NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402714 |
1wfw   |
10009 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wfw
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 1436
_Distance_constraint_stats_list.Viol_count 347
_Distance_constraint_stats_list.Viol_total 37.839
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0013
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0055
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 THR 0.003 0.001 13 0 "[ . 1 . 2]"
1 10 MET 0.023 0.007 7 0 "[ . 1 . 2]"
1 11 THR 0.033 0.011 4 0 "[ . 1 . 2]"
1 12 VAL 0.033 0.011 4 0 "[ . 1 . 2]"
1 13 ILE 0.035 0.018 11 0 "[ . 1 . 2]"
1 14 LYS 0.094 0.063 14 0 "[ . 1 . 2]"
1 15 ASP 0.008 0.008 11 0 "[ . 1 . 2]"
1 16 TYR 0.014 0.004 19 0 "[ . 1 . 2]"
1 17 TYR 0.120 0.021 2 0 "[ . 1 . 2]"
1 18 ALA 0.006 0.006 12 0 "[ . 1 . 2]"
1 19 LEU 0.012 0.006 12 0 "[ . 1 . 2]"
1 20 LYS 0.109 0.021 11 0 "[ . 1 . 2]"
1 21 GLU 0.082 0.021 11 0 "[ . 1 . 2]"
1 22 ASN 0.011 0.004 17 0 "[ . 1 . 2]"
1 23 GLU 0.107 0.035 12 0 "[ . 1 . 2]"
1 24 ILE 0.076 0.018 10 0 "[ . 1 . 2]"
1 25 CYS 0.002 0.002 7 0 "[ . 1 . 2]"
1 26 VAL 0.016 0.004 15 0 "[ . 1 . 2]"
1 27 SER 0.081 0.024 4 0 "[ . 1 . 2]"
1 28 GLN 0.050 0.017 15 0 "[ . 1 . 2]"
1 29 GLY 0.025 0.017 15 0 "[ . 1 . 2]"
1 30 GLU 0.026 0.009 15 0 "[ . 1 . 2]"
1 31 VAL 0.013 0.003 7 0 "[ . 1 . 2]"
1 32 VAL 0.052 0.008 11 0 "[ . 1 . 2]"
1 33 GLN 0.030 0.015 13 0 "[ . 1 . 2]"
1 34 VAL 0.068 0.020 19 0 "[ . 1 . 2]"
1 35 LEU 0.011 0.004 19 0 "[ . 1 . 2]"
1 36 ALA 0.126 0.020 7 0 "[ . 1 . 2]"
1 37 VAL 0.259 0.036 9 0 "[ . 1 . 2]"
1 38 ASN 0.038 0.019 7 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLN 0.413 0.098 20 0 "[ . 1 . 2]"
1 41 ASN 0.002 0.002 13 0 "[ . 1 . 2]"
1 42 MET 0.065 0.019 7 0 "[ . 1 . 2]"
1 43 CYS 0.066 0.015 19 0 "[ . 1 . 2]"
1 44 LEU 0.028 0.009 19 0 "[ . 1 . 2]"
1 45 VAL 0.069 0.009 19 0 "[ . 1 . 2]"
1 46 TYR 0.041 0.005 19 0 "[ . 1 . 2]"
1 47 GLN 0.108 0.012 13 0 "[ . 1 . 2]"
1 48 PRO 0.022 0.011 14 0 "[ . 1 . 2]"
1 49 ALA 0.005 0.003 19 0 "[ . 1 . 2]"
1 50 SER 0.005 0.002 18 0 "[ . 1 . 2]"
1 51 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.003 0.003 13 0 "[ . 1 . 2]"
1 53 SER 0.008 0.003 13 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 13 0 "[ . 1 . 2]"
1 55 ALA 0.038 0.011 14 0 "[ . 1 . 2]"
1 56 ALA 0.038 0.012 13 0 "[ . 1 . 2]"
1 57 GLU 0.081 0.015 10 0 "[ . 1 . 2]"
1 58 GLY 0.081 0.016 10 0 "[ . 1 . 2]"
1 59 TRP 0.092 0.025 10 0 "[ . 1 . 2]"
1 60 VAL 0.063 0.025 10 0 "[ . 1 . 2]"
1 61 PRO 0.042 0.012 3 0 "[ . 1 . 2]"
1 62 GLY 0.018 0.005 14 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ILE 0.107 0.063 14 0 "[ . 1 . 2]"
1 65 LEU 0.004 0.002 13 0 "[ . 1 . 2]"
1 66 ALA 0.001 0.001 18 0 "[ . 1 . 2]"
1 67 PRO 0.020 0.007 7 0 "[ . 1 . 2]"
1 68 PHE 0.024 0.007 7 0 "[ . 1 . 2]"
1 70 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 PRO 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 6 SER HA 1 7 GLY QA . . 4.690 4.078 3.891 4.523 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 33 GLN QB . . 4.900 3.795 3.218 4.225 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 34 VAL HB . . 4.750 4.202 3.457 4.673 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 35 LEU MD2 . . 4.160 3.748 3.196 4.044 . 0 0 "[ . 1 . 2]" 1
5 1 8 SER H 1 34 VAL HB . . 4.920 2.987 2.414 3.481 . 0 0 "[ . 1 . 2]" 1
6 1 8 SER HA 1 9 THR H . . 3.280 2.157 2.138 2.220 . 0 0 "[ . 1 . 2]" 1
7 1 8 SER QB 1 9 THR H . . 3.810 3.342 2.938 3.769 . 0 0 "[ . 1 . 2]" 1
8 1 8 SER QB 1 9 THR HA . . 4.890 4.504 4.310 4.781 . 0 0 "[ . 1 . 2]" 1
9 1 8 SER QB 1 10 MET ME . . 4.910 4.487 3.852 4.813 . 0 0 "[ . 1 . 2]" 1
10 1 8 SER QB 1 10 MET QG . . 4.080 3.216 3.062 3.598 . 0 0 "[ . 1 . 2]" 1
11 1 8 SER QB 1 34 VAL H . . 4.250 4.017 3.619 4.248 . 0 0 "[ . 1 . 2]" 1
12 1 8 SER QB 1 34 VAL HB . . 3.500 2.943 2.326 3.380 . 0 0 "[ . 1 . 2]" 1
13 1 8 SER QB 1 34 VAL MG1 . . 4.340 3.930 3.400 4.325 . 0 0 "[ . 1 . 2]" 1
14 1 8 SER QB 1 34 VAL MG2 . . 3.940 3.215 2.770 3.722 . 0 0 "[ . 1 . 2]" 1
15 1 9 THR H 1 9 THR HB . . 3.480 2.662 2.586 2.801 . 0 0 "[ . 1 . 2]" 1
16 1 9 THR H 1 9 THR MG . . 4.280 3.798 3.761 3.846 . 0 0 "[ . 1 . 2]" 1
17 1 9 THR H 1 10 MET H . . 4.900 4.502 4.420 4.622 . 0 0 "[ . 1 . 2]" 1
18 1 9 THR H 1 10 MET QG . . 5.500 4.355 4.176 4.512 . 0 0 "[ . 1 . 2]" 1
19 1 9 THR H 1 33 GLN QG . . 5.340 4.171 3.702 4.833 . 0 0 "[ . 1 . 2]" 1
20 1 9 THR HA 1 9 THR MG . . 3.180 2.253 2.133 2.374 . 0 0 "[ . 1 . 2]" 1
21 1 9 THR HA 1 10 MET H . . 2.910 2.164 2.143 2.255 . 0 0 "[ . 1 . 2]" 1
22 1 9 THR HB 1 10 MET H . . 4.190 4.061 3.766 4.191 0.001 18 0 "[ . 1 . 2]" 1
23 1 9 THR HB 1 31 VAL MG1 . . 4.170 3.971 3.651 4.114 . 0 0 "[ . 1 . 2]" 1
24 1 9 THR HB 1 68 PHE HB2 . . 4.600 4.444 4.123 4.601 0.001 3 0 "[ . 1 . 2]" 1
25 1 9 THR HB 1 68 PHE HB3 . . 4.090 3.086 2.905 3.327 . 0 0 "[ . 1 . 2]" 1
26 1 9 THR HB 1 68 PHE QD . . 4.320 3.258 2.911 3.713 . 0 0 "[ . 1 . 2]" 1
27 1 9 THR MG 1 10 MET H . . 3.470 2.544 2.069 2.886 . 0 0 "[ . 1 . 2]" 1
28 1 9 THR MG 1 10 MET HA . . 4.420 3.837 3.556 4.092 . 0 0 "[ . 1 . 2]" 1
29 1 9 THR MG 1 31 VAL HB . . 4.180 4.070 3.793 4.180 . 0 0 "[ . 1 . 2]" 1
30 1 9 THR MG 1 31 VAL MG1 . . 2.870 1.896 1.667 2.034 . 0 0 "[ . 1 . 2]" 1
31 1 9 THR MG 1 32 VAL H . . 4.140 3.577 3.126 3.989 . 0 0 "[ . 1 . 2]" 1
32 1 9 THR MG 1 33 GLN QB . . 4.450 4.368 4.214 4.448 . 0 0 "[ . 1 . 2]" 1
33 1 9 THR MG 1 33 GLN HE21 . . 5.050 3.568 2.013 5.037 . 0 0 "[ . 1 . 2]" 1
34 1 9 THR MG 1 33 GLN QE . . 4.440 3.312 1.992 4.296 . 0 0 "[ . 1 . 2]" 1
35 1 9 THR MG 1 33 GLN HE22 . . 5.050 4.344 3.100 5.048 . 0 0 "[ . 1 . 2]" 1
36 1 9 THR MG 1 33 GLN HG2 . . 4.730 3.679 2.851 4.204 . 0 0 "[ . 1 . 2]" 1
37 1 9 THR MG 1 33 GLN QG . . 3.890 2.649 2.336 2.898 . 0 0 "[ . 1 . 2]" 1
38 1 9 THR MG 1 33 GLN HG3 . . 4.730 2.782 2.395 4.152 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR MG 1 68 PHE H . . 5.140 4.646 4.350 5.036 . 0 0 "[ . 1 . 2]" 1
40 1 9 THR MG 1 68 PHE HB2 . . 3.860 3.637 3.346 3.861 0.001 13 0 "[ . 1 . 2]" 1
41 1 9 THR MG 1 68 PHE HB3 . . 3.840 3.140 2.672 3.539 . 0 0 "[ . 1 . 2]" 1
42 1 9 THR MG 1 68 PHE QD . . 3.970 2.826 2.421 3.025 . 0 0 "[ . 1 . 2]" 1
43 1 9 THR MG 1 68 PHE QE . . 4.510 4.195 3.918 4.433 . 0 0 "[ . 1 . 2]" 1
44 1 10 MET H 1 10 MET HB2 . . 3.750 2.730 2.623 2.912 . 0 0 "[ . 1 . 2]" 1
45 1 10 MET H 1 10 MET HB3 . . 4.060 3.814 3.746 3.924 . 0 0 "[ . 1 . 2]" 1
46 1 10 MET H 1 10 MET QG . . 3.730 2.805 2.661 3.011 . 0 0 "[ . 1 . 2]" 1
47 1 10 MET H 1 31 VAL MG1 . . 4.090 3.520 2.963 3.853 . 0 0 "[ . 1 . 2]" 1
48 1 10 MET H 1 32 VAL H . . 3.690 3.438 2.985 3.676 . 0 0 "[ . 1 . 2]" 1
49 1 10 MET H 1 32 VAL MG2 . . 3.990 3.307 2.877 3.545 . 0 0 "[ . 1 . 2]" 1
50 1 10 MET H 1 34 VAL MG2 . . 4.480 3.824 3.470 4.284 . 0 0 "[ . 1 . 2]" 1
51 1 10 MET HA 1 10 MET ME . . 4.120 3.808 3.366 4.114 . 0 0 "[ . 1 . 2]" 1
52 1 10 MET HA 1 10 MET QG . . 3.260 2.593 2.428 2.781 . 0 0 "[ . 1 . 2]" 1
53 1 10 MET HA 1 11 THR H . . 3.080 2.243 2.219 2.275 . 0 0 "[ . 1 . 2]" 1
54 1 10 MET HA 1 31 VAL MG1 . . 4.980 4.404 4.196 4.560 . 0 0 "[ . 1 . 2]" 1
55 1 10 MET HA 1 65 LEU HB3 . . 4.940 4.781 4.587 4.884 . 0 0 "[ . 1 . 2]" 1
56 1 10 MET HA 1 65 LEU MD2 . . 5.260 4.599 4.385 4.915 . 0 0 "[ . 1 . 2]" 1
57 1 10 MET HA 1 66 ALA H . . 4.720 3.909 3.777 4.037 . 0 0 "[ . 1 . 2]" 1
58 1 10 MET HA 1 66 ALA MB . . 4.960 4.707 4.558 4.854 . 0 0 "[ . 1 . 2]" 1
59 1 10 MET HA 1 67 PRO HA . . 4.010 3.494 3.284 3.792 . 0 0 "[ . 1 . 2]" 1
60 1 10 MET HA 1 68 PHE H . . 3.560 2.369 2.197 2.568 . 0 0 "[ . 1 . 2]" 1
61 1 10 MET HA 1 68 PHE HB2 . . 4.080 2.944 2.769 3.123 . 0 0 "[ . 1 . 2]" 1
62 1 10 MET HA 1 68 PHE HB3 . . 4.170 3.503 3.130 3.739 . 0 0 "[ . 1 . 2]" 1
63 1 10 MET HB2 1 10 MET ME . . 3.920 3.500 3.251 3.795 . 0 0 "[ . 1 . 2]" 1
64 1 10 MET HB2 1 11 THR H . . 3.890 3.868 3.784 3.891 0.001 10 0 "[ . 1 . 2]" 1
65 1 10 MET HB2 1 32 VAL H . . 5.340 4.277 4.076 4.472 . 0 0 "[ . 1 . 2]" 1
66 1 10 MET HB2 1 32 VAL MG2 . . 3.560 3.058 2.617 3.325 . 0 0 "[ . 1 . 2]" 1
67 1 10 MET HB2 1 34 VAL H . . 5.500 4.743 4.427 5.384 . 0 0 "[ . 1 . 2]" 1
68 1 10 MET HB2 1 34 VAL MG2 . . 3.690 3.241 2.952 3.632 . 0 0 "[ . 1 . 2]" 1
69 1 10 MET HB2 1 65 LEU HB3 . . 3.900 2.979 2.718 3.295 . 0 0 "[ . 1 . 2]" 1
70 1 10 MET HB2 1 65 LEU MD1 . . 4.050 3.007 2.429 3.312 . 0 0 "[ . 1 . 2]" 1
71 1 10 MET HB2 1 65 LEU MD2 . . 4.200 2.510 2.333 2.901 . 0 0 "[ . 1 . 2]" 1
72 1 10 MET HB2 1 66 ALA H . . 4.570 3.951 3.773 4.095 . 0 0 "[ . 1 . 2]" 1
73 1 10 MET HB3 1 10 MET ME . . 3.620 2.502 2.146 2.767 . 0 0 "[ . 1 . 2]" 1
74 1 10 MET HB3 1 11 THR H . . 3.480 2.878 2.774 2.966 . 0 0 "[ . 1 . 2]" 1
75 1 10 MET HB3 1 11 THR HA . . 4.990 4.747 4.645 4.827 . 0 0 "[ . 1 . 2]" 1
76 1 10 MET HB3 1 11 THR HB . . 5.450 5.352 5.263 5.432 . 0 0 "[ . 1 . 2]" 1
77 1 10 MET HB3 1 65 LEU HA . . 4.480 3.482 3.319 3.600 . 0 0 "[ . 1 . 2]" 1
78 1 10 MET HB3 1 65 LEU HB2 . . 4.200 4.092 3.808 4.201 0.001 13 0 "[ . 1 . 2]" 1
79 1 10 MET HB3 1 65 LEU HB3 . . 3.610 2.369 2.118 2.472 . 0 0 "[ . 1 . 2]" 1
80 1 10 MET HB3 1 65 LEU MD1 . . 3.870 3.615 3.305 3.868 . 0 0 "[ . 1 . 2]" 1
81 1 10 MET HB3 1 65 LEU MD2 . . 3.720 2.815 2.510 3.172 . 0 0 "[ . 1 . 2]" 1
82 1 10 MET HB3 1 66 ALA H . . 4.140 2.410 2.241 2.642 . 0 0 "[ . 1 . 2]" 1
83 1 10 MET HB3 1 66 ALA MB . . 5.120 4.336 4.172 4.511 . 0 0 "[ . 1 . 2]" 1
84 1 10 MET HB3 1 68 PHE H . . 4.840 4.320 4.152 4.566 . 0 0 "[ . 1 . 2]" 1
85 1 10 MET ME 1 10 MET QG . . 2.970 2.193 2.047 2.332 . 0 0 "[ . 1 . 2]" 1
86 1 10 MET ME 1 11 THR H . . 4.750 4.417 4.064 4.681 . 0 0 "[ . 1 . 2]" 1
87 1 10 MET ME 1 34 VAL MG2 . . 3.870 3.510 3.097 3.860 . 0 0 "[ . 1 . 2]" 1
88 1 10 MET ME 1 65 LEU H . . 5.050 4.293 4.067 4.857 . 0 0 "[ . 1 . 2]" 1
89 1 10 MET ME 1 65 LEU HA . . 4.430 3.789 3.448 4.251 . 0 0 "[ . 1 . 2]" 1
90 1 10 MET ME 1 65 LEU HB3 . . 3.380 2.181 1.918 2.659 . 0 0 "[ . 1 . 2]" 1
91 1 10 MET ME 1 65 LEU MD1 . . 3.650 3.175 2.676 3.600 . 0 0 "[ . 1 . 2]" 1
92 1 10 MET ME 1 65 LEU MD2 . . 4.260 3.823 3.573 4.159 . 0 0 "[ . 1 . 2]" 1
93 1 10 MET ME 1 66 ALA H . . 3.860 2.950 2.493 3.529 . 0 0 "[ . 1 . 2]" 1
94 1 10 MET ME 1 66 ALA HA . . 3.550 2.611 2.241 3.114 . 0 0 "[ . 1 . 2]" 1
95 1 10 MET ME 1 66 ALA MB . . 4.290 3.757 3.559 4.147 . 0 0 "[ . 1 . 2]" 1
96 1 10 MET ME 1 67 PRO HA . . 3.790 3.285 2.486 3.670 . 0 0 "[ . 1 . 2]" 1
97 1 10 MET ME 1 67 PRO QD . . 3.340 2.942 2.558 3.330 . 0 0 "[ . 1 . 2]" 1
98 1 10 MET ME 1 68 PHE H . . 4.780 4.456 3.857 4.787 0.007 7 0 "[ . 1 . 2]" 1
99 1 10 MET QG 1 11 THR H . . 4.580 4.291 4.080 4.504 . 0 0 "[ . 1 . 2]" 1
100 1 10 MET QG 1 32 VAL MG2 . . 4.430 4.142 3.853 4.384 . 0 0 "[ . 1 . 2]" 1
101 1 10 MET QG 1 34 VAL H . . 4.430 3.614 3.229 4.041 . 0 0 "[ . 1 . 2]" 1
102 1 10 MET QG 1 34 VAL HA . . 5.320 5.085 4.808 5.322 0.002 3 0 "[ . 1 . 2]" 1
103 1 10 MET QG 1 34 VAL MG2 . . 2.980 2.179 1.982 2.392 . 0 0 "[ . 1 . 2]" 1
104 1 10 MET QG 1 65 LEU HA . . 5.420 5.222 4.926 5.415 . 0 0 "[ . 1 . 2]" 1
105 1 10 MET QG 1 65 LEU HB2 . . 5.040 4.635 4.086 5.040 0.000 5 0 "[ . 1 . 2]" 1
106 1 10 MET QG 1 65 LEU HB3 . . 3.900 3.381 2.889 3.736 . 0 0 "[ . 1 . 2]" 1
107 1 10 MET QG 1 65 LEU MD1 . . 3.740 3.313 2.853 3.724 . 0 0 "[ . 1 . 2]" 1
108 1 10 MET QG 1 65 LEU MD2 . . 4.280 3.938 3.616 4.161 . 0 0 "[ . 1 . 2]" 1
109 1 10 MET QG 1 66 ALA MB . . 5.500 5.345 5.034 5.499 . 0 0 "[ . 1 . 2]" 1
110 1 10 MET QG 1 67 PRO HA . . 3.780 3.445 2.765 3.787 0.007 7 0 "[ . 1 . 2]" 1
111 1 10 MET QG 1 68 PHE H . . 4.300 3.820 3.188 4.106 . 0 0 "[ . 1 . 2]" 1
112 1 11 THR H 1 11 THR HB . . 3.290 2.584 2.513 2.685 . 0 0 "[ . 1 . 2]" 1
113 1 11 THR H 1 11 THR MG . . 3.980 3.829 3.794 3.864 . 0 0 "[ . 1 . 2]" 1
114 1 11 THR H 1 31 VAL HA . . 5.230 4.878 4.725 5.080 . 0 0 "[ . 1 . 2]" 1
115 1 11 THR H 1 31 VAL MG2 . . 4.870 4.755 4.495 4.871 0.001 19 0 "[ . 1 . 2]" 1
116 1 11 THR H 1 66 ALA MB . . 4.680 3.472 3.218 3.715 . 0 0 "[ . 1 . 2]" 1
117 1 11 THR H 1 68 PHE H . . 4.720 3.389 3.168 3.537 . 0 0 "[ . 1 . 2]" 1
118 1 11 THR H 1 68 PHE HA . . 4.510 4.278 3.974 4.472 . 0 0 "[ . 1 . 2]" 1
119 1 11 THR H 1 68 PHE HB2 . . 4.560 2.847 2.657 3.121 . 0 0 "[ . 1 . 2]" 1
120 1 11 THR H 1 68 PHE HB3 . . 4.900 4.318 4.146 4.599 . 0 0 "[ . 1 . 2]" 1
121 1 11 THR HA 1 11 THR MG . . 3.460 2.384 2.278 2.472 . 0 0 "[ . 1 . 2]" 1
122 1 11 THR HA 1 12 VAL H . . 2.930 2.155 2.142 2.173 . 0 0 "[ . 1 . 2]" 1
123 1 11 THR HA 1 12 VAL HA . . 4.960 4.359 4.346 4.381 . 0 0 "[ . 1 . 2]" 1
124 1 11 THR HA 1 12 VAL HB . . 4.740 4.718 4.658 4.751 0.011 4 0 "[ . 1 . 2]" 1
125 1 11 THR HA 1 31 VAL HA . . 3.350 2.290 2.128 2.536 . 0 0 "[ . 1 . 2]" 1
126 1 11 THR HA 1 31 VAL HB . . 5.050 4.947 4.803 5.049 . 0 0 "[ . 1 . 2]" 1
127 1 11 THR HA 1 31 VAL MG1 . . 4.110 3.276 3.004 3.517 . 0 0 "[ . 1 . 2]" 1
128 1 11 THR HA 1 31 VAL MG2 . . 3.580 2.844 2.606 3.191 . 0 0 "[ . 1 . 2]" 1
129 1 11 THR HA 1 32 VAL H . . 4.010 3.457 3.189 3.846 . 0 0 "[ . 1 . 2]" 1
130 1 11 THR HA 1 32 VAL MG2 . . 5.260 4.237 3.951 4.662 . 0 0 "[ . 1 . 2]" 1
131 1 11 THR HA 1 65 LEU MD2 . . 5.500 4.280 3.977 4.561 . 0 0 "[ . 1 . 2]" 1
132 1 11 THR HB 1 12 VAL H . . 4.230 4.171 4.048 4.238 0.008 4 0 "[ . 1 . 2]" 1
133 1 11 THR HB 1 12 VAL HA . . 5.500 5.320 5.221 5.404 . 0 0 "[ . 1 . 2]" 1
134 1 11 THR HB 1 13 ILE MG . . 4.220 4.046 3.831 4.217 . 0 0 "[ . 1 . 2]" 1
135 1 11 THR HB 1 29 GLY HA2 . . 5.500 5.383 4.921 5.500 . 0 0 "[ . 1 . 2]" 1
136 1 11 THR HB 1 31 VAL MG1 . . 5.150 4.849 4.603 5.151 0.001 8 0 "[ . 1 . 2]" 1
137 1 11 THR HB 1 31 VAL MG2 . . 4.120 4.010 3.873 4.122 0.002 13 0 "[ . 1 . 2]" 1
138 1 11 THR HB 1 66 ALA H . . 4.690 4.473 4.219 4.669 . 0 0 "[ . 1 . 2]" 1
139 1 11 THR HB 1 66 ALA MB . . 3.830 3.627 3.207 3.823 . 0 0 "[ . 1 . 2]" 1
140 1 11 THR HB 1 68 PHE H . . 5.500 4.971 4.719 5.150 . 0 0 "[ . 1 . 2]" 1
141 1 11 THR HB 1 68 PHE HB2 . . 4.230 3.443 3.272 3.621 . 0 0 "[ . 1 . 2]" 1
142 1 11 THR HB 1 68 PHE HB3 . . 5.360 5.189 5.010 5.362 0.002 14 0 "[ . 1 . 2]" 1
143 1 11 THR HB 1 68 PHE QD . . 4.440 3.489 3.314 3.660 . 0 0 "[ . 1 . 2]" 1
144 1 11 THR HB 1 68 PHE QE . . 5.400 5.052 4.731 5.269 . 0 0 "[ . 1 . 2]" 1
145 1 11 THR MG 1 12 VAL H . . 3.610 2.483 2.326 2.677 . 0 0 "[ . 1 . 2]" 1
146 1 11 THR MG 1 12 VAL HA . . 4.800 4.144 4.000 4.356 . 0 0 "[ . 1 . 2]" 1
147 1 11 THR MG 1 12 VAL HB . . 4.390 3.693 3.552 3.842 . 0 0 "[ . 1 . 2]" 1
148 1 11 THR MG 1 29 GLY H . . 3.470 3.173 2.756 3.464 . 0 0 "[ . 1 . 2]" 1
149 1 11 THR MG 1 29 GLY HA2 . . 4.760 2.746 2.454 2.891 . 0 0 "[ . 1 . 2]" 1
150 1 11 THR MG 1 29 GLY HA3 . . 4.100 3.977 3.678 4.100 . 0 0 "[ . 1 . 2]" 1
