NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
425419 |
2gji   |
7099 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2gji
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 1069
_Distance_constraint_stats_list.Viol_count 466
_Distance_constraint_stats_list.Viol_total 429.699
_Distance_constraint_stats_list.Viol_max 0.804
_Distance_constraint_stats_list.Viol_rms 0.0371
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0922
_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 5 ALA 0.000 0.000 . 0 "[ . 1]"
1 6 THR 0.019 0.012 7 0 "[ . 1]"
1 7 PHE 0.110 0.019 3 0 "[ . 1]"
1 8 GLN 3.629 0.350 9 0 "[ . 1]"
1 9 THR 0.176 0.077 7 0 "[ . 1]"
1 10 ASP 0.052 0.024 2 0 "[ . 1]"
1 11 ALA 0.048 0.024 2 0 "[ . 1]"
1 12 ASP 0.001 0.001 2 0 "[ . 1]"
1 13 PHE 0.262 0.165 2 0 "[ . 1]"
1 14 LEU 2.912 0.475 3 0 "[ . 1]"
1 15 LEU 0.723 0.253 6 0 "[ . 1]"
1 16 VAL 1.761 0.486 5 0 "[ . 1]"
1 17 GLY 0.830 0.707 5 1 "[ + 1]"
1 18 ASP 0.011 0.011 10 0 "[ . 1]"
1 19 ASP 1.542 0.350 4 0 "[ . 1]"
1 20 THR 0.037 0.025 10 0 "[ . 1]"
1 21 SER 0.000 0.000 . 0 "[ . 1]"
1 22 ARG 2.571 0.338 2 0 "[ . 1]"
1 23 TYR 0.278 0.194 3 0 "[ . 1]"
1 24 GLU 0.000 0.000 . 0 "[ . 1]"
1 25 GLU 2.539 0.377 7 0 "[ . 1]"
1 26 VAL 2.799 0.377 7 0 "[ . 1]"
1 27 MET 0.529 0.270 10 0 "[ . 1]"
1 28 LYS 1.585 0.687 4 2 "[ +.- 1]"
1 29 THR 0.177 0.094 5 0 "[ . 1]"
1 30 PHE 0.297 0.036 8 0 "[ . 1]"
1 31 ASP 0.461 0.181 6 0 "[ . 1]"
1 32 THR 0.005 0.005 5 0 "[ . 1]"
1 33 VAL 3.614 0.765 5 3 "[ * +- 1]"
1 34 GLU 1.099 0.804 2 1 "[ + . 1]"
1 35 ALA 1.117 0.804 2 1 "[ + . 1]"
1 36 VAL 0.279 0.270 10 0 "[ . 1]"
1 37 ARG 0.323 0.107 2 0 "[ . 1]"
1 38 LYS 0.094 0.059 9 0 "[ . 1]"
1 39 SER 0.091 0.059 9 0 "[ . 1]"
1 40 ASP 0.613 0.453 7 0 "[ . 1]"
1 41 LEU 0.397 0.235 10 0 "[ . 1]"
1 42 ASP 0.246 0.235 10 0 "[ . 1]"
1 43 ASP 0.089 0.018 10 0 "[ . 1]"
1 44 ARG 0.718 0.707 5 1 "[ + 1]"
1 45 VAL 0.105 0.018 10 0 "[ . 1]"
1 46 TYR 0.048 0.018 10 0 "[ . 1]"
1 47 MET 0.314 0.107 2 0 "[ . 1]"
1 48 VAL 0.594 0.165 2 0 "[ . 1]"
1 49 CYS 0.039 0.016 10 0 "[ . 1]"
1 50 LEU 0.687 0.127 10 0 "[ . 1]"
1 51 LYS 3.372 0.765 5 3 "[ * +- 1]"
1 52 GLN 0.000 0.000 . 0 "[ . 1]"
1 53 GLY 0.000 0.000 . 0 "[ . 1]"
1 54 SER 0.264 0.127 10 0 "[ . 1]"
1 55 THR 2.690 0.350 9 0 "[ . 1]"
1 56 PHE 0.105 0.013 3 0 "[ . 1]"
1 57 VAL 4.206 0.387 8 0 "[ . 1]"
1 58 LEU 0.283 0.114 3 0 "[ . 1]"
1 59 ASN 0.322 0.208 3 0 "[ . 1]"
1 60 GLY 0.359 0.208 3 0 "[ . 1]"
1 61 GLY 0.237 0.114 3 0 "[ . 1]"
1 62 ILE 3.080 0.536 7 2 "[ . + -1]"
1 63 GLU 3.117 0.536 7 2 "[ . + -1]"
1 64 GLU 0.067 0.045 3 0 "[ . 1]"
1 65 LEU 1.567 0.796 5 1 "[ + 1]"
1 66 ARG 0.747 0.090 5 0 "[ . 1]"
1 67 LEU 0.255 0.157 6 0 "[ . 1]"
1 68 LEU 0.011 0.007 5 0 "[ . 1]"
1 69 THR 3.022 0.796 5 1 "[ + 1]"
1 70 GLY 2.846 0.236 9 0 "[ . 1]"
1 71 ASP 1.517 0.236 9 0 "[ . 1]"
1 72 SER 0.042 0.017 6 0 "[ . 1]"
1 73 THR 0.014 0.006 1 0 "[ . 1]"
1 74 LEU 0.586 0.085 3 0 "[ . 1]"
1 75 GLU 0.215 0.070 9 0 "[ . 1]"
1 76 ILE 0.441 0.128 5 0 "[ . 1]"
1 77 GLN 3.715 0.486 5 0 "[ . 1]"
1 78 PRO 0.278 0.087 2 0 "[ . 1]"
1 79 MET 1.975 0.517 7 1 "[ . + 1]"
1 80 ILE 0.912 0.517 7 1 "[ . + 1]"
1 81 VAL 2.703 0.679 5 4 "[** + - 1]"
1 82 PRO 0.138 0.138 8 0 "[ . 1]"
1 83 THR 0.174 0.138 8 0 "[ . 1]"
1 85 GLU 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 5 ALA H 1 6 THR H . . 3.660 3.278 2.572 3.657 . 0 0 "[ . 1]" 1
2 1 5 ALA HA 1 6 THR H . . 3.080 2.554 2.309 2.882 . 0 0 "[ . 1]" 1
3 1 6 THR H 1 6 THR HB . . 3.660 3.477 2.679 3.638 . 0 0 "[ . 1]" 1
4 1 6 THR H 1 6 THR MG . . 3.060 2.700 2.130 2.923 . 0 0 "[ . 1]" 1
5 1 6 THR H 1 7 PHE H . . 4.680 4.600 4.221 4.647 . 0 0 "[ . 1]" 1
6 1 6 THR HA 1 7 PHE H . . 2.670 2.312 2.244 2.355 . 0 0 "[ . 1]" 1
7 1 6 THR HA 1 7 PHE HB2 . . 5.180 4.270 4.200 4.439 . 0 0 "[ . 1]" 1
8 1 6 THR HA 1 59 ASN HA . . 4.790 4.585 4.346 4.748 . 0 0 "[ . 1]" 1
9 1 6 THR HB 1 7 PHE H . . 4.110 2.889 2.564 3.893 . 0 0 "[ . 1]" 1
10 1 6 THR HB 1 59 ASN HA . . 4.670 4.269 3.460 4.647 . 0 0 "[ . 1]" 1
11 1 6 THR HB 1 61 GLY H . . 5.100 4.935 4.277 5.103 0.003 7 0 "[ . 1]" 1
12 1 6 THR MG 1 7 PHE HA . . 5.230 4.986 3.927 5.242 0.012 7 0 "[ . 1]" 1
13 1 6 THR MG 1 61 GLY HA3 . . 5.420 4.369 3.905 5.420 . 0 0 "[ . 1]" 1
14 1 7 PHE H 1 7 PHE HB2 . . 3.500 3.204 3.082 3.392 . 0 0 "[ . 1]" 1
15 1 7 PHE H 1 7 PHE HB3 . . 3.280 2.905 2.814 2.969 . 0 0 "[ . 1]" 1
16 1 7 PHE H 1 8 GLN H . . 4.600 4.107 4.072 4.212 . 0 0 "[ . 1]" 1
17 1 7 PHE H 1 57 VAL MG1 . . 5.500 4.102 3.950 4.247 . 0 0 "[ . 1]" 1
18 1 7 PHE H 1 58 LEU H . . 3.750 3.004 2.789 3.277 . 0 0 "[ . 1]" 1
19 1 7 PHE H 1 58 LEU HB2 . . 3.700 2.245 1.953 2.569 . 0 0 "[ . 1]" 1
20 1 7 PHE H 1 58 LEU QD . . 5.500 3.533 3.387 3.792 . 0 0 "[ . 1]" 1
21 1 7 PHE H 1 59 ASN HA . . 5.030 4.999 4.888 5.034 0.004 3 0 "[ . 1]" 1
22 1 7 PHE H 1 61 GLY H . . 3.860 3.678 3.301 3.864 0.004 9 0 "[ . 1]" 1
23 1 7 PHE H 1 61 GLY HA2 . . 3.830 2.756 2.657 2.864 . 0 0 "[ . 1]" 1
24 1 7 PHE H 1 62 ILE H . . 5.340 5.305 5.195 5.359 0.019 3 0 "[ . 1]" 1
25 1 7 PHE H 1 62 ILE MD . . 5.500 5.040 4.849 5.374 . 0 0 "[ . 1]" 1
26 1 7 PHE HA 1 8 GLN H . . 2.610 2.140 2.139 2.142 . 0 0 "[ . 1]" 1
27 1 7 PHE HA 1 58 LEU HB2 . . 5.500 4.308 4.120 4.562 . 0 0 "[ . 1]" 1
28 1 7 PHE HB2 1 8 GLN H . . 4.460 4.371 4.275 4.404 . 0 0 "[ . 1]" 1
29 1 7 PHE HB2 1 58 LEU H . . 5.500 5.360 5.206 5.499 . 0 0 "[ . 1]" 1
30 1 7 PHE HB2 1 58 LEU HB2 . . 4.440 3.710 3.584 3.929 . 0 0 "[ . 1]" 1
31 1 7 PHE HB2 1 58 LEU HB3 . . 5.020 4.705 4.205 5.032 0.012 8 0 "[ . 1]" 1
32 1 7 PHE HB2 1 58 LEU QD . . 4.840 3.287 2.953 4.387 . 0 0 "[ . 1]" 1
33 1 7 PHE HB2 1 61 GLY H . . 5.500 5.406 5.119 5.508 0.008 3 0 "[ . 1]" 1
34 1 7 PHE HB2 1 61 GLY HA2 . . 4.370 3.225 2.887 3.393 . 0 0 "[ . 1]" 1
35 1 7 PHE HB2 1 61 GLY HA3 . . 5.500 4.286 3.585 4.626 . 0 0 "[ . 1]" 1
36 1 7 PHE HB2 1 62 ILE H . . 4.140 3.890 3.484 4.143 0.003 10 0 "[ . 1]" 1
37 1 7 PHE HB3 1 8 GLN H . . 4.430 4.218 4.172 4.340 . 0 0 "[ . 1]" 1
38 1 7 PHE HB3 1 58 LEU H . . 4.530 4.095 3.930 4.257 . 0 0 "[ . 1]" 1
39 1 7 PHE HB3 1 58 LEU HB2 . . 4.170 2.427 2.281 2.515 . 0 0 "[ . 1]" 1
40 1 7 PHE HB3 1 58 LEU HB3 . . 4.460 3.714 3.380 3.891 . 0 0 "[ . 1]" 1
41 1 7 PHE HB3 1 58 LEU QD . . 4.720 2.114 1.942 3.065 . 0 0 "[ . 1]" 1
42 1 7 PHE HB3 1 61 GLY H . . 5.310 4.964 4.577 5.217 . 0 0 "[ . 1]" 1
43 1 7 PHE HB3 1 61 GLY HA2 . . 4.560 3.231 2.616 3.591 . 0 0 "[ . 1]" 1
44 1 7 PHE HB3 1 62 ILE H . . 4.680 4.493 4.043 4.684 0.004 7 0 "[ . 1]" 1
45 1 8 GLN H 1 8 GLN HB2 . . 4.030 3.218 3.175 3.295 . 0 0 "[ . 1]" 1
46 1 8 GLN H 1 8 GLN HB3 . . 3.950 2.576 2.518 2.637 . 0 0 "[ . 1]" 1
47 1 8 GLN H 1 8 GLN HG2 . . 4.370 4.471 4.422 4.521 0.151 10 0 "[ . 1]" 1
48 1 8 GLN H 1 9 THR H . . 4.630 4.394 4.346 4.428 . 0 0 "[ . 1]" 1
49 1 8 GLN H 1 9 THR HA . . 5.430 4.999 4.910 5.051 . 0 0 "[ . 1]" 1
50 1 8 GLN H 1 9 THR HB . . 5.120 4.956 4.813 5.124 0.004 7 0 "[ . 1]" 1
51 1 8 GLN H 1 9 THR MG . . 5.160 5.070 4.915 5.152 . 0 0 "[ . 1]" 1
52 1 8 GLN H 1 57 VAL HA . . 5.500 4.776 4.720 4.845 . 0 0 "[ . 1]" 1
53 1 8 GLN H 1 57 VAL MG1 . . 5.500 4.710 4.583 4.809 . 0 0 "[ . 1]" 1
54 1 8 GLN H 1 57 VAL MG2 . . 5.500 5.172 5.018 5.251 . 0 0 "[ . 1]" 1
55 1 8 GLN HA 1 8 GLN HG3 . . 4.170 3.463 3.390 3.576 . 0 0 "[ . 1]" 1
56 1 8 GLN HA 1 9 THR H . . 2.590 2.184 2.163 2.215 . 0 0 "[ . 1]" 1
57 1 8 GLN HA 1 9 THR MG . . 4.800 3.548 3.447 3.636 . 0 0 "[ . 1]" 1
58 1 8 GLN HA 1 55 THR MG . . 4.410 3.974 3.782 4.151 . 0 0 "[ . 1]" 1
59 1 8 GLN HA 1 56 PHE H . . 5.500 5.481 5.379 5.506 0.006 8 0 "[ . 1]" 1
60 1 8 GLN HA 1 57 VAL H . . 4.840 4.768 4.704 4.819 . 0 0 "[ . 1]" 1
61 1 8 GLN HA 1 57 VAL HA . . 3.190 2.133 2.087 2.187 . 0 0 "[ . 1]" 1
62 1 8 GLN HA 1 57 VAL MG2 . . 3.860 3.036 2.855 3.163 . 0 0 "[ . 1]" 1
63 1 8 GLN HA 1 58 LEU H . . 3.820 3.180 3.116 3.272 . 0 0 "[ . 1]" 1
64 1 8 GLN HB2 1 9 THR H . . 4.170 4.039 3.965 4.084 . 0 0 "[ . 1]" 1
65 1 8 GLN HB2 1 55 THR MG . . 4.720 4.261 4.122 4.388 . 0 0 "[ . 1]" 1
66 1 8 GLN HB2 1 57 VAL HA . . 4.070 3.088 2.862 3.176 . 0 0 "[ . 1]" 1
67 1 8 GLN HB2 1 57 VAL MG2 . . 4.200 2.749 2.584 2.873 . 0 0 "[ . 1]" 1
68 1 8 GLN HB3 1 55 THR MG . . 4.370 4.605 4.446 4.720 0.350 9 0 "[ . 1]" 1
69 1 8 GLN HB3 1 57 VAL HA . . 4.560 4.498 4.308 4.568 0.008 3 0 "[ . 1]" 1
70 1 8 GLN HB3 1 57 VAL MG1 . . 4.710 3.923 3.816 4.052 . 0 0 "[ . 1]" 1
71 1 8 GLN HB3 1 57 VAL MG2 . . 4.180 3.852 3.705 3.981 . 0 0 "[ . 1]" 1
72 1 8 GLN HG2 1 9 THR H . . 4.410 2.294 2.144 2.437 . 0 0 "[ . 1]" 1
73 1 8 GLN HG2 1 9 THR HA . . 5.500 3.829 3.726 4.045 . 0 0 "[ . 1]" 1
74 1 8 GLN HG2 1 58 LEU H . . 5.500 5.190 4.995 5.424 . 0 0 "[ . 1]" 1
75 1 8 GLN HG3 1 9 THR H . . 4.030 3.967 3.862 4.107 0.077 7 0 "[ . 1]" 1
76 1 8 GLN HG3 1 57 VAL HA . . 5.210 3.823 3.644 4.003 . 0 0 "[ . 1]" 1
77 1 8 GLN HG3 1 57 VAL HB . . 4.850 4.700 4.581 4.928 0.078 7 0 "[ . 1]" 1
78 1 8 GLN HG3 1 57 VAL MG2 . . 3.930 1.984 1.904 2.164 . 0 0 "[ . 1]" 1
79 1 8 GLN HG3 1 58 LEU H . . 5.500 5.258 5.079 5.481 . 0 0 "[ . 1]" 1
80 1 9 THR H 1 9 THR HB . . 3.740 3.339 3.288 3.416 . 0 0 "[ . 1]" 1
81 1 9 THR H 1 9 THR MG . . 3.020 2.207 2.095 2.384 . 0 0 "[ . 1]" 1
82 1 9 THR H 1 10 ASP H . . 4.340 4.194 4.120 4.250 . 0 0 "[ . 1]" 1
83 1 9 THR H 1 55 THR MG . . 3.390 2.913 2.709 3.181 . 0 0 "[ . 1]" 1
84 1 9 THR H 1 56 PHE H . . 3.830 3.789 3.742 3.826 . 0 0 "[ . 1]" 1
85 1 9 THR H 1 56 PHE HB3 . . 3.730 3.622 3.438 3.733 0.003 3 0 "[ . 1]" 1
86 1 9 THR H 1 56 PHE HD1 . . 5.030 4.513 4.172 5.035 0.005 7 0 "[ . 1]" 1
87 1 9 THR H 1 57 VAL MG2 . . 4.000 3.343 3.206 3.494 . 0 0 "[ . 1]" 1
88 1 9 THR HA 1 10 ASP H . . 2.580 2.152 2.141 2.165 . 0 0 "[ . 1]" 1
89 1 9 THR HA 1 11 ALA H . . 4.020 3.957 3.854 4.019 . 0 0 "[ . 1]" 1
90 1 9 THR HA 1 55 THR MG . . 4.460 4.069 3.766 4.332 . 0 0 "[ . 1]" 1
91 1 9 THR HB 1 10 ASP H . . 4.270 4.208 4.185 4.242 . 0 0 "[ . 1]" 1
92 1 9 THR HB 1 11 ALA H . . 4.650 4.484 4.386 4.555 . 0 0 "[ . 1]" 1
93 1 9 THR MG 1 10 ASP H . . 4.260 4.008 3.884 4.121 . 0 0 "[ . 1]" 1
94 1 9 THR MG 1 11 ALA H . . 3.220 2.827 2.695 2.997 . 0 0 "[ . 1]" 1
95 1 9 THR MG 1 12 ASP HA . . 4.830 4.709 4.542 4.811 . 0 0 "[ . 1]" 1
96 1 9 THR MG 1 13 PHE H . . 4.970 4.973 4.968 4.977 0.007 3 0 "[ . 1]" 1
97 1 9 THR MG 1 13 PHE HA . . 5.200 5.054 4.989 5.114 . 0 0 "[ . 1]" 1
