NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567324 |
2mcq   |
19449 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mcq
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 1264
_Distance_constraint_stats_list.Viol_count 543
_Distance_constraint_stats_list.Viol_total 88.424
_Distance_constraint_stats_list.Viol_max 0.233
_Distance_constraint_stats_list.Viol_rms 0.0064
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0163
_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 1 MET 0.000 0.000 . 0 "[ . 1]"
1 2 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 ILE 0.002 0.001 6 0 "[ . 1]"
1 4 SER 0.041 0.008 1 0 "[ . 1]"
1 5 ALA 0.016 0.005 6 0 "[ . 1]"
1 6 GLU 0.011 0.011 6 0 "[ . 1]"
1 7 GLU 0.043 0.008 1 0 "[ . 1]"
1 8 LEU 0.095 0.023 1 0 "[ . 1]"
1 9 GLU 0.113 0.039 1 0 "[ . 1]"
1 10 LYS 0.246 0.125 1 0 "[ . 1]"
1 11 ILE 0.248 0.051 4 0 "[ . 1]"
1 12 LEU 0.234 0.021 6 0 "[ . 1]"
1 13 LYS 0.370 0.125 1 0 "[ . 1]"
1 14 LYS 0.404 0.068 10 0 "[ . 1]"
1 15 SER 0.074 0.021 6 0 "[ . 1]"
1 16 PHE 0.128 0.083 1 0 "[ . 1]"
1 17 PRO 1.200 0.187 5 0 "[ . 1]"
1 18 SER 1.092 0.187 5 0 "[ . 1]"
1 19 SER 0.204 0.039 6 0 "[ . 1]"
1 20 VAL 0.257 0.038 3 0 "[ . 1]"
1 21 ILE 0.380 0.039 1 0 "[ . 1]"
1 22 LYS 0.045 0.011 1 0 "[ . 1]"
1 23 ILE 0.009 0.004 8 0 "[ . 1]"
1 24 THR 0.028 0.012 5 0 "[ . 1]"
1 25 ASP 0.000 0.000 . 0 "[ . 1]"
1 26 LEU 0.178 0.093 7 0 "[ . 1]"
1 27 VAL 0.210 0.056 2 0 "[ . 1]"
1 28 GLY 0.018 0.018 7 0 "[ . 1]"
1 29 ASP 0.109 0.056 2 0 "[ . 1]"
1 30 GLN 0.047 0.018 5 0 "[ . 1]"
1 31 ASP 0.020 0.018 5 0 "[ . 1]"
1 32 HIS 0.000 0.000 . 0 "[ . 1]"
1 33 TYR 0.083 0.017 5 0 "[ . 1]"
1 34 ALA 0.052 0.013 8 0 "[ . 1]"
1 35 LEU 0.210 0.038 7 0 "[ . 1]"
1 36 GLU 0.213 0.038 7 0 "[ . 1]"
1 37 ILE 0.073 0.011 5 0 "[ . 1]"
1 38 SER 0.087 0.023 8 0 "[ . 1]"
1 39 ASP 0.153 0.034 5 0 "[ . 1]"
1 40 ALA 0.079 0.023 1 0 "[ . 1]"
1 41 GLN 0.315 0.028 1 0 "[ . 1]"
1 42 PHE 0.081 0.029 10 0 "[ . 1]"
1 43 ASN 0.036 0.011 4 0 "[ . 1]"
1 44 GLY 0.016 0.011 4 0 "[ . 1]"
1 45 LEU 0.255 0.132 6 0 "[ . 1]"
1 46 SER 0.033 0.007 6 0 "[ . 1]"
1 47 LEU 0.027 0.008 6 0 "[ . 1]"
1 48 ILE 0.168 0.038 3 0 "[ . 1]"
1 49 ASN 0.242 0.081 7 0 "[ . 1]"
1 50 GLN 0.270 0.035 8 0 "[ . 1]"
1 51 HIS 0.407 0.030 4 0 "[ . 1]"
1 52 LYS 0.463 0.081 7 0 "[ . 1]"
1 53 LEU 0.310 0.039 3 0 "[ . 1]"
1 54 VAL 0.463 0.047 10 0 "[ . 1]"
1 55 LYS 0.061 0.011 8 0 "[ . 1]"
1 56 ASN 1.289 0.106 4 0 "[ . 1]"
1 57 ALA 0.758 0.106 4 0 "[ . 1]"
1 58 LEU 0.056 0.026 6 0 "[ . 1]"
1 59 SER 0.111 0.041 9 0 "[ . 1]"
1 60 GLU 0.149 0.027 10 0 "[ . 1]"
1 61 ILE 1.208 0.118 8 0 "[ . 1]"
1 62 LEU 0.641 0.233 9 0 "[ . 1]"
1 63 ASN 0.299 0.051 4 0 "[ . 1]"
1 64 LYS 0.048 0.010 1 0 "[ . 1]"
1 65 LYS 0.034 0.008 3 0 "[ . 1]"
1 66 LEU 0.001 0.001 2 0 "[ . 1]"
1 67 HIS 0.001 0.001 2 0 "[ . 1]"
1 68 SER 0.011 0.005 4 0 "[ . 1]"
1 69 ILE 0.057 0.015 8 0 "[ . 1]"
1 70 SER 0.026 0.011 4 0 "[ . 1]"
1 71 ILE 0.223 0.023 5 0 "[ . 1]"
1 72 LYS 0.116 0.014 3 0 "[ . 1]"
1 73 THR 0.408 0.035 8 0 "[ . 1]"
1 74 ILE 0.202 0.033 8 0 "[ . 1]"
1 75 SER 0.070 0.033 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QG . . 3.590 2.659 2.302 3.321 . 0 0 "[ . 1]" 1
2 1 1 MET HA 1 2 ALA H . . 3.270 2.403 2.141 2.800 . 0 0 "[ . 1]" 1
3 1 1 MET QB 1 2 ALA H . . 4.010 3.358 2.299 4.003 . 0 0 "[ . 1]" 1
4 1 1 MET QG 1 2 ALA H . . 4.700 3.867 2.556 4.666 . 0 0 "[ . 1]" 1
5 1 2 ALA H 1 2 ALA MB . . 3.180 2.355 2.038 2.829 . 0 0 "[ . 1]" 1
6 1 2 ALA MB 1 3 ILE H . . 3.800 2.829 2.097 3.719 . 0 0 "[ . 1]" 1
7 1 3 ILE H 1 3 ILE HB . . 4.000 2.885 2.448 3.351 . 0 0 "[ . 1]" 1
8 1 3 ILE H 1 3 ILE HG13 . . 4.970 4.498 4.350 4.633 . 0 0 "[ . 1]" 1
9 1 3 ILE H 1 3 ILE MG . . 3.640 2.143 1.993 2.420 . 0 0 "[ . 1]" 1
10 1 3 ILE HA 1 3 ILE MD . . 3.520 3.429 3.340 3.502 . 0 0 "[ . 1]" 1
11 1 3 ILE HA 1 3 ILE HG12 . . 3.420 3.363 3.306 3.420 . 0 0 "[ . 1]" 1
12 1 3 ILE HA 1 3 ILE HG13 . . 2.880 2.240 2.234 2.246 . 0 0 "[ . 1]" 1
13 1 3 ILE HA 1 3 ILE MG . . 3.650 3.188 3.184 3.200 . 0 0 "[ . 1]" 1
14 1 3 ILE HA 1 4 SER H . . 2.570 2.284 2.278 2.292 . 0 0 "[ . 1]" 1
15 1 3 ILE HA 1 7 GLU HB3 . . 5.500 5.315 5.246 5.393 . 0 0 "[ . 1]" 1
16 1 3 ILE HB 1 3 ILE MD . . 3.000 2.184 2.138 2.253 . 0 0 "[ . 1]" 1
17 1 3 ILE HB 1 4 SER H . . 4.190 3.985 3.978 3.993 . 0 0 "[ . 1]" 1