151 1 11 THR MG 1 31 VAL HA . . 4.130 3.459 3.150 3.723 . 0 0 "[ . 1 . 2]" 1
152 1 11 THR MG 1 31 VAL MG2 . . 3.440 2.232 1.933 2.468 . 0 0 "[ . 1 . 2]" 1
153 1 11 THR MG 1 68 PHE HB2 . . 4.590 4.361 4.158 4.592 0.002 4 0 "[ . 1 . 2]" 1
154 1 11 THR MG 1 68 PHE QD . . 4.230 3.904 3.602 4.144 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL H 1 12 VAL HB . . 3.150 2.618 2.553 2.713 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL H 1 12 VAL MG1 . . 4.050 3.762 3.753 3.766 . 0 0 "[ . 1 . 2]" 1
157 1 12 VAL H 1 12 VAL MG2 . . 3.060 2.000 1.880 2.209 . 0 0 "[ . 1 . 2]" 1
158 1 12 VAL H 1 13 ILE H . . 4.840 4.534 4.433 4.618 . 0 0 "[ . 1 . 2]" 1
159 1 12 VAL H 1 29 GLY H . . 4.260 3.724 3.564 3.953 . 0 0 "[ . 1 . 2]" 1
160 1 12 VAL H 1 30 GLU H . . 4.380 4.208 3.972 4.355 . 0 0 "[ . 1 . 2]" 1
161 1 12 VAL H 1 31 VAL HA . . 4.140 3.238 3.038 3.459 . 0 0 "[ . 1 . 2]" 1
162 1 12 VAL H 1 65 LEU MD2 . . 4.640 3.841 3.646 4.068 . 0 0 "[ . 1 . 2]" 1
163 1 12 VAL HA 1 12 VAL MG1 . . 3.210 2.359 2.234 2.461 . 0 0 "[ . 1 . 2]" 1
164 1 12 VAL HA 1 12 VAL MG2 . . 3.110 2.423 2.313 2.482 . 0 0 "[ . 1 . 2]" 1
165 1 12 VAL HA 1 13 ILE H . . 2.960 2.163 2.140 2.216 . 0 0 "[ . 1 . 2]" 1
166 1 12 VAL HA 1 13 ILE HG12 . . 4.410 3.856 3.725 4.063 . 0 0 "[ . 1 . 2]" 1
167 1 12 VAL HA 1 13 ILE HG13 . . 5.020 4.823 4.610 5.030 0.010 11 0 "[ . 1 . 2]" 1
168 1 12 VAL HA 1 14 LYS H . . 4.200 3.665 3.452 3.920 . 0 0 "[ . 1 . 2]" 1
169 1 12 VAL HA 1 29 GLY H . . 4.860 4.327 4.035 4.475 . 0 0 "[ . 1 . 2]" 1
170 1 12 VAL HA 1 64 ILE MD . . 4.710 4.038 3.646 4.319 . 0 0 "[ . 1 . 2]" 1
171 1 12 VAL HA 1 64 ILE HG13 . . 4.850 3.813 3.492 4.129 . 0 0 "[ . 1 . 2]" 1
172 1 12 VAL HA 1 65 LEU HA . . 3.550 3.051 2.690 3.224 . 0 0 "[ . 1 . 2]" 1
173 1 12 VAL HA 1 65 LEU MD2 . . 3.290 2.681 2.332 2.856 . 0 0 "[ . 1 . 2]" 1
174 1 12 VAL HA 1 66 ALA H . . 4.480 4.307 4.164 4.480 0.000 4 0 "[ . 1 . 2]" 1
175 1 12 VAL HA 1 66 ALA MB . . 5.500 5.039 4.908 5.334 . 0 0 "[ . 1 . 2]" 1
176 1 12 VAL HB 1 14 LYS H . . 5.090 4.545 4.305 4.893 . 0 0 "[ . 1 . 2]" 1
177 1 12 VAL HB 1 28 GLN H . . 5.290 4.688 4.355 4.913 . 0 0 "[ . 1 . 2]" 1
178 1 12 VAL HB 1 28 GLN HA . . 3.440 2.747 2.429 3.050 . 0 0 "[ . 1 . 2]" 1
179 1 12 VAL HB 1 29 GLY H . . 3.430 2.221 1.905 2.490 . 0 0 "[ . 1 . 2]" 1
180 1 12 VAL HB 1 29 GLY HA3 . . 5.500 4.656 4.404 4.837 . 0 0 "[ . 1 . 2]" 1
181 1 12 VAL HB 1 30 GLU H . . 3.370 2.808 2.510 3.079 . 0 0 "[ . 1 . 2]" 1
182 1 12 VAL MG1 1 13 ILE H . . 3.480 2.494 1.933 2.965 . 0 0 "[ . 1 . 2]" 1
183 1 12 VAL MG1 1 13 ILE HG12 . . 4.700 4.059 3.794 4.347 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL MG1 1 14 LYS H . . 3.000 2.111 1.883 2.407 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL MG1 1 14 LYS QB . . 4.440 3.962 3.865 4.208 . 0 0 "[ . 1 . 2]" 1
186 1 12 VAL MG1 1 15 ASP H . . 4.980 4.161 3.776 4.306 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL MG1 1 15 ASP HA . . 4.470 3.150 2.818 3.297 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL MG1 1 16 TYR H . . 4.530 4.286 4.028 4.515 . 0 0 "[ . 1 . 2]" 1
189 1 12 VAL MG1 1 16 TYR HB3 . . 4.810 4.077 3.748 4.377 . 0 0 "[ . 1 . 2]" 1
190 1 12 VAL MG1 1 26 VAL H . . 5.500 5.104 4.879 5.488 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL MG1 1 26 VAL MG2 . . 2.950 2.197 1.958 2.450 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL MG1 1 27 SER H . . 4.480 3.599 3.221 3.898 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL MG1 1 27 SER HA . . 4.510 3.509 2.955 3.850 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL MG1 1 27 SER QB . . 5.340 4.496 4.159 4.807 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL MG1 1 28 GLN H . . 4.370 3.247 2.860 3.488 . 0 0 "[ . 1 . 2]" 1
196 1 12 VAL MG1 1 28 GLN HA . . 3.090 2.033 1.965 2.260 . 0 0 "[ . 1 . 2]" 1
197 1 12 VAL MG1 1 28 GLN HB3 . . 4.690 4.370 4.109 4.550 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL MG1 1 28 GLN QG . . 4.190 3.860 3.539 4.137 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL MG1 1 29 GLY H . . 3.830 3.103 2.832 3.386 . 0 0 "[ . 1 . 2]" 1
200 1 12 VAL MG1 1 29 GLY HA2 . . 5.500 5.202 4.909 5.465 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL MG1 1 29 GLY HA3 . . 5.500 5.349 5.169 5.497 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL MG1 1 30 GLU H . . 4.270 3.953 3.701 4.148 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL MG1 1 30 GLU QG . . 4.930 4.702 4.429 4.929 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL MG1 1 64 ILE HB . . 3.890 2.906 2.528 3.344 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL MG1 1 64 ILE HG13 . . 4.850 3.331 2.999 3.577 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL MG1 1 65 LEU HA . . 4.900 4.569 4.389 4.720 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL MG2 1 13 ILE H . . 4.260 4.076 3.942 4.167 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL MG2 1 27 SER H . . 4.390 3.418 3.198 3.738 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL MG2 1 27 SER QB . . 5.340 5.078 4.879 5.332 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL MG2 1 28 GLN HA . . 4.510 4.147 3.933 4.375 . 0 0 "[ . 1 . 2]" 1
211 1 12 VAL MG2 1 29 GLY H . . 4.260 3.874 3.601 4.097 . 0 0 "[ . 1 . 2]" 1
212 1 12 VAL MG2 1 30 GLU H . . 4.050 3.487 3.302 3.739 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG2 1 30 GLU HB2 . . 3.240 2.172 1.984 2.399 . 0 0 "[ . 1 . 2]" 1
214 1 12 VAL MG2 1 30 GLU HB3 . . 3.650 2.956 2.604 3.290 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG2 1 30 GLU QG . . 3.960 3.752 3.604 3.911 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG2 1 65 LEU HA . . 5.190 4.318 4.021 4.534 . 0 0 "[ . 1 . 2]" 1
217 1 13 ILE H 1 13 ILE HB . . 3.830 3.676 3.633 3.734 . 0 0 "[ . 1 . 2]" 1
218 1 13 ILE H 1 13 ILE MD . . 3.780 3.718 3.551 3.780 . 5 0 "[ . 1 . 2]" 1
219 1 13 ILE H 1 13 ILE HG12 . . 3.610 2.071 1.886 2.224 . 0 0 "[ . 1 . 2]" 1
220 1 13 ILE H 1 13 ILE HG13 . . 3.570 2.763 2.540 3.052 . 0 0 "[ . 1 . 2]" 1
221 1 13 ILE H 1 13 ILE MG . . 3.460 2.705 2.344 2.987 . 0 0 "[ . 1 . 2]" 1
222 1 13 ILE H 1 14 LYS H . . 3.210 2.155 1.916 2.375 . 0 0 "[ . 1 . 2]" 1
223 1 13 ILE H 1 28 GLN HA . . 4.820 4.287 3.722 4.738 . 0 0 "[ . 1 . 2]" 1
224 1 13 ILE H 1 64 ILE HA . . 4.520 3.736 3.417 4.026 . 0 0 "[ . 1 . 2]" 1
225 1 13 ILE H 1 64 ILE HB . . 4.360 3.347 2.926 3.779 . 0 0 "[ . 1 . 2]" 1
226 1 13 ILE H 1 64 ILE MD . . 4.880 4.393 3.964 4.754 . 0 0 "[ . 1 . 2]" 1
227 1 13 ILE H 1 64 ILE MG . . 5.340 4.730 4.420 5.090 . 0 0 "[ . 1 . 2]" 1
228 1 13 ILE H 1 65 LEU HA . . 4.040 3.565 3.189 3.921 . 0 0 "[ . 1 . 2]" 1
229 1 13 ILE H 1 65 LEU MD2 . . 4.200 3.993 3.557 4.195 . 0 0 "[ . 1 . 2]" 1
230 1 13 ILE H 1 66 ALA MB . . 4.900 4.495 4.106 4.861 . 0 0 "[ . 1 . 2]" 1
231 1 13 ILE HA 1 13 ILE MG . . 2.990 2.262 2.166 2.407 . 0 0 "[ . 1 . 2]" 1
232 1 13 ILE HA 1 28 GLN HA . . 4.620 3.941 3.466 4.404 . 0 0 "[ . 1 . 2]" 1
233 1 13 ILE HA 1 28 GLN QE . . 5.340 4.504 3.602 5.341 0.001 10 0 "[ . 1 . 2]" 1
234 1 13 ILE HA 1 28 GLN QG . . 3.790 2.810 2.211 3.240 . 0 0 "[ . 1 . 2]" 1
235 1 13 ILE HA 1 29 GLY H . . 4.650 3.922 3.324 4.320 . 0 0 "[ . 1 . 2]" 1
236 1 13 ILE HA 1 66 ALA MB . . 5.500 4.719 4.362 5.107 . 0 0 "[ . 1 . 2]" 1
237 1 13 ILE HB 1 13 ILE MD . . 3.130 2.343 2.269 2.516 . 0 0 "[ . 1 . 2]" 1
238 1 13 ILE HB 1 14 LYS H . . 4.160 3.921 3.710 4.107 . 0 0 "[ . 1 . 2]" 1
239 1 13 ILE HB 1 28 GLN QG . . 4.730 4.464 3.971 4.727 . 0 0 "[ . 1 . 2]" 1
240 1 13 ILE HB 1 66 ALA MB . . 5.500 4.380 4.136 4.697 . 0 0 "[ . 1 . 2]" 1
241 1 13 ILE MD 1 14 LYS H . . 4.410 4.016 3.785 4.185 . 0 0 "[ . 1 . 2]" 1
242 1 13 ILE MD 1 14 LYS QB . . 4.320 3.923 3.744 4.108 . 0 0 "[ . 1 . 2]" 1
243 1 13 ILE MD 1 14 LYS QD . . 4.010 2.886 2.317 3.855 . 0 0 "[ . 1 . 2]" 1
244 1 13 ILE MD 1 14 LYS QE . . 4.680 3.279 1.843 4.677 . 0 0 "[ . 1 . 2]" 1
245 1 13 ILE MD 1 14 LYS QG . . 4.300 2.884 2.456 3.186 . 0 0 "[ . 1 . 2]" 1
246 1 13 ILE MD 1 63 SER HA . . 5.380 4.588 4.308 4.962 . 0 0 "[ . 1 . 2]" 1
247 1 13 ILE MD 1 64 ILE HA . . 3.500 2.327 2.098 2.627 . 0 0 "[ . 1 . 2]" 1
248 1 13 ILE MD 1 64 ILE HB . . 4.500 4.131 3.864 4.398 . 0 0 "[ . 1 . 2]" 1
249 1 13 ILE MD 1 65 LEU H . . 4.410 3.707 3.124 4.251 . 0 0 "[ . 1 . 2]" 1
250 1 13 ILE MD 1 66 ALA H . . 5.210 4.951 4.578 5.197 . 0 0 "[ . 1 . 2]" 1
251 1 13 ILE MD 1 66 ALA MB . . 3.420 3.149 2.729 3.356 . 0 0 "[ . 1 . 2]" 1
252 1 13 ILE HG12 1 13 ILE MG . . 3.340 2.263 2.143 2.377 . 0 0 "[ . 1 . 2]" 1
253 1 13 ILE HG12 1 14 LYS H . . 4.060 3.068 2.841 3.406 . 0 0 "[ . 1 . 2]" 1
254 1 13 ILE HG12 1 14 LYS QB . . 4.480 4.381 4.175 4.480 . 0 0 "[ . 1 . 2]" 1
255 1 13 ILE HG12 1 14 LYS QD . . 5.380 4.452 3.732 5.353 . 0 0 "[ . 1 . 2]" 1
256 1 13 ILE HG12 1 14 LYS QG . . 4.370 3.721 2.995 3.967 . 0 0 "[ . 1 . 2]" 1
257 1 13 ILE HG12 1 64 ILE HA . . 4.030 2.458 2.246 2.849 . 0 0 "[ . 1 . 2]" 1
258 1 13 ILE HG12 1 64 ILE HB . . 4.790 3.485 3.249 3.887 . 0 0 "[ . 1 . 2]" 1
259 1 13 ILE HG12 1 65 LEU HA . . 4.900 3.630 3.218 3.860 . 0 0 "[ . 1 . 2]" 1
260 1 13 ILE HG12 1 66 ALA H . . 4.850 4.648 4.400 4.846 . 0 0 "[ . 1 . 2]" 1
261 1 13 ILE HG13 1 13 ILE MG . . 3.330 3.185 3.156 3.201 . 0 0 "[ . 1 . 2]" 1
262 1 13 ILE HG13 1 14 LYS H . . 4.500 2.380 2.096 2.696 . 0 0 "[ . 1 . 2]" 1
263 1 13 ILE HG13 1 14 LYS HA . . 4.810 4.115 3.975 4.295 . 0 0 "[ . 1 . 2]" 1
264 1 13 ILE HG13 1 14 LYS QB . . 5.030 2.998 2.882 3.124 . 0 0 "[ . 1 . 2]" 1
265 1 13 ILE HG13 1 14 LYS QD . . 5.500 3.096 2.424 3.839 . 0 0 "[ . 1 . 2]" 1
266 1 13 ILE HG13 1 64 ILE HA . . 4.050 2.584 2.308 2.846 . 0 0 "[ . 1 . 2]" 1
267 1 13 ILE HG13 1 64 ILE HB . . 4.940 3.280 2.897 3.508 . 0 0 "[ . 1 . 2]" 1
268 1 13 ILE HG13 1 65 LEU HA . . 5.490 5.259 4.912 5.491 0.001 15 0 "[ . 1 . 2]" 1
269 1 13 ILE MG 1 14 LYS H . . 4.470 4.061 3.983 4.133 . 0 0 "[ . 1 . 2]" 1
270 1 13 ILE MG 1 14 LYS QB . . 5.500 5.324 5.129 5.401 . 0 0 "[ . 1 . 2]" 1
271 1 13 ILE MG 1 14 LYS QD . . 5.500 5.092 4.641 5.518 0.018 11 0 "[ . 1 . 2]" 1
272 1 13 ILE MG 1 65 LEU HA . . 4.440 3.713 3.392 3.991 . 0 0 "[ . 1 . 2]" 1
273 1 13 ILE MG 1 66 ALA H . . 3.950 3.479 3.136 3.768 . 0 0 "[ . 1 . 2]" 1
274 1 13 ILE MG 1 66 ALA HA . . 4.790 4.067 3.810 4.491 . 0 0 "[ . 1 . 2]" 1
275 1 13 ILE MG 1 66 ALA MB . . 2.860 1.990 1.797 2.275 . 0 0 "[ . 1 . 2]" 1
276 1 14 LYS H 1 14 LYS QB . . 3.570 2.810 2.681 3.240 . 0 0 "[ . 1 . 2]" 1
277 1 14 LYS H 1 14 LYS QG . . 4.160 2.976 2.296 3.237 . 0 0 "[ . 1 . 2]" 1
278 1 14 LYS H 1 15 ASP H . . 4.600 4.377 4.280 4.425 . 0 0 "[ . 1 . 2]" 1
279 1 14 LYS H 1 28 GLN HA . . 4.200 3.595 3.329 3.856 . 0 0 "[ . 1 . 2]" 1
280 1 14 LYS H 1 28 GLN QG . . 5.270 4.197 3.633 4.588 . 0 0 "[ . 1 . 2]" 1
281 1 14 LYS H 1 64 ILE HB . . 3.750 2.577 2.288 2.837 . 0 0 "[ . 1 . 2]" 1
282 1 14 LYS H 1 64 ILE HG13 . . 4.810 4.519 4.239 4.716 . 0 0 "[ . 1 . 2]" 1
283 1 14 LYS H 1 64 ILE MG . . 4.200 3.830 3.514 4.192 . 0 0 "[ . 1 . 2]" 1
284 1 14 LYS HA 1 14 LYS QD . . 4.390 4.158 4.072 4.324 . 0 0 "[ . 1 . 2]" 1
285 1 14 LYS HA 1 14 LYS QE . . 5.170 4.581 4.050 4.999 . 0 0 "[ . 1 . 2]" 1
286 1 14 LYS HA 1 14 LYS QG . . 3.740 2.565 2.419 3.338 . 0 0 "[ . 1 . 2]" 1
287 1 14 LYS HA 1 15 ASP H . . 3.160 2.290 2.196 2.388 . 0 0 "[ . 1 . 2]" 1
288 1 14 LYS HA 1 28 GLN HA . . 4.890 3.750 3.268 4.280 . 0 0 "[ . 1 . 2]" 1
289 1 14 LYS HA 1 28 GLN HB2 . . 3.600 2.211 2.049 2.483 . 0 0 "[ . 1 . 2]" 1
290 1 14 LYS HA 1 28 GLN HB3 . . 3.950 3.827 3.551 3.949 . 0 0 "[ . 1 . 2]" 1
291 1 14 LYS HA 1 28 GLN QE . . 5.340 4.527 2.660 5.290 . 0 0 "[ . 1 . 2]" 1
292 1 14 LYS QB 1 14 LYS QE . . 4.440 2.840 1.989 3.574 . 0 0 "[ . 1 . 2]" 1
293 1 14 LYS QB 1 15 ASP H . . 3.790 2.680 2.464 2.960 . 0 0 "[ . 1 . 2]" 1
294 1 14 LYS QB 1 15 ASP QB . . 4.840 4.333 4.008 4.802 . 0 0 "[ . 1 . 2]" 1
295 1 14 LYS QB 1 64 ILE HA . . 4.920 3.645 3.200 4.490 . 0 0 "[ . 1 . 2]" 1
296 1 14 LYS QB 1 64 ILE HB . . 4.300 2.960 2.600 3.988 . 0 0 "[ . 1 . 2]" 1
297 1 14 LYS QB 1 64 ILE MG . . 3.470 2.503 2.012 3.533 0.063 14 0 "[ . 1 . 2]" 1
298 1 14 LYS QD 1 15 ASP H . . 5.500 5.114 4.754 5.482 . 0 0 "[ . 1 . 2]" 1
299 1 14 LYS QD 1 64 ILE HA . . 5.170 3.614 2.598 4.807 . 0 0 "[ . 1 . 2]" 1
300 1 14 LYS QD 1 64 ILE HB . . 5.000 4.242 3.465 4.989 . 0 0 "[ . 1 . 2]" 1
301 1 14 LYS QD 1 64 ILE MG . . 3.880 2.947 1.960 3.881 0.001 11 0 "[ . 1 . 2]" 1
302 1 14 LYS QE 1 64 ILE MG . . 4.410 3.968 2.309 4.410 0.000 10 0 "[ . 1 . 2]" 1
303 1 14 LYS QG 1 15 ASP H . . 4.210 4.015 3.865 4.169 . 0 0 "[ . 1 . 2]" 1
304 1 14 LYS QG 1 64 ILE HB . . 4.470 4.164 1.972 4.469 . 0 0 "[ . 1 . 2]" 1
305 1 14 LYS QG 1 64 ILE MG . . 4.690 3.903 1.806 4.302 . 0 0 "[ . 1 . 2]" 1
306 1 14 LYS HG2 1 15 ASP H . . 4.990 4.310 4.052 4.734 . 0 0 "[ . 1 . 2]" 1
307 1 14 LYS HG3 1 15 ASP H . . 4.990 4.841 4.101 4.998 0.008 11 0 "[ . 1 . 2]" 1
308 1 15 ASP H 1 15 ASP QB . . 3.260 2.427 2.158 2.762 . 0 0 "[ . 1 . 2]" 1
309 1 15 ASP H 1 28 GLN H . . 4.390 3.583 3.046 4.035 . 0 0 "[ . 1 . 2]" 1
310 1 15 ASP H 1 28 GLN HB2 . . 3.960 3.034 2.600 3.468 . 0 0 "[ . 1 . 2]" 1
311 1 15 ASP H 1 28 GLN HB3 . . 4.250 4.085 3.799 4.250 0.000 7 0 "[ . 1 . 2]" 1
312 1 15 ASP H 1 64 ILE MD . . 5.500 5.157 4.917 5.497 . 0 0 "[ . 1 . 2]" 1
313 1 15 ASP HA 1 16 TYR H . . 2.890 2.343 2.216 2.471 . 0 0 "[ . 1 . 2]" 1
314 1 15 ASP HA 1 26 VAL MG2 . . 4.390 3.409 2.922 3.811 . 0 0 "[ . 1 . 2]" 1
315 1 15 ASP HA 1 27 SER HA . . 3.520 2.412 2.000 3.002 . 0 0 "[ . 1 . 2]" 1
316 1 15 ASP HA 1 27 SER QB . . 5.070 4.421 4.143 4.738 . 0 0 "[ . 1 . 2]" 1
317 1 15 ASP HA 1 28 GLN H . . 3.530 2.832 2.632 3.030 . 0 0 "[ . 1 . 2]" 1
318 1 15 ASP QB 1 16 TYR H . . 3.580 2.790 2.278 3.517 . 0 0 "[ . 1 . 2]" 1
319 1 15 ASP QB 1 17 TYR QE . . 4.920 4.251 3.559 4.888 . 0 0 "[ . 1 . 2]" 1
320 1 15 ASP QB 1 27 SER HA . . 4.350 3.229 2.778 4.050 . 0 0 "[ . 1 . 2]" 1
321 1 15 ASP QB 1 28 GLN H . . 4.490 3.332 2.750 4.072 . 0 0 "[ . 1 . 2]" 1
322 1 16 TYR H 1 16 TYR HB2 . . 3.770 3.483 3.288 3.610 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR H 1 16 TYR HB3 . . 3.620 2.899 2.719 3.037 . 0 0 "[ . 1 . 2]" 1
324 1 16 TYR H 1 16 TYR QD . . 4.420 4.340 4.203 4.417 . 0 0 "[ . 1 . 2]" 1
325 1 16 TYR H 1 17 TYR H . . 4.890 4.241 4.025 4.423 . 0 0 "[ . 1 . 2]" 1
326 1 16 TYR H 1 26 VAL H . . 3.700 3.313 3.048 3.524 . 0 0 "[ . 1 . 2]" 1
327 1 16 TYR H 1 26 VAL MG2 . . 3.770 2.804 2.102 3.272 . 0 0 "[ . 1 . 2]" 1
328 1 16 TYR H 1 27 SER HA . . 4.010 3.583 3.067 4.004 . 0 0 "[ . 1 . 2]" 1
329 1 16 TYR H 1 28 GLN H . . 5.010 4.954 4.739 5.014 0.004 19 0 "[ . 1 . 2]" 1
330 1 16 TYR H 1 64 ILE MD . . 4.670 3.994 3.656 4.211 . 0 0 "[ . 1 . 2]" 1
