NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397007 |
1sq8   |
6084 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1sq8
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 980
_Distance_constraint_stats_list.Viol_count 2229
_Distance_constraint_stats_list.Viol_total 2691.488
_Distance_constraint_stats_list.Viol_max 1.011
_Distance_constraint_stats_list.Viol_rms 0.0234
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_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 2 LEU 1.307 0.090 7 0 "[ . 1 . 2]"
1 3 MET 4.415 1.011 17 1 "[ . 1 . + 2]"
1 4 GLY 1.091 0.065 5 0 "[ . 1 . 2]"
1 5 GLU 1.663 0.077 11 0 "[ . 1 . 2]"
1 6 ARG 3.813 1.011 17 1 "[ . 1 . + 2]"
1 7 ILE 2.256 0.077 17 0 "[ . 1 . 2]"
1 8 ARG 6.572 0.084 13 0 "[ . 1 . 2]"
1 9 ALA 2.552 0.075 8 0 "[ . 1 . 2]"
1 10 ARG 5.871 0.095 13 0 "[ . 1 . 2]"
1 11 ARG 9.055 0.477 5 0 "[ . 1 . 2]"
1 12 ILE 3.273 0.091 1 0 "[ . 1 . 2]"
1 13 GLN 5.347 0.086 8 0 "[ . 1 . 2]"
1 14 LEU 2.177 0.096 19 0 "[ . 1 . 2]"
1 15 GLY 2.220 0.086 8 0 "[ . 1 . 2]"
1 16 LEU 4.464 0.100 20 0 "[ . 1 . 2]"
1 17 ASN 2.911 0.088 19 0 "[ . 1 . 2]"
1 18 GLN 6.481 0.094 7 0 "[ . 1 . 2]"
1 19 ALA 4.077 0.084 4 0 "[ . 1 . 2]"
1 20 GLU 4.723 0.098 14 0 "[ . 1 . 2]"
1 21 LEU 2.909 0.078 5 0 "[ . 1 . 2]"
1 22 ALA 2.256 0.073 5 0 "[ . 1 . 2]"
1 23 GLN 2.729 0.086 10 0 "[ . 1 . 2]"
1 24 LYS 3.477 0.093 14 0 "[ . 1 . 2]"
1 25 VAL 2.760 0.092 16 0 "[ . 1 . 2]"
1 26 GLY 1.490 0.088 9 0 "[ . 1 . 2]"
1 27 VAL 3.416 0.098 20 0 "[ . 1 . 2]"
1 28 ASP 3.177 0.092 6 0 "[ . 1 . 2]"
1 29 GLN 3.188 0.090 3 0 "[ . 1 . 2]"
1 30 GLN 3.480 0.090 3 0 "[ . 1 . 2]"
1 31 ALA 3.495 0.074 10 0 "[ . 1 . 2]"
1 32 ILE 4.216 0.079 14 0 "[ . 1 . 2]"
1 33 GLU 2.933 0.088 15 0 "[ . 1 . 2]"
1 34 GLN 1.312 0.084 12 0 "[ . 1 . 2]"
1 35 LEU 6.236 0.096 16 0 "[ . 1 . 2]"
1 36 GLU 1.945 0.082 6 0 "[ . 1 . 2]"
1 37 ASN 5.627 0.099 6 0 "[ . 1 . 2]"
1 38 GLY 0.901 0.074 7 0 "[ . 1 . 2]"
1 39 LYS 2.575 0.088 15 0 "[ . 1 . 2]"
1 40 ALA 2.165 0.096 16 0 "[ . 1 . 2]"
1 41 LYS 0.617 0.074 2 0 "[ . 1 . 2]"
1 42 ARG 4.382 0.109 16 0 "[ . 1 . 2]"
1 43 PRO 1.045 0.087 15 0 "[ . 1 . 2]"
1 44 ARG 0.472 0.073 20 0 "[ . 1 . 2]"
1 45 PHE 0.043 0.027 17 0 "[ . 1 . 2]"
1 46 LEU 5.044 0.095 14 0 "[ . 1 . 2]"
1 47 PRO 0.204 0.056 10 0 "[ . 1 . 2]"
1 48 GLU 4.047 0.086 11 0 "[ . 1 . 2]"
1 49 LEU 5.584 0.085 12 0 "[ . 1 . 2]"
1 50 ALA 8.484 0.100 11 0 "[ . 1 . 2]"
1 51 ARG 2.895 0.074 18 0 "[ . 1 . 2]"
1 52 ALA 2.881 0.076 18 0 "[ . 1 . 2]"
1 53 LEU 7.848 0.100 11 0 "[ . 1 . 2]"
1 54 GLY 1.531 0.084 18 0 "[ . 1 . 2]"
1 55 VAL 2.874 0.070 6 0 "[ . 1 . 2]"
1 56 ALA 0.803 0.070 6 0 "[ . 1 . 2]"
1 57 VAL 3.771 0.102 14 0 "[ . 1 . 2]"
1 58 ASP 4.808 0.091 5 0 "[ . 1 . 2]"
1 59 TRP 8.699 0.091 17 0 "[ . 1 . 2]"
1 60 LEU 6.817 0.102 14 0 "[ . 1 . 2]"
1 61 LEU 5.006 0.088 16 0 "[ . 1 . 2]"
1 62 ASN 5.470 0.091 5 0 "[ . 1 . 2]"
1 63 GLY 3.947 0.091 17 0 "[ . 1 . 2]"
1 64 ALA 2.111 0.080 7 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 2 LEU H 1 2 LEU QB . . 3.880 2.918 2.545 3.555 . 0 0 "[ . 1 . 2]" 1
2 1 2 LEU H 1 5 GLU QB . . 3.770 2.568 1.709 3.476 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 5 GLU QG . . 5.630 3.806 2.773 5.012 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU HA 1 2 LEU HG . . 3.890 3.150 2.480 3.916 0.026 18 0 "[ . 1 . 2]" 1
5 1 2 LEU HA 1 3 MET H . . 2.740 2.567 2.328 2.777 0.037 13 0 "[ . 1 . 2]" 1
6 1 2 LEU QB 1 3 MET H . . 2.710 2.052 1.844 2.414 . 0 0 "[ . 1 . 2]" 1
7 1 2 LEU QB 1 4 GLY H . . 4.760 2.909 2.472 3.181 . 0 0 "[ . 1 . 2]" 1
8 1 2 LEU QB 1 5 GLU H . . 4.210 2.921 1.721 3.582 . 0 0 "[ . 1 . 2]" 1
9 1 2 LEU HB2 1 3 MET H . . 2.930 2.935 2.448 3.020 0.090 7 0 "[ . 1 . 2]" 1
10 1 2 LEU HB3 1 3 MET H . . 2.930 2.144 1.874 2.984 0.054 5 0 "[ . 1 . 2]" 1
11 1 2 LEU MD1 1 4 GLY H . . 6.530 4.488 3.548 5.490 . 0 0 "[ . 1 . 2]" 1
12 1 2 LEU MD2 1 4 GLY H . . 6.530 4.890 4.061 5.484 . 0 0 "[ . 1 . 2]" 1
13 1 3 MET H 1 3 MET QB . . 2.620 2.155 2.025 2.236 . 0 0 "[ . 1 . 2]" 1
14 1 3 MET H 1 3 MET ME . . 6.530 4.511 3.169 5.450 . 0 0 "[ . 1 . 2]" 1
15 1 3 MET H 1 4 GLY H . . 2.870 2.796 2.491 2.935 0.065 1 0 "[ . 1 . 2]" 1
16 1 3 MET H 1 6 ARG QH2 . . 6.370 3.903 2.900 7.381 1.011 17 1 "[ . 1 . + 2]" 1
17 1 3 MET H 1 7 ILE MD . . 6.530 5.298 5.104 5.362 . 0 0 "[ . 1 . 2]" 1
18 1 3 MET HA 1 6 ARG H . . 3.790 3.455 3.175 3.768 . 0 0 "[ . 1 . 2]" 1
19 1 3 MET HA 1 6 ARG HB2 . . 3.730 2.846 2.114 3.818 0.088 17 0 "[ . 1 . 2]" 1
20 1 3 MET HA 1 6 ARG QB . . 3.500 2.271 2.095 2.424 . 0 0 "[ . 1 . 2]" 1
21 1 3 MET HA 1 6 ARG HB3 . . 3.730 3.138 2.301 3.789 0.059 15 0 "[ . 1 . 2]" 1
22 1 3 MET HA 1 6 ARG QD . . 4.730 3.941 2.025 4.355 . 0 0 "[ . 1 . 2]" 1
23 1 3 MET HA 1 6 ARG HE . . 4.600 3.458 2.655 4.693 0.093 19 0 "[ . 1 . 2]" 1
24 1 3 MET HA 1 6 ARG QH2 . . 5.440 3.361 2.662 5.570 0.130 17 0 "[ . 1 . 2]" 1
25 1 3 MET QB 1 4 GLY H . . 2.870 2.494 2.414 2.591 . 0 0 "[ . 1 . 2]" 1
26 1 3 MET QB 1 6 ARG QH2 . . 6.370 4.205 3.679 7.044 0.674 17 1 "[ . 1 . + 2]" 1
27 1 3 MET ME 1 42 ARG H . . 6.340 4.840 4.409 5.185 . 0 0 "[ . 1 . 2]" 1
28 1 3 MET ME 1 43 PRO QD . . 6.070 3.617 2.103 4.456 . 0 0 "[ . 1 . 2]" 1
29 1 3 MET QG 1 6 ARG QG . . 6.040 4.606 3.100 4.873 . 0 0 "[ . 1 . 2]" 1
30 1 3 MET QG 1 60 LEU MD1 . . 6.540 4.514 4.068 4.808 . 0 0 "[ . 1 . 2]" 1
31 1 3 MET QG 1 60 LEU QD . . 6.120 3.178 2.583 3.657 . 0 0 "[ . 1 . 2]" 1
32 1 3 MET QG 1 60 LEU MD2 . . 6.540 3.259 2.612 3.853 . 0 0 "[ . 1 . 2]" 1
33 1 3 MET QG 1 61 LEU QD . . 8.970 4.002 3.139 4.965 . 0 0 "[ . 1 . 2]" 1
34 1 4 GLY H 1 5 GLU H . . 3.140 3.006 2.669 3.199 0.059 17 0 "[ . 1 . 2]" 1
35 1 4 GLY H 1 7 ILE MD . . 6.530 3.980 3.685 4.257 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLY QA 1 7 ILE H . . 4.800 3.564 3.390 3.701 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLY QA 1 7 ILE HB . . 4.110 2.855 2.531 3.327 . 0 0 "[ . 1 . 2]" 1
38 1 4 GLY QA 1 7 ILE MD . . 5.200 2.692 2.196 3.109 . 0 0 "[ . 1 . 2]" 1
39 1 4 GLY QA 1 36 GLU HA . . 2.630 2.074 1.851 2.391 . 0 0 "[ . 1 . 2]" 1
40 1 4 GLY HA2 1 36 GLU HA . . 2.830 2.169 2.023 2.555 . 0 0 "[ . 1 . 2]" 1
41 1 4 GLY HA3 1 36 GLU HA . . 2.830 2.699 2.079 2.895 0.065 5 0 "[ . 1 . 2]" 1
42 1 5 GLU H 1 5 GLU QB . . 3.650 2.234 1.965 2.481 . 0 0 "[ . 1 . 2]" 1
43 1 5 GLU H 1 5 GLU QG . . 3.930 2.860 2.043 3.650 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLU H 1 6 ARG H . . 2.800 2.781 2.645 2.876 0.076 15 0 "[ . 1 . 2]" 1
45 1 5 GLU HA 1 5 GLU QG . . 3.920 2.515 2.147 3.077 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLU HA 1 8 ARG H . . 3.390 3.390 3.143 3.467 0.077 11 0 "[ . 1 . 2]" 1
47 1 5 GLU HA 1 8 ARG HB3 . . 2.990 2.684 2.278 3.057 0.067 8 0 "[ . 1 . 2]" 1
48 1 5 GLU HA 1 9 ALA H . . 4.040 3.664 3.303 3.993 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLU QB 1 6 ARG H . . 3.310 2.640 2.287 3.010 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLU QB 1 9 ALA H . . 5.380 4.519 4.302 4.850 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLU HB2 1 6 ARG H . . 3.760 2.934 2.324 3.754 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLU HB3 1 6 ARG H . . 3.760 3.291 2.571 3.688 . 0 0 "[ . 1 . 2]" 1
53 1 5 GLU QG 1 6 ARG H . . 6.380 4.371 3.955 4.754 . 0 0 "[ . 1 . 2]" 1
54 1 6 ARG H 1 6 ARG HB2 . . 3.890 2.399 2.148 3.274 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG H 1 6 ARG QB . . 3.360 2.132 2.021 2.264 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG H 1 6 ARG HB3 . . 3.890 2.954 2.040 3.533 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG H 1 6 ARG HG2 . . 5.000 4.066 3.467 4.273 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG H 1 6 ARG QG . . 4.150 3.321 2.882 3.842 . 0 0 "[ . 1 . 2]" 1
59 1 6 ARG H 1 6 ARG HG3 . . 5.000 3.631 2.958 4.484 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG H 1 7 ILE H . . 2.930 2.775 2.663 2.901 . 0 0 "[ . 1 . 2]" 1
61 1 6 ARG HA 1 6 ARG QG . . 3.580 2.383 2.114 3.270 . 0 0 "[ . 1 . 2]" 1
62 1 6 ARG HA 1 59 TRP HH2 . . 5.040 3.500 2.883 4.323 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG QB 1 7 ILE H . . 3.950 2.630 2.463 3.284 . 0 0 "[ . 1 . 2]" 1
64 1 6 ARG HB2 1 7 ILE H . . 4.690 3.284 2.656 4.113 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG HB3 1 7 ILE H . . 4.690 2.895 2.602 3.453 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG QD 1 59 TRP HZ2 . . 5.370 3.801 3.275 4.798 . 0 0 "[ . 1 . 2]" 1
67 1 6 ARG QD 1 59 TRP HZ3 . . 4.700 3.231 2.784 3.680 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG QD 1 60 LEU HA . . 4.420 2.725 1.842 3.122 . 0 0 "[ . 1 . 2]" 1
69 1 6 ARG QD 1 60 LEU QD . . 6.180 2.956 2.112 3.290 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG QD 1 63 GLY H . . 6.220 3.808 3.231 4.792 . 0 0 "[ . 1 . 2]" 1
71 1 6 ARG QD 1 63 GLY QA . . 5.360 2.296 1.919 3.652 . 0 0 "[ . 1 . 2]" 1
72 1 6 ARG HD2 1 59 TRP HZ2 . . 5.500 4.448 3.947 5.582 0.082 18 0 "[ . 1 . 2]" 1
73 1 6 ARG HD3 1 59 TRP HZ2 . . 5.500 4.170 3.435 5.234 . 0 0 "[ . 1 . 2]" 1
74 1 6 ARG HE 1 60 LEU HA . . 3.480 2.840 2.346 3.580 0.100 10 0 "[ . 1 . 2]" 1
75 1 6 ARG HE 1 63 GLY H . . 4.850 3.800 3.325 4.836 . 0 0 "[ . 1 . 2]" 1
76 1 6 ARG HE 1 63 GLY QA . . 6.380 3.139 1.773 3.661 . 0 0 "[ . 1 . 2]" 1
77 1 6 ARG QG 1 7 ILE H . . 6.000 3.816 2.479 4.438 . 0 0 "[ . 1 . 2]" 1
78 1 6 ARG QG 1 59 TRP HE3 . . 5.570 4.349 3.337 5.006 . 0 0 "[ . 1 . 2]" 1
79 1 6 ARG QG 1 59 TRP HH2 . . 4.600 2.689 2.326 3.104 . 0 0 "[ . 1 . 2]" 1
80 1 6 ARG QG 1 59 TRP HZ2 . . 5.050 3.242 2.737 3.883 . 0 0 "[ . 1 . 2]" 1
81 1 6 ARG HG2 1 59 TRP HH2 . . 4.790 3.145 2.606 4.051 . 0 0 "[ . 1 . 2]" 1
82 1 6 ARG HG2 1 59 TRP HZ2 . . 5.500 3.888 2.864 5.560 0.060 9 0 "[ . 1 . 2]" 1
83 1 6 ARG HG3 1 59 TRP HH2 . . 4.790 3.726 2.405 4.722 . 0 0 "[ . 1 . 2]" 1
84 1 6 ARG HG3 1 59 TRP HZ2 . . 5.500 4.290 2.783 5.084 . 0 0 "[ . 1 . 2]" 1
85 1 6 ARG QH2 1 63 GLY H . . 6.370 3.969 3.492 4.684 . 0 0 "[ . 1 . 2]" 1
86 1 6 ARG QH2 1 63 GLY QA . . 6.930 3.449 2.385 4.187 . 0 0 "[ . 1 . 2]" 1
87 1 7 ILE H 1 7 ILE HB . . 2.400 2.296 2.145 2.457 0.057 13 0 "[ . 1 . 2]" 1
88 1 7 ILE H 1 7 ILE MD . . 4.880 3.178 2.185 3.463 . 0 0 "[ . 1 . 2]" 1
