NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619548 |
5lbj   |
34011 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5lbj
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 810
_Distance_constraint_stats_list.Viol_count 972
_Distance_constraint_stats_list.Viol_total 482.199
_Distance_constraint_stats_list.Viol_max 0.167
_Distance_constraint_stats_list.Viol_rms 0.0080
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0015
_Distance_constraint_stats_list.Viol_average_violations_only 0.0248
_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 MET 0.824 0.134 5 0 "[ . 1 . 2]"
1 2 THR 2.168 0.064 4 0 "[ . 1 . 2]"
1 3 PHE 2.147 0.064 4 0 "[ . 1 . 2]"
1 4 ALA 0.243 0.029 12 0 "[ . 1 . 2]"
1 5 GLU 0.534 0.049 20 0 "[ . 1 . 2]"
1 6 LEU 1.543 0.063 16 0 "[ . 1 . 2]"
1 7 GLY 0.962 0.048 6 0 "[ . 1 . 2]"
1 8 MET 1.022 0.051 2 0 "[ . 1 . 2]"
1 9 ALA 0.276 0.024 1 0 "[ . 1 . 2]"
1 10 PHE 2.316 0.063 16 0 "[ . 1 . 2]"
1 11 TRP 2.974 0.051 2 0 "[ . 1 . 2]"
1 12 HIS 0.496 0.024 1 0 "[ . 1 . 2]"
1 13 ASP 1.384 0.066 10 0 "[ . 1 . 2]"
1 14 LEU 5.297 0.127 19 0 "[ . 1 . 2]"
1 15 ALA 1.258 0.044 14 0 "[ . 1 . 2]"
1 16 ALA 1.534 0.066 10 0 "[ . 1 . 2]"
1 17 PRO 0.674 0.027 16 0 "[ . 1 . 2]"
1 18 VAL 3.090 0.108 17 0 "[ . 1 . 2]"
1 19 ILE 0.986 0.045 6 0 "[ . 1 . 2]"
1 20 ALA 0.603 0.045 17 0 "[ . 1 . 2]"
1 21 GLY 0.037 0.018 6 0 "[ . 1 . 2]"
1 22 ILE 0.352 0.032 9 0 "[ . 1 . 2]"
1 23 LEU 0.845 0.045 17 0 "[ . 1 . 2]"
1 24 ALA 0.670 0.053 2 0 "[ . 1 . 2]"
1 25 SER 0.497 0.036 19 0 "[ . 1 . 2]"
1 26 MET 1.209 0.167 3 0 "[ . 1 . 2]"
1 27 ILE 0.387 0.042 4 0 "[ . 1 . 2]"
1 28 VAL 1.046 0.053 2 0 "[ . 1 . 2]"
1 29 ASN 0.923 0.167 3 0 "[ . 1 . 2]"
1 30 TRP 1.023 0.090 6 0 "[ . 1 . 2]"
1 31 LEU 2.977 0.097 5 0 "[ . 1 . 2]"
1 32 ASN 0.411 0.044 3 0 "[ . 1 . 2]"
1 33 LYS 0.639 0.084 7 0 "[ . 1 . 2]"
1 34 ARG 0.974 0.094 6 0 "[ . 1 . 2]"
1 35 LYS 0.199 0.030 18 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 1 MET HA 1 1 MET ME 4.250 . 4.250 3.629 2.422 4.335 0.085 15 0 "[ . 1 . 2]" 1
2 1 1 MET HA 1 2 THR H 2.990 . 2.990 2.367 2.196 2.706 . 0 0 "[ . 1 . 2]" 1
3 1 1 MET HA 1 2 THR HA 4.740 . 4.740 4.355 4.307 4.400 . 0 0 "[ . 1 . 2]" 1
4 1 1 MET HA 1 2 THR MG 4.810 . 4.810 4.598 4.271 4.866 0.056 11 0 "[ . 1 . 2]" 1
5 1 1 MET HA 1 5 GLU HB2 5.500 . 5.500 5.438 4.825 5.531 0.031 13 0 "[ . 1 . 2]" 1
6 1 1 MET QB 1 1 MET ME 3.400 . 3.400 2.062 1.841 3.534 0.134 5 0 "[ . 1 . 2]" 1
7 1 1 MET QB 1 2 THR H 3.450 . 3.450 2.999 1.861 3.506 0.056 13 0 "[ . 1 . 2]" 1
8 1 1 MET QB 1 2 THR HA 5.230 . 5.230 4.613 4.383 4.879 . 0 0 "[ . 1 . 2]" 1
9 1 1 MET QB 1 2 THR MG 5.500 . 5.500 5.291 4.834 5.540 0.040 20 0 "[ . 1 . 2]" 1
10 1 1 MET QB 1 6 LEU QD 4.310 . 4.310 3.722 2.800 4.285 . 0 0 "[ . 1 . 2]" 1
11 1 1 MET QG 1 2 THR H 4.270 . 4.270 2.678 1.985 3.877 . 0 0 "[ . 1 . 2]" 1
12 1 1 MET QG 1 6 LEU H 5.170 . 5.170 4.469 3.635 5.190 0.020 3 0 "[ . 1 . 2]" 1
13 1 1 MET QG 1 6 LEU QD 4.220 . 4.220 2.896 1.977 3.580 . 0 0 "[ . 1 . 2]" 1
14 1 1 MET HG2 1 2 THR H 4.890 . 4.890 3.487 2.064 4.873 . 0 0 "[ . 1 . 2]" 1
15 1 1 MET HG3 1 2 THR H 4.890 . 4.890 2.975 2.121 4.337 . 0 0 "[ . 1 . 2]" 1
16 1 2 THR H 1 2 THR HB 4.110 . 4.110 3.345 3.165 3.512 . 0 0 "[ . 1 . 2]" 1
17 1 2 THR H 1 2 THR MG 3.610 . 3.610 3.419 3.011 3.638 0.028 14 0 "[ . 1 . 2]" 1
18 1 2 THR H 1 3 PHE H 4.840 . 4.840 4.476 4.348 4.585 . 0 0 "[ . 1 . 2]" 1
19 1 2 THR H 1 5 GLU H 4.740 . 4.740 4.552 4.133 4.755 0.015 5 0 "[ . 1 . 2]" 1
20 1 2 THR H 1 5 GLU HB2 3.640 . 3.640 3.301 2.780 3.576 . 0 0 "[ . 1 . 2]" 1
21 1 2 THR H 1 5 GLU HG2 4.910 . 4.910 4.631 4.155 4.945 0.035 20 0 "[ . 1 . 2]" 1
22 1 2 THR H 1 5 GLU HG3 4.910 . 4.910 4.266 3.542 4.790 . 0 0 "[ . 1 . 2]" 1
23 1 2 THR H 1 6 LEU H 4.950 . 4.950 4.720 4.445 4.969 0.019 19 0 "[ . 1 . 2]" 1
24 1 2 THR HA 1 2 THR HB 3.000 . 3.000 2.799 2.707 2.883 . 0 0 "[ . 1 . 2]" 1
25 1 2 THR HA 1 2 THR MG 3.130 . 3.130 2.154 2.137 2.179 . 0 0 "[ . 1 . 2]" 1
26 1 2 THR HA 1 3 PHE H 2.840 . 2.840 2.152 2.128 2.209 . 0 0 "[ . 1 . 2]" 1
27 1 2 THR HA 1 3 PHE HA 5.070 . 5.070 4.346 4.324 4.376 . 0 0 "[ . 1 . 2]" 1
28 1 2 THR HA 1 3 PHE HB2 5.450 . 5.450 4.285 4.269 4.323 . 0 0 "[ . 1 . 2]" 1
29 1 2 THR HA 1 3 PHE HB3 5.300 . 5.300 4.967 4.917 5.027 . 0 0 "[ . 1 . 2]" 1
30 1 2 THR HA 1 3 PHE QD 5.500 . 5.500 5.537 5.499 5.564 0.064 4 0 "[ . 1 . 2]" 1
31 1 2 THR HA 1 4 ALA H 4.310 . 4.310 3.854 3.733 4.007 . 0 0 "[ . 1 . 2]" 1
32 1 2 THR HA 1 5 GLU H 4.820 . 4.820 4.393 4.323 4.457 . 0 0 "[ . 1 . 2]" 1
33 1 2 THR HB 1 3 PHE H 3.590 . 3.590 3.453 3.330 3.587 . 0 0 "[ . 1 . 2]" 1
34 1 2 THR HB 1 3 PHE HA 4.900 . 4.900 4.795 4.754 4.855 . 0 0 "[ . 1 . 2]" 1
35 1 2 THR HB 1 4 ALA H 3.410 . 3.410 2.883 2.787 3.040 . 0 0 "[ . 1 . 2]" 1
36 1 2 THR HB 1 4 ALA HA 5.100 . 5.100 5.017 4.910 5.093 . 0 0 "[ . 1 . 2]" 1
37 1 2 THR HB 1 4 ALA MB 4.270 . 4.270 3.125 2.978 3.224 . 0 0 "[ . 1 . 2]" 1
38 1 2 THR HB 1 5 GLU H 4.390 . 4.390 2.020 1.946 2.068 . 0 0 "[ . 1 . 2]" 1
39 1 2 THR HB 1 6 LEU H 5.180 . 5.180 3.922 3.817 4.060 . 0 0 "[ . 1 . 2]" 1
40 1 2 THR HB 1 7 GLY H 5.500 . 5.500 5.524 5.479 5.548 0.048 6 0 "[ . 1 . 2]" 1
41 1 2 THR MG 1 3 PHE H 3.890 . 3.890 3.095 2.678 3.487 . 0 0 "[ . 1 . 2]" 1
42 1 2 THR MG 1 4 ALA H 4.190 . 4.190 3.314 2.879 3.750 . 0 0 "[ . 1 . 2]" 1
43 1 2 THR MG 1 4 ALA MB 3.820 . 3.820 3.373 3.094 3.679 . 0 0 "[ . 1 . 2]" 1
44 1 2 THR MG 1 5 GLU H 4.160 . 4.160 3.630 3.503 3.726 . 0 0 "[ . 1 . 2]" 1
45 1 2 THR MG 1 5 GLU HA 5.500 . 5.500 5.497 5.330 5.535 0.035 18 0 "[ . 1 . 2]" 1
46 1 2 THR MG 1 5 GLU HB2 4.760 . 4.760 4.136 3.899 4.404 . 0 0 "[ . 1 . 2]" 1
47 1 2 THR MG 1 5 GLU HB3 5.500 . 5.500 5.262 4.964 5.549 0.049 20 0 "[ . 1 . 2]" 1
48 1 2 THR MG 1 5 GLU HG2 5.000 . 5.000 3.200 2.913 4.585 . 0 0 "[ . 1 . 2]" 1
49 1 2 THR MG 1 5 GLU QG 4.300 . 4.300 2.989 2.748 3.187 . 0 0 "[ . 1 . 2]" 1
50 1 2 THR MG 1 5 GLU HG3 5.000 . 5.000 3.732 3.249 4.084 . 0 0 "[ . 1 . 2]" 1
51 1 3 PHE H 1 3 PHE HB2 3.330 . 3.330 2.256 2.215 2.287 . 0 0 "[ . 1 . 2]" 1
52 1 3 PHE H 1 3 PHE HB3 3.410 . 3.410 2.842 2.798 2.923 . 0 0 "[ . 1 . 2]" 1
53 1 3 PHE H 1 3 PHE QD 3.950 . 3.950 3.961 3.882 3.999 0.049 4 0 "[ . 1 . 2]" 1
54 1 3 PHE H 1 4 ALA H 3.180 . 3.180 2.614 2.595 2.639 . 0 0 "[ . 1 . 2]" 1
55 1 3 PHE H 1 4 ALA HA 5.340 . 5.340 5.230 5.214 5.251 . 0 0 "[ . 1 . 2]" 1
56 1 3 PHE H 1 4 ALA MB 4.410 . 4.410 4.310 4.284 4.339 . 0 0 "[ . 1 . 2]" 1
57 1 3 PHE H 1 5 GLU H 4.400 . 4.400 4.213 4.094 4.273 . 0 0 "[ . 1 . 2]" 1
58 1 3 PHE HA 1 3 PHE QD 3.640 . 3.640 2.377 2.234 2.478 . 0 0 "[ . 1 . 2]" 1
59 1 3 PHE HA 1 3 PHE QE 4.260 . 4.260 4.291 4.257 4.315 0.055 7 0 "[ . 1 . 2]" 1
60 1 3 PHE HA 1 4 ALA MB 5.140 . 5.140 5.015 5.009 5.024 . 0 0 "[ . 1 . 2]" 1
61 1 3 PHE HA 1 5 GLU H 5.120 . 5.120 4.432 4.238 4.517 . 0 0 "[ . 1 . 2]" 1
62 1 3 PHE HA 1 5 GLU HB2 5.500 . 5.500 5.344 5.094 5.501 0.001 10 0 "[ . 1 . 2]" 1
63 1 3 PHE HA 1 6 LEU H 3.830 . 3.830 3.440 3.377 3.483 . 0 0 "[ . 1 . 2]" 1
64 1 3 PHE HA 1 6 LEU HA 5.500 . 5.500 5.520 5.480 5.539 0.039 14 0 "[ . 1 . 2]" 1
65 1 3 PHE HA 1 6 LEU HB2 3.890 . 3.890 3.794 3.697 3.890 . 0 0 "[ . 1 . 2]" 1
66 1 3 PHE HA 1 6 LEU HB3 3.840 . 3.840 2.910 2.770 3.006 . 0 0 "[ . 1 . 2]" 1
67 1 3 PHE HA 1 6 LEU MD1 4.480 . 4.480 4.381 4.246 4.487 0.007 3 0 "[ . 1 . 2]" 1
68 1 3 PHE HA 1 6 LEU QD 3.920 . 3.920 3.721 3.542 3.872 . 0 0 "[ . 1 . 2]" 1
69 1 3 PHE HA 1 6 LEU MD2 4.480 . 4.480 4.027 3.793 4.231 . 0 0 "[ . 1 . 2]" 1
70 1 3 PHE HA 1 7 GLY H 4.440 . 4.440 4.190 4.060 4.317 . 0 0 "[ . 1 . 2]" 1
71 1 3 PHE HB2 1 4 ALA H 4.020 . 4.020 3.724 3.686 3.758 . 0 0 "[ . 1 . 2]" 1
72 1 3 PHE HB2 1 4 ALA MB 5.500 . 5.500 5.137 5.087 5.174 . 0 0 "[ . 1 . 2]" 1
73 1 3 PHE HB3 1 4 ALA H 4.010 . 4.010 2.811 2.752 2.872 . 0 0 "[ . 1 . 2]" 1
74 1 3 PHE HB3 1 4 ALA HA 4.910 . 4.910 4.035 4.004 4.068 . 0 0 "[ . 1 . 2]" 1
75 1 3 PHE HB3 1 4 ALA MB 5.400 . 5.400 3.970 3.924 4.003 . 0 0 "[ . 1 . 2]" 1
76 1 3 PHE HB3 1 5 GLU H 5.500 . 5.500 5.158 5.053 5.230 . 0 0 "[ . 1 . 2]" 1
77 1 3 PHE QD 1 4 ALA H 4.530 . 4.530 4.383 4.319 4.460 . 0 0 "[ . 1 . 2]" 1
78 1 3 PHE QD 1 4 ALA HA 4.770 . 4.770 4.375 4.307 4.463 . 0 0 "[ . 1 . 2]" 1
79 1 3 PHE QD 1 4 ALA MB 4.890 . 4.890 4.776 4.682 4.876 . 0 0 "[ . 1 . 2]" 1
80 1 3 PHE QD 1 6 LEU HB2 5.340 . 5.340 5.214 5.012 5.344 0.004 13 0 "[ . 1 . 2]" 1
81 1 3 PHE QD 1 6 LEU HB3 5.130 . 5.130 4.160 3.935 4.343 . 0 0 "[ . 1 . 2]" 1
82 1 3 PHE QD 1 6 LEU MD1 4.880 . 4.880 4.689 4.473 4.824 . 0 0 "[ . 1 . 2]" 1
83 1 3 PHE QD 1 6 LEU QD 4.090 . 4.090 3.845 3.589 4.004 . 0 0 "[ . 1 . 2]" 1