18 1 3 ILE MD 1 4 SER H . . 3.750 3.710 3.679 3.738 . 0 0 "[ . 1]" 1
19 1 3 ILE MD 1 7 GLU H . . 5.500 4.889 4.801 4.972 . 0 0 "[ . 1]" 1
20 1 3 ILE MD 1 7 GLU QG . . 3.840 1.941 1.904 1.982 . 0 0 "[ . 1]" 1
21 1 3 ILE HG12 1 3 ILE MG . . 2.620 2.028 1.968 2.155 . 0 0 "[ . 1]" 1
22 1 3 ILE HG12 1 4 SER H . . 3.680 2.745 2.623 2.864 . 0 0 "[ . 1]" 1
23 1 3 ILE HG12 1 7 GLU H . . 4.110 3.862 3.799 3.909 . 0 0 "[ . 1]" 1
24 1 3 ILE HG12 1 7 GLU QG . . 4.170 2.812 2.538 3.011 . 0 0 "[ . 1]" 1
25 1 3 ILE HG13 1 4 SER H . . 3.570 2.015 1.949 2.084 . 0 0 "[ . 1]" 1
26 1 3 ILE MG 1 4 SER H . . 3.770 3.560 3.506 3.595 . 0 0 "[ . 1]" 1
27 1 3 ILE MG 1 7 GLU H . . 5.120 4.161 4.055 4.330 . 0 0 "[ . 1]" 1
28 1 3 ILE MG 1 7 GLU HB2 . . 3.870 3.823 3.673 3.871 0.001 6 0 "[ . 1]" 1
29 1 3 ILE MG 1 7 GLU HB3 . . 2.950 2.556 2.422 2.671 . 0 0 "[ . 1]" 1
30 1 3 ILE MG 1 7 GLU QG . . 4.370 3.536 2.962 3.814 . 0 0 "[ . 1]" 1
31 1 3 ILE MG 1 8 LEU H . . 4.940 3.911 3.586 4.570 . 0 0 "[ . 1]" 1
32 1 4 SER H 1 4 SER HB2 . . 3.240 2.423 2.334 2.529 . 0 0 "[ . 1]" 1
33 1 4 SER H 1 4 SER HB3 . . 3.890 3.584 3.565 3.594 . 0 0 "[ . 1]" 1
34 1 4 SER H 1 7 GLU H . . 4.690 4.661 4.608 4.690 0.000 3 0 "[ . 1]" 1
35 1 4 SER H 1 7 GLU HB2 . . 4.110 4.045 3.857 4.116 0.006 3 0 "[ . 1]" 1
36 1 4 SER H 1 7 GLU HB3 . . 4.350 4.304 4.189 4.358 0.008 1 0 "[ . 1]" 1
37 1 4 SER HA 1 5 ALA H . . 3.070 2.214 2.179 2.286 . 0 0 "[ . 1]" 1
38 1 4 SER HA 1 5 ALA MB . . 4.220 3.993 3.956 4.037 . 0 0 "[ . 1]" 1
39 1 4 SER HA 1 6 GLU H . . 4.230 3.881 3.834 3.963 . 0 0 "[ . 1]" 1
40 1 4 SER HA 1 7 GLU H . . 5.290 4.654 4.611 4.742 . 0 0 "[ . 1]" 1
41 1 4 SER HB2 1 5 ALA H . . 4.220 4.107 3.902 4.207 . 0 0 "[ . 1]" 1
42 1 4 SER HB2 1 6 GLU H . . 4.460 3.599 3.406 3.744 . 0 0 "[ . 1]" 1
43 1 4 SER HB2 1 6 GLU QG . . 3.300 2.439 2.346 2.519 . 0 0 "[ . 1]" 1
44 1 4 SER HB2 1 7 GLU HB3 . . 4.630 4.146 3.969 4.359 . 0 0 "[ . 1]" 1
45 1 4 SER HB3 1 5 ALA H . . 3.330 2.990 2.734 3.136 . 0 0 "[ . 1]" 1
46 1 4 SER HB3 1 5 ALA MB . . 4.330 4.311 4.191 4.335 0.005 6 0 "[ . 1]" 1
47 1 4 SER HB3 1 6 GLU H . . 3.570 2.510 2.408 2.655 . 0 0 "[ . 1]" 1
48 1 4 SER HB3 1 6 GLU QG . . 4.110 2.094 1.986 2.363 . 0 0 "[ . 1]" 1
49 1 4 SER HB3 1 7 GLU H . . 4.480 3.556 3.448 3.671 . 0 0 "[ . 1]" 1
50 1 4 SER HB3 1 7 GLU HB3 . . 5.500 5.258 5.096 5.501 0.001 1 0 "[ . 1]" 1
51 1 5 ALA H 1 5 ALA MB . . 2.900 2.101 2.024 2.216 . 0 0 "[ . 1]" 1
52 1 5 ALA H 1 6 GLU H . . 3.510 2.657 2.545 2.731 . 0 0 "[ . 1]" 1
53 1 5 ALA H 1 6 GLU HB3 . . 5.200 4.882 4.780 4.959 . 0 0 "[ . 1]" 1
54 1 5 ALA H 1 6 GLU QG . . 4.510 4.177 3.912 4.370 . 0 0 "[ . 1]" 1
55 1 5 ALA H 1 7 GLU H . . 5.110 4.206 4.126 4.247 . 0 0 "[ . 1]" 1
56 1 5 ALA H 1 8 LEU H . . 5.500 5.132 4.971 5.404 . 0 0 "[ . 1]" 1
57 1 5 ALA H 1 23 ILE MD . . 5.110 4.773 4.288 5.096 . 0 0 "[ . 1]" 1
58 1 5 ALA HA 1 6 GLU HA . . 5.090 4.800 4.770 4.832 . 0 0 "[ . 1]" 1
59 1 5 ALA HA 1 7 GLU H . . 4.770 3.743 3.610 3.824 . 0 0 "[ . 1]" 1
60 1 5 ALA HA 1 8 LEU H . . 4.140 3.218 3.096 3.464 . 0 0 "[ . 1]" 1
61 1 5 ALA HA 1 8 LEU HB3 . . 4.090 3.274 2.746 4.064 . 0 0 "[ . 1]" 1
62 1 5 ALA HA 1 8 LEU QD . . 4.920 3.600 3.274 4.101 . 0 0 "[ . 1]" 1
63 1 5 ALA HA 1 23 ILE MD . . 3.660 3.303 2.378 3.663 0.003 1 0 "[ . 1]" 1
64 1 5 ALA MB 1 6 GLU H . . 3.180 2.916 2.875 2.971 . 0 0 "[ . 1]" 1
65 1 5 ALA MB 1 6 GLU HA . . 5.330 3.832 3.763 3.885 . 0 0 "[ . 1]" 1
66 1 5 ALA MB 1 6 GLU QG . . 4.910 4.585 4.412 4.725 . 0 0 "[ . 1]" 1
67 1 5 ALA MB 1 7 GLU H . . 4.780 4.378 4.290 4.434 . 0 0 "[ . 1]" 1
68 1 5 ALA MB 1 8 LEU H . . 5.170 4.306 4.253 4.345 . 0 0 "[ . 1]" 1
69 1 5 ALA MB 1 23 ILE MD . . 3.320 2.074 1.825 2.382 . 0 0 "[ . 1]" 1
70 1 6 GLU H 1 6 GLU HB2 . . 3.720 3.588 3.577 3.599 . 0 0 "[ . 1]" 1
71 1 6 GLU H 1 6 GLU HB3 . . 3.080 2.476 2.396 2.596 . 0 0 "[ . 1]" 1
72 1 6 GLU H 1 6 GLU QG . . 3.480 2.248 2.036 2.367 . 0 0 "[ . 1]" 1
73 1 6 GLU H 1 7 GLU H . . 3.400 2.587 2.528 2.654 . 0 0 "[ . 1]" 1
74 1 6 GLU H 1 8 LEU H . . 5.290 4.081 3.993 4.247 . 0 0 "[ . 1]" 1
75 1 6 GLU H 1 23 ILE MD . . 4.760 4.275 4.022 4.692 . 0 0 "[ . 1]" 1
76 1 6 GLU HA 1 6 GLU HB2 . . 2.910 2.406 2.378 2.466 . 0 0 "[ . 1]" 1
77 1 6 GLU HA 1 6 GLU HB3 . . 2.970 2.491 2.428 2.524 . 0 0 "[ . 1]" 1
78 1 6 GLU HA 1 6 GLU QG . . 3.520 3.333 3.327 3.339 . 0 0 "[ . 1]" 1