89 1 7 ILE H 1 8 ARG H . . 3.110 2.736 2.668 2.815 . 0 0 "[ . 1 . 2]" 1
90 1 7 ILE H 1 60 LEU QD . . 7.910 4.013 3.556 4.661 . 0 0 "[ . 1 . 2]" 1
91 1 7 ILE HA 1 9 ALA H . . 5.500 4.632 4.506 4.835 . 0 0 "[ . 1 . 2]" 1
92 1 7 ILE HA 1 10 ARG H . . 3.700 3.721 3.532 3.776 0.076 13 0 "[ . 1 . 2]" 1
93 1 7 ILE HA 1 10 ARG QB . . 4.270 3.100 2.684 3.355 . 0 0 "[ . 1 . 2]" 1
94 1 7 ILE HA 1 11 ARG H . . 4.140 3.878 3.676 4.067 . 0 0 "[ . 1 . 2]" 1
95 1 7 ILE HA 1 53 LEU QD . . 5.280 2.636 2.213 3.211 . 0 0 "[ . 1 . 2]" 1
96 1 7 ILE HA 1 59 TRP HH2 . . 4.820 4.437 3.369 4.883 0.063 20 0 "[ . 1 . 2]" 1
97 1 7 ILE HB 1 8 ARG H . . 2.560 2.605 2.430 2.637 0.077 17 0 "[ . 1 . 2]" 1
98 1 7 ILE MD 1 8 ARG H . . 5.940 4.460 4.054 4.632 . 0 0 "[ . 1 . 2]" 1
99 1 7 ILE MG 1 8 ARG H . . 4.920 3.155 2.953 3.348 . 0 0 "[ . 1 . 2]" 1
100 1 7 ILE MG 1 8 ARG HA . . 4.880 3.341 3.017 3.570 . 0 0 "[ . 1 . 2]" 1
101 1 7 ILE MG 1 11 ARG H . . 6.530 4.199 3.884 4.412 . 0 0 "[ . 1 . 2]" 1
102 1 7 ILE MG 1 11 ARG HB2 . . 4.450 3.494 3.068 3.648 . 0 0 "[ . 1 . 2]" 1
103 1 7 ILE MG 1 11 ARG HE . . 6.530 3.198 2.686 4.488 . 0 0 "[ . 1 . 2]" 1
104 1 7 ILE MG 1 32 ILE MD . . 7.560 3.360 2.954 3.927 . 0 0 "[ . 1 . 2]" 1
105 1 7 ILE MG 1 36 GLU H . . 6.530 4.103 3.838 4.456 . 0 0 "[ . 1 . 2]" 1
106 1 7 ILE MG 1 36 GLU HG2 . . 4.230 3.039 2.516 3.351 . 0 0 "[ . 1 . 2]" 1
107 1 7 ILE MG 1 36 GLU HG3 . . 4.480 2.862 2.326 3.493 . 0 0 "[ . 1 . 2]" 1
108 1 8 ARG H 1 8 ARG HB2 . . 2.960 2.342 2.150 2.531 . 0 0 "[ . 1 . 2]" 1
109 1 8 ARG H 1 8 ARG HB3 . . 2.680 2.685 2.540 2.749 0.069 17 0 "[ . 1 . 2]" 1
110 1 8 ARG H 1 9 ALA H . . 3.020 2.805 2.707 2.940 . 0 0 "[ . 1 . 2]" 1
111 1 8 ARG H 1 10 ARG H . . 5.250 4.479 4.306 4.639 . 0 0 "[ . 1 . 2]" 1
112 1 8 ARG H 1 36 GLU HG2 . . 3.860 3.010 2.421 3.676 . 0 0 "[ . 1 . 2]" 1
113 1 8 ARG H 1 36 GLU HG3 . . 5.500 4.404 3.989 4.974 . 0 0 "[ . 1 . 2]" 1
114 1 8 ARG HA 1 8 ARG HB2 . . 2.620 2.552 2.514 2.612 . 0 0 "[ . 1 . 2]" 1
115 1 8 ARG HA 1 8 ARG QG . . 3.900 2.338 2.200 2.476 . 0 0 "[ . 1 . 2]" 1
116 1 8 ARG HA 1 9 ALA H . . 3.520 3.574 3.541 3.589 0.069 14 0 "[ . 1 . 2]" 1
117 1 8 ARG HA 1 11 ARG H . . 3.950 3.684 3.537 3.851 . 0 0 "[ . 1 . 2]" 1
118 1 8 ARG HA 1 11 ARG HE . . 3.670 3.434 2.928 3.744 0.074 1 0 "[ . 1 . 2]" 1
119 1 8 ARG HA 1 12 ILE H . . 4.420 4.037 3.757 4.420 0.000 18 0 "[ . 1 . 2]" 1
120 1 8 ARG HA 1 36 GLU HG3 . . 4.320 4.361 4.223 4.402 0.082 6 0 "[ . 1 . 2]" 1
121 1 8 ARG HB2 1 8 ARG HE . . 5.040 4.600 3.638 5.122 0.082 10 0 "[ . 1 . 2]" 1
122 1 8 ARG HB2 1 9 ALA H . . 3.700 3.724 3.627 3.775 0.075 8 0 "[ . 1 . 2]" 1
123 1 8 ARG HB3 1 8 ARG HE . . 4.380 4.003 2.176 4.464 0.084 13 0 "[ . 1 . 2]" 1
124 1 8 ARG HB3 1 9 ALA H . . 3.020 2.494 2.401 2.625 . 0 0 "[ . 1 . 2]" 1
125 1 8 ARG QD 1 9 ALA H . . 6.380 4.046 3.227 5.264 . 0 0 "[ . 1 . 2]" 1
126 1 8 ARG QD 1 12 ILE MD . . 6.570 4.164 3.352 4.867 . 0 0 "[ . 1 . 2]" 1
127 1 8 ARG HE 1 12 ILE MD . . 5.630 4.045 3.086 4.657 . 0 0 "[ . 1 . 2]" 1
128 1 8 ARG QG 1 9 ALA H . . 6.380 4.079 3.705 4.322 . 0 0 "[ . 1 . 2]" 1
129 1 8 ARG QG 1 11 ARG H . . 6.380 5.237 4.797 5.610 . 0 0 "[ . 1 . 2]" 1
130 1 8 ARG QG 1 11 ARG HE . . 6.380 4.510 3.858 5.552 . 0 0 "[ . 1 . 2]" 1
131 1 8 ARG QG 1 11 ARG QH2 . . 7.240 2.512 2.015 3.994 . 0 0 "[ . 1 . 2]" 1
132 1 8 ARG QG 1 11 ARG NH1 . . 6.380 4.154 3.096 5.541 . 0 0 "[ . 1 . 2]" 1
133 1 9 ALA H 1 9 ALA MB . . 3.430 2.240 2.189 2.281 . 0 0 "[ . 1 . 2]" 1
134 1 9 ALA H 1 10 ARG H . . 2.960 2.875 2.717 3.009 0.049 8 0 "[ . 1 . 2]" 1
135 1 9 ALA H 1 11 ARG H . . 4.200 4.219 4.101 4.272 0.072 16 0 "[ . 1 . 2]" 1
136 1 9 ALA HA 1 11 ARG H . . 5.500 4.586 4.475 4.774 . 0 0 "[ . 1 . 2]" 1
137 1 9 ALA HA 1 12 ILE H . . 3.920 3.682 3.028 3.976 0.056 17 0 "[ . 1 . 2]" 1
138 1 9 ALA MB 1 11 ARG H . . 6.530 4.522 4.376 4.659 . 0 0 "[ . 1 . 2]" 1
139 1 9 ALA MB 1 59 TRP HZ2 . . 6.160 4.707 4.123 5.025 . 0 0 "[ . 1 . 2]" 1
140 1 10 ARG H 1 10 ARG HB2 . . 2.990 2.301 2.065 2.706 . 0 0 "[ . 1 . 2]" 1
141 1 10 ARG H 1 10 ARG QB . . 2.680 2.120 2.034 2.242 . 0 0 "[ . 1 . 2]" 1
142 1 10 ARG H 1 10 ARG HB3 . . 2.990 2.681 2.247 3.056 0.066 7 0 "[ . 1 . 2]" 1
143 1 10 ARG H 1 10 ARG HG2 . . 4.850 4.281 3.913 4.617 . 0 0 "[ . 1 . 2]" 1
144 1 10 ARG H 1 10 ARG HG3 . . 5.340 4.455 4.263 4.584 . 0 0 "[ . 1 . 2]" 1
145 1 10 ARG H 1 11 ARG H . . 2.740 2.770 2.648 2.809 0.069 10 0 "[ . 1 . 2]" 1
146 1 10 ARG HA 1 10 ARG HD2 . . 3.640 2.958 2.245 3.537 . 0 0 "[ . 1 . 2]" 1
147 1 10 ARG HA 1 10 ARG QD . . 2.990 2.392 2.219 2.655 . 0 0 "[ . 1 . 2]" 1
148 1 10 ARG HA 1 10 ARG HD3 . . 3.640 2.744 2.337 3.484 . 0 0 "[ . 1 . 2]" 1
149 1 10 ARG HA 1 13 GLN H . . 3.700 3.170 2.903 3.369 . 0 0 "[ . 1 . 2]" 1
150 1 10 ARG HA 1 13 GLN HB2 . . 3.110 2.453 2.168 2.776 . 0 0 "[ . 1 . 2]" 1
151 1 10 ARG HA 1 13 GLN QB . . 2.860 2.212 2.020 2.371 . 0 0 "[ . 1 . 2]" 1
152 1 10 ARG HA 1 13 GLN HB3 . . 3.110 2.556 2.283 2.873 . 0 0 "[ . 1 . 2]" 1
153 1 10 ARG QB 1 55 VAL MG1 . . 6.570 3.724 3.379 4.045 . 0 0 "[ . 1 . 2]" 1
154 1 10 ARG QB 1 59 TRP HH2 . . 3.960 2.174 1.947 2.305 . 0 0 "[ . 1 . 2]" 1
155 1 10 ARG QB 1 59 TRP HZ3 . . 4.360 3.154 2.482 3.581 . 0 0 "[ . 1 . 2]" 1
156 1 10 ARG QD 1 13 GLN QB . . 6.290 2.450 2.110 2.793 . 0 0 "[ . 1 . 2]" 1
157 1 10 ARG QD 1 13 GLN HE22 . . 4.330 3.221 2.900 3.984 . 0 0 "[ . 1 . 2]" 1
158 1 10 ARG QD 1 55 VAL MG1 . . 5.330 3.412 2.430 3.992 . 0 0 "[ . 1 . 2]" 1
159 1 10 ARG QD 1 59 TRP HH2 . . 6.280 4.562 3.417 5.125 . 0 0 "[ . 1 . 2]" 1
160 1 10 ARG HD2 1 13 GLN HE22 . . 4.630 4.520 3.523 4.711 0.081 10 0 "[ . 1 . 2]" 1
161 1 10 ARG HD3 1 13 GLN HE22 . . 4.630 3.348 2.928 4.384 . 0 0 "[ . 1 . 2]" 1
162 1 10 ARG HE 1 10 ARG HG2 . . 2.930 2.899 2.448 3.025 0.095 13 0 "[ . 1 . 2]" 1
163 1 10 ARG HE 1 10 ARG HG3 . . 2.740 2.270 2.077 2.446 . 0 0 "[ . 1 . 2]" 1
164 1 10 ARG HE 1 14 LEU QD . . 8.100 4.391 2.735 5.634 . 0 0 "[ . 1 . 2]" 1
165 1 10 ARG HE 1 53 LEU HA . . 5.000 4.063 3.594 4.454 . 0 0 "[ . 1 . 2]" 1
166 1 10 ARG HE 1 53 LEU HB2 . . 4.790 4.880 4.873 4.885 0.095 13 0 "[ . 1 . 2]" 1
167 1 10 ARG HE 1 53 LEU HB3 . . 4.790 3.863 3.471 4.307 . 0 0 "[ . 1 . 2]" 1
168 1 10 ARG HE 1 53 LEU MD1 . . 6.530 3.403 2.638 4.489 . 0 0 "[ . 1 . 2]" 1
169 1 10 ARG HE 1 53 LEU MD2 . . 6.530 3.622 2.642 4.258 . 0 0 "[ . 1 . 2]" 1
170 1 10 ARG HE 1 55 VAL MG1 . . 3.860 2.288 1.755 2.745 . 0 0 "[ . 1 . 2]" 1
171 1 10 ARG HE 1 55 VAL MG2 . . 5.910 4.003 3.527 4.491 . 0 0 "[ . 1 . 2]" 1
172 1 10 ARG HG3 1 11 ARG H . . 5.500 4.679 3.678 5.255 . 0 0 "[ . 1 . 2]" 1
173 1 10 ARG HG3 1 55 VAL MG1 . . 4.510 2.790 2.173 3.753 . 0 0 "[ . 1 . 2]" 1
174 1 10 ARG HG3 1 59 TRP HZ3 . . 4.480 3.831 2.922 4.550 0.070 17 0 "[ . 1 . 2]" 1
175 1 10 ARG QH2 1 14 LEU QD . . 8.340 4.034 2.326 5.438 . 0 0 "[ . 1 . 2]" 1
176 1 10 ARG QH2 1 54 GLY HA3 . . 6.090 2.421 1.985 2.927 . 0 0 "[ . 1 . 2]" 1
177 1 10 ARG QH2 1 55 VAL MG1 . . 6.930 2.769 2.237 3.661 . 0 0 "[ . 1 . 2]" 1
178 1 11 ARG H 1 11 ARG HB2 . . 3.240 2.319 2.144 2.432 . 0 0 "[ . 1 . 2]" 1
179 1 11 ARG H 1 11 ARG HB3 . . 2.990 2.754 2.406 3.060 0.070 6 0 "[ . 1 . 2]" 1
180 1 11 ARG H 1 11 ARG HG2 . . 5.500 4.540 4.428 4.605 . 0 0 "[ . 1 . 2]" 1
181 1 11 ARG H 1 11 ARG HG3 . . 5.500 4.260 3.943 4.476 . 0 0 "[ . 1 . 2]" 1
182 1 11 ARG H 1 12 ILE H . . 3.050 2.822 2.682 2.970 . 0 0 "[ . 1 . 2]" 1
183 1 11 ARG H 1 12 ILE HB . . 5.470 4.815 4.497 5.354 . 0 0 "[ . 1 . 2]" 1
184 1 11 ARG H 1 21 LEU MD1 . . 6.530 5.333 5.300 5.371 . 0 0 "[ . 1 . 2]" 1
185 1 11 ARG H 1 21 LEU QD . . 6.240 4.138 3.887 4.435 . 0 0 "[ . 1 . 2]" 1
186 1 11 ARG H 1 21 LEU MD2 . . 6.530 4.321 3.990 4.758 . 0 0 "[ . 1 . 2]" 1
187 1 11 ARG H 1 53 LEU MD1 . . 6.530 3.385 2.895 4.141 . 0 0 "[ . 1 . 2]" 1
188 1 11 ARG H 1 53 LEU MD2 . . 6.530 3.796 2.666 4.268 . 0 0 "[ . 1 . 2]" 1
189 1 11 ARG HA 1 11 ARG HG3 . . 3.170 2.340 2.195 2.563 . 0 0 "[ . 1 . 2]" 1
190 1 11 ARG HA 1 13 GLN H . . 5.500 4.481 4.282 4.615 . 0 0 "[ . 1 . 2]" 1
191 1 11 ARG HA 1 14 LEU H . . 3.640 3.484 3.244 3.688 0.048 8 0 "[ . 1 . 2]" 1
192 1 11 ARG HA 1 14 LEU QB . . 3.870 2.931 2.537 3.305 . 0 0 "[ . 1 . 2]" 1
193 1 11 ARG HA 1 16 LEU H . . 5.070 4.059 3.656 4.613 . 0 0 "[ . 1 . 2]" 1
194 1 11 ARG HB2 1 11 ARG HD2 . . 3.760 3.698 3.611 3.782 0.022 10 0 "[ . 1 . 2]" 1
195 1 11 ARG HB2 1 11 ARG HD3 . . 3.480 2.752 2.577 2.941 . 0 0 "[ . 1 . 2]" 1
196 1 11 ARG HB2 1 11 ARG NH1 . . 3.830 3.949 2.581 4.307 0.477 5 0 "[ . 1 . 2]" 1
197 1 11 ARG HB2 1 12 ILE H . . 3.480 3.535 3.345 3.571 0.091 1 0 "[ . 1 . 2]" 1
198 1 11 ARG HB3 1 11 ARG HE . . 4.070 3.180 2.871 3.628 . 0 0 "[ . 1 . 2]" 1
199 1 11 ARG HB3 1 12 ILE H . . 2.930 2.344 2.154 2.692 . 0 0 "[ . 1 . 2]" 1
200 1 11 ARG HD2 1 18 GLN HA . . 2.930 2.270 2.116 2.422 . 0 0 "[ . 1 . 2]" 1
201 1 11 ARG HD2 1 21 LEU H . . 5.500 3.666 3.314 4.118 . 0 0 "[ . 1 . 2]" 1
202 1 11 ARG HD2 1 21 LEU QD . . 5.710 3.240 2.981 3.418 . 0 0 "[ . 1 . 2]" 1
203 1 11 ARG HD2 1 32 ILE QG . . 5.420 4.562 4.455 4.639 . 0 0 "[ . 1 . 2]" 1
204 1 11 ARG HD3 1 11 ARG HE . . 2.830 2.274 2.126 2.913 0.083 20 0 "[ . 1 . 2]" 1
205 1 11 ARG HD3 1 21 LEU HB3 . . 4.290 2.562 2.328 2.981 . 0 0 "[ . 1 . 2]" 1
206 1 11 ARG HD3 1 21 LEU QD . . 5.060 1.996 1.925 2.117 . 0 0 "[ . 1 . 2]" 1
207 1 11 ARG HD3 1 32 ILE QG . . 5.850 4.106 3.859 4.562 . 0 0 "[ . 1 . 2]" 1
208 1 11 ARG HE 1 18 GLN HA . . 5.500 3.441 3.053 3.823 . 0 0 "[ . 1 . 2]" 1
209 1 11 ARG HE 1 18 GLN HE21 . . 5.500 4.792 3.650 5.577 0.077 5 0 "[ . 1 . 2]" 1
210 1 11 ARG HE 1 18 GLN HG2 . . 4.290 3.209 2.297 4.242 . 0 0 "[ . 1 . 2]" 1
211 1 11 ARG HE 1 18 GLN HG3 . . 5.500 4.138 2.969 5.360 . 0 0 "[ . 1 . 2]" 1
212 1 11 ARG HE 1 21 LEU QD . . 8.100 2.932 2.016 4.004 . 0 0 "[ . 1 . 2]" 1
213 1 11 ARG HE 1 32 ILE QG . . 5.760 4.683 4.082 5.010 . 0 0 "[ . 1 . 2]" 1
214 1 11 ARG HE 1 53 LEU QD . . 6.950 4.860 4.444 5.089 . 0 0 "[ . 1 . 2]" 1
215 1 11 ARG HG2 1 12 ILE H . . 4.940 3.894 3.385 4.660 . 0 0 "[ . 1 . 2]" 1
216 1 11 ARG HG3 1 12 ILE H . . 5.500 4.555 4.093 5.045 . 0 0 "[ . 1 . 2]" 1
217 1 11 ARG HG3 1 16 LEU H . . 4.940 3.909 3.235 4.672 . 0 0 "[ . 1 . 2]" 1
218 1 11 ARG QH2 1 18 GLN HE21 . . 6.180 3.167 2.444 4.441 . 0 0 "[ . 1 . 2]" 1