84 1 3 PHE QD 1 6 LEU MD2 4.880 . 4.880 4.088 3.777 4.292 . 0 0 "[ . 1 . 2]" 1
85 1 3 PHE QD 1 7 GLY H 5.380 . 5.380 5.275 5.168 5.384 0.004 5 0 "[ . 1 . 2]" 1
86 1 3 PHE QE 1 6 LEU HB3 5.500 . 5.500 5.070 4.877 5.188 . 0 0 "[ . 1 . 2]" 1
87 1 3 PHE QE 1 6 LEU MD1 5.390 . 5.390 5.215 4.913 5.387 . 0 0 "[ . 1 . 2]" 1
88 1 3 PHE QE 1 6 LEU QD 4.490 . 4.490 3.850 3.599 4.130 . 0 0 "[ . 1 . 2]" 1
89 1 3 PHE QE 1 6 LEU MD2 5.390 . 5.390 3.966 3.687 4.292 . 0 0 "[ . 1 . 2]" 1
90 1 4 ALA H 1 4 ALA MB 2.730 . 2.730 2.245 2.238 2.251 . 0 0 "[ . 1 . 2]" 1
91 1 4 ALA H 1 5 GLU H 3.130 . 3.130 2.592 2.560 2.612 . 0 0 "[ . 1 . 2]" 1
92 1 4 ALA H 1 5 GLU HA 5.430 . 5.430 5.216 5.188 5.238 . 0 0 "[ . 1 . 2]" 1
93 1 4 ALA H 1 6 LEU H 4.450 . 4.450 3.958 3.833 4.159 . 0 0 "[ . 1 . 2]" 1
94 1 4 ALA MB 1 5 GLU H 3.280 . 3.280 2.537 2.503 2.622 . 0 0 "[ . 1 . 2]" 1
95 1 4 ALA MB 1 5 GLU HA 4.340 . 4.340 3.836 3.822 3.854 . 0 0 "[ . 1 . 2]" 1
96 1 4 ALA MB 1 5 GLU HB2 5.390 . 5.390 4.527 4.486 4.613 . 0 0 "[ . 1 . 2]" 1
97 1 4 ALA MB 1 5 GLU HB3 5.310 . 5.310 5.261 5.227 5.313 0.003 20 0 "[ . 1 . 2]" 1
98 1 4 ALA MB 1 5 GLU HG2 5.240 . 5.240 3.345 3.238 4.072 . 0 0 "[ . 1 . 2]" 1
99 1 4 ALA MB 1 5 GLU QG 4.490 . 4.490 3.260 3.190 3.361 . 0 0 "[ . 1 . 2]" 1
100 1 4 ALA MB 1 5 GLU HG3 5.240 . 5.240 4.802 3.581 4.948 . 0 0 "[ . 1 . 2]" 1
101 1 4 ALA MB 1 6 LEU H 4.600 . 4.600 4.431 4.277 4.610 0.010 3 0 "[ . 1 . 2]" 1
102 1 4 ALA MB 1 7 GLY H 4.980 . 4.980 4.329 4.214 4.422 . 0 0 "[ . 1 . 2]" 1
103 1 4 ALA MB 1 8 MET H 5.300 . 5.300 5.010 4.941 5.083 . 0 0 "[ . 1 . 2]" 1
104 1 4 ALA MB 1 8 MET ME 4.600 . 4.600 4.397 4.106 4.578 . 0 0 "[ . 1 . 2]" 1
105 1 4 ALA MB 1 8 MET HG2 5.500 . 5.500 4.646 4.533 4.765 . 0 0 "[ . 1 . 2]" 1
106 1 4 ALA MB 1 8 MET QG 4.790 . 4.790 4.413 4.322 4.499 . 0 0 "[ . 1 . 2]" 1
107 1 4 ALA MB 1 8 MET HG3 5.500 . 5.500 5.509 5.451 5.529 0.029 12 0 "[ . 1 . 2]" 1
108 1 5 GLU H 1 5 GLU HB2 3.440 . 3.440 2.420 2.384 2.501 . 0 0 "[ . 1 . 2]" 1
109 1 5 GLU H 1 5 GLU HB3 3.710 . 3.710 3.587 3.577 3.595 . 0 0 "[ . 1 . 2]" 1
110 1 5 GLU H 1 5 GLU HG2 3.960 . 3.960 2.415 2.207 3.343 . 0 0 "[ . 1 . 2]" 1
111 1 5 GLU H 1 5 GLU HG3 3.960 . 3.960 3.668 2.503 3.768 . 0 0 "[ . 1 . 2]" 1
112 1 5 GLU H 1 6 LEU H 3.130 . 3.130 2.572 2.541 2.626 . 0 0 "[ . 1 . 2]" 1
113 1 5 GLU H 1 6 LEU HB3 5.500 . 5.500 5.026 4.929 5.103 . 0 0 "[ . 1 . 2]" 1
114 1 5 GLU H 1 7 GLY H 4.510 . 4.510 3.709 3.629 3.779 . 0 0 "[ . 1 . 2]" 1
115 1 5 GLU HA 1 5 GLU HG2 3.820 . 3.820 2.989 2.365 3.104 . 0 0 "[ . 1 . 2]" 1
116 1 5 GLU HA 1 5 GLU HG3 3.820 . 3.820 3.693 3.238 3.748 . 0 0 "[ . 1 . 2]" 1
117 1 5 GLU HA 1 8 MET H 4.260 . 4.260 4.091 3.955 4.230 . 0 0 "[ . 1 . 2]" 1
118 1 5 GLU HA 1 8 MET HB2 4.580 . 4.580 4.333 4.170 4.493 . 0 0 "[ . 1 . 2]" 1
119 1 5 GLU HA 1 8 MET HG2 5.120 . 5.120 4.510 4.203 4.704 . 0 0 "[ . 1 . 2]" 1
120 1 5 GLU HA 1 8 MET QG 4.470 . 4.470 4.194 3.962 4.335 . 0 0 "[ . 1 . 2]" 1
121 1 5 GLU HA 1 8 MET HG3 5.120 . 5.120 4.991 4.847 5.126 0.006 18 0 "[ . 1 . 2]" 1
122 1 5 GLU HB2 1 6 LEU H 3.940 . 3.940 2.785 2.552 2.961 . 0 0 "[ . 1 . 2]" 1
123 1 5 GLU HB2 1 6 LEU HA 4.900 . 4.900 4.507 4.407 4.608 . 0 0 "[ . 1 . 2]" 1
124 1 5 GLU HB2 1 6 LEU QD 5.420 . 5.420 5.030 4.921 5.096 . 0 0 "[ . 1 . 2]" 1
125 1 5 GLU HB3 1 6 LEU H 3.990 . 3.990 3.717 3.558 3.816 . 0 0 "[ . 1 . 2]" 1
126 1 5 GLU HB3 1 9 ALA MB 5.500 . 5.500 5.179 4.952 5.465 . 0 0 "[ . 1 . 2]" 1
127 1 5 GLU QG 1 6 LEU H 4.520 . 4.520 4.167 4.043 4.272 . 0 0 "[ . 1 . 2]" 1
128 1 5 GLU HG2 1 6 LEU H 5.310 . 5.310 4.450 4.300 4.888 . 0 0 "[ . 1 . 2]" 1
129 1 5 GLU HG3 1 6 LEU H 5.310 . 5.310 5.063 4.394 5.237 . 0 0 "[ . 1 . 2]" 1
130 1 6 LEU H 1 6 LEU HB2 3.220 . 3.220 2.524 2.403 2.619 . 0 0 "[ . 1 . 2]" 1
131 1 6 LEU H 1 6 LEU HB3 3.370 . 3.370 2.644 2.570 2.723 . 0 0 "[ . 1 . 2]" 1
132 1 6 LEU H 1 6 LEU MD1 4.330 . 4.330 4.249 4.159 4.312 . 0 0 "[ . 1 . 2]" 1
133 1 6 LEU H 1 6 LEU MD2 4.330 . 4.330 4.242 4.168 4.301 . 0 0 "[ . 1 . 2]" 1
134 1 6 LEU H 1 6 LEU HG 4.670 . 4.670 4.465 4.412 4.500 . 0 0 "[ . 1 . 2]" 1
135 1 6 LEU H 1 7 GLY H 3.230 . 3.230 2.300 2.177 2.414 . 0 0 "[ . 1 . 2]" 1
136 1 6 LEU H 1 7 GLY HA2 4.950 . 4.950 4.834 4.723 4.933 . 0 0 "[ . 1 . 2]" 1
137 1 6 LEU H 1 8 MET H 4.800 . 4.800 4.522 4.384 4.660 . 0 0 "[ . 1 . 2]" 1
138 1 6 LEU H 1 9 ALA MB 5.350 . 5.350 5.035 4.891 5.233 . 0 0 "[ . 1 . 2]" 1
139 1 6 LEU HA 1 6 LEU QD 3.520 . 3.520 3.011 2.965 3.041 . 0 0 "[ . 1 . 2]" 1
140 1 6 LEU HA 1 10 PHE H 4.070 . 4.070 3.690 3.608 3.773 . 0 0 "[ . 1 . 2]" 1
141 1 6 LEU HA 1 10 PHE QB 4.880 . 4.880 4.219 4.144 4.307 . 0 0 "[ . 1 . 2]" 1
142 1 6 LEU HB2 1 6 LEU MD1 3.500 . 3.500 2.152 2.137 2.161 . 0 0 "[ . 1 . 2]" 1
143 1 6 LEU HB2 1 6 LEU QD 3.050 . 3.050 2.114 2.100 2.121 . 0 0 "[ . 1 . 2]" 1
144 1 6 LEU HB2 1 6 LEU MD2 3.500 . 3.500 3.087 3.075 3.112 . 0 0 "[ . 1 . 2]" 1
145 1 6 LEU HB2 1 7 GLY H 4.100 . 4.100 4.072 4.009 4.108 0.008 8 0 "[ . 1 . 2]" 1
146 1 6 LEU HB2 1 9 ALA MB 4.940 . 4.940 4.794 4.657 4.897 . 0 0 "[ . 1 . 2]" 1
147 1 6 LEU HB3 1 6 LEU MD1 3.280 . 3.280 2.727 2.673 2.757 . 0 0 "[ . 1 . 2]" 1
148 1 6 LEU HB3 1 6 LEU QD 2.870 . 2.870 2.075 2.036 2.096 . 0 0 "[ . 1 . 2]" 1
149 1 6 LEU HB3 1 6 LEU MD2 3.280 . 3.280 2.152 2.111 2.178 . 0 0 "[ . 1 . 2]" 1
150 1 6 LEU HB3 1 7 GLY H 3.920 . 3.920 3.252 3.226 3.272 . 0 0 "[ . 1 . 2]" 1
151 1 6 LEU HB3 1 10 PHE QB 5.080 . 5.080 4.332 4.264 4.415 . 0 0 "[ . 1 . 2]" 1
152 1 6 LEU HB3 1 10 PHE QD 5.500 . 5.500 5.549 5.529 5.563 0.063 16 0 "[ . 1 . 2]" 1
153 1 6 LEU QD 1 7 GLY H 4.380 . 4.380 3.922 3.826 4.007 . 0 0 "[ . 1 . 2]" 1
154 1 6 LEU QD 1 9 ALA MB 4.020 . 4.020 3.754 3.638 3.861 . 0 0 "[ . 1 . 2]" 1
155 1 6 LEU QD 1 10 PHE H 3.940 . 3.940 3.431 3.285 3.590 . 0 0 "[ . 1 . 2]" 1
156 1 6 LEU QD 1 10 PHE QD 4.540 . 4.540 3.270 3.117 3.336 . 0 0 "[ . 1 . 2]" 1
157 1 6 LEU QD 1 10 PHE QE 4.950 . 4.950 4.599 4.473 4.644 . 0 0 "[ . 1 . 2]" 1
158 1 6 LEU QD 1 14 LEU MD2 5.440 . 5.440 5.396 5.311 5.449 0.009 15 0 "[ . 1 . 2]" 1
159 1 6 LEU MD1 1 10 PHE QD 5.500 . 5.500 5.457 5.252 5.518 0.018 19 0 "[ . 1 . 2]" 1
160 1 6 LEU MD2 1 10 PHE QD 5.500 . 5.500 3.296 3.140 3.363 . 0 0 "[ . 1 . 2]" 1
161 1 6 LEU HG 1 10 PHE QD 5.500 . 5.500 5.321 5.083 5.496 . 0 0 "[ . 1 . 2]" 1
162 1 7 GLY H 1 8 MET H 3.260 . 3.260 2.699 2.643 2.767 . 0 0 "[ . 1 . 2]" 1
163 1 7 GLY H 1 8 MET QG 5.340 . 5.340 4.361 4.243 4.473 . 0 0 "[ . 1 . 2]" 1
164 1 7 GLY H 1 10 PHE QB 5.290 . 5.290 4.676 4.623 4.743 . 0 0 "[ . 1 . 2]" 1
165 1 7 GLY HA2 1 10 PHE H 4.230 . 4.230 3.859 3.773 3.916 . 0 0 "[ . 1 . 2]" 1
166 1 7 GLY HA2 1 10 PHE QB 4.330 . 4.330 2.942 2.838 3.088 . 0 0 "[ . 1 . 2]" 1
167 1 7 GLY HA2 1 11 TRP H 4.410 . 4.410 3.805 3.788 3.826 . 0 0 "[ . 1 . 2]" 1
168 1 7 GLY HA3 1 10 PHE H 5.170 . 5.170 4.905 4.844 4.952 . 0 0 "[ . 1 . 2]" 1
169 1 7 GLY HA3 1 11 TRP H 4.780 . 4.780 4.802 4.786 4.824 0.044 6 0 "[ . 1 . 2]" 1
170 1 8 MET H 1 8 MET HB2 3.310 . 3.310 2.460 2.415 2.505 . 0 0 "[ . 1 . 2]" 1
171 1 8 MET H 1 8 MET HB3 3.750 . 3.750 3.591 3.585 3.598 . 0 0 "[ . 1 . 2]" 1
172 1 8 MET H 1 8 MET HG2 3.930 . 3.930 2.267 2.161 2.359 . 0 0 "[ . 1 . 2]" 1
173 1 8 MET H 1 8 MET HG3 3.930 . 3.930 3.646 3.566 3.722 . 0 0 "[ . 1 . 2]" 1
174 1 8 MET H 1 9 ALA H 3.450 . 3.450 2.638 2.557 2.711 . 0 0 "[ . 1 . 2]" 1
175 1 8 MET H 1 11 TRP H 5.090 . 5.090 4.633 4.599 4.688 . 0 0 "[ . 1 . 2]" 1
176 1 8 MET H 1 11 TRP HD1 5.080 . 5.080 4.680 4.466 4.864 . 0 0 "[ . 1 . 2]" 1
177 1 8 MET HA 1 8 MET ME 4.550 . 4.550 4.009 3.895 4.094 . 0 0 "[ . 1 . 2]" 1
178 1 8 MET HA 1 8 MET HG2 3.890 . 3.890 3.028 2.978 3.107 . 0 0 "[ . 1 . 2]" 1
179 1 8 MET HA 1 8 MET HG3 3.890 . 3.890 3.748 3.714 3.770 . 0 0 "[ . 1 . 2]" 1
180 1 8 MET HA 1 9 ALA HA 5.500 . 5.500 4.786 4.764 4.800 . 0 0 "[ . 1 . 2]" 1
181 1 8 MET HA 1 9 ALA MB 5.050 . 5.050 5.036 5.027 5.043 . 0 0 "[ . 1 . 2]" 1
182 1 8 MET HA 1 10 PHE H 4.930 . 4.930 4.541 4.460 4.594 . 0 0 "[ . 1 . 2]" 1
183 1 8 MET HA 1 11 TRP H 4.100 . 4.100 3.613 3.578 3.667 . 0 0 "[ . 1 . 2]" 1
184 1 8 MET HA 1 11 TRP HA 5.500 . 5.500 5.534 5.516 5.551 0.051 2 0 "[ . 1 . 2]" 1
185 1 8 MET HA 1 11 TRP HB2 3.860 . 3.860 2.707 2.678 2.742 . 0 0 "[ . 1 . 2]" 1
186 1 8 MET HA 1 11 TRP HB3 4.040 . 4.040 4.026 3.981 4.052 0.012 15 0 "[ . 1 . 2]" 1
187 1 8 MET HA 1 11 TRP HD1 4.220 . 4.220 3.896 3.783 3.973 . 0 0 "[ . 1 . 2]" 1
188 1 8 MET HA 1 12 HIS HD1 5.240 . 5.240 3.290 3.172 3.454 . 0 0 "[ . 1 . 2]" 1
189 1 8 MET HA 1 12 HIS HE1 4.880 . 4.880 3.644 3.415 3.755 . 0 0 "[ . 1 . 2]" 1
