NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490199 |
2l4b   |
17235 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l4b
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 1738
_Distance_constraint_stats_list.Viol_count 1275
_Distance_constraint_stats_list.Viol_total 425.735
_Distance_constraint_stats_list.Viol_max 0.208
_Distance_constraint_stats_list.Viol_rms 0.0052
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0006
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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 4 MET 0.038 0.037 13 0 "[ . 1 . 2]"
1 5 VAL 0.630 0.208 14 0 "[ . 1 . 2]"
1 6 SER 0.204 0.021 8 0 "[ . 1 . 2]"
1 7 GLU 0.951 0.055 8 0 "[ . 1 . 2]"
1 8 GLU 0.929 0.051 16 0 "[ . 1 . 2]"
1 9 ILE 1.598 0.051 16 0 "[ . 1 . 2]"
1 10 LYS 1.747 0.055 8 0 "[ . 1 . 2]"
1 11 ALA 0.174 0.016 17 0 "[ . 1 . 2]"
1 12 GLN 1.217 0.068 17 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 MET 0.152 0.015 17 0 "[ . 1 . 2]"
1 15 GLU 0.016 0.012 19 0 "[ . 1 . 2]"
1 16 SER 0.047 0.011 8 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ILE 0.337 0.039 7 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.044 0.027 17 0 "[ . 1 . 2]"
1 21 LEU 1.293 0.043 10 0 "[ . 1 . 2]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LEU 0.690 0.056 5 0 "[ . 1 . 2]"
1 24 ASN 0.047 0.028 20 0 "[ . 1 . 2]"
1 25 ASP 0.429 0.103 7 0 "[ . 1 . 2]"
1 26 GLU 0.344 0.103 7 0 "[ . 1 . 2]"
1 27 GLN 0.422 0.056 5 0 "[ . 1 . 2]"
1 28 LYS 0.143 0.028 20 0 "[ . 1 . 2]"
1 29 GLN 0.081 0.021 7 0 "[ . 1 . 2]"
1 30 ILE 0.114 0.021 7 0 "[ . 1 . 2]"
1 31 LEU 0.501 0.040 11 0 "[ . 1 . 2]"
1 32 SER 0.307 0.017 18 0 "[ . 1 . 2]"
1 33 GLY 0.130 0.019 5 0 "[ . 1 . 2]"
1 34 THR 0.007 0.004 4 0 "[ . 1 . 2]"
1 35 THR 0.277 0.023 18 0 "[ . 1 . 2]"
1 36 ASN 0.056 0.023 19 0 "[ . 1 . 2]"
1 37 LEU 1.089 0.172 10 0 "[ . 1 . 2]"
1 38 ALA 0.143 0.021 20 0 "[ . 1 . 2]"
1 39 LYS 0.016 0.016 16 0 "[ . 1 . 2]"
1 40 ASP 0.059 0.023 19 0 "[ . 1 . 2]"
1 41 PHE 1.394 0.104 16 0 "[ . 1 . 2]"
1 42 ASN 0.933 0.104 16 0 "[ . 1 . 2]"
1 43 LEU 0.915 0.032 10 0 "[ . 1 . 2]"
1 44 ASP 0.008 0.005 11 0 "[ . 1 . 2]"
1 46 LEU 1.716 0.082 16 0 "[ . 1 . 2]"
1 47 ASP 2.683 0.082 16 0 "[ . 1 . 2]"
1 48 PHE 1.140 0.028 15 0 "[ . 1 . 2]"
1 49 VAL 0.037 0.013 10 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LEU 0.628 0.040 1 0 "[ . 1 . 2]"
1 52 ILE 1.084 0.040 1 0 "[ . 1 . 2]"
1 53 MET 0.295 0.024 6 0 "[ . 1 . 2]"
1 54 SER 0.891 0.055 2 0 "[ . 1 . 2]"
1 55 LEU 0.973 0.068 17 0 "[ . 1 . 2]"
1 56 GLU 3.014 0.095 9 0 "[ . 1 . 2]"
1 57 GLU 1.858 0.095 9 0 "[ . 1 . 2]"
1 58 ARG 0.487 0.031 17 0 "[ . 1 . 2]"
1 59 PHE 0.636 0.026 6 0 "[ . 1 . 2]"
1 60 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 LEU 0.473 0.063 6 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.243 0.037 6 0 "[ . 1 . 2]"
1 64 SER 0.089 0.015 6 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 15 0 "[ . 1 . 2]"
1 66 GLU 0.315 0.132 15 0 "[ . 1 . 2]"
1 67 ASP 0.080 0.023 15 0 "[ . 1 . 2]"
1 68 ALA 0.385 0.132 15 0 "[ . 1 . 2]"
1 69 GLN 0.118 0.037 15 0 "[ . 1 . 2]"
1 70 LYS 1.026 0.041 12 0 "[ . 1 . 2]"
1 71 LEU 1.087 0.041 12 0 "[ . 1 . 2]"
1 72 GLU 0.061 0.032 19 0 "[ . 1 . 2]"
1 73 THR 0.110 0.032 19 0 "[ . 1 . 2]"
1 74 VAL 0.160 0.022 7 0 "[ . 1 . 2]"
1 75 ASP 0.036 0.010 8 0 "[ . 1 . 2]"
1 76 ASP 0.006 0.004 6 0 "[ . 1 . 2]"
1 77 ILE 0.397 0.024 20 0 "[ . 1 . 2]"
1 78 CYS 0.881 0.037 5 0 "[ . 1 . 2]"
1 79 ARG 0.562 0.087 8 0 "[ . 1 . 2]"
1 80 TYR 0.309 0.017 15 0 "[ . 1 . 2]"
1 81 ILE 0.738 0.037 5 0 "[ . 1 . 2]"
1 82 ALA 0.012 0.007 5 0 "[ . 1 . 2]"
1 83 SER 0.015 0.015 11 0 "[ . 1 . 2]"
1 84 LYS 0.248 0.023 14 0 "[ . 1 . 2]"
1 85 SER 0.057 0.011 18 0 "[ . 1 . 2]"
1 86 SER 0.029 0.011 18 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 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 51 LEU HB2 1 52 ILE H . . 4.060 2.571 2.528 2.605 . 0 0 "[ . 1 . 2]" 1
2 1 51 LEU HB2 1 52 ILE MG . . 3.660 3.629 3.560 3.678 0.018 7 0 "[ . 1 . 2]" 1
3 1 5 VAL H 1 5 VAL HB . . 3.400 2.732 2.576 3.608 0.208 14 0 "[ . 1 . 2]" 1
4 1 5 VAL HA 1 6 SER H . . 3.050 2.268 2.172 2.611 . 0 0 "[ . 1 . 2]" 1
5 1 5 VAL HA 1 5 VAL MG1 . . 3.390 2.297 2.210 2.382 . 0 0 "[ . 1 . 2]" 1
6 1 5 VAL HA 1 5 VAL MG2 . . 3.390 2.472 2.287 3.199 . 0 0 "[ . 1 . 2]" 1
7 1 6 SER HA 1 7 GLU H . . 3.260 2.196 2.147 2.256 . 0 0 "[ . 1 . 2]" 1
8 1 6 SER HA 1 9 ILE H . . 4.690 4.377 4.289 4.465 . 0 0 "[ . 1 . 2]" 1
9 1 5 VAL HB 1 6 SER HA . . 5.230 4.981 4.537 5.224 . 0 0 "[ . 1 . 2]" 1
10 1 6 SER HA 1 9 ILE HG13 . . 5.050 4.693 4.607 4.802 . 0 0 "[ . 1 . 2]" 1
11 1 6 SER HB3 1 7 GLU H . . 4.630 4.206 3.684 4.549 . 0 0 "[ . 1 . 2]" 1
12 1 6 SER H 1 6 SER HB3 . . 3.640 2.985 2.516 3.574 . 0 0 "[ . 1 . 2]" 1
13 1 6 SER HB3 1 9 ILE H . . 4.800 2.847 2.266 4.290 . 0 0 "[ . 1 . 2]" 1
14 1 6 SER HB3 1 9 ILE HB . . 4.320 2.936 2.509 4.223 . 0 0 "[ . 1 . 2]" 1
15 1 6 SER HB3 1 9 ILE HG13 . . 5.120 2.443 2.048 3.641 . 0 0 "[ . 1 . 2]" 1
16 1 6 SER HB3 1 9 ILE MD . . 4.140 2.846 2.545 3.278 . 0 0 "[ . 1 . 2]" 1
17 1 6 SER HB2 1 9 ILE MD . . 4.140 3.016 2.535 3.246 . 0 0 "[ . 1 . 2]" 1
18 1 6 SER HB2 1 9 ILE HG13 . . 5.120 3.223 2.276 3.620 . 0 0 "[ . 1 . 2]" 1
19 1 6 SER HB2 1 9 ILE HB . . 4.320 3.623 2.763 4.317 . 0 0 "[ . 1 . 2]" 1
20 1 6 SER HB2 1 9 ILE H . . 4.800 3.840 2.638 4.392 . 0 0 "[ . 1 . 2]" 1
21 1 6 SER H 1 6 SER HB2 . . 3.640 2.557 2.191 3.594 . 0 0 "[ . 1 . 2]" 1
22 1 7 GLU HA 1 10 LYS H . . 3.880 3.365 3.284 3.437 . 0 0 "[ . 1 . 2]" 1
23 1 7 GLU HA 1 9 ILE H . . 4.850 4.608 4.516 4.677 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLU HA 1 10 LYS HB2 . . 3.420 2.400 2.274 2.523 . 0 0 "[ . 1 . 2]" 1
25 1 7 GLU HA 1 10 LYS HB3 . . 3.820 2.703 2.584 2.812 . 0 0 "[ . 1 . 2]" 1
26 1 7 GLU HA 1 10 LYS HD2 . . 5.500 4.458 4.371 4.611 . 0 0 "[ . 1 . 2]" 1
27 1 7 GLU HA 1 10 LYS HD3 . . 5.500 5.540 5.515 5.555 0.055 8 0 "[ . 1 . 2]" 1
28 1 8 GLU HA 1 11 ALA H . . 4.170 4.026 3.997 4.049 . 0 0 "[ . 1 . 2]" 1
29 1 8 GLU HA 1 11 ALA MB . . 3.810 3.649 3.575 3.772 . 0 0 "[ . 1 . 2]" 1
30 1 8 GLU HG2 1 9 ILE H . . 4.870 3.992 3.438 4.454 . 0 0 "[ . 1 . 2]" 1
31 1 8 GLU HG3 1 9 ILE H . . 4.870 4.399 3.694 4.831 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLU H 1 7 GLU HB2 . . 3.880 2.615 2.203 3.594 . 0 0 "[ . 1 . 2]" 1
33 1 26 GLU H 1 26 GLU HB3 . . 3.690 3.413 2.575 3.610 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE HA 1 13 VAL H . . 4.670 3.989 3.974 3.998 . 0 0 "[ . 1 . 2]" 1
35 1 9 ILE HA 1 12 GLN H . . 3.990 3.107 3.096 3.128 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE HA 1 59 PHE HE1 . . 4.540 4.063 3.938 4.239 . 0 0 "[ . 1 . 2]" 1
37 1 9 ILE HA 1 59 PHE HE2 . . 4.690 3.438 3.284 3.562 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE HA 1 12 GLN HG2 . . 4.390 4.049 3.945 4.127 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE HA 1 12 GLN HB2 . . 3.720 2.441 2.420 2.486 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE HA 1 12 GLN HG3 . . 4.300 3.102 3.056 3.137 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE HA 1 12 GLN HB3 . . 4.210 4.087 4.058 4.134 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE HA 1 9 ILE HG13 . . 3.490 3.271 3.258 3.304 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE HA 1 9 ILE HG12 . . 3.300 2.608 2.600 2.615 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HA 1 9 ILE MD . . 3.860 3.835 3.823 3.842 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE HA 1 81 ILE MG . . 5.070 4.769 4.627 4.875 . 0 0 "[ . 1 . 2]" 1
46 1 6 SER H 1 9 ILE HB . . 5.010 4.606 4.017 4.954 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE HB 1 10 LYS H . . 3.630 2.810 2.723 2.822 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE H 1 9 ILE HB . . 3.350 2.685 2.675 2.699 . 0 0 "[ . 1 . 2]" 1
49 1 6 SER HA 1 9 ILE HB . . 5.500 5.299 5.235 5.388 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE HB 1 9 ILE MD . . 3.010 2.421 2.397 2.444 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE HB 1 81 ILE MG . . 5.220 3.699 3.579 3.865 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE HG12 . . 3.900 3.022 2.967 3.044 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HG12 1 10 LYS H . . 5.300 4.826 4.771 4.840 . 0 0 "[ . 1 . 2]" 1
54 1 8 GLU H 1 9 ILE HG12 . . 5.500 5.540 5.533 5.551 0.051 16 0 "[ . 1 . 2]" 1
55 1 9 ILE HG12 1 59 PHE HE2 . . 4.590 2.355 2.217 2.533 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE HG12 1 81 ILE MG . . 4.340 3.837 3.606 3.940 . 0 0 "[ . 1 . 2]" 1
57 1 9 ILE HG13 1 81 ILE MG . . 4.610 4.355 4.201 4.437 . 0 0 "[ . 1 . 2]" 1
58 1 9 ILE HG13 1 59 PHE HE2 . . 4.650 4.046 3.884 4.237 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE H 1 9 ILE HG13 . . 3.530 1.948 1.938 1.958 . 0 0 "[ . 1 . 2]" 1
60 1 6 SER H 1 9 ILE HG13 . . 5.500 5.177 4.813 5.482 . 0 0 "[ . 1 . 2]" 1
61 1 8 GLU H 1 9 ILE HG13 . . 5.500 4.236 4.205 4.302 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE MG 1 59 PHE HE1 . . 4.100 2.750 2.638 2.867 . 0 0 "[ . 1 . 2]" 1
63 1 9 ILE H 1 9 ILE MG . . 4.130 3.769 3.767 3.770 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE MG 1 12 GLN H . . 4.470 3.850 3.819 3.930 . 0 0 "[ . 1 . 2]" 1
65 1 9 ILE MG 1 10 LYS H . . 3.910 3.850 3.811 3.861 . 0 0 "[ . 1 . 2]" 1
66 1 52 ILE H 1 52 ILE MG . . 4.140 2.252 2.234 2.339 . 0 0 "[ . 1 . 2]" 1
67 1 9 ILE HA 1 9 ILE MG . . 3.050 2.259 2.251 2.274 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE MG 1 81 ILE MG . . 3.010 1.985 1.867 2.095 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE MD 1 86 SER H . . 4.680 4.589 4.399 4.681 0.001 14 0 "[ . 1 . 2]" 1
70 1 9 ILE MD 1 10 LYS H . . 4.840 4.695 4.645 4.714 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE MD 1 81 ILE H . . 5.440 4.948 4.785 5.096 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE H 1 9 ILE MD . . 4.020 3.607 3.594 3.619 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE MD 1 59 PHE HD2 . . 5.300 3.502 3.265 3.631 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE MD 1 59 PHE HE2 . . 4.370 3.410 3.258 3.543 . 0 0 "[ . 1 . 2]" 1
75 1 6 SER HA 1 9 ILE MD . . 4.970 4.979 4.960 4.991 0.021 8 0 "[ . 1 . 2]" 1
76 1 9 ILE MD 1 82 ALA HA . . 3.360 2.002 1.887 2.169 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MD 1 85 SER HB2 . . 4.320 2.524 2.002 3.329 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE MD 1 82 ALA MB . . 3.470 2.788 2.545 2.983 . 0 0 "[ . 1 . 2]" 1
79 1 10 LYS HA 1 10 LYS HD2 . . 3.920 3.947 3.914 3.959 0.039 8 0 "[ . 1 . 2]" 1
80 1 9 ILE MG 1 10 LYS HA . . 4.140 4.057 4.033 4.074 . 0 0 "[ . 1 . 2]" 1
81 1 10 LYS HA 1 13 VAL H . . 4.260 3.595 3.577 3.615 . 0 0 "[ . 1 . 2]" 1
82 1 10 LYS HA 1 14 MET H . . 4.650 3.873 3.850 3.915 . 0 0 "[ . 1 . 2]" 1
83 1 10 LYS HA 1 10 LYS HD3 . . 3.920 3.084 2.983 3.178 . 0 0 "[ . 1 . 2]" 1
84 1 11 ALA HA 1 13 VAL H . . 4.890 4.670 4.636 4.705 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA HA 1 14 MET H . . 3.890 3.742 3.718 3.765 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA HA 1 15 GLU H . . 4.380 3.817 3.793 3.835 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA HA 1 14 MET HG2 . . 4.150 2.150 2.132 2.167 . 0 0 "[ . 1 . 2]" 1
88 1 11 ALA HA 1 14 MET HG3 . . 4.130 2.269 2.259 2.288 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA HA 1 14 MET HB2 . . 4.750 4.661 4.645 4.682 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA HA 1 13 VAL MG2 . . 5.240 4.252 4.232 4.268 . 0 0 "[ . 1 . 2]" 1
91 1 11 ALA MB 1 13 VAL H . . 4.970 4.746 4.722 4.775 . 0 0 "[ . 1 . 2]" 1
92 1 11 ALA MB 1 14 MET H . . 5.040 4.850 4.830 4.869 . 0 0 "[ . 1 . 2]" 1
93 1 11 ALA H 1 11 ALA MB . . 2.750 2.137 2.045 2.244 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA MB 1 12 GLN H . . 3.160 2.800 2.744 2.860 . 0 0 "[ . 1 . 2]" 1
95 1 11 ALA MB 1 12 GLN HE21 . . 4.820 4.699 4.480 4.824 0.004 20 0 "[ . 1 . 2]" 1
96 1 11 ALA MB 1 12 GLN HG2 . . 4.130 3.541 3.407 3.678 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA MB 1 14 MET HG2 . . 4.570 3.787 3.751 3.815 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA MB 1 14 MET HG3 . . 4.510 3.742 3.725 3.755 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA MB 1 14 MET ME . . 3.660 2.360 2.199 2.479 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLN HA 1 14 MET H . . 5.030 4.542 4.506 4.566 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLN HA 1 16 SER H . . 4.580 4.009 3.945 4.042 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLN HA 1 15 GLU H . . 3.630 3.549 3.534 3.563 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLN HA 1 12 GLN HE21 . . 5.080 2.178 2.052 2.294 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLN HA 1 59 PHE HZ . . 4.800 4.734 4.688 4.807 0.007 5 0 "[ . 1 . 2]" 1
105 1 12 GLN HA 1 12 GLN HG2 . . 3.490 2.416 2.385 2.471 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLN HA 1 12 GLN HG3 . . 3.780 3.642 3.627 3.666 . 0 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 12 GLN HA . . 4.310 3.827 3.769 3.890 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLN HA 1 13 VAL MG1 . . 5.500 5.016 4.995 5.032 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLN HA 1 55 LEU MD2 . . 5.500 4.659 4.621 4.705 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLN HA 1 58 ARG HG2 . . 5.500 5.442 5.196 5.508 0.008 14 0 "[ . 1 . 2]" 1
111 1 11 ALA MB 1 12 GLN HB2 . . 4.930 4.500 4.445 4.560 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLN HB2 1 55 LEU MD2 . . 5.300 3.761 3.679 3.822 . 0 0 "[ . 1 . 2]" 1
113 1 12 GLN HB2 1 58 ARG HG2 . . 4.640 4.635 4.498 4.666 0.026 6 0 "[ . 1 . 2]" 1
114 1 9 ILE MG 1 12 GLN HB3 . . 4.920 3.662 3.607 3.781 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLN HB3 1 58 ARG HG2 . . 5.090 3.235 3.034 3.294 . 0 0 "[ . 1 . 2]" 1
116 1 12 GLN HB3 1 55 LEU MD2 . . 4.600 3.105 3.081 3.150 . 0 0 "[ . 1 . 2]" 1
117 1 12 GLN HB3 1 12 GLN HG3 . . 3.000 2.686 2.668 2.695 . 0 0 "[ . 1 . 2]" 1
118 1 12 GLN H 1 12 GLN HB3 . . 3.570 3.540 3.531 3.552 . 0 0 "[ . 1 . 2]" 1
119 1 12 GLN HB3 1 13 VAL H . . 4.300 3.323 3.286 3.353 . 0 0 "[ . 1 . 2]" 1
120 1 12 GLN HG2 1 13 VAL H . . 4.700 4.651 4.612 4.680 . 0 0 "[ . 1 . 2]" 1
121 1 11 ALA H 1 12 GLN HG2 . . 5.090 4.966 4.861 5.032 . 0 0 "[ . 1 . 2]" 1
122 1 12 GLN H 1 12 GLN HG2 . . 3.390 2.930 2.847 2.986 . 0 0 "[ . 1 . 2]" 1
123 1 12 GLN HG2 1 59 PHE HZ . . 4.660 3.540 3.491 3.573 . 0 0 "[ . 1 . 2]" 1
124 1 12 GLN HG2 1 55 LEU MD2 . . 5.500 5.526 5.505 5.568 0.068 17 0 "[ . 1 . 2]" 1
125 1 12 GLN HG2 1 58 ARG HG2 . . 5.500 5.401 5.262 5.483 . 0 0 "[ . 1 . 2]" 1
126 1 12 GLN HG3 1 58 ARG HG2 . . 4.980 4.566 4.492 4.655 . 0 0 "[ . 1 . 2]" 1
127 1 12 GLN HG3 1 58 ARG HG3 . . 5.500 5.180 4.862 5.276 . 0 0 "[ . 1 . 2]" 1
128 1 12 GLN HG3 1 13 VAL MG1 . . 5.500 5.331 5.295 5.359 . 0 0 "[ . 1 . 2]" 1
129 1 12 GLN HG3 1 55 LEU MD2 . . 5.500 5.067 5.009 5.129 . 0 0 "[ . 1 . 2]" 1
130 1 11 ALA MB 1 12 GLN HG3 . . 4.840 4.637 4.565 4.718 . 0 0 "[ . 1 . 2]" 1
131 1 12 GLN HB2 1 12 GLN HG3 . . 3.000 2.238 2.234 2.245 . 0 0 "[ . 1 . 2]" 1
132 1 12 GLN H 1 12 GLN HG3 . . 3.620 3.520 3.513 3.528 . 0 0 "[ . 1 . 2]" 1
133 1 11 ALA H 1 12 GLN HG3 . . 5.500 5.508 5.503 5.516 0.016 17 0 "[ . 1 . 2]" 1
134 1 12 GLN HG3 1 13 VAL H . . 5.060 4.812 4.793 4.837 . 0 0 "[ . 1 . 2]" 1
135 1 13 VAL HA 1 16 SER H . . 4.080 3.609 3.586 3.662 . 0 0 "[ . 1 . 2]" 1
136 1 13 VAL HA 1 13 VAL MG1 . . 2.840 2.305 2.294 2.322 . 0 0 "[ . 1 . 2]" 1
137 1 13 VAL HB 1 14 MET H . . 3.680 3.594 3.565 3.627 . 0 0 "[ . 1 . 2]" 1
138 1 13 VAL H 1 13 VAL MG1 . . 3.160 2.389 2.357 2.406 . 0 0 "[ . 1 . 2]" 1
139 1 13 VAL MG1 1 14 MET H . . 4.290 3.933 3.926 3.942 . 0 0 "[ . 1 . 2]" 1
140 1 12 GLN H 1 13 VAL MG1 . . 4.570 4.307 4.280 4.331 . 0 0 "[ . 1 . 2]" 1
141 1 13 VAL MG1 1 59 PHE HD1 . . 4.780 4.307 4.215 4.433 . 0 0 "[ . 1 . 2]" 1
142 1 13 VAL MG1 1 59 PHE HE1 . . 3.520 3.178 3.086 3.288 . 0 0 "[ . 1 . 2]" 1
143 1 10 LYS HA 1 13 VAL MG1 . . 3.850 3.468 3.412 3.501 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLN HB2 1 13 VAL MG1 . . 4.360 3.492 3.437 3.524 . 0 0 "[ . 1 . 2]" 1
145 1 9 ILE MG 1 13 VAL MG1 . . 2.830 2.175 2.151 2.206 . 0 0 "[ . 1 . 2]" 1
146 1 13 VAL H 1 13 VAL MG2 . . 4.050 1.889 1.877 1.905 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL MG2 1 78 CYS H . . 4.500 4.139 4.042 4.251 . 0 0 "[ . 1 . 2]" 1
148 1 11 ALA H 1 13 VAL MG2 . . 4.810 3.943 3.931 3.952 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLN H 1 13 VAL MG2 . . 5.410 3.495 3.482 3.509 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL MG2 1 15 GLU H . . 5.500 4.082 4.072 4.095 . 0 0 "[ . 1 . 2]" 1
151 1 10 LYS HA 1 13 VAL MG2 . . 3.870 1.904 1.888 1.920 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL HA 1 13 VAL MG2 . . 3.320 3.199 3.198 3.201 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN HB2 1 13 VAL MG2 . . 5.250 4.077 4.051 4.107 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL H 1 14 MET HB3 . . 5.200 5.029 4.984 5.059 . 0 0 "[ . 1 . 2]" 1
155 1 11 ALA HA 1 14 MET HB3 . . 4.170 4.048 4.002 4.085 . 0 0 "[ . 1 . 2]" 1
156 1 11 ALA MB 1 14 MET HB3 . . 5.500 5.427 5.387 5.460 . 0 0 "[ . 1 . 2]" 1
157 1 14 MET HA 1 14 MET HG2 . . 4.240 4.211 4.205 4.216 . 0 0 "[ . 1 . 2]" 1
158 1 14 MET HG2 1 15 GLU H . . 5.120 3.647 3.633 3.653 . 0 0 "[ . 1 . 2]" 1
159 1 14 MET H 1 14 MET HG2 . . 3.680 3.231 3.198 3.255 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL H 1 14 MET HG2 . . 5.390 5.249 5.206 5.270 . 0 0 "[ . 1 . 2]" 1
161 1 10 LYS HD2 1 14 MET HG2 . . 4.410 3.406 3.336 3.505 . 0 0 "[ . 1 . 2]" 1
162 1 10 LYS HD3 1 14 MET HG2 . . 4.410 2.816 2.719 2.945 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL MG2 1 14 MET HG2 . . 4.170 3.990 3.943 4.035 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL MG2 1 14 MET HG3 . . 3.780 3.654 3.614 3.704 . 0 0 "[ . 1 . 2]" 1
165 1 10 LYS HD3 1 14 MET HG3 . . 5.000 3.951 3.896 4.034 . 0 0 "[ . 1 . 2]" 1
166 1 10 LYS HD2 1 14 MET HG3 . . 5.000 4.846 4.761 4.959 . 0 0 "[ . 1 . 2]" 1
167 1 14 MET ME 1 14 MET HG3 . . 3.870 2.463 2.286 2.515 . 0 0 "[ . 1 . 2]" 1
168 1 14 MET HA 1 14 MET HG3 . . 3.710 3.614 3.609 3.618 . 0 0 "[ . 1 . 2]" 1
169 1 14 MET HG3 1 15 GLU H . . 5.040 1.919 1.909 1.927 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET H 1 14 MET HG3 . . 3.500 2.238 2.183 2.275 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL H 1 14 MET HG3 . . 5.180 4.171 4.124 4.199 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL H 1 14 MET HA . . 5.460 5.279 5.261 5.295 . 0 0 "[ . 1 . 2]" 1