331 1 16 TYR HA 1 16 TYR QD . . 3.150 2.812 2.548 3.032 . 0 0 "[ . 1 . 2]" 1
332 1 16 TYR HA 1 17 TYR H . . 2.770 2.227 2.144 2.390 . 0 0 "[ . 1 . 2]" 1
333 1 16 TYR HA 1 17 TYR QE . . 5.150 4.250 3.846 4.771 . 0 0 "[ . 1 . 2]" 1
334 1 16 TYR HA 1 64 ILE MD . . 4.360 3.915 3.807 4.031 . 0 0 "[ . 1 . 2]" 1
335 1 16 TYR HB2 1 17 TYR H . . 4.560 3.981 3.718 4.157 . 0 0 "[ . 1 . 2]" 1
336 1 16 TYR HB2 1 26 VAL H . . 5.230 5.048 4.596 5.234 0.004 8 0 "[ . 1 . 2]" 1
337 1 16 TYR HB2 1 26 VAL MG1 . . 5.500 5.452 5.167 5.502 0.002 15 0 "[ . 1 . 2]" 1
338 1 16 TYR HB2 1 26 VAL MG2 . . 3.520 3.198 3.064 3.328 . 0 0 "[ . 1 . 2]" 1
339 1 16 TYR HB2 1 61 PRO HG2 . . 4.700 4.022 3.733 4.425 . 0 0 "[ . 1 . 2]" 1
340 1 16 TYR HB2 1 64 ILE MD . . 3.160 1.937 1.838 2.090 . 0 0 "[ . 1 . 2]" 1
341 1 16 TYR HB2 1 64 ILE HG12 . . 4.850 4.041 3.848 4.279 . 0 0 "[ . 1 . 2]" 1
342 1 16 TYR HB2 1 64 ILE HG13 . . 4.890 4.688 4.558 4.824 . 0 0 "[ . 1 . 2]" 1
343 1 16 TYR HB2 1 64 ILE MG . . 3.800 2.685 2.387 2.892 . 0 0 "[ . 1 . 2]" 1
344 1 16 TYR HB3 1 17 TYR H . . 4.600 4.064 3.712 4.315 . 0 0 "[ . 1 . 2]" 1
345 1 16 TYR HB3 1 25 CYS HA . . 4.870 4.607 4.220 4.867 . 0 0 "[ . 1 . 2]" 1
346 1 16 TYR HB3 1 26 VAL H . . 3.880 3.412 2.879 3.692 . 0 0 "[ . 1 . 2]" 1
347 1 16 TYR HB3 1 26 VAL HB . . 5.220 4.675 4.396 4.883 . 0 0 "[ . 1 . 2]" 1
348 1 16 TYR HB3 1 26 VAL MG1 . . 4.730 4.075 3.811 4.232 . 0 0 "[ . 1 . 2]" 1
349 1 16 TYR HB3 1 26 VAL MG2 . . 3.240 1.929 1.835 2.017 . 0 0 "[ . 1 . 2]" 1
350 1 16 TYR HB3 1 60 VAL HB . . 5.110 4.599 4.299 4.931 . 0 0 "[ . 1 . 2]" 1
351 1 16 TYR HB3 1 60 VAL MG1 . . 4.590 4.388 4.001 4.588 . 0 0 "[ . 1 . 2]" 1
352 1 16 TYR HB3 1 61 PRO HG2 . . 5.500 4.909 4.568 5.277 . 0 0 "[ . 1 . 2]" 1
353 1 16 TYR HB3 1 64 ILE MD . . 3.240 2.270 2.123 2.352 . 0 0 "[ . 1 . 2]" 1
354 1 16 TYR HB3 1 64 ILE HG12 . . 5.070 4.725 4.442 4.893 . 0 0 "[ . 1 . 2]" 1
355 1 16 TYR HB3 1 64 ILE HG13 . . 5.090 5.005 4.842 5.090 0.000 2 0 "[ . 1 . 2]" 1
356 1 16 TYR HB3 1 64 ILE MG . . 4.270 4.053 3.707 4.270 . 13 0 "[ . 1 . 2]" 1
357 1 16 TYR QD 1 17 TYR H . . 3.710 3.186 2.716 3.567 . 0 0 "[ . 1 . 2]" 1
358 1 16 TYR QD 1 17 TYR QB . . 5.340 4.966 4.606 5.289 . 0 0 "[ . 1 . 2]" 1
359 1 16 TYR QD 1 18 ALA HA . . 4.310 3.967 3.735 4.212 . 0 0 "[ . 1 . 2]" 1
360 1 16 TYR QD 1 18 ALA MB . . 4.690 4.281 3.854 4.481 . 0 0 "[ . 1 . 2]" 1
361 1 16 TYR QD 1 23 GLU HB3 . . 5.500 4.749 4.538 5.055 . 0 0 "[ . 1 . 2]" 1
362 1 16 TYR QD 1 25 CYS HA . . 4.050 3.412 2.936 3.792 . 0 0 "[ . 1 . 2]" 1
363 1 16 TYR QD 1 26 VAL H . . 4.230 3.416 2.752 3.872 . 0 0 "[ . 1 . 2]" 1
364 1 16 TYR QD 1 26 VAL MG2 . . 3.260 2.624 2.254 2.931 . 0 0 "[ . 1 . 2]" 1
365 1 16 TYR QD 1 60 VAL HB . . 4.460 4.079 3.473 4.420 . 0 0 "[ . 1 . 2]" 1
366 1 16 TYR QD 1 60 VAL MG1 . . 3.640 3.299 2.936 3.530 . 0 0 "[ . 1 . 2]" 1
367 1 16 TYR QD 1 61 PRO HD2 . . 4.230 3.515 3.041 3.798 . 0 0 "[ . 1 . 2]" 1
368 1 16 TYR QD 1 61 PRO HD3 . . 4.470 3.882 3.546 4.201 . 0 0 "[ . 1 . 2]" 1
369 1 16 TYR QD 1 61 PRO HG2 . . 4.530 3.725 3.115 4.057 . 0 0 "[ . 1 . 2]" 1
370 1 16 TYR QD 1 61 PRO HG3 . . 4.060 3.032 2.366 3.447 . 0 0 "[ . 1 . 2]" 1
371 1 16 TYR QD 1 64 ILE MD . . 3.360 3.043 2.882 3.239 . 0 0 "[ . 1 . 2]" 1
372 1 16 TYR QD 1 64 ILE HG12 . . 4.950 4.645 4.375 4.787 . 0 0 "[ . 1 . 2]" 1
373 1 16 TYR QD 1 64 ILE MG . . 4.340 3.378 3.040 3.589 . 0 0 "[ . 1 . 2]" 1
374 1 16 TYR QE 1 17 TYR H . . 4.690 4.106 3.540 4.582 . 0 0 "[ . 1 . 2]" 1
375 1 16 TYR QE 1 18 ALA HA . . 3.180 2.468 2.163 2.767 . 0 0 "[ . 1 . 2]" 1
376 1 16 TYR QE 1 18 ALA MB . . 3.850 3.515 2.967 3.813 . 0 0 "[ . 1 . 2]" 1
377 1 16 TYR QE 1 19 LEU H . . 3.890 3.592 3.133 3.847 . 0 0 "[ . 1 . 2]" 1
378 1 16 TYR QE 1 19 LEU QD . . 4.080 3.100 2.557 3.772 . 0 0 "[ . 1 . 2]" 1
379 1 16 TYR QE 1 23 GLU HA . . 5.110 4.778 4.484 5.056 . 0 0 "[ . 1 . 2]" 1
380 1 16 TYR QE 1 23 GLU HB2 . . 4.380 4.150 3.802 4.367 . 0 0 "[ . 1 . 2]" 1
381 1 16 TYR QE 1 23 GLU HB3 . . 3.380 2.712 2.395 2.893 . 0 0 "[ . 1 . 2]" 1
382 1 16 TYR QE 1 23 GLU HG2 . . 4.540 3.749 3.147 4.345 . 0 0 "[ . 1 . 2]" 1
383 1 16 TYR QE 1 24 ILE H . . 4.490 3.904 3.323 4.413 . 0 0 "[ . 1 . 2]" 1
384 1 16 TYR QE 1 42 MET ME . . 4.500 3.313 2.823 3.675 . 0 0 "[ . 1 . 2]" 1
385 1 16 TYR QE 1 60 VAL HA . . 3.940 3.456 2.965 3.886 . 0 0 "[ . 1 . 2]" 1
386 1 16 TYR QE 1 60 VAL HB . . 4.910 4.548 4.219 4.865 . 0 0 "[ . 1 . 2]" 1
387 1 16 TYR QE 1 60 VAL MG1 . . 3.860 3.542 3.148 3.858 . 0 0 "[ . 1 . 2]" 1
388 1 16 TYR QE 1 61 PRO HB2 . . 5.390 5.099 4.722 5.352 . 0 0 "[ . 1 . 2]" 1
389 1 16 TYR QE 1 61 PRO HD2 . . 4.410 3.649 3.357 3.795 . 0 0 "[ . 1 . 2]" 1
390 1 16 TYR QE 1 61 PRO HD3 . . 3.660 3.064 2.587 3.315 . 0 0 "[ . 1 . 2]" 1
391 1 16 TYR QE 1 61 PRO HG2 . . 4.380 4.218 3.869 4.380 0.000 5 0 "[ . 1 . 2]" 1
392 1 16 TYR QE 1 61 PRO HG3 . . 3.490 2.734 2.281 3.008 . 0 0 "[ . 1 . 2]" 1
393 1 17 TYR H 1 17 TYR HB2 . . 3.910 3.081 2.721 3.547 . 0 0 "[ . 1 . 2]" 1
394 1 17 TYR H 1 17 TYR QB . . 3.200 2.852 2.651 3.065 . 0 0 "[ . 1 . 2]" 1
395 1 17 TYR H 1 17 TYR HB3 . . 3.910 3.594 3.227 3.853 . 0 0 "[ . 1 . 2]" 1
396 1 17 TYR H 1 19 LEU QD . . 4.920 4.029 3.551 4.888 . 0 0 "[ . 1 . 2]" 1
397 1 17 TYR H 1 26 VAL H . . 5.490 5.216 4.908 5.488 . 0 0 "[ . 1 . 2]" 1
398 1 17 TYR HA 1 17 TYR QD . . 3.620 3.031 2.524 3.521 . 0 0 "[ . 1 . 2]" 1
399 1 17 TYR HA 1 17 TYR QE . . 5.500 5.057 4.664 5.521 0.021 2 0 "[ . 1 . 2]" 1
400 1 17 TYR HA 1 18 ALA H . . 2.860 2.172 2.138 2.234 . 0 0 "[ . 1 . 2]" 1
401 1 17 TYR HA 1 18 ALA HA . . 4.520 4.374 4.330 4.460 . 0 0 "[ . 1 . 2]" 1
402 1 17 TYR HA 1 18 ALA MB . . 4.190 3.973 3.909 4.007 . 0 0 "[ . 1 . 2]" 1
403 1 17 TYR HA 1 25 CYS HA . . 4.360 3.057 2.578 3.383 . 0 0 "[ . 1 . 2]" 1
404 1 17 TYR HA 1 25 CYS HB2 . . 4.750 4.085 2.637 4.750 . 0 0 "[ . 1 . 2]" 1
405 1 17 TYR HA 1 25 CYS QB . . 4.000 3.305 2.371 3.857 . 0 0 "[ . 1 . 2]" 1
406 1 17 TYR HA 1 25 CYS HB3 . . 4.750 3.681 2.688 4.742 . 0 0 "[ . 1 . 2]" 1
407 1 17 TYR HA 1 26 VAL H . . 4.370 3.957 3.442 4.303 . 0 0 "[ . 1 . 2]" 1
408 1 17 TYR QB 1 18 ALA H . . 3.710 3.201 2.868 3.592 . 0 0 "[ . 1 . 2]" 1
409 1 17 TYR QB 1 19 LEU QD . . 4.410 3.150 2.348 4.289 . 0 0 "[ . 1 . 2]" 1
410 1 17 TYR HB2 1 18 ALA H . . 4.320 3.817 3.562 4.001 . 0 0 "[ . 1 . 2]" 1
411 1 17 TYR HB3 1 18 ALA H . . 4.320 3.534 2.995 4.255 . 0 0 "[ . 1 . 2]" 1
412 1 17 TYR QD 1 19 LEU QD . . 4.310 3.240 2.497 3.569 . 0 0 "[ . 1 . 2]" 1
413 1 17 TYR QE 1 19 LEU QD . . 5.220 4.436 2.939 5.220 0.000 15 0 "[ . 1 . 2]" 1
414 1 18 ALA H 1 18 ALA MB . . 3.020 2.178 2.043 2.255 . 0 0 "[ . 1 . 2]" 1
415 1 18 ALA H 1 19 LEU H . . 4.870 4.369 3.943 4.554 . 0 0 "[ . 1 . 2]" 1
416 1 18 ALA H 1 25 CYS HA . . 3.760 2.712 2.259 3.004 . 0 0 "[ . 1 . 2]" 1
417 1 18 ALA H 1 25 CYS HB2 . . 4.890 3.981 2.734 4.610 . 0 0 "[ . 1 . 2]" 1
418 1 18 ALA H 1 25 CYS QB . . 4.290 3.223 2.348 3.869 . 0 0 "[ . 1 . 2]" 1
419 1 18 ALA H 1 25 CYS HB3 . . 4.890 3.619 2.400 4.521 . 0 0 "[ . 1 . 2]" 1
420 1 18 ALA H 1 26 VAL H . . 4.820 4.556 4.105 4.819 . 0 0 "[ . 1 . 2]" 1
421 1 18 ALA HA 1 19 LEU H . . 2.900 2.175 2.142 2.363 . 0 0 "[ . 1 . 2]" 1
422 1 18 ALA HA 1 19 LEU HA . . 4.660 4.423 4.367 4.561 . 0 0 "[ . 1 . 2]" 1
423 1 18 ALA HA 1 19 LEU HB2 . . 4.730 4.415 4.258 4.736 0.006 12 0 "[ . 1 . 2]" 1
424 1 18 ALA HA 1 20 LYS H . . 3.930 3.674 3.394 3.916 . 0 0 "[ . 1 . 2]" 1
425 1 18 ALA HA 1 23 GLU HB2 . . 3.740 3.058 2.650 3.427 . 0 0 "[ . 1 . 2]" 1
426 1 18 ALA HA 1 23 GLU HB3 . . 3.730 2.536 2.084 2.870 . 0 0 "[ . 1 . 2]" 1
427 1 18 ALA HA 1 23 GLU HG2 . . 4.950 4.455 4.004 4.948 . 0 0 "[ . 1 . 2]" 1
428 1 18 ALA HA 1 24 ILE H . . 4.670 4.214 3.836 4.654 . 0 0 "[ . 1 . 2]" 1
429 1 18 ALA MB 1 19 LEU H . . 3.730 3.355 3.077 3.667 . 0 0 "[ . 1 . 2]" 1
430 1 18 ALA MB 1 19 LEU HA . . 4.810 4.371 4.226 4.494 . 0 0 "[ . 1 . 2]" 1
431 1 18 ALA MB 1 19 LEU HB2 . . 5.500 5.132 4.846 5.478 . 0 0 "[ . 1 . 2]" 1
432 1 18 ALA MB 1 20 LYS H . . 3.980 3.540 2.976 3.927 . 0 0 "[ . 1 . 2]" 1
433 1 18 ALA MB 1 23 GLU H . . 4.550 3.983 3.625 4.360 . 0 0 "[ . 1 . 2]" 1
434 1 18 ALA MB 1 23 GLU HA . . 4.690 3.809 3.609 4.150 . 0 0 "[ . 1 . 2]" 1
435 1 18 ALA MB 1 23 GLU HB2 . . 3.220 2.459 1.992 3.077 . 0 0 "[ . 1 . 2]" 1
436 1 18 ALA MB 1 23 GLU HB3 . . 3.460 2.570 2.218 2.866 . 0 0 "[ . 1 . 2]" 1
437 1 18 ALA MB 1 23 GLU HG2 . . 4.950 4.505 4.120 4.865 . 0 0 "[ . 1 . 2]" 1
438 1 18 ALA MB 1 24 ILE H . . 3.560 2.958 2.684 3.166 . 0 0 "[ . 1 . 2]" 1
439 1 18 ALA MB 1 24 ILE MG . . 4.820 3.789 3.694 4.001 . 0 0 "[ . 1 . 2]" 1
440 1 18 ALA MB 1 25 CYS H . . 4.140 2.960 2.469 3.385 . 0 0 "[ . 1 . 2]" 1
441 1 18 ALA MB 1 25 CYS HA . . 4.400 3.185 2.721 3.404 . 0 0 "[ . 1 . 2]" 1
442 1 18 ALA MB 1 25 CYS QB . . 4.560 3.470 2.731 4.050 . 0 0 "[ . 1 . 2]" 1
443 1 18 ALA MB 1 42 MET ME . . 5.500 5.133 4.519 5.480 . 0 0 "[ . 1 . 2]" 1
444 1 19 LEU H 1 19 LEU HB2 . . 3.310 2.299 2.163 2.593 . 0 0 "[ . 1 . 2]" 1
445 1 19 LEU H 1 19 LEU HB3 . . 4.010 3.533 3.472 3.619 . 0 0 "[ . 1 . 2]" 1
446 1 19 LEU H 1 19 LEU MD1 . . 4.690 3.250 2.159 4.091 . 0 0 "[ . 1 . 2]" 1
447 1 19 LEU H 1 19 LEU QD . . 4.080 2.659 2.054 3.383 . 0 0 "[ . 1 . 2]" 1
448 1 19 LEU H 1 19 LEU MD2 . . 4.690 3.470 2.060 4.275 . 0 0 "[ . 1 . 2]" 1
449 1 19 LEU H 1 19 LEU HG . . 4.200 3.399 2.044 4.162 . 0 0 "[ . 1 . 2]" 1
450 1 19 LEU H 1 20 LYS H . . 3.070 2.403 2.207 2.637 . 0 0 "[ . 1 . 2]" 1
451 1 19 LEU H 1 23 GLU HB2 . . 4.260 3.282 2.936 4.148 . 0 0 "[ . 1 . 2]" 1
452 1 19 LEU H 1 23 GLU HB3 . . 4.350 3.524 3.016 4.294 . 0 0 "[ . 1 . 2]" 1
453 1 19 LEU H 1 23 GLU HG2 . . 4.820 4.617 4.135 4.819 . 0 0 "[ . 1 . 2]" 1
454 1 19 LEU HA 1 19 LEU QD . . 2.860 2.298 1.946 2.865 0.005 9 0 "[ . 1 . 2]" 1
455 1 19 LEU HA 1 19 LEU HG . . 4.040 2.943 2.256 3.727 . 0 0 "[ . 1 . 2]" 1
456 1 19 LEU HB2 1 20 LYS H . . 3.900 2.855 2.593 3.322 . 0 0 "[ . 1 . 2]" 1
457 1 19 LEU HB2 1 20 LYS QG . . 4.420 3.390 2.787 3.688 . 0 0 "[ . 1 . 2]" 1
458 1 19 LEU HB3 1 19 LEU MD1 . . 3.320 2.672 2.263 3.189 . 0 0 "[ . 1 . 2]" 1
459 1 19 LEU HB3 1 19 LEU MD2 . . 3.320 2.478 2.001 3.192 . 0 0 "[ . 1 . 2]" 1
460 1 19 LEU HB3 1 20 LYS H . . 4.650 3.570 3.218 4.038 . 0 0 "[ . 1 . 2]" 1
461 1 19 LEU HB3 1 20 LYS QG . . 4.460 3.488 2.901 4.410 . 0 0 "[ . 1 . 2]" 1
462 1 19 LEU QD 1 20 LYS H . . 4.790 3.987 3.773 4.391 . 0 0 "[ . 1 . 2]" 1
463 1 19 LEU HG 1 20 LYS H . . 5.200 4.831 4.169 5.191 . 0 0 "[ . 1 . 2]" 1
464 1 20 LYS H 1 20 LYS HB2 . . 3.660 2.431 2.245 2.615 . 0 0 "[ . 1 . 2]" 1
465 1 20 LYS H 1 20 LYS HB3 . . 4.040 3.642 3.493 3.764 . 0 0 "[ . 1 . 2]" 1
466 1 20 LYS H 1 20 LYS QE . . 5.390 4.824 3.832 5.386 . 0 0 "[ . 1 . 2]" 1
467 1 20 LYS H 1 20 LYS QG . . 3.860 2.808 2.579 3.227 . 0 0 "[ . 1 . 2]" 1
468 1 20 LYS H 1 23 GLU H . . 4.120 3.882 3.613 4.128 0.008 12 0 "[ . 1 . 2]" 1
469 1 20 LYS H 1 23 GLU HB2 . . 3.560 2.341 2.116 2.711 . 0 0 "[ . 1 . 2]" 1
470 1 20 LYS H 1 23 GLU HB3 . . 4.000 3.648 3.334 3.989 . 0 0 "[ . 1 . 2]" 1
471 1 20 LYS H 1 23 GLU HG2 . . 4.500 4.252 3.748 4.475 . 0 0 "[ . 1 . 2]" 1
472 1 20 LYS HA 1 20 LYS QD . . 3.860 2.818 2.011 3.841 . 0 0 "[ . 1 . 2]" 1
473 1 20 LYS HA 1 20 LYS QG . . 3.930 2.572 2.119 2.854 . 0 0 "[ . 1 . 2]" 1
474 1 20 LYS HA 1 21 GLU HA . . 4.900 4.313 4.296 4.335 . 0 0 "[ . 1 . 2]" 1
475 1 20 LYS HA 1 21 GLU QG . . 5.500 4.512 3.619 5.521 0.021 11 0 "[ . 1 . 2]" 1
476 1 20 LYS HB2 1 22 ASN H . . 4.900 3.653 3.185 4.441 . 0 0 "[ . 1 . 2]" 1
477 1 20 LYS HB2 1 23 GLU H . . 4.540 2.658 2.529 3.033 . 0 0 "[ . 1 . 2]" 1
478 1 20 LYS HB2 1 23 GLU HB3 . . 5.090 4.266 3.922 4.628 . 0 0 "[ . 1 . 2]" 1
479 1 20 LYS HB2 1 23 GLU HG2 . . 4.000 3.852 3.058 4.002 0.002 1 0 "[ . 1 . 2]" 1
480 1 20 LYS HB2 1 23 GLU HG3 . . 4.280 2.586 2.195 4.026 . 0 0 "[ . 1 . 2]" 1
481 1 20 LYS HB3 1 20 LYS QD . . 3.560 2.268 2.065 2.561 . 0 0 "[ . 1 . 2]" 1
482 1 20 LYS HB3 1 20 LYS QE . . 4.710 3.524 2.066 4.102 . 0 0 "[ . 1 . 2]" 1
483 1 20 LYS HB3 1 23 GLU HG3 . . 4.850 4.009 3.511 4.870 0.020 12 0 "[ . 1 . 2]" 1
484 1 20 LYS QG 1 23 GLU HG2 . . 4.830 4.670 4.404 4.821 . 0 0 "[ . 1 . 2]" 1
485 1 21 GLU HA 1 21 GLU QG . . 3.550 2.748 2.152 3.470 . 0 0 "[ . 1 . 2]" 1
486 1 21 GLU HA 1 23 GLU H . . 4.730 4.500 4.245 4.726 . 0 0 "[ . 1 . 2]" 1
487 1 21 GLU QB 1 22 ASN H . . 4.320 2.807 2.302 3.571 . 0 0 "[ . 1 . 2]" 1
488 1 21 GLU QB 1 23 GLU H . . 5.090 4.825 4.581 5.093 0.003 17 0 "[ . 1 . 2]" 1
489 1 21 GLU QG 1 22 ASN H . . 4.600 3.460 1.860 4.438 . 0 0 "[ . 1 . 2]" 1
490 1 22 ASN H 1 23 GLU H . . 3.560 2.641 2.347 2.907 . 0 0 "[ . 1 . 2]" 1
491 1 22 ASN HA 1 59 TRP HD1 . . 4.800 4.552 4.050 4.801 0.001 12 0 "[ . 1 . 2]" 1
492 1 22 ASN QB 1 59 TRP H . . 5.030 3.846 3.376 4.383 . 0 0 "[ . 1 . 2]" 1
493 1 22 ASN QB 1 59 TRP HB2 . . 5.010 3.988 3.494 4.579 . 0 0 "[ . 1 . 2]" 1
494 1 22 ASN QB 1 59 TRP HD1 . . 3.270 2.509 1.974 3.267 . 0 0 "[ . 1 . 2]" 1
495 1 22 ASN QB 1 59 TRP HE1 . . 4.760 3.739 3.196 4.637 . 0 0 "[ . 1 . 2]" 1
496 1 22 ASN HB2 1 23 GLU H . . 4.050 3.367 2.626 3.795 . 0 0 "[ . 1 . 2]" 1
497 1 22 ASN HB3 1 23 GLU H . . 4.050 3.238 2.407 4.054 0.004 17 0 "[ . 1 . 2]" 1
498 1 22 ASN QD 1 59 TRP HD1 . . 4.070 2.675 1.921 3.785 . 0 0 "[ . 1 . 2]" 1
499 1 22 ASN QD 1 59 TRP HE1 . . 4.510 2.905 1.893 3.864 . 0 0 "[ . 1 . 2]" 1
500 1 22 ASN HD21 1 59 TRP HD1 . . 4.820 2.809 1.975 4.605 . 0 0 "[ . 1 . 2]" 1
501 1 22 ASN HD21 1 59 TRP HE1 . . 5.140 3.313 2.350 4.593 . 0 0 "[ . 1 . 2]" 1
502 1 22 ASN HD22 1 59 TRP HD1 . . 4.820 3.748 2.597 4.822 0.002 4 0 "[ . 1 . 2]" 1
503 1 22 ASN HD22 1 59 TRP HE1 . . 5.140 3.769 1.966 5.124 . 0 0 "[ . 1 . 2]" 1
504 1 23 GLU H 1 23 GLU HB2 . . 3.410 2.437 2.280 2.582 . 0 0 "[ . 1 . 2]" 1
505 1 23 GLU H 1 23 GLU HB3 . . 4.190 3.583 3.543 3.597 . 0 0 "[ . 1 . 2]" 1
506 1 23 GLU H 1 23 GLU HG2 . . 3.950 3.740 3.540 3.985 0.035 12 0 "[ . 1 . 2]" 1
507 1 23 GLU H 1 23 GLU HG3 . . 3.790 2.389 2.045 3.641 . 0 0 "[ . 1 . 2]" 1
508 1 23 GLU H 1 59 TRP H . . 4.580 4.106 3.796 4.407 . 0 0 "[ . 1 . 2]" 1
509 1 23 GLU H 1 59 TRP HB2 . . 5.500 4.215 3.958 4.479 . 0 0 "[ . 1 . 2]" 1
510 1 23 GLU HA 1 23 GLU HG2 . . 3.710 2.790 2.548 3.592 . 0 0 "[ . 1 . 2]" 1
511 1 23 GLU HA 1 23 GLU HG3 . . 3.370 2.707 2.315 2.866 . 0 0 "[ . 1 . 2]" 1
512 1 23 GLU HA 1 24 ILE H . . 3.200 2.320 2.193 2.470 . 0 0 "[ . 1 . 2]" 1
513 1 23 GLU HA 1 24 ILE HG12 . . 4.630 3.918 3.591 4.120 . 0 0 "[ . 1 . 2]" 1
514 1 23 GLU HA 1 24 ILE MG . . 4.010 3.367 3.226 3.691 . 0 0 "[ . 1 . 2]" 1
515 1 23 GLU HA 1 42 MET ME . . 4.890 4.168 3.915 4.425 . 0 0 "[ . 1 . 2]" 1
516 1 23 GLU HA 1 58 GLY HA2 . . 4.230 3.399 3.096 3.647 . 0 0 "[ . 1 . 2]" 1
517 1 23 GLU HA 1 58 GLY HA3 . . 4.210 3.431 3.221 3.644 . 0 0 "[ . 1 . 2]" 1