79 1 6 GLU HA 1 8 LEU H . . 4.560 4.050 3.746 4.224 . 0 0 "[ . 1]" 1
80 1 6 GLU HA 1 9 GLU H . . 4.320 3.974 3.477 4.282 . 0 0 "[ . 1]" 1
81 1 6 GLU HA 1 21 ILE MG . . 5.500 5.422 5.186 5.511 0.011 6 0 "[ . 1]" 1
82 1 6 GLU HA 1 23 ILE MD . . 4.870 3.592 3.027 4.859 . 0 0 "[ . 1]" 1
83 1 6 GLU HB2 1 7 GLU H . . 4.300 4.086 3.968 4.169 . 0 0 "[ . 1]" 1
84 1 6 GLU HB3 1 7 GLU H . . 4.800 4.060 3.998 4.160 . 0 0 "[ . 1]" 1
85 1 6 GLU QG 1 7 GLU H . . 2.580 2.402 2.278 2.507 . 0 0 "[ . 1]" 1
86 1 6 GLU QG 1 8 LEU H . . 5.330 4.423 4.330 4.559 . 0 0 "[ . 1]" 1
87 1 7 GLU H 1 7 GLU HB2 . . 3.120 2.476 2.349 2.629 . 0 0 "[ . 1]" 1
88 1 7 GLU H 1 7 GLU HB3 . . 2.980 2.690 2.501 2.889 . 0 0 "[ . 1]" 1
89 1 7 GLU H 1 7 GLU QG . . 4.550 4.062 4.013 4.113 . 0 0 "[ . 1]" 1
90 1 7 GLU H 1 8 LEU H . . 3.200 2.357 2.251 2.511 . 0 0 "[ . 1]" 1
91 1 7 GLU H 1 8 LEU HB3 . . 5.230 4.464 4.313 4.681 . 0 0 "[ . 1]" 1
92 1 7 GLU H 1 23 ILE MD . . 5.500 4.908 4.751 5.026 . 0 0 "[ . 1]" 1
93 1 7 GLU HA 1 8 LEU H . . 3.550 3.452 3.422 3.492 . 0 0 "[ . 1]" 1
94 1 7 GLU HB2 1 8 LEU H . . 4.160 3.930 3.779 4.142 . 0 0 "[ . 1]" 1
95 1 7 GLU HB3 1 8 LEU H . . 3.640 3.029 2.839 3.129 . 0 0 "[ . 1]" 1
96 1 7 GLU QG 1 8 LEU H . . 4.540 4.264 3.852 4.495 . 0 0 "[ . 1]" 1
97 1 7 GLU QG 1 11 ILE MD . . 3.270 3.133 2.747 3.276 0.006 3 0 "[ . 1]" 1
98 1 8 LEU H 1 8 LEU HB2 . . 2.810 2.661 2.560 2.768 . 0 0 "[ . 1]" 1
99 1 8 LEU H 1 8 LEU HB3 . . 2.760 2.368 2.287 2.453 . 0 0 "[ . 1]" 1
100 1 8 LEU H 1 8 LEU MD1 . . 5.050 4.125 4.025 4.201 . 0 0 "[ . 1]" 1
101 1 8 LEU H 1 8 LEU QD . . 4.060 3.706 3.656 3.735 . 0 0 "[ . 1]" 1
102 1 8 LEU H 1 8 LEU MD2 . . 5.050 4.197 4.176 4.214 . 0 0 "[ . 1]" 1
103 1 8 LEU H 1 10 LYS H . . 5.500 4.163 3.921 4.398 . 0 0 "[ . 1]" 1
104 1 8 LEU H 1 11 ILE MD . . 5.060 3.969 3.773 4.159 . 0 0 "[ . 1]" 1
105 1 8 LEU H 1 23 ILE MD . . 4.780 3.982 3.806 4.280 . 0 0 "[ . 1]" 1
106 1 8 LEU HA 1 8 LEU MD1 . . 4.430 2.120 1.994 2.349 . 0 0 "[ . 1]" 1
107 1 8 LEU HA 1 8 LEU QD . . 3.470 2.111 1.988 2.332 . 0 0 "[ . 1]" 1
108 1 8 LEU HA 1 8 LEU MD2 . . 4.430 3.902 3.843 3.950 . 0 0 "[ . 1]" 1
109 1 8 LEU HA 1 8 LEU HG . . 3.790 3.334 3.207 3.425 . 0 0 "[ . 1]" 1
110 1 8 LEU HA 1 11 ILE H . . 4.000 3.818 3.616 3.921 . 0 0 "[ . 1]" 1
111 1 8 LEU HA 1 11 ILE HB . . 4.260 3.881 3.509 4.209 . 0 0 "[ . 1]" 1
112 1 8 LEU HA 1 11 ILE MD . . 3.340 2.041 1.898 2.220 . 0 0 "[ . 1]" 1
113 1 8 LEU HA 1 11 ILE QG . . 4.600 4.020 3.123 4.368 . 0 0 "[ . 1]" 1
114 1 8 LEU HA 1 12 LEU H . . 5.500 5.116 4.794 5.366 . 0 0 "[ . 1]" 1
115 1 8 LEU HB3 1 8 LEU QD . . 3.120 2.313 2.243 2.371 . 0 0 "[ . 1]" 1
116 1 8 LEU HB3 1 9 GLU H . . 3.060 2.806 2.523 2.984 . 0 0 "[ . 1]" 1
117 1 8 LEU QD 1 9 GLU H . . 4.400 3.913 3.708 4.066 . 0 0 "[ . 1]" 1
118 1 8 LEU QD 1 9 GLU HA . . 4.450 4.023 3.768 4.188 . 0 0 "[ . 1]" 1
119 1 8 LEU QD 1 9 GLU HB3 . . 5.350 4.706 4.576 4.888 . 0 0 "[ . 1]" 1
120 1 8 LEU QD 1 11 ILE HB . . 4.490 3.303 2.935 3.636 . 0 0 "[ . 1]" 1
121 1 8 LEU QD 1 12 LEU HB2 . . 5.130 4.651 4.392 5.060 . 0 0 "[ . 1]" 1
122 1 8 LEU QD 1 12 LEU HG . . 3.850 3.579 3.204 3.846 . 0 0 "[ . 1]" 1
123 1 8 LEU QD 1 22 LYS HA . . 5.440 5.260 4.831 5.451 0.011 1 0 "[ . 1]" 1
124 1 8 LEU QD 1 23 ILE H . . 5.440 4.793 4.452 5.020 . 0 0 "[ . 1]" 1
125 1 8 LEU QD 1 24 THR H . . 5.440 5.077 4.622 5.434 . 0 0 "[ . 1]" 1
126 1 8 LEU QD 1 33 TYR HB2 . . 4.660 4.060 3.663 4.606 . 0 0 "[ . 1]" 1
127 1 8 LEU QD 1 33 TYR HB3 . . 4.770 3.561 3.165 3.885 . 0 0 "[ . 1]" 1
128 1 8 LEU QD 1 35 LEU H . . 5.440 4.673 4.430 4.900 . 0 0 "[ . 1]" 1
129 1 8 LEU QD 1 35 LEU QB . . 4.440 2.909 2.376 3.497 . 0 0 "[ . 1]" 1
130 1 8 LEU QD 1 35 LEU QD . . 3.050 2.258 2.089 2.389 . 0 0 "[ . 1]" 1
131 1 8 LEU MD1 1 9 GLU H . . 5.450 4.348 4.122 4.595 . 0 0 "[ . 1]" 1
132 1 8 LEU MD1 1 9 GLU HA . . 5.500 4.328 3.966 4.669 . 0 0 "[ . 1]" 1
133 1 8 LEU MD1 1 33 TYR HB2 . . 5.390 5.331 5.089 5.392 0.002 10 0 "[ . 1]" 1
134 1 8 LEU MD1 1 33 TYR HB3 . . 5.500 5.264 4.535 5.503 0.003 6 0 "[ . 1]" 1
135 1 8 LEU MD2 1 9 GLU H . . 5.450 4.445 4.191 4.679 . 0 0 "[ . 1]" 1
136 1 8 LEU MD2 1 9 GLU HA . . 5.500 4.801 4.702 5.019 . 0 0 "[ . 1]" 1
137 1 8 LEU MD2 1 33 TYR HB2 . . 5.390 4.224 3.755 5.013 . 0 0 "[ . 1]" 1
138 1 8 LEU MD2 1 33 TYR HB3 . . 5.500 3.628 3.227 3.971 . 0 0 "[ . 1]" 1