173 1 14 MET HA 1 17 VAL H . . 3.890 3.511 3.460 3.602 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET HA 1 16 SER H . . 5.010 4.288 4.271 4.318 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL MG2 1 14 MET HA . . 3.520 3.328 3.314 3.339 . 0 0 "[ . 1 . 2]" 1
176 1 14 MET H 1 14 MET ME . . 4.530 4.310 4.226 4.366 . 0 0 "[ . 1 . 2]" 1
177 1 11 ALA H 1 14 MET ME . . 5.320 4.444 4.358 4.547 . 0 0 "[ . 1 . 2]" 1
178 1 14 MET ME 1 15 GLU H . . 4.830 3.079 3.034 3.215 . 0 0 "[ . 1 . 2]" 1
179 1 12 GLN HE21 1 14 MET ME . . 5.500 5.508 5.504 5.515 0.015 17 0 "[ . 1 . 2]" 1
180 1 12 GLN HA 1 14 MET ME . . 4.580 4.378 4.324 4.470 . 0 0 "[ . 1 . 2]" 1
181 1 14 MET ME 1 15 GLU HA . . 3.790 3.330 3.051 3.514 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLU HA 1 18 ILE H . . 4.020 3.912 3.875 3.986 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLU HA 1 18 ILE HB . . 3.270 3.112 3.052 3.170 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLU HA 1 18 ILE MD . . 3.300 2.504 2.294 2.673 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLU HA 1 17 VAL H . . 5.490 4.621 4.536 4.809 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLU H 1 15 GLU HG3 . . 4.810 4.470 4.408 4.517 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLU HG3 1 16 SER H . . 4.910 4.486 3.896 4.787 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLU HG2 1 16 SER H . . 4.910 3.946 3.672 4.654 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLU H 1 15 GLU HG2 . . 4.810 4.438 4.350 4.594 . 0 0 "[ . 1 . 2]" 1
190 1 16 SER HA 1 20 CYS H . . 4.990 4.178 4.143 4.275 . 0 0 "[ . 1 . 2]" 1
191 1 16 SER HA 1 17 VAL MG2 . . 5.290 5.015 4.985 5.109 . 0 0 "[ . 1 . 2]" 1
192 1 16 SER H 1 16 SER HB3 . . 3.750 2.597 2.249 3.534 . 0 0 "[ . 1 . 2]" 1
193 1 16 SER HB3 1 17 VAL H . . 4.120 2.938 2.402 3.698 . 0 0 "[ . 1 . 2]" 1
194 1 16 SER HB3 1 55 LEU HG . . 5.280 3.392 3.136 3.830 . 0 0 "[ . 1 . 2]" 1
195 1 17 VAL HA 1 20 CYS H . . 4.590 3.286 3.234 3.310 . 0 0 "[ . 1 . 2]" 1
196 1 17 VAL HA 1 19 GLY H . . 5.050 4.621 4.512 4.668 . 0 0 "[ . 1 . 2]" 1
197 1 17 VAL HA 1 21 LEU H . . 4.440 3.998 3.978 4.042 . 0 0 "[ . 1 . 2]" 1
198 1 16 SER HA 1 17 VAL HA . . 5.310 4.802 4.791 4.827 . 0 0 "[ . 1 . 2]" 1
199 1 17 VAL HA 1 20 CYS HA . . 5.500 4.880 4.848 4.900 . 0 0 "[ . 1 . 2]" 1
200 1 17 VAL HA 1 20 CYS HB2 . . 4.300 2.072 1.976 2.420 . 0 0 "[ . 1 . 2]" 1
201 1 17 VAL HA 1 21 LEU HG . . 5.210 4.315 4.274 4.382 . 0 0 "[ . 1 . 2]" 1
202 1 17 VAL HA 1 17 VAL MG1 . . 3.360 2.417 2.368 2.446 . 0 0 "[ . 1 . 2]" 1
203 1 17 VAL HA 1 17 VAL MG2 . . 3.530 2.326 2.269 2.366 . 0 0 "[ . 1 . 2]" 1
204 1 16 SER H 1 17 VAL HB . . 5.260 4.652 4.606 4.680 . 0 0 "[ . 1 . 2]" 1
205 1 17 VAL HB 1 19 GLY H . . 5.500 5.129 5.066 5.168 . 0 0 "[ . 1 . 2]" 1
206 1 14 MET HA 1 17 VAL HB . . 3.530 2.734 2.675 2.788 . 0 0 "[ . 1 . 2]" 1
207 1 17 VAL H 1 17 VAL MG2 . . 3.150 2.307 2.228 2.372 . 0 0 "[ . 1 . 2]" 1
208 1 17 VAL MG1 1 18 ILE H . . 4.180 3.111 3.040 3.204 . 0 0 "[ . 1 . 2]" 1
209 1 17 VAL MG1 1 19 GLY H . . 5.400 4.959 4.875 5.022 . 0 0 "[ . 1 . 2]" 1
210 1 17 VAL MG1 1 21 LEU H . . 5.210 3.779 3.666 3.874 . 0 0 "[ . 1 . 2]" 1
211 1 14 MET HA 1 17 VAL MG2 . . 3.680 3.087 2.964 3.201 . 0 0 "[ . 1 . 2]" 1
212 1 17 VAL H 1 18 ILE HA . . 5.500 5.351 5.328 5.404 . 0 0 "[ . 1 . 2]" 1
213 1 18 ILE HA 1 21 LEU H . . 5.080 4.087 4.037 4.107 . 0 0 "[ . 1 . 2]" 1
214 1 18 ILE HA 1 23 LEU H . . 4.020 3.356 3.293 3.409 . 0 0 "[ . 1 . 2]" 1
215 1 18 ILE HA 1 23 LEU HB2 . . 3.190 2.932 2.738 3.072 . 0 0 "[ . 1 . 2]" 1
216 1 18 ILE HA 1 23 LEU HB3 . . 4.660 4.471 4.285 4.608 . 0 0 "[ . 1 . 2]" 1
217 1 18 ILE HA 1 18 ILE MG . . 3.000 2.386 2.355 2.431 . 0 0 "[ . 1 . 2]" 1
218 1 18 ILE HA 1 23 LEU HG . . 3.570 3.355 3.226 3.446 . 0 0 "[ . 1 . 2]" 1
219 1 18 ILE HA 1 23 LEU MD2 . . 4.500 1.894 1.882 1.905 . 0 0 "[ . 1 . 2]" 1
220 1 17 VAL HB 1 18 ILE HB . . 5.180 4.878 4.844 4.910 . 0 0 "[ . 1 . 2]" 1
221 1 18 ILE H 1 18 ILE MD . . 3.660 3.268 3.208 3.329 . 0 0 "[ . 1 . 2]" 1
222 1 18 ILE MD 1 19 GLY H . . 4.670 4.208 4.135 4.316 . 0 0 "[ . 1 . 2]" 1
223 1 18 ILE MD 1 28 LYS HA . . 4.820 4.762 4.481 4.831 0.011 18 0 "[ . 1 . 2]" 1
224 1 18 ILE HA 1 18 ILE MD . . 4.000 3.849 3.827 3.862 . 0 0 "[ . 1 . 2]" 1
225 1 14 MET HG2 1 18 ILE MD . . 5.180 4.308 4.261 4.404 . 0 0 "[ . 1 . 2]" 1
226 1 14 MET HB3 1 18 ILE MD . . 4.420 4.233 4.192 4.349 . 0 0 "[ . 1 . 2]" 1
227 1 18 ILE HB 1 18 ILE MD . . 2.900 2.156 2.125 2.192 . 0 0 "[ . 1 . 2]" 1
228 1 18 ILE MG 1 23 LEU H . . 4.010 2.290 2.204 2.339 . 0 0 "[ . 1 . 2]" 1
229 1 18 ILE MG 1 21 LEU H . . 5.500 5.078 5.039 5.097 . 0 0 "[ . 1 . 2]" 1
230 1 18 ILE MG 1 20 CYS H . . 5.020 4.713 4.663 4.742 . 0 0 "[ . 1 . 2]" 1
231 1 18 ILE MG 1 19 GLY HA2 . . 3.600 3.370 3.288 3.424 . 0 0 "[ . 1 . 2]" 1
232 1 18 ILE H 1 18 ILE HG12 . . 4.140 3.604 3.551 3.673 . 0 0 "[ . 1 . 2]" 1
233 1 18 ILE HA 1 18 ILE HG12 . . 4.040 2.710 2.666 2.757 . 0 0 "[ . 1 . 2]" 1
234 1 18 ILE HG12 1 23 LEU HG . . 4.200 3.765 3.575 3.894 . 0 0 "[ . 1 . 2]" 1
235 1 18 ILE HG13 1 23 LEU HG . . 4.890 4.581 4.441 4.690 . 0 0 "[ . 1 . 2]" 1
236 1 17 VAL HB 1 18 ILE HG13 . . 4.810 3.391 3.322 3.504 . 0 0 "[ . 1 . 2]" 1
237 1 18 ILE HA 1 18 ILE HG13 . . 3.900 2.671 2.632 2.725 . 0 0 "[ . 1 . 2]" 1
238 1 15 GLU HA 1 18 ILE HG13 . . 4.880 4.153 4.095 4.224 . 0 0 "[ . 1 . 2]" 1
239 1 15 GLU HA 1 18 ILE HG12 . . 5.490 5.099 5.052 5.175 . 0 0 "[ . 1 . 2]" 1
240 1 18 ILE HG13 1 19 GLY H . . 5.290 4.337 4.294 4.408 . 0 0 "[ . 1 . 2]" 1
241 1 18 ILE H 1 18 ILE HG13 . . 3.620 2.129 2.063 2.228 . 0 0 "[ . 1 . 2]" 1
242 1 17 VAL H 1 18 ILE HG13 . . 5.210 4.582 4.501 4.742 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLY HA2 1 20 CYS HA . . 5.030 4.802 4.789 4.807 . 0 0 "[ . 1 . 2]" 1
244 1 16 SER HA 1 19 GLY HA3 . . 4.680 4.453 4.337 4.494 . 0 0 "[ . 1 . 2]" 1
245 1 18 ILE HB 1 19 GLY HA2 . . 4.940 4.392 4.348 4.458 . 0 0 "[ . 1 . 2]" 1
246 1 18 ILE HB 1 19 GLY HA3 . . 4.860 4.350 4.308 4.411 . 0 0 "[ . 1 . 2]" 1
247 1 18 ILE MG 1 19 GLY HA3 . . 4.360 4.045 3.941 4.108 . 0 0 "[ . 1 . 2]" 1
248 1 20 CYS H 1 20 CYS HB2 . . 3.600 2.132 2.103 2.265 . 0 0 "[ . 1 . 2]" 1
249 1 20 CYS HB2 1 21 LEU H . . 3.780 2.970 2.806 3.527 . 0 0 "[ . 1 . 2]" 1
250 1 17 VAL HA 1 20 CYS HB3 . . 4.300 3.170 2.605 3.331 . 0 0 "[ . 1 . 2]" 1
251 1 20 CYS HB3 1 21 LEU H . . 3.780 2.785 2.381 2.923 . 0 0 "[ . 1 . 2]" 1
252 1 20 CYS H 1 20 CYS HB3 . . 3.600 3.284 2.830 3.413 . 0 0 "[ . 1 . 2]" 1
253 1 21 LEU HA 1 47 ASP HB3 . . 5.260 5.268 5.168 5.293 0.033 20 0 "[ . 1 . 2]" 1
254 1 21 LEU HA 1 47 ASP HB2 . . 5.500 5.525 5.506 5.543 0.043 10 0 "[ . 1 . 2]" 1
255 1 21 LEU HA 1 23 LEU MD2 . . 4.850 4.285 4.250 4.324 . 0 0 "[ . 1 . 2]" 1
256 1 21 LEU HB2 1 22 LYS H . . 5.280 4.043 4.006 4.058 . 0 0 "[ . 1 . 2]" 1
257 1 21 LEU HB2 1 23 LEU H . . 5.500 5.304 5.189 5.425 . 0 0 "[ . 1 . 2]" 1
258 1 21 LEU HB2 1 43 LEU MD2 . . 3.630 2.672 2.600 2.721 . 0 0 "[ . 1 . 2]" 1
259 1 21 LEU HB2 1 23 LEU HG . . 5.500 5.511 5.490 5.526 0.026 19 0 "[ . 1 . 2]" 1
260 1 21 LEU HB3 1 23 LEU MD2 . . 4.050 3.853 3.841 3.863 . 0 0 "[ . 1 . 2]" 1
261 1 21 LEU HB3 1 43 LEU MD2 . . 3.580 1.926 1.899 1.988 . 0 0 "[ . 1 . 2]" 1
262 1 21 LEU HB3 1 22 LYS H . . 5.170 4.569 4.555 4.580 . 0 0 "[ . 1 . 2]" 1
263 1 21 LEU HG 1 23 LEU H . . 4.730 4.551 4.457 4.655 . 0 0 "[ . 1 . 2]" 1
264 1 21 LEU HG 1 23 LEU HA . . 5.500 5.327 5.266 5.386 . 0 0 "[ . 1 . 2]" 1
265 1 21 LEU HG 1 22 LYS HA . . 5.500 5.013 4.984 5.051 . 0 0 "[ . 1 . 2]" 1
266 1 18 ILE HA 1 21 LEU HG . . 4.250 3.515 3.408 3.557 . 0 0 "[ . 1 . 2]" 1
267 1 18 ILE MG 1 21 LEU HG . . 4.980 4.986 4.914 5.019 0.039 7 0 "[ . 1 . 2]" 1
268 1 21 LEU H 1 21 LEU MD2 . . 3.980 2.288 2.136 2.313 . 0 0 "[ . 1 . 2]" 1
269 1 21 LEU MD1 1 41 PHE HD2 . . 4.330 2.779 2.452 3.063 . 0 0 "[ . 1 . 2]" 1
270 1 21 LEU MD1 1 22 LYS H . . 5.500 4.665 4.622 4.705 . 0 0 "[ . 1 . 2]" 1
271 1 21 LEU MD2 1 22 LYS H . . 5.500 4.141 4.107 4.162 . 0 0 "[ . 1 . 2]" 1
272 1 21 LEU HA 1 21 LEU MD2 . . 3.220 3.164 3.134 3.256 0.036 1 0 "[ . 1 . 2]" 1
273 1 21 LEU MD2 1 47 ASP HB3 . . 3.970 3.492 3.380 3.669 . 0 0 "[ . 1 . 2]" 1
274 1 21 LEU HB2 1 21 LEU MD1 . . 3.550 2.026 2.012 2.046 . 0 0 "[ . 1 . 2]" 1
275 1 17 VAL HA 1 21 LEU MD2 . . 5.150 2.632 2.590 2.697 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU MD1 1 23 LEU HA . . 5.100 4.518 4.456 4.612 . 0 0 "[ . 1 . 2]" 1
277 1 21 LEU MD2 1 48 PHE HA . . 5.500 4.903 4.800 4.970 . 0 0 "[ . 1 . 2]" 1
278 1 21 LEU MD1 1 37 LEU QB . . 4.570 3.188 3.118 3.269 . 0 0 "[ . 1 . 2]" 1
279 1 21 LEU H 1 22 LYS HA . . 5.210 4.389 4.381 4.399 . 0 0 "[ . 1 . 2]" 1
280 1 22 LYS HA 1 22 LYS HG2 . . 3.980 2.897 2.528 3.586 . 0 0 "[ . 1 . 2]" 1
281 1 22 LYS H 1 22 LYS HG3 . . 4.380 3.426 2.652 4.236 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS H 1 22 LYS HG2 . . 4.380 3.135 2.626 4.236 . 0 0 "[ . 1 . 2]" 1
283 1 22 LYS HA 1 22 LYS HG3 . . 3.980 3.373 2.512 3.850 . 0 0 "[ . 1 . 2]" 1
284 1 18 ILE MG 1 23 LEU HA . . 4.850 4.446 4.296 4.565 . 0 0 "[ . 1 . 2]" 1
285 1 23 LEU HA 1 23 LEU MD1 . . 3.250 1.957 1.938 2.014 . 0 0 "[ . 1 . 2]" 1
286 1 23 LEU HB2 1 23 LEU HG . . 2.940 2.463 2.459 2.472 . 0 0 "[ . 1 . 2]" 1
287 1 23 LEU HG 1 28 LYS HA . . 4.780 4.590 4.450 4.749 . 0 0 "[ . 1 . 2]" 1
288 1 23 LEU HG 1 24 ASN H . . 5.330 4.572 4.315 4.813 . 0 0 "[ . 1 . 2]" 1
289 1 23 LEU MD1 1 27 GLN HE21 . . 5.140 3.545 2.971 4.706 . 0 0 "[ . 1 . 2]" 1
290 1 23 LEU H 1 23 LEU MD2 . . 4.100 2.130 2.068 2.227 . 0 0 "[ . 1 . 2]" 1
291 1 23 LEU MD1 1 41 PHE HD1 . . 4.310 3.355 3.159 3.550 . 0 0 "[ . 1 . 2]" 1
292 1 23 LEU MD1 1 27 GLN HE22 . . 5.140 4.691 4.331 5.160 0.020 9 0 "[ . 1 . 2]" 1
293 1 23 LEU MD1 1 41 PHE HB3 . . 4.370 3.653 3.368 3.793 . 0 0 "[ . 1 . 2]" 1
294 1 23 LEU MD1 1 27 GLN HB2 . . 4.060 2.392 2.250 2.679 . 0 0 "[ . 1 . 2]" 1
295 1 21 LEU HG 1 23 LEU MD2 . . 3.070 2.003 1.985 2.068 . 0 0 "[ . 1 . 2]" 1
296 1 23 LEU HB2 1 23 LEU MD2 . . 3.450 2.214 2.202 2.220 . 0 0 "[ . 1 . 2]" 1
297 1 21 LEU HB2 1 23 LEU MD2 . . 3.670 2.656 2.631 2.676 . 0 0 "[ . 1 . 2]" 1
298 1 18 ILE HB 1 23 LEU MD2 . . 4.430 4.366 4.350 4.389 . 0 0 "[ . 1 . 2]" 1
299 1 23 LEU HB3 1 23 LEU MD1 . . 3.660 2.352 2.332 2.362 . 0 0 "[ . 1 . 2]" 1
300 1 18 ILE MG 1 23 LEU MD2 . . 3.350 2.747 2.705 2.796 . 0 0 "[ . 1 . 2]" 1
301 1 24 ASN H 1 24 ASN HB3 . . 4.180 3.508 2.573 3.779 . 0 0 "[ . 1 . 2]" 1
302 1 24 ASN HB3 1 25 ASP H . . 3.820 2.419 1.954 3.478 . 0 0 "[ . 1 . 2]" 1
303 1 24 ASN HB3 1 26 GLU H . . 5.020 3.351 2.416 4.634 . 0 0 "[ . 1 . 2]" 1
304 1 24 ASN H 1 24 ASN HB2 . . 4.180 2.776 2.273 3.626 . 0 0 "[ . 1 . 2]" 1
305 1 24 ASN HB2 1 25 ASP H . . 3.820 3.003 1.996 3.839 0.019 20 0 "[ . 1 . 2]" 1
306 1 25 ASP HA 1 29 GLN H . . 4.890 4.454 4.057 4.861 . 0 0 "[ . 1 . 2]" 1
307 1 25 ASP HA 1 28 LYS HB2 . . 3.210 2.795 2.603 3.027 . 0 0 "[ . 1 . 2]" 1
308 1 25 ASP HB2 1 26 GLU H . . 4.520 2.931 2.464 4.063 . 0 0 "[ . 1 . 2]" 1
309 1 25 ASP HB3 1 26 GLU H . . 4.520 3.782 2.495 4.087 . 0 0 "[ . 1 . 2]" 1
310 1 25 ASP HB2 1 26 GLU HA . . 5.470 4.276 3.997 5.446 . 0 0 "[ . 1 . 2]" 1
311 1 25 ASP HB3 1 26 GLU HA . . 5.470 4.813 3.881 5.573 0.103 7 0 "[ . 1 . 2]" 1
312 1 25 ASP HB2 1 28 LYS HB2 . . 5.500 5.358 4.839 5.528 0.028 20 0 "[ . 1 . 2]" 1
313 1 25 ASP HB3 1 28 LYS HB2 . . 5.500 4.894 4.471 5.482 . 0 0 "[ . 1 . 2]" 1
314 1 26 GLU HA 1 29 GLN H . . 3.750 3.368 3.254 3.617 . 0 0 "[ . 1 . 2]" 1
315 1 26 GLU HA 1 26 GLU HG2 . . 4.220 2.766 2.251 3.589 . 0 0 "[ . 1 . 2]" 1
316 1 26 GLU HA 1 26 GLU HG3 . . 4.220 3.057 2.190 3.781 . 0 0 "[ . 1 . 2]" 1
317 1 26 GLU HB2 1 27 GLN H . . 4.150 2.700 2.258 3.666 . 0 0 "[ . 1 . 2]" 1
318 1 26 GLU HB3 1 27 GLN H . . 4.150 3.192 2.270 3.649 . 0 0 "[ . 1 . 2]" 1
319 1 26 GLU H 1 26 GLU HG2 . . 4.970 3.446 2.132 4.596 . 0 0 "[ . 1 . 2]" 1
320 1 26 GLU H 1 26 GLU HG3 . . 4.970 3.219 2.112 4.419 . 0 0 "[ . 1 . 2]" 1
321 1 66 GLU H 1 66 GLU HG3 . . 4.870 3.715 3.102 4.429 . 0 0 "[ . 1 . 2]" 1
322 1 24 ASN H 1 27 GLN HA . . 5.160 4.843 4.644 5.033 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLU H 1 27 GLN HA . . 5.490 5.283 5.151 5.435 . 0 0 "[ . 1 . 2]" 1
324 1 27 GLN HA 1 29 GLN H . . 4.650 4.050 3.962 4.563 . 0 0 "[ . 1 . 2]" 1
325 1 27 GLN HA 1 30 ILE H . . 3.840 3.370 3.308 3.635 . 0 0 "[ . 1 . 2]" 1
326 1 23 LEU HG 1 27 GLN HA . . 5.500 5.513 5.488 5.556 0.056 5 0 "[ . 1 . 2]" 1
327 1 23 LEU MD1 1 27 GLN HA . . 5.000 3.981 3.919 4.055 . 0 0 "[ . 1 . 2]" 1
328 1 28 LYS HA 1 31 LEU H . . 4.140 3.924 3.655 4.094 . 0 0 "[ . 1 . 2]" 1
329 1 28 LYS HA 1 28 LYS HG2 . . 3.830 2.644 2.264 2.854 . 0 0 "[ . 1 . 2]" 1
330 1 28 LYS HA 1 31 LEU HB2 . . 4.030 2.598 2.261 2.795 . 0 0 "[ . 1 . 2]" 1
331 1 28 LYS HA 1 28 LYS HG3 . . 3.830 2.844 2.601 3.253 . 0 0 "[ . 1 . 2]" 1
332 1 18 ILE MD 1 28 LYS HB3 . . 4.480 4.442 4.365 4.499 0.019 5 0 "[ . 1 . 2]" 1
333 1 28 LYS H 1 28 LYS HG2 . . 4.400 3.765 3.431 3.990 . 0 0 "[ . 1 . 2]" 1
334 1 23 LEU HG 1 28 LYS HG2 . . 4.990 4.512 3.911 4.921 . 0 0 "[ . 1 . 2]" 1
335 1 23 LEU HG 1 28 LYS HG3 . . 4.990 4.176 3.767 4.703 . 0 0 "[ . 1 . 2]" 1
336 1 23 LEU MD1 1 27 GLN HB3 . . 4.060 1.977 1.912 2.053 . 0 0 "[ . 1 . 2]" 1
337 1 23 LEU HG 1 27 GLN HB3 . . 4.420 3.228 2.944 3.413 . 0 0 "[ . 1 . 2]" 1
338 1 27 GLN HB3 1 41 PHE HE1 . . 4.610 2.542 2.137 3.309 . 0 0 "[ . 1 . 2]" 1
339 1 24 ASN H 1 27 GLN HB3 . . 4.360 3.528 3.247 3.851 . 0 0 "[ . 1 . 2]" 1
340 1 23 LEU HG 1 27 GLN HB2 . . 4.420 3.707 3.445 4.211 . 0 0 "[ . 1 . 2]" 1
341 1 27 GLN H 1 27 GLN HB2 . . 3.890 2.516 2.195 2.694 . 0 0 "[ . 1 . 2]" 1
342 1 28 LYS H 1 29 GLN HA . . 5.410 5.133 5.099 5.181 . 0 0 "[ . 1 . 2]" 1
343 1 28 LYS HB2 1 29 GLN HA . . 4.990 4.544 4.334 4.730 . 0 0 "[ . 1 . 2]" 1
344 1 28 LYS HB3 1 29 GLN HA . . 5.330 4.448 4.222 4.577 . 0 0 "[ . 1 . 2]" 1
345 1 29 GLN HG2 1 30 ILE H . . 5.420 4.732 3.439 5.236 . 0 0 "[ . 1 . 2]" 1
346 1 29 GLN HA 1 29 GLN HG2 . . 3.950 2.535 2.178 3.933 . 0 0 "[ . 1 . 2]" 1
347 1 28 LYS HB2 1 29 GLN HG2 . . 5.320 4.195 3.296 5.129 . 0 0 "[ . 1 . 2]" 1
348 1 29 GLN HG3 1 30 ILE MG . . 5.440 4.954 2.111 5.296 . 0 0 "[ . 1 . 2]" 1
349 1 28 LYS HB2 1 29 GLN HG3 . . 5.320 4.442 3.629 5.325 0.005 5 0 "[ . 1 . 2]" 1
350 1 29 GLN HA 1 29 GLN HG3 . . 3.950 3.416 2.846 3.774 . 0 0 "[ . 1 . 2]" 1
351 1 29 GLN HG3 1 30 ILE H . . 5.420 4.761 2.309 5.170 . 0 0 "[ . 1 . 2]" 1
352 1 29 GLN HB2 1 30 ILE MG . . 4.620 3.185 2.951 3.721 . 0 0 "[ . 1 . 2]" 1
353 1 29 GLN HB3 1 30 ILE MG . . 4.620 3.538 3.222 4.511 . 0 0 "[ . 1 . 2]" 1
354 1 30 ILE HA 1 30 ILE HB . . 3.010 2.440 2.409 2.449 . 0 0 "[ . 1 . 2]" 1
355 1 30 ILE H 1 30 ILE HB . . 3.800 3.706 3.614 3.759 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLN HA 1 30 ILE HB . . 5.170 4.742 4.681 4.860 . 0 0 "[ . 1 . 2]" 1
357 1 30 ILE H 1 30 ILE HG13 . . 3.610 1.983 1.942 2.187 . 0 0 "[ . 1 . 2]" 1
358 1 30 ILE H 1 30 ILE HG12 . . 3.610 3.165 3.088 3.287 . 0 0 "[ . 1 . 2]" 1
359 1 27 GLN HA 1 30 ILE HG13 . . 4.190 2.069 2.006 2.301 . 0 0 "[ . 1 . 2]" 1
360 1 27 GLN HA 1 30 ILE HG12 . . 4.190 2.476 2.105 2.662 . 0 0 "[ . 1 . 2]" 1
361 1 29 GLN H 1 30 ILE MG . . 4.680 3.975 3.754 4.204 . 0 0 "[ . 1 . 2]" 1
362 1 30 ILE H 1 30 ILE MG . . 3.290 2.561 2.051 2.765 . 0 0 "[ . 1 . 2]" 1
363 1 30 ILE HA 1 30 ILE MG . . 2.960 2.372 2.250 2.426 . 0 0 "[ . 1 . 2]" 1
364 1 26 GLU HA 1 30 ILE MG . . 4.540 3.718 3.527 4.030 . 0 0 "[ . 1 . 2]" 1
365 1 27 GLN HA 1 30 ILE MG . . 4.860 3.895 3.515 4.085 . 0 0 "[ . 1 . 2]" 1
366 1 29 GLN HG2 1 30 ILE MG . . 5.440 5.267 3.445 5.461 0.021 7 0 "[ . 1 . 2]" 1
367 1 30 ILE MD 1 41 PHE HD1 . . 4.600 3.935 3.711 4.152 . 0 0 "[ . 1 . 2]" 1
368 1 30 ILE HA 1 30 ILE MD . . 4.500 3.764 3.734 3.788 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLN HA 1 30 ILE MD . . 3.850 2.646 2.568 2.860 . 0 0 "[ . 1 . 2]" 1
370 1 30 ILE HB 1 30 ILE MD . . 3.130 2.044 2.014 2.072 . 0 0 "[ . 1 . 2]" 1
371 1 31 LEU HA 1 32 SER H . . 3.090 2.317 2.261 2.357 . 0 0 "[ . 1 . 2]" 1
372 1 31 LEU HA 1 41 PHE HZ . . 4.090 3.545 3.276 3.711 . 0 0 "[ . 1 . 2]" 1
373 1 30 ILE MD 1 31 LEU HA . . 3.790 3.224 2.446 3.427 . 0 0 "[ . 1 . 2]" 1
374 1 31 LEU HA 1 35 THR MG . . 4.160 3.575 3.309 3.805 . 0 0 "[ . 1 . 2]" 1
375 1 31 LEU HB2 1 32 SER H . . 5.140 4.124 3.962 4.228 . 0 0 "[ . 1 . 2]" 1
376 1 23 LEU HG 1 31 LEU HB2 . . 5.320 5.258 5.093 5.334 0.014 10 0 "[ . 1 . 2]" 1
377 1 30 ILE MD 1 31 LEU HB2 . . 4.170 4.125 3.266 4.180 0.010 5 0 "[ . 1 . 2]" 1
378 1 31 LEU HB3 1 32 SER H . . 5.280 3.305 3.183 3.511 . 0 0 "[ . 1 . 2]" 1
379 1 31 LEU H 1 31 LEU HB3 . . 3.470 2.939 2.634 3.038 . 0 0 "[ . 1 . 2]" 1
380 1 31 LEU H 1 31 LEU HG . . 4.710 4.339 4.241 4.557 . 0 0 "[ . 1 . 2]" 1
381 1 31 LEU HG 1 41 PHE HZ . . 5.200 2.629 2.021 4.562 . 0 0 "[ . 1 . 2]" 1
382 1 28 LYS HA 1 31 LEU HG . . 5.350 4.815 4.390 5.347 . 0 0 "[ . 1 . 2]" 1
383 1 31 LEU MD1 1 41 PHE HE2 . . 3.810 2.339 1.898 2.833 . 0 0 "[ . 1 . 2]" 1
384 1 31 LEU MD2 1 41 PHE HE2 . . 3.810 3.390 2.986 3.809 . 0 0 "[ . 1 . 2]" 1
385 1 32 SER HB3 1 33 GLY H . . 5.360 4.019 3.967 4.208 . 0 0 "[ . 1 . 2]" 1
386 1 32 SER HB3 1 34 THR H . . 4.730 3.824 3.488 4.032 . 0 0 "[ . 1 . 2]" 1
387 1 31 LEU HB3 1 32 SER HB3 . . 5.500 5.488 5.389 5.517 0.017 18 0 "[ . 1 . 2]" 1
388 1 32 SER HB3 1 34 THR MG . . 5.500 5.421 5.265 5.498 . 0 0 "[ . 1 . 2]" 1
389 1 32 SER HB3 1 35 THR MG . . 5.500 3.827 3.739 3.930 . 0 0 "[ . 1 . 2]" 1
390 1 32 SER HB2 1 35 THR MG . . 5.500 5.282 5.205 5.355 . 0 0 "[ . 1 . 2]" 1
391 1 32 SER HB2 1 34 THR MG . . 5.500 5.431 5.310 5.504 0.004 4 0 "[ . 1 . 2]" 1
392 1 31 LEU HB3 1 32 SER HB2 . . 5.500 5.507 5.492 5.516 0.016 18 0 "[ . 1 . 2]" 1
393 1 32 SER HB2 1 34 THR H . . 4.730 4.127 3.885 4.258 . 0 0 "[ . 1 . 2]" 1
394 1 32 SER HB2 1 33 GLY H . . 5.360 3.499 3.396 3.677 . 0 0 "[ . 1 . 2]" 1
395 1 33 GLY HA3 1 75 ASP H . . 4.300 3.697 3.169 3.955 . 0 0 "[ . 1 . 2]" 1
396 1 33 GLY HA3 1 74 VAL H . . 5.500 5.435 5.029 5.519 0.019 5 0 "[ . 1 . 2]" 1
397 1 33 GLY HA3 1 75 ASP HB2 . . 3.460 3.059 2.109 3.465 0.005 3 0 "[ . 1 . 2]" 1
398 1 33 GLY HA3 1 34 THR MG . . 4.250 3.596 3.465 3.670 . 0 0 "[ . 1 . 2]" 1
399 1 33 GLY HA3 1 74 VAL MG1 . . 4.220 3.944 3.498 4.225 0.005 11 0 "[ . 1 . 2]" 1
400 1 33 GLY HA2 1 74 VAL MG1 . . 3.550 2.878 2.475 3.241 . 0 0 "[ . 1 . 2]" 1