518 1 23 GLU HA 1 59 TRP H . . 3.170 1.940 1.898 2.150 . 0 0 "[ . 1 . 2]" 1
519 1 23 GLU HA 1 59 TRP HB2 . . 4.270 2.994 2.762 3.085 . 0 0 "[ . 1 . 2]" 1
520 1 23 GLU HA 1 59 TRP HB3 . . 4.560 4.522 4.332 4.569 0.009 10 0 "[ . 1 . 2]" 1
521 1 23 GLU HA 1 59 TRP HD1 . . 4.530 3.721 3.509 3.935 . 0 0 "[ . 1 . 2]" 1
522 1 23 GLU HA 1 60 VAL MG1 . . 4.540 4.265 3.993 4.521 . 0 0 "[ . 1 . 2]" 1
523 1 23 GLU HB2 1 24 ILE H . . 4.140 3.853 3.507 4.128 . 0 0 "[ . 1 . 2]" 1
524 1 23 GLU HB3 1 24 ILE H . . 3.420 2.654 2.279 3.048 . 0 0 "[ . 1 . 2]" 1
525 1 23 GLU HB3 1 42 MET ME . . 5.050 3.578 2.984 3.942 . 0 0 "[ . 1 . 2]" 1
526 1 23 GLU HG2 1 24 ILE H . . 4.340 4.033 3.675 4.348 0.008 12 0 "[ . 1 . 2]" 1
527 1 23 GLU HG2 1 42 MET ME . . 3.200 2.093 1.832 2.347 . 0 0 "[ . 1 . 2]" 1
528 1 23 GLU HG2 1 59 TRP H . . 4.770 3.721 3.447 4.769 . 0 0 "[ . 1 . 2]" 1
529 1 23 GLU HG2 1 59 TRP HB2 . . 4.310 2.561 2.169 3.581 . 0 0 "[ . 1 . 2]" 1
530 1 23 GLU HG2 1 59 TRP HB3 . . 4.270 3.570 3.247 4.272 0.002 12 0 "[ . 1 . 2]" 1
531 1 23 GLU HG2 1 60 VAL HA . . 5.500 3.909 3.517 4.266 . 0 0 "[ . 1 . 2]" 1
532 1 23 GLU HG3 1 42 MET ME . . 3.620 3.120 2.056 3.558 . 0 0 "[ . 1 . 2]" 1
533 1 23 GLU HG3 1 59 TRP H . . 4.520 3.705 3.068 3.926 . 0 0 "[ . 1 . 2]" 1
534 1 23 GLU HG3 1 59 TRP HB2 . . 4.080 2.616 1.999 2.801 . 0 0 "[ . 1 . 2]" 1
535 1 23 GLU HG3 1 59 TRP HB3 . . 4.270 4.085 2.991 4.271 0.001 13 0 "[ . 1 . 2]" 1
536 1 24 ILE H 1 24 ILE MD . . 4.170 3.929 3.610 4.078 . 0 0 "[ . 1 . 2]" 1
537 1 24 ILE H 1 24 ILE HG12 . . 3.430 2.317 1.902 2.545 . 0 0 "[ . 1 . 2]" 1
538 1 24 ILE H 1 24 ILE HG13 . . 3.740 3.038 2.929 3.141 . 0 0 "[ . 1 . 2]" 1
539 1 24 ILE H 1 24 ILE MG . . 3.750 2.799 2.590 3.043 . 0 0 "[ . 1 . 2]" 1
540 1 24 ILE H 1 25 CYS H . . 5.130 4.462 4.405 4.506 . 0 0 "[ . 1 . 2]" 1
541 1 24 ILE H 1 58 GLY HA3 . . 4.710 3.072 2.680 3.506 . 0 0 "[ . 1 . 2]" 1
542 1 24 ILE H 1 59 TRP H . . 4.310 3.409 3.134 3.727 . 0 0 "[ . 1 . 2]" 1
543 1 24 ILE H 1 60 VAL MG1 . . 3.750 3.274 3.127 3.451 . 0 0 "[ . 1 . 2]" 1
544 1 24 ILE HB 1 24 ILE MD . . 3.170 2.385 2.325 2.603 . 0 0 "[ . 1 . 2]" 1
545 1 24 ILE HB 1 25 CYS H . . 3.180 2.587 2.317 2.758 . 0 0 "[ . 1 . 2]" 1
546 1 24 ILE HB 1 26 VAL MG1 . . 4.550 4.105 3.656 4.428 . 0 0 "[ . 1 . 2]" 1
547 1 24 ILE HB 1 56 ALA MB . . 4.710 4.425 4.188 4.650 . 0 0 "[ . 1 . 2]" 1
548 1 24 ILE HB 1 58 GLY HA2 . . 5.500 5.490 5.449 5.516 0.016 10 0 "[ . 1 . 2]" 1
549 1 24 ILE HB 1 58 GLY HA3 . . 4.400 3.970 3.911 4.066 . 0 0 "[ . 1 . 2]" 1
550 1 24 ILE HB 1 60 VAL MG1 . . 5.220 5.110 4.964 5.220 . 0 0 "[ . 1 . 2]" 1
551 1 24 ILE MD 1 24 ILE MG . . 2.630 1.956 1.835 2.045 . 0 0 "[ . 1 . 2]" 1
552 1 24 ILE MD 1 25 CYS H . . 4.570 4.329 3.894 4.568 . 0 0 "[ . 1 . 2]" 1
553 1 24 ILE MD 1 26 VAL MG1 . . 3.190 2.768 2.566 3.130 . 0 0 "[ . 1 . 2]" 1
554 1 24 ILE MD 1 45 VAL MG2 . . 3.100 2.881 2.515 3.097 . 0 0 "[ . 1 . 2]" 1
555 1 24 ILE MD 1 47 GLN H . . 4.560 3.080 2.930 3.306 . 0 0 "[ . 1 . 2]" 1
556 1 24 ILE MD 1 47 GLN HB2 . . 3.940 2.052 1.915 2.300 . 0 0 "[ . 1 . 2]" 1
557 1 24 ILE MD 1 47 GLN HB3 . . 3.710 2.056 1.875 2.257 . 0 0 "[ . 1 . 2]" 1
558 1 24 ILE MD 1 47 GLN HG2 . . 4.960 3.428 3.208 3.642 . 0 0 "[ . 1 . 2]" 1
559 1 24 ILE MD 1 47 GLN HG3 . . 5.480 3.731 3.451 4.061 . 0 0 "[ . 1 . 2]" 1
560 1 24 ILE MD 1 56 ALA MB . . 3.540 3.418 3.241 3.543 0.003 10 0 "[ . 1 . 2]" 1
561 1 24 ILE MD 1 57 GLU H . . 5.080 4.973 4.590 5.080 0.000 3 0 "[ . 1 . 2]" 1
562 1 24 ILE MD 1 57 GLU HA . . 3.940 3.742 3.315 3.916 . 0 0 "[ . 1 . 2]" 1
563 1 24 ILE MD 1 58 GLY H . . 3.830 2.711 2.071 3.143 . 0 0 "[ . 1 . 2]" 1
564 1 24 ILE MD 1 58 GLY HA2 . . 4.840 3.978 3.225 4.259 . 0 0 "[ . 1 . 2]" 1
565 1 24 ILE MD 1 58 GLY HA3 . . 4.340 2.636 1.926 2.949 . 0 0 "[ . 1 . 2]" 1
566 1 24 ILE MD 1 60 VAL MG1 . . 3.960 3.379 3.216 3.551 . 0 0 "[ . 1 . 2]" 1
567 1 24 ILE HG12 1 58 GLY H . . 4.780 3.709 3.479 4.120 . 0 0 "[ . 1 . 2]" 1
568 1 24 ILE HG12 1 58 GLY HA2 . . 4.360 3.706 3.625 3.747 . 0 0 "[ . 1 . 2]" 1
569 1 24 ILE HG12 1 58 GLY HA3 . . 4.170 2.015 1.994 2.072 . 0 0 "[ . 1 . 2]" 1
570 1 24 ILE HG12 1 59 TRP H . . 4.860 3.932 3.566 4.259 . 0 0 "[ . 1 . 2]" 1
571 1 24 ILE HG12 1 59 TRP HA . . 5.280 5.099 4.849 5.281 0.001 13 0 "[ . 1 . 2]" 1
572 1 24 ILE HG12 1 60 VAL MG1 . . 3.550 3.026 2.931 3.144 . 0 0 "[ . 1 . 2]" 1
573 1 24 ILE HG13 1 24 ILE MG . . 3.630 3.192 3.184 3.197 . 0 0 "[ . 1 . 2]" 1
574 1 24 ILE HG13 1 25 CYS H . . 4.210 3.716 3.371 3.949 . 0 0 "[ . 1 . 2]" 1
575 1 24 ILE HG13 1 26 VAL MG1 . . 3.420 2.452 2.284 2.631 . 0 0 "[ . 1 . 2]" 1
576 1 24 ILE HG13 1 58 GLY HA3 . . 5.020 3.685 3.513 3.735 . 0 0 "[ . 1 . 2]" 1
577 1 24 ILE HG13 1 60 VAL MG1 . . 3.430 3.155 2.969 3.281 . 0 0 "[ . 1 . 2]" 1
578 1 24 ILE MG 1 25 CYS H . . 3.850 3.789 3.529 3.848 . 0 0 "[ . 1 . 2]" 1
579 1 24 ILE MG 1 47 GLN H . . 5.090 4.595 4.401 4.840 . 0 0 "[ . 1 . 2]" 1
580 1 24 ILE MG 1 47 GLN HB3 . . 4.630 3.802 3.615 4.060 . 0 0 "[ . 1 . 2]" 1
581 1 24 ILE MG 1 56 ALA HA . . 5.360 5.157 4.945 5.342 . 0 0 "[ . 1 . 2]" 1
582 1 24 ILE MG 1 56 ALA MB . . 3.260 2.958 2.786 3.216 . 0 0 "[ . 1 . 2]" 1
583 1 24 ILE MG 1 57 GLU H . . 4.680 4.418 4.307 4.620 . 0 0 "[ . 1 . 2]" 1
584 1 24 ILE MG 1 57 GLU HA . . 4.310 4.182 4.003 4.325 0.015 10 0 "[ . 1 . 2]" 1
585 1 24 ILE MG 1 58 GLY H . . 4.070 3.283 3.054 3.771 . 0 0 "[ . 1 . 2]" 1
586 1 24 ILE MG 1 58 GLY HA2 . . 3.610 2.699 2.652 2.759 . 0 0 "[ . 1 . 2]" 1
587 1 24 ILE MG 1 58 GLY HA3 . . 3.230 1.841 1.818 1.956 . 0 0 "[ . 1 . 2]" 1
588 1 24 ILE MG 1 59 TRP H . . 4.380 3.712 3.480 3.877 . 0 0 "[ . 1 . 2]" 1
589 1 24 ILE MG 1 60 VAL MG1 . . 4.560 4.450 4.376 4.578 0.018 10 0 "[ . 1 . 2]" 1
590 1 25 CYS H 1 25 CYS HB2 . . 3.820 2.932 2.185 3.642 . 0 0 "[ . 1 . 2]" 1
591 1 25 CYS H 1 25 CYS QB . . 3.170 2.479 2.164 2.723 . 0 0 "[ . 1 . 2]" 1
592 1 25 CYS H 1 25 CYS HB3 . . 3.820 3.094 2.559 3.634 . 0 0 "[ . 1 . 2]" 1
593 1 25 CYS HA 1 26 VAL H . . 2.900 2.197 2.147 2.312 . 0 0 "[ . 1 . 2]" 1
594 1 25 CYS HA 1 26 VAL MG1 . . 4.760 3.707 3.396 3.924 . 0 0 "[ . 1 . 2]" 1
595 1 25 CYS HA 1 26 VAL MG2 . . 4.340 3.660 3.411 3.842 . 0 0 "[ . 1 . 2]" 1
596 1 25 CYS HA 1 60 VAL MG1 . . 5.190 4.992 4.595 5.181 . 0 0 "[ . 1 . 2]" 1
597 1 25 CYS QB 1 26 VAL H . . 3.430 3.098 2.897 3.424 . 0 0 "[ . 1 . 2]" 1
598 1 25 CYS QB 1 26 VAL MG1 . . 5.340 4.490 4.166 4.819 . 0 0 "[ . 1 . 2]" 1
599 1 25 CYS HB2 1 26 VAL H . . 4.300 3.713 2.977 4.302 0.002 7 0 "[ . 1 . 2]" 1
600 1 25 CYS HB3 1 26 VAL H . . 4.300 3.616 2.974 4.258 . 0 0 "[ . 1 . 2]" 1
601 1 26 VAL H 1 26 VAL MG1 . . 3.820 3.038 2.914 3.169 . 0 0 "[ . 1 . 2]" 1
602 1 26 VAL H 1 26 VAL MG2 . . 3.330 2.158 1.880 2.418 . 0 0 "[ . 1 . 2]" 1
603 1 26 VAL H 1 27 SER H . . 4.800 4.441 4.366 4.492 . 0 0 "[ . 1 . 2]" 1
604 1 26 VAL H 1 64 ILE MD . . 5.500 4.681 4.319 5.027 . 0 0 "[ . 1 . 2]" 1
605 1 26 VAL HB 1 27 SER H . . 3.280 2.439 2.166 2.693 . 0 0 "[ . 1 . 2]" 1
606 1 26 VAL HB 1 60 VAL MG1 . . 4.670 4.546 4.351 4.672 0.002 1 0 "[ . 1 . 2]" 1
607 1 26 VAL HB 1 64 ILE MD . . 4.620 4.033 3.668 4.391 . 0 0 "[ . 1 . 2]" 1
608 1 26 VAL MG1 1 27 SER H . . 3.900 3.661 3.443 3.895 . 0 0 "[ . 1 . 2]" 1
609 1 26 VAL MG1 1 30 GLU QG . . 4.490 4.241 3.649 4.494 0.004 15 0 "[ . 1 . 2]" 1
610 1 26 VAL MG1 1 47 GLN HB2 . . 4.480 3.670 3.520 3.956 . 0 0 "[ . 1 . 2]" 1
611 1 26 VAL MG1 1 47 GLN HE21 . . 4.160 3.248 2.226 4.143 . 0 0 "[ . 1 . 2]" 1
612 1 26 VAL MG1 1 47 GLN QE . . 3.620 2.521 1.772 3.249 . 0 0 "[ . 1 . 2]" 1
613 1 26 VAL MG1 1 47 GLN HE22 . . 4.160 2.644 1.860 3.399 . 0 0 "[ . 1 . 2]" 1
614 1 26 VAL MG1 1 60 VAL HB . . 4.890 4.045 3.629 4.387 . 0 0 "[ . 1 . 2]" 1
615 1 26 VAL MG1 1 60 VAL MG1 . . 3.260 2.416 2.155 2.697 . 0 0 "[ . 1 . 2]" 1
616 1 26 VAL MG2 1 27 SER H . . 4.220 3.480 3.065 3.655 . 0 0 "[ . 1 . 2]" 1
617 1 26 VAL MG2 1 28 GLN HA . . 5.300 5.013 4.626 5.221 . 0 0 "[ . 1 . 2]" 1
618 1 26 VAL MG2 1 30 GLU QG . . 5.390 5.039 4.718 5.363 . 0 0 "[ . 1 . 2]" 1
619 1 26 VAL MG2 1 60 VAL HB . . 4.270 3.486 3.242 3.786 . 0 0 "[ . 1 . 2]" 1
620 1 26 VAL MG2 1 64 ILE HB . . 4.800 4.389 4.105 4.704 . 0 0 "[ . 1 . 2]" 1
621 1 26 VAL MG2 1 64 ILE MD . . 2.710 2.044 1.838 2.279 . 0 0 "[ . 1 . 2]" 1
622 1 26 VAL MG2 1 64 ILE HG12 . . 4.770 4.388 4.108 4.640 . 0 0 "[ . 1 . 2]" 1
623 1 27 SER H 1 27 SER HB2 . . 3.780 3.038 2.476 3.804 0.024 4 0 "[ . 1 . 2]" 1
624 1 27 SER H 1 27 SER QB . . 3.120 2.686 2.439 3.122 0.002 8 0 "[ . 1 . 2]" 1
625 1 27 SER H 1 27 SER HB3 . . 3.780 3.321 2.717 3.781 0.001 11 0 "[ . 1 . 2]" 1
626 1 27 SER H 1 30 GLU HB2 . . 4.570 2.894 2.595 3.240 . 0 0 "[ . 1 . 2]" 1
627 1 27 SER H 1 30 GLU QG . . 3.970 2.594 2.316 2.942 . 0 0 "[ . 1 . 2]" 1
628 1 27 SER HA 1 28 GLN H . . 2.900 2.249 2.175 2.397 . 0 0 "[ . 1 . 2]" 1
629 1 27 SER HA 1 28 GLN HA . . 4.730 4.308 4.293 4.326 . 0 0 "[ . 1 . 2]" 1
630 1 27 SER HA 1 28 GLN HB3 . . 4.770 4.611 4.519 4.716 . 0 0 "[ . 1 . 2]" 1
631 1 27 SER QB 1 28 GLN H . . 3.380 3.028 2.826 3.302 . 0 0 "[ . 1 . 2]" 1
632 1 27 SER QB 1 28 GLN HB3 . . 4.670 4.453 4.198 4.675 0.005 1 0 "[ . 1 . 2]" 1
633 1 27 SER QB 1 30 GLU HB2 . . 4.520 4.408 3.993 4.529 0.009 15 0 "[ . 1 . 2]" 1
634 1 27 SER QB 1 30 GLU QG . . 3.530 3.089 2.532 3.492 . 0 0 "[ . 1 . 2]" 1
635 1 27 SER HB2 1 28 GLN H . . 4.200 3.783 2.894 4.200 . 19 0 "[ . 1 . 2]" 1
636 1 27 SER HB2 1 30 GLU QG . . 4.250 3.537 2.565 4.199 . 0 0 "[ . 1 . 2]" 1
637 1 27 SER HB3 1 28 GLN H . . 4.200 3.446 2.881 4.202 0.002 15 0 "[ . 1 . 2]" 1
638 1 27 SER HB3 1 30 GLU QG . . 4.250 3.762 3.149 4.239 . 0 0 "[ . 1 . 2]" 1
639 1 28 GLN H 1 28 GLN HB2 . . 3.250 2.668 2.485 2.848 . 0 0 "[ . 1 . 2]" 1
640 1 28 GLN H 1 28 GLN HB3 . . 3.340 2.401 2.242 2.586 . 0 0 "[ . 1 . 2]" 1
641 1 28 GLN H 1 28 GLN HG2 . . 5.280 4.383 4.190 4.494 . 0 0 "[ . 1 . 2]" 1
642 1 28 GLN H 1 28 GLN QG . . 4.530 3.970 3.867 4.057 . 0 0 "[ . 1 . 2]" 1
643 1 28 GLN H 1 28 GLN HG3 . . 5.280 4.542 4.425 4.628 . 0 0 "[ . 1 . 2]" 1
644 1 28 GLN H 1 29 GLY H . . 4.560 4.469 4.364 4.563 0.003 12 0 "[ . 1 . 2]" 1
645 1 28 GLN HA 1 28 GLN QG . . 3.490 2.601 2.467 2.694 . 0 0 "[ . 1 . 2]" 1
646 1 28 GLN HA 1 29 GLY H . . 2.760 2.152 2.143 2.164 . 0 0 "[ . 1 . 2]" 1
647 1 28 GLN HA 1 29 GLY HA3 . . 4.570 4.396 4.391 4.403 . 0 0 "[ . 1 . 2]" 1
648 1 28 GLN HA 1 30 GLU H . . 4.000 3.864 3.681 4.001 0.001 13 0 "[ . 1 . 2]" 1
649 1 28 GLN HB2 1 29 GLY H . . 4.480 4.208 4.063 4.378 . 0 0 "[ . 1 . 2]" 1
650 1 28 GLN HB3 1 29 GLY H . . 4.610 4.397 4.262 4.519 . 0 0 "[ . 1 . 2]" 1
651 1 28 GLN QG 1 29 GLY H . . 3.950 3.002 2.567 3.254 . 0 0 "[ . 1 . 2]" 1
652 1 28 GLN HG2 1 29 GLY H . . 4.750 3.368 2.587 3.963 . 0 0 "[ . 1 . 2]" 1
653 1 28 GLN HG2 1 29 GLY HA2 . . 5.500 3.861 3.484 4.199 . 0 0 "[ . 1 . 2]" 1
654 1 28 GLN HG2 1 29 GLY HA3 . . 5.500 3.920 3.522 4.520 . 0 0 "[ . 1 . 2]" 1
655 1 28 GLN HG3 1 29 GLY H . . 4.750 3.665 3.109 4.591 . 0 0 "[ . 1 . 2]" 1
656 1 28 GLN HG3 1 29 GLY HA2 . . 5.500 4.610 4.119 5.517 0.017 15 0 "[ . 1 . 2]" 1
657 1 28 GLN HG3 1 29 GLY HA3 . . 5.500 4.975 4.534 5.500 0.000 12 0 "[ . 1 . 2]" 1
658 1 29 GLY H 1 30 GLU H . . 3.450 2.724 2.407 2.984 . 0 0 "[ . 1 . 2]" 1
659 1 29 GLY HA2 1 31 VAL MG2 . . 5.500 4.627 4.420 4.753 . 0 0 "[ . 1 . 2]" 1
660 1 29 GLY HA3 1 31 VAL MG2 . . 5.500 5.191 5.013 5.344 . 0 0 "[ . 1 . 2]" 1
661 1 30 GLU H 1 30 GLU HB2 . . 3.020 2.302 2.207 2.397 . 0 0 "[ . 1 . 2]" 1
662 1 30 GLU H 1 30 GLU HB3 . . 3.700 3.550 3.507 3.580 . 0 0 "[ . 1 . 2]" 1
663 1 30 GLU H 1 30 GLU QG . . 3.360 2.604 2.386 2.778 . 0 0 "[ . 1 . 2]" 1
664 1 30 GLU H 1 31 VAL H . . 4.770 4.637 4.610 4.649 . 0 0 "[ . 1 . 2]" 1
665 1 30 GLU HA 1 30 GLU QG . . 3.220 2.528 2.126 2.981 . 0 0 "[ . 1 . 2]" 1
666 1 30 GLU HA 1 31 VAL H . . 2.780 2.390 2.272 2.541 . 0 0 "[ . 1 . 2]" 1
667 1 30 GLU HA 1 31 VAL HA . . 4.640 4.455 4.405 4.514 . 0 0 "[ . 1 . 2]" 1
668 1 30 GLU HA 1 31 VAL HB . . 4.760 4.598 4.527 4.693 . 0 0 "[ . 1 . 2]" 1
669 1 30 GLU HA 1 31 VAL MG1 . . 5.500 5.431 5.400 5.444 . 0 0 "[ . 1 . 2]" 1
670 1 30 GLU HA 1 31 VAL MG2 . . 3.860 3.318 3.103 3.491 . 0 0 "[ . 1 . 2]" 1
671 1 30 GLU HA 1 32 VAL MG1 . . 5.500 5.223 4.974 5.442 . 0 0 "[ . 1 . 2]" 1
672 1 30 GLU HB2 1 31 VAL H . . 4.030 3.854 3.577 4.033 0.003 7 0 "[ . 1 . 2]" 1
673 1 30 GLU HB3 1 31 VAL H . . 3.560 2.510 2.179 2.798 . 0 0 "[ . 1 . 2]" 1
674 1 30 GLU QG 1 31 VAL H . . 4.040 3.873 3.383 4.040 0.000 5 0 "[ . 1 . 2]" 1
675 1 30 GLU QG 1 32 VAL MG1 . . 4.910 4.711 4.451 4.915 0.005 15 0 "[ . 1 . 2]" 1
676 1 31 VAL H 1 31 VAL HB . . 3.210 2.764 2.660 2.883 . 0 0 "[ . 1 . 2]" 1
677 1 31 VAL H 1 31 VAL MG1 . . 4.450 3.899 3.855 3.951 . 0 0 "[ . 1 . 2]" 1
678 1 31 VAL H 1 31 VAL MG2 . . 3.310 2.832 2.545 2.998 . 0 0 "[ . 1 . 2]" 1
679 1 31 VAL H 1 32 VAL H . . 4.800 4.235 3.991 4.407 . 0 0 "[ . 1 . 2]" 1
680 1 31 VAL H 1 32 VAL MG1 . . 4.720 3.744 3.539 3.935 . 0 0 "[ . 1 . 2]" 1
681 1 31 VAL HA 1 31 VAL MG1 . . 3.270 2.355 2.265 2.439 . 0 0 "[ . 1 . 2]" 1
682 1 31 VAL HA 1 31 VAL MG2 . . 3.140 2.392 2.298 2.488 . 0 0 "[ . 1 . 2]" 1
683 1 31 VAL HA 1 32 VAL H . . 3.000 2.159 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
684 1 31 VAL HA 1 32 VAL MG2 . . 4.050 3.708 3.572 3.873 . 0 0 "[ . 1 . 2]" 1
685 1 31 VAL HB 1 32 VAL H . . 4.400 4.188 3.967 4.357 . 0 0 "[ . 1 . 2]" 1
686 1 31 VAL MG1 1 32 VAL H . . 3.560 2.637 2.208 3.093 . 0 0 "[ . 1 . 2]" 1
687 1 31 VAL MG1 1 68 PHE H . . 5.500 5.414 5.287 5.501 0.001 3 0 "[ . 1 . 2]" 1
688 1 31 VAL MG1 1 68 PHE HB2 . . 4.700 3.761 3.618 3.965 . 0 0 "[ . 1 . 2]" 1
689 1 31 VAL MG1 1 68 PHE HB3 . . 4.810 4.022 3.791 4.227 . 0 0 "[ . 1 . 2]" 1
690 1 31 VAL MG1 1 68 PHE QD . . 4.180 3.460 3.024 3.644 . 0 0 "[ . 1 . 2]" 1
691 1 31 VAL MG1 1 68 PHE QE . . 4.200 4.005 3.714 4.190 . 0 0 "[ . 1 . 2]" 1
692 1 31 VAL MG2 1 68 PHE HB2 . . 5.040 4.291 3.864 4.481 . 0 0 "[ . 1 . 2]" 1
693 1 31 VAL MG2 1 68 PHE QD . . 4.160 4.052 3.826 4.162 0.002 5 0 "[ . 1 . 2]" 1
694 1 31 VAL MG2 1 68 PHE QE . . 4.220 3.984 3.684 4.215 . 0 0 "[ . 1 . 2]" 1
695 1 31 VAL MG2 1 68 PHE HZ . . 4.740 4.470 4.172 4.734 . 0 0 "[ . 1 . 2]" 1
696 1 32 VAL H 1 32 VAL MG1 . . 3.820 2.921 2.725 3.181 . 0 0 "[ . 1 . 2]" 1
697 1 32 VAL H 1 32 VAL MG2 . . 3.090 2.066 1.905 2.276 . 0 0 "[ . 1 . 2]" 1
698 1 32 VAL HA 1 32 VAL MG1 . . 3.080 2.328 2.172 2.452 . 0 0 "[ . 1 . 2]" 1
699 1 32 VAL HA 1 33 GLN H . . 3.090 2.601 2.494 2.650 . 0 0 "[ . 1 . 2]" 1
700 1 32 VAL HA 1 45 VAL HB . . 4.460 4.404 4.302 4.468 0.008 11 0 "[ . 1 . 2]" 1
701 1 32 VAL HA 1 46 TYR QD . . 5.020 4.815 4.563 5.021 0.001 3 0 "[ . 1 . 2]" 1
702 1 32 VAL HA 1 47 GLN HG3 . . 5.500 5.485 5.261 5.508 0.008 19 0 "[ . 1 . 2]" 1