139 1 8 LEU HG 1 9 GLU H . . 3.890 3.649 3.284 3.894 0.004 8 0 "[ . 1]" 1
140 1 8 LEU HG 1 9 GLU HA . . 3.790 3.518 3.316 3.705 . 0 0 "[ . 1]" 1
141 1 8 LEU HG 1 11 ILE H . . 5.500 5.248 5.125 5.394 . 0 0 "[ . 1]" 1
142 1 8 LEU HG 1 35 LEU HA . . 5.500 5.468 5.240 5.523 0.023 1 0 "[ . 1]" 1
143 1 9 GLU H 1 9 GLU HB2 . . 4.120 3.601 3.578 3.618 . 0 0 "[ . 1]" 1
144 1 9 GLU H 1 9 GLU HB3 . . 2.990 2.557 2.399 2.658 . 0 0 "[ . 1]" 1
145 1 9 GLU H 1 9 GLU HG2 . . 2.700 2.176 1.950 2.450 . 0 0 "[ . 1]" 1
146 1 9 GLU H 1 10 LYS H . . 3.360 2.527 2.408 2.666 . 0 0 "[ . 1]" 1
147 1 9 GLU H 1 11 ILE MD . . 5.350 4.117 3.846 4.720 . 0 0 "[ . 1]" 1
148 1 9 GLU H 1 21 ILE MD . . 5.500 4.918 4.445 5.148 . 0 0 "[ . 1]" 1
149 1 9 GLU H 1 21 ILE MG . . 3.300 3.297 3.190 3.339 0.039 1 0 "[ . 1]" 1
150 1 9 GLU H 1 23 ILE MD . . 5.060 3.791 3.406 4.316 . 0 0 "[ . 1]" 1
151 1 9 GLU HA 1 9 GLU HG2 . . 3.880 3.637 3.601 3.718 . 0 0 "[ . 1]" 1
152 1 9 GLU HA 1 11 ILE H . . 5.100 3.805 3.752 3.865 . 0 0 "[ . 1]" 1
153 1 9 GLU HA 1 12 LEU HB2 . . 4.250 2.797 2.375 3.157 . 0 0 "[ . 1]" 1
154 1 9 GLU HA 1 12 LEU HB3 . . 5.040 4.464 4.063 4.889 . 0 0 "[ . 1]" 1
155 1 9 GLU HA 1 12 LEU MD1 . . 4.360 3.510 3.184 3.909 . 0 0 "[ . 1]" 1
156 1 9 GLU HA 1 13 LYS H . . 4.510 4.181 3.831 4.450 . 0 0 "[ . 1]" 1
157 1 9 GLU HA 1 21 ILE MD . . 3.220 2.914 2.226 3.223 0.003 3 0 "[ . 1]" 1
158 1 9 GLU HA 1 21 ILE MG . . 3.400 2.104 1.964 2.274 . 0 0 "[ . 1]" 1
159 1 9 GLU HB2 1 10 LYS H . . 4.770 3.849 3.631 3.967 . 0 0 "[ . 1]" 1
160 1 9 GLU HB2 1 11 ILE H . . 5.500 5.279 5.206 5.387 . 0 0 "[ . 1]" 1
161 1 9 GLU HB2 1 21 ILE HB . . 3.490 2.153 1.994 2.476 . 0 0 "[ . 1]" 1
162 1 9 GLU HB2 1 21 ILE MD . . 3.260 2.151 1.929 2.323 . 0 0 "[ . 1]" 1
163 1 9 GLU HB2 1 21 ILE MG . . 3.690 2.913 2.628 3.426 . 0 0 "[ . 1]" 1
164 1 9 GLU HB3 1 21 ILE MG . . 3.320 2.085 1.969 2.413 . 0 0 "[ . 1]" 1
165 1 9 GLU HG2 1 10 LYS H . . 3.140 2.139 1.946 2.738 . 0 0 "[ . 1]" 1
166 1 9 GLU HG2 1 11 ILE H . . 5.500 4.702 4.545 5.246 . 0 0 "[ . 1]" 1
167 1 9 GLU HG2 1 21 ILE MG . . 4.290 4.214 4.086 4.293 0.003 8 0 "[ . 1]" 1
168 1 10 LYS H 1 10 LYS QB . . 2.780 2.376 2.141 2.566 . 0 0 "[ . 1]" 1
169 1 10 LYS H 1 10 LYS QD . . 3.940 3.530 2.148 3.910 . 0 0 "[ . 1]" 1
170 1 10 LYS H 1 10 LYS QG . . 4.300 2.663 1.935 4.044 . 0 0 "[ . 1]" 1
171 1 10 LYS H 1 11 ILE H . . 3.480 2.757 2.671 2.794 . 0 0 "[ . 1]" 1
172 1 10 LYS H 1 11 ILE MD . . 4.740 3.690 3.393 4.742 0.002 10 0 "[ . 1]" 1
173 1 10 LYS H 1 13 LYS HG3 . . 4.140 4.150 4.135 4.160 0.020 5 0 "[ . 1]" 1
174 1 10 LYS HA 1 10 LYS QD . . 3.410 2.285 2.065 2.721 . 0 0 "[ . 1]" 1
175 1 10 LYS HA 1 10 LYS QG . . 3.240 2.681 2.275 2.868 . 0 0 "[ . 1]" 1
176 1 10 LYS HA 1 12 LEU H . . 5.500 4.786 4.352 5.304 . 0 0 "[ . 1]" 1
177 1 10 LYS HA 1 13 LYS H . . 4.340 3.644 3.413 3.877 . 0 0 "[ . 1]" 1
178 1 10 LYS HA 1 13 LYS QD . . 3.690 3.378 2.790 3.815 0.125 1 0 "[ . 1]" 1
179 1 10 LYS HA 1 13 LYS QE . . 5.340 4.861 3.569 5.205 . 0 0 "[ . 1]" 1
180 1 10 LYS HA 1 13 LYS HG3 . . 3.630 2.688 1.945 2.998 . 0 0 "[ . 1]" 1
181 1 10 LYS QB 1 11 ILE H . . 3.180 2.821 2.740 2.906 . 0 0 "[ . 1]" 1
182 1 10 LYS QG 1 11 ILE H . . 5.340 4.210 4.022 4.669 . 0 0 "[ . 1]" 1
183 1 11 ILE H 1 11 ILE HB . . 2.700 2.492 2.422 2.516 . 0 0 "[ . 1]" 1
184 1 11 ILE H 1 11 ILE MD . . 3.420 2.258 1.890 3.297 . 0 0 "[ . 1]" 1
185 1 11 ILE H 1 11 ILE HG12 . . 4.180 3.884 3.652 3.972 . 0 0 "[ . 1]" 1
186 1 11 ILE H 1 11 ILE QG . . 3.390 2.790 2.173 3.157 . 0 0 "[ . 1]" 1
187 1 11 ILE H 1 11 ILE HG13 . . 4.180 2.873 2.190 3.324 . 0 0 "[ . 1]" 1
188 1 11 ILE H 1 11 ILE MG . . 3.780 3.766 3.747 3.779 . 0 0 "[ . 1]" 1
189 1 11 ILE H 1 12 LEU H . . 3.340 2.616 2.341 2.899 . 0 0 "[ . 1]" 1
190 1 11 ILE H 1 12 LEU HB2 . . 5.500 4.527 4.342 4.770 . 0 0 "[ . 1]" 1
191 1 11 ILE H 1 13 LYS H . . 4.880 3.693 3.592 3.845 . 0 0 "[ . 1]" 1
192 1 11 ILE H 1 13 LYS HG3 . . 4.920 4.837 4.566 4.931 0.011 4 0 "[ . 1]" 1
193 1 11 ILE HA 1 11 ILE MD . . 4.200 3.497 3.119 3.880 . 0 0 "[ . 1]" 1
194 1 11 ILE HA 1 11 ILE HG12 . . 3.700 3.339 2.743 3.548 . 0 0 "[ . 1]" 1
195 1 11 ILE HA 1 11 ILE QG . . 3.180 2.323 2.264 2.448 . 0 0 "[ . 1]" 1
196 1 11 ILE HA 1 11 ILE HG13 . . 3.700 2.400 2.291 2.753 . 0 0 "[ . 1]" 1
197 1 11 ILE HA 1 11 ILE MG . . 2.670 2.337 2.305 2.393 . 0 0 "[ . 1]" 1