219 1 12 ILE H 1 12 ILE HB . . 2.740 2.354 2.197 2.727 . 0 0 "[ . 1 . 2]" 1
220 1 12 ILE H 1 12 ILE MD . . 4.360 3.396 2.703 3.626 . 0 0 "[ . 1 . 2]" 1
221 1 12 ILE H 1 12 ILE HG12 . . 3.730 2.313 2.223 2.485 . 0 0 "[ . 1 . 2]" 1
222 1 12 ILE H 1 12 ILE QG . . 3.130 2.289 2.206 2.451 . 0 0 "[ . 1 . 2]" 1
223 1 12 ILE H 1 12 ILE HG13 . . 3.730 3.653 3.466 3.759 0.029 14 0 "[ . 1 . 2]" 1
224 1 12 ILE H 1 13 GLN H . . 2.800 2.751 2.613 2.855 0.055 8 0 "[ . 1 . 2]" 1
225 1 12 ILE H 1 14 LEU H . . 5.130 4.097 3.952 4.292 . 0 0 "[ . 1 . 2]" 1
226 1 12 ILE HA 1 12 ILE QG . . 3.450 2.915 2.783 3.200 . 0 0 "[ . 1 . 2]" 1
227 1 12 ILE HA 1 12 ILE MG . . 3.490 2.567 2.338 2.700 . 0 0 "[ . 1 . 2]" 1
228 1 12 ILE HA 1 15 GLY H . . 3.240 2.853 2.736 3.000 . 0 0 "[ . 1 . 2]" 1
229 1 12 ILE HA 1 16 LEU H . . 3.610 3.550 3.332 3.688 0.078 20 0 "[ . 1 . 2]" 1
230 1 12 ILE HB 1 13 GLN H . . 2.770 2.835 2.807 2.848 0.078 16 0 "[ . 1 . 2]" 1
231 1 12 ILE MD 1 13 GLN H . . 6.310 4.810 4.586 4.926 . 0 0 "[ . 1 . 2]" 1
232 1 12 ILE MD 1 15 GLY HA3 . . 6.280 5.136 5.023 5.166 . 0 0 "[ . 1 . 2]" 1
233 1 12 ILE QG 1 13 GLN H . . 6.380 4.271 4.091 4.337 . 0 0 "[ . 1 . 2]" 1
234 1 12 ILE MG 1 13 GLN H . . 4.850 3.428 3.243 3.727 . 0 0 "[ . 1 . 2]" 1
235 1 12 ILE MG 1 15 GLY H . . 6.530 4.133 3.879 4.293 . 0 0 "[ . 1 . 2]" 1
236 1 13 GLN H 1 13 GLN HB2 . . 3.270 2.182 2.027 2.317 . 0 0 "[ . 1 . 2]" 1
237 1 13 GLN H 1 13 GLN QB . . 2.960 2.109 1.991 2.226 . 0 0 "[ . 1 . 2]" 1
238 1 13 GLN H 1 13 GLN HB3 . . 3.270 2.809 2.667 3.021 . 0 0 "[ . 1 . 2]" 1
239 1 13 GLN H 1 14 LEU H . . 3.050 2.773 2.701 2.877 . 0 0 "[ . 1 . 2]" 1
240 1 13 GLN HA 1 14 LEU H . . 3.450 3.482 3.316 3.524 0.074 9 0 "[ . 1 . 2]" 1
241 1 13 GLN HA 1 15 GLY H . . 3.760 3.816 3.734 3.846 0.086 8 0 "[ . 1 . 2]" 1
242 1 13 GLN QB 1 14 LEU H . . 3.580 2.746 2.424 3.139 . 0 0 "[ . 1 . 2]" 1
243 1 13 GLN HB2 1 14 LEU H . . 3.760 3.766 3.528 3.844 0.084 14 0 "[ . 1 . 2]" 1
244 1 13 GLN HB3 1 14 LEU H . . 3.760 2.826 2.470 3.328 . 0 0 "[ . 1 . 2]" 1
245 1 14 LEU H 1 14 LEU QB . . 3.320 2.329 2.174 2.722 . 0 0 "[ . 1 . 2]" 1
246 1 14 LEU H 1 15 GLY H . . 2.770 2.301 1.964 2.494 . 0 0 "[ . 1 . 2]" 1
247 1 14 LEU HA 1 15 GLY H . . 3.420 3.358 3.267 3.444 0.024 17 0 "[ . 1 . 2]" 1
248 1 14 LEU QB 1 15 GLY H . . 4.390 3.282 2.956 3.496 . 0 0 "[ . 1 . 2]" 1
249 1 14 LEU QB 1 16 LEU H . . 4.210 3.074 2.341 3.438 . 0 0 "[ . 1 . 2]" 1
250 1 14 LEU QD 1 16 LEU H . . 8.100 4.153 3.715 4.485 . 0 0 "[ . 1 . 2]" 1
251 1 14 LEU HG 1 15 GLY H . . 5.500 4.599 4.159 4.857 . 0 0 "[ . 1 . 2]" 1
252 1 14 LEU HG 1 16 LEU H . . 4.200 3.950 3.314 4.296 0.096 19 0 "[ . 1 . 2]" 1
253 1 15 GLY H 1 15 GLY HA2 . . 2.560 2.248 2.217 2.288 . 0 0 "[ . 1 . 2]" 1
254 1 15 GLY H 1 16 LEU H . . 2.740 2.765 2.534 2.826 0.086 20 0 "[ . 1 . 2]" 1
255 1 15 GLY HA2 1 16 LEU H . . 3.360 3.066 2.795 3.433 0.073 19 0 "[ . 1 . 2]" 1
256 1 16 LEU H 1 16 LEU QB . . 3.430 2.400 2.120 2.751 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU H 1 16 LEU HG . . 3.480 3.534 3.306 3.580 0.100 20 0 "[ . 1 . 2]" 1
258 1 16 LEU QB 1 17 ASN H . . 3.460 2.611 2.547 2.673 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU QB 1 20 GLU QG . . 5.730 4.057 3.484 4.325 . 0 0 "[ . 1 . 2]" 1
260 1 16 LEU QB 1 21 LEU H . . 5.940 3.904 3.025 4.750 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU HB2 1 17 ASN H . . 3.920 3.328 2.612 3.998 0.078 2 0 "[ . 1 . 2]" 1
262 1 16 LEU HB3 1 17 ASN H . . 3.920 3.311 2.579 4.003 0.083 8 0 "[ . 1 . 2]" 1
263 1 16 LEU QD 1 17 ASN H . . 6.830 2.945 2.271 3.515 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU QD 1 21 LEU H . . 5.960 2.903 2.780 3.070 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU QD 1 24 LYS H . . 8.100 4.591 4.245 5.073 . 0 0 "[ . 1 . 2]" 1
266 1 16 LEU QD 1 24 LYS QE . . 6.890 3.376 2.528 3.779 . 0 0 "[ . 1 . 2]" 1
267 1 16 LEU MD1 1 21 LEU H . . 6.530 2.976 2.831 3.160 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU MD1 1 24 LYS HE2 . . 8.550 3.601 2.623 4.083 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU MD1 1 24 LYS HE3 . . 8.550 4.679 3.925 5.158 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU MD2 1 21 LEU H . . 6.530 4.052 3.829 4.363 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU MD2 1 24 LYS HE2 . . 8.550 5.164 3.632 6.680 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU MD2 1 24 LYS HE3 . . 8.550 6.258 5.103 7.122 . 0 0 "[ . 1 . 2]" 1
273 1 17 ASN H 1 17 ASN QB . . 3.720 2.619 2.489 2.952 . 0 0 "[ . 1 . 2]" 1
274 1 17 ASN H 1 17 ASN HD21 . . 5.500 3.372 2.188 4.620 . 0 0 "[ . 1 . 2]" 1
275 1 17 ASN H 1 20 GLU H . . 4.040 3.737 3.381 4.079 0.039 19 0 "[ . 1 . 2]" 1
276 1 17 ASN H 1 20 GLU QB . . 3.930 2.432 2.089 2.832 . 0 0 "[ . 1 . 2]" 1
277 1 17 ASN H 1 20 GLU QG . . 4.240 2.659 1.818 3.468 . 0 0 "[ . 1 . 2]" 1
278 1 17 ASN H 1 21 LEU H . . 5.500 4.100 3.606 4.467 . 0 0 "[ . 1 . 2]" 1
279 1 17 ASN HA 1 18 GLN H . . 3.330 2.492 2.393 2.595 . 0 0 "[ . 1 . 2]" 1
280 1 17 ASN QB 1 18 GLN H . . 3.000 2.326 2.069 2.455 . 0 0 "[ . 1 . 2]" 1
281 1 17 ASN QB 1 19 ALA H . . 4.640 2.802 2.497 3.333 . 0 0 "[ . 1 . 2]" 1
282 1 17 ASN HB2 1 18 GLN H . . 3.480 3.335 2.083 3.568 0.088 7 0 "[ . 1 . 2]" 1
283 1 17 ASN HB2 1 19 ALA H . . 5.190 3.267 3.043 3.641 . 0 0 "[ . 1 . 2]" 1
284 1 17 ASN HB3 1 18 GLN H . . 3.480 2.571 2.286 3.568 0.088 19 0 "[ . 1 . 2]" 1
285 1 17 ASN HB3 1 19 ALA H . . 5.190 3.209 2.613 4.841 . 0 0 "[ . 1 . 2]" 1
286 1 17 ASN HD21 1 19 ALA MB . . 6.530 4.477 2.684 5.258 . 0 0 "[ . 1 . 2]" 1
287 1 17 ASN HD21 1 20 GLU QG . . 6.380 2.844 2.334 4.548 . 0 0 "[ . 1 . 2]" 1
288 1 17 ASN HD22 1 20 GLU HG2 . . 5.500 4.874 2.675 5.546 0.046 4 0 "[ . 1 . 2]" 1
289 1 17 ASN HD22 1 20 GLU QG . . 4.730 3.764 1.958 4.274 . 0 0 "[ . 1 . 2]" 1
290 1 17 ASN HD22 1 20 GLU HG3 . . 5.500 3.949 1.997 4.537 . 0 0 "[ . 1 . 2]" 1
291 1 18 GLN H 1 18 GLN HB2 . . 2.680 2.448 2.311 2.624 . 0 0 "[ . 1 . 2]" 1
292 1 18 GLN H 1 18 GLN HE21 . . 4.790 4.874 4.848 4.884 0.094 7 0 "[ . 1 . 2]" 1
293 1 18 GLN H 1 18 GLN HG2 . . 3.830 3.432 3.058 3.819 . 0 0 "[ . 1 . 2]" 1
294 1 18 GLN H 1 18 GLN HG3 . . 2.590 2.231 1.988 2.585 . 0 0 "[ . 1 . 2]" 1
295 1 18 GLN H 1 19 ALA H . . 2.900 2.861 2.594 2.972 0.072 14 0 "[ . 1 . 2]" 1
296 1 18 GLN H 1 19 ALA MB . . 6.530 4.473 4.126 4.664 . 0 0 "[ . 1 . 2]" 1
297 1 18 GLN HA 1 18 GLN HB3 . . 2.620 2.522 2.433 2.593 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLN HA 1 18 GLN HG2 . . 2.960 2.568 2.407 3.051 0.091 10 0 "[ . 1 . 2]" 1
299 1 18 GLN HA 1 18 GLN HG3 . . 3.640 3.013 2.297 3.376 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLN HA 1 20 GLU H . . 5.100 4.555 4.339 4.901 . 0 0 "[ . 1 . 2]" 1
301 1 18 GLN HA 1 21 LEU H . . 3.670 3.696 3.461 3.746 0.076 5 0 "[ . 1 . 2]" 1
302 1 18 GLN HA 1 21 LEU HB2 . . 3.980 3.942 3.741 4.054 0.074 3 0 "[ . 1 . 2]" 1
303 1 18 GLN HA 1 21 LEU HB3 . . 3.050 2.938 2.762 3.107 0.057 20 0 "[ . 1 . 2]" 1
304 1 18 GLN HA 1 32 ILE MG . . 5.130 2.261 2.147 2.443 . 0 0 "[ . 1 . 2]" 1
305 1 18 GLN HB2 1 19 ALA H . . 2.830 2.493 2.295 2.815 . 0 0 "[ . 1 . 2]" 1
306 1 18 GLN HB3 1 29 GLN HE21 . . 4.690 4.395 2.580 4.769 0.079 4 0 "[ . 1 . 2]" 1
307 1 18 GLN HB3 1 33 GLU H . . 4.570 3.942 3.535 4.212 . 0 0 "[ . 1 . 2]" 1
308 1 18 GLN HE21 1 18 GLN HG2 . . 2.830 2.420 2.101 2.889 0.059 15 0 "[ . 1 . 2]" 1
309 1 18 GLN HE21 1 33 GLU HA . . 3.790 3.307 2.479 3.847 0.057 15 0 "[ . 1 . 2]" 1
310 1 18 GLN HE22 1 18 GLN HG2 . . 3.790 3.611 3.493 3.796 0.006 15 0 "[ . 1 . 2]" 1
311 1 18 GLN HE22 1 32 ILE MG . . 6.530 4.407 3.719 5.328 . 0 0 "[ . 1 . 2]" 1
312 1 18 GLN HE22 1 33 GLU QG . . 5.290 3.757 3.060 4.784 . 0 0 "[ . 1 . 2]" 1
313 1 18 GLN HG2 1 33 GLU H . . 5.220 4.799 4.061 5.267 0.047 14 0 "[ . 1 . 2]" 1
314 1 18 GLN HG3 1 19 ALA H . . 5.500 4.389 4.144 4.559 . 0 0 "[ . 1 . 2]" 1
315 1 18 GLN HG3 1 32 ILE MG . . 4.640 3.633 2.783 3.780 . 0 0 "[ . 1 . 2]" 1
316 1 19 ALA H 1 19 ALA HA . . 2.740 2.798 2.770 2.821 0.081 13 0 "[ . 1 . 2]" 1
317 1 19 ALA H 1 19 ALA MB . . 3.430 2.204 2.124 2.246 . 0 0 "[ . 1 . 2]" 1
318 1 19 ALA H 1 20 GLU H . . 2.740 2.806 2.780 2.824 0.084 14 0 "[ . 1 . 2]" 1
319 1 19 ALA H 1 29 GLN HA . . 4.570 4.527 4.253 4.654 0.084 4 0 "[ . 1 . 2]" 1
320 1 19 ALA H 1 29 GLN QB . . 6.380 4.151 3.830 4.547 . 0 0 "[ . 1 . 2]" 1
321 1 19 ALA HA 1 22 ALA MB . . 3.680 2.413 2.158 2.629 . 0 0 "[ . 1 . 2]" 1
322 1 19 ALA HA 1 23 GLN H . . 4.010 3.924 3.775 4.081 0.071 7 0 "[ . 1 . 2]" 1
323 1 19 ALA HA 1 29 GLN H . . 4.940 4.109 3.628 4.456 . 0 0 "[ . 1 . 2]" 1
324 1 19 ALA HA 1 29 GLN HA . . 3.210 2.830 2.489 3.164 . 0 0 "[ . 1 . 2]" 1
325 1 19 ALA HA 1 29 GLN HB2 . . 4.260 2.510 2.214 2.970 . 0 0 "[ . 1 . 2]" 1
326 1 19 ALA HA 1 29 GLN QB . . 3.920 2.490 2.202 2.921 . 0 0 "[ . 1 . 2]" 1
327 1 19 ALA HA 1 29 GLN HB3 . . 4.260 4.143 3.921 4.331 0.071 10 0 "[ . 1 . 2]" 1
328 1 19 ALA HA 1 29 GLN QG . . 6.380 2.706 2.160 4.424 . 0 0 "[ . 1 . 2]" 1
329 1 19 ALA MB 1 20 GLU H . . 3.950 2.582 2.224 2.761 . 0 0 "[ . 1 . 2]" 1
330 1 19 ALA MB 1 20 GLU QG . . 5.920 3.089 2.678 3.361 . 0 0 "[ . 1 . 2]" 1
331 1 19 ALA MB 1 23 GLN H . . 6.530 4.433 4.223 4.660 . 0 0 "[ . 1 . 2]" 1
332 1 19 ALA MB 1 29 GLN H . . 6.310 4.640 4.003 5.151 . 0 0 "[ . 1 . 2]" 1
333 1 19 ALA MB 1 29 GLN HE21 . . 6.530 5.029 4.493 5.259 . 0 0 "[ . 1 . 2]" 1
334 1 19 ALA MB 1 29 GLN HE22 . . 6.530 4.917 4.683 5.293 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU H 1 20 GLU HB2 . . 3.790 2.452 2.218 2.644 . 0 0 "[ . 1 . 2]" 1
336 1 20 GLU H 1 20 GLU QB . . 3.370 2.409 2.193 2.583 . 0 0 "[ . 1 . 2]" 1
337 1 20 GLU H 1 20 GLU HB3 . . 3.790 3.543 3.425 3.641 . 0 0 "[ . 1 . 2]" 1
338 1 20 GLU H 1 20 GLU HG2 . . 2.930 2.562 1.876 3.013 0.083 16 0 "[ . 1 . 2]" 1
339 1 20 GLU H 1 20 GLU QG . . 2.650 2.165 1.859 2.513 . 0 0 "[ . 1 . 2]" 1
340 1 20 GLU H 1 20 GLU HG3 . . 2.930 2.669 1.931 3.028 0.098 14 0 "[ . 1 . 2]" 1
341 1 20 GLU H 1 21 LEU H . . 2.870 2.726 2.549 2.923 0.053 13 0 "[ . 1 . 2]" 1
342 1 20 GLU HA 1 20 GLU QB . . 2.670 2.380 2.302 2.443 . 0 0 "[ . 1 . 2]" 1
343 1 20 GLU HA 1 20 GLU QG . . 3.820 2.546 2.244 2.884 . 0 0 "[ . 1 . 2]" 1