190 1 8 MET HB2 1 8 MET ME 4.320 . 4.320 4.294 4.283 4.300 . 0 0 "[ . 1 . 2]" 1
191 1 8 MET HB2 1 9 ALA H 3.880 . 3.880 2.552 2.402 2.669 . 0 0 "[ . 1 . 2]" 1
192 1 8 MET HB2 1 9 ALA HA 4.940 . 4.940 4.300 4.236 4.369 . 0 0 "[ . 1 . 2]" 1
193 1 8 MET HB3 1 9 ALA H 3.910 . 3.910 3.577 3.480 3.674 . 0 0 "[ . 1 . 2]" 1
194 1 8 MET HB3 1 9 ALA MB 5.500 . 5.500 4.735 4.649 4.795 . 0 0 "[ . 1 . 2]" 1
195 1 8 MET HB3 1 12 HIS HE1 4.680 . 4.680 3.642 3.497 3.769 . 0 0 "[ . 1 . 2]" 1
196 1 8 MET ME 1 12 HIS HE1 4.510 . 4.510 4.444 4.287 4.531 0.021 19 0 "[ . 1 . 2]" 1
197 1 8 MET QG 1 9 ALA H 4.570 . 4.570 4.024 3.936 4.110 . 0 0 "[ . 1 . 2]" 1
198 1 8 MET QG 1 12 HIS HE1 4.760 . 4.760 4.632 4.525 4.727 . 0 0 "[ . 1 . 2]" 1
199 1 8 MET HG2 1 12 HIS HE1 5.470 . 5.470 5.432 5.287 5.480 0.010 12 0 "[ . 1 . 2]" 1
200 1 8 MET HG3 1 12 HIS HE1 5.470 . 5.470 5.023 4.909 5.169 . 0 0 "[ . 1 . 2]" 1
201 1 9 ALA H 1 9 ALA HA 2.880 . 2.880 2.812 2.795 2.829 . 0 0 "[ . 1 . 2]" 1
202 1 9 ALA H 1 9 ALA MB 2.770 . 2.770 2.234 2.219 2.242 . 0 0 "[ . 1 . 2]" 1
203 1 9 ALA H 1 10 PHE H 3.190 . 3.190 2.700 2.626 2.771 . 0 0 "[ . 1 . 2]" 1
204 1 9 ALA H 1 10 PHE HA 5.500 . 5.500 5.308 5.251 5.359 . 0 0 "[ . 1 . 2]" 1
205 1 9 ALA H 1 10 PHE HB2 5.500 . 5.500 5.371 5.297 5.460 . 0 0 "[ . 1 . 2]" 1
206 1 9 ALA H 1 10 PHE HB3 5.500 . 5.500 4.709 4.631 4.813 . 0 0 "[ . 1 . 2]" 1
207 1 9 ALA H 1 11 TRP H 4.460 . 4.460 4.203 4.118 4.316 . 0 0 "[ . 1 . 2]" 1
208 1 9 ALA H 1 12 HIS QB 4.880 . 4.880 4.887 4.856 4.904 0.024 1 0 "[ . 1 . 2]" 1
209 1 9 ALA HA 1 10 PHE HA 4.890 . 4.890 4.748 4.734 4.756 . 0 0 "[ . 1 . 2]" 1
210 1 9 ALA HA 1 11 TRP H 5.020 . 5.020 4.699 4.603 4.777 . 0 0 "[ . 1 . 2]" 1
211 1 9 ALA HA 1 12 HIS QB 3.440 . 3.440 2.880 2.814 2.925 . 0 0 "[ . 1 . 2]" 1
212 1 9 ALA HA 1 13 ASP H 4.140 . 4.140 4.033 3.945 4.154 0.014 5 0 "[ . 1 . 2]" 1
213 1 9 ALA HA 1 13 ASP HB2 4.940 . 4.940 4.647 4.490 4.804 . 0 0 "[ . 1 . 2]" 1
214 1 9 ALA MB 1 10 PHE H 3.100 . 3.100 2.476 2.443 2.529 . 0 0 "[ . 1 . 2]" 1
215 1 9 ALA MB 1 10 PHE HA 4.100 . 4.100 3.825 3.815 3.841 . 0 0 "[ . 1 . 2]" 1
216 1 9 ALA MB 1 10 PHE HB2 4.990 . 4.990 4.076 4.044 4.123 . 0 0 "[ . 1 . 2]" 1
217 1 9 ALA MB 1 10 PHE QB 4.330 . 4.330 3.725 3.698 3.765 . 0 0 "[ . 1 . 2]" 1
218 1 9 ALA MB 1 10 PHE HB3 4.990 . 4.990 4.309 4.269 4.361 . 0 0 "[ . 1 . 2]" 1
219 1 9 ALA MB 1 11 TRP H 4.820 . 4.820 4.588 4.543 4.663 . 0 0 "[ . 1 . 2]" 1
220 1 9 ALA MB 1 12 HIS H 5.120 . 5.120 4.803 4.762 4.831 . 0 0 "[ . 1 . 2]" 1
221 1 9 ALA MB 1 12 HIS QB 4.320 . 4.320 4.293 4.240 4.336 0.016 20 0 "[ . 1 . 2]" 1
222 1 9 ALA MB 1 13 ASP H 4.940 . 4.940 4.655 4.592 4.744 . 0 0 "[ . 1 . 2]" 1
223 1 10 PHE H 1 10 PHE HB2 3.270 . 3.270 2.783 2.763 2.794 . 0 0 "[ . 1 . 2]" 1
224 1 10 PHE H 1 10 PHE HB3 3.270 . 3.270 2.294 2.285 2.314 . 0 0 "[ . 1 . 2]" 1
225 1 10 PHE H 1 10 PHE QD 4.340 . 4.340 4.138 4.130 4.151 . 0 0 "[ . 1 . 2]" 1
226 1 10 PHE H 1 11 TRP H 3.300 . 3.300 2.651 2.615 2.675 . 0 0 "[ . 1 . 2]" 1
227 1 10 PHE H 1 11 TRP HA 5.460 . 5.460 5.251 5.226 5.266 . 0 0 "[ . 1 . 2]" 1
228 1 10 PHE H 1 11 TRP HB2 5.420 . 5.420 4.537 4.513 4.561 . 0 0 "[ . 1 . 2]" 1
229 1 10 PHE H 1 12 HIS H 4.470 . 4.470 4.112 4.068 4.142 . 0 0 "[ . 1 . 2]" 1
230 1 10 PHE H 1 12 HIS QB 5.500 . 5.500 5.002 4.964 5.047 . 0 0 "[ . 1 . 2]" 1
231 1 10 PHE H 1 13 ASP H 4.860 . 4.860 4.636 4.602 4.683 . 0 0 "[ . 1 . 2]" 1
232 1 10 PHE HA 1 10 PHE QD 3.540 . 3.540 2.390 2.360 2.428 . 0 0 "[ . 1 . 2]" 1
233 1 10 PHE HA 1 10 PHE QE 4.630 . 4.630 4.639 4.626 4.650 0.020 18 0 "[ . 1 . 2]" 1
234 1 10 PHE HA 1 12 HIS H 4.810 . 4.810 4.486 4.411 4.548 . 0 0 "[ . 1 . 2]" 1
235 1 10 PHE HA 1 12 HIS QB 5.500 . 5.500 5.228 5.136 5.298 . 0 0 "[ . 1 . 2]" 1
236 1 10 PHE HA 1 13 ASP H 3.970 . 3.970 3.508 3.466 3.543 . 0 0 "[ . 1 . 2]" 1
237 1 10 PHE HA 1 13 ASP HA 5.420 . 5.420 5.443 5.426 5.468 0.048 2 0 "[ . 1 . 2]" 1
238 1 10 PHE HA 1 13 ASP HB2 3.910 . 3.910 3.653 3.544 3.791 . 0 0 "[ . 1 . 2]" 1
239 1 10 PHE HA 1 13 ASP HB3 4.280 . 4.280 2.702 2.656 2.770 . 0 0 "[ . 1 . 2]" 1
240 1 10 PHE HA 1 14 LEU H 4.470 . 4.470 3.927 3.854 3.981 . 0 0 "[ . 1 . 2]" 1
241 1 10 PHE HA 1 14 LEU HB3 5.100 . 5.100 4.674 4.512 4.776 . 0 0 "[ . 1 . 2]" 1
242 1 10 PHE HA 1 14 LEU MD2 4.570 . 4.570 4.222 4.120 4.323 . 0 0 "[ . 1 . 2]" 1
243 1 10 PHE QB 1 11 TRP H 3.360 . 3.360 2.623 2.571 2.676 . 0 0 "[ . 1 . 2]" 1
244 1 10 PHE QB 1 13 ASP H 5.340 . 5.340 5.031 5.005 5.050 . 0 0 "[ . 1 . 2]" 1
245 1 10 PHE HB2 1 11 TRP H 4.030 . 4.030 4.001 3.967 4.034 0.004 7 0 "[ . 1 . 2]" 1
246 1 10 PHE HB2 1 14 LEU MD2 4.870 . 4.870 4.760 4.659 4.826 . 0 0 "[ . 1 . 2]" 1
247 1 10 PHE HB3 1 11 TRP H 4.030 . 4.030 2.659 2.604 2.716 . 0 0 "[ . 1 . 2]" 1
248 1 10 PHE HB3 1 14 LEU MD2 4.870 . 4.870 4.245 4.134 4.299 . 0 0 "[ . 1 . 2]" 1
249 1 10 PHE QD 1 11 TRP H 4.220 . 4.220 3.703 3.620 3.769 . 0 0 "[ . 1 . 2]" 1
250 1 10 PHE QD 1 11 TRP HA 4.220 . 4.220 4.197 4.153 4.229 0.009 17 0 "[ . 1 . 2]" 1
251 1 10 PHE QD 1 11 TRP HD1 4.350 . 4.350 4.148 4.025 4.206 . 0 0 "[ . 1 . 2]" 1
252 1 10 PHE QD 1 11 TRP HE1 4.970 . 4.970 4.667 4.413 4.802 . 0 0 "[ . 1 . 2]" 1
253 1 10 PHE QD 1 14 LEU HA 5.310 . 5.310 5.326 5.305 5.337 0.027 4 0 "[ . 1 . 2]" 1
254 1 10 PHE QD 1 14 LEU HB3 5.100 . 5.100 3.480 3.447 3.561 . 0 0 "[ . 1 . 2]" 1
255 1 10 PHE QD 1 14 LEU MD2 3.660 . 3.660 3.163 3.118 3.216 . 0 0 "[ . 1 . 2]" 1
256 1 10 PHE QD 1 14 LEU HG 5.050 . 5.050 5.011 4.959 5.053 0.003 16 0 "[ . 1 . 2]" 1
257 1 10 PHE QE 1 11 TRP HA 5.340 . 5.340 4.789 4.721 4.826 . 0 0 "[ . 1 . 2]" 1
258 1 10 PHE QE 1 11 TRP HD1 5.500 . 5.500 5.511 5.452 5.527 0.027 15 0 "[ . 1 . 2]" 1
259 1 10 PHE QE 1 11 TRP HZ2 5.500 . 5.500 5.352 5.107 5.511 0.011 8 0 "[ . 1 . 2]" 1
260 1 10 PHE QE 1 14 LEU MD2 3.460 . 3.460 2.862 2.822 2.901 . 0 0 "[ . 1 . 2]" 1
261 1 10 PHE HZ 1 14 LEU MD2 3.750 . 3.750 2.884 2.786 2.953 . 0 0 "[ . 1 . 2]" 1
262 1 11 TRP H 1 11 TRP HB2 3.330 . 3.330 2.178 2.161 2.204 . 0 0 "[ . 1 . 2]" 1
263 1 11 TRP H 1 11 TRP HB3 3.480 . 3.480 3.485 3.466 3.504 0.024 10 0 "[ . 1 . 2]" 1
264 1 11 TRP H 1 11 TRP HD1 3.760 . 3.760 3.415 3.229 3.551 . 0 0 "[ . 1 . 2]" 1
265 1 11 TRP H 1 11 TRP HE3 5.160 . 5.160 5.165 5.140 5.187 0.027 7 0 "[ . 1 . 2]" 1
266 1 11 TRP H 1 12 HIS H 3.350 . 3.350 2.681 2.639 2.718 . 0 0 "[ . 1 . 2]" 1
267 1 11 TRP H 1 13 ASP H 4.450 . 4.450 4.109 4.057 4.155 . 0 0 "[ . 1 . 2]" 1
268 1 11 TRP H 1 14 LEU MD2 5.020 . 5.020 3.786 3.716 3.845 . 0 0 "[ . 1 . 2]" 1
269 1 11 TRP HA 1 11 TRP HD1 4.240 . 4.240 4.181 4.163 4.205 . 0 0 "[ . 1 . 2]" 1
270 1 11 TRP HA 1 11 TRP HE3 3.450 . 3.450 2.675 2.612 2.736 . 0 0 "[ . 1 . 2]" 1
271 1 11 TRP HA 1 12 HIS HA 4.980 . 4.980 4.748 4.739 4.751 . 0 0 "[ . 1 . 2]" 1
272 1 11 TRP HA 1 13 ASP H 4.650 . 4.650 4.458 4.429 4.480 . 0 0 "[ . 1 . 2]" 1
273 1 11 TRP HA 1 14 LEU H 4.150 . 4.150 3.622 3.582 3.650 . 0 0 "[ . 1 . 2]" 1
274 1 11 TRP HA 1 14 LEU HB2 4.990 . 4.990 4.910 4.859 4.942 . 0 0 "[ . 1 . 2]" 1
275 1 11 TRP HA 1 14 LEU HB3 3.960 . 3.960 3.986 3.973 4.001 0.041 17 0 "[ . 1 . 2]" 1
276 1 11 TRP HA 1 14 LEU MD2 3.760 . 3.760 1.972 1.943 2.019 . 0 0 "[ . 1 . 2]" 1
277 1 11 TRP HA 1 14 LEU HG 4.390 . 4.390 2.386 2.280 2.444 . 0 0 "[ . 1 . 2]" 1
278 1 11 TRP HA 1 15 ALA H 4.220 . 4.220 4.002 3.966 4.037 . 0 0 "[ . 1 . 2]" 1
279 1 11 TRP HA 1 15 ALA MB 4.150 . 4.150 4.158 4.116 4.181 0.031 10 0 "[ . 1 . 2]" 1
280 1 11 TRP HB2 1 11 TRP HD1 3.640 . 3.640 2.563 2.557 2.576 . 0 0 "[ . 1 . 2]" 1
281 1 11 TRP HB2 1 12 HIS HD1 3.740 . 3.740 3.022 2.890 3.124 . 0 0 "[ . 1 . 2]" 1
282 1 11 TRP HB2 1 14 LEU MD2 4.920 . 4.920 4.315 4.280 4.354 . 0 0 "[ . 1 . 2]" 1
283 1 11 TRP HB3 1 11 TRP HD1 3.790 . 3.790 3.667 3.641 3.697 . 0 0 "[ . 1 . 2]" 1
284 1 11 TRP HB3 1 11 TRP HE3 3.960 . 3.960 2.860 2.809 2.899 . 0 0 "[ . 1 . 2]" 1
285 1 11 TRP HB3 1 12 HIS H 3.810 . 3.810 3.245 3.174 3.358 . 0 0 "[ . 1 . 2]" 1
286 1 11 TRP HB3 1 14 LEU MD2 5.340 . 5.340 4.030 3.936 4.104 . 0 0 "[ . 1 . 2]" 1
287 1 11 TRP HB3 1 15 ALA MB 5.350 . 5.350 3.966 3.917 4.005 . 0 0 "[ . 1 . 2]" 1
288 1 11 TRP HD1 1 12 HIS H 5.500 . 5.500 5.303 5.230 5.360 . 0 0 "[ . 1 . 2]" 1
289 1 11 TRP HD1 1 14 LEU MD2 4.850 . 4.850 4.701 4.644 4.778 . 0 0 "[ . 1 . 2]" 1
290 1 11 TRP HE3 1 12 HIS HA 5.500 . 5.500 5.293 5.149 5.499 . 0 0 "[ . 1 . 2]" 1
291 1 11 TRP HE3 1 12 HIS HD1 5.480 . 5.480 5.354 5.187 5.475 . 0 0 "[ . 1 . 2]" 1
292 1 11 TRP HE3 1 14 LEU HB2 5.500 . 5.500 5.523 5.508 5.539 0.039 20 0 "[ . 1 . 2]" 1