401 1 33 GLY HA2 1 74 VAL MG2 . . 4.170 3.085 2.881 3.546 . 0 0 "[ . 1 . 2]" 1
402 1 33 GLY HA2 1 75 ASP HA . . 4.720 4.497 3.903 4.730 0.010 8 0 "[ . 1 . 2]" 1
403 1 33 GLY HA3 1 75 ASP HA . . 4.750 4.359 3.975 4.582 . 0 0 "[ . 1 . 2]" 1
404 1 32 SER HA 1 33 GLY HA2 . . 4.470 4.305 4.303 4.313 . 0 0 "[ . 1 . 2]" 1
405 1 33 GLY HA2 1 74 VAL H . . 5.110 4.142 3.448 4.327 . 0 0 "[ . 1 . 2]" 1
406 1 34 THR HA 1 75 ASP HB3 . . 4.790 3.852 3.402 4.311 . 0 0 "[ . 1 . 2]" 1
407 1 34 THR HA 1 75 ASP HB2 . . 5.110 3.773 3.431 4.565 . 0 0 "[ . 1 . 2]" 1
408 1 34 THR HA 1 34 THR MG . . 2.980 2.388 2.302 2.437 . 0 0 "[ . 1 . 2]" 1
409 1 34 THR HA 1 73 THR MG . . 3.640 3.161 2.272 3.543 . 0 0 "[ . 1 . 2]" 1
410 1 32 SER H 1 35 THR HB . . 4.210 2.624 2.453 2.964 . 0 0 "[ . 1 . 2]" 1
411 1 35 THR HB 1 36 ASN H . . 4.750 4.356 4.132 4.417 . 0 0 "[ . 1 . 2]" 1
412 1 31 LEU HG 1 35 THR HB . . 5.290 4.214 3.835 4.471 . 0 0 "[ . 1 . 2]" 1
413 1 34 THR HB 1 73 THR MG . . 5.070 4.189 3.742 4.552 . 0 0 "[ . 1 . 2]" 1
414 1 34 THR H 1 34 THR MG . . 3.390 2.455 2.296 2.731 . 0 0 "[ . 1 . 2]" 1
415 1 35 THR HA 1 36 ASN H . . 2.910 2.159 2.143 2.171 . 0 0 "[ . 1 . 2]" 1
416 1 32 SER H 1 35 THR HA . . 5.500 5.460 5.289 5.512 0.012 20 0 "[ . 1 . 2]" 1
417 1 35 THR HA 1 37 LEU H . . 5.500 5.498 5.455 5.523 0.023 18 0 "[ . 1 . 2]" 1
418 1 34 THR HA 1 35 THR HA . . 5.260 4.436 4.423 4.452 . 0 0 "[ . 1 . 2]" 1
419 1 35 THR HA 1 40 ASP HB2 . . 4.920 4.486 4.235 4.929 0.009 16 0 "[ . 1 . 2]" 1
420 1 35 THR HA 1 73 THR MG . . 4.330 3.643 3.379 3.919 . 0 0 "[ . 1 . 2]" 1
421 1 35 THR HA 1 35 THR MG . . 3.220 2.320 2.102 2.376 . 0 0 "[ . 1 . 2]" 1
422 1 36 ASN HA 1 38 ALA H . . 4.650 3.313 3.293 3.338 . 0 0 "[ . 1 . 2]" 1
423 1 36 ASN HA 1 37 LEU H . . 3.090 2.167 2.162 2.175 . 0 0 "[ . 1 . 2]" 1
424 1 36 ASN HA 1 73 THR HA . . 3.590 2.287 1.997 2.920 . 0 0 "[ . 1 . 2]" 1
425 1 35 THR HA 1 36 ASN HA . . 4.490 4.426 4.360 4.445 . 0 0 "[ . 1 . 2]" 1
426 1 35 THR MG 1 36 ASN HA . . 5.260 4.375 4.089 4.718 . 0 0 "[ . 1 . 2]" 1
427 1 36 ASN HA 1 37 LEU QB . . 5.500 4.517 4.425 4.547 . 0 0 "[ . 1 . 2]" 1
428 1 36 ASN HA 1 38 ALA MB . . 5.500 4.398 4.320 4.537 . 0 0 "[ . 1 . 2]" 1
429 1 36 ASN H 1 36 ASN HB2 . . 3.620 2.306 2.210 2.382 . 0 0 "[ . 1 . 2]" 1
430 1 35 THR HA 1 36 ASN HB2 . . 5.090 4.422 4.335 4.525 . 0 0 "[ . 1 . 2]" 1
431 1 36 ASN HB2 1 40 ASP HB2 . . 4.930 4.921 4.821 4.953 0.023 19 0 "[ . 1 . 2]" 1
432 1 36 ASN HB2 1 39 LYS HB2 . . 4.400 4.153 3.601 4.381 . 0 0 "[ . 1 . 2]" 1
433 1 36 ASN HB2 1 38 ALA MB . . 5.180 4.923 4.839 5.089 . 0 0 "[ . 1 . 2]" 1
434 1 36 ASN HB2 1 73 THR MG . . 4.360 2.623 2.257 3.281 . 0 0 "[ . 1 . 2]" 1
435 1 35 THR MG 1 36 ASN HB2 . . 5.170 4.721 4.454 4.878 . 0 0 "[ . 1 . 2]" 1
436 1 35 THR MG 1 36 ASN HB3 . . 5.170 4.262 4.082 4.519 . 0 0 "[ . 1 . 2]" 1
437 1 36 ASN HB3 1 38 ALA MB . . 5.180 4.329 4.136 4.494 . 0 0 "[ . 1 . 2]" 1
438 1 36 ASN HB3 1 40 ASP HB2 . . 4.930 3.618 3.511 3.754 . 0 0 "[ . 1 . 2]" 1
439 1 36 ASN HB3 1 39 LYS HB2 . . 4.400 3.000 2.371 3.239 . 0 0 "[ . 1 . 2]" 1
440 1 36 ASN HB3 1 39 LYS HB3 . . 4.450 2.731 2.473 3.026 . 0 0 "[ . 1 . 2]" 1
441 1 35 THR HA 1 36 ASN HB3 . . 5.090 4.806 4.692 4.916 . 0 0 "[ . 1 . 2]" 1
442 1 36 ASN H 1 36 ASN HB3 . . 3.620 2.785 2.690 2.908 . 0 0 "[ . 1 . 2]" 1
443 1 36 ASN HB3 1 40 ASP H . . 5.000 2.703 2.556 2.840 . 0 0 "[ . 1 . 2]" 1
444 1 37 LEU HA 1 40 ASP H . . 5.420 4.062 3.902 4.192 . 0 0 "[ . 1 . 2]" 1
445 1 37 LEU HA 1 41 PHE HD2 . . 3.800 2.480 2.227 2.666 . 0 0 "[ . 1 . 2]" 1
446 1 37 LEU HA 1 41 PHE HB2 . . 5.040 3.476 3.325 3.716 . 0 0 "[ . 1 . 2]" 1
447 1 37 LEU QB 1 38 ALA H . . 3.400 3.146 3.094 3.183 . 0 0 "[ . 1 . 2]" 1
448 1 37 LEU H 1 37 LEU QB . . 3.240 2.584 2.470 2.624 . 0 0 "[ . 1 . 2]" 1
449 1 37 LEU QB 1 41 PHE HD2 . . 4.080 2.152 2.019 2.269 . 0 0 "[ . 1 . 2]" 1
450 1 37 LEU H 1 37 LEU HG . . 4.570 2.180 1.937 3.840 . 0 0 "[ . 1 . 2]" 1
451 1 37 LEU HG 1 41 PHE HD2 . . 4.560 4.424 3.803 4.615 0.055 18 0 "[ . 1 . 2]" 1
452 1 37 LEU HG 1 73 THR HA . . 5.210 3.998 3.741 4.838 . 0 0 "[ . 1 . 2]" 1
453 1 37 LEU HG 1 74 VAL HA . . 5.260 4.496 4.112 5.282 0.022 7 0 "[ . 1 . 2]" 1
454 1 38 ALA HA 1 43 LEU H . . 3.450 2.724 2.564 2.857 . 0 0 "[ . 1 . 2]" 1
455 1 38 ALA HA 1 43 LEU HG . . 3.530 3.281 2.950 3.530 . 0 0 "[ . 1 . 2]" 1
456 1 38 ALA HA 1 43 LEU HB2 . . 3.120 2.021 1.993 2.178 . 0 0 "[ . 1 . 2]" 1
457 1 37 LEU QB 1 38 ALA HA . . 5.040 4.001 3.971 4.022 . 0 0 "[ . 1 . 2]" 1
458 1 38 ALA HA 1 41 PHE HB2 . . 4.980 4.399 4.221 4.525 . 0 0 "[ . 1 . 2]" 1
459 1 38 ALA HA 1 42 ASN HA . . 4.840 4.567 4.543 4.588 . 0 0 "[ . 1 . 2]" 1
460 1 38 ALA HA 1 43 LEU HA . . 5.250 4.691 4.596 4.782 . 0 0 "[ . 1 . 2]" 1
461 1 38 ALA HA 1 41 PHE H . . 5.120 4.719 4.614 4.795 . 0 0 "[ . 1 . 2]" 1
462 1 37 LEU H 1 38 ALA MB . . 4.350 4.134 4.108 4.195 . 0 0 "[ . 1 . 2]" 1
463 1 39 LYS H 1 39 LYS HB2 . . 3.930 2.337 2.151 2.414 . 0 0 "[ . 1 . 2]" 1
464 1 39 LYS HB2 1 40 ASP HB2 . . 5.500 5.388 5.022 5.499 . 0 0 "[ . 1 . 2]" 1
465 1 38 ALA MB 1 39 LYS HB2 . . 3.650 3.595 3.506 3.666 0.016 16 0 "[ . 1 . 2]" 1
466 1 39 LYS HB3 1 40 ASP HB2 . . 5.270 4.088 4.023 4.260 . 0 0 "[ . 1 . 2]" 1
467 1 36 ASN HB2 1 39 LYS HB3 . . 4.450 4.188 3.937 4.398 . 0 0 "[ . 1 . 2]" 1
468 1 38 ALA MB 1 39 LYS HA . . 3.840 3.775 3.755 3.826 . 0 0 "[ . 1 . 2]" 1
469 1 39 LYS HG2 1 40 ASP H . . 5.500 4.371 4.112 4.806 . 0 0 "[ . 1 . 2]" 1
470 1 39 LYS H 1 39 LYS HG2 . . 4.890 4.632 4.548 4.692 . 0 0 "[ . 1 . 2]" 1
471 1 39 LYS H 1 39 LYS HG3 . . 4.890 4.325 3.888 4.532 . 0 0 "[ . 1 . 2]" 1
472 1 39 LYS HG3 1 40 ASP H . . 5.500 4.665 4.153 4.960 . 0 0 "[ . 1 . 2]" 1
473 1 39 LYS HA 1 39 LYS HD2 . . 5.440 4.087 2.699 4.528 . 0 0 "[ . 1 . 2]" 1
474 1 39 LYS HA 1 39 LYS HD3 . . 5.440 3.905 2.099 4.732 . 0 0 "[ . 1 . 2]" 1
475 1 36 ASN HD22 1 39 LYS HE2 . . 5.500 4.510 3.153 5.466 . 0 0 "[ . 1 . 2]" 1
476 1 36 ASN HD22 1 39 LYS HE3 . . 5.500 4.656 3.547 5.501 0.001 4 0 "[ . 1 . 2]" 1
477 1 36 ASN HD21 1 39 LYS HE2 . . 5.500 4.051 2.420 5.343 . 0 0 "[ . 1 . 2]" 1
478 1 36 ASN HD21 1 39 LYS HE3 . . 5.500 3.968 2.581 5.104 . 0 0 "[ . 1 . 2]" 1
479 1 40 ASP HA 1 42 ASN H . . 5.010 3.924 3.904 3.997 . 0 0 "[ . 1 . 2]" 1
480 1 39 LYS HB2 1 40 ASP HA . . 5.500 5.391 5.115 5.467 . 0 0 "[ . 1 . 2]" 1
481 1 35 THR MG 1 40 ASP HA . . 4.580 4.280 4.123 4.558 . 0 0 "[ . 1 . 2]" 1
482 1 40 ASP HB3 1 41 PHE H . . 3.970 2.059 2.014 2.102 . 0 0 "[ . 1 . 2]" 1
483 1 39 LYS H 1 40 ASP HB2 . . 5.140 4.525 4.456 4.680 . 0 0 "[ . 1 . 2]" 1
484 1 39 LYS H 1 40 ASP HB3 . . 5.500 4.850 4.736 4.937 . 0 0 "[ . 1 . 2]" 1
485 1 40 ASP H 1 40 ASP HB2 . . 3.490 2.260 2.203 2.341 . 0 0 "[ . 1 . 2]" 1
486 1 35 THR MG 1 40 ASP HB2 . . 3.360 2.352 2.193 2.563 . 0 0 "[ . 1 . 2]" 1
487 1 35 THR MG 1 40 ASP HB3 . . 3.870 2.812 2.665 3.181 . 0 0 "[ . 1 . 2]" 1
488 1 41 PHE HA 1 43 LEU HG . . 5.270 5.031 4.909 5.275 0.005 8 0 "[ . 1 . 2]" 1
489 1 41 PHE HB2 1 42 ASN H . . 4.980 3.499 3.400 3.517 . 0 0 "[ . 1 . 2]" 1
490 1 41 PHE H 1 41 PHE HB2 . . 3.770 2.422 2.392 2.494 . 0 0 "[ . 1 . 2]" 1
491 1 41 PHE HB2 1 43 LEU HB2 . . 5.160 4.452 4.315 4.844 . 0 0 "[ . 1 . 2]" 1
492 1 23 LEU MD1 1 41 PHE HB2 . . 5.500 4.496 4.205 4.683 . 0 0 "[ . 1 . 2]" 1
493 1 23 LEU MD2 1 41 PHE HB2 . . 5.500 5.270 5.072 5.395 . 0 0 "[ . 1 . 2]" 1
494 1 23 LEU MD2 1 41 PHE HB3 . . 5.500 4.741 4.564 4.940 . 0 0 "[ . 1 . 2]" 1
495 1 41 PHE HB3 1 43 LEU HG . . 3.860 3.224 3.077 3.519 . 0 0 "[ . 1 . 2]" 1
496 1 21 LEU HB2 1 41 PHE HB3 . . 5.500 4.617 4.373 4.782 . 0 0 "[ . 1 . 2]" 1
497 1 37 LEU HA 1 41 PHE HB3 . . 5.190 5.037 4.895 5.196 0.006 11 0 "[ . 1 . 2]" 1
498 1 41 PHE H 1 41 PHE HB3 . . 3.830 3.602 3.594 3.616 . 0 0 "[ . 1 . 2]" 1
499 1 41 PHE HB3 1 42 ASN H . . 4.680 4.226 4.199 4.280 . 0 0 "[ . 1 . 2]" 1
500 1 41 PHE HB3 1 43 LEU H . . 5.500 4.184 3.969 4.729 . 0 0 "[ . 1 . 2]" 1
501 1 41 PHE HB2 1 43 LEU H . . 5.500 3.342 3.092 3.929 . 0 0 "[ . 1 . 2]" 1
502 1 42 ASN HA 1 43 LEU H . . 3.200 2.746 2.523 2.836 . 0 0 "[ . 1 . 2]" 1
503 1 41 PHE H 1 42 ASN HA . . 4.740 4.718 4.709 4.723 . 0 0 "[ . 1 . 2]" 1
504 1 41 PHE HA 1 42 ASN HA . . 5.270 5.166 5.160 5.180 . 0 0 "[ . 1 . 2]" 1
505 1 42 ASN HA 1 43 LEU HB2 . . 4.890 4.770 4.700 4.827 . 0 0 "[ . 1 . 2]" 1
506 1 42 ASN HA 1 43 LEU HG . . 5.230 5.176 4.991 5.241 0.011 14 0 "[ . 1 . 2]" 1
507 1 42 ASN HB2 1 43 LEU H . . 4.930 4.462 4.275 4.621 . 0 0 "[ . 1 . 2]" 1
508 1 41 PHE HA 1 42 ASN HB3 . . 5.500 5.156 4.446 5.604 0.104 16 0 "[ . 1 . 2]" 1
509 1 41 PHE HA 1 42 ASN HB2 . . 5.500 4.149 3.987 4.549 . 0 0 "[ . 1 . 2]" 1
510 1 42 ASN HB3 1 43 LEU H . . 4.930 4.291 4.196 4.351 . 0 0 "[ . 1 . 2]" 1
511 1 43 LEU HA 1 44 ASP H . . 3.020 2.278 2.210 2.331 . 0 0 "[ . 1 . 2]" 1
512 1 43 LEU HA 1 47 ASP HB2 . . 4.440 4.143 4.047 4.256 . 0 0 "[ . 1 . 2]" 1
513 1 43 LEU HA 1 43 LEU MD2 . . 3.100 1.971 1.952 2.065 . 0 0 "[ . 1 . 2]" 1
514 1 43 LEU H 1 43 LEU HB3 . . 3.860 3.561 3.542 3.577 . 0 0 "[ . 1 . 2]" 1
515 1 38 ALA HA 1 43 LEU HB3 . . 3.990 3.734 3.703 3.892 . 0 0 "[ . 1 . 2]" 1
516 1 43 LEU HB2 1 47 ASP HB3 . . 4.640 4.456 4.422 4.495 . 0 0 "[ . 1 . 2]" 1
517 1 38 ALA MB 1 43 LEU HB3 . . 4.680 4.466 4.295 4.603 . 0 0 "[ . 1 . 2]" 1
518 1 38 ALA MB 1 43 LEU HB2 . . 4.240 3.241 3.030 3.400 . 0 0 "[ . 1 . 2]" 1
519 1 43 LEU HG 1 44 ASP H . . 4.930 4.801 4.739 4.893 . 0 0 "[ . 1 . 2]" 1
520 1 43 LEU H 1 43 LEU HG . . 3.800 2.522 2.382 2.751 . 0 0 "[ . 1 . 2]" 1
521 1 41 PHE HD2 1 43 LEU HG . . 4.170 3.654 3.359 4.028 . 0 0 "[ . 1 . 2]" 1
522 1 43 LEU HA 1 43 LEU HG . . 3.870 2.936 2.905 2.994 . 0 0 "[ . 1 . 2]" 1
523 1 41 PHE HB2 1 43 LEU HG . . 3.810 2.355 2.183 2.687 . 0 0 "[ . 1 . 2]" 1
524 1 43 LEU HB2 1 43 LEU HG . . 2.870 2.470 2.441 2.508 . 0 0 "[ . 1 . 2]" 1
525 1 43 LEU MD2 1 44 ASP H . . 4.250 2.835 2.707 2.965 . 0 0 "[ . 1 . 2]" 1
526 1 43 LEU H 1 43 LEU MD1 . . 4.530 3.667 3.558 3.770 . 0 0 "[ . 1 . 2]" 1
527 1 43 LEU H 1 43 LEU MD2 . . 4.870 3.608 3.475 3.745 . 0 0 "[ . 1 . 2]" 1
528 1 41 PHE HD2 1 43 LEU MD1 . . 4.220 3.303 2.939 3.710 . 0 0 "[ . 1 . 2]" 1
529 1 43 LEU MD1 1 48 PHE HA . . 4.190 3.734 3.642 3.842 . 0 0 "[ . 1 . 2]" 1
530 1 41 PHE HB3 1 43 LEU MD2 . . 4.070 3.094 2.932 3.283 . 0 0 "[ . 1 . 2]" 1
531 1 41 PHE HB2 1 43 LEU MD1 . . 4.070 3.421 3.220 3.650 . 0 0 "[ . 1 . 2]" 1
532 1 41 PHE HB2 1 43 LEU MD2 . . 4.480 3.304 3.045 3.461 . 0 0 "[ . 1 . 2]" 1
533 1 43 LEU MD2 1 47 ASP HB3 . . 3.930 2.682 2.590 2.840 . 0 0 "[ . 1 . 2]" 1
534 1 43 LEU HB2 1 43 LEU MD1 . . 3.540 2.207 2.143 2.243 . 0 0 "[ . 1 . 2]" 1
535 1 44 ASP H 1 44 ASP HB2 . . 3.710 2.365 2.178 2.570 . 0 0 "[ . 1 . 2]" 1
536 1 44 ASP HB2 1 46 LEU H . . 4.790 4.093 3.819 4.226 . 0 0 "[ . 1 . 2]" 1
537 1 44 ASP HB2 1 47 ASP H . . 4.920 3.910 3.436 4.258 . 0 0 "[ . 1 . 2]" 1
538 1 43 LEU HB3 1 44 ASP HB2 . . 5.500 5.080 4.789 5.350 . 0 0 "[ . 1 . 2]" 1
539 1 43 LEU HB3 1 44 ASP HB3 . . 5.500 5.234 4.950 5.505 0.005 11 0 "[ . 1 . 2]" 1
540 1 44 ASP HB3 1 47 ASP H . . 4.920 2.653 2.491 2.940 . 0 0 "[ . 1 . 2]" 1
541 1 44 ASP HB3 1 46 LEU H . . 4.790 2.501 2.210 2.792 . 0 0 "[ . 1 . 2]" 1
542 1 44 ASP H 1 44 ASP HB3 . . 3.710 2.939 2.655 3.304 . 0 0 "[ . 1 . 2]" 1
543 1 46 LEU HA 1 49 VAL H . . 3.930 3.703 3.578 3.934 0.004 3 0 "[ . 1 . 2]" 1
544 1 46 LEU HA 1 49 VAL HB . . 3.500 3.146 3.024 3.348 . 0 0 "[ . 1 . 2]" 1
545 1 46 LEU HG 1 47 ASP H . . 5.360 4.527 4.015 5.164 . 0 0 "[ . 1 . 2]" 1
546 1 46 LEU HA 1 46 LEU HG . . 4.120 3.109 2.392 3.701 . 0 0 "[ . 1 . 2]" 1
547 1 46 LEU H 1 46 LEU MD1 . . 4.480 3.458 2.233 4.015 . 0 0 "[ . 1 . 2]" 1
548 1 46 LEU MD1 1 47 ASP H . . 5.420 4.302 4.019 4.720 . 0 0 "[ . 1 . 2]" 1
549 1 46 LEU HA 1 46 LEU MD1 . . 4.020 3.344 2.047 3.966 . 0 0 "[ . 1 . 2]" 1
550 1 46 LEU H 1 46 LEU MD2 . . 4.480 3.257 2.084 4.075 . 0 0 "[ . 1 . 2]" 1
551 1 46 LEU MD2 1 47 ASP H . . 5.420 4.529 4.061 4.849 . 0 0 "[ . 1 . 2]" 1
552 1 46 LEU HA 1 46 LEU MD2 . . 4.020 2.471 2.038 3.801 . 0 0 "[ . 1 . 2]" 1
553 1 46 LEU HB2 1 47 ASP HA . . 5.500 4.368 4.073 4.723 . 0 0 "[ . 1 . 2]" 1
554 1 43 LEU HB3 1 47 ASP HA . . 5.500 5.520 5.491 5.532 0.032 10 0 "[ . 1 . 2]" 1
555 1 46 LEU HB3 1 47 ASP HA . . 5.500 4.260 4.002 4.517 . 0 0 "[ . 1 . 2]" 1
556 1 43 LEU MD2 1 47 ASP HA . . 5.120 4.823 4.729 5.028 . 0 0 "[ . 1 . 2]" 1
557 1 47 ASP HA 1 51 LEU HG . . 5.500 4.865 4.510 5.048 . 0 0 "[ . 1 . 2]" 1
558 1 44 ASP H 1 47 ASP HB2 . . 4.050 2.553 2.436 2.670 . 0 0 "[ . 1 . 2]" 1
559 1 47 ASP H 1 47 ASP HB2 . . 3.600 2.073 2.065 2.111 . 0 0 "[ . 1 . 2]" 1
560 1 46 LEU H 1 47 ASP HB2 . . 5.480 4.384 4.365 4.403 . 0 0 "[ . 1 . 2]" 1
561 1 43 LEU HB3 1 47 ASP HB2 . . 3.810 3.355 3.298 3.450 . 0 0 "[ . 1 . 2]" 1
562 1 43 LEU MD2 1 47 ASP HB2 . . 3.850 3.137 3.020 3.335 . 0 0 "[ . 1 . 2]" 1
563 1 43 LEU HB3 1 47 ASP HB3 . . 3.960 2.775 2.727 2.809 . 0 0 "[ . 1 . 2]" 1
564 1 47 ASP HB3 1 48 PHE HA . . 5.270 3.778 3.768 3.796 . 0 0 "[ . 1 . 2]" 1
565 1 46 LEU HA 1 47 ASP HB2 . . 5.500 5.574 5.549 5.582 0.082 16 0 "[ . 1 . 2]" 1
566 1 47 ASP H 1 47 ASP HB3 . . 3.810 3.248 3.190 3.291 . 0 0 "[ . 1 . 2]" 1
567 1 44 ASP H 1 47 ASP HB3 . . 4.330 3.534 3.332 3.758 . 0 0 "[ . 1 . 2]" 1
568 1 48 PHE HA 1 51 LEU H . . 3.800 3.425 3.375 3.473 . 0 0 "[ . 1 . 2]" 1
569 1 47 ASP HA 1 48 PHE HA . . 4.910 4.846 4.835 4.853 . 0 0 "[ . 1 . 2]" 1
570 1 48 PHE HA 1 51 LEU HB2 . . 3.530 2.299 2.254 2.348 . 0 0 "[ . 1 . 2]" 1
571 1 48 PHE HA 1 51 LEU HB3 . . 4.010 3.721 3.678 3.774 . 0 0 "[ . 1 . 2]" 1
572 1 48 PHE HA 1 52 ILE MG . . 5.030 4.064 4.001 4.139 . 0 0 "[ . 1 . 2]" 1
573 1 48 PHE H 1 48 PHE HB3 . . 3.600 2.845 2.826 2.863 . 0 0 "[ . 1 . 2]" 1
574 1 48 PHE HB3 1 49 VAL H . . 3.940 2.477 2.378 2.606 . 0 0 "[ . 1 . 2]" 1
575 1 48 PHE HB3 1 49 VAL HB . . 5.390 4.910 4.815 5.018 . 0 0 "[ . 1 . 2]" 1
576 1 48 PHE HB3 1 51 LEU HB2 . . 5.370 4.916 4.854 4.962 . 0 0 "[ . 1 . 2]" 1
577 1 38 ALA MB 1 48 PHE HB3 . . 5.500 5.499 5.457 5.521 0.021 20 0 "[ . 1 . 2]" 1
578 1 43 LEU MD1 1 48 PHE HB3 . . 5.500 5.505 5.459 5.528 0.028 15 0 "[ . 1 . 2]" 1
579 1 48 PHE HB2 1 49 VAL MG2 . . 5.180 4.570 4.528 4.629 . 0 0 "[ . 1 . 2]" 1
580 1 38 ALA MB 1 48 PHE HB2 . . 5.210 4.303 4.275 4.347 . 0 0 "[ . 1 . 2]" 1
581 1 43 LEU HB2 1 48 PHE HB2 . . 5.490 4.365 4.201 4.434 . 0 0 "[ . 1 . 2]" 1
582 1 43 LEU HB3 1 48 PHE HB2 . . 5.500 3.855 3.782 3.884 . 0 0 "[ . 1 . 2]" 1
583 1 43 LEU HB3 1 48 PHE HB3 . . 5.500 5.504 5.433 5.525 0.025 7 0 "[ . 1 . 2]" 1
584 1 48 PHE HB2 1 51 LEU HB2 . . 5.400 4.873 4.831 4.913 . 0 0 "[ . 1 . 2]" 1
585 1 48 PHE HB2 1 49 VAL H . . 4.190 3.617 3.563 3.678 . 0 0 "[ . 1 . 2]" 1
586 1 48 PHE H 1 48 PHE HB2 . . 3.470 2.258 2.247 2.272 . 0 0 "[ . 1 . 2]" 1
587 1 46 LEU H 1 48 PHE HB2 . . 5.500 5.497 5.465 5.518 0.018 10 0 "[ . 1 . 2]" 1
588 1 46 LEU H 1 48 PHE HB3 . . 5.500 5.493 5.440 5.514 0.014 17 0 "[ . 1 . 2]" 1
589 1 49 VAL HA 1 52 ILE H . . 3.990 3.799 3.760 3.840 . 0 0 "[ . 1 . 2]" 1
590 1 48 PHE HD2 1 49 VAL HA . . 5.240 3.680 3.500 3.851 . 0 0 "[ . 1 . 2]" 1
591 1 49 VAL HA 1 50 ASP HA . . 5.030 4.775 4.766 4.789 . 0 0 "[ . 1 . 2]" 1
592 1 49 VAL HA 1 52 ILE MG . . 4.390 3.933 3.867 4.043 . 0 0 "[ . 1 . 2]" 1
593 1 49 VAL HB 1 50 ASP H . . 3.560 2.355 2.297 2.394 . 0 0 "[ . 1 . 2]" 1
594 1 47 ASP HA 1 49 VAL HB . . 5.120 5.046 4.929 5.133 0.013 10 0 "[ . 1 . 2]" 1
595 1 49 VAL H 1 49 VAL MG2 . . 2.930 2.155 2.077 2.223 . 0 0 "[ . 1 . 2]" 1
596 1 48 PHE H 1 49 VAL MG2 . . 4.810 4.356 4.277 4.455 . 0 0 "[ . 1 . 2]" 1
597 1 46 LEU H 1 49 VAL MG2 . . 4.950 4.507 4.391 4.624 . 0 0 "[ . 1 . 2]" 1
598 1 48 PHE HD2 1 49 VAL MG2 . . 4.610 3.679 3.601 3.789 . 0 0 "[ . 1 . 2]" 1
599 1 46 LEU HA 1 49 VAL MG2 . . 3.340 2.732 2.444 3.029 . 0 0 "[ . 1 . 2]" 1
600 1 49 VAL HA 1 49 VAL MG2 . . 2.970 2.363 2.329 2.400 . 0 0 "[ . 1 . 2]" 1
601 1 48 PHE HB3 1 49 VAL MG2 . . 4.580 3.125 3.067 3.177 . 0 0 "[ . 1 . 2]" 1
602 1 49 VAL MG1 1 50 ASP H . . 3.400 3.156 3.078 3.207 . 0 0 "[ . 1 . 2]" 1
603 1 49 VAL MG1 1 53 MET H . . 4.530 4.094 3.941 4.173 . 0 0 "[ . 1 . 2]" 1
604 1 49 VAL MG1 1 50 ASP HA . . 3.940 3.311 3.214 3.389 . 0 0 "[ . 1 . 2]" 1
605 1 46 LEU HA 1 49 VAL MG1 . . 4.640 4.356 4.261 4.534 . 0 0 "[ . 1 . 2]" 1
606 1 49 VAL HA 1 49 VAL MG1 . . 3.150 2.355 2.331 2.400 . 0 0 "[ . 1 . 2]" 1
607 1 49 VAL MG1 1 53 MET HG2 . . 4.060 3.617 3.349 3.754 . 0 0 "[ . 1 . 2]" 1
608 1 49 VAL MG1 1 53 MET HG3 . . 4.060 2.349 2.051 2.475 . 0 0 "[ . 1 . 2]" 1
609 1 51 LEU HB3 1 52 ILE H . . 4.560 2.784 2.749 2.824 . 0 0 "[ . 1 . 2]" 1
610 1 51 LEU HB3 1 52 ILE MG . . 3.690 3.484 3.451 3.532 . 0 0 "[ . 1 . 2]" 1
611 1 51 LEU HB2 1 52 ILE MD . . 5.240 5.091 5.029 5.141 . 0 0 "[ . 1 . 2]" 1
612 1 51 LEU HB3 1 52 ILE MD . . 5.500 5.527 5.515 5.540 0.040 1 0 "[ . 1 . 2]" 1
613 1 51 LEU HG 1 52 ILE H . . 5.010 4.739 4.696 4.763 . 0 0 "[ . 1 . 2]" 1
614 1 48 PHE HA 1 51 LEU HG . . 4.300 4.086 3.644 4.297 . 0 0 "[ . 1 . 2]" 1
615 1 52 ILE HA 1 56 GLU H . . 5.030 3.898 3.856 3.925 . 0 0 "[ . 1 . 2]" 1
616 1 52 ILE HA 1 55 LEU H . . 4.030 3.788 3.730 3.818 . 0 0 "[ . 1 . 2]" 1
617 1 51 LEU H 1 52 ILE HA . . 5.440 5.348 5.332 5.363 . 0 0 "[ . 1 . 2]" 1
618 1 51 LEU HA 1 52 ILE HA . . 5.320 4.773 4.755 4.788 . 0 0 "[ . 1 . 2]" 1
619 1 52 ILE HA 1 53 MET HA . . 5.500 4.761 4.755 4.767 . 0 0 "[ . 1 . 2]" 1
620 1 52 ILE HA 1 52 ILE HG12 . . 4.030 3.661 3.655 3.672 . 0 0 "[ . 1 . 2]" 1
621 1 52 ILE HA 1 52 ILE HG13 . . 4.030 3.766 3.757 3.773 . 0 0 "[ . 1 . 2]" 1
622 1 52 ILE HA 1 52 ILE MG . . 2.990 2.269 2.213 2.283 . 0 0 "[ . 1 . 2]" 1
623 1 52 ILE HB 1 53 MET HA . . 5.070 4.366 4.352 4.401 . 0 0 "[ . 1 . 2]" 1
624 1 52 ILE H 1 52 ILE HG13 . . 3.890 3.208 3.180 3.231 . 0 0 "[ . 1 . 2]" 1
625 1 48 PHE HD2 1 52 ILE HG13 . . 5.500 5.343 5.081 5.485 . 0 0 "[ . 1 . 2]" 1
626 1 49 VAL HA 1 52 ILE HG13 . . 4.210 3.268 3.183 3.423 . 0 0 "[ . 1 . 2]" 1
627 1 52 ILE HG13 1 52 ILE MG . . 3.750 3.200 3.197 3.201 . 0 0 "[ . 1 . 2]" 1
628 1 52 ILE HG12 1 52 ILE MG . . 3.750 2.425 2.366 2.440 . 0 0 "[ . 1 . 2]" 1
629 1 49 VAL HA 1 52 ILE HG12 . . 4.210 2.330 2.265 2.451 . 0 0 "[ . 1 . 2]" 1
630 1 52 ILE H 1 52 ILE HG12 . . 3.890 1.939 1.922 1.958 . 0 0 "[ . 1 . 2]" 1
631 1 48 PHE HD2 1 52 ILE HG12 . . 5.500 4.013 3.753 4.176 . 0 0 "[ . 1 . 2]" 1
632 1 52 ILE MG 1 56 GLU H . . 5.500 5.450 5.421 5.465 . 0 0 "[ . 1 . 2]" 1
633 1 51 LEU HA 1 52 ILE MG . . 5.200 5.076 5.045 5.104 . 0 0 "[ . 1 . 2]" 1
634 1 52 ILE H 1 52 ILE MD . . 3.990 3.491 3.477 3.511 . 0 0 "[ . 1 . 2]" 1
