NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414569 |
2ctm   |
11137 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ctm
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 1925
_Distance_constraint_stats_list.Viol_count 174
_Distance_constraint_stats_list.Viol_total 38.502
_Distance_constraint_stats_list.Viol_max 0.066
_Distance_constraint_stats_list.Viol_rms 0.0014
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0111
_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 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ARG 0.101 0.016 8 0 "[ . 1 . 2]"
1 9 ILE 0.022 0.004 5 0 "[ . 1 . 2]"
1 10 VAL 0.001 0.001 5 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.013 0.010 6 0 "[ . 1 . 2]"
1 13 LEU 0.060 0.022 14 0 "[ . 1 . 2]"
1 14 GLU 0.057 0.022 14 0 "[ . 1 . 2]"
1 15 GLN 0.003 0.001 5 0 "[ . 1 . 2]"
1 16 MET 0.010 0.004 14 0 "[ . 1 . 2]"
1 17 VAL 0.002 0.001 6 0 "[ . 1 . 2]"
1 18 SER 0.002 0.001 6 0 "[ . 1 . 2]"
1 19 GLU 0.004 0.002 14 0 "[ . 1 . 2]"
1 20 ASP 0.005 0.002 14 0 "[ . 1 . 2]"
1 21 VAL 0.250 0.031 4 0 "[ . 1 . 2]"
1 22 PRO 0.237 0.031 4 0 "[ . 1 . 2]"
1 23 LEU 0.008 0.002 5 0 "[ . 1 . 2]"
1 24 ASP 0.001 0.001 14 0 "[ . 1 . 2]"
1 25 HIS 0.008 0.006 14 0 "[ . 1 . 2]"
1 26 ARG 0.008 0.004 1 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 HIS 0.002 0.002 20 0 "[ . 1 . 2]"
1 29 ALA 0.003 0.003 20 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ILE 0.002 0.002 20 0 "[ . 1 . 2]"
1 32 ILE 0.021 0.007 20 0 "[ . 1 . 2]"
1 33 GLY 0.008 0.004 20 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLY 0.007 0.007 20 0 "[ . 1 . 2]"
1 37 LYS 0.042 0.021 10 0 "[ . 1 . 2]"
1 38 ALA 0.003 0.003 20 0 "[ . 1 . 2]"
1 39 ILE 0.005 0.003 20 0 "[ . 1 . 2]"
1 40 ARG 0.000 0.000 1 0 "[ . 1 . 2]"
1 41 LYS 0.018 0.011 7 0 "[ . 1 . 2]"
1 42 ILE 0.003 0.002 17 0 "[ . 1 . 2]"
1 43 MET 0.000 0.000 1 0 "[ . 1 . 2]"
1 44 ASP 0.036 0.015 17 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 PHE 0.100 0.037 17 0 "[ . 1 . 2]"
1 47 LYS 0.045 0.015 17 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ILE 0.003 0.003 7 0 "[ . 1 . 2]"
1 51 ARG 0.001 0.001 5 0 "[ . 1 . 2]"
1 52 PHE 0.003 0.002 20 0 "[ . 1 . 2]"
1 53 PRO 0.007 0.004 20 0 "[ . 1 . 2]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.008 0.003 18 0 "[ . 1 . 2]"
1 58 PRO 0.003 0.003 14 0 "[ . 1 . 2]"
1 59 ASP 1.092 0.066 7 0 "[ . 1 . 2]"
1 60 PRO 1.091 0.066 7 0 "[ . 1 . 2]"
1 61 ASN 0.046 0.013 14 0 "[ . 1 . 2]"
1 62 CYS 0.021 0.005 16 0 "[ . 1 . 2]"
1 63 VAL 0.004 0.003 7 0 "[ . 1 . 2]"
1 64 THR 0.001 0.001 4 0 "[ . 1 . 2]"
1 65 VAL 0.000 0.000 20 0 "[ . 1 . 2]"
1 66 THR 0.000 0.000 20 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LEU 0.006 0.003 8 0 "[ . 1 . 2]"
1 69 PRO 0.002 0.001 15 0 "[ . 1 . 2]"
1 70 GLU 0.001 0.001 17 0 "[ . 1 . 2]"
1 71 ASN 0.002 0.001 14 0 "[ . 1 . 2]"
1 72 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.001 0.001 14 0 "[ . 1 . 2]"
1 74 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.002 0.001 20 0 "[ . 1 . 2]"
1 76 ILE 0.011 0.003 9 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.001 0.001 15 0 "[ . 1 . 2]"
1 79 ILE 0.000 0.000 7 0 "[ . 1 . 2]"
1 80 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.002 0.002 18 0 "[ . 1 . 2]"
1 83 GLU 0.001 0.001 2 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLU 0.061 0.059 18 0 "[ . 1 . 2]"
1 86 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ASP 0.000 0.000 2 0 "[ . 1 . 2]"
1 90 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 GLY 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 7 GLY H 1 8 ARG H . . 5.130 3.903 2.798 4.492 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 ARG H . . 3.230 2.228 2.115 2.552 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 ARG HA . . 4.580 4.022 3.932 4.231 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 8 ARG QB . . 4.690 4.041 3.943 4.367 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG H 1 8 ARG QB . . 3.250 2.202 2.156 2.377 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG H 1 8 ARG QD . . 4.890 4.139 1.889 4.669 . 0 0 "[ . 1 . 2]" 1
7 1 8 ARG H 1 8 ARG HG2 . . 4.120 3.228 2.726 4.067 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG H 1 8 ARG QG . . 3.240 3.036 2.665 3.236 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG H 1 8 ARG HG3 . . 4.120 3.885 3.279 4.117 . 0 0 "[ . 1 . 2]" 1
10 1 8 ARG H 1 9 ILE H . . 4.750 4.578 4.501 4.627 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG H 1 9 ILE QG . . 5.340 5.137 4.950 5.267 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG HA 1 8 ARG QD . . 3.310 2.468 2.060 3.172 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG HA 1 8 ARG HG2 . . 3.630 2.626 2.418 3.482 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG HA 1 8 ARG QG . . 3.090 2.454 2.175 2.588 . 0 0 "[ . 1 . 2]" 1
15 1 8 ARG HA 1 8 ARG HG3 . . 3.630 3.491 2.197 3.646 0.016 8 0 "[ . 1 . 2]" 1
16 1 8 ARG HA 1 9 ILE H . . 2.790 2.432 2.220 2.620 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG HA 1 9 ILE MG . . 4.330 3.980 3.794 4.166 . 0 0 "[ . 1 . 2]" 1
18 1 8 ARG QB 1 8 ARG QD . . 2.940 2.243 2.056 2.596 . 0 0 "[ . 1 . 2]" 1
19 1 8 ARG QB 1 9 ILE H . . 3.460 2.416 1.995 2.943 . 0 0 "[ . 1 . 2]" 1
20 1 8 ARG QB 1 9 ILE HA . . 4.840 3.828 3.753 3.963 . 0 0 "[ . 1 . 2]" 1
21 1 8 ARG QD 1 9 ILE H . . 5.000 2.847 2.470 4.991 . 0 0 "[ . 1 . 2]" 1
22 1 8 ARG QG 1 9 ILE H . . 3.990 3.877 3.591 3.991 0.001 17 0 "[ . 1 . 2]" 1
23 1 8 ARG HG2 1 9 ILE H . . 4.600 4.311 4.156 4.582 . 0 0 "[ . 1 . 2]" 1
24 1 8 ARG HG3 1 9 ILE H . . 4.600 4.438 3.762 4.601 0.001 11 0 "[ . 1 . 2]" 1
25 1 9 ILE H 1 9 ILE HB . . 3.910 3.863 3.777 3.914 0.004 5 0 "[ . 1 . 2]" 1
26 1 9 ILE H 1 9 ILE MD . . 4.480 3.087 2.263 4.180 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE H 1 9 ILE HG12 . . 4.070 3.633 2.593 4.049 . 0 0 "[ . 1 . 2]" 1
28 1 9 ILE H 1 9 ILE QG . . 3.210 2.385 2.158 2.512 . 0 0 "[ . 1 . 2]" 1
29 1 9 ILE H 1 9 ILE HG13 . . 4.070 2.465 2.170 2.743 . 0 0 "[ . 1 . 2]" 1
30 1 9 ILE H 1 9 ILE MG . . 3.780 3.511 3.412 3.678 . 0 0 "[ . 1 . 2]" 1
31 1 9 ILE H 1 10 VAL H . . 4.470 4.377 4.360 4.391 . 0 0 "[ . 1 . 2]" 1
32 1 9 ILE H 1 10 VAL HA . . 5.500 4.705 4.629 4.895 . 0 0 "[ . 1 . 2]" 1
33 1 9 ILE HA 1 9 ILE MD . . 4.160 3.781 3.543 4.163 0.003 12 0 "[ . 1 . 2]" 1
34 1 9 ILE HA 1 9 ILE QG . . 3.700 3.332 3.228 3.404 . 0 0 "[ . 1 . 2]" 1
35 1 9 ILE HA 1 9 ILE MG . . 3.200 2.088 1.992 2.231 . 0 0 "[ . 1 . 2]" 1
36 1 9 ILE HA 1 10 VAL H . . 2.730 2.532 2.380 2.633 . 0 0 "[ . 1 . 2]" 1
37 1 9 ILE HA 1 10 VAL HB . . 5.070 4.854 4.709 5.013 . 0 0 "[ . 1 . 2]" 1
38 1 9 ILE HA 1 10 VAL QG . . 4.150 3.381 3.081 3.646 . 0 0 "[ . 1 . 2]" 1
39 1 9 ILE HA 1 11 GLY H . . 5.200 4.489 4.177 4.708 . 0 0 "[ . 1 . 2]" 1
40 1 9 ILE HB 1 9 ILE MD . . 3.290 2.239 2.114 2.356 . 0 0 "[ . 1 . 2]" 1
41 1 9 ILE HB 1 10 VAL H . . 3.280 2.113 1.901 2.438 . 0 0 "[ . 1 . 2]" 1
42 1 9 ILE HB 1 10 VAL HA . . 4.930 4.375 4.195 4.513 . 0 0 "[ . 1 . 2]" 1
43 1 9 ILE HB 1 11 GLY H . . 4.520 2.767 2.337 3.181 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HB 1 11 GLY QA . . 5.340 3.863 3.742 4.037 . 0 0 "[ . 1 . 2]" 1
45 1 9 ILE MD 1 10 VAL H . . 4.000 3.396 2.861 3.991 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE MD 1 11 GLY H . . 4.650 3.204 2.377 4.120 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE MD 1 11 GLY HA2 . . 4.670 3.362 2.460 4.188 . 0 0 "[ . 1 . 2]" 1
48 1 9 ILE MD 1 11 GLY QA . . 3.880 3.089 2.373 3.794 . 0 0 "[ . 1 . 2]" 1
49 1 9 ILE MD 1 11 GLY HA3 . . 4.670 3.695 3.115 4.630 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE QG 1 9 ILE MG . . 3.000 2.122 2.043 2.320 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE QG 1 11 GLY H . . 5.130 4.399 3.774 5.087 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE HG12 1 9 ILE MG . . 3.630 2.261 2.154 2.382 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE HG12 1 10 VAL H . . 4.870 4.644 4.381 4.861 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE HG13 1 9 ILE MG . . 3.630 2.678 2.350 3.196 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE HG13 1 10 VAL H . . 4.870 4.398 3.818 4.780 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE MG 1 10 VAL H . . 3.740 3.262 3.053 3.443 . 0 0 "[ . 1 . 2]" 1
57 1 10 VAL H 1 10 VAL HB . . 3.060 2.573 2.479 2.750 . 0 0 "[ . 1 . 2]" 1
58 1 10 VAL H 1 10 VAL QG . . 2.960 2.505 2.297 2.669 . 0 0 "[ . 1 . 2]" 1
59 1 10 VAL HA 1 10 VAL QG . . 3.010 2.117 2.059 2.178 . 0 0 "[ . 1 . 2]" 1
60 1 10 VAL HA 1 47 LYS HB2 . . 4.080 3.816 3.319 4.060 . 0 0 "[ . 1 . 2]" 1
61 1 10 VAL HA 1 47 LYS HB3 . . 4.080 3.687 2.801 4.030 . 0 0 "[ . 1 . 2]" 1
62 1 10 VAL HA 1 47 LYS QG . . 4.350 3.559 2.986 4.193 . 0 0 "[ . 1 . 2]" 1
63 1 10 VAL HA 1 68 LEU MD2 . . 4.520 4.115 3.797 4.521 0.001 5 0 "[ . 1 . 2]" 1
64 1 10 VAL HA 1 71 ASN QD . . 4.520 4.063 3.542 4.471 . 0 0 "[ . 1 . 2]" 1
65 1 10 VAL HB 1 11 GLY H . . 3.650 2.670 2.380 3.122 . 0 0 "[ . 1 . 2]" 1
66 1 10 VAL HB 1 11 GLY HA2 . . 5.490 4.781 4.577 5.088 . 0 0 "[ . 1 . 2]" 1
67 1 10 VAL HB 1 11 GLY QA . . 4.660 4.247 4.112 4.447 . 0 0 "[ . 1 . 2]" 1
68 1 10 VAL HB 1 11 GLY HA3 . . 5.490 4.760 4.607 4.964 . 0 0 "[ . 1 . 2]" 1
69 1 10 VAL QG 1 11 GLY H . . 3.760 3.266 3.137 3.501 . 0 0 "[ . 1 . 2]" 1
70 1 10 VAL QG 1 16 MET ME . . 2.890 2.465 2.135 2.881 . 0 0 "[ . 1 . 2]" 1
71 1 10 VAL QG 1 47 LYS HB2 . . 4.510 3.660 2.787 4.220 . 0 0 "[ . 1 . 2]" 1
72 1 10 VAL QG 1 47 LYS QB . . 3.900 2.730 1.949 3.118 . 0 0 "[ . 1 . 2]" 1
73 1 10 VAL QG 1 47 LYS HB3 . . 4.510 2.822 1.989 3.285 . 0 0 "[ . 1 . 2]" 1
74 1 10 VAL QG 1 47 LYS QD . . 4.250 3.154 2.112 4.058 . 0 0 "[ . 1 . 2]" 1
75 1 10 VAL QG 1 47 LYS HE2 . . 4.630 3.391 1.774 4.587 . 0 0 "[ . 1 . 2]" 1
76 1 10 VAL QG 1 47 LYS QE . . 4.050 2.882 1.751 3.833 . 0 0 "[ . 1 . 2]" 1
77 1 10 VAL QG 1 47 LYS HE3 . . 4.630 3.458 2.695 4.507 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLY H 1 68 LEU MD2 . . 5.500 4.301 4.114 4.463 . 0 0 "[ . 1 . 2]" 1
79 1 11 GLY QA 1 68 LEU MD2 . . 3.190 2.024 1.967 2.114 . 0 0 "[ . 1 . 2]" 1
80 1 11 GLY QA 1 68 LEU HG . . 4.430 3.393 2.898 3.839 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLY HA2 1 12 GLU H . . 3.290 2.651 2.461 2.822 . 0 0 "[ . 1 . 2]" 1
82 1 11 GLY HA2 1 16 MET ME . . 5.500 5.238 4.633 5.481 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLY HA2 1 68 LEU MD2 . . 3.700 3.602 3.443 3.697 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLY HA3 1 12 GLU H . . 3.290 2.482 2.334 2.672 . 0 0 "[ . 1 . 2]" 1
85 1 11 GLY HA3 1 16 MET ME . . 5.500 4.078 3.574 4.371 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLY HA3 1 68 LEU MD2 . . 3.700 2.035 1.977 2.132 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLU H 1 12 GLU HB2 . . 3.290 2.328 2.218 2.406 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLU H 1 12 GLU HB3 . . 3.620 3.567 3.492 3.630 0.010 6 0 "[ . 1 . 2]" 1
89 1 12 GLU H 1 12 GLU HG2 . . 4.210 3.492 2.843 4.189 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLU H 1 12 GLU QG . . 3.340 3.076 2.783 3.269 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLU H 1 12 GLU HG3 . . 4.210 3.789 2.831 4.189 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLU H 1 13 LEU H . . 4.830 4.543 4.483 4.587 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLU H 1 15 GLN HB2 . . 4.030 2.463 2.111 2.802 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLU H 1 15 GLN HB3 . . 3.710 3.520 3.225 3.699 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLU H 1 15 GLN QG . . 4.700 3.116 2.589 3.952 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLU H 1 68 LEU MD1 . . 4.090 3.376 2.658 3.895 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLU H 1 68 LEU MD2 . . 4.350 3.394 2.828 3.793 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLU HA 1 12 GLU HG2 . . 3.710 2.584 2.233 3.213 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLU HA 1 12 GLU QG . . 3.160 2.495 2.181 3.006 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLU HA 1 12 GLU HG3 . . 3.710 3.396 2.681 3.697 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLU HA 1 13 LEU H . . 2.860 2.260 2.192 2.332 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLU HA 1 13 LEU HB2 . . 4.980 4.513 4.299 4.760 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLU HA 1 14 GLU H . . 4.880 4.657 4.383 4.872 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLU HB2 1 13 LEU H . . 4.230 4.087 3.876 4.224 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLU HB2 1 14 GLU H . . 5.030 4.603 4.045 5.028 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLU HB2 1 15 GLN H . . 4.350 3.042 2.639 3.443 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLU HB2 1 15 GLN HG2 . . 4.130 2.816 2.293 3.554 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLU HB2 1 15 GLN QG . . 3.460 2.053 1.917 2.212 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLU HB2 1 15 GLN HG3 . . 4.130 2.133 2.000 2.326 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLU HB3 1 13 LEU H . . 3.580 2.869 2.615 3.099 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLU HB3 1 14 GLU H . . 4.260 3.236 2.819 3.517 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLU HB3 1 15 GLN HG2 . . 3.990 3.662 3.171 3.991 0.001 5 0 "[ . 1 . 2]" 1
113 1 12 GLU HB3 1 15 GLN QG . . 3.410 3.066 2.259 3.402 . 0 0 "[ . 1 . 2]" 1
114 1 12 GLU HB3 1 15 GLN HG3 . . 3.990 3.472 2.272 3.940 . 0 0 "[ . 1 . 2]" 1
115 1 12 GLU QG 1 13 LEU H . . 5.100 3.972 3.379 4.434 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU H 1 13 LEU HB2 . . 2.990 2.281 2.137 2.457 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU H 1 13 LEU HB3 . . 3.620 3.487 2.959 3.596 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU H 1 13 LEU MD1 . . 4.470 3.086 1.911 3.965 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU H 1 13 LEU QD . . 3.870 2.745 1.903 3.685 . 0 0 "[ . 1 . 2]" 1
120 1 13 LEU H 1 13 LEU MD2 . . 4.470 3.756 1.909 4.391 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU H 1 13 LEU HG . . 4.160 3.202 2.339 4.122 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU H 1 14 GLU H . . 3.570 2.974 2.755 3.175 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU H 1 14 GLU QG . . 5.500 4.953 4.499 5.342 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU H 1 15 GLN H . . 4.840 4.044 3.693 4.312 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU H 1 16 MET ME . . 4.210 3.944 3.584 4.172 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU HA 1 13 LEU MD1 . . 3.900 3.359 2.033 3.898 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HA 1 13 LEU QD . . 3.100 2.492 1.957 2.936 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU HA 1 13 LEU MD2 . . 3.900 2.831 2.110 3.708 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU HA 1 13 LEU HG . . 3.850 2.656 2.270 3.692 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HA 1 15 GLN H . . 4.600 4.281 3.767 4.599 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU HA 1 16 MET H . . 4.090 3.524 3.313 3.699 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU HA 1 16 MET HB2 . . 3.830 3.540 3.202 3.821 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HA 1 16 MET ME . . 3.460 2.626 2.077 3.070 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU HA 1 16 MET HG2 . . 4.310 3.876 3.575 4.305 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU HA 1 16 MET HG3 . . 3.860 2.247 2.022 2.744 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU HB2 1 13 LEU MD1 . . 3.640 2.251 2.019 3.183 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU HB2 1 13 LEU QD . . 3.130 2.106 1.976 2.248 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU HB2 1 13 LEU MD2 . . 3.640 2.880 2.279 3.179 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU HB2 1 14 GLU H . . 3.810 2.469 2.162 3.223 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU HB2 1 14 GLU HB2 . . 5.460 4.739 4.396 5.482 0.022 14 0 "[ . 1 . 2]" 1
141 1 13 LEU HB2 1 14 GLU QG . . 4.800 3.785 3.267 4.812 0.012 14 0 "[ . 1 . 2]" 1
142 1 13 LEU HB2 1 16 MET ME . . 5.500 4.802 4.084 5.275 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU HB3 1 13 LEU MD1 . . 3.440 2.716 2.245 3.167 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU HB3 1 13 LEU MD2 . . 3.440 2.263 2.041 3.190 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU HB3 1 14 GLU H . . 3.920 2.879 1.901 3.320 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU HB3 1 14 GLU HB2 . . 5.500 5.137 4.189 5.429 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU HB3 1 14 GLU QG . . 4.640 3.853 3.276 4.265 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU HB3 1 16 MET HB2 . . 5.500 4.958 4.595 5.504 0.004 14 0 "[ . 1 . 2]" 1
149 1 13 LEU HB3 1 16 MET ME . . 5.500 4.734 4.262 5.151 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU QD 1 14 GLU H . . 4.420 3.701 3.087 3.971 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU QD 1 14 GLU QG . . 4.600 4.251 3.338 4.565 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU QD 1 16 MET ME . . 3.890 2.903 1.810 3.885 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU HG 1 16 MET ME . . 4.350 3.493 2.932 4.340 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLU H 1 14 GLU HB2 . . 3.280 2.395 2.233 2.598 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLU H 1 14 GLU HB3 . . 3.720 3.571 3.522 3.593 . 0 0 "[ . 1 . 2]" 1
156 1 14 GLU H 1 14 GLU QG . . 3.570 2.425 1.980 2.830 . 0 0 "[ . 1 . 2]" 1
157 1 14 GLU H 1 15 GLN H . . 3.620 2.774 2.583 2.964 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLU HA 1 14 GLU QG . . 3.260 2.423 2.260 2.751 . 0 0 "[ . 1 . 2]" 1
159 1 14 GLU HA 1 16 MET H . . 4.550 4.178 3.725 4.448 . 0 0 "[ . 1 . 2]" 1
160 1 14 GLU HB2 1 15 GLN H . . 3.230 2.809 2.478 3.231 0.001 5 0 "[ . 1 . 2]" 1
161 1 14 GLU HB2 1 15 GLN HA . . 5.070 4.473 4.157 4.675 . 0 0 "[ . 1 . 2]" 1
162 1 14 GLU HB3 1 15 GLN H . . 4.010 3.594 3.299 3.987 . 0 0 "[ . 1 . 2]" 1
163 1 14 GLU QG 1 15 GLN H . . 4.430 4.263 4.008 4.420 . 0 0 "[ . 1 . 2]" 1
164 1 15 GLN H 1 15 GLN HB2 . . 3.080 2.296 2.206 2.397 . 0 0 "[ . 1 . 2]" 1
165 1 15 GLN H 1 15 GLN HB3 . . 3.790 3.548 3.507 3.577 . 0 0 "[ . 1 . 2]" 1
166 1 15 GLN H 1 15 GLN HG2 . . 4.000 2.834 2.394 3.706 . 0 0 "[ . 1 . 2]" 1
167 1 15 GLN H 1 15 GLN QG . . 3.220 2.613 2.354 2.899 . 0 0 "[ . 1 . 2]" 1
168 1 15 GLN H 1 15 GLN HG3 . . 4.000 3.455 2.831 3.788 . 0 0 "[ . 1 . 2]" 1
169 1 15 GLN H 1 16 MET H . . 3.110 2.649 2.311 2.850 . 0 0 "[ . 1 . 2]" 1
170 1 15 GLN H 1 16 MET HG3 . . 4.520 4.108 3.686 4.350 . 0 0 "[ . 1 . 2]" 1
171 1 15 GLN H 1 68 LEU MD1 . . 4.920 4.627 4.264 4.887 . 0 0 "[ . 1 . 2]" 1
172 1 15 GLN HA 1 15 GLN QE . . 4.970 3.599 1.894 4.312 . 0 0 "[ . 1 . 2]" 1
173 1 15 GLN HA 1 15 GLN HG2 . . 3.730 2.522 2.197 2.776 . 0 0 "[ . 1 . 2]" 1
174 1 15 GLN HA 1 15 GLN QG . . 3.160 2.473 2.157 2.702 . 0 0 "[ . 1 . 2]" 1
175 1 15 GLN HA 1 15 GLN HG3 . . 3.730 3.576 3.147 3.730 0.000 20 0 "[ . 1 . 2]" 1
176 1 15 GLN HA 1 16 MET H . . 3.550 3.508 3.397 3.546 . 0 0 "[ . 1 . 2]" 1
177 1 15 GLN HA 1 68 LEU MD1 . . 4.300 4.027 3.916 4.194 . 0 0 "[ . 1 . 2]" 1
178 1 15 GLN HB2 1 15 GLN QE . . 4.410 3.581 2.185 4.040 . 0 0 "[ . 1 . 2]" 1
179 1 15 GLN HB2 1 15 GLN HE22 . . 5.080 4.825 3.826 5.061 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLN HB2 1 16 MET H . . 3.560 2.853 2.625 3.306 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLN HB2 1 16 MET HG3 . . 5.200 4.050 3.750 4.277 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLN HB2 1 68 LEU MD1 . . 3.300 2.967 2.740 3.178 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLN HB3 1 15 GLN QE . . 4.210 2.677 2.108 3.188 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLN HB3 1 15 GLN HE22 . . 4.850 3.676 3.413 3.943 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLN HB3 1 16 MET H . . 4.670 3.542 3.248 3.834 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLN HB3 1 16 MET HA . . 4.350 4.227 4.057 4.351 0.001 17 0 "[ . 1 . 2]" 1