293 1 11 TRP HE3 1 14 LEU HB3 5.500 . 5.500 5.432 5.393 5.503 0.003 10 0 "[ . 1 . 2]" 1
294 1 11 TRP HE3 1 14 LEU MD1 4.800 . 4.800 2.477 2.365 2.551 . 0 0 "[ . 1 . 2]" 1
295 1 11 TRP HE3 1 14 LEU MD2 4.990 . 4.990 2.592 2.513 2.689 . 0 0 "[ . 1 . 2]" 1
296 1 11 TRP HE3 1 15 ALA MB 4.270 . 4.270 3.300 3.068 3.532 . 0 0 "[ . 1 . 2]" 1
297 1 11 TRP HZ3 1 15 ALA MB 5.290 . 5.290 4.637 4.290 4.945 . 0 0 "[ . 1 . 2]" 1
298 1 12 HIS H 1 12 HIS QB 3.150 . 3.150 2.320 2.295 2.361 . 0 0 "[ . 1 . 2]" 1
299 1 12 HIS H 1 12 HIS HD1 4.770 . 4.770 2.285 2.189 2.399 . 0 0 "[ . 1 . 2]" 1
300 1 12 HIS H 1 13 ASP H 3.280 . 3.280 2.596 2.582 2.610 . 0 0 "[ . 1 . 2]" 1
301 1 12 HIS H 1 14 LEU H 4.640 . 4.640 4.179 4.163 4.198 . 0 0 "[ . 1 . 2]" 1
302 1 12 HIS H 1 14 LEU MD2 5.360 . 5.360 4.732 4.697 4.789 . 0 0 "[ . 1 . 2]" 1
303 1 12 HIS H 1 14 LEU HG 5.500 . 5.500 4.698 4.617 4.766 . 0 0 "[ . 1 . 2]" 1
304 1 12 HIS H 1 15 ALA MB 4.970 . 4.970 4.429 4.381 4.506 . 0 0 "[ . 1 . 2]" 1
305 1 12 HIS HA 1 12 HIS HD1 3.790 . 3.790 2.729 2.610 2.803 . 0 0 "[ . 1 . 2]" 1
306 1 12 HIS HA 1 12 HIS HE1 5.180 . 5.180 4.787 4.737 4.826 . 0 0 "[ . 1 . 2]" 1
307 1 12 HIS HA 1 13 ASP HA 5.500 . 5.500 4.769 4.757 4.778 . 0 0 "[ . 1 . 2]" 1
308 1 12 HIS HA 1 15 ALA H 3.950 . 3.950 3.465 3.408 3.562 . 0 0 "[ . 1 . 2]" 1
309 1 12 HIS HA 1 15 ALA MB 3.490 . 3.490 2.469 2.382 2.606 . 0 0 "[ . 1 . 2]" 1
310 1 12 HIS QB 1 13 ASP H 3.660 . 3.660 2.632 2.609 2.645 . 0 0 "[ . 1 . 2]" 1
311 1 12 HIS QB 1 14 LEU H 5.010 . 5.010 4.788 4.775 4.804 . 0 0 "[ . 1 . 2]" 1
312 1 12 HIS QB 1 15 ALA H 5.500 . 5.500 4.807 4.762 4.887 . 0 0 "[ . 1 . 2]" 1
313 1 12 HIS QB 1 15 ALA MB 4.740 . 4.740 4.108 4.030 4.240 . 0 0 "[ . 1 . 2]" 1
314 1 12 HIS QB 1 16 ALA H 5.500 . 5.500 4.874 4.804 4.979 . 0 0 "[ . 1 . 2]" 1
315 1 12 HIS QB 1 16 ALA MB 5.290 . 5.290 4.552 4.453 4.642 . 0 0 "[ . 1 . 2]" 1
316 1 12 HIS HD1 1 13 ASP H 5.360 . 5.360 4.613 4.537 4.664 . 0 0 "[ . 1 . 2]" 1
317 1 12 HIS HD1 1 15 ALA MB 4.320 . 4.320 4.317 4.244 4.343 0.023 9 0 "[ . 1 . 2]" 1
318 1 13 ASP H 1 13 ASP HB2 3.490 . 3.490 2.569 2.501 2.636 . 0 0 "[ . 1 . 2]" 1
319 1 13 ASP H 1 13 ASP HB3 3.790 . 3.790 2.504 2.441 2.556 . 0 0 "[ . 1 . 2]" 1
320 1 13 ASP H 1 14 LEU H 3.260 . 3.260 2.666 2.643 2.682 . 0 0 "[ . 1 . 2]" 1
321 1 13 ASP H 1 14 LEU HB3 4.970 . 4.970 4.961 4.914 4.985 0.015 7 0 "[ . 1 . 2]" 1
322 1 13 ASP H 1 14 LEU MD2 4.960 . 4.960 4.784 4.741 4.842 . 0 0 "[ . 1 . 2]" 1
323 1 13 ASP H 1 14 LEU HG 5.400 . 5.400 4.529 4.449 4.591 . 0 0 "[ . 1 . 2]" 1
324 1 13 ASP H 1 15 ALA H 4.290 . 4.290 3.884 3.854 3.952 . 0 0 "[ . 1 . 2]" 1
325 1 13 ASP H 1 16 ALA MB 4.950 . 4.950 4.993 4.978 5.016 0.066 10 0 "[ . 1 . 2]" 1
326 1 13 ASP HA 1 14 LEU HA 5.500 . 5.500 4.705 4.700 4.708 . 0 0 "[ . 1 . 2]" 1
327 1 13 ASP HA 1 15 ALA MB 5.190 . 5.190 4.975 4.918 5.080 . 0 0 "[ . 1 . 2]" 1
328 1 13 ASP HA 1 16 ALA H 4.210 . 4.210 3.628 3.574 3.686 . 0 0 "[ . 1 . 2]" 1
329 1 13 ASP HA 1 16 ALA MB 3.710 . 3.710 3.057 3.019 3.101 . 0 0 "[ . 1 . 2]" 1
330 1 13 ASP HB2 1 14 LEU H 4.030 . 4.030 3.896 3.849 3.942 . 0 0 "[ . 1 . 2]" 1
331 1 13 ASP HB3 1 14 LEU H 4.290 . 4.290 2.591 2.569 2.624 . 0 0 "[ . 1 . 2]" 1
332 1 13 ASP HB3 1 14 LEU MD2 4.960 . 4.960 4.698 4.655 4.750 . 0 0 "[ . 1 . 2]" 1
333 1 14 LEU H 1 14 LEU HB2 3.680 . 3.680 3.609 3.603 3.618 . 0 0 "[ . 1 . 2]" 1
334 1 14 LEU H 1 14 LEU HB3 3.320 . 3.320 2.451 2.436 2.483 . 0 0 "[ . 1 . 2]" 1
335 1 14 LEU H 1 14 LEU MD2 3.610 . 3.610 3.195 3.166 3.246 . 0 0 "[ . 1 . 2]" 1
336 1 14 LEU H 1 14 LEU HG 3.480 . 3.480 2.536 2.476 2.581 . 0 0 "[ . 1 . 2]" 1
337 1 14 LEU H 1 15 ALA H 3.070 . 3.070 2.470 2.457 2.495 . 0 0 "[ . 1 . 2]" 1
338 1 14 LEU H 1 15 ALA HA 5.230 . 5.230 5.100 5.091 5.121 . 0 0 "[ . 1 . 2]" 1
339 1 14 LEU H 1 15 ALA MB 4.230 . 4.230 4.175 4.160 4.206 . 0 0 "[ . 1 . 2]" 1
340 1 14 LEU HA 1 14 LEU MD1 3.360 . 3.360 3.462 3.436 3.487 0.127 19 0 "[ . 1 . 2]" 1
341 1 14 LEU HA 1 17 PRO QD 4.280 . 4.280 2.891 2.855 2.916 . 0 0 "[ . 1 . 2]" 1
342 1 14 LEU HA 1 17 PRO HG3 4.470 . 4.470 3.293 3.261 3.321 . 0 0 "[ . 1 . 2]" 1
343 1 14 LEU HA 1 18 VAL MG2 4.510 . 4.510 4.044 4.019 4.074 . 0 0 "[ . 1 . 2]" 1
344 1 14 LEU HB2 1 14 LEU MD1 3.100 . 3.100 2.215 2.185 2.229 . 0 0 "[ . 1 . 2]" 1
345 1 14 LEU HB2 1 15 ALA HA 5.490 . 5.490 4.833 4.808 4.853 . 0 0 "[ . 1 . 2]" 1
346 1 14 LEU HB2 1 17 PRO HG2 4.450 . 4.450 4.458 4.405 4.477 0.027 16 0 "[ . 1 . 2]" 1
347 1 14 LEU HB2 1 18 VAL MG2 4.760 . 4.760 3.709 3.669 3.770 . 0 0 "[ . 1 . 2]" 1
348 1 14 LEU HB3 1 14 LEU MD2 3.170 . 3.170 2.168 2.149 2.186 . 0 0 "[ . 1 . 2]" 1
349 1 14 LEU HB3 1 15 ALA H 3.920 . 3.920 3.906 3.887 3.926 0.006 10 0 "[ . 1 . 2]" 1
350 1 14 LEU HB3 1 18 VAL MG2 4.910 . 4.910 4.982 4.962 5.018 0.108 17 0 "[ . 1 . 2]" 1
351 1 14 LEU MD1 1 15 ALA H 4.340 . 4.340 3.016 2.934 3.080 . 0 0 "[ . 1 . 2]" 1
352 1 14 LEU MD1 1 15 ALA HA 4.730 . 4.730 2.568 2.429 2.653 . 0 0 "[ . 1 . 2]" 1
353 1 14 LEU MD1 1 15 ALA MB 4.440 . 4.440 3.063 3.003 3.137 . 0 0 "[ . 1 . 2]" 1
354 1 14 LEU MD1 1 17 PRO QD 5.040 . 5.040 4.158 4.121 4.183 . 0 0 "[ . 1 . 2]" 1
355 1 14 LEU MD1 1 17 PRO HG2 5.180 . 5.180 4.318 4.266 4.374 . 0 0 "[ . 1 . 2]" 1
356 1 14 LEU MD1 1 18 VAL MG1 4.020 . 4.020 3.742 3.686 3.815 . 0 0 "[ . 1 . 2]" 1
357 1 14 LEU MD1 1 18 VAL MG2 4.020 . 4.020 2.147 2.102 2.175 . 0 0 "[ . 1 . 2]" 1
358 1 14 LEU MD1 1 19 ILE QG 5.500 . 5.500 5.309 5.202 5.433 . 0 0 "[ . 1 . 2]" 1
359 1 14 LEU MD2 1 15 ALA H 5.000 . 5.000 3.941 3.904 3.985 . 0 0 "[ . 1 . 2]" 1
360 1 14 LEU HG 1 15 ALA H 4.270 . 4.270 2.267 2.218 2.311 . 0 0 "[ . 1 . 2]" 1
361 1 14 LEU HG 1 16 ALA H 5.500 . 5.500 4.790 4.759 4.838 . 0 0 "[ . 1 . 2]" 1
362 1 14 LEU HG 1 18 VAL MG2 4.370 . 4.370 4.372 4.295 4.399 0.029 7 0 "[ . 1 . 2]" 1
363 1 15 ALA H 1 15 ALA MB 2.800 . 2.800 2.248 2.244 2.254 . 0 0 "[ . 1 . 2]" 1
364 1 15 ALA H 1 18 VAL MG2 5.110 . 5.110 4.308 4.225 4.381 . 0 0 "[ . 1 . 2]" 1
365 1 15 ALA HA 1 16 ALA HA 5.450 . 5.450 4.897 4.887 4.908 . 0 0 "[ . 1 . 2]" 1
366 1 15 ALA HA 1 16 ALA MB 5.500 . 5.500 4.990 4.984 4.996 . 0 0 "[ . 1 . 2]" 1
367 1 15 ALA HA 1 17 PRO QD 4.420 . 4.420 3.679 3.647 3.710 . 0 0 "[ . 1 . 2]" 1
368 1 15 ALA HA 1 18 VAL H 4.190 . 4.190 3.271 3.245 3.293 . 0 0 "[ . 1 . 2]" 1
369 1 15 ALA HA 1 18 VAL HB 3.780 . 3.780 2.167 2.131 2.202 . 0 0 "[ . 1 . 2]" 1
370 1 15 ALA HA 1 18 VAL MG1 4.170 . 4.170 3.506 3.481 3.529 . 0 0 "[ . 1 . 2]" 1
371 1 15 ALA HA 1 18 VAL MG2 3.570 . 3.570 2.630 2.478 2.760 . 0 0 "[ . 1 . 2]" 1
372 1 15 ALA HA 1 19 ILE H 4.400 . 4.400 3.758 3.671 3.829 . 0 0 "[ . 1 . 2]" 1
373 1 15 ALA HA 1 19 ILE MD 4.830 . 4.830 3.885 3.756 4.013 . 0 0 "[ . 1 . 2]" 1
374 1 15 ALA MB 1 16 ALA MB 4.190 . 4.190 3.957 3.940 3.978 . 0 0 "[ . 1 . 2]" 1
375 1 15 ALA MB 1 17 PRO QD 4.640 . 4.640 4.070 4.048 4.091 . 0 0 "[ . 1 . 2]" 1
376 1 15 ALA MB 1 18 VAL H 5.190 . 5.190 4.399 4.354 4.432 . 0 0 "[ . 1 . 2]" 1
377 1 15 ALA MB 1 18 VAL HB 4.210 . 4.210 3.493 3.431 3.545 . 0 0 "[ . 1 . 2]" 1
378 1 15 ALA MB 1 18 VAL MG1 4.080 . 4.080 4.110 4.090 4.124 0.044 14 0 "[ . 1 . 2]" 1
379 1 15 ALA MB 1 18 VAL MG2 4.020 . 4.020 3.907 3.790 4.007 . 0 0 "[ . 1 . 2]" 1
380 1 15 ALA MB 1 19 ILE H 4.270 . 4.270 4.014 3.972 4.047 . 0 0 "[ . 1 . 2]" 1
381 1 15 ALA MB 1 19 ILE HB 4.630 . 4.630 4.589 4.434 4.641 0.011 17 0 "[ . 1 . 2]" 1
382 1 15 ALA MB 1 19 ILE MD 3.260 . 3.260 2.256 2.144 2.344 . 0 0 "[ . 1 . 2]" 1
383 1 15 ALA MB 1 19 ILE MG 4.850 . 4.850 4.845 4.767 4.882 0.032 9 0 "[ . 1 . 2]" 1
384 1 16 ALA H 1 16 ALA MB 2.770 . 2.770 2.218 2.168 2.244 . 0 0 "[ . 1 . 2]" 1
385 1 16 ALA H 1 17 PRO QD 3.340 . 3.340 2.347 2.337 2.357 . 0 0 "[ . 1 . 2]" 1
386 1 16 ALA H 1 17 PRO HG2 4.630 . 4.630 4.651 4.645 4.656 0.026 7 0 "[ . 1 . 2]" 1
387 1 16 ALA H 1 18 VAL H 4.520 . 4.520 4.040 4.021 4.080 . 0 0 "[ . 1 . 2]" 1
388 1 16 ALA H 1 18 VAL MG2 5.500 . 5.500 4.780 4.687 4.875 . 0 0 "[ . 1 . 2]" 1
389 1 16 ALA H 1 19 ILE H 4.880 . 4.880 4.858 4.821 4.886 0.006 2 0 "[ . 1 . 2]" 1
390 1 16 ALA H 1 19 ILE MD 4.790 . 4.790 4.083 4.017 4.140 . 0 0 "[ . 1 . 2]" 1
391 1 16 ALA HA 1 18 VAL HB 5.500 . 5.500 5.363 5.316 5.427 . 0 0 "[ . 1 . 2]" 1
392 1 16 ALA HA 1 19 ILE H 4.220 . 4.220 3.978 3.885 4.034 . 0 0 "[ . 1 . 2]" 1
393 1 16 ALA HA 1 19 ILE HB 3.850 . 3.850 3.629 3.513 3.760 . 0 0 "[ . 1 . 2]" 1
394 1 16 ALA HA 1 19 ILE MD 3.770 . 3.770 2.990 2.843 3.192 . 0 0 "[ . 1 . 2]" 1
395 1 16 ALA HA 1 19 ILE QG 5.100 . 5.100 4.308 4.149 4.534 . 0 0 "[ . 1 . 2]" 1