635 1 52 ILE MD 1 68 ALA H . . 5.500 5.456 5.278 5.509 0.009 15 0 "[ . 1 . 2]" 1
636 1 51 LEU H 1 52 ILE MD . . 5.380 5.029 4.974 5.090 . 0 0 "[ . 1 . 2]" 1
637 1 48 PHE HE2 1 52 ILE MD . . 4.530 3.121 2.968 3.293 . 0 0 "[ . 1 . 2]" 1
638 1 49 VAL HA 1 52 ILE MD . . 3.040 2.281 2.173 2.445 . 0 0 "[ . 1 . 2]" 1
639 1 52 ILE HB 1 52 ILE MD . . 3.480 2.433 2.405 2.459 . 0 0 "[ . 1 . 2]" 1
640 1 52 ILE MD 1 68 ALA MB . . 3.250 3.112 2.910 3.226 . 0 0 "[ . 1 . 2]" 1
641 1 52 ILE MD 1 52 ILE MG . . 2.680 2.015 1.976 2.087 . 0 0 "[ . 1 . 2]" 1
642 1 53 MET HA 1 56 GLU H . . 4.090 3.554 3.530 3.646 . 0 0 "[ . 1 . 2]" 1
643 1 53 MET HA 1 57 GLU H . . 4.620 3.900 3.830 3.956 . 0 0 "[ . 1 . 2]" 1
644 1 53 MET HA 1 53 MET HG2 . . 3.670 2.250 2.240 2.263 . 0 0 "[ . 1 . 2]" 1
645 1 53 MET HA 1 53 MET HG3 . . 3.670 3.438 3.433 3.450 . 0 0 "[ . 1 . 2]" 1
646 1 53 MET HA 1 56 GLU HB2 . . 3.490 3.246 3.187 3.336 . 0 0 "[ . 1 . 2]" 1
647 1 52 ILE MG 1 53 MET HG2 . . 5.500 5.502 5.476 5.514 0.014 3 0 "[ . 1 . 2]" 1
648 1 52 ILE MG 1 53 MET HG3 . . 5.500 5.507 5.470 5.524 0.024 6 0 "[ . 1 . 2]" 1
649 1 53 MET H 1 53 MET HG3 . . 4.140 2.867 2.823 2.895 . 0 0 "[ . 1 . 2]" 1
650 1 53 MET H 1 53 MET ME . . 4.760 4.553 4.535 4.580 . 0 0 "[ . 1 . 2]" 1
651 1 53 MET ME 1 57 GLU H . . 4.770 4.582 4.527 4.692 . 0 0 "[ . 1 . 2]" 1
652 1 53 MET HA 1 53 MET ME . . 3.410 2.658 2.629 2.689 . 0 0 "[ . 1 . 2]" 1
653 1 55 LEU HA 1 59 PHE H . . 4.570 3.810 3.742 3.863 . 0 0 "[ . 1 . 2]" 1
654 1 55 LEU HA 1 59 PHE HE1 . . 4.360 4.290 4.091 4.366 0.006 20 0 "[ . 1 . 2]" 1
655 1 55 LEU HA 1 55 LEU MD2 . . 3.060 1.982 1.966 2.024 . 0 0 "[ . 1 . 2]" 1
656 1 55 LEU HA 1 81 ILE MG . . 5.500 5.487 5.391 5.516 0.016 1 0 "[ . 1 . 2]" 1
657 1 55 LEU HB2 1 56 GLU H . . 4.310 2.875 2.814 2.901 . 0 0 "[ . 1 . 2]" 1
658 1 52 ILE HA 1 55 LEU HB2 . . 4.380 3.124 2.968 3.195 . 0 0 "[ . 1 . 2]" 1
659 1 55 LEU HB2 1 81 ILE MD . . 5.230 3.610 3.543 3.684 . 0 0 "[ . 1 . 2]" 1
660 1 52 ILE HA 1 55 LEU HB3 . . 4.750 4.504 4.336 4.577 . 0 0 "[ . 1 . 2]" 1
661 1 55 LEU HB3 1 56 GLU H . . 4.440 3.331 3.220 3.368 . 0 0 "[ . 1 . 2]" 1
662 1 16 SER HB2 1 55 LEU HG . . 5.280 3.833 3.258 4.042 . 0 0 "[ . 1 . 2]" 1
663 1 52 ILE HA 1 55 LEU HG . . 5.470 5.187 5.044 5.283 . 0 0 "[ . 1 . 2]" 1
664 1 55 LEU MD2 1 59 PHE HE1 . . 3.230 2.329 2.223 2.392 . 0 0 "[ . 1 . 2]" 1
665 1 55 LEU H 1 55 LEU MD2 . . 4.600 3.967 3.945 3.993 . 0 0 "[ . 1 . 2]" 1
666 1 55 LEU H 1 55 LEU MD1 . . 4.760 3.683 3.652 3.706 . 0 0 "[ . 1 . 2]" 1
667 1 16 SER HB2 1 55 LEU MD2 . . 4.190 3.751 3.206 4.201 0.011 8 0 "[ . 1 . 2]" 1
668 1 55 LEU MD2 1 81 ILE MD . . 4.010 2.299 2.155 2.464 . 0 0 "[ . 1 . 2]" 1
669 1 55 LEU MD2 1 58 ARG HD2 . . 5.500 4.715 4.339 5.072 . 0 0 "[ . 1 . 2]" 1
670 1 55 LEU MD2 1 58 ARG HD3 . . 5.500 4.681 4.003 5.405 . 0 0 "[ . 1 . 2]" 1
671 1 13 VAL HA 1 55 LEU MD2 . . 3.910 1.970 1.964 1.989 . 0 0 "[ . 1 . 2]" 1
672 1 13 VAL HA 1 55 LEU MD1 . . 4.250 2.299 2.247 2.381 . 0 0 "[ . 1 . 2]" 1
673 1 16 SER HB3 1 55 LEU MD2 . . 4.190 3.495 3.273 4.167 . 0 0 "[ . 1 . 2]" 1
674 1 56 GLU HA 1 61 LEU H . . 3.380 3.097 3.047 3.275 . 0 0 "[ . 1 . 2]" 1
675 1 56 GLU HA 1 56 GLU HG2 . . 4.170 2.884 2.325 2.939 . 0 0 "[ . 1 . 2]" 1
676 1 56 GLU HA 1 56 GLU HG3 . . 4.170 2.802 2.708 3.483 . 0 0 "[ . 1 . 2]" 1
677 1 56 GLU HA 1 61 LEU HB3 . . 3.800 2.515 2.324 2.542 . 0 0 "[ . 1 . 2]" 1
678 1 56 GLU HA 1 61 LEU HG . . 4.610 4.453 4.424 4.487 . 0 0 "[ . 1 . 2]" 1
679 1 54 SER H 1 56 GLU HB2 . . 5.500 5.536 5.526 5.555 0.055 2 0 "[ . 1 . 2]" 1
680 1 56 GLU HB2 1 57 GLU HA . . 5.500 5.593 5.577 5.595 0.095 9 0 "[ . 1 . 2]" 1
681 1 56 GLU HB2 1 63 ILE HB . . 5.490 3.425 3.172 3.545 . 0 0 "[ . 1 . 2]" 1
682 1 52 ILE MG 1 56 GLU HB2 . . 5.500 5.271 5.231 5.312 . 0 0 "[ . 1 . 2]" 1
683 1 56 GLU HB2 1 61 LEU HG . . 5.500 5.516 5.503 5.563 0.063 6 0 "[ . 1 . 2]" 1
684 1 56 GLU HB3 1 61 LEU HB3 . . 5.400 5.360 4.958 5.397 . 0 0 "[ . 1 . 2]" 1
685 1 56 GLU HB3 1 57 GLU HA . . 5.030 4.302 4.180 4.326 . 0 0 "[ . 1 . 2]" 1
686 1 53 MET HA 1 56 GLU HB3 . . 4.060 2.467 2.416 2.734 . 0 0 "[ . 1 . 2]" 1
687 1 54 SER H 1 56 GLU HB3 . . 5.260 4.917 4.872 5.145 . 0 0 "[ . 1 . 2]" 1
688 1 56 GLU H 1 56 GLU HG2 . . 5.270 4.428 4.360 4.451 . 0 0 "[ . 1 . 2]" 1
689 1 56 GLU H 1 56 GLU HG3 . . 5.270 4.481 4.448 4.527 . 0 0 "[ . 1 . 2]" 1
690 1 53 MET HA 1 56 GLU HG2 . . 5.500 4.849 4.771 5.451 . 0 0 "[ . 1 . 2]" 1
691 1 53 MET HA 1 56 GLU HG3 . . 5.500 4.922 4.475 5.081 . 0 0 "[ . 1 . 2]" 1
692 1 57 GLU HG2 1 58 ARG H . . 4.700 2.662 2.570 2.799 . 0 0 "[ . 1 . 2]" 1
693 1 57 GLU H 1 57 GLU HG2 . . 4.050 2.240 2.168 2.300 . 0 0 "[ . 1 . 2]" 1
694 1 57 GLU HA 1 57 GLU HG2 . . 3.840 3.803 3.787 3.816 . 0 0 "[ . 1 . 2]" 1
695 1 54 SER HA 1 57 GLU HG2 . . 4.940 2.405 2.249 2.455 . 0 0 "[ . 1 . 2]" 1
696 1 57 GLU HA 1 57 GLU HG3 . . 3.840 3.687 3.673 3.708 . 0 0 "[ . 1 . 2]" 1
697 1 54 SER HA 1 57 GLU HG3 . . 4.940 3.664 3.526 3.796 . 0 0 "[ . 1 . 2]" 1
698 1 57 GLU H 1 57 GLU HG3 . . 4.050 3.352 3.281 3.451 . 0 0 "[ . 1 . 2]" 1
699 1 57 GLU HG3 1 58 ARG H . . 4.700 2.541 2.470 2.875 . 0 0 "[ . 1 . 2]" 1
700 1 57 GLU H 1 58 ARG HA . . 5.380 5.105 5.077 5.118 . 0 0 "[ . 1 . 2]" 1
701 1 58 ARG HA 1 60 SER H . . 5.100 3.971 3.850 4.019 . 0 0 "[ . 1 . 2]" 1
702 1 58 ARG HA 1 59 PHE HD1 . . 5.190 5.085 4.915 5.192 0.002 18 0 "[ . 1 . 2]" 1
703 1 58 ARG HA 1 58 ARG HG3 . . 3.480 2.732 2.669 2.920 . 0 0 "[ . 1 . 2]" 1
704 1 58 ARG HB2 1 59 PHE H . . 4.260 3.696 3.660 3.733 . 0 0 "[ . 1 . 2]" 1
705 1 57 GLU H 1 58 ARG HB2 . . 5.450 4.805 4.778 4.826 . 0 0 "[ . 1 . 2]" 1
706 1 55 LEU HA 1 58 ARG HB2 . . 4.120 2.856 2.810 2.911 . 0 0 "[ . 1 . 2]" 1
707 1 55 LEU HG 1 58 ARG HB2 . . 5.140 5.073 5.018 5.117 . 0 0 "[ . 1 . 2]" 1
708 1 55 LEU MD2 1 58 ARG HB2 . . 4.850 3.784 3.710 3.896 . 0 0 "[ . 1 . 2]" 1
709 1 55 LEU MD2 1 58 ARG HB3 . . 4.850 2.863 2.778 2.950 . 0 0 "[ . 1 . 2]" 1
710 1 55 LEU HG 1 58 ARG HB3 . . 5.140 4.733 4.680 4.760 . 0 0 "[ . 1 . 2]" 1
711 1 55 LEU HA 1 58 ARG HB3 . . 4.120 2.251 2.215 2.272 . 0 0 "[ . 1 . 2]" 1
712 1 57 GLU H 1 58 ARG HB3 . . 5.450 4.756 4.729 4.768 . 0 0 "[ . 1 . 2]" 1
713 1 58 ARG HB3 1 59 PHE H . . 4.260 2.252 2.191 2.306 . 0 0 "[ . 1 . 2]" 1
714 1 58 ARG H 1 58 ARG HB3 . . 3.510 2.526 2.484 2.540 . 0 0 "[ . 1 . 2]" 1
715 1 58 ARG HD2 1 59 PHE HD1 . . 5.500 5.408 5.262 5.510 0.010 6 0 "[ . 1 . 2]" 1
716 1 58 ARG HD3 1 59 PHE HD1 . . 5.500 5.332 5.049 5.513 0.013 10 0 "[ . 1 . 2]" 1
717 1 59 PHE HA 1 59 PHE HD2 . . 3.370 3.093 3.019 3.185 . 0 0 "[ . 1 . 2]" 1
718 1 58 ARG HG3 1 59 PHE HA . . 4.410 3.793 3.683 3.867 . 0 0 "[ . 1 . 2]" 1
719 1 59 PHE H 1 59 PHE HB2 . . 3.950 2.395 2.366 2.431 . 0 0 "[ . 1 . 2]" 1
720 1 59 PHE HB2 1 61 LEU HB2 . . 5.100 3.027 2.882 3.073 . 0 0 "[ . 1 . 2]" 1
721 1 55 LEU MD2 1 59 PHE HB2 . . 5.400 4.321 4.250 4.387 . 0 0 "[ . 1 . 2]" 1
722 1 59 PHE HB2 1 81 ILE HG12 . . 5.500 5.141 4.948 5.270 . 0 0 "[ . 1 . 2]" 1
723 1 9 ILE MD 1 59 PHE HB2 . . 4.780 4.796 4.787 4.805 0.025 8 0 "[ . 1 . 2]" 1
724 1 59 PHE HB3 1 81 ILE MG . . 4.510 3.582 3.481 3.669 . 0 0 "[ . 1 . 2]" 1
725 1 9 ILE MD 1 59 PHE HB3 . . 4.390 4.266 4.211 4.311 . 0 0 "[ . 1 . 2]" 1
726 1 55 LEU MD2 1 59 PHE HB3 . . 5.500 5.478 5.415 5.526 0.026 6 0 "[ . 1 . 2]" 1
727 1 59 PHE HB3 1 61 LEU HB2 . . 5.240 3.424 3.376 3.480 . 0 0 "[ . 1 . 2]" 1
728 1 59 PHE HB3 1 59 PHE HE2 . . 5.090 4.651 4.637 4.663 . 0 0 "[ . 1 . 2]" 1
729 1 60 SER HA 1 61 LEU H . . 3.300 2.929 2.917 2.967 . 0 0 "[ . 1 . 2]" 1
730 1 60 SER H 1 60 SER HB2 . . 3.990 3.361 2.967 3.875 . 0 0 "[ . 1 . 2]" 1
731 1 60 SER H 1 60 SER HB3 . . 3.990 3.751 2.971 3.946 . 0 0 "[ . 1 . 2]" 1
732 1 61 LEU HB3 1 62 GLU H . . 3.970 3.764 3.439 3.811 . 0 0 "[ . 1 . 2]" 1
733 1 61 LEU HB3 1 80 TYR HE1 . . 5.500 4.664 4.450 4.752 . 0 0 "[ . 1 . 2]" 1
734 1 59 PHE HB2 1 61 LEU HB3 . . 5.420 3.651 3.609 3.840 . 0 0 "[ . 1 . 2]" 1
735 1 59 PHE HB3 1 61 LEU HB3 . . 5.350 4.666 4.599 4.874 . 0 0 "[ . 1 . 2]" 1
736 1 61 LEU HB3 1 63 ILE HG12 . . 4.810 4.165 3.971 4.365 . 0 0 "[ . 1 . 2]" 1
737 1 56 GLU HA 1 61 LEU HB2 . . 4.080 4.062 3.683 4.102 0.022 14 0 "[ . 1 . 2]" 1
738 1 61 LEU HB2 1 80 TYR HE1 . . 5.500 5.199 5.144 5.341 . 0 0 "[ . 1 . 2]" 1
739 1 61 LEU HB2 1 62 GLU H . . 3.940 3.862 3.839 3.867 . 0 0 "[ . 1 . 2]" 1
740 1 61 LEU HG 1 62 GLU H . . 4.550 2.304 1.994 2.351 . 0 0 "[ . 1 . 2]" 1
741 1 61 LEU HG 1 80 TYR HD1 . . 5.150 4.884 4.731 5.075 . 0 0 "[ . 1 . 2]" 1
742 1 56 GLU HG2 1 62 GLU HA . . 5.210 4.121 3.300 4.221 . 0 0 "[ . 1 . 2]" 1
743 1 56 GLU HG3 1 62 GLU HA . . 5.210 3.402 3.330 3.644 . 0 0 "[ . 1 . 2]" 1
744 1 61 LEU HB3 1 62 GLU HA . . 5.500 4.881 4.612 4.933 . 0 0 "[ . 1 . 2]" 1
745 1 61 LEU HG 1 62 GLU HA . . 4.730 3.972 3.951 4.081 . 0 0 "[ . 1 . 2]" 1
746 1 62 GLU HA 1 62 GLU HG2 . . 4.020 3.134 2.348 3.887 . 0 0 "[ . 1 . 2]" 1
747 1 62 GLU H 1 62 GLU HG2 . . 4.620 3.910 2.468 4.612 . 0 0 "[ . 1 . 2]" 1
748 1 62 GLU H 1 62 GLU HG3 . . 4.620 3.540 2.171 4.570 . 0 0 "[ . 1 . 2]" 1
749 1 62 GLU HA 1 62 GLU HG3 . . 4.020 2.887 2.252 3.806 . 0 0 "[ . 1 . 2]" 1
750 1 63 ILE HA 1 64 SER H . . 3.080 2.199 2.166 2.226 . 0 0 "[ . 1 . 2]" 1
751 1 62 GLU HA 1 63 ILE HB . . 4.930 4.825 4.775 4.877 . 0 0 "[ . 1 . 2]" 1
752 1 52 ILE HB 1 63 ILE HB . . 4.490 4.029 3.917 4.259 . 0 0 "[ . 1 . 2]" 1
753 1 63 ILE HB 1 63 ILE MD . . 3.160 2.287 2.232 2.350 . 0 0 "[ . 1 . 2]" 1
754 1 63 ILE HG12 1 80 TYR HD1 . . 5.090 3.850 3.691 3.982 . 0 0 "[ . 1 . 2]" 1
755 1 63 ILE HA 1 63 ILE HG12 . . 3.890 2.632 2.614 2.650 . 0 0 "[ . 1 . 2]" 1
756 1 63 ILE HA 1 63 ILE HG13 . . 3.900 3.049 2.921 3.174 . 0 0 "[ . 1 . 2]" 1
757 1 62 GLU HA 1 63 ILE HG13 . . 4.840 3.979 3.932 4.041 . 0 0 "[ . 1 . 2]" 1
758 1 63 ILE HG13 1 64 SER H . . 5.450 5.008 4.915 5.118 . 0 0 "[ . 1 . 2]" 1
759 1 62 GLU HA 1 63 ILE HG12 . . 5.500 5.281 5.087 5.478 . 0 0 "[ . 1 . 2]" 1
760 1 63 ILE MG 1 64 SER H . . 3.350 2.223 1.966 2.538 . 0 0 "[ . 1 . 2]" 1
761 1 63 ILE MG 1 80 TYR HE1 . . 3.920 3.473 3.136 3.717 . 0 0 "[ . 1 . 2]" 1
762 1 63 ILE MG 1 80 TYR HD1 . . 5.060 4.593 4.314 4.854 . 0 0 "[ . 1 . 2]" 1
763 1 63 ILE MG 1 69 GLN H . . 5.490 5.236 4.975 5.502 0.012 15 0 "[ . 1 . 2]" 1
764 1 63 ILE MG 1 67 ASP H . . 4.680 4.205 4.045 4.357 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE HA 1 63 ILE MG . . 3.120 2.286 2.229 2.377 . 0 0 "[ . 1 . 2]" 1
766 1 63 ILE MG 1 67 ASP HB2 . . 3.450 2.242 2.019 2.658 . 0 0 "[ . 1 . 2]" 1
767 1 63 ILE MG 1 67 ASP HB3 . . 3.630 2.942 2.751 3.115 . 0 0 "[ . 1 . 2]" 1
768 1 52 ILE HB 1 63 ILE MG . . 4.290 3.307 3.143 3.433 . 0 0 "[ . 1 . 2]" 1
769 1 63 ILE MG 1 68 ALA MB . . 3.020 2.747 2.333 3.017 . 0 0 "[ . 1 . 2]" 1
770 1 63 ILE HG12 1 63 ILE MG . . 3.200 2.347 2.269 2.406 . 0 0 "[ . 1 . 2]" 1
771 1 63 ILE MD 1 80 TYR HD1 . . 4.540 3.880 3.652 4.226 . 0 0 "[ . 1 . 2]" 1
772 1 56 GLU H 1 63 ILE MD . . 4.280 3.369 3.109 3.513 . 0 0 "[ . 1 . 2]" 1
773 1 52 ILE H 1 63 ILE MD . . 5.500 5.432 5.379 5.501 0.001 11 0 "[ . 1 . 2]" 1
774 1 63 ILE HA 1 63 ILE MD . . 4.180 3.876 3.861 3.883 . 0 0 "[ . 1 . 2]" 1
775 1 56 GLU HA 1 63 ILE MD . . 4.580 2.683 2.486 2.830 . 0 0 "[ . 1 . 2]" 1
776 1 52 ILE HA 1 63 ILE MD . . 4.160 3.328 3.265 3.387 . 0 0 "[ . 1 . 2]" 1
777 1 55 LEU HB2 1 63 ILE MD . . 3.860 3.869 3.859 3.897 0.037 6 0 "[ . 1 . 2]" 1
778 1 61 LEU HB3 1 63 ILE MD . . 3.210 3.196 3.095 3.222 0.012 6 0 "[ . 1 . 2]" 1
779 1 63 ILE MG 1 64 SER HA . . 5.230 3.810 3.648 3.909 . 0 0 "[ . 1 . 2]" 1
780 1 64 SER HB2 1 65 ASP H . . 3.890 2.884 2.148 3.451 . 0 0 "[ . 1 . 2]" 1
781 1 64 SER H 1 64 SER HB2 . . 3.920 2.864 2.658 3.441 . 0 0 "[ . 1 . 2]" 1
782 1 64 SER HB2 1 67 ASP H . . 4.980 2.486 2.323 2.975 . 0 0 "[ . 1 . 2]" 1
783 1 64 SER HB2 1 65 ASP HB2 . . 5.500 5.084 4.518 5.465 . 0 0 "[ . 1 . 2]" 1
784 1 64 SER HB2 1 65 ASP HB3 . . 5.500 4.988 4.103 5.500 0.000 15 0 "[ . 1 . 2]" 1
785 1 64 SER HB3 1 65 ASP HB2 . . 5.500 4.544 4.037 5.393 . 0 0 "[ . 1 . 2]" 1
786 1 64 SER HB3 1 65 ASP HB3 . . 5.500 4.820 4.322 5.479 . 0 0 "[ . 1 . 2]" 1
787 1 64 SER HB3 1 67 ASP H . . 4.980 4.011 3.763 4.530 . 0 0 "[ . 1 . 2]" 1
788 1 64 SER H 1 64 SER HB3 . . 3.920 3.726 3.488 3.762 . 0 0 "[ . 1 . 2]" 1
789 1 64 SER HB3 1 65 ASP H . . 3.890 2.380 1.994 3.041 . 0 0 "[ . 1 . 2]" 1
790 1 65 ASP HB2 1 66 GLU H . . 4.400 3.614 2.822 3.915 . 0 0 "[ . 1 . 2]" 1
791 1 65 ASP HB3 1 66 GLU H . . 4.400 2.747 2.426 3.221 . 0 0 "[ . 1 . 2]" 1
792 1 66 GLU HA 1 69 GLN H . . 4.160 3.281 3.194 3.468 . 0 0 "[ . 1 . 2]" 1
793 1 66 GLU HB3 1 67 ASP H . . 4.000 3.284 2.629 3.900 . 0 0 "[ . 1 . 2]" 1
794 1 66 GLU H 1 66 GLU HB3 . . 3.540 3.322 2.648 3.489 . 0 0 "[ . 1 . 2]" 1
795 1 66 GLU HB2 1 67 ASP H . . 4.000 3.135 2.840 3.671 . 0 0 "[ . 1 . 2]" 1
796 1 66 GLU HB2 1 68 ALA H . . 5.500 5.472 5.343 5.519 0.019 14 0 "[ . 1 . 2]" 1
797 1 66 GLU HB3 1 68 ALA H . . 5.500 5.409 4.985 5.632 0.132 15 0 "[ . 1 . 2]" 1
798 1 67 ASP HA 1 70 LYS H . . 4.320 4.012 3.869 4.103 . 0 0 "[ . 1 . 2]" 1
799 1 67 ASP HA 1 68 ALA MB . . 5.050 5.021 5.008 5.034 . 0 0 "[ . 1 . 2]" 1
800 1 63 ILE MG 1 67 ASP HA . . 4.850 4.687 4.555 4.799 . 0 0 "[ . 1 . 2]" 1
801 1 64 SER H 1 67 ASP HB3 . . 3.940 3.301 3.138 3.516 . 0 0 "[ . 1 . 2]" 1
802 1 67 ASP HB3 1 68 ALA H . . 4.280 3.601 3.358 3.767 . 0 0 "[ . 1 . 2]" 1
803 1 67 ASP H 1 67 ASP HB3 . . 3.750 3.588 3.556 3.599 . 0 0 "[ . 1 . 2]" 1
804 1 67 ASP HB3 1 68 ALA HA . . 5.370 4.419 4.240 4.526 . 0 0 "[ . 1 . 2]" 1
805 1 67 ASP HB3 1 68 ALA MB . . 4.930 4.681 4.462 4.824 . 0 0 "[ . 1 . 2]" 1
806 1 67 ASP HB3 1 71 LEU HG . . 4.990 4.296 4.031 4.488 . 0 0 "[ . 1 . 2]" 1
807 1 67 ASP HB2 1 68 ALA MB . . 4.690 3.840 3.705 4.207 . 0 0 "[ . 1 . 2]" 1
808 1 63 ILE HB 1 67 ASP HB2 . . 5.230 4.972 4.797 5.182 . 0 0 "[ . 1 . 2]" 1
809 1 67 ASP HB2 1 80 TYR HE2 . . 4.770 4.620 4.398 4.773 0.003 5 0 "[ . 1 . 2]" 1
810 1 64 SER H 1 67 ASP HB2 . . 3.610 2.023 1.945 2.237 . 0 0 "[ . 1 . 2]" 1
811 1 63 ILE HA 1 67 ASP HB2 . . 3.770 3.430 3.222 3.564 . 0 0 "[ . 1 . 2]" 1
812 1 68 ALA HA 1 70 LYS H . . 4.330 3.542 3.517 3.576 . 0 0 "[ . 1 . 2]" 1
813 1 67 ASP HA 1 68 ALA HA . . 4.800 4.745 4.723 4.762 . 0 0 "[ . 1 . 2]" 1
814 1 67 ASP HB2 1 68 ALA HA . . 5.380 4.314 4.188 4.608 . 0 0 "[ . 1 . 2]" 1
815 1 68 ALA HA 1 71 LEU HB2 . . 4.010 2.150 1.992 2.345 . 0 0 "[ . 1 . 2]" 1
816 1 63 ILE MG 1 68 ALA HA . . 3.770 3.680 3.449 3.773 0.003 1 0 "[ . 1 . 2]" 1
817 1 68 ALA HA 1 71 LEU HG . . 3.180 2.930 2.777 2.998 . 0 0 "[ . 1 . 2]" 1
818 1 68 ALA H 1 68 ALA MB . . 3.050 2.138 2.036 2.246 . 0 0 "[ . 1 . 2]" 1
819 1 68 ALA MB 1 70 LYS H . . 4.320 4.301 4.280 4.338 0.018 8 0 "[ . 1 . 2]" 1
820 1 68 ALA MB 1 69 GLN H . . 3.550 2.956 2.906 3.006 . 0 0 "[ . 1 . 2]" 1
821 1 68 ALA H 1 69 GLN HA . . 5.450 5.085 5.064 5.107 . 0 0 "[ . 1 . 2]" 1
822 1 68 ALA MB 1 69 GLN HA . . 4.470 3.839 3.791 3.897 . 0 0 "[ . 1 . 2]" 1
823 1 69 GLN HB2 1 70 LYS H . . 4.410 3.590 3.376 3.728 . 0 0 "[ . 1 . 2]" 1
824 1 69 GLN H 1 69 GLN HB3 . . 3.550 3.193 3.075 3.405 . 0 0 "[ . 1 . 2]" 1
825 1 69 GLN HB3 1 70 LYS H . . 4.410 3.317 3.166 3.575 . 0 0 "[ . 1 . 2]" 1
826 1 69 GLN HB2 1 70 LYS HA . . 5.500 5.442 5.191 5.537 0.037 15 0 "[ . 1 . 2]" 1
827 1 69 GLN HB3 1 70 LYS HA . . 5.060 4.221 4.187 4.269 . 0 0 "[ . 1 . 2]" 1
828 1 68 ALA MB 1 69 GLN HB2 . . 4.560 4.461 4.324 4.559 . 0 0 "[ . 1 . 2]" 1
829 1 70 LYS HA 1 71 LEU MD2 . . 5.370 4.920 4.575 5.377 0.007 12 0 "[ . 1 . 2]" 1
830 1 70 LYS H 1 70 LYS HB3 . . 4.050 2.873 2.761 2.964 . 0 0 "[ . 1 . 2]" 1
831 1 70 LYS HB3 1 71 LEU MD2 . . 5.500 5.053 4.875 5.341 . 0 0 "[ . 1 . 2]" 1
832 1 70 LYS HB2 1 71 LEU MD2 . . 5.500 4.287 3.918 4.687 . 0 0 "[ . 1 . 2]" 1
833 1 71 LEU HA 1 72 GLU H . . 3.220 2.207 2.140 2.266 . 0 0 "[ . 1 . 2]" 1
834 1 71 LEU HA 1 73 THR H . . 4.470 3.715 3.217 4.031 . 0 0 "[ . 1 . 2]" 1
835 1 71 LEU HA 1 76 ASP HB2 . . 3.900 3.321 2.940 3.681 . 0 0 "[ . 1 . 2]" 1
836 1 71 LEU HA 1 76 ASP HB3 . . 3.900 2.557 2.267 2.965 . 0 0 "[ . 1 . 2]" 1
837 1 71 LEU HA 1 77 ILE HG12 . . 4.870 4.039 3.764 4.407 . 0 0 "[ . 1 . 2]" 1
838 1 71 LEU H 1 71 LEU HG . . 3.550 2.845 2.507 3.059 . 0 0 "[ . 1 . 2]" 1
839 1 70 LYS H 1 71 LEU HG . . 4.520 3.450 3.270 3.805 . 0 0 "[ . 1 . 2]" 1
840 1 68 ALA H 1 71 LEU HG . . 5.090 4.863 4.732 4.925 . 0 0 "[ . 1 . 2]" 1
841 1 71 LEU HG 1 80 TYR HD2 . . 4.620 4.541 4.470 4.621 0.001 14 0 "[ . 1 . 2]" 1
842 1 71 LEU HG 1 80 TYR HE2 . . 5.500 5.499 5.448 5.511 0.011 7 0 "[ . 1 . 2]" 1
843 1 71 LEU HA 1 71 LEU HG . . 3.980 3.161 3.090 3.241 . 0 0 "[ . 1 . 2]" 1
844 1 67 ASP HB2 1 71 LEU HG . . 5.420 5.258 4.976 5.433 0.013 15 0 "[ . 1 . 2]" 1
845 1 68 ALA MB 1 71 LEU HG . . 4.510 4.496 4.377 4.524 0.014 8 0 "[ . 1 . 2]" 1
846 1 71 LEU HB3 1 77 ILE H . . 5.500 4.120 3.811 4.560 . 0 0 "[ . 1 . 2]" 1
847 1 70 LYS H 1 71 LEU HB3 . . 5.500 5.526 5.514 5.541 0.041 12 0 "[ . 1 . 2]" 1
848 1 68 ALA HA 1 71 LEU HB3 . . 4.790 3.820 3.686 3.975 . 0 0 "[ . 1 . 2]" 1
849 1 71 LEU HB3 1 77 ILE HG12 . . 3.990 2.141 2.000 2.340 . 0 0 "[ . 1 . 2]" 1
850 1 71 LEU HB2 1 72 GLU H . . 5.280 4.417 4.271 4.488 . 0 0 "[ . 1 . 2]" 1
851 1 71 LEU HB2 1 77 ILE HG12 . . 4.350 3.543 3.209 3.904 . 0 0 "[ . 1 . 2]" 1
852 1 71 LEU MD1 1 81 ILE H . . 5.430 4.443 4.172 5.083 . 0 0 "[ . 1 . 2]" 1
853 1 71 LEU MD2 1 81 ILE H . . 5.420 4.377 4.106 4.708 . 0 0 "[ . 1 . 2]" 1
854 1 71 LEU MD2 1 77 ILE H . . 4.690 3.402 3.104 3.655 . 0 0 "[ . 1 . 2]" 1
855 1 70 LYS H 1 71 LEU MD1 . . 5.500 4.594 4.348 4.931 . 0 0 "[ . 1 . 2]" 1
856 1 70 LYS H 1 71 LEU MD2 . . 5.500 4.533 4.371 4.768 . 0 0 "[ . 1 . 2]" 1
857 1 71 LEU HA 1 71 LEU MD2 . . 3.090 1.974 1.947 2.080 . 0 0 "[ . 1 . 2]" 1
858 1 71 LEU MD2 1 76 ASP HB2 . . 3.750 3.488 3.051 3.754 0.004 6 0 "[ . 1 . 2]" 1
859 1 71 LEU MD2 1 76 ASP HB3 . . 3.750 2.308 2.031 2.926 . 0 0 "[ . 1 . 2]" 1
860 1 72 GLU H 1 72 GLU HG3 . . 4.060 3.177 1.955 3.767 . 0 0 "[ . 1 . 2]" 1
861 1 72 GLU HG3 1 73 THR H . . 5.000 2.822 1.957 3.695 . 0 0 "[ . 1 . 2]" 1
862 1 72 GLU H 1 72 GLU HG2 . . 4.060 2.372 1.968 3.586 . 0 0 "[ . 1 . 2]" 1
863 1 72 GLU HG2 1 73 THR H . . 5.000 2.606 1.946 4.971 . 0 0 "[ . 1 . 2]" 1
864 1 72 GLU HG3 1 73 THR MG . . 4.590 2.736 2.056 3.823 . 0 0 "[ . 1 . 2]" 1
865 1 72 GLU HG2 1 73 THR MG . . 4.590 3.304 2.361 4.378 . 0 0 "[ . 1 . 2]" 1
866 1 37 LEU H 1 73 THR HA . . 4.060 3.053 2.714 3.322 . 0 0 "[ . 1 . 2]" 1
867 1 73 THR HA 1 74 VAL HB . . 5.350 4.953 4.858 5.036 . 0 0 "[ . 1 . 2]" 1
868 1 73 THR HB 1 74 VAL H . . 3.800 2.571 2.370 2.786 . 0 0 "[ . 1 . 2]" 1