187 1 15 GLN HB3 1 68 LEU MD1 . . 3.460 2.186 1.996 2.428 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLN HE21 1 68 LEU MD1 . . 4.750 3.494 2.610 4.599 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLN HE22 1 68 LEU MD1 . . 4.750 4.163 3.549 4.664 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLN QG 1 16 MET H . . 4.540 4.300 4.134 4.516 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLN QG 1 68 LEU MD1 . . 3.970 3.726 3.437 3.969 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLN HG2 1 68 LEU MD1 . . 4.850 4.555 4.336 4.850 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLN HG3 1 68 LEU MD1 . . 4.850 3.985 3.581 4.570 . 0 0 "[ . 1 . 2]" 1
194 1 16 MET H 1 16 MET HB2 . . 3.720 2.607 2.460 2.752 . 0 0 "[ . 1 . 2]" 1
195 1 16 MET H 1 16 MET HB3 . . 3.700 3.590 3.576 3.603 . 0 0 "[ . 1 . 2]" 1
196 1 16 MET H 1 16 MET HG2 . . 3.630 2.975 2.601 3.287 . 0 0 "[ . 1 . 2]" 1
197 1 16 MET H 1 16 MET HG3 . . 3.500 2.145 1.987 2.315 . 0 0 "[ . 1 . 2]" 1
198 1 16 MET H 1 17 VAL H . . 4.760 4.643 4.632 4.649 . 0 0 "[ . 1 . 2]" 1
199 1 16 MET H 1 68 LEU MD1 . . 4.530 3.493 3.008 3.816 . 0 0 "[ . 1 . 2]" 1
200 1 16 MET H 1 68 LEU MD2 . . 5.200 3.881 3.530 4.492 . 0 0 "[ . 1 . 2]" 1
201 1 16 MET HA 1 16 MET HG2 . . 3.670 2.487 2.410 2.596 . 0 0 "[ . 1 . 2]" 1
202 1 16 MET HA 1 16 MET HG3 . . 3.990 3.304 3.046 3.466 . 0 0 "[ . 1 . 2]" 1
203 1 16 MET HA 1 17 VAL H . . 2.900 2.318 2.255 2.385 . 0 0 "[ . 1 . 2]" 1
204 1 16 MET HA 1 17 VAL MG1 . . 3.920 3.580 3.297 3.738 . 0 0 "[ . 1 . 2]" 1
205 1 16 MET HA 1 17 VAL MG2 . . 4.080 3.715 3.555 3.909 . 0 0 "[ . 1 . 2]" 1
206 1 16 MET HA 1 67 GLY H . . 4.810 3.905 3.709 4.069 . 0 0 "[ . 1 . 2]" 1
207 1 16 MET HA 1 68 LEU HA . . 3.890 2.486 2.376 2.596 . 0 0 "[ . 1 . 2]" 1
208 1 16 MET HA 1 68 LEU MD1 . . 3.680 2.550 1.989 3.014 . 0 0 "[ . 1 . 2]" 1
209 1 16 MET HA 1 68 LEU MD2 . . 4.520 2.792 2.395 3.659 . 0 0 "[ . 1 . 2]" 1
210 1 16 MET HA 1 69 PRO HD2 . . 4.800 4.595 4.458 4.705 . 0 0 "[ . 1 . 2]" 1
211 1 16 MET HA 1 69 PRO HD3 . . 4.070 3.907 3.699 4.070 0.000 14 0 "[ . 1 . 2]" 1
212 1 16 MET HB2 1 17 VAL H . . 3.970 3.739 3.527 3.901 . 0 0 "[ . 1 . 2]" 1
213 1 16 MET HB2 1 66 THR MG . . 3.810 3.082 2.775 3.425 . 0 0 "[ . 1 . 2]" 1
214 1 16 MET HB2 1 67 GLY H . . 4.250 3.809 3.504 4.074 . 0 0 "[ . 1 . 2]" 1
215 1 16 MET HB2 1 68 LEU MD1 . . 5.410 4.891 4.208 5.218 . 0 0 "[ . 1 . 2]" 1
216 1 16 MET HB2 1 68 LEU MD2 . . 5.500 4.561 4.313 5.128 . 0 0 "[ . 1 . 2]" 1
217 1 16 MET HB3 1 16 MET ME . . 4.660 3.982 3.820 4.108 . 0 0 "[ . 1 . 2]" 1
218 1 16 MET HB3 1 17 VAL H . . 3.520 2.659 2.472 2.836 . 0 0 "[ . 1 . 2]" 1
219 1 16 MET HB3 1 17 VAL HA . . 5.500 4.504 4.368 4.590 . 0 0 "[ . 1 . 2]" 1
220 1 16 MET HB3 1 66 THR MG . . 3.720 2.425 2.226 2.682 . 0 0 "[ . 1 . 2]" 1
221 1 16 MET HB3 1 67 GLY H . . 4.160 2.281 2.014 2.512 . 0 0 "[ . 1 . 2]" 1
222 1 16 MET HB3 1 68 LEU HA . . 5.500 4.484 4.269 4.689 . 0 0 "[ . 1 . 2]" 1
223 1 16 MET ME 1 16 MET HG2 . . 3.310 2.479 2.202 2.679 . 0 0 "[ . 1 . 2]" 1
224 1 16 MET ME 1 16 MET HG3 . . 3.320 2.500 2.258 2.761 . 0 0 "[ . 1 . 2]" 1
225 1 16 MET ME 1 67 GLY QA . . 4.500 3.401 3.078 3.700 . 0 0 "[ . 1 . 2]" 1
226 1 16 MET ME 1 68 LEU H . . 4.400 4.103 3.639 4.397 . 0 0 "[ . 1 . 2]" 1
227 1 16 MET ME 1 68 LEU MD2 . . 4.050 2.951 2.509 3.274 . 0 0 "[ . 1 . 2]" 1
228 1 16 MET HG2 1 17 VAL H . . 4.680 4.235 4.006 4.385 . 0 0 "[ . 1 . 2]" 1
229 1 16 MET HG2 1 66 THR MG . . 4.510 4.381 3.990 4.509 . 0 0 "[ . 1 . 2]" 1
230 1 16 MET HG2 1 67 GLY QA . . 3.930 2.675 2.008 2.987 . 0 0 "[ . 1 . 2]" 1
231 1 16 MET HG2 1 68 LEU H . . 4.680 3.094 2.651 3.427 . 0 0 "[ . 1 . 2]" 1
232 1 16 MET HG2 1 68 LEU HA . . 4.900 4.093 3.900 4.262 . 0 0 "[ . 1 . 2]" 1
233 1 16 MET HG2 1 68 LEU MD1 . . 3.550 3.314 2.346 3.551 0.001 12 0 "[ . 1 . 2]" 1
234 1 16 MET HG2 1 68 LEU MD2 . . 4.140 2.096 1.947 2.455 . 0 0 "[ . 1 . 2]" 1
235 1 16 MET HG3 1 17 VAL H . . 5.130 5.053 4.914 5.122 . 0 0 "[ . 1 . 2]" 1
236 1 16 MET HG3 1 66 THR MG . . 4.780 4.497 4.265 4.726 . 0 0 "[ . 1 . 2]" 1
237 1 16 MET HG3 1 68 LEU MD1 . . 4.380 4.112 3.335 4.383 0.003 8 0 "[ . 1 . 2]" 1
238 1 16 MET HG3 1 68 LEU MD2 . . 4.850 3.418 3.169 3.757 . 0 0 "[ . 1 . 2]" 1
239 1 17 VAL H 1 17 VAL HB . . 4.070 3.845 3.777 3.907 . 0 0 "[ . 1 . 2]" 1
240 1 17 VAL H 1 17 VAL MG1 . . 3.670 3.016 2.824 3.164 . 0 0 "[ . 1 . 2]" 1
241 1 17 VAL H 1 17 VAL MG2 . . 3.150 2.248 2.093 2.345 . 0 0 "[ . 1 . 2]" 1
242 1 17 VAL H 1 18 SER H . . 4.440 4.374 4.277 4.441 0.001 6 0 "[ . 1 . 2]" 1
243 1 17 VAL H 1 18 SER HA . . 5.390 4.788 4.705 4.867 . 0 0 "[ . 1 . 2]" 1
244 1 17 VAL H 1 66 THR HA . . 4.780 4.358 4.179 4.648 . 0 0 "[ . 1 . 2]" 1
245 1 17 VAL H 1 66 THR MG . . 4.210 3.735 3.554 4.046 . 0 0 "[ . 1 . 2]" 1
246 1 17 VAL H 1 67 GLY H . . 3.430 2.605 2.419 2.859 . 0 0 "[ . 1 . 2]" 1
247 1 17 VAL H 1 68 LEU HA . . 4.160 3.218 2.975 3.419 . 0 0 "[ . 1 . 2]" 1
248 1 17 VAL H 1 68 LEU MD1 . . 4.770 4.223 3.701 4.448 . 0 0 "[ . 1 . 2]" 1
249 1 17 VAL H 1 69 PRO HD3 . . 4.350 3.951 3.788 4.087 . 0 0 "[ . 1 . 2]" 1
250 1 17 VAL H 1 72 VAL MG2 . . 4.150 3.594 3.416 3.859 . 0 0 "[ . 1 . 2]" 1
251 1 17 VAL HA 1 17 VAL MG1 . . 3.110 2.270 2.183 2.409 . 0 0 "[ . 1 . 2]" 1
252 1 17 VAL HA 1 18 SER H . . 2.900 2.205 2.162 2.291 . 0 0 "[ . 1 . 2]" 1
253 1 17 VAL HA 1 67 GLY H . . 4.770 4.478 4.321 4.710 . 0 0 "[ . 1 . 2]" 1
254 1 17 VAL HB 1 18 SER H . . 3.220 2.967 2.682 3.167 . 0 0 "[ . 1 . 2]" 1
255 1 17 VAL HB 1 72 VAL MG2 . . 5.180 4.899 4.558 5.105 . 0 0 "[ . 1 . 2]" 1
256 1 17 VAL MG1 1 18 SER H . . 4.060 3.874 3.742 4.030 . 0 0 "[ . 1 . 2]" 1
257 1 17 VAL MG1 1 69 PRO HD2 . . 3.940 3.847 3.638 3.935 . 0 0 "[ . 1 . 2]" 1
258 1 17 VAL MG1 1 69 PRO HD3 . . 3.720 2.249 2.048 2.376 . 0 0 "[ . 1 . 2]" 1
259 1 17 VAL MG1 1 69 PRO HG2 . . 4.730 4.488 4.259 4.647 . 0 0 "[ . 1 . 2]" 1
260 1 17 VAL MG1 1 69 PRO HG3 . . 3.650 3.232 3.001 3.425 . 0 0 "[ . 1 . 2]" 1
261 1 17 VAL MG2 1 18 SER H . . 3.900 3.800 3.574 3.899 . 0 0 "[ . 1 . 2]" 1
262 1 17 VAL MG2 1 18 SER HA . . 4.710 4.096 3.889 4.195 . 0 0 "[ . 1 . 2]" 1
263 1 17 VAL MG2 1 19 GLU HG2 . . 4.470 3.561 2.600 4.468 . 0 0 "[ . 1 . 2]" 1
264 1 17 VAL MG2 1 19 GLU QG . . 3.870 3.011 2.555 3.845 . 0 0 "[ . 1 . 2]" 1
265 1 17 VAL MG2 1 19 GLU HG3 . . 4.470 3.622 2.713 4.295 . 0 0 "[ . 1 . 2]" 1
266 1 17 VAL MG2 1 66 THR HA . . 4.780 4.485 4.274 4.706 . 0 0 "[ . 1 . 2]" 1
267 1 17 VAL MG2 1 67 GLY H . . 4.010 3.809 3.527 3.997 . 0 0 "[ . 1 . 2]" 1
268 1 17 VAL MG2 1 68 LEU HA . . 4.180 3.060 2.647 3.469 . 0 0 "[ . 1 . 2]" 1
269 1 17 VAL MG2 1 69 PRO HA . . 3.240 2.418 2.210 2.563 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL MG2 1 69 PRO HB2 . . 3.840 3.706 3.494 3.840 0.000 6 0 "[ . 1 . 2]" 1
271 1 17 VAL MG2 1 69 PRO HB3 . . 3.770 2.288 1.991 2.520 . 0 0 "[ . 1 . 2]" 1
272 1 17 VAL MG2 1 69 PRO HD2 . . 4.310 3.719 3.466 4.021 . 0 0 "[ . 1 . 2]" 1
273 1 17 VAL MG2 1 69 PRO HD3 . . 3.940 2.403 2.070 2.813 . 0 0 "[ . 1 . 2]" 1
274 1 17 VAL MG2 1 69 PRO HG2 . . 4.340 4.249 4.104 4.341 0.001 15 0 "[ . 1 . 2]" 1
275 1 17 VAL MG2 1 69 PRO HG3 . . 3.710 3.544 3.391 3.709 . 0 0 "[ . 1 . 2]" 1
276 1 17 VAL MG2 1 72 VAL H . . 4.680 4.537 4.326 4.669 . 0 0 "[ . 1 . 2]" 1
277 1 17 VAL MG2 1 72 VAL HB . . 3.820 3.560 3.211 3.764 . 0 0 "[ . 1 . 2]" 1
278 1 17 VAL MG2 1 72 VAL MG2 . . 2.990 2.501 2.191 2.760 . 0 0 "[ . 1 . 2]" 1
279 1 18 SER H 1 18 SER HB2 . . 3.720 3.360 2.337 3.712 . 0 0 "[ . 1 . 2]" 1
280 1 18 SER H 1 18 SER QB . . 3.180 2.476 2.215 2.684 . 0 0 "[ . 1 . 2]" 1
281 1 18 SER H 1 18 SER HB3 . . 3.720 2.734 2.259 3.672 . 0 0 "[ . 1 . 2]" 1
282 1 18 SER H 1 19 GLU H . . 4.610 4.439 4.292 4.554 . 0 0 "[ . 1 . 2]" 1
283 1 18 SER H 1 66 THR HA . . 4.930 4.620 4.318 4.799 . 0 0 "[ . 1 . 2]" 1
284 1 18 SER HA 1 19 GLU H . . 2.970 2.152 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
285 1 18 SER HA 1 19 GLU HB2 . . 4.980 4.276 4.178 4.376 . 0 0 "[ . 1 . 2]" 1
286 1 18 SER HA 1 64 THR MG . . 4.470 3.573 3.433 3.692 . 0 0 "[ . 1 . 2]" 1
287 1 18 SER HA 1 65 VAL H . . 4.970 4.772 4.479 4.969 . 0 0 "[ . 1 . 2]" 1
288 1 18 SER HA 1 66 THR H . . 5.050 4.722 4.459 4.985 . 0 0 "[ . 1 . 2]" 1
289 1 18 SER HA 1 66 THR HA . . 3.490 2.357 2.111 2.584 . 0 0 "[ . 1 . 2]" 1
290 1 18 SER HA 1 66 THR MG . . 3.990 3.182 2.861 3.408 . 0 0 "[ . 1 . 2]" 1
291 1 18 SER HA 1 67 GLY H . . 4.180 3.937 3.694 4.107 . 0 0 "[ . 1 . 2]" 1
292 1 18 SER HA 1 72 VAL MG2 . . 4.450 4.271 3.937 4.432 . 0 0 "[ . 1 . 2]" 1
293 1 18 SER QB 1 19 GLU H . . 3.800 3.354 2.957 3.801 0.001 13 0 "[ . 1 . 2]" 1
294 1 18 SER QB 1 64 THR MG . . 3.140 2.505 2.053 3.128 . 0 0 "[ . 1 . 2]" 1
295 1 18 SER QB 1 66 THR MG . . 3.820 3.155 2.682 3.780 . 0 0 "[ . 1 . 2]" 1
296 1 18 SER HB2 1 19 GLU H . . 4.520 3.657 3.131 4.487 . 0 0 "[ . 1 . 2]" 1
297 1 18 SER HB2 1 64 THR MG . . 3.920 2.782 2.356 3.792 . 0 0 "[ . 1 . 2]" 1
298 1 18 SER HB2 1 66 THR HA . . 4.930 4.166 3.499 4.841 . 0 0 "[ . 1 . 2]" 1
299 1 18 SER HB2 1 66 THR MG . . 4.350 3.856 2.713 4.314 . 0 0 "[ . 1 . 2]" 1
300 1 18 SER HB3 1 19 GLU H . . 4.520 4.210 3.026 4.493 . 0 0 "[ . 1 . 2]" 1
301 1 18 SER HB3 1 64 THR MG . . 3.920 3.528 2.070 3.905 . 0 0 "[ . 1 . 2]" 1
302 1 18 SER HB3 1 66 THR HA . . 4.930 4.236 3.965 4.853 . 0 0 "[ . 1 . 2]" 1
303 1 18 SER HB3 1 66 THR MG . . 4.350 3.525 3.094 4.258 . 0 0 "[ . 1 . 2]" 1
304 1 19 GLU H 1 19 GLU HB2 . . 3.680 2.462 2.334 2.618 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLU H 1 19 GLU HB3 . . 3.800 3.604 3.557 3.735 . 0 0 "[ . 1 . 2]" 1
306 1 19 GLU H 1 19 GLU HG2 . . 4.810 3.973 3.483 4.775 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLU H 1 19 GLU QG . . 4.140 3.478 3.196 3.992 . 0 0 "[ . 1 . 2]" 1
308 1 19 GLU H 1 19 GLU HG3 . . 4.810 4.170 3.295 4.676 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU H 1 20 ASP H . . 4.730 4.477 4.373 4.534 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLU H 1 64 THR HA . . 4.730 4.415 4.032 4.625 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU H 1 64 THR MG . . 4.010 3.454 3.094 3.818 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLU H 1 65 VAL H . . 3.660 3.291 3.029 3.532 . 0 0 "[ . 1 . 2]" 1
313 1 19 GLU H 1 65 VAL HA . . 4.980 4.819 4.660 4.934 . 0 0 "[ . 1 . 2]" 1
314 1 19 GLU H 1 65 VAL HB . . 4.280 3.652 3.483 3.912 . 0 0 "[ . 1 . 2]" 1
315 1 19 GLU H 1 65 VAL MG1 . . 4.540 4.340 4.184 4.480 . 0 0 "[ . 1 . 2]" 1
316 1 19 GLU H 1 66 THR HA . . 3.880 3.587 3.338 3.737 . 0 0 "[ . 1 . 2]" 1
317 1 19 GLU H 1 72 VAL MG1 . . 4.040 3.672 3.351 4.036 . 0 0 "[ . 1 . 2]" 1
318 1 19 GLU H 1 72 VAL MG2 . . 4.470 4.054 3.749 4.275 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLU HA 1 19 GLU HG2 . . 4.150 2.787 2.452 3.507 . 0 0 "[ . 1 . 2]" 1
320 1 19 GLU HA 1 19 GLU HG3 . . 4.150 3.159 2.179 3.641 . 0 0 "[ . 1 . 2]" 1
321 1 19 GLU HA 1 20 ASP H . . 2.800 2.343 2.206 2.410 . 0 0 "[ . 1 . 2]" 1
322 1 19 GLU HA 1 20 ASP HA . . 5.020 4.383 4.361 4.409 . 0 0 "[ . 1 . 2]" 1
323 1 19 GLU HA 1 20 ASP QB . . 4.900 4.434 4.174 4.660 . 0 0 "[ . 1 . 2]" 1
324 1 19 GLU HB2 1 20 ASP H . . 4.220 3.975 3.844 4.212 . 0 0 "[ . 1 . 2]" 1
325 1 19 GLU HB2 1 21 VAL MG2 . . 4.360 3.916 3.704 4.159 . 0 0 "[ . 1 . 2]" 1
326 1 19 GLU HB2 1 65 VAL H . . 4.770 4.202 4.037 4.434 . 0 0 "[ . 1 . 2]" 1
327 1 19 GLU HB2 1 65 VAL HB . . 4.510 3.371 3.124 3.621 . 0 0 "[ . 1 . 2]" 1
328 1 19 GLU HB2 1 65 VAL MG1 . . 4.780 4.208 3.978 4.474 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLU HB2 1 72 VAL MG1 . . 3.550 2.161 1.984 2.398 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLU HB2 1 76 ILE MD . . 3.790 3.552 2.981 3.790 0.000 9 0 "[ . 1 . 2]" 1
331 1 19 GLU HB3 1 20 ASP H . . 3.890 2.654 2.462 3.034 . 0 0 "[ . 1 . 2]" 1
332 1 19 GLU HB3 1 21 VAL MG2 . . 3.980 3.355 3.210 3.522 . 0 0 "[ . 1 . 2]" 1
333 1 19 GLU HB3 1 65 VAL H . . 5.090 4.649 4.502 4.820 . 0 0 "[ . 1 . 2]" 1
334 1 19 GLU HB3 1 65 VAL HB . . 4.370 4.258 4.063 4.360 . 0 0 "[ . 1 . 2]" 1
335 1 19 GLU HB3 1 72 VAL MG1 . . 3.500 3.186 2.850 3.470 . 0 0 "[ . 1 . 2]" 1
336 1 19 GLU HB3 1 76 ILE MD . . 3.740 3.114 2.696 3.500 . 0 0 "[ . 1 . 2]" 1
337 1 19 GLU QG 1 20 ASP H . . 3.990 3.759 3.290 3.992 0.002 14 0 "[ . 1 . 2]" 1
338 1 19 GLU QG 1 72 VAL MG1 . . 3.640 2.884 2.066 3.315 . 0 0 "[ . 1 . 2]" 1
339 1 19 GLU QG 1 76 ILE MD . . 3.920 3.618 3.204 3.920 . 0 0 "[ . 1 . 2]" 1
340 1 19 GLU HG2 1 20 ASP H . . 4.700 4.205 3.396 4.662 . 0 0 "[ . 1 . 2]" 1
341 1 19 GLU HG3 1 20 ASP H . . 4.700 4.370 3.476 4.701 0.001 8 0 "[ . 1 . 2]" 1
342 1 20 ASP H 1 20 ASP HB2 . . 3.790 3.200 2.390 3.773 . 0 0 "[ . 1 . 2]" 1
343 1 20 ASP H 1 20 ASP QB . . 3.140 2.780 2.358 3.055 . 0 0 "[ . 1 . 2]" 1
344 1 20 ASP H 1 20 ASP HB3 . . 3.790 3.365 2.863 3.770 . 0 0 "[ . 1 . 2]" 1
345 1 20 ASP H 1 21 VAL H . . 4.490 4.352 4.228 4.471 . 0 0 "[ . 1 . 2]" 1
346 1 20 ASP H 1 21 VAL MG2 . . 4.730 4.146 4.035 4.335 . 0 0 "[ . 1 . 2]" 1
347 1 20 ASP HA 1 21 VAL H . . 2.940 2.146 2.138 2.185 . 0 0 "[ . 1 . 2]" 1
348 1 20 ASP HA 1 21 VAL HA . . 5.390 4.396 4.393 4.408 . 0 0 "[ . 1 . 2]" 1
349 1 20 ASP HA 1 21 VAL HB . . 5.090 4.926 4.843 4.980 . 0 0 "[ . 1 . 2]" 1
350 1 20 ASP HA 1 21 VAL MG2 . . 4.290 3.353 3.183 3.530 . 0 0 "[ . 1 . 2]" 1
351 1 20 ASP HA 1 63 VAL H . . 4.550 4.397 4.115 4.551 0.001 16 0 "[ . 1 . 2]" 1
352 1 20 ASP HA 1 64 THR HA . . 3.590 2.800 2.565 3.060 . 0 0 "[ . 1 . 2]" 1
353 1 20 ASP HA 1 64 THR MG . . 4.520 4.230 3.894 4.520 0.000 20 0 "[ . 1 . 2]" 1
354 1 20 ASP HA 1 65 VAL H . . 3.940 3.564 3.360 3.832 . 0 0 "[ . 1 . 2]" 1
355 1 20 ASP QB 1 21 VAL H . . 3.700 3.311 3.027 3.488 . 0 0 "[ . 1 . 2]" 1
356 1 20 ASP QB 1 21 VAL HA . . 5.340 4.344 4.166 4.662 . 0 0 "[ . 1 . 2]" 1
357 1 20 ASP HB2 1 21 VAL H . . 4.450 3.799 3.106 4.437 . 0 0 "[ . 1 . 2]" 1
358 1 20 ASP HB3 1 21 VAL H . . 4.450 3.871 3.200 4.405 . 0 0 "[ . 1 . 2]" 1
359 1 21 VAL H 1 21 VAL HB . . 3.510 2.860 2.763 2.941 . 0 0 "[ . 1 . 2]" 1
360 1 21 VAL H 1 21 VAL MG1 . . 4.180 3.888 3.842 3.939 . 0 0 "[ . 1 . 2]" 1
361 1 21 VAL H 1 21 VAL MG2 . . 3.390 2.239 2.079 2.386 . 0 0 "[ . 1 . 2]" 1
362 1 21 VAL H 1 22 PRO HD2 . . 4.760 4.768 4.723 4.791 0.031 4 0 "[ . 1 . 2]" 1
363 1 21 VAL H 1 22 PRO HD3 . . 4.830 4.554 4.437 4.623 . 0 0 "[ . 1 . 2]" 1
364 1 21 VAL H 1 62 CYS HA . . 4.940 4.637 4.458 4.884 . 0 0 "[ . 1 . 2]" 1
365 1 21 VAL H 1 63 VAL H . . 3.600 2.968 2.811 3.199 . 0 0 "[ . 1 . 2]" 1
366 1 21 VAL H 1 63 VAL MG2 . . 4.350 2.586 2.241 2.873 . 0 0 "[ . 1 . 2]" 1
367 1 21 VAL H 1 64 THR HA . . 3.780 3.701 3.568 3.781 0.001 4 0 "[ . 1 . 2]" 1
368 1 21 VAL HA 1 21 VAL MG1 . . 3.480 2.127 2.057 2.295 . 0 0 "[ . 1 . 2]" 1
369 1 21 VAL HA 1 21 VAL MG2 . . 3.540 2.588 2.524 2.613 . 0 0 "[ . 1 . 2]" 1
370 1 21 VAL HA 1 22 PRO HD2 . . 3.210 1.989 1.975 2.018 . 0 0 "[ . 1 . 2]" 1
371 1 21 VAL HA 1 22 PRO HD3 . . 3.200 2.314 2.292 2.327 . 0 0 "[ . 1 . 2]" 1
372 1 21 VAL HA 1 22 PRO HG2 . . 4.280 4.185 4.174 4.208 . 0 0 "[ . 1 . 2]" 1
373 1 21 VAL HA 1 22 PRO HG3 . . 4.550 4.316 4.315 4.317 . 0 0 "[ . 1 . 2]" 1
374 1 21 VAL HB 1 22 PRO HD2 . . 4.580 4.107 4.028 4.169 . 0 0 "[ . 1 . 2]" 1
375 1 21 VAL HB 1 22 PRO HD3 . . 5.200 4.929 4.891 4.962 . 0 0 "[ . 1 . 2]" 1
376 1 21 VAL HB 1 63 VAL H . . 3.940 3.650 3.523 3.831 . 0 0 "[ . 1 . 2]" 1
377 1 21 VAL HB 1 63 VAL HB . . 4.950 4.745 4.469 4.947 . 0 0 "[ . 1 . 2]" 1
378 1 21 VAL HB 1 63 VAL MG1 . . 4.340 4.089 3.851 4.242 . 0 0 "[ . 1 . 2]" 1
379 1 21 VAL HB 1 63 VAL MG2 . . 3.460 1.986 1.872 2.133 . 0 0 "[ . 1 . 2]" 1
380 1 21 VAL HB 1 65 VAL MG2 . . 4.220 3.320 3.079 3.496 . 0 0 "[ . 1 . 2]" 1
381 1 21 VAL MG1 1 22 PRO HD2 . . 3.530 2.009 1.973 2.170 . 0 0 "[ . 1 . 2]" 1
382 1 21 VAL MG1 1 22 PRO HD3 . . 3.700 3.431 3.387 3.499 . 0 0 "[ . 1 . 2]" 1
383 1 21 VAL MG1 1 22 PRO HG2 . . 4.770 3.509 3.391 3.603 . 0 0 "[ . 1 . 2]" 1
384 1 21 VAL MG1 1 22 PRO HG3 . . 4.960 4.377 4.332 4.436 . 0 0 "[ . 1 . 2]" 1
385 1 21 VAL MG1 1 23 LEU HB2 . . 4.550 3.721 3.417 3.903 . 0 0 "[ . 1 . 2]" 1
386 1 21 VAL MG1 1 23 LEU HB3 . . 5.240 5.148 4.890 5.241 0.001 5 0 "[ . 1 . 2]" 1
387 1 21 VAL MG1 1 63 VAL H . . 4.990 4.787 4.671 4.933 . 0 0 "[ . 1 . 2]" 1
388 1 21 VAL MG1 1 63 VAL MG1 . . 4.850 4.783 4.550 4.849 . 0 0 "[ . 1 . 2]" 1
389 1 21 VAL MG1 1 63 VAL MG2 . . 3.710 3.250 3.049 3.418 . 0 0 "[ . 1 . 2]" 1
390 1 21 VAL MG1 1 76 ILE HA . . 3.640 2.841 2.507 3.227 . 0 0 "[ . 1 . 2]" 1
391 1 21 VAL MG1 1 76 ILE HB . . 3.940 3.928 3.879 3.943 0.003 9 0 "[ . 1 . 2]" 1
392 1 21 VAL MG1 1 79 ILE HG12 . . 5.500 5.002 4.676 5.322 . 0 0 "[ . 1 . 2]" 1
393 1 21 VAL MG2 1 22 PRO HD2 . . 4.100 3.972 3.889 4.034 . 0 0 "[ . 1 . 2]" 1
394 1 21 VAL MG2 1 22 PRO HD3 . . 4.550 4.530 4.485 4.558 0.008 11 0 "[ . 1 . 2]" 1
395 1 21 VAL MG2 1 63 VAL HB . . 5.500 4.747 4.601 4.957 . 0 0 "[ . 1 . 2]" 1
396 1 21 VAL MG2 1 63 VAL MG2 . . 3.880 2.543 2.387 2.762 . 0 0 "[ . 1 . 2]" 1
397 1 21 VAL MG2 1 64 THR HA . . 4.870 4.061 3.827 4.273 . 0 0 "[ . 1 . 2]" 1
398 1 21 VAL MG2 1 65 VAL H . . 3.950 3.080 2.885 3.350 . 0 0 "[ . 1 . 2]" 1
399 1 21 VAL MG2 1 65 VAL HB . . 3.300 2.904 2.684 3.161 . 0 0 "[ . 1 . 2]" 1
400 1 21 VAL MG2 1 65 VAL MG2 . . 2.980 1.956 1.716 2.203 . 0 0 "[ . 1 . 2]" 1
401 1 21 VAL MG2 1 76 ILE HA . . 4.430 3.339 2.958 3.669 . 0 0 "[ . 1 . 2]" 1
402 1 21 VAL MG2 1 76 ILE MD . . 2.910 2.408 1.948 2.801 . 0 0 "[ . 1 . 2]" 1
403 1 21 VAL MG2 1 76 ILE HG12 . . 2.940 1.896 1.779 2.003 . 0 0 "[ . 1 . 2]" 1
404 1 21 VAL MG2 1 76 ILE HG13 . . 3.380 3.136 2.943 3.381 0.001 20 0 "[ . 1 . 2]" 1
405 1 22 PRO HA 1 23 LEU H . . 2.940 2.227 2.210 2.241 . 0 0 "[ . 1 . 2]" 1
406 1 22 PRO HA 1 62 CYS HA . . 4.140 2.645 2.479 2.853 . 0 0 "[ . 1 . 2]" 1
407 1 22 PRO HA 1 63 VAL H . . 4.180 3.935 3.758 4.147 . 0 0 "[ . 1 . 2]" 1
408 1 22 PRO QB 1 23 LEU H . . 3.740 3.710 3.677 3.735 . 0 0 "[ . 1 . 2]" 1
409 1 22 PRO HB2 1 23 LEU H . . 4.400 4.020 3.980 4.051 . 0 0 "[ . 1 . 2]" 1
410 1 22 PRO HB3 1 23 LEU H . . 4.400 4.354 4.323 4.378 . 0 0 "[ . 1 . 2]" 1
411 1 22 PRO HD2 1 80 LEU MD2 . . 4.750 4.375 4.115 4.634 . 0 0 "[ . 1 . 2]" 1
412 1 22 PRO HG2 1 80 LEU MD1 . . 4.090 3.490 2.970 3.907 . 0 0 "[ . 1 . 2]" 1
413 1 22 PRO HG2 1 80 LEU MD2 . . 4.340 3.228 2.825 3.563 . 0 0 "[ . 1 . 2]" 1
414 1 22 PRO HG2 1 80 LEU HG . . 4.920 4.419 3.813 4.888 . 0 0 "[ . 1 . 2]" 1
415 1 22 PRO HG3 1 80 LEU MD1 . . 5.500 4.554 3.956 4.952 . 0 0 "[ . 1 . 2]" 1
416 1 22 PRO HG3 1 80 LEU MD2 . . 5.500 4.660 4.252 5.003 . 0 0 "[ . 1 . 2]" 1
417 1 23 LEU H 1 23 LEU HB2 . . 3.820 2.908 2.814 3.040 . 0 0 "[ . 1 . 2]" 1
418 1 23 LEU H 1 23 LEU HB3 . . 3.950 2.699 2.610 2.784 . 0 0 "[ . 1 . 2]" 1
419 1 23 LEU H 1 23 LEU MD1 . . 4.560 4.269 4.144 4.400 . 0 0 "[ . 1 . 2]" 1
420 1 23 LEU H 1 23 LEU MD2 . . 4.690 4.433 4.328 4.492 . 0 0 "[ . 1 . 2]" 1
421 1 23 LEU H 1 23 LEU HG . . 4.830 4.558 4.465 4.623 . 0 0 "[ . 1 . 2]" 1
422 1 23 LEU H 1 24 ASP H . . 4.850 4.314 4.137 4.388 . 0 0 "[ . 1 . 2]" 1
423 1 23 LEU H 1 61 ASN HA . . 4.740 4.368 4.018 4.590 . 0 0 "[ . 1 . 2]" 1
424 1 23 LEU H 1 61 ASN QB . . 4.200 4.070 3.871 4.201 0.001 20 0 "[ . 1 . 2]" 1
425 1 23 LEU H 1 62 CYS H . . 4.590 4.531 4.320 4.592 0.002 5 0 "[ . 1 . 2]" 1
426 1 23 LEU H 1 62 CYS HA . . 3.410 2.378 2.253 2.530 . 0 0 "[ . 1 . 2]" 1
427 1 23 LEU H 1 62 CYS HB2 . . 4.720 4.582 4.427 4.702 . 0 0 "[ . 1 . 2]" 1