198 1 11 ILE HA 1 14 LYS H . . 4.000 3.762 3.541 3.932 . 0 0 "[ . 1]" 1
199 1 11 ILE HA 1 14 LYS HB2 . . 4.230 4.119 3.232 4.242 0.012 1 0 "[ . 1]" 1
200 1 11 ILE HA 1 14 LYS QG . . 4.590 3.003 2.640 4.221 . 0 0 "[ . 1]" 1
201 1 11 ILE HA 1 58 LEU HB3 . . 5.500 5.193 4.593 5.503 0.003 7 0 "[ . 1]" 1
202 1 11 ILE HA 1 63 ASN QB . . 3.720 3.078 2.859 3.352 . 0 0 "[ . 1]" 1
203 1 11 ILE HA 1 63 ASN QD . . 4.620 2.067 1.919 2.779 . 0 0 "[ . 1]" 1
204 1 11 ILE HB 1 12 LEU H . . 3.460 2.424 2.015 2.855 . 0 0 "[ . 1]" 1
205 1 11 ILE HB 1 63 ASN QD . . 5.340 4.420 4.154 4.807 . 0 0 "[ . 1]" 1
206 1 11 ILE MD 1 63 ASN QB . . 3.670 3.398 3.138 3.687 0.017 5 0 "[ . 1]" 1
207 1 11 ILE MD 1 63 ASN HD21 . . 5.500 4.689 4.309 5.456 . 0 0 "[ . 1]" 1
208 1 11 ILE MD 1 63 ASN HD22 . . 5.500 5.461 5.057 5.551 0.051 4 0 "[ . 1]" 1
209 1 11 ILE QG 1 63 ASN QB . . 4.840 1.961 1.835 2.372 . 0 0 "[ . 1]" 1
210 1 11 ILE MG 1 12 LEU H . . 3.720 3.240 2.763 3.642 . 0 0 "[ . 1]" 1
211 1 11 ILE MG 1 12 LEU HA . . 3.640 3.406 3.199 3.599 . 0 0 "[ . 1]" 1
212 1 11 ILE MG 1 14 LYS H . . 4.900 4.495 4.227 4.705 . 0 0 "[ . 1]" 1
213 1 11 ILE MG 1 15 SER H . . 5.500 5.373 4.854 5.508 0.008 10 0 "[ . 1]" 1
214 1 11 ILE MG 1 57 ALA MB . . 4.110 3.762 3.337 4.115 0.005 3 0 "[ . 1]" 1
215 1 11 ILE MG 1 58 LEU H . . 4.920 4.430 4.096 4.870 . 0 0 "[ . 1]" 1
216 1 11 ILE MG 1 58 LEU HA . . 3.690 3.144 2.607 3.716 0.026 6 0 "[ . 1]" 1
217 1 11 ILE MG 1 63 ASN HA . . 5.500 4.640 4.203 5.165 . 0 0 "[ . 1]" 1
218 1 11 ILE MG 1 64 LYS H . . 4.910 3.453 2.559 4.909 . 0 0 "[ . 1]" 1
219 1 11 ILE MG 1 64 LYS HA . . 5.500 4.756 3.329 5.501 0.001 4 0 "[ . 1]" 1
220 1 12 LEU H 1 12 LEU HB2 . . 3.270 2.267 2.177 2.445 . 0 0 "[ . 1]" 1
221 1 12 LEU H 1 12 LEU HB3 . . 3.650 3.535 3.491 3.581 . 0 0 "[ . 1]" 1
222 1 12 LEU H 1 12 LEU MD1 . . 4.290 3.773 3.707 3.864 . 0 0 "[ . 1]" 1
223 1 12 LEU H 1 12 LEU MD2 . . 4.150 3.716 3.296 3.888 . 0 0 "[ . 1]" 1
224 1 12 LEU H 1 12 LEU HG . . 2.910 2.752 2.340 2.917 0.007 1 0 "[ . 1]" 1
225 1 12 LEU H 1 13 LYS H . . 3.400 2.576 2.394 2.771 . 0 0 "[ . 1]" 1
226 1 12 LEU H 1 13 LYS HA . . 5.500 5.134 4.930 5.328 . 0 0 "[ . 1]" 1
227 1 12 LEU H 1 14 LYS H . . 4.810 4.269 4.158 4.425 . 0 0 "[ . 1]" 1
228 1 12 LEU H 1 21 ILE HG12 . . 5.230 4.084 3.670 4.630 . 0 0 "[ . 1]" 1
229 1 12 LEU H 1 21 ILE MG . . 4.990 4.255 4.027 4.462 . 0 0 "[ . 1]" 1
230 1 12 LEU H 1 57 ALA MB . . 5.500 5.507 5.470 5.518 0.018 4 0 "[ . 1]" 1
231 1 12 LEU H 1 63 ASN QD . . 5.340 5.090 4.885 5.341 0.001 10 0 "[ . 1]" 1
232 1 12 LEU HA 1 12 LEU MD1 . . 4.530 3.822 3.809 3.837 . 0 0 "[ . 1]" 1
233 1 12 LEU HA 1 12 LEU MD2 . . 3.170 2.002 1.957 2.137 . 0 0 "[ . 1]" 1
234 1 12 LEU HA 1 15 SER H . . 3.960 3.785 3.541 3.941 . 0 0 "[ . 1]" 1
235 1 12 LEU HA 1 15 SER QB . . 4.620 4.165 3.560 4.641 0.021 6 0 "[ . 1]" 1
236 1 12 LEU HA 1 16 PHE H . . 4.430 3.932 3.438 4.151 . 0 0 "[ . 1]" 1
237 1 12 LEU HA 1 21 ILE HG12 . . 5.290 4.896 4.712 5.084 . 0 0 "[ . 1]" 1
238 1 12 LEU HA 1 21 ILE MG . . 5.500 5.491 5.427 5.518 0.018 6 0 "[ . 1]" 1
239 1 12 LEU HA 1 37 ILE MD . . 5.070 4.518 4.011 4.780 . 0 0 "[ . 1]" 1
240 1 12 LEU HA 1 57 ALA MB . . 4.240 3.386 3.271 3.593 . 0 0 "[ . 1]" 1
241 1 12 LEU HB2 1 13 LYS H . . 4.560 3.149 2.829 3.369 . 0 0 "[ . 1]" 1
242 1 12 LEU HB2 1 21 ILE MD . . 3.300 2.844 2.136 3.182 . 0 0 "[ . 1]" 1
243 1 12 LEU HB2 1 21 ILE HG12 . . 4.630 2.075 1.996 2.425 . 0 0 "[ . 1]" 1
244 1 12 LEU HB2 1 21 ILE MG . . 4.090 2.991 2.817 3.132 . 0 0 "[ . 1]" 1
245 1 12 LEU HB2 1 37 ILE MD . . 3.980 3.839 3.408 3.987 0.007 10 0 "[ . 1]" 1
246 1 12 LEU HB3 1 13 LYS H . . 4.130 3.791 3.538 3.997 . 0 0 "[ . 1]" 1
247 1 12 LEU MD1 1 13 LYS H . . 5.180 4.975 4.776 5.149 . 0 0 "[ . 1]" 1
248 1 12 LEU MD1 1 37 ILE MD . . 2.910 2.303 1.839 2.613 . 0 0 "[ . 1]" 1
249 1 12 LEU MD2 1 15 SER H . . 5.500 4.712 4.421 5.001 . 0 0 "[ . 1]" 1
250 1 12 LEU MD2 1 15 SER QB . . 4.500 4.158 3.531 4.503 0.003 9 0 "[ . 1]" 1
251 1 12 LEU MD2 1 16 PHE H . . 4.580 4.272 3.779 4.536 . 0 0 "[ . 1]" 1
252 1 12 LEU MD2 1 16 PHE QB . . 4.650 3.728 3.429 4.301 . 0 0 "[ . 1]" 1
253 1 12 LEU MD2 1 37 ILE MD . . 3.310 2.675 2.282 3.259 . 0 0 "[ . 1]" 1
254 1 12 LEU MD2 1 54 VAL HA . . 4.470 2.713 2.537 2.949 . 0 0 "[ . 1]" 1
255 1 12 LEU MD2 1 57 ALA H . . 5.500 4.929 4.733 5.203 . 0 0 "[ . 1]" 1