869 1 34 THR HA 1 73 THR HB . . 3.780 3.040 2.819 3.347 . 0 0 "[ . 1 . 2]" 1
870 1 73 THR MG 1 74 VAL H . . 4.320 3.565 3.354 3.909 . 0 0 "[ . 1 . 2]" 1
871 1 36 ASN H 1 73 THR MG . . 4.700 2.779 2.398 3.162 . 0 0 "[ . 1 . 2]" 1
872 1 72 GLU H 1 73 THR MG . . 4.420 4.182 3.801 4.399 . 0 0 "[ . 1 . 2]" 1
873 1 73 THR H 1 73 THR MG . . 3.410 2.811 2.380 3.411 0.001 19 0 "[ . 1 . 2]" 1
874 1 37 LEU H 1 73 THR MG . . 4.380 4.019 3.548 4.264 . 0 0 "[ . 1 . 2]" 1
875 1 73 THR HA 1 73 THR MG . . 3.210 2.212 2.101 2.395 . 0 0 "[ . 1 . 2]" 1
876 1 36 ASN HA 1 73 THR MG . . 3.120 2.292 1.995 2.665 . 0 0 "[ . 1 . 2]" 1
877 1 36 ASN HB3 1 73 THR MG . . 4.360 3.921 3.645 4.365 0.005 10 0 "[ . 1 . 2]" 1
878 1 74 VAL HA 1 77 ILE H . . 4.090 3.622 3.447 3.834 . 0 0 "[ . 1 . 2]" 1
879 1 73 THR HA 1 74 VAL HA . . 5.450 4.303 4.300 4.306 . 0 0 "[ . 1 . 2]" 1
880 1 74 VAL H 1 74 VAL HB . . 3.870 2.627 2.524 2.683 . 0 0 "[ . 1 . 2]" 1
881 1 33 GLY HA3 1 74 VAL HB . . 4.040 3.479 3.372 3.724 . 0 0 "[ . 1 . 2]" 1
882 1 33 GLY HA2 1 74 VAL HB . . 3.890 1.994 1.984 2.000 . 0 0 "[ . 1 . 2]" 1
883 1 74 VAL H 1 74 VAL MG2 . . 3.450 2.077 2.001 2.138 . 0 0 "[ . 1 . 2]" 1
884 1 74 VAL MG2 1 75 ASP H . . 4.360 3.691 3.602 3.790 . 0 0 "[ . 1 . 2]" 1
885 1 73 THR HA 1 74 VAL MG2 . . 4.560 3.634 3.567 3.745 . 0 0 "[ . 1 . 2]" 1
886 1 35 THR HB 1 74 VAL MG2 . . 4.180 3.753 3.504 4.187 0.007 16 0 "[ . 1 . 2]" 1
887 1 74 VAL HA 1 74 VAL MG2 . . 3.200 2.387 2.314 2.434 . 0 0 "[ . 1 . 2]" 1
888 1 35 THR H 1 74 VAL MG2 . . 5.060 3.440 3.012 4.197 . 0 0 "[ . 1 . 2]" 1
889 1 74 VAL MG1 1 75 ASP H . . 4.040 3.327 3.121 3.511 . 0 0 "[ . 1 . 2]" 1
890 1 74 VAL H 1 74 VAL MG1 . . 4.450 3.760 3.756 3.764 . 0 0 "[ . 1 . 2]" 1
891 1 75 ASP HA 1 78 CYS H . . 4.030 3.855 3.798 3.911 . 0 0 "[ . 1 . 2]" 1
892 1 74 VAL MG1 1 75 ASP HA . . 3.530 3.467 3.261 3.537 0.007 4 0 "[ . 1 . 2]" 1
893 1 34 THR MG 1 75 ASP HB3 . . 5.050 3.589 3.345 3.902 . 0 0 "[ . 1 . 2]" 1
894 1 73 THR MG 1 75 ASP HB3 . . 5.090 4.760 4.525 4.953 . 0 0 "[ . 1 . 2]" 1
895 1 74 VAL MG1 1 75 ASP HB3 . . 5.370 5.300 5.137 5.370 . 0 0 "[ . 1 . 2]" 1
896 1 74 VAL MG1 1 75 ASP HB2 . . 4.830 4.500 4.239 4.646 . 0 0 "[ . 1 . 2]" 1
897 1 34 THR MG 1 75 ASP HB2 . . 5.190 3.202 2.944 3.800 . 0 0 "[ . 1 . 2]" 1
898 1 73 THR MG 1 75 ASP HB2 . . 5.500 5.455 5.358 5.503 0.003 8 0 "[ . 1 . 2]" 1
899 1 75 ASP H 1 75 ASP HB2 . . 3.740 2.388 2.287 2.528 . 0 0 "[ . 1 . 2]" 1
900 1 76 ASP HA 1 79 ARG HB2 . . 4.370 3.237 2.506 3.831 . 0 0 "[ . 1 . 2]" 1
901 1 76 ASP HB2 1 77 ILE H . . 4.080 2.581 2.475 3.261 . 0 0 "[ . 1 . 2]" 1
902 1 72 GLU H 1 76 ASP HB2 . . 4.010 3.049 2.609 3.337 . 0 0 "[ . 1 . 2]" 1
903 1 73 THR H 1 76 ASP HB2 . . 4.240 2.547 2.377 2.824 . 0 0 "[ . 1 . 2]" 1
904 1 73 THR H 1 76 ASP HB3 . . 4.240 3.755 3.130 4.188 . 0 0 "[ . 1 . 2]" 1
905 1 76 ASP HB3 1 77 ILE H . . 4.080 3.223 2.577 3.391 . 0 0 "[ . 1 . 2]" 1
906 1 72 GLU H 1 76 ASP HB3 . . 4.010 3.364 2.855 3.663 . 0 0 "[ . 1 . 2]" 1
907 1 76 ASP HB2 1 77 ILE HG13 . . 4.830 3.384 3.229 4.231 . 0 0 "[ . 1 . 2]" 1
908 1 76 ASP HB3 1 77 ILE HG12 . . 5.500 5.128 4.080 5.441 . 0 0 "[ . 1 . 2]" 1
909 1 76 ASP HB3 1 77 ILE HG13 . . 4.830 3.877 3.224 4.094 . 0 0 "[ . 1 . 2]" 1
910 1 77 ILE HA 1 79 ARG H . . 4.800 4.379 4.213 4.525 . 0 0 "[ . 1 . 2]" 1
911 1 71 LEU HA 1 77 ILE HA . . 4.840 4.099 3.858 4.422 . 0 0 "[ . 1 . 2]" 1
912 1 77 ILE HA 1 80 TYR HB3 . . 3.630 2.922 2.842 3.005 . 0 0 "[ . 1 . 2]" 1
913 1 77 ILE HA 1 77 ILE HG13 . . 3.610 2.762 2.654 3.037 . 0 0 "[ . 1 . 2]" 1
914 1 71 LEU HB3 1 77 ILE HA . . 4.020 2.833 2.427 3.256 . 0 0 "[ . 1 . 2]" 1
915 1 77 ILE HA 1 77 ILE HG12 . . 3.330 2.766 2.573 2.872 . 0 0 "[ . 1 . 2]" 1
916 1 71 LEU MD1 1 77 ILE HA . . 3.800 2.657 2.189 3.360 . 0 0 "[ . 1 . 2]" 1
917 1 71 LEU MD2 1 77 ILE HA . . 3.920 2.048 1.885 2.425 . 0 0 "[ . 1 . 2]" 1
918 1 74 VAL HA 1 77 ILE HB . . 3.640 2.876 2.739 3.031 . 0 0 "[ . 1 . 2]" 1
919 1 71 LEU MD1 1 77 ILE HB . . 5.500 4.993 4.505 5.451 . 0 0 "[ . 1 . 2]" 1
920 1 71 LEU MD2 1 77 ILE HB . . 5.500 4.537 4.352 4.717 . 0 0 "[ . 1 . 2]" 1
921 1 71 LEU HA 1 77 ILE HG13 . . 5.250 3.474 3.203 4.023 . 0 0 "[ . 1 . 2]" 1
922 1 71 LEU HB3 1 77 ILE HG13 . . 4.000 2.708 2.380 2.990 . 0 0 "[ . 1 . 2]" 1
923 1 71 LEU HG 1 77 ILE HG12 . . 5.200 5.076 4.844 5.206 0.006 14 0 "[ . 1 . 2]" 1
924 1 76 ASP HB2 1 77 ILE HG12 . . 5.500 4.998 4.688 5.502 0.002 5 0 "[ . 1 . 2]" 1
925 1 77 ILE H 1 77 ILE HG12 . . 4.140 3.540 3.286 3.618 . 0 0 "[ . 1 . 2]" 1
926 1 77 ILE H 1 77 ILE MG . . 3.970 3.763 3.763 3.765 . 0 0 "[ . 1 . 2]" 1
927 1 77 ILE MG 1 78 CYS H . . 4.080 3.229 3.211 3.301 . 0 0 "[ . 1 . 2]" 1
928 1 77 ILE MG 1 80 TYR HD1 . . 5.060 4.200 4.066 4.328 . 0 0 "[ . 1 . 2]" 1
929 1 77 ILE MG 1 78 CYS HA . . 4.200 3.485 3.466 3.555 . 0 0 "[ . 1 . 2]" 1
930 1 77 ILE HA 1 77 ILE MG . . 3.140 2.346 2.338 2.351 . 0 0 "[ . 1 . 2]" 1
931 1 77 ILE HG13 1 77 ILE MG . . 3.570 3.146 3.113 3.185 . 0 0 "[ . 1 . 2]" 1
932 1 13 VAL MG1 1 77 ILE MG . . 3.050 2.829 2.671 2.976 . 0 0 "[ . 1 . 2]" 1
933 1 77 ILE H 1 77 ILE MD . . 3.760 3.203 3.040 3.530 . 0 0 "[ . 1 . 2]" 1
934 1 77 ILE MD 1 78 CYS H . . 4.730 4.058 3.934 4.254 . 0 0 "[ . 1 . 2]" 1
935 1 48 PHE HE1 1 77 ILE MD . . 4.920 3.666 3.465 3.891 . 0 0 "[ . 1 . 2]" 1
936 1 71 LEU HA 1 77 ILE MD . . 5.320 4.590 4.438 4.902 . 0 0 "[ . 1 . 2]" 1
937 1 74 VAL HA 1 77 ILE MD . . 3.130 2.390 2.072 2.869 . 0 0 "[ . 1 . 2]" 1
938 1 77 ILE HB 1 77 ILE MD . . 3.090 2.195 2.074 2.319 . 0 0 "[ . 1 . 2]" 1
939 1 79 ARG HA 1 79 ARG HG2 . . 3.860 2.881 2.231 3.802 . 0 0 "[ . 1 . 2]" 1
940 1 79 ARG H 1 79 ARG HG2 . . 4.520 4.199 2.868 4.561 0.041 8 0 "[ . 1 . 2]" 1
941 1 79 ARG HA 1 82 ALA H . . 4.290 3.486 3.390 3.717 . 0 0 "[ . 1 . 2]" 1
942 1 79 ARG HA 1 83 SER H . . 4.780 3.798 3.645 3.958 . 0 0 "[ . 1 . 2]" 1
943 1 79 ARG HA 1 79 ARG HD2 . . 4.750 4.044 2.734 4.697 . 0 0 "[ . 1 . 2]" 1
944 1 79 ARG HA 1 79 ARG HG3 . . 3.860 2.931 2.443 3.613 . 0 0 "[ . 1 . 2]" 1
945 1 5 VAL MG1 1 79 ARG HA . . 4.160 3.253 2.153 3.931 . 0 0 "[ . 1 . 2]" 1
946 1 5 VAL MG2 1 79 ARG HA . . 4.160 3.728 2.972 4.171 0.011 14 0 "[ . 1 . 2]" 1
947 1 79 ARG HB3 1 80 TYR H . . 4.380 2.734 2.375 3.472 . 0 0 "[ . 1 . 2]" 1
948 1 76 ASP HA 1 79 ARG HB3 . . 4.370 3.106 2.562 4.145 . 0 0 "[ . 1 . 2]" 1
949 1 79 ARG H 1 79 ARG HD2 . . 5.150 4.889 3.877 5.161 0.011 19 0 "[ . 1 . 2]" 1
950 1 79 ARG HA 1 79 ARG HD3 . . 4.750 3.986 2.692 4.679 . 0 0 "[ . 1 . 2]" 1
951 1 79 ARG H 1 79 ARG HD3 . . 5.150 4.792 3.733 5.108 . 0 0 "[ . 1 . 2]" 1
952 1 78 CYS HA 1 81 ILE H . . 4.350 3.495 3.408 3.577 . 0 0 "[ . 1 . 2]" 1
953 1 78 CYS HA 1 82 ALA H . . 4.610 3.893 3.601 4.020 . 0 0 "[ . 1 . 2]" 1
954 1 78 CYS HA 1 80 TYR H . . 4.870 4.490 4.309 4.671 . 0 0 "[ . 1 . 2]" 1
955 1 13 VAL HB 1 78 CYS HA . . 5.190 4.681 4.478 4.906 . 0 0 "[ . 1 . 2]" 1
956 1 77 ILE HB 1 78 CYS HA . . 5.400 4.188 4.144 4.217 . 0 0 "[ . 1 . 2]" 1
957 1 9 ILE HB 1 78 CYS HA . . 4.870 4.504 4.351 4.650 . 0 0 "[ . 1 . 2]" 1
958 1 78 CYS HA 1 81 ILE HB . . 3.490 2.789 2.761 2.832 . 0 0 "[ . 1 . 2]" 1
959 1 78 CYS HA 1 81 ILE HG13 . . 4.450 3.705 3.561 3.819 . 0 0 "[ . 1 . 2]" 1
960 1 78 CYS HA 1 82 ALA MB . . 4.950 4.306 4.108 4.390 . 0 0 "[ . 1 . 2]" 1
961 1 13 VAL MG1 1 78 CYS HA . . 3.360 2.884 2.760 3.064 . 0 0 "[ . 1 . 2]" 1
962 1 78 CYS HA 1 81 ILE MD . . 3.660 2.871 2.652 3.285 . 0 0 "[ . 1 . 2]" 1
963 1 78 CYS H 1 78 CYS HB2 . . 3.850 2.320 2.245 2.377 . 0 0 "[ . 1 . 2]" 1
964 1 78 CYS HB2 1 79 ARG H . . 4.240 3.765 3.728 3.813 . 0 0 "[ . 1 . 2]" 1
965 1 77 ILE H 1 78 CYS HB2 . . 5.500 5.038 4.964 5.131 . 0 0 "[ . 1 . 2]" 1
966 1 78 CYS HB2 1 82 ALA MB . . 5.500 5.437 5.259 5.507 0.007 5 0 "[ . 1 . 2]" 1
967 1 78 CYS HB2 1 81 ILE HB . . 5.500 5.314 5.240 5.406 . 0 0 "[ . 1 . 2]" 1
968 1 78 CYS HB3 1 82 ALA MB . . 5.500 4.603 4.338 4.721 . 0 0 "[ . 1 . 2]" 1
969 1 78 CYS HB3 1 81 ILE HB . . 5.500 5.520 5.508 5.537 0.037 5 0 "[ . 1 . 2]" 1
970 1 10 LYS HA 1 78 CYS HB3 . . 5.500 4.685 4.611 4.751 . 0 0 "[ . 1 . 2]" 1
971 1 10 LYS HA 1 78 CYS HB2 . . 5.500 3.748 3.640 3.885 . 0 0 "[ . 1 . 2]" 1
972 1 77 ILE H 1 78 CYS HB3 . . 5.500 5.182 5.069 5.366 . 0 0 "[ . 1 . 2]" 1
973 1 78 CYS HB3 1 79 ARG H . . 4.240 2.656 2.543 2.850 . 0 0 "[ . 1 . 2]" 1
974 1 78 CYS H 1 78 CYS HB3 . . 3.850 2.755 2.684 2.849 . 0 0 "[ . 1 . 2]" 1
975 1 80 TYR HA 1 83 SER H . . 4.250 3.758 3.684 3.877 . 0 0 "[ . 1 . 2]" 1
976 1 80 TYR HA 1 81 ILE HG13 . . 5.500 5.260 5.194 5.319 . 0 0 "[ . 1 . 2]" 1
977 1 80 TYR HA 1 82 ALA MB . . 5.500 5.108 5.037 5.309 . 0 0 "[ . 1 . 2]" 1
978 1 71 LEU MD2 1 80 TYR HA . . 4.380 4.013 3.861 4.139 . 0 0 "[ . 1 . 2]" 1
979 1 80 TYR HB3 1 81 ILE H . . 3.910 2.694 2.635 2.740 . 0 0 "[ . 1 . 2]" 1
980 1 80 TYR HB3 1 80 TYR HD1 . . 3.620 2.458 2.451 2.466 . 0 0 "[ . 1 . 2]" 1
981 1 80 TYR HB3 1 81 ILE HB . . 5.500 4.974 4.946 5.000 . 0 0 "[ . 1 . 2]" 1
982 1 80 TYR HB3 1 81 ILE HG13 . . 5.110 3.268 3.225 3.303 . 0 0 "[ . 1 . 2]" 1
983 1 71 LEU HB3 1 80 TYR HB3 . . 5.500 4.700 4.326 5.034 . 0 0 "[ . 1 . 2]" 1
984 1 80 TYR HB3 1 81 ILE HG12 . . 5.500 4.524 4.417 4.650 . 0 0 "[ . 1 . 2]" 1
985 1 77 ILE MG 1 80 TYR HB3 . . 4.970 3.824 3.784 3.875 . 0 0 "[ . 1 . 2]" 1
986 1 71 LEU MD1 1 80 TYR HB3 . . 4.140 2.432 2.081 3.227 . 0 0 "[ . 1 . 2]" 1
987 1 71 LEU MD2 1 80 TYR HB3 . . 4.380 2.199 1.946 2.644 . 0 0 "[ . 1 . 2]" 1
988 1 71 LEU MD2 1 80 TYR HB2 . . 3.680 1.989 1.882 2.125 . 0 0 "[ . 1 . 2]" 1
989 1 77 ILE MG 1 80 TYR HB2 . . 5.280 5.213 5.172 5.268 . 0 0 "[ . 1 . 2]" 1
990 1 71 LEU HB3 1 80 TYR HB2 . . 5.460 5.208 4.886 5.464 0.004 15 0 "[ . 1 . 2]" 1
991 1 80 TYR HB2 1 81 ILE HG13 . . 5.230 4.991 4.946 5.029 . 0 0 "[ . 1 . 2]" 1
992 1 77 ILE HA 1 80 TYR HB2 . . 4.080 3.968 3.910 4.038 . 0 0 "[ . 1 . 2]" 1
993 1 80 TYR HB2 1 80 TYR HE2 . . 4.770 4.666 4.662 4.668 . 0 0 "[ . 1 . 2]" 1
994 1 80 TYR HB2 1 80 TYR HD2 . . 3.520 2.405 2.399 2.410 . 0 0 "[ . 1 . 2]" 1
995 1 80 TYR HB2 1 81 ILE H . . 4.170 3.995 3.962 4.024 . 0 0 "[ . 1 . 2]" 1
996 1 81 ILE HA 1 83 SER H . . 5.340 4.620 4.541 4.686 . 0 0 "[ . 1 . 2]" 1
997 1 81 ILE HA 1 84 LYS H . . 4.490 3.682 3.633 3.725 . 0 0 "[ . 1 . 2]" 1
998 1 80 TYR HD1 1 81 ILE HA . . 4.000 3.023 2.976 3.062 . 0 0 "[ . 1 . 2]" 1
999 1 80 TYR HE1 1 81 ILE HA . . 5.080 4.189 4.131 4.217 . 0 0 "[ . 1 . 2]" 1
1000 1 81 ILE HA 1 82 ALA HA . . 4.860 4.773 4.755 4.800 . 0 0 "[ . 1 . 2]" 1
1001 1 81 ILE HA 1 84 LYS HB2 . . 4.540 3.190 3.075 3.256 . 0 0 "[ . 1 . 2]" 1
1002 1 81 ILE HA 1 81 ILE HG13 . . 3.520 2.996 2.900 3.058 . 0 0 "[ . 1 . 2]" 1
1003 1 81 ILE HA 1 81 ILE HG12 . . 3.370 2.544 2.503 2.616 . 0 0 "[ . 1 . 2]" 1
1004 1 9 ILE MD 1 81 ILE HA . . 4.360 4.327 4.213 4.373 0.013 11 0 "[ . 1 . 2]" 1
1005 1 81 ILE HA 1 81 ILE MG . . 3.050 2.372 2.295 2.398 . 0 0 "[ . 1 . 2]" 1
1006 1 13 VAL MG1 1 81 ILE HB . . 4.200 3.499 3.377 3.598 . 0 0 "[ . 1 . 2]" 1
1007 1 9 ILE MD 1 81 ILE HB . . 3.550 3.304 3.096 3.475 . 0 0 "[ . 1 . 2]" 1
1008 1 81 ILE HG13 1 82 ALA H . . 5.370 4.235 4.169 4.260 . 0 0 "[ . 1 . 2]" 1
1009 1 77 ILE MG 1 81 ILE HG13 . . 3.690 2.675 2.600 2.748 . 0 0 "[ . 1 . 2]" 1
1010 1 81 ILE HG13 1 81 ILE MG . . 3.400 3.199 3.186 3.204 . 0 0 "[ . 1 . 2]" 1
1011 1 81 ILE HG12 1 81 ILE MG . . 3.220 2.378 2.323 2.412 . 0 0 "[ . 1 . 2]" 1
1012 1 77 ILE MG 1 81 ILE HG12 . . 4.120 3.774 3.714 3.836 . 0 0 "[ . 1 . 2]" 1
1013 1 78 CYS HA 1 81 ILE HG12 . . 5.370 5.036 4.966 5.100 . 0 0 "[ . 1 . 2]" 1
1014 1 81 ILE HG12 1 82 ALA H . . 5.330 5.008 4.926 5.075 . 0 0 "[ . 1 . 2]" 1
1015 1 81 ILE MG 1 82 ALA H . . 3.990 3.513 3.292 3.608 . 0 0 "[ . 1 . 2]" 1
1016 1 59 PHE HE1 1 81 ILE MG . . 4.250 4.056 3.989 4.228 . 0 0 "[ . 1 . 2]" 1
1017 1 59 PHE HB2 1 81 ILE MG . . 4.230 3.227 3.139 3.344 . 0 0 "[ . 1 . 2]" 1
1018 1 9 ILE MD 1 81 ILE MG . . 2.850 1.925 1.880 1.991 . 0 0 "[ . 1 . 2]" 1
1019 1 81 ILE H 1 81 ILE MD . . 4.010 3.589 3.471 3.672 . 0 0 "[ . 1 . 2]" 1
1020 1 81 ILE MD 1 82 ALA H . . 4.740 4.624 4.418 4.700 . 0 0 "[ . 1 . 2]" 1
1021 1 59 PHE HD1 1 81 ILE MD . . 4.020 3.845 3.731 3.945 . 0 0 "[ . 1 . 2]" 1
1022 1 59 PHE HE1 1 81 ILE MD . . 4.270 4.260 4.151 4.284 0.014 4 0 "[ . 1 . 2]" 1
1023 1 80 TYR HE1 1 81 ILE MD . . 5.280 5.219 5.061 5.287 0.007 2 0 "[ . 1 . 2]" 1
1024 1 13 VAL HA 1 81 ILE MD . . 4.700 4.357 4.271 4.497 . 0 0 "[ . 1 . 2]" 1
1025 1 59 PHE HB2 1 81 ILE MD . . 4.520 4.428 4.326 4.504 . 0 0 "[ . 1 . 2]" 1
1026 1 81 ILE HA 1 81 ILE MD . . 4.050 3.834 3.811 3.864 . 0 0 "[ . 1 . 2]" 1
1027 1 59 PHE HB3 1 81 ILE MD . . 5.500 5.468 5.376 5.506 0.006 7 0 "[ . 1 . 2]" 1
1028 1 13 VAL HB 1 81 ILE MD . . 4.380 3.788 3.608 4.003 . 0 0 "[ . 1 . 2]" 1
1029 1 81 ILE HB 1 81 ILE MD . . 3.340 2.400 2.344 2.440 . 0 0 "[ . 1 . 2]" 1
1030 1 55 LEU HB3 1 81 ILE MD . . 4.170 2.600 2.364 2.695 . 0 0 "[ . 1 . 2]" 1
1031 1 13 VAL MG1 1 81 ILE MD . . 3.070 1.936 1.833 2.118 . 0 0 "[ . 1 . 2]" 1
1032 1 55 LEU MD1 1 81 ILE MD . . 3.550 1.964 1.886 2.089 . 0 0 "[ . 1 . 2]" 1
1033 1 77 ILE MG 1 81 ILE MD . . 2.800 2.190 2.010 2.346 . 0 0 "[ . 1 . 2]" 1
1034 1 82 ALA HA 1 84 LYS H . . 4.790 3.876 3.858 3.900 . 0 0 "[ . 1 . 2]" 1
1035 1 81 ILE MG 1 82 ALA HA . . 3.850 3.483 3.336 3.671 . 0 0 "[ . 1 . 2]" 1
1036 1 82 ALA H 1 82 ALA MB . . 2.840 2.229 2.199 2.247 . 0 0 "[ . 1 . 2]" 1
1037 1 79 ARG H 1 82 ALA MB . . 4.870 4.521 4.459 4.578 . 0 0 "[ . 1 . 2]" 1
1038 1 81 ILE H 1 82 ALA MB . . 5.150 4.208 4.173 4.250 . 0 0 "[ . 1 . 2]" 1
1039 1 82 ALA H 1 83 SER HA . . 5.430 5.251 5.212 5.324 . 0 0 "[ . 1 . 2]" 1
1040 1 82 ALA MB 1 83 SER HA . . 4.090 3.782 3.758 3.796 . 0 0 "[ . 1 . 2]" 1
1041 1 83 SER HB2 1 84 LYS H . . 4.670 3.965 3.189 4.236 . 0 0 "[ . 1 . 2]" 1
1042 1 82 ALA MB 1 83 SER HB2 . . 5.500 4.208 3.992 5.290 . 0 0 "[ . 1 . 2]" 1
1043 1 82 ALA MB 1 83 SER HB3 . . 5.500 4.689 4.398 5.317 . 0 0 "[ . 1 . 2]" 1
1044 1 81 ILE HA 1 84 LYS HB3 . . 4.760 4.713 4.620 4.767 0.007 17 0 "[ . 1 . 2]" 1
1045 1 81 ILE MG 1 84 LYS HB3 . . 5.330 5.042 4.894 5.157 . 0 0 "[ . 1 . 2]" 1
1046 1 81 ILE MG 1 84 LYS HB2 . . 5.500 3.729 3.488 3.839 . 0 0 "[ . 1 . 2]" 1
1047 1 9 ILE MD 1 84 LYS HB2 . . 4.690 4.701 4.694 4.713 0.023 14 0 "[ . 1 . 2]" 1
1048 1 84 LYS H 1 84 LYS HG3 . . 4.270 3.420 3.361 3.492 . 0 0 "[ . 1 . 2]" 1
1049 1 80 TYR HE1 1 84 LYS HE2 . . 5.240 4.005 2.946 5.098 . 0 0 "[ . 1 . 2]" 1
1050 1 80 TYR HE2 1 84 LYS HE2 . . 5.500 3.493 3.178 3.969 . 0 0 "[ . 1 . 2]" 1
1051 1 9 ILE MD 1 85 SER HA . . 4.410 4.375 4.210 4.416 0.006 5 0 "[ . 1 . 2]" 1
1052 1 84 LYS HB2 1 85 SER HA . . 5.010 4.309 4.168 4.522 . 0 0 "[ . 1 . 2]" 1
1053 1 84 LYS HB3 1 85 SER HA . . 5.120 4.476 4.324 4.659 . 0 0 "[ . 1 . 2]" 1
1054 1 85 SER H 1 85 SER HB2 . . 3.800 2.905 2.461 3.595 . 0 0 "[ . 1 . 2]" 1
1055 1 85 SER H 1 85 SER HB3 . . 3.800 2.660 2.163 3.741 . 0 0 "[ . 1 . 2]" 1
1056 1 85 SER HB3 1 86 SER H . . 4.670 3.180 2.197 4.621 . 0 0 "[ . 1 . 2]" 1
1057 1 85 SER HB2 1 86 SER H . . 4.670 3.798 2.316 4.631 . 0 0 "[ . 1 . 2]" 1
1058 1 9 ILE MD 1 85 SER HB3 . . 4.320 2.552 2.021 3.861 . 0 0 "[ . 1 . 2]" 1
1059 1 81 ILE MG 1 85 SER HB2 . . 4.790 4.128 3.353 4.793 0.003 8 0 "[ . 1 . 2]" 1
1060 1 81 ILE MG 1 85 SER HB3 . . 4.790 4.324 3.455 4.794 0.004 18 0 "[ . 1 . 2]" 1
1061 1 27 GLN H 1 27 GLN HG3 . . 4.300 3.710 3.241 4.108 . 0 0 "[ . 1 . 2]" 1
1062 1 24 ASN H 1 27 GLN HG3 . . 4.830 3.350 2.671 4.712 . 0 0 "[ . 1 . 2]" 1
1063 1 27 GLN HA 1 27 GLN HG3 . . 3.750 3.302 2.277 3.747 . 0 0 "[ . 1 . 2]" 1
1064 1 23 LEU HB3 1 27 GLN HG3 . . 5.210 4.098 3.693 4.953 . 0 0 "[ . 1 . 2]" 1
1065 1 27 GLN HG3 1 30 ILE MD . . 5.330 4.276 2.985 5.066 . 0 0 "[ . 1 . 2]" 1
1066 1 23 LEU MD1 1 27 GLN HG3 . . 4.980 2.240 1.931 3.208 . 0 0 "[ . 1 . 2]" 1
1067 1 23 LEU MD1 1 27 GLN HG2 . . 4.980 2.724 1.907 3.172 . 0 0 "[ . 1 . 2]" 1
1068 1 23 LEU HG 1 27 GLN HG2 . . 5.500 5.153 4.345 5.514 0.014 9 0 "[ . 1 . 2]" 1
1069 1 23 LEU HG 1 27 GLN HG3 . . 5.500 4.704 4.506 5.487 . 0 0 "[ . 1 . 2]" 1
1070 1 27 GLN HG2 1 30 ILE MD . . 5.330 4.934 4.430 5.322 . 0 0 "[ . 1 . 2]" 1
1071 1 23 LEU HB3 1 27 GLN HG2 . . 5.210 3.942 3.668 4.177 . 0 0 "[ . 1 . 2]" 1
1072 1 27 GLN HA 1 27 GLN HG2 . . 3.750 3.479 3.311 3.665 . 0 0 "[ . 1 . 2]" 1
1073 1 24 ASN H 1 27 GLN HG2 . . 4.830 2.552 2.153 3.521 . 0 0 "[ . 1 . 2]" 1
1074 1 63 ILE HA 1 80 TYR HE1 . . 4.170 3.517 3.409 3.799 . 0 0 "[ . 1 . 2]" 1
1075 1 67 ASP HA 1 80 TYR HE2 . . 4.510 4.178 3.913 4.348 . 0 0 "[ . 1 . 2]" 1
1076 1 64 SER H 1 80 TYR HE1 . . 5.500 5.193 5.084 5.504 0.004 6 0 "[ . 1 . 2]" 1
1077 1 64 SER H 1 80 TYR HE2 . . 5.500 5.499 5.422 5.515 0.015 6 0 "[ . 1 . 2]" 1
1078 1 80 TYR HE1 1 81 ILE H . . 5.500 5.478 5.403 5.512 0.012 5 0 "[ . 1 . 2]" 1
1079 1 80 TYR HA 1 80 TYR HE2 . . 5.160 5.130 5.119 5.140 . 0 0 "[ . 1 . 2]" 1
1080 1 80 TYR HB3 1 80 TYR HE1 . . 4.860 4.694 4.690 4.698 . 0 0 "[ . 1 . 2]" 1
1081 1 80 TYR HE1 1 84 LYS HE3 . . 5.240 3.608 2.834 4.811 . 0 0 "[ . 1 . 2]" 1
1082 1 80 TYR HE2 1 84 LYS HE3 . . 5.500 4.026 3.240 4.753 . 0 0 "[ . 1 . 2]" 1
1083 1 67 ASP HB3 1 80 TYR HE2 . . 3.340 3.025 2.878 3.298 . 0 0 "[ . 1 . 2]" 1
1084 1 63 ILE HG13 1 80 TYR HE1 . . 3.710 3.415 3.187 3.602 . 0 0 "[ . 1 . 2]" 1
1085 1 63 ILE HG12 1 80 TYR HE1 . . 2.970 2.054 1.997 2.201 . 0 0 "[ . 1 . 2]" 1
1086 1 61 LEU HG 1 80 TYR HE1 . . 3.320 2.989 2.879 3.095 . 0 0 "[ . 1 . 2]" 1
1087 1 63 ILE MD 1 80 TYR HE1 . . 3.570 3.344 3.174 3.573 0.003 5 0 "[ . 1 . 2]" 1
1088 1 71 LEU MD1 1 80 TYR HE1 . . 4.280 3.705 3.547 3.888 . 0 0 "[ . 1 . 2]" 1
1089 1 71 LEU MD1 1 80 TYR HE2 . . 4.800 4.184 3.899 4.517 . 0 0 "[ . 1 . 2]" 1
1090 1 80 TYR HE1 1 81 ILE MG . . 5.500 5.191 5.113 5.268 . 0 0 "[ . 1 . 2]" 1
1091 1 80 TYR HD1 1 81 ILE H . . 3.550 3.166 3.085 3.202 . 0 0 "[ . 1 . 2]" 1
1092 1 80 TYR H 1 80 TYR HD2 . . 5.500 4.899 4.853 4.940 . 0 0 "[ . 1 . 2]" 1
1093 1 67 ASP HA 1 80 TYR HD2 . . 5.280 5.203 4.854 5.293 0.013 15 0 "[ . 1 . 2]" 1
1094 1 80 TYR HA 1 80 TYR HD2 . . 3.350 3.128 3.111 3.144 . 0 0 "[ . 1 . 2]" 1
1095 1 77 ILE HA 1 80 TYR HD1 . . 5.000 4.580 4.463 4.718 . 0 0 "[ . 1 . 2]" 1
1096 1 67 ASP HB3 1 80 TYR HD2 . . 4.580 4.368 4.127 4.541 . 0 0 "[ . 1 . 2]" 1
1097 1 80 TYR HD1 1 81 ILE HB . . 4.870 4.640 4.571 4.665 . 0 0 "[ . 1 . 2]" 1
1098 1 80 TYR HD1 1 81 ILE HG13 . . 3.420 2.692 2.515 2.777 . 0 0 "[ . 1 . 2]" 1
1099 1 80 TYR HD1 1 81 ILE HG12 . . 3.280 2.899 2.796 3.042 . 0 0 "[ . 1 . 2]" 1
1100 1 71 LEU MD1 1 80 TYR HD1 . . 3.560 2.861 2.657 3.144 . 0 0 "[ . 1 . 2]" 1