428 1 23 LEU H 1 62 CYS HB3 . . 5.500 5.358 5.212 5.493 . 0 0 "[ . 1 . 2]" 1
429 1 23 LEU H 1 63 VAL H . . 4.200 3.475 3.274 3.623 . 0 0 "[ . 1 . 2]" 1
430 1 23 LEU H 1 63 VAL MG2 . . 4.720 3.919 3.548 4.293 . 0 0 "[ . 1 . 2]" 1
431 1 23 LEU HA 1 23 LEU MD1 . . 3.340 2.278 2.131 2.532 . 0 0 "[ . 1 . 2]" 1
432 1 23 LEU HA 1 23 LEU MD2 . . 4.240 3.885 3.846 3.932 . 0 0 "[ . 1 . 2]" 1
433 1 23 LEU HA 1 24 ASP HB2 . . 4.890 4.376 4.332 4.435 . 0 0 "[ . 1 . 2]" 1
434 1 23 LEU HA 1 24 ASP QB . . 4.210 4.069 4.056 4.082 . 0 0 "[ . 1 . 2]" 1
435 1 23 LEU HA 1 24 ASP HB3 . . 4.890 4.842 4.769 4.891 0.001 14 0 "[ . 1 . 2]" 1
436 1 23 LEU HB2 1 23 LEU MD1 . . 3.650 2.193 2.047 2.300 . 0 0 "[ . 1 . 2]" 1
437 1 23 LEU HB2 1 23 LEU MD2 . . 3.520 2.488 2.333 2.646 . 0 0 "[ . 1 . 2]" 1
438 1 23 LEU HB2 1 28 HIS HD2 . . 4.670 4.367 4.087 4.642 . 0 0 "[ . 1 . 2]" 1
439 1 23 LEU HB2 1 63 VAL MG1 . . 4.470 2.884 2.679 3.107 . 0 0 "[ . 1 . 2]" 1
440 1 23 LEU HB2 1 63 VAL MG2 . . 4.060 2.862 2.445 3.128 . 0 0 "[ . 1 . 2]" 1
441 1 23 LEU HB2 1 79 ILE MD . . 4.990 4.530 4.065 4.773 . 0 0 "[ . 1 . 2]" 1
442 1 23 LEU HB3 1 23 LEU MD2 . . 3.430 2.167 2.010 2.287 . 0 0 "[ . 1 . 2]" 1
443 1 23 LEU HB3 1 24 ASP H . . 5.250 4.140 3.967 4.297 . 0 0 "[ . 1 . 2]" 1
444 1 23 LEU HB3 1 63 VAL MG1 . . 4.300 2.325 1.982 2.543 . 0 0 "[ . 1 . 2]" 1
445 1 23 LEU HB3 1 63 VAL MG2 . . 4.130 3.391 3.052 3.743 . 0 0 "[ . 1 . 2]" 1
446 1 23 LEU MD1 1 24 ASP H . . 4.170 2.992 2.456 3.395 . 0 0 "[ . 1 . 2]" 1
447 1 23 LEU MD1 1 27 VAL MG2 . . 3.390 2.170 1.955 2.486 . 0 0 "[ . 1 . 2]" 1
448 1 23 LEU MD1 1 28 HIS H . . 5.500 5.168 4.745 5.485 . 0 0 "[ . 1 . 2]" 1
449 1 23 LEU MD1 1 28 HIS HD2 . . 4.510 3.771 3.448 3.971 . 0 0 "[ . 1 . 2]" 1
450 1 23 LEU MD1 1 52 PHE QE . . 5.240 4.417 4.054 4.708 . 0 0 "[ . 1 . 2]" 1
451 1 23 LEU MD1 1 52 PHE HZ . . 5.500 5.057 4.508 5.487 . 0 0 "[ . 1 . 2]" 1
452 1 23 LEU MD1 1 63 VAL MG1 . . 4.330 3.983 3.617 4.167 . 0 0 "[ . 1 . 2]" 1
453 1 23 LEU MD1 1 63 VAL MG2 . . 4.140 3.965 3.759 4.113 . 0 0 "[ . 1 . 2]" 1
454 1 23 LEU MD1 1 80 LEU HA . . 3.940 3.298 3.019 3.677 . 0 0 "[ . 1 . 2]" 1
455 1 23 LEU MD1 1 82 LEU H . . 5.500 5.208 4.999 5.365 . 0 0 "[ . 1 . 2]" 1
456 1 23 LEU MD1 1 83 GLU H . . 4.350 3.745 3.457 3.967 . 0 0 "[ . 1 . 2]" 1
457 1 23 LEU MD1 1 83 GLU HA . . 4.220 3.490 3.132 3.764 . 0 0 "[ . 1 . 2]" 1
458 1 23 LEU MD1 1 83 GLU HB2 . . 3.850 2.183 1.906 2.431 . 0 0 "[ . 1 . 2]" 1
459 1 23 LEU MD1 1 83 GLU QB . . 3.320 2.163 1.891 2.405 . 0 0 "[ . 1 . 2]" 1
460 1 23 LEU MD1 1 83 GLU HB3 . . 3.850 3.544 3.156 3.811 . 0 0 "[ . 1 . 2]" 1
461 1 23 LEU MD1 1 83 GLU HG2 . . 3.960 3.805 3.408 3.961 0.001 2 0 "[ . 1 . 2]" 1
462 1 23 LEU MD1 1 83 GLU QG . . 3.450 2.480 2.107 3.165 . 0 0 "[ . 1 . 2]" 1
463 1 23 LEU MD1 1 83 GLU HG3 . . 3.960 2.526 2.120 3.342 . 0 0 "[ . 1 . 2]" 1
464 1 23 LEU MD2 1 27 VAL H . . 5.500 4.946 4.281 5.251 . 0 0 "[ . 1 . 2]" 1
465 1 23 LEU MD2 1 27 VAL MG2 . . 3.740 2.746 2.248 3.170 . 0 0 "[ . 1 . 2]" 1
466 1 23 LEU MD2 1 28 HIS H . . 5.090 4.084 3.145 4.604 . 0 0 "[ . 1 . 2]" 1
467 1 23 LEU MD2 1 28 HIS HA . . 4.370 2.404 2.007 2.719 . 0 0 "[ . 1 . 2]" 1
468 1 23 LEU MD2 1 28 HIS HD2 . . 3.850 2.197 1.956 2.762 . 0 0 "[ . 1 . 2]" 1
469 1 23 LEU MD2 1 31 ILE HB . . 4.660 3.334 3.038 3.570 . 0 0 "[ . 1 . 2]" 1
470 1 23 LEU MD2 1 31 ILE MD . . 3.320 2.004 1.753 2.660 . 0 0 "[ . 1 . 2]" 1
471 1 23 LEU MD2 1 52 PHE QD . . 5.020 3.451 3.001 3.827 . 0 0 "[ . 1 . 2]" 1
472 1 23 LEU MD2 1 52 PHE QE . . 3.840 1.951 1.777 2.207 . 0 0 "[ . 1 . 2]" 1
473 1 23 LEU MD2 1 52 PHE HZ . . 4.350 3.071 2.437 3.476 . 0 0 "[ . 1 . 2]" 1
474 1 23 LEU MD2 1 63 VAL HB . . 4.800 4.328 4.050 4.662 . 0 0 "[ . 1 . 2]" 1
475 1 23 LEU MD2 1 63 VAL MG1 . . 3.250 2.098 1.922 2.511 . 0 0 "[ . 1 . 2]" 1
476 1 23 LEU MD2 1 63 VAL MG2 . . 3.660 3.073 2.780 3.339 . 0 0 "[ . 1 . 2]" 1
477 1 23 LEU MD2 1 79 ILE MG . . 3.140 2.424 1.925 2.885 . 0 0 "[ . 1 . 2]" 1
478 1 23 LEU HG 1 24 ASP H . . 5.050 3.056 2.770 3.421 . 0 0 "[ . 1 . 2]" 1
479 1 23 LEU HG 1 27 VAL H . . 5.500 4.452 4.191 4.712 . 0 0 "[ . 1 . 2]" 1
480 1 23 LEU HG 1 27 VAL MG2 . . 3.730 2.236 1.960 2.814 . 0 0 "[ . 1 . 2]" 1
481 1 23 LEU HG 1 28 HIS H . . 5.300 4.250 3.758 4.905 . 0 0 "[ . 1 . 2]" 1
482 1 23 LEU HG 1 28 HIS HA . . 4.820 3.792 3.409 4.028 . 0 0 "[ . 1 . 2]" 1
483 1 23 LEU HG 1 28 HIS HD2 . . 3.820 2.155 2.001 2.366 . 0 0 "[ . 1 . 2]" 1
484 1 24 ASP H 1 24 ASP HB2 . . 3.880 2.332 2.220 2.398 . 0 0 "[ . 1 . 2]" 1
485 1 24 ASP H 1 24 ASP HB3 . . 3.880 2.758 2.672 2.918 . 0 0 "[ . 1 . 2]" 1
486 1 24 ASP HA 1 25 HIS H . . 3.400 2.211 2.146 2.310 . 0 0 "[ . 1 . 2]" 1
487 1 24 ASP HA 1 25 HIS QB . . 4.880 4.190 4.069 4.456 . 0 0 "[ . 1 . 2]" 1
488 1 24 ASP HA 1 26 ARG H . . 4.720 3.727 3.563 4.036 . 0 0 "[ . 1 . 2]" 1
489 1 24 ASP HA 1 61 ASN HA . . 4.960 3.785 3.410 4.190 . 0 0 "[ . 1 . 2]" 1
490 1 24 ASP HA 1 61 ASN QB . . 3.910 2.969 2.515 3.416 . 0 0 "[ . 1 . 2]" 1
491 1 24 ASP QB 1 25 HIS H . . 4.290 3.562 3.315 3.746 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASP QB 1 26 ARG H . . 4.570 2.978 2.808 3.285 . 0 0 "[ . 1 . 2]" 1
493 1 24 ASP QB 1 27 VAL H . . 5.060 2.992 2.624 3.331 . 0 0 "[ . 1 . 2]" 1
494 1 24 ASP QB 1 87 LEU MD1 . . 3.790 2.907 2.521 3.495 . 0 0 "[ . 1 . 2]" 1
495 1 24 ASP QB 1 87 LEU MD2 . . 3.650 3.235 2.783 3.602 . 0 0 "[ . 1 . 2]" 1
496 1 24 ASP HB2 1 25 HIS H . . 4.890 4.210 4.082 4.371 . 0 0 "[ . 1 . 2]" 1
497 1 24 ASP HB2 1 87 LEU MD1 . . 4.440 3.208 2.838 3.893 . 0 0 "[ . 1 . 2]" 1
498 1 24 ASP HB3 1 25 HIS H . . 4.890 3.847 3.506 4.078 . 0 0 "[ . 1 . 2]" 1
499 1 24 ASP HB3 1 87 LEU MD1 . . 4.440 3.350 2.817 3.954 . 0 0 "[ . 1 . 2]" 1
500 1 25 HIS H 1 25 HIS HB2 . . 3.950 3.182 2.275 3.614 . 0 0 "[ . 1 . 2]" 1
501 1 25 HIS H 1 25 HIS HB3 . . 3.950 2.434 2.255 2.834 . 0 0 "[ . 1 . 2]" 1
502 1 25 HIS H 1 25 HIS HD2 . . 5.050 4.215 2.146 5.056 0.006 14 0 "[ . 1 . 2]" 1
503 1 25 HIS H 1 26 ARG H . . 4.220 2.556 2.421 2.688 . 0 0 "[ . 1 . 2]" 1
504 1 25 HIS H 1 61 ASN HA . . 4.560 3.525 3.106 3.812 . 0 0 "[ . 1 . 2]" 1
505 1 25 HIS HA 1 26 ARG HA . . 4.910 4.746 4.714 4.818 . 0 0 "[ . 1 . 2]" 1
506 1 25 HIS HA 1 28 HIS H . . 5.080 2.994 2.756 3.271 . 0 0 "[ . 1 . 2]" 1
507 1 25 HIS HA 1 28 HIS HB2 . . 5.350 2.586 2.291 2.904 . 0 0 "[ . 1 . 2]" 1
508 1 25 HIS HA 1 28 HIS HD2 . . 3.660 3.171 2.775 3.605 . 0 0 "[ . 1 . 2]" 1
509 1 25 HIS QB 1 26 ARG H . . 3.960 3.456 3.015 3.755 . 0 0 "[ . 1 . 2]" 1
510 1 25 HIS QB 1 28 HIS HE1 . . 5.340 4.107 3.658 4.720 . 0 0 "[ . 1 . 2]" 1
511 1 25 HIS QB 1 60 PRO QB . . 4.200 3.425 2.854 3.906 . 0 0 "[ . 1 . 2]" 1
512 1 25 HIS QB 1 61 ASN HA . . 5.180 3.245 2.561 3.562 . 0 0 "[ . 1 . 2]" 1
513 1 25 HIS HB2 1 26 ARG H . . 4.590 4.237 3.995 4.335 . 0 0 "[ . 1 . 2]" 1
514 1 25 HIS HB3 1 26 ARG H . . 4.590 3.720 3.085 4.313 . 0 0 "[ . 1 . 2]" 1
515 1 25 HIS HD2 1 26 ARG H . . 5.200 4.364 3.070 5.063 . 0 0 "[ . 1 . 2]" 1
516 1 26 ARG H 1 26 ARG HB2 . . 4.030 2.330 2.180 2.504 . 0 0 "[ . 1 . 2]" 1
517 1 26 ARG H 1 26 ARG QB . . 3.450 2.300 2.159 2.460 . 0 0 "[ . 1 . 2]" 1
518 1 26 ARG H 1 26 ARG HB3 . . 4.030 3.556 3.482 3.603 . 0 0 "[ . 1 . 2]" 1
519 1 26 ARG H 1 26 ARG QD . . 4.360 4.164 3.452 4.363 0.003 1 0 "[ . 1 . 2]" 1
520 1 26 ARG H 1 26 ARG QG . . 3.420 2.613 2.194 3.052 . 0 0 "[ . 1 . 2]" 1
521 1 26 ARG H 1 27 VAL H . . 3.620 2.493 2.396 2.633 . 0 0 "[ . 1 . 2]" 1
522 1 26 ARG H 1 27 VAL MG2 . . 4.730 3.892 3.732 4.188 . 0 0 "[ . 1 . 2]" 1
523 1 26 ARG H 1 28 HIS H . . 4.690 3.796 3.612 3.977 . 0 0 "[ . 1 . 2]" 1
524 1 26 ARG HA 1 26 ARG HD2 . . 4.610 3.912 2.070 4.611 0.001 6 0 "[ . 1 . 2]" 1
525 1 26 ARG HA 1 26 ARG HD3 . . 4.610 3.805 2.321 4.614 0.004 1 0 "[ . 1 . 2]" 1
526 1 26 ARG HA 1 26 ARG HG2 . . 3.980 2.532 2.202 2.864 . 0 0 "[ . 1 . 2]" 1
527 1 26 ARG HA 1 26 ARG HG3 . . 3.980 3.344 2.432 3.811 . 0 0 "[ . 1 . 2]" 1
528 1 26 ARG HA 1 28 HIS H . . 4.700 4.173 3.875 4.504 . 0 0 "[ . 1 . 2]" 1
529 1 26 ARG HA 1 87 LEU MD2 . . 5.500 4.871 4.225 5.412 . 0 0 "[ . 1 . 2]" 1
530 1 26 ARG QB 1 26 ARG QD . . 3.170 2.247 2.077 2.701 . 0 0 "[ . 1 . 2]" 1
531 1 26 ARG QB 1 27 VAL H . . 4.080 3.060 2.614 3.308 . 0 0 "[ . 1 . 2]" 1
532 1 26 ARG QB 1 87 LEU MD2 . . 3.850 2.339 1.810 2.812 . 0 0 "[ . 1 . 2]" 1
533 1 26 ARG HB2 1 27 VAL H . . 4.720 3.201 2.668 3.506 . 0 0 "[ . 1 . 2]" 1
534 1 26 ARG HB3 1 27 VAL H . . 4.720 3.922 3.743 4.153 . 0 0 "[ . 1 . 2]" 1
535 1 26 ARG QD 1 87 LEU MD2 . . 4.040 3.500 2.593 4.039 . 0 0 "[ . 1 . 2]" 1
536 1 26 ARG HD2 1 87 LEU MD2 . . 4.810 4.026 2.640 4.802 . 0 0 "[ . 1 . 2]" 1
537 1 26 ARG HD3 1 87 LEU MD2 . . 4.810 4.178 3.037 4.758 . 0 0 "[ . 1 . 2]" 1
538 1 27 VAL H 1 27 VAL HB . . 4.170 3.772 3.687 3.819 . 0 0 "[ . 1 . 2]" 1
539 1 27 VAL H 1 27 VAL MG1 . . 3.820 2.681 2.391 2.885 . 0 0 "[ . 1 . 2]" 1
540 1 27 VAL H 1 27 VAL MG2 . . 3.470 2.280 2.188 2.351 . 0 0 "[ . 1 . 2]" 1
541 1 27 VAL H 1 28 HIS H . . 3.180 2.019 1.822 2.288 . 0 0 "[ . 1 . 2]" 1
542 1 27 VAL H 1 28 HIS HA . . 4.700 4.453 4.346 4.666 . 0 0 "[ . 1 . 2]" 1
543 1 27 VAL H 1 28 HIS HB2 . . 4.870 4.051 3.882 4.330 . 0 0 "[ . 1 . 2]" 1
544 1 27 VAL H 1 28 HIS HD2 . . 4.460 3.901 3.352 4.349 . 0 0 "[ . 1 . 2]" 1
545 1 27 VAL H 1 29 ALA H . . 5.500 4.820 4.475 5.135 . 0 0 "[ . 1 . 2]" 1
546 1 27 VAL H 1 87 LEU MD2 . . 4.870 4.362 3.609 4.800 . 0 0 "[ . 1 . 2]" 1
547 1 27 VAL HA 1 27 VAL MG1 . . 3.450 2.371 2.266 2.526 . 0 0 "[ . 1 . 2]" 1
548 1 27 VAL HA 1 30 ARG H . . 4.760 3.327 3.186 3.592 . 0 0 "[ . 1 . 2]" 1
549 1 27 VAL HA 1 31 ILE H . . 4.950 4.279 4.088 4.452 . 0 0 "[ . 1 . 2]" 1
550 1 27 VAL HB 1 28 HIS H . . 4.760 4.242 3.998 4.510 . 0 0 "[ . 1 . 2]" 1
551 1 27 VAL HB 1 31 ILE H . . 5.260 4.387 4.076 4.653 . 0 0 "[ . 1 . 2]" 1
552 1 27 VAL HB 1 31 ILE MD . . 4.340 2.924 2.323 3.369 . 0 0 "[ . 1 . 2]" 1
553 1 27 VAL HB 1 31 ILE QG . . 4.490 3.062 2.791 3.292 . 0 0 "[ . 1 . 2]" 1
554 1 27 VAL HB 1 83 GLU HA . . 5.080 2.876 2.363 3.816 . 0 0 "[ . 1 . 2]" 1
555 1 27 VAL HB 1 86 TYR HB2 . . 4.570 3.002 2.636 3.297 . 0 0 "[ . 1 . 2]" 1
556 1 27 VAL HB 1 86 TYR HB3 . . 4.570 3.610 2.687 4.106 . 0 0 "[ . 1 . 2]" 1
557 1 27 VAL HB 1 86 TYR QD . . 3.970 2.649 2.247 3.065 . 0 0 "[ . 1 . 2]" 1
558 1 27 VAL MG1 1 28 HIS H . . 4.420 4.058 3.909 4.161 . 0 0 "[ . 1 . 2]" 1
559 1 27 VAL MG1 1 83 GLU HA . . 3.820 2.404 2.004 3.188 . 0 0 "[ . 1 . 2]" 1
560 1 27 VAL MG1 1 86 TYR H . . 4.570 3.880 3.549 4.264 . 0 0 "[ . 1 . 2]" 1
561 1 27 VAL MG1 1 86 TYR HB2 . . 3.650 2.203 1.979 2.625 . 0 0 "[ . 1 . 2]" 1
562 1 27 VAL MG1 1 86 TYR HB3 . . 3.650 2.640 2.112 3.127 . 0 0 "[ . 1 . 2]" 1
563 1 27 VAL MG1 1 86 TYR QD . . 4.260 3.290 2.952 3.637 . 0 0 "[ . 1 . 2]" 1
564 1 27 VAL MG1 1 87 LEU H . . 4.120 2.704 2.318 3.015 . 0 0 "[ . 1 . 2]" 1
565 1 27 VAL MG1 1 87 LEU HA . . 3.870 3.355 3.062 3.798 . 0 0 "[ . 1 . 2]" 1
566 1 27 VAL MG1 1 87 LEU MD2 . . 3.190 2.544 2.076 2.965 . 0 0 "[ . 1 . 2]" 1
567 1 27 VAL MG1 1 87 LEU HG . . 3.420 2.025 1.849 2.255 . 0 0 "[ . 1 . 2]" 1
568 1 27 VAL MG2 1 28 HIS H . . 3.900 2.640 2.078 3.207 . 0 0 "[ . 1 . 2]" 1
569 1 27 VAL MG2 1 28 HIS HA . . 4.140 3.138 3.002 3.350 . 0 0 "[ . 1 . 2]" 1
570 1 27 VAL MG2 1 28 HIS HD2 . . 3.790 2.694 2.282 3.021 . 0 0 "[ . 1 . 2]" 1
571 1 27 VAL MG2 1 31 ILE MD . . 3.170 2.240 1.990 2.511 . 0 0 "[ . 1 . 2]" 1
572 1 27 VAL MG2 1 31 ILE QG . . 4.040 3.435 2.818 3.746 . 0 0 "[ . 1 . 2]" 1
573 1 27 VAL MG2 1 83 GLU HA . . 3.670 2.460 2.193 2.755 . 0 0 "[ . 1 . 2]" 1
574 1 27 VAL MG2 1 83 GLU HB2 . . 4.430 2.831 2.140 3.334 . 0 0 "[ . 1 . 2]" 1
575 1 27 VAL MG2 1 83 GLU HB3 . . 4.430 4.056 3.534 4.371 . 0 0 "[ . 1 . 2]" 1
576 1 27 VAL MG2 1 83 GLU HG2 . . 3.820 3.010 2.172 3.437 . 0 0 "[ . 1 . 2]" 1
577 1 27 VAL MG2 1 83 GLU QG . . 3.320 2.167 1.841 3.011 . 0 0 "[ . 1 . 2]" 1
578 1 27 VAL MG2 1 83 GLU HG3 . . 3.820 2.337 1.859 3.637 . 0 0 "[ . 1 . 2]" 1
579 1 27 VAL MG2 1 86 TYR QB . . 4.200 3.908 3.194 4.186 . 0 0 "[ . 1 . 2]" 1
580 1 27 VAL MG2 1 86 TYR QD . . 4.500 3.896 3.462 4.183 . 0 0 "[ . 1 . 2]" 1
581 1 27 VAL MG2 1 87 LEU MD2 . . 4.330 4.110 3.585 4.330 . 0 0 "[ . 1 . 2]" 1
582 1 27 VAL MG2 1 87 LEU HG . . 4.340 3.870 3.569 4.135 . 0 0 "[ . 1 . 2]" 1
583 1 28 HIS H 1 28 HIS HB2 . . 3.520 2.283 2.184 2.450 . 0 0 "[ . 1 . 2]" 1
584 1 28 HIS H 1 28 HIS HB3 . . 3.640 3.548 3.492 3.614 . 0 0 "[ . 1 . 2]" 1
585 1 28 HIS H 1 28 HIS HD2 . . 3.630 2.928 2.374 3.352 . 0 0 "[ . 1 . 2]" 1
586 1 28 HIS H 1 29 ALA H . . 3.850 3.127 2.829 3.343 . 0 0 "[ . 1 . 2]" 1
587 1 28 HIS H 1 29 ALA MB . . 5.500 4.631 4.388 4.831 . 0 0 "[ . 1 . 2]" 1
588 1 28 HIS H 1 32 ILE MD . . 5.310 5.130 4.767 5.310 . 0 0 "[ . 1 . 2]" 1
589 1 28 HIS HA 1 28 HIS HD2 . . 3.790 2.438 2.249 2.776 . 0 0 "[ . 1 . 2]" 1
590 1 28 HIS HA 1 31 ILE H . . 4.190 3.814 3.687 3.963 . 0 0 "[ . 1 . 2]" 1
591 1 28 HIS HA 1 31 ILE HB . . 3.470 3.376 3.044 3.466 . 0 0 "[ . 1 . 2]" 1
592 1 28 HIS HA 1 31 ILE MD . . 4.080 3.238 2.782 3.778 . 0 0 "[ . 1 . 2]" 1
593 1 28 HIS HA 1 31 ILE MG . . 4.730 4.617 4.334 4.732 0.002 20 0 "[ . 1 . 2]" 1
594 1 28 HIS HA 1 32 ILE H . . 4.320 4.105 3.979 4.247 . 0 0 "[ . 1 . 2]" 1
595 1 28 HIS HA 1 32 ILE MD . . 5.140 3.645 3.294 3.847 . 0 0 "[ . 1 . 2]" 1
596 1 28 HIS HA 1 52 PHE QD . . 5.070 4.052 3.791 4.276 . 0 0 "[ . 1 . 2]" 1
597 1 28 HIS HA 1 52 PHE QE . . 4.130 2.538 2.279 2.781 . 0 0 "[ . 1 . 2]" 1
598 1 28 HIS HB2 1 29 ALA H . . 4.070 2.376 2.227 2.501 . 0 0 "[ . 1 . 2]" 1
599 1 28 HIS HB2 1 29 ALA MB . . 4.600 3.902 3.793 3.979 . 0 0 "[ . 1 . 2]" 1
600 1 28 HIS HB2 1 32 ILE MD . . 4.670 3.839 3.605 4.064 . 0 0 "[ . 1 . 2]" 1
601 1 28 HIS HB2 1 32 ILE HG13 . . 5.500 5.421 5.272 5.498 . 0 0 "[ . 1 . 2]" 1
602 1 28 HIS HB2 1 52 PHE QE . . 5.100 4.752 4.398 5.078 . 0 0 "[ . 1 . 2]" 1
603 1 28 HIS HB3 1 29 ALA H . . 4.070 2.718 2.565 2.966 . 0 0 "[ . 1 . 2]" 1
604 1 28 HIS HB3 1 29 ALA MB . . 4.910 4.030 3.921 4.208 . 0 0 "[ . 1 . 2]" 1
605 1 28 HIS HB3 1 32 ILE MD . . 4.190 2.394 2.162 2.670 . 0 0 "[ . 1 . 2]" 1
606 1 28 HIS HB3 1 52 PHE QD . . 4.530 3.610 3.157 4.015 . 0 0 "[ . 1 . 2]" 1
607 1 28 HIS HB3 1 52 PHE QE . . 4.670 3.746 3.362 4.125 . 0 0 "[ . 1 . 2]" 1
608 1 28 HIS HD2 1 31 ILE MD . . 4.390 3.911 3.468 4.179 . 0 0 "[ . 1 . 2]" 1
609 1 28 HIS HE1 1 52 PHE QD . . 5.010 3.434 3.021 3.758 . 0 0 "[ . 1 . 2]" 1
610 1 28 HIS HE1 1 53 PRO HD2 . . 4.260 2.647 2.315 2.965 . 0 0 "[ . 1 . 2]" 1
611 1 28 HIS HE1 1 53 PRO HD3 . . 4.480 3.144 2.674 3.505 . 0 0 "[ . 1 . 2]" 1
612 1 28 HIS HE1 1 53 PRO HG2 . . 4.020 2.338 2.097 2.887 . 0 0 "[ . 1 . 2]" 1
613 1 28 HIS HE1 1 53 PRO HG3 . . 4.020 2.095 2.003 2.181 . 0 0 "[ . 1 . 2]" 1
614 1 28 HIS HE1 1 60 PRO HA . . 5.090 3.833 3.545 4.253 . 0 0 "[ . 1 . 2]" 1
615 1 28 HIS HE1 1 61 ASN HA . . 4.620 3.076 2.731 3.510 . 0 0 "[ . 1 . 2]" 1
616 1 28 HIS HE1 1 62 CYS H . . 3.870 3.593 3.150 3.826 . 0 0 "[ . 1 . 2]" 1
617 1 29 ALA H 1 29 ALA MB . . 3.270 2.041 2.027 2.072 . 0 0 "[ . 1 . 2]" 1
618 1 29 ALA H 1 30 ARG H . . 3.870 2.809 2.641 2.948 . 0 0 "[ . 1 . 2]" 1
619 1 29 ALA H 1 31 ILE H . . 4.850 4.231 4.105 4.442 . 0 0 "[ . 1 . 2]" 1
620 1 29 ALA H 1 32 ILE H . . 5.500 4.670 4.517 4.757 . 0 0 "[ . 1 . 2]" 1
621 1 29 ALA H 1 32 ILE MD . . 5.500 3.409 2.916 3.728 . 0 0 "[ . 1 . 2]" 1
622 1 29 ALA HA 1 31 ILE H . . 5.100 4.071 3.820 4.526 . 0 0 "[ . 1 . 2]" 1
623 1 29 ALA HA 1 32 ILE H . . 3.920 3.274 3.080 3.489 . 0 0 "[ . 1 . 2]" 1
624 1 29 ALA HA 1 32 ILE HB . . 3.640 2.266 2.151 2.343 . 0 0 "[ . 1 . 2]" 1
625 1 29 ALA HA 1 32 ILE MD . . 3.740 2.306 1.894 2.722 . 0 0 "[ . 1 . 2]" 1
626 1 29 ALA HA 1 32 ILE HG12 . . 5.030 4.493 4.115 4.690 . 0 0 "[ . 1 . 2]" 1
627 1 29 ALA HA 1 32 ILE HG13 . . 4.400 3.514 3.192 3.750 . 0 0 "[ . 1 . 2]" 1
628 1 29 ALA HA 1 32 ILE MG . . 3.750 3.690 3.605 3.747 . 0 0 "[ . 1 . 2]" 1
629 1 29 ALA HA 1 33 GLY H . . 4.790 3.637 3.379 3.984 . 0 0 "[ . 1 . 2]" 1
630 1 29 ALA MB 1 30 ARG H . . 3.280 2.553 2.333 2.902 . 0 0 "[ . 1 . 2]" 1
631 1 29 ALA MB 1 32 ILE H . . 4.720 4.550 4.331 4.694 . 0 0 "[ . 1 . 2]" 1
632 1 29 ALA MB 1 32 ILE HB . . 4.850 3.749 3.679 3.849 . 0 0 "[ . 1 . 2]" 1
633 1 29 ALA MB 1 32 ILE MD . . 4.360 3.369 2.958 3.739 . 0 0 "[ . 1 . 2]" 1
634 1 29 ALA MB 1 32 ILE MG . . 4.440 4.407 4.330 4.443 0.003 20 0 "[ . 1 . 2]" 1
635 1 30 ARG H 1 30 ARG HB2 . . 3.860 2.369 2.212 2.659 . 0 0 "[ . 1 . 2]" 1
636 1 30 ARG H 1 30 ARG QB . . 3.290 2.334 2.190 2.592 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG H 1 30 ARG HB3 . . 3.860 3.558 3.510 3.602 . 0 0 "[ . 1 . 2]" 1
638 1 30 ARG H 1 30 ARG HG2 . . 4.520 3.170 1.904 4.068 . 0 0 "[ . 1 . 2]" 1
639 1 30 ARG H 1 30 ARG QG . . 3.720 2.793 1.894 3.488 . 0 0 "[ . 1 . 2]" 1
640 1 30 ARG H 1 30 ARG HG3 . . 4.520 3.506 2.130 4.048 . 0 0 "[ . 1 . 2]" 1
641 1 30 ARG H 1 31 ILE HB . . 5.170 5.058 4.715 5.165 . 0 0 "[ . 1 . 2]" 1
642 1 30 ARG H 1 32 ILE H . . 4.710 4.353 3.909 4.534 . 0 0 "[ . 1 . 2]" 1
643 1 30 ARG HA 1 30 ARG HD2 . . 5.170 3.169 2.105 4.849 . 0 0 "[ . 1 . 2]" 1
644 1 30 ARG HA 1 30 ARG QD . . 4.360 2.651 1.986 4.175 . 0 0 "[ . 1 . 2]" 1
645 1 30 ARG HA 1 30 ARG HD3 . . 5.170 3.403 2.004 4.556 . 0 0 "[ . 1 . 2]" 1
646 1 30 ARG HA 1 30 ARG HG2 . . 3.940 3.111 2.479 3.643 . 0 0 "[ . 1 . 2]" 1
647 1 30 ARG HA 1 30 ARG QG . . 3.360 2.492 2.227 2.928 . 0 0 "[ . 1 . 2]" 1
648 1 30 ARG HA 1 30 ARG HG3 . . 3.940 3.031 2.250 3.812 . 0 0 "[ . 1 . 2]" 1
649 1 30 ARG HA 1 86 TYR QD . . 5.500 5.040 4.411 5.489 . 0 0 "[ . 1 . 2]" 1
650 1 30 ARG QB 1 30 ARG QD . . 3.280 2.291 2.086 2.549 . 0 0 "[ . 1 . 2]" 1
651 1 30 ARG QB 1 31 ILE H . . 3.450 2.717 2.458 2.856 . 0 0 "[ . 1 . 2]" 1
652 1 30 ARG QB 1 86 TYR QB . . 4.760 3.125 2.516 3.622 . 0 0 "[ . 1 . 2]" 1
653 1 30 ARG QB 1 86 TYR QE . . 5.000 2.961 2.173 3.258 . 0 0 "[ . 1 . 2]" 1
654 1 30 ARG HB2 1 31 ILE H . . 4.000 2.835 2.508 3.024 . 0 0 "[ . 1 . 2]" 1
655 1 30 ARG HB2 1 86 TYR QD . . 4.720 3.444 2.013 4.077 . 0 0 "[ . 1 . 2]" 1
656 1 30 ARG HB3 1 31 ILE H . . 4.000 3.532 3.218 3.912 . 0 0 "[ . 1 . 2]" 1
657 1 30 ARG HB3 1 86 TYR QD . . 4.720 2.997 2.127 3.432 . 0 0 "[ . 1 . 2]" 1
658 1 31 ILE H 1 31 ILE HB . . 3.160 2.438 2.340 2.531 . 0 0 "[ . 1 . 2]" 1
659 1 31 ILE H 1 31 ILE MD . . 3.820 3.544 3.236 3.693 . 0 0 "[ . 1 . 2]" 1
660 1 31 ILE H 1 31 ILE HG12 . . 3.970 3.842 3.685 3.970 . 0 0 "[ . 1 . 2]" 1
661 1 31 ILE H 1 31 ILE QG . . 3.270 2.480 2.239 2.633 . 0 0 "[ . 1 . 2]" 1
662 1 31 ILE H 1 31 ILE HG13 . . 3.970 2.512 2.257 2.674 . 0 0 "[ . 1 . 2]" 1
663 1 31 ILE H 1 31 ILE MG . . 3.910 3.754 3.707 3.796 . 0 0 "[ . 1 . 2]" 1
664 1 31 ILE H 1 32 ILE H . . 3.410 2.442 2.291 2.637 . 0 0 "[ . 1 . 2]" 1
665 1 31 ILE H 1 32 ILE HB . . 4.770 4.488 4.353 4.694 . 0 0 "[ . 1 . 2]" 1
666 1 31 ILE H 1 86 TYR QD . . 5.060 4.727 3.979 5.026 . 0 0 "[ . 1 . 2]" 1
667 1 31 ILE H 1 86 TYR QE . . 4.470 4.240 3.262 4.462 . 0 0 "[ . 1 . 2]" 1
668 1 31 ILE HA 1 31 ILE MD . . 4.010 3.845 3.795 3.890 . 0 0 "[ . 1 . 2]" 1
669 1 31 ILE HA 1 31 ILE HG12 . . 3.820 2.619 2.486 2.768 . 0 0 "[ . 1 . 2]" 1
670 1 31 ILE HA 1 31 ILE QG . . 3.240 2.396 2.316 2.469 . 0 0 "[ . 1 . 2]" 1
671 1 31 ILE HA 1 31 ILE HG13 . . 3.820 2.786 2.651 2.996 . 0 0 "[ . 1 . 2]" 1
672 1 31 ILE HA 1 31 ILE MG . . 3.260 2.439 2.367 2.493 . 0 0 "[ . 1 . 2]" 1
673 1 31 ILE HA 1 33 GLY H . . 4.530 4.418 4.093 4.527 . 0 0 "[ . 1 . 2]" 1
674 1 31 ILE HA 1 38 ALA MB . . 4.200 3.391 3.011 3.762 . 0 0 "[ . 1 . 2]" 1
675 1 31 ILE HA 1 82 LEU MD1 . . 4.070 3.792 3.412 4.064 . 0 0 "[ . 1 . 2]" 1
676 1 31 ILE HA 1 86 TYR QD . . 5.500 4.792 4.481 5.075 . 0 0 "[ . 1 . 2]" 1
677 1 31 ILE HA 1 86 TYR QE . . 3.430 2.992 2.589 3.270 . 0 0 "[ . 1 . 2]" 1