98 1 9 THR MG 1 13 PHE HB2 . . 4.130 4.051 3.938 4.111 . 0 0 "[ . 1]" 1
99 1 9 THR MG 1 50 LEU MD2 . . 4.350 3.704 3.504 3.846 . 0 0 "[ . 1]" 1
100 1 9 THR MG 1 56 PHE H . . 3.770 3.105 2.829 3.268 . 0 0 "[ . 1]" 1
101 1 9 THR MG 1 56 PHE HB3 . . 3.440 2.126 1.985 2.292 . 0 0 "[ . 1]" 1
102 1 9 THR MG 1 76 ILE MG . . 3.600 3.405 3.228 3.595 . 0 0 "[ . 1]" 1
103 1 10 ASP H 1 10 ASP HB3 . . 3.650 2.827 2.690 3.003 . 0 0 "[ . 1]" 1
104 1 10 ASP H 1 11 ALA H . . 3.160 3.039 2.810 3.165 0.005 7 0 "[ . 1]" 1
105 1 10 ASP H 1 11 ALA MB . . 3.910 3.825 3.693 3.893 . 0 0 "[ . 1]" 1
106 1 10 ASP H 1 55 THR MG . . 4.510 3.668 3.167 4.045 . 0 0 "[ . 1]" 1
107 1 10 ASP H 1 56 PHE H . . 5.500 5.372 5.169 5.503 0.003 9 0 "[ . 1]" 1
108 1 10 ASP HA 1 50 LEU MD1 . . 4.990 3.502 3.223 3.810 . 0 0 "[ . 1]" 1
109 1 10 ASP HB3 1 11 ALA H . . 4.630 4.463 4.202 4.654 0.024 2 0 "[ . 1]" 1
110 1 11 ALA H 1 11 ALA MB . . 3.000 2.837 2.726 2.896 . 0 0 "[ . 1]" 1
111 1 11 ALA H 1 12 ASP H . . 4.640 4.354 4.338 4.374 . 0 0 "[ . 1]" 1
112 1 11 ALA H 1 13 PHE HB3 . . 5.500 5.394 5.265 5.490 . 0 0 "[ . 1]" 1
113 1 11 ALA H 1 50 LEU MD1 . . 3.610 2.450 2.197 2.706 . 0 0 "[ . 1]" 1
114 1 11 ALA H 1 50 LEU MD2 . . 5.500 5.038 4.858 5.279 . 0 0 "[ . 1]" 1
115 1 11 ALA H 1 50 LEU HG . . 5.150 4.705 4.385 5.037 . 0 0 "[ . 1]" 1
116 1 11 ALA H 1 56 PHE HB2 . . 5.500 5.311 5.141 5.477 . 0 0 "[ . 1]" 1
117 1 11 ALA H 1 56 PHE HB3 . . 5.500 5.032 4.743 5.416 . 0 0 "[ . 1]" 1
118 1 11 ALA HA 1 12 ASP H . . 3.110 2.446 2.416 2.471 . 0 0 "[ . 1]" 1
119 1 11 ALA HA 1 50 LEU MD1 . . 4.670 2.906 2.666 3.097 . 0 0 "[ . 1]" 1
120 1 11 ALA MB 1 12 ASP H . . 2.770 2.402 2.251 2.527 . 0 0 "[ . 1]" 1
121 1 12 ASP H 1 12 ASP QB . . 3.010 2.622 2.543 2.682 . 0 0 "[ . 1]" 1
122 1 12 ASP H 1 50 LEU MD1 . . 4.120 3.762 3.335 4.090 . 0 0 "[ . 1]" 1
123 1 12 ASP H 1 50 LEU HG . . 4.410 4.037 3.795 4.365 . 0 0 "[ . 1]" 1
124 1 12 ASP HA 1 13 PHE H . . 2.810 2.349 2.320 2.411 . 0 0 "[ . 1]" 1
125 1 12 ASP HA 1 50 LEU H . . 4.060 2.618 2.443 2.727 . 0 0 "[ . 1]" 1
126 1 12 ASP HA 1 50 LEU MD1 . . 3.850 3.196 2.783 3.492 . 0 0 "[ . 1]" 1
127 1 12 ASP HA 1 50 LEU MD2 . . 4.630 3.689 3.423 3.989 . 0 0 "[ . 1]" 1
128 1 12 ASP HA 1 50 LEU HG . . 3.860 2.227 2.010 2.369 . 0 0 "[ . 1]" 1
129 1 12 ASP HA 1 79 MET HB3 . . 5.240 4.861 4.531 5.241 0.001 2 0 "[ . 1]" 1
130 1 12 ASP QB 1 13 PHE H . . 3.260 2.537 2.386 2.624 . 0 0 "[ . 1]" 1
131 1 12 ASP QB 1 49 CYS HA . . 3.660 2.189 1.941 2.558 . 0 0 "[ . 1]" 1
132 1 12 ASP QB 1 50 LEU H . . 4.170 2.936 2.262 3.557 . 0 0 "[ . 1]" 1
133 1 13 PHE H 1 13 PHE HB2 . . 4.160 3.882 3.851 3.922 . 0 0 "[ . 1]" 1
134 1 13 PHE H 1 13 PHE QD . . 4.550 3.187 2.910 3.298 . 0 0 "[ . 1]" 1
135 1 13 PHE H 1 13 PHE HE1 . . 5.430 5.073 4.370 5.397 . 0 0 "[ . 1]" 1
136 1 13 PHE H 1 14 LEU QD . . 5.250 5.204 5.193 5.209 . 0 0 "[ . 1]" 1
137 1 13 PHE H 1 48 VAL H . . 3.630 3.139 3.035 3.314 . 0 0 "[ . 1]" 1
138 1 13 PHE H 1 48 VAL MG1 . . 4.090 4.034 3.784 4.255 0.165 2 0 "[ . 1]" 1
139 1 13 PHE H 1 50 LEU MD1 . . 5.480 4.459 4.150 4.733 . 0 0 "[ . 1]" 1
140 1 13 PHE H 1 50 LEU HG . . 4.240 3.929 3.694 4.107 . 0 0 "[ . 1]" 1
141 1 13 PHE H 1 79 MET HB2 . . 4.390 3.660 3.295 3.977 . 0 0 "[ . 1]" 1
142 1 13 PHE H 1 79 MET HB3 . . 4.810 4.203 3.857 4.349 . 0 0 "[ . 1]" 1
143 1 13 PHE HA 1 14 LEU H . . 3.070 2.394 2.338 2.504 . 0 0 "[ . 1]" 1
144 1 13 PHE HA 1 14 LEU QD . . 5.500 4.381 4.181 4.597 . 0 0 "[ . 1]" 1
145 1 13 PHE HA 1 14 LEU HG . . 5.500 4.076 3.910 4.273 . 0 0 "[ . 1]" 1
146 1 13 PHE HA 1 76 ILE MG . . 4.850 4.342 4.048 4.659 . 0 0 "[ . 1]" 1
147 1 13 PHE HA 1 79 MET HB2 . . 4.630 2.170 1.999 2.456 . 0 0 "[ . 1]" 1
148 1 13 PHE HA 1 79 MET HB3 . . 4.380 2.928 2.479 3.197 . 0 0 "[ . 1]" 1
149 1 13 PHE HA 1 79 MET HG2 . . 5.260 4.606 4.260 5.044 . 0 0 "[ . 1]" 1
150 1 13 PHE HA 1 79 MET HG3 . . 5.500 4.490 4.109 4.984 . 0 0 "[ . 1]" 1
151 1 13 PHE HB2 1 14 LEU H . . 3.460 2.460 2.209 2.599 . 0 0 "[ . 1]" 1
152 1 13 PHE HB2 1 14 LEU HA . . 4.890 4.558 4.490 4.678 . 0 0 "[ . 1]" 1
153 1 13 PHE HB2 1 76 ILE MG . . 4.100 2.253 1.992 2.546 . 0 0 "[ . 1]" 1
154 1 13 PHE HB2 1 77 GLN H . . 5.110 3.351 3.235 3.451 . 0 0 "[ . 1]" 1
155 1 13 PHE HB2 1 78 PRO HA . . 4.610 3.942 3.649 4.394 . 0 0 "[ . 1]" 1
156 1 13 PHE HB2 1 79 MET H . . 4.610 3.884 3.747 4.062 . 0 0 "[ . 1]" 1
157 1 13 PHE HB3 1 14 LEU H . . 3.850 3.686 3.554 3.818 . 0 0 "[ . 1]" 1
158 1 13 PHE HB3 1 76 ILE MG . . 3.760 3.239 3.045 3.480 . 0 0 "[ . 1]" 1
159 1 13 PHE HB3 1 77 GLN H . . 5.330 4.976 4.853 5.006 . 0 0 "[ . 1]" 1
160 1 13 PHE HB3 1 78 PRO HA . . 4.670 3.605 3.230 4.206 . 0 0 "[ . 1]" 1
161 1 13 PHE HB3 1 79 MET H . . 4.500 3.532 3.281 3.826 . 0 0 "[ . 1]" 1
162 1 13 PHE QD 1 14 LEU H . . 3.870 3.559 3.297 3.773 . 0 0 "[ . 1]" 1
163 1 13 PHE QD 1 15 LEU H . . 5.180 4.600 4.174 4.880 . 0 0 "[ . 1]" 1
164 1 13 PHE QD 1 77 GLN H . . 4.460 3.972 3.403 4.383 . 0 0 "[ . 1]" 1
165 1 14 LEU H 1 14 LEU HB2 . . 3.320 2.342 2.280 2.397 . 0 0 "[ . 1]" 1
166 1 14 LEU H 1 14 LEU HB3 . . 3.830 3.585 3.525 3.632 . 0 0 "[ . 1]" 1
167 1 14 LEU H 1 14 LEU QD . . 4.060 3.471 3.319 3.649 . 0 0 "[ . 1]" 1
168 1 14 LEU H 1 14 LEU HG . . 3.920 3.198 3.042 3.405 . 0 0 "[ . 1]" 1
169 1 14 LEU H 1 76 ILE MG . . 4.030 3.619 3.343 3.926 . 0 0 "[ . 1]" 1
170 1 14 LEU H 1 77 GLN H . . 3.750 2.983 2.733 3.130 . 0 0 "[ . 1]" 1
171 1 14 LEU H 1 78 PRO HA . . 4.340 4.128 3.891 4.342 0.002 5 0 "[ . 1]" 1
172 1 14 LEU H 1 79 MET H . . 5.240 3.361 2.981 3.678 . 0 0 "[ . 1]" 1
173 1 14 LEU H 1 79 MET HB2 . . 4.900 3.235 2.923 3.558 . 0 0 "[ . 1]" 1
174 1 14 LEU H 1 79 MET HG2 . . 5.500 5.338 4.857 5.975 0.475 3 0 "[ . 1]" 1
175 1 14 LEU HA 1 14 LEU QD . . 3.060 2.245 2.016 2.432 . 0 0 "[ . 1]" 1
176 1 14 LEU HA 1 15 LEU H . . 2.730 2.279 2.209 2.343 . 0 0 "[ . 1]" 1
177 1 14 LEU HA 1 45 VAL MG1 . . 4.650 4.082 3.867 4.281 . 0 0 "[ . 1]" 1
178 1 14 LEU HA 1 46 TYR H . . 4.680 4.340 4.248 4.422 . 0 0 "[ . 1]" 1
179 1 14 LEU HA 1 47 MET HA . . 3.540 2.282 2.160 2.439 . 0 0 "[ . 1]" 1
180 1 14 LEU HA 1 48 VAL H . . 3.750 3.097 2.877 3.276 . 0 0 "[ . 1]" 1
181 1 14 LEU HA 1 48 VAL MG2 . . 4.460 4.059 3.668 4.407 . 0 0 "[ . 1]" 1
182 1 14 LEU HB2 1 15 LEU H . . 4.220 4.016 3.884 4.189 . 0 0 "[ . 1]" 1
183 1 14 LEU HB2 1 45 VAL MG1 . . 4.780 4.077 3.693 4.395 . 0 0 "[ . 1]" 1
184 1 14 LEU HB3 1 15 LEU H . . 3.490 2.783 2.607 2.998 . 0 0 "[ . 1]" 1
185 1 14 LEU HB3 1 45 VAL MG1 . . 4.140 2.753 2.397 3.004 . 0 0 "[ . 1]" 1
186 1 14 LEU HB3 1 77 GLN H . . 4.210 4.352 4.026 4.537 0.327 8 0 "[ . 1]" 1
187 1 14 LEU QD 1 15 LEU H . . 3.720 2.925 2.406 3.196 . 0 0 "[ . 1]" 1
188 1 14 LEU QD 1 38 LYS HA . . 5.500 5.448 5.439 5.460 . 0 0 "[ . 1]" 1
189 1 14 LEU QD 1 46 TYR HA . . 4.520 3.679 3.582 3.734 . 0 0 "[ . 1]" 1
190 1 14 LEU QD 1 47 MET H . . 4.460 3.240 3.074 3.368 . 0 0 "[ . 1]" 1
191 1 14 LEU QD 1 47 MET HA . . 3.150 2.113 1.903 2.333 . 0 0 "[ . 1]" 1
192 1 14 LEU QD 1 47 MET HB3 . . 4.370 1.919 1.885 1.986 . 0 0 "[ . 1]" 1
193 1 14 LEU QD 1 47 MET QG . . 4.320 3.620 3.410 3.740 . 0 0 "[ . 1]" 1
194 1 14 LEU QD 1 48 VAL H . . 4.540 3.875 3.516 4.101 . 0 0 "[ . 1]" 1
195 1 14 LEU QD 1 78 PRO HD2 . . 5.500 5.314 5.090 5.587 0.087 2 0 "[ . 1]" 1
196 1 14 LEU QD 1 79 MET H . . 4.730 4.364 4.171 4.686 . 0 0 "[ . 1]" 1
197 1 14 LEU QD 1 79 MET HA . . 3.860 2.386 2.014 2.915 . 0 0 "[ . 1]" 1
198 1 14 LEU QD 1 79 MET HB2 . . 3.820 3.430 3.092 3.800 . 0 0 "[ . 1]" 1
199 1 14 LEU QD 1 79 MET HG2 . . 4.950 3.277 2.486 4.200 . 0 0 "[ . 1]" 1
200 1 14 LEU QD 1 79 MET HG3 . . 5.500 3.551 2.579 4.492 . 0 0 "[ . 1]" 1
201 1 14 LEU QD 1 80 ILE H . . 4.250 3.182 2.718 3.859 . 0 0 "[ . 1]" 1
202 1 14 LEU HG 1 47 MET HA . . 5.170 3.330 3.021 3.556 . 0 0 "[ . 1]" 1
203 1 14 LEU HG 1 47 MET HB2 . . 5.420 3.933 3.583 4.449 . 0 0 "[ . 1]" 1
204 1 14 LEU HG 1 47 MET HB3 . . 4.810 3.459 3.162 4.024 . 0 0 "[ . 1]" 1
205 1 14 LEU HG 1 79 MET H . . 5.500 4.587 4.173 5.071 . 0 0 "[ . 1]" 1
206 1 14 LEU HG 1 79 MET HA . . 4.020 3.058 2.773 3.431 . 0 0 "[ . 1]" 1
207 1 14 LEU HG 1 80 ILE H . . 4.870 4.614 4.400 4.803 . 0 0 "[ . 1]" 1
208 1 15 LEU H 1 15 LEU QB . . 3.750 2.493 2.379 2.593 . 0 0 "[ . 1]" 1
209 1 15 LEU H 1 15 LEU QD . . 4.480 3.609 2.993 3.970 . 0 0 "[ . 1]" 1
210 1 15 LEU H 1 16 VAL H . . 4.410 4.383 4.301 4.422 0.012 8 0 "[ . 1]" 1
211 1 15 LEU H 1 45 VAL MG1 . . 4.060 3.389 3.153 3.688 . 0 0 "[ . 1]" 1
212 1 15 LEU H 1 46 TYR H . . 3.620 2.639 2.470 2.758 . 0 0 "[ . 1]" 1
213 1 15 LEU H 1 46 TYR HB2 . . 4.200 3.723 3.648 3.812 . 0 0 "[ . 1]" 1
214 1 15 LEU H 1 46 TYR HB3 . . 4.960 4.436 4.325 4.557 . 0 0 "[ . 1]" 1
215 1 15 LEU H 1 47 MET HA . . 4.100 3.669 3.583 3.765 . 0 0 "[ . 1]" 1
216 1 15 LEU H 1 48 VAL H . . 4.840 4.475 4.196 4.713 . 0 0 "[ . 1]" 1
217 1 15 LEU H 1 48 VAL MG2 . . 4.650 4.144 3.618 4.478 . 0 0 "[ . 1]" 1
218 1 15 LEU HA 1 15 LEU QD . . 3.190 2.608 2.063 2.877 . 0 0 "[ . 1]" 1
219 1 15 LEU HA 1 16 VAL H . . 2.640 2.190 2.155 2.249 . 0 0 "[ . 1]" 1
220 1 15 LEU HA 1 16 VAL MG2 . . 4.430 3.648 3.538 3.762 . 0 0 "[ . 1]" 1
221 1 15 LEU HA 1 76 ILE MG . . 4.750 4.156 4.011 4.554 . 0 0 "[ . 1]" 1
222 1 15 LEU QB 1 16 VAL H . . 4.520 3.393 2.934 3.717 . 0 0 "[ . 1]" 1
223 1 15 LEU QB 1 46 TYR H . . 4.650 3.551 3.069 3.835 . 0 0 "[ . 1]" 1
224 1 15 LEU QB 1 46 TYR HA . . 5.500 5.151 4.675 5.351 . 0 0 "[ . 1]" 1
225 1 15 LEU QB 1 46 TYR HB2 . . 4.170 2.914 2.367 3.269 . 0 0 "[ . 1]" 1
226 1 15 LEU QB 1 46 TYR HB3 . . 5.220 3.866 3.413 4.088 . 0 0 "[ . 1]" 1
227 1 15 LEU QD 1 16 VAL H . . 4.500 3.239 1.991 3.867 . 0 0 "[ . 1]" 1
228 1 15 LEU QD 1 27 MET H . . 5.500 5.211 4.864 5.462 . 0 0 "[ . 1]" 1
229 1 15 LEU QD 1 27 MET HG2 . . 3.870 3.195 2.743 3.692 . 0 0 "[ . 1]" 1
230 1 15 LEU QD 1 27 MET HG3 . . 3.970 3.431 2.460 4.223 0.253 6 0 "[ . 1]" 1
231 1 15 LEU QD 1 46 TYR H . . 5.500 4.710 4.386 4.956 . 0 0 "[ . 1]" 1
232 1 15 LEU QD 1 46 TYR HB2 . . 4.520 3.877 3.437 4.364 . 0 0 "[ . 1]" 1
233 1 15 LEU QD 1 46 TYR HB3 . . 4.890 4.546 4.296 4.868 . 0 0 "[ . 1]" 1
234 1 15 LEU QD 1 65 LEU MD1 . . 4.180 4.025 2.902 4.359 0.179 10 0 "[ . 1]" 1
235 1 15 LEU QD 1 65 LEU MD2 . . 3.620 2.467 2.092 2.933 . 0 0 "[ . 1]" 1
236 1 15 LEU QD 1 74 LEU QD . . 3.260 1.984 1.656 2.227 . 0 0 "[ . 1]" 1
237 1 15 LEU QD 1 74 LEU HG . . 4.560 2.214 1.848 2.741 . 0 0 "[ . 1]" 1