1101 1 71 LEU MD2 1 80 TYR HD2 . . 3.800 3.283 3.089 3.615 . 0 0 "[ . 1 . 2]" 1
1102 1 80 TYR HD1 1 81 ILE MD . . 4.040 4.028 3.895 4.057 0.017 15 0 "[ . 1 . 2]" 1
1103 1 59 PHE H 1 59 PHE HD1 . . 3.510 2.524 2.405 2.621 . 0 0 "[ . 1 . 2]" 1
1104 1 55 LEU HA 1 59 PHE HD1 . . 3.520 3.377 3.282 3.443 . 0 0 "[ . 1 . 2]" 1
1105 1 59 PHE HB2 1 59 PHE HD1 . . 3.180 2.443 2.416 2.479 . 0 0 "[ . 1 . 2]" 1
1106 1 59 PHE HB3 1 59 PHE HD2 . . 3.100 2.393 2.364 2.417 . 0 0 "[ . 1 . 2]" 1
1107 1 55 LEU HB2 1 59 PHE HD1 . . 5.270 5.253 5.195 5.288 0.018 6 0 "[ . 1 . 2]" 1
1108 1 55 LEU HG 1 59 PHE HD1 . . 5.140 5.068 5.013 5.108 . 0 0 "[ . 1 . 2]" 1
1109 1 58 ARG HB2 1 59 PHE HD1 . . 4.390 4.224 4.079 4.319 . 0 0 "[ . 1 . 2]" 1
1110 1 58 ARG HB3 1 59 PHE HD1 . . 4.390 2.531 2.379 2.625 . 0 0 "[ . 1 . 2]" 1
1111 1 55 LEU HB3 1 59 PHE HD1 . . 3.820 3.758 3.693 3.822 0.002 6 0 "[ . 1 . 2]" 1
1112 1 55 LEU MD2 1 59 PHE HD1 . . 3.400 2.469 2.411 2.512 . 0 0 "[ . 1 . 2]" 1
1113 1 9 ILE MG 1 59 PHE HD1 . . 3.990 3.678 3.593 3.791 . 0 0 "[ . 1 . 2]" 1
1114 1 58 ARG HG2 1 59 PHE HD1 . . 4.130 3.025 2.839 3.155 . 0 0 "[ . 1 . 2]" 1
1115 1 59 PHE HD1 1 81 ILE MG . . 3.670 3.493 3.379 3.629 . 0 0 "[ . 1 . 2]" 1
1116 1 48 PHE H 1 48 PHE HD1 . . 4.300 4.195 4.147 4.241 . 0 0 "[ . 1 . 2]" 1
1117 1 48 PHE HA 1 48 PHE HD1 . . 3.410 2.803 2.636 2.939 . 0 0 "[ . 1 . 2]" 1
1118 1 48 PHE HB3 1 48 PHE HD2 . . 3.360 2.353 2.316 2.389 . 0 0 "[ . 1 . 2]" 1
1119 1 48 PHE HB2 1 48 PHE HD1 . . 3.440 2.499 2.446 2.568 . 0 0 "[ . 1 . 2]" 1
1120 1 48 PHE HD1 1 51 LEU HB2 . . 4.760 4.567 4.280 4.737 . 0 0 "[ . 1 . 2]" 1
1121 1 43 LEU HB2 1 48 PHE HD1 . . 4.510 3.917 3.805 4.018 . 0 0 "[ . 1 . 2]" 1
1122 1 43 LEU HB3 1 48 PHE HD1 . . 4.960 4.142 4.038 4.245 . 0 0 "[ . 1 . 2]" 1
1123 1 38 ALA MB 1 48 PHE HD1 . . 3.560 3.101 2.807 3.373 . 0 0 "[ . 1 . 2]" 1
1124 1 43 LEU MD1 1 48 PHE HD1 . . 3.270 3.062 2.911 3.212 . 0 0 "[ . 1 . 2]" 1
1125 1 48 PHE HD2 1 52 ILE MD . . 3.900 2.597 2.350 2.760 . 0 0 "[ . 1 . 2]" 1
1126 1 41 PHE HA 1 41 PHE HE1 . . 4.700 4.444 4.387 4.489 . 0 0 "[ . 1 . 2]" 1
1127 1 31 LEU HA 1 41 PHE HE2 . . 5.500 4.695 4.355 5.233 . 0 0 "[ . 1 . 2]" 1
1128 1 31 LEU HA 1 41 PHE HE1 . . 5.500 5.203 4.805 5.469 . 0 0 "[ . 1 . 2]" 1
1129 1 27 GLN HA 1 41 PHE HE1 . . 4.240 2.929 2.715 3.286 . 0 0 "[ . 1 . 2]" 1
1130 1 37 LEU HA 1 41 PHE HE2 . . 4.000 3.572 3.277 3.803 . 0 0 "[ . 1 . 2]" 1
1131 1 41 PHE HB2 1 41 PHE HE2 . . 4.810 4.601 4.594 4.611 . 0 0 "[ . 1 . 2]" 1
1132 1 27 GLN HB2 1 41 PHE HE1 . . 4.610 4.141 3.860 4.601 . 0 0 "[ . 1 . 2]" 1
1133 1 31 LEU HG 1 41 PHE HE2 . . 4.540 2.919 2.359 4.580 0.040 11 0 "[ . 1 . 2]" 1
1134 1 23 LEU HG 1 41 PHE HE2 . . 4.170 4.000 3.647 4.179 0.009 6 0 "[ . 1 . 2]" 1
1135 1 23 LEU MD1 1 41 PHE HE1 . . 4.220 2.932 2.812 3.213 . 0 0 "[ . 1 . 2]" 1
1136 1 27 GLN HA 1 41 PHE HZ . . 4.690 3.883 3.467 4.257 . 0 0 "[ . 1 . 2]" 1
1137 1 28 LYS HA 1 41 PHE HZ . . 5.280 4.635 4.375 4.839 . 0 0 "[ . 1 . 2]" 1
1138 1 31 LEU HB3 1 41 PHE HZ . . 4.770 4.711 4.425 4.797 0.027 18 0 "[ . 1 . 2]" 1
1139 1 31 LEU HB2 1 41 PHE HZ . . 3.710 3.427 3.181 3.649 . 0 0 "[ . 1 . 2]" 1
1140 1 31 LEU MD1 1 41 PHE HZ . . 4.100 2.201 1.880 2.656 . 0 0 "[ . 1 . 2]" 1
1141 1 31 LEU MD2 1 41 PHE HZ . . 4.100 3.945 3.642 4.104 0.004 8 0 "[ . 1 . 2]" 1
1142 1 30 ILE MD 1 41 PHE HZ . . 3.410 2.960 2.552 3.255 . 0 0 "[ . 1 . 2]" 1
1143 1 23 LEU HG 1 41 PHE HZ . . 4.040 3.802 3.506 4.010 . 0 0 "[ . 1 . 2]" 1
1144 1 23 LEU MD1 1 41 PHE HZ . . 4.920 3.071 2.900 3.424 . 0 0 "[ . 1 . 2]" 1
1145 1 13 VAL H 1 59 PHE HZ . . 4.630 4.441 4.343 4.534 . 0 0 "[ . 1 . 2]" 1
1146 1 9 ILE HA 1 59 PHE HZ . . 4.480 2.185 2.055 2.291 . 0 0 "[ . 1 . 2]" 1
1147 1 12 GLN HB2 1 59 PHE HZ . . 3.900 2.056 1.995 2.139 . 0 0 "[ . 1 . 2]" 1
1148 1 12 GLN HG3 1 59 PHE HZ . . 4.980 1.989 1.978 1.995 . 0 0 "[ . 1 . 2]" 1
1149 1 12 GLN HB3 1 59 PHE HZ . . 3.920 2.841 2.752 2.946 . 0 0 "[ . 1 . 2]" 1
1150 1 13 VAL MG1 1 59 PHE HZ . . 4.620 4.286 4.200 4.365 . 0 0 "[ . 1 . 2]" 1
1151 1 55 LEU MD2 1 59 PHE HZ . . 4.850 4.220 4.086 4.304 . 0 0 "[ . 1 . 2]" 1
1152 1 9 ILE MD 1 59 PHE HZ . . 4.750 4.221 4.150 4.285 . 0 0 "[ . 1 . 2]" 1
1153 1 58 ARG HG2 1 59 PHE HZ . . 5.070 4.279 4.064 4.391 . 0 0 "[ . 1 . 2]" 1
1154 1 59 PHE HZ 1 81 ILE MG . . 5.090 4.615 4.492 4.688 . 0 0 "[ . 1 . 2]" 1
1155 1 48 PHE HZ 1 71 LEU HB2 . . 4.450 3.809 3.327 3.961 . 0 0 "[ . 1 . 2]" 1
1156 1 48 PHE HZ 1 77 ILE HG13 . . 5.500 5.472 5.154 5.506 0.006 4 0 "[ . 1 . 2]" 1
1157 1 38 ALA MB 1 48 PHE HZ . . 5.190 4.677 4.483 4.890 . 0 0 "[ . 1 . 2]" 1
1158 1 48 PHE HZ 1 71 LEU HB3 . . 5.220 4.442 3.923 4.795 . 0 0 "[ . 1 . 2]" 1
1159 1 48 PHE HZ 1 77 ILE MG . . 5.500 5.517 5.510 5.524 0.024 20 0 "[ . 1 . 2]" 1
1160 1 48 PHE HZ 1 52 ILE MD . . 5.080 5.009 4.874 5.082 0.002 17 0 "[ . 1 . 2]" 1
1161 1 5 VAL HB 1 6 SER H . . 4.020 3.681 1.952 4.029 0.009 19 0 "[ . 1 . 2]" 1
1162 1 6 SER H 1 7 GLU H . . 4.920 4.224 4.123 4.371 . 0 0 "[ . 1 . 2]" 1
1163 1 6 SER HB2 1 7 GLU H . . 4.630 4.482 3.974 4.607 . 0 0 "[ . 1 . 2]" 1
1164 1 7 GLU H 1 7 GLU HB3 . . 3.880 2.953 2.567 3.569 . 0 0 "[ . 1 . 2]" 1
1165 1 7 GLU H 1 8 GLU H . . 4.000 2.724 2.601 2.802 . 0 0 "[ . 1 . 2]" 1
1166 1 8 GLU H 1 9 ILE H . . 3.720 2.796 2.749 2.869 . 0 0 "[ . 1 . 2]" 1
1167 1 8 GLU H 1 8 GLU HG2 . . 5.350 4.542 4.433 4.625 . 0 0 "[ . 1 . 2]" 1
1168 1 8 GLU H 1 8 GLU HG3 . . 5.350 4.411 4.188 4.619 . 0 0 "[ . 1 . 2]" 1
1169 1 7 GLU HB2 1 8 GLU H . . 3.970 3.531 2.798 3.954 . 0 0 "[ . 1 . 2]" 1
1170 1 7 GLU HB3 1 8 GLU H . . 3.970 3.334 2.776 3.984 0.014 19 0 "[ . 1 . 2]" 1
1171 1 10 LYS H 1 13 VAL MG2 . . 5.500 3.855 3.848 3.864 . 0 0 "[ . 1 . 2]" 1
1172 1 10 LYS H 1 10 LYS HD3 . . 5.470 5.044 4.988 5.087 . 0 0 "[ . 1 . 2]" 1
1173 1 10 LYS H 1 10 LYS HD2 . . 5.470 4.997 4.918 5.094 . 0 0 "[ . 1 . 2]" 1
1174 1 9 ILE HG13 1 10 LYS H . . 4.770 3.968 3.912 3.987 . 0 0 "[ . 1 . 2]" 1
1175 1 10 LYS H 1 10 LYS HB2 . . 3.370 2.202 2.166 2.235 . 0 0 "[ . 1 . 2]" 1
1176 1 10 LYS H 1 10 LYS HB3 . . 3.690 2.906 2.857 2.963 . 0 0 "[ . 1 . 2]" 1
1177 1 9 ILE H 1 10 LYS H . . 3.890 2.502 2.499 2.517 . 0 0 "[ . 1 . 2]" 1
1178 1 10 LYS HB3 1 11 ALA H . . 3.640 2.643 2.624 2.677 . 0 0 "[ . 1 . 2]" 1
1179 1 12 GLN H 1 13 VAL H . . 3.520 2.545 2.530 2.560 . 0 0 "[ . 1 . 2]" 1
1180 1 11 ALA H 1 12 GLN H . . 3.620 2.539 2.534 2.543 . 0 0 "[ . 1 . 2]" 1
1181 1 12 GLN H 1 12 GLN HB2 . . 3.430 2.260 2.245 2.282 . 0 0 "[ . 1 . 2]" 1
1182 1 12 GLN H 1 55 LEU MD2 . . 5.500 5.084 5.045 5.110 . 0 0 "[ . 1 . 2]" 1
1183 1 12 GLN HB2 1 13 VAL H . . 3.850 2.633 2.605 2.666 . 0 0 "[ . 1 . 2]" 1
1184 1 13 VAL H 1 13 VAL HB . . 3.640 3.611 3.609 3.613 . 0 0 "[ . 1 . 2]" 1
1185 1 9 ILE MG 1 13 VAL H . . 4.610 3.127 3.082 3.207 . 0 0 "[ . 1 . 2]" 1
1186 1 13 VAL MG2 1 14 MET H . . 3.900 1.980 1.962 2.000 . 0 0 "[ . 1 . 2]" 1
1187 1 14 MET H 1 14 MET HB2 . . 3.790 3.599 3.596 3.604 . 0 0 "[ . 1 . 2]" 1
1188 1 14 MET H 1 14 MET HB3 . . 3.370 2.521 2.501 2.556 . 0 0 "[ . 1 . 2]" 1
1189 1 13 VAL H 1 14 MET H . . 3.590 2.663 2.641 2.686 . 0 0 "[ . 1 . 2]" 1
1190 1 14 MET H 1 15 GLU H . . 3.650 2.545 2.524 2.560 . 0 0 "[ . 1 . 2]" 1
1191 1 14 MET HB3 1 15 GLU H . . 4.030 3.888 3.876 3.897 . 0 0 "[ . 1 . 2]" 1
1192 1 15 GLU H 1 15 GLU HB2 . . 3.370 2.629 2.570 2.696 . 0 0 "[ . 1 . 2]" 1
1193 1 15 GLU H 1 15 GLU HB3 . . 3.510 2.439 2.378 2.493 . 0 0 "[ . 1 . 2]" 1
1194 1 14 MET HB2 1 15 GLU H . . 3.930 3.842 3.810 3.865 . 0 0 "[ . 1 . 2]" 1
1195 1 16 SER H 1 17 VAL MG2 . . 4.800 4.188 4.131 4.314 . 0 0 "[ . 1 . 2]" 1
1196 1 16 SER H 1 55 LEU MD2 . . 5.300 4.486 4.419 4.558 . 0 0 "[ . 1 . 2]" 1
1197 1 16 SER H 1 18 ILE MD . . 5.500 4.952 4.890 5.086 . 0 0 "[ . 1 . 2]" 1
1198 1 15 GLU HB3 1 16 SER H . . 3.440 2.759 2.721 2.787 . 0 0 "[ . 1 . 2]" 1
1199 1 16 SER H 1 16 SER HB2 . . 3.750 2.812 2.183 3.593 . 0 0 "[ . 1 . 2]" 1
1200 1 15 GLU H 1 16 SER H . . 3.580 2.571 2.550 2.594 . 0 0 "[ . 1 . 2]" 1
1201 1 16 SER H 1 17 VAL H . . 3.560 2.531 2.506 2.597 . 0 0 "[ . 1 . 2]" 1
1202 1 16 SER HB2 1 17 VAL H . . 4.120 3.733 2.764 4.010 . 0 0 "[ . 1 . 2]" 1
1203 1 17 VAL H 1 17 VAL HB . . 3.340 2.467 2.444 2.503 . 0 0 "[ . 1 . 2]" 1
1204 1 17 VAL H 1 18 ILE HB . . 5.070 4.839 4.799 4.892 . 0 0 "[ . 1 . 2]" 1
1205 1 17 VAL H 1 18 ILE H . . 3.790 2.786 2.756 2.849 . 0 0 "[ . 1 . 2]" 1
1206 1 18 ILE H 1 19 GLY H . . 3.910 2.960 2.926 2.971 . 0 0 "[ . 1 . 2]" 1
1207 1 14 MET HA 1 18 ILE H . . 4.330 3.785 3.730 3.837 . 0 0 "[ . 1 . 2]" 1
1208 1 17 VAL HB 1 18 ILE H . . 3.640 2.400 2.373 2.434 . 0 0 "[ . 1 . 2]" 1
1209 1 18 ILE H 1 18 ILE HB . . 3.050 2.535 2.487 2.571 . 0 0 "[ . 1 . 2]" 1
1210 1 18 ILE H 1 18 ILE MG . . 3.850 3.765 3.759 3.768 . 0 0 "[ . 1 . 2]" 1
1211 1 20 CYS H 1 21 LEU H . . 3.950 2.745 2.708 2.760 . 0 0 "[ . 1 . 2]" 1
1212 1 21 LEU H 1 22 LYS H . . 4.040 2.266 2.242 2.286 . 0 0 "[ . 1 . 2]" 1
1213 1 19 GLY HA3 1 21 LEU H . . 5.500 5.073 5.057 5.089 . 0 0 "[ . 1 . 2]" 1
1214 1 21 LEU H 1 21 LEU HB2 . . 3.780 3.478 3.469 3.485 . 0 0 "[ . 1 . 2]" 1
1215 1 21 LEU H 1 21 LEU HG . . 4.130 1.912 1.904 1.924 . 0 0 "[ . 1 . 2]" 1
1216 1 21 LEU H 1 43 LEU MD2 . . 4.760 4.349 4.324 4.391 . 0 0 "[ . 1 . 2]" 1
1217 1 22 LYS H 1 23 LEU H . . 4.140 3.460 3.438 3.481 . 0 0 "[ . 1 . 2]" 1
1218 1 23 LEU H 1 24 ASN H . . 5.240 4.563 4.509 4.586 . 0 0 "[ . 1 . 2]" 1
1219 1 22 LYS HA 1 23 LEU H . . 3.550 2.254 2.236 2.270 . 0 0 "[ . 1 . 2]" 1
1220 1 23 LEU H 1 23 LEU HB2 . . 3.140 2.294 2.266 2.321 . 0 0 "[ . 1 . 2]" 1
1221 1 23 LEU H 1 23 LEU HB3 . . 4.130 3.566 3.549 3.582 . 0 0 "[ . 1 . 2]" 1
1222 1 23 LEU H 1 23 LEU HG . . 4.420 4.174 4.128 4.237 . 0 0 "[ . 1 . 2]" 1
1223 1 23 LEU HA 1 24 ASN H . . 3.040 2.387 2.271 2.532 . 0 0 "[ . 1 . 2]" 1
1224 1 24 ASN H 1 27 GLN HB2 . . 4.360 2.092 1.938 2.423 . 0 0 "[ . 1 . 2]" 1
1225 1 23 LEU HB2 1 24 ASN H . . 4.340 3.817 3.572 4.032 . 0 0 "[ . 1 . 2]" 1
1226 1 23 LEU HB3 1 24 ASN H . . 3.950 2.483 2.145 2.788 . 0 0 "[ . 1 . 2]" 1
1227 1 23 LEU MD1 1 24 ASN H . . 4.000 2.706 2.669 2.776 . 0 0 "[ . 1 . 2]" 1
1228 1 25 ASP H 1 26 GLU H . . 4.220 2.715 2.587 2.869 . 0 0 "[ . 1 . 2]" 1
1229 1 26 GLU H 1 27 GLN H . . 3.320 2.692 2.507 2.886 . 0 0 "[ . 1 . 2]" 1
1230 1 24 ASN HB2 1 26 GLU H . . 5.020 3.138 2.610 4.560 . 0 0 "[ . 1 . 2]" 1
1231 1 26 GLU H 1 26 GLU HB2 . . 3.690 2.388 2.190 2.679 . 0 0 "[ . 1 . 2]" 1
1232 1 24 ASN H 1 27 GLN H . . 4.440 3.295 3.030 3.487 . 0 0 "[ . 1 . 2]" 1
1233 1 27 GLN H 1 29 GLN H . . 5.000 3.989 3.909 4.305 . 0 0 "[ . 1 . 2]" 1
1234 1 27 GLN H 1 27 GLN HG2 . . 4.300 2.700 2.014 3.964 . 0 0 "[ . 1 . 2]" 1
1235 1 27 GLN H 1 27 GLN HB3 . . 3.890 3.564 3.500 3.590 . 0 0 "[ . 1 . 2]" 1
1236 1 23 LEU HB3 1 27 GLN H . . 5.190 4.472 4.244 4.590 . 0 0 "[ . 1 . 2]" 1
1237 1 25 ASP HA 1 28 LYS H . . 4.690 3.662 3.505 3.787 . 0 0 "[ . 1 . 2]" 1
1238 1 28 LYS H 1 28 LYS HB2 . . 3.650 2.378 2.240 2.478 . 0 0 "[ . 1 . 2]" 1
1239 1 28 LYS H 1 28 LYS HG3 . . 4.400 2.511 2.246 2.867 . 0 0 "[ . 1 . 2]" 1
1240 1 28 LYS H 1 29 GLN H . . 3.770 2.496 2.458 2.556 . 0 0 "[ . 1 . 2]" 1
1241 1 29 GLN H 1 30 ILE H . . 3.610 2.309 2.252 2.577 . 0 0 "[ . 1 . 2]" 1
1242 1 28 LYS HB2 1 29 GLN H . . 3.900 3.029 2.542 3.135 . 0 0 "[ . 1 . 2]" 1
1243 1 29 GLN H 1 31 LEU HB2 . . 5.500 4.585 4.501 4.762 . 0 0 "[ . 1 . 2]" 1
1244 1 31 LEU H 1 32 SER H . . 5.250 4.572 4.554 4.646 . 0 0 "[ . 1 . 2]" 1
1245 1 30 ILE HB 1 31 LEU H . . 4.620 4.418 3.947 4.459 . 0 0 "[ . 1 . 2]" 1
1246 1 31 LEU H 1 31 LEU HB2 . . 3.390 2.352 2.198 2.551 . 0 0 "[ . 1 . 2]" 1
1247 1 31 LEU H 1 31 LEU MD1 . . 5.500 4.071 3.565 4.248 . 0 0 "[ . 1 . 2]" 1
1248 1 31 LEU H 1 31 LEU MD2 . . 5.500 4.370 4.178 4.431 . 0 0 "[ . 1 . 2]" 1
1249 1 30 ILE MD 1 31 LEU H . . 4.360 3.927 2.714 4.105 . 0 0 "[ . 1 . 2]" 1
1250 1 31 LEU HG 1 32 SER H . . 4.780 2.890 2.026 3.218 . 0 0 "[ . 1 . 2]" 1
1251 1 32 SER H 1 35 THR MG . . 4.630 3.617 3.466 3.858 . 0 0 "[ . 1 . 2]" 1
1252 1 32 SER HA 1 34 THR H . . 4.440 4.167 3.957 4.321 . 0 0 "[ . 1 . 2]" 1
1253 1 32 SER H 1 35 THR H . . 4.380 4.330 4.092 4.393 0.013 20 0 "[ . 1 . 2]" 1
1254 1 34 THR H 1 35 THR H . . 3.310 2.982 2.737 3.058 . 0 0 "[ . 1 . 2]" 1
1255 1 35 THR H 1 35 THR HB . . 3.390 2.713 2.645 2.966 . 0 0 "[ . 1 . 2]" 1
1256 1 34 THR MG 1 35 THR H . . 4.640 4.324 4.305 4.334 . 0 0 "[ . 1 . 2]" 1
1257 1 35 THR H 1 73 THR MG . . 5.480 3.573 2.537 3.952 . 0 0 "[ . 1 . 2]" 1
1258 1 35 THR H 1 35 THR MG . . 4.150 3.877 3.855 3.950 . 0 0 "[ . 1 . 2]" 1
1259 1 36 ASN H 1 40 ASP HB2 . . 4.990 3.902 3.771 4.049 . 0 0 "[ . 1 . 2]" 1
1260 1 35 THR MG 1 36 ASN H . . 3.930 2.965 2.525 3.163 . 0 0 "[ . 1 . 2]" 1
1261 1 37 LEU H 1 37 LEU MD1 . . 4.510 3.121 2.005 3.537 . 0 0 "[ . 1 . 2]" 1
1262 1 37 LEU H 1 37 LEU MD2 . . 4.510 3.243 1.882 3.990 . 0 0 "[ . 1 . 2]" 1
1263 1 37 LEU H 1 38 ALA H . . 4.140 2.588 2.545 2.602 . 0 0 "[ . 1 . 2]" 1
1264 1 38 ALA H 1 38 ALA MB . . 3.330 2.140 2.073 2.262 . 0 0 "[ . 1 . 2]" 1
1265 1 37 LEU MD1 1 38 ALA H . . 5.330 4.613 3.804 4.924 . 0 0 "[ . 1 . 2]" 1
1266 1 37 LEU MD2 1 38 ALA H . . 5.330 4.766 3.707 5.236 . 0 0 "[ . 1 . 2]" 1
1267 1 38 ALA H 1 39 LYS H . . 3.940 2.454 2.391 2.559 . 0 0 "[ . 1 . 2]" 1
1268 1 39 LYS H 1 39 LYS HB3 . . 3.810 2.874 2.766 3.190 . 0 0 "[ . 1 . 2]" 1
1269 1 38 ALA MB 1 39 LYS H . . 3.730 2.542 2.424 2.611 . 0 0 "[ . 1 . 2]" 1
1270 1 38 ALA H 1 40 ASP H . . 5.100 3.934 3.913 3.971 . 0 0 "[ . 1 . 2]" 1
1271 1 39 LYS H 1 40 ASP H . . 3.630 2.480 2.442 2.525 . 0 0 "[ . 1 . 2]" 1
1272 1 40 ASP H 1 41 PHE H . . 3.900 3.062 3.033 3.087 . 0 0 "[ . 1 . 2]" 1
1273 1 36 ASN HB2 1 40 ASP H . . 5.000 4.431 4.248 4.532 . 0 0 "[ . 1 . 2]" 1
1274 1 39 LYS HB2 1 40 ASP H . . 4.100 3.405 3.033 3.509 . 0 0 "[ . 1 . 2]" 1
1275 1 39 LYS HB3 1 40 ASP H . . 4.240 2.412 2.318 2.591 . 0 0 "[ . 1 . 2]" 1
1276 1 38 ALA MB 1 40 ASP H . . 4.930 4.594 4.515 4.659 . 0 0 "[ . 1 . 2]" 1
1277 1 35 THR MG 1 40 ASP H . . 4.820 4.077 3.961 4.294 . 0 0 "[ . 1 . 2]" 1
1278 1 37 LEU HA 1 41 PHE H . . 5.080 2.926 2.799 3.077 . 0 0 "[ . 1 . 2]" 1
1279 1 35 THR MG 1 41 PHE H . . 5.350 4.467 4.324 4.936 . 0 0 "[ . 1 . 2]" 1
1280 1 42 ASN H 1 43 LEU H . . 4.180 2.835 2.701 3.041 . 0 0 "[ . 1 . 2]" 1
1281 1 41 PHE H 1 42 ASN H . . 3.740 2.522 2.481 2.529 . 0 0 "[ . 1 . 2]" 1
1282 1 43 LEU H 1 43 LEU HB2 . . 3.530 2.343 2.266 2.412 . 0 0 "[ . 1 . 2]" 1
1283 1 38 ALA MB 1 43 LEU H . . 4.600 4.080 3.790 4.247 . 0 0 "[ . 1 . 2]" 1
1284 1 43 LEU HB3 1 44 ASP H . . 4.150 2.760 2.606 2.990 . 0 0 "[ . 1 . 2]" 1
1285 1 46 LEU H 1 46 LEU HB2 . . 3.960 2.373 2.174 2.594 . 0 0 "[ . 1 . 2]" 1
1286 1 46 LEU H 1 46 LEU HG . . 3.960 2.905 2.118 3.966 0.006 19 0 "[ . 1 . 2]" 1
1287 1 46 LEU H 1 46 LEU HB3 . . 3.960 3.556 3.487 3.600 . 0 0 "[ . 1 . 2]" 1
1288 1 44 ASP H 1 47 ASP H . . 5.100 3.650 3.513 3.779 . 0 0 "[ . 1 . 2]" 1
1289 1 46 LEU H 1 47 ASP H . . 3.620 2.588 2.511 2.607 . 0 0 "[ . 1 . 2]" 1
1290 1 46 LEU HB2 1 47 ASP H . . 4.410 2.535 2.386 2.877 . 0 0 "[ . 1 . 2]" 1
1291 1 46 LEU HB3 1 47 ASP H . . 4.410 3.422 3.143 3.626 . 0 0 "[ . 1 . 2]" 1
1292 1 47 ASP HB2 1 48 PHE H . . 4.410 3.101 3.056 3.153 . 0 0 "[ . 1 . 2]" 1
1293 1 47 ASP HB3 1 48 PHE H . . 4.970 2.696 2.634 2.770 . 0 0 "[ . 1 . 2]" 1
1294 1 48 PHE H 1 49 VAL H . . 3.540 2.854 2.801 2.895 . 0 0 "[ . 1 . 2]" 1
1295 1 49 VAL H 1 49 VAL HB . . 3.290 2.545 2.512 2.581 . 0 0 "[ . 1 . 2]" 1
1296 1 49 VAL H 1 49 VAL MG1 . . 4.140 3.763 3.760 3.766 . 0 0 "[ . 1 . 2]" 1
1297 1 46 LEU HA 1 50 ASP H . . 4.880 4.468 4.364 4.585 . 0 0 "[ . 1 . 2]" 1
1298 1 50 ASP H 1 50 ASP HB2 . . 3.890 2.318 2.206 2.519 . 0 0 "[ . 1 . 2]" 1
1299 1 50 ASP H 1 50 ASP HB3 . . 3.890 3.378 2.541 3.588 . 0 0 "[ . 1 . 2]" 1
1300 1 49 VAL MG2 1 50 ASP H . . 4.390 3.780 3.750 3.818 . 0 0 "[ . 1 . 2]" 1
1301 1 51 LEU H 1 52 ILE H . . 3.640 2.788 2.768 2.806 . 0 0 "[ . 1 . 2]" 1
1302 1 50 ASP HB2 1 51 LEU H . . 4.150 3.156 2.881 4.011 . 0 0 "[ . 1 . 2]" 1
1303 1 50 ASP HB3 1 51 LEU H . . 4.150 3.510 2.832 3.857 . 0 0 "[ . 1 . 2]" 1
1304 1 51 LEU H 1 51 LEU HB2 . . 3.350 2.124 2.109 2.146 . 0 0 "[ . 1 . 2]" 1
1305 1 51 LEU H 1 51 LEU HB3 . . 3.590 3.444 3.425 3.467 . 0 0 "[ . 1 . 2]" 1
1306 1 51 LEU H 1 51 LEU HG . . 4.130 3.177 3.035 3.276 . 0 0 "[ . 1 . 2]" 1
1307 1 49 VAL HA 1 53 MET H . . 4.530 4.066 3.954 4.137 . 0 0 "[ . 1 . 2]" 1
1308 1 53 MET H 1 53 MET HG2 . . 4.140 3.135 3.104 3.151 . 0 0 "[ . 1 . 2]" 1
1309 1 52 ILE MG 1 53 MET H . . 4.260 3.963 3.954 3.980 . 0 0 "[ . 1 . 2]" 1
1310 1 52 ILE MG 1 54 SER H . . 5.500 5.501 5.454 5.531 0.031 17 0 "[ . 1 . 2]" 1
1311 1 54 SER H 1 55 LEU H . . 3.860 2.801 2.762 2.830 . 0 0 "[ . 1 . 2]" 1
1312 1 55 LEU H 1 55 LEU HB2 . . 3.670 2.158 2.148 2.169 . 0 0 "[ . 1 . 2]" 1
1313 1 55 LEU H 1 55 LEU HG . . 3.360 2.996 2.962 3.028 . 0 0 "[ . 1 . 2]" 1
1314 1 55 LEU H 1 55 LEU HB3 . . 4.120 3.476 3.468 3.485 . 0 0 "[ . 1 . 2]" 1
1315 1 55 LEU H 1 56 GLU H . . 3.770 2.621 2.594 2.687 . 0 0 "[ . 1 . 2]" 1
1316 1 56 GLU H 1 56 GLU HB2 . . 3.720 2.509 2.397 2.529 . 0 0 "[ . 1 . 2]" 1
1317 1 56 GLU H 1 56 GLU HB3 . . 3.690 2.537 2.515 2.657 . 0 0 "[ . 1 . 2]" 1
1318 1 56 GLU H 1 57 GLU H . . 3.780 2.840 2.818 2.865 . 0 0 "[ . 1 . 2]" 1
1319 1 57 GLU H 1 58 ARG H . . 3.640 2.506 2.495 2.515 . 0 0 "[ . 1 . 2]" 1
1320 1 54 SER HA 1 57 GLU H . . 4.300 3.880 3.811 3.922 . 0 0 "[ . 1 . 2]" 1
1321 1 56 GLU HB2 1 57 GLU H . . 3.980 3.758 3.668 3.775 . 0 0 "[ . 1 . 2]" 1
1322 1 56 GLU HB3 1 57 GLU H . . 3.090 2.364 2.327 2.378 . 0 0 "[ . 1 . 2]" 1
1323 1 55 LEU HA 1 58 ARG H . . 4.570 3.327 3.298 3.355 . 0 0 "[ . 1 . 2]" 1
1324 1 58 ARG H 1 58 ARG HB2 . . 3.510 2.519 2.505 2.576 . 0 0 "[ . 1 . 2]" 1
1325 1 58 ARG H 1 59 PHE H . . 3.680 2.875 2.753 2.921 . 0 0 "[ . 1 . 2]" 1
1326 1 59 PHE H 1 59 PHE HB3 . . 3.720 3.626 3.609 3.646 . 0 0 "[ . 1 . 2]" 1
1327 1 58 ARG HG2 1 59 PHE H . . 5.040 3.894 3.767 4.089 . 0 0 "[ . 1 . 2]" 1
1328 1 58 ARG HG3 1 59 PHE H . . 5.310 3.571 3.440 3.654 . 0 0 "[ . 1 . 2]" 1
1329 1 59 PHE H 1 60 SER H . . 3.240 2.493 2.446 2.620 . 0 0 "[ . 1 . 2]" 1
1330 1 60 SER H 1 60 SER HA . . 2.900 2.280 2.279 2.281 . 0 0 "[ . 1 . 2]" 1
1331 1 59 PHE HB2 1 60 SER H . . 5.140 3.797 3.779 3.893 . 0 0 "[ . 1 . 2]" 1
1332 1 59 PHE HB3 1 60 SER H . . 4.850 4.320 4.301 4.342 . 0 0 "[ . 1 . 2]" 1
1333 1 60 SER H 1 61 LEU H . . 3.920 2.759 2.747 2.768 . 0 0 "[ . 1 . 2]" 1
1334 1 56 GLU HB3 1 61 LEU H . . 5.500 5.450 5.410 5.481 . 0 0 "[ . 1 . 2]" 1
1335 1 61 LEU H 1 61 LEU HB3 . . 3.890 2.430 2.405 2.573 . 0 0 "[ . 1 . 2]" 1