678 1 31 ILE HB 1 31 ILE MD . . 3.420 2.333 2.142 2.410 . 0 0 "[ . 1 . 2]" 1
679 1 31 ILE HB 1 32 ILE H . . 3.620 2.510 2.365 2.760 . 0 0 "[ . 1 . 2]" 1
680 1 31 ILE HB 1 32 ILE HA . . 5.150 4.260 4.145 4.405 . 0 0 "[ . 1 . 2]" 1
681 1 31 ILE HB 1 32 ILE HG12 . . 5.500 4.996 4.631 5.427 . 0 0 "[ . 1 . 2]" 1
682 1 31 ILE HB 1 32 ILE HG13 . . 4.150 3.473 3.245 3.866 . 0 0 "[ . 1 . 2]" 1
683 1 31 ILE HB 1 52 PHE QE . . 4.940 3.749 3.503 4.030 . 0 0 "[ . 1 . 2]" 1
684 1 31 ILE HB 1 52 PHE HZ . . 4.590 3.025 2.728 3.425 . 0 0 "[ . 1 . 2]" 1
685 1 31 ILE HB 1 86 TYR QE . . 5.500 4.723 4.459 4.981 . 0 0 "[ . 1 . 2]" 1
686 1 31 ILE MD 1 52 PHE QE . . 4.720 3.669 3.363 4.254 . 0 0 "[ . 1 . 2]" 1
687 1 31 ILE MD 1 52 PHE HZ . . 4.930 3.587 3.340 4.071 . 0 0 "[ . 1 . 2]" 1
688 1 31 ILE MD 1 82 LEU H . . 4.890 4.582 4.259 4.863 . 0 0 "[ . 1 . 2]" 1
689 1 31 ILE MD 1 82 LEU HB2 . . 3.800 2.834 2.447 3.327 . 0 0 "[ . 1 . 2]" 1
690 1 31 ILE MD 1 83 GLU H . . 3.800 3.508 3.139 3.799 . 0 0 "[ . 1 . 2]" 1
691 1 31 ILE MD 1 83 GLU HA . . 3.930 3.271 2.855 3.505 . 0 0 "[ . 1 . 2]" 1
692 1 31 ILE MD 1 83 GLU QB . . 4.710 3.386 3.015 3.783 . 0 0 "[ . 1 . 2]" 1
693 1 31 ILE MD 1 86 TYR QD . . 3.940 3.402 3.018 3.930 . 0 0 "[ . 1 . 2]" 1
694 1 31 ILE MD 1 86 TYR QE . . 4.580 3.623 3.202 4.097 . 0 0 "[ . 1 . 2]" 1
695 1 31 ILE QG 1 32 ILE H . . 4.900 4.073 3.919 4.229 . 0 0 "[ . 1 . 2]" 1
696 1 31 ILE QG 1 86 TYR QE . . 3.220 2.233 1.985 2.638 . 0 0 "[ . 1 . 2]" 1
697 1 31 ILE HG12 1 31 ILE MG . . 3.590 2.219 2.076 2.363 . 0 0 "[ . 1 . 2]" 1
698 1 31 ILE HG12 1 86 TYR QD . . 4.070 3.587 3.124 4.056 . 0 0 "[ . 1 . 2]" 1
699 1 31 ILE HG12 1 86 TYR QE . . 3.740 2.432 2.079 3.110 . 0 0 "[ . 1 . 2]" 1
700 1 31 ILE HG13 1 31 ILE MG . . 3.590 3.175 3.147 3.195 . 0 0 "[ . 1 . 2]" 1
701 1 31 ILE HG13 1 86 TYR QD . . 4.070 3.005 2.792 3.306 . 0 0 "[ . 1 . 2]" 1
702 1 31 ILE HG13 1 86 TYR QE . . 3.740 2.677 2.395 3.106 . 0 0 "[ . 1 . 2]" 1
703 1 31 ILE MG 1 32 ILE H . . 3.540 3.257 2.956 3.539 . 0 0 "[ . 1 . 2]" 1
704 1 31 ILE MG 1 32 ILE HA . . 4.390 3.384 3.094 3.577 . 0 0 "[ . 1 . 2]" 1
705 1 31 ILE MG 1 39 ILE HA . . 4.340 3.218 2.927 3.447 . 0 0 "[ . 1 . 2]" 1
706 1 31 ILE MG 1 39 ILE HB . . 4.210 3.123 2.799 3.415 . 0 0 "[ . 1 . 2]" 1
707 1 31 ILE MG 1 52 PHE QE . . 4.050 3.506 3.156 3.762 . 0 0 "[ . 1 . 2]" 1
708 1 31 ILE MG 1 52 PHE HZ . . 3.390 2.456 2.112 2.716 . 0 0 "[ . 1 . 2]" 1
709 1 31 ILE MG 1 86 TYR QE . . 4.470 3.956 3.600 4.244 . 0 0 "[ . 1 . 2]" 1
710 1 32 ILE H 1 32 ILE HB . . 3.350 2.532 2.383 2.633 . 0 0 "[ . 1 . 2]" 1
711 1 32 ILE H 1 32 ILE MD . . 3.880 3.326 3.121 3.472 . 0 0 "[ . 1 . 2]" 1
712 1 32 ILE H 1 32 ILE HG12 . . 3.950 3.571 3.356 3.835 . 0 0 "[ . 1 . 2]" 1
713 1 32 ILE H 1 32 ILE HG13 . . 3.470 2.134 1.940 2.447 . 0 0 "[ . 1 . 2]" 1
714 1 32 ILE H 1 32 ILE MG . . 3.960 3.764 3.729 3.776 . 0 0 "[ . 1 . 2]" 1
715 1 32 ILE H 1 33 GLY H . . 3.430 2.905 2.545 3.047 . 0 0 "[ . 1 . 2]" 1
716 1 32 ILE H 1 39 ILE HB . . 4.400 4.348 4.249 4.402 0.002 10 0 "[ . 1 . 2]" 1
717 1 32 ILE H 1 52 PHE QE . . 5.460 4.304 4.051 4.543 . 0 0 "[ . 1 . 2]" 1
718 1 32 ILE H 1 52 PHE HZ . . 5.500 3.922 3.516 4.273 . 0 0 "[ . 1 . 2]" 1
719 1 32 ILE HA 1 32 ILE MD . . 4.460 3.845 3.808 3.885 . 0 0 "[ . 1 . 2]" 1
720 1 32 ILE HA 1 32 ILE HG12 . . 4.170 2.658 2.556 2.809 . 0 0 "[ . 1 . 2]" 1
721 1 32 ILE HA 1 32 ILE HG13 . . 3.730 2.725 2.609 2.862 . 0 0 "[ . 1 . 2]" 1
722 1 32 ILE HA 1 32 ILE MG . . 3.630 2.450 2.356 2.509 . 0 0 "[ . 1 . 2]" 1
723 1 32 ILE HA 1 38 ALA MB . . 4.720 4.027 2.881 4.284 . 0 0 "[ . 1 . 2]" 1
724 1 32 ILE HA 1 39 ILE H . . 3.810 3.656 2.992 3.792 . 0 0 "[ . 1 . 2]" 1
725 1 32 ILE HA 1 39 ILE HA . . 4.660 4.325 3.877 4.468 . 0 0 "[ . 1 . 2]" 1
726 1 32 ILE HA 1 39 ILE HB . . 3.360 2.048 2.002 2.126 . 0 0 "[ . 1 . 2]" 1
727 1 32 ILE HA 1 39 ILE MD . . 4.100 3.416 3.037 3.881 . 0 0 "[ . 1 . 2]" 1
728 1 32 ILE HA 1 39 ILE QG . . 4.120 3.694 3.397 4.123 0.003 20 0 "[ . 1 . 2]" 1
729 1 32 ILE HA 1 39 ILE MG . . 3.530 2.777 2.563 2.909 . 0 0 "[ . 1 . 2]" 1
730 1 32 ILE HA 1 52 PHE QE . . 5.370 3.565 3.205 3.919 . 0 0 "[ . 1 . 2]" 1
731 1 32 ILE HA 1 52 PHE HZ . . 5.500 4.032 3.419 4.593 . 0 0 "[ . 1 . 2]" 1
732 1 32 ILE HB 1 32 ILE MD . . 3.510 2.275 2.139 2.389 . 0 0 "[ . 1 . 2]" 1
733 1 32 ILE HB 1 33 GLY H . . 3.610 2.522 2.394 2.935 . 0 0 "[ . 1 . 2]" 1
734 1 32 ILE HB 1 33 GLY HA2 . . 5.500 4.724 4.607 4.855 . 0 0 "[ . 1 . 2]" 1
735 1 32 ILE HB 1 33 GLY HA3 . . 5.500 4.833 4.701 5.095 . 0 0 "[ . 1 . 2]" 1
736 1 32 ILE MD 1 32 ILE MG . . 3.110 2.209 1.952 2.484 . 0 0 "[ . 1 . 2]" 1
737 1 32 ILE MD 1 33 GLY H . . 4.890 4.378 4.157 4.736 . 0 0 "[ . 1 . 2]" 1
738 1 32 ILE MD 1 39 ILE MD . . 5.460 5.103 4.390 5.420 . 0 0 "[ . 1 . 2]" 1
739 1 32 ILE MD 1 39 ILE MG . . 5.100 4.769 3.794 4.980 . 0 0 "[ . 1 . 2]" 1
740 1 32 ILE MD 1 52 PHE HB2 . . 5.000 3.498 2.847 3.758 . 0 0 "[ . 1 . 2]" 1
741 1 32 ILE MD 1 52 PHE HB3 . . 4.870 3.432 3.200 3.666 . 0 0 "[ . 1 . 2]" 1
742 1 32 ILE MD 1 52 PHE QD . . 4.200 3.154 2.291 3.393 . 0 0 "[ . 1 . 2]" 1
743 1 32 ILE MD 1 52 PHE QE . . 4.340 3.480 3.028 3.695 . 0 0 "[ . 1 . 2]" 1
744 1 32 ILE MD 1 52 PHE HZ . . 4.740 4.164 3.865 4.448 . 0 0 "[ . 1 . 2]" 1
745 1 32 ILE HG12 1 32 ILE MG . . 3.550 2.223 2.038 2.345 . 0 0 "[ . 1 . 2]" 1
746 1 32 ILE HG12 1 33 GLY H . . 5.160 5.036 4.960 5.164 0.004 20 0 "[ . 1 . 2]" 1
747 1 32 ILE HG12 1 39 ILE HB . . 4.880 4.007 2.746 4.267 . 0 0 "[ . 1 . 2]" 1
748 1 32 ILE HG12 1 39 ILE MG . . 3.990 3.738 2.710 3.988 . 0 0 "[ . 1 . 2]" 1
749 1 32 ILE HG12 1 52 PHE HB2 . . 5.500 4.370 4.172 4.634 . 0 0 "[ . 1 . 2]" 1
750 1 32 ILE HG12 1 52 PHE HB3 . . 5.500 4.910 4.671 5.343 . 0 0 "[ . 1 . 2]" 1
751 1 32 ILE HG12 1 52 PHE QD . . 4.790 3.240 2.838 3.592 . 0 0 "[ . 1 . 2]" 1
752 1 32 ILE HG12 1 52 PHE QE . . 4.160 2.884 2.030 3.495 . 0 0 "[ . 1 . 2]" 1
753 1 32 ILE HG12 1 52 PHE HZ . . 4.510 3.725 3.215 4.027 . 0 0 "[ . 1 . 2]" 1
754 1 32 ILE HG13 1 33 GLY H . . 4.660 4.349 4.206 4.491 . 0 0 "[ . 1 . 2]" 1
755 1 32 ILE HG13 1 39 ILE HB . . 5.450 4.303 3.583 4.567 . 0 0 "[ . 1 . 2]" 1
756 1 32 ILE HG13 1 52 PHE HB2 . . 5.500 5.386 5.275 5.499 . 0 0 "[ . 1 . 2]" 1
757 1 32 ILE HG13 1 52 PHE HB3 . . 5.500 5.403 5.303 5.502 0.002 20 0 "[ . 1 . 2]" 1
758 1 32 ILE HG13 1 52 PHE QD . . 5.110 4.001 3.798 4.137 . 0 0 "[ . 1 . 2]" 1
759 1 32 ILE HG13 1 52 PHE QE . . 4.180 3.139 2.814 3.401 . 0 0 "[ . 1 . 2]" 1
760 1 32 ILE HG13 1 52 PHE HZ . . 4.370 3.053 2.663 3.355 . 0 0 "[ . 1 . 2]" 1
761 1 32 ILE MG 1 33 GLY H . . 3.880 3.209 2.922 3.689 . 0 0 "[ . 1 . 2]" 1
762 1 32 ILE MG 1 36 GLY H . . 3.970 3.556 3.214 3.927 . 0 0 "[ . 1 . 2]" 1
763 1 32 ILE MG 1 36 GLY HA2 . . 3.480 2.371 2.100 2.558 . 0 0 "[ . 1 . 2]" 1
764 1 32 ILE MG 1 36 GLY QA . . 3.040 2.327 2.084 2.496 . 0 0 "[ . 1 . 2]" 1
765 1 32 ILE MG 1 36 GLY HA3 . . 3.480 3.416 3.254 3.487 0.007 20 0 "[ . 1 . 2]" 1
766 1 32 ILE MG 1 38 ALA H . . 5.500 5.192 4.363 5.452 . 0 0 "[ . 1 . 2]" 1
767 1 32 ILE MG 1 39 ILE HB . . 4.830 3.670 3.318 3.951 . 0 0 "[ . 1 . 2]" 1
768 1 32 ILE MG 1 39 ILE MG . . 3.250 2.724 2.294 3.067 . 0 0 "[ . 1 . 2]" 1
769 1 32 ILE MG 1 52 PHE QE . . 4.530 4.135 3.796 4.485 . 0 0 "[ . 1 . 2]" 1
770 1 33 GLY H 1 38 ALA MB . . 4.040 3.597 3.213 3.899 . 0 0 "[ . 1 . 2]" 1
771 1 33 GLY QA 1 38 ALA H . . 3.780 2.749 2.046 3.783 0.003 20 0 "[ . 1 . 2]" 1
772 1 33 GLY QA 1 38 ALA MB . . 3.290 2.173 1.956 2.451 . 0 0 "[ . 1 . 2]" 1
773 1 33 GLY HA2 1 38 ALA MB . . 3.780 2.963 2.449 3.686 . 0 0 "[ . 1 . 2]" 1
774 1 33 GLY HA3 1 38 ALA MB . . 3.780 2.245 2.034 2.547 . 0 0 "[ . 1 . 2]" 1
775 1 34 ALA HA 1 36 GLY H . . 4.520 4.194 3.901 4.459 . 0 0 "[ . 1 . 2]" 1
776 1 35 ARG HB2 1 35 ARG QD . . 3.640 2.640 2.109 3.542 . 0 0 "[ . 1 . 2]" 1
777 1 35 ARG HB3 1 35 ARG QD . . 3.640 2.843 2.113 3.556 . 0 0 "[ . 1 . 2]" 1
778 1 36 GLY H 1 39 ILE MG . . 5.140 4.554 4.132 4.903 . 0 0 "[ . 1 . 2]" 1
779 1 36 GLY QA 1 38 ALA H . . 4.690 3.985 3.617 4.400 . 0 0 "[ . 1 . 2]" 1
780 1 36 GLY QA 1 39 ILE MG . . 3.590 2.581 2.178 3.059 . 0 0 "[ . 1 . 2]" 1
781 1 36 GLY HA2 1 39 ILE MG . . 4.100 2.695 2.238 3.221 . 0 0 "[ . 1 . 2]" 1
782 1 36 GLY HA3 1 39 ILE MG . . 4.100 3.319 2.982 3.852 . 0 0 "[ . 1 . 2]" 1
783 1 37 LYS H 1 37 LYS QB . . 3.690 2.324 2.212 2.538 . 0 0 "[ . 1 . 2]" 1
784 1 37 LYS H 1 37 LYS HG2 . . 4.730 3.972 2.320 4.706 . 0 0 "[ . 1 . 2]" 1
785 1 37 LYS H 1 37 LYS QG . . 4.150 3.503 2.300 4.087 . 0 0 "[ . 1 . 2]" 1
786 1 37 LYS H 1 37 LYS HG3 . . 4.730 4.076 2.610 4.704 . 0 0 "[ . 1 . 2]" 1
787 1 37 LYS H 1 38 ALA HA . . 5.180 4.975 4.840 5.110 . 0 0 "[ . 1 . 2]" 1
788 1 37 LYS H 1 38 ALA MB . . 4.290 3.924 3.807 4.097 . 0 0 "[ . 1 . 2]" 1
789 1 37 LYS HA 1 37 LYS QD . . 4.350 3.433 2.194 4.332 . 0 0 "[ . 1 . 2]" 1
790 1 37 LYS HA 1 37 LYS HG2 . . 4.050 3.192 2.324 3.883 . 0 0 "[ . 1 . 2]" 1
791 1 37 LYS HA 1 37 LYS QG . . 3.300 2.574 2.190 3.321 0.021 10 0 "[ . 1 . 2]" 1
792 1 37 LYS HA 1 37 LYS HG3 . . 4.050 2.943 2.213 3.818 . 0 0 "[ . 1 . 2]" 1
793 1 37 LYS HA 1 39 ILE MG . . 4.700 3.869 3.651 4.064 . 0 0 "[ . 1 . 2]" 1
794 1 37 LYS HA 1 40 ARG H . . 4.630 3.043 2.859 3.364 . 0 0 "[ . 1 . 2]" 1
795 1 37 LYS HA 1 40 ARG QB . . 3.540 2.267 2.039 2.528 . 0 0 "[ . 1 . 2]" 1
796 1 37 LYS HA 1 40 ARG QG . . 4.320 3.801 3.624 3.966 . 0 0 "[ . 1 . 2]" 1
797 1 37 LYS HA 1 41 LYS H . . 5.090 4.228 3.966 4.908 . 0 0 "[ . 1 . 2]" 1
798 1 37 LYS QB 1 37 LYS QD . . 3.280 2.198 2.044 2.429 . 0 0 "[ . 1 . 2]" 1
799 1 37 LYS QB 1 37 LYS QE . . 3.940 2.940 2.025 3.716 . 0 0 "[ . 1 . 2]" 1
800 1 37 LYS QB 1 38 ALA H . . 3.760 2.640 2.181 3.527 . 0 0 "[ . 1 . 2]" 1
801 1 37 LYS HB2 1 37 LYS QD . . 3.770 2.581 2.119 3.441 . 0 0 "[ . 1 . 2]" 1
802 1 37 LYS HB2 1 37 LYS QE . . 4.650 3.470 2.052 4.309 . 0 0 "[ . 1 . 2]" 1
803 1 37 LYS HB2 1 38 ALA H . . 4.410 3.470 2.413 4.104 . 0 0 "[ . 1 . 2]" 1
804 1 37 LYS HB3 1 37 LYS QD . . 3.770 2.682 2.089 3.446 . 0 0 "[ . 1 . 2]" 1
805 1 37 LYS HB3 1 37 LYS QE . . 4.650 3.419 2.234 4.394 . 0 0 "[ . 1 . 2]" 1
806 1 37 LYS HB3 1 38 ALA H . . 4.410 2.943 2.202 3.854 . 0 0 "[ . 1 . 2]" 1
807 1 37 LYS QE 1 37 LYS HG2 . . 3.680 2.653 2.184 3.355 . 0 0 "[ . 1 . 2]" 1
808 1 37 LYS QE 1 37 LYS QG . . 3.180 2.241 2.117 2.456 . 0 0 "[ . 1 . 2]" 1
809 1 37 LYS QE 1 37 LYS HG3 . . 3.680 2.734 2.144 3.462 . 0 0 "[ . 1 . 2]" 1
810 1 38 ALA H 1 38 ALA MB . . 3.200 2.157 2.033 2.237 . 0 0 "[ . 1 . 2]" 1
811 1 38 ALA H 1 39 ILE H . . 3.590 2.824 2.598 3.166 . 0 0 "[ . 1 . 2]" 1
812 1 38 ALA H 1 39 ILE MG . . 4.720 4.033 3.749 4.269 . 0 0 "[ . 1 . 2]" 1
813 1 38 ALA HA 1 41 LYS H . . 4.170 4.006 3.646 4.168 . 0 0 "[ . 1 . 2]" 1
814 1 38 ALA HA 1 41 LYS QD . . 4.750 3.484 2.427 4.705 . 0 0 "[ . 1 . 2]" 1
815 1 38 ALA MB 1 39 ILE H . . 3.540 2.721 2.329 2.890 . 0 0 "[ . 1 . 2]" 1
816 1 39 ILE H 1 39 ILE HB . . 3.490 2.668 2.472 2.811 . 0 0 "[ . 1 . 2]" 1
817 1 39 ILE H 1 39 ILE MD . . 4.260 4.162 4.008 4.257 . 0 0 "[ . 1 . 2]" 1
818 1 39 ILE H 1 39 ILE QG . . 4.200 4.068 4.000 4.109 . 0 0 "[ . 1 . 2]" 1
819 1 39 ILE H 1 39 ILE MG . . 3.380 1.996 1.864 2.198 . 0 0 "[ . 1 . 2]" 1
820 1 39 ILE H 1 40 ARG H . . 3.860 2.355 2.211 2.734 . 0 0 "[ . 1 . 2]" 1
821 1 39 ILE H 1 40 ARG QB . . 4.530 4.094 3.974 4.440 . 0 0 "[ . 1 . 2]" 1
822 1 39 ILE H 1 41 LYS H . . 4.790 4.301 4.082 4.523 . 0 0 "[ . 1 . 2]" 1
823 1 39 ILE HA 1 39 ILE MD . . 3.350 2.221 1.998 2.470 . 0 0 "[ . 1 . 2]" 1
824 1 39 ILE HA 1 42 ILE H . . 3.900 3.448 3.155 3.626 . 0 0 "[ . 1 . 2]" 1
825 1 39 ILE HA 1 42 ILE HB . . 4.030 2.985 2.681 3.693 . 0 0 "[ . 1 . 2]" 1
826 1 39 ILE HA 1 42 ILE MD . . 3.630 2.434 2.113 2.744 . 0 0 "[ . 1 . 2]" 1
827 1 39 ILE HA 1 42 ILE QG . . 4.530 3.320 2.754 3.914 . 0 0 "[ . 1 . 2]" 1
828 1 39 ILE HB 1 39 ILE MD . . 3.600 2.272 2.138 2.430 . 0 0 "[ . 1 . 2]" 1
829 1 39 ILE HB 1 40 ARG H . . 5.060 4.053 3.933 4.122 . 0 0 "[ . 1 . 2]" 1
830 1 39 ILE HB 1 52 PHE QE . . 5.500 3.385 2.558 3.782 . 0 0 "[ . 1 . 2]" 1
831 1 39 ILE MD 1 39 ILE MG . . 3.300 3.228 3.156 3.253 . 0 0 "[ . 1 . 2]" 1
832 1 39 ILE MD 1 42 ILE H . . 4.590 4.345 4.017 4.565 . 0 0 "[ . 1 . 2]" 1
833 1 39 ILE MD 1 42 ILE HB . . 3.620 2.662 2.362 2.973 . 0 0 "[ . 1 . 2]" 1
834 1 39 ILE MD 1 43 MET HG3 . . 4.720 3.420 2.830 3.862 . 0 0 "[ . 1 . 2]" 1
835 1 39 ILE MD 1 50 ILE H . . 4.970 4.541 4.058 4.921 . 0 0 "[ . 1 . 2]" 1
836 1 39 ILE MD 1 50 ILE HB . . 4.050 2.577 2.069 3.121 . 0 0 "[ . 1 . 2]" 1
837 1 39 ILE MD 1 50 ILE MD . . 3.190 1.802 1.701 1.934 . 0 0 "[ . 1 . 2]" 1
838 1 39 ILE MD 1 50 ILE MG . . 3.470 2.417 2.069 2.845 . 0 0 "[ . 1 . 2]" 1
839 1 39 ILE MD 1 52 PHE QE . . 3.470 2.332 1.934 3.131 . 0 0 "[ . 1 . 2]" 1
840 1 39 ILE MD 1 52 PHE HZ . . 3.880 2.670 2.033 3.259 . 0 0 "[ . 1 . 2]" 1
841 1 39 ILE MD 1 63 VAL MG1 . . 5.500 4.904 4.658 5.212 . 0 0 "[ . 1 . 2]" 1
842 1 39 ILE QG 1 39 ILE MG . . 3.110 2.108 2.067 2.121 . 0 0 "[ . 1 . 2]" 1
843 1 39 ILE QG 1 40 ARG H . . 5.130 3.963 3.665 4.274 . 0 0 "[ . 1 . 2]" 1
844 1 39 ILE QG 1 40 ARG HA . . 5.070 3.879 3.492 4.193 . 0 0 "[ . 1 . 2]" 1
845 1 39 ILE QG 1 42 ILE HB . . 5.080 3.639 3.033 4.059 . 0 0 "[ . 1 . 2]" 1
846 1 39 ILE QG 1 43 MET ME . . 3.140 2.125 1.860 2.433 . 0 0 "[ . 1 . 2]" 1
847 1 39 ILE QG 1 43 MET HG2 . . 4.910 4.023 3.708 4.469 . 0 0 "[ . 1 . 2]" 1
848 1 39 ILE QG 1 43 MET HG3 . . 4.470 2.567 2.164 2.979 . 0 0 "[ . 1 . 2]" 1
849 1 39 ILE QG 1 50 ILE MD . . 4.280 2.670 2.094 3.383 . 0 0 "[ . 1 . 2]" 1
850 1 39 ILE QG 1 50 ILE MG . . 4.620 3.378 3.005 3.558 . 0 0 "[ . 1 . 2]" 1
851 1 39 ILE QG 1 52 PHE QE . . 3.810 2.244 1.991 2.826 . 0 0 "[ . 1 . 2]" 1
852 1 39 ILE QG 1 52 PHE HZ . . 4.980 4.017 3.189 4.812 . 0 0 "[ . 1 . 2]" 1
853 1 39 ILE MG 1 40 ARG H . . 3.640 2.255 2.065 2.454 . 0 0 "[ . 1 . 2]" 1
854 1 39 ILE MG 1 40 ARG HA . . 4.350 3.235 3.093 3.427 . 0 0 "[ . 1 . 2]" 1
855 1 39 ILE MG 1 40 ARG QB . . 4.010 3.202 3.114 3.286 . 0 0 "[ . 1 . 2]" 1
856 1 39 ILE MG 1 40 ARG QG . . 5.050 4.721 4.052 4.877 . 0 0 "[ . 1 . 2]" 1
857 1 39 ILE MG 1 41 LYS H . . 4.630 4.518 4.214 4.629 . 0 0 "[ . 1 . 2]" 1
858 1 39 ILE MG 1 43 MET H . . 5.500 4.888 4.608 5.170 . 0 0 "[ . 1 . 2]" 1
859 1 39 ILE MG 1 43 MET ME . . 3.060 2.323 1.848 2.895 . 0 0 "[ . 1 . 2]" 1
860 1 39 ILE MG 1 52 PHE QD . . 5.500 4.506 3.758 4.788 . 0 0 "[ . 1 . 2]" 1
861 1 39 ILE MG 1 52 PHE QE . . 4.870 3.561 3.089 3.904 . 0 0 "[ . 1 . 2]" 1
862 1 40 ARG H 1 40 ARG QB . . 3.340 2.215 2.147 2.254 . 0 0 "[ . 1 . 2]" 1
863 1 40 ARG H 1 40 ARG QG . . 4.140 4.034 3.830 4.061 . 0 0 "[ . 1 . 2]" 1
864 1 40 ARG H 1 41 LYS H . . 3.850 2.705 2.538 2.898 . 0 0 "[ . 1 . 2]" 1
865 1 40 ARG H 1 43 MET HB2 . . 5.500 5.172 4.673 5.406 . 0 0 "[ . 1 . 2]" 1
866 1 40 ARG HA 1 40 ARG HD2 . . 4.030 2.882 2.187 3.777 . 0 0 "[ . 1 . 2]" 1
867 1 40 ARG HA 1 40 ARG HD3 . . 4.030 2.844 2.090 4.027 . 0 0 "[ . 1 . 2]" 1
868 1 40 ARG HA 1 40 ARG QG . . 3.620 2.662 2.258 2.975 . 0 0 "[ . 1 . 2]" 1
869 1 40 ARG HA 1 42 ILE H . . 5.210 4.348 3.975 4.668 . 0 0 "[ . 1 . 2]" 1
870 1 40 ARG HA 1 43 MET H . . 4.270 3.492 3.210 3.661 . 0 0 "[ . 1 . 2]" 1
871 1 40 ARG HA 1 43 MET HB2 . . 3.600 2.718 2.272 2.958 . 0 0 "[ . 1 . 2]" 1
872 1 40 ARG HA 1 43 MET HB3 . . 4.620 4.314 3.721 4.604 . 0 0 "[ . 1 . 2]" 1
873 1 40 ARG HA 1 43 MET ME . . 3.170 2.498 2.133 2.825 . 0 0 "[ . 1 . 2]" 1
874 1 40 ARG HA 1 43 MET HG2 . . 5.300 5.142 4.778 5.300 0.000 1 0 "[ . 1 . 2]" 1
875 1 40 ARG HA 1 43 MET HG3 . . 4.490 3.738 3.439 3.964 . 0 0 "[ . 1 . 2]" 1
876 1 40 ARG HA 1 44 ASP H . . 4.190 4.105 3.712 4.179 . 0 0 "[ . 1 . 2]" 1
877 1 40 ARG QB 1 40 ARG HD2 . . 3.720 3.051 2.114 3.453 . 0 0 "[ . 1 . 2]" 1
878 1 40 ARG QB 1 40 ARG HD3 . . 3.720 2.522 2.140 3.452 . 0 0 "[ . 1 . 2]" 1
879 1 40 ARG QB 1 41 LYS H . . 3.170 2.459 2.219 2.828 . 0 0 "[ . 1 . 2]" 1
880 1 40 ARG QB 1 44 ASP H . . 5.500 5.200 4.857 5.329 . 0 0 "[ . 1 . 2]" 1
881 1 40 ARG QD 1 43 MET ME . . 3.890 2.955 2.523 3.783 . 0 0 "[ . 1 . 2]" 1
882 1 40 ARG HD2 1 43 MET ME . . 4.440 3.639 2.933 4.436 . 0 0 "[ . 1 . 2]" 1
883 1 40 ARG HD3 1 43 MET ME . . 4.440 3.450 2.562 4.399 . 0 0 "[ . 1 . 2]" 1
884 1 40 ARG QG 1 41 LYS H . . 4.410 3.813 3.405 4.218 . 0 0 "[ . 1 . 2]" 1
885 1 40 ARG QG 1 44 ASP H . . 5.030 4.180 3.871 4.714 . 0 0 "[ . 1 . 2]" 1
886 1 41 LYS H 1 41 LYS HB2 . . 3.910 3.470 2.900 3.595 . 0 0 "[ . 1 . 2]" 1
887 1 41 LYS H 1 41 LYS QB . . 3.220 2.311 2.129 2.464 . 0 0 "[ . 1 . 2]" 1
888 1 41 LYS H 1 41 LYS HB3 . . 3.910 2.349 2.187 2.510 . 0 0 "[ . 1 . 2]" 1
889 1 41 LYS H 1 41 LYS QD . . 4.600 4.047 3.735 4.539 . 0 0 "[ . 1 . 2]" 1
890 1 41 LYS H 1 41 LYS QE . . 5.400 4.575 3.683 5.400 . 0 0 "[ . 1 . 2]" 1
891 1 41 LYS H 1 41 LYS HG2 . . 4.520 2.703 2.173 4.132 . 0 0 "[ . 1 . 2]" 1
892 1 41 LYS H 1 41 LYS HG3 . . 4.640 3.692 3.305 4.566 . 0 0 "[ . 1 . 2]" 1
893 1 41 LYS H 1 43 MET H . . 5.090 4.280 4.028 4.492 . 0 0 "[ . 1 . 2]" 1
894 1 41 LYS HA 1 41 LYS QD . . 4.380 4.290 4.133 4.391 0.011 7 0 "[ . 1 . 2]" 1
895 1 41 LYS HA 1 41 LYS HG2 . . 3.920 3.765 3.402 3.916 . 0 0 "[ . 1 . 2]" 1
896 1 41 LYS HA 1 41 LYS HG3 . . 3.810 3.549 2.857 3.749 . 0 0 "[ . 1 . 2]" 1
897 1 41 LYS HA 1 44 ASP H . . 3.980 3.750 3.633 3.879 . 0 0 "[ . 1 . 2]" 1
898 1 41 LYS HA 1 44 ASP HB2 . . 3.650 2.992 2.843 3.148 . 0 0 "[ . 1 . 2]" 1
899 1 41 LYS HA 1 44 ASP HB3 . . 4.590 4.509 4.284 4.590 . 0 0 "[ . 1 . 2]" 1
900 1 41 LYS HA 1 45 GLU H . . 4.570 4.003 3.809 4.282 . 0 0 "[ . 1 . 2]" 1
901 1 41 LYS QB 1 41 LYS QD . . 3.210 2.155 2.086 2.353 . 0 0 "[ . 1 . 2]" 1
902 1 41 LYS QB 1 41 LYS QE . . 4.240 3.024 2.038 3.593 . 0 0 "[ . 1 . 2]" 1
903 1 41 LYS QB 1 42 ILE H . . 4.360 3.300 2.525 3.540 . 0 0 "[ . 1 . 2]" 1
904 1 41 LYS QB 1 42 ILE HA . . 5.340 4.462 4.316 4.576 . 0 0 "[ . 1 . 2]" 1
905 1 41 LYS HB2 1 41 LYS QD . . 3.690 2.437 2.215 2.883 . 0 0 "[ . 1 . 2]" 1
906 1 41 LYS HB2 1 41 LYS QE . . 4.850 3.433 2.066 4.107 . 0 0 "[ . 1 . 2]" 1
907 1 41 LYS HB3 1 41 LYS QD . . 3.690 2.483 2.230 3.011 . 0 0 "[ . 1 . 2]" 1
908 1 41 LYS HB3 1 41 LYS QE . . 4.850 3.546 2.086 4.210 . 0 0 "[ . 1 . 2]" 1
909 1 41 LYS QD 1 42 ILE H . . 5.430 4.133 3.869 4.362 . 0 0 "[ . 1 . 2]" 1
910 1 41 LYS QE 1 41 LYS HG2 . . 3.890 2.639 2.188 3.461 . 0 0 "[ . 1 . 2]" 1
911 1 41 LYS QE 1 41 LYS HG3 . . 3.580 2.565 2.158 3.341 . 0 0 "[ . 1 . 2]" 1
912 1 41 LYS QE 1 42 ILE H . . 5.500 4.265 3.692 5.249 . 0 0 "[ . 1 . 2]" 1
913 1 41 LYS QE 1 42 ILE QG . . 5.030 3.342 2.477 5.030 0.000 12 0 "[ . 1 . 2]" 1
914 1 41 LYS HG2 1 42 ILE H . . 4.670 2.489 2.100 2.878 . 0 0 "[ . 1 . 2]" 1
915 1 41 LYS HG2 1 42 ILE HA . . 4.730 4.223 2.961 4.715 . 0 0 "[ . 1 . 2]" 1
916 1 41 LYS HG2 1 42 ILE MD . . 4.570 4.092 3.912 4.338 . 0 0 "[ . 1 . 2]" 1
917 1 41 LYS HG2 1 42 ILE QG . . 4.070 2.746 2.493 3.186 . 0 0 "[ . 1 . 2]" 1
918 1 41 LYS HG3 1 42 ILE H . . 4.330 2.607 2.058 4.131 . 0 0 "[ . 1 . 2]" 1
919 1 41 LYS HG3 1 42 ILE HA . . 4.890 3.267 3.012 4.255 . 0 0 "[ . 1 . 2]" 1
920 1 41 LYS HG3 1 42 ILE QG . . 4.240 2.648 2.228 4.238 . 0 0 "[ . 1 . 2]" 1
921 1 41 LYS HG3 1 45 GLU H . . 5.340 5.122 4.669 5.337 . 0 0 "[ . 1 . 2]" 1
922 1 42 ILE H 1 42 ILE HB . . 3.020 2.492 2.406 2.604 . 0 0 "[ . 1 . 2]" 1
923 1 42 ILE H 1 42 ILE MD . . 3.700 3.510 3.073 3.693 . 0 0 "[ . 1 . 2]" 1
924 1 42 ILE H 1 42 ILE HG12 . . 3.620 3.514 3.161 3.620 . 0 0 "[ . 1 . 2]" 1
925 1 42 ILE H 1 42 ILE QG . . 2.970 2.183 2.013 2.331 . 0 0 "[ . 1 . 2]" 1
926 1 42 ILE H 1 42 ILE HG13 . . 3.620 2.205 2.036 2.362 . 0 0 "[ . 1 . 2]" 1
927 1 42 ILE H 1 42 ILE MG . . 3.870 3.757 3.737 3.769 . 0 0 "[ . 1 . 2]" 1
928 1 42 ILE H 1 43 MET H . . 3.580 2.669 2.527 2.809 . 0 0 "[ . 1 . 2]" 1
929 1 42 ILE H 1 43 MET ME . . 5.320 5.209 5.017 5.319 . 0 0 "[ . 1 . 2]" 1