396 1 16 ALA HA 1 20 ALA H 4.330 . 4.330 4.215 4.082 4.300 . 0 0 "[ . 1 . 2]" 1
397 1 16 ALA HA 1 20 ALA MB 4.370 . 4.370 4.362 4.174 4.412 0.042 17 0 "[ . 1 . 2]" 1
398 1 16 ALA MB 1 17 PRO HA 4.030 . 4.030 3.936 3.917 3.951 . 0 0 "[ . 1 . 2]" 1
399 1 16 ALA MB 1 17 PRO HB3 4.760 . 4.760 4.158 4.095 4.206 . 0 0 "[ . 1 . 2]" 1
400 1 16 ALA MB 1 17 PRO QD 2.950 . 2.950 1.793 1.779 1.820 . 0 0 "[ . 1 . 2]" 1
401 1 16 ALA MB 1 17 PRO HG3 4.360 . 4.360 3.950 3.934 3.965 . 0 0 "[ . 1 . 2]" 1
402 1 16 ALA MB 1 18 VAL H 4.340 . 4.340 4.264 4.242 4.306 . 0 0 "[ . 1 . 2]" 1
403 1 16 ALA MB 1 19 ILE H 5.000 . 5.000 4.947 4.874 4.994 . 0 0 "[ . 1 . 2]" 1
404 1 16 ALA MB 1 19 ILE MD 4.380 . 4.380 4.241 4.132 4.375 . 0 0 "[ . 1 . 2]" 1
405 1 16 ALA MB 1 20 ALA H 5.030 . 5.030 4.881 4.809 4.952 . 0 0 "[ . 1 . 2]" 1
406 1 17 PRO HA 1 18 VAL MG2 5.220 . 5.220 4.979 4.928 5.020 . 0 0 "[ . 1 . 2]" 1
407 1 17 PRO HA 1 19 ILE H 4.940 . 4.940 4.624 4.553 4.670 . 0 0 "[ . 1 . 2]" 1
408 1 17 PRO HA 1 20 ALA H 4.040 . 4.040 3.604 3.500 3.716 . 0 0 "[ . 1 . 2]" 1
409 1 17 PRO HA 1 20 ALA MB 3.000 . 3.000 2.530 2.397 2.654 . 0 0 "[ . 1 . 2]" 1
410 1 17 PRO HA 1 21 GLY H 4.500 . 4.500 3.854 3.626 4.069 . 0 0 "[ . 1 . 2]" 1
411 1 17 PRO HB2 1 18 VAL H 4.180 . 4.180 3.473 3.411 3.500 . 0 0 "[ . 1 . 2]" 1
412 1 17 PRO HB2 1 18 VAL HA 5.130 . 5.130 4.128 4.101 4.144 . 0 0 "[ . 1 . 2]" 1
413 1 17 PRO HB2 1 18 VAL MG2 4.210 . 4.210 3.846 3.807 3.884 . 0 0 "[ . 1 . 2]" 1
414 1 17 PRO HB3 1 20 ALA MB 4.690 . 4.690 4.491 4.364 4.603 . 0 0 "[ . 1 . 2]" 1
415 1 17 PRO QD 1 18 VAL H 3.660 . 3.660 2.581 2.551 2.616 . 0 0 "[ . 1 . 2]" 1
416 1 17 PRO QD 1 18 VAL HA 5.330 . 5.330 5.083 5.065 5.111 . 0 0 "[ . 1 . 2]" 1
417 1 17 PRO QD 1 18 VAL MG2 4.340 . 4.340 3.442 3.378 3.499 . 0 0 "[ . 1 . 2]" 1
418 1 17 PRO QD 1 19 ILE H 4.870 . 4.870 4.446 4.390 4.479 . 0 0 "[ . 1 . 2]" 1
419 1 17 PRO HG2 1 18 VAL H 4.420 . 4.420 2.534 2.470 2.576 . 0 0 "[ . 1 . 2]" 1
420 1 17 PRO HG3 1 18 VAL H 4.470 . 4.470 3.995 3.945 4.025 . 0 0 "[ . 1 . 2]" 1
421 1 18 VAL H 1 18 VAL HB 3.270 . 3.270 2.431 2.400 2.464 . 0 0 "[ . 1 . 2]" 1
422 1 18 VAL H 1 18 VAL MG1 3.760 . 3.760 3.750 3.740 3.758 . 0 0 "[ . 1 . 2]" 1
423 1 18 VAL H 1 18 VAL MG2 3.050 . 3.050 2.259 2.203 2.313 . 0 0 "[ . 1 . 2]" 1
424 1 18 VAL H 1 19 ILE H 3.230 . 3.230 2.623 2.584 2.649 . 0 0 "[ . 1 . 2]" 1
425 1 18 VAL H 1 19 ILE HA 5.410 . 5.410 5.250 5.224 5.271 . 0 0 "[ . 1 . 2]" 1
426 1 18 VAL H 1 19 ILE MD 4.740 . 4.740 4.775 4.763 4.785 0.045 6 0 "[ . 1 . 2]" 1
427 1 18 VAL H 1 19 ILE QG 5.220 . 5.220 4.110 4.059 4.246 . 0 0 "[ . 1 . 2]" 1
428 1 18 VAL H 1 20 ALA H 4.470 . 4.470 3.961 3.865 4.106 . 0 0 "[ . 1 . 2]" 1
429 1 18 VAL H 1 20 ALA MB 4.990 . 4.990 4.651 4.546 4.745 . 0 0 "[ . 1 . 2]" 1
430 1 18 VAL HA 1 18 VAL MG1 2.950 . 2.950 2.465 2.436 2.489 . 0 0 "[ . 1 . 2]" 1
431 1 18 VAL HA 1 18 VAL MG2 2.810 . 2.810 2.379 2.352 2.403 . 0 0 "[ . 1 . 2]" 1
432 1 18 VAL HA 1 19 ILE HA 4.970 . 4.970 4.751 4.744 4.760 . 0 0 "[ . 1 . 2]" 1
433 1 18 VAL HA 1 20 ALA H 5.030 . 5.030 4.618 4.479 4.818 . 0 0 "[ . 1 . 2]" 1
434 1 18 VAL HA 1 20 ALA MB 5.490 . 5.490 5.200 5.083 5.341 . 0 0 "[ . 1 . 2]" 1
435 1 18 VAL HA 1 21 GLY H 4.490 . 4.490 3.749 3.636 3.850 . 0 0 "[ . 1 . 2]" 1
436 1 18 VAL HA 1 21 GLY QA 5.480 . 5.480 4.089 3.944 4.357 . 0 0 "[ . 1 . 2]" 1
437 1 18 VAL HB 1 19 ILE H 3.530 . 3.530 2.487 2.445 2.525 . 0 0 "[ . 1 . 2]" 1
438 1 18 VAL HB 1 19 ILE HA 5.060 . 5.060 4.370 4.331 4.412 . 0 0 "[ . 1 . 2]" 1
439 1 18 VAL HB 1 20 ALA H 5.210 . 5.210 4.903 4.814 5.018 . 0 0 "[ . 1 . 2]" 1
440 1 18 VAL HB 1 22 ILE MD 4.740 . 4.740 4.726 4.503 4.762 0.022 13 0 "[ . 1 . 2]" 1
441 1 18 VAL MG1 1 19 ILE H 3.720 . 3.720 3.177 3.100 3.290 . 0 0 "[ . 1 . 2]" 1
442 1 18 VAL MG1 1 22 ILE H 4.610 . 4.610 4.422 4.331 4.536 . 0 0 "[ . 1 . 2]" 1
443 1 18 VAL MG1 1 22 ILE QG 4.460 . 4.460 3.327 3.186 3.483 . 0 0 "[ . 1 . 2]" 1
444 1 18 VAL MG2 1 19 ILE H 3.900 . 3.900 3.847 3.808 3.877 . 0 0 "[ . 1 . 2]" 1
445 1 18 VAL MG2 1 19 ILE QG 4.620 . 4.620 4.377 4.325 4.433 . 0 0 "[ . 1 . 2]" 1
446 1 19 ILE H 1 19 ILE HB 3.320 . 3.320 2.555 2.514 2.588 . 0 0 "[ . 1 . 2]" 1
447 1 19 ILE H 1 19 ILE MD 4.010 . 4.010 3.228 3.205 3.267 . 0 0 "[ . 1 . 2]" 1
448 1 19 ILE H 1 19 ILE QG 3.870 . 3.870 2.014 1.956 2.103 . 0 0 "[ . 1 . 2]" 1
449 1 19 ILE H 1 19 ILE MG 3.930 . 3.930 3.758 3.754 3.762 . 0 0 "[ . 1 . 2]" 1
450 1 19 ILE H 1 20 ALA H 3.400 . 3.400 2.574 2.541 2.628 . 0 0 "[ . 1 . 2]" 1
451 1 19 ILE H 1 20 ALA MB 4.270 . 4.270 4.254 4.232 4.279 0.009 20 0 "[ . 1 . 2]" 1
452 1 19 ILE H 1 21 GLY H 4.600 . 4.600 4.037 3.948 4.228 . 0 0 "[ . 1 . 2]" 1
453 1 19 ILE HA 1 19 ILE MD 3.930 . 3.930 3.905 3.890 3.915 . 0 0 "[ . 1 . 2]" 1
454 1 19 ILE HA 1 19 ILE QG 3.550 . 3.550 2.493 2.465 2.512 . 0 0 "[ . 1 . 2]" 1
455 1 19 ILE HA 1 19 ILE MG 2.930 . 2.930 2.356 2.336 2.381 . 0 0 "[ . 1 . 2]" 1
456 1 19 ILE HA 1 21 GLY H 4.980 . 4.980 4.303 4.197 4.561 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE HA 1 22 ILE H 3.950 . 3.950 3.596 3.485 3.710 . 0 0 "[ . 1 . 2]" 1
458 1 19 ILE HA 1 22 ILE HB 3.380 . 3.380 3.189 3.068 3.368 . 0 0 "[ . 1 . 2]" 1
459 1 19 ILE HA 1 22 ILE MD 3.420 . 3.420 2.855 2.445 3.131 . 0 0 "[ . 1 . 2]" 1
460 1 19 ILE HA 1 23 LEU H 4.480 . 4.480 4.099 3.938 4.328 . 0 0 "[ . 1 . 2]" 1
461 1 19 ILE HA 1 23 LEU QB 4.940 . 4.940 4.573 4.309 4.933 . 0 0 "[ . 1 . 2]" 1
462 1 19 ILE HB 1 19 ILE MD 3.600 . 3.600 2.320 2.310 2.328 . 0 0 "[ . 1 . 2]" 1
463 1 19 ILE HB 1 20 ALA H 3.470 . 3.470 2.586 2.442 2.689 . 0 0 "[ . 1 . 2]" 1
464 1 19 ILE HB 1 20 ALA MB 4.080 . 4.080 3.907 3.853 3.981 . 0 0 "[ . 1 . 2]" 1
465 1 19 ILE HB 1 21 GLY H 5.500 . 5.500 4.967 4.852 5.152 . 0 0 "[ . 1 . 2]" 1
466 1 19 ILE MD 1 20 ALA H 4.730 . 4.730 4.293 4.216 4.364 . 0 0 "[ . 1 . 2]" 1
467 1 19 ILE MD 1 20 ALA MB 5.310 . 5.310 5.044 4.992 5.102 . 0 0 "[ . 1 . 2]" 1
468 1 19 ILE QG 1 19 ILE MG 3.320 . 3.320 2.219 2.209 2.231 . 0 0 "[ . 1 . 2]" 1
469 1 19 ILE QG 1 20 ALA H 5.350 . 5.350 3.947 3.916 3.986 . 0 0 "[ . 1 . 2]" 1
470 1 19 ILE MG 1 20 ALA H 4.280 . 4.280 3.523 3.345 3.625 . 0 0 "[ . 1 . 2]" 1
471 1 19 ILE MG 1 20 ALA HA 3.970 . 3.970 3.547 3.411 3.627 . 0 0 "[ . 1 . 2]" 1
472 1 19 ILE MG 1 20 ALA MB 4.290 . 4.290 4.189 4.042 4.289 . 0 0 "[ . 1 . 2]" 1
473 1 19 ILE MG 1 23 LEU H 4.070 . 4.070 3.989 3.850 4.082 0.012 12 0 "[ . 1 . 2]" 1
474 1 19 ILE MG 1 23 LEU QB 3.450 . 3.450 3.097 2.775 3.415 . 0 0 "[ . 1 . 2]" 1
475 1 20 ALA H 1 20 ALA MB 2.780 . 2.780 2.234 2.219 2.244 . 0 0 "[ . 1 . 2]" 1
476 1 20 ALA H 1 21 GLY H 3.420 . 3.420 2.645 2.567 2.723 . 0 0 "[ . 1 . 2]" 1
477 1 20 ALA H 1 21 GLY QA 5.500 . 5.500 4.523 4.460 4.586 . 0 0 "[ . 1 . 2]" 1
478 1 20 ALA H 1 22 ILE H 5.260 . 5.260 4.341 4.277 4.406 . 0 0 "[ . 1 . 2]" 1
479 1 20 ALA H 1 23 LEU H 4.990 . 4.990 4.740 4.640 4.868 . 0 0 "[ . 1 . 2]" 1
480 1 20 ALA H 1 23 LEU QD 5.440 . 5.440 5.151 4.997 5.291 . 0 0 "[ . 1 . 2]" 1
481 1 20 ALA HA 1 22 ILE H 4.790 . 4.790 4.579 4.448 4.668 . 0 0 "[ . 1 . 2]" 1
482 1 20 ALA HA 1 23 LEU H 3.940 . 3.940 3.530 3.350 3.615 . 0 0 "[ . 1 . 2]" 1
483 1 20 ALA HA 1 23 LEU QB 3.610 . 3.610 2.477 2.361 2.577 . 0 0 "[ . 1 . 2]" 1
484 1 20 ALA HA 1 23 LEU QD 3.490 . 3.490 3.100 3.018 3.266 . 0 0 "[ . 1 . 2]" 1
485 1 20 ALA HA 1 23 LEU HG 4.610 . 4.610 4.626 4.599 4.655 0.045 17 0 "[ . 1 . 2]" 1
486 1 20 ALA HA 1 24 ALA H 4.360 . 4.360 4.110 3.904 4.265 . 0 0 "[ . 1 . 2]" 1
487 1 20 ALA HA 1 24 ALA MB 5.170 . 5.170 4.666 4.318 4.885 . 0 0 "[ . 1 . 2]" 1
488 1 20 ALA MB 1 21 GLY H 3.270 . 3.270 2.638 2.471 2.688 . 0 0 "[ . 1 . 2]" 1
489 1 20 ALA MB 1 21 GLY QA 3.870 . 3.870 3.572 3.519 3.589 . 0 0 "[ . 1 . 2]" 1
490 1 20 ALA MB 1 22 ILE H 4.930 . 4.930 4.694 4.621 4.740 . 0 0 "[ . 1 . 2]" 1
491 1 20 ALA MB 1 23 LEU H 4.790 . 4.790 4.656 4.513 4.758 . 0 0 "[ . 1 . 2]" 1
492 1 20 ALA MB 1 23 LEU QD 4.320 . 4.320 3.906 3.672 4.093 . 0 0 "[ . 1 . 2]" 1
493 1 20 ALA MB 1 24 ALA H 4.800 . 4.800 4.643 4.510 4.808 0.008 6 0 "[ . 1 . 2]" 1
494 1 21 GLY H 1 22 ILE H 3.550 . 3.550 2.695 2.668 2.747 . 0 0 "[ . 1 . 2]" 1
495 1 21 GLY H 1 22 ILE QG 5.500 . 5.500 4.172 4.038 4.289 . 0 0 "[ . 1 . 2]" 1
496 1 21 GLY H 1 23 LEU H 4.710 . 4.710 4.003 3.921 4.101 . 0 0 "[ . 1 . 2]" 1
497 1 21 GLY H 1 24 ALA MB 4.950 . 4.950 4.838 4.656 4.968 0.018 6 0 "[ . 1 . 2]" 1
498 1 21 GLY QA 1 22 ILE HA 5.500 . 5.500 4.015 4.008 4.025 . 0 0 "[ . 1 . 2]" 1
499 1 21 GLY QA 1 23 LEU H 4.850 . 4.850 4.031 3.963 4.163 . 0 0 "[ . 1 . 2]" 1
500 1 21 GLY QA 1 24 ALA H 4.170 . 4.170 3.498 3.374 3.572 . 0 0 "[ . 1 . 2]" 1