238 1 15 LEU QD 1 76 ILE HA . . 3.840 3.082 2.746 3.401 . 0 0 "[ . 1]" 1
239 1 15 LEU QD 1 76 ILE MD . . 4.020 2.838 2.490 3.483 . 0 0 "[ . 1]" 1
240 1 15 LEU QD 1 76 ILE HG13 . . 3.840 2.902 2.520 3.432 . 0 0 "[ . 1]" 1
241 1 15 LEU QD 1 76 ILE MG . . 3.850 3.108 2.412 3.595 . 0 0 "[ . 1]" 1
242 1 15 LEU QD 1 77 GLN H . . 4.590 4.326 3.906 4.557 . 0 0 "[ . 1]" 1
243 1 15 LEU HG 1 16 VAL H . . 4.930 3.186 2.425 4.496 . 0 0 "[ . 1]" 1
244 1 15 LEU HG 1 75 GLU H . . 5.000 4.036 3.230 5.015 0.015 10 0 "[ . 1]" 1
245 1 16 VAL H 1 16 VAL HB . . 3.140 2.689 2.621 2.730 . 0 0 "[ . 1]" 1
246 1 16 VAL H 1 16 VAL MG1 . . 3.950 3.872 3.844 3.892 . 0 0 "[ . 1]" 1
247 1 16 VAL H 1 17 GLY H . . 4.440 4.307 4.282 4.343 . 0 0 "[ . 1]" 1
248 1 16 VAL H 1 46 TYR H . . 5.500 5.195 5.070 5.291 . 0 0 "[ . 1]" 1
249 1 16 VAL H 1 74 LEU HA . . 4.290 4.052 3.933 4.208 . 0 0 "[ . 1]" 1
250 1 16 VAL H 1 74 LEU HG . . 4.300 4.277 4.140 4.310 0.010 10 0 "[ . 1]" 1
251 1 16 VAL H 1 75 GLU H . . 3.470 2.595 2.368 2.776 . 0 0 "[ . 1]" 1
252 1 16 VAL H 1 75 GLU HA . . 5.020 4.734 4.565 4.859 . 0 0 "[ . 1]" 1
253 1 16 VAL H 1 75 GLU HB2 . . 4.200 3.521 3.238 3.763 . 0 0 "[ . 1]" 1
254 1 16 VAL H 1 75 GLU HB3 . . 5.160 4.908 4.658 5.128 . 0 0 "[ . 1]" 1
255 1 16 VAL H 1 76 ILE HA . . 4.240 3.998 3.873 4.123 . 0 0 "[ . 1]" 1
256 1 16 VAL H 1 77 GLN H . . 5.480 5.123 4.882 5.253 . 0 0 "[ . 1]" 1
257 1 16 VAL H 1 77 GLN HG2 . . 5.500 5.534 4.665 5.986 0.486 5 0 "[ . 1]" 1
258 1 16 VAL HA 1 16 VAL MG1 . . 3.200 2.333 2.280 2.389 . 0 0 "[ . 1]" 1
259 1 16 VAL HA 1 17 GLY H . . 2.630 2.150 2.149 2.152 . 0 0 "[ . 1]" 1
260 1 16 VAL HA 1 45 VAL H . . 5.310 5.205 5.041 5.318 0.008 9 0 "[ . 1]" 1
261 1 16 VAL HA 1 45 VAL HA . . 3.440 2.980 2.784 3.154 . 0 0 "[ . 1]" 1
262 1 16 VAL HA 1 45 VAL MG2 . . 4.080 3.710 3.439 4.042 . 0 0 "[ . 1]" 1
263 1 16 VAL HA 1 46 TYR H . . 4.140 4.038 3.894 4.158 0.018 10 0 "[ . 1]" 1
264 1 16 VAL HB 1 17 GLY H . . 4.240 4.206 4.181 4.231 . 0 0 "[ . 1]" 1
265 1 16 VAL HB 1 75 GLU HB2 . . 3.540 2.837 2.085 3.324 . 0 0 "[ . 1]" 1
266 1 16 VAL HB 1 75 GLU HG3 . . 4.690 3.696 3.116 4.177 . 0 0 "[ . 1]" 1
267 1 16 VAL MG1 1 17 GLY H . . 3.090 2.646 2.449 2.710 . 0 0 "[ . 1]" 1
268 1 16 VAL MG1 1 44 ARG HA . . 5.120 4.636 4.381 5.008 . 0 0 "[ . 1]" 1
269 1 16 VAL MG1 1 44 ARG HB2 . . 4.830 3.429 3.055 3.914 . 0 0 "[ . 1]" 1
270 1 16 VAL MG1 1 74 LEU HA . . 5.500 4.863 4.785 5.002 . 0 0 "[ . 1]" 1
271 1 16 VAL MG1 1 75 GLU H . . 4.390 4.364 4.297 4.401 0.011 3 0 "[ . 1]" 1
272 1 16 VAL MG1 1 75 GLU HB2 . . 4.610 4.198 3.533 4.514 . 0 0 "[ . 1]" 1
273 1 16 VAL MG2 1 45 VAL HA . . 3.610 2.915 2.409 3.263 . 0 0 "[ . 1]" 1
274 1 16 VAL MG2 1 77 GLN HG2 . . 4.370 4.079 3.275 4.374 0.004 8 0 "[ . 1]" 1
275 1 16 VAL MG2 1 77 GLN HG3 . . 4.070 2.948 2.121 3.882 . 0 0 "[ . 1]" 1
276 1 17 GLY H 1 18 ASP H . . 4.090 3.956 3.705 4.101 0.011 10 0 "[ . 1]" 1
277 1 17 GLY H 1 44 ARG HA . . 4.790 4.109 3.954 4.210 . 0 0 "[ . 1]" 1
278 1 17 GLY H 1 44 ARG HB3 . . 3.980 3.618 3.209 4.687 0.707 5 1 "[ + 1]" 1
279 1 17 GLY H 1 45 VAL HA . . 4.770 4.334 4.154 4.558 . 0 0 "[ . 1]" 1
280 1 17 GLY H 1 46 TYR H . . 5.500 5.481 5.424 5.510 0.010 10 0 "[ . 1]" 1
281 1 17 GLY H 1 74 LEU HA . . 5.310 4.792 4.624 4.971 . 0 0 "[ . 1]" 1
282 1 17 GLY H 1 75 GLU H . . 5.190 5.102 5.007 5.195 0.005 9 0 "[ . 1]" 1
283 1 17 GLY HA3 1 18 ASP H . . 2.980 2.165 2.135 2.197 . 0 0 "[ . 1]" 1
284 1 17 GLY HA3 1 19 ASP H . . 4.070 3.424 3.271 3.639 . 0 0 "[ . 1]" 1
285 1 17 GLY HA3 1 74 LEU HA . . 4.130 3.269 3.029 3.620 . 0 0 "[ . 1]" 1
286 1 17 GLY HA3 1 75 GLU H . . 4.880 4.673 4.464 4.950 0.070 9 0 "[ . 1]" 1
287 1 18 ASP H 1 18 ASP HB2 . . 3.010 2.593 2.475 2.809 . 0 0 "[ . 1]" 1
288 1 18 ASP H 1 18 ASP HB3 . . 3.870 3.133 2.630 3.748 . 0 0 "[ . 1]" 1
289 1 18 ASP H 1 19 ASP H . . 3.230 2.518 2.360 2.743 . 0 0 "[ . 1]" 1
290 1 18 ASP H 1 20 THR MG . . 4.280 3.625 3.110 4.216 . 0 0 "[ . 1]" 1
291 1 18 ASP HA 1 44 ARG HD2 . . 5.500 4.026 3.025 5.421 . 0 0 "[ . 1]" 1
292 1 18 ASP HA 1 44 ARG HD3 . . 5.500 4.426 3.360 5.461 . 0 0 "[ . 1]" 1
293 1 18 ASP HB2 1 20 THR MG . . 4.320 3.580 2.831 4.224 . 0 0 "[ . 1]" 1
294 1 18 ASP HB3 1 19 ASP H . . 4.580 4.116 3.890 4.411 . 0 0 "[ . 1]" 1
295 1 18 ASP HB3 1 20 THR MG . . 4.300 3.079 2.239 4.184 . 0 0 "[ . 1]" 1
296 1 19 ASP H 1 19 ASP HB2 . . 4.140 3.378 3.022 3.938 . 0 0 "[ . 1]" 1
297 1 19 ASP H 1 19 ASP HB3 . . 3.730 3.727 2.933 4.080 0.350 4 0 "[ . 1]" 1
298 1 19 ASP H 1 20 THR MG . . 4.810 4.360 3.703 4.822 0.012 10 0 "[ . 1]" 1
299 1 19 ASP H 1 44 ARG HA . . 4.930 3.804 3.589 4.192 . 0 0 "[ . 1]" 1
300 1 19 ASP H 1 44 ARG HB3 . . 4.860 4.390 3.964 4.872 0.012 5 0 "[ . 1]" 1
301 1 19 ASP HA 1 20 THR H . . 2.740 2.541 2.383 2.765 0.025 10 0 "[ . 1]" 1
302 1 20 THR H 1 22 ARG H . . 5.230 4.974 4.725 5.074 . 0 0 "[ . 1]" 1
303 1 20 THR H 1 23 TYR QB . . 4.430 3.432 2.940 3.657 . 0 0 "[ . 1]" 1
304 1 20 THR HA 1 20 THR MG . . 3.740 2.180 2.000 2.407 . 0 0 "[ . 1]" 1
305 1 20 THR HB 1 21 SER H . . 3.350 2.970 2.760 3.077 . 0 0 "[ . 1]" 1
306 1 21 SER H 1 22 ARG H . . 3.310 2.579 2.567 2.598 . 0 0 "[ . 1]" 1
307 1 22 ARG H 1 22 ARG HB2 . . 3.150 2.400 2.242 2.654 . 0 0 "[ . 1]" 1
308 1 22 ARG H 1 22 ARG HB3 . . 3.740 3.367 2.652 3.634 . 0 0 "[ . 1]" 1
309 1 22 ARG H 1 22 ARG QD . . 5.140 3.840 2.072 4.446 . 0 0 "[ . 1]" 1
310 1 22 ARG H 1 23 TYR H . . 2.860 2.524 2.421 2.601 . 0 0 "[ . 1]" 1
311 1 22 ARG H 1 23 TYR QB . . 4.770 4.287 4.210 4.366 . 0 0 "[ . 1]" 1
312 1 22 ARG H 1 26 VAL MG2 . . 5.060 4.761 4.370 5.154 0.094 10 0 "[ . 1]" 1
313 1 22 ARG HA 1 22 ARG QD . . 4.900 3.727 2.717 4.049 . 0 0 "[ . 1]" 1
314 1 22 ARG HA 1 22 ARG HG2 . . 3.620 2.897 2.443 3.685 0.065 3 0 "[ . 1]" 1
315 1 22 ARG HA 1 22 ARG HG3 . . 4.230 2.742 2.190 3.426 . 0 0 "[ . 1]" 1
316 1 22 ARG HA 1 23 TYR H . . 3.470 3.252 3.105 3.438 . 0 0 "[ . 1]" 1
317 1 22 ARG HA 1 24 GLU H . . 4.310 3.760 3.475 4.254 . 0 0 "[ . 1]" 1
318 1 22 ARG HA 1 25 GLU H . . 3.710 3.135 3.032 3.259 . 0 0 "[ . 1]" 1
319 1 22 ARG HA 1 25 GLU HB2 . . 4.610 3.644 3.238 4.168 . 0 0 "[ . 1]" 1
320 1 22 ARG HA 1 25 GLU HB3 . . 4.230 3.027 2.538 3.290 . 0 0 "[ . 1]" 1
321 1 22 ARG HA 1 25 GLU QG . . 5.500 4.741 4.202 4.932 . 0 0 "[ . 1]" 1
322 1 22 ARG HB2 1 23 TYR H . . 4.040 3.721 3.065 4.234 0.194 3 0 "[ . 1]" 1
323 1 22 ARG HB2 1 26 VAL MG2 . . 4.350 3.514 2.967 4.110 . 0 0 "[ . 1]" 1
324 1 22 ARG HB2 1 69 THR HA . . 4.410 4.573 3.967 4.748 0.338 2 0 "[ . 1]" 1
325 1 22 ARG HB3 1 26 VAL H . . 4.720 3.921 3.355 4.575 . 0 0 "[ . 1]" 1
326 1 22 ARG HB3 1 26 VAL MG2 . . 4.030 2.633 2.385 2.901 . 0 0 "[ . 1]" 1
327 1 22 ARG HB3 1 69 THR HA . . 4.740 4.157 3.482 4.723 . 0 0 "[ . 1]" 1
328 1 22 ARG QD 1 69 THR HA . . 4.500 4.296 3.813 4.406 . 0 0 "[ . 1]" 1
329 1 23 TYR H 1 23 TYR QB . . 2.950 2.270 2.156 2.333 . 0 0 "[ . 1]" 1
330 1 23 TYR H 1 24 GLU H . . 3.310 2.729 2.686 2.786 . 0 0 "[ . 1]" 1
331 1 23 TYR H 1 25 GLU H . . 4.630 4.286 4.057 4.474 . 0 0 "[ . 1]" 1
332 1 23 TYR H 1 26 VAL MG2 . . 4.810 4.240 4.093 4.372 . 0 0 "[ . 1]" 1
333 1 23 TYR HA 1 26 VAL H . . 5.050 3.726 3.648 3.794 . 0 0 "[ . 1]" 1
334 1 23 TYR HA 1 26 VAL HB . . 4.000 2.886 2.730 3.075 . 0 0 "[ . 1]" 1
335 1 23 TYR HA 1 26 VAL MG2 . . 4.310 3.004 2.773 3.292 . 0 0 "[ . 1]" 1
336 1 23 TYR HA 1 27 MET H . . 4.210 4.081 3.916 4.205 . 0 0 "[ . 1]" 1
337 1 23 TYR QB 1 24 GLU H . . 3.810 3.212 2.563 3.480 . 0 0 "[ . 1]" 1
338 1 23 TYR QB 1 24 GLU QB . . 5.500 4.731 4.026 5.045 . 0 0 "[ . 1]" 1
339 1 24 GLU H 1 24 GLU QB . . 3.200 2.536 2.184 2.644 . 0 0 "[ . 1]" 1
340 1 24 GLU H 1 25 GLU H . . 3.060 2.603 2.546 2.677 . 0 0 "[ . 1]" 1
341 1 24 GLU H 1 26 VAL H . . 4.610 4.133 4.013 4.239 . 0 0 "[ . 1]" 1
342 1 24 GLU H 1 36 VAL QG . . 5.240 4.563 4.029 4.728 . 0 0 "[ . 1]" 1
343 1 24 GLU HA 1 24 GLU HG2 . . 3.860 3.303 2.160 3.734 . 0 0 "[ . 1]" 1
344 1 24 GLU HA 1 24 GLU HG3 . . 3.970 3.660 3.108 3.914 . 0 0 "[ . 1]" 1
345 1 24 GLU HA 1 27 MET H . . 3.960 3.686 3.599 3.754 . 0 0 "[ . 1]" 1
346 1 24 GLU HA 1 28 LYS HD3 . . 5.020 3.493 3.220 3.646 . 0 0 "[ . 1]" 1
347 1 24 GLU HA 1 36 VAL HB . . 4.610 4.298 3.903 4.562 . 0 0 "[ . 1]" 1
348 1 24 GLU HA 1 36 VAL QG . . 3.690 2.858 2.350 3.044 . 0 0 "[ . 1]" 1
349 1 25 GLU H 1 25 GLU HA . . 2.860 2.823 2.810 2.830 . 0 0 "[ . 1]" 1
350 1 25 GLU H 1 25 GLU HB2 . . 2.650 2.553 2.462 2.669 0.019 7 0 "[ . 1]" 1
351 1 25 GLU H 1 25 GLU HB3 . . 2.710 2.504 2.387 2.589 . 0 0 "[ . 1]" 1
352 1 25 GLU H 1 26 VAL H . . 3.160 2.679 2.635 2.716 . 0 0 "[ . 1]" 1
353 1 25 GLU H 1 26 VAL MG2 . . 4.550 4.178 4.092 4.291 . 0 0 "[ . 1]" 1
354 1 25 GLU H 1 28 LYS HD3 . . 5.330 4.788 4.647 5.003 . 0 0 "[ . 1]" 1
355 1 25 GLU HA 1 25 GLU QG . . 3.490 2.782 2.371 3.176 . 0 0 "[ . 1]" 1
356 1 25 GLU HA 1 28 LYS H . . 3.780 3.385 3.344 3.419 . 0 0 "[ . 1]" 1
357 1 25 GLU HA 1 28 LYS HB2 . . 4.150 2.297 2.199 2.576 . 0 0 "[ . 1]" 1
358 1 25 GLU HA 1 28 LYS HD3 . . 4.110 3.843 3.686 4.128 0.018 5 0 "[ . 1]" 1
359 1 25 GLU HB2 1 26 VAL H . . 3.580 3.830 3.756 3.957 0.377 7 0 "[ . 1]" 1
360 1 25 GLU QG 1 26 VAL H . . 5.170 3.624 3.401 4.122 . 0 0 "[ . 1]" 1
361 1 25 GLU QG 1 26 VAL HA . . 4.770 3.735 3.443 4.605 . 0 0 "[ . 1]" 1
362 1 25 GLU QG 1 26 VAL MG2 . . 5.310 3.804 3.422 4.353 . 0 0 "[ . 1]" 1
363 1 26 VAL H 1 26 VAL HB . . 2.610 2.554 2.528 2.589 . 0 0 "[ . 1]" 1
364 1 26 VAL H 1 26 VAL MG2 . . 3.250 2.160 2.085 2.273 . 0 0 "[ . 1]" 1
365 1 26 VAL H 1 27 MET H . . 3.100 2.750 2.667 2.784 . 0 0 "[ . 1]" 1
366 1 26 VAL H 1 27 MET HG2 . . 5.500 5.291 4.818 5.490 . 0 0 "[ . 1]" 1
367 1 26 VAL H 1 28 LYS H . . 4.290 4.057 4.010 4.103 . 0 0 "[ . 1]" 1
368 1 26 VAL H 1 29 THR MG . . 5.500 4.465 4.094 5.594 0.094 5 0 "[ . 1]" 1
369 1 26 VAL HA 1 26 VAL MG1 . . 3.100 2.332 2.308 2.363 . 0 0 "[ . 1]" 1
370 1 26 VAL HA 1 26 VAL MG2 . . 3.330 2.372 2.325 2.408 . 0 0 "[ . 1]" 1
371 1 26 VAL HA 1 29 THR H . . 4.600 3.806 3.641 3.887 . 0 0 "[ . 1]" 1
372 1 26 VAL HA 1 29 THR MG . . 3.690 2.498 2.114 3.597 . 0 0 "[ . 1]" 1
373 1 26 VAL HB 1 27 MET H . . 3.060 2.581 2.514 2.727 . 0 0 "[ . 1]" 1
374 1 26 VAL HB 1 27 MET HG2 . . 4.840 3.703 3.325 3.800 . 0 0 "[ . 1]" 1
375 1 26 VAL HB 1 69 THR HB . . 4.970 3.653 3.016 4.338 . 0 0 "[ . 1]" 1
376 1 26 VAL MG1 1 68 LEU HB2 . . 3.440 3.239 2.803 3.444 0.004 5 0 "[ . 1]" 1