930 1 42 ILE H 1 43 MET HG3 . . 5.130 4.924 4.735 5.097 . 0 0 "[ . 1 . 2]" 1
931 1 42 ILE H 1 44 ASP H . . 4.560 4.335 3.994 4.530 . 0 0 "[ . 1 . 2]" 1
932 1 42 ILE H 1 45 GLU H . . 4.910 4.602 4.452 4.681 . 0 0 "[ . 1 . 2]" 1
933 1 42 ILE H 1 50 ILE MD . . 5.020 4.830 4.433 4.984 . 0 0 "[ . 1 . 2]" 1
934 1 42 ILE HA 1 42 ILE MD . . 3.910 3.830 3.775 3.910 . 0 0 "[ . 1 . 2]" 1
935 1 42 ILE HA 1 42 ILE HG12 . . 3.590 2.566 2.423 2.856 . 0 0 "[ . 1 . 2]" 1
936 1 42 ILE HA 1 42 ILE QG . . 3.130 2.394 2.308 2.501 . 0 0 "[ . 1 . 2]" 1
937 1 42 ILE HA 1 42 ILE HG13 . . 3.590 2.905 2.748 3.177 . 0 0 "[ . 1 . 2]" 1
938 1 42 ILE HA 1 42 ILE MG . . 3.380 2.398 2.250 2.512 . 0 0 "[ . 1 . 2]" 1
939 1 42 ILE HA 1 44 ASP H . . 5.050 4.697 4.017 4.902 . 0 0 "[ . 1 . 2]" 1
940 1 42 ILE HA 1 45 GLU H . . 4.380 3.502 3.157 3.675 . 0 0 "[ . 1 . 2]" 1
941 1 42 ILE HA 1 45 GLU HB2 . . 4.180 2.913 2.506 3.175 . 0 0 "[ . 1 . 2]" 1
942 1 42 ILE HA 1 45 GLU QB . . 3.610 2.473 2.249 2.583 . 0 0 "[ . 1 . 2]" 1
943 1 42 ILE HA 1 45 GLU HB3 . . 4.180 2.694 2.392 2.843 . 0 0 "[ . 1 . 2]" 1
944 1 42 ILE HA 1 45 GLU HG2 . . 5.500 4.230 3.747 4.791 . 0 0 "[ . 1 . 2]" 1
945 1 42 ILE HA 1 45 GLU QG . . 4.840 3.999 3.620 4.376 . 0 0 "[ . 1 . 2]" 1
946 1 42 ILE HA 1 45 GLU HG3 . . 5.500 4.999 4.506 5.288 . 0 0 "[ . 1 . 2]" 1
947 1 42 ILE HA 1 46 PHE H . . 4.790 4.368 4.012 4.644 . 0 0 "[ . 1 . 2]" 1
948 1 42 ILE HA 1 46 PHE QD . . 3.920 3.809 3.446 3.922 0.002 17 0 "[ . 1 . 2]" 1
949 1 42 ILE HA 1 46 PHE QE . . 4.530 3.606 3.325 4.104 . 0 0 "[ . 1 . 2]" 1
950 1 42 ILE HB 1 42 ILE MD . . 3.590 2.356 2.184 2.495 . 0 0 "[ . 1 . 2]" 1
951 1 42 ILE HB 1 43 MET H . . 3.590 2.563 2.352 2.746 . 0 0 "[ . 1 . 2]" 1
952 1 42 ILE HB 1 43 MET HA . . 4.810 4.272 4.116 4.398 . 0 0 "[ . 1 . 2]" 1
953 1 42 ILE HB 1 43 MET HG2 . . 5.190 4.895 4.540 5.163 . 0 0 "[ . 1 . 2]" 1
954 1 42 ILE HB 1 43 MET HG3 . . 4.820 3.845 3.694 3.975 . 0 0 "[ . 1 . 2]" 1
955 1 42 ILE HB 1 44 ASP H . . 5.500 5.187 4.810 5.403 . 0 0 "[ . 1 . 2]" 1
956 1 42 ILE HB 1 50 ILE MD . . 4.110 2.888 2.495 3.103 . 0 0 "[ . 1 . 2]" 1
957 1 42 ILE MD 1 43 MET H . . 4.650 4.482 4.079 4.646 . 0 0 "[ . 1 . 2]" 1
958 1 42 ILE MD 1 78 HIS HD2 . . 3.680 2.606 2.281 3.191 . 0 0 "[ . 1 . 2]" 1
959 1 42 ILE MD 1 79 ILE HA . . 4.740 3.719 3.426 4.025 . 0 0 "[ . 1 . 2]" 1
960 1 42 ILE MD 1 79 ILE HG13 . . 4.450 4.257 3.943 4.409 . 0 0 "[ . 1 . 2]" 1
961 1 42 ILE QG 1 43 MET H . . 4.640 4.040 3.865 4.159 . 0 0 "[ . 1 . 2]" 1
962 1 42 ILE QG 1 78 HIS HD2 . . 4.360 3.388 2.851 3.843 . 0 0 "[ . 1 . 2]" 1
963 1 42 ILE HG12 1 43 MET H . . 5.500 4.990 4.836 5.095 . 0 0 "[ . 1 . 2]" 1
964 1 42 ILE HG12 1 78 HIS HD2 . . 5.230 3.458 2.889 3.956 . 0 0 "[ . 1 . 2]" 1
965 1 42 ILE HG13 1 43 MET H . . 5.500 4.270 4.059 4.416 . 0 0 "[ . 1 . 2]" 1
966 1 42 ILE HG13 1 78 HIS HD2 . . 5.230 4.876 4.381 5.222 . 0 0 "[ . 1 . 2]" 1
967 1 42 ILE MG 1 43 MET H . . 4.170 3.333 3.037 3.652 . 0 0 "[ . 1 . 2]" 1
968 1 42 ILE MG 1 43 MET HA . . 4.260 3.383 3.058 3.723 . 0 0 "[ . 1 . 2]" 1
969 1 42 ILE MG 1 43 MET HG2 . . 5.010 4.342 4.021 4.838 . 0 0 "[ . 1 . 2]" 1
970 1 42 ILE MG 1 46 PHE H . . 4.420 4.151 3.728 4.383 . 0 0 "[ . 1 . 2]" 1
971 1 42 ILE MG 1 46 PHE QB . . 5.180 4.284 3.792 4.639 . 0 0 "[ . 1 . 2]" 1
972 1 42 ILE MG 1 46 PHE QD . . 3.400 2.720 2.186 3.026 . 0 0 "[ . 1 . 2]" 1
973 1 42 ILE MG 1 48 VAL MG2 . . 3.670 3.264 2.830 3.556 . 0 0 "[ . 1 . 2]" 1
974 1 42 ILE MG 1 50 ILE MD . . 3.190 2.108 1.846 2.518 . 0 0 "[ . 1 . 2]" 1
975 1 42 ILE MG 1 75 ALA HA . . 4.690 3.798 3.333 3.987 . 0 0 "[ . 1 . 2]" 1
976 1 42 ILE MG 1 78 HIS HD2 . . 3.890 3.191 2.549 3.539 . 0 0 "[ . 1 . 2]" 1
977 1 42 ILE MG 1 79 ILE HG13 . . 4.270 3.452 3.154 3.827 . 0 0 "[ . 1 . 2]" 1
978 1 43 MET H 1 43 MET HB2 . . 3.720 2.273 2.193 2.394 . 0 0 "[ . 1 . 2]" 1
979 1 43 MET H 1 43 MET HB3 . . 3.790 3.538 3.498 3.576 . 0 0 "[ . 1 . 2]" 1
980 1 43 MET H 1 43 MET HG2 . . 3.980 3.647 3.343 3.803 . 0 0 "[ . 1 . 2]" 1
981 1 43 MET H 1 43 MET HG3 . . 3.680 2.688 2.466 2.917 . 0 0 "[ . 1 . 2]" 1
982 1 43 MET H 1 45 GLU H . . 4.900 3.976 3.737 4.241 . 0 0 "[ . 1 . 2]" 1
983 1 43 MET H 1 50 ILE MD . . 4.580 3.624 3.395 3.970 . 0 0 "[ . 1 . 2]" 1
984 1 43 MET HA 1 43 MET HG2 . . 3.640 2.308 2.258 2.357 . 0 0 "[ . 1 . 2]" 1
985 1 43 MET HA 1 43 MET HG3 . . 3.900 3.001 2.899 3.150 . 0 0 "[ . 1 . 2]" 1
986 1 43 MET HA 1 45 GLU H . . 4.770 4.367 4.116 4.660 . 0 0 "[ . 1 . 2]" 1
987 1 43 MET HA 1 48 VAL H . . 3.230 2.865 2.687 3.056 . 0 0 "[ . 1 . 2]" 1
988 1 43 MET HA 1 48 VAL MG2 . . 3.460 2.066 1.963 2.260 . 0 0 "[ . 1 . 2]" 1
989 1 43 MET HA 1 50 ILE H . . 4.990 4.365 4.037 4.639 . 0 0 "[ . 1 . 2]" 1
990 1 43 MET HA 1 50 ILE MD . . 4.220 3.464 3.087 3.978 . 0 0 "[ . 1 . 2]" 1
991 1 43 MET HB2 1 44 ASP H . . 3.840 2.557 2.429 2.958 . 0 0 "[ . 1 . 2]" 1
992 1 43 MET HB2 1 48 VAL H . . 5.250 5.057 4.808 5.230 . 0 0 "[ . 1 . 2]" 1
993 1 43 MET HB2 1 48 VAL MG2 . . 4.710 4.539 4.410 4.704 . 0 0 "[ . 1 . 2]" 1
994 1 43 MET HB3 1 43 MET ME . . 4.180 3.601 3.397 3.835 . 0 0 "[ . 1 . 2]" 1
995 1 43 MET HB3 1 44 ASP H . . 3.950 3.176 2.952 3.549 . 0 0 "[ . 1 . 2]" 1
996 1 43 MET HB3 1 48 VAL H . . 4.700 3.810 3.482 4.074 . 0 0 "[ . 1 . 2]" 1
997 1 43 MET HB3 1 50 ILE H . . 5.500 4.288 4.006 4.590 . 0 0 "[ . 1 . 2]" 1
998 1 43 MET ME 1 43 MET HG2 . . 3.460 3.245 3.140 3.311 . 0 0 "[ . 1 . 2]" 1
999 1 43 MET ME 1 43 MET HG3 . . 3.440 2.170 2.033 2.299 . 0 0 "[ . 1 . 2]" 1
1000 1 43 MET ME 1 49 ASP HA . . 4.150 4.092 4.020 4.149 . 0 0 "[ . 1 . 2]" 1
1001 1 43 MET ME 1 50 ILE H . . 3.620 3.328 3.123 3.533 . 0 0 "[ . 1 . 2]" 1
1002 1 43 MET ME 1 50 ILE HB . . 3.380 3.172 2.852 3.372 . 0 0 "[ . 1 . 2]" 1
1003 1 43 MET HG2 1 48 VAL MG2 . . 4.430 2.773 2.504 3.179 . 0 0 "[ . 1 . 2]" 1
1004 1 43 MET HG2 1 49 ASP HA . . 5.150 2.788 2.469 3.216 . 0 0 "[ . 1 . 2]" 1
1005 1 43 MET HG2 1 50 ILE H . . 4.650 2.187 1.912 2.504 . 0 0 "[ . 1 . 2]" 1
1006 1 43 MET HG2 1 50 ILE HB . . 4.920 3.583 3.319 3.896 . 0 0 "[ . 1 . 2]" 1
1007 1 43 MET HG2 1 50 ILE MD . . 3.900 2.991 2.433 3.617 . 0 0 "[ . 1 . 2]" 1
1008 1 43 MET HG2 1 50 ILE HG12 . . 5.260 4.211 3.945 4.456 . 0 0 "[ . 1 . 2]" 1
1009 1 43 MET HG2 1 50 ILE HG13 . . 4.670 2.481 2.218 2.745 . 0 0 "[ . 1 . 2]" 1
1010 1 43 MET HG2 1 65 VAL MG1 . . 5.500 4.825 4.555 5.159 . 0 0 "[ . 1 . 2]" 1
1011 1 43 MET HG3 1 48 VAL MG2 . . 4.230 3.996 3.767 4.226 . 0 0 "[ . 1 . 2]" 1
1012 1 43 MET HG3 1 49 ASP HA . . 5.410 4.181 3.935 4.495 . 0 0 "[ . 1 . 2]" 1
1013 1 43 MET HG3 1 50 ILE H . . 4.350 3.154 2.769 3.574 . 0 0 "[ . 1 . 2]" 1
1014 1 43 MET HG3 1 50 ILE HB . . 4.900 3.405 3.082 3.811 . 0 0 "[ . 1 . 2]" 1
1015 1 43 MET HG3 1 50 ILE MD . . 3.960 2.610 2.193 3.300 . 0 0 "[ . 1 . 2]" 1
1016 1 43 MET HG3 1 50 ILE HG12 . . 5.010 4.833 4.558 4.991 . 0 0 "[ . 1 . 2]" 1
1017 1 43 MET HG3 1 50 ILE HG13 . . 4.850 3.347 3.199 3.747 . 0 0 "[ . 1 . 2]" 1
1018 1 44 ASP H 1 44 ASP HB2 . . 3.190 2.275 2.184 2.493 . 0 0 "[ . 1 . 2]" 1
1019 1 44 ASP H 1 44 ASP HB3 . . 3.630 3.534 3.489 3.589 . 0 0 "[ . 1 . 2]" 1
1020 1 44 ASP H 1 45 GLU H . . 3.380 2.611 2.392 2.779 . 0 0 "[ . 1 . 2]" 1
1021 1 44 ASP H 1 45 GLU HB2 . . 5.110 4.892 4.575 5.096 . 0 0 "[ . 1 . 2]" 1
1022 1 44 ASP H 1 45 GLU QB . . 4.440 4.339 4.128 4.439 . 0 0 "[ . 1 . 2]" 1
1023 1 44 ASP H 1 45 GLU HB3 . . 5.110 4.860 4.582 5.026 . 0 0 "[ . 1 . 2]" 1
1024 1 44 ASP H 1 46 PHE H . . 4.700 4.609 4.292 4.700 . 0 0 "[ . 1 . 2]" 1
1025 1 44 ASP HA 1 46 PHE H . . 5.020 4.552 4.207 4.771 . 0 0 "[ . 1 . 2]" 1
1026 1 44 ASP HA 1 47 LYS H . . 4.250 3.105 2.853 3.251 . 0 0 "[ . 1 . 2]" 1
1027 1 44 ASP HA 1 47 LYS HA . . 5.030 2.721 2.511 2.838 . 0 0 "[ . 1 . 2]" 1
1028 1 44 ASP HA 1 47 LYS HD2 . . 5.200 3.870 2.868 4.709 . 0 0 "[ . 1 . 2]" 1
1029 1 44 ASP HA 1 47 LYS QD . . 4.360 2.960 2.635 3.698 . 0 0 "[ . 1 . 2]" 1
1030 1 44 ASP HA 1 47 LYS HD3 . . 5.200 3.541 2.660 5.215 0.015 17 0 "[ . 1 . 2]" 1
1031 1 44 ASP HA 1 48 VAL H . . 5.270 4.207 3.971 4.432 . 0 0 "[ . 1 . 2]" 1
1032 1 44 ASP HB2 1 45 GLU H . . 3.580 2.881 2.565 3.126 . 0 0 "[ . 1 . 2]" 1
1033 1 44 ASP HB2 1 45 GLU HA . . 5.050 4.541 4.255 4.684 . 0 0 "[ . 1 . 2]" 1
1034 1 44 ASP HB2 1 45 GLU QB . . 4.800 4.489 4.309 4.680 . 0 0 "[ . 1 . 2]" 1
1035 1 44 ASP HB2 1 47 LYS H . . 5.270 5.215 4.951 5.277 0.007 15 0 "[ . 1 . 2]" 1
1036 1 44 ASP HB3 1 45 GLU H . . 3.710 3.538 3.346 3.708 . 0 0 "[ . 1 . 2]" 1
1037 1 44 ASP HB3 1 45 GLU HA . . 4.790 4.224 4.076 4.452 . 0 0 "[ . 1 . 2]" 1
1038 1 45 GLU H 1 45 GLU HB2 . . 3.270 2.473 2.362 2.614 . 0 0 "[ . 1 . 2]" 1
1039 1 45 GLU H 1 45 GLU HB3 . . 3.270 2.587 2.443 2.723 . 0 0 "[ . 1 . 2]" 1
1040 1 45 GLU H 1 45 GLU QG . . 4.280 4.006 3.957 4.067 . 0 0 "[ . 1 . 2]" 1
1041 1 45 GLU H 1 46 PHE H . . 3.330 2.950 2.853 3.040 . 0 0 "[ . 1 . 2]" 1
1042 1 45 GLU H 1 46 PHE QD . . 4.800 4.412 4.019 4.788 . 0 0 "[ . 1 . 2]" 1
1043 1 45 GLU H 1 47 LYS H . . 4.270 3.649 3.579 3.746 . 0 0 "[ . 1 . 2]" 1
1044 1 45 GLU HA 1 45 GLU HG2 . . 4.000 3.592 3.164 3.847 . 0 0 "[ . 1 . 2]" 1
1045 1 45 GLU HA 1 45 GLU HG3 . . 4.000 2.736 2.370 3.299 . 0 0 "[ . 1 . 2]" 1
1046 1 45 GLU HA 1 47 LYS H . . 4.630 4.142 4.030 4.326 . 0 0 "[ . 1 . 2]" 1
1047 1 45 GLU QB 1 46 PHE H . . 3.300 2.285 2.160 2.450 . 0 0 "[ . 1 . 2]" 1
1048 1 45 GLU QB 1 46 PHE QD . . 4.150 2.582 2.025 2.986 . 0 0 "[ . 1 . 2]" 1
1049 1 45 GLU HB2 1 46 PHE H . . 3.820 3.715 3.589 3.813 . 0 0 "[ . 1 . 2]" 1
1050 1 45 GLU HB2 1 46 PHE QD . . 4.780 4.291 3.762 4.653 . 0 0 "[ . 1 . 2]" 1
1051 1 45 GLU HB3 1 46 PHE H . . 3.820 2.306 2.178 2.480 . 0 0 "[ . 1 . 2]" 1
1052 1 45 GLU HB3 1 46 PHE QD . . 4.780 2.603 2.033 3.023 . 0 0 "[ . 1 . 2]" 1
1053 1 45 GLU QG 1 46 PHE H . . 3.940 3.324 3.016 3.536 . 0 0 "[ . 1 . 2]" 1
1054 1 45 GLU QG 1 46 PHE QD . . 4.540 3.230 2.940 3.578 . 0 0 "[ . 1 . 2]" 1
1055 1 45 GLU QG 1 46 PHE QE . . 4.620 2.912 2.477 3.443 . 0 0 "[ . 1 . 2]" 1
1056 1 45 GLU QG 1 46 PHE HZ . . 5.340 3.409 3.104 3.814 . 0 0 "[ . 1 . 2]" 1
1057 1 45 GLU HG2 1 46 PHE H . . 4.620 3.868 3.113 4.448 . 0 0 "[ . 1 . 2]" 1
1058 1 45 GLU HG2 1 46 PHE QD . . 5.230 3.544 2.989 4.146 . 0 0 "[ . 1 . 2]" 1
1059 1 45 GLU HG2 1 46 PHE QE . . 5.370 3.014 2.548 3.519 . 0 0 "[ . 1 . 2]" 1
1060 1 45 GLU HG3 1 46 PHE H . . 4.620 3.875 3.098 4.500 . 0 0 "[ . 1 . 2]" 1
1061 1 45 GLU HG3 1 46 PHE QD . . 5.230 4.031 3.127 4.953 . 0 0 "[ . 1 . 2]" 1
1062 1 45 GLU HG3 1 46 PHE QE . . 5.370 3.954 3.246 4.883 . 0 0 "[ . 1 . 2]" 1
1063 1 46 PHE H 1 46 PHE HB2 . . 3.740 2.645 2.544 2.733 . 0 0 "[ . 1 . 2]" 1
1064 1 46 PHE H 1 46 PHE QB . . 3.170 2.591 2.500 2.672 . 0 0 "[ . 1 . 2]" 1
1065 1 46 PHE H 1 46 PHE HB3 . . 3.740 3.711 3.672 3.777 0.037 17 0 "[ . 1 . 2]" 1
1066 1 46 PHE H 1 46 PHE QD . . 3.570 2.356 1.994 2.762 . 0 0 "[ . 1 . 2]" 1
1067 1 46 PHE H 1 47 LYS H . . 3.160 2.312 2.129 2.461 . 0 0 "[ . 1 . 2]" 1
1068 1 46 PHE H 1 47 LYS HA . . 4.560 4.447 4.299 4.547 . 0 0 "[ . 1 . 2]" 1
1069 1 46 PHE H 1 48 VAL H . . 4.340 3.578 3.335 3.801 . 0 0 "[ . 1 . 2]" 1
1070 1 46 PHE H 1 48 VAL MG1 . . 4.950 4.315 4.060 4.597 . 0 0 "[ . 1 . 2]" 1
1071 1 46 PHE H 1 48 VAL MG2 . . 4.170 3.393 3.176 3.557 . 0 0 "[ . 1 . 2]" 1
1072 1 46 PHE H 1 75 ALA MB . . 4.520 4.474 4.372 4.521 0.001 20 0 "[ . 1 . 2]" 1
1073 1 46 PHE HA 1 46 PHE QD . . 3.880 2.994 2.713 3.185 . 0 0 "[ . 1 . 2]" 1
1074 1 46 PHE HA 1 47 LYS QG . . 4.810 3.765 3.258 4.817 0.007 17 0 "[ . 1 . 2]" 1
1075 1 46 PHE QB 1 47 LYS H . . 4.030 3.509 3.406 3.595 . 0 0 "[ . 1 . 2]" 1
1076 1 46 PHE QB 1 48 VAL H . . 4.200 3.364 3.131 3.688 . 0 0 "[ . 1 . 2]" 1
1077 1 46 PHE QB 1 48 VAL MG2 . . 3.350 2.160 1.968 2.447 . 0 0 "[ . 1 . 2]" 1
1078 1 46 PHE QB 1 75 ALA HA . . 4.410 3.867 3.638 4.111 . 0 0 "[ . 1 . 2]" 1
1079 1 46 PHE HB2 1 47 LYS H . . 4.730 3.683 3.551 3.794 . 0 0 "[ . 1 . 2]" 1
1080 1 46 PHE HB2 1 48 VAL MG1 . . 4.070 2.384 2.090 2.790 . 0 0 "[ . 1 . 2]" 1
1081 1 46 PHE HB2 1 48 VAL MG2 . . 3.960 2.179 1.982 2.483 . 0 0 "[ . 1 . 2]" 1
1082 1 46 PHE HB2 1 75 ALA H . . 4.660 4.434 4.281 4.642 . 0 0 "[ . 1 . 2]" 1
1083 1 46 PHE HB2 1 75 ALA MB . . 3.730 2.674 2.489 2.800 . 0 0 "[ . 1 . 2]" 1
1084 1 46 PHE HB3 1 47 LYS H . . 4.730 4.419 4.333 4.458 . 0 0 "[ . 1 . 2]" 1
1085 1 46 PHE HB3 1 48 VAL MG1 . . 4.070 2.810 2.492 3.334 . 0 0 "[ . 1 . 2]" 1
1086 1 46 PHE HB3 1 48 VAL MG2 . . 3.960 3.584 3.297 3.920 . 0 0 "[ . 1 . 2]" 1
1087 1 46 PHE HB3 1 75 ALA H . . 4.660 3.997 3.676 4.433 . 0 0 "[ . 1 . 2]" 1
1088 1 46 PHE HB3 1 75 ALA MB . . 3.730 3.326 3.006 3.731 0.001 17 0 "[ . 1 . 2]" 1
1089 1 46 PHE QD 1 47 LYS H . . 4.810 4.380 4.069 4.696 . 0 0 "[ . 1 . 2]" 1
1090 1 46 PHE QD 1 48 VAL MG2 . . 4.790 3.094 2.846 3.467 . 0 0 "[ . 1 . 2]" 1
1091 1 46 PHE QD 1 74 GLU QB . . 4.040 2.398 2.081 2.857 . 0 0 "[ . 1 . 2]" 1
1092 1 46 PHE QD 1 75 ALA H . . 4.490 3.871 3.575 4.212 . 0 0 "[ . 1 . 2]" 1
1093 1 46 PHE QD 1 75 ALA HA . . 4.620 3.287 2.801 3.634 . 0 0 "[ . 1 . 2]" 1
1094 1 46 PHE QD 1 75 ALA MB . . 4.150 2.833 2.551 3.157 . 0 0 "[ . 1 . 2]" 1
1095 1 46 PHE QE 1 74 GLU QB . . 3.900 2.225 1.974 2.828 . 0 0 "[ . 1 . 2]" 1
1096 1 46 PHE QE 1 75 ALA HA . . 5.030 3.094 2.794 3.524 . 0 0 "[ . 1 . 2]" 1
1097 1 46 PHE QE 1 78 HIS H . . 5.300 4.749 4.451 5.100 . 0 0 "[ . 1 . 2]" 1
1098 1 46 PHE QE 1 78 HIS HB3 . . 4.660 3.160 2.886 3.671 . 0 0 "[ . 1 . 2]" 1
1099 1 46 PHE QE 1 78 HIS HE1 . . 4.860 4.776 4.636 4.861 0.001 15 0 "[ . 1 . 2]" 1
1100 1 46 PHE HZ 1 75 ALA HA . . 5.500 3.646 3.268 3.964 . 0 0 "[ . 1 . 2]" 1
1101 1 46 PHE HZ 1 78 HIS H . . 5.500 4.564 4.175 4.941 . 0 0 "[ . 1 . 2]" 1
1102 1 46 PHE HZ 1 78 HIS HB2 . . 3.920 2.626 2.209 3.096 . 0 0 "[ . 1 . 2]" 1
1103 1 46 PHE HZ 1 78 HIS HB3 . . 4.540 3.559 2.824 4.240 . 0 0 "[ . 1 . 2]" 1
1104 1 47 LYS H 1 47 LYS QD . . 3.490 3.125 2.319 3.472 . 0 0 "[ . 1 . 2]" 1
1105 1 47 LYS H 1 47 LYS QG . . 3.680 2.734 2.458 3.349 . 0 0 "[ . 1 . 2]" 1
1106 1 47 LYS H 1 48 VAL MG1 . . 4.830 4.189 4.020 4.414 . 0 0 "[ . 1 . 2]" 1
1107 1 47 LYS H 1 48 VAL MG2 . . 4.330 3.863 3.584 4.106 . 0 0 "[ . 1 . 2]" 1
1108 1 47 LYS HA 1 47 LYS HD2 . . 4.140 2.911 2.044 3.461 . 0 0 "[ . 1 . 2]" 1
1109 1 47 LYS HA 1 47 LYS QD . . 3.380 2.374 2.032 3.145 . 0 0 "[ . 1 . 2]" 1
1110 1 47 LYS HA 1 47 LYS HD3 . . 4.140 2.961 2.180 3.923 . 0 0 "[ . 1 . 2]" 1
1111 1 47 LYS HA 1 47 LYS QG . . 3.820 2.814 2.349 3.011 . 0 0 "[ . 1 . 2]" 1
1112 1 47 LYS HA 1 48 VAL H . . 3.170 2.757 2.640 2.850 . 0 0 "[ . 1 . 2]" 1
1113 1 47 LYS QB 1 48 VAL H . . 4.140 3.873 3.832 3.904 . 0 0 "[ . 1 . 2]" 1
1114 1 47 LYS QB 1 71 ASN QD . . 3.820 3.488 3.139 3.811 . 0 0 "[ . 1 . 2]" 1
1115 1 47 LYS HB2 1 48 VAL H . . 4.770 4.254 4.170 4.334 . 0 0 "[ . 1 . 2]" 1
1116 1 47 LYS HB3 1 48 VAL H . . 4.770 4.458 4.420 4.517 . 0 0 "[ . 1 . 2]" 1
1117 1 47 LYS HE2 1 47 LYS QG . . 3.550 2.489 2.078 3.304 . 0 0 "[ . 1 . 2]" 1
1118 1 47 LYS HE3 1 47 LYS QG . . 3.550 2.970 2.059 3.436 . 0 0 "[ . 1 . 2]" 1
1119 1 47 LYS QG 1 48 VAL H . . 4.930 4.659 4.505 4.812 . 0 0 "[ . 1 . 2]" 1
1120 1 48 VAL H 1 48 VAL MG1 . . 3.590 2.857 2.649 3.080 . 0 0 "[ . 1 . 2]" 1
1121 1 48 VAL H 1 48 VAL MG2 . . 3.140 2.089 1.882 2.246 . 0 0 "[ . 1 . 2]" 1
1122 1 48 VAL H 1 49 ASP H . . 4.760 4.488 4.441 4.524 . 0 0 "[ . 1 . 2]" 1
1123 1 48 VAL H 1 75 ALA MB . . 4.960 4.790 4.689 4.951 . 0 0 "[ . 1 . 2]" 1
1124 1 48 VAL HA 1 48 VAL MG1 . . 3.310 2.303 2.158 2.371 . 0 0 "[ . 1 . 2]" 1
1125 1 48 VAL HA 1 49 ASP H . . 3.120 2.447 2.311 2.607 . 0 0 "[ . 1 . 2]" 1
1126 1 48 VAL HA 1 65 VAL MG1 . . 4.640 4.311 4.100 4.592 . 0 0 "[ . 1 . 2]" 1
1127 1 48 VAL HA 1 66 THR H . . 5.280 4.976 4.659 5.234 . 0 0 "[ . 1 . 2]" 1
1128 1 48 VAL HA 1 67 GLY HA2 . . 4.850 4.142 3.925 4.398 . 0 0 "[ . 1 . 2]" 1
1129 1 48 VAL HA 1 67 GLY QA . . 4.260 3.096 2.839 3.303 . 0 0 "[ . 1 . 2]" 1
1130 1 48 VAL HA 1 67 GLY HA3 . . 4.850 3.197 2.911 3.413 . 0 0 "[ . 1 . 2]" 1
1131 1 48 VAL HB 1 49 ASP H . . 3.320 2.293 2.002 2.605 . 0 0 "[ . 1 . 2]" 1
1132 1 48 VAL HB 1 65 VAL MG1 . . 3.300 2.365 2.137 2.654 . 0 0 "[ . 1 . 2]" 1
1133 1 48 VAL HB 1 66 THR H . . 4.240 3.712 3.291 4.021 . 0 0 "[ . 1 . 2]" 1
1134 1 48 VAL HB 1 67 GLY QA . . 4.810 3.668 3.472 3.939 . 0 0 "[ . 1 . 2]" 1
1135 1 48 VAL HB 1 75 ALA MB . . 4.290 3.902 3.707 4.101 . 0 0 "[ . 1 . 2]" 1
1136 1 48 VAL MG1 1 49 ASP H . . 3.670 3.584 3.453 3.670 . 0 0 "[ . 1 . 2]" 1
1137 1 48 VAL MG1 1 65 VAL MG1 . . 3.310 2.908 2.722 3.076 . 0 0 "[ . 1 . 2]" 1
1138 1 48 VAL MG1 1 67 GLY HA2 . . 4.170 3.926 3.748 4.109 . 0 0 "[ . 1 . 2]" 1
1139 1 48 VAL MG1 1 67 GLY QA . . 3.460 2.426 2.236 2.615 . 0 0 "[ . 1 . 2]" 1
1140 1 48 VAL MG1 1 67 GLY HA3 . . 4.170 2.449 2.252 2.645 . 0 0 "[ . 1 . 2]" 1
1141 1 48 VAL MG1 1 68 LEU H . . 4.140 4.034 3.788 4.133 . 0 0 "[ . 1 . 2]" 1
1142 1 48 VAL MG1 1 71 ASN H . . 4.900 4.684 4.448 4.897 . 0 0 "[ . 1 . 2]" 1
1143 1 48 VAL MG1 1 71 ASN HB2 . . 3.770 3.102 2.883 3.359 . 0 0 "[ . 1 . 2]" 1
1144 1 48 VAL MG1 1 71 ASN HB3 . . 3.600 2.580 2.305 2.858 . 0 0 "[ . 1 . 2]" 1
1145 1 48 VAL MG1 1 72 VAL H . . 3.930 3.492 3.299 3.728 . 0 0 "[ . 1 . 2]" 1
1146 1 48 VAL MG1 1 72 VAL HA . . 3.070 2.439 2.247 2.672 . 0 0 "[ . 1 . 2]" 1
1147 1 48 VAL MG1 1 75 ALA H . . 4.210 4.089 3.924 4.210 . 0 0 "[ . 1 . 2]" 1
1148 1 48 VAL MG1 1 75 ALA MB . . 3.050 2.596 2.359 2.800 . 0 0 "[ . 1 . 2]" 1
1149 1 48 VAL MG2 1 49 ASP H . . 3.930 3.399 3.026 3.677 . 0 0 "[ . 1 . 2]" 1
1150 1 48 VAL MG2 1 50 ILE H . . 4.620 3.739 3.284 4.146 . 0 0 "[ . 1 . 2]" 1
1151 1 48 VAL MG2 1 50 ILE HB . . 5.020 4.797 4.494 5.018 . 0 0 "[ . 1 . 2]" 1
1152 1 48 VAL MG2 1 50 ILE HG12 . . 4.180 3.337 3.036 3.678 . 0 0 "[ . 1 . 2]" 1
1153 1 48 VAL MG2 1 50 ILE HG13 . . 3.850 2.643 2.219 2.865 . 0 0 "[ . 1 . 2]" 1
1154 1 48 VAL MG2 1 65 VAL MG1 . . 3.290 2.523 2.186 2.974 . 0 0 "[ . 1 . 2]" 1
1155 1 48 VAL MG2 1 75 ALA MB . . 3.130 2.215 1.962 2.453 . 0 0 "[ . 1 . 2]" 1
1156 1 49 ASP H 1 49 ASP QB . . 3.260 2.515 2.376 2.834 . 0 0 "[ . 1 . 2]" 1
1157 1 49 ASP H 1 50 ILE H . . 4.300 4.037 3.841 4.241 . 0 0 "[ . 1 . 2]" 1
1158 1 49 ASP H 1 50 ILE HG13 . . 5.450 4.489 4.056 4.938 . 0 0 "[ . 1 . 2]" 1
1159 1 49 ASP H 1 65 VAL MG1 . . 4.150 3.290 2.886 3.654 . 0 0 "[ . 1 . 2]" 1
1160 1 49 ASP H 1 66 THR HB . . 4.120 3.040 2.786 3.360 . 0 0 "[ . 1 . 2]" 1
1161 1 49 ASP H 1 66 THR MG . . 4.600 4.387 4.185 4.551 . 0 0 "[ . 1 . 2]" 1
1162 1 49 ASP H 1 67 GLY QA . . 4.870 3.868 3.655 4.133 . 0 0 "[ . 1 . 2]" 1
1163 1 49 ASP HA 1 50 ILE H . . 2.820 2.180 2.144 2.227 . 0 0 "[ . 1 . 2]" 1
1164 1 49 ASP HA 1 50 ILE HB . . 4.880 4.715 4.614 4.796 . 0 0 "[ . 1 . 2]" 1
1165 1 49 ASP HA 1 50 ILE HG12 . . 5.500 5.371 5.084 5.482 . 0 0 "[ . 1 . 2]" 1
1166 1 49 ASP HA 1 50 ILE HG13 . . 5.440 3.879 3.694 4.054 . 0 0 "[ . 1 . 2]" 1
1167 1 49 ASP HA 1 65 VAL MG1 . . 5.500 4.864 4.586 5.103 . 0 0 "[ . 1 . 2]" 1
1168 1 49 ASP QB 1 50 ILE H . . 4.120 3.737 3.439 3.973 . 0 0 "[ . 1 . 2]" 1
1169 1 49 ASP QB 1 66 THR H . . 3.970 3.180 2.672 3.554 . 0 0 "[ . 1 . 2]" 1
1170 1 49 ASP QB 1 66 THR HB . . 3.250 2.149 1.984 2.467 . 0 0 "[ . 1 . 2]" 1
1171 1 49 ASP QB 1 66 THR MG . . 3.770 3.573 3.287 3.767 . 0 0 "[ . 1 . 2]" 1
1172 1 50 ILE H 1 50 ILE HB . . 3.290 2.556 2.489 2.625 . 0 0 "[ . 1 . 2]" 1
1173 1 50 ILE H 1 50 ILE MD . . 3.950 3.449 3.202 3.698 . 0 0 "[ . 1 . 2]" 1
1174 1 50 ILE H 1 50 ILE HG12 . . 4.130 3.633 3.337 3.814 . 0 0 "[ . 1 . 2]" 1
1175 1 50 ILE H 1 50 ILE HG13 . . 3.740 2.249 2.097 2.525 . 0 0 "[ . 1 . 2]" 1
1176 1 50 ILE H 1 50 ILE MG . . 4.100 3.790 3.771 3.817 . 0 0 "[ . 1 . 2]" 1
1177 1 50 ILE H 1 51 ARG H . . 4.730 4.462 4.299 4.592 . 0 0 "[ . 1 . 2]" 1
1178 1 50 ILE HA 1 50 ILE MD . . 4.310 3.891 3.808 3.934 . 0 0 "[ . 1 . 2]" 1
1179 1 50 ILE HA 1 50 ILE MG . . 3.460 2.304 2.208 2.404 . 0 0 "[ . 1 . 2]" 1