501 1 21 GLY QA 1 24 ALA MB 3.220 . 3.220 2.863 2.757 2.971 . 0 0 "[ . 1 . 2]" 1
502 1 21 GLY QA 1 25 SER H 4.610 . 4.610 4.402 4.186 4.573 . 0 0 "[ . 1 . 2]" 1
503 1 22 ILE H 1 22 ILE HB 3.220 . 3.220 2.555 2.484 2.630 . 0 0 "[ . 1 . 2]" 1
504 1 22 ILE H 1 22 ILE MD 3.650 . 3.650 3.457 3.388 3.520 . 0 0 "[ . 1 . 2]" 1
505 1 22 ILE H 1 22 ILE QG 3.480 . 3.480 2.045 1.920 2.162 . 0 0 "[ . 1 . 2]" 1
506 1 22 ILE H 1 22 ILE MG 3.820 . 3.820 3.768 3.757 3.774 . 0 0 "[ . 1 . 2]" 1
507 1 22 ILE H 1 23 LEU H 3.370 . 3.370 2.570 2.539 2.613 . 0 0 "[ . 1 . 2]" 1
508 1 22 ILE H 1 24 ALA H 4.250 . 4.250 4.078 4.016 4.139 . 0 0 "[ . 1 . 2]" 1
509 1 22 ILE H 1 24 ALA MB 5.290 . 5.290 4.823 4.748 4.886 . 0 0 "[ . 1 . 2]" 1
510 1 22 ILE HA 1 22 ILE MD 3.920 . 3.920 3.872 3.850 3.903 . 0 0 "[ . 1 . 2]" 1
511 1 22 ILE HA 1 22 ILE QG 3.510 . 3.510 2.455 2.412 2.510 . 0 0 "[ . 1 . 2]" 1
512 1 22 ILE HA 1 22 ILE MG 3.020 . 3.020 2.376 2.344 2.415 . 0 0 "[ . 1 . 2]" 1
513 1 22 ILE HA 1 23 LEU HA 4.810 . 4.810 4.797 4.778 4.815 0.005 6 0 "[ . 1 . 2]" 1
514 1 22 ILE HA 1 24 ALA H 4.990 . 4.990 4.250 4.151 4.377 . 0 0 "[ . 1 . 2]" 1
515 1 22 ILE HA 1 25 SER H 4.520 . 4.520 3.486 3.315 3.640 . 0 0 "[ . 1 . 2]" 1
516 1 22 ILE HA 1 25 SER QB 4.540 . 4.540 3.100 2.848 3.607 . 0 0 "[ . 1 . 2]" 1
517 1 22 ILE HA 1 26 MET H 4.890 . 4.890 4.627 4.506 4.791 . 0 0 "[ . 1 . 2]" 1
518 1 22 ILE HB 1 22 ILE MD 3.330 . 3.330 2.379 2.350 2.404 . 0 0 "[ . 1 . 2]" 1
519 1 22 ILE HB 1 23 LEU H 3.570 . 3.570 2.688 2.586 2.747 . 0 0 "[ . 1 . 2]" 1
520 1 22 ILE HB 1 23 LEU HA 4.800 . 4.800 4.215 4.130 4.298 . 0 0 "[ . 1 . 2]" 1
521 1 22 ILE HB 1 24 ALA H 5.150 . 5.150 5.022 4.951 5.096 . 0 0 "[ . 1 . 2]" 1
522 1 22 ILE QG 1 22 ILE MG 3.310 . 3.310 2.280 2.252 2.308 . 0 0 "[ . 1 . 2]" 1
523 1 22 ILE MG 1 23 LEU H 4.320 . 4.320 3.560 3.431 3.621 . 0 0 "[ . 1 . 2]" 1
524 1 22 ILE MG 1 23 LEU HA 3.880 . 3.880 3.541 3.416 3.645 . 0 0 "[ . 1 . 2]" 1
525 1 22 ILE MG 1 24 ALA H 5.050 . 5.050 4.967 4.902 5.042 . 0 0 "[ . 1 . 2]" 1
526 1 22 ILE MG 1 25 SER QB 4.360 . 4.360 3.562 3.244 4.340 . 0 0 "[ . 1 . 2]" 1
527 1 22 ILE MG 1 26 MET H 4.820 . 4.820 4.225 4.062 4.368 . 0 0 "[ . 1 . 2]" 1
528 1 22 ILE MG 1 26 MET HA 5.500 . 5.500 5.484 5.391 5.532 0.032 9 0 "[ . 1 . 2]" 1
529 1 22 ILE MG 1 26 MET HB2 5.500 . 5.500 4.774 4.532 5.141 . 0 0 "[ . 1 . 2]" 1
530 1 22 ILE MG 1 26 MET HG2 4.130 . 4.130 3.947 3.845 4.043 . 0 0 "[ . 1 . 2]" 1
531 1 22 ILE MG 1 26 MET QG 3.480 . 3.480 2.864 2.739 3.019 . 0 0 "[ . 1 . 2]" 1
532 1 22 ILE MG 1 26 MET HG3 4.130 . 4.130 2.941 2.804 3.133 . 0 0 "[ . 1 . 2]" 1
533 1 23 LEU H 1 23 LEU QB 3.150 . 3.150 2.217 2.199 2.223 . 0 0 "[ . 1 . 2]" 1
534 1 23 LEU H 1 23 LEU MD1 5.040 . 5.040 4.162 4.133 4.187 . 0 0 "[ . 1 . 2]" 1
535 1 23 LEU H 1 23 LEU QD 4.310 . 4.310 3.739 3.723 3.755 . 0 0 "[ . 1 . 2]" 1
536 1 23 LEU H 1 23 LEU MD2 5.040 . 5.040 4.234 4.222 4.244 . 0 0 "[ . 1 . 2]" 1
537 1 23 LEU H 1 23 LEU HG 4.400 . 4.400 4.396 4.348 4.416 0.016 7 0 "[ . 1 . 2]" 1
538 1 23 LEU H 1 24 ALA H 3.390 . 3.390 2.614 2.583 2.641 . 0 0 "[ . 1 . 2]" 1
539 1 23 LEU H 1 24 ALA MB 4.270 . 4.270 4.284 4.266 4.304 0.034 2 0 "[ . 1 . 2]" 1
540 1 23 LEU H 1 25 SER H 4.510 . 4.510 4.222 4.105 4.385 . 0 0 "[ . 1 . 2]" 1
541 1 23 LEU H 1 26 MET H 5.080 . 5.080 4.937 4.844 5.042 . 0 0 "[ . 1 . 2]" 1
542 1 23 LEU HA 1 23 LEU QD 2.880 . 2.880 2.149 2.111 2.190 . 0 0 "[ . 1 . 2]" 1
543 1 23 LEU HA 1 23 LEU HG 3.580 . 3.580 3.260 3.169 3.327 . 0 0 "[ . 1 . 2]" 1
544 1 23 LEU HA 1 26 MET HB2 3.610 . 3.610 2.940 2.718 3.215 . 0 0 "[ . 1 . 2]" 1
545 1 23 LEU HA 1 26 MET HB3 5.200 . 5.200 4.488 4.206 4.773 . 0 0 "[ . 1 . 2]" 1
546 1 23 LEU HA 1 26 MET ME 3.990 . 3.990 2.476 1.788 4.012 0.022 1 0 "[ . 1 . 2]" 1
547 1 23 LEU HA 1 26 MET HG2 4.740 . 4.740 4.605 4.232 4.745 0.005 15 0 "[ . 1 . 2]" 1
548 1 23 LEU HA 1 26 MET QG 3.880 . 3.880 3.014 2.809 3.162 . 0 0 "[ . 1 . 2]" 1
549 1 23 LEU HA 1 26 MET HG3 4.740 . 4.740 3.057 2.852 3.224 . 0 0 "[ . 1 . 2]" 1
550 1 23 LEU HA 1 27 ILE H 4.900 . 4.900 4.363 4.127 4.626 . 0 0 "[ . 1 . 2]" 1
551 1 23 LEU QB 1 24 ALA H 3.610 . 3.610 2.686 2.625 2.743 . 0 0 "[ . 1 . 2]" 1
552 1 23 LEU QB 1 24 ALA HA 4.660 . 4.660 4.240 4.192 4.301 . 0 0 "[ . 1 . 2]" 1
553 1 23 LEU QB 1 26 MET H 5.310 . 5.310 5.013 4.903 5.150 . 0 0 "[ . 1 . 2]" 1
554 1 23 LEU QD 1 24 ALA H 4.720 . 4.720 3.903 3.850 3.965 . 0 0 "[ . 1 . 2]" 1
555 1 23 LEU QD 1 26 MET H 4.530 . 4.530 4.147 3.992 4.277 . 0 0 "[ . 1 . 2]" 1
556 1 23 LEU QD 1 26 MET HA 5.440 . 5.440 5.314 5.069 5.460 0.020 6 0 "[ . 1 . 2]" 1
557 1 23 LEU QD 1 26 MET HB2 4.850 . 4.850 2.713 2.430 2.877 . 0 0 "[ . 1 . 2]" 1
558 1 23 LEU QD 1 26 MET ME 3.510 . 3.510 2.304 1.893 3.189 . 0 0 "[ . 1 . 2]" 1
559 1 23 LEU QD 1 26 MET QG 4.230 . 4.230 3.854 3.580 4.026 . 0 0 "[ . 1 . 2]" 1
560 1 23 LEU QD 1 27 ILE H 4.540 . 4.540 3.759 3.441 3.972 . 0 0 "[ . 1 . 2]" 1
561 1 23 LEU MD1 1 24 ALA H 5.500 . 5.500 4.390 4.292 4.499 . 0 0 "[ . 1 . 2]" 1
562 1 23 LEU MD2 1 24 ALA H 5.500 . 5.500 4.375 4.263 4.467 . 0 0 "[ . 1 . 2]" 1
563 1 23 LEU HG 1 24 ALA H 3.820 . 3.820 3.700 3.587 3.823 0.003 7 0 "[ . 1 . 2]" 1
564 1 23 LEU HG 1 27 ILE H 4.890 . 4.890 4.449 4.136 4.687 . 0 0 "[ . 1 . 2]" 1
565 1 24 ALA H 1 24 ALA MB 2.770 . 2.770 2.230 2.225 2.236 . 0 0 "[ . 1 . 2]" 1
566 1 24 ALA H 1 25 SER H 3.300 . 3.300 2.682 2.617 2.771 . 0 0 "[ . 1 . 2]" 1
567 1 24 ALA H 1 26 MET H 4.430 . 4.430 4.116 3.991 4.356 . 0 0 "[ . 1 . 2]" 1
568 1 24 ALA H 1 27 ILE MD 5.160 . 5.160 4.469 4.275 4.734 . 0 0 "[ . 1 . 2]" 1
569 1 24 ALA HA 1 27 ILE H 3.970 . 3.970 3.452 3.347 3.627 . 0 0 "[ . 1 . 2]" 1
570 1 24 ALA HA 1 27 ILE HB 3.480 . 3.480 2.953 2.823 3.077 . 0 0 "[ . 1 . 2]" 1
571 1 24 ALA HA 1 27 ILE MD 3.530 . 3.530 2.564 2.382 2.752 . 0 0 "[ . 1 . 2]" 1
572 1 24 ALA HA 1 27 ILE QG 4.860 . 4.860 3.307 3.008 3.587 . 0 0 "[ . 1 . 2]" 1
573 1 24 ALA HA 1 27 ILE MG 4.680 . 4.680 4.286 4.146 4.404 . 0 0 "[ . 1 . 2]" 1
574 1 24 ALA HA 1 28 VAL H 4.190 . 4.190 4.195 4.135 4.243 0.053 2 0 "[ . 1 . 2]" 1
575 1 24 ALA HA 1 28 VAL QG 3.950 . 3.950 3.843 3.712 3.960 0.010 3 0 "[ . 1 . 2]" 1
576 1 24 ALA MB 1 25 SER H 3.220 . 3.220 2.532 2.417 2.648 . 0 0 "[ . 1 . 2]" 1
577 1 24 ALA MB 1 25 SER QB 5.410 . 5.410 4.150 3.772 4.441 . 0 0 "[ . 1 . 2]" 1
578 1 24 ALA MB 1 27 ILE H 5.500 . 5.500 4.610 4.532 4.753 . 0 0 "[ . 1 . 2]" 1
579 1 24 ALA MB 1 27 ILE HB 4.630 . 4.630 4.203 4.065 4.402 . 0 0 "[ . 1 . 2]" 1
580 1 24 ALA MB 1 27 ILE MD 4.340 . 4.340 3.775 3.533 3.996 . 0 0 "[ . 1 . 2]" 1
581 1 24 ALA MB 1 28 VAL H 4.650 . 4.650 4.600 4.488 4.661 0.011 20 0 "[ . 1 . 2]" 1
582 1 24 ALA MB 1 28 VAL HB 5.500 . 5.500 5.160 5.037 5.285 . 0 0 "[ . 1 . 2]" 1
583 1 24 ALA MB 1 28 VAL QG 3.430 . 3.430 3.347 3.250 3.459 0.029 3 0 "[ . 1 . 2]" 1
584 1 25 SER H 1 25 SER QB 3.610 . 3.610 2.391 2.256 2.494 . 0 0 "[ . 1 . 2]" 1
585 1 25 SER H 1 26 MET H 3.460 . 3.460 2.653 2.605 2.730 . 0 0 "[ . 1 . 2]" 1
586 1 25 SER H 1 27 ILE H 4.550 . 4.550 4.217 4.093 4.357 . 0 0 "[ . 1 . 2]" 1
587 1 25 SER H 1 28 VAL H 4.840 . 4.840 4.851 4.822 4.876 0.036 19 0 "[ . 1 . 2]" 1
588 1 25 SER H 1 28 VAL QG 4.640 . 4.640 4.499 4.363 4.602 . 0 0 "[ . 1 . 2]" 1
589 1 25 SER HA 1 25 SER QB 2.660 . 2.660 2.355 2.189 2.375 . 0 0 "[ . 1 . 2]" 1
590 1 25 SER HA 1 27 ILE H 5.330 . 5.330 4.462 4.310 4.638 . 0 0 "[ . 1 . 2]" 1
591 1 25 SER HA 1 28 VAL H 3.980 . 3.980 3.562 3.487 3.653 . 0 0 "[ . 1 . 2]" 1
592 1 25 SER HA 1 28 VAL HB 3.320 . 3.320 2.908 2.787 2.989 . 0 0 "[ . 1 . 2]" 1
593 1 25 SER HA 1 28 VAL MG1 4.290 . 4.290 4.254 4.155 4.310 0.020 16 0 "[ . 1 . 2]" 1
594 1 25 SER HA 1 28 VAL QG 3.270 . 3.270 3.113 2.949 3.268 . 0 0 "[ . 1 . 2]" 1
595 1 25 SER HA 1 28 VAL MG2 4.290 . 4.290 3.202 3.008 3.385 . 0 0 "[ . 1 . 2]" 1
596 1 25 SER HA 1 29 ASN H 4.160 . 4.160 4.017 3.893 4.100 . 0 0 "[ . 1 . 2]" 1
597 1 25 SER HA 1 29 ASN QB 5.250 . 5.250 5.123 4.684 5.274 0.024 8 0 "[ . 1 . 2]" 1
598 1 25 SER HA 1 29 ASN QD 5.340 . 5.340 4.466 3.493 5.312 . 0 0 "[ . 1 . 2]" 1
599 1 25 SER QB 1 26 MET H 4.180 . 4.180 2.706 2.430 3.487 . 0 0 "[ . 1 . 2]" 1
600 1 25 SER QB 1 27 ILE H 5.500 . 5.500 4.830 4.629 5.200 . 0 0 "[ . 1 . 2]" 1
601 1 25 SER QB 1 28 VAL QG 4.970 . 4.970 4.484 4.229 4.608 . 0 0 "[ . 1 . 2]" 1
602 1 25 SER QB 1 29 ASN HD21 5.270 . 5.270 4.367 3.020 5.291 0.021 11 0 "[ . 1 . 2]" 1
603 1 25 SER QB 1 29 ASN QD 4.550 . 4.550 3.613 2.671 4.321 . 0 0 "[ . 1 . 2]" 1
604 1 25 SER QB 1 29 ASN HD22 5.270 . 5.270 3.965 2.863 5.274 0.004 4 0 "[ . 1 . 2]" 1