703 1 32 VAL HA 1 48 PRO HD3 . . 4.000 3.176 2.881 3.382 . 0 0 "[ . 1 . 2]" 1
704 1 32 VAL HA 1 48 PRO HG3 . . 4.670 4.238 4.051 4.423 . 0 0 "[ . 1 . 2]" 1
705 1 32 VAL HB 1 33 GLN H . . 3.050 2.006 1.899 2.177 . 0 0 "[ . 1 . 2]" 1
706 1 32 VAL HB 1 45 VAL HA . . 4.040 4.006 3.900 4.045 0.005 12 0 "[ . 1 . 2]" 1
707 1 32 VAL HB 1 45 VAL HB . . 3.180 2.009 1.997 2.095 . 0 0 "[ . 1 . 2]" 1
708 1 32 VAL HB 1 45 VAL MG1 . . 3.600 3.498 3.306 3.588 . 0 0 "[ . 1 . 2]" 1
709 1 32 VAL HB 1 45 VAL MG2 . . 3.540 3.029 2.702 3.303 . 0 0 "[ . 1 . 2]" 1
710 1 32 VAL HB 1 46 TYR H . . 3.800 3.238 2.962 3.418 . 0 0 "[ . 1 . 2]" 1
711 1 32 VAL HB 1 46 TYR HA . . 5.100 4.741 4.507 4.884 . 0 0 "[ . 1 . 2]" 1
712 1 32 VAL MG1 1 33 GLN H . . 3.940 3.530 3.439 3.661 . 0 0 "[ . 1 . 2]" 1
713 1 32 VAL MG1 1 45 VAL HA . . 5.490 5.091 4.979 5.163 . 0 0 "[ . 1 . 2]" 1
714 1 32 VAL MG1 1 47 GLN H . . 5.300 3.944 3.714 4.285 . 0 0 "[ . 1 . 2]" 1
715 1 32 VAL MG1 1 47 GLN HB2 . . 3.810 2.474 2.112 2.820 . 0 0 "[ . 1 . 2]" 1
716 1 32 VAL MG1 1 47 GLN QE . . 5.090 3.440 2.649 4.668 . 0 0 "[ . 1 . 2]" 1
717 1 32 VAL MG1 1 47 GLN HG3 . . 3.950 3.463 3.282 3.731 . 0 0 "[ . 1 . 2]" 1
718 1 32 VAL MG1 1 48 PRO HD2 . . 4.220 2.889 2.634 3.154 . 0 0 "[ . 1 . 2]" 1
719 1 32 VAL MG1 1 48 PRO HD3 . . 4.180 3.585 3.314 3.919 . 0 0 "[ . 1 . 2]" 1
720 1 32 VAL MG2 1 33 GLN H . . 4.100 3.034 2.761 3.408 . 0 0 "[ . 1 . 2]" 1
721 1 32 VAL MG2 1 33 GLN HA . . 4.350 3.738 3.424 4.064 . 0 0 "[ . 1 . 2]" 1
722 1 32 VAL MG2 1 34 VAL HA . . 4.940 4.257 4.011 4.518 . 0 0 "[ . 1 . 2]" 1
723 1 32 VAL MG2 1 34 VAL MG2 . . 3.620 3.440 3.230 3.624 0.004 13 0 "[ . 1 . 2]" 1
724 1 32 VAL MG2 1 45 VAL HA . . 4.510 3.874 3.615 4.111 . 0 0 "[ . 1 . 2]" 1
725 1 32 VAL MG2 1 45 VAL HB . . 3.450 1.960 1.907 2.036 . 0 0 "[ . 1 . 2]" 1
726 1 32 VAL MG2 1 45 VAL MG1 . . 2.970 2.041 1.861 2.228 . 0 0 "[ . 1 . 2]" 1
727 1 32 VAL MG2 1 46 TYR H . . 4.660 4.134 3.885 4.424 . 0 0 "[ . 1 . 2]" 1
728 1 33 GLN H 1 33 GLN QB . . 3.280 2.496 2.419 2.583 . 0 0 "[ . 1 . 2]" 1
729 1 33 GLN H 1 33 GLN HG2 . . 4.840 4.580 3.602 4.741 . 0 0 "[ . 1 . 2]" 1
730 1 33 GLN H 1 33 GLN QG . . 4.040 3.639 3.402 3.913 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLN H 1 33 GLN HG3 . . 4.840 3.860 3.509 4.466 . 0 0 "[ . 1 . 2]" 1
732 1 33 GLN H 1 34 VAL H . . 4.870 4.209 4.101 4.348 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLN H 1 45 VAL HA . . 4.680 3.824 3.671 4.041 . 0 0 "[ . 1 . 2]" 1
734 1 33 GLN H 1 45 VAL HB . . 4.190 2.977 2.776 3.228 . 0 0 "[ . 1 . 2]" 1
735 1 33 GLN H 1 45 VAL MG1 . . 4.500 3.976 3.624 4.352 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLN H 1 46 TYR H . . 3.710 2.516 2.311 2.643 . 0 0 "[ . 1 . 2]" 1
737 1 33 GLN H 1 46 TYR HB2 . . 4.890 4.780 4.621 4.873 . 0 0 "[ . 1 . 2]" 1
738 1 33 GLN H 1 46 TYR HB3 . . 4.340 3.470 3.266 3.592 . 0 0 "[ . 1 . 2]" 1
739 1 33 GLN H 1 46 TYR QD . . 4.570 4.407 4.165 4.572 0.002 19 0 "[ . 1 . 2]" 1
740 1 33 GLN H 1 48 PRO HD2 . . 5.320 5.111 4.913 5.292 . 0 0 "[ . 1 . 2]" 1
741 1 33 GLN H 1 48 PRO HD3 . . 4.580 4.265 4.036 4.438 . 0 0 "[ . 1 . 2]" 1
742 1 33 GLN HA 1 33 GLN HG2 . . 3.990 2.990 2.416 3.532 . 0 0 "[ . 1 . 2]" 1
743 1 33 GLN HA 1 33 GLN QG . . 3.480 2.271 2.183 2.571 . 0 0 "[ . 1 . 2]" 1
744 1 33 GLN HA 1 33 GLN HG3 . . 3.990 2.470 2.205 3.632 . 0 0 "[ . 1 . 2]" 1
745 1 33 GLN HA 1 34 VAL H . . 2.910 2.141 2.139 2.155 . 0 0 "[ . 1 . 2]" 1
746 1 33 GLN HA 1 34 VAL HA . . 4.720 4.386 4.359 4.408 . 0 0 "[ . 1 . 2]" 1
747 1 33 GLN HA 1 34 VAL HB . . 4.840 4.619 4.588 4.673 . 0 0 "[ . 1 . 2]" 1
748 1 33 GLN HA 1 34 VAL MG2 . . 4.070 3.666 3.560 3.857 . 0 0 "[ . 1 . 2]" 1
749 1 33 GLN HA 1 45 VAL MG1 . . 4.680 4.323 3.978 4.676 . 0 0 "[ . 1 . 2]" 1
750 1 33 GLN QB 1 34 VAL H . . 4.020 3.403 3.256 3.518 . 0 0 "[ . 1 . 2]" 1
751 1 33 GLN QB 1 35 LEU MD2 . . 3.620 3.100 2.917 3.313 . 0 0 "[ . 1 . 2]" 1
752 1 33 GLN QB 1 46 TYR H . . 4.170 3.276 3.197 3.384 . 0 0 "[ . 1 . 2]" 1
753 1 33 GLN QB 1 46 TYR HA . . 5.500 5.244 5.166 5.340 . 0 0 "[ . 1 . 2]" 1
754 1 33 GLN QB 1 46 TYR HB2 . . 4.160 4.141 4.032 4.165 0.005 19 0 "[ . 1 . 2]" 1
755 1 33 GLN QB 1 46 TYR HB3 . . 3.250 2.791 2.692 2.879 . 0 0 "[ . 1 . 2]" 1
756 1 33 GLN QB 1 46 TYR QD . . 4.240 3.981 3.648 4.159 . 0 0 "[ . 1 . 2]" 1
757 1 33 GLN QB 1 48 PRO HD3 . . 5.020 4.737 4.575 4.896 . 0 0 "[ . 1 . 2]" 1
758 1 33 GLN QG 1 34 VAL H . . 4.490 3.904 3.808 4.300 . 0 0 "[ . 1 . 2]" 1
759 1 33 GLN QG 1 35 LEU MD2 . . 4.810 4.731 4.558 4.811 0.001 11 0 "[ . 1 . 2]" 1
760 1 33 GLN HG2 1 34 VAL H . . 5.130 4.559 4.039 5.124 . 0 0 "[ . 1 . 2]" 1
761 1 33 GLN HG3 1 34 VAL H . . 5.130 4.410 3.937 5.145 0.015 13 0 "[ . 1 . 2]" 1
762 1 34 VAL H 1 34 VAL HB . . 3.100 2.526 2.501 2.571 . 0 0 "[ . 1 . 2]" 1
763 1 34 VAL H 1 34 VAL MG1 . . 3.820 3.764 3.760 3.769 . 0 0 "[ . 1 . 2]" 1
764 1 34 VAL H 1 34 VAL MG2 . . 3.240 2.109 1.974 2.300 . 0 0 "[ . 1 . 2]" 1
765 1 34 VAL H 1 45 VAL MG1 . . 4.290 3.520 3.120 3.900 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL HA 1 34 VAL MG1 . . 3.070 2.364 2.316 2.440 . 0 0 "[ . 1 . 2]" 1
767 1 34 VAL HA 1 34 VAL MG2 . . 3.210 2.402 2.255 2.465 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL HA 1 35 LEU H . . 2.900 2.225 2.201 2.247 . 0 0 "[ . 1 . 2]" 1
769 1 34 VAL HA 1 35 LEU HB2 . . 4.720 4.555 4.493 4.631 . 0 0 "[ . 1 . 2]" 1
770 1 34 VAL HA 1 35 LEU MD1 . . 5.450 5.039 4.884 5.163 . 0 0 "[ . 1 . 2]" 1
771 1 34 VAL HA 1 35 LEU HG . . 4.180 3.713 3.584 3.855 . 0 0 "[ . 1 . 2]" 1
772 1 34 VAL HA 1 36 ALA H . . 4.030 4.002 3.931 4.050 0.020 19 0 "[ . 1 . 2]" 1
773 1 34 VAL HA 1 43 CYS QB . . 4.760 3.836 3.657 4.318 . 0 0 "[ . 1 . 2]" 1
774 1 34 VAL HA 1 45 VAL HA . . 3.290 2.441 2.275 2.580 . 0 0 "[ . 1 . 2]" 1
775 1 34 VAL HA 1 45 VAL HB . . 4.160 3.861 3.583 4.060 . 0 0 "[ . 1 . 2]" 1
776 1 34 VAL HA 1 45 VAL MG1 . . 3.350 2.146 1.975 2.439 . 0 0 "[ . 1 . 2]" 1
777 1 34 VAL HA 1 45 VAL MG2 . . 4.970 4.543 4.384 4.724 . 0 0 "[ . 1 . 2]" 1
778 1 34 VAL HA 1 46 TYR H . . 4.410 4.103 3.907 4.235 . 0 0 "[ . 1 . 2]" 1
779 1 34 VAL HB 1 35 LEU H . . 4.820 3.959 3.914 4.023 . 0 0 "[ . 1 . 2]" 1
780 1 34 VAL HB 1 35 LEU HA . . 5.270 4.757 4.715 4.791 . 0 0 "[ . 1 . 2]" 1
781 1 34 VAL HB 1 43 CYS QB . . 5.320 4.833 4.576 5.053 . 0 0 "[ . 1 . 2]" 1
782 1 34 VAL MG1 1 35 LEU H . . 3.640 2.156 1.916 2.316 . 0 0 "[ . 1 . 2]" 1
783 1 34 VAL MG1 1 36 ALA H . . 3.320 2.615 2.424 2.781 . 0 0 "[ . 1 . 2]" 1
784 1 34 VAL MG1 1 36 ALA HA . . 4.520 3.466 3.415 3.521 . 0 0 "[ . 1 . 2]" 1
785 1 34 VAL MG1 1 36 ALA MB . . 4.440 4.266 4.215 4.333 . 0 0 "[ . 1 . 2]" 1
786 1 34 VAL MG1 1 43 CYS HA . . 3.810 3.713 3.533 3.816 0.006 18 0 "[ . 1 . 2]" 1
787 1 34 VAL MG1 1 43 CYS QB . . 3.180 2.399 1.994 2.651 . 0 0 "[ . 1 . 2]" 1
788 1 34 VAL MG1 1 44 LEU H . . 4.110 3.878 3.594 4.107 . 0 0 "[ . 1 . 2]" 1
789 1 34 VAL MG2 1 35 LEU H . . 4.250 3.881 3.826 3.973 . 0 0 "[ . 1 . 2]" 1
790 1 34 VAL MG2 1 36 ALA H . . 4.940 4.894 4.819 4.944 0.004 5 0 "[ . 1 . 2]" 1
791 1 34 VAL MG2 1 43 CYS QB . . 3.500 2.672 2.420 2.921 . 0 0 "[ . 1 . 2]" 1
792 1 34 VAL MG2 1 45 VAL HA . . 4.210 4.053 3.927 4.178 . 0 0 "[ . 1 . 2]" 1
793 1 34 VAL MG2 1 65 LEU MD1 . . 3.310 2.609 2.343 2.918 . 0 0 "[ . 1 . 2]" 1
794 1 35 LEU H 1 35 LEU HB2 . . 3.630 2.624 2.551 2.681 . 0 0 "[ . 1 . 2]" 1
795 1 35 LEU H 1 35 LEU HB3 . . 3.780 3.762 3.726 3.781 0.001 4 0 "[ . 1 . 2]" 1
796 1 35 LEU H 1 35 LEU MD1 . . 4.210 4.088 3.947 4.206 . 0 0 "[ . 1 . 2]" 1
797 1 35 LEU H 1 35 LEU MD2 . . 4.070 3.695 3.475 3.888 . 0 0 "[ . 1 . 2]" 1
798 1 35 LEU H 1 35 LEU HG . . 3.530 2.945 2.817 3.032 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU H 1 36 ALA H . . 3.140 1.951 1.926 1.983 . 0 0 "[ . 1 . 2]" 1
800 1 35 LEU H 1 36 ALA MB . . 4.650 4.372 4.350 4.405 . 0 0 "[ . 1 . 2]" 1
801 1 35 LEU H 1 44 LEU HB3 . . 4.550 3.259 3.133 3.388 . 0 0 "[ . 1 . 2]" 1
802 1 35 LEU H 1 44 LEU MD2 . . 4.930 4.581 4.068 4.897 . 0 0 "[ . 1 . 2]" 1
803 1 35 LEU H 1 44 LEU HG . . 5.030 4.124 3.420 4.362 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU H 1 45 VAL HA . . 3.580 3.279 3.155 3.390 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU H 1 45 VAL MG1 . . 4.230 3.555 3.407 3.743 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU H 1 46 TYR H . . 5.050 4.943 4.766 5.051 0.001 5 0 "[ . 1 . 2]" 1
807 1 35 LEU HA 1 35 LEU MD1 . . 4.160 3.857 3.786 3.909 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU HA 1 35 LEU MD2 . . 2.930 2.030 1.971 2.113 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU HA 1 35 LEU HG . . 3.920 3.199 3.070 3.317 . 0 0 "[ . 1 . 2]" 1
810 1 35 LEU HB2 1 35 LEU MD1 . . 3.330 2.317 2.175 2.478 . 0 0 "[ . 1 . 2]" 1
811 1 35 LEU HB2 1 36 ALA H . . 4.150 2.645 2.593 2.704 . 0 0 "[ . 1 . 2]" 1
812 1 35 LEU HB2 1 44 LEU HB2 . . 4.860 3.881 3.654 4.046 . 0 0 "[ . 1 . 2]" 1
813 1 35 LEU HB2 1 44 LEU HB3 . . 4.320 2.287 2.002 2.704 . 0 0 "[ . 1 . 2]" 1
814 1 35 LEU HB2 1 44 LEU MD1 . . 4.270 3.987 3.678 4.177 . 0 0 "[ . 1 . 2]" 1
815 1 35 LEU HB2 1 44 LEU MD2 . . 3.820 2.513 2.085 2.883 . 0 0 "[ . 1 . 2]" 1
816 1 35 LEU HB2 1 44 LEU HG . . 3.660 2.392 2.025 2.685 . 0 0 "[ . 1 . 2]" 1
817 1 35 LEU HB3 1 35 LEU MD1 . . 3.040 2.346 2.217 2.502 . 0 0 "[ . 1 . 2]" 1
818 1 35 LEU HB3 1 35 LEU MD2 . . 3.210 2.361 2.280 2.443 . 0 0 "[ . 1 . 2]" 1
819 1 35 LEU HB3 1 36 ALA H . . 4.220 3.725 3.675 3.770 . 0 0 "[ . 1 . 2]" 1
820 1 35 LEU HB3 1 44 LEU HB2 . . 5.500 5.325 5.090 5.501 0.001 5 0 "[ . 1 . 2]" 1
821 1 35 LEU HB3 1 44 LEU HB3 . . 4.290 3.811 3.546 4.205 . 0 0 "[ . 1 . 2]" 1
822 1 35 LEU HB3 1 44 LEU MD2 . . 3.360 2.990 2.518 3.346 . 0 0 "[ . 1 . 2]" 1
823 1 35 LEU HB3 1 44 LEU HG . . 4.120 3.742 3.458 4.060 . 0 0 "[ . 1 . 2]" 1
824 1 35 LEU MD1 1 36 ALA H . . 5.090 4.554 4.425 4.679 . 0 0 "[ . 1 . 2]" 1
825 1 35 LEU MD1 1 36 ALA MB . . 4.770 4.670 4.613 4.722 . 0 0 "[ . 1 . 2]" 1
826 1 35 LEU MD1 1 44 LEU HB2 . . 4.990 4.547 4.355 4.820 . 0 0 "[ . 1 . 2]" 1
827 1 35 LEU MD1 1 44 LEU HB3 . . 4.720 3.684 3.398 3.968 . 0 0 "[ . 1 . 2]" 1
828 1 35 LEU MD1 1 44 LEU MD1 . . 4.120 3.135 2.732 3.506 . 0 0 "[ . 1 . 2]" 1
829 1 35 LEU MD1 1 45 VAL HA . . 4.410 3.910 3.698 4.194 . 0 0 "[ . 1 . 2]" 1
830 1 35 LEU MD1 1 46 TYR H . . 4.260 3.644 3.386 3.900 . 0 0 "[ . 1 . 2]" 1
831 1 35 LEU MD1 1 46 TYR HA . . 4.510 3.668 3.376 3.918 . 0 0 "[ . 1 . 2]" 1
832 1 35 LEU MD1 1 46 TYR HB2 . . 3.340 2.310 2.115 2.473 . 0 0 "[ . 1 . 2]" 1
833 1 35 LEU MD1 1 46 TYR HB3 . . 3.730 3.647 3.449 3.734 0.004 19 0 "[ . 1 . 2]" 1
834 1 35 LEU MD1 1 46 TYR QD . . 3.770 3.207 2.861 3.559 . 0 0 "[ . 1 . 2]" 1
835 1 35 LEU MD1 1 57 GLU HB2 . . 4.750 3.868 3.347 4.179 . 0 0 "[ . 1 . 2]" 1
836 1 35 LEU MD1 1 57 GLU HB3 . . 4.650 4.413 4.132 4.644 . 0 0 "[ . 1 . 2]" 1
837 1 35 LEU MD1 1 57 GLU HG2 . . 4.070 2.989 2.429 3.370 . 0 0 "[ . 1 . 2]" 1
838 1 35 LEU MD1 1 57 GLU HG3 . . 3.710 2.362 1.949 2.656 . 0 0 "[ . 1 . 2]" 1
839 1 35 LEU MD2 1 36 ALA H . . 4.830 4.615 4.528 4.698 . 0 0 "[ . 1 . 2]" 1
840 1 35 LEU MD2 1 45 VAL HA . . 5.010 4.225 3.739 4.608 . 0 0 "[ . 1 . 2]" 1
841 1 35 LEU MD2 1 46 TYR H . . 4.500 3.842 3.500 4.222 . 0 0 "[ . 1 . 2]" 1
842 1 35 LEU MD2 1 46 TYR HA . . 5.380 5.106 4.776 5.382 0.002 18 0 "[ . 1 . 2]" 1
843 1 35 LEU MD2 1 46 TYR HB2 . . 3.820 3.241 2.929 3.620 . 0 0 "[ . 1 . 2]" 1
844 1 35 LEU MD2 1 46 TYR HB3 . . 3.950 3.610 3.310 3.874 . 0 0 "[ . 1 . 2]" 1
845 1 35 LEU MD2 1 46 TYR QD . . 4.710 4.343 4.065 4.695 . 0 0 "[ . 1 . 2]" 1
846 1 35 LEU HG 1 36 ALA H . . 4.600 4.273 4.141 4.394 . 0 0 "[ . 1 . 2]" 1
847 1 35 LEU HG 1 44 LEU HB3 . . 4.940 4.261 3.933 4.711 . 0 0 "[ . 1 . 2]" 1
848 1 35 LEU HG 1 44 LEU MD2 . . 4.390 4.145 3.758 4.389 . 0 0 "[ . 1 . 2]" 1
849 1 35 LEU HG 1 44 LEU HG . . 4.230 3.306 3.018 3.539 . 0 0 "[ . 1 . 2]" 1
850 1 35 LEU HG 1 45 VAL HA . . 4.000 2.972 2.572 3.208 . 0 0 "[ . 1 . 2]" 1
851 1 35 LEU HG 1 46 TYR H . . 4.300 3.226 3.064 3.458 . 0 0 "[ . 1 . 2]" 1
852 1 35 LEU HG 1 46 TYR HB2 . . 4.380 3.472 3.280 3.700 . 0 0 "[ . 1 . 2]" 1
853 1 35 LEU HG 1 46 TYR HB3 . . 4.570 4.167 3.964 4.339 . 0 0 "[ . 1 . 2]" 1
854 1 36 ALA H 1 36 ALA MB . . 3.290 2.878 2.834 2.898 . 0 0 "[ . 1 . 2]" 1
855 1 36 ALA H 1 37 VAL H . . 4.660 4.362 4.359 4.367 . 0 0 "[ . 1 . 2]" 1
856 1 36 ALA H 1 37 VAL MG2 . . 4.830 4.225 4.006 4.490 . 0 0 "[ . 1 . 2]" 1
857 1 36 ALA H 1 43 CYS HA . . 4.780 4.215 4.010 4.584 . 0 0 "[ . 1 . 2]" 1
858 1 36 ALA H 1 44 LEU H . . 3.590 3.026 2.761 3.382 . 0 0 "[ . 1 . 2]" 1
859 1 36 ALA H 1 44 LEU HA . . 5.430 4.646 4.580 4.717 . 0 0 "[ . 1 . 2]" 1
860 1 36 ALA H 1 44 LEU HB2 . . 4.050 3.873 3.692 4.039 . 0 0 "[ . 1 . 2]" 1
861 1 36 ALA H 1 44 LEU HB3 . . 3.520 2.336 2.035 2.484 . 0 0 "[ . 1 . 2]" 1
862 1 36 ALA H 1 44 LEU MD2 . . 4.390 3.927 3.312 4.216 . 0 0 "[ . 1 . 2]" 1
863 1 36 ALA H 1 44 LEU HG . . 4.810 4.225 3.575 4.521 . 0 0 "[ . 1 . 2]" 1
864 1 36 ALA HA 1 37 VAL H . . 2.940 2.597 2.541 2.637 . 0 0 "[ . 1 . 2]" 1
865 1 36 ALA HA 1 37 VAL HB . . 4.870 4.589 4.404 4.731 . 0 0 "[ . 1 . 2]" 1
866 1 36 ALA HA 1 37 VAL MG1 . . 5.500 5.491 5.464 5.520 0.020 7 0 "[ . 1 . 2]" 1
867 1 36 ALA HA 1 37 VAL MG2 . . 4.320 3.473 3.326 3.646 . 0 0 "[ . 1 . 2]" 1
868 1 36 ALA MB 1 37 VAL H . . 3.060 2.074 1.980 2.187 . 0 0 "[ . 1 . 2]" 1
869 1 36 ALA MB 1 37 VAL HA . . 4.490 3.983 3.941 4.078 . 0 0 "[ . 1 . 2]" 1
870 1 36 ALA MB 1 37 VAL HB . . 4.680 4.413 4.303 4.527 . 0 0 "[ . 1 . 2]" 1
871 1 36 ALA MB 1 44 LEU H . . 4.080 3.878 3.738 4.082 0.002 11 0 "[ . 1 . 2]" 1
872 1 36 ALA MB 1 44 LEU HA . . 5.450 5.418 5.339 5.457 0.007 18 0 "[ . 1 . 2]" 1
873 1 36 ALA MB 1 44 LEU HB2 . . 3.680 3.593 3.443 3.671 . 0 0 "[ . 1 . 2]" 1
874 1 36 ALA MB 1 44 LEU HB3 . . 3.180 2.998 2.846 3.103 . 0 0 "[ . 1 . 2]" 1
875 1 36 ALA MB 1 44 LEU MD1 . . 5.040 4.842 4.694 4.961 . 0 0 "[ . 1 . 2]" 1
876 1 36 ALA MB 1 44 LEU MD2 . . 3.250 3.022 2.618 3.251 0.001 7 0 "[ . 1 . 2]" 1
877 1 36 ALA MB 1 59 TRP HH2 . . 3.660 3.051 2.806 3.192 . 0 0 "[ . 1 . 2]" 1
878 1 36 ALA MB 1 59 TRP HZ2 . . 4.410 4.355 4.148 4.411 0.001 3 0 "[ . 1 . 2]" 1
879 1 36 ALA MB 1 59 TRP HZ3 . . 4.340 3.971 3.755 4.339 . 0 0 "[ . 1 . 2]" 1
880 1 37 VAL H 1 37 VAL HB . . 3.600 2.655 2.556 2.740 . 0 0 "[ . 1 . 2]" 1
881 1 37 VAL H 1 37 VAL MG1 . . 3.840 3.828 3.768 3.876 0.036 9 0 "[ . 1 . 2]" 1
882 1 37 VAL H 1 37 VAL MG2 . . 3.560 2.991 2.813 3.165 . 0 0 "[ . 1 . 2]" 1
883 1 37 VAL H 1 38 ASN H . . 5.040 4.421 4.326 4.524 . 0 0 "[ . 1 . 2]" 1
884 1 37 VAL H 1 59 TRP HH2 . . 5.490 4.306 3.969 4.514 . 0 0 "[ . 1 . 2]" 1