344 1 20 GLU HA 1 23 GLN H . . 3.390 3.389 2.965 3.476 0.086 10 0 "[ . 1 . 2]" 1
345 1 20 GLU QB 1 21 LEU H . . 2.950 2.430 2.311 2.586 . 0 0 "[ . 1 . 2]" 1
346 1 20 GLU HB2 1 21 LEU H . . 3.520 2.475 2.345 2.654 . 0 0 "[ . 1 . 2]" 1
347 1 20 GLU HB3 1 21 LEU H . . 3.520 3.556 3.426 3.598 0.078 5 0 "[ . 1 . 2]" 1
348 1 20 GLU QG 1 21 LEU H . . 5.040 3.949 3.727 4.167 . 0 0 "[ . 1 . 2]" 1
349 1 20 GLU HG2 1 21 LEU H . . 5.500 4.563 4.162 4.864 . 0 0 "[ . 1 . 2]" 1
350 1 20 GLU HG3 1 21 LEU H . . 5.500 4.372 3.944 4.766 . 0 0 "[ . 1 . 2]" 1
351 1 21 LEU H 1 21 LEU HB2 . . 2.590 2.589 2.497 2.655 0.065 13 0 "[ . 1 . 2]" 1
352 1 21 LEU H 1 21 LEU MD1 . . 5.290 4.177 4.059 4.252 . 0 0 "[ . 1 . 2]" 1
353 1 21 LEU H 1 21 LEU QD . . 4.920 3.807 3.753 3.852 . 0 0 "[ . 1 . 2]" 1
354 1 21 LEU H 1 21 LEU MD2 . . 5.290 4.391 4.346 4.430 . 0 0 "[ . 1 . 2]" 1
355 1 21 LEU H 1 21 LEU HG . . 5.340 4.510 4.485 4.549 . 0 0 "[ . 1 . 2]" 1
356 1 21 LEU H 1 22 ALA H . . 2.770 2.676 2.575 2.802 0.032 4 0 "[ . 1 . 2]" 1
357 1 21 LEU H 1 22 ALA MB . . 6.530 4.296 4.245 4.408 . 0 0 "[ . 1 . 2]" 1
358 1 21 LEU HA 1 21 LEU HB2 . . 2.680 2.478 2.420 2.545 . 0 0 "[ . 1 . 2]" 1
359 1 21 LEU QD 1 22 ALA H . . 5.040 3.856 3.650 4.011 . 0 0 "[ . 1 . 2]" 1
360 1 21 LEU QD 1 49 LEU HA . . 5.770 4.047 3.661 4.264 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU QD 1 53 LEU H . . 6.420 3.877 3.240 4.269 . 0 0 "[ . 1 . 2]" 1
362 1 21 LEU MD1 1 22 ALA H . . 5.410 4.528 4.456 4.588 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU MD2 1 22 ALA H . . 5.410 4.197 3.837 4.492 . 0 0 "[ . 1 . 2]" 1
364 1 21 LEU HG 1 22 ALA HA . . 5.500 3.700 3.493 3.972 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU HG 1 32 ILE MD . . 3.950 2.722 2.332 3.171 . 0 0 "[ . 1 . 2]" 1
366 1 22 ALA H 1 22 ALA HA . . 2.900 2.778 2.735 2.841 . 0 0 "[ . 1 . 2]" 1
367 1 22 ALA H 1 22 ALA MB . . 3.430 2.219 2.176 2.279 . 0 0 "[ . 1 . 2]" 1
368 1 22 ALA H 1 23 GLN H . . 2.930 2.920 2.739 2.998 0.068 20 0 "[ . 1 . 2]" 1
369 1 22 ALA H 1 24 LYS H . . 4.540 4.442 4.241 4.606 0.066 14 0 "[ . 1 . 2]" 1
370 1 22 ALA H 1 27 VAL MG2 . . 6.530 4.184 4.105 4.261 . 0 0 "[ . 1 . 2]" 1
371 1 22 ALA H 1 32 ILE MD . . 6.500 3.778 3.479 3.983 . 0 0 "[ . 1 . 2]" 1
372 1 22 ALA H 1 32 ILE QG . . 5.200 2.752 2.608 2.937 . 0 0 "[ . 1 . 2]" 1
373 1 22 ALA HA 1 24 LYS H . . 4.720 4.667 4.449 4.788 0.068 17 0 "[ . 1 . 2]" 1
374 1 22 ALA HA 1 25 VAL H . . 3.700 3.669 3.427 3.773 0.073 5 0 "[ . 1 . 2]" 1
375 1 22 ALA HA 1 25 VAL HB . . 3.110 3.134 3.000 3.177 0.067 16 0 "[ . 1 . 2]" 1
376 1 22 ALA HA 1 25 VAL MG1 . . 6.530 4.474 4.345 4.604 . 0 0 "[ . 1 . 2]" 1
377 1 22 ALA HA 1 26 GLY H . . 4.600 4.175 3.864 4.483 . 0 0 "[ . 1 . 2]" 1
378 1 22 ALA HA 1 27 VAL H . . 3.670 3.383 3.228 3.570 . 0 0 "[ . 1 . 2]" 1
379 1 22 ALA HA 1 27 VAL MG2 . . 3.640 1.978 1.888 2.074 . 0 0 "[ . 1 . 2]" 1
380 1 22 ALA HA 1 32 ILE MD . . 4.110 2.545 2.332 2.830 . 0 0 "[ . 1 . 2]" 1
381 1 22 ALA HA 1 32 ILE HG12 . . 3.760 3.112 2.854 3.424 . 0 0 "[ . 1 . 2]" 1
382 1 22 ALA HA 1 32 ILE QG . . 3.400 2.825 2.605 3.024 . 0 0 "[ . 1 . 2]" 1
383 1 22 ALA HA 1 32 ILE HG13 . . 3.760 3.245 2.962 3.448 . 0 0 "[ . 1 . 2]" 1
384 1 22 ALA MB 1 23 GLN H . . 3.860 2.363 2.234 2.524 . 0 0 "[ . 1 . 2]" 1
385 1 22 ALA MB 1 24 LYS H . . 6.530 4.587 4.459 4.702 . 0 0 "[ . 1 . 2]" 1
386 1 22 ALA MB 1 27 VAL H . . 5.320 3.643 3.498 3.885 . 0 0 "[ . 1 . 2]" 1
387 1 22 ALA MB 1 27 VAL MG1 . . 7.560 4.482 4.321 4.625 . 0 0 "[ . 1 . 2]" 1
388 1 22 ALA MB 1 27 VAL MG2 . . 5.700 2.251 2.092 2.406 . 0 0 "[ . 1 . 2]" 1
389 1 22 ALA MB 1 28 ASP H . . 6.000 3.874 3.574 4.038 . 0 0 "[ . 1 . 2]" 1
390 1 22 ALA MB 1 28 ASP HA . . 4.200 3.252 3.004 3.406 . 0 0 "[ . 1 . 2]" 1
391 1 22 ALA MB 1 29 GLN H . . 4.880 3.155 2.955 3.319 . 0 0 "[ . 1 . 2]" 1
392 1 22 ALA MB 1 29 GLN HA . . 3.580 2.158 2.023 2.399 . 0 0 "[ . 1 . 2]" 1
393 1 22 ALA MB 1 32 ILE H . . 6.530 3.579 3.388 3.714 . 0 0 "[ . 1 . 2]" 1
394 1 22 ALA MB 1 32 ILE HB . . 4.510 3.464 3.278 3.527 . 0 0 "[ . 1 . 2]" 1
395 1 22 ALA MB 1 32 ILE MD . . 7.030 3.152 2.944 3.386 . 0 0 "[ . 1 . 2]" 1
396 1 23 GLN H 1 23 GLN HA . . 2.900 2.809 2.750 2.865 . 0 0 "[ . 1 . 2]" 1
397 1 23 GLN H 1 23 GLN HB2 . . 4.070 2.303 2.062 2.568 . 0 0 "[ . 1 . 2]" 1
398 1 23 GLN H 1 23 GLN QB . . 3.230 2.200 2.038 2.434 . 0 0 "[ . 1 . 2]" 1
399 1 23 GLN H 1 23 GLN HB3 . . 4.070 3.020 2.332 3.613 . 0 0 "[ . 1 . 2]" 1
400 1 23 GLN H 1 24 LYS H . . 2.800 2.857 2.828 2.879 0.079 14 0 "[ . 1 . 2]" 1
401 1 23 GLN H 1 25 VAL MG2 . . 6.530 5.166 4.828 5.360 . 0 0 "[ . 1 . 2]" 1
402 1 23 GLN QB 1 24 LYS H . . 3.620 2.646 2.340 3.017 . 0 0 "[ . 1 . 2]" 1
403 1 23 GLN QG 1 24 LYS H . . 6.380 4.115 3.342 4.828 . 0 0 "[ . 1 . 2]" 1
404 1 24 LYS H 1 24 LYS HB2 . . 3.270 3.334 3.208 3.363 0.093 14 0 "[ . 1 . 2]" 1
405 1 24 LYS H 1 24 LYS QB . . 2.810 2.083 2.011 2.129 . 0 0 "[ . 1 . 2]" 1
406 1 24 LYS H 1 24 LYS HB3 . . 3.270 2.105 2.028 2.155 . 0 0 "[ . 1 . 2]" 1
407 1 24 LYS H 1 24 LYS HD2 . . 5.040 4.061 2.991 4.873 . 0 0 "[ . 1 . 2]" 1
408 1 24 LYS H 1 24 LYS QD . . 4.340 3.266 2.513 3.918 . 0 0 "[ . 1 . 2]" 1
409 1 24 LYS H 1 24 LYS HD3 . . 5.040 3.447 2.701 4.134 . 0 0 "[ . 1 . 2]" 1
410 1 24 LYS H 1 24 LYS QG . . 4.490 3.485 2.705 4.000 . 0 0 "[ . 1 . 2]" 1
411 1 24 LYS H 1 25 VAL MG2 . . 6.280 4.090 3.883 4.238 . 0 0 "[ . 1 . 2]" 1
412 1 24 LYS H 1 26 GLY H . . 4.480 3.986 3.733 4.247 . 0 0 "[ . 1 . 2]" 1
413 1 24 LYS H 1 52 ALA MB . . 6.530 5.447 5.349 5.526 . 0 0 "[ . 1 . 2]" 1
414 1 24 LYS QB 1 25 VAL H . . 4.270 3.668 3.432 3.880 . 0 0 "[ . 1 . 2]" 1
415 1 24 LYS QE 1 25 VAL MG1 . . 6.260 4.639 4.599 4.686 . 0 0 "[ . 1 . 2]" 1
416 1 24 LYS QE 1 53 LEU H . . 4.570 4.109 3.927 4.202 . 0 0 "[ . 1 . 2]" 1
417 1 24 LYS HE2 1 53 LEU H . . 4.850 4.677 4.269 4.924 0.074 17 0 "[ . 1 . 2]" 1
418 1 24 LYS HE3 1 53 LEU H . . 4.850 4.598 4.260 4.911 0.061 1 0 "[ . 1 . 2]" 1
419 1 25 VAL H 1 25 VAL HB . . 2.460 2.510 2.401 2.552 0.092 16 0 "[ . 1 . 2]" 1
420 1 25 VAL H 1 25 VAL MG2 . . 3.610 2.384 2.147 2.680 . 0 0 "[ . 1 . 2]" 1
421 1 25 VAL H 1 26 GLY H . . 2.520 2.292 2.038 2.535 0.015 8 0 "[ . 1 . 2]" 1
422 1 25 VAL H 1 27 VAL MG2 . . 6.530 3.813 3.622 4.017 . 0 0 "[ . 1 . 2]" 1
423 1 25 VAL H 1 52 ALA MB . . 6.000 4.106 3.760 4.579 . 0 0 "[ . 1 . 2]" 1
424 1 25 VAL HA 1 52 ALA MB . . 5.880 2.794 2.205 3.478 . 0 0 "[ . 1 . 2]" 1
425 1 25 VAL HB 1 26 GLY H . . 3.110 2.899 2.474 3.187 0.077 15 0 "[ . 1 . 2]" 1
426 1 25 VAL HB 1 27 VAL H . . 3.580 2.803 2.445 3.062 . 0 0 "[ . 1 . 2]" 1
427 1 25 VAL HB 1 27 VAL MG1 . . 3.680 2.779 2.492 2.876 . 0 0 "[ . 1 . 2]" 1
428 1 25 VAL MG1 1 26 GLY H . . 5.880 3.857 3.549 4.176 . 0 0 "[ . 1 . 2]" 1
429 1 25 VAL MG1 1 27 VAL H . . 5.940 3.721 3.272 4.260 . 0 0 "[ . 1 . 2]" 1
430 1 25 VAL MG1 1 27 VAL MG1 . . 5.970 2.261 2.017 2.700 . 0 0 "[ . 1 . 2]" 1
431 1 25 VAL MG1 1 45 PHE HB2 . . 4.760 3.111 2.163 3.482 . 0 0 "[ . 1 . 2]" 1
432 1 25 VAL MG1 1 45 PHE HB3 . . 5.540 4.340 3.290 4.645 . 0 0 "[ . 1 . 2]" 1
433 1 25 VAL MG1 1 45 PHE QD . . 6.730 2.929 2.100 3.524 . 0 0 "[ . 1 . 2]" 1
434 1 25 VAL MG1 1 48 GLU H . . 6.530 4.429 4.062 4.610 . 0 0 "[ . 1 . 2]" 1
435 1 25 VAL MG1 1 48 GLU HB2 . . 4.200 2.976 2.421 3.547 . 0 0 "[ . 1 . 2]" 1
436 1 25 VAL MG1 1 48 GLU HB3 . . 4.200 2.542 2.124 2.832 . 0 0 "[ . 1 . 2]" 1
437 1 25 VAL MG1 1 48 GLU QG . . 6.410 4.073 3.258 4.441 . 0 0 "[ . 1 . 2]" 1
438 1 25 VAL MG1 1 49 LEU H . . 5.230 3.029 2.755 3.223 . 0 0 "[ . 1 . 2]" 1
439 1 25 VAL MG1 1 49 LEU HA . . 4.050 2.124 1.905 2.524 . 0 0 "[ . 1 . 2]" 1
440 1 25 VAL MG1 1 52 ALA H . . 6.530 4.028 3.540 4.728 . 0 0 "[ . 1 . 2]" 1
441 1 25 VAL MG2 1 27 VAL H . . 5.350 4.327 3.952 4.546 . 0 0 "[ . 1 . 2]" 1
442 1 25 VAL MG2 1 27 VAL MG1 . . 7.180 3.877 3.687 4.024 . 0 0 "[ . 1 . 2]" 1
443 1 25 VAL MG2 1 49 LEU H . . 6.060 4.465 3.834 4.804 . 0 0 "[ . 1 . 2]" 1
444 1 25 VAL MG2 1 49 LEU HA . . 3.890 2.212 1.949 2.522 . 0 0 "[ . 1 . 2]" 1
445 1 25 VAL MG2 1 52 ALA H . . 6.530 4.021 3.575 4.445 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLY H 1 27 VAL H . . 2.590 2.198 1.982 2.409 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLY H 1 27 VAL MG1 . . 6.530 3.790 3.389 4.021 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLY H 1 27 VAL MG2 . . 5.780 3.550 3.347 3.725 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLY QA 1 27 VAL H . . 3.210 2.955 2.807 3.021 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLY HA2 1 27 VAL H . . 3.420 3.223 2.953 3.449 0.029 1 0 "[ . 1 . 2]" 1
451 1 26 GLY HA3 1 27 VAL H . . 3.420 3.459 3.264 3.508 0.088 9 0 "[ . 1 . 2]" 1
452 1 27 VAL H 1 27 VAL HB . . 3.520 3.607 3.583 3.618 0.098 20 0 "[ . 1 . 2]" 1
453 1 27 VAL H 1 27 VAL MG1 . . 4.540 2.465 2.183 2.706 . 0 0 "[ . 1 . 2]" 1
454 1 27 VAL H 1 27 VAL MG2 . . 3.580 2.122 2.017 2.250 . 0 0 "[ . 1 . 2]" 1
455 1 27 VAL HA 1 27 VAL HB . . 2.400 2.376 2.323 2.447 0.047 15 0 "[ . 1 . 2]" 1
456 1 27 VAL HA 1 27 VAL MG1 . . 3.490 2.422 2.351 2.481 . 0 0 "[ . 1 . 2]" 1
457 1 27 VAL HA 1 28 ASP H . . 2.770 2.637 2.566 2.712 . 0 0 "[ . 1 . 2]" 1
458 1 27 VAL HB 1 28 ASP H . . 2.400 2.396 2.294 2.468 0.068 5 0 "[ . 1 . 2]" 1
459 1 27 VAL HB 1 32 ILE MD . . 5.100 4.145 4.125 4.160 . 0 0 "[ . 1 . 2]" 1
460 1 27 VAL MG1 1 28 ASP H . . 4.920 3.894 3.792 3.988 . 0 0 "[ . 1 . 2]" 1
461 1 27 VAL MG1 1 31 ALA MB . . 6.690 3.303 3.048 3.622 . 0 0 "[ . 1 . 2]" 1
462 1 27 VAL MG1 1 32 ILE MD . . 7.460 3.781 3.601 3.921 . 0 0 "[ . 1 . 2]" 1
463 1 27 VAL MG1 1 45 PHE HB2 . . 6.530 2.892 2.433 3.307 . 0 0 "[ . 1 . 2]" 1
464 1 27 VAL MG1 1 45 PHE HB3 . . 5.940 3.009 2.473 3.413 . 0 0 "[ . 1 . 2]" 1
465 1 27 VAL MG1 1 45 PHE QD . . 7.160 2.656 2.461 2.843 . 0 0 "[ . 1 . 2]" 1
466 1 27 VAL MG1 1 45 PHE QE . . 7.470 3.157 2.825 3.506 . 0 0 "[ . 1 . 2]" 1
467 1 27 VAL MG1 1 45 PHE HZ . . 5.470 3.836 3.329 4.335 . 0 0 "[ . 1 . 2]" 1
468 1 27 VAL MG2 1 28 ASP H . . 4.260 3.158 3.051 3.275 . 0 0 "[ . 1 . 2]" 1
469 1 27 VAL MG2 1 29 GLN HA . . 6.530 4.337 4.110 4.683 . 0 0 "[ . 1 . 2]" 1
470 1 27 VAL MG2 1 31 ALA H . . 6.530 4.182 3.933 4.388 . 0 0 "[ . 1 . 2]" 1
471 1 27 VAL MG2 1 31 ALA MB . . 5.540 2.369 2.171 2.689 . 0 0 "[ . 1 . 2]" 1