605 1 26 MET H 1 26 MET HB2 3.570 . 3.570 2.475 2.422 2.556 . 0 0 "[ . 1 . 2]" 1
606 1 26 MET H 1 26 MET HB3 4.180 . 4.180 3.594 3.585 3.605 . 0 0 "[ . 1 . 2]" 1
607 1 26 MET H 1 26 MET HG2 3.960 . 3.960 3.362 3.136 3.527 . 0 0 "[ . 1 . 2]" 1
608 1 26 MET H 1 26 MET QG 3.390 . 3.390 2.256 2.062 2.393 . 0 0 "[ . 1 . 2]" 1
609 1 26 MET H 1 26 MET HG3 3.960 . 3.960 2.294 2.079 2.445 . 0 0 "[ . 1 . 2]" 1
610 1 26 MET H 1 27 ILE H 3.410 . 3.410 2.620 2.571 2.740 . 0 0 "[ . 1 . 2]" 1
611 1 26 MET H 1 27 ILE QG 5.500 . 5.500 4.137 4.027 4.243 . 0 0 "[ . 1 . 2]" 1
612 1 26 MET H 1 28 VAL H 4.740 . 4.740 4.138 4.040 4.304 . 0 0 "[ . 1 . 2]" 1
613 1 26 MET H 1 28 VAL QG 5.180 . 5.180 4.861 4.742 4.988 . 0 0 "[ . 1 . 2]" 1
614 1 26 MET H 1 29 ASN H 4.820 . 4.820 4.714 4.599 4.815 . 0 0 "[ . 1 . 2]" 1
615 1 26 MET HA 1 26 MET ME 4.600 . 4.600 4.309 3.944 4.480 . 0 0 "[ . 1 . 2]" 1
616 1 26 MET HA 1 26 MET HG2 3.810 . 3.810 2.490 2.405 2.652 . 0 0 "[ . 1 . 2]" 1
617 1 26 MET HA 1 26 MET QG 3.280 . 3.280 2.396 2.339 2.495 . 0 0 "[ . 1 . 2]" 1
618 1 26 MET HA 1 26 MET HG3 3.810 . 3.810 3.149 2.983 3.245 . 0 0 "[ . 1 . 2]" 1
619 1 26 MET HA 1 29 ASN H 4.300 . 4.300 3.524 3.298 3.643 . 0 0 "[ . 1 . 2]" 1
620 1 26 MET HA 1 29 ASN HA 5.500 . 5.500 5.455 5.289 5.515 0.015 12 0 "[ . 1 . 2]" 1
621 1 26 MET HA 1 29 ASN HB2 4.280 . 4.280 3.033 2.666 4.447 0.167 3 0 "[ . 1 . 2]" 1
622 1 26 MET HA 1 29 ASN QB 3.600 . 3.600 2.795 2.642 3.615 0.015 3 0 "[ . 1 . 2]" 1
623 1 26 MET HA 1 29 ASN HB3 4.280 . 4.280 4.121 3.263 4.301 0.021 16 0 "[ . 1 . 2]" 1
624 1 26 MET HA 1 30 TRP H 4.700 . 4.700 4.161 3.778 4.356 . 0 0 "[ . 1 . 2]" 1
625 1 26 MET HB2 1 26 MET ME 4.670 . 4.670 2.332 2.079 2.865 . 0 0 "[ . 1 . 2]" 1
626 1 26 MET HB2 1 27 ILE H 3.960 . 3.960 2.616 2.454 2.736 . 0 0 "[ . 1 . 2]" 1
627 1 26 MET HB2 1 27 ILE QG 4.850 . 4.850 3.255 3.094 3.432 . 0 0 "[ . 1 . 2]" 1
628 1 26 MET ME 1 27 ILE H 4.930 . 4.930 4.422 4.124 4.900 . 0 0 "[ . 1 . 2]" 1
629 1 26 MET HG2 1 27 ILE H 4.940 . 4.940 4.938 4.901 4.982 0.042 4 0 "[ . 1 . 2]" 1
630 1 26 MET HG3 1 27 ILE H 4.940 . 4.940 4.295 4.146 4.387 . 0 0 "[ . 1 . 2]" 1
631 1 27 ILE H 1 27 ILE HB 3.480 . 3.480 2.528 2.438 2.587 . 0 0 "[ . 1 . 2]" 1
632 1 27 ILE H 1 27 ILE MD 4.080 . 4.080 3.562 3.494 3.639 . 0 0 "[ . 1 . 2]" 1
633 1 27 ILE H 1 27 ILE QG 3.430 . 3.430 2.113 1.999 2.283 . 0 0 "[ . 1 . 2]" 1
634 1 27 ILE H 1 27 ILE MG 3.780 . 3.780 3.768 3.751 3.776 . 0 0 "[ . 1 . 2]" 1
635 1 27 ILE H 1 28 VAL H 3.430 . 3.430 2.669 2.620 2.752 . 0 0 "[ . 1 . 2]" 1
636 1 27 ILE H 1 28 VAL QG 4.220 . 4.220 4.039 3.975 4.141 . 0 0 "[ . 1 . 2]" 1
637 1 27 ILE H 1 29 ASN H 4.560 . 4.560 4.168 4.057 4.345 . 0 0 "[ . 1 . 2]" 1
638 1 27 ILE HA 1 27 ILE MD 3.970 . 3.970 3.832 3.808 3.854 . 0 0 "[ . 1 . 2]" 1
639 1 27 ILE HA 1 27 ILE QG 3.540 . 3.540 2.401 2.360 2.440 . 0 0 "[ . 1 . 2]" 1
640 1 27 ILE HA 1 27 ILE MG 3.120 . 3.120 2.411 2.377 2.455 . 0 0 "[ . 1 . 2]" 1
641 1 27 ILE HA 1 30 TRP H 4.020 . 4.020 3.595 3.470 3.732 . 0 0 "[ . 1 . 2]" 1
642 1 27 ILE HA 1 30 TRP HE3 3.700 . 3.700 2.684 2.459 2.924 . 0 0 "[ . 1 . 2]" 1
643 1 27 ILE HA 1 30 TRP HZ3 5.250 . 5.250 4.597 4.379 4.889 . 0 0 "[ . 1 . 2]" 1
644 1 27 ILE HB 1 27 ILE MD 3.610 . 3.610 2.409 2.385 2.446 . 0 0 "[ . 1 . 2]" 1
645 1 27 ILE HB 1 28 VAL H 3.600 . 3.600 2.587 2.483 2.637 . 0 0 "[ . 1 . 2]" 1
646 1 27 ILE HB 1 28 VAL QG 3.710 . 3.710 3.143 3.094 3.195 . 0 0 "[ . 1 . 2]" 1
647 1 27 ILE HB 1 30 TRP HE3 5.340 . 5.340 4.818 4.697 5.029 . 0 0 "[ . 1 . 2]" 1
648 1 27 ILE MD 1 27 ILE MG 2.640 . 2.640 1.960 1.922 2.037 . 0 0 "[ . 1 . 2]" 1
649 1 27 ILE MD 1 28 VAL H 4.620 . 4.620 4.549 4.453 4.619 . 0 0 "[ . 1 . 2]" 1
650 1 27 ILE MD 1 30 TRP HZ3 4.890 . 4.890 4.880 4.774 4.911 0.021 15 0 "[ . 1 . 2]" 1
651 1 27 ILE MG 1 28 VAL H 3.760 . 3.760 3.390 3.230 3.494 . 0 0 "[ . 1 . 2]" 1
652 1 27 ILE MG 1 28 VAL HA 3.770 . 3.770 3.382 3.241 3.479 . 0 0 "[ . 1 . 2]" 1
653 1 27 ILE MG 1 28 VAL QG 3.630 . 3.630 3.439 3.267 3.581 . 0 0 "[ . 1 . 2]" 1
654 1 27 ILE MG 1 30 TRP H 5.120 . 5.120 4.683 4.532 4.862 . 0 0 "[ . 1 . 2]" 1
655 1 27 ILE MG 1 30 TRP QB 4.720 . 4.720 3.788 3.547 4.046 . 0 0 "[ . 1 . 2]" 1
656 1 27 ILE MG 1 30 TRP HE3 4.290 . 4.290 2.403 2.214 2.658 . 0 0 "[ . 1 . 2]" 1
657 1 27 ILE MG 1 30 TRP HZ3 4.290 . 4.290 2.769 2.576 2.984 . 0 0 "[ . 1 . 2]" 1
658 1 27 ILE MG 1 31 LEU H 4.410 . 4.410 4.010 3.903 4.144 . 0 0 "[ . 1 . 2]" 1
659 1 27 ILE MG 1 31 LEU QB 4.070 . 4.070 3.822 3.538 4.075 0.005 5 0 "[ . 1 . 2]" 1
660 1 28 VAL H 1 28 VAL HB 3.300 . 3.300 2.522 2.477 2.602 . 0 0 "[ . 1 . 2]" 1
661 1 28 VAL H 1 28 VAL MG1 3.780 . 3.780 3.769 3.762 3.777 . 0 0 "[ . 1 . 2]" 1
662 1 28 VAL H 1 28 VAL QG 2.840 . 2.840 2.097 1.970 2.162 . 0 0 "[ . 1 . 2]" 1
663 1 28 VAL H 1 28 VAL MG2 3.780 . 3.780 2.108 1.977 2.175 . 0 0 "[ . 1 . 2]" 1
664 1 28 VAL H 1 29 ASN H 3.640 . 3.640 2.664 2.608 2.744 . 0 0 "[ . 1 . 2]" 1
665 1 28 VAL H 1 29 ASN HA 5.480 . 5.480 5.265 5.223 5.326 . 0 0 "[ . 1 . 2]" 1
666 1 28 VAL H 1 30 TRP H 4.800 . 4.800 4.054 3.834 4.269 . 0 0 "[ . 1 . 2]" 1
667 1 28 VAL H 1 31 LEU QD 5.310 . 5.310 4.550 4.192 4.928 . 0 0 "[ . 1 . 2]" 1
668 1 28 VAL HA 1 28 VAL MG1 3.020 . 3.020 2.406 2.372 2.433 . 0 0 "[ . 1 . 2]" 1
669 1 28 VAL HA 1 28 VAL QG 2.640 . 2.640 2.132 2.122 2.149 . 0 0 "[ . 1 . 2]" 1
670 1 28 VAL HA 1 28 VAL MG2 3.020 . 3.020 2.382 2.362 2.420 . 0 0 "[ . 1 . 2]" 1
671 1 28 VAL HA 1 31 LEU H 4.250 . 4.250 3.484 3.397 3.645 . 0 0 "[ . 1 . 2]" 1
672 1 28 VAL HA 1 31 LEU QB 3.760 . 3.760 2.734 2.478 2.974 . 0 0 "[ . 1 . 2]" 1
673 1 28 VAL HA 1 32 ASN H 4.470 . 4.470 4.135 3.805 4.332 . 0 0 "[ . 1 . 2]" 1
674 1 28 VAL HA 1 32 ASN QD 4.840 . 4.840 3.970 3.314 4.843 0.003 2 0 "[ . 1 . 2]" 1
675 1 28 VAL QG 1 29 ASN HA 4.110 . 4.110 3.347 3.186 3.490 . 0 0 "[ . 1 . 2]" 1
676 1 28 VAL QG 1 31 LEU H 5.440 . 5.440 4.391 4.315 4.537 . 0 0 "[ . 1 . 2]" 1
677 1 28 VAL QG 1 31 LEU QB 4.430 . 4.430 3.574 3.366 3.792 . 0 0 "[ . 1 . 2]" 1
678 1 28 VAL QG 1 32 ASN H 4.990 . 4.990 3.948 3.816 4.053 . 0 0 "[ . 1 . 2]" 1
679 1 28 VAL QG 1 32 ASN HA 4.810 . 4.810 4.819 4.739 4.854 0.044 3 0 "[ . 1 . 2]" 1
680 1 28 VAL QG 1 32 ASN QB 4.120 . 4.120 3.734 3.398 4.044 . 0 0 "[ . 1 . 2]" 1
681 1 28 VAL QG 1 32 ASN QD 3.050 . 3.050 2.071 1.575 2.782 . 0 0 "[ . 1 . 2]" 1
682 1 28 VAL MG1 1 29 ASN H 4.140 . 4.140 3.380 3.138 3.530 . 0 0 "[ . 1 . 2]" 1
683 1 28 VAL MG1 1 29 ASN HA 5.500 . 5.500 3.381 3.210 3.535 . 0 0 "[ . 1 . 2]" 1
684 1 28 VAL MG2 1 29 ASN H 4.140 . 4.140 3.824 3.769 3.884 . 0 0 "[ . 1 . 2]" 1
685 1 28 VAL MG2 1 29 ASN HA 5.500 . 5.500 5.388 5.354 5.411 . 0 0 "[ . 1 . 2]" 1
686 1 29 ASN H 1 29 ASN HB2 3.980 . 3.980 2.630 2.329 3.601 . 0 0 "[ . 1 . 2]" 1
687 1 29 ASN H 1 29 ASN QB 3.340 . 3.340 2.360 2.300 2.458 . 0 0 "[ . 1 . 2]" 1
688 1 29 ASN H 1 29 ASN HB3 3.980 . 3.980 3.345 2.355 3.585 . 0 0 "[ . 1 . 2]" 1
689 1 29 ASN H 1 29 ASN HD21 4.950 . 4.950 3.641 1.896 4.633 . 0 0 "[ . 1 . 2]" 1
690 1 29 ASN H 1 29 ASN QD 4.140 . 4.140 3.414 1.888 4.154 0.014 16 0 "[ . 1 . 2]" 1
691 1 29 ASN H 1 29 ASN HD22 4.950 . 4.950 4.214 3.474 4.695 . 0 0 "[ . 1 . 2]" 1
692 1 29 ASN H 1 30 TRP H 3.760 . 3.760 2.665 2.564 2.751 . 0 0 "[ . 1 . 2]" 1
693 1 29 ASN HA 1 29 ASN HD22 5.500 . 5.500 4.486 3.322 5.403 . 0 0 "[ . 1 . 2]" 1
694 1 29 ASN HA 1 32 ASN H 4.700 . 4.700 3.544 3.372 3.737 . 0 0 "[ . 1 . 2]" 1
695 1 29 ASN HA 1 32 ASN HB2 4.560 . 4.560 2.625 2.296 2.790 . 0 0 "[ . 1 . 2]" 1
696 1 29 ASN HA 1 32 ASN QB 4.010 . 4.010 2.598 2.278 2.760 . 0 0 "[ . 1 . 2]" 1
697 1 29 ASN HA 1 32 ASN HB3 4.560 . 4.560 4.160 3.783 4.395 . 0 0 "[ . 1 . 2]" 1
698 1 29 ASN HA 1 32 ASN QD 4.580 . 4.580 3.346 1.801 4.475 . 0 0 "[ . 1 . 2]" 1
699 1 29 ASN HB2 1 30 TRP H 4.500 . 4.500 3.003 2.545 4.137 . 0 0 "[ . 1 . 2]" 1
700 1 29 ASN HB3 1 30 TRP H 4.500 . 4.500 3.669 3.427 4.081 . 0 0 "[ . 1 . 2]" 1
701 1 30 TRP H 1 30 TRP HB2 3.820 . 3.820 2.872 2.836 2.900 . 0 0 "[ . 1 . 2]" 1
702 1 30 TRP H 1 30 TRP QB 3.320 . 3.320 2.153 2.125 2.173 . 0 0 "[ . 1 . 2]" 1
703 1 30 TRP H 1 30 TRP HB3 3.820 . 3.820 2.225 2.187 2.251 . 0 0 "[ . 1 . 2]" 1
704 1 30 TRP H 1 30 TRP HD1 5.280 . 5.280 5.134 5.107 5.168 . 0 0 "[ . 1 . 2]" 1
705 1 30 TRP H 1 30 TRP HE3 4.950 . 4.950 4.232 4.116 4.307 . 0 0 "[ . 1 . 2]" 1
706 1 30 TRP H 1 31 LEU H 3.740 . 3.740 2.664 2.633 2.718 . 0 0 "[ . 1 . 2]" 1
707 1 30 TRP H 1 31 LEU QD 5.250 . 5.250 4.887 3.925 5.071 . 0 0 "[ . 1 . 2]" 1
708 1 30 TRP HA 1 30 TRP HD1 3.840 . 3.840 2.885 2.830 3.000 . 0 0 "[ . 1 . 2]" 1