885 1 37 VAL HA 1 37 VAL MG1 . . 3.360 2.450 2.389 2.524 . 0 0 "[ . 1 . 2]" 1
886 1 37 VAL HA 1 37 VAL MG2 . . 3.410 2.309 2.197 2.398 . 0 0 "[ . 1 . 2]" 1
887 1 37 VAL HA 1 38 ASN H . . 2.960 2.240 2.180 2.346 . 0 0 "[ . 1 . 2]" 1
888 1 37 VAL HA 1 42 MET H . . 4.670 4.542 4.227 4.679 0.009 7 0 "[ . 1 . 2]" 1
889 1 37 VAL HA 1 43 CYS QB . . 4.530 4.325 4.065 4.524 . 0 0 "[ . 1 . 2]" 1
890 1 37 VAL HA 1 44 LEU H . . 4.050 3.072 2.612 3.348 . 0 0 "[ . 1 . 2]" 1
891 1 37 VAL HA 1 59 TRP HH2 . . 5.190 4.135 3.559 4.488 . 0 0 "[ . 1 . 2]" 1
892 1 37 VAL HA 1 59 TRP HZ3 . . 3.750 2.280 2.002 2.646 . 0 0 "[ . 1 . 2]" 1
893 1 37 VAL HB 1 38 ASN H . . 4.330 3.985 3.771 4.142 . 0 0 "[ . 1 . 2]" 1
894 1 37 VAL HB 1 43 CYS HA . . 5.130 4.902 4.520 5.140 0.010 7 0 "[ . 1 . 2]" 1
895 1 37 VAL HB 1 59 TRP HZ3 . . 5.350 4.925 4.707 5.087 . 0 0 "[ . 1 . 2]" 1
896 1 37 VAL MG1 1 38 ASN H . . 3.620 2.096 1.851 2.337 . 0 0 "[ . 1 . 2]" 1
897 1 37 VAL MG1 1 38 ASN HA . . 5.080 3.576 3.333 3.759 . 0 0 "[ . 1 . 2]" 1
898 1 37 VAL MG1 1 38 ASN QB . . 4.950 4.020 3.624 4.259 . 0 0 "[ . 1 . 2]" 1
899 1 37 VAL MG1 1 41 ASN H . . 4.450 3.684 3.423 3.860 . 0 0 "[ . 1 . 2]" 1
900 1 37 VAL MG1 1 41 ASN HA . . 3.580 3.090 2.709 3.276 . 0 0 "[ . 1 . 2]" 1
901 1 37 VAL MG1 1 41 ASN QB . . 5.340 4.610 4.284 4.891 . 0 0 "[ . 1 . 2]" 1
902 1 37 VAL MG1 1 42 MET H . . 4.740 3.054 2.805 3.238 . 0 0 "[ . 1 . 2]" 1
903 1 37 VAL MG1 1 43 CYS HA . . 4.160 3.612 3.111 3.802 . 0 0 "[ . 1 . 2]" 1
904 1 37 VAL MG1 1 43 CYS QB . . 4.820 4.676 4.351 4.835 0.015 19 0 "[ . 1 . 2]" 1
905 1 37 VAL MG1 1 43 CYS HG . . 4.440 3.472 2.628 4.439 . 0 0 "[ . 1 . 2]" 1
906 1 37 VAL MG2 1 38 ASN H . . 4.080 3.802 3.552 3.941 . 0 0 "[ . 1 . 2]" 1
907 1 37 VAL MG2 1 41 ASN HA . . 5.110 4.989 4.685 5.111 0.001 13 0 "[ . 1 . 2]" 1
908 1 37 VAL MG2 1 43 CYS HA . . 3.900 2.696 2.132 3.348 . 0 0 "[ . 1 . 2]" 1
909 1 37 VAL MG2 1 43 CYS QB . . 4.150 3.364 2.893 3.834 . 0 0 "[ . 1 . 2]" 1
910 1 37 VAL MG2 1 43 CYS HG . . 4.340 2.738 2.071 3.289 . 0 0 "[ . 1 . 2]" 1
911 1 37 VAL MG2 1 59 TRP HZ3 . . 5.020 4.203 3.875 4.559 . 0 0 "[ . 1 . 2]" 1
912 1 37 VAL MG2 1 62 GLY QA . . 5.170 4.978 4.606 5.168 . 0 0 "[ . 1 . 2]" 1
913 1 38 ASN H 1 38 ASN QB . . 3.620 2.659 2.312 3.070 . 0 0 "[ . 1 . 2]" 1
914 1 38 ASN H 1 38 ASN QD . . 4.910 3.733 1.770 4.556 . 0 0 "[ . 1 . 2]" 1
915 1 38 ASN H 1 40 GLN H . . 5.160 4.334 4.017 4.602 . 0 0 "[ . 1 . 2]" 1
916 1 38 ASN H 1 41 ASN H . . 4.700 4.348 3.835 4.542 . 0 0 "[ . 1 . 2]" 1
917 1 38 ASN H 1 41 ASN HA . . 4.980 4.668 4.179 4.982 0.002 13 0 "[ . 1 . 2]" 1
918 1 38 ASN H 1 42 MET H . . 3.860 2.877 2.660 3.111 . 0 0 "[ . 1 . 2]" 1
919 1 38 ASN H 1 43 CYS HA . . 4.210 3.800 3.365 4.215 0.005 19 0 "[ . 1 . 2]" 1
920 1 38 ASN H 1 44 LEU H . . 5.390 4.428 4.009 4.863 . 0 0 "[ . 1 . 2]" 1
921 1 38 ASN H 1 59 TRP HE3 . . 4.910 3.621 3.281 3.958 . 0 0 "[ . 1 . 2]" 1
922 1 38 ASN H 1 59 TRP HH2 . . 4.730 4.171 3.653 4.682 . 0 0 "[ . 1 . 2]" 1
923 1 38 ASN H 1 59 TRP HZ3 . . 3.720 2.255 1.902 2.709 . 0 0 "[ . 1 . 2]" 1
924 1 38 ASN HA 1 59 TRP HH2 . . 5.010 3.880 3.509 4.472 . 0 0 "[ . 1 . 2]" 1
925 1 38 ASN HA 1 59 TRP HZ3 . . 4.450 3.729 3.367 4.239 . 0 0 "[ . 1 . 2]" 1
926 1 38 ASN QB 1 40 GLN H . . 4.330 2.844 2.428 3.198 . 0 0 "[ . 1 . 2]" 1
927 1 38 ASN QB 1 42 MET H . . 5.050 3.712 2.443 4.467 . 0 0 "[ . 1 . 2]" 1
928 1 38 ASN QB 1 59 TRP HH2 . . 3.850 2.972 2.553 3.214 . 0 0 "[ . 1 . 2]" 1
929 1 38 ASN QB 1 59 TRP HZ3 . . 3.910 2.656 2.320 3.376 . 0 0 "[ . 1 . 2]" 1
930 1 38 ASN HB2 1 40 GLN H . . 5.030 3.220 2.447 4.122 . 0 0 "[ . 1 . 2]" 1
931 1 38 ASN HB2 1 59 TRP HZ3 . . 4.650 3.795 2.422 4.654 0.004 9 0 "[ . 1 . 2]" 1
932 1 38 ASN HB3 1 40 GLN H . . 5.030 3.749 2.982 4.214 . 0 0 "[ . 1 . 2]" 1
933 1 38 ASN HB3 1 59 TRP HZ3 . . 4.650 2.892 2.440 3.466 . 0 0 "[ . 1 . 2]" 1
934 1 38 ASN QD 1 40 GLN QB . . 4.250 1.931 1.665 2.188 . 0 0 "[ . 1 . 2]" 1
935 1 38 ASN QD 1 42 MET H . . 4.300 3.125 1.598 3.699 . 0 0 "[ . 1 . 2]" 1
936 1 38 ASN QD 1 42 MET HB2 . . 3.640 2.177 1.878 2.632 . 0 0 "[ . 1 . 2]" 1
937 1 38 ASN QD 1 42 MET HB3 . . 4.190 3.549 3.149 4.111 . 0 0 "[ . 1 . 2]" 1
938 1 38 ASN QD 1 42 MET QG . . 3.850 2.291 1.833 2.856 . 0 0 "[ . 1 . 2]" 1
939 1 38 ASN HD21 1 42 MET H . . 5.050 3.818 1.799 4.667 . 0 0 "[ . 1 . 2]" 1
940 1 38 ASN HD21 1 42 MET HB2 . . 4.350 2.956 2.151 3.532 . 0 0 "[ . 1 . 2]" 1
941 1 38 ASN HD22 1 42 MET H . . 5.050 3.617 1.789 5.052 0.002 7 0 "[ . 1 . 2]" 1
942 1 38 ASN HD22 1 42 MET HB2 . . 4.350 2.724 1.898 4.369 0.019 7 0 "[ . 1 . 2]" 1
943 1 39 GLN HA 1 39 GLN QG . . 3.590 2.628 2.155 3.455 . 0 0 "[ . 1 . 2]" 1
944 1 39 GLN HA 1 41 ASN H . . 4.210 3.312 3.222 3.382 . 0 0 "[ . 1 . 2]" 1
945 1 39 GLN QB 1 40 GLN H . . 4.000 3.210 2.866 3.889 . 0 0 "[ . 1 . 2]" 1
946 1 39 GLN QB 1 41 ASN H . . 5.340 4.461 4.268 4.698 . 0 0 "[ . 1 . 2]" 1
947 1 39 GLN HB2 1 40 GLN H . . 4.650 3.649 3.022 4.326 . 0 0 "[ . 1 . 2]" 1
948 1 39 GLN HB3 1 40 GLN H . . 4.650 3.810 3.110 4.406 . 0 0 "[ . 1 . 2]" 1
949 1 39 GLN QG 1 40 GLN H . . 4.860 4.111 2.706 4.680 . 0 0 "[ . 1 . 2]" 1
950 1 40 GLN H 1 40 GLN HB2 . . 3.780 2.344 2.199 2.586 . 0 0 "[ . 1 . 2]" 1
951 1 40 GLN H 1 40 GLN QB . . 3.160 2.274 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
952 1 40 GLN H 1 40 GLN HB3 . . 3.780 3.274 2.649 3.623 . 0 0 "[ . 1 . 2]" 1
953 1 40 GLN H 1 40 GLN HG2 . . 4.650 3.947 2.031 4.659 0.009 18 0 "[ . 1 . 2]" 1
954 1 40 GLN H 1 40 GLN QG . . 3.980 3.357 2.014 4.078 0.098 20 0 "[ . 1 . 2]" 1
955 1 40 GLN H 1 40 GLN HG3 . . 4.650 3.863 2.806 4.635 . 0 0 "[ . 1 . 2]" 1
956 1 40 GLN H 1 41 ASN H . . 3.240 2.686 2.536 2.815 . 0 0 "[ . 1 . 2]" 1
957 1 40 GLN H 1 41 ASN HA . . 5.070 4.816 4.605 4.924 . 0 0 "[ . 1 . 2]" 1
958 1 40 GLN HA 1 40 GLN HG2 . . 3.810 3.007 2.205 3.716 . 0 0 "[ . 1 . 2]" 1
959 1 40 GLN HA 1 40 GLN QG . . 3.270 2.443 2.154 2.830 . 0 0 "[ . 1 . 2]" 1
960 1 40 GLN HA 1 40 GLN HG3 . . 3.810 2.897 2.194 3.842 0.032 19 0 "[ . 1 . 2]" 1
961 1 40 GLN HA 1 42 MET H . . 5.050 4.675 4.382 4.983 . 0 0 "[ . 1 . 2]" 1
962 1 40 GLN QB 1 42 MET H . . 4.200 3.400 3.137 3.591 . 0 0 "[ . 1 . 2]" 1
963 1 40 GLN HB2 1 41 ASN H . . 4.520 4.037 3.510 4.435 . 0 0 "[ . 1 . 2]" 1
964 1 40 GLN HB3 1 41 ASN H . . 4.520 4.107 3.647 4.435 . 0 0 "[ . 1 . 2]" 1
965 1 40 GLN QG 1 41 ASN H . . 5.340 4.614 4.228 4.894 . 0 0 "[ . 1 . 2]" 1
966 1 41 ASN H 1 41 ASN HA . . 2.860 2.276 2.273 2.283 . 0 0 "[ . 1 . 2]" 1
967 1 41 ASN H 1 42 MET H . . 3.350 2.628 2.499 2.757 . 0 0 "[ . 1 . 2]" 1
968 1 41 ASN HA 1 42 MET H . . 3.490 2.883 2.764 2.973 . 0 0 "[ . 1 . 2]" 1
969 1 42 MET H 1 42 MET HB2 . . 3.550 2.577 2.455 2.812 . 0 0 "[ . 1 . 2]" 1
970 1 42 MET H 1 42 MET HB3 . . 4.130 3.717 3.660 3.827 . 0 0 "[ . 1 . 2]" 1
971 1 42 MET H 1 42 MET HG2 . . 4.160 2.904 2.495 3.817 . 0 0 "[ . 1 . 2]" 1
972 1 42 MET H 1 42 MET QG . . 3.450 2.671 2.459 3.032 . 0 0 "[ . 1 . 2]" 1
973 1 42 MET H 1 42 MET HG3 . . 4.160 3.635 2.744 4.108 . 0 0 "[ . 1 . 2]" 1
974 1 42 MET H 1 43 CYS H . . 4.710 4.505 4.448 4.544 . 0 0 "[ . 1 . 2]" 1
975 1 42 MET H 1 59 TRP HZ3 . . 5.500 4.539 4.181 4.820 . 0 0 "[ . 1 . 2]" 1
976 1 42 MET HA 1 42 MET ME . . 3.980 3.495 3.071 3.787 . 0 0 "[ . 1 . 2]" 1
977 1 42 MET HA 1 42 MET QG . . 3.620 2.742 2.248 2.974 . 0 0 "[ . 1 . 2]" 1
978 1 42 MET HA 1 43 CYS H . . 3.090 2.429 2.199 2.576 . 0 0 "[ . 1 . 2]" 1
979 1 42 MET HA 1 43 CYS QB . . 4.710 4.280 4.049 4.456 . 0 0 "[ . 1 . 2]" 1
980 1 42 MET HA 1 59 TRP HE3 . . 4.610 4.204 3.872 4.533 . 0 0 "[ . 1 . 2]" 1
981 1 42 MET HA 1 60 VAL H . . 4.790 4.544 4.228 4.790 . 0 0 "[ . 1 . 2]" 1
982 1 42 MET HA 1 60 VAL MG2 . . 5.500 5.057 4.906 5.215 . 0 0 "[ . 1 . 2]" 1
983 1 42 MET HA 1 61 PRO HA . . 3.600 2.699 2.483 3.004 . 0 0 "[ . 1 . 2]" 1
984 1 42 MET HA 1 62 GLY H . . 3.460 3.377 3.227 3.464 0.004 13 0 "[ . 1 . 2]" 1
985 1 42 MET HA 1 62 GLY QA . . 5.020 4.970 4.847 5.025 0.005 14 0 "[ . 1 . 2]" 1
986 1 42 MET HB2 1 43 CYS H . . 4.360 3.529 3.098 4.004 . 0 0 "[ . 1 . 2]" 1
987 1 42 MET HB2 1 59 TRP HB2 . . 4.770 4.511 4.108 4.762 . 0 0 "[ . 1 . 2]" 1
988 1 42 MET HB2 1 59 TRP HE3 . . 3.840 2.384 2.006 2.630 . 0 0 "[ . 1 . 2]" 1
989 1 42 MET HB2 1 59 TRP HZ3 . . 5.260 3.744 3.467 3.950 . 0 0 "[ . 1 . 2]" 1
990 1 42 MET HB3 1 42 MET ME . . 3.330 2.264 1.951 2.750 . 0 0 "[ . 1 . 2]" 1
991 1 42 MET HB3 1 43 CYS H . . 3.820 2.415 2.082 3.037 . 0 0 "[ . 1 . 2]" 1
992 1 42 MET HB3 1 43 CYS HA . . 5.420 4.512 4.286 4.748 . 0 0 "[ . 1 . 2]" 1
993 1 42 MET HB3 1 43 CYS QB . . 5.500 4.785 4.599 5.139 . 0 0 "[ . 1 . 2]" 1
994 1 42 MET HB3 1 59 TRP HB2 . . 4.110 3.784 3.511 4.019 . 0 0 "[ . 1 . 2]" 1
995 1 42 MET HB3 1 59 TRP HB3 . . 4.280 2.260 2.025 2.496 . 0 0 "[ . 1 . 2]" 1
996 1 42 MET HB3 1 59 TRP HE3 . . 3.330 2.542 2.153 2.922 . 0 0 "[ . 1 . 2]" 1
997 1 42 MET HB3 1 59 TRP HZ3 . . 5.500 4.643 4.279 4.989 . 0 0 "[ . 1 . 2]" 1
998 1 42 MET HB3 1 60 VAL H . . 4.740 3.328 3.012 3.596 . 0 0 "[ . 1 . 2]" 1
999 1 42 MET HB3 1 60 VAL MG2 . . 5.050 4.914 4.669 5.051 0.001 5 0 "[ . 1 . 2]" 1
1000 1 42 MET ME 1 42 MET QG . . 3.100 2.284 2.052 2.406 . 0 0 "[ . 1 . 2]" 1
1001 1 42 MET ME 1 43 CYS H . . 4.280 3.589 3.240 3.842 . 0 0 "[ . 1 . 2]" 1
1002 1 42 MET ME 1 45 VAL MG2 . . 5.420 5.124 4.872 5.422 0.002 2 0 "[ . 1 . 2]" 1
1003 1 42 MET ME 1 59 TRP H . . 4.610 4.403 4.125 4.613 0.003 9 0 "[ . 1 . 2]" 1
1004 1 42 MET ME 1 59 TRP HA . . 4.490 4.018 3.710 4.369 . 0 0 "[ . 1 . 2]" 1
1005 1 42 MET ME 1 59 TRP HB2 . . 3.280 2.815 2.449 3.126 . 0 0 "[ . 1 . 2]" 1
1006 1 42 MET ME 1 59 TRP HB3 . . 3.960 2.496 2.182 2.875 . 0 0 "[ . 1 . 2]" 1
1007 1 42 MET ME 1 59 TRP HE3 . . 4.330 4.104 3.807 4.331 0.001 9 0 "[ . 1 . 2]" 1
1008 1 42 MET ME 1 60 VAL H . . 4.000 3.175 2.634 3.471 . 0 0 "[ . 1 . 2]" 1
1009 1 42 MET ME 1 60 VAL HA . . 3.410 2.199 1.965 2.652 . 0 0 "[ . 1 . 2]" 1
1010 1 42 MET ME 1 60 VAL MG1 . . 4.460 3.762 3.498 4.054 . 0 0 "[ . 1 . 2]" 1
1011 1 42 MET ME 1 60 VAL MG2 . . 4.570 4.171 3.887 4.463 . 0 0 "[ . 1 . 2]" 1
1012 1 42 MET ME 1 61 PRO HA . . 3.860 3.632 3.236 3.846 . 0 0 "[ . 1 . 2]" 1
1013 1 42 MET QG 1 43 CYS H . . 4.760 4.199 3.695 4.565 . 0 0 "[ . 1 . 2]" 1
1014 1 42 MET QG 1 59 TRP HE3 . . 4.490 4.062 3.807 4.396 . 0 0 "[ . 1 . 2]" 1
1015 1 42 MET HG2 1 59 TRP HE3 . . 5.240 4.851 4.585 5.133 . 0 0 "[ . 1 . 2]" 1
1016 1 42 MET HG3 1 59 TRP HE3 . . 5.240 4.364 4.068 4.831 . 0 0 "[ . 1 . 2]" 1
1017 1 43 CYS H 1 43 CYS QB . . 3.310 2.578 2.416 2.703 . 0 0 "[ . 1 . 2]" 1
1018 1 43 CYS H 1 59 TRP HA . . 4.840 4.160 3.859 4.802 . 0 0 "[ . 1 . 2]" 1
1019 1 43 CYS H 1 59 TRP HE3 . . 4.110 3.124 2.698 3.579 . 0 0 "[ . 1 . 2]" 1
1020 1 43 CYS H 1 60 VAL H . . 3.760 2.592 2.215 2.964 . 0 0 "[ . 1 . 2]" 1
1021 1 43 CYS H 1 60 VAL MG2 . . 4.210 3.496 3.293 3.663 . 0 0 "[ . 1 . 2]" 1
1022 1 43 CYS H 1 61 PRO HA . . 4.230 3.732 3.575 3.903 . 0 0 "[ . 1 . 2]" 1
1023 1 43 CYS H 1 62 GLY H . . 4.460 3.916 3.224 4.439 . 0 0 "[ . 1 . 2]" 1
1024 1 43 CYS H 1 62 GLY QA . . 5.030 4.803 4.262 5.033 0.003 2 0 "[ . 1 . 2]" 1
1025 1 43 CYS HA 1 44 LEU H . . 2.960 2.156 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
1026 1 43 CYS HA 1 44 LEU HA . . 5.010 4.419 4.368 4.481 . 0 0 "[ . 1 . 2]" 1
1027 1 43 CYS HA 1 44 LEU HB2 . . 4.920 4.582 4.455 4.751 . 0 0 "[ . 1 . 2]" 1
1028 1 43 CYS HA 1 44 LEU HB3 . . 4.850 4.565 4.432 4.659 . 0 0 "[ . 1 . 2]" 1
1029 1 43 CYS HA 1 59 TRP HE3 . . 4.260 3.335 3.040 3.530 . 0 0 "[ . 1 . 2]" 1
1030 1 43 CYS HA 1 59 TRP HZ3 . . 3.940 3.249 2.751 3.645 . 0 0 "[ . 1 . 2]" 1
1031 1 43 CYS HA 1 60 VAL MG2 . . 5.500 4.964 4.783 5.168 . 0 0 "[ . 1 . 2]" 1
1032 1 43 CYS QB 1 44 LEU H . . 3.820 3.505 3.327 3.681 . 0 0 "[ . 1 . 2]" 1
1033 1 43 CYS QB 1 45 VAL MG1 . . 3.090 2.692 2.569 3.056 . 0 0 "[ . 1 . 2]" 1
1034 1 43 CYS QB 1 45 VAL MG2 . . 4.540 4.216 3.946 4.494 . 0 0 "[ . 1 . 2]" 1
1035 1 43 CYS QB 1 59 TRP HB3 . . 5.500 5.478 5.355 5.507 0.007 14 0 "[ . 1 . 2]" 1
1036 1 43 CYS QB 1 60 VAL H . . 4.290 3.626 3.472 3.961 . 0 0 "[ . 1 . 2]" 1
1037 1 43 CYS QB 1 60 VAL MG2 . . 3.470 2.841 2.615 3.045 . 0 0 "[ . 1 . 2]" 1
1038 1 43 CYS QB 1 62 GLY QA . . 4.450 3.393 3.195 3.670 . 0 0 "[ . 1 . 2]" 1
1039 1 43 CYS QB 1 65 LEU HB2 . . 5.500 4.946 4.635 5.234 . 0 0 "[ . 1 . 2]" 1
1040 1 43 CYS QB 1 65 LEU MD1 . . 3.260 2.496 2.223 2.804 . 0 0 "[ . 1 . 2]" 1
1041 1 43 CYS QB 1 65 LEU HG . . 5.210 4.604 4.329 5.029 . 0 0 "[ . 1 . 2]" 1
1042 1 43 CYS HG 1 62 GLY H . . 4.640 3.338 2.538 4.267 . 0 0 "[ . 1 . 2]" 1
1043 1 44 LEU H 1 44 LEU HB2 . . 3.650 2.499 2.415 2.583 . 0 0 "[ . 1 . 2]" 1
1044 1 44 LEU H 1 44 LEU HB3 . . 3.480 2.516 2.444 2.597 . 0 0 "[ . 1 . 2]" 1
1045 1 44 LEU H 1 44 LEU MD1 . . 4.710 4.009 3.913 4.117 . 0 0 "[ . 1 . 2]" 1
1046 1 44 LEU H 1 44 LEU MD2 . . 4.580 4.206 4.170 4.257 . 0 0 "[ . 1 . 2]" 1
1047 1 44 LEU H 1 44 LEU HG . . 4.860 4.494 4.445 4.550 . 0 0 "[ . 1 . 2]" 1
1048 1 44 LEU H 1 59 TRP HE3 . . 4.520 2.958 2.613 3.253 . 0 0 "[ . 1 . 2]" 1
1049 1 44 LEU H 1 59 TRP HH2 . . 5.500 4.004 3.697 4.293 . 0 0 "[ . 1 . 2]" 1
1050 1 44 LEU H 1 59 TRP HZ3 . . 4.220 2.722 2.495 3.096 . 0 0 "[ . 1 . 2]" 1
1051 1 44 LEU HA 1 44 LEU MD1 . . 3.090 2.078 1.962 2.238 . 0 0 "[ . 1 . 2]" 1
1052 1 44 LEU HA 1 44 LEU MD2 . . 4.310 3.857 3.752 3.916 . 0 0 "[ . 1 . 2]" 1
1053 1 44 LEU HA 1 44 LEU HG . . 3.690 3.203 3.040 3.288 . 0 0 "[ . 1 . 2]" 1
1054 1 44 LEU HA 1 45 VAL H . . 2.920 2.186 2.152 2.218 . 0 0 "[ . 1 . 2]" 1
1055 1 44 LEU HA 1 45 VAL MG1 . . 4.620 4.015 3.786 4.148 . 0 0 "[ . 1 . 2]" 1
1056 1 44 LEU HA 1 45 VAL MG2 . . 4.320 3.836 3.503 4.053 . 0 0 "[ . 1 . 2]" 1
1057 1 44 LEU HA 1 58 GLY H . . 5.220 5.122 4.724 5.222 0.002 13 0 "[ . 1 . 2]" 1
1058 1 44 LEU HA 1 59 TRP H . . 4.940 4.488 4.281 4.616 . 0 0 "[ . 1 . 2]" 1
1059 1 44 LEU HA 1 59 TRP HA . . 3.160 2.234 2.059 2.378 . 0 0 "[ . 1 . 2]" 1
1060 1 44 LEU HA 1 59 TRP HB2 . . 5.500 4.612 4.444 4.755 . 0 0 "[ . 1 . 2]" 1
1061 1 44 LEU HA 1 59 TRP HB3 . . 5.030 3.833 3.466 4.113 . 0 0 "[ . 1 . 2]" 1
1062 1 44 LEU HA 1 59 TRP HD1 . . 5.500 4.440 4.281 4.527 . 0 0 "[ . 1 . 2]" 1
1063 1 44 LEU HA 1 59 TRP HE1 . . 5.500 4.714 4.572 4.858 . 0 0 "[ . 1 . 2]" 1
1064 1 44 LEU HA 1 59 TRP HE3 . . 4.550 3.459 3.118 3.683 . 0 0 "[ . 1 . 2]" 1
1065 1 44 LEU HA 1 60 VAL H . . 4.110 3.736 3.527 3.957 . 0 0 "[ . 1 . 2]" 1
1066 1 44 LEU HB2 1 44 LEU MD1 . . 3.390 2.344 2.254 2.451 . 0 0 "[ . 1 . 2]" 1
1067 1 44 LEU HB2 1 44 LEU MD2 . . 3.370 2.314 2.127 2.455 . 0 0 "[ . 1 . 2]" 1
1068 1 44 LEU HB2 1 45 VAL H . . 4.740 4.459 4.157 4.530 . 0 0 "[ . 1 . 2]" 1
1069 1 44 LEU HB2 1 59 TRP HA . . 4.650 4.390 4.140 4.552 . 0 0 "[ . 1 . 2]" 1