1336 1 61 LEU H 1 61 LEU HB2 . . 4.110 2.636 2.483 2.659 . 0 0 "[ . 1 . 2]" 1
1337 1 63 ILE HB 1 64 SER H . . 5.260 3.951 3.856 4.047 . 0 0 "[ . 1 . 2]" 1
1338 1 63 ILE HG12 1 64 SER H . . 5.050 4.403 4.317 4.525 . 0 0 "[ . 1 . 2]" 1
1339 1 64 SER HA 1 65 ASP H . . 3.270 2.585 2.348 2.704 . 0 0 "[ . 1 . 2]" 1
1340 1 65 ASP H 1 65 ASP HB2 . . 3.770 2.333 2.103 2.568 . 0 0 "[ . 1 . 2]" 1
1341 1 65 ASP H 1 65 ASP HB3 . . 3.770 2.855 2.566 3.433 . 0 0 "[ . 1 . 2]" 1
1342 1 65 ASP H 1 66 GLU H . . 3.630 2.580 2.433 2.785 . 0 0 "[ . 1 . 2]" 1
1343 1 66 GLU H 1 67 ASP H . . 3.570 2.494 2.456 2.651 . 0 0 "[ . 1 . 2]" 1
1344 1 66 GLU H 1 66 GLU HG2 . . 4.870 4.045 1.952 4.648 . 0 0 "[ . 1 . 2]" 1
1345 1 66 GLU H 1 66 GLU HB2 . . 3.540 2.219 2.098 3.604 0.064 15 0 "[ . 1 . 2]" 1
1346 1 67 ASP H 1 68 ALA H . . 3.420 2.756 2.561 2.876 . 0 0 "[ . 1 . 2]" 1
1347 1 68 ALA H 1 69 GLN H . . 3.660 2.532 2.520 2.556 . 0 0 "[ . 1 . 2]" 1
1348 1 67 ASP HB2 1 68 ALA H . . 3.730 2.551 2.360 2.923 . 0 0 "[ . 1 . 2]" 1
1349 1 63 ILE MG 1 68 ALA H . . 3.800 3.205 2.948 3.538 . 0 0 "[ . 1 . 2]" 1
1350 1 69 GLN H 1 70 LYS H . . 3.630 2.665 2.620 2.705 . 0 0 "[ . 1 . 2]" 1
1351 1 67 ASP HA 1 69 GLN H . . 4.450 4.029 3.917 4.123 . 0 0 "[ . 1 . 2]" 1
1352 1 69 GLN H 1 69 GLN HG2 . . 5.210 4.147 3.195 4.572 . 0 0 "[ . 1 . 2]" 1
1353 1 69 GLN H 1 69 GLN HG3 . . 5.210 4.047 3.484 4.489 . 0 0 "[ . 1 . 2]" 1
1354 1 69 GLN H 1 69 GLN HB2 . . 3.370 2.079 2.061 2.107 . 0 0 "[ . 1 . 2]" 1
1355 1 70 LYS H 1 70 LYS HB2 . . 4.050 3.741 3.723 3.755 . 0 0 "[ . 1 . 2]" 1
1356 1 70 LYS H 1 71 LEU H . . 3.280 2.220 1.990 2.334 . 0 0 "[ . 1 . 2]" 1
1357 1 69 GLN HA 1 71 LEU H . . 4.640 3.964 3.805 4.401 . 0 0 "[ . 1 . 2]" 1
1358 1 68 ALA HA 1 71 LEU H . . 4.390 3.042 2.719 3.225 . 0 0 "[ . 1 . 2]" 1
1359 1 71 LEU H 1 71 LEU HB2 . . 3.450 2.583 2.384 2.722 . 0 0 "[ . 1 . 2]" 1
1360 1 68 ALA MB 1 71 LEU H . . 5.270 4.051 3.949 4.121 . 0 0 "[ . 1 . 2]" 1
1361 1 71 LEU H 1 71 LEU HB3 . . 4.070 3.729 3.593 3.814 . 0 0 "[ . 1 . 2]" 1
1362 1 71 LEU H 1 71 LEU MD1 . . 4.480 3.992 3.676 4.186 . 0 0 "[ . 1 . 2]" 1
1363 1 71 LEU H 1 71 LEU MD2 . . 4.690 3.679 3.400 3.843 . 0 0 "[ . 1 . 2]" 1
1364 1 72 GLU H 1 73 THR H . . 3.490 1.931 1.890 2.031 . 0 0 "[ . 1 . 2]" 1
1365 1 71 LEU HB3 1 72 GLU H . . 4.670 3.852 3.429 4.026 . 0 0 "[ . 1 . 2]" 1
1366 1 71 LEU MD2 1 72 GLU H . . 4.650 3.817 3.635 3.977 . 0 0 "[ . 1 . 2]" 1
1367 1 72 GLU HB2 1 73 THR H . . 4.700 3.703 3.378 4.363 . 0 0 "[ . 1 . 2]" 1
1368 1 72 GLU HB3 1 73 THR H . . 4.700 4.053 3.908 4.493 . 0 0 "[ . 1 . 2]" 1
1369 1 74 VAL H 1 75 ASP H . . 4.360 2.847 2.763 2.934 . 0 0 "[ . 1 . 2]" 1
1370 1 73 THR HB 1 75 ASP H . . 3.910 2.995 2.883 3.126 . 0 0 "[ . 1 . 2]" 1
1371 1 33 GLY HA2 1 75 ASP H . . 4.110 3.158 2.168 3.521 . 0 0 "[ . 1 . 2]" 1
1372 1 75 ASP H 1 75 ASP HB3 . . 3.510 2.686 2.541 2.807 . 0 0 "[ . 1 . 2]" 1
1373 1 74 VAL HB 1 75 ASP H . . 3.900 2.355 2.265 2.620 . 0 0 "[ . 1 . 2]" 1
1374 1 73 THR MG 1 75 ASP H . . 4.860 4.522 4.391 4.658 . 0 0 "[ . 1 . 2]" 1
1375 1 75 ASP H 1 76 ASP H . . 3.770 2.827 2.741 2.894 . 0 0 "[ . 1 . 2]" 1
1376 1 76 ASP H 1 77 ILE H . . 3.720 2.783 2.678 2.840 . 0 0 "[ . 1 . 2]" 1
1377 1 73 THR HB 1 76 ASP H . . 4.600 3.281 2.878 3.813 . 0 0 "[ . 1 . 2]" 1
1378 1 76 ASP H 1 76 ASP HB2 . . 3.990 2.301 2.106 2.405 . 0 0 "[ . 1 . 2]" 1
1379 1 76 ASP H 1 76 ASP HB3 . . 3.990 3.533 3.104 3.580 . 0 0 "[ . 1 . 2]" 1
1380 1 75 ASP HB3 1 76 ASP H . . 3.910 2.463 2.287 2.615 . 0 0 "[ . 1 . 2]" 1
1381 1 75 ASP HB2 1 76 ASP H . . 4.080 3.732 3.685 3.853 . 0 0 "[ . 1 . 2]" 1
1382 1 77 ILE H 1 78 CYS H . . 3.690 2.856 2.813 2.906 . 0 0 "[ . 1 . 2]" 1
1383 1 77 ILE H 1 79 ARG H . . 4.400 4.054 3.961 4.132 . 0 0 "[ . 1 . 2]" 1
1384 1 77 ILE H 1 77 ILE HB . . 3.410 2.563 2.547 2.590 . 0 0 "[ . 1 . 2]" 1
1385 1 77 ILE H 1 77 ILE HG13 . . 3.430 2.058 1.973 2.105 . 0 0 "[ . 1 . 2]" 1
1386 1 74 VAL HA 1 78 CYS H . . 4.670 3.745 3.522 3.882 . 0 0 "[ . 1 . 2]" 1
1387 1 77 ILE HB 1 78 CYS H . . 3.600 2.277 2.260 2.287 . 0 0 "[ . 1 . 2]" 1
1388 1 77 ILE HG13 1 78 CYS H . . 5.040 4.188 4.057 4.238 . 0 0 "[ . 1 . 2]" 1
1389 1 74 VAL MG1 1 78 CYS H . . 4.050 3.707 3.597 3.822 . 0 0 "[ . 1 . 2]" 1
1390 1 78 CYS H 1 79 ARG H . . 3.820 2.748 2.681 2.786 . 0 0 "[ . 1 . 2]" 1
1391 1 76 ASP HA 1 79 ARG H . . 4.690 3.693 3.532 3.794 . 0 0 "[ . 1 . 2]" 1
1392 1 79 ARG H 1 80 TYR HB3 . . 5.500 4.764 4.697 4.817 . 0 0 "[ . 1 . 2]" 1
1393 1 79 ARG H 1 79 ARG HB2 . . 3.580 2.414 2.151 2.692 . 0 0 "[ . 1 . 2]" 1
1394 1 79 ARG H 1 79 ARG HB3 . . 3.580 2.823 2.367 3.552 . 0 0 "[ . 1 . 2]" 1
1395 1 79 ARG H 1 79 ARG HG3 . . 4.520 4.082 2.725 4.522 0.002 1 0 "[ . 1 . 2]" 1
1396 1 5 VAL MG1 1 79 ARG H . . 5.500 3.851 2.996 4.395 . 0 0 "[ . 1 . 2]" 1
1397 1 5 VAL MG2 1 79 ARG H . . 5.500 4.424 3.749 4.879 . 0 0 "[ . 1 . 2]" 1
1398 1 79 ARG H 1 80 TYR H . . 3.390 2.692 2.586 2.786 . 0 0 "[ . 1 . 2]" 1
1399 1 80 TYR H 1 81 ILE H . . 3.660 2.640 2.542 2.746 . 0 0 "[ . 1 . 2]" 1
1400 1 80 TYR H 1 80 TYR HD1 . . 4.720 4.494 4.454 4.552 . 0 0 "[ . 1 . 2]" 1
1401 1 77 ILE HA 1 80 TYR H . . 4.170 3.558 3.499 3.649 . 0 0 "[ . 1 . 2]" 1
1402 1 80 TYR H 1 80 TYR HB3 . . 3.260 2.391 2.371 2.424 . 0 0 "[ . 1 . 2]" 1
1403 1 80 TYR H 1 80 TYR HB2 . . 3.300 2.684 2.637 2.726 . 0 0 "[ . 1 . 2]" 1
1404 1 79 ARG HB2 1 80 TYR H . . 4.380 3.514 2.602 4.010 . 0 0 "[ . 1 . 2]" 1
1405 1 80 TYR H 1 81 ILE HB . . 5.310 4.897 4.802 4.990 . 0 0 "[ . 1 . 2]" 1
1406 1 80 TYR H 1 81 ILE HG13 . . 5.130 4.278 4.174 4.400 . 0 0 "[ . 1 . 2]" 1
1407 1 80 TYR H 1 82 ALA MB . . 5.500 4.784 4.686 4.843 . 0 0 "[ . 1 . 2]" 1
1408 1 71 LEU MD2 1 80 TYR H . . 4.480 3.196 3.011 3.399 . 0 0 "[ . 1 . 2]" 1
1409 1 19 GLY H 1 20 CYS H . . 4.310 2.507 2.491 2.516 . 0 0 "[ . 1 . 2]" 1
1410 1 18 ILE HB 1 19 GLY H . . 3.490 2.401 2.366 2.484 . 0 0 "[ . 1 . 2]" 1
1411 1 18 ILE MG 1 19 GLY H . . 3.800 3.142 3.061 3.186 . 0 0 "[ . 1 . 2]" 1
1412 1 77 ILE HA 1 81 ILE H . . 5.100 4.245 4.222 4.287 . 0 0 "[ . 1 . 2]" 1
1413 1 81 ILE H 1 81 ILE HB . . 3.330 2.507 2.498 2.518 . 0 0 "[ . 1 . 2]" 1
1414 1 81 ILE H 1 81 ILE HG13 . . 3.460 2.204 2.171 2.240 . 0 0 "[ . 1 . 2]" 1
1415 1 81 ILE H 1 81 ILE HG12 . . 3.720 3.477 3.384 3.586 . 0 0 "[ . 1 . 2]" 1
1416 1 77 ILE MG 1 81 ILE H . . 4.390 3.955 3.921 4.000 . 0 0 "[ . 1 . 2]" 1
1417 1 81 ILE H 1 81 ILE MG . . 3.920 3.767 3.764 3.770 . 0 0 "[ . 1 . 2]" 1
1418 1 81 ILE H 1 82 ALA H . . 3.630 2.520 2.488 2.600 . 0 0 "[ . 1 . 2]" 1
1419 1 81 ILE HB 1 82 ALA H . . 3.470 2.701 2.446 2.746 . 0 0 "[ . 1 . 2]" 1
1420 1 9 ILE MD 1 82 ALA H . . 4.050 3.413 3.143 3.613 . 0 0 "[ . 1 . 2]" 1
1421 1 82 ALA H 1 83 SER H . . 3.470 2.655 2.608 2.742 . 0 0 "[ . 1 . 2]" 1
1422 1 83 SER H 1 84 LYS H . . 3.460 2.721 2.716 2.723 . 0 0 "[ . 1 . 2]" 1
1423 1 83 SER H 1 83 SER HB2 . . 3.490 2.549 2.162 3.505 0.015 11 0 "[ . 1 . 2]" 1
1424 1 83 SER H 1 83 SER HB3 . . 3.490 2.662 2.286 3.478 . 0 0 "[ . 1 . 2]" 1
1425 1 81 ILE HB 1 83 SER H . . 5.470 5.197 4.995 5.267 . 0 0 "[ . 1 . 2]" 1
1426 1 82 ALA MB 1 83 SER H . . 3.330 2.452 2.371 2.506 . 0 0 "[ . 1 . 2]" 1
1427 1 83 SER HB3 1 84 LYS H . . 4.670 3.101 2.941 4.275 . 0 0 "[ . 1 . 2]" 1
1428 1 84 LYS H 1 84 LYS HB2 . . 4.090 2.484 2.439 2.516 . 0 0 "[ . 1 . 2]" 1
1429 1 84 LYS H 1 84 LYS HB3 . . 3.770 3.618 3.601 3.635 . 0 0 "[ . 1 . 2]" 1
1430 1 82 ALA MB 1 84 LYS H . . 4.700 4.242 4.210 4.254 . 0 0 "[ . 1 . 2]" 1
1431 1 84 LYS H 1 84 LYS HG2 . . 4.270 2.391 2.332 2.440 . 0 0 "[ . 1 . 2]" 1
1432 1 85 SER H 1 86 SER H . . 4.470 3.565 2.743 4.481 0.011 18 0 "[ . 1 . 2]" 1
1433 1 84 LYS H 1 85 SER H . . 3.450 2.463 2.338 2.618 . 0 0 "[ . 1 . 2]" 1
1434 1 82 ALA HA 1 85 SER H . . 3.990 3.245 3.118 3.453 . 0 0 "[ . 1 . 2]" 1
1435 1 84 LYS HB2 1 85 SER H . . 4.590 2.548 2.228 2.884 . 0 0 "[ . 1 . 2]" 1
1436 1 84 LYS HB3 1 85 SER H . . 4.260 3.625 3.342 3.914 . 0 0 "[ . 1 . 2]" 1
1437 1 82 ALA MB 1 85 SER H . . 4.880 4.480 4.282 4.731 . 0 0 "[ . 1 . 2]" 1
1438 1 9 ILE MD 1 85 SER H . . 5.100 3.572 3.364 3.706 . 0 0 "[ . 1 . 2]" 1
1439 1 86 SER H 1 86 SER HB2 . . 4.160 2.997 2.240 3.751 . 0 0 "[ . 1 . 2]" 1
1440 1 86 SER H 1 86 SER HB3 . . 4.160 2.870 2.274 3.790 . 0 0 "[ . 1 . 2]" 1
1441 1 86 SER HB2 1 87 ASP H . . 5.210 3.690 2.216 4.525 . 0 0 "[ . 1 . 2]" 1
1442 1 86 SER HB3 1 87 ASP H . . 5.210 3.459 2.218 4.598 . 0 0 "[ . 1 . 2]" 1
1443 1 4 MET HA 1 5 VAL QG . . 4.930 4.655 4.327 4.824 . 0 0 "[ . 1 . 2]" 1
1444 1 4 MET QB 1 5 VAL H . . 3.480 2.902 2.375 3.517 0.037 13 0 "[ . 1 . 2]" 1
1445 1 5 VAL H 1 5 VAL QG . . 3.190 2.038 1.815 2.277 . 0 0 "[ . 1 . 2]" 1
1446 1 5 VAL HA 1 5 VAL QG . . 2.910 2.100 2.036 2.272 . 0 0 "[ . 1 . 2]" 1
1447 1 5 VAL HA 1 78 CYS QB . . 5.340 5.069 4.078 5.353 0.013 8 0 "[ . 1 . 2]" 1
1448 1 5 VAL HB 1 78 CYS QB . . 5.340 4.948 3.178 5.355 0.015 10 0 "[ . 1 . 2]" 1
1449 1 5 VAL QG 1 6 SER H . . 3.510 2.239 1.932 2.901 . 0 0 "[ . 1 . 2]" 1
1450 1 5 VAL QG 1 7 GLU H . . 5.170 4.088 3.774 4.717 . 0 0 "[ . 1 . 2]" 1
1451 1 5 VAL QG 1 7 GLU HA . . 4.720 3.797 3.516 4.712 . 0 0 "[ . 1 . 2]" 1
1452 1 5 VAL QG 1 9 ILE H . . 5.370 5.264 5.146 5.384 0.014 14 0 "[ . 1 . 2]" 1
1453 1 5 VAL QG 1 10 LYS H . . 4.430 4.132 3.938 4.440 0.010 8 0 "[ . 1 . 2]" 1
1454 1 5 VAL QG 1 10 LYS HB2 . . 4.470 3.023 2.696 4.010 . 0 0 "[ . 1 . 2]" 1
1455 1 5 VAL QG 1 78 CYS QB . . 3.430 2.465 1.915 2.674 . 0 0 "[ . 1 . 2]" 1
1456 1 5 VAL QG 1 79 ARG H . . 4.760 3.592 2.909 4.023 . 0 0 "[ . 1 . 2]" 1
1457 1 5 VAL QG 1 79 ARG HA . . 3.560 2.960 2.126 3.447 . 0 0 "[ . 1 . 2]" 1
1458 1 5 VAL QG 1 79 ARG QB . . 4.750 3.233 2.330 4.215 . 0 0 "[ . 1 . 2]" 1
1459 1 5 VAL QG 1 79 ARG QG . . 3.880 3.159 1.897 3.887 0.007 17 0 "[ . 1 . 2]" 1
1460 1 5 VAL QG 1 79 ARG QD . . 4.620 3.637 2.501 4.628 0.008 1 0 "[ . 1 . 2]" 1
1461 1 6 SER QB 1 7 GLU H . . 4.000 3.831 3.525 4.006 0.006 13 0 "[ . 1 . 2]" 1
1462 1 6 SER QB 1 9 ILE H . . 4.160 2.642 2.247 3.052 . 0 0 "[ . 1 . 2]" 1
1463 1 6 SER QB 1 9 ILE HB . . 3.740 2.653 2.490 3.310 . 0 0 "[ . 1 . 2]" 1
1464 1 6 SER QB 1 9 ILE HG12 . . 4.950 3.824 3.583 4.088 . 0 0 "[ . 1 . 2]" 1
1465 1 6 SER QB 1 9 ILE HG13 . . 4.320 2.267 2.001 2.628 . 0 0 "[ . 1 . 2]" 1
1466 1 6 SER QB 1 9 ILE MD . . 3.550 2.560 2.430 2.794 . 0 0 "[ . 1 . 2]" 1
1467 1 6 SER QB 1 10 LYS H . . 5.340 3.637 3.398 4.064 . 0 0 "[ . 1 . 2]" 1
1468 1 7 GLU H 1 7 GLU QB . . 3.350 2.287 2.147 2.531 . 0 0 "[ . 1 . 2]" 1
1469 1 7 GLU QB 1 8 GLU H . . 3.380 2.936 2.697 3.405 0.025 16 0 "[ . 1 . 2]" 1
1470 1 8 GLU H 1 8 GLU QG . . 4.570 3.982 3.878 4.045 . 0 0 "[ . 1 . 2]" 1
1471 1 8 GLU HA 1 8 GLU QG . . 3.070 2.481 2.191 2.717 . 0 0 "[ . 1 . 2]" 1
1472 1 8 GLU QG 1 9 ILE H . . 4.160 3.634 3.345 3.898 . 0 0 "[ . 1 . 2]" 1
1473 1 8 GLU QG 1 11 ALA H . . 5.340 5.239 5.114 5.338 . 0 0 "[ . 1 . 2]" 1
1474 1 8 GLU QG 1 11 ALA MB . . 4.730 4.545 4.446 4.634 . 0 0 "[ . 1 . 2]" 1
1475 1 9 ILE MD 1 85 SER QB . . 3.470 2.158 1.967 2.846 . 0 0 "[ . 1 . 2]" 1
1476 1 10 LYS H 1 10 LYS QD . . 4.690 4.471 4.452 4.490 . 0 0 "[ . 1 . 2]" 1
1477 1 10 LYS HA 1 78 CYS QB . . 4.780 3.606 3.512 3.719 . 0 0 "[ . 1 . 2]" 1
1478 1 10 LYS HB2 1 10 LYS QD . . 3.660 3.261 3.257 3.265 . 0 0 "[ . 1 . 2]" 1
1479 1 10 LYS HB2 1 78 CYS QB . . 4.560 4.574 4.557 4.589 0.029 8 0 "[ . 1 . 2]" 1
1480 1 10 LYS QD 1 14 MET HG2 . . 3.760 2.689 2.607 2.801 . 0 0 "[ . 1 . 2]" 1
1481 1 10 LYS QD 1 78 CYS QB . . 4.760 4.764 4.752 4.773 0.013 6 0 "[ . 1 . 2]" 1
1482 1 12 GLN HA 1 58 ARG QD . . 5.150 5.037 4.884 5.181 0.031 17 0 "[ . 1 . 2]" 1
1483 1 12 GLN HB3 1 58 ARG QD . . 4.020 3.856 3.729 3.997 . 0 0 "[ . 1 . 2]" 1
1484 1 13 VAL HA 1 16 SER QB . . 3.560 3.049 2.766 3.477 . 0 0 "[ . 1 . 2]" 1
1485 1 13 VAL HB 1 78 CYS QB . . 5.340 4.374 4.156 4.650 . 0 0 "[ . 1 . 2]" 1
1486 1 13 VAL MG2 1 78 CYS QB . . 4.450 2.592 2.401 2.831 . 0 0 "[ . 1 . 2]" 1
1487 1 15 GLU H 1 15 GLU QG . . 4.140 3.965 3.939 4.006 . 0 0 "[ . 1 . 2]" 1
1488 1 15 GLU HA 1 15 GLU QG . . 2.800 2.539 2.414 2.812 0.012 19 0 "[ . 1 . 2]" 1
1489 1 15 GLU HB3 1 16 SER QB . . 4.910 4.075 3.996 4.476 . 0 0 "[ . 1 . 2]" 1
1490 1 15 GLU QG 1 16 SER H . . 4.110 3.636 3.533 3.736 . 0 0 "[ . 1 . 2]" 1
1491 1 15 GLU QG 1 16 SER HA . . 4.590 3.589 3.461 3.703 . 0 0 "[ . 1 . 2]" 1
1492 1 15 GLU QG 1 18 ILE HB . . 4.830 4.429 4.319 4.663 . 0 0 "[ . 1 . 2]" 1
1493 1 15 GLU QG 1 18 ILE MD . . 4.750 4.149 3.980 4.539 . 0 0 "[ . 1 . 2]" 1
1494 1 16 SER H 1 16 SER QB . . 3.090 2.259 2.162 2.364 . 0 0 "[ . 1 . 2]" 1
1495 1 16 SER QB 1 17 VAL H . . 3.600 2.768 2.373 3.372 . 0 0 "[ . 1 . 2]" 1
1496 1 16 SER QB 1 55 LEU MD1 . . 4.150 3.747 3.527 4.140 . 0 0 "[ . 1 . 2]" 1
1497 1 16 SER QB 1 55 LEU MD2 . . 3.630 3.158 3.080 3.264 . 0 0 "[ . 1 . 2]" 1
1498 1 17 VAL HA 1 20 CYS QB . . 3.760 2.028 1.961 2.252 . 0 0 "[ . 1 . 2]" 1
1499 1 18 ILE MG 1 28 LYS QG . . 3.750 2.932 2.701 3.250 . 0 0 "[ . 1 . 2]" 1
1500 1 18 ILE MD 1 28 LYS QG . . 3.980 3.069 2.665 3.376 . 0 0 "[ . 1 . 2]" 1
1501 1 19 GLY H 1 20 CYS QB . . 5.340 4.223 4.165 4.242 . 0 0 "[ . 1 . 2]" 1
1502 1 19 GLY HA2 1 20 CYS QB . . 5.340 5.178 5.141 5.194 . 0 0 "[ . 1 . 2]" 1
1503 1 19 GLY HA3 1 20 CYS QB . . 5.340 4.817 4.678 4.864 . 0 0 "[ . 1 . 2]" 1
1504 1 20 CYS QB 1 21 LEU MD2 . . 3.930 2.019 1.860 2.078 . 0 0 "[ . 1 . 2]" 1
1505 1 20 CYS QB 1 51 LEU HB2 . . 5.180 4.873 4.719 5.207 0.027 17 0 "[ . 1 . 2]" 1
1506 1 20 CYS QB 1 51 LEU HB3 . . 5.340 5.002 4.915 5.179 . 0 0 "[ . 1 . 2]" 1
1507 1 20 CYS QB 1 51 LEU HG . . 4.990 2.585 2.396 3.074 . 0 0 "[ . 1 . 2]" 1
1508 1 22 LYS HA 1 22 LYS QG . . 3.350 2.693 2.357 3.050 . 0 0 "[ . 1 . 2]" 1
1509 1 23 LEU HA 1 27 GLN QB . . 4.370 3.279 3.183 3.350 . 0 0 "[ . 1 . 2]" 1
1510 1 23 LEU HB3 1 27 GLN QB . . 4.020 2.110 1.996 2.355 . 0 0 "[ . 1 . 2]" 1
1511 1 23 LEU HB3 1 27 GLN QG . . 4.460 3.536 3.370 3.850 . 0 0 "[ . 1 . 2]" 1
1512 1 23 LEU HG 1 28 LYS QG . . 4.370 3.821 3.570 4.111 . 0 0 "[ . 1 . 2]" 1
1513 1 23 LEU MD1 1 27 GLN QE . . 4.470 3.423 2.923 4.363 . 0 0 "[ . 1 . 2]" 1
1514 1 24 ASN H 1 24 ASN QB . . 3.610 2.621 2.247 3.086 . 0 0 "[ . 1 . 2]" 1
1515 1 24 ASN H 1 27 GLN QB . . 3.530 2.077 1.927 2.399 . 0 0 "[ . 1 . 2]" 1
1516 1 24 ASN QB 1 25 ASP H . . 3.300 2.173 1.942 3.232 . 0 0 "[ . 1 . 2]" 1
1517 1 24 ASN QB 1 25 ASP HA . . 5.060 4.369 4.262 4.915 . 0 0 "[ . 1 . 2]" 1
1518 1 24 ASN QB 1 26 GLU H . . 4.390 2.689 2.401 2.936 . 0 0 "[ . 1 . 2]" 1
1519 1 24 ASN QD 1 27 GLN QG . . 4.900 3.454 1.967 4.928 0.028 20 0 "[ . 1 . 2]" 1
1520 1 25 ASP H 1 25 ASP QB . . 3.340 2.595 2.112 2.693 . 0 0 "[ . 1 . 2]" 1
1521 1 25 ASP HA 1 28 LYS QG . . 4.340 3.954 3.516 4.269 . 0 0 "[ . 1 . 2]" 1
1522 1 25 ASP QB 1 26 GLU H . . 3.790 2.749 2.434 3.451 . 0 0 "[ . 1 . 2]" 1
1523 1 25 ASP QB 1 26 GLU HA . . 4.780 3.920 3.794 4.590 . 0 0 "[ . 1 . 2]" 1
1524 1 25 ASP QB 1 29 GLN H . . 5.340 5.099 4.764 5.350 0.010 11 0 "[ . 1 . 2]" 1
1525 1 26 GLU H 1 26 GLU QB . . 3.100 2.334 2.132 2.608 . 0 0 "[ . 1 . 2]" 1
1526 1 26 GLU H 1 26 GLU QG . . 4.260 2.773 2.049 3.978 . 0 0 "[ . 1 . 2]" 1
1527 1 26 GLU HA 1 26 GLU QG . . 3.560 2.448 2.167 2.961 . 0 0 "[ . 1 . 2]" 1
1528 1 26 GLU HA 1 29 GLN QG . . 3.850 3.332 1.963 3.847 . 0 0 "[ . 1 . 2]" 1
1529 1 26 GLU QG 1 27 GLN H . . 4.890 4.031 3.477 4.449 . 0 0 "[ . 1 . 2]" 1
1530 1 27 GLN H 1 27 GLN QB . . 3.370 2.463 2.174 2.620 . 0 0 "[ . 1 . 2]" 1
1531 1 27 GLN H 1 27 GLN QG . . 3.480 2.550 2.003 3.504 0.024 6 0 "[ . 1 . 2]" 1
1532 1 27 GLN H 1 28 LYS QG . . 5.340 4.552 4.093 4.800 . 0 0 "[ . 1 . 2]" 1
1533 1 27 GLN HA 1 30 ILE QG . . 3.650 1.961 1.935 2.047 . 0 0 "[ . 1 . 2]" 1
1534 1 27 GLN QB 1 28 LYS H . . 4.190 2.659 2.418 2.934 . 0 0 "[ . 1 . 2]" 1
1535 1 27 GLN QB 1 28 LYS QG . . 4.830 3.239 2.973 3.600 . 0 0 "[ . 1 . 2]" 1
1536 1 27 GLN QB 1 41 PHE HZ . . 4.320 3.008 2.714 3.489 . 0 0 "[ . 1 . 2]" 1
1537 1 27 GLN QB 1 41 PHE HE1 . . 3.820 2.516 2.127 3.239 . 0 0 "[ . 1 . 2]" 1
1538 1 27 GLN QG 1 30 ILE MD . . 4.680 3.978 2.944 4.611 . 0 0 "[ . 1 . 2]" 1
1539 1 27 GLN QG 1 41 PHE HE1 . . 4.730 2.935 1.983 3.755 . 0 0 "[ . 1 . 2]" 1
1540 1 27 GLN QG 1 41 PHE HD1 . . 4.150 3.638 2.862 4.157 0.007 10 0 "[ . 1 . 2]" 1
1541 1 28 LYS H 1 28 LYS QG . . 3.790 2.472 2.223 2.780 . 0 0 "[ . 1 . 2]" 1
1542 1 28 LYS H 1 29 GLN QB . . 4.920 4.448 4.288 4.757 . 0 0 "[ . 1 . 2]" 1
1543 1 28 LYS HA 1 28 LYS QG . . 3.300 2.404 2.221 2.496 . 0 0 "[ . 1 . 2]" 1
1544 1 28 LYS HA 1 31 LEU QD . . 4.240 2.620 2.405 2.938 . 0 0 "[ . 1 . 2]" 1
1545 1 28 LYS HB2 1 29 GLN QG . . 4.570 3.618 3.242 4.283 . 0 0 "[ . 1 . 2]" 1
1546 1 28 LYS HB3 1 29 GLN QG . . 5.340 4.297 3.790 5.346 0.006 5 0 "[ . 1 . 2]" 1
1547 1 28 LYS HB3 1 31 LEU QD . . 4.800 4.375 4.084 4.629 . 0 0 "[ . 1 . 2]" 1
1548 1 28 LYS QG 1 29 GLN H . . 5.340 4.289 4.112 4.422 . 0 0 "[ . 1 . 2]" 1
1549 1 29 GLN H 1 29 GLN QB . . 2.960 2.309 2.182 2.548 . 0 0 "[ . 1 . 2]" 1
1550 1 29 GLN H 1 29 GLN QG . . 3.930 2.767 2.260 3.078 . 0 0 "[ . 1 . 2]" 1
1551 1 29 GLN H 1 30 ILE QG . . 5.340 3.627 3.560 3.965 . 0 0 "[ . 1 . 2]" 1
1552 1 29 GLN HA 1 29 GLN QB . . 2.580 2.419 2.180 2.489 . 0 0 "[ . 1 . 2]" 1
1553 1 29 GLN HA 1 29 GLN QG . . 3.440 2.451 2.137 3.339 . 0 0 "[ . 1 . 2]" 1
1554 1 29 GLN QB 1 30 ILE H . . 3.790 2.904 2.328 3.625 . 0 0 "[ . 1 . 2]" 1
1555 1 29 GLN QB 1 30 ILE MG . . 3.920 2.946 2.834 3.555 . 0 0 "[ . 1 . 2]" 1
1556 1 29 GLN QE 1 29 GLN QG . . 3.100 2.183 2.067 2.435 . 0 0 "[ . 1 . 2]" 1
1557 1 29 GLN QG 1 30 ILE H . . 4.640 4.191 2.276 4.475 . 0 0 "[ . 1 . 2]" 1
1558 1 29 GLN QG 1 30 ILE MG . . 4.750 4.521 2.093 4.765 0.015 13 0 "[ . 1 . 2]" 1
1559 1 30 ILE HA 1 30 ILE QG . . 3.600 3.361 3.354 3.370 . 0 0 "[ . 1 . 2]" 1
1560 1 30 ILE QG 1 30 ILE MG . . 3.180 2.007 1.922 2.089 . 0 0 "[ . 1 . 2]" 1
1561 1 31 LEU H 1 31 LEU QD . . 4.760 3.741 3.376 3.816 . 0 0 "[ . 1 . 2]" 1
1562 1 31 LEU HA 1 31 LEU QD . . 3.160 2.787 1.960 2.916 . 0 0 "[ . 1 . 2]" 1
1563 1 31 LEU QD 1 32 SER H . . 3.510 2.219 2.042 2.754 . 0 0 "[ . 1 . 2]" 1
1564 1 31 LEU QD 1 35 THR H . . 4.870 4.582 4.312 4.885 0.015 11 0 "[ . 1 . 2]" 1
1565 1 31 LEU QD 1 35 THR HB . . 3.530 3.380 3.116 3.534 0.004 13 0 "[ . 1 . 2]" 1
1566 1 31 LEU QD 1 41 PHE HE2 . . 3.270 2.290 1.892 2.760 . 0 0 "[ . 1 . 2]" 1
1567 1 31 LEU QD 1 41 PHE HZ . . 3.550 2.189 1.875 2.625 . 0 0 "[ . 1 . 2]" 1
1568 1 32 SER QB 1 34 THR H . . 4.130 3.522 3.252 3.661 . 0 0 "[ . 1 . 2]" 1
1569 1 35 THR HA 1 36 ASN QB . . 4.400 4.083 4.057 4.101 . 0 0 "[ . 1 . 2]" 1