472 1 27 VAL MG2 1 32 ILE H . . 5.440 3.675 3.467 3.943 . 0 0 "[ . 1 . 2]" 1
473 1 27 VAL MG2 1 32 ILE HA . . 6.160 4.407 4.186 4.639 . 0 0 "[ . 1 . 2]" 1
474 1 27 VAL MG2 1 32 ILE HB . . 6.470 4.691 4.473 4.892 . 0 0 "[ . 1 . 2]" 1
475 1 27 VAL MG2 1 32 ILE MD . . 5.540 2.149 2.082 2.224 . 0 0 "[ . 1 . 2]" 1
476 1 27 VAL MG2 1 32 ILE QG . . 5.420 2.669 2.455 2.878 . 0 0 "[ . 1 . 2]" 1
477 1 27 VAL MG2 1 45 PHE QD . . 8.650 3.953 3.434 4.301 . 0 0 "[ . 1 . 2]" 1
478 1 27 VAL MG2 1 45 PHE QE . . 8.000 3.377 2.788 3.769 . 0 0 "[ . 1 . 2]" 1
479 1 27 VAL MG2 1 45 PHE HZ . . 4.950 3.687 2.879 3.924 . 0 0 "[ . 1 . 2]" 1
480 1 28 ASP H 1 28 ASP HB2 . . 3.240 3.313 3.077 3.328 0.088 15 0 "[ . 1 . 2]" 1
481 1 28 ASP H 1 28 ASP HB3 . . 3.240 3.242 3.129 3.332 0.092 6 0 "[ . 1 . 2]" 1
482 1 28 ASP H 1 31 ALA MB . . 4.200 2.542 2.236 2.867 . 0 0 "[ . 1 . 2]" 1
483 1 28 ASP HA 1 28 ASP HB2 . . 2.770 2.747 2.707 2.850 0.080 6 0 "[ . 1 . 2]" 1
484 1 28 ASP HA 1 28 ASP QB . . 2.570 2.148 2.064 2.178 . 0 0 "[ . 1 . 2]" 1
485 1 28 ASP HA 1 28 ASP HB3 . . 2.770 2.244 2.119 2.285 . 0 0 "[ . 1 . 2]" 1
486 1 28 ASP HA 1 29 GLN H . . 2.680 2.345 2.229 2.443 . 0 0 "[ . 1 . 2]" 1
487 1 28 ASP HA 1 30 GLN H . . 5.500 4.102 3.998 4.215 . 0 0 "[ . 1 . 2]" 1
488 1 28 ASP QB 1 29 GLN H . . 3.100 2.727 2.563 2.837 . 0 0 "[ . 1 . 2]" 1
489 1 28 ASP QB 1 31 ALA H . . 4.690 2.582 2.242 3.039 . 0 0 "[ . 1 . 2]" 1
490 1 28 ASP HB2 1 29 GLN H . . 3.550 2.870 2.663 3.043 . 0 0 "[ . 1 . 2]" 1
491 1 28 ASP HB2 1 30 GLN H . . 3.830 2.240 2.043 2.458 . 0 0 "[ . 1 . 2]" 1
492 1 28 ASP HB2 1 31 ALA H . . 4.880 2.610 2.255 3.093 . 0 0 "[ . 1 . 2]" 1
493 1 28 ASP HB3 1 29 GLN H . . 3.550 3.420 3.077 3.560 0.010 8 0 "[ . 1 . 2]" 1
494 1 28 ASP HB3 1 30 GLN H . . 3.830 3.781 3.528 3.900 0.070 17 0 "[ . 1 . 2]" 1
495 1 28 ASP HB3 1 31 ALA H . . 4.880 4.112 3.822 4.468 . 0 0 "[ . 1 . 2]" 1
496 1 29 GLN H 1 29 GLN HB2 . . 3.760 2.472 2.193 2.697 . 0 0 "[ . 1 . 2]" 1
497 1 29 GLN H 1 29 GLN QB . . 3.170 2.211 2.036 2.339 . 0 0 "[ . 1 . 2]" 1
498 1 29 GLN H 1 29 GLN HB3 . . 3.760 2.528 2.107 2.844 . 0 0 "[ . 1 . 2]" 1
499 1 29 GLN H 1 30 GLN H . . 3.050 2.679 2.464 2.891 . 0 0 "[ . 1 . 2]" 1
500 1 29 GLN HA 1 30 GLN H . . 3.640 3.561 3.520 3.600 . 0 0 "[ . 1 . 2]" 1
501 1 29 GLN HA 1 31 ALA H . . 4.510 4.341 4.149 4.553 0.043 13 0 "[ . 1 . 2]" 1
502 1 29 GLN HA 1 32 ILE H . . 3.610 3.451 3.261 3.637 0.027 12 0 "[ . 1 . 2]" 1
503 1 29 GLN HA 1 32 ILE QG . . 6.380 3.013 2.654 3.380 . 0 0 "[ . 1 . 2]" 1
504 1 29 GLN HA 1 33 GLU H . . 4.760 4.417 4.212 4.784 0.024 12 0 "[ . 1 . 2]" 1
505 1 29 GLN HE21 1 30 GLN HA . . 3.790 3.837 3.460 3.880 0.090 3 0 "[ . 1 . 2]" 1
506 1 29 GLN HE21 1 33 GLU QB . . 4.950 3.278 2.363 4.061 . 0 0 "[ . 1 . 2]" 1
507 1 29 GLN QG 1 30 GLN H . . 6.380 3.805 2.953 4.435 . 0 0 "[ . 1 . 2]" 1
508 1 30 GLN H 1 30 GLN HA . . 2.900 2.767 2.736 2.799 . 0 0 "[ . 1 . 2]" 1
509 1 30 GLN H 1 30 GLN HB2 . . 3.210 2.239 2.078 2.433 . 0 0 "[ . 1 . 2]" 1
510 1 30 GLN H 1 30 GLN QB . . 2.910 2.142 2.037 2.263 . 0 0 "[ . 1 . 2]" 1
511 1 30 GLN H 1 30 GLN HB3 . . 3.210 2.824 2.494 3.150 . 0 0 "[ . 1 . 2]" 1
512 1 30 GLN H 1 31 ALA H . . 2.870 2.907 2.823 2.933 0.063 19 0 "[ . 1 . 2]" 1
513 1 30 GLN H 1 32 ILE H . . 5.070 4.319 4.196 4.494 . 0 0 "[ . 1 . 2]" 1
514 1 30 GLN HA 1 30 GLN QB . . 2.720 2.458 2.373 2.582 . 0 0 "[ . 1 . 2]" 1
515 1 30 GLN HA 1 31 ALA H . . 3.610 3.619 3.594 3.646 0.036 17 0 "[ . 1 . 2]" 1
516 1 30 GLN HA 1 32 ILE H . . 4.170 4.194 4.046 4.247 0.077 14 0 "[ . 1 . 2]" 1
517 1 30 GLN HA 1 33 GLU H . . 4.200 3.201 3.006 3.305 . 0 0 "[ . 1 . 2]" 1
518 1 30 GLN HA 1 33 GLU QG . . 4.550 3.849 3.623 4.086 . 0 0 "[ . 1 . 2]" 1
519 1 30 GLN HA 1 34 GLN H . . 5.130 3.747 3.490 3.981 . 0 0 "[ . 1 . 2]" 1
520 1 30 GLN QB 1 31 ALA H . . 3.910 2.745 2.560 2.943 . 0 0 "[ . 1 . 2]" 1
521 1 30 GLN HB2 1 31 ALA H . . 4.570 3.824 3.424 4.080 . 0 0 "[ . 1 . 2]" 1
522 1 30 GLN HB3 1 31 ALA H . . 4.570 2.819 2.601 3.057 . 0 0 "[ . 1 . 2]" 1
523 1 30 GLN QG 1 31 ALA H . . 6.380 4.217 3.842 4.659 . 0 0 "[ . 1 . 2]" 1
524 1 31 ALA H 1 31 ALA HA . . 2.900 2.816 2.762 2.860 . 0 0 "[ . 1 . 2]" 1
525 1 31 ALA H 1 31 ALA MB . . 3.430 2.255 2.189 2.302 . 0 0 "[ . 1 . 2]" 1
526 1 31 ALA H 1 32 ILE H . . 2.830 2.825 2.655 2.892 0.062 12 0 "[ . 1 . 2]" 1
527 1 31 ALA H 1 33 GLU H . . 4.450 4.244 4.095 4.373 . 0 0 "[ . 1 . 2]" 1
528 1 31 ALA HA 1 33 GLU H . . 4.480 4.537 4.446 4.554 0.074 10 0 "[ . 1 . 2]" 1
529 1 31 ALA HA 1 34 GLN H . . 3.700 3.668 3.494 3.763 0.063 17 0 "[ . 1 . 2]" 1
530 1 31 ALA HA 1 34 GLN QB . . 4.520 3.819 3.466 4.044 . 0 0 "[ . 1 . 2]" 1
531 1 31 ALA HA 1 35 LEU H . . 4.110 4.120 3.992 4.183 0.073 16 0 "[ . 1 . 2]" 1
532 1 31 ALA MB 1 32 ILE H . . 4.050 2.786 2.651 2.895 . 0 0 "[ . 1 . 2]" 1
533 1 31 ALA MB 1 32 ILE HA . . 6.530 3.969 3.848 4.086 . 0 0 "[ . 1 . 2]" 1
534 1 31 ALA MB 1 32 ILE MD . . 7.150 3.041 2.617 3.373 . 0 0 "[ . 1 . 2]" 1
535 1 31 ALA MB 1 33 GLU H . . 6.530 4.663 4.550 4.770 . 0 0 "[ . 1 . 2]" 1
536 1 31 ALA MB 1 34 GLN H . . 6.470 4.860 4.742 4.939 . 0 0 "[ . 1 . 2]" 1
537 1 31 ALA MB 1 35 LEU H . . 6.530 4.767 4.606 4.920 . 0 0 "[ . 1 . 2]" 1
538 1 31 ALA MB 1 45 PHE QE . . 7.010 2.464 2.243 2.724 . 0 0 "[ . 1 . 2]" 1
539 1 31 ALA MB 1 45 PHE HZ . . 4.110 2.362 2.219 2.594 . 0 0 "[ . 1 . 2]" 1
540 1 32 ILE H 1 32 ILE HB . . 2.460 2.490 2.461 2.512 0.052 8 0 "[ . 1 . 2]" 1
541 1 32 ILE H 1 32 ILE MD . . 5.290 3.078 2.851 3.228 . 0 0 "[ . 1 . 2]" 1
542 1 32 ILE H 1 32 ILE HG12 . . 3.670 2.279 2.255 2.311 . 0 0 "[ . 1 . 2]" 1
543 1 32 ILE H 1 32 ILE QG . . 3.050 2.260 2.238 2.291 . 0 0 "[ . 1 . 2]" 1
544 1 32 ILE H 1 32 ILE HG13 . . 3.670 3.741 3.734 3.749 0.079 14 0 "[ . 1 . 2]" 1
545 1 32 ILE H 1 33 GLU H . . 2.800 2.503 2.389 2.594 . 0 0 "[ . 1 . 2]" 1
546 1 32 ILE H 1 34 GLN H . . 4.600 4.205 4.085 4.316 . 0 0 "[ . 1 . 2]" 1
547 1 32 ILE HA 1 32 ILE MD . . 3.430 2.235 2.186 2.308 . 0 0 "[ . 1 . 2]" 1
548 1 32 ILE HA 1 35 LEU H . . 3.730 3.389 3.265 3.497 . 0 0 "[ . 1 . 2]" 1
549 1 32 ILE HA 1 35 LEU HB2 . . 3.020 2.378 2.296 2.467 . 0 0 "[ . 1 . 2]" 1
550 1 32 ILE HA 1 35 LEU HB3 . . 3.610 3.652 3.498 3.683 0.073 16 0 "[ . 1 . 2]" 1
551 1 32 ILE HA 1 36 GLU H . . 4.350 4.049 3.836 4.234 . 0 0 "[ . 1 . 2]" 1
552 1 32 ILE HB 1 33 GLU H . . 3.020 2.707 2.516 2.813 . 0 0 "[ . 1 . 2]" 1
553 1 32 ILE MD 1 45 PHE QD . . 8.650 4.717 3.936 5.233 . 0 0 "[ . 1 . 2]" 1
554 1 32 ILE MD 1 45 PHE QE . . 7.220 3.359 2.435 4.160 . 0 0 "[ . 1 . 2]" 1
555 1 32 ILE MD 1 45 PHE HZ . . 5.410 3.574 2.678 4.179 . 0 0 "[ . 1 . 2]" 1
556 1 32 ILE MD 1 49 LEU QD . . 7.730 2.215 1.913 2.988 . 0 0 "[ . 1 . 2]" 1
557 1 32 ILE MG 1 33 GLU H . . 5.350 3.581 3.458 3.692 . 0 0 "[ . 1 . 2]" 1
558 1 32 ILE MG 1 33 GLU HA . . 5.970 3.678 3.469 3.835 . 0 0 "[ . 1 . 2]" 1
559 1 32 ILE MG 1 36 GLU H . . 6.530 4.024 3.802 4.294 . 0 0 "[ . 1 . 2]" 1
560 1 32 ILE MG 1 36 GLU HG3 . . 4.110 2.836 2.625 3.028 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLU H 1 35 LEU H . . 4.820 4.040 3.855 4.185 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLU HA 1 35 LEU H . . 4.570 4.336 4.143 4.525 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLU HA 1 36 GLU H . . 3.920 3.453 3.083 3.634 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLU HA 1 37 ASN H . . 4.260 4.298 4.093 4.348 0.088 15 0 "[ . 1 . 2]" 1
565 1 33 GLU HA 1 37 ASN HD21 . . 5.220 4.937 3.984 5.295 0.075 20 0 "[ . 1 . 2]" 1
566 1 33 GLU QB 1 34 GLN H . . 4.490 2.485 2.300 2.859 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLU QG 1 34 GLN H . . 6.380 3.452 2.912 3.947 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLU QG 1 37 ASN HD21 . . 4.830 3.079 2.637 3.614 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLU QG 1 37 ASN HD22 . . 4.870 3.769 2.488 4.463 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLU HG2 1 37 ASN HD21 . . 5.500 4.184 3.127 4.751 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLU HG2 1 37 ASN HD22 . . 5.500 4.694 3.639 5.574 0.074 20 0 "[ . 1 . 2]" 1
572 1 33 GLU HG3 1 37 ASN HD21 . . 5.500 3.305 2.660 4.653 . 0 0 "[ . 1 . 2]" 1
573 1 33 GLU HG3 1 37 ASN HD22 . . 5.500 4.143 2.534 5.429 . 0 0 "[ . 1 . 2]" 1
574 1 34 GLN H 1 34 GLN HG2 . . 3.950 2.454 2.095 2.872 . 0 0 "[ . 1 . 2]" 1
575 1 34 GLN H 1 34 GLN QG . . 3.460 2.419 2.079 2.813 . 0 0 "[ . 1 . 2]" 1
576 1 34 GLN H 1 34 GLN HG3 . . 3.950 3.700 3.408 4.016 0.066 12 0 "[ . 1 . 2]" 1
577 1 34 GLN H 1 35 LEU H . . 2.900 2.710 2.567 2.772 . 0 0 "[ . 1 . 2]" 1
578 1 34 GLN HA 1 34 GLN HG2 . . 4.070 3.744 3.646 3.847 . 0 0 "[ . 1 . 2]" 1
579 1 34 GLN HA 1 34 GLN QG . . 3.550 3.308 3.253 3.325 . 0 0 "[ . 1 . 2]" 1
580 1 34 GLN HA 1 34 GLN HG3 . . 4.070 3.689 3.564 3.802 . 0 0 "[ . 1 . 2]" 1
581 1 34 GLN HA 1 37 ASN H . . 4.010 3.259 3.080 3.578 . 0 0 "[ . 1 . 2]" 1
582 1 34 GLN HA 1 37 ASN HB3 . . 3.980 3.914 3.400 4.064 0.084 12 0 "[ . 1 . 2]" 1
583 1 34 GLN HA 1 37 ASN HD21 . . 4.290 2.516 1.898 3.087 . 0 0 "[ . 1 . 2]" 1
584 1 34 GLN HA 1 37 ASN HD22 . . 4.010 2.860 2.109 4.092 0.082 11 0 "[ . 1 . 2]" 1
585 1 34 GLN QB 1 35 LEU H . . 3.930 3.629 3.539 3.649 . 0 0 "[ . 1 . 2]" 1
586 1 34 GLN QG 1 36 GLU H . . 4.890 4.481 4.449 4.504 . 0 0 "[ . 1 . 2]" 1
587 1 35 LEU H 1 35 LEU HA . . 2.800 2.847 2.823 2.867 0.067 7 0 "[ . 1 . 2]" 1
588 1 35 LEU H 1 35 LEU HB2 . . 2.460 2.030 2.009 2.059 . 0 0 "[ . 1 . 2]" 1
589 1 35 LEU H 1 35 LEU HB3 . . 3.240 3.319 3.306 3.325 0.085 2 0 "[ . 1 . 2]" 1
590 1 35 LEU H 1 35 LEU MD1 . . 5.570 3.600 3.222 3.809 . 0 0 "[ . 1 . 2]" 1
591 1 35 LEU H 1 35 LEU HG . . 3.390 3.151 3.052 3.451 0.061 14 0 "[ . 1 . 2]" 1
592 1 35 LEU H 1 36 GLU H . . 2.740 2.541 2.480 2.572 . 0 0 "[ . 1 . 2]" 1
593 1 35 LEU H 1 40 ALA MB . . 5.190 3.983 3.635 4.228 . 0 0 "[ . 1 . 2]" 1
594 1 35 LEU HA 1 35 LEU MD2 . . 3.710 2.185 2.081 2.796 . 0 0 "[ . 1 . 2]" 1
595 1 35 LEU HA 1 35 LEU HG . . 3.270 2.373 2.087 2.464 . 0 0 "[ . 1 . 2]" 1
596 1 35 LEU HA 1 38 GLY H . . 3.450 3.382 3.191 3.524 0.074 7 0 "[ . 1 . 2]" 1