377 1 26 VAL MG1 1 68 LEU HB3 . . 3.430 2.441 2.143 2.826 . 0 0 "[ . 1]" 1
378 1 26 VAL MG2 1 27 MET H . . 3.960 3.838 3.805 3.901 . 0 0 "[ . 1]" 1
379 1 26 VAL MG2 1 69 THR H . . 3.860 3.299 2.776 3.758 . 0 0 "[ . 1]" 1
380 1 26 VAL MG2 1 69 THR HA . . 3.270 2.392 2.004 2.894 . 0 0 "[ . 1]" 1
381 1 27 MET H 1 27 MET HB2 . . 2.990 2.203 2.165 2.346 . 0 0 "[ . 1]" 1
382 1 27 MET H 1 27 MET HB3 . . 3.640 3.498 3.472 3.573 . 0 0 "[ . 1]" 1
383 1 27 MET H 1 27 MET HG2 . . 3.200 2.937 2.538 3.046 . 0 0 "[ . 1]" 1
384 1 27 MET H 1 27 MET HG3 . . 4.280 3.934 3.776 3.997 . 0 0 "[ . 1]" 1
385 1 27 MET H 1 28 LYS H . . 3.190 2.499 2.478 2.513 . 0 0 "[ . 1]" 1
386 1 27 MET H 1 28 LYS HA . . 5.330 5.120 5.109 5.133 . 0 0 "[ . 1]" 1
387 1 27 MET HA 1 29 THR H . . 4.110 3.867 3.703 4.090 . 0 0 "[ . 1]" 1
388 1 27 MET HA 1 30 PHE H . . 4.350 3.831 3.667 4.325 . 0 0 "[ . 1]" 1
389 1 27 MET HA 1 33 VAL QG . . 4.430 2.974 2.771 3.774 . 0 0 "[ . 1]" 1
390 1 27 MET HB2 1 28 LYS HA . . 5.020 4.649 4.388 4.720 . 0 0 "[ . 1]" 1
391 1 27 MET HB2 1 33 VAL HB . . 5.500 5.245 5.085 5.506 0.006 10 0 "[ . 1]" 1
392 1 27 MET HB2 1 33 VAL QG . . 4.250 3.181 2.982 3.515 . 0 0 "[ . 1]" 1
393 1 27 MET HB3 1 30 PHE H . . 5.500 4.990 4.808 5.496 . 0 0 "[ . 1]" 1
394 1 27 MET HB3 1 33 VAL QG . . 3.870 1.951 1.760 2.206 . 0 0 "[ . 1]" 1
395 1 27 MET HG2 1 28 LYS H . . 5.020 4.745 4.491 4.806 . 0 0 "[ . 1]" 1
396 1 27 MET HG2 1 36 VAL QG . . 4.630 4.148 3.879 4.900 0.270 10 0 "[ . 1]" 1
397 1 27 MET HG2 1 65 LEU MD2 . . 5.500 4.729 4.217 5.246 . 0 0 "[ . 1]" 1
398 1 27 MET HG3 1 33 VAL QG . . 5.040 3.461 3.220 3.927 . 0 0 "[ . 1]" 1
399 1 27 MET HG3 1 36 VAL QG . . 4.300 2.991 2.699 3.848 . 0 0 "[ . 1]" 1
400 1 28 LYS H 1 28 LYS HB2 . . 2.740 2.085 2.067 2.126 . 0 0 "[ . 1]" 1
401 1 28 LYS H 1 28 LYS HB3 . . 3.480 3.370 3.323 3.428 . 0 0 "[ . 1]" 1
402 1 28 LYS H 1 28 LYS HD3 . . 3.820 3.244 3.086 3.364 . 0 0 "[ . 1]" 1
403 1 28 LYS H 1 28 LYS HG2 . . 4.730 4.189 4.159 4.217 . 0 0 "[ . 1]" 1
404 1 28 LYS H 1 28 LYS HG3 . . 5.090 4.234 4.153 4.328 . 0 0 "[ . 1]" 1
405 1 28 LYS H 1 29 THR MG . . 4.490 3.973 3.783 4.489 . 0 0 "[ . 1]" 1
406 1 28 LYS H 1 33 VAL HB . . 5.500 4.975 4.753 5.540 0.040 8 0 "[ . 1]" 1
407 1 28 LYS H 1 33 VAL QG . . 3.840 3.731 3.678 3.766 . 0 0 "[ . 1]" 1
408 1 28 LYS HA 1 28 LYS HD3 . . 3.700 3.510 3.254 3.700 0.000 5 0 "[ . 1]" 1
409 1 28 LYS HA 1 28 LYS HG3 . . 3.680 2.454 2.403 2.524 . 0 0 "[ . 1]" 1
410 1 28 LYS HA 1 33 VAL HB . . 4.470 3.149 2.474 4.311 . 0 0 "[ . 1]" 1
411 1 28 LYS HA 1 33 VAL QG . . 4.120 2.976 2.053 3.242 . 0 0 "[ . 1]" 1
412 1 28 LYS HB2 1 28 LYS HD2 . . 3.540 2.931 2.820 3.119 . 0 0 "[ . 1]" 1
413 1 28 LYS HB2 1 28 LYS HD3 . . 3.820 2.626 2.568 2.677 . 0 0 "[ . 1]" 1
414 1 28 LYS HB2 1 29 THR H . . 3.840 3.287 3.189 3.450 . 0 0 "[ . 1]" 1
415 1 28 LYS HB2 1 30 PHE H . . 5.500 5.228 5.156 5.363 . 0 0 "[ . 1]" 1
416 1 28 LYS HB3 1 28 LYS HE2 . . 4.810 4.808 4.547 5.497 0.687 4 2 "[ +.- 1]" 1
417 1 28 LYS HB3 1 29 THR H . . 4.040 3.360 3.170 3.760 . 0 0 "[ . 1]" 1
418 1 28 LYS HD2 1 29 THR H . . 5.010 4.876 4.677 5.010 . 0 0 "[ . 1]" 1
419 1 28 LYS HD2 1 30 PHE H . . 5.500 5.516 5.506 5.526 0.026 4 0 "[ . 1]" 1
420 1 28 LYS HD2 1 33 VAL QG . . 4.110 2.837 2.292 3.091 . 0 0 "[ . 1]" 1
421 1 29 THR H 1 29 THR MG . . 2.770 2.132 1.914 2.605 . 0 0 "[ . 1]" 1
422 1 29 THR H 1 30 PHE H . . 2.980 2.720 2.680 2.764 . 0 0 "[ . 1]" 1
423 1 29 THR H 1 30 PHE HB2 . . 4.930 4.653 4.537 4.786 . 0 0 "[ . 1]" 1
424 1 29 THR H 1 33 VAL QG . . 5.260 4.478 4.254 4.594 . 0 0 "[ . 1]" 1
425 1 29 THR HA 1 29 THR MG . . 3.240 2.569 2.391 3.179 . 0 0 "[ . 1]" 1
426 1 29 THR MG 1 30 PHE H . . 4.060 3.530 2.123 3.890 . 0 0 "[ . 1]" 1
427 1 30 PHE H 1 30 PHE HB2 . . 2.950 2.267 2.131 2.385 . 0 0 "[ . 1]" 1
428 1 30 PHE H 1 30 PHE HB3 . . 3.380 3.356 3.187 3.416 0.036 8 0 "[ . 1]" 1
429 1 30 PHE H 1 31 ASP H . . 4.410 4.356 4.301 4.435 0.025 10 0 "[ . 1]" 1
430 1 30 PHE H 1 33 VAL HB . . 4.360 3.976 3.600 4.191 . 0 0 "[ . 1]" 1
431 1 30 PHE H 1 33 VAL QG . . 3.690 3.337 3.207 3.564 . 0 0 "[ . 1]" 1
432 1 30 PHE HA 1 31 ASP H . . 3.060 2.142 2.138 2.156 . 0 0 "[ . 1]" 1
433 1 30 PHE HA 1 32 THR H . . 3.750 3.615 3.480 3.755 0.005 5 0 "[ . 1]" 1
434 1 30 PHE HA 1 33 VAL H . . 5.270 4.602 4.384 4.836 . 0 0 "[ . 1]" 1
435 1 30 PHE HB2 1 31 ASP H . . 4.640 4.537 4.442 4.566 . 0 0 "[ . 1]" 1
436 1 30 PHE HB2 1 32 THR H . . 4.920 4.414 4.200 4.481 . 0 0 "[ . 1]" 1
437 1 30 PHE HB2 1 33 VAL H . . 4.630 3.948 3.600 4.300 . 0 0 "[ . 1]" 1
438 1 30 PHE HB2 1 33 VAL HB . . 5.100 4.187 3.341 4.946 . 0 0 "[ . 1]" 1
439 1 30 PHE HB2 1 33 VAL QG . . 3.500 2.759 2.234 3.519 0.019 8 0 "[ . 1]" 1
440 1 30 PHE HB3 1 31 ASP H . . 4.170 3.706 3.489 3.776 . 0 0 "[ . 1]" 1
441 1 30 PHE HB3 1 32 THR H . . 3.450 2.788 2.550 2.881 . 0 0 "[ . 1]" 1
442 1 30 PHE HB3 1 33 VAL H . . 4.090 2.771 2.467 3.130 . 0 0 "[ . 1]" 1
443 1 30 PHE HB3 1 33 VAL QG . . 3.710 2.553 1.986 3.683 . 0 0 "[ . 1]" 1
444 1 31 ASP H 1 31 ASP HB2 . . 3.410 2.485 2.199 3.591 0.181 6 0 "[ . 1]" 1
445 1 31 ASP H 1 31 ASP HB3 . . 3.690 3.181 2.500 3.586 . 0 0 "[ . 1]" 1
446 1 31 ASP H 1 32 THR H . . 3.200 2.718 2.613 2.739 . 0 0 "[ . 1]" 1
447 1 31 ASP H 1 33 VAL H . . 4.590 4.355 4.239 4.478 . 0 0 "[ . 1]" 1
448 1 31 ASP HA 1 33 VAL H . . 4.000 3.872 3.734 4.007 0.007 9 0 "[ . 1]" 1
449 1 31 ASP HB2 1 32 THR H . . 4.390 3.452 2.955 3.947 . 0 0 "[ . 1]" 1
450 1 31 ASP HB3 1 32 THR H . . 4.340 3.522 2.927 4.264 . 0 0 "[ . 1]" 1
451 1 31 ASP HB3 1 33 VAL H . . 5.500 5.257 5.000 5.672 0.172 6 0 "[ . 1]" 1
452 1 32 THR H 1 33 VAL QG . . 4.320 4.000 3.897 4.232 . 0 0 "[ . 1]" 1
453 1 32 THR HA 1 32 THR MG . . 3.680 2.340 2.103 3.200 . 0 0 "[ . 1]" 1
454 1 32 THR HA 1 51 LYS HB2 . . 4.070 3.280 3.086 3.412 . 0 0 "[ . 1]" 1
455 1 32 THR HA 1 51 LYS HG3 . . 5.190 4.882 4.595 5.112 . 0 0 "[ . 1]" 1
456 1 32 THR MG 1 33 VAL H . . 4.580 3.821 2.193 4.144 . 0 0 "[ . 1]" 1
457 1 32 THR MG 1 50 LEU MD2 . . 3.790 2.587 1.927 3.775 . 0 0 "[ . 1]" 1
458 1 32 THR MG 1 56 PHE H . . 4.940 2.815 2.232 3.621 . 0 0 "[ . 1]" 1
459 1 33 VAL H 1 33 VAL HB . . 2.700 2.487 2.405 2.513 . 0 0 "[ . 1]" 1
460 1 33 VAL H 1 33 VAL QG . . 2.970 2.204 2.124 2.371 . 0 0 "[ . 1]" 1
461 1 33 VAL H 1 34 GLU H . . 4.620 4.502 4.325 4.609 . 0 0 "[ . 1]" 1
462 1 33 VAL H 1 50 LEU HA . . 5.500 4.655 4.562 4.757 . 0 0 "[ . 1]" 1
463 1 33 VAL H 1 50 LEU MD2 . . 4.310 3.529 3.337 3.623 . 0 0 "[ . 1]" 1
464 1 33 VAL H 1 51 LYS H . . 5.020 4.880 4.799 4.964 . 0 0 "[ . 1]" 1
465 1 33 VAL H 1 51 LYS HB2 . . 5.500 5.503 5.492 5.509 0.009 8 0 "[ . 1]" 1
466 1 33 VAL H 1 51 LYS HE2 . . 5.500 5.763 4.900 6.265 0.765 5 3 "[ * +- 1]" 1
467 1 33 VAL HA 1 33 VAL QG . . 3.260 2.110 2.062 2.128 . 0 0 "[ . 1]" 1
468 1 33 VAL HA 1 34 GLU H . . 2.690 2.164 2.141 2.217 . 0 0 "[ . 1]" 1
469 1 33 VAL HA 1 34 GLU HB2 . . 5.050 4.404 4.264 4.609 . 0 0 "[ . 1]" 1
470 1 33 VAL HA 1 35 ALA H . . 4.180 3.941 3.734 4.065 . 0 0 "[ . 1]" 1
471 1 33 VAL HA 1 48 VAL MG1 . . 4.700 2.993 2.890 3.119 . 0 0 "[ . 1]" 1
472 1 33 VAL HA 1 50 LEU HA . . 3.280 2.467 2.197 2.741 . 0 0 "[ . 1]" 1
473 1 33 VAL HA 1 50 LEU MD2 . . 3.680 2.217 1.964 2.486 . 0 0 "[ . 1]" 1
474 1 33 VAL HA 1 50 LEU HG . . 5.420 4.556 4.190 4.777 . 0 0 "[ . 1]" 1
475 1 33 VAL HA 1 51 LYS H . . 3.910 3.856 3.683 3.922 0.012 3 0 "[ . 1]" 1
476 1 33 VAL HB 1 34 GLU H . . 4.530 4.228 4.099 4.414 . 0 0 "[ . 1]" 1
477 1 33 VAL HB 1 35 ALA H . . 5.500 5.297 5.211 5.507 0.007 8 0 "[ . 1]" 1
478 1 33 VAL QG 1 34 GLU H . . 3.360 2.662 2.242 3.090 . 0 0 "[ . 1]" 1
479 1 33 VAL QG 1 34 GLU HA . . 4.720 3.721 3.434 4.003 . 0 0 "[ . 1]" 1
480 1 33 VAL QG 1 35 ALA H . . 2.900 2.838 2.770 2.898 . 0 0 "[ . 1]" 1
481 1 33 VAL QG 1 35 ALA HA . . 4.300 3.466 3.278 3.660 . 0 0 "[ . 1]" 1
482 1 33 VAL QG 1 36 VAL H . . 4.770 4.460 4.210 4.615 . 0 0 "[ . 1]" 1
483 1 33 VAL QG 1 36 VAL HB . . 5.350 4.626 3.348 4.946 . 0 0 "[ . 1]" 1
484 1 33 VAL QG 1 48 VAL H . . 5.500 5.439 5.320 5.512 0.012 8 0 "[ . 1]" 1
485 1 33 VAL QG 1 48 VAL MG1 . . 3.060 1.772 1.710 1.810 . 0 0 "[ . 1]" 1
486 1 33 VAL QG 1 49 CYS H . . 3.740 3.691 3.667 3.712 . 0 0 "[ . 1]" 1
487 1 33 VAL QG 1 50 LEU HA . . 4.620 3.667 3.427 3.892 . 0 0 "[ . 1]" 1
488 1 33 VAL QG 1 50 LEU MD2 . . 4.040 2.531 2.122 3.235 . 0 0 "[ . 1]" 1
489 1 34 GLU H 1 34 GLU HB3 . . 3.140 2.661 2.464 2.766 . 0 0 "[ . 1]" 1
490 1 34 GLU H 1 34 GLU HG2 . . 4.830 4.567 4.435 4.682 . 0 0 "[ . 1]" 1
491 1 34 GLU H 1 34 GLU HG3 . . 4.870 4.540 4.387 4.784 . 0 0 "[ . 1]" 1
492 1 34 GLU H 1 35 ALA H . . 2.810 2.210 1.962 2.486 . 0 0 "[ . 1]" 1
493 1 34 GLU H 1 35 ALA MB . . 4.730 4.493 4.328 4.679 . 0 0 "[ . 1]" 1
494 1 34 GLU H 1 48 VAL MG1 . . 5.210 3.587 3.369 3.847 . 0 0 "[ . 1]" 1
495 1 34 GLU H 1 49 CYS H . . 4.710 4.338 4.130 4.633 . 0 0 "[ . 1]" 1
496 1 34 GLU H 1 49 CYS QB . . 4.950 4.066 3.992 4.151 . 0 0 "[ . 1]" 1
497 1 34 GLU H 1 50 LEU HA . . 3.230 2.504 2.219 2.743 . 0 0 "[ . 1]" 1
498 1 34 GLU H 1 50 LEU MD2 . . 4.000 3.530 3.355 3.910 . 0 0 "[ . 1]" 1
499 1 34 GLU H 1 51 LYS H . . 4.160 3.605 3.024 4.099 . 0 0 "[ . 1]" 1
500 1 34 GLU H 1 51 LYS HG2 . . 5.500 5.414 4.919 5.502 0.002 8 0 "[ . 1]" 1
501 1 34 GLU H 1 51 LYS HG3 . . 4.360 4.023 3.613 4.331 . 0 0 "[ . 1]" 1
502 1 34 GLU HA 1 34 GLU HG2 . . 4.100 3.061 2.524 3.686 . 0 0 "[ . 1]" 1
503 1 34 GLU HA 1 34 GLU HG3 . . 3.650 2.574 2.311 3.354 . 0 0 "[ . 1]" 1
504 1 34 GLU HA 1 51 LYS HE2 . . 4.350 2.876 2.396 3.711 . 0 0 "[ . 1]" 1
505 1 34 GLU HA 1 51 LYS HE3 . . 4.500 4.120 2.680 4.505 0.005 1 0 "[ . 1]" 1
506 1 34 GLU HA 1 51 LYS HG2 . . 4.680 4.024 3.745 4.373 . 0 0 "[ . 1]" 1
507 1 34 GLU HA 1 51 LYS HG3 . . 4.240 2.734 2.476 2.902 . 0 0 "[ . 1]" 1
508 1 34 GLU HB2 1 35 ALA H . . 3.930 3.751 3.618 3.929 . 0 0 "[ . 1]" 1
509 1 34 GLU HB2 1 35 ALA MB . . 4.750 4.701 4.660 4.744 . 0 0 "[ . 1]" 1
510 1 34 GLU HB2 1 50 LEU HA . . 4.450 3.515 3.364 3.850 . 0 0 "[ . 1]" 1
511 1 34 GLU HB2 1 51 LYS H . . 4.040 2.955 2.708 3.448 . 0 0 "[ . 1]" 1
512 1 34 GLU HB2 1 51 LYS HA . . 3.400 2.417 2.244 2.785 . 0 0 "[ . 1]" 1
513 1 34 GLU HB2 1 51 LYS HG2 . . 3.530 2.897 2.627 3.417 . 0 0 "[ . 1]" 1
514 1 34 GLU HB2 1 51 LYS HG3 . . 3.890 2.056 1.998 2.327 . 0 0 "[ . 1]" 1
515 1 34 GLU HB3 1 35 ALA H . . 3.040 2.570 2.466 2.659 . 0 0 "[ . 1]" 1