1070 1 44 LEU HB2 1 59 TRP HE3 . . 4.940 3.621 3.362 4.049 . 0 0 "[ . 1 . 2]" 1
1071 1 44 LEU HB2 1 59 TRP HH2 . . 4.640 3.070 2.948 3.210 . 0 0 "[ . 1 . 2]" 1
1072 1 44 LEU HB2 1 59 TRP HZ2 . . 4.190 3.037 2.862 3.175 . 0 0 "[ . 1 . 2]" 1
1073 1 44 LEU HB2 1 59 TRP HZ3 . . 4.810 3.365 3.141 3.784 . 0 0 "[ . 1 . 2]" 1
1074 1 44 LEU HB3 1 44 LEU MD1 . . 3.580 3.184 3.178 3.196 . 0 0 "[ . 1 . 2]" 1
1075 1 44 LEU HB3 1 44 LEU MD2 . . 3.280 2.354 2.188 2.523 . 0 0 "[ . 1 . 2]" 1
1076 1 44 LEU HB3 1 45 VAL H . . 5.090 4.411 4.247 4.457 . 0 0 "[ . 1 . 2]" 1
1077 1 44 LEU HB3 1 59 TRP HH2 . . 4.600 4.035 3.832 4.301 . 0 0 "[ . 1 . 2]" 1
1078 1 44 LEU HB3 1 59 TRP HZ2 . . 4.660 4.402 4.251 4.548 . 0 0 "[ . 1 . 2]" 1
1079 1 44 LEU HB3 1 59 TRP HZ3 . . 5.500 4.262 3.873 4.613 . 0 0 "[ . 1 . 2]" 1
1080 1 44 LEU MD1 1 45 VAL H . . 3.420 3.038 2.468 3.390 . 0 0 "[ . 1 . 2]" 1
1081 1 44 LEU MD1 1 45 VAL MG2 . . 4.970 4.150 3.869 4.405 . 0 0 "[ . 1 . 2]" 1
1082 1 44 LEU MD1 1 57 GLU HA . . 4.460 4.147 3.905 4.373 . 0 0 "[ . 1 . 2]" 1
1083 1 44 LEU MD1 1 57 GLU HB2 . . 4.680 4.269 4.111 4.440 . 0 0 "[ . 1 . 2]" 1
1084 1 44 LEU MD1 1 57 GLU HB3 . . 4.590 3.566 3.094 4.177 . 0 0 "[ . 1 . 2]" 1
1085 1 44 LEU MD1 1 57 GLU HG2 . . 3.510 1.963 1.861 2.076 . 0 0 "[ . 1 . 2]" 1
1086 1 44 LEU MD1 1 57 GLU HG3 . . 4.040 3.116 2.458 3.584 . 0 0 "[ . 1 . 2]" 1
1087 1 44 LEU MD1 1 58 GLY H . . 3.620 3.497 3.269 3.616 . 0 0 "[ . 1 . 2]" 1
1088 1 44 LEU MD1 1 58 GLY HA2 . . 3.650 3.499 3.259 3.615 . 0 0 "[ . 1 . 2]" 1
1089 1 44 LEU MD1 1 58 GLY HA3 . . 4.620 4.465 4.185 4.619 . 0 0 "[ . 1 . 2]" 1
1090 1 44 LEU MD1 1 59 TRP H . . 4.380 3.726 3.404 4.048 . 0 0 "[ . 1 . 2]" 1
1091 1 44 LEU MD1 1 59 TRP HA . . 4.040 3.131 2.881 3.324 . 0 0 "[ . 1 . 2]" 1
1092 1 44 LEU MD1 1 59 TRP HB3 . . 5.020 4.259 4.002 4.647 . 0 0 "[ . 1 . 2]" 1
1093 1 44 LEU MD1 1 59 TRP HD1 . . 4.050 2.930 2.719 3.200 . 0 0 "[ . 1 . 2]" 1
1094 1 44 LEU MD1 1 59 TRP HE1 . . 3.860 2.353 1.994 2.586 . 0 0 "[ . 1 . 2]" 1
1095 1 44 LEU MD1 1 59 TRP HE3 . . 4.960 4.209 3.979 4.560 . 0 0 "[ . 1 . 2]" 1
1096 1 44 LEU MD1 1 59 TRP HH2 . . 5.060 4.524 4.350 4.793 . 0 0 "[ . 1 . 2]" 1
1097 1 44 LEU MD1 1 59 TRP HZ2 . . 4.210 3.274 2.963 3.585 . 0 0 "[ . 1 . 2]" 1
1098 1 44 LEU MD1 1 60 VAL H . . 5.250 4.925 4.713 5.133 . 0 0 "[ . 1 . 2]" 1
1099 1 44 LEU MD2 1 45 VAL H . . 5.150 5.039 4.534 5.159 0.009 19 0 "[ . 1 . 2]" 1
1100 1 44 LEU MD2 1 57 GLU HG2 . . 4.700 3.686 3.403 4.096 . 0 0 "[ . 1 . 2]" 1
1101 1 44 LEU MD2 1 57 GLU HG3 . . 4.700 3.929 3.216 4.536 . 0 0 "[ . 1 . 2]" 1
1102 1 44 LEU MD2 1 59 TRP HE1 . . 4.770 3.379 2.979 3.828 . 0 0 "[ . 1 . 2]" 1
1103 1 44 LEU MD2 1 59 TRP HH2 . . 4.670 3.474 3.133 3.863 . 0 0 "[ . 1 . 2]" 1
1104 1 44 LEU MD2 1 59 TRP HZ2 . . 3.700 2.511 2.061 2.829 . 0 0 "[ . 1 . 2]" 1
1105 1 44 LEU HG 1 45 VAL H . . 4.640 3.878 3.245 4.174 . 0 0 "[ . 1 . 2]" 1
1106 1 44 LEU HG 1 57 GLU HG2 . . 4.830 3.025 2.662 3.655 . 0 0 "[ . 1 . 2]" 1
1107 1 44 LEU HG 1 57 GLU HG3 . . 4.960 3.502 2.944 3.872 . 0 0 "[ . 1 . 2]" 1
1108 1 45 VAL H 1 45 VAL MG1 . . 3.630 2.786 2.494 3.216 . 0 0 "[ . 1 . 2]" 1
1109 1 45 VAL H 1 45 VAL MG2 . . 3.240 2.093 1.913 2.309 . 0 0 "[ . 1 . 2]" 1
1110 1 45 VAL H 1 57 GLU HA . . 5.500 5.489 5.330 5.506 0.006 18 0 "[ . 1 . 2]" 1
1111 1 45 VAL H 1 58 GLY H . . 4.120 3.952 3.549 4.102 . 0 0 "[ . 1 . 2]" 1
1112 1 45 VAL H 1 59 TRP HA . . 3.870 2.544 2.385 2.674 . 0 0 "[ . 1 . 2]" 1
1113 1 45 VAL H 1 60 VAL MG1 . . 5.270 3.767 3.466 4.120 . 0 0 "[ . 1 . 2]" 1
1114 1 45 VAL H 1 60 VAL MG2 . . 5.070 3.651 3.284 4.308 . 0 0 "[ . 1 . 2]" 1
1115 1 45 VAL HA 1 45 VAL MG1 . . 3.060 2.318 2.217 2.439 . 0 0 "[ . 1 . 2]" 1
1116 1 45 VAL HA 1 45 VAL MG2 . . 3.740 3.197 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1117 1 45 VAL HA 1 46 TYR H . . 2.920 2.221 2.194 2.287 . 0 0 "[ . 1 . 2]" 1
1118 1 45 VAL HA 1 46 TYR HB2 . . 4.890 4.493 4.438 4.562 . 0 0 "[ . 1 . 2]" 1
1119 1 45 VAL HA 1 46 TYR HB3 . . 4.730 4.588 4.485 4.636 . 0 0 "[ . 1 . 2]" 1
1120 1 45 VAL HA 1 60 VAL MG2 . . 5.500 4.728 4.482 5.013 . 0 0 "[ . 1 . 2]" 1
1121 1 45 VAL HB 1 46 TYR H . . 3.450 2.904 2.694 3.009 . 0 0 "[ . 1 . 2]" 1
1122 1 45 VAL MG1 1 46 TYR H . . 4.110 3.830 3.674 3.967 . 0 0 "[ . 1 . 2]" 1
1123 1 45 VAL MG1 1 60 VAL H . . 4.700 3.609 3.232 4.120 . 0 0 "[ . 1 . 2]" 1
1124 1 45 VAL MG2 1 46 TYR H . . 4.230 3.786 3.535 3.949 . 0 0 "[ . 1 . 2]" 1
1125 1 45 VAL MG2 1 46 TYR HA . . 5.000 4.094 3.850 4.280 . 0 0 "[ . 1 . 2]" 1
1126 1 45 VAL MG2 1 47 GLN H . . 4.660 4.130 3.912 4.451 . 0 0 "[ . 1 . 2]" 1
1127 1 45 VAL MG2 1 47 GLN HB2 . . 4.560 3.881 3.693 4.230 . 0 0 "[ . 1 . 2]" 1
1128 1 45 VAL MG2 1 57 GLU HA . . 4.940 4.660 4.398 4.849 . 0 0 "[ . 1 . 2]" 1
1129 1 45 VAL MG2 1 58 GLY H . . 3.960 3.243 3.043 3.411 . 0 0 "[ . 1 . 2]" 1
1130 1 45 VAL MG2 1 60 VAL H . . 4.640 3.116 2.807 3.425 . 0 0 "[ . 1 . 2]" 1
1131 1 45 VAL MG2 1 60 VAL MG1 . . 3.370 1.942 1.787 2.188 . 0 0 "[ . 1 . 2]" 1
1132 1 45 VAL MG2 1 61 PRO HD2 . . 5.500 5.428 5.233 5.502 0.002 18 0 "[ . 1 . 2]" 1
1133 1 46 TYR H 1 46 TYR HB2 . . 3.500 2.852 2.770 3.011 . 0 0 "[ . 1 . 2]" 1
1134 1 46 TYR H 1 46 TYR HB3 . . 3.460 2.472 2.420 2.512 . 0 0 "[ . 1 . 2]" 1
1135 1 46 TYR H 1 46 TYR QD . . 4.660 4.173 4.090 4.209 . 0 0 "[ . 1 . 2]" 1
1136 1 46 TYR HA 1 46 TYR QD . . 3.400 3.143 3.099 3.185 . 0 0 "[ . 1 . 2]" 1
1137 1 46 TYR HA 1 46 TYR QE . . 4.980 4.778 4.736 4.830 . 0 0 "[ . 1 . 2]" 1
1138 1 46 TYR HA 1 47 GLN H . . 2.900 2.144 2.138 2.153 . 0 0 "[ . 1 . 2]" 1
1139 1 46 TYR HA 1 47 GLN HB2 . . 5.090 4.840 4.736 4.973 . 0 0 "[ . 1 . 2]" 1
1140 1 46 TYR HA 1 47 GLN HB3 . . 5.380 4.414 4.319 4.526 . 0 0 "[ . 1 . 2]" 1
1141 1 46 TYR HA 1 57 GLU HA . . 3.220 2.136 1.995 2.284 . 0 0 "[ . 1 . 2]" 1
1142 1 46 TYR HA 1 57 GLU HB2 . . 4.620 3.590 2.730 4.037 . 0 0 "[ . 1 . 2]" 1
1143 1 46 TYR HA 1 57 GLU HB3 . . 4.800 4.581 4.190 4.800 0.000 3 0 "[ . 1 . 2]" 1
1144 1 46 TYR HA 1 57 GLU HG2 . . 4.460 3.328 2.913 3.659 . 0 0 "[ . 1 . 2]" 1
1145 1 46 TYR HA 1 57 GLU HG3 . . 4.630 2.940 2.171 3.986 . 0 0 "[ . 1 . 2]" 1
1146 1 46 TYR HA 1 58 GLY H . . 4.460 3.112 2.837 3.286 . 0 0 "[ . 1 . 2]" 1
1147 1 46 TYR HB2 1 47 GLN H . . 4.530 4.351 4.268 4.421 . 0 0 "[ . 1 . 2]" 1
1148 1 46 TYR HB2 1 57 GLU HA . . 4.590 4.059 3.826 4.209 . 0 0 "[ . 1 . 2]" 1
1149 1 46 TYR HB2 1 57 GLU HG3 . . 4.710 3.016 2.412 3.835 . 0 0 "[ . 1 . 2]" 1
1150 1 46 TYR HB3 1 47 GLN H . . 4.810 4.364 4.262 4.395 . 0 0 "[ . 1 . 2]" 1
1151 1 46 TYR HB3 1 57 GLU HA . . 5.410 5.026 4.817 5.193 . 0 0 "[ . 1 . 2]" 1
1152 1 46 TYR HB3 1 57 GLU HG3 . . 5.500 4.648 3.972 5.503 0.003 15 0 "[ . 1 . 2]" 1
1153 1 46 TYR QD 1 47 GLN H . . 3.900 3.772 3.589 3.886 . 0 0 "[ . 1 . 2]" 1
1154 1 46 TYR QD 1 48 PRO HA . . 4.420 3.672 3.533 3.897 . 0 0 "[ . 1 . 2]" 1
1155 1 46 TYR QD 1 48 PRO HB3 . . 4.140 3.568 3.479 3.797 . 0 0 "[ . 1 . 2]" 1
1156 1 46 TYR QD 1 48 PRO HD2 . . 4.710 4.178 4.050 4.362 . 0 0 "[ . 1 . 2]" 1
1157 1 46 TYR QD 1 48 PRO HD3 . . 4.020 2.585 2.455 2.783 . 0 0 "[ . 1 . 2]" 1
1158 1 46 TYR QD 1 48 PRO HG2 . . 5.500 5.178 5.073 5.409 . 0 0 "[ . 1 . 2]" 1
1159 1 46 TYR QD 1 48 PRO HG3 . . 4.490 4.264 4.088 4.494 0.004 1 0 "[ . 1 . 2]" 1
1160 1 46 TYR QD 1 55 ALA MB . . 4.930 4.809 3.976 4.931 0.001 15 0 "[ . 1 . 2]" 1
1161 1 46 TYR QD 1 57 GLU HA . . 4.410 3.745 3.513 3.932 . 0 0 "[ . 1 . 2]" 1
1162 1 46 TYR QD 1 57 GLU HB2 . . 3.160 2.710 2.116 3.097 . 0 0 "[ . 1 . 2]" 1
1163 1 46 TYR QD 1 57 GLU HB3 . . 4.820 4.272 3.586 4.660 . 0 0 "[ . 1 . 2]" 1
1164 1 46 TYR QD 1 57 GLU HG2 . . 4.570 4.327 4.055 4.545 . 0 0 "[ . 1 . 2]" 1
1165 1 46 TYR QD 1 57 GLU HG3 . . 4.570 2.996 2.444 3.963 . 0 0 "[ . 1 . 2]" 1
1166 1 46 TYR QE 1 47 GLN H . . 5.140 4.875 4.616 5.019 . 0 0 "[ . 1 . 2]" 1
1167 1 46 TYR QE 1 48 PRO HA . . 3.410 2.196 2.013 2.410 . 0 0 "[ . 1 . 2]" 1
1168 1 46 TYR QE 1 48 PRO HB2 . . 4.680 4.060 3.740 4.203 . 0 0 "[ . 1 . 2]" 1
1169 1 46 TYR QE 1 48 PRO HB3 . . 3.610 2.672 2.198 2.922 . 0 0 "[ . 1 . 2]" 1
1170 1 46 TYR QE 1 48 PRO HD3 . . 4.360 3.802 3.461 3.949 . 0 0 "[ . 1 . 2]" 1
1171 1 46 TYR QE 1 48 PRO HG3 . . 4.810 4.572 4.069 4.810 . 0 0 "[ . 1 . 2]" 1
1172 1 46 TYR QE 1 49 ALA H . . 4.260 4.104 3.896 4.246 . 0 0 "[ . 1 . 2]" 1
1173 1 46 TYR QE 1 55 ALA HA . . 4.950 4.094 3.818 4.584 . 0 0 "[ . 1 . 2]" 1
1174 1 46 TYR QE 1 55 ALA MB . . 3.420 3.177 2.437 3.324 . 0 0 "[ . 1 . 2]" 1
1175 1 46 TYR QE 1 57 GLU HB2 . . 4.140 3.838 3.617 4.041 . 0 0 "[ . 1 . 2]" 1
1176 1 47 GLN H 1 47 GLN HB2 . . 3.670 3.007 2.869 3.121 . 0 0 "[ . 1 . 2]" 1
1177 1 47 GLN H 1 47 GLN HB3 . . 3.360 2.318 2.239 2.401 . 0 0 "[ . 1 . 2]" 1
1178 1 47 GLN H 1 47 GLN HG2 . . 4.520 4.195 4.015 4.347 . 0 0 "[ . 1 . 2]" 1
1179 1 47 GLN H 1 47 GLN HG3 . . 4.550 4.518 4.444 4.547 . 0 0 "[ . 1 . 2]" 1
1180 1 47 GLN H 1 48 PRO HD3 . . 4.740 4.437 4.367 4.526 . 0 0 "[ . 1 . 2]" 1
1181 1 47 GLN H 1 55 ALA HA . . 5.500 5.404 5.223 5.509 0.009 19 0 "[ . 1 . 2]" 1
1182 1 47 GLN H 1 56 ALA H . . 3.790 3.743 3.627 3.802 0.012 13 0 "[ . 1 . 2]" 1
1183 1 47 GLN H 1 56 ALA MB . . 4.590 4.452 4.323 4.511 . 0 0 "[ . 1 . 2]" 1
1184 1 47 GLN H 1 57 GLU HA . . 4.070 2.530 2.137 2.715 . 0 0 "[ . 1 . 2]" 1
1185 1 47 GLN H 1 58 GLY H . . 4.950 3.232 3.090 3.420 . 0 0 "[ . 1 . 2]" 1
1186 1 47 GLN HB2 1 48 PRO HD2 . . 4.560 3.895 3.718 4.037 . 0 0 "[ . 1 . 2]" 1
1187 1 47 GLN HB2 1 48 PRO HD3 . . 4.960 4.748 4.650 4.822 . 0 0 "[ . 1 . 2]" 1
1188 1 47 GLN HB2 1 56 ALA H . . 5.190 5.060 4.724 5.188 . 0 0 "[ . 1 . 2]" 1
1189 1 47 GLN HB3 1 55 ALA HA . . 5.500 5.034 4.740 5.261 . 0 0 "[ . 1 . 2]" 1
1190 1 47 GLN HB3 1 56 ALA H . . 3.920 3.520 3.163 3.681 . 0 0 "[ . 1 . 2]" 1
1191 1 47 GLN HB3 1 56 ALA MB . . 3.720 3.703 3.595 3.728 0.008 5 0 "[ . 1 . 2]" 1
1192 1 47 GLN HB3 1 58 GLY HA3 . . 5.020 5.019 4.984 5.030 0.010 13 0 "[ . 1 . 2]" 1
1193 1 47 GLN QE 1 47 GLN HG3 . . 3.470 2.399 2.100 3.341 . 0 0 "[ . 1 . 2]" 1
1194 1 47 GLN HG2 1 55 ALA HA . . 4.510 4.007 3.344 4.508 . 0 0 "[ . 1 . 2]" 1
1195 1 47 GLN HG2 1 56 ALA H . . 4.200 3.478 2.772 3.959 . 0 0 "[ . 1 . 2]" 1
1196 1 47 GLN HG3 1 48 PRO HD2 . . 4.430 2.870 2.736 2.994 . 0 0 "[ . 1 . 2]" 1
1197 1 47 GLN HG3 1 56 ALA H . . 5.110 4.825 4.366 5.109 . 0 0 "[ . 1 . 2]" 1
1198 1 48 PRO HA 1 49 ALA H . . 2.770 2.343 2.269 2.405 . 0 0 "[ . 1 . 2]" 1
1199 1 48 PRO HA 1 49 ALA HA . . 4.350 4.308 4.305 4.313 . 0 0 "[ . 1 . 2]" 1
1200 1 48 PRO HA 1 49 ALA MB . . 4.280 4.147 4.097 4.189 . 0 0 "[ . 1 . 2]" 1
1201 1 48 PRO HA 1 55 ALA HA . . 4.040 2.707 2.496 3.296 . 0 0 "[ . 1 . 2]" 1
1202 1 48 PRO HA 1 55 ALA MB . . 3.440 2.702 1.930 3.006 . 0 0 "[ . 1 . 2]" 1
1203 1 48 PRO HB2 1 49 ALA H . . 3.720 2.768 2.604 2.980 . 0 0 "[ . 1 . 2]" 1
1204 1 48 PRO HB2 1 49 ALA MB . . 4.710 3.875 3.758 4.010 . 0 0 "[ . 1 . 2]" 1
1205 1 48 PRO HB2 1 55 ALA MB . . 4.620 4.430 3.765 4.631 0.011 14 0 "[ . 1 . 2]" 1
1206 1 48 PRO HB3 1 49 ALA H . . 3.660 3.536 3.449 3.654 . 0 0 "[ . 1 . 2]" 1
1207 1 48 PRO HB3 1 49 ALA MB . . 5.060 4.917 4.846 5.016 . 0 0 "[ . 1 . 2]" 1
1208 1 48 PRO HB3 1 55 ALA MB . . 4.600 4.352 3.740 4.528 . 0 0 "[ . 1 . 2]" 1
1209 1 48 PRO HG2 1 49 ALA H . . 4.950 4.534 4.416 4.677 . 0 0 "[ . 1 . 2]" 1
1210 1 49 ALA H 1 49 ALA MB . . 2.810 2.142 2.024 2.260 . 0 0 "[ . 1 . 2]" 1
1211 1 49 ALA H 1 50 SER H . . 5.050 4.486 4.331 4.581 . 0 0 "[ . 1 . 2]" 1
1212 1 49 ALA H 1 55 ALA HA . . 3.830 2.921 2.641 3.388 . 0 0 "[ . 1 . 2]" 1
1213 1 49 ALA H 1 55 ALA MB . . 3.040 2.361 1.898 2.725 . 0 0 "[ . 1 . 2]" 1
1214 1 49 ALA HA 1 50 SER H . . 2.860 2.155 2.141 2.189 . 0 0 "[ . 1 . 2]" 1
1215 1 49 ALA HA 1 54 PRO HA . . 3.980 2.235 2.003 3.143 . 0 0 "[ . 1 . 2]" 1
1216 1 49 ALA HA 1 55 ALA H . . 3.860 2.492 2.144 3.393 . 0 0 "[ . 1 . 2]" 1
1217 1 49 ALA HA 1 55 ALA HA . . 3.600 3.100 2.783 3.265 . 0 0 "[ . 1 . 2]" 1
1218 1 49 ALA HA 1 55 ALA MB . . 4.190 3.368 2.805 3.590 . 0 0 "[ . 1 . 2]" 1
1219 1 49 ALA MB 1 50 SER H . . 3.450 3.200 2.928 3.433 . 0 0 "[ . 1 . 2]" 1
1220 1 49 ALA MB 1 50 SER HA . . 4.950 4.022 3.844 4.336 . 0 0 "[ . 1 . 2]" 1
1221 1 49 ALA MB 1 54 PRO HA . . 3.440 2.888 2.330 3.189 . 0 0 "[ . 1 . 2]" 1
1222 1 49 ALA MB 1 54 PRO HB2 . . 4.720 4.150 3.535 4.689 . 0 0 "[ . 1 . 2]" 1
1223 1 49 ALA MB 1 54 PRO HB3 . . 4.740 4.050 3.525 4.740 0.000 13 0 "[ . 1 . 2]" 1
1224 1 49 ALA MB 1 55 ALA H . . 3.250 2.697 2.017 3.253 0.003 19 0 "[ . 1 . 2]" 1
1225 1 49 ALA MB 1 55 ALA HA . . 3.970 3.834 3.561 3.972 0.002 11 0 "[ . 1 . 2]" 1
1226 1 50 SER H 1 50 SER QB . . 3.610 2.706 2.338 3.131 . 0 0 "[ . 1 . 2]" 1
1227 1 50 SER H 1 53 SER H . . 3.900 3.730 3.514 3.902 0.002 18 0 "[ . 1 . 2]" 1
1228 1 50 SER H 1 53 SER QB . . 5.340 4.706 2.986 5.276 . 0 0 "[ . 1 . 2]" 1
1229 1 50 SER H 1 55 ALA H . . 5.410 4.290 3.933 5.228 . 0 0 "[ . 1 . 2]" 1
1230 1 50 SER H 1 55 ALA HA . . 5.120 4.722 4.027 5.046 . 0 0 "[ . 1 . 2]" 1
1231 1 51 ASP QB 1 52 HIS HB2 . . 4.900 4.557 4.280 4.900 . 0 0 "[ . 1 . 2]" 1
1232 1 51 ASP QB 1 52 HIS HD2 . . 4.470 3.330 2.150 4.419 . 0 0 "[ . 1 . 2]" 1
1233 1 52 HIS H 1 53 SER H . . 4.080 2.810 2.630 3.096 . 0 0 "[ . 1 . 2]" 1
1234 1 52 HIS HB2 1 52 HIS HD2 . . 3.730 3.077 2.692 3.659 . 0 0 "[ . 1 . 2]" 1
1235 1 52 HIS HB2 1 53 SER H . . 4.410 2.668 2.191 4.413 0.003 13 0 "[ . 1 . 2]" 1
1236 1 52 HIS HB2 1 53 SER QB . . 4.640 4.069 3.606 4.617 . 0 0 "[ . 1 . 2]" 1
1237 1 53 SER H 1 53 SER QB . . 3.430 2.896 2.643 3.225 . 0 0 "[ . 1 . 2]" 1
1238 1 53 SER HA 1 54 PRO QD . . 2.800 2.031 1.994 2.081 . 0 0 "[ . 1 . 2]" 1
1239 1 53 SER HA 1 54 PRO HG2 . . 5.080 4.426 4.370 4.501 . 0 0 "[ . 1 . 2]" 1
1240 1 53 SER HA 1 54 PRO QG . . 4.360 3.937 3.896 3.993 . 0 0 "[ . 1 . 2]" 1
1241 1 53 SER HA 1 54 PRO HG3 . . 5.080 4.412 4.377 4.462 . 0 0 "[ . 1 . 2]" 1
1242 1 54 PRO HA 1 55 ALA H . . 3.170 2.529 2.457 2.693 . 0 0 "[ . 1 . 2]" 1
1243 1 54 PRO HA 1 55 ALA HA . . 4.980 4.321 4.307 4.400 . 0 0 "[ . 1 . 2]" 1
1244 1 54 PRO HA 1 55 ALA MB . . 4.370 4.217 3.928 4.290 . 0 0 "[ . 1 . 2]" 1
1245 1 54 PRO HB2 1 55 ALA H . . 3.430 2.311 1.960 2.477 . 0 0 "[ . 1 . 2]" 1
1246 1 54 PRO HB2 1 55 ALA MB . . 4.280 3.686 3.516 4.138 . 0 0 "[ . 1 . 2]" 1
1247 1 54 PRO HB3 1 55 ALA H . . 3.760 3.310 3.167 3.386 . 0 0 "[ . 1 . 2]" 1
1248 1 54 PRO HB3 1 55 ALA MB . . 5.040 4.816 4.742 5.031 . 0 0 "[ . 1 . 2]" 1
1249 1 54 PRO QD 1 55 ALA H . . 5.500 4.871 4.742 4.920 . 0 0 "[ . 1 . 2]" 1
1250 1 54 PRO QG 1 55 ALA H . . 4.250 3.945 3.653 4.072 . 0 0 "[ . 1 . 2]" 1
1251 1 54 PRO HG2 1 55 ALA H . . 4.990 4.174 3.844 4.317 . 0 0 "[ . 1 . 2]" 1
1252 1 54 PRO HG3 1 55 ALA H . . 4.990 4.857 4.563 4.988 . 0 0 "[ . 1 . 2]" 1
1253 1 55 ALA H 1 55 ALA MB . . 3.190 2.126 2.023 2.288 . 0 0 "[ . 1 . 2]" 1