1180 1 50 ILE HA 1 51 ARG H . . 3.100 2.164 2.140 2.233 . 0 0 "[ . 1 . 2]" 1
1181 1 50 ILE HA 1 65 VAL MG2 . . 4.250 2.573 2.201 2.972 . 0 0 "[ . 1 . 2]" 1
1182 1 50 ILE HA 1 66 THR H . . 4.010 3.532 3.180 3.770 . 0 0 "[ . 1 . 2]" 1
1183 1 50 ILE HB 1 50 ILE MD . . 3.290 2.342 2.168 2.525 . 0 0 "[ . 1 . 2]" 1
1184 1 50 ILE HB 1 51 ARG H . . 4.710 4.165 3.853 4.384 . 0 0 "[ . 1 . 2]" 1
1185 1 50 ILE HB 1 52 PHE QD . . 5.280 4.509 4.095 5.011 . 0 0 "[ . 1 . 2]" 1
1186 1 50 ILE HB 1 52 PHE QE . . 4.930 3.729 3.187 4.379 . 0 0 "[ . 1 . 2]" 1
1187 1 50 ILE MD 1 50 ILE MG . . 3.030 2.157 1.905 2.405 . 0 0 "[ . 1 . 2]" 1
1188 1 50 ILE MD 1 52 PHE QE . . 4.880 3.952 3.649 4.432 . 0 0 "[ . 1 . 2]" 1
1189 1 50 ILE MD 1 52 PHE HZ . . 5.500 4.309 3.927 4.630 . 0 0 "[ . 1 . 2]" 1
1190 1 50 ILE MD 1 79 ILE HG12 . . 4.550 3.109 2.795 3.374 . 0 0 "[ . 1 . 2]" 1
1191 1 50 ILE HG12 1 50 ILE MG . . 3.450 2.213 2.058 2.357 . 0 0 "[ . 1 . 2]" 1
1192 1 50 ILE HG12 1 51 ARG H . . 5.110 4.557 4.344 4.841 . 0 0 "[ . 1 . 2]" 1
1193 1 50 ILE HG12 1 63 VAL HB . . 5.500 5.296 4.847 5.503 0.003 7 0 "[ . 1 . 2]" 1
1194 1 50 ILE HG12 1 65 VAL HA . . 4.870 3.753 3.447 4.091 . 0 0 "[ . 1 . 2]" 1
1195 1 50 ILE HG12 1 65 VAL MG2 . . 3.870 2.154 1.963 2.473 . 0 0 "[ . 1 . 2]" 1
1196 1 50 ILE HG13 1 50 ILE MG . . 3.700 3.170 3.140 3.186 . 0 0 "[ . 1 . 2]" 1
1197 1 50 ILE HG13 1 51 ARG H . . 5.500 4.965 4.797 5.182 . 0 0 "[ . 1 . 2]" 1
1198 1 50 ILE HG13 1 65 VAL MG1 . . 3.950 3.161 2.822 3.709 . 0 0 "[ . 1 . 2]" 1
1199 1 50 ILE HG13 1 65 VAL MG2 . . 4.110 3.484 3.264 3.864 . 0 0 "[ . 1 . 2]" 1
1200 1 50 ILE HG13 1 79 ILE MD . . 5.210 4.174 3.902 4.468 . 0 0 "[ . 1 . 2]" 1
1201 1 50 ILE MG 1 51 ARG H . . 3.460 2.468 1.936 3.022 . 0 0 "[ . 1 . 2]" 1
1202 1 50 ILE MG 1 51 ARG HA . . 4.270 3.820 3.547 4.062 . 0 0 "[ . 1 . 2]" 1
1203 1 50 ILE MG 1 52 PHE H . . 4.840 3.937 3.519 4.142 . 0 0 "[ . 1 . 2]" 1
1204 1 50 ILE MG 1 52 PHE QD . . 4.400 3.325 2.912 3.708 . 0 0 "[ . 1 . 2]" 1
1205 1 50 ILE MG 1 52 PHE QE . . 3.670 2.771 2.206 3.217 . 0 0 "[ . 1 . 2]" 1
1206 1 50 ILE MG 1 52 PHE HZ . . 4.840 3.478 3.196 3.950 . 0 0 "[ . 1 . 2]" 1
1207 1 50 ILE MG 1 63 VAL HB . . 3.830 2.563 2.239 2.855 . 0 0 "[ . 1 . 2]" 1
1208 1 50 ILE MG 1 63 VAL MG1 . . 3.420 3.206 2.856 3.367 . 0 0 "[ . 1 . 2]" 1
1209 1 50 ILE MG 1 64 THR H . . 4.360 4.054 3.785 4.350 . 0 0 "[ . 1 . 2]" 1
1210 1 50 ILE MG 1 65 VAL HA . . 4.600 3.723 3.297 4.032 . 0 0 "[ . 1 . 2]" 1
1211 1 50 ILE MG 1 65 VAL MG1 . . 4.350 3.913 3.603 4.250 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ILE MG 1 65 VAL MG2 . . 3.400 2.429 2.099 2.705 . 0 0 "[ . 1 . 2]" 1
1213 1 50 ILE MG 1 79 ILE MD . . 3.870 2.800 2.537 3.029 . 0 0 "[ . 1 . 2]" 1
1214 1 51 ARG H 1 51 ARG HB2 . . 3.690 2.757 2.538 2.967 . 0 0 "[ . 1 . 2]" 1
1215 1 51 ARG H 1 51 ARG QB . . 3.150 2.473 2.344 2.611 . 0 0 "[ . 1 . 2]" 1
1216 1 51 ARG H 1 51 ARG HB3 . . 3.690 2.815 2.587 2.996 . 0 0 "[ . 1 . 2]" 1
1217 1 51 ARG H 1 51 ARG QG . . 4.650 4.157 4.058 4.253 . 0 0 "[ . 1 . 2]" 1
1218 1 51 ARG H 1 52 PHE H . . 4.280 4.224 4.051 4.281 0.001 5 0 "[ . 1 . 2]" 1
1219 1 51 ARG H 1 63 VAL HB . . 4.870 3.689 3.243 4.045 . 0 0 "[ . 1 . 2]" 1
1220 1 51 ARG H 1 64 THR H . . 3.740 3.264 2.966 3.656 . 0 0 "[ . 1 . 2]" 1
1221 1 51 ARG H 1 64 THR HB . . 4.070 3.757 3.367 4.022 . 0 0 "[ . 1 . 2]" 1
1222 1 51 ARG H 1 64 THR MG . . 4.590 4.232 3.905 4.580 . 0 0 "[ . 1 . 2]" 1
1223 1 51 ARG H 1 65 VAL HA . . 4.030 3.145 2.696 3.536 . 0 0 "[ . 1 . 2]" 1
1224 1 51 ARG H 1 65 VAL MG1 . . 5.500 4.797 4.483 5.203 . 0 0 "[ . 1 . 2]" 1
1225 1 51 ARG H 1 65 VAL MG2 . . 4.170 3.572 3.115 3.947 . 0 0 "[ . 1 . 2]" 1
1226 1 51 ARG H 1 66 THR H . . 5.000 4.492 4.088 4.894 . 0 0 "[ . 1 . 2]" 1
1227 1 51 ARG HA 1 51 ARG QD . . 2.830 2.375 1.996 2.775 . 0 0 "[ . 1 . 2]" 1
1228 1 51 ARG HA 1 51 ARG QG . . 3.380 2.535 2.268 2.951 . 0 0 "[ . 1 . 2]" 1
1229 1 51 ARG HA 1 52 PHE H . . 2.960 2.148 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
1230 1 51 ARG QB 1 51 ARG QD . . 3.190 2.273 2.132 2.597 . 0 0 "[ . 1 . 2]" 1
1231 1 51 ARG QB 1 52 PHE H . . 3.980 3.848 3.755 3.949 . 0 0 "[ . 1 . 2]" 1
1232 1 51 ARG QB 1 64 THR H . . 4.100 2.944 2.608 3.207 . 0 0 "[ . 1 . 2]" 1
1233 1 51 ARG QB 1 64 THR HB . . 3.210 2.110 1.981 2.344 . 0 0 "[ . 1 . 2]" 1
1234 1 51 ARG QB 1 64 THR MG . . 3.690 3.185 2.867 3.395 . 0 0 "[ . 1 . 2]" 1
1235 1 51 ARG HB2 1 52 PHE H . . 4.700 4.493 4.358 4.552 . 0 0 "[ . 1 . 2]" 1
1236 1 51 ARG HB2 1 64 THR H . . 4.770 4.429 3.984 4.655 . 0 0 "[ . 1 . 2]" 1
1237 1 51 ARG HB2 1 64 THR HB . . 3.670 3.406 3.025 3.656 . 0 0 "[ . 1 . 2]" 1
1238 1 51 ARG HB2 1 64 THR MG . . 4.290 3.814 3.469 4.151 . 0 0 "[ . 1 . 2]" 1
1239 1 51 ARG HB3 1 52 PHE H . . 4.700 4.186 4.036 4.333 . 0 0 "[ . 1 . 2]" 1
1240 1 51 ARG HB3 1 64 THR H . . 4.770 2.989 2.644 3.272 . 0 0 "[ . 1 . 2]" 1
1241 1 51 ARG HB3 1 64 THR HB . . 3.670 2.132 2.000 2.372 . 0 0 "[ . 1 . 2]" 1
1242 1 51 ARG HB3 1 64 THR MG . . 4.290 3.420 3.057 3.727 . 0 0 "[ . 1 . 2]" 1
1243 1 51 ARG QD 1 52 PHE H . . 3.880 3.263 2.277 3.779 . 0 0 "[ . 1 . 2]" 1
1244 1 51 ARG QD 1 64 THR MG . . 5.350 5.042 4.489 5.347 . 0 0 "[ . 1 . 2]" 1
1245 1 51 ARG QG 1 52 PHE H . . 3.660 3.307 2.879 3.637 . 0 0 "[ . 1 . 2]" 1
1246 1 51 ARG QG 1 64 THR HB . . 4.090 3.620 3.229 3.846 . 0 0 "[ . 1 . 2]" 1
1247 1 51 ARG HG2 1 64 THR HB . . 4.970 4.124 3.542 4.958 . 0 0 "[ . 1 . 2]" 1
1248 1 51 ARG HG3 1 64 THR HB . . 4.970 4.234 3.722 4.737 . 0 0 "[ . 1 . 2]" 1
1249 1 52 PHE H 1 52 PHE HB2 . . 3.350 2.298 2.242 2.378 . 0 0 "[ . 1 . 2]" 1
1250 1 52 PHE H 1 52 PHE HB3 . . 4.010 3.564 3.531 3.609 . 0 0 "[ . 1 . 2]" 1
1251 1 52 PHE H 1 52 PHE QD . . 3.470 2.575 2.258 2.888 . 0 0 "[ . 1 . 2]" 1
1252 1 52 PHE H 1 52 PHE QE . . 5.070 4.677 4.430 4.904 . 0 0 "[ . 1 . 2]" 1
1253 1 52 PHE H 1 53 PRO HD2 . . 4.840 4.789 4.758 4.815 . 0 0 "[ . 1 . 2]" 1
1254 1 52 PHE H 1 53 PRO HD3 . . 5.140 5.048 5.021 5.084 . 0 0 "[ . 1 . 2]" 1
1255 1 52 PHE H 1 63 VAL HB . . 5.500 4.782 4.443 5.098 . 0 0 "[ . 1 . 2]" 1
1256 1 52 PHE H 1 63 VAL MG1 . . 4.790 4.574 4.226 4.779 . 0 0 "[ . 1 . 2]" 1
1257 1 52 PHE HA 1 52 PHE QD . . 4.080 2.888 2.635 3.021 . 0 0 "[ . 1 . 2]" 1
1258 1 52 PHE HA 1 53 PRO HD2 . . 3.610 2.389 2.337 2.471 . 0 0 "[ . 1 . 2]" 1
1259 1 52 PHE HA 1 53 PRO HD3 . . 3.520 2.294 2.276 2.328 . 0 0 "[ . 1 . 2]" 1
1260 1 52 PHE HA 1 53 PRO HG2 . . 4.700 4.503 4.461 4.570 . 0 0 "[ . 1 . 2]" 1
1261 1 52 PHE HA 1 53 PRO HG3 . . 4.700 4.464 4.434 4.514 . 0 0 "[ . 1 . 2]" 1
1262 1 52 PHE HA 1 63 VAL HA . . 4.340 3.019 2.824 3.149 . 0 0 "[ . 1 . 2]" 1
1263 1 52 PHE HA 1 63 VAL HB . . 5.160 3.133 2.782 3.386 . 0 0 "[ . 1 . 2]" 1
1264 1 52 PHE HA 1 63 VAL MG1 . . 3.840 2.348 2.065 2.652 . 0 0 "[ . 1 . 2]" 1
1265 1 52 PHE HA 1 63 VAL MG2 . . 4.670 4.533 4.289 4.645 . 0 0 "[ . 1 . 2]" 1
1266 1 52 PHE HA 1 64 THR H . . 4.740 3.884 3.637 4.058 . 0 0 "[ . 1 . 2]" 1
1267 1 52 PHE HB2 1 53 PRO HD2 . . 4.070 3.718 3.610 3.805 . 0 0 "[ . 1 . 2]" 1
1268 1 52 PHE HB2 1 53 PRO HD3 . . 4.820 4.763 4.695 4.817 . 0 0 "[ . 1 . 2]" 1
1269 1 52 PHE HB2 1 63 VAL MG1 . . 5.500 4.503 4.353 4.725 . 0 0 "[ . 1 . 2]" 1
1270 1 52 PHE HB3 1 53 PRO HD2 . . 3.770 2.143 2.002 2.265 . 0 0 "[ . 1 . 2]" 1
1271 1 52 PHE HB3 1 53 PRO HD3 . . 4.110 3.573 3.451 3.674 . 0 0 "[ . 1 . 2]" 1
1272 1 52 PHE HB3 1 63 VAL MG1 . . 4.740 3.770 3.597 3.910 . 0 0 "[ . 1 . 2]" 1
1273 1 52 PHE QD 1 53 PRO HD2 . . 4.070 2.256 2.066 2.583 . 0 0 "[ . 1 . 2]" 1
1274 1 52 PHE QD 1 53 PRO HD3 . . 4.250 3.449 3.116 3.788 . 0 0 "[ . 1 . 2]" 1
1275 1 52 PHE QD 1 53 PRO QG . . 4.810 3.826 3.619 4.130 . 0 0 "[ . 1 . 2]" 1
1276 1 52 PHE QD 1 63 VAL HB . . 5.500 4.308 3.960 4.600 . 0 0 "[ . 1 . 2]" 1
1277 1 52 PHE QD 1 63 VAL MG1 . . 4.110 2.447 1.970 2.727 . 0 0 "[ . 1 . 2]" 1
1278 1 52 PHE QD 1 63 VAL MG2 . . 4.890 4.761 4.429 4.873 . 0 0 "[ . 1 . 2]" 1
1279 1 52 PHE QE 1 63 VAL MG1 . . 4.020 2.835 2.546 3.102 . 0 0 "[ . 1 . 2]" 1
1280 1 52 PHE QE 1 63 VAL MG2 . . 4.590 4.448 4.079 4.586 . 0 0 "[ . 1 . 2]" 1
1281 1 52 PHE HZ 1 63 VAL MG1 . . 5.050 4.007 3.608 4.390 . 0 0 "[ . 1 . 2]" 1
1282 1 53 PRO HA 1 54 GLN H . . 2.730 2.158 2.151 2.191 . 0 0 "[ . 1 . 2]" 1
1283 1 53 PRO HA 1 57 ALA MB . . 3.750 2.512 2.273 2.694 . 0 0 "[ . 1 . 2]" 1
1284 1 53 PRO HB2 1 57 ALA H . . 4.970 4.490 4.237 4.828 . 0 0 "[ . 1 . 2]" 1
1285 1 53 PRO HB2 1 57 ALA MB . . 3.280 2.154 2.037 2.307 . 0 0 "[ . 1 . 2]" 1
1286 1 53 PRO HB2 1 60 PRO HA . . 4.180 2.044 1.998 2.186 . 0 0 "[ . 1 . 2]" 1
1287 1 53 PRO HB2 1 62 CYS H . . 4.940 4.439 4.329 4.608 . 0 0 "[ . 1 . 2]" 1
1288 1 53 PRO HB3 1 54 GLN H . . 4.300 4.123 4.027 4.283 . 0 0 "[ . 1 . 2]" 1
1289 1 53 PRO HB3 1 57 ALA HA . . 5.500 5.370 5.193 5.490 . 0 0 "[ . 1 . 2]" 1
1290 1 53 PRO HB3 1 57 ALA MB . . 3.240 2.659 2.511 2.809 . 0 0 "[ . 1 . 2]" 1
1291 1 53 PRO HB3 1 58 PRO HD2 . . 4.710 4.646 4.469 4.711 0.001 8 0 "[ . 1 . 2]" 1
1292 1 53 PRO HB3 1 59 ASP H . . 4.280 3.921 3.740 4.151 . 0 0 "[ . 1 . 2]" 1
1293 1 53 PRO HB3 1 60 PRO HA . . 4.200 3.103 2.814 3.325 . 0 0 "[ . 1 . 2]" 1
1294 1 53 PRO HB3 1 61 ASN H . . 4.900 4.636 4.497 4.716 . 0 0 "[ . 1 . 2]" 1
1295 1 53 PRO HB3 1 62 CYS H . . 3.620 3.604 3.563 3.624 0.004 20 0 "[ . 1 . 2]" 1
1296 1 53 PRO HB3 1 63 VAL MG1 . . 5.500 4.794 4.571 4.948 . 0 0 "[ . 1 . 2]" 1
1297 1 53 PRO HD2 1 63 VAL HA . . 4.360 4.090 3.882 4.276 . 0 0 "[ . 1 . 2]" 1
1298 1 53 PRO HD2 1 63 VAL MG1 . . 4.420 2.797 2.506 3.062 . 0 0 "[ . 1 . 2]" 1
1299 1 53 PRO HD3 1 62 CYS H . . 4.510 3.994 3.837 4.116 . 0 0 "[ . 1 . 2]" 1
1300 1 53 PRO HD3 1 63 VAL HA . . 4.150 2.532 2.273 2.732 . 0 0 "[ . 1 . 2]" 1
1301 1 53 PRO HD3 1 63 VAL MG1 . . 4.170 2.356 2.021 2.612 . 0 0 "[ . 1 . 2]" 1
1302 1 53 PRO HD3 1 63 VAL MG2 . . 4.850 4.664 4.400 4.828 . 0 0 "[ . 1 . 2]" 1
1303 1 53 PRO QG 1 61 ASN HA . . 4.790 3.689 3.541 3.844 . 0 0 "[ . 1 . 2]" 1
1304 1 53 PRO QG 1 62 CYS H . . 3.680 2.549 2.414 2.711 . 0 0 "[ . 1 . 2]" 1
1305 1 53 PRO QG 1 63 VAL MG1 . . 5.350 3.468 3.185 3.641 . 0 0 "[ . 1 . 2]" 1
1306 1 53 PRO HG2 1 57 ALA MB . . 4.560 4.078 3.910 4.235 . 0 0 "[ . 1 . 2]" 1
1307 1 53 PRO HG2 1 60 PRO HA . . 3.960 2.617 2.378 2.786 . 0 0 "[ . 1 . 2]" 1
1308 1 53 PRO HG3 1 57 ALA MB . . 4.560 4.252 4.166 4.365 . 0 0 "[ . 1 . 2]" 1
1309 1 53 PRO HG3 1 60 PRO HA . . 3.960 2.705 2.410 2.945 . 0 0 "[ . 1 . 2]" 1
1310 1 54 GLN H 1 54 GLN HA . . 2.920 2.837 2.764 2.889 . 0 0 "[ . 1 . 2]" 1
1311 1 54 GLN H 1 54 GLN HB2 . . 3.640 2.926 2.201 3.603 . 0 0 "[ . 1 . 2]" 1
1312 1 54 GLN H 1 54 GLN QB . . 2.960 2.442 2.179 2.642 . 0 0 "[ . 1 . 2]" 1
1313 1 54 GLN H 1 54 GLN HB3 . . 3.640 3.141 2.525 3.609 . 0 0 "[ . 1 . 2]" 1
1314 1 54 GLN H 1 54 GLN QG . . 3.400 2.317 1.898 3.132 . 0 0 "[ . 1 . 2]" 1
1315 1 54 GLN H 1 57 ALA H . . 4.760 4.199 3.584 4.689 . 0 0 "[ . 1 . 2]" 1
1316 1 54 GLN H 1 57 ALA MB . . 3.400 2.108 1.931 2.432 . 0 0 "[ . 1 . 2]" 1
1317 1 54 GLN HA 1 54 GLN QG . . 3.580 2.897 2.296 3.339 . 0 0 "[ . 1 . 2]" 1
1318 1 54 GLN HA 1 55 SER QB . . 4.880 4.604 4.327 4.796 . 0 0 "[ . 1 . 2]" 1
1319 1 54 GLN QB 1 55 SER H . . 3.840 2.142 1.964 2.442 . 0 0 "[ . 1 . 2]" 1
1320 1 54 GLN QB 1 55 SER QB . . 4.880 3.845 3.489 4.222 . 0 0 "[ . 1 . 2]" 1
1321 1 54 GLN QB 1 57 ALA H . . 4.360 3.918 3.214 4.208 . 0 0 "[ . 1 . 2]" 1
1322 1 54 GLN QG 1 57 ALA MB . . 4.490 3.166 1.936 4.472 . 0 0 "[ . 1 . 2]" 1
1323 1 55 SER H 1 57 ALA H . . 5.190 4.299 3.906 4.715 . 0 0 "[ . 1 . 2]" 1
1324 1 55 SER HA 1 57 ALA H . . 4.000 3.802 3.662 3.948 . 0 0 "[ . 1 . 2]" 1
1325 1 55 SER QB 1 56 GLY H . . 5.100 2.860 2.151 3.715 . 0 0 "[ . 1 . 2]" 1
1326 1 56 GLY H 1 57 ALA H . . 4.230 2.810 2.207 3.293 . 0 0 "[ . 1 . 2]" 1
1327 1 57 ALA H 1 57 ALA MB . . 2.660 2.251 2.070 2.398 . 0 0 "[ . 1 . 2]" 1
1328 1 57 ALA H 1 58 PRO HD2 . . 5.160 4.811 4.776 4.836 . 0 0 "[ . 1 . 2]" 1
1329 1 57 ALA H 1 58 PRO HD3 . . 5.170 4.999 4.960 5.046 . 0 0 "[ . 1 . 2]" 1
1330 1 57 ALA HA 1 58 PRO HB3 . . 5.500 4.835 4.830 4.845 . 0 0 "[ . 1 . 2]" 1
1331 1 57 ALA HA 1 58 PRO HD2 . . 3.160 2.306 2.247 2.390 . 0 0 "[ . 1 . 2]" 1
1332 1 57 ALA HA 1 58 PRO HD3 . . 3.110 2.271 2.258 2.295 . 0 0 "[ . 1 . 2]" 1
1333 1 57 ALA HA 1 58 PRO QG . . 4.020 3.945 3.910 3.995 . 0 0 "[ . 1 . 2]" 1
1334 1 57 ALA HA 1 59 ASP H . . 4.340 4.123 3.990 4.315 . 0 0 "[ . 1 . 2]" 1
1335 1 57 ALA MB 1 58 PRO HD2 . . 3.260 2.172 2.008 2.311 . 0 0 "[ . 1 . 2]" 1
1336 1 57 ALA MB 1 58 PRO HD3 . . 3.450 3.365 3.265 3.453 0.003 14 0 "[ . 1 . 2]" 1
1337 1 57 ALA MB 1 58 PRO QG . . 4.300 3.655 3.538 3.739 . 0 0 "[ . 1 . 2]" 1
1338 1 57 ALA MB 1 59 ASP H . . 3.330 2.789 2.342 3.109 . 0 0 "[ . 1 . 2]" 1
1339 1 57 ALA MB 1 60 PRO HA . . 4.320 3.237 3.141 3.415 . 0 0 "[ . 1 . 2]" 1
1340 1 57 ALA MB 1 62 CYS H . . 5.290 5.204 5.113 5.293 0.003 18 0 "[ . 1 . 2]" 1
1341 1 58 PRO HB2 1 59 ASP H . . 3.610 3.305 3.050 3.496 . 0 0 "[ . 1 . 2]" 1
1342 1 58 PRO HB2 1 59 ASP HA . . 4.930 4.432 4.275 4.535 . 0 0 "[ . 1 . 2]" 1
1343 1 58 PRO HB3 1 59 ASP H . . 4.430 4.124 3.975 4.235 . 0 0 "[ . 1 . 2]" 1
1344 1 58 PRO HD2 1 59 ASP H . . 3.700 2.659 2.646 2.693 . 0 0 "[ . 1 . 2]" 1
1345 1 58 PRO HD3 1 59 ASP H . . 4.020 3.841 3.835 3.853 . 0 0 "[ . 1 . 2]" 1
1346 1 58 PRO QG 1 59 ASP H . . 3.550 2.323 2.045 2.555 . 0 0 "[ . 1 . 2]" 1
1347 1 59 ASP H 1 59 ASP HB2 . . 3.920 2.747 2.373 3.735 . 0 0 "[ . 1 . 2]" 1
1348 1 59 ASP H 1 59 ASP QB . . 3.190 2.631 2.341 3.191 0.001 6 0 "[ . 1 . 2]" 1
1349 1 59 ASP H 1 59 ASP HB3 . . 3.920 3.684 3.401 3.833 . 0 0 "[ . 1 . 2]" 1
1350 1 59 ASP H 1 60 PRO HD2 . . 4.730 4.345 4.278 4.437 . 0 0 "[ . 1 . 2]" 1
1351 1 59 ASP H 1 60 PRO QD . . 3.960 3.531 3.440 3.657 . 0 0 "[ . 1 . 2]" 1
1352 1 59 ASP H 1 60 PRO HD3 . . 4.730 3.738 3.626 3.894 . 0 0 "[ . 1 . 2]" 1
1353 1 59 ASP HA 1 60 PRO HD2 . . 3.300 1.938 1.926 1.944 . 0 0 "[ . 1 . 2]" 1
1354 1 59 ASP HA 1 60 PRO HD3 . . 3.300 2.642 2.602 2.659 . 0 0 "[ . 1 . 2]" 1
1355 1 59 ASP HA 1 60 PRO HG2 . . 4.700 4.124 4.119 4.128 . 0 0 "[ . 1 . 2]" 1
1356 1 59 ASP HA 1 60 PRO HG3 . . 4.410 4.465 4.439 4.476 0.066 7 0 "[ . 1 . 2]" 1
1357 1 59 ASP HA 1 61 ASN H . . 4.090 3.209 3.199 3.234 . 0 0 "[ . 1 . 2]" 1
1358 1 59 ASP QB 1 60 PRO QD . . 3.870 3.581 3.470 3.669 . 0 0 "[ . 1 . 2]" 1
1359 1 59 ASP QB 1 61 ASN H . . 4.420 2.970 2.893 3.064 . 0 0 "[ . 1 . 2]" 1
1360 1 59 ASP HB2 1 60 PRO HD2 . . 5.230 4.669 4.053 4.804 . 0 0 "[ . 1 . 2]" 1
1361 1 59 ASP HB2 1 60 PRO HD3 . . 5.230 5.072 4.901 5.119 . 0 0 "[ . 1 . 2]" 1
1362 1 59 ASP HB3 1 60 PRO HD2 . . 5.230 4.018 3.906 4.174 . 0 0 "[ . 1 . 2]" 1
1363 1 59 ASP HB3 1 60 PRO HD3 . . 5.230 4.890 4.864 4.928 . 0 0 "[ . 1 . 2]" 1
1364 1 60 PRO HA 1 62 CYS H . . 4.110 3.812 3.743 3.885 . 0 0 "[ . 1 . 2]" 1
1365 1 60 PRO QB 1 61 ASN H . . 3.970 3.676 3.630 3.727 . 0 0 "[ . 1 . 2]" 1
1366 1 60 PRO QB 1 61 ASN QD . . 4.580 3.895 2.605 4.444 . 0 0 "[ . 1 . 2]" 1
1367 1 60 PRO QB 1 62 CYS H . . 5.340 4.915 4.870 4.972 . 0 0 "[ . 1 . 2]" 1
1368 1 60 PRO HB2 1 61 ASN H . . 4.590 3.909 3.851 3.973 . 0 0 "[ . 1 . 2]" 1
1369 1 60 PRO HB3 1 61 ASN H . . 4.590 4.473 4.441 4.510 . 0 0 "[ . 1 . 2]" 1
1370 1 60 PRO QD 1 61 ASN H . . 3.420 2.885 2.826 2.958 . 0 0 "[ . 1 . 2]" 1
1371 1 60 PRO HD2 1 61 ASN H . . 4.050 2.958 2.892 3.040 . 0 0 "[ . 1 . 2]" 1
1372 1 60 PRO HD3 1 61 ASN H . . 4.050 4.007 3.972 4.050 . 0 0 "[ . 1 . 2]" 1
1373 1 60 PRO HG2 1 61 ASN H . . 4.500 3.242 3.137 3.364 . 0 0 "[ . 1 . 2]" 1
1374 1 60 PRO HG2 1 61 ASN HD21 . . 5.500 2.955 2.300 3.607 . 0 0 "[ . 1 . 2]" 1
1375 1 60 PRO HG2 1 61 ASN QD . . 4.830 2.634 2.077 3.105 . 0 0 "[ . 1 . 2]" 1
1376 1 60 PRO HG2 1 61 ASN HD22 . . 5.500 3.086 2.109 3.554 . 0 0 "[ . 1 . 2]" 1
1377 1 60 PRO HG2 1 62 CYS H . . 5.500 5.311 5.246 5.394 . 0 0 "[ . 1 . 2]" 1
1378 1 60 PRO HG3 1 61 ASN H . . 4.750 4.538 4.458 4.631 . 0 0 "[ . 1 . 2]" 1
1379 1 61 ASN H 1 61 ASN HB2 . . 3.940 3.460 2.598 3.669 . 0 0 "[ . 1 . 2]" 1
1380 1 61 ASN H 1 61 ASN QB . . 3.100 3.024 2.553 3.113 0.013 14 0 "[ . 1 . 2]" 1
1381 1 61 ASN H 1 61 ASN HB3 . . 3.940 3.451 3.328 3.828 . 0 0 "[ . 1 . 2]" 1
1382 1 61 ASN H 1 61 ASN HD21 . . 4.280 3.454 2.725 3.876 . 0 0 "[ . 1 . 2]" 1
1383 1 61 ASN H 1 61 ASN QD . . 3.630 3.129 2.685 3.401 . 0 0 "[ . 1 . 2]" 1
1384 1 61 ASN H 1 61 ASN HD22 . . 4.280 3.647 3.292 4.120 . 0 0 "[ . 1 . 2]" 1
1385 1 61 ASN H 1 62 CYS H . . 3.260 2.189 2.071 2.281 . 0 0 "[ . 1 . 2]" 1
1386 1 61 ASN H 1 62 CYS HB2 . . 4.140 3.912 3.771 4.069 . 0 0 "[ . 1 . 2]" 1
1387 1 61 ASN H 1 62 CYS HB3 . . 4.710 4.359 4.188 4.539 . 0 0 "[ . 1 . 2]" 1
1388 1 61 ASN HA 1 62 CYS H . . 3.320 3.133 3.109 3.171 . 0 0 "[ . 1 . 2]" 1
1389 1 61 ASN QB 1 62 CYS H . . 3.920 3.844 3.555 3.920 0.000 11 0 "[ . 1 . 2]" 1
1390 1 61 ASN HB2 1 62 CYS H . . 4.610 4.139 3.735 4.261 . 0 0 "[ . 1 . 2]" 1
1391 1 61 ASN HB3 1 62 CYS H . . 4.610 4.571 4.398 4.615 0.005 16 0 "[ . 1 . 2]" 1
1392 1 62 CYS H 1 62 CYS HB2 . . 3.300 2.922 2.816 3.049 . 0 0 "[ . 1 . 2]" 1
1393 1 62 CYS H 1 62 CYS HB3 . . 3.400 2.861 2.733 2.964 . 0 0 "[ . 1 . 2]" 1
1394 1 62 CYS H 1 63 VAL H . . 4.460 4.413 4.380 4.443 . 0 0 "[ . 1 . 2]" 1
1395 1 62 CYS H 1 63 VAL MG1 . . 4.840 4.152 4.020 4.334 . 0 0 "[ . 1 . 2]" 1
1396 1 62 CYS HA 1 63 VAL H . . 3.070 2.215 2.188 2.245 . 0 0 "[ . 1 . 2]" 1
1397 1 62 CYS HA 1 63 VAL MG1 . . 4.970 3.447 3.217 3.628 . 0 0 "[ . 1 . 2]" 1
1398 1 62 CYS HA 1 63 VAL MG2 . . 4.940 3.893 3.747 4.097 . 0 0 "[ . 1 . 2]" 1
1399 1 62 CYS HB2 1 63 VAL H . . 4.270 4.205 4.071 4.256 . 0 0 "[ . 1 . 2]" 1
1400 1 62 CYS HB3 1 63 VAL H . . 3.930 3.804 3.630 3.929 . 0 0 "[ . 1 . 2]" 1
1401 1 63 VAL H 1 63 VAL HB . . 3.910 3.801 3.755 3.840 . 0 0 "[ . 1 . 2]" 1
1402 1 63 VAL H 1 63 VAL MG1 . . 4.000 2.701 2.445 2.921 . 0 0 "[ . 1 . 2]" 1
1403 1 63 VAL H 1 63 VAL MG2 . . 3.570 2.182 2.016 2.291 . 0 0 "[ . 1 . 2]" 1
1404 1 63 VAL H 1 64 THR H . . 4.520 4.453 4.336 4.512 . 0 0 "[ . 1 . 2]" 1
1405 1 63 VAL HA 1 63 VAL MG1 . . 3.500 2.422 2.298 2.534 . 0 0 "[ . 1 . 2]" 1
1406 1 63 VAL HA 1 64 THR H . . 3.000 2.242 2.148 2.330 . 0 0 "[ . 1 . 2]" 1
1407 1 63 VAL HA 1 64 THR HB . . 4.870 4.596 4.464 4.674 . 0 0 "[ . 1 . 2]" 1
1408 1 63 VAL HB 1 64 THR H . . 3.430 2.860 2.575 3.296 . 0 0 "[ . 1 . 2]" 1
1409 1 63 VAL HB 1 65 VAL MG2 . . 4.960 3.646 3.469 3.799 . 0 0 "[ . 1 . 2]" 1
1410 1 63 VAL MG1 1 64 THR H . . 4.180 3.926 3.720 4.053 . 0 0 "[ . 1 . 2]" 1
1411 1 63 VAL MG1 1 65 VAL MG2 . . 4.530 4.364 4.248 4.496 . 0 0 "[ . 1 . 2]" 1
1412 1 63 VAL MG1 1 79 ILE MD . . 4.390 4.257 3.879 4.390 0.000 7 0 "[ . 1 . 2]" 1
1413 1 63 VAL MG1 1 79 ILE MG . . 4.830 3.917 3.685 4.128 . 0 0 "[ . 1 . 2]" 1
1414 1 63 VAL MG2 1 64 THR H . . 4.030 3.636 3.377 3.922 . 0 0 "[ . 1 . 2]" 1
1415 1 63 VAL MG2 1 65 VAL MG2 . . 3.240 2.248 2.013 2.580 . 0 0 "[ . 1 . 2]" 1
1416 1 63 VAL MG2 1 79 ILE MD . . 3.720 2.821 2.497 2.996 . 0 0 "[ . 1 . 2]" 1
1417 1 64 THR H 1 64 THR HB . . 3.390 2.516 2.361 2.597 . 0 0 "[ . 1 . 2]" 1
1418 1 64 THR H 1 64 THR MG . . 4.130 3.797 3.715 3.840 . 0 0 "[ . 1 . 2]" 1
1419 1 64 THR H 1 65 VAL H . . 4.670 4.216 4.091 4.357 . 0 0 "[ . 1 . 2]" 1
1420 1 64 THR HA 1 64 THR MG . . 3.390 2.387 2.277 2.492 . 0 0 "[ . 1 . 2]" 1
1421 1 64 THR HA 1 65 VAL H . . 3.060 2.169 2.146 2.194 . 0 0 "[ . 1 . 2]" 1
1422 1 64 THR HA 1 65 VAL HA . . 4.600 4.420 4.402 4.439 . 0 0 "[ . 1 . 2]" 1
1423 1 64 THR HA 1 65 VAL HB . . 4.900 4.676 4.587 4.727 . 0 0 "[ . 1 . 2]" 1
1424 1 64 THR HA 1 65 VAL MG2 . . 4.440 3.848 3.619 4.048 . 0 0 "[ . 1 . 2]" 1
1425 1 64 THR HB 1 65 VAL H . . 4.570 4.421 4.349 4.491 . 0 0 "[ . 1 . 2]" 1
1426 1 64 THR MG 1 65 VAL H . . 3.470 3.030 2.862 3.222 . 0 0 "[ . 1 . 2]" 1
1427 1 65 VAL H 1 65 VAL HB . . 3.550 2.526 2.465 2.603 . 0 0 "[ . 1 . 2]" 1