516 1 34 GLU HB3 1 35 ALA MB . . 5.030 3.353 3.240 3.592 . 0 0 "[ . 1]" 1
517 1 34 GLU HB3 1 49 CYS H . . 5.000 4.895 4.776 4.997 . 0 0 "[ . 1]" 1
518 1 34 GLU HB3 1 51 LYS HA . . 4.320 3.615 3.278 4.081 . 0 0 "[ . 1]" 1
519 1 34 GLU HB3 1 51 LYS HG3 . . 4.850 3.706 3.605 3.964 . 0 0 "[ . 1]" 1
520 1 34 GLU HG2 1 35 ALA H . . 4.100 4.167 4.015 4.904 0.804 2 1 "[ + . 1]" 1
521 1 34 GLU HG2 1 35 ALA MB . . 4.060 3.237 2.988 4.268 0.208 2 0 "[ . 1]" 1
522 1 34 GLU HG3 1 35 ALA H . . 4.970 4.753 3.916 4.957 . 0 0 "[ . 1]" 1
523 1 34 GLU HG3 1 35 ALA MB . . 4.520 4.321 2.819 4.522 0.002 9 0 "[ . 1]" 1
524 1 35 ALA H 1 35 ALA MB . . 3.110 2.812 2.775 2.862 . 0 0 "[ . 1]" 1
525 1 35 ALA H 1 36 VAL H . . 4.450 4.354 4.275 4.375 . 0 0 "[ . 1]" 1
526 1 35 ALA H 1 48 VAL MG1 . . 5.360 3.640 3.508 3.925 . 0 0 "[ . 1]" 1
527 1 35 ALA H 1 49 CYS H . . 3.450 3.217 3.127 3.350 . 0 0 "[ . 1]" 1
528 1 35 ALA H 1 49 CYS QB . . 3.640 2.928 2.815 3.104 . 0 0 "[ . 1]" 1
529 1 35 ALA H 1 50 LEU HA . . 4.530 4.316 4.253 4.359 . 0 0 "[ . 1]" 1
530 1 35 ALA MB 1 36 VAL H . . 2.850 2.537 2.455 2.709 . 0 0 "[ . 1]" 1
531 1 35 ALA MB 1 37 ARG H . . 5.310 5.212 5.139 5.264 . 0 0 "[ . 1]" 1
532 1 35 ALA MB 1 49 CYS H . . 4.120 3.945 3.808 4.136 0.016 10 0 "[ . 1]" 1
533 1 35 ALA MB 1 49 CYS QB . . 3.970 2.829 2.641 3.145 . 0 0 "[ . 1]" 1
534 1 36 VAL H 1 36 VAL HB . . 3.470 2.841 2.741 3.260 . 0 0 "[ . 1]" 1
535 1 36 VAL H 1 36 VAL QG . . 4.150 2.687 2.097 2.854 . 0 0 "[ . 1]" 1
536 1 36 VAL H 1 37 ARG H . . 4.460 4.429 4.397 4.469 0.009 8 0 "[ . 1]" 1
537 1 36 VAL H 1 49 CYS QB . . 5.500 4.989 4.804 5.237 . 0 0 "[ . 1]" 1
538 1 36 VAL HA 1 37 ARG H . . 2.580 2.260 2.217 2.284 . 0 0 "[ . 1]" 1
539 1 36 VAL HA 1 47 MET H . . 5.170 4.980 4.855 5.009 . 0 0 "[ . 1]" 1
540 1 36 VAL HA 1 48 VAL HA . . 3.390 2.510 2.392 2.715 . 0 0 "[ . 1]" 1
541 1 36 VAL HA 1 48 VAL MG1 . . 4.920 3.866 3.664 4.054 . 0 0 "[ . 1]" 1
542 1 36 VAL HA 1 48 VAL MG2 . . 4.380 3.733 3.609 3.981 . 0 0 "[ . 1]" 1
543 1 36 VAL HA 1 49 CYS H . . 3.700 3.035 2.950 3.148 . 0 0 "[ . 1]" 1
544 1 36 VAL HB 1 37 ARG H . . 4.290 3.798 3.699 3.992 . 0 0 "[ . 1]" 1
545 1 36 VAL QG 1 37 ARG H . . 3.470 2.076 1.935 2.202 . 0 0 "[ . 1]" 1
546 1 36 VAL QG 1 46 TYR HB2 . . 4.430 3.785 3.374 4.091 . 0 0 "[ . 1]" 1
547 1 36 VAL QG 1 46 TYR HB3 . . 3.680 2.538 2.103 2.852 . 0 0 "[ . 1]" 1
548 1 36 VAL QG 1 47 MET H . . 3.930 3.524 3.098 3.719 . 0 0 "[ . 1]" 1
549 1 36 VAL QG 1 47 MET HA . . 5.160 4.527 4.049 4.730 . 0 0 "[ . 1]" 1
550 1 36 VAL QG 1 48 VAL H . . 5.170 4.131 3.831 4.354 . 0 0 "[ . 1]" 1
551 1 36 VAL QG 1 48 VAL HA . . 4.050 2.665 2.454 2.822 . 0 0 "[ . 1]" 1
552 1 36 VAL QG 1 49 CYS H . . 4.190 3.557 3.305 4.081 . 0 0 "[ . 1]" 1
553 1 37 ARG H 1 37 ARG HB2 . . 3.330 2.713 2.679 2.835 . 0 0 "[ . 1]" 1
554 1 37 ARG H 1 37 ARG HG2 . . 4.160 3.588 2.924 3.897 . 0 0 "[ . 1]" 1
555 1 37 ARG H 1 38 LYS H . . 4.400 4.285 4.268 4.313 . 0 0 "[ . 1]" 1
556 1 37 ARG H 1 46 TYR HA . . 5.000 4.618 4.419 4.794 . 0 0 "[ . 1]" 1
557 1 37 ARG H 1 46 TYR HD2 . . 4.260 3.590 3.356 3.788 . 0 0 "[ . 1]" 1
558 1 37 ARG H 1 47 MET H . . 3.490 3.154 3.112 3.246 . 0 0 "[ . 1]" 1
559 1 37 ARG H 1 47 MET HB3 . . 5.250 5.207 4.979 5.357 0.107 2 0 "[ . 1]" 1
560 1 37 ARG H 1 48 VAL HA . . 4.070 3.744 3.553 3.995 . 0 0 "[ . 1]" 1
561 1 37 ARG H 1 48 VAL MG2 . . 5.030 4.334 4.160 4.627 . 0 0 "[ . 1]" 1
562 1 37 ARG H 1 49 CYS H . . 4.930 4.670 4.538 4.789 . 0 0 "[ . 1]" 1
563 1 37 ARG HA 1 37 ARG HD2 . . 5.150 2.276 2.002 2.847 . 0 0 "[ . 1]" 1
564 1 37 ARG HA 1 37 ARG HD3 . . 5.430 2.978 2.298 3.770 . 0 0 "[ . 1]" 1
565 1 37 ARG HA 1 38 LYS H . . 3.060 2.180 2.179 2.180 . 0 0 "[ . 1]" 1
566 1 37 ARG HB2 1 47 MET H . . 4.450 4.005 3.762 4.458 0.008 10 0 "[ . 1]" 1
567 1 37 ARG HB2 1 47 MET HB2 . . 5.500 4.588 4.348 5.426 . 0 0 "[ . 1]" 1
568 1 37 ARG HB3 1 38 LYS H . . 3.700 3.170 3.118 3.240 . 0 0 "[ . 1]" 1
569 1 37 ARG HD2 1 38 LYS H . . 5.500 3.109 2.636 4.106 . 0 0 "[ . 1]" 1
570 1 37 ARG HD3 1 38 LYS H . . 5.500 4.391 3.839 5.095 . 0 0 "[ . 1]" 1
571 1 38 LYS H 1 38 LYS HB2 . . 3.680 3.611 3.564 3.632 . 0 0 "[ . 1]" 1
572 1 38 LYS H 1 38 LYS HB3 . . 2.930 2.493 2.345 2.546 . 0 0 "[ . 1]" 1
573 1 38 LYS H 1 38 LYS HE2 . . 5.120 4.978 4.927 4.999 . 0 0 "[ . 1]" 1
574 1 38 LYS H 1 38 LYS HG3 . . 4.020 2.459 2.250 2.703 . 0 0 "[ . 1]" 1
575 1 38 LYS HA 1 38 LYS HD2 . . 5.280 5.164 5.145 5.189 . 0 0 "[ . 1]" 1
576 1 38 LYS HA 1 38 LYS HG3 . . 3.800 3.589 3.579 3.613 . 0 0 "[ . 1]" 1
577 1 38 LYS HA 1 39 SER H . . 2.640 2.347 2.218 2.474 . 0 0 "[ . 1]" 1
578 1 38 LYS HA 1 45 VAL H . . 5.500 5.318 5.003 5.515 0.015 8 0 "[ . 1]" 1
579 1 38 LYS HA 1 46 TYR HA . . 3.340 2.543 2.424 2.657 . 0 0 "[ . 1]" 1
580 1 38 LYS HA 1 47 MET H . . 3.810 3.661 3.547 3.775 . 0 0 "[ . 1]" 1
581 1 38 LYS HB2 1 38 LYS HE2 . . 3.820 2.128 2.003 2.240 . 0 0 "[ . 1]" 1
582 1 38 LYS HB2 1 38 LYS HE3 . . 3.860 3.611 3.523 3.673 . 0 0 "[ . 1]" 1
583 1 38 LYS HB2 1 39 SER H . . 3.340 2.648 2.366 2.991 . 0 0 "[ . 1]" 1
584 1 38 LYS HB2 1 43 ASP HA . . 4.610 4.145 3.442 4.415 . 0 0 "[ . 1]" 1
585 1 38 LYS HB2 1 46 TYR HA . . 5.500 4.619 4.509 4.787 . 0 0 "[ . 1]" 1
586 1 38 LYS HB3 1 38 LYS HE2 . . 4.510 2.925 2.866 3.032 . 0 0 "[ . 1]" 1
587 1 38 LYS HB3 1 38 LYS HE3 . . 4.410 4.280 4.156 4.370 . 0 0 "[ . 1]" 1
588 1 38 LYS HB3 1 39 SER H . . 4.150 3.966 3.798 4.158 0.008 9 0 "[ . 1]" 1
589 1 38 LYS HD2 1 40 ASP H . . 4.390 4.225 3.957 4.389 . 0 0 "[ . 1]" 1
590 1 38 LYS HD2 1 40 ASP HA . . 5.020 3.179 3.032 3.310 . 0 0 "[ . 1]" 1
591 1 38 LYS HD2 1 43 ASP HA . . 5.500 5.331 5.003 5.397 . 0 0 "[ . 1]" 1
592 1 38 LYS HD3 1 43 ASP HA . . 4.150 4.092 3.749 4.156 0.006 2 0 "[ . 1]" 1
593 1 38 LYS HE2 1 40 ASP HA . . 5.500 5.164 4.791 5.335 . 0 0 "[ . 1]" 1
594 1 38 LYS HE2 1 43 ASP HA . . 4.560 3.966 3.363 4.275 . 0 0 "[ . 1]" 1
595 1 38 LYS HE3 1 43 ASP HA . . 4.710 4.652 4.409 4.711 0.001 7 0 "[ . 1]" 1
596 1 38 LYS HG3 1 39 SER H . . 4.240 4.075 3.819 4.299 0.059 9 0 "[ . 1]" 1
597 1 39 SER H 1 42 ASP H . . 4.880 4.768 4.620 4.886 0.006 4 0 "[ . 1]" 1
598 1 39 SER H 1 45 VAL H . . 4.840 3.894 3.670 4.016 . 0 0 "[ . 1]" 1
599 1 39 SER H 1 45 VAL HB . . 4.260 3.940 3.744 4.177 . 0 0 "[ . 1]" 1
600 1 39 SER H 1 45 VAL MG1 . . 4.770 4.303 4.023 4.643 . 0 0 "[ . 1]" 1
601 1 39 SER H 1 46 TYR H . . 5.500 5.123 4.785 5.405 . 0 0 "[ . 1]" 1
602 1 39 SER H 1 46 TYR HA . . 3.750 3.253 2.858 3.532 . 0 0 "[ . 1]" 1
603 1 39 SER H 1 46 TYR HD1 . . 5.500 4.750 4.477 4.894 . 0 0 "[ . 1]" 1
604 1 39 SER H 1 46 TYR HD2 . . 5.500 4.986 4.789 5.264 . 0 0 "[ . 1]" 1
605 1 39 SER H 1 46 TYR HE1 . . 5.500 5.046 4.869 5.238 . 0 0 "[ . 1]" 1
606 1 39 SER H 1 46 TYR HE2 . . 5.500 5.269 5.033 5.516 0.016 10 0 "[ . 1]" 1
607 1 39 SER H 1 47 MET H . . 5.410 4.711 4.331 5.084 . 0 0 "[ . 1]" 1
608 1 39 SER HA 1 41 LEU H . . 3.820 3.669 3.526 3.813 . 0 0 "[ . 1]" 1
609 1 39 SER HA 1 45 VAL HB . . 5.020 4.810 4.690 5.000 . 0 0 "[ . 1]" 1
610 1 40 ASP H 1 40 ASP HB2 . . 3.140 2.569 2.197 3.593 0.453 7 0 "[ . 1]" 1
611 1 40 ASP H 1 40 ASP HB3 . . 3.750 3.176 2.345 3.591 . 0 0 "[ . 1]" 1
612 1 40 ASP H 1 41 LEU H . . 3.040 2.668 2.567 2.744 . 0 0 "[ . 1]" 1
613 1 40 ASP H 1 42 ASP H . . 4.730 4.312 4.129 4.550 . 0 0 "[ . 1]" 1
614 1 40 ASP HB2 1 41 LEU H . . 4.120 3.311 2.723 4.058 . 0 0 "[ . 1]" 1
615 1 40 ASP HB3 1 41 LEU H . . 3.880 3.520 2.769 3.956 0.076 7 0 "[ . 1]" 1
616 1 41 LEU H 1 42 ASP H . . 2.720 2.560 2.435 2.661 . 0 0 "[ . 1]" 1
617 1 41 LEU H 1 42 ASP HB2 . . 5.230 5.069 4.878 5.465 0.235 10 0 "[ . 1]" 1
618 1 42 ASP H 1 42 ASP HB2 . . 3.470 2.713 2.539 3.137 . 0 0 "[ . 1]" 1
619 1 42 ASP H 1 42 ASP HB3 . . 3.870 3.552 2.754 3.825 . 0 0 "[ . 1]" 1
620 1 42 ASP H 1 43 ASP H . . 4.410 4.185 4.100 4.299 . 0 0 "[ . 1]" 1
621 1 42 ASP H 1 45 VAL HB . . 4.390 3.786 3.381 3.949 . 0 0 "[ . 1]" 1
622 1 42 ASP H 1 45 VAL MG2 . . 4.380 4.189 3.753 4.382 0.002 4 0 "[ . 1]" 1
623 1 42 ASP HA 1 43 ASP H . . 2.470 2.142 2.138 2.153 . 0 0 "[ . 1]" 1
624 1 42 ASP HA 1 44 ARG H . . 3.950 3.546 3.472 3.669 . 0 0 "[ . 1]" 1
625 1 42 ASP HB2 1 43 ASP H . . 4.500 4.389 4.290 4.500 . 0 0 "[ . 1]" 1
626 1 42 ASP HB2 1 45 VAL HB . . 4.450 2.812 2.207 4.111 . 0 0 "[ . 1]" 1
627 1 42 ASP HB2 1 45 VAL MG2 . . 3.990 2.287 1.945 3.072 . 0 0 "[ . 1]" 1
628 1 42 ASP HB3 1 44 ARG H . . 3.990 2.988 2.589 3.800 . 0 0 "[ . 1]" 1
629 1 42 ASP HB3 1 45 VAL H . . 4.120 3.651 3.154 3.887 . 0 0 "[ . 1]" 1
630 1 42 ASP HB3 1 45 VAL HB . . 4.290 3.146 2.231 3.821 . 0 0 "[ . 1]" 1
631 1 42 ASP HB3 1 45 VAL MG2 . . 3.830 1.989 1.945 2.095 . 0 0 "[ . 1]" 1
632 1 43 ASP H 1 43 ASP HB2 . . 2.920 2.555 2.276 2.769 . 0 0 "[ . 1]" 1
633 1 43 ASP H 1 44 ARG QG . . 4.230 3.812 3.720 3.942 . 0 0 "[ . 1]" 1
634 1 43 ASP H 1 45 VAL H . . 4.720 4.404 4.168 4.518 . 0 0 "[ . 1]" 1
635 1 43 ASP H 1 45 VAL MG2 . . 5.140 4.733 4.629 4.916 . 0 0 "[ . 1]" 1
636 1 43 ASP HA 1 45 VAL H . . 3.520 3.502 3.452 3.533 0.013 7 0 "[ . 1]" 1
637 1 43 ASP HA 1 45 VAL MG2 . . 5.280 5.250 5.160 5.298 0.018 10 0 "[ . 1]" 1
638 1 43 ASP HB2 1 44 ARG H . . 4.400 3.361 3.048 4.122 . 0 0 "[ . 1]" 1
639 1 44 ARG H 1 44 ARG HB3 . . 3.730 3.576 2.788 3.676 . 0 0 "[ . 1]" 1
640 1 44 ARG H 1 44 ARG HD2 . . 5.370 4.670 4.244 4.919 . 0 0 "[ . 1]" 1
641 1 44 ARG H 1 44 ARG HD3 . . 5.500 4.205 3.335 4.884 . 0 0 "[ . 1]" 1
642 1 44 ARG H 1 44 ARG QG . . 2.720 2.252 2.061 2.408 . 0 0 "[ . 1]" 1
643 1 44 ARG H 1 45 VAL H . . 3.070 2.795 2.531 2.898 . 0 0 "[ . 1]" 1
644 1 44 ARG H 1 45 VAL MG2 . . 3.510 3.289 3.175 3.500 . 0 0 "[ . 1]" 1
645 1 44 ARG HA 1 44 ARG HD2 . . 5.500 3.952 2.563 4.881 . 0 0 "[ . 1]" 1
646 1 44 ARG HA 1 44 ARG HD3 . . 5.500 3.624 2.130 4.836 . 0 0 "[ . 1]" 1
647 1 44 ARG HB3 1 44 ARG HD2 . . 4.130 2.677 2.337 3.700 . 0 0 "[ . 1]" 1
648 1 44 ARG HB3 1 45 VAL H . . 4.740 4.497 4.348 4.574 . 0 0 "[ . 1]" 1
649 1 45 VAL H 1 45 VAL HB . . 3.000 2.801 2.688 2.870 . 0 0 "[ . 1]" 1
650 1 45 VAL H 1 45 VAL MG2 . . 3.000 2.829 2.438 2.927 . 0 0 "[ . 1]" 1
651 1 45 VAL H 1 46 TYR H . . 4.750 4.321 4.262 4.458 . 0 0 "[ . 1]" 1
652 1 45 VAL HA 1 45 VAL MG1 . . 3.470 2.327 2.271 2.388 . 0 0 "[ . 1]" 1
653 1 45 VAL HA 1 45 VAL MG2 . . 3.150 2.419 2.382 2.465 . 0 0 "[ . 1]" 1
654 1 45 VAL HA 1 46 TYR H . . 2.750 2.179 2.165 2.227 . 0 0 "[ . 1]" 1