256 1 12 LEU MD2 1 57 ALA MB . . 4.290 3.038 2.892 3.345 . 0 0 "[ . 1]" 1
257 1 12 LEU MD2 1 58 LEU H . . 5.500 5.137 4.676 5.477 . 0 0 "[ . 1]" 1
258 1 12 LEU HG 1 13 LYS H . . 5.140 4.810 4.534 4.967 . 0 0 "[ . 1]" 1
259 1 13 LYS H 1 13 LYS HB2 . . 3.000 2.310 2.224 2.542 . 0 0 "[ . 1]" 1
260 1 13 LYS H 1 13 LYS HB3 . . 3.680 3.554 3.519 3.603 . 0 0 "[ . 1]" 1
261 1 13 LYS H 1 13 LYS QE . . 5.080 4.756 4.574 4.855 . 0 0 "[ . 1]" 1
262 1 13 LYS H 1 13 LYS HG2 . . 3.400 3.239 2.386 3.388 . 0 0 "[ . 1]" 1
263 1 13 LYS H 1 13 LYS HG3 . . 3.330 2.954 2.580 3.130 . 0 0 "[ . 1]" 1
264 1 13 LYS H 1 14 LYS H . . 3.400 2.557 2.356 2.790 . 0 0 "[ . 1]" 1
265 1 13 LYS H 1 15 SER H . . 5.090 4.444 3.808 4.799 . 0 0 "[ . 1]" 1
266 1 13 LYS H 1 21 ILE MD . . 3.780 3.393 2.472 3.731 . 0 0 "[ . 1]" 1
267 1 13 LYS HA 1 13 LYS HB3 . . 2.890 2.589 2.438 2.658 . 0 0 "[ . 1]" 1
268 1 13 LYS HA 1 13 LYS QE . . 4.940 3.156 2.855 3.923 . 0 0 "[ . 1]" 1
269 1 13 LYS HA 1 13 LYS HG2 . . 3.230 2.240 2.136 2.598 . 0 0 "[ . 1]" 1
270 1 13 LYS HA 1 15 SER H . . 4.450 4.094 3.795 4.452 0.002 7 0 "[ . 1]" 1
271 1 13 LYS HA 1 16 PHE H . . 3.860 3.457 3.111 3.718 . 0 0 "[ . 1]" 1
272 1 13 LYS HA 1 16 PHE QB . . 5.090 3.939 3.477 4.382 . 0 0 "[ . 1]" 1
273 1 13 LYS HA 1 17 PRO HA . . 4.050 2.242 1.985 2.690 . 0 0 "[ . 1]" 1
274 1 13 LYS HA 1 17 PRO HB2 . . 5.500 4.820 4.463 5.344 . 0 0 "[ . 1]" 1
275 1 13 LYS HA 1 21 ILE MD . . 3.770 3.258 2.620 3.645 . 0 0 "[ . 1]" 1
276 1 13 LYS HB2 1 13 LYS QE . . 4.030 3.423 2.706 3.642 . 0 0 "[ . 1]" 1
277 1 13 LYS HB3 1 13 LYS QE . . 3.540 2.090 1.973 2.274 . 0 0 "[ . 1]" 1
278 1 13 LYS HB3 1 14 LYS H . . 4.410 3.702 3.455 4.008 . 0 0 "[ . 1]" 1
279 1 13 LYS HB3 1 17 PRO HA . . 3.940 3.017 2.208 3.363 . 0 0 "[ . 1]" 1
280 1 13 LYS QE 1 13 LYS HG3 . . 3.540 3.199 2.382 3.300 . 0 0 "[ . 1]" 1
281 1 13 LYS QE 1 14 LYS H . . 5.340 5.281 5.122 5.362 0.022 1 0 "[ . 1]" 1
282 1 13 LYS QE 1 17 PRO HA . . 2.880 2.135 1.925 2.916 0.036 1 0 "[ . 1]" 1
283 1 13 LYS QE 1 18 SER H . . 5.340 4.662 4.190 5.369 0.029 1 0 "[ . 1]" 1
284 1 13 LYS HG2 1 14 LYS H . . 5.210 4.874 4.445 4.971 . 0 0 "[ . 1]" 1
285 1 13 LYS HG3 1 14 LYS H . . 5.500 4.829 4.617 5.030 . 0 0 "[ . 1]" 1
286 1 13 LYS HG3 1 17 PRO HA . . 4.940 4.379 3.866 4.940 . 0 0 "[ . 1]" 1
287 1 14 LYS H 1 14 LYS HB2 . . 2.770 2.397 2.311 2.550 . 0 0 "[ . 1]" 1
288 1 14 LYS H 1 14 LYS QD . . 3.600 3.404 1.907 3.622 0.022 1 0 "[ . 1]" 1
289 1 14 LYS H 1 14 LYS QE . . 5.340 4.533 2.956 5.056 . 0 0 "[ . 1]" 1
290 1 14 LYS H 1 14 LYS QG . . 3.240 2.434 2.099 3.308 0.068 10 0 "[ . 1]" 1
291 1 14 LYS H 1 15 SER H . . 3.220 2.829 2.681 2.944 . 0 0 "[ . 1]" 1
292 1 14 LYS H 1 16 PHE H . . 4.570 4.103 3.721 4.574 0.004 8 0 "[ . 1]" 1
293 1 14 LYS H 1 63 ASN HD21 . . 4.830 4.463 4.188 4.750 . 0 0 "[ . 1]" 1
294 1 14 LYS H 1 63 ASN QD . . 4.250 4.053 3.766 4.161 . 0 0 "[ . 1]" 1
295 1 14 LYS H 1 63 ASN HD22 . . 4.830 4.688 4.269 4.845 0.015 1 0 "[ . 1]" 1
296 1 14 LYS HA 1 14 LYS QD . . 3.380 2.142 1.974 2.891 . 0 0 "[ . 1]" 1
297 1 14 LYS HA 1 14 LYS HG2 . . 3.870 2.998 2.870 3.574 . 0 0 "[ . 1]" 1
298 1 14 LYS HA 1 14 LYS HG3 . . 3.870 3.552 2.287 3.736 . 0 0 "[ . 1]" 1
299 1 14 LYS HA 1 63 ASN HD21 . . 5.500 5.512 5.495 5.526 0.026 4 0 "[ . 1]" 1
300 1 14 LYS HA 1 63 ASN HD22 . . 5.500 5.141 4.656 5.517 0.017 5 0 "[ . 1]" 1
301 1 14 LYS HB2 1 14 LYS QE . . 4.500 4.023 3.587 4.209 . 0 0 "[ . 1]" 1
302 1 14 LYS HB2 1 15 SER H . . 3.300 2.680 2.406 2.970 . 0 0 "[ . 1]" 1
303 1 14 LYS HB2 1 15 SER HB2 . . 5.500 4.189 3.832 4.681 . 0 0 "[ . 1]" 1
304 1 14 LYS HB2 1 15 SER HB3 . . 5.500 4.712 4.182 5.511 0.011 6 0 "[ . 1]" 1
305 1 14 LYS HB2 1 63 ASN QD . . 4.630 3.335 2.064 3.780 . 0 0 "[ . 1]" 1
306 1 14 LYS QD 1 14 LYS QE . . 2.370 2.052 1.991 2.080 . 0 0 "[ . 1]" 1
307 1 14 LYS QD 1 63 ASN QD . . 5.180 2.936 1.966 3.624 . 0 0 "[ . 1]" 1
308 1 14 LYS QE 1 14 LYS QG . . 2.990 2.108 1.947 2.847 . 0 0 "[ . 1]" 1
309 1 14 LYS QG 1 15 SER H . . 5.300 4.220 4.039 4.608 . 0 0 "[ . 1]" 1
310 1 14 LYS QG 1 63 ASN QD . . 4.570 1.940 1.847 2.224 . 0 0 "[ . 1]" 1
311 1 15 SER H 1 15 SER HB2 . . 3.570 2.859 2.297 3.300 . 0 0 "[ . 1]" 1
312 1 15 SER H 1 15 SER QB . . 3.030 2.342 2.269 2.423 . 0 0 "[ . 1]" 1
313 1 15 SER H 1 15 SER HB3 . . 3.570 2.760 2.363 3.518 . 0 0 "[ . 1]" 1