597 1 35 LEU HA 1 40 ALA H . . 3.240 2.582 2.414 2.807 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU HA 1 40 ALA MB . . 3.710 2.731 2.508 2.862 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU HB2 1 36 GLU H . . 3.300 2.888 2.672 3.163 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU HB3 1 36 GLU H . . 3.450 3.087 2.913 3.273 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU MD1 1 45 PHE QE . . 6.260 2.300 2.052 2.772 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU MD1 1 45 PHE HZ . . 4.140 2.082 1.925 2.295 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU MD2 1 36 GLU H . . 6.530 4.623 4.480 4.732 . 0 0 "[ . 1 . 2]" 1
604 1 35 LEU MD2 1 43 PRO QD . . 6.500 2.494 2.097 3.091 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU MD2 1 45 PHE QE . . 6.790 4.172 3.863 4.541 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU MD2 1 45 PHE HZ . . 4.980 4.159 4.130 4.209 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU HG 1 40 ALA H . . 3.640 3.729 3.717 3.736 0.096 16 0 "[ . 1 . 2]" 1
608 1 35 LEU HG 1 45 PHE QD . . 7.310 6.357 6.038 6.705 . 0 0 "[ . 1 . 2]" 1
609 1 35 LEU HG 1 45 PHE HZ . . 5.500 3.550 3.143 4.524 . 0 0 "[ . 1 . 2]" 1
610 1 36 GLU H 1 36 GLU HB2 . . 3.580 2.370 2.258 2.475 . 0 0 "[ . 1 . 2]" 1
611 1 36 GLU H 1 36 GLU QB . . 3.130 2.339 2.232 2.437 . 0 0 "[ . 1 . 2]" 1
612 1 36 GLU H 1 36 GLU HB3 . . 3.580 3.594 3.516 3.644 0.064 1 0 "[ . 1 . 2]" 1
613 1 36 GLU H 1 36 GLU HG2 . . 4.230 3.769 3.547 4.107 . 0 0 "[ . 1 . 2]" 1
614 1 36 GLU H 1 36 GLU HG3 . . 3.170 2.750 2.343 3.234 0.064 8 0 "[ . 1 . 2]" 1
615 1 36 GLU H 1 37 ASN H . . 3.080 2.770 2.606 2.903 . 0 0 "[ . 1 . 2]" 1
616 1 36 GLU HA 1 36 GLU HG2 . . 3.420 2.335 2.170 2.495 . 0 0 "[ . 1 . 2]" 1
617 1 36 GLU HA 1 36 GLU HG3 . . 3.610 2.929 2.544 3.188 . 0 0 "[ . 1 . 2]" 1
618 1 36 GLU HA 1 38 GLY H . . 4.170 3.768 3.471 3.987 . 0 0 "[ . 1 . 2]" 1
619 1 36 GLU QB 1 37 ASN H . . 3.600 2.810 2.478 3.150 . 0 0 "[ . 1 . 2]" 1
620 1 36 GLU HB2 1 37 ASN H . . 3.920 2.945 2.563 3.306 . 0 0 "[ . 1 . 2]" 1
621 1 36 GLU HB3 1 37 ASN H . . 3.920 3.574 3.135 3.963 0.043 10 0 "[ . 1 . 2]" 1
622 1 37 ASN H 1 37 ASN HB2 . . 3.520 3.144 2.011 3.612 0.092 10 0 "[ . 1 . 2]" 1
623 1 37 ASN H 1 37 ASN HB3 . . 3.240 2.731 2.373 3.339 0.099 6 0 "[ . 1 . 2]" 1
624 1 37 ASN H 1 37 ASN HD21 . . 5.500 3.281 2.478 3.707 . 0 0 "[ . 1 . 2]" 1
625 1 37 ASN H 1 38 GLY H . . 2.830 2.653 2.474 2.884 0.054 8 0 "[ . 1 . 2]" 1
626 1 37 ASN H 1 39 LYS H . . 3.670 3.702 3.332 3.758 0.088 15 0 "[ . 1 . 2]" 1
627 1 37 ASN HA 1 37 ASN HB3 . . 3.020 2.576 2.467 2.814 . 0 0 "[ . 1 . 2]" 1
628 1 37 ASN HB2 1 37 ASN HD21 . . 3.450 2.926 2.168 3.472 0.022 18 0 "[ . 1 . 2]" 1
629 1 37 ASN HB3 1 38 GLY H . . 5.500 4.210 3.561 4.466 . 0 0 "[ . 1 . 2]" 1
630 1 37 ASN HB3 1 39 LYS H . . 4.880 4.311 2.659 4.924 0.044 1 0 "[ . 1 . 2]" 1
631 1 37 ASN HD21 1 39 LYS QG . . 4.800 4.175 3.931 4.404 . 0 0 "[ . 1 . 2]" 1
632 1 37 ASN HD22 1 39 LYS QD . . 5.850 4.621 2.918 5.337 . 0 0 "[ . 1 . 2]" 1
633 1 38 GLY H 1 38 GLY HA2 . . 2.900 2.306 2.232 2.358 . 0 0 "[ . 1 . 2]" 1
634 1 38 GLY H 1 38 GLY QA . . 2.660 2.224 2.155 2.270 . 0 0 "[ . 1 . 2]" 1
635 1 38 GLY H 1 38 GLY HA3 . . 2.900 2.917 2.842 2.960 0.060 20 0 "[ . 1 . 2]" 1
636 1 38 GLY H 1 39 LYS H . . 2.930 2.534 2.364 2.732 . 0 0 "[ . 1 . 2]" 1
637 1 38 GLY HA2 1 39 LYS H . . 3.610 3.221 3.139 3.322 . 0 0 "[ . 1 . 2]" 1
638 1 38 GLY HA3 1 39 LYS H . . 3.610 3.476 3.414 3.566 . 0 0 "[ . 1 . 2]" 1
639 1 39 LYS H 1 39 LYS HB2 . . 3.240 2.147 2.016 3.046 . 0 0 "[ . 1 . 2]" 1
640 1 39 LYS H 1 39 LYS QB . . 3.020 2.043 1.917 2.113 . 0 0 "[ . 1 . 2]" 1
641 1 39 LYS H 1 39 LYS HB3 . . 3.240 3.182 1.974 3.322 0.082 7 0 "[ . 1 . 2]" 1
642 1 39 LYS H 1 39 LYS HG2 . . 4.510 3.749 3.321 4.286 . 0 0 "[ . 1 . 2]" 1
643 1 39 LYS H 1 39 LYS QG . . 3.910 3.293 3.039 3.646 . 0 0 "[ . 1 . 2]" 1
644 1 39 LYS H 1 39 LYS HG3 . . 4.510 3.791 3.130 4.235 . 0 0 "[ . 1 . 2]" 1
645 1 39 LYS H 1 40 ALA H . . 2.900 2.720 2.505 2.904 0.004 3 0 "[ . 1 . 2]" 1
646 1 39 LYS H 1 40 ALA MB . . 5.500 4.481 4.235 4.571 . 0 0 "[ . 1 . 2]" 1
647 1 39 LYS HA 1 39 LYS QG . . 3.650 2.430 2.172 3.339 . 0 0 "[ . 1 . 2]" 1
648 1 40 ALA H 1 40 ALA MB . . 3.580 2.293 2.139 2.461 . 0 0 "[ . 1 . 2]" 1
649 1 40 ALA H 1 41 LYS H . . 4.450 4.229 3.826 4.501 0.051 15 0 "[ . 1 . 2]" 1
650 1 40 ALA HA 1 41 LYS H . . 2.400 2.247 2.168 2.366 . 0 0 "[ . 1 . 2]" 1
651 1 40 ALA HA 1 42 ARG H . . 4.660 4.386 3.527 4.732 0.072 4 0 "[ . 1 . 2]" 1
652 1 40 ALA MB 1 41 LYS H . . 4.300 3.243 2.560 3.682 . 0 0 "[ . 1 . 2]" 1
653 1 40 ALA MB 1 43 PRO QD . . 7.400 2.914 2.121 3.736 . 0 0 "[ . 1 . 2]" 1
654 1 41 LYS H 1 41 LYS HB2 . . 3.330 2.595 2.217 3.022 . 0 0 "[ . 1 . 2]" 1
655 1 41 LYS H 1 41 LYS QB . . 3.150 2.343 2.114 2.618 . 0 0 "[ . 1 . 2]" 1
656 1 41 LYS H 1 41 LYS HB3 . . 3.330 2.695 2.563 2.934 . 0 0 "[ . 1 . 2]" 1
657 1 41 LYS H 1 41 LYS QD . . 4.980 4.375 4.091 4.543 . 0 0 "[ . 1 . 2]" 1
658 1 41 LYS H 1 41 LYS HG2 . . 4.880 4.551 4.317 4.934 0.054 15 0 "[ . 1 . 2]" 1
659 1 41 LYS H 1 41 LYS QG . . 4.740 4.101 3.884 4.312 . 0 0 "[ . 1 . 2]" 1
660 1 41 LYS H 1 41 LYS HG3 . . 4.880 4.667 4.406 4.954 0.074 2 0 "[ . 1 . 2]" 1
661 1 41 LYS H 1 42 ARG H . . 2.930 2.762 2.310 2.994 0.064 9 0 "[ . 1 . 2]" 1
662 1 41 LYS QB 1 42 ARG H . . 4.450 2.283 1.970 2.754 . 0 0 "[ . 1 . 2]" 1
663 1 41 LYS QD 1 42 ARG H . . 5.480 3.429 2.717 4.689 . 0 0 "[ . 1 . 2]" 1
664 1 41 LYS QD 1 43 PRO QD . . 6.260 4.746 4.199 5.086 . 0 0 "[ . 1 . 2]" 1
665 1 42 ARG H 1 42 ARG HB2 . . 3.140 3.215 3.104 3.249 0.109 16 0 "[ . 1 . 2]" 1
666 1 42 ARG H 1 42 ARG HB3 . . 3.830 2.974 2.399 3.879 0.049 14 0 "[ . 1 . 2]" 1
667 1 42 ARG H 1 43 PRO HD2 . . 5.130 4.493 4.070 4.913 . 0 0 "[ . 1 . 2]" 1
668 1 42 ARG H 1 43 PRO QD . . 4.790 3.641 3.036 4.182 . 0 0 "[ . 1 . 2]" 1
669 1 42 ARG H 1 43 PRO HD3 . . 5.130 3.860 3.133 4.530 . 0 0 "[ . 1 . 2]" 1
670 1 42 ARG H 1 61 LEU QD . . 8.100 5.464 5.005 5.736 . 0 0 "[ . 1 . 2]" 1
671 1 42 ARG HA 1 42 ARG HB3 . . 2.990 2.710 2.175 3.039 0.049 4 0 "[ . 1 . 2]" 1
672 1 42 ARG HA 1 43 PRO HD2 . . 2.680 2.154 2.056 2.319 . 0 0 "[ . 1 . 2]" 1
673 1 42 ARG HA 1 43 PRO HD3 . . 2.680 2.679 2.376 2.767 0.087 15 0 "[ . 1 . 2]" 1
674 1 42 ARG HB2 1 42 ARG HE . . 3.860 3.234 2.250 3.941 0.081 17 0 "[ . 1 . 2]" 1
675 1 42 ARG HB3 1 42 ARG HE . . 4.380 3.669 2.118 4.463 0.083 3 0 "[ . 1 . 2]" 1
676 1 42 ARG QD 1 46 LEU QD . . 8.450 3.870 2.031 5.068 . 0 0 "[ . 1 . 2]" 1
677 1 42 ARG QD 1 61 LEU QD . . 8.320 4.051 2.209 5.083 . 0 0 "[ . 1 . 2]" 1
678 1 43 PRO HA 1 44 ARG H . . 2.430 2.348 2.193 2.478 0.048 16 0 "[ . 1 . 2]" 1
679 1 43 PRO HA 1 45 PHE QD . . 7.620 5.078 4.688 5.599 . 0 0 "[ . 1 . 2]" 1
680 1 43 PRO HA 1 45 PHE QE . . 7.620 4.753 4.239 5.217 . 0 0 "[ . 1 . 2]" 1
681 1 43 PRO HB2 1 45 PHE H . . 3.610 2.622 2.154 3.079 . 0 0 "[ . 1 . 2]" 1
682 1 43 PRO HB2 1 45 PHE QD . . 7.620 3.161 2.519 3.500 . 0 0 "[ . 1 . 2]" 1
683 1 43 PRO HB2 1 45 PHE QE . . 7.400 2.982 2.487 3.274 . 0 0 "[ . 1 . 2]" 1
684 1 43 PRO HB3 1 45 PHE QD . . 7.620 4.427 4.111 4.841 . 0 0 "[ . 1 . 2]" 1
685 1 43 PRO HB3 1 45 PHE QE . . 6.850 3.408 3.102 3.821 . 0 0 "[ . 1 . 2]" 1
686 1 43 PRO QD 1 46 LEU QD . . 4.500 2.137 1.961 2.511 . 0 0 "[ . 1 . 2]" 1
687 1 43 PRO HD2 1 46 LEU MD1 . . 5.470 2.276 2.061 3.074 . 0 0 "[ . 1 . 2]" 1
688 1 43 PRO HD2 1 46 LEU MD2 . . 5.470 2.904 2.289 3.771 . 0 0 "[ . 1 . 2]" 1
689 1 43 PRO HD3 1 46 LEU MD1 . . 5.470 3.456 3.009 4.126 . 0 0 "[ . 1 . 2]" 1
690 1 43 PRO HD3 1 46 LEU MD2 . . 5.470 4.242 3.775 4.629 . 0 0 "[ . 1 . 2]" 1
691 1 43 PRO QG 1 45 PHE QE . . 8.440 3.116 2.530 3.912 . 0 0 "[ . 1 . 2]" 1
692 1 43 PRO QG 1 45 PHE HZ . . 6.380 3.478 2.583 4.214 . 0 0 "[ . 1 . 2]" 1
693 1 43 PRO QG 1 46 LEU H . . 6.130 2.910 2.421 3.404 . 0 0 "[ . 1 . 2]" 1
694 1 44 ARG H 1 44 ARG HB2 . . 3.860 3.610 3.510 3.685 . 0 0 "[ . 1 . 2]" 1
695 1 44 ARG H 1 44 ARG QB . . 3.660 2.445 2.205 2.788 . 0 0 "[ . 1 . 2]" 1
696 1 44 ARG H 1 44 ARG HB3 . . 3.860 2.489 2.229 2.900 . 0 0 "[ . 1 . 2]" 1
697 1 44 ARG H 1 45 PHE H . . 3.270 2.828 2.550 3.063 . 0 0 "[ . 1 . 2]" 1
698 1 44 ARG H 1 45 PHE QD . . 7.620 3.900 3.338 4.394 . 0 0 "[ . 1 . 2]" 1
699 1 44 ARG HA 1 44 ARG HB2 . . 2.740 2.418 2.317 2.575 . 0 0 "[ . 1 . 2]" 1
700 1 44 ARG HA 1 44 ARG HB3 . . 2.740 2.461 2.309 2.594 . 0 0 "[ . 1 . 2]" 1
701 1 44 ARG HA 1 45 PHE H . . 3.550 3.475 3.206 3.565 0.015 6 0 "[ . 1 . 2]" 1
702 1 44 ARG HA 1 46 LEU H . . 3.980 3.927 3.709 4.053 0.073 20 0 "[ . 1 . 2]" 1
703 1 44 ARG HB2 1 44 ARG HE . . 5.500 4.096 2.538 4.876 . 0 0 "[ . 1 . 2]" 1
704 1 44 ARG HB3 1 44 ARG HE . . 5.500 4.110 2.271 4.700 . 0 0 "[ . 1 . 2]" 1
705 1 45 PHE H 1 45 PHE HB3 . . 4.040 2.732 2.469 3.275 . 0 0 "[ . 1 . 2]" 1
706 1 45 PHE H 1 46 LEU H . . 3.790 2.820 2.080 3.144 . 0 0 "[ . 1 . 2]" 1
707 1 45 PHE HA 1 45 PHE HB2 . . 2.620 2.469 2.368 2.527 . 0 0 "[ . 1 . 2]" 1
708 1 45 PHE HA 1 45 PHE HB3 . . 2.520 2.417 2.360 2.489 . 0 0 "[ . 1 . 2]" 1
709 1 45 PHE HA 1 46 LEU H . . 3.520 3.263 3.111 3.462 . 0 0 "[ . 1 . 2]" 1
710 1 45 PHE HA 1 47 PRO HD2 . . 3.860 3.315 2.879 3.887 0.027 17 0 "[ . 1 . 2]" 1
711 1 45 PHE HA 1 48 GLU H . . 3.790 3.546 3.272 3.777 . 0 0 "[ . 1 . 2]" 1
712 1 45 PHE HB2 1 48 GLU H . . 4.940 4.040 3.678 4.480 . 0 0 "[ . 1 . 2]" 1
713 1 45 PHE HB2 1 48 GLU QB . . 4.830 2.544 2.124 3.289 . 0 0 "[ . 1 . 2]" 1
714 1 45 PHE HB2 1 49 LEU H . . 5.500 3.643 3.428 3.882 . 0 0 "[ . 1 . 2]" 1
715 1 45 PHE HB3 1 48 GLU QB . . 5.630 3.934 3.551 4.515 . 0 0 "[ . 1 . 2]" 1
716 1 45 PHE QD 1 46 LEU HA . . 7.220 3.489 2.820 4.373 . 0 0 "[ . 1 . 2]" 1
717 1 45 PHE QD 1 49 LEU H . . 7.400 2.936 2.690 3.412 . 0 0 "[ . 1 . 2]" 1
718 1 45 PHE QD 1 49 LEU HB2 . . 5.200 2.109 2.002 2.191 . 0 0 "[ . 1 . 2]" 1
719 1 45 PHE QD 1 49 LEU HB3 . . 6.940 3.187 2.777 3.798 . 0 0 "[ . 1 . 2]" 1
720 1 45 PHE QD 1 49 LEU MD1 . . 8.460 3.439 2.916 3.919 . 0 0 "[ . 1 . 2]" 1
721 1 45 PHE QD 1 49 LEU QD . . 8.110 3.251 2.821 3.661 . 0 0 "[ . 1 . 2]" 1
722 1 45 PHE QD 1 49 LEU MD2 . . 8.460 4.188 3.398 4.810 . 0 0 "[ . 1 . 2]" 1
723 1 45 PHE QE 1 49 LEU HB2 . . 6.410 2.817 2.402 3.501 . 0 0 "[ . 1 . 2]" 1
724 1 45 PHE QE 1 49 LEU MD1 . . 7.560 2.362 1.991 3.336 . 0 0 "[ . 1 . 2]" 1