1570 1 36 ASN HA 1 37 LEU QD . . 5.440 3.985 3.086 4.268 . 0 0 "[ . 1 . 2]" 1
1571 1 36 ASN HA 1 72 GLU QB . . 5.000 4.015 3.327 4.476 . 0 0 "[ . 1 . 2]" 1
1572 1 36 ASN QB 1 36 ASN QD . . 3.060 2.192 2.101 2.220 . 0 0 "[ . 1 . 2]" 1
1573 1 36 ASN QB 1 38 ALA MB . . 4.420 4.061 3.931 4.207 . 0 0 "[ . 1 . 2]" 1
1574 1 36 ASN QB 1 39 LYS H . . 4.540 2.685 2.485 2.840 . 0 0 "[ . 1 . 2]" 1
1575 1 36 ASN QB 1 39 LYS HB2 . . 3.650 2.933 2.341 3.156 . 0 0 "[ . 1 . 2]" 1
1576 1 36 ASN QB 1 40 ASP H . . 4.260 2.681 2.537 2.812 . 0 0 "[ . 1 . 2]" 1
1577 1 36 ASN QB 1 73 THR MG . . 3.500 2.583 2.237 3.191 . 0 0 "[ . 1 . 2]" 1
1578 1 36 ASN QD 1 39 LYS HB2 . . 5.340 2.699 2.288 3.336 . 0 0 "[ . 1 . 2]" 1
1579 1 36 ASN QD 1 39 LYS HB3 . . 5.340 3.616 3.092 4.252 . 0 0 "[ . 1 . 2]" 1
1580 1 36 ASN QD 1 39 LYS QG . . 5.180 4.258 3.650 4.945 . 0 0 "[ . 1 . 2]" 1
1581 1 36 ASN QD 1 39 LYS QD . . 4.420 3.570 2.482 4.398 . 0 0 "[ . 1 . 2]" 1
1582 1 36 ASN QD 1 72 GLU QB . . 3.920 2.229 1.919 2.959 . 0 0 "[ . 1 . 2]" 1
1583 1 36 ASN QD 1 72 GLU QG . . 4.760 3.205 2.674 4.071 . 0 0 "[ . 1 . 2]" 1
1584 1 37 LEU H 1 37 LEU QD . . 3.720 2.680 1.835 2.946 . 0 0 "[ . 1 . 2]" 1
1585 1 37 LEU HA 1 37 LEU QD . . 2.920 2.344 1.930 3.092 0.172 10 0 "[ . 1 . 2]" 1
1586 1 37 LEU QD 1 38 ALA H . . 4.460 4.111 3.498 4.267 . 0 0 "[ . 1 . 2]" 1
1587 1 37 LEU QD 1 41 PHE H . . 5.440 4.469 4.148 5.139 . 0 0 "[ . 1 . 2]" 1
1588 1 37 LEU QD 1 41 PHE HD2 . . 3.300 2.625 2.401 2.906 . 0 0 "[ . 1 . 2]" 1
1589 1 37 LEU QD 1 41 PHE HE2 . . 2.990 1.918 1.870 2.058 . 0 0 "[ . 1 . 2]" 1
1590 1 37 LEU QD 1 73 THR HA . . 4.240 3.753 2.033 4.251 0.011 1 0 "[ . 1 . 2]" 1
1591 1 37 LEU QD 1 74 VAL H . . 4.860 3.137 1.893 3.524 . 0 0 "[ . 1 . 2]" 1
1592 1 38 ALA MB 1 72 GLU QG . . 5.340 4.857 4.437 5.345 0.005 19 0 "[ . 1 . 2]" 1
1593 1 39 LYS H 1 39 LYS QD . . 5.140 4.317 3.341 4.743 . 0 0 "[ . 1 . 2]" 1
1594 1 39 LYS HA 1 39 LYS QD . . 4.570 3.475 2.077 4.110 . 0 0 "[ . 1 . 2]" 1
1595 1 39 LYS HB2 1 39 LYS QE . . 5.040 2.598 2.093 3.753 . 0 0 "[ . 1 . 2]" 1
1596 1 41 PHE HA 1 42 ASN QB . . 4.760 3.950 3.905 4.005 . 0 0 "[ . 1 . 2]" 1
1597 1 42 ASN QB 1 42 ASN QD . . 3.080 2.219 2.066 2.410 . 0 0 "[ . 1 . 2]" 1
1598 1 42 ASN QB 1 43 LEU H . . 4.250 3.889 3.834 3.932 . 0 0 "[ . 1 . 2]" 1
1599 1 42 ASN QB 1 43 LEU MD2 . . 5.330 5.282 5.182 5.330 . 0 0 "[ . 1 . 2]" 1
1600 1 43 LEU HA 1 44 ASP QB . . 4.500 4.031 4.002 4.059 . 0 0 "[ . 1 . 2]" 1
1601 1 43 LEU HB3 1 44 ASP QB . . 4.730 4.570 4.504 4.654 . 0 0 "[ . 1 . 2]" 1
1602 1 44 ASP QB 1 46 LEU H . . 4.210 2.479 2.196 2.755 . 0 0 "[ . 1 . 2]" 1
1603 1 44 ASP QB 1 46 LEU QB . . 4.310 2.793 2.599 2.935 . 0 0 "[ . 1 . 2]" 1
1604 1 44 ASP QB 1 47 ASP H . . 4.220 2.596 2.466 2.795 . 0 0 "[ . 1 . 2]" 1
1605 1 46 LEU H 1 46 LEU QB . . 3.250 2.338 2.153 2.538 . 0 0 "[ . 1 . 2]" 1
1606 1 46 LEU HA 1 46 LEU QD . . 2.990 2.240 1.935 2.646 . 0 0 "[ . 1 . 2]" 1
1607 1 46 LEU QB 1 46 LEU QD . . 2.870 1.904 1.757 2.039 . 0 0 "[ . 1 . 2]" 1
1608 1 46 LEU QB 1 47 ASP H . . 3.830 2.462 2.355 2.731 . 0 0 "[ . 1 . 2]" 1
1609 1 46 LEU QB 1 47 ASP HA . . 4.650 3.812 3.772 3.910 . 0 0 "[ . 1 . 2]" 1
1610 1 46 LEU QB 1 47 ASP HB3 . . 5.340 5.258 5.213 5.337 . 0 0 "[ . 1 . 2]" 1
1611 1 46 LEU QB 1 49 VAL HB . . 5.340 4.570 4.352 4.889 . 0 0 "[ . 1 . 2]" 1
1612 1 46 LEU QD 1 47 ASP H . . 4.750 3.889 3.808 4.067 . 0 0 "[ . 1 . 2]" 1
1613 1 46 LEU QD 1 49 VAL HB . . 4.900 4.239 3.601 4.902 0.002 14 0 "[ . 1 . 2]" 1
1614 1 48 PHE HD2 1 52 ILE QG . . 4.790 3.904 3.660 4.054 . 0 0 "[ . 1 . 2]" 1
1615 1 49 VAL HA 1 53 MET QG . . 4.650 3.659 3.511 3.692 . 0 0 "[ . 1 . 2]" 1
1616 1 49 VAL MG1 1 53 MET QG . . 3.360 2.320 2.034 2.443 . 0 0 "[ . 1 . 2]" 1
1617 1 50 ASP H 1 50 ASP QB . . 3.180 2.265 2.184 2.426 . 0 0 "[ . 1 . 2]" 1
1618 1 50 ASP QB 1 51 LEU H . . 3.480 2.837 2.778 2.893 . 0 0 "[ . 1 . 2]" 1
1619 1 50 ASP QB 1 51 LEU HA . . 4.470 3.949 3.904 4.168 . 0 0 "[ . 1 . 2]" 1
1620 1 51 LEU H 1 52 ILE QG . . 5.340 3.681 3.636 3.736 . 0 0 "[ . 1 . 2]" 1
1621 1 52 ILE H 1 52 ILE QG . . 3.410 1.924 1.907 1.942 . 0 0 "[ . 1 . 2]" 1
1622 1 52 ILE HA 1 52 ILE QG . . 3.400 3.306 3.305 3.308 . 0 0 "[ . 1 . 2]" 1
1623 1 52 ILE HB 1 53 MET QG . . 5.200 4.403 4.378 4.478 . 0 0 "[ . 1 . 2]" 1
1624 1 52 ILE QG 1 52 ILE MG . . 3.260 2.355 2.307 2.368 . 0 0 "[ . 1 . 2]" 1
1625 1 53 MET H 1 53 MET QB . . 3.070 2.302 2.291 2.317 . 0 0 "[ . 1 . 2]" 1
1626 1 53 MET H 1 53 MET QG . . 3.440 2.655 2.623 2.673 . 0 0 "[ . 1 . 2]" 1
1627 1 53 MET HA 1 53 MET QG . . 3.140 2.222 2.213 2.233 . 0 0 "[ . 1 . 2]" 1
1628 1 53 MET HA 1 56 GLU QG . . 4.830 4.343 4.280 4.467 . 0 0 "[ . 1 . 2]" 1
1629 1 53 MET QB 1 54 SER H . . 3.560 2.604 2.563 2.656 . 0 0 "[ . 1 . 2]" 1
1630 1 53 MET QB 1 57 GLU H . . 5.340 4.668 4.629 4.703 . 0 0 "[ . 1 . 2]" 1
1631 1 53 MET QG 1 54 SER H . . 4.920 4.181 4.149 4.204 . 0 0 "[ . 1 . 2]" 1
1632 1 54 SER H 1 54 SER QB . . 3.680 2.249 2.167 2.426 . 0 0 "[ . 1 . 2]" 1
1633 1 54 SER HA 1 57 GLU QG . . 4.310 2.374 2.225 2.424 . 0 0 "[ . 1 . 2]" 1
1634 1 54 SER QB 1 55 LEU H . . 3.870 2.544 2.348 3.257 . 0 0 "[ . 1 . 2]" 1
1635 1 55 LEU HA 1 58 ARG QB . . 3.570 2.172 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
1636 1 55 LEU HG 1 58 ARG QB . . 4.370 4.349 4.306 4.376 0.006 2 0 "[ . 1 . 2]" 1
1637 1 55 LEU MD2 1 58 ARG QB . . 4.120 2.782 2.704 2.866 . 0 0 "[ . 1 . 2]" 1
1638 1 55 LEU MD2 1 58 ARG QD . . 4.840 4.141 3.825 4.587 . 0 0 "[ . 1 . 2]" 1
1639 1 56 GLU H 1 56 GLU QG . . 4.520 3.968 3.954 3.970 . 0 0 "[ . 1 . 2]" 1
1640 1 56 GLU HA 1 56 GLU QG . . 3.630 2.512 2.293 2.533 . 0 0 "[ . 1 . 2]" 1
1641 1 56 GLU QG 1 57 GLU H . . 5.020 3.479 3.418 4.060 . 0 0 "[ . 1 . 2]" 1
1642 1 56 GLU QG 1 61 LEU HG . . 4.260 4.096 3.663 4.178 . 0 0 "[ . 1 . 2]" 1
1643 1 56 GLU QG 1 62 GLU HA . . 4.570 3.239 3.067 3.325 . 0 0 "[ . 1 . 2]" 1
1644 1 56 GLU QG 1 63 ILE HB . . 4.580 3.227 2.265 3.435 . 0 0 "[ . 1 . 2]" 1
1645 1 56 GLU QG 1 63 ILE HG12 . . 4.680 4.308 3.754 4.567 . 0 0 "[ . 1 . 2]" 1
1646 1 56 GLU QG 1 63 ILE HG13 . . 4.370 2.672 2.317 2.962 . 0 0 "[ . 1 . 2]" 1
1647 1 56 GLU QG 1 63 ILE MD . . 3.670 3.114 2.596 3.349 . 0 0 "[ . 1 . 2]" 1
1648 1 57 GLU QG 1 58 ARG H . . 4.120 2.311 2.265 2.526 . 0 0 "[ . 1 . 2]" 1
1649 1 57 GLU QG 1 58 ARG HA . . 4.110 3.079 3.032 3.142 . 0 0 "[ . 1 . 2]" 1
1650 1 58 ARG H 1 58 ARG QD . . 4.500 4.370 4.183 4.507 0.007 17 0 "[ . 1 . 2]" 1
1651 1 58 ARG HA 1 58 ARG QD . . 3.300 2.925 2.346 3.310 0.010 20 0 "[ . 1 . 2]" 1
1652 1 58 ARG QB 1 58 ARG QD . . 3.160 2.189 2.011 2.674 . 0 0 "[ . 1 . 2]" 1
1653 1 58 ARG QB 1 59 PHE H . . 3.640 2.234 2.175 2.286 . 0 0 "[ . 1 . 2]" 1
1654 1 58 ARG QB 1 59 PHE HD1 . . 3.570 2.512 2.363 2.604 . 0 0 "[ . 1 . 2]" 1
1655 1 58 ARG QB 1 59 PHE HE1 . . 4.690 3.705 3.518 3.804 . 0 0 "[ . 1 . 2]" 1
1656 1 58 ARG QD 1 59 PHE HE1 . . 4.700 4.321 4.199 4.474 . 0 0 "[ . 1 . 2]" 1
1657 1 62 GLU H 1 62 GLU QB . . 3.630 2.468 2.293 2.938 . 0 0 "[ . 1 . 2]" 1
1658 1 62 GLU H 1 62 GLU QG . . 4.060 3.193 2.044 4.048 . 0 0 "[ . 1 . 2]" 1
1659 1 63 ILE MG 1 64 SER QB . . 5.240 4.189 4.013 4.396 . 0 0 "[ . 1 . 2]" 1
1660 1 64 SER H 1 64 SER QB . . 3.420 2.761 2.606 3.086 . 0 0 "[ . 1 . 2]" 1
1661 1 64 SER QB 1 66 GLU H . . 3.450 2.672 2.300 2.881 . 0 0 "[ . 1 . 2]" 1
1662 1 65 ASP H 1 65 ASP QB . . 3.150 2.208 2.084 2.287 . 0 0 "[ . 1 . 2]" 1
1663 1 65 ASP QB 1 66 GLU H . . 3.780 2.629 2.396 2.798 . 0 0 "[ . 1 . 2]" 1
1664 1 66 GLU H 1 66 GLU QB . . 3.040 2.145 2.072 2.584 . 0 0 "[ . 1 . 2]" 1
1665 1 66 GLU HA 1 66 GLU QG . . 3.420 2.285 2.093 3.338 . 0 0 "[ . 1 . 2]" 1
1666 1 66 GLU QB 1 67 ASP HB2 . . 5.340 4.974 4.770 5.363 0.023 15 0 "[ . 1 . 2]" 1
1667 1 66 GLU QG 1 69 GLN H . . 5.340 5.036 4.576 5.307 . 0 0 "[ . 1 . 2]" 1
1668 1 67 ASP HA 1 70 LYS QB . . 4.950 4.644 4.452 4.778 . 0 0 "[ . 1 . 2]" 1
1669 1 67 ASP HA 1 70 LYS QG . . 4.830 3.246 2.664 3.785 . 0 0 "[ . 1 . 2]" 1
1670 1 68 ALA HA 1 70 LYS QG . . 4.330 4.117 3.992 4.204 . 0 0 "[ . 1 . 2]" 1
1671 1 69 GLN H 1 69 GLN QG . . 4.470 3.587 3.100 3.981 . 0 0 "[ . 1 . 2]" 1
1672 1 69 GLN HA 1 69 GLN QG . . 3.720 2.292 2.093 2.623 . 0 0 "[ . 1 . 2]" 1
1673 1 70 LYS H 1 70 LYS QB . . 3.530 2.784 2.695 2.856 . 0 0 "[ . 1 . 2]" 1
1674 1 70 LYS H 1 70 LYS QG . . 3.680 2.345 2.271 2.437 . 0 0 "[ . 1 . 2]" 1
1675 1 70 LYS QB 1 71 LEU MD2 . . 4.830 4.064 3.765 4.383 . 0 0 "[ . 1 . 2]" 1
1676 1 70 LYS QG 1 71 LEU H . . 3.190 2.987 2.334 3.209 0.019 8 0 "[ . 1 . 2]" 1
1677 1 70 LYS QG 1 71 LEU HA . . 4.130 3.748 3.370 3.934 . 0 0 "[ . 1 . 2]" 1
1678 1 70 LYS QG 1 71 LEU HB2 . . 4.240 4.117 3.892 4.234 . 0 0 "[ . 1 . 2]" 1
1679 1 70 LYS QG 1 71 LEU HB3 . . 4.730 4.705 4.565 4.764 0.034 15 0 "[ . 1 . 2]" 1
1680 1 70 LYS QG 1 71 LEU HG . . 2.640 2.218 2.057 2.426 . 0 0 "[ . 1 . 2]" 1
1681 1 70 LYS QG 1 71 LEU MD2 . . 3.150 2.646 2.461 2.909 . 0 0 "[ . 1 . 2]" 1
1682 1 70 LYS QG 1 80 TYR HB2 . . 5.340 4.492 4.120 4.930 . 0 0 "[ . 1 . 2]" 1
1683 1 70 LYS QG 1 80 TYR HD2 . . 4.730 4.241 3.789 4.734 0.004 2 0 "[ . 1 . 2]" 1
1684 1 71 LEU HA 1 76 ASP QB . . 3.390 2.473 2.204 2.796 . 0 0 "[ . 1 . 2]" 1
1685 1 71 LEU HB2 1 76 ASP QB . . 5.340 4.966 4.647 5.310 . 0 0 "[ . 1 . 2]" 1
1686 1 71 LEU HB3 1 76 ASP QB . . 4.510 3.907 3.359 4.281 . 0 0 "[ . 1 . 2]" 1
1687 1 72 GLU H 1 72 GLU QB . . 3.370 3.066 2.949 3.225 . 0 0 "[ . 1 . 2]" 1
1688 1 72 GLU H 1 72 GLU QG . . 3.540 2.175 1.946 2.357 . 0 0 "[ . 1 . 2]" 1
1689 1 72 GLU HA 1 72 GLU QG . . 3.640 3.380 3.322 3.462 . 0 0 "[ . 1 . 2]" 1
1690 1 72 GLU QB 1 73 THR H . . 3.910 3.426 3.187 3.942 0.032 19 0 "[ . 1 . 2]" 1
1691 1 72 GLU QB 1 73 THR MG . . 3.850 3.648 3.458 3.862 0.012 10 0 "[ . 1 . 2]" 1
1692 1 72 GLU QG 1 73 THR HA . . 4.820 3.858 3.572 4.831 0.011 10 0 "[ . 1 . 2]" 1
1693 1 72 GLU QG 1 76 ASP QB . . 4.760 3.736 3.393 4.144 . 0 0 "[ . 1 . 2]" 1
1694 1 73 THR H 1 76 ASP QB . . 3.420 2.504 2.343 2.782 . 0 0 "[ . 1 . 2]" 1
1695 1 73 THR MG 1 76 ASP QB . . 4.720 3.967 3.599 4.177 . 0 0 "[ . 1 . 2]" 1
1696 1 75 ASP HA 1 78 CYS QB . . 3.830 2.951 2.835 3.081 . 0 0 "[ . 1 . 2]" 1
1697 1 76 ASP H 1 76 ASP QB . . 3.360 2.273 2.074 2.370 . 0 0 "[ . 1 . 2]" 1
1698 1 76 ASP HA 1 79 ARG QB . . 3.740 2.632 2.482 2.824 . 0 0 "[ . 1 . 2]" 1
1699 1 76 ASP HA 1 79 ARG QG . . 5.300 4.140 3.146 4.722 . 0 0 "[ . 1 . 2]" 1
1700 1 76 ASP HA 1 79 ARG QD . . 4.830 3.901 2.673 4.830 . 0 0 "[ . 1 . 2]" 1
1701 1 76 ASP QB 1 77 ILE H . . 3.570 2.460 2.413 2.518 . 0 0 "[ . 1 . 2]" 1
1702 1 76 ASP QB 1 77 ILE HG12 . . 4.840 4.487 3.976 4.650 . 0 0 "[ . 1 . 2]" 1
1703 1 76 ASP QB 1 77 ILE HG13 . . 4.240 3.158 3.099 3.204 . 0 0 "[ . 1 . 2]" 1
1704 1 77 ILE HA 1 79 ARG QB . . 5.340 4.985 4.900 5.074 . 0 0 "[ . 1 . 2]" 1
1705 1 77 ILE HB 1 78 CYS QB . . 5.340 3.836 3.802 3.863 . 0 0 "[ . 1 . 2]" 1
1706 1 78 CYS H 1 78 CYS QB . . 3.310 2.203 2.166 2.226 . 0 0 "[ . 1 . 2]" 1
1707 1 78 CYS QB 1 79 ARG H . . 3.670 2.604 2.503 2.770 . 0 0 "[ . 1 . 2]" 1
1708 1 78 CYS QB 1 79 ARG HA . . 5.340 3.976 3.938 4.013 . 0 0 "[ . 1 . 2]" 1
1709 1 78 CYS QB 1 80 TYR H . . 5.340 4.819 4.696 4.933 . 0 0 "[ . 1 . 2]" 1
1710 1 79 ARG H 1 79 ARG QG . . 3.900 3.638 2.673 3.987 0.087 8 0 "[ . 1 . 2]" 1
1711 1 79 ARG HA 1 79 ARG QG . . 3.140 2.400 2.206 2.630 . 0 0 "[ . 1 . 2]" 1
1712 1 79 ARG HA 1 79 ARG QD . . 4.070 3.492 2.645 4.070 . 0 0 "[ . 1 . 2]" 1
1713 1 79 ARG QB 1 79 ARG QD . . 2.900 2.091 1.914 2.169 . 0 0 "[ . 1 . 2]" 1
1714 1 79 ARG QB 1 80 TYR H . . 3.630 2.533 2.344 2.678 . 0 0 "[ . 1 . 2]" 1
1715 1 79 ARG QB 1 80 TYR HA . . 4.880 4.011 3.784 4.293 . 0 0 "[ . 1 . 2]" 1
1716 1 79 ARG QB 1 80 TYR HB2 . . 5.340 4.217 4.094 4.385 . 0 0 "[ . 1 . 2]" 1
1717 1 79 ARG QB 1 80 TYR HB3 . . 5.290 4.598 4.495 4.721 . 0 0 "[ . 1 . 2]" 1
1718 1 79 ARG QG 1 80 TYR H . . 5.270 3.937 3.154 4.407 . 0 0 "[ . 1 . 2]" 1
1719 1 80 TYR HD1 1 84 LYS QE . . 4.480 4.296 4.084 4.461 . 0 0 "[ . 1 . 2]" 1
1720 1 80 TYR HE1 1 84 LYS QE . . 4.610 3.104 2.788 3.526 . 0 0 "[ . 1 . 2]" 1
1721 1 80 TYR HD2 1 84 LYS QE . . 5.340 4.297 3.963 4.922 . 0 0 "[ . 1 . 2]" 1
1722 1 81 ILE HA 1 84 LYS QG . . 3.800 2.923 2.775 3.049 . 0 0 "[ . 1 . 2]" 1
1723 1 81 ILE MG 1 85 SER QB . . 4.210 3.616 3.216 4.177 . 0 0 "[ . 1 . 2]" 1
1724 1 82 ALA MB 1 83 SER QB . . 4.650 3.895 3.783 4.207 . 0 0 "[ . 1 . 2]" 1
1725 1 83 SER H 1 83 SER QB . . 2.950 2.252 2.142 2.804 . 0 0 "[ . 1 . 2]" 1
1726 1 83 SER HA 1 84 LYS QG . . 5.200 4.964 4.871 5.078 . 0 0 "[ . 1 . 2]" 1
1727 1 83 SER QB 1 84 LYS H . . 4.010 2.941 2.864 3.396 . 0 0 "[ . 1 . 2]" 1
1728 1 83 SER QB 1 84 LYS QG . . 4.750 3.202 2.937 3.681 . 0 0 "[ . 1 . 2]" 1
1729 1 84 LYS H 1 84 LYS QG . . 3.510 2.347 2.293 2.389 . 0 0 "[ . 1 . 2]" 1
1730 1 84 LYS H 1 84 LYS QD . . 4.880 3.990 3.892 4.055 . 0 0 "[ . 1 . 2]" 1
1731 1 84 LYS H 1 85 SER QB . . 5.340 4.389 4.138 5.173 . 0 0 "[ . 1 . 2]" 1
1732 1 84 LYS HA 1 84 LYS QG . . 3.600 2.713 2.673 2.758 . 0 0 "[ . 1 . 2]" 1
1733 1 84 LYS HA 1 84 LYS QD . . 3.260 2.510 2.374 2.630 . 0 0 "[ . 1 . 2]" 1
1734 1 84 LYS HB2 1 84 LYS QD . . 3.620 3.225 3.195 3.248 . 0 0 "[ . 1 . 2]" 1
1735 1 84 LYS QE 1 84 LYS QG . . 3.100 2.109 2.035 2.222 . 0 0 "[ . 1 . 2]" 1
1736 1 84 LYS QG 1 85 SER H . . 4.950 3.959 3.824 4.080 . 0 0 "[ . 1 . 2]" 1
1737 1 85 SER HA 1 85 SER QB . . 2.570 2.294 2.168 2.485 . 0 0 "[ . 1 . 2]" 1
1738 1 85 SER QB 1 86 SER H . . 3.970 2.940 2.144 3.973 0.003 5 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 817
_Distance_constraint_stats_list.Viol_total 3511.233
_Distance_constraint_stats_list.Viol_max 0.348
_Distance_constraint_stats_list.Viol_rms 0.0851
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2090
_Distance_constraint_stats_list.Viol_average_violations_only 0.2149
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 1.234 0.070 6 0 "[ . 1 . 2]"
1 10 LYS 11.158 0.310 19 0 "[ . 1 . 2]"
1 11 ALA 11.807 0.346 14 0 "[ . 1 . 2]"
1 12 GLN 8.594 0.244 8 0 "[ . 1 . 2]"
1 13 VAL 11.812 0.303 9 0 "[ . 1 . 2]"
1 14 MET 22.981 0.340 5 0 "[ . 1 . 2]"
1 15 GLU 11.807 0.346 14 0 "[ . 1 . 2]"
1 16 SER 8.594 0.244 8 0 "[ . 1 . 2]"
1 17 VAL 22.234 0.331 20 0 "[ . 1 . 2]"
1 18 ILE 11.823 0.340 5 0 "[ . 1 . 2]"
1 21 LEU 11.656 0.331 20 0 "[ . 1 . 2]"
1 47 ASP 8.188 0.246 4 0 "[ . 1 . 2]"
1 48 PHE 7.564 0.304 17 0 "[ . 1 . 2]"
1 49 VAL 8.749 0.282 17 0 "[ . 1 . 2]"
1 50 ASP 5.000 0.204 11 0 "[ . 1 . 2]"
1 51 LEU 19.805 0.348 12 0 "[ . 1 . 2]"
1 52 ILE 14.920 0.304 17 0 "[ . 1 . 2]"
1 53 MET 19.623 0.322 17 0 "[ . 1 . 2]"
1 54 SER 12.634 0.233 20 0 "[ . 1 . 2]"
1 55 LEU 22.176 0.348 12 0 "[ . 1 . 2]"
1 56 GLU 7.356 0.210 16 0 "[ . 1 . 2]"
1 57 GLU 10.874 0.322 17 0 "[ . 1 . 2]"
1 58 ARG 7.634 0.233 20 0 "[ . 1 . 2]"
1 59 PHE 10.559 0.311 3 0 "[ . 1 . 2]"
1 73 THR 6.452 0.266 4 0 "[ . 1 . 2]"
1 75 ASP 4.421 0.202 2 0 "[ . 1 . 2]"
1 76 ASP 8.723 0.278 20 0 "[ . 1 . 2]"
1 77 ILE 16.153 0.278 11 0 "[ . 1 . 2]"
1 78 CYS 1.873 0.091 3 0 "[ . 1 . 2]"
1 79 ARG 4.421 0.202 2 0 "[ . 1 . 2]"
1 80 TYR 8.723 0.278 20 0 "[ . 1 . 2]"
1 81 ILE 9.701 0.278 11 0 "[ . 1 . 2]"
1 82 ALA 1.873 0.091 3 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 9 ILE O 1 13 VAL H . . 1.800 1.793 1.783 1.800 . 0 0 "[ . 1 . 2]" 2
2 1 9 ILE O 1 13 VAL N . . 2.700 2.762 2.753 2.770 0.070 6 0 "[ . 1 . 2]" 2
3 1 10 LYS O 1 14 MET H . . 1.800 2.065 2.044 2.086 0.286 20 0 "[ . 1 . 2]" 2
4 1 10 LYS O 1 14 MET N . . 2.700 2.993 2.966 3.010 0.310 19 0 "[ . 1 . 2]" 2
5 1 11 ALA O 1 15 GLU H . . 1.800 2.134 2.105 2.146 0.346 14 0 "[ . 1 . 2]" 2
6 1 11 ALA O 1 15 GLU N . . 2.700 2.957 2.937 2.967 0.267 8 0 "[ . 1 . 2]" 2
7 1 12 GLN O 1 16 SER H . . 1.800 2.031 2.022 2.044 0.244 8 0 "[ . 1 . 2]" 2
8 1 12 GLN O 1 16 SER N . . 2.700 2.899 2.887 2.912 0.212 17 0 "[ . 1 . 2]" 2
9 1 13 VAL O 1 17 VAL H . . 1.800 2.050 2.025 2.070 0.270 6 0 "[ . 1 . 2]" 2
10 1 13 VAL O 1 17 VAL N . . 2.700 2.979 2.962 3.003 0.303 9 0 "[ . 1 . 2]" 2
11 1 14 MET O 1 18 ILE H . . 1.800 2.065 2.053 2.085 0.285 12 0 "[ . 1 . 2]" 2
12 1 14 MET O 1 18 ILE N . . 2.700 3.026 3.015 3.040 0.340 5 0 "[ . 1 . 2]" 2
13 1 17 VAL O 1 21 LEU H . . 1.800 2.064 2.048 2.079 0.279 20 0 "[ . 1 . 2]" 2
14 1 17 VAL O 1 21 LEU N . . 2.700 3.019 3.004 3.031 0.331 20 0 "[ . 1 . 2]" 2
15 1 47 ASP O 1 51 LEU H . . 1.800 2.030 2.018 2.046 0.246 4 0 "[ . 1 . 2]" 2
16 1 47 ASP O 1 51 LEU N . . 2.700 2.879 2.857 2.908 0.208 1 0 "[ . 1 . 2]" 2
17 1 48 PHE O 1 52 ILE H . . 1.800 1.954 1.901 2.032 0.232 17 0 "[ . 1 . 2]" 2
18 1 48 PHE O 1 52 ILE N . . 2.700 2.924 2.866 3.004 0.304 17 0 "[ . 1 . 2]" 2
19 1 49 VAL O 1 53 MET H . . 1.800 2.003 1.877 2.044 0.244 17 0 "[ . 1 . 2]" 2
20 1 49 VAL O 1 53 MET N . . 2.700 2.934 2.807 2.982 0.282 17 0 "[ . 1 . 2]" 2
21 1 50 ASP O 1 54 SER H . . 1.800 1.945 1.866 2.004 0.204 11 0 "[ . 1 . 2]" 2
22 1 50 ASP O 1 54 SER N . . 2.700 2.805 2.740 2.869 0.169 2 0 "[ . 1 . 2]" 2
23 1 51 LEU O 1 55 LEU H . . 1.800 2.051 2.043 2.069 0.269 12 0 "[ . 1 . 2]" 2
24 1 51 LEU O 1 55 LEU N . . 2.700 3.030 3.022 3.048 0.348 12 0 "[ . 1 . 2]" 2
25 1 52 ILE O 1 56 GLU H . . 1.800 2.002 1.971 2.010 0.210 16 0 "[ . 1 . 2]" 2
26 1 52 ILE O 1 56 GLU N . . 2.700 2.865 2.829 2.902 0.202 6 0 "[ . 1 . 2]" 2
27 1 53 MET O 1 57 GLU H . . 1.800 2.038 2.031 2.054 0.254 17 0 "[ . 1 . 2]" 2
28 1 53 MET O 1 57 GLU N . . 2.700 3.006 2.998 3.022 0.322 17 0 "[ . 1 . 2]" 2
29 1 54 SER O 1 58 ARG H . . 1.800 2.022 2.013 2.033 0.233 20 0 "[ . 1 . 2]" 2
30 1 54 SER O 1 58 ARG N . . 2.700 2.860 2.752 2.888 0.188 9 0 "[ . 1 . 2]" 2
31 1 55 LEU O 1 59 PHE H . . 1.800 2.025 2.004 2.032 0.232 10 0 "[ . 1 . 2]" 2
32 1 55 LEU O 1 59 PHE N . . 2.700 3.003 2.979 3.011 0.311 3 0 "[ . 1 . 2]" 2
33 1 73 THR O 1 77 ILE H . . 1.800 1.928 1.795 2.003 0.203 4 0 "[ . 1 . 2]" 2
34 1 73 THR O 1 77 ILE N . . 2.700 2.894 2.767 2.966 0.266 4 0 "[ . 1 . 2]" 2
35 1 75 ASP O 1 79 ARG H . . 1.800 1.922 1.824 2.002 0.202 2 0 "[ . 1 . 2]" 2
36 1 75 ASP O 1 79 ARG N . . 2.700 2.799 2.747 2.875 0.175 12 0 "[ . 1 . 2]" 2
37 1 76 ASP O 1 80 TYR H . . 1.800 2.008 1.997 2.025 0.225 20 0 "[ . 1 . 2]" 2
38 1 76 ASP O 1 80 TYR N . . 2.700 2.928 2.883 2.978 0.278 20 0 "[ . 1 . 2]" 2
39 1 77 ILE O 1 81 ILE H . . 1.800 2.025 2.014 2.039 0.239 4 0 "[ . 1 . 2]" 2
40 1 77 ILE O 1 81 ILE N . . 2.700 2.960 2.930 2.978 0.278 11 0 "[ . 1 . 2]" 2
41 1 78 CYS O 1 82 ALA H . . 1.800 1.853 1.798 1.891 0.091 3 0 "[ . 1 . 2]" 2
42 1 78 CYS O 1 82 ALA N . . 2.700 2.741 2.732 2.747 0.047 3 0 "[ . 1 . 2]" 2
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