314 1 15 SER H 1 16 PHE H . . 2.880 2.137 1.964 2.335 . 0 0 "[ . 1]" 1
315 1 15 SER H 1 57 ALA MB . . 4.210 3.373 2.951 4.223 0.013 4 0 "[ . 1]" 1
316 1 15 SER QB 1 16 PHE H . . 3.740 2.694 2.397 3.028 . 0 0 "[ . 1]" 1
317 1 15 SER QB 1 57 ALA HA . . 5.340 3.452 3.310 3.745 . 0 0 "[ . 1]" 1
318 1 15 SER QB 1 57 ALA MB . . 3.520 1.951 1.827 2.102 . 0 0 "[ . 1]" 1
319 1 15 SER HB2 1 57 ALA MB . . 4.090 2.170 1.935 2.680 . 0 0 "[ . 1]" 1
320 1 15 SER HB3 1 57 ALA MB . . 4.090 2.503 2.124 3.225 . 0 0 "[ . 1]" 1
321 1 16 PHE H 1 16 PHE HB2 . . 3.790 2.789 2.713 2.908 . 0 0 "[ . 1]" 1
322 1 16 PHE H 1 16 PHE QB . . 3.250 2.720 2.653 2.829 . 0 0 "[ . 1]" 1
323 1 16 PHE H 1 16 PHE HB3 . . 3.790 3.779 3.751 3.873 0.083 1 0 "[ . 1]" 1
324 1 16 PHE H 1 17 PRO HA . . 5.020 4.677 4.475 4.781 . 0 0 "[ . 1]" 1
325 1 16 PHE H 1 17 PRO HD2 . . 4.510 4.084 3.917 4.243 . 0 0 "[ . 1]" 1
326 1 16 PHE H 1 37 ILE MD . . 5.280 4.526 3.944 4.916 . 0 0 "[ . 1]" 1
327 1 16 PHE H 1 57 ALA MB . . 4.890 4.145 3.919 4.435 . 0 0 "[ . 1]" 1
328 1 16 PHE HA 1 17 PRO QG . . 4.520 3.904 3.858 3.960 . 0 0 "[ . 1]" 1
329 1 16 PHE HA 1 18 SER H . . 4.840 3.694 3.296 3.878 . 0 0 "[ . 1]" 1
330 1 16 PHE HA 1 41 GLN HE22 . . 3.400 3.146 2.860 3.403 0.003 2 0 "[ . 1]" 1
331 1 16 PHE QB 1 19 SER H . . 3.720 3.198 2.748 3.465 . 0 0 "[ . 1]" 1
332 1 16 PHE QB 1 19 SER QB . . 3.220 1.922 1.867 1.978 . 0 0 "[ . 1]" 1
333 1 16 PHE QB 1 21 ILE MD . . 5.340 3.769 3.201 4.150 . 0 0 "[ . 1]" 1
334 1 16 PHE QB 1 39 ASP QB . . 5.180 3.540 2.919 4.180 . 0 0 "[ . 1]" 1
335 1 16 PHE HB2 1 19 SER H . . 4.250 4.068 3.591 4.269 0.019 2 0 "[ . 1]" 1
336 1 16 PHE HB2 1 19 SER HB2 . . 4.330 3.076 2.163 4.046 . 0 0 "[ . 1]" 1
337 1 16 PHE HB2 1 19 SER HB3 . . 4.330 3.173 2.485 3.479 . 0 0 "[ . 1]" 1
338 1 16 PHE HB2 1 37 ILE MD . . 4.590 2.370 1.967 2.646 . 0 0 "[ . 1]" 1
339 1 16 PHE HB3 1 19 SER H . . 4.250 3.354 2.852 3.746 . 0 0 "[ . 1]" 1
340 1 16 PHE HB3 1 19 SER HB2 . . 4.330 2.627 2.015 3.470 . 0 0 "[ . 1]" 1
341 1 16 PHE HB3 1 19 SER HB3 . . 4.330 2.651 1.977 3.645 . 0 0 "[ . 1]" 1
342 1 16 PHE HB3 1 37 ILE MD . . 4.590 2.672 2.364 2.945 . 0 0 "[ . 1]" 1
343 1 17 PRO HB2 1 18 SER HB2 . . 5.500 5.037 4.207 5.429 . 0 0 "[ . 1]" 1
344 1 17 PRO HB2 1 18 SER QB . . 4.690 4.548 4.081 4.877 0.187 5 0 "[ . 1]" 1
345 1 17 PRO HB2 1 18 SER HB3 . . 5.500 5.314 4.383 5.540 0.040 2 0 "[ . 1]" 1
346 1 17 PRO HB3 1 18 SER H . . 4.210 3.988 3.879 4.227 0.017 4 0 "[ . 1]" 1
347 1 17 PRO HD2 1 18 SER H . . 4.650 2.726 2.655 2.763 . 0 0 "[ . 1]" 1
348 1 17 PRO HD2 1 41 GLN HE21 . . 5.500 5.469 5.356 5.528 0.028 1 0 "[ . 1]" 1
349 1 17 PRO HD2 1 41 GLN HE22 . . 5.360 3.914 3.792 4.033 . 0 0 "[ . 1]" 1
350 1 17 PRO HD3 1 18 SER H . . 4.630 3.865 3.844 3.877 . 0 0 "[ . 1]" 1
351 1 17 PRO HD3 1 41 GLN HE22 . . 5.500 5.479 5.377 5.527 0.027 9 0 "[ . 1]" 1
352 1 17 PRO QG 1 18 SER QB . . 4.910 3.560 3.096 3.929 . 0 0 "[ . 1]" 1
353 1 18 SER H 1 18 SER HB2 . . 3.940 2.841 2.610 3.496 . 0 0 "[ . 1]" 1
354 1 18 SER H 1 18 SER QB . . 3.270 2.455 2.165 2.691 . 0 0 "[ . 1]" 1
355 1 18 SER H 1 18 SER HB3 . . 3.940 2.993 2.186 3.585 . 0 0 "[ . 1]" 1
356 1 18 SER H 1 19 SER H . . 3.310 2.561 2.289 2.655 . 0 0 "[ . 1]" 1
357 1 18 SER H 1 19 SER QB . . 4.970 4.292 4.006 4.491 . 0 0 "[ . 1]" 1
358 1 18 SER QB 1 19 SER H . . 3.660 3.147 2.706 3.699 0.039 6 0 "[ . 1]" 1
359 1 18 SER HB2 1 19 SER H . . 4.520 3.647 2.754 4.480 . 0 0 "[ . 1]" 1
360 1 18 SER HB3 1 19 SER H . . 4.520 3.840 3.106 4.185 . 0 0 "[ . 1]" 1
361 1 19 SER H 1 19 SER HB2 . . 3.900 2.857 2.179 3.754 . 0 0 "[ . 1]" 1
362 1 19 SER H 1 19 SER QB . . 3.280 2.240 2.077 2.647 . 0 0 "[ . 1]" 1
363 1 19 SER H 1 19 SER HB3 . . 3.900 2.911 2.108 3.519 . 0 0 "[ . 1]" 1
364 1 19 SER H 1 20 VAL H . . 4.750 4.611 4.472 4.647 . 0 0 "[ . 1]" 1
365 1 19 SER H 1 21 ILE MD . . 4.810 4.272 3.881 4.808 . 0 0 "[ . 1]" 1
366 1 19 SER H 1 37 ILE MD . . 5.060 4.572 4.331 4.868 . 0 0 "[ . 1]" 1
367 1 19 SER H 1 39 ASP QB . . 4.750 4.161 3.755 4.783 0.033 6 0 "[ . 1]" 1
368 1 19 SER HA 1 20 VAL H . . 2.900 2.323 2.195 2.476 . 0 0 "[ . 1]" 1
369 1 19 SER HA 1 20 VAL HA . . 4.810 4.371 4.351 4.399 . 0 0 "[ . 1]" 1
370 1 19 SER HA 1 20 VAL MG2 . . 4.510 3.524 3.427 3.631 . 0 0 "[ . 1]" 1
371 1 19 SER HA 1 37 ILE MD . . 4.750 4.380 4.163 4.699 . 0 0 "[ . 1]" 1