725 1 45 PHE QE 1 49 LEU QD . . 7.100 2.196 1.985 2.549 . 0 0 "[ . 1 . 2]" 1
726 1 45 PHE QE 1 49 LEU MD2 . . 7.560 3.357 2.212 3.964 . 0 0 "[ . 1 . 2]" 1
727 1 45 PHE HZ 1 49 LEU MD1 . . 6.530 3.927 3.444 5.137 . 0 0 "[ . 1 . 2]" 1
728 1 45 PHE HZ 1 49 LEU QD . . 6.240 3.685 3.398 4.095 . 0 0 "[ . 1 . 2]" 1
729 1 45 PHE HZ 1 49 LEU MD2 . . 6.530 5.141 3.940 5.508 . 0 0 "[ . 1 . 2]" 1
730 1 46 LEU H 1 46 LEU HB2 . . 3.210 2.255 1.978 2.371 . 0 0 "[ . 1 . 2]" 1
731 1 46 LEU H 1 46 LEU QB . . 2.720 2.077 1.962 2.114 . 0 0 "[ . 1 . 2]" 1
732 1 46 LEU H 1 46 LEU HB3 . . 3.210 2.523 2.311 3.282 0.072 5 0 "[ . 1 . 2]" 1
733 1 46 LEU H 1 46 LEU HG . . 4.260 4.269 3.460 4.351 0.091 20 0 "[ . 1 . 2]" 1
734 1 46 LEU H 1 47 PRO HD2 . . 3.550 2.682 2.508 2.831 . 0 0 "[ . 1 . 2]" 1
735 1 46 LEU H 1 47 PRO HD3 . . 3.670 3.585 3.182 3.726 0.056 10 0 "[ . 1 . 2]" 1
736 1 46 LEU HA 1 46 LEU HG . . 3.950 3.027 2.313 3.341 . 0 0 "[ . 1 . 2]" 1
737 1 46 LEU HA 1 49 LEU H . . 3.520 3.536 3.411 3.601 0.081 5 0 "[ . 1 . 2]" 1
738 1 46 LEU HA 1 49 LEU MD1 . . 6.400 4.494 3.383 5.293 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU HA 1 49 LEU QD . . 5.230 3.609 3.272 3.958 . 0 0 "[ . 1 . 2]" 1
740 1 46 LEU HA 1 49 LEU MD2 . . 6.400 4.100 3.319 5.158 . 0 0 "[ . 1 . 2]" 1
741 1 46 LEU HA 1 50 ALA H . . 3.730 3.802 3.750 3.818 0.088 17 0 "[ . 1 . 2]" 1
742 1 46 LEU QB 1 47 PRO HD2 . . 3.830 2.834 2.654 3.242 . 0 0 "[ . 1 . 2]" 1
743 1 46 LEU QD 1 50 ALA H . . 7.260 3.880 3.386 4.516 . 0 0 "[ . 1 . 2]" 1
744 1 46 LEU HG 1 60 LEU HB2 . . 4.450 4.350 3.778 4.545 0.095 14 0 "[ . 1 . 2]" 1
745 1 47 PRO HA 1 50 ALA H . . 3.640 3.364 3.153 3.560 . 0 0 "[ . 1 . 2]" 1
746 1 47 PRO HA 1 50 ALA MB . . 3.860 2.513 2.328 2.678 . 0 0 "[ . 1 . 2]" 1
747 1 47 PRO HA 1 57 VAL MG2 . . 3.520 1.987 1.907 2.156 . 0 0 "[ . 1 . 2]" 1
748 1 47 PRO QB 1 49 LEU H . . 6.380 5.206 5.089 5.315 . 0 0 "[ . 1 . 2]" 1
749 1 47 PRO QB 1 57 VAL MG2 . . 6.470 2.238 2.121 2.347 . 0 0 "[ . 1 . 2]" 1
750 1 47 PRO HD2 1 48 GLU H . . 3.580 2.968 2.542 3.219 . 0 0 "[ . 1 . 2]" 1
751 1 47 PRO HD3 1 48 GLU H . . 4.630 4.078 3.821 4.239 . 0 0 "[ . 1 . 2]" 1
752 1 47 PRO QG 1 48 GLU H . . 3.770 2.686 2.394 3.005 . 0 0 "[ . 1 . 2]" 1
753 1 47 PRO QG 1 57 VAL MG2 . . 5.020 3.678 3.500 3.777 . 0 0 "[ . 1 . 2]" 1
754 1 48 GLU H 1 48 GLU HB2 . . 3.450 2.347 2.133 2.510 . 0 0 "[ . 1 . 2]" 1
755 1 48 GLU H 1 48 GLU QB . . 2.990 2.312 2.101 2.459 . 0 0 "[ . 1 . 2]" 1
756 1 48 GLU H 1 48 GLU HB3 . . 3.450 3.502 3.160 3.533 0.083 11 0 "[ . 1 . 2]" 1
757 1 48 GLU H 1 48 GLU HG2 . . 5.500 3.583 2.403 4.163 . 0 0 "[ . 1 . 2]" 1
758 1 48 GLU H 1 48 GLU HG3 . . 5.500 3.057 2.094 4.510 . 0 0 "[ . 1 . 2]" 1
759 1 48 GLU H 1 49 LEU H . . 2.710 2.415 2.329 2.540 . 0 0 "[ . 1 . 2]" 1
760 1 48 GLU H 1 49 LEU HB3 . . 4.910 4.659 4.433 4.908 . 0 0 "[ . 1 . 2]" 1
761 1 48 GLU H 1 50 ALA H . . 3.830 3.890 3.819 3.916 0.086 11 0 "[ . 1 . 2]" 1
762 1 48 GLU HA 1 48 GLU QB . . 2.700 2.414 2.329 2.583 . 0 0 "[ . 1 . 2]" 1
763 1 48 GLU HA 1 51 ARG H . . 3.640 3.531 3.107 3.702 0.062 19 0 "[ . 1 . 2]" 1
764 1 48 GLU HA 1 51 ARG QD . . 6.380 4.205 2.618 5.797 . 0 0 "[ . 1 . 2]" 1
765 1 48 GLU HA 1 51 ARG HE . . 5.500 4.488 3.330 5.571 0.071 16 0 "[ . 1 . 2]" 1
766 1 48 GLU HA 1 52 ALA H . . 4.140 3.825 3.379 4.062 . 0 0 "[ . 1 . 2]" 1
767 1 48 GLU QB 1 49 LEU H . . 3.120 2.517 2.262 2.810 . 0 0 "[ . 1 . 2]" 1
768 1 48 GLU HB2 1 49 LEU H . . 3.450 2.610 2.289 3.171 . 0 0 "[ . 1 . 2]" 1
769 1 48 GLU HB3 1 49 LEU H . . 3.450 3.468 2.834 3.532 0.082 12 0 "[ . 1 . 2]" 1
770 1 48 GLU QG 1 49 LEU H . . 6.380 4.210 3.771 4.620 . 0 0 "[ . 1 . 2]" 1
771 1 49 LEU H 1 49 LEU HA . . 2.930 2.858 2.819 2.912 . 0 0 "[ . 1 . 2]" 1
772 1 49 LEU H 1 49 LEU HB2 . . 2.560 2.498 2.228 2.627 0.067 7 0 "[ . 1 . 2]" 1
773 1 49 LEU H 1 49 LEU HB3 . . 2.560 2.590 2.442 2.645 0.085 12 0 "[ . 1 . 2]" 1
774 1 49 LEU H 1 50 ALA H . . 2.650 2.688 2.552 2.726 0.076 16 0 "[ . 1 . 2]" 1
775 1 49 LEU H 1 50 ALA MB . . 6.220 4.415 4.248 4.463 . 0 0 "[ . 1 . 2]" 1
776 1 49 LEU H 1 51 ARG H . . 5.280 4.321 4.144 4.501 . 0 0 "[ . 1 . 2]" 1
777 1 49 LEU H 1 52 ALA H . . 5.500 4.748 4.670 4.937 . 0 0 "[ . 1 . 2]" 1
778 1 49 LEU H 1 52 ALA MB . . 6.530 4.685 4.433 5.126 . 0 0 "[ . 1 . 2]" 1
779 1 49 LEU HA 1 49 LEU HB2 . . 2.430 2.463 2.406 2.514 0.084 8 0 "[ . 1 . 2]" 1
780 1 49 LEU HB2 1 50 ALA H . . 3.760 3.775 3.582 3.843 0.083 10 0 "[ . 1 . 2]" 1
781 1 49 LEU HB3 1 50 ALA H . . 2.960 2.509 2.320 2.693 . 0 0 "[ . 1 . 2]" 1
782 1 49 LEU QD 1 50 ALA H . . 7.320 3.418 3.032 3.760 . 0 0 "[ . 1 . 2]" 1
783 1 49 LEU QD 1 53 LEU H . . 5.800 3.784 3.082 4.411 . 0 0 "[ . 1 . 2]" 1
784 1 49 LEU MD1 1 53 LEU H . . 6.530 5.111 3.495 5.521 . 0 0 "[ . 1 . 2]" 1
785 1 49 LEU MD2 1 53 LEU H . . 6.530 4.238 3.098 5.543 . 0 0 "[ . 1 . 2]" 1
786 1 50 ALA H 1 50 ALA HA . . 2.870 2.870 2.842 2.932 0.062 16 0 "[ . 1 . 2]" 1
787 1 50 ALA H 1 50 ALA MB . . 3.430 2.274 2.243 2.320 . 0 0 "[ . 1 . 2]" 1
788 1 50 ALA H 1 51 ARG H . . 2.900 2.910 2.792 2.970 0.070 10 0 "[ . 1 . 2]" 1
789 1 50 ALA H 1 52 ALA H . . 4.420 4.354 4.181 4.474 0.054 18 0 "[ . 1 . 2]" 1
790 1 50 ALA H 1 57 VAL MG2 . . 5.850 3.871 3.553 4.290 . 0 0 "[ . 1 . 2]" 1
791 1 50 ALA H 1 60 LEU QD . . 6.520 2.991 2.563 3.406 . 0 0 "[ . 1 . 2]" 1
792 1 50 ALA HA 1 52 ALA H . . 4.630 4.612 4.444 4.686 0.056 15 0 "[ . 1 . 2]" 1
793 1 50 ALA HA 1 53 LEU H . . 3.300 3.369 3.251 3.389 0.089 12 0 "[ . 1 . 2]" 1
794 1 50 ALA HA 1 53 LEU HB3 . . 2.710 2.750 2.602 2.810 0.100 11 0 "[ . 1 . 2]" 1
795 1 50 ALA HA 1 53 LEU QD . . 8.100 3.414 2.986 3.889 . 0 0 "[ . 1 . 2]" 1
796 1 50 ALA HA 1 53 LEU HG . . 5.040 4.886 3.914 5.125 0.085 7 0 "[ . 1 . 2]" 1
797 1 50 ALA HA 1 54 GLY H . . 4.600 3.979 3.729 4.262 . 0 0 "[ . 1 . 2]" 1
798 1 50 ALA MB 1 51 ARG H . . 3.890 2.494 2.338 2.645 . 0 0 "[ . 1 . 2]" 1
799 1 50 ALA MB 1 52 ALA H . . 6.530 4.655 4.559 4.774 . 0 0 "[ . 1 . 2]" 1
800 1 50 ALA MB 1 55 VAL H . . 5.690 3.549 3.308 3.669 . 0 0 "[ . 1 . 2]" 1
801 1 50 ALA MB 1 56 ALA HA . . 4.820 3.208 2.814 3.512 . 0 0 "[ . 1 . 2]" 1
802 1 50 ALA MB 1 57 VAL H . . 4.820 3.147 2.888 3.383 . 0 0 "[ . 1 . 2]" 1
803 1 50 ALA MB 1 57 VAL HA . . 3.710 2.690 2.347 2.929 . 0 0 "[ . 1 . 2]" 1
804 1 50 ALA MB 1 58 ASP H . . 6.530 4.879 4.644 5.109 . 0 0 "[ . 1 . 2]" 1
805 1 51 ARG H 1 51 ARG HA . . 2.830 2.837 2.810 2.893 0.063 10 0 "[ . 1 . 2]" 1
806 1 51 ARG H 1 51 ARG QB . . 3.680 2.244 2.101 3.003 . 0 0 "[ . 1 . 2]" 1
807 1 51 ARG H 1 51 ARG HG2 . . 5.130 4.034 2.290 4.584 . 0 0 "[ . 1 . 2]" 1
808 1 51 ARG H 1 51 ARG QG . . 4.280 3.516 2.120 3.959 . 0 0 "[ . 1 . 2]" 1
809 1 51 ARG H 1 51 ARG HG3 . . 5.130 3.952 2.501 4.516 . 0 0 "[ . 1 . 2]" 1
810 1 51 ARG H 1 52 ALA H . . 2.800 2.820 2.741 2.868 0.068 18 0 "[ . 1 . 2]" 1
811 1 51 ARG H 1 52 ALA MB . . 6.530 4.454 4.298 4.556 . 0 0 "[ . 1 . 2]" 1
812 1 51 ARG H 1 57 VAL MG2 . . 6.530 4.407 4.151 4.669 . 0 0 "[ . 1 . 2]" 1
813 1 51 ARG HA 1 51 ARG QG . . 3.660 2.452 2.167 3.302 . 0 0 "[ . 1 . 2]" 1
814 1 51 ARG HA 1 54 GLY H . . 3.420 3.413 3.224 3.494 0.074 18 0 "[ . 1 . 2]" 1
815 1 51 ARG HA 1 55 VAL H . . 3.700 3.598 3.141 3.769 0.069 11 0 "[ . 1 . 2]" 1
816 1 51 ARG QB 1 52 ALA H . . 3.960 2.552 2.366 3.480 . 0 0 "[ . 1 . 2]" 1
817 1 51 ARG QG 1 52 ALA H . . 6.250 3.889 2.543 4.562 . 0 0 "[ . 1 . 2]" 1
818 1 52 ALA H 1 52 ALA HA . . 2.770 2.832 2.804 2.846 0.076 18 0 "[ . 1 . 2]" 1
819 1 52 ALA H 1 52 ALA MB . . 3.430 2.198 2.079 2.287 . 0 0 "[ . 1 . 2]" 1
820 1 52 ALA H 1 53 LEU H . . 2.740 2.757 2.660 2.807 0.067 16 0 "[ . 1 . 2]" 1
821 1 52 ALA MB 1 53 LEU H . . 4.020 2.737 2.374 3.076 . 0 0 "[ . 1 . 2]" 1
822 1 52 ALA MB 1 54 GLY H . . 5.850 4.484 4.335 4.661 . 0 0 "[ . 1 . 2]" 1
823 1 53 LEU H 1 53 LEU HB2 . . 3.480 2.289 1.982 2.538 . 0 0 "[ . 1 . 2]" 1
824 1 53 LEU H 1 53 LEU HB3 . . 3.050 2.704 2.500 3.138 0.088 16 0 "[ . 1 . 2]" 1
825 1 53 LEU H 1 54 GLY H . . 2.620 2.550 2.397 2.670 0.050 8 0 "[ . 1 . 2]" 1
826 1 53 LEU HA 1 53 LEU MD1 . . 4.330 2.320 2.033 3.755 . 0 0 "[ . 1 . 2]" 1
827 1 53 LEU HA 1 53 LEU MD2 . . 4.330 3.474 2.008 3.762 . 0 0 "[ . 1 . 2]" 1
828 1 53 LEU HA 1 54 GLY H . . 3.580 3.520 3.476 3.571 . 0 0 "[ . 1 . 2]" 1
829 1 53 LEU HB2 1 54 GLY H . . 4.200 3.779 3.162 4.084 . 0 0 "[ . 1 . 2]" 1
830 1 53 LEU HB3 1 54 GLY H . . 3.020 2.927 2.453 3.104 0.084 18 0 "[ . 1 . 2]" 1
831 1 53 LEU HB3 1 55 VAL H . . 3.270 3.294 3.060 3.340 0.070 11 0 "[ . 1 . 2]" 1
832 1 53 LEU HB3 1 55 VAL MG1 . . 4.420 3.196 2.839 3.451 . 0 0 "[ . 1 . 2]" 1
833 1 53 LEU HB3 1 59 TRP HZ3 . . 5.280 5.071 4.140 5.354 0.074 14 0 "[ . 1 . 2]" 1
834 1 54 GLY H 1 54 GLY HA2 . . 2.560 2.336 2.284 2.389 . 0 0 "[ . 1 . 2]" 1
835 1 54 GLY H 1 55 VAL MG1 . . 6.530 4.012 3.697 4.370 . 0 0 "[ . 1 . 2]" 1
836 1 54 GLY HA2 1 55 VAL H . . 3.420 2.846 2.655 3.057 . 0 0 "[ . 1 . 2]" 1
837 1 55 VAL H 1 55 VAL HB . . 4.110 3.946 3.857 3.991 . 0 0 "[ . 1 . 2]" 1
838 1 55 VAL H 1 55 VAL MG1 . . 4.700 3.089 2.866 3.256 . 0 0 "[ . 1 . 2]" 1
839 1 55 VAL H 1 55 VAL MG2 . . 3.640 2.388 2.150 2.537 . 0 0 "[ . 1 . 2]" 1
840 1 55 VAL HA 1 55 VAL HB . . 2.460 2.416 2.363 2.453 . 0 0 "[ . 1 . 2]" 1
841 1 55 VAL HA 1 55 VAL MG1 . . 3.550 2.475 2.381 2.560 . 0 0 "[ . 1 . 2]" 1
842 1 55 VAL HA 1 56 ALA H . . 2.560 2.551 2.479 2.623 0.063 4 0 "[ . 1 . 2]" 1
843 1 55 VAL HB 1 56 ALA H . . 2.400 2.388 2.302 2.470 0.070 6 0 "[ . 1 . 2]" 1
844 1 55 VAL HB 1 59 TRP HB2 . . 4.910 3.346 3.062 3.634 . 0 0 "[ . 1 . 2]" 1
845 1 55 VAL HB 1 59 TRP HB3 . . 3.760 2.482 2.291 2.730 . 0 0 "[ . 1 . 2]" 1
846 1 55 VAL HB 1 59 TRP HE3 . . 3.080 3.116 2.954 3.147 0.067 8 0 "[ . 1 . 2]" 1
847 1 55 VAL MG1 1 56 ALA H . . 5.100 3.863 3.730 3.968 . 0 0 "[ . 1 . 2]" 1
848 1 55 VAL MG1 1 59 TRP HB3 . . 5.660 3.960 3.697 4.217 . 0 0 "[ . 1 . 2]" 1
849 1 55 VAL MG1 1 59 TRP HD1 . . 6.530 4.892 4.628 5.323 . 0 0 "[ . 1 . 2]" 1
850 1 55 VAL MG1 1 59 TRP HE3 . . 4.540 3.312 3.066 3.620 . 0 0 "[ . 1 . 2]" 1
851 1 55 VAL MG1 1 59 TRP HH2 . . 5.780 3.883 3.471 4.298 . 0 0 "[ . 1 . 2]" 1
852 1 55 VAL MG1 1 59 TRP HZ3 . . 4.610 3.389 3.034 3.696 . 0 0 "[ . 1 . 2]" 1