709 1 30 TRP HA 1 32 ASN H 5.280 . 5.280 4.188 4.090 4.511 . 0 0 "[ . 1 . 2]" 1
710 1 30 TRP HA 1 33 LYS H 4.460 . 4.460 3.614 3.495 3.775 . 0 0 "[ . 1 . 2]" 1
711 1 30 TRP HA 1 33 LYS QB 4.750 . 4.750 3.363 2.669 4.206 . 0 0 "[ . 1 . 2]" 1
712 1 30 TRP HA 1 33 LYS QD 5.070 . 5.070 4.438 3.861 4.943 . 0 0 "[ . 1 . 2]" 1
713 1 30 TRP HA 1 33 LYS QG 5.310 . 5.310 3.811 2.219 5.139 . 0 0 "[ . 1 . 2]" 1
714 1 30 TRP HA 1 34 ARG H 5.280 . 5.280 4.683 4.115 5.206 . 0 0 "[ . 1 . 2]" 1
715 1 30 TRP HA 1 34 ARG QG 5.500 . 5.500 4.734 4.311 5.005 . 0 0 "[ . 1 . 2]" 1
716 1 30 TRP QB 1 30 TRP HD1 3.410 . 3.410 2.858 2.823 2.881 . 0 0 "[ . 1 . 2]" 1
717 1 30 TRP QB 1 31 LEU QD 4.770 . 4.770 4.161 2.990 4.327 . 0 0 "[ . 1 . 2]" 1
718 1 30 TRP HB2 1 30 TRP HE3 4.080 . 4.080 3.841 3.806 3.886 . 0 0 "[ . 1 . 2]" 1
719 1 30 TRP HB2 1 31 LEU H 4.300 . 4.300 3.962 3.912 4.043 . 0 0 "[ . 1 . 2]" 1
720 1 30 TRP HB3 1 30 TRP HE3 4.080 . 4.080 2.387 2.372 2.395 . 0 0 "[ . 1 . 2]" 1
721 1 30 TRP HB3 1 31 LEU H 4.300 . 4.300 2.614 2.538 2.747 . 0 0 "[ . 1 . 2]" 1
722 1 30 TRP HD1 1 31 LEU H 5.500 . 5.500 5.013 4.974 5.065 . 0 0 "[ . 1 . 2]" 1
723 1 30 TRP HD1 1 31 LEU HA 5.030 . 5.030 5.045 5.011 5.065 0.035 8 0 "[ . 1 . 2]" 1
724 1 30 TRP HD1 1 33 LYS QE 5.500 . 5.500 4.109 1.895 5.509 0.009 20 0 "[ . 1 . 2]" 1
725 1 30 TRP HD1 1 33 LYS QG 4.990 . 4.990 4.288 3.120 5.007 0.017 6 0 "[ . 1 . 2]" 1
726 1 30 TRP HD1 1 34 ARG QD 5.500 . 5.500 4.281 3.668 5.470 . 0 0 "[ . 1 . 2]" 1
727 1 30 TRP HD1 1 34 ARG QG 5.330 . 5.330 4.261 3.494 4.577 . 0 0 "[ . 1 . 2]" 1
728 1 30 TRP HE1 1 31 LEU QD 5.440 . 5.440 4.947 4.162 5.144 . 0 0 "[ . 1 . 2]" 1
729 1 30 TRP HE1 1 34 ARG QD 5.100 . 5.100 2.937 2.455 4.638 . 0 0 "[ . 1 . 2]" 1
730 1 30 TRP HE3 1 31 LEU H 4.470 . 4.470 3.258 3.220 3.294 . 0 0 "[ . 1 . 2]" 1
731 1 30 TRP HE3 1 31 LEU QD 3.510 . 3.510 3.220 1.955 3.438 . 0 0 "[ . 1 . 2]" 1
732 1 30 TRP HE3 1 31 LEU HG 4.690 . 4.690 2.696 2.450 4.726 0.036 6 0 "[ . 1 . 2]" 1
733 1 30 TRP HE3 1 34 ARG QG 5.500 . 5.500 5.371 4.991 5.508 0.008 4 0 "[ . 1 . 2]" 1
734 1 30 TRP HH2 1 31 LEU QD 4.930 . 4.930 3.411 3.020 3.649 . 0 0 "[ . 1 . 2]" 1
735 1 30 TRP HH2 1 34 ARG QD 5.130 . 5.130 3.959 3.671 4.922 . 0 0 "[ . 1 . 2]" 1
736 1 30 TRP HZ2 1 34 ARG QD 4.870 . 4.870 2.963 2.590 4.369 . 0 0 "[ . 1 . 2]" 1
737 1 30 TRP HZ3 1 31 LEU H 5.500 . 5.500 5.179 5.121 5.232 . 0 0 "[ . 1 . 2]" 1
738 1 30 TRP HZ3 1 31 LEU QB 5.070 . 5.070 5.087 5.054 5.160 0.090 6 0 "[ . 1 . 2]" 1
739 1 30 TRP HZ3 1 31 LEU QD 3.640 . 3.640 2.869 2.234 3.110 . 0 0 "[ . 1 . 2]" 1
740 1 30 TRP HZ3 1 31 LEU HG 4.580 . 4.580 3.170 3.064 4.535 . 0 0 "[ . 1 . 2]" 1
741 1 31 LEU H 1 31 LEU QB 3.800 . 3.800 2.237 2.176 2.297 . 0 0 "[ . 1 . 2]" 1
742 1 31 LEU H 1 31 LEU QD 3.750 . 3.750 3.193 2.257 3.332 . 0 0 "[ . 1 . 2]" 1
743 1 31 LEU H 1 31 LEU HG 4.170 . 4.170 2.785 2.548 4.228 0.058 6 0 "[ . 1 . 2]" 1
744 1 31 LEU H 1 32 ASN H 3.840 . 3.840 2.632 2.580 2.693 . 0 0 "[ . 1 . 2]" 1
745 1 31 LEU H 1 34 ARG QG 4.370 . 4.370 4.158 3.961 4.322 . 0 0 "[ . 1 . 2]" 1
746 1 31 LEU HA 1 31 LEU MD1 3.740 . 3.740 3.718 1.851 3.837 0.097 5 0 "[ . 1 . 2]" 1
747 1 31 LEU HA 1 31 LEU QD 3.240 . 3.240 2.041 1.842 2.142 . 0 0 "[ . 1 . 2]" 1
748 1 31 LEU HA 1 31 LEU MD2 3.740 . 3.740 2.123 1.972 3.330 . 0 0 "[ . 1 . 2]" 1
749 1 31 LEU HA 1 31 LEU HG 4.160 . 4.160 2.735 2.635 3.471 . 0 0 "[ . 1 . 2]" 1
750 1 31 LEU HA 1 34 ARG QG 3.500 . 3.500 1.898 1.757 2.119 . 0 0 "[ . 1 . 2]" 1
751 1 31 LEU QB 1 31 LEU QD 2.830 . 2.830 1.922 1.901 2.024 . 0 0 "[ . 1 . 2]" 1
752 1 31 LEU QB 1 32 ASN H 4.350 . 4.350 2.838 2.669 2.923 . 0 0 "[ . 1 . 2]" 1
753 1 31 LEU QB 1 34 ARG QG 3.780 . 3.780 3.665 3.519 3.802 0.022 1 0 "[ . 1 . 2]" 1
754 1 31 LEU QD 1 32 ASN H 4.840 . 4.840 4.225 3.928 4.290 . 0 0 "[ . 1 . 2]" 1
755 1 31 LEU QD 1 34 ARG QG 3.330 . 3.330 2.608 2.074 2.914 . 0 0 "[ . 1 . 2]" 1
756 1 31 LEU MD1 1 32 ASN H 5.500 . 5.500 4.720 4.504 4.862 . 0 0 "[ . 1 . 2]" 1
757 1 31 LEU MD2 1 32 ASN H 5.500 . 5.500 4.769 4.327 4.850 . 0 0 "[ . 1 . 2]" 1
758 1 31 LEU HG 1 34 ARG QG 4.070 . 4.070 4.106 4.083 4.164 0.094 6 0 "[ . 1 . 2]" 1
759 1 32 ASN H 1 32 ASN HB2 4.030 . 4.030 2.354 2.279 2.434 . 0 0 "[ . 1 . 2]" 1
760 1 32 ASN H 1 32 ASN QB 3.490 . 3.490 2.323 2.253 2.397 . 0 0 "[ . 1 . 2]" 1
761 1 32 ASN H 1 32 ASN HB3 4.030 . 4.030 3.574 3.549 3.596 . 0 0 "[ . 1 . 2]" 1
762 1 32 ASN H 1 32 ASN HD21 5.070 . 5.070 3.118 2.053 4.723 . 0 0 "[ . 1 . 2]" 1
763 1 32 ASN H 1 32 ASN QD 4.430 . 4.430 2.963 2.042 4.285 . 0 0 "[ . 1 . 2]" 1
764 1 32 ASN H 1 32 ASN HD22 5.070 . 5.070 4.059 3.618 4.909 . 0 0 "[ . 1 . 2]" 1
765 1 32 ASN H 1 33 LYS H 3.770 . 3.770 2.557 2.504 2.655 . 0 0 "[ . 1 . 2]" 1
766 1 32 ASN H 1 34 ARG QG 4.580 . 4.580 4.369 4.135 4.521 . 0 0 "[ . 1 . 2]" 1
767 1 32 ASN HA 1 32 ASN QD 4.430 . 4.430 3.102 1.677 4.048 . 0 0 "[ . 1 . 2]" 1
768 1 32 ASN HA 1 32 ASN HD22 5.110 . 5.110 4.040 3.312 4.656 . 0 0 "[ . 1 . 2]" 1
769 1 32 ASN HA 1 34 ARG H 4.780 . 4.780 4.393 3.891 4.796 0.016 7 0 "[ . 1 . 2]" 1
770 1 32 ASN HA 1 34 ARG QG 5.170 . 5.170 4.891 4.660 5.129 . 0 0 "[ . 1 . 2]" 1
771 1 32 ASN HA 1 35 LYS H 5.210 . 5.210 4.083 3.421 5.238 0.028 19 0 "[ . 1 . 2]" 1
772 1 32 ASN HA 1 35 LYS HA 5.500 . 5.500 4.405 3.438 5.373 . 0 0 "[ . 1 . 2]" 1
773 1 32 ASN HA 1 35 LYS QD 5.130 . 5.130 4.071 3.143 5.097 . 0 0 "[ . 1 . 2]" 1
774 1 32 ASN HB2 1 33 LYS H 4.730 . 4.730 3.138 2.722 3.325 . 0 0 "[ . 1 . 2]" 1
775 1 32 ASN HB3 1 33 LYS H 4.730 . 4.730 3.900 3.522 4.062 . 0 0 "[ . 1 . 2]" 1
776 1 33 LYS H 1 33 LYS QB 3.790 . 3.790 2.400 2.208 2.651 . 0 0 "[ . 1 . 2]" 1
777 1 33 LYS H 1 33 LYS QD 4.320 . 4.320 4.146 3.877 4.360 0.040 7 0 "[ . 1 . 2]" 1
778 1 33 LYS H 1 33 LYS QG 4.250 . 4.250 3.366 2.068 4.097 . 0 0 "[ . 1 . 2]" 1
779 1 33 LYS H 1 34 ARG H 3.530 . 3.530 2.320 2.095 2.516 . 0 0 "[ . 1 . 2]" 1
780 1 33 LYS H 1 34 ARG HA 5.500 . 5.500 4.997 4.816 5.170 . 0 0 "[ . 1 . 2]" 1
781 1 33 LYS H 1 34 ARG QG 4.820 . 4.820 3.620 3.370 3.940 . 0 0 "[ . 1 . 2]" 1
782 1 33 LYS H 1 35 LYS QD 5.310 . 5.310 5.001 4.375 5.340 0.030 18 0 "[ . 1 . 2]" 1
783 1 33 LYS HA 1 33 LYS QD 3.950 . 3.950 3.655 3.366 4.034 0.084 7 0 "[ . 1 . 2]" 1
784 1 33 LYS HA 1 33 LYS QG 3.820 . 3.820 2.825 2.334 3.435 . 0 0 "[ . 1 . 2]" 1
785 1 33 LYS HA 1 34 ARG HA 5.500 . 5.500 4.632 4.473 4.750 . 0 0 "[ . 1 . 2]" 1
786 1 33 LYS HA 1 35 LYS H 5.050 . 5.050 3.827 3.359 4.777 . 0 0 "[ . 1 . 2]" 1
787 1 33 LYS HA 1 35 LYS QD 4.000 . 4.000 3.751 2.837 4.022 0.022 12 0 "[ . 1 . 2]" 1
788 1 33 LYS QB 1 33 LYS QD 2.860 . 2.860 2.166 2.092 2.355 . 0 0 "[ . 1 . 2]" 1
789 1 33 LYS QB 1 34 ARG H 4.310 . 4.310 3.041 2.420 3.863 . 0 0 "[ . 1 . 2]" 1
790 1 33 LYS QD 1 34 ARG H 4.210 . 4.210 3.450 2.646 4.228 0.018 19 0 "[ . 1 . 2]" 1
791 1 33 LYS QE 1 34 ARG H 5.500 . 5.500 4.757 2.875 5.515 0.015 6 0 "[ . 1 . 2]" 1
792 1 33 LYS QE 1 34 ARG HA 5.210 . 5.210 4.437 3.417 5.259 0.049 19 0 "[ . 1 . 2]" 1
793 1 33 LYS QG 1 33 LYS QZ 4.120 . 4.120 2.533 1.877 3.363 . 0 0 "[ . 1 . 2]" 1
794 1 33 LYS QZ 1 34 ARG HB2 5.450 . 5.450 4.815 3.061 5.478 0.028 1 0 "[ . 1 . 2]" 1
795 1 33 LYS QZ 1 34 ARG QB 4.590 . 4.590 3.612 1.682 4.481 . 0 0 "[ . 1 . 2]" 1
796 1 33 LYS QZ 1 34 ARG HB3 5.450 . 5.450 3.757 1.690 4.768 . 0 0 "[ . 1 . 2]" 1
797 1 34 ARG H 1 34 ARG HB2 3.800 . 3.800 3.614 2.699 3.814 0.014 5 0 "[ . 1 . 2]" 1
798 1 34 ARG H 1 34 ARG HB3 3.800 . 3.800 2.843 2.532 3.602 . 0 0 "[ . 1 . 2]" 1
799 1 34 ARG H 1 34 ARG QD 5.500 . 5.500 3.935 3.530 4.194 . 0 0 "[ . 1 . 2]" 1
800 1 34 ARG H 1 34 ARG QG 3.820 . 3.820 2.101 1.870 2.325 . 0 0 "[ . 1 . 2]" 1
801 1 34 ARG H 1 35 LYS H 3.610 . 3.610 2.674 1.967 3.616 0.006 6 0 "[ . 1 . 2]" 1
802 1 34 ARG H 1 35 LYS HA 5.270 . 5.270 4.650 4.110 4.909 . 0 0 "[ . 1 . 2]" 1
803 1 34 ARG HA 1 34 ARG QG 3.710 . 3.710 3.313 2.556 3.435 . 0 0 "[ . 1 . 2]" 1
804 1 34 ARG QB 1 34 ARG QD 3.460 . 3.460 2.376 2.323 2.609 . 0 0 "[ . 1 . 2]" 1
805 1 34 ARG QB 1 35 LYS H 4.400 . 4.400 3.849 3.071 4.034 . 0 0 "[ . 1 . 2]" 1
806 1 34 ARG QG 1 35 LYS H 4.650 . 4.650 3.355 1.969 4.366 . 0 0 "[ . 1 . 2]" 1
807 1 35 LYS H 1 35 LYS QB 3.500 . 3.500 2.901 2.492 3.355 . 0 0 "[ . 1 . 2]" 1
808 1 35 LYS H 1 35 LYS QD 4.380 . 4.380 2.998 1.571 4.406 0.026 13 0 "[ . 1 . 2]" 1
809 1 35 LYS H 1 35 LYS QG 3.820 . 3.820 2.529 1.766 3.666 . 0 0 "[ . 1 . 2]" 1
810 1 35 LYS HA 1 35 LYS QD 4.520 . 4.520 3.670 2.033 4.450 . 0 0 "[ . 1 . 2]" 1
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