1254 1 55 ALA HA 1 56 ALA H . . 2.850 2.152 2.142 2.238 . 0 0 "[ . 1 . 2]" 1
1255 1 55 ALA HA 1 56 ALA HA . . 5.370 4.395 4.371 4.460 . 0 0 "[ . 1 . 2]" 1
1256 1 55 ALA HA 1 56 ALA MB . . 4.330 3.990 3.844 4.126 . 0 0 "[ . 1 . 2]" 1
1257 1 56 ALA H 1 56 ALA MB . . 3.070 2.778 2.657 2.831 . 0 0 "[ . 1 . 2]" 1
1258 1 56 ALA H 1 57 GLU H . . 4.630 4.299 4.233 4.413 . 0 0 "[ . 1 . 2]" 1
1259 1 56 ALA HA 1 57 GLU H . . 2.840 2.270 2.216 2.394 . 0 0 "[ . 1 . 2]" 1
1260 1 56 ALA HA 1 57 GLU HA . . 4.870 4.364 4.358 4.381 . 0 0 "[ . 1 . 2]" 1
1261 1 56 ALA HA 1 57 GLU HB2 . . 5.040 4.348 4.140 4.728 . 0 0 "[ . 1 . 2]" 1
1262 1 56 ALA MB 1 57 GLU H . . 3.220 2.753 2.460 2.937 . 0 0 "[ . 1 . 2]" 1
1263 1 56 ALA MB 1 57 GLU HA . . 4.530 4.190 4.070 4.229 . 0 0 "[ . 1 . 2]" 1
1264 1 57 GLU H 1 57 GLU HB2 . . 3.920 2.708 2.467 3.173 . 0 0 "[ . 1 . 2]" 1
1265 1 57 GLU H 1 57 GLU HB3 . . 3.760 2.644 2.302 2.856 . 0 0 "[ . 1 . 2]" 1
1266 1 57 GLU H 1 57 GLU HG2 . . 4.800 4.528 4.435 4.623 . 0 0 "[ . 1 . 2]" 1
1267 1 57 GLU H 1 57 GLU HG3 . . 5.120 4.551 4.375 4.765 . 0 0 "[ . 1 . 2]" 1
1268 1 57 GLU H 1 58 GLY H . . 4.930 4.432 4.344 4.544 . 0 0 "[ . 1 . 2]" 1
1269 1 57 GLU HA 1 57 GLU HG3 . . 3.680 2.882 2.395 3.682 0.002 13 0 "[ . 1 . 2]" 1
1270 1 57 GLU HA 1 58 GLY H . . 2.880 2.156 2.142 2.210 . 0 0 "[ . 1 . 2]" 1
1271 1 57 GLU HA 1 58 GLY HA2 . . 4.850 4.405 4.390 4.451 . 0 0 "[ . 1 . 2]" 1
1272 1 57 GLU HB2 1 58 GLY H . . 4.490 4.309 3.951 4.492 0.002 19 0 "[ . 1 . 2]" 1
1273 1 57 GLU HB3 1 58 GLY H . . 4.760 4.129 3.713 4.325 . 0 0 "[ . 1 . 2]" 1
1274 1 57 GLU HG2 1 58 GLY H . . 4.130 2.896 2.321 3.228 . 0 0 "[ . 1 . 2]" 1
1275 1 57 GLU HG2 1 58 GLY HA3 . . 5.180 4.899 4.492 5.185 0.005 19 0 "[ . 1 . 2]" 1
1276 1 57 GLU HG3 1 58 GLY H . . 4.270 3.921 3.340 4.272 0.002 15 0 "[ . 1 . 2]" 1
1277 1 58 GLY H 1 60 VAL MG1 . . 4.930 4.701 4.489 4.924 . 0 0 "[ . 1 . 2]" 1
1278 1 58 GLY HA2 1 59 TRP H . . 3.430 2.301 2.212 2.406 . 0 0 "[ . 1 . 2]" 1
1279 1 58 GLY HA2 1 59 TRP HA . . 4.900 4.338 4.329 4.357 . 0 0 "[ . 1 . 2]" 1
1280 1 58 GLY HA2 1 59 TRP HD1 . . 4.080 3.233 3.023 3.395 . 0 0 "[ . 1 . 2]" 1
1281 1 58 GLY HA3 1 59 TRP H . . 3.430 2.870 2.731 3.007 . 0 0 "[ . 1 . 2]" 1
1282 1 58 GLY HA3 1 59 TRP HD1 . . 4.850 4.677 4.410 4.850 . 0 0 "[ . 1 . 2]" 1
1283 1 59 TRP H 1 59 TRP HB2 . . 3.740 2.420 2.358 2.483 . 0 0 "[ . 1 . 2]" 1
1284 1 59 TRP H 1 59 TRP HB3 . . 3.680 3.625 3.599 3.670 . 0 0 "[ . 1 . 2]" 1
1285 1 59 TRP H 1 59 TRP HD1 . . 3.290 2.423 2.189 2.573 . 0 0 "[ . 1 . 2]" 1
1286 1 59 TRP H 1 59 TRP HE1 . . 5.070 4.852 4.614 4.999 . 0 0 "[ . 1 . 2]" 1
1287 1 59 TRP H 1 60 VAL MG1 . . 5.060 4.053 3.834 4.182 . 0 0 "[ . 1 . 2]" 1
1288 1 59 TRP HA 1 59 TRP HD1 . . 4.600 3.863 3.808 3.912 . 0 0 "[ . 1 . 2]" 1
1289 1 59 TRP HA 1 59 TRP HE3 . . 4.020 3.603 3.518 3.721 . 0 0 "[ . 1 . 2]" 1
1290 1 59 TRP HA 1 60 VAL H . . 2.930 2.234 2.174 2.366 . 0 0 "[ . 1 . 2]" 1
1291 1 59 TRP HA 1 60 VAL HA . . 4.870 4.448 4.420 4.519 . 0 0 "[ . 1 . 2]" 1
1292 1 59 TRP HA 1 60 VAL MG1 . . 4.400 3.368 3.138 3.628 . 0 0 "[ . 1 . 2]" 1
1293 1 59 TRP HA 1 60 VAL MG2 . . 4.070 3.835 3.654 4.009 . 0 0 "[ . 1 . 2]" 1
1294 1 59 TRP HB2 1 59 TRP HD1 . . 3.500 2.785 2.753 2.829 . 0 0 "[ . 1 . 2]" 1
1295 1 59 TRP HB2 1 59 TRP HE3 . . 4.030 4.004 3.960 4.034 0.004 2 0 "[ . 1 . 2]" 1
1296 1 59 TRP HB2 1 60 VAL H . . 4.140 4.021 3.685 4.165 0.025 10 0 "[ . 1 . 2]" 1
1297 1 59 TRP HB3 1 59 TRP HE3 . . 3.960 2.455 2.429 2.477 . 0 0 "[ . 1 . 2]" 1
1298 1 59 TRP HB3 1 60 VAL H . . 4.260 2.920 2.528 3.152 . 0 0 "[ . 1 . 2]" 1
1299 1 59 TRP HB3 1 60 VAL MG1 . . 4.720 4.632 4.435 4.729 0.009 2 0 "[ . 1 . 2]" 1
1300 1 59 TRP HE3 1 60 VAL H . . 4.390 3.840 3.460 4.143 . 0 0 "[ . 1 . 2]" 1
1301 1 60 VAL H 1 60 VAL MG1 . . 4.030 2.877 2.670 3.109 . 0 0 "[ . 1 . 2]" 1
1302 1 60 VAL H 1 60 VAL MG2 . . 3.360 2.352 2.187 2.627 . 0 0 "[ . 1 . 2]" 1
1303 1 60 VAL HA 1 60 VAL MG1 . . 3.300 2.455 2.300 2.561 . 0 0 "[ . 1 . 2]" 1
1304 1 60 VAL HA 1 61 PRO HD2 . . 3.330 2.337 2.299 2.362 . 0 0 "[ . 1 . 2]" 1
1305 1 60 VAL HA 1 61 PRO HD3 . . 3.070 2.278 2.268 2.286 . 0 0 "[ . 1 . 2]" 1
1306 1 60 VAL HA 1 61 PRO HG3 . . 4.480 4.436 4.415 4.450 . 0 0 "[ . 1 . 2]" 1
1307 1 60 VAL HB 1 61 PRO HD2 . . 3.140 2.042 1.997 2.120 . 0 0 "[ . 1 . 2]" 1
1308 1 60 VAL HB 1 61 PRO HD3 . . 3.590 3.475 3.432 3.549 . 0 0 "[ . 1 . 2]" 1
1309 1 60 VAL HB 1 64 ILE MD . . 3.270 2.755 2.330 3.153 . 0 0 "[ . 1 . 2]" 1
1310 1 60 VAL HB 1 64 ILE HG13 . . 4.640 3.911 3.669 4.182 . 0 0 "[ . 1 . 2]" 1
1311 1 60 VAL MG1 1 61 PRO HD2 . . 3.940 3.334 3.205 3.525 . 0 0 "[ . 1 . 2]" 1
1312 1 60 VAL MG1 1 61 PRO HD3 . . 4.350 4.078 3.957 4.236 . 0 0 "[ . 1 . 2]" 1
1313 1 60 VAL MG2 1 61 PRO HD2 . . 4.160 3.438 3.257 3.581 . 0 0 "[ . 1 . 2]" 1
1314 1 60 VAL MG2 1 61 PRO HD3 . . 4.600 4.390 4.264 4.485 . 0 0 "[ . 1 . 2]" 1
1315 1 60 VAL MG2 1 62 GLY QA . . 4.690 3.645 3.400 3.975 . 0 0 "[ . 1 . 2]" 1
1316 1 60 VAL MG2 1 64 ILE H . . 5.230 4.915 4.484 5.232 0.002 3 0 "[ . 1 . 2]" 1
1317 1 60 VAL MG2 1 64 ILE HG12 . . 4.490 3.841 3.411 4.189 . 0 0 "[ . 1 . 2]" 1
1318 1 60 VAL MG2 1 64 ILE HG13 . . 4.170 3.657 3.163 4.106 . 0 0 "[ . 1 . 2]" 1
1319 1 60 VAL MG2 1 65 LEU HA . . 5.500 4.971 4.584 5.237 . 0 0 "[ . 1 . 2]" 1
1320 1 60 VAL MG2 1 65 LEU HG . . 3.680 2.579 2.193 2.918 . 0 0 "[ . 1 . 2]" 1
1321 1 61 PRO HA 1 62 GLY H . . 3.050 2.174 2.159 2.194 . 0 0 "[ . 1 . 2]" 1
1322 1 61 PRO HA 1 62 GLY QA . . 4.100 3.928 3.900 3.947 . 0 0 "[ . 1 . 2]" 1
1323 1 61 PRO HB2 1 62 GLY H . . 4.180 3.721 3.292 3.908 . 0 0 "[ . 1 . 2]" 1
1324 1 61 PRO HB2 1 63 SER H . . 4.080 2.561 2.244 2.742 . 0 0 "[ . 1 . 2]" 1
1325 1 61 PRO HB2 1 63 SER HA . . 4.980 4.866 4.807 4.926 . 0 0 "[ . 1 . 2]" 1
1326 1 61 PRO HB2 1 64 ILE H . . 3.820 3.192 3.097 3.234 . 0 0 "[ . 1 . 2]" 1
1327 1 61 PRO HB2 1 64 ILE HG12 . . 4.320 3.692 3.566 3.802 . 0 0 "[ . 1 . 2]" 1
1328 1 61 PRO HB2 1 64 ILE HG13 . . 5.400 5.318 5.191 5.408 0.008 3 0 "[ . 1 . 2]" 1
1329 1 61 PRO HB2 1 64 ILE MG . . 3.840 3.426 3.235 3.581 . 0 0 "[ . 1 . 2]" 1
1330 1 61 PRO HB3 1 62 GLY H . . 4.380 4.136 3.845 4.269 . 0 0 "[ . 1 . 2]" 1
1331 1 61 PRO HB3 1 63 SER H . . 4.460 4.021 3.859 4.111 . 0 0 "[ . 1 . 2]" 1
1332 1 61 PRO HB3 1 64 ILE H . . 4.860 4.844 4.779 4.872 0.012 3 0 "[ . 1 . 2]" 1
1333 1 61 PRO HB3 1 64 ILE MG . . 4.800 4.578 4.403 4.677 . 0 0 "[ . 1 . 2]" 1
1334 1 61 PRO HD2 1 64 ILE MD . . 3.520 2.513 2.285 2.836 . 0 0 "[ . 1 . 2]" 1
1335 1 61 PRO HD2 1 64 ILE HG12 . . 4.040 3.072 2.917 3.197 . 0 0 "[ . 1 . 2]" 1
1336 1 61 PRO HD2 1 64 ILE HG13 . . 4.490 4.213 4.095 4.328 . 0 0 "[ . 1 . 2]" 1
1337 1 61 PRO HD3 1 64 ILE MD . . 4.260 3.926 3.739 4.140 . 0 0 "[ . 1 . 2]" 1
1338 1 61 PRO HD3 1 64 ILE HG12 . . 4.700 4.471 4.355 4.572 . 0 0 "[ . 1 . 2]" 1
1339 1 61 PRO HG2 1 64 ILE H . . 4.620 3.035 2.930 3.167 . 0 0 "[ . 1 . 2]" 1
1340 1 61 PRO HG2 1 64 ILE MD . . 3.550 2.656 2.410 2.938 . 0 0 "[ . 1 . 2]" 1
1341 1 61 PRO HG2 1 64 ILE HG12 . . 4.050 2.012 1.994 2.082 . 0 0 "[ . 1 . 2]" 1
1342 1 61 PRO HG2 1 64 ILE HG13 . . 4.900 3.744 3.702 3.803 . 0 0 "[ . 1 . 2]" 1
1343 1 61 PRO HG2 1 64 ILE MG . . 3.820 2.457 2.100 2.646 . 0 0 "[ . 1 . 2]" 1
1344 1 61 PRO HG3 1 64 ILE MD . . 4.260 3.582 3.336 3.882 . 0 0 "[ . 1 . 2]" 1
1345 1 61 PRO HG3 1 64 ILE HG12 . . 4.670 3.737 3.659 3.824 . 0 0 "[ . 1 . 2]" 1
1346 1 61 PRO HG3 1 64 ILE HG13 . . 5.500 5.434 5.366 5.491 . 0 0 "[ . 1 . 2]" 1
1347 1 61 PRO HG3 1 64 ILE MG . . 3.830 3.411 3.182 3.573 . 0 0 "[ . 1 . 2]" 1
1348 1 62 GLY H 1 63 SER H . . 4.010 2.832 2.722 2.897 . 0 0 "[ . 1 . 2]" 1
1349 1 62 GLY H 1 64 ILE H . . 5.130 4.732 4.600 4.852 . 0 0 "[ . 1 . 2]" 1
1350 1 62 GLY H 1 65 LEU MD1 . . 4.910 3.874 3.535 4.278 . 0 0 "[ . 1 . 2]" 1
1351 1 62 GLY QA 1 64 ILE H . . 4.330 3.918 3.760 4.105 . 0 0 "[ . 1 . 2]" 1
1352 1 62 GLY QA 1 65 LEU H . . 4.550 3.446 3.234 3.759 . 0 0 "[ . 1 . 2]" 1
1353 1 62 GLY QA 1 65 LEU HB2 . . 4.100 2.256 2.038 2.553 . 0 0 "[ . 1 . 2]" 1
1354 1 62 GLY QA 1 65 LEU HB3 . . 4.900 3.685 3.495 3.935 . 0 0 "[ . 1 . 2]" 1
1355 1 62 GLY QA 1 65 LEU MD1 . . 3.490 2.117 1.960 2.441 . 0 0 "[ . 1 . 2]" 1
1356 1 62 GLY QA 1 65 LEU HG . . 3.770 2.764 2.482 3.072 . 0 0 "[ . 1 . 2]" 1
1357 1 63 SER H 1 63 SER HB2 . . 4.160 2.692 2.227 3.590 . 0 0 "[ . 1 . 2]" 1
1358 1 63 SER H 1 63 SER QB . . 3.450 2.358 2.159 2.732 . 0 0 "[ . 1 . 2]" 1
1359 1 63 SER H 1 63 SER HB3 . . 4.160 2.990 2.364 3.594 . 0 0 "[ . 1 . 2]" 1
1360 1 63 SER H 1 64 ILE H . . 3.900 2.692 2.360 2.819 . 0 0 "[ . 1 . 2]" 1
1361 1 63 SER H 1 65 LEU H . . 5.070 4.005 3.718 4.335 . 0 0 "[ . 1 . 2]" 1
1362 1 63 SER HA 1 64 ILE MG . . 5.500 4.660 4.539 4.726 . 0 0 "[ . 1 . 2]" 1
1363 1 63 SER HA 1 65 LEU H . . 4.250 3.647 3.610 3.722 . 0 0 "[ . 1 . 2]" 1
1364 1 63 SER QB 1 64 ILE H . . 4.300 2.728 2.503 3.367 . 0 0 "[ . 1 . 2]" 1
1365 1 63 SER QB 1 64 ILE MG . . 4.720 2.912 2.626 3.596 . 0 0 "[ . 1 . 2]" 1
1366 1 63 SER HB2 1 64 ILE H . . 4.940 3.321 2.542 3.988 . 0 0 "[ . 1 . 2]" 1
1367 1 63 SER HB3 1 64 ILE H . . 4.940 3.248 2.548 3.993 . 0 0 "[ . 1 . 2]" 1
1368 1 64 ILE H 1 64 ILE HB . . 3.970 3.675 3.664 3.689 . 0 0 "[ . 1 . 2]" 1
1369 1 64 ILE H 1 64 ILE MD . . 4.190 3.830 3.768 3.862 . 0 0 "[ . 1 . 2]" 1
1370 1 64 ILE H 1 64 ILE HG12 . . 3.230 2.247 2.180 2.279 . 0 0 "[ . 1 . 2]" 1
1371 1 64 ILE H 1 64 ILE HG13 . . 3.700 3.096 3.001 3.189 . 0 0 "[ . 1 . 2]" 1
1372 1 64 ILE H 1 64 ILE MG . . 3.390 2.261 2.167 2.442 . 0 0 "[ . 1 . 2]" 1
1373 1 64 ILE H 1 65 LEU H . . 3.220 2.716 2.555 2.903 . 0 0 "[ . 1 . 2]" 1
1374 1 64 ILE H 1 65 LEU MD1 . . 5.160 4.836 4.600 5.099 . 0 0 "[ . 1 . 2]" 1
1375 1 64 ILE H 1 65 LEU HG . . 4.790 3.730 3.541 3.887 . 0 0 "[ . 1 . 2]" 1
1376 1 64 ILE HA 1 64 ILE MD . . 4.770 4.134 4.122 4.151 . 0 0 "[ . 1 . 2]" 1
1377 1 64 ILE HA 1 64 ILE MG . . 3.060 2.420 2.330 2.487 . 0 0 "[ . 1 . 2]" 1
1378 1 64 ILE HB 1 64 ILE MD . . 3.180 2.272 2.214 2.352 . 0 0 "[ . 1 . 2]" 1
1379 1 64 ILE HB 1 65 LEU H . . 4.840 4.471 4.426 4.491 . 0 0 "[ . 1 . 2]" 1
1380 1 64 ILE HB 1 65 LEU MD2 . . 4.570 4.410 4.159 4.506 . 0 0 "[ . 1 . 2]" 1
1381 1 64 ILE HB 1 65 LEU HG . . 5.500 5.031 4.713 5.214 . 0 0 "[ . 1 . 2]" 1
1382 1 64 ILE MD 1 65 LEU HA . . 5.110 4.957 4.807 5.100 . 0 0 "[ . 1 . 2]" 1
1383 1 64 ILE HG12 1 64 ILE MG . . 3.280 2.289 2.126 2.358 . 0 0 "[ . 1 . 2]" 1
1384 1 64 ILE HG12 1 65 LEU H . . 4.660 4.061 3.775 4.371 . 0 0 "[ . 1 . 2]" 1
1385 1 64 ILE HG12 1 65 LEU MD2 . . 4.880 3.956 3.751 4.290 . 0 0 "[ . 1 . 2]" 1
1386 1 64 ILE HG13 1 64 ILE MG . . 3.550 3.189 3.166 3.198 . 0 0 "[ . 1 . 2]" 1
1387 1 64 ILE HG13 1 65 LEU H . . 3.940 3.626 3.455 3.829 . 0 0 "[ . 1 . 2]" 1
1388 1 64 ILE HG13 1 65 LEU HA . . 4.970 3.731 3.593 3.935 . 0 0 "[ . 1 . 2]" 1
1389 1 64 ILE HG13 1 65 LEU HB2 . . 4.700 4.615 4.470 4.702 0.002 13 0 "[ . 1 . 2]" 1
1390 1 64 ILE HG13 1 65 LEU MD2 . . 3.550 2.611 2.298 2.890 . 0 0 "[ . 1 . 2]" 1
1391 1 64 ILE HG13 1 65 LEU HG . . 3.780 2.707 2.367 2.907 . 0 0 "[ . 1 . 2]" 1
1392 1 64 ILE MG 1 65 LEU H . . 4.650 4.214 4.141 4.279 . 0 0 "[ . 1 . 2]" 1
1393 1 65 LEU H 1 65 LEU HB2 . . 3.370 2.531 2.431 2.686 . 0 0 "[ . 1 . 2]" 1
1394 1 65 LEU H 1 65 LEU HB3 . . 4.100 3.714 3.654 3.806 . 0 0 "[ . 1 . 2]" 1
1395 1 65 LEU H 1 65 LEU MD1 . . 4.220 4.142 4.084 4.211 . 0 0 "[ . 1 . 2]" 1
1396 1 65 LEU H 1 65 LEU MD2 . . 4.110 3.786 3.637 3.989 . 0 0 "[ . 1 . 2]" 1
1397 1 65 LEU H 1 65 LEU HG . . 3.430 3.097 2.992 3.214 . 0 0 "[ . 1 . 2]" 1
1398 1 65 LEU H 1 66 ALA H . . 4.840 4.467 4.392 4.523 . 0 0 "[ . 1 . 2]" 1
1399 1 65 LEU HA 1 65 LEU MD1 . . 3.940 3.827 3.782 3.874 . 0 0 "[ . 1 . 2]" 1
1400 1 65 LEU HA 1 65 LEU MD2 . . 3.070 2.062 1.955 2.198 . 0 0 "[ . 1 . 2]" 1
1401 1 65 LEU HA 1 65 LEU HG . . 4.000 3.121 3.023 3.176 . 0 0 "[ . 1 . 2]" 1
1402 1 65 LEU HA 1 66 ALA H . . 2.970 2.235 2.205 2.301 . 0 0 "[ . 1 . 2]" 1
1403 1 65 LEU HA 1 66 ALA MB . . 4.230 3.880 3.814 3.912 . 0 0 "[ . 1 . 2]" 1
1404 1 65 LEU HB2 1 65 LEU MD1 . . 3.110 2.367 2.220 2.451 . 0 0 "[ . 1 . 2]" 1
1405 1 65 LEU HB2 1 65 LEU MD2 . . 3.520 3.188 3.179 3.195 . 0 0 "[ . 1 . 2]" 1
1406 1 65 LEU HB2 1 66 ALA H . . 4.320 4.006 3.821 4.087 . 0 0 "[ . 1 . 2]" 1
1407 1 65 LEU HB3 1 65 LEU MD1 . . 3.200 2.301 2.196 2.452 . 0 0 "[ . 1 . 2]" 1
1408 1 65 LEU HB3 1 65 LEU MD2 . . 3.590 2.352 2.252 2.419 . 0 0 "[ . 1 . 2]" 1
1409 1 65 LEU HB3 1 66 ALA H . . 3.800 2.880 2.669 2.989 . 0 0 "[ . 1 . 2]" 1
1410 1 65 LEU MD1 1 66 ALA H . . 4.930 4.661 4.532 4.843 . 0 0 "[ . 1 . 2]" 1
1411 1 65 LEU MD2 1 66 ALA H . . 3.870 3.256 3.095 3.425 . 0 0 "[ . 1 . 2]" 1
1412 1 66 ALA H 1 66 ALA MB . . 3.230 2.596 2.495 2.679 . 0 0 "[ . 1 . 2]" 1
1413 1 66 ALA HA 1 67 PRO HD2 . . 3.120 2.387 2.356 2.445 . 0 0 "[ . 1 . 2]" 1
1414 1 66 ALA HA 1 67 PRO QD . . 2.690 2.082 2.065 2.116 . 0 0 "[ . 1 . 2]" 1
1415 1 66 ALA HA 1 67 PRO HD3 . . 3.120 2.294 2.283 2.317 . 0 0 "[ . 1 . 2]" 1
1416 1 66 ALA HA 1 67 PRO HG2 . . 4.800 4.502 4.476 4.550 . 0 0 "[ . 1 . 2]" 1
1417 1 66 ALA HA 1 67 PRO HG3 . . 4.570 4.464 4.446 4.499 . 0 0 "[ . 1 . 2]" 1
1418 1 66 ALA MB 1 67 PRO QB . . 5.340 4.515 4.433 4.539 . 0 0 "[ . 1 . 2]" 1
1419 1 66 ALA MB 1 67 PRO HD2 . . 3.280 2.007 1.970 2.190 . 0 0 "[ . 1 . 2]" 1
1420 1 66 ALA MB 1 67 PRO HD3 . . 3.280 3.247 3.190 3.281 0.001 18 0 "[ . 1 . 2]" 1
1421 1 66 ALA MB 1 67 PRO HG2 . . 5.010 3.713 3.597 3.821 . 0 0 "[ . 1 . 2]" 1
1422 1 66 ALA MB 1 67 PRO HG3 . . 4.580 4.423 4.356 4.484 . 0 0 "[ . 1 . 2]" 1
1423 1 67 PRO HA 1 68 PHE H . . 3.020 2.251 2.199 2.283 . 0 0 "[ . 1 . 2]" 1
1424 1 67 PRO QB 1 68 PHE H . . 3.790 3.748 3.656 3.793 0.003 7 0 "[ . 1 . 2]" 1
1425 1 67 PRO HB2 1 68 PHE H . . 4.430 4.067 3.955 4.121 . 0 0 "[ . 1 . 2]" 1
1426 1 67 PRO HB3 1 68 PHE H . . 4.430 4.391 4.303 4.434 0.004 7 0 "[ . 1 . 2]" 1
1427 1 67 PRO QD 1 68 PHE H . . 4.960 4.710 4.659 4.801 . 0 0 "[ . 1 . 2]" 1
1428 1 68 PHE H 1 68 PHE HB2 . . 3.640 2.506 2.404 2.578 . 0 0 "[ . 1 . 2]" 1
1429 1 68 PHE H 1 68 PHE HB3 . . 3.480 2.573 2.504 2.661 . 0 0 "[ . 1 . 2]" 1
1430 1 68 PHE H 1 68 PHE QD . . 4.960 4.168 4.122 4.190 . 0 0 "[ . 1 . 2]" 1
1431 1 68 PHE HA 1 68 PHE QD . . 3.790 2.199 2.004 2.563 . 0 0 "[ . 1 . 2]" 1
1432 1 68 PHE HA 1 68 PHE QE . . 4.680 4.374 4.274 4.543 . 0 0 "[ . 1 . 2]" 1
1433 1 68 PHE QE 1 70 GLY QA . . 4.240 3.378 2.165 4.238 . 0 0 "[ . 1 . 2]" 1
1434 1 68 PHE HZ 1 70 GLY QA . . 4.540 3.809 3.187 4.426 . 0 0 "[ . 1 . 2]" 1
1435 1 70 GLY QA 1 71 PRO QD . . 2.770 2.001 1.901 2.245 . 0 0 "[ . 1 . 2]" 1
1436 1 70 GLY QA 1 71 PRO QG . . 4.420 3.744 3.657 4.032 . 0 0 "[ . 1 . 2]" 1
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