655 1 45 VAL HB 1 46 TYR H . . 4.680 4.053 3.933 4.128 . 0 0 "[ . 1]" 1
656 1 45 VAL MG1 1 46 TYR H . . 3.120 2.319 2.131 2.510 . 0 0 "[ . 1]" 1
657 1 45 VAL MG1 1 46 TYR HA . . 3.840 3.547 3.366 3.684 . 0 0 "[ . 1]" 1
658 1 45 VAL MG1 1 47 MET HA . . 5.500 4.489 4.293 4.699 . 0 0 "[ . 1]" 1
659 1 46 TYR H 1 46 TYR HB2 . . 3.370 2.629 2.552 2.683 . 0 0 "[ . 1]" 1
660 1 46 TYR H 1 46 TYR HB3 . . 3.820 3.719 3.667 3.767 . 0 0 "[ . 1]" 1
661 1 46 TYR H 1 46 TYR HD1 . . 3.660 3.318 3.235 3.486 . 0 0 "[ . 1]" 1
662 1 46 TYR HA 1 47 MET H . . 2.700 2.188 2.153 2.241 . 0 0 "[ . 1]" 1
663 1 46 TYR HB2 1 47 MET H . . 4.500 4.253 4.110 4.368 . 0 0 "[ . 1]" 1
664 1 46 TYR HB3 1 47 MET H . . 3.630 3.144 2.910 3.343 . 0 0 "[ . 1]" 1
665 1 46 TYR HD2 1 47 MET H . . 4.070 3.844 3.702 4.007 . 0 0 "[ . 1]" 1
666 1 47 MET H 1 47 MET HB2 . . 3.910 3.681 3.642 3.731 . 0 0 "[ . 1]" 1
667 1 47 MET H 1 47 MET HB3 . . 3.240 2.949 2.821 3.095 . 0 0 "[ . 1]" 1
668 1 47 MET H 1 47 MET QG . . 4.050 2.020 1.934 2.085 . 0 0 "[ . 1]" 1
669 1 47 MET HA 1 48 VAL H . . 2.660 2.141 2.141 2.143 . 0 0 "[ . 1]" 1
670 1 47 MET HA 1 48 VAL MG2 . . 4.610 3.680 3.509 3.780 . 0 0 "[ . 1]" 1
671 1 47 MET HB2 1 48 VAL H . . 4.370 3.476 3.414 3.487 . 0 0 "[ . 1]" 1
672 1 47 MET HB3 1 48 VAL H . . 4.550 4.278 4.257 4.294 . 0 0 "[ . 1]" 1
673 1 47 MET QG 1 48 VAL H . . 4.780 4.258 4.187 4.291 . 0 0 "[ . 1]" 1
674 1 47 MET QG 1 49 CYS H . . 5.500 4.800 4.531 5.042 . 0 0 "[ . 1]" 1
675 1 48 VAL H 1 48 VAL MG1 . . 3.980 3.802 3.791 3.823 . 0 0 "[ . 1]" 1
676 1 48 VAL H 1 49 CYS H . . 4.690 4.408 4.317 4.475 . 0 0 "[ . 1]" 1
677 1 48 VAL HA 1 48 VAL MG1 . . 3.240 2.351 2.311 2.387 . 0 0 "[ . 1]" 1
678 1 48 VAL HA 1 48 VAL MG2 . . 3.310 2.401 2.314 2.469 . 0 0 "[ . 1]" 1
679 1 48 VAL HA 1 49 CYS H . . 2.570 2.147 2.142 2.152 . 0 0 "[ . 1]" 1
680 1 48 VAL HB 1 49 CYS H . . 4.860 4.244 4.115 4.361 . 0 0 "[ . 1]" 1
681 1 48 VAL MG1 1 49 CYS H . . 3.850 2.563 2.362 2.841 . 0 0 "[ . 1]" 1
682 1 48 VAL MG1 1 50 LEU H . . 4.680 4.011 3.837 4.132 . 0 0 "[ . 1]" 1
683 1 48 VAL MG1 1 50 LEU MD1 . . 4.290 4.284 4.097 4.396 0.106 2 0 "[ . 1]" 1
684 1 48 VAL MG1 1 50 LEU MD2 . . 3.420 2.256 1.948 2.664 . 0 0 "[ . 1]" 1
685 1 48 VAL MG2 1 49 CYS H . . 4.300 4.093 4.029 4.198 . 0 0 "[ . 1]" 1
686 1 49 CYS H 1 49 CYS QB . . 3.600 2.331 2.250 2.434 . 0 0 "[ . 1]" 1
687 1 49 CYS H 1 50 LEU H . . 4.430 4.322 4.277 4.376 . 0 0 "[ . 1]" 1
688 1 49 CYS H 1 50 LEU MD2 . . 5.500 4.835 4.594 5.167 . 0 0 "[ . 1]" 1
689 1 49 CYS H 1 50 LEU HG . . 5.500 5.465 5.366 5.508 0.008 1 0 "[ . 1]" 1
690 1 49 CYS HA 1 50 LEU H . . 2.640 2.146 2.140 2.153 . 0 0 "[ . 1]" 1
691 1 50 LEU H 1 50 LEU HB3 . . 3.590 3.607 3.594 3.620 0.030 5 0 "[ . 1]" 1
692 1 50 LEU H 1 50 LEU MD1 . . 3.940 3.665 3.493 3.822 . 0 0 "[ . 1]" 1
693 1 50 LEU H 1 50 LEU MD2 . . 3.780 3.313 3.197 3.534 . 0 0 "[ . 1]" 1
694 1 50 LEU H 1 50 LEU HG . . 2.890 2.300 2.120 2.511 . 0 0 "[ . 1]" 1
695 1 50 LEU H 1 51 LYS H . . 4.710 4.604 4.569 4.618 . 0 0 "[ . 1]" 1
696 1 50 LEU HA 1 50 LEU MD1 . . 4.370 3.879 3.814 3.933 . 0 0 "[ . 1]" 1
697 1 50 LEU HA 1 50 LEU MD2 . . 3.360 2.035 1.971 2.355 . 0 0 "[ . 1]" 1
698 1 50 LEU HA 1 51 LYS H . . 2.690 2.331 2.223 2.510 . 0 0 "[ . 1]" 1
699 1 50 LEU HB2 1 51 LYS H . . 4.250 3.686 3.331 4.006 . 0 0 "[ . 1]" 1
700 1 50 LEU HB2 1 54 SER HB2 . . 4.880 4.586 3.980 5.007 0.127 10 0 "[ . 1]" 1
701 1 50 LEU MD1 1 51 LYS H . . 4.740 4.574 4.316 4.699 . 0 0 "[ . 1]" 1
702 1 50 LEU MD1 1 56 PHE HA . . 4.380 3.955 3.680 4.223 . 0 0 "[ . 1]" 1
703 1 50 LEU MD1 1 56 PHE HB2 . . 3.500 2.139 1.920 2.498 . 0 0 "[ . 1]" 1
704 1 50 LEU MD2 1 51 LYS H . . 3.610 3.440 3.340 3.546 . 0 0 "[ . 1]" 1
705 1 50 LEU MD2 1 56 PHE H . . 3.750 3.634 3.463 3.761 0.011 1 0 "[ . 1]" 1
706 1 50 LEU MD2 1 56 PHE HA . . 4.420 3.992 3.724 4.152 . 0 0 "[ . 1]" 1
707 1 50 LEU MD2 1 56 PHE HB2 . . 3.610 1.984 1.927 2.119 . 0 0 "[ . 1]" 1
708 1 51 LYS H 1 51 LYS HB2 . . 3.030 2.151 2.095 2.205 . 0 0 "[ . 1]" 1
709 1 51 LYS H 1 51 LYS HG2 . . 4.200 4.061 3.919 4.191 . 0 0 "[ . 1]" 1
710 1 51 LYS H 1 51 LYS HG3 . . 3.520 3.101 2.965 3.228 . 0 0 "[ . 1]" 1
711 1 51 LYS H 1 54 SER HB2 . . 3.710 3.089 2.918 3.223 . 0 0 "[ . 1]" 1
712 1 51 LYS H 1 54 SER HB3 . . 4.450 4.389 4.054 4.451 0.001 2 0 "[ . 1]" 1
713 1 51 LYS HA 1 51 LYS HD2 . . 5.010 4.394 4.288 4.458 . 0 0 "[ . 1]" 1
714 1 51 LYS HA 1 51 LYS HD3 . . 4.880 4.395 4.261 4.593 . 0 0 "[ . 1]" 1
715 1 51 LYS HA 1 51 LYS HG2 . . 3.690 2.373 2.276 2.656 . 0 0 "[ . 1]" 1
716 1 51 LYS HA 1 51 LYS HG3 . . 4.050 2.760 2.488 2.898 . 0 0 "[ . 1]" 1
717 1 51 LYS HA 1 52 GLN H . . 2.700 2.329 2.170 2.592 . 0 0 "[ . 1]" 1
718 1 51 LYS HB2 1 54 SER H . . 4.770 4.315 3.917 4.672 . 0 0 "[ . 1]" 1
719 1 51 LYS HB2 1 54 SER HB2 . . 4.470 2.886 2.688 3.029 . 0 0 "[ . 1]" 1
720 1 51 LYS HB3 1 52 GLN H . . 3.340 2.832 2.107 3.289 . 0 0 "[ . 1]" 1
721 1 51 LYS HB3 1 54 SER H . . 4.270 4.017 3.099 4.273 0.003 8 0 "[ . 1]" 1
722 1 51 LYS HB3 1 54 SER HB2 . . 5.210 3.694 3.222 3.904 . 0 0 "[ . 1]" 1
723 1 51 LYS HE2 1 51 LYS HG2 . . 4.170 3.125 2.777 3.699 . 0 0 "[ . 1]" 1
724 1 51 LYS HE2 1 51 LYS HG3 . . 3.820 2.173 2.067 2.497 . 0 0 "[ . 1]" 1
725 1 51 LYS HE3 1 51 LYS HG2 . . 4.070 3.923 3.737 4.135 0.065 1 0 "[ . 1]" 1
726 1 51 LYS HE3 1 51 LYS HG3 . . 4.030 3.143 2.761 3.533 . 0 0 "[ . 1]" 1
727 1 51 LYS HG3 1 52 GLN H . . 4.930 4.507 4.252 4.830 . 0 0 "[ . 1]" 1
728 1 52 GLN H 1 53 GLY H . . 4.580 4.391 4.310 4.472 . 0 0 "[ . 1]" 1
729 1 52 GLN HA 1 53 GLY H . . 2.440 2.152 2.143 2.175 . 0 0 "[ . 1]" 1
730 1 52 GLN HA 1 54 SER H . . 3.990 3.615 3.526 3.971 . 0 0 "[ . 1]" 1
731 1 53 GLY H 1 54 SER H . . 2.940 2.345 2.117 2.763 . 0 0 "[ . 1]" 1
732 1 53 GLY H 1 54 SER HA . . 5.140 4.921 4.780 5.083 . 0 0 "[ . 1]" 1
733 1 54 SER H 1 54 SER HB2 . . 3.020 2.566 2.505 2.600 . 0 0 "[ . 1]" 1
734 1 54 SER H 1 54 SER HB3 . . 3.720 3.696 3.594 3.740 0.020 8 0 "[ . 1]" 1
735 1 54 SER H 1 55 THR H . . 4.860 4.540 4.502 4.624 . 0 0 "[ . 1]" 1
736 1 54 SER HA 1 55 THR H . . 2.690 2.420 2.381 2.465 . 0 0 "[ . 1]" 1
737 1 54 SER HB2 1 55 THR H . . 3.600 3.535 3.462 3.598 . 0 0 "[ . 1]" 1
738 1 54 SER HB2 1 55 THR HA . . 4.540 4.542 4.522 4.549 0.009 8 0 "[ . 1]" 1
739 1 54 SER HB3 1 55 THR H . . 2.730 2.412 2.315 2.503 . 0 0 "[ . 1]" 1
740 1 54 SER HB3 1 55 THR HA . . 4.450 4.442 4.406 4.454 0.004 2 0 "[ . 1]" 1
741 1 55 THR H 1 56 PHE H . . 4.460 4.113 4.033 4.247 . 0 0 "[ . 1]" 1
742 1 55 THR H 1 57 VAL MG2 . . 4.830 4.858 4.839 4.866 0.036 6 0 "[ . 1]" 1
743 1 55 THR HA 1 55 THR MG . . 3.210 2.366 2.342 2.403 . 0 0 "[ . 1]" 1
744 1 55 THR HA 1 56 PHE H . . 2.540 2.146 2.141 2.168 . 0 0 "[ . 1]" 1
745 1 55 THR HB 1 56 PHE H . . 4.390 4.271 4.054 4.357 . 0 0 "[ . 1]" 1
746 1 55 THR HB 1 57 VAL MG2 . . 4.080 3.092 2.941 3.182 . 0 0 "[ . 1]" 1
747 1 55 THR MG 1 56 PHE HA . . 4.250 4.071 3.956 4.138 . 0 0 "[ . 1]" 1
748 1 55 THR MG 1 56 PHE HB3 . . 4.390 4.348 4.104 4.400 0.010 4 0 "[ . 1]" 1
749 1 55 THR MG 1 57 VAL HA . . 4.970 3.913 3.754 4.018 . 0 0 "[ . 1]" 1
750 1 56 PHE H 1 56 PHE HB2 . . 2.920 2.450 2.323 2.543 . 0 0 "[ . 1]" 1
751 1 56 PHE H 1 56 PHE HB3 . . 3.250 2.707 2.668 2.832 . 0 0 "[ . 1]" 1
752 1 56 PHE H 1 56 PHE HD1 . . 4.930 4.762 4.728 4.800 . 0 0 "[ . 1]" 1
753 1 56 PHE H 1 57 VAL H . . 4.660 4.229 4.168 4.319 . 0 0 "[ . 1]" 1
754 1 56 PHE HA 1 57 VAL H . . 2.480 2.194 2.164 2.216 . 0 0 "[ . 1]" 1
755 1 56 PHE HA 1 57 VAL MG2 . . 4.900 4.063 4.000 4.106 . 0 0 "[ . 1]" 1
756 1 56 PHE HB2 1 57 VAL H . . 4.950 4.576 4.558 4.592 . 0 0 "[ . 1]" 1
757 1 56 PHE HB3 1 57 VAL H . . 5.230 4.330 4.219 4.367 . 0 0 "[ . 1]" 1
758 1 56 PHE HD1 1 57 VAL H . . 3.930 3.550 2.980 3.728 . 0 0 "[ . 1]" 1
759 1 56 PHE HD1 1 58 LEU H . . 4.440 4.345 4.232 4.380 . 0 0 "[ . 1]" 1
760 1 56 PHE HE1 1 57 VAL H . . 5.370 5.190 4.765 5.366 . 0 0 "[ . 1]" 1
761 1 56 PHE HE1 1 58 LEU H . . 5.500 5.288 5.209 5.513 0.013 3 0 "[ . 1]" 1
762 1 57 VAL H 1 57 VAL HB . . 3.000 2.529 2.521 2.539 . 0 0 "[ . 1]" 1
763 1 57 VAL H 1 57 VAL MG1 . . 3.420 3.801 3.796 3.807 0.387 8 0 "[ . 1]" 1
764 1 57 VAL H 1 57 VAL MG2 . . 3.220 2.771 2.748 2.790 . 0 0 "[ . 1]" 1
765 1 57 VAL H 1 58 LEU H . . 4.560 4.509 4.456 4.518 . 0 0 "[ . 1]" 1
766 1 57 VAL HA 1 57 VAL MG1 . . 3.580 2.414 2.408 2.420 . 0 0 "[ . 1]" 1
767 1 57 VAL HA 1 57 VAL MG2 . . 3.190 2.263 2.251 2.282 . 0 0 "[ . 1]" 1
768 1 57 VAL HA 1 58 LEU H . . 2.650 2.216 2.164 2.227 . 0 0 "[ . 1]" 1
769 1 57 VAL HB 1 58 LEU H . . 4.180 4.005 3.965 4.156 . 0 0 "[ . 1]" 1
770 1 57 VAL MG1 1 58 LEU H . . 4.520 2.304 2.255 2.548 . 0 0 "[ . 1]" 1
771 1 57 VAL MG1 1 59 ASN H . . 4.540 3.428 3.397 3.491 . 0 0 "[ . 1]" 1
772 1 57 VAL MG1 1 59 ASN HA . . 4.970 3.548 3.501 3.592 . 0 0 "[ . 1]" 1
773 1 57 VAL MG2 1 58 LEU H . . 4.380 3.877 3.855 3.949 . 0 0 "[ . 1]" 1
774 1 58 LEU H 1 58 LEU HB2 . . 3.280 2.444 2.254 2.563 . 0 0 "[ . 1]" 1
775 1 58 LEU H 1 59 ASN H . . 5.060 4.106 4.064 4.180 . 0 0 "[ . 1]" 1
776 1 58 LEU H 1 61 GLY H . . 5.030 4.811 4.498 5.028 . 0 0 "[ . 1]" 1
777 1 58 LEU HA 1 58 LEU QD . . 3.350 2.362 1.979 3.045 . 0 0 "[ . 1]" 1
778 1 58 LEU HA 1 58 LEU HG . . 4.160 2.783 2.402 3.632 . 0 0 "[ . 1]" 1
779 1 58 LEU HA 1 59 ASN H . . 3.080 2.169 2.166 2.171 . 0 0 "[ . 1]" 1
780 1 58 LEU HA 1 60 GLY H . . 4.300 3.530 3.420 3.758 . 0 0 "[ . 1]" 1
781 1 58 LEU HA 1 61 GLY H . . 4.590 3.736 3.601 4.159 . 0 0 "[ . 1]" 1
782 1 58 LEU HB2 1 59 ASN H . . 4.920 4.500 4.435 4.597 . 0 0 "[ . 1]" 1
783 1 58 LEU HB2 1 60 GLY H . . 5.220 4.668 4.256 4.992 . 0 0 "[ . 1]" 1
784 1 58 LEU HB2 1 61 GLY H . . 3.550 3.273 2.748 3.664 0.114 3 0 "[ . 1]" 1
785 1 58 LEU HB2 1 61 GLY HA2 . . 4.610 2.778 2.172 3.146 . 0 0 "[ . 1]" 1
786 1 58 LEU HB2 1 61 GLY HA3 . . 5.500 4.498 3.892 4.881 . 0 0 "[ . 1]" 1
787 1 58 LEU HB2 1 62 ILE H . . 5.450 5.116 4.757 5.309 . 0 0 "[ . 1]" 1
788 1 58 LEU HB3 1 59 ASN H . . 5.010 3.789 3.756 3.880 . 0 0 "[ . 1]" 1
789 1 58 LEU HB3 1 60 GLY H . . 4.340 3.264 3.018 3.531 . 0 0 "[ . 1]" 1
790 1 58 LEU HB3 1 61 GLY H . . 3.580 2.002 1.906 2.411 . 0 0 "[ . 1]" 1
791 1 58 LEU QD 1 59 ASN H . . 4.770 3.799 3.038 4.457 . 0 0 "[ . 1]" 1
792 1 58 LEU QD 1 60 GLY H . . 4.620 3.728 2.596 4.311 . 0 0 "[ . 1]" 1
793 1 58 LEU QD 1 61 GLY H . . 4.310 3.194 2.265 3.617 . 0 0 "[ . 1]" 1