853 1 55 VAL MG2 1 59 TRP HD1 . . 6.500 5.417 5.386 5.442 . 0 0 "[ . 1 . 2]" 1
854 1 55 VAL MG2 1 59 TRP HE3 . . 3.680 2.097 2.018 2.160 . 0 0 "[ . 1 . 2]" 1
855 1 55 VAL MG2 1 59 TRP HZ3 . . 4.080 2.730 2.413 2.991 . 0 0 "[ . 1 . 2]" 1
856 1 56 ALA H 1 56 ALA MB . . 3.430 2.245 2.187 2.328 . 0 0 "[ . 1 . 2]" 1
857 1 56 ALA H 1 57 VAL H . . 4.910 4.664 4.598 4.739 . 0 0 "[ . 1 . 2]" 1
858 1 56 ALA H 1 59 TRP H . . 3.730 3.511 3.266 3.718 . 0 0 "[ . 1 . 2]" 1
859 1 56 ALA H 1 59 TRP HB2 . . 4.040 2.877 2.562 3.341 . 0 0 "[ . 1 . 2]" 1
860 1 56 ALA H 1 59 TRP HB3 . . 3.580 2.639 2.260 2.852 . 0 0 "[ . 1 . 2]" 1
861 1 56 ALA HA 1 57 VAL H . . 2.400 2.377 2.313 2.449 0.049 16 0 "[ . 1 . 2]" 1
862 1 56 ALA HA 1 58 ASP H . . 4.320 3.989 3.739 4.210 . 0 0 "[ . 1 . 2]" 1
863 1 56 ALA MB 1 57 VAL H . . 4.140 2.641 2.474 2.786 . 0 0 "[ . 1 . 2]" 1
864 1 56 ALA MB 1 58 ASP H . . 4.080 2.269 2.080 2.461 . 0 0 "[ . 1 . 2]" 1
865 1 56 ALA MB 1 58 ASP HB2 . . 4.540 3.233 2.620 3.556 . 0 0 "[ . 1 . 2]" 1
866 1 56 ALA MB 1 59 TRP H . . 3.740 1.999 1.795 2.330 . 0 0 "[ . 1 . 2]" 1
867 1 56 ALA MB 1 59 TRP HB2 . . 4.640 2.712 2.328 3.250 . 0 0 "[ . 1 . 2]" 1
868 1 56 ALA MB 1 59 TRP HB3 . . 4.610 3.083 2.732 3.558 . 0 0 "[ . 1 . 2]" 1
869 1 56 ALA MB 1 60 LEU H . . 5.540 3.879 3.721 4.171 . 0 0 "[ . 1 . 2]" 1
870 1 57 VAL H 1 57 VAL HA . . 2.870 2.900 2.853 2.936 0.066 13 0 "[ . 1 . 2]" 1
871 1 57 VAL H 1 57 VAL MG1 . . 4.260 3.693 3.672 3.707 . 0 0 "[ . 1 . 2]" 1
872 1 57 VAL H 1 57 VAL MG2 . . 3.640 2.266 2.106 2.491 . 0 0 "[ . 1 . 2]" 1
873 1 57 VAL H 1 58 ASP H . . 3.080 2.594 2.346 2.868 . 0 0 "[ . 1 . 2]" 1
874 1 57 VAL H 1 59 TRP H . . 5.160 4.104 3.887 4.357 . 0 0 "[ . 1 . 2]" 1
875 1 57 VAL HA 1 57 VAL MG1 . . 3.430 2.503 2.346 2.658 . 0 0 "[ . 1 . 2]" 1
876 1 57 VAL HA 1 57 VAL MG2 . . 3.710 2.355 2.216 2.510 . 0 0 "[ . 1 . 2]" 1
877 1 57 VAL HA 1 58 ASP H . . 3.610 3.616 3.573 3.670 0.060 9 0 "[ . 1 . 2]" 1
878 1 57 VAL HA 1 60 LEU H . . 3.300 3.114 2.991 3.246 . 0 0 "[ . 1 . 2]" 1
879 1 57 VAL HA 1 60 LEU HB2 . . 3.450 2.123 2.044 2.270 . 0 0 "[ . 1 . 2]" 1
880 1 57 VAL HA 1 60 LEU HB3 . . 3.480 3.570 3.559 3.582 0.102 14 0 "[ . 1 . 2]" 1
881 1 57 VAL HA 1 61 LEU H . . 4.510 3.822 3.685 3.947 . 0 0 "[ . 1 . 2]" 1
882 1 57 VAL HB 1 58 ASP H . . 2.710 2.741 2.576 2.782 0.072 8 0 "[ . 1 . 2]" 1
883 1 57 VAL MG1 1 58 ASP H . . 4.700 3.421 3.222 3.647 . 0 0 "[ . 1 . 2]" 1
884 1 57 VAL MG1 1 58 ASP HA . . 5.470 3.575 3.276 3.836 . 0 0 "[ . 1 . 2]" 1
885 1 57 VAL MG1 1 61 LEU H . . 5.850 3.756 3.608 4.052 . 0 0 "[ . 1 . 2]" 1
886 1 57 VAL MG2 1 58 ASP H . . 5.500 4.009 3.869 4.110 . 0 0 "[ . 1 . 2]" 1
887 1 58 ASP H 1 58 ASP HA . . 2.900 2.828 2.786 2.861 . 0 0 "[ . 1 . 2]" 1
888 1 58 ASP H 1 58 ASP HB2 . . 2.650 2.309 2.086 2.393 . 0 0 "[ . 1 . 2]" 1
889 1 58 ASP H 1 58 ASP HB3 . . 2.900 2.755 2.658 2.982 0.082 9 0 "[ . 1 . 2]" 1
890 1 58 ASP H 1 59 TRP H . . 2.990 2.794 2.571 2.971 . 0 0 "[ . 1 . 2]" 1
891 1 58 ASP H 1 60 LEU H . . 5.500 4.129 3.961 4.222 . 0 0 "[ . 1 . 2]" 1
892 1 58 ASP H 1 61 LEU QD . . 8.100 4.338 3.950 4.882 . 0 0 "[ . 1 . 2]" 1
893 1 58 ASP HA 1 58 ASP HB2 . . 2.800 2.592 2.535 2.715 . 0 0 "[ . 1 . 2]" 1
894 1 58 ASP HA 1 61 LEU H . . 3.300 3.339 2.949 3.388 0.088 16 0 "[ . 1 . 2]" 1
895 1 58 ASP HA 1 61 LEU QB . . 3.650 2.568 2.113 2.864 . 0 0 "[ . 1 . 2]" 1
896 1 58 ASP HA 1 61 LEU QD . . 5.710 2.852 2.228 3.480 . 0 0 "[ . 1 . 2]" 1
897 1 58 ASP HA 1 61 LEU HG . . 4.450 4.176 3.685 4.513 0.063 6 0 "[ . 1 . 2]" 1
898 1 58 ASP HA 1 62 ASN H . . 3.760 3.485 3.186 3.729 . 0 0 "[ . 1 . 2]" 1
899 1 58 ASP HA 1 62 ASN HD21 . . 4.450 2.800 2.237 3.717 . 0 0 "[ . 1 . 2]" 1
900 1 58 ASP HB2 1 59 TRP H . . 3.790 3.826 3.548 3.870 0.080 9 0 "[ . 1 . 2]" 1
901 1 58 ASP HB3 1 59 TRP H . . 3.580 2.738 2.544 3.382 . 0 0 "[ . 1 . 2]" 1
902 1 58 ASP HB3 1 62 ASN HD21 . . 4.110 4.151 4.035 4.201 0.091 5 0 "[ . 1 . 2]" 1
903 1 59 TRP H 1 59 TRP HB2 . . 2.770 2.589 2.449 2.760 . 0 0 "[ . 1 . 2]" 1
904 1 59 TRP H 1 59 TRP HB3 . . 2.560 2.515 2.346 2.601 0.041 12 0 "[ . 1 . 2]" 1
905 1 59 TRP H 1 60 LEU H . . 2.590 2.535 2.416 2.640 0.050 13 0 "[ . 1 . 2]" 1
906 1 59 TRP H 1 60 LEU HG . . 5.250 5.256 4.987 5.324 0.074 9 0 "[ . 1 . 2]" 1
907 1 59 TRP H 1 61 LEU H . . 4.450 4.146 3.836 4.414 . 0 0 "[ . 1 . 2]" 1
908 1 59 TRP HA 1 59 TRP HB2 . . 2.590 2.495 2.423 2.546 . 0 0 "[ . 1 . 2]" 1
909 1 59 TRP HA 1 59 TRP HB3 . . 2.960 3.015 3.004 3.023 0.063 20 0 "[ . 1 . 2]" 1
910 1 59 TRP HA 1 59 TRP HD1 . . 3.550 3.150 2.843 3.324 . 0 0 "[ . 1 . 2]" 1
911 1 59 TRP HA 1 59 TRP HE3 . . 5.100 4.531 4.400 4.674 . 0 0 "[ . 1 . 2]" 1
912 1 59 TRP HA 1 62 ASN H . . 3.890 3.770 3.494 3.961 0.071 17 0 "[ . 1 . 2]" 1
913 1 59 TRP HA 1 63 GLY H . . 2.990 2.377 2.083 2.671 . 0 0 "[ . 1 . 2]" 1
914 1 59 TRP HA 1 63 GLY QA . . 4.490 2.974 2.314 3.394 . 0 0 "[ . 1 . 2]" 1
915 1 59 TRP HA 1 64 ALA H . . 3.390 2.438 1.586 3.097 . 0 0 "[ . 1 . 2]" 1
916 1 59 TRP HB2 1 59 TRP HD1 . . 3.140 2.572 2.484 2.630 . 0 0 "[ . 1 . 2]" 1
917 1 59 TRP HB2 1 60 LEU H . . 4.070 3.864 3.771 4.021 . 0 0 "[ . 1 . 2]" 1
918 1 59 TRP HB3 1 59 TRP HE3 . . 3.110 2.675 2.572 2.779 . 0 0 "[ . 1 . 2]" 1
919 1 59 TRP HB3 1 60 LEU H . . 3.170 2.557 2.417 2.743 . 0 0 "[ . 1 . 2]" 1
920 1 59 TRP HB3 1 63 GLY H . . 4.850 4.928 4.912 4.941 0.091 17 0 "[ . 1 . 2]" 1
921 1 59 TRP HD1 1 63 GLY HA2 . . 5.340 3.797 3.225 4.372 . 0 0 "[ . 1 . 2]" 1
922 1 59 TRP HD1 1 63 GLY QA . . 5.150 3.712 3.178 4.198 . 0 0 "[ . 1 . 2]" 1
923 1 59 TRP HD1 1 63 GLY HA3 . . 5.340 5.282 4.802 5.420 0.080 12 0 "[ . 1 . 2]" 1
924 1 59 TRP HD1 1 64 ALA H . . 5.500 3.101 2.275 4.035 . 0 0 "[ . 1 . 2]" 1
925 1 59 TRP HD1 1 64 ALA HA . . 4.070 3.822 2.025 4.150 0.080 7 0 "[ . 1 . 2]" 1
926 1 59 TRP HD1 1 64 ALA MB . . 4.670 2.608 2.027 3.937 . 0 0 "[ . 1 . 2]" 1
927 1 59 TRP HE1 1 63 GLY QA . . 6.380 3.869 3.375 4.348 . 0 0 "[ . 1 . 2]" 1
928 1 59 TRP HE1 1 64 ALA H . . 5.500 4.543 3.684 5.547 0.047 12 0 "[ . 1 . 2]" 1
929 1 59 TRP HE1 1 64 ALA MB . . 5.290 3.387 2.250 4.388 . 0 0 "[ . 1 . 2]" 1
930 1 59 TRP HE3 1 60 LEU HB2 . . 4.380 4.137 3.727 4.449 0.069 16 0 "[ . 1 . 2]" 1
931 1 59 TRP HE3 1 60 LEU HG . . 3.110 2.677 2.196 3.162 0.052 12 0 "[ . 1 . 2]" 1
932 1 59 TRP HZ3 1 60 LEU HA . . 4.600 3.892 3.507 4.528 . 0 0 "[ . 1 . 2]" 1
933 1 59 TRP HZ3 1 60 LEU QD . . 5.430 2.321 2.070 2.511 . 0 0 "[ . 1 . 2]" 1
934 1 60 LEU H 1 60 LEU HB2 . . 3.140 2.195 2.069 2.304 . 0 0 "[ . 1 . 2]" 1
935 1 60 LEU H 1 60 LEU MD1 . . 4.790 3.991 3.853 4.048 . 0 0 "[ . 1 . 2]" 1
936 1 60 LEU H 1 60 LEU MD2 . . 4.790 3.856 3.601 4.016 . 0 0 "[ . 1 . 2]" 1
937 1 60 LEU H 1 61 LEU H . . 2.800 2.808 2.510 2.867 0.067 12 0 "[ . 1 . 2]" 1
938 1 60 LEU HA 1 60 LEU HB3 . . 2.620 2.701 2.683 2.711 0.091 9 0 "[ . 1 . 2]" 1
939 1 60 LEU HA 1 60 LEU QD . . 4.010 1.982 1.933 2.021 . 0 0 "[ . 1 . 2]" 1
940 1 60 LEU HA 1 60 LEU HG . . 3.210 2.890 2.656 3.093 . 0 0 "[ . 1 . 2]" 1
941 1 60 LEU HB2 1 61 LEU H . . 3.140 2.952 2.749 3.095 . 0 0 "[ . 1 . 2]" 1
942 1 60 LEU HB3 1 61 LEU H . . 3.300 3.186 2.856 3.377 0.077 15 0 "[ . 1 . 2]" 1
943 1 60 LEU QD 1 61 LEU H . . 7.970 4.193 4.025 4.290 . 0 0 "[ . 1 . 2]" 1
944 1 61 LEU H 1 61 LEU HA . . 2.930 2.876 2.818 2.937 0.007 10 0 "[ . 1 . 2]" 1
945 1 61 LEU H 1 61 LEU QB . . 3.610 2.240 2.173 2.301 . 0 0 "[ . 1 . 2]" 1
946 1 61 LEU H 1 61 LEU MD1 . . 5.440 3.506 3.324 3.660 . 0 0 "[ . 1 . 2]" 1
947 1 61 LEU H 1 61 LEU QD . . 4.970 3.228 3.136 3.335 . 0 0 "[ . 1 . 2]" 1
948 1 61 LEU H 1 61 LEU MD2 . . 5.440 3.784 3.685 3.981 . 0 0 "[ . 1 . 2]" 1
949 1 61 LEU H 1 61 LEU HG . . 2.930 2.577 2.443 2.756 . 0 0 "[ . 1 . 2]" 1
950 1 61 LEU H 1 62 ASN H . . 2.740 2.715 2.553 2.813 0.073 2 0 "[ . 1 . 2]" 1
951 1 61 LEU H 1 63 GLY H . . 4.420 4.243 3.851 4.495 0.075 10 0 "[ . 1 . 2]" 1
952 1 61 LEU HA 1 61 LEU HG . . 2.870 2.833 2.574 2.936 0.066 17 0 "[ . 1 . 2]" 1
953 1 61 LEU HA 1 62 ASN H . . 3.580 3.567 3.527 3.623 0.043 19 0 "[ . 1 . 2]" 1
954 1 61 LEU QB 1 62 ASN HD21 . . 3.880 3.114 2.809 3.481 . 0 0 "[ . 1 . 2]" 1
955 1 61 LEU QB 1 62 ASN HD22 . . 4.940 2.944 2.652 3.678 . 0 0 "[ . 1 . 2]" 1
956 1 61 LEU HB2 1 62 ASN H . . 3.050 2.374 2.238 2.629 . 0 0 "[ . 1 . 2]" 1
957 1 61 LEU HB2 1 62 ASN HD21 . . 4.450 3.250 2.892 3.645 . 0 0 "[ . 1 . 2]" 1
958 1 61 LEU HB2 1 62 ASN HD22 . . 5.100 3.248 2.909 4.394 . 0 0 "[ . 1 . 2]" 1
959 1 61 LEU HB3 1 62 ASN H . . 3.050 3.123 3.104 3.135 0.085 14 0 "[ . 1 . 2]" 1
960 1 61 LEU HB3 1 62 ASN HD21 . . 4.450 4.021 3.747 4.415 . 0 0 "[ . 1 . 2]" 1
961 1 61 LEU HB3 1 62 ASN HD22 . . 5.100 3.396 2.965 3.946 . 0 0 "[ . 1 . 2]" 1
962 1 61 LEU QD 1 62 ASN H . . 8.100 3.956 3.842 4.076 . 0 0 "[ . 1 . 2]" 1
963 1 61 LEU QD 1 62 ASN HD22 . . 5.780 3.474 2.965 4.256 . 0 0 "[ . 1 . 2]" 1
964 1 61 LEU MD1 1 62 ASN HD22 . . 6.430 3.552 3.010 4.504 . 0 0 "[ . 1 . 2]" 1
965 1 61 LEU MD2 1 62 ASN HD22 . . 6.430 5.001 4.454 5.359 . 0 0 "[ . 1 . 2]" 1
966 1 62 ASN H 1 62 ASN HB2 . . 2.870 2.514 2.356 2.661 . 0 0 "[ . 1 . 2]" 1
967 1 62 ASN H 1 62 ASN HB3 . . 3.550 3.612 3.585 3.623 0.073 1 0 "[ . 1 . 2]" 1
968 1 62 ASN H 1 62 ASN HD21 . . 5.500 2.932 2.381 3.408 . 0 0 "[ . 1 . 2]" 1
969 1 62 ASN H 1 63 GLY H . . 2.620 2.499 2.317 2.698 0.078 19 0 "[ . 1 . 2]" 1
970 1 62 ASN HB2 1 62 ASN HD21 . . 3.050 2.276 2.203 2.381 . 0 0 "[ . 1 . 2]" 1
971 1 62 ASN HB2 1 63 GLY H . . 4.230 2.797 2.112 3.408 . 0 0 "[ . 1 . 2]" 1
972 1 62 ASN HB2 1 64 ALA H . . 3.950 3.728 2.927 4.030 0.080 11 0 "[ . 1 . 2]" 1
973 1 62 ASN HB3 1 63 GLY H . . 5.310 3.822 3.322 4.273 . 0 0 "[ . 1 . 2]" 1
974 1 63 GLY H 1 63 GLY HA2 . . 2.870 2.300 2.221 2.479 . 0 0 "[ . 1 . 2]" 1
975 1 63 GLY H 1 63 GLY QA . . 2.580 2.213 2.114 2.359 . 0 0 "[ . 1 . 2]" 1
976 1 63 GLY H 1 63 GLY HA3 . . 2.870 2.883 2.654 2.956 0.086 19 0 "[ . 1 . 2]" 1
977 1 63 GLY H 1 64 ALA H . . 3.360 2.746 2.434 3.167 . 0 0 "[ . 1 . 2]" 1
978 1 63 GLY QA 1 64 ALA H . . 3.140 2.556 2.276 2.963 . 0 0 "[ . 1 . 2]" 1
979 1 63 GLY HA2 1 64 ALA H . . 3.520 2.654 2.305 3.325 . 0 0 "[ . 1 . 2]" 1
980 1 63 GLY HA3 1 64 ALA H . . 3.520 3.521 3.327 3.583 0.063 15 0 "[ . 1 . 2]" 1
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