1428 1 65 VAL H 1 65 VAL MG1 . . 4.480 3.797 3.770 3.834 . 0 0 "[ . 1 . 2]" 1
1429 1 65 VAL H 1 65 VAL MG2 . . 3.440 2.473 2.271 2.766 . 0 0 "[ . 1 . 2]" 1
1430 1 65 VAL H 1 66 THR H . . 4.780 4.456 4.387 4.540 . 0 0 "[ . 1 . 2]" 1
1431 1 65 VAL HA 1 65 VAL MG1 . . 3.490 2.413 2.288 2.463 . 0 0 "[ . 1 . 2]" 1
1432 1 65 VAL HA 1 65 VAL MG2 . . 3.480 2.344 2.206 2.470 . 0 0 "[ . 1 . 2]" 1
1433 1 65 VAL HA 1 66 THR H . . 3.100 2.153 2.139 2.198 . 0 0 "[ . 1 . 2]" 1
1434 1 65 VAL HA 1 66 THR HA . . 4.430 4.389 4.385 4.394 . 0 0 "[ . 1 . 2]" 1
1435 1 65 VAL HB 1 66 THR H . . 4.400 4.185 3.964 4.288 . 0 0 "[ . 1 . 2]" 1
1436 1 65 VAL HB 1 72 VAL MG1 . . 3.190 2.680 2.304 3.120 . 0 0 "[ . 1 . 2]" 1
1437 1 65 VAL MG1 1 66 THR H . . 3.490 2.513 2.231 2.846 . 0 0 "[ . 1 . 2]" 1
1438 1 65 VAL MG1 1 66 THR HA . . 4.870 3.758 3.570 3.915 . 0 0 "[ . 1 . 2]" 1
1439 1 65 VAL MG1 1 72 VAL HA . . 3.470 2.920 2.678 3.164 . 0 0 "[ . 1 . 2]" 1
1440 1 65 VAL MG1 1 75 ALA H . . 5.150 4.962 4.762 5.112 . 0 0 "[ . 1 . 2]" 1
1441 1 65 VAL MG1 1 75 ALA MB . . 3.230 2.766 2.596 2.889 . 0 0 "[ . 1 . 2]" 1
1442 1 65 VAL MG1 1 76 ILE H . . 4.810 4.350 4.094 4.674 . 0 0 "[ . 1 . 2]" 1
1443 1 65 VAL MG2 1 66 THR H . . 4.080 4.016 3.934 4.080 0.000 20 0 "[ . 1 . 2]" 1
1444 1 65 VAL MG2 1 76 ILE HA . . 4.400 4.087 3.764 4.376 . 0 0 "[ . 1 . 2]" 1
1445 1 66 THR H 1 66 THR HB . . 3.500 2.782 2.678 2.870 . 0 0 "[ . 1 . 2]" 1
1446 1 66 THR H 1 66 THR MG . . 3.990 3.854 3.816 3.894 . 0 0 "[ . 1 . 2]" 1
1447 1 66 THR H 1 72 VAL MG2 . . 4.940 4.282 4.081 4.510 . 0 0 "[ . 1 . 2]" 1
1448 1 66 THR HA 1 66 THR MG . . 3.350 2.218 2.098 2.322 . 0 0 "[ . 1 . 2]" 1
1449 1 66 THR HA 1 67 GLY H . . 2.970 2.335 2.247 2.387 . 0 0 "[ . 1 . 2]" 1
1450 1 66 THR HA 1 67 GLY HA2 . . 5.090 4.599 4.530 4.637 . 0 0 "[ . 1 . 2]" 1
1451 1 66 THR HA 1 67 GLY QA . . 4.480 3.995 3.958 4.016 . 0 0 "[ . 1 . 2]" 1
1452 1 66 THR HA 1 67 GLY HA3 . . 5.090 4.388 4.366 4.404 . 0 0 "[ . 1 . 2]" 1
1453 1 66 THR HA 1 72 VAL MG2 . . 3.910 3.550 3.434 3.656 . 0 0 "[ . 1 . 2]" 1
1454 1 66 THR HB 1 67 GLY H . . 4.370 3.484 3.288 3.775 . 0 0 "[ . 1 . 2]" 1
1455 1 66 THR MG 1 67 GLY H . . 3.360 1.996 1.876 2.246 . 0 0 "[ . 1 . 2]" 1
1456 1 66 THR MG 1 72 VAL MG2 . . 4.460 4.401 4.272 4.458 . 0 0 "[ . 1 . 2]" 1
1457 1 67 GLY H 1 68 LEU H . . 4.750 4.345 4.286 4.397 . 0 0 "[ . 1 . 2]" 1
1458 1 67 GLY H 1 72 VAL MG2 . . 3.580 3.398 3.166 3.556 . 0 0 "[ . 1 . 2]" 1
1459 1 67 GLY QA 1 72 VAL MG2 . . 3.500 2.653 2.478 2.840 . 0 0 "[ . 1 . 2]" 1
1460 1 67 GLY HA2 1 72 VAL MG2 . . 4.090 3.842 3.694 4.034 . 0 0 "[ . 1 . 2]" 1
1461 1 67 GLY HA3 1 72 VAL MG2 . . 4.090 2.705 2.517 2.902 . 0 0 "[ . 1 . 2]" 1
1462 1 68 LEU H 1 68 LEU HB2 . . 3.730 2.411 2.322 2.532 . 0 0 "[ . 1 . 2]" 1
1463 1 68 LEU H 1 68 LEU QB . . 3.210 2.375 2.294 2.483 . 0 0 "[ . 1 . 2]" 1
1464 1 68 LEU H 1 68 LEU HB3 . . 3.730 3.580 3.556 3.605 . 0 0 "[ . 1 . 2]" 1
1465 1 68 LEU H 1 68 LEU MD1 . . 4.070 3.333 2.605 3.612 . 0 0 "[ . 1 . 2]" 1
1466 1 68 LEU H 1 68 LEU MD2 . . 3.650 1.824 1.757 1.898 . 0 0 "[ . 1 . 2]" 1
1467 1 68 LEU H 1 69 PRO HD3 . . 5.110 4.980 4.911 5.025 . 0 0 "[ . 1 . 2]" 1
1468 1 68 LEU H 1 71 ASN H . . 4.640 4.500 4.335 4.627 . 0 0 "[ . 1 . 2]" 1
1469 1 68 LEU H 1 71 ASN HB2 . . 4.500 3.441 3.299 3.654 . 0 0 "[ . 1 . 2]" 1
1470 1 68 LEU H 1 71 ASN HB3 . . 5.220 4.875 4.597 5.162 . 0 0 "[ . 1 . 2]" 1
1471 1 68 LEU H 1 71 ASN HD21 . . 5.170 3.398 3.058 3.676 . 0 0 "[ . 1 . 2]" 1
1472 1 68 LEU H 1 71 ASN QD . . 4.430 3.340 3.019 3.600 . 0 0 "[ . 1 . 2]" 1
1473 1 68 LEU H 1 71 ASN HD22 . . 5.170 4.943 4.664 5.149 . 0 0 "[ . 1 . 2]" 1
1474 1 68 LEU H 1 72 VAL H . . 5.500 4.633 4.370 4.859 . 0 0 "[ . 1 . 2]" 1
1475 1 68 LEU H 1 72 VAL MG2 . . 4.890 3.750 3.557 4.015 . 0 0 "[ . 1 . 2]" 1
1476 1 68 LEU HA 1 68 LEU MD1 . . 3.130 2.013 1.895 2.171 . 0 0 "[ . 1 . 2]" 1
1477 1 68 LEU HA 1 68 LEU MD2 . . 4.120 2.813 2.608 3.346 . 0 0 "[ . 1 . 2]" 1
1478 1 68 LEU HA 1 69 PRO HD2 . . 3.590 2.388 2.314 2.436 . 0 0 "[ . 1 . 2]" 1
1479 1 68 LEU HA 1 69 PRO HD3 . . 3.510 2.296 2.271 2.315 . 0 0 "[ . 1 . 2]" 1
1480 1 68 LEU HA 1 69 PRO HG2 . . 4.690 4.502 4.443 4.542 . 0 0 "[ . 1 . 2]" 1
1481 1 68 LEU HA 1 69 PRO HG3 . . 4.630 4.465 4.423 4.495 . 0 0 "[ . 1 . 2]" 1
1482 1 68 LEU HA 1 70 GLU H . . 4.710 3.960 3.870 4.049 . 0 0 "[ . 1 . 2]" 1
1483 1 68 LEU HA 1 72 VAL MG2 . . 4.590 4.182 3.966 4.360 . 0 0 "[ . 1 . 2]" 1
1484 1 68 LEU QB 1 68 LEU MD1 . . 3.230 2.302 2.193 2.483 . 0 0 "[ . 1 . 2]" 1
1485 1 68 LEU QB 1 68 LEU MD2 . . 3.010 2.213 1.997 2.309 . 0 0 "[ . 1 . 2]" 1
1486 1 68 LEU QB 1 69 PRO HD2 . . 3.650 2.096 1.994 2.294 . 0 0 "[ . 1 . 2]" 1
1487 1 68 LEU QB 1 69 PRO HD3 . . 4.080 3.445 3.365 3.594 . 0 0 "[ . 1 . 2]" 1
1488 1 68 LEU QB 1 70 GLU H . . 3.830 2.330 2.254 2.415 . 0 0 "[ . 1 . 2]" 1
1489 1 68 LEU QB 1 71 ASN H . . 3.600 2.618 2.504 2.732 . 0 0 "[ . 1 . 2]" 1
1490 1 68 LEU QB 1 71 ASN HB2 . . 4.260 2.598 2.188 2.871 . 0 0 "[ . 1 . 2]" 1
1491 1 68 LEU QB 1 71 ASN QD . . 3.770 2.398 2.079 2.877 . 0 0 "[ . 1 . 2]" 1
1492 1 68 LEU QB 1 72 VAL H . . 5.340 3.882 3.780 3.995 . 0 0 "[ . 1 . 2]" 1
1493 1 68 LEU HB2 1 68 LEU MD2 . . 3.500 2.258 2.021 2.369 . 0 0 "[ . 1 . 2]" 1
1494 1 68 LEU HB2 1 69 PRO HD2 . . 4.200 3.697 3.619 3.843 . 0 0 "[ . 1 . 2]" 1
1495 1 68 LEU HB2 1 69 PRO HD3 . . 4.890 4.743 4.693 4.831 . 0 0 "[ . 1 . 2]" 1
1496 1 68 LEU HB2 1 70 GLU H . . 4.390 3.408 3.259 3.562 . 0 0 "[ . 1 . 2]" 1
1497 1 68 LEU HB2 1 71 ASN H . . 4.150 2.822 2.709 2.950 . 0 0 "[ . 1 . 2]" 1
1498 1 68 LEU HB2 1 71 ASN HB2 . . 5.140 2.631 2.206 2.918 . 0 0 "[ . 1 . 2]" 1
1499 1 68 LEU HB3 1 68 LEU MD2 . . 3.500 3.182 3.119 3.196 . 0 0 "[ . 1 . 2]" 1
1500 1 68 LEU HB3 1 69 PRO HD2 . . 4.200 2.108 2.003 2.312 . 0 0 "[ . 1 . 2]" 1
1501 1 68 LEU HB3 1 69 PRO HD3 . . 4.890 3.538 3.448 3.707 . 0 0 "[ . 1 . 2]" 1
1502 1 68 LEU HB3 1 70 GLU H . . 4.390 2.373 2.295 2.482 . 0 0 "[ . 1 . 2]" 1
1503 1 68 LEU HB3 1 71 ASN H . . 4.150 3.110 2.909 3.301 . 0 0 "[ . 1 . 2]" 1
1504 1 68 LEU HB3 1 71 ASN HB2 . . 5.140 4.030 3.631 4.260 . 0 0 "[ . 1 . 2]" 1
1505 1 68 LEU MD1 1 69 PRO HD2 . . 3.500 2.082 1.983 2.713 . 0 0 "[ . 1 . 2]" 1
1506 1 68 LEU MD1 1 69 PRO HD3 . . 3.410 2.823 2.581 3.201 . 0 0 "[ . 1 . 2]" 1
1507 1 68 LEU MD1 1 70 GLU QG . . 4.850 3.804 3.489 4.215 . 0 0 "[ . 1 . 2]" 1
1508 1 68 LEU MD1 1 71 ASN H . . 5.500 4.963 4.824 5.116 . 0 0 "[ . 1 . 2]" 1
1509 1 68 LEU MD2 1 70 GLU HG2 . . 5.440 4.577 4.143 5.399 . 0 0 "[ . 1 . 2]" 1
1510 1 68 LEU MD2 1 70 GLU QG . . 4.770 4.186 3.861 4.372 . 0 0 "[ . 1 . 2]" 1
1511 1 68 LEU MD2 1 70 GLU HG3 . . 5.440 4.934 4.525 5.377 . 0 0 "[ . 1 . 2]" 1
1512 1 68 LEU MD2 1 71 ASN H . . 5.500 4.629 4.257 4.734 . 0 0 "[ . 1 . 2]" 1
1513 1 68 LEU MD2 1 71 ASN HD21 . . 4.080 2.593 2.127 2.874 . 0 0 "[ . 1 . 2]" 1
1514 1 68 LEU MD2 1 71 ASN QD . . 3.530 2.526 2.075 2.774 . 0 0 "[ . 1 . 2]" 1
1515 1 68 LEU MD2 1 71 ASN HD22 . . 4.080 3.508 2.884 3.847 . 0 0 "[ . 1 . 2]" 1
1516 1 68 LEU HG 1 69 PRO HD2 . . 4.630 3.865 3.535 3.983 . 0 0 "[ . 1 . 2]" 1
1517 1 68 LEU HG 1 69 PRO HD3 . . 5.270 5.176 4.879 5.270 . 14 0 "[ . 1 . 2]" 1
1518 1 68 LEU HG 1 70 GLU H . . 4.860 4.665 4.518 4.728 . 0 0 "[ . 1 . 2]" 1
1519 1 69 PRO HA 1 71 ASN H . . 4.470 4.289 4.200 4.397 . 0 0 "[ . 1 . 2]" 1
1520 1 69 PRO HA 1 72 VAL H . . 4.040 3.726 3.618 3.873 . 0 0 "[ . 1 . 2]" 1
1521 1 69 PRO HA 1 72 VAL HB . . 3.460 2.804 2.586 2.955 . 0 0 "[ . 1 . 2]" 1
1522 1 69 PRO HA 1 72 VAL MG1 . . 4.210 4.054 3.857 4.204 . 0 0 "[ . 1 . 2]" 1
1523 1 69 PRO HA 1 72 VAL MG2 . . 3.580 3.286 2.814 3.554 . 0 0 "[ . 1 . 2]" 1
1524 1 69 PRO HA 1 73 GLU H . . 4.250 3.854 3.587 4.035 . 0 0 "[ . 1 . 2]" 1
1525 1 69 PRO HB2 1 70 GLU H . . 3.790 3.632 3.497 3.732 . 0 0 "[ . 1 . 2]" 1
1526 1 69 PRO HB2 1 70 GLU HA . . 4.970 4.223 4.177 4.265 . 0 0 "[ . 1 . 2]" 1
1527 1 69 PRO HD2 1 70 GLU H . . 4.010 2.728 2.670 2.787 . 0 0 "[ . 1 . 2]" 1
1528 1 69 PRO HD3 1 70 GLU H . . 5.000 3.886 3.854 3.918 . 0 0 "[ . 1 . 2]" 1
1529 1 69 PRO HG2 1 70 GLU H . . 3.550 2.780 2.583 2.935 . 0 0 "[ . 1 . 2]" 1
1530 1 69 PRO HG3 1 70 GLU H . . 4.350 4.188 4.040 4.305 . 0 0 "[ . 1 . 2]" 1
1531 1 70 GLU H 1 70 GLU QB . . 2.920 2.665 2.435 2.836 . 0 0 "[ . 1 . 2]" 1
1532 1 70 GLU H 1 70 GLU HG2 . . 3.980 2.179 1.929 3.455 . 0 0 "[ . 1 . 2]" 1
1533 1 70 GLU H 1 70 GLU QG . . 3.270 2.035 1.908 2.420 . 0 0 "[ . 1 . 2]" 1
1534 1 70 GLU H 1 70 GLU HG3 . . 3.980 3.061 1.974 3.497 . 0 0 "[ . 1 . 2]" 1
1535 1 70 GLU H 1 71 ASN H . . 3.330 2.280 2.221 2.362 . 0 0 "[ . 1 . 2]" 1
1536 1 70 GLU H 1 72 VAL H . . 4.520 3.854 3.743 4.016 . 0 0 "[ . 1 . 2]" 1
1537 1 70 GLU HA 1 70 GLU QG . . 3.570 3.352 3.337 3.437 . 0 0 "[ . 1 . 2]" 1
1538 1 70 GLU HA 1 72 VAL H . . 4.890 4.701 4.468 4.884 . 0 0 "[ . 1 . 2]" 1
1539 1 70 GLU HA 1 73 GLU H . . 4.440 4.188 3.901 4.421 . 0 0 "[ . 1 . 2]" 1
1540 1 70 GLU HA 1 73 GLU QG . . 3.960 2.795 2.169 3.233 . 0 0 "[ . 1 . 2]" 1
1541 1 70 GLU HA 1 74 GLU H . . 5.060 4.894 4.722 5.056 . 0 0 "[ . 1 . 2]" 1
1542 1 70 GLU QB 1 71 ASN H . . 3.590 3.545 3.486 3.591 0.001 17 0 "[ . 1 . 2]" 1
1543 1 70 GLU QG 1 71 ASN H . . 3.450 2.286 2.103 2.426 . 0 0 "[ . 1 . 2]" 1
1544 1 70 GLU QG 1 72 VAL H . . 4.790 4.360 4.230 4.481 . 0 0 "[ . 1 . 2]" 1
1545 1 70 GLU HG2 1 71 ASN H . . 4.290 2.817 2.202 3.941 . 0 0 "[ . 1 . 2]" 1
1546 1 70 GLU HG3 1 71 ASN H . . 4.290 2.617 2.113 3.902 . 0 0 "[ . 1 . 2]" 1
1547 1 71 ASN H 1 71 ASN HB2 . . 3.340 2.339 2.229 2.402 . 0 0 "[ . 1 . 2]" 1
1548 1 71 ASN H 1 71 ASN HB3 . . 3.780 3.588 3.521 3.617 . 0 0 "[ . 1 . 2]" 1
1549 1 71 ASN H 1 71 ASN QD . . 4.390 3.627 3.328 3.945 . 0 0 "[ . 1 . 2]" 1
1550 1 71 ASN H 1 72 VAL H . . 3.000 2.335 2.255 2.411 . 0 0 "[ . 1 . 2]" 1
1551 1 71 ASN H 1 72 VAL HB . . 4.680 4.418 4.298 4.539 . 0 0 "[ . 1 . 2]" 1
1552 1 71 ASN H 1 72 VAL MG2 . . 4.380 3.969 3.727 4.234 . 0 0 "[ . 1 . 2]" 1
1553 1 71 ASN H 1 73 GLU H . . 4.300 4.170 4.052 4.301 0.001 14 0 "[ . 1 . 2]" 1
1554 1 71 ASN HA 1 71 ASN QD . . 4.640 3.981 3.888 4.046 . 0 0 "[ . 1 . 2]" 1
1555 1 71 ASN HA 1 74 GLU H . . 4.210 3.624 3.400 3.804 . 0 0 "[ . 1 . 2]" 1
1556 1 71 ASN HA 1 74 GLU QB . . 4.240 3.061 2.752 3.439 . 0 0 "[ . 1 . 2]" 1
1557 1 71 ASN HA 1 74 GLU HG2 . . 5.200 4.214 3.092 5.090 . 0 0 "[ . 1 . 2]" 1
1558 1 71 ASN HA 1 74 GLU QG . . 4.470 3.218 2.916 3.734 . 0 0 "[ . 1 . 2]" 1
1559 1 71 ASN HA 1 74 GLU HG3 . . 5.200 3.498 2.963 3.989 . 0 0 "[ . 1 . 2]" 1
1560 1 71 ASN HA 1 75 ALA H . . 4.790 4.405 4.182 4.557 . 0 0 "[ . 1 . 2]" 1
1561 1 71 ASN HB2 1 72 VAL H . . 3.770 2.696 2.519 2.837 . 0 0 "[ . 1 . 2]" 1
1562 1 71 ASN HB2 1 72 VAL MG2 . . 4.610 3.502 3.314 3.783 . 0 0 "[ . 1 . 2]" 1
1563 1 71 ASN HB3 1 72 VAL H . . 3.990 3.521 3.317 3.731 . 0 0 "[ . 1 . 2]" 1
1564 1 72 VAL H 1 72 VAL HB . . 3.190 2.469 2.367 2.621 . 0 0 "[ . 1 . 2]" 1
1565 1 72 VAL H 1 72 VAL MG1 . . 3.860 3.749 3.724 3.768 . 0 0 "[ . 1 . 2]" 1
1566 1 72 VAL H 1 72 VAL MG2 . . 2.980 2.241 2.026 2.545 . 0 0 "[ . 1 . 2]" 1
1567 1 72 VAL H 1 73 GLU H . . 3.420 2.863 2.710 3.015 . 0 0 "[ . 1 . 2]" 1
1568 1 72 VAL H 1 75 ALA MB . . 4.990 4.588 4.458 4.775 . 0 0 "[ . 1 . 2]" 1
1569 1 72 VAL HA 1 72 VAL MG1 . . 3.260 2.453 2.391 2.492 . 0 0 "[ . 1 . 2]" 1
1570 1 72 VAL HA 1 72 VAL MG2 . . 3.240 2.336 2.123 2.413 . 0 0 "[ . 1 . 2]" 1
1571 1 72 VAL HA 1 74 GLU H . . 4.870 4.343 4.173 4.511 . 0 0 "[ . 1 . 2]" 1
1572 1 72 VAL HA 1 75 ALA H . . 4.220 3.335 3.236 3.490 . 0 0 "[ . 1 . 2]" 1
1573 1 72 VAL HA 1 75 ALA MB . . 3.600 2.431 2.242 2.738 . 0 0 "[ . 1 . 2]" 1
1574 1 72 VAL HA 1 76 ILE H . . 4.710 4.021 3.733 4.191 . 0 0 "[ . 1 . 2]" 1
1575 1 72 VAL HB 1 73 GLU H . . 3.190 2.405 2.213 2.593 . 0 0 "[ . 1 . 2]" 1
1576 1 72 VAL MG1 1 73 GLU H . . 3.490 3.086 2.864 3.277 . 0 0 "[ . 1 . 2]" 1
1577 1 72 VAL MG1 1 73 GLU HA . . 3.900 3.264 3.066 3.471 . 0 0 "[ . 1 . 2]" 1
1578 1 72 VAL MG1 1 74 GLU H . . 4.880 4.751 4.595 4.875 . 0 0 "[ . 1 . 2]" 1
1579 1 72 VAL MG1 1 75 ALA MB . . 3.930 3.364 3.156 3.608 . 0 0 "[ . 1 . 2]" 1
1580 1 72 VAL MG1 1 76 ILE H . . 3.670 3.490 3.317 3.662 . 0 0 "[ . 1 . 2]" 1
1581 1 72 VAL MG1 1 76 ILE HG13 . . 3.570 2.411 2.115 2.646 . 0 0 "[ . 1 . 2]" 1
1582 1 72 VAL MG2 1 73 GLU H . . 4.180 3.841 3.716 3.970 . 0 0 "[ . 1 . 2]" 1
1583 1 73 GLU H 1 73 GLU HB2 . . 3.660 3.588 3.555 3.606 . 0 0 "[ . 1 . 2]" 1
1584 1 73 GLU H 1 73 GLU HB3 . . 3.010 2.448 2.299 2.559 . 0 0 "[ . 1 . 2]" 1
1585 1 73 GLU H 1 73 GLU HG2 . . 3.800 2.325 2.130 2.634 . 0 0 "[ . 1 . 2]" 1
1586 1 73 GLU H 1 73 GLU HG3 . . 3.800 3.543 3.072 3.800 . 0 0 "[ . 1 . 2]" 1
1587 1 73 GLU H 1 74 GLU H . . 3.460 2.897 2.768 3.020 . 0 0 "[ . 1 . 2]" 1
1588 1 73 GLU H 1 75 ALA H . . 4.630 4.311 4.052 4.535 . 0 0 "[ . 1 . 2]" 1
1589 1 73 GLU HA 1 73 GLU HG2 . . 3.860 3.734 3.663 3.817 . 0 0 "[ . 1 . 2]" 1
1590 1 73 GLU HA 1 73 GLU HG3 . . 3.860 3.759 3.670 3.847 . 0 0 "[ . 1 . 2]" 1
1591 1 73 GLU HA 1 76 ILE H . . 4.070 3.780 3.603 4.022 . 0 0 "[ . 1 . 2]" 1
1592 1 73 GLU HA 1 76 ILE HB . . 3.590 3.229 3.041 3.324 . 0 0 "[ . 1 . 2]" 1
1593 1 73 GLU HA 1 76 ILE MD . . 3.660 2.348 2.018 2.841 . 0 0 "[ . 1 . 2]" 1
1594 1 73 GLU HA 1 76 ILE MG . . 4.490 4.431 4.277 4.488 . 0 0 "[ . 1 . 2]" 1
1595 1 73 GLU HA 1 77 ASP H . . 4.770 4.476 4.235 4.654 . 0 0 "[ . 1 . 2]" 1
1596 1 73 GLU HB2 1 74 GLU H . . 3.750 3.677 3.480 3.748 . 0 0 "[ . 1 . 2]" 1
1597 1 73 GLU HB3 1 74 GLU H . . 4.150 3.835 3.674 3.975 . 0 0 "[ . 1 . 2]" 1
1598 1 73 GLU QG 1 74 GLU H . . 3.550 1.946 1.833 2.115 . 0 0 "[ . 1 . 2]" 1
1599 1 73 GLU QG 1 74 GLU HA . . 3.940 3.239 2.966 3.424 . 0 0 "[ . 1 . 2]" 1
1600 1 73 GLU QG 1 74 GLU QG . . 4.150 2.260 2.131 2.485 . 0 0 "[ . 1 . 2]" 1
1601 1 73 GLU QG 1 75 ALA H . . 5.340 4.237 4.118 4.370 . 0 0 "[ . 1 . 2]" 1
1602 1 74 GLU H 1 74 GLU QB . . 3.060 2.405 2.175 2.546 . 0 0 "[ . 1 . 2]" 1
1603 1 74 GLU H 1 74 GLU HG2 . . 4.000 2.768 2.021 3.515 . 0 0 "[ . 1 . 2]" 1
1604 1 74 GLU H 1 74 GLU QG . . 3.200 2.339 2.009 2.829 . 0 0 "[ . 1 . 2]" 1
1605 1 74 GLU H 1 74 GLU HG3 . . 4.000 3.084 2.179 3.805 . 0 0 "[ . 1 . 2]" 1
1606 1 74 GLU H 1 75 ALA H . . 3.240 2.656 2.539 2.753 . 0 0 "[ . 1 . 2]" 1
1607 1 74 GLU H 1 75 ALA MB . . 4.350 4.227 4.120 4.320 . 0 0 "[ . 1 . 2]" 1
1608 1 74 GLU H 1 76 ILE H . . 4.540 4.336 4.223 4.531 . 0 0 "[ . 1 . 2]" 1
1609 1 74 GLU HA 1 74 GLU HG2 . . 3.890 2.723 2.403 3.243 . 0 0 "[ . 1 . 2]" 1
1610 1 74 GLU HA 1 74 GLU QG . . 3.270 2.627 2.349 3.038 . 0 0 "[ . 1 . 2]" 1
1611 1 74 GLU HA 1 74 GLU HG3 . . 3.890 3.511 3.101 3.793 . 0 0 "[ . 1 . 2]" 1
1612 1 74 GLU HA 1 77 ASP H . . 3.950 3.798 3.589 3.927 . 0 0 "[ . 1 . 2]" 1
1613 1 74 GLU HA 1 77 ASP HB2 . . 3.800 3.595 3.328 3.778 . 0 0 "[ . 1 . 2]" 1
1614 1 74 GLU HA 1 77 ASP HB3 . . 3.760 3.494 3.192 3.679 . 0 0 "[ . 1 . 2]" 1
1615 1 74 GLU QB 1 75 ALA H . . 3.410 2.531 2.328 2.765 . 0 0 "[ . 1 . 2]" 1
1616 1 74 GLU QB 1 75 ALA HA . . 4.940 3.847 3.770 3.922 . 0 0 "[ . 1 . 2]" 1
1617 1 74 GLU QB 1 75 ALA MB . . 4.480 3.829 3.737 3.912 . 0 0 "[ . 1 . 2]" 1
1618 1 74 GLU QG 1 75 ALA H . . 4.380 4.055 3.821 4.288 . 0 0 "[ . 1 . 2]" 1
1619 1 74 GLU HG2 1 75 ALA H . . 5.030 4.598 4.118 4.990 . 0 0 "[ . 1 . 2]" 1
1620 1 74 GLU HG3 1 75 ALA H . . 5.030 4.623 4.037 5.017 . 0 0 "[ . 1 . 2]" 1
1621 1 75 ALA H 1 75 ALA MB . . 2.950 2.097 2.024 2.234 . 0 0 "[ . 1 . 2]" 1
1622 1 75 ALA H 1 76 ILE H . . 3.420 2.814 2.629 2.990 . 0 0 "[ . 1 . 2]" 1
1623 1 75 ALA H 1 77 ASP H . . 4.640 4.517 4.373 4.639 . 0 0 "[ . 1 . 2]" 1
1624 1 75 ALA HA 1 76 ILE HA . . 5.500 4.870 4.842 4.902 . 0 0 "[ . 1 . 2]" 1
1625 1 75 ALA HA 1 78 HIS H . . 3.770 3.557 3.443 3.639 . 0 0 "[ . 1 . 2]" 1
1626 1 75 ALA HA 1 78 HIS HB2 . . 3.860 3.743 3.490 3.845 . 0 0 "[ . 1 . 2]" 1
1627 1 75 ALA HA 1 78 HIS HB3 . . 4.180 2.963 2.727 3.252 . 0 0 "[ . 1 . 2]" 1
1628 1 75 ALA HA 1 79 ILE H . . 4.530 4.416 4.255 4.506 . 0 0 "[ . 1 . 2]" 1
1629 1 75 ALA MB 1 76 ILE H . . 3.440 2.482 2.273 2.613 . 0 0 "[ . 1 . 2]" 1
1630 1 75 ALA MB 1 76 ILE HA . . 4.190 3.686 3.591 3.783 . 0 0 "[ . 1 . 2]" 1
1631 1 75 ALA MB 1 78 HIS H . . 4.780 4.554 4.415 4.634 . 0 0 "[ . 1 . 2]" 1
1632 1 75 ALA MB 1 78 HIS HB3 . . 5.020 4.099 3.896 4.210 . 0 0 "[ . 1 . 2]" 1
1633 1 76 ILE H 1 76 ILE HB . . 3.130 2.598 2.557 2.668 . 0 0 "[ . 1 . 2]" 1
1634 1 76 ILE H 1 76 ILE MD . . 3.820 3.402 3.175 3.713 . 0 0 "[ . 1 . 2]" 1
1635 1 76 ILE H 1 76 ILE HG12 . . 3.840 3.361 3.021 3.527 . 0 0 "[ . 1 . 2]" 1
1636 1 76 ILE H 1 76 ILE HG13 . . 3.390 2.004 1.918 2.092 . 0 0 "[ . 1 . 2]" 1
1637 1 76 ILE H 1 76 ILE MG . . 3.840 3.768 3.764 3.775 . 0 0 "[ . 1 . 2]" 1
1638 1 76 ILE H 1 77 ASP H . . 3.430 2.985 2.890 3.067 . 0 0 "[ . 1 . 2]" 1
1639 1 76 ILE H 1 78 HIS H . . 4.820 4.237 4.094 4.397 . 0 0 "[ . 1 . 2]" 1
1640 1 76 ILE HA 1 76 ILE MD . . 4.060 3.846 3.724 3.887 . 0 0 "[ . 1 . 2]" 1
1641 1 76 ILE HA 1 76 ILE HG12 . . 4.200 2.610 2.411 2.764 . 0 0 "[ . 1 . 2]" 1
1642 1 76 ILE HA 1 76 ILE HG13 . . 3.770 2.888 2.733 3.207 . 0 0 "[ . 1 . 2]" 1
1643 1 76 ILE HA 1 76 ILE MG . . 3.370 2.345 2.310 2.432 . 0 0 "[ . 1 . 2]" 1
1644 1 76 ILE HA 1 78 HIS H . . 4.760 4.238 4.045 4.533 . 0 0 "[ . 1 . 2]" 1
1645 1 76 ILE HA 1 79 ILE H . . 4.260 3.238 3.122 3.442 . 0 0 "[ . 1 . 2]" 1
1646 1 76 ILE HA 1 79 ILE HB . . 3.870 2.611 2.449 2.825 . 0 0 "[ . 1 . 2]" 1
1647 1 76 ILE HA 1 79 ILE MD . . 3.290 2.242 2.016 2.621 . 0 0 "[ . 1 . 2]" 1
1648 1 76 ILE HA 1 79 ILE HG12 . . 4.460 4.378 4.242 4.456 . 0 0 "[ . 1 . 2]" 1
1649 1 76 ILE HA 1 79 ILE HG13 . . 4.160 3.059 2.726 3.232 . 0 0 "[ . 1 . 2]" 1
1650 1 76 ILE HA 1 79 ILE MG . . 4.270 3.969 3.810 4.102 . 0 0 "[ . 1 . 2]" 1
1651 1 76 ILE HA 1 80 LEU H . . 4.970 3.906 3.725 4.150 . 0 0 "[ . 1 . 2]" 1
1652 1 76 ILE HB 1 76 ILE MD . . 3.130 2.330 2.161 2.540 . 0 0 "[ . 1 . 2]" 1
1653 1 76 ILE HB 1 77 ASP H . . 3.420 2.298 2.218 2.409 . 0 0 "[ . 1 . 2]" 1
1654 1 76 ILE HB 1 77 ASP HA . . 4.360 4.180 4.137 4.225 . 0 0 "[ . 1 . 2]" 1
1655 1 76 ILE MD 1 76 ILE MG . . 3.050 2.102 1.847 2.418 . 0 0 "[ . 1 . 2]" 1
1656 1 76 ILE MD 1 77 ASP H . . 4.830 4.246 4.036 4.575 . 0 0 "[ . 1 . 2]" 1
1657 1 76 ILE HG12 1 76 ILE MG . . 2.980 2.308 2.100 2.483 . 0 0 "[ . 1 . 2]" 1
1658 1 76 ILE HG13 1 77 ASP H . . 4.240 4.187 4.138 4.239 . 0 0 "[ . 1 . 2]" 1
1659 1 76 ILE MG 1 77 ASP H . . 3.540 3.155 3.008 3.348 . 0 0 "[ . 1 . 2]" 1
1660 1 76 ILE MG 1 77 ASP HA . . 3.910 3.377 3.227 3.541 . 0 0 "[ . 1 . 2]" 1
1661 1 76 ILE MG 1 77 ASP HB2 . . 4.660 4.398 4.226 4.578 . 0 0 "[ . 1 . 2]" 1
1662 1 76 ILE MG 1 77 ASP HB3 . . 5.500 5.202 5.077 5.378 . 0 0 "[ . 1 . 2]" 1
1663 1 76 ILE MG 1 78 HIS H . . 5.100 4.758 4.630 5.005 . 0 0 "[ . 1 . 2]" 1
1664 1 76 ILE MG 1 79 ILE HB . . 3.380 3.254 3.137 3.376 . 0 0 "[ . 1 . 2]" 1
1665 1 76 ILE MG 1 80 LEU H . . 3.910 3.404 3.271 3.596 . 0 0 "[ . 1 . 2]" 1
1666 1 77 ASP H 1 77 ASP HB2 . . 3.140 2.326 2.220 2.466 . 0 0 "[ . 1 . 2]" 1
1667 1 77 ASP H 1 77 ASP HB3 . . 3.170 2.782 2.598 2.906 . 0 0 "[ . 1 . 2]" 1
1668 1 77 ASP H 1 78 HIS HB2 . . 5.500 5.373 5.275 5.451 . 0 0 "[ . 1 . 2]" 1
1669 1 77 ASP H 1 78 HIS HB3 . . 5.360 5.072 4.961 5.192 . 0 0 "[ . 1 . 2]" 1
1670 1 77 ASP H 1 79 ILE H . . 4.760 4.220 4.053 4.379 . 0 0 "[ . 1 . 2]" 1
1671 1 77 ASP HA 1 80 LEU H . . 4.290 3.931 3.748 4.091 . 0 0 "[ . 1 . 2]" 1
1672 1 77 ASP HA 1 80 LEU HB2 . . 3.830 3.225 3.088 3.381 . 0 0 "[ . 1 . 2]" 1
1673 1 77 ASP HA 1 80 LEU HB3 . . 4.850 4.688 4.575 4.830 . 0 0 "[ . 1 . 2]" 1
1674 1 77 ASP HA 1 80 LEU MD1 . . 3.950 3.617 3.279 3.896 . 0 0 "[ . 1 . 2]" 1
1675 1 77 ASP HA 1 81 ASN H . . 4.400 4.175 4.020 4.391 . 0 0 "[ . 1 . 2]" 1
1676 1 77 ASP HB2 1 78 HIS H . . 3.840 3.781 3.717 3.838 . 0 0 "[ . 1 . 2]" 1