794 1 58 LEU QD 1 62 ILE HA . . 3.870 2.718 2.209 3.499 . 0 0 "[ . 1]" 1
795 1 58 LEU QD 1 62 ILE MD . . 3.040 2.179 1.926 3.052 0.012 3 0 "[ . 1]" 1
796 1 58 LEU QD 1 64 GLU H . . 4.900 4.452 4.059 4.690 . 0 0 "[ . 1]" 1
797 1 58 LEU QD 1 65 LEU HB2 . . 3.780 2.462 2.125 2.648 . 0 0 "[ . 1]" 1
798 1 58 LEU QD 1 76 ILE MD . . 3.340 2.214 1.935 2.715 . 0 0 "[ . 1]" 1
799 1 58 LEU HG 1 59 ASN H . . 5.370 4.840 4.242 5.396 0.026 3 0 "[ . 1]" 1
800 1 59 ASN H 1 59 ASN HB2 . . 3.380 2.325 2.204 2.599 . 0 0 "[ . 1]" 1
801 1 59 ASN H 1 59 ASN HB3 . . 3.880 3.399 2.738 3.595 . 0 0 "[ . 1]" 1
802 1 59 ASN H 1 60 GLY H . . 3.750 2.621 2.525 2.713 . 0 0 "[ . 1]" 1
803 1 59 ASN H 1 61 GLY H . . 5.050 3.849 3.752 4.126 . 0 0 "[ . 1]" 1
804 1 59 ASN HA 1 60 GLY HA2 . . 5.500 4.575 4.534 4.629 . 0 0 "[ . 1]" 1
805 1 59 ASN HA 1 61 GLY H . . 4.610 4.256 4.011 4.506 . 0 0 "[ . 1]" 1
806 1 59 ASN HB2 1 60 GLY H . . 3.660 3.134 2.588 3.868 0.208 3 0 "[ . 1]" 1
807 1 59 ASN HB3 1 60 GLY H . . 4.000 3.540 2.888 3.951 . 0 0 "[ . 1]" 1
808 1 60 GLY H 1 61 GLY H . . 3.080 2.186 2.056 2.470 . 0 0 "[ . 1]" 1
809 1 60 GLY H 1 64 GLU H . . 5.380 5.287 4.844 5.425 0.045 3 0 "[ . 1]" 1
810 1 60 GLY H 1 64 GLU QG . . 4.720 2.703 2.036 3.261 . 0 0 "[ . 1]" 1
811 1 60 GLY HA2 1 64 GLU QG . . 5.500 3.806 3.523 4.154 . 0 0 "[ . 1]" 1
812 1 60 GLY HA3 1 64 GLU H . . 4.170 3.866 3.598 4.068 . 0 0 "[ . 1]" 1
813 1 60 GLY HA3 1 64 GLU QG . . 4.600 2.362 1.984 2.695 . 0 0 "[ . 1]" 1
814 1 61 GLY H 1 61 GLY HA2 . . 2.830 2.346 2.300 2.393 . 0 0 "[ . 1]" 1
815 1 61 GLY H 1 62 ILE H . . 4.800 4.596 4.562 4.635 . 0 0 "[ . 1]" 1
816 1 61 GLY H 1 64 GLU QG . . 4.750 2.991 2.615 3.337 . 0 0 "[ . 1]" 1
817 1 61 GLY HA2 1 62 ILE H . . 2.970 2.855 2.802 2.937 . 0 0 "[ . 1]" 1
818 1 61 GLY HA3 1 62 ILE H . . 2.780 2.310 2.254 2.348 . 0 0 "[ . 1]" 1
819 1 61 GLY HA3 1 62 ILE HG12 . . 5.130 4.108 3.990 4.329 . 0 0 "[ . 1]" 1
820 1 61 GLY HA3 1 63 GLU H . . 3.800 3.262 3.223 3.301 . 0 0 "[ . 1]" 1
821 1 61 GLY HA3 1 64 GLU H . . 4.590 4.237 4.166 4.309 . 0 0 "[ . 1]" 1
822 1 62 ILE H 1 62 ILE HB . . 2.750 2.596 2.496 2.634 . 0 0 "[ . 1]" 1
823 1 62 ILE H 1 62 ILE MD . . 4.020 3.168 3.007 3.353 . 0 0 "[ . 1]" 1
824 1 62 ILE H 1 62 ILE HG12 . . 3.510 2.110 2.036 2.306 . 0 0 "[ . 1]" 1
825 1 62 ILE H 1 63 GLU H . . 3.200 2.412 2.407 2.417 . 0 0 "[ . 1]" 1
826 1 62 ILE H 1 63 GLU HB2 . . 5.160 4.762 4.534 4.911 . 0 0 "[ . 1]" 1
827 1 62 ILE H 1 63 GLU HG2 . . 5.500 5.183 4.695 5.497 . 0 0 "[ . 1]" 1
828 1 62 ILE H 1 63 GLU HG3 . . 5.500 3.869 3.576 4.205 . 0 0 "[ . 1]" 1
829 1 62 ILE H 1 64 GLU H . . 4.510 4.418 4.403 4.452 . 0 0 "[ . 1]" 1
830 1 62 ILE H 1 76 ILE MD . . 5.280 5.216 4.944 5.297 0.017 6 0 "[ . 1]" 1
831 1 62 ILE HA 1 62 ILE MD . . 3.580 2.059 1.972 2.213 . 0 0 "[ . 1]" 1
832 1 62 ILE HA 1 62 ILE HG12 . . 3.800 3.152 3.072 3.217 . 0 0 "[ . 1]" 1
833 1 62 ILE HA 1 64 GLU H . . 4.400 4.300 4.213 4.325 . 0 0 "[ . 1]" 1
834 1 62 ILE HA 1 65 LEU H . . 3.500 3.232 3.197 3.308 . 0 0 "[ . 1]" 1
835 1 62 ILE HA 1 65 LEU HB2 . . 4.740 2.797 2.613 2.991 . 0 0 "[ . 1]" 1
836 1 62 ILE HA 1 65 LEU HB3 . . 3.740 3.005 2.724 3.515 . 0 0 "[ . 1]" 1
837 1 62 ILE HA 1 65 LEU MD2 . . 4.660 3.410 3.060 4.463 . 0 0 "[ . 1]" 1
838 1 62 ILE HA 1 66 ARG H . . 4.410 4.175 3.869 4.483 0.073 6 0 "[ . 1]" 1
839 1 62 ILE HA 1 74 LEU QD . . 4.750 3.760 3.397 4.118 . 0 0 "[ . 1]" 1
840 1 62 ILE HA 1 76 ILE MD . . 4.260 3.489 3.361 3.650 . 0 0 "[ . 1]" 1
841 1 62 ILE HB 1 62 ILE MD . . 3.720 3.224 3.216 3.231 . 0 0 "[ . 1]" 1
842 1 62 ILE HB 1 63 GLU H . . 3.620 3.040 3.030 3.068 . 0 0 "[ . 1]" 1
843 1 62 ILE HB 1 63 GLU HG3 . . 4.330 3.973 3.619 4.236 . 0 0 "[ . 1]" 1
844 1 62 ILE HB 1 76 ILE MD . . 5.270 5.208 5.137 5.253 . 0 0 "[ . 1]" 1
845 1 62 ILE MD 1 65 LEU HB3 . . 4.210 3.818 3.595 3.983 . 0 0 "[ . 1]" 1
846 1 62 ILE MD 1 66 ARG H . . 5.480 5.401 5.226 5.510 0.030 6 0 "[ . 1]" 1
847 1 62 ILE MD 1 74 LEU QD . . 3.570 3.337 3.003 3.517 . 0 0 "[ . 1]" 1
848 1 62 ILE MD 1 75 GLU HA . . 3.830 3.722 3.448 3.832 0.002 10 0 "[ . 1]" 1
849 1 62 ILE MD 1 76 ILE H . . 3.360 2.952 2.698 3.244 . 0 0 "[ . 1]" 1
850 1 62 ILE MD 1 76 ILE HB . . 4.350 2.100 1.922 2.334 . 0 0 "[ . 1]" 1
851 1 62 ILE MD 1 76 ILE MD . . 3.470 1.905 1.853 2.001 . 0 0 "[ . 1]" 1
852 1 62 ILE MD 1 76 ILE HG13 . . 3.560 2.117 1.965 2.293 . 0 0 "[ . 1]" 1
853 1 62 ILE MD 1 76 ILE MG . . 4.330 3.259 3.114 3.386 . 0 0 "[ . 1]" 1
854 1 62 ILE HG12 1 63 GLU H . . 4.370 4.192 4.127 4.365 . 0 0 "[ . 1]" 1
855 1 62 ILE MG 1 63 GLU HA . . 4.470 3.874 3.646 4.033 . 0 0 "[ . 1]" 1
856 1 62 ILE MG 1 63 GLU HG3 . . 4.640 4.901 4.488 5.176 0.536 7 2 "[ . + -1]" 1
857 1 62 ILE MG 1 66 ARG QD . . 4.700 2.444 2.018 3.042 . 0 0 "[ . 1]" 1
858 1 62 ILE MG 1 76 ILE H . . 4.010 3.038 2.537 3.496 . 0 0 "[ . 1]" 1
859 1 63 GLU H 1 63 GLU HB2 . . 2.730 2.573 2.371 2.705 . 0 0 "[ . 1]" 1
860 1 63 GLU H 1 63 GLU HG2 . . 3.580 3.277 2.853 3.631 0.051 1 0 "[ . 1]" 1
861 1 63 GLU H 1 63 GLU HG3 . . 3.700 2.212 1.977 2.542 . 0 0 "[ . 1]" 1
862 1 63 GLU H 1 64 GLU H . . 3.040 2.731 2.725 2.743 . 0 0 "[ . 1]" 1
863 1 63 GLU H 1 66 ARG QD . . 4.950 4.020 3.817 4.899 . 0 0 "[ . 1]" 1
864 1 63 GLU HA 1 63 GLU HG3 . . 3.830 3.084 2.569 3.409 . 0 0 "[ . 1]" 1
865 1 63 GLU HA 1 65 LEU H . . 4.700 4.287 4.163 4.379 . 0 0 "[ . 1]" 1
866 1 63 GLU HA 1 66 ARG H . . 3.930 3.553 3.393 3.703 . 0 0 "[ . 1]" 1
867 1 63 GLU HA 1 66 ARG QD . . 3.930 2.213 1.926 3.018 . 0 0 "[ . 1]" 1
868 1 63 GLU HA 1 66 ARG HG3 . . 4.300 3.953 2.733 4.390 0.090 5 0 "[ . 1]" 1
869 1 64 GLU H 1 64 GLU QG . . 2.970 2.327 1.998 2.499 . 0 0 "[ . 1]" 1
870 1 64 GLU H 1 66 ARG H . . 4.490 4.153 4.088 4.288 . 0 0 "[ . 1]" 1
871 1 64 GLU HA 1 66 ARG H . . 4.680 4.327 4.198 4.514 . 0 0 "[ . 1]" 1
872 1 64 GLU HA 1 67 LEU HB2 . . 3.760 3.064 2.815 3.408 . 0 0 "[ . 1]" 1
873 1 64 GLU HA 1 67 LEU MD1 . . 3.960 2.622 2.014 3.185 . 0 0 "[ . 1]" 1
874 1 64 GLU QG 1 65 LEU H . . 3.220 2.012 1.957 2.072 . 0 0 "[ . 1]" 1
875 1 65 LEU H 1 65 LEU HB2 . . 2.940 2.242 2.148 2.341 . 0 0 "[ . 1]" 1
876 1 65 LEU H 1 65 LEU HB3 . . 3.050 2.831 2.710 2.982 . 0 0 "[ . 1]" 1
877 1 65 LEU H 1 65 LEU MD1 . . 4.090 3.715 3.413 4.103 0.013 5 0 "[ . 1]" 1
878 1 65 LEU H 1 65 LEU MD2 . . 4.260 4.213 4.183 4.242 . 0 0 "[ . 1]" 1
879 1 65 LEU H 1 66 ARG H . . 3.020 2.566 2.525 2.613 . 0 0 "[ . 1]" 1
880 1 65 LEU H 1 74 LEU QD . . 4.760 4.273 4.065 4.503 . 0 0 "[ . 1]" 1
881 1 65 LEU HA 1 65 LEU MD1 . . 3.650 2.200 1.963 3.752 0.102 5 0 "[ . 1]" 1
882 1 65 LEU HA 1 68 LEU H . . 3.630 3.424 3.326 3.490 . 0 0 "[ . 1]" 1
883 1 65 LEU HA 1 68 LEU HB2 . . 3.730 2.646 2.216 2.920 . 0 0 "[ . 1]" 1
884 1 65 LEU HA 1 68 LEU HB3 . . 4.650 4.197 3.659 4.535 . 0 0 "[ . 1]" 1
885 1 65 LEU HA 1 68 LEU MD1 . . 3.550 2.444 2.280 2.818 . 0 0 "[ . 1]" 1
886 1 65 LEU HA 1 69 THR H . . 4.950 4.552 4.222 4.860 . 0 0 "[ . 1]" 1
887 1 65 LEU HB2 1 74 LEU QD . . 4.230 3.411 3.198 3.740 . 0 0 "[ . 1]" 1
888 1 65 LEU HB3 1 65 LEU MD1 . . 3.620 3.113 2.447 3.195 . 0 0 "[ . 1]" 1
889 1 65 LEU HB3 1 74 LEU QD . . 3.530 2.111 1.894 2.447 . 0 0 "[ . 1]" 1
890 1 65 LEU HB3 1 76 ILE MD . . 4.070 3.950 3.664 4.157 0.087 10 0 "[ . 1]" 1
891 1 65 LEU MD1 1 66 ARG H . . 4.710 4.690 4.629 4.718 0.008 8 0 "[ . 1]" 1
892 1 65 LEU MD1 1 69 THR H . . 5.090 4.954 4.554 5.886 0.796 5 1 "[ + 1]" 1
893 1 65 LEU MD1 1 74 LEU QD . . 3.950 3.270 2.349 3.511 . 0 0 "[ . 1]" 1
894 1 65 LEU MD1 1 76 ILE MD . . 3.950 3.514 2.117 3.981 0.031 7 0 "[ . 1]" 1
895 1 65 LEU MD2 1 66 ARG H . . 4.700 4.462 3.487 4.684 . 0 0 "[ . 1]" 1
896 1 65 LEU MD2 1 74 LEU QD . . 3.900 1.926 1.656 2.226 . 0 0 "[ . 1]" 1
897 1 65 LEU MD2 1 76 ILE MD . . 3.980 2.113 1.800 3.807 . 0 0 "[ . 1]" 1
898 1 65 LEU HG 1 69 THR H . . 5.210 4.720 4.383 5.213 0.003 5 0 "[ . 1]" 1
899 1 66 ARG H 1 66 ARG HB2 . . 3.610 2.370 2.259 2.520 . 0 0 "[ . 1]" 1
900 1 66 ARG H 1 66 ARG QD . . 4.850 3.297 3.036 4.145 . 0 0 "[ . 1]" 1
901 1 66 ARG H 1 66 ARG HG3 . . 2.870 2.520 2.194 2.824 . 0 0 "[ . 1]" 1
902 1 66 ARG H 1 67 LEU H . . 3.230 2.680 2.606 2.818 . 0 0 "[ . 1]" 1
903 1 66 ARG H 1 69 THR H . . 5.500 5.493 5.443 5.509 0.009 3 0 "[ . 1]" 1
904 1 66 ARG H 1 72 SER HA . . 5.500 5.352 5.243 5.504 0.004 4 0 "[ . 1]" 1
905 1 66 ARG H 1 74 LEU QD . . 3.950 3.260 3.009 3.441 . 0 0 "[ . 1]" 1
906 1 66 ARG HA 1 66 ARG HG3 . . 4.060 2.621 2.420 3.063 . 0 0 "[ . 1]" 1
907 1 66 ARG HA 1 68 LEU H . . 4.470 4.267 4.143 4.389 . 0 0 "[ . 1]" 1
908 1 66 ARG HA 1 68 LEU HB2 . . 5.170 4.886 4.798 4.994 . 0 0 "[ . 1]" 1
909 1 66 ARG HA 1 74 LEU H . . 4.390 4.252 3.795 4.397 0.007 3 0 "[ . 1]" 1
910 1 66 ARG HA 1 74 LEU HB3 . . 4.480 2.539 2.316 2.729 . 0 0 "[ . 1]" 1
911 1 66 ARG HA 1 74 LEU QD . . 3.740 2.618 2.452 2.885 . 0 0 "[ . 1]" 1
912 1 66 ARG HB2 1 74 LEU HB3 . . 4.930 4.504 4.345 4.924 . 0 0 "[ . 1]" 1
913 1 66 ARG HB3 1 72 SER HA . . 4.450 2.030 1.995 2.169 . 0 0 "[ . 1]" 1
914 1 66 ARG HB3 1 73 THR H . . 5.210 4.875 4.387 5.078 . 0 0 "[ . 1]" 1
915 1 66 ARG HB3 1 74 LEU H . . 4.290 4.294 4.144 4.375 0.085 3 0 "[ . 1]" 1
916 1 66 ARG HB3 1 74 LEU HB3 . . 4.480 3.830 3.581 4.163 . 0 0 "[ . 1]" 1
917 1 66 ARG QD 1 72 SER HA . . 3.920 2.940 1.988 3.638 . 0 0 "[ . 1]" 1
918 1 66 ARG QD 1 74 LEU H . . 5.350 4.407 3.755 4.794 . 0 0 "[ . 1]" 1
919 1 66 ARG HG2 1 72 SER H . . 5.490 4.749 4.482 5.479 . 0 0 "[ . 1]" 1
920 1 66 ARG HG2 1 72 SER HA . . 3.740 2.532 2.183 3.115 . 0 0 "[ . 1]" 1
921 1 66 ARG HG2 1 74 LEU H . . 3.580 2.786 2.101 3.241 . 0 0 "[ . 1]" 1
922 1 67 LEU H 1 67 LEU HA . . 2.940 2.819 2.805 2.823 . 0 0 "[ . 1]" 1
923 1 67 LEU H 1 67 LEU HB2 . . 2.690 2.343 2.220 2.498 . 0 0 "[ . 1]" 1
924 1 67 LEU H 1 67 LEU MD1 . . 3.760 3.551 3.172 3.723 . 0 0 "[ . 1]" 1
925 1 67 LEU H 1 68 LEU H . . 3.290 2.624 2.605 2.686 . 0 0 "[ . 1]" 1
926 1 67 LEU H 1 70 GLY H . . 4.860 4.635 4.570 4.753 . 0 0 "[ . 1]" 1
927 1 67 LEU H 1 74 LEU QD . . 5.490 4.822 4.660 5.019 . 0 0 "[ . 1]" 1
928 1 67 LEU HA 1 67 LEU MD2 . . 3.060 2.160 2.057 2.361 . 0 0 "[ . 1]" 1
929 1 67 LEU HA 1 67 LEU HG . . 3.740 2.890 2.665 3.071 . 0 0 "[ . 1]" 1
930 1 67 LEU HB2 1 67 LEU MD1 . . 3.460 2.244 2.129 2.371 . 0 0 "[ . 1]" 1
931 1 67 LEU HB2 1 68 LEU H . . 3.610 2.778 2.640 2.873 . 0 0 "[ . 1]" 1
932 1 67 LEU MD2 1 70 GLY H . . 5.150 5.135 4.998 5.307 0.157 6 0 "[ . 1]" 1
933 1 68 LEU H 1 68 LEU HB2 . . 2.910 2.108 2.083 2.135 . 0 0 "[ . 1]" 1
934 1 68 LEU H 1 68 LEU HB3 . . 3.450 3.428 3.393 3.457 0.007 5 0 "[ . 1]" 1
935 1 68 LEU H 1 69 THR H . . 3.330 3.108 2.995 3.192 . 0 0 "[ . 1]" 1
936 1 68 LEU H 1 70 GLY H . . 4.390 3.738 3.646 3.798 . 0 0 "[ . 1]" 1
937 1 68 LEU HA 1 68 LEU MD2 . . 4.020 2.280 2.003 2.530 . 0 0 "[ . 1]" 1
938 1 68 LEU HB2 1 68 LEU MD1 . . 3.290 2.242 2.057 2.352 . 0 0 "[ . 1]" 1
939 1 68 LEU HB2 1 69 THR H . . 3.340 2.519 2.427 2.664 . 0 0 "[ . 1]" 1
940 1 68 LEU HB2 1 70 GLY H . . 4.670 4.500 4.390 4.601 . 0 0 "[ . 1]" 1
941 1 68 LEU HB3 1 69 THR H . . 3.760 2.370 2.192 2.500 . 0 0 "[ . 1]" 1
942 1 68 LEU HB3 1 69 THR HA . . 4.510 3.793 3.733 3.827 . 0 0 "[ . 1]" 1
943 1 68 LEU HB3 1 70 GLY H . . 4.910 4.608 4.501 4.685 . 0 0 "[ . 1]" 1
944 1 69 THR H 1 69 THR HB . . 2.760 2.591 2.490 2.727 . 0 0 "[ . 1]" 1
945 1 69 THR H 1 69 THR MG . . 2.930 2.148 2.098 2.265 . 0 0 "[ . 1]" 1
946 1 69 THR H 1 70 GLY H . . 2.920 2.594 2.481 2.719 . 0 0 "[ . 1]" 1
947 1 69 THR H 1 71 ASP H . . 4.250 4.114 3.993 4.251 0.001 5 0 "[ . 1]" 1
948 1 69 THR H 1 74 LEU QD . . 5.370 3.570 3.227 3.890 . 0 0 "[ . 1]" 1
949 1 69 THR HA 1 69 THR MG . . 3.240 3.197 3.187 3.205 . 0 0 "[ . 1]" 1
950 1 69 THR HB 1 74 LEU QD . . 5.310 3.063 2.503 3.707 . 0 0 "[ . 1]" 1
951 1 69 THR MG 1 70 GLY H . . 3.890 2.217 2.016 2.410 . 0 0 "[ . 1]" 1
952 1 69 THR MG 1 71 ASP H . . 4.150 1.972 1.863 2.287 . 0 0 "[ . 1]" 1
953 1 69 THR MG 1 74 LEU QD . . 3.330 1.809 1.699 2.141 . 0 0 "[ . 1]" 1
954 1 70 GLY H 1 70 GLY HA3 . . 2.810 2.922 2.908 2.943 0.133 2 0 "[ . 1]" 1
955 1 70 GLY H 1 71 ASP H . . 3.070 2.316 2.215 2.474 . 0 0 "[ . 1]" 1
956 1 70 GLY H 1 71 ASP HB2 . . 4.860 4.607 4.436 4.772 . 0 0 "[ . 1]" 1
957 1 70 GLY H 1 71 ASP HB3 . . 5.500 5.122 4.979 5.508 0.008 2 0 "[ . 1]" 1
958 1 70 GLY HA3 1 71 ASP H . . 3.310 3.438 3.141 3.546 0.236 9 0 "[ . 1]" 1
959 1 71 ASP H 1 71 ASP HB2 . . 3.180 2.794 2.117 3.084 . 0 0 "[ . 1]" 1
960 1 71 ASP H 1 71 ASP HB3 . . 3.330 3.073 2.935 3.290 . 0 0 "[ . 1]" 1
961 1 71 ASP H 1 72 SER H . . 4.270 4.193 3.980 4.287 0.017 6 0 "[ . 1]" 1
962 1 71 ASP H 1 74 LEU HB2 . . 4.850 4.365 4.089 4.722 . 0 0 "[ . 1]" 1
963 1 71 ASP HA 1 72 SER H . . 2.470 2.150 2.139 2.191 . 0 0 "[ . 1]" 1
964 1 71 ASP HA 1 73 THR H . . 3.900 3.546 3.353 3.681 . 0 0 "[ . 1]" 1
965 1 71 ASP HA 1 74 LEU H . . 4.850 4.618 4.454 4.863 0.013 6 0 "[ . 1]" 1
966 1 71 ASP HB2 1 72 SER H . . 4.700 4.489 4.320 4.634 . 0 0 "[ . 1]" 1
967 1 71 ASP HB2 1 73 THR H . . 4.950 4.692 4.208 4.840 . 0 0 "[ . 1]" 1
968 1 71 ASP HB2 1 74 LEU H . . 4.810 4.600 4.415 4.807 . 0 0 "[ . 1]" 1
969 1 71 ASP HB2 1 74 LEU HB2 . . 4.710 4.016 3.210 4.369 . 0 0 "[ . 1]" 1
970 1 71 ASP HB2 1 74 LEU QD . . 4.730 4.236 3.364 4.612 . 0 0 "[ . 1]" 1
971 1 71 ASP HB3 1 72 SER H . . 4.300 4.003 3.726 4.165 . 0 0 "[ . 1]" 1
972 1 71 ASP HB3 1 73 THR H . . 4.990 3.507 2.734 3.836 . 0 0 "[ . 1]" 1
973 1 71 ASP HB3 1 74 LEU H . . 4.360 2.907 2.656 3.235 . 0 0 "[ . 1]" 1
974 1 71 ASP HB3 1 74 LEU HB2 . . 4.910 2.578 2.154 2.987 . 0 0 "[ . 1]" 1
975 1 71 ASP HB3 1 74 LEU QD . . 4.940 3.553 3.200 3.951 . 0 0 "[ . 1]" 1
976 1 72 SER H 1 72 SER HB2 . . 3.850 2.451 2.213 2.784 . 0 0 "[ . 1]" 1
977 1 72 SER H 1 72 SER HB3 . . 4.120 3.350 2.331 3.634 . 0 0 "[ . 1]" 1
978 1 72 SER H 1 73 THR H . . 2.950 2.509 2.381 2.602 . 0 0 "[ . 1]" 1
979 1 72 SER H 1 74 LEU H . . 4.390 4.180 4.004 4.393 0.003 2 0 "[ . 1]" 1
980 1 72 SER HA 1 74 LEU H . . 3.850 3.664 3.455 3.855 0.005 6 0 "[ . 1]" 1
981 1 72 SER HB2 1 73 THR H . . 4.960 3.414 2.971 4.212 . 0 0 "[ . 1]" 1
982 1 72 SER HB3 1 73 THR H . . 5.290 3.814 3.057 4.379 . 0 0 "[ . 1]" 1
983 1 73 THR H 1 74 LEU H . . 2.890 2.501 1.988 2.761 . 0 0 "[ . 1]" 1
984 1 73 THR H 1 74 LEU HB2 . . 4.780 4.650 4.186 4.784 0.004 1 0 "[ . 1]" 1
985 1 73 THR H 1 74 LEU HB3 . . 4.940 4.775 4.259 4.946 0.006 1 0 "[ . 1]" 1
986 1 74 LEU H 1 74 LEU HB2 . . 2.890 2.527 2.425 2.742 . 0 0 "[ . 1]" 1
987 1 74 LEU H 1 74 LEU HB3 . . 2.990 2.496 2.363 2.588 . 0 0 "[ . 1]" 1
988 1 74 LEU H 1 74 LEU QD . . 4.320 3.672 3.602 3.711 . 0 0 "[ . 1]" 1
989 1 74 LEU H 1 74 LEU HG . . 4.630 4.455 4.426 4.494 . 0 0 "[ . 1]" 1
990 1 74 LEU H 1 75 GLU H . . 4.450 4.443 4.398 4.501 0.051 10 0 "[ . 1]" 1
991 1 74 LEU HA 1 74 LEU QD . . 4.030 3.108 3.079 3.145 . 0 0 "[ . 1]" 1
992 1 74 LEU HA 1 74 LEU HG . . 3.860 2.531 2.477 2.650 . 0 0 "[ . 1]" 1
993 1 74 LEU HA 1 75 GLU H . . 2.670 2.143 2.140 2.151 . 0 0 "[ . 1]" 1
994 1 74 LEU HB3 1 75 GLU H . . 5.260 4.338 4.302 4.398 . 0 0 "[ . 1]" 1
995 1 74 LEU QD 1 75 GLU H . . 3.740 3.443 3.303 3.537 . 0 0 "[ . 1]" 1
996 1 74 LEU QD 1 75 GLU HA . . 4.120 3.192 3.031 3.374 . 0 0 "[ . 1]" 1
997 1 74 LEU QD 1 75 GLU HG3 . . 5.500 5.324 5.174 5.453 . 0 0 "[ . 1]" 1
998 1 74 LEU QD 1 76 ILE H . . 4.610 4.240 4.032 4.541 . 0 0 "[ . 1]" 1
999 1 74 LEU QD 1 76 ILE HG13 . . 3.610 2.834 2.365 3.077 . 0 0 "[ . 1]" 1
1000 1 74 LEU HG 1 75 GLU H . . 3.550 3.118 2.870 3.304 . 0 0 "[ . 1]" 1
1001 1 75 GLU H 1 75 GLU HB2 . . 3.270 2.784 2.658 2.855 . 0 0 "[ . 1]" 1
1002 1 75 GLU H 1 75 GLU HB3 . . 3.960 3.837 3.782 3.872 . 0 0 "[ . 1]" 1
1003 1 75 GLU H 1 75 GLU HG2 . . 4.150 3.284 3.194 3.388 . 0 0 "[ . 1]" 1
1004 1 75 GLU H 1 76 ILE H . . 4.610 4.448 4.414 4.487 . 0 0 "[ . 1]" 1
1005 1 75 GLU HA 1 75 GLU HG2 . . 3.800 2.526 2.432 2.577 . 0 0 "[ . 1]" 1
1006 1 75 GLU HA 1 75 GLU HG3 . . 3.960 3.645 3.551 3.692 . 0 0 "[ . 1]" 1
1007 1 75 GLU HA 1 76 ILE H . . 2.670 2.321 2.261 2.389 . 0 0 "[ . 1]" 1
1008 1 75 GLU HA 1 76 ILE HG13 . . 4.390 3.498 3.387 3.583 . 0 0 "[ . 1]" 1
1009 1 75 GLU HB2 1 76 ILE H . . 3.740 3.655 3.488 3.742 0.002 3 0 "[ . 1]" 1
1010 1 75 GLU HB3 1 76 ILE H . . 3.260 2.662 2.468 2.834 . 0 0 "[ . 1]" 1
1011 1 76 ILE H 1 76 ILE HB . . 2.960 2.641 2.559 2.726 . 0 0 "[ . 1]" 1
1012 1 76 ILE H 1 76 ILE MD . . 4.190 4.059 3.912 4.191 0.001 2 0 "[ . 1]" 1
1013 1 76 ILE H 1 76 ILE HG12 . . 4.070 3.887 3.782 3.975 . 0 0 "[ . 1]" 1
1014 1 76 ILE H 1 76 ILE HG13 . . 3.390 2.792 2.644 2.949 . 0 0 "[ . 1]" 1
1015 1 76 ILE H 1 76 ILE MG . . 3.910 3.848 3.814 3.886 . 0 0 "[ . 1]" 1
1016 1 76 ILE H 1 77 GLN H . . 4.540 4.399 4.314 4.463 . 0 0 "[ . 1]" 1
1017 1 76 ILE H 1 77 GLN HG2 . . 4.370 4.283 4.024 4.498 0.128 5 0 "[ . 1]" 1
1018 1 76 ILE HA 1 76 ILE MD . . 4.370 3.819 3.804 3.832 . 0 0 "[ . 1]" 1
1019 1 76 ILE HA 1 76 ILE HG12 . . 3.770 2.515 2.488 2.535 . 0 0 "[ . 1]" 1
1020 1 76 ILE HA 1 76 ILE HG13 . . 3.840 3.059 3.023 3.096 . 0 0 "[ . 1]" 1
1021 1 76 ILE HA 1 76 ILE MG . . 3.400 2.371 2.326 2.401 . 0 0 "[ . 1]" 1
1022 1 76 ILE HA 1 77 GLN H . . 2.700 2.167 2.153 2.170 . 0 0 "[ . 1]" 1
1023 1 76 ILE HB 1 76 ILE MD . . 3.460 2.388 2.359 2.405 . 0 0 "[ . 1]" 1
1024 1 76 ILE HB 1 77 GLN H . . 4.360 4.112 4.078 4.180 . 0 0 "[ . 1]" 1
1025 1 76 ILE MD 1 76 ILE MG . . 3.040 1.969 1.911 2.061 . 0 0 "[ . 1]" 1
1026 1 76 ILE MD 1 77 GLN H . . 5.280 4.999 4.978 5.044 . 0 0 "[ . 1]" 1
1027 1 76 ILE HG13 1 76 ILE MG . . 3.620 3.198 3.186 3.204 . 0 0 "[ . 1]" 1
1028 1 76 ILE HG13 1 77 GLN H . . 5.300 5.055 5.024 5.083 . 0 0 "[ . 1]" 1
1029 1 76 ILE MG 1 77 GLN H . . 3.190 2.435 2.193 2.638 . 0 0 "[ . 1]" 1
1030 1 76 ILE MG 1 77 GLN HA . . 4.730 3.519 3.376 3.707 . 0 0 "[ . 1]" 1
1031 1 76 ILE MG 1 78 PRO HD2 . . 5.500 5.332 5.284 5.435 . 0 0 "[ . 1]" 1
1032 1 77 GLN H 1 77 GLN HG2 . . 4.220 3.241 2.499 3.408 . 0 0 "[ . 1]" 1
1033 1 77 GLN H 1 78 PRO HD2 . . 4.840 4.811 4.797 4.814 . 0 0 "[ . 1]" 1
1034 1 77 GLN HA 1 77 GLN HG2 . . 3.810 2.664 2.368 3.563 . 0 0 "[ . 1]" 1
1035 1 77 GLN HA 1 77 GLN HG3 . . 4.120 3.611 3.557 3.775 . 0 0 "[ . 1]" 1
1036 1 77 GLN HA 1 78 PRO HD2 . . 3.020 2.409 2.398 2.477 . 0 0 "[ . 1]" 1
1037 1 77 GLN HA 1 78 PRO HG2 . . 4.640 4.519 4.511 4.575 . 0 0 "[ . 1]" 1
1038 1 78 PRO HA 1 79 MET H . . 2.700 2.178 2.153 2.246 . 0 0 "[ . 1]" 1
1039 1 78 PRO HB2 1 79 MET H . . 4.200 3.829 3.664 4.060 . 0 0 "[ . 1]" 1
1040 1 78 PRO HD2 1 79 MET H . . 5.500 5.444 5.251 5.547 0.047 6 0 "[ . 1]" 1
1041 1 79 MET H 1 79 MET HB2 . . 3.150 2.523 2.362 2.693 . 0 0 "[ . 1]" 1
1042 1 79 MET H 1 79 MET HB3 . . 3.030 2.545 2.400 2.705 . 0 0 "[ . 1]" 1
1043 1 79 MET H 1 80 ILE H . . 4.990 4.542 4.443 4.626 . 0 0 "[ . 1]" 1
1044 1 79 MET HA 1 79 MET HG2 . . 4.060 2.880 2.286 3.808 . 0 0 "[ . 1]" 1
1045 1 79 MET HA 1 80 ILE H . . 2.630 2.168 2.141 2.243 . 0 0 "[ . 1]" 1
1046 1 79 MET HB2 1 80 ILE H . . 4.370 4.230 3.982 4.357 . 0 0 "[ . 1]" 1
1047 1 79 MET HG2 1 80 ILE H . . 4.270 3.355 2.407 4.787 0.517 7 1 "[ . + 1]" 1
1048 1 80 ILE H 1 80 ILE HB . . 3.000 2.636 2.598 2.701 . 0 0 "[ . 1]" 1
1049 1 80 ILE H 1 80 ILE MD . . 4.650 3.625 3.399 3.698 . 0 0 "[ . 1]" 1
1050 1 80 ILE H 1 80 ILE HG12 . . 4.540 3.020 2.489 3.393 . 0 0 "[ . 1]" 1
1051 1 80 ILE H 1 80 ILE HG13 . . 4.680 3.117 2.154 4.119 . 0 0 "[ . 1]" 1
1052 1 80 ILE H 1 80 ILE MG . . 3.970 3.831 3.793 3.878 . 0 0 "[ . 1]" 1
1053 1 80 ILE H 1 81 VAL H . . 5.320 4.474 4.330 4.543 . 0 0 "[ . 1]" 1
1054 1 80 ILE HA 1 80 ILE MD . . 4.080 2.956 1.998 3.858 . 0 0 "[ . 1]" 1
1055 1 80 ILE HA 1 81 VAL H . . 2.460 2.170 2.143 2.200 . 0 0 "[ . 1]" 1
1056 1 80 ILE HB 1 80 ILE MD . . 3.350 2.798 2.348 3.230 . 0 0 "[ . 1]" 1
1057 1 80 ILE HB 1 81 VAL H . . 4.200 4.042 3.933 4.184 . 0 0 "[ . 1]" 1
1058 1 80 ILE HG12 1 81 VAL H . . 5.380 4.796 4.470 5.148 . 0 0 "[ . 1]" 1
1059 1 80 ILE HG13 1 81 VAL H . . 5.500 5.220 5.109 5.470 . 0 0 "[ . 1]" 1
1060 1 80 ILE MG 1 81 VAL H . . 4.930 2.381 2.131 2.652 . 0 0 "[ . 1]" 1
1061 1 81 VAL H 1 81 VAL HB . . 3.030 2.608 2.523 2.726 . 0 0 "[ . 1]" 1
1062 1 81 VAL H 1 81 VAL MG1 . . 3.880 3.065 1.921 3.845 . 0 0 "[ . 1]" 1
1063 1 81 VAL H 1 81 VAL MG2 . . 3.100 2.986 2.299 3.779 0.679 5 4 "[** + - 1]" 1
1064 1 81 VAL MG2 1 82 PRO HD2 . . 4.650 2.846 1.904 3.508 . 0 0 "[ . 1]" 1
1065 1 82 PRO HA 1 83 THR H . . 2.580 2.321 2.152 2.530 . 0 0 "[ . 1]" 1
1066 1 82 PRO HB2 1 83 THR H . . 4.150 3.187 2.303 4.288 0.138 8 0 "[ . 1]" 1
1067 1 83 THR H 1 83 THR MG . . 3.970 3.044 1.934 4.006 0.036 8 0 "[ . 1]" 1
1068 1 85 GLU HA 1 85 GLU HG2 . . 4.230 3.006 2.422 3.696 . 0 0 "[ . 1]" 1
1069 1 85 GLU HA 1 85 GLU HG3 . . 3.990 3.024 2.428 3.872 . 0 0 "[ . 1]" 1
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