1677 1 77 ASP HB3 1 78 HIS H . . 3.500 2.628 2.453 2.821 . 0 0 "[ . 1 . 2]" 1
1678 1 78 HIS H 1 78 HIS HB2 . . 3.170 2.640 2.551 2.738 . 0 0 "[ . 1 . 2]" 1
1679 1 78 HIS H 1 78 HIS HB3 . . 3.140 2.455 2.383 2.520 . 0 0 "[ . 1 . 2]" 1
1680 1 78 HIS H 1 78 HIS HD2 . . 5.070 4.925 4.819 5.028 . 0 0 "[ . 1 . 2]" 1
1681 1 78 HIS H 1 79 ILE H . . 3.400 2.554 2.409 2.694 . 0 0 "[ . 1 . 2]" 1
1682 1 78 HIS H 1 79 ILE HB . . 5.050 4.754 4.536 4.927 . 0 0 "[ . 1 . 2]" 1
1683 1 78 HIS H 1 79 ILE MD . . 5.210 5.067 4.894 5.208 . 0 0 "[ . 1 . 2]" 1
1684 1 78 HIS H 1 80 LEU H . . 4.710 4.502 4.316 4.707 . 0 0 "[ . 1 . 2]" 1
1685 1 78 HIS HA 1 78 HIS HD2 . . 5.270 3.882 3.553 4.128 . 0 0 "[ . 1 . 2]" 1
1686 1 78 HIS HA 1 81 ASN H . . 3.930 3.605 3.466 3.736 . 0 0 "[ . 1 . 2]" 1
1687 1 78 HIS HA 1 81 ASN HB2 . . 3.920 3.380 3.253 3.494 . 0 0 "[ . 1 . 2]" 1
1688 1 78 HIS HA 1 81 ASN HB3 . . 3.930 2.456 2.321 2.586 . 0 0 "[ . 1 . 2]" 1
1689 1 78 HIS HA 1 81 ASN HD21 . . 4.770 2.927 2.740 3.064 . 0 0 "[ . 1 . 2]" 1
1690 1 78 HIS HA 1 81 ASN QD . . 3.960 2.898 2.716 3.027 . 0 0 "[ . 1 . 2]" 1
1691 1 78 HIS HA 1 81 ASN HD22 . . 4.770 4.642 4.454 4.765 . 0 0 "[ . 1 . 2]" 1
1692 1 78 HIS HB2 1 79 ILE H . . 4.110 3.970 3.841 4.093 . 0 0 "[ . 1 . 2]" 1
1693 1 78 HIS HB3 1 79 ILE H . . 3.940 2.712 2.524 2.897 . 0 0 "[ . 1 . 2]" 1
1694 1 78 HIS HB3 1 79 ILE HG13 . . 4.380 3.424 3.279 3.588 . 0 0 "[ . 1 . 2]" 1
1695 1 78 HIS HD2 1 79 ILE H . . 5.210 3.687 3.506 3.869 . 0 0 "[ . 1 . 2]" 1
1696 1 78 HIS HD2 1 79 ILE HA . . 5.050 2.848 2.662 3.042 . 0 0 "[ . 1 . 2]" 1
1697 1 78 HIS HD2 1 79 ILE MG . . 4.870 4.718 4.514 4.865 . 0 0 "[ . 1 . 2]" 1
1698 1 78 HIS HD2 1 82 LEU MD1 . . 4.010 2.385 1.968 2.825 . 0 0 "[ . 1 . 2]" 1
1699 1 78 HIS HD2 1 82 LEU HG . . 5.300 3.190 2.257 3.753 . 0 0 "[ . 1 . 2]" 1
1700 1 78 HIS HE1 1 82 LEU MD1 . . 5.230 3.991 3.646 4.408 . 0 0 "[ . 1 . 2]" 1
1701 1 78 HIS HE1 1 82 LEU MD2 . . 4.530 4.129 3.464 4.457 . 0 0 "[ . 1 . 2]" 1
1702 1 79 ILE H 1 79 ILE HB . . 3.400 2.501 2.407 2.619 . 0 0 "[ . 1 . 2]" 1
1703 1 79 ILE H 1 79 ILE MD . . 3.930 3.539 3.403 3.674 . 0 0 "[ . 1 . 2]" 1
1704 1 79 ILE H 1 79 ILE HG12 . . 3.700 3.477 3.174 3.649 . 0 0 "[ . 1 . 2]" 1
1705 1 79 ILE H 1 79 ILE HG13 . . 3.670 2.170 1.928 2.372 . 0 0 "[ . 1 . 2]" 1
1706 1 79 ILE H 1 79 ILE MG . . 3.890 3.757 3.737 3.766 . 0 0 "[ . 1 . 2]" 1
1707 1 79 ILE H 1 80 LEU H . . 3.610 2.838 2.744 2.964 . 0 0 "[ . 1 . 2]" 1
1708 1 79 ILE H 1 81 ASN H . . 4.720 3.889 3.723 4.045 . 0 0 "[ . 1 . 2]" 1
1709 1 79 ILE HA 1 79 ILE MD . . 4.080 3.832 3.784 3.870 . 0 0 "[ . 1 . 2]" 1
1710 1 79 ILE HA 1 79 ILE HG12 . . 4.050 2.547 2.442 2.637 . 0 0 "[ . 1 . 2]" 1
1711 1 79 ILE HA 1 79 ILE HG13 . . 4.090 2.923 2.812 3.158 . 0 0 "[ . 1 . 2]" 1
1712 1 79 ILE HA 1 79 ILE MG . . 3.220 2.381 2.286 2.502 . 0 0 "[ . 1 . 2]" 1
1713 1 79 ILE HA 1 81 ASN H . . 4.470 4.252 3.970 4.393 . 0 0 "[ . 1 . 2]" 1
1714 1 79 ILE HA 1 82 LEU H . . 4.130 3.726 3.589 3.837 . 0 0 "[ . 1 . 2]" 1
1715 1 79 ILE HA 1 82 LEU HB2 . . 3.790 3.680 3.413 3.780 . 0 0 "[ . 1 . 2]" 1
1716 1 79 ILE HA 1 82 LEU MD1 . . 3.390 3.098 2.753 3.360 . 0 0 "[ . 1 . 2]" 1
1717 1 79 ILE HA 1 82 LEU HG . . 4.210 3.787 3.564 4.065 . 0 0 "[ . 1 . 2]" 1
1718 1 79 ILE HA 1 83 GLU H . . 4.860 4.498 4.321 4.654 . 0 0 "[ . 1 . 2]" 1
1719 1 79 ILE HB 1 79 ILE MD . . 3.340 2.342 2.229 2.454 . 0 0 "[ . 1 . 2]" 1
1720 1 79 ILE HB 1 80 LEU H . . 4.200 2.251 2.126 2.349 . 0 0 "[ . 1 . 2]" 1
1721 1 79 ILE MD 1 79 ILE MG . . 2.940 2.049 1.950 2.201 . 0 0 "[ . 1 . 2]" 1
1722 1 79 ILE MD 1 80 LEU H . . 4.520 4.248 4.166 4.368 . 0 0 "[ . 1 . 2]" 1
1723 1 79 ILE HG12 1 79 ILE MG . . 3.420 2.351 2.283 2.438 . 0 0 "[ . 1 . 2]" 1
1724 1 79 ILE HG12 1 80 LEU H . . 4.910 4.847 4.723 4.902 . 0 0 "[ . 1 . 2]" 1
1725 1 79 ILE HG13 1 79 ILE MG . . 3.690 3.192 3.183 3.203 . 0 0 "[ . 1 . 2]" 1
1726 1 79 ILE HG13 1 80 LEU H . . 4.370 4.188 4.007 4.306 . 0 0 "[ . 1 . 2]" 1
1727 1 79 ILE MG 1 80 LEU H . . 4.280 3.036 2.841 3.336 . 0 0 "[ . 1 . 2]" 1
1728 1 79 ILE MG 1 80 LEU HA . . 4.430 3.260 2.984 3.577 . 0 0 "[ . 1 . 2]" 1
1729 1 80 LEU H 1 80 LEU HB2 . . 3.230 2.210 2.173 2.260 . 0 0 "[ . 1 . 2]" 1
1730 1 80 LEU H 1 80 LEU HB3 . . 3.710 3.510 3.488 3.534 . 0 0 "[ . 1 . 2]" 1
1731 1 80 LEU H 1 80 LEU MD1 . . 4.090 3.574 3.238 3.721 . 0 0 "[ . 1 . 2]" 1
1732 1 80 LEU H 1 80 LEU MD2 . . 4.140 3.939 3.830 4.060 . 0 0 "[ . 1 . 2]" 1
1733 1 80 LEU H 1 80 LEU HG . . 3.250 2.843 2.723 2.943 . 0 0 "[ . 1 . 2]" 1
1734 1 80 LEU H 1 81 ASN H . . 3.380 2.703 2.638 2.790 . 0 0 "[ . 1 . 2]" 1
1735 1 80 LEU H 1 81 ASN HB2 . . 5.500 5.374 5.242 5.462 . 0 0 "[ . 1 . 2]" 1
1736 1 80 LEU H 1 81 ASN HB3 . . 4.970 4.677 4.587 4.783 . 0 0 "[ . 1 . 2]" 1
1737 1 80 LEU H 1 82 LEU H . . 4.920 4.501 4.428 4.653 . 0 0 "[ . 1 . 2]" 1
1738 1 80 LEU HA 1 80 LEU MD2 . . 2.970 2.183 2.002 2.395 . 0 0 "[ . 1 . 2]" 1
1739 1 80 LEU HA 1 80 LEU HG . . 3.850 2.680 2.535 2.787 . 0 0 "[ . 1 . 2]" 1
1740 1 80 LEU HA 1 82 LEU H . . 4.840 4.383 4.285 4.576 . 0 0 "[ . 1 . 2]" 1
1741 1 80 LEU HA 1 83 GLU H . . 3.820 3.256 3.117 3.506 . 0 0 "[ . 1 . 2]" 1
1742 1 80 LEU HA 1 83 GLU HB2 . . 3.850 2.712 2.347 3.032 . 0 0 "[ . 1 . 2]" 1
1743 1 80 LEU HA 1 83 GLU QB . . 3.310 2.307 2.133 2.517 . 0 0 "[ . 1 . 2]" 1
1744 1 80 LEU HA 1 83 GLU HB3 . . 3.850 2.559 2.191 2.901 . 0 0 "[ . 1 . 2]" 1
1745 1 80 LEU HA 1 84 GLU H . . 4.790 4.350 4.179 4.551 . 0 0 "[ . 1 . 2]" 1
1746 1 80 LEU HB2 1 80 LEU MD1 . . 3.090 2.186 2.048 2.352 . 0 0 "[ . 1 . 2]" 1
1747 1 80 LEU HB2 1 80 LEU MD2 . . 3.240 3.170 3.136 3.183 . 0 0 "[ . 1 . 2]" 1
1748 1 80 LEU HB2 1 81 ASN H . . 3.720 2.936 2.831 3.124 . 0 0 "[ . 1 . 2]" 1
1749 1 80 LEU HB2 1 81 ASN HA . . 5.500 4.639 4.570 4.713 . 0 0 "[ . 1 . 2]" 1
1750 1 80 LEU HB3 1 80 LEU MD1 . . 3.240 2.493 2.352 2.684 . 0 0 "[ . 1 . 2]" 1
1751 1 80 LEU HB3 1 80 LEU MD2 . . 3.280 2.266 2.154 2.349 . 0 0 "[ . 1 . 2]" 1
1752 1 80 LEU HB3 1 81 ASN H . . 4.010 3.471 3.342 3.617 . 0 0 "[ . 1 . 2]" 1
1753 1 80 LEU MD1 1 81 ASN H . . 5.130 4.693 4.565 4.880 . 0 0 "[ . 1 . 2]" 1
1754 1 80 LEU MD2 1 81 ASN H . . 4.870 4.721 4.636 4.865 . 0 0 "[ . 1 . 2]" 1
1755 1 80 LEU MD2 1 83 GLU H . . 4.940 4.657 4.461 4.835 . 0 0 "[ . 1 . 2]" 1
1756 1 80 LEU MD2 1 83 GLU HB2 . . 4.290 3.519 3.158 3.884 . 0 0 "[ . 1 . 2]" 1
1757 1 80 LEU MD2 1 83 GLU QB . . 3.730 2.803 2.617 3.038 . 0 0 "[ . 1 . 2]" 1
1758 1 80 LEU MD2 1 83 GLU HB3 . . 4.290 2.950 2.706 3.243 . 0 0 "[ . 1 . 2]" 1
1759 1 80 LEU MD2 1 84 GLU H . . 4.700 4.590 4.410 4.697 . 0 0 "[ . 1 . 2]" 1
1760 1 81 ASN H 1 81 ASN HB2 . . 3.380 2.811 2.746 2.890 . 0 0 "[ . 1 . 2]" 1
1761 1 81 ASN H 1 81 ASN HB3 . . 3.140 2.283 2.223 2.332 . 0 0 "[ . 1 . 2]" 1
1762 1 81 ASN H 1 82 LEU MD2 . . 5.460 5.350 5.226 5.453 . 0 0 "[ . 1 . 2]" 1
1763 1 81 ASN H 1 82 LEU HG . . 4.670 4.468 4.370 4.595 . 0 0 "[ . 1 . 2]" 1
1764 1 81 ASN H 1 83 GLU H . . 4.620 4.053 3.880 4.336 . 0 0 "[ . 1 . 2]" 1
1765 1 81 ASN HA 1 81 ASN QD . . 4.460 4.212 4.167 4.242 . 0 0 "[ . 1 . 2]" 1
1766 1 81 ASN HA 1 81 ASN HD22 . . 5.230 4.933 4.875 4.985 . 0 0 "[ . 1 . 2]" 1
1767 1 81 ASN HA 1 84 GLU H . . 4.440 4.070 3.921 4.229 . 0 0 "[ . 1 . 2]" 1
1768 1 81 ASN HA 1 84 GLU QB . . 3.950 3.791 3.571 3.949 . 0 0 "[ . 1 . 2]" 1
1769 1 81 ASN HA 1 85 GLU H . . 5.230 4.769 4.166 5.061 . 0 0 "[ . 1 . 2]" 1
1770 1 81 ASN HB2 1 81 ASN HD22 . . 4.030 3.779 3.732 3.862 . 0 0 "[ . 1 . 2]" 1
1771 1 81 ASN HB2 1 82 LEU H . . 4.010 3.982 3.918 4.008 . 0 0 "[ . 1 . 2]" 1
1772 1 81 ASN HB2 1 82 LEU HG . . 5.310 5.026 4.880 5.170 . 0 0 "[ . 1 . 2]" 1
1773 1 81 ASN HB3 1 81 ASN QD . . 3.320 2.210 2.124 2.269 . 0 0 "[ . 1 . 2]" 1
1774 1 81 ASN HB3 1 81 ASN HD22 . . 3.840 3.481 3.446 3.506 . 0 0 "[ . 1 . 2]" 1
1775 1 81 ASN HB3 1 82 LEU H . . 3.740 2.641 2.546 2.699 . 0 0 "[ . 1 . 2]" 1
1776 1 81 ASN HB3 1 82 LEU HG . . 5.130 3.382 3.217 3.540 . 0 0 "[ . 1 . 2]" 1
1777 1 81 ASN QD 1 82 LEU H . . 4.190 3.854 3.479 4.076 . 0 0 "[ . 1 . 2]" 1
1778 1 82 LEU H 1 82 LEU HB2 . . 3.360 2.544 2.482 2.605 . 0 0 "[ . 1 . 2]" 1
1779 1 82 LEU H 1 82 LEU HB3 . . 3.840 3.597 3.585 3.609 . 0 0 "[ . 1 . 2]" 1
1780 1 82 LEU H 1 82 LEU MD1 . . 3.640 3.545 3.393 3.625 . 0 0 "[ . 1 . 2]" 1
1781 1 82 LEU H 1 82 LEU MD2 . . 3.820 3.303 3.170 3.444 . 0 0 "[ . 1 . 2]" 1
1782 1 82 LEU H 1 82 LEU HG . . 3.290 2.184 2.035 2.317 . 0 0 "[ . 1 . 2]" 1
1783 1 82 LEU H 1 83 GLU H . . 3.490 2.541 2.413 2.746 . 0 0 "[ . 1 . 2]" 1
1784 1 82 LEU HA 1 82 LEU MD1 . . 4.230 3.910 3.873 3.945 . 0 0 "[ . 1 . 2]" 1
1785 1 82 LEU HA 1 82 LEU MD2 . . 3.020 2.240 2.003 2.419 . 0 0 "[ . 1 . 2]" 1
1786 1 82 LEU HA 1 82 LEU HG . . 4.200 3.152 3.087 3.226 . 0 0 "[ . 1 . 2]" 1
1787 1 82 LEU HA 1 85 GLU H . . 4.260 3.300 3.101 3.786 . 0 0 "[ . 1 . 2]" 1
1788 1 82 LEU HA 1 85 GLU HB2 . . 3.990 3.304 2.559 3.969 . 0 0 "[ . 1 . 2]" 1
1789 1 82 LEU HA 1 85 GLU QB . . 3.410 2.365 1.993 2.648 . 0 0 "[ . 1 . 2]" 1
1790 1 82 LEU HA 1 85 GLU HB3 . . 3.990 2.491 2.010 3.992 0.002 18 0 "[ . 1 . 2]" 1
1791 1 82 LEU HA 1 85 GLU HG2 . . 4.990 4.209 3.576 4.843 . 0 0 "[ . 1 . 2]" 1
1792 1 82 LEU HA 1 85 GLU QG . . 4.380 3.858 1.994 4.369 . 0 0 "[ . 1 . 2]" 1
1793 1 82 LEU HA 1 85 GLU HG3 . . 4.990 4.647 2.001 4.989 . 0 0 "[ . 1 . 2]" 1
1794 1 82 LEU HA 1 86 TYR H . . 4.470 3.878 3.376 4.147 . 0 0 "[ . 1 . 2]" 1
1795 1 82 LEU HA 1 86 TYR QE . . 4.680 4.456 3.573 4.665 . 0 0 "[ . 1 . 2]" 1
1796 1 82 LEU HB2 1 82 LEU MD1 . . 3.110 2.287 2.188 2.377 . 0 0 "[ . 1 . 2]" 1
1797 1 82 LEU HB2 1 82 LEU MD2 . . 3.510 3.182 3.167 3.194 . 0 0 "[ . 1 . 2]" 1
1798 1 82 LEU HB2 1 83 GLU H . . 3.670 2.686 2.386 2.925 . 0 0 "[ . 1 . 2]" 1
1799 1 82 LEU HB2 1 83 GLU HA . . 4.780 4.128 4.016 4.249 . 0 0 "[ . 1 . 2]" 1
1800 1 82 LEU HB2 1 86 TYR QE . . 4.130 3.432 2.922 4.054 . 0 0 "[ . 1 . 2]" 1
1801 1 82 LEU HB3 1 82 LEU MD2 . . 3.410 2.258 2.146 2.411 . 0 0 "[ . 1 . 2]" 1
1802 1 82 LEU HB3 1 83 GLU H . . 4.030 3.797 3.513 3.968 . 0 0 "[ . 1 . 2]" 1
1803 1 82 LEU HB3 1 86 TYR QD . . 4.480 2.995 2.564 3.216 . 0 0 "[ . 1 . 2]" 1
1804 1 82 LEU HB3 1 86 TYR QE . . 3.670 2.361 2.150 2.591 . 0 0 "[ . 1 . 2]" 1
1805 1 82 LEU MD1 1 86 TYR QE . . 3.780 2.887 2.333 3.277 . 0 0 "[ . 1 . 2]" 1
1806 1 82 LEU MD2 1 86 TYR QD . . 4.710 4.437 3.444 4.707 . 0 0 "[ . 1 . 2]" 1
1807 1 82 LEU MD2 1 86 TYR QE . . 3.860 3.469 2.127 3.793 . 0 0 "[ . 1 . 2]" 1
1808 1 82 LEU HG 1 83 GLU H . . 4.510 4.220 4.041 4.370 . 0 0 "[ . 1 . 2]" 1
1809 1 83 GLU H 1 83 GLU HB2 . . 3.430 2.484 2.310 2.718 . 0 0 "[ . 1 . 2]" 1
1810 1 83 GLU H 1 83 GLU HB3 . . 3.430 2.596 2.352 2.822 . 0 0 "[ . 1 . 2]" 1
1811 1 83 GLU H 1 83 GLU HG2 . . 4.920 4.444 4.386 4.501 . 0 0 "[ . 1 . 2]" 1
1812 1 83 GLU H 1 83 GLU QG . . 4.240 3.971 3.893 4.040 . 0 0 "[ . 1 . 2]" 1
1813 1 83 GLU H 1 83 GLU HG3 . . 4.920 4.476 4.296 4.633 . 0 0 "[ . 1 . 2]" 1
1814 1 83 GLU H 1 84 GLU H . . 3.720 2.942 2.725 3.115 . 0 0 "[ . 1 . 2]" 1
1815 1 83 GLU H 1 84 GLU QB . . 5.380 4.702 4.466 4.911 . 0 0 "[ . 1 . 2]" 1
1816 1 83 GLU HA 1 83 GLU HG2 . . 3.920 2.743 2.483 3.018 . 0 0 "[ . 1 . 2]" 1
1817 1 83 GLU HA 1 83 GLU HG3 . . 3.920 3.016 2.597 3.662 . 0 0 "[ . 1 . 2]" 1
1818 1 83 GLU HA 1 86 TYR H . . 4.460 3.905 3.679 4.383 . 0 0 "[ . 1 . 2]" 1
1819 1 83 GLU HA 1 86 TYR HB2 . . 4.930 3.156 2.827 3.344 . 0 0 "[ . 1 . 2]" 1
1820 1 83 GLU HA 1 86 TYR QB . . 4.240 3.113 2.795 3.291 . 0 0 "[ . 1 . 2]" 1
1821 1 83 GLU HA 1 86 TYR HB3 . . 4.930 4.752 4.391 4.922 . 0 0 "[ . 1 . 2]" 1
1822 1 83 GLU HA 1 86 TYR QD . . 4.670 3.185 2.616 4.571 . 0 0 "[ . 1 . 2]" 1
1823 1 83 GLU HA 1 87 LEU H . . 5.030 3.998 3.702 4.220 . 0 0 "[ . 1 . 2]" 1
1824 1 83 GLU QB 1 84 GLU H . . 3.520 2.405 2.135 2.672 . 0 0 "[ . 1 . 2]" 1
1825 1 83 GLU HB2 1 84 GLU H . . 4.120 3.790 3.603 4.027 . 0 0 "[ . 1 . 2]" 1
1826 1 83 GLU HB3 1 84 GLU H . . 4.120 2.433 2.150 2.712 . 0 0 "[ . 1 . 2]" 1
1827 1 83 GLU QG 1 87 LEU MD1 . . 3.260 2.110 1.850 2.437 . 0 0 "[ . 1 . 2]" 1
1828 1 83 GLU QG 1 87 LEU HG . . 3.950 2.986 2.532 3.443 . 0 0 "[ . 1 . 2]" 1
1829 1 83 GLU HG2 1 87 LEU MD1 . . 3.920 2.139 1.869 2.493 . 0 0 "[ . 1 . 2]" 1
1830 1 83 GLU HG2 1 87 LEU HG . . 4.760 3.058 2.611 3.560 . 0 0 "[ . 1 . 2]" 1
1831 1 83 GLU HG3 1 87 LEU MD1 . . 3.920 3.273 2.951 3.768 . 0 0 "[ . 1 . 2]" 1
1832 1 83 GLU HG3 1 87 LEU HG . . 4.760 4.257 3.405 4.742 . 0 0 "[ . 1 . 2]" 1
1833 1 84 GLU H 1 84 GLU QB . . 3.200 2.234 2.172 2.320 . 0 0 "[ . 1 . 2]" 1
1834 1 84 GLU H 1 84 GLU HG2 . . 4.830 4.164 2.533 4.636 . 0 0 "[ . 1 . 2]" 1
1835 1 84 GLU H 1 84 GLU QG . . 4.190 3.648 2.434 4.055 . 0 0 "[ . 1 . 2]" 1
1836 1 84 GLU H 1 84 GLU HG3 . . 4.830 4.177 2.473 4.613 . 0 0 "[ . 1 . 2]" 1
1837 1 84 GLU H 1 85 GLU H . . 3.700 2.686 2.511 2.949 . 0 0 "[ . 1 . 2]" 1
1838 1 84 GLU H 1 86 TYR H . . 4.630 4.265 4.023 4.574 . 0 0 "[ . 1 . 2]" 1
1839 1 84 GLU HA 1 84 GLU HG2 . . 3.770 2.995 2.438 3.761 . 0 0 "[ . 1 . 2]" 1
1840 1 84 GLU HA 1 84 GLU QG . . 3.240 2.487 2.224 2.729 . 0 0 "[ . 1 . 2]" 1
1841 1 84 GLU HA 1 84 GLU HG3 . . 3.770 2.893 2.266 3.706 . 0 0 "[ . 1 . 2]" 1
1842 1 84 GLU HA 1 87 LEU H . . 4.360 3.611 3.278 4.161 . 0 0 "[ . 1 . 2]" 1
1843 1 84 GLU HA 1 87 LEU HB2 . . 4.420 2.516 2.148 2.917 . 0 0 "[ . 1 . 2]" 1
1844 1 84 GLU HA 1 87 LEU QB . . 3.680 2.491 2.134 2.868 . 0 0 "[ . 1 . 2]" 1
1845 1 84 GLU HA 1 87 LEU HB3 . . 4.420 4.038 3.680 4.414 . 0 0 "[ . 1 . 2]" 1
1846 1 84 GLU HA 1 87 LEU MD1 . . 3.960 2.747 2.187 3.441 . 0 0 "[ . 1 . 2]" 1
1847 1 84 GLU HA 1 87 LEU MD2 . . 5.500 4.960 4.602 5.454 . 0 0 "[ . 1 . 2]" 1
1848 1 84 GLU HA 1 88 ALA H . . 4.360 3.910 3.649 4.285 . 0 0 "[ . 1 . 2]" 1
1849 1 84 GLU QB 1 85 GLU H . . 3.480 2.454 1.975 2.759 . 0 0 "[ . 1 . 2]" 1
1850 1 84 GLU QG 1 85 GLU H . . 4.890 3.889 3.121 4.306 . 0 0 "[ . 1 . 2]" 1
1851 1 85 GLU H 1 85 GLU HB2 . . 3.520 2.598 2.497 2.752 . 0 0 "[ . 1 . 2]" 1
1852 1 85 GLU H 1 85 GLU HB3 . . 3.520 2.524 2.316 3.579 0.059 18 0 "[ . 1 . 2]" 1
1853 1 85 GLU H 1 85 GLU HG2 . . 4.770 4.449 2.589 4.633 . 0 0 "[ . 1 . 2]" 1
1854 1 85 GLU H 1 85 GLU QG . . 4.100 3.902 2.084 4.055 . 0 0 "[ . 1 . 2]" 1
1855 1 85 GLU H 1 85 GLU HG3 . . 4.770 4.327 2.197 4.565 . 0 0 "[ . 1 . 2]" 1
1856 1 85 GLU H 1 86 TYR H . . 3.510 2.850 2.652 3.089 . 0 0 "[ . 1 . 2]" 1
1857 1 85 GLU H 1 87 LEU H . . 5.390 4.420 4.210 4.643 . 0 0 "[ . 1 . 2]" 1
1858 1 85 GLU HA 1 85 GLU HG2 . . 3.890 3.577 2.553 3.874 . 0 0 "[ . 1 . 2]" 1
1859 1 85 GLU HA 1 85 GLU QG . . 3.160 2.875 2.498 3.160 . 0 0 "[ . 1 . 2]" 1
1860 1 85 GLU HA 1 85 GLU HG3 . . 3.890 3.083 2.611 3.545 . 0 0 "[ . 1 . 2]" 1
1861 1 85 GLU HA 1 88 ALA H . . 4.290 3.863 3.531 4.049 . 0 0 "[ . 1 . 2]" 1
1862 1 85 GLU HA 1 88 ALA MB . . 3.490 2.897 2.542 3.258 . 0 0 "[ . 1 . 2]" 1
1863 1 85 GLU QB 1 86 TYR H . . 3.430 2.485 2.262 2.671 . 0 0 "[ . 1 . 2]" 1
1864 1 85 GLU HB2 1 86 TYR H . . 4.010 3.814 2.708 4.001 . 0 0 "[ . 1 . 2]" 1
1865 1 85 GLU HB3 1 86 TYR H . . 4.010 2.575 2.280 3.894 . 0 0 "[ . 1 . 2]" 1
1866 1 85 GLU QG 1 86 TYR H . . 4.420 3.330 2.793 3.820 . 0 0 "[ . 1 . 2]" 1
1867 1 85 GLU QG 1 86 TYR QD . . 4.090 3.922 3.046 4.084 . 0 0 "[ . 1 . 2]" 1
1868 1 85 GLU QG 1 86 TYR QE . . 5.340 4.473 4.064 4.795 . 0 0 "[ . 1 . 2]" 1
1869 1 86 TYR H 1 86 TYR HB2 . . 4.160 2.336 2.244 2.461 . 0 0 "[ . 1 . 2]" 1
1870 1 86 TYR H 1 86 TYR QB . . 3.490 2.306 2.220 2.421 . 0 0 "[ . 1 . 2]" 1
1871 1 86 TYR H 1 86 TYR HB3 . . 4.160 3.566 3.532 3.586 . 0 0 "[ . 1 . 2]" 1
1872 1 86 TYR H 1 86 TYR QD . . 4.180 3.093 1.900 3.439 . 0 0 "[ . 1 . 2]" 1
1873 1 86 TYR H 1 87 LEU H . . 3.620 2.724 2.517 3.033 . 0 0 "[ . 1 . 2]" 1
1874 1 86 TYR H 1 88 ALA H . . 4.630 4.088 3.806 4.343 . 0 0 "[ . 1 . 2]" 1
1875 1 86 TYR HA 1 86 TYR QD . . 3.370 2.220 1.998 2.872 . 0 0 "[ . 1 . 2]" 1
1876 1 86 TYR HA 1 88 ALA H . . 4.640 4.304 3.984 4.601 . 0 0 "[ . 1 . 2]" 1
1877 1 86 TYR HA 1 89 ASP H . . 3.820 3.748 3.644 3.820 . 0 0 "[ . 1 . 2]" 1
1878 1 86 TYR QB 1 87 LEU HG . . 5.340 3.706 3.380 3.931 . 0 0 "[ . 1 . 2]" 1
1879 1 86 TYR HB2 1 87 LEU H . . 4.370 2.463 2.189 2.626 . 0 0 "[ . 1 . 2]" 1
1880 1 86 TYR HB3 1 87 LEU H . . 4.370 3.242 2.911 3.438 . 0 0 "[ . 1 . 2]" 1
1881 1 86 TYR QD 1 87 LEU H . . 4.850 4.312 4.121 4.415 . 0 0 "[ . 1 . 2]" 1
1882 1 87 LEU H 1 87 LEU HB2 . . 3.630 2.310 2.227 2.483 . 0 0 "[ . 1 . 2]" 1
1883 1 87 LEU H 1 87 LEU QB . . 3.140 2.282 2.204 2.440 . 0 0 "[ . 1 . 2]" 1
1884 1 87 LEU H 1 87 LEU HB3 . . 3.630 3.550 3.520 3.583 . 0 0 "[ . 1 . 2]" 1
1885 1 87 LEU H 1 87 LEU MD1 . . 4.060 3.587 3.399 3.761 . 0 0 "[ . 1 . 2]" 1
1886 1 87 LEU H 1 87 LEU MD2 . . 4.160 3.740 3.424 3.900 . 0 0 "[ . 1 . 2]" 1
1887 1 87 LEU H 1 87 LEU HG . . 3.500 2.609 2.233 2.803 . 0 0 "[ . 1 . 2]" 1
1888 1 87 LEU H 1 88 ALA H . . 3.340 2.832 2.711 3.014 . 0 0 "[ . 1 . 2]" 1
1889 1 87 LEU H 1 89 ASP H . . 4.960 4.285 4.130 4.481 . 0 0 "[ . 1 . 2]" 1
1890 1 87 LEU HA 1 87 LEU MD1 . . 3.940 3.840 3.810 3.894 . 0 0 "[ . 1 . 2]" 1
1891 1 87 LEU HA 1 87 LEU MD2 . . 2.960 2.077 1.973 2.281 . 0 0 "[ . 1 . 2]" 1
1892 1 87 LEU HA 1 87 LEU HG . . 3.790 2.801 2.681 3.006 . 0 0 "[ . 1 . 2]" 1
1893 1 87 LEU HA 1 90 SER H . . 5.150 4.680 3.253 5.129 . 0 0 "[ . 1 . 2]" 1
1894 1 87 LEU QB 1 87 LEU MD1 . . 3.020 2.065 1.996 2.100 . 0 0 "[ . 1 . 2]" 1
1895 1 87 LEU QB 1 88 ALA H . . 3.790 2.622 2.459 2.801 . 0 0 "[ . 1 . 2]" 1
1896 1 87 LEU QB 1 88 ALA HA . . 5.060 3.828 3.755 3.905 . 0 0 "[ . 1 . 2]" 1
1897 1 87 LEU HB2 1 87 LEU MD1 . . 3.450 2.237 2.079 2.392 . 0 0 "[ . 1 . 2]" 1
1898 1 87 LEU HB2 1 87 LEU MD2 . . 3.370 3.177 3.168 3.189 . 0 0 "[ . 1 . 2]" 1
1899 1 87 LEU HB3 1 87 LEU MD1 . . 3.450 2.447 2.275 2.580 . 0 0 "[ . 1 . 2]" 1
1900 1 87 LEU HB3 1 87 LEU MD2 . . 3.370 2.303 2.173 2.353 . 0 0 "[ . 1 . 2]" 1
1901 1 87 LEU MD1 1 88 ALA H . . 4.730 4.545 4.374 4.726 . 0 0 "[ . 1 . 2]" 1
1902 1 87 LEU MD2 1 88 ALA H . . 5.100 4.665 4.555 4.834 . 0 0 "[ . 1 . 2]" 1
1903 1 87 LEU MD2 1 89 ASP H . . 5.400 5.294 5.085 5.394 . 0 0 "[ . 1 . 2]" 1
1904 1 87 LEU HG 1 88 ALA H . . 4.930 4.678 4.434 4.825 . 0 0 "[ . 1 . 2]" 1
1905 1 88 ALA H 1 88 ALA MB . . 2.860 2.154 2.029 2.239 . 0 0 "[ . 1 . 2]" 1
1906 1 88 ALA H 1 89 ASP H . . 3.380 2.842 2.647 3.000 . 0 0 "[ . 1 . 2]" 1
1907 1 88 ALA HA 1 89 ASP H . . 3.570 3.491 3.435 3.533 . 0 0 "[ . 1 . 2]" 1
1908 1 88 ALA HA 1 90 SER H . . 4.860 3.976 3.455 4.362 . 0 0 "[ . 1 . 2]" 1
1909 1 88 ALA MB 1 89 ASP H . . 3.470 2.796 2.591 2.990 . 0 0 "[ . 1 . 2]" 1
1910 1 88 ALA MB 1 89 ASP QB . . 4.400 3.682 3.173 4.038 . 0 0 "[ . 1 . 2]" 1
1911 1 88 ALA MB 1 90 SER H . . 4.820 4.528 4.202 4.776 . 0 0 "[ . 1 . 2]" 1
1912 1 89 ASP H 1 89 ASP HB2 . . 3.540 2.732 2.255 3.533 . 0 0 "[ . 1 . 2]" 1
1913 1 89 ASP H 1 89 ASP HB3 . . 3.540 2.819 2.456 3.540 . 2 0 "[ . 1 . 2]" 1
1914 1 89 ASP H 1 90 SER H . . 3.770 3.322 2.722 3.693 . 0 0 "[ . 1 . 2]" 1
1915 1 89 ASP HA 1 90 SER H . . 3.220 2.622 2.421 2.802 . 0 0 "[ . 1 . 2]" 1
1916 1 89 ASP QB 1 90 SER H . . 4.100 3.962 3.852 4.053 . 0 0 "[ . 1 . 2]" 1
1917 1 89 ASP HB2 1 90 SER H . . 4.700 4.570 4.250 4.656 . 0 0 "[ . 1 . 2]" 1
1918 1 89 ASP HB3 1 90 SER H . . 4.700 4.357 4.211 4.633 . 0 0 "[ . 1 . 2]" 1
1919 1 90 SER H 1 90 SER QB . . 3.730 2.561 2.237 3.024 . 0 0 "[ . 1 . 2]" 1
1920 1 90 SER H 1 91 GLY H . . 4.220 3.069 2.065 4.190 . 0 0 "[ . 1 . 2]" 1
1921 1 90 SER H 1 91 GLY QA . . 5.480 4.459 3.869 4.957 . 0 0 "[ . 1 . 2]" 1
1922 1 90 SER QB 1 91 GLY H . . 4.940 3.338 2.442 4.061 . 0 0 "[ . 1 . 2]" 1
1923 1 91 GLY H 1 92 PRO QD . . 5.160 3.670 2.200 4.362 . 0 0 "[ . 1 . 2]" 1
1924 1 91 GLY QA 1 92 PRO QD . . 2.940 1.964 1.905 2.183 . 0 0 "[ . 1 . 2]" 1
1925 1 94 SER QB 1 95 GLY H . . 4.930 3.037 2.346 3.959 . 0 0 "[ . 1 . 2]" 1
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