372 1 19 SER HA 1 38 SER H . . 4.150 4.019 3.867 4.173 0.023 8 0 "[ . 1]" 1
373 1 19 SER HA 1 39 ASP H . . 5.130 4.943 4.458 5.164 0.034 5 0 "[ . 1]" 1
374 1 19 SER QB 1 20 VAL H . . 3.150 2.763 2.297 3.143 . 0 0 "[ . 1]" 1
375 1 19 SER QB 1 21 ILE H . . 5.340 4.674 4.106 5.313 . 0 0 "[ . 1]" 1
376 1 19 SER QB 1 37 ILE HB . . 4.910 4.471 4.215 4.819 . 0 0 "[ . 1]" 1
377 1 19 SER QB 1 37 ILE MD . . 3.850 2.227 1.905 2.523 . 0 0 "[ . 1]" 1
378 1 19 SER QB 1 37 ILE QG . . 3.030 2.120 1.920 2.506 . 0 0 "[ . 1]" 1
379 1 19 SER QB 1 38 SER H . . 5.340 3.258 2.799 3.748 . 0 0 "[ . 1]" 1
380 1 19 SER QB 1 39 ASP QB . . 3.740 2.734 1.982 3.524 . 0 0 "[ . 1]" 1
381 1 19 SER HB2 1 37 ILE MD . . 4.510 2.637 2.296 2.800 . 0 0 "[ . 1]" 1
382 1 19 SER HB3 1 37 ILE MD . . 4.510 2.519 1.939 3.061 . 0 0 "[ . 1]" 1
383 1 20 VAL H 1 20 VAL HB . . 3.220 2.548 2.518 2.591 . 0 0 "[ . 1]" 1
384 1 20 VAL H 1 20 VAL MG1 . . 4.270 3.808 3.794 3.831 . 0 0 "[ . 1]" 1
385 1 20 VAL H 1 20 VAL MG2 . . 3.250 2.567 2.298 2.747 . 0 0 "[ . 1]" 1
386 1 20 VAL H 1 37 ILE HA . . 4.470 3.985 3.767 4.475 0.005 2 0 "[ . 1]" 1
387 1 20 VAL H 1 37 ILE MD . . 5.250 4.332 3.901 4.989 . 0 0 "[ . 1]" 1
388 1 20 VAL H 1 37 ILE QG . . 3.920 3.256 2.984 3.651 . 0 0 "[ . 1]" 1
389 1 20 VAL H 1 38 SER H . . 3.340 2.286 2.103 2.600 . 0 0 "[ . 1]" 1
390 1 20 VAL H 1 38 SER QB . . 3.620 3.051 2.503 3.631 0.011 8 0 "[ . 1]" 1
391 1 20 VAL HA 1 20 VAL MG1 . . 3.360 2.333 2.306 2.371 . 0 0 "[ . 1]" 1
392 1 20 VAL HA 1 20 VAL MG2 . . 3.380 2.319 2.269 2.396 . 0 0 "[ . 1]" 1
393 1 20 VAL HA 1 21 ILE H . . 2.660 2.193 2.145 2.225 . 0 0 "[ . 1]" 1
394 1 20 VAL HA 1 21 ILE HA . . 5.180 4.439 4.404 4.464 . 0 0 "[ . 1]" 1
395 1 20 VAL HA 1 21 ILE MG . . 5.500 5.515 5.481 5.538 0.038 3 0 "[ . 1]" 1
396 1 20 VAL HA 1 38 SER H . . 5.230 4.503 4.280 4.653 . 0 0 "[ . 1]" 1
397 1 20 VAL HB 1 21 ILE H . . 4.530 4.416 4.319 4.461 . 0 0 "[ . 1]" 1
398 1 20 VAL HB 1 38 SER H . . 4.110 3.036 2.877 3.271 . 0 0 "[ . 1]" 1
399 1 20 VAL HB 1 38 SER QB . . 3.120 2.249 1.964 2.769 . 0 0 "[ . 1]" 1
400 1 20 VAL MG1 1 21 ILE H . . 3.370 3.209 2.945 3.347 . 0 0 "[ . 1]" 1
401 1 20 VAL MG1 1 21 ILE HA . . 4.410 4.085 3.975 4.167 . 0 0 "[ . 1]" 1
402 1 20 VAL MG1 1 22 LYS H . . 4.480 4.293 3.921 4.469 . 0 0 "[ . 1]" 1
403 1 20 VAL MG1 1 22 LYS QB . . 3.880 2.934 2.699 3.126 . 0 0 "[ . 1]" 1
404 1 20 VAL MG1 1 22 LYS QE . . 4.790 2.942 2.255 3.848 . 0 0 "[ . 1]" 1
405 1 20 VAL MG1 1 38 SER H . . 4.270 4.245 4.156 4.284 0.014 8 0 "[ . 1]" 1
406 1 20 VAL MG1 1 38 SER QB . . 3.870 3.586 3.179 3.869 . 0 0 "[ . 1]" 1
407 1 20 VAL MG2 1 21 ILE H . . 4.210 4.195 4.095 4.216 0.006 10 0 "[ . 1]" 1
408 1 20 VAL MG2 1 38 SER QB . . 3.790 2.800 2.190 3.704 . 0 0 "[ . 1]" 1
409 1 21 ILE H 1 21 ILE HB . . 2.880 2.580 2.497 2.633 . 0 0 "[ . 1]" 1
410 1 21 ILE H 1 21 ILE HG13 . . 3.510 2.833 2.495 3.112 . 0 0 "[ . 1]" 1
411 1 21 ILE H 1 21 ILE MG . . 4.050 3.796 3.777 3.817 . 0 0 "[ . 1]" 1
412 1 21 ILE H 1 22 LYS H . . 5.500 4.467 4.325 4.540 . 0 0 "[ . 1]" 1
413 1 21 ILE HA 1 21 ILE HG12 . . 4.090 3.402 2.962 3.526 . 0 0 "[ . 1]" 1
414 1 21 ILE HA 1 21 ILE MG . . 3.620 2.301 2.219 2.349 . 0 0 "[ . 1]" 1
415 1 21 ILE HA 1 22 LYS H . . 2.820 2.152 2.139 2.166 . 0 0 "[ . 1]" 1
416 1 21 ILE HA 1 35 LEU QD . . 3.700 3.192 2.980 3.431 . 0 0 "[ . 1]" 1
417 1 21 ILE HA 1 37 ILE HA . . 3.880 2.999 2.593 3.312 . 0 0 "[ . 1]" 1
418 1 21 ILE HA 1 37 ILE HB . . 4.770 4.116 3.599 4.721 . 0 0 "[ . 1]" 1
419 1 21 ILE HA 1 37 ILE MD . . 5.190 4.130 3.647 4.699 . 0 0 "[ . 1]" 1
420 1 21 ILE HB 1 21 ILE MD . . 2.580 2.130 2.092 2.209 . 0 0 "[ . 1]" 1
421 1 21 ILE MD 1 37 ILE MD . . 4.110 3.359 2.963 3.788 . 0 0 "[ . 1]" 1
422 1 21 ILE HG13 1 37 ILE MD . . 3.720 2.752 2.210 3.539 . 0 0 "[ . 1]" 1
423 1 21 ILE MG 1 22 LYS H . . 3.160 2.435 2.206 2.834 . 0 0 "[ . 1]" 1
424 1 21 ILE MG 1 22 LYS QB . . 5.340 4.327 4.217 4.547 . 0 0 "[ . 1]" 1
425 1 21 ILE MG 1 37 ILE HA . . 5.500 4.483 4.151 4.709 . 0 0 "[ . 1]" 1
426 1 22 LYS H 1 22 LYS HB2 . . 3.350 3.060 2.831 3.289 . 0 0 "[ . 1]" 1
427 1 22 LYS H 1 22 LYS HB3 . . 3.350 2.994 2.758 3.157 . 0 0 "[ . 1]" 1
428 1 22 LYS H 1 22 LYS QE . . 5.340 5.000 4.696 5.337 . 0 0 "[ . 1]" 1
429 1 22 LYS H 1 22 LYS HG2 . . 5.030 4.876 4.678 5.034 0.004 9 0 "[ . 1]" 1
430 1 22 LYS H 1 22 LYS QG . . 4.390 4.202 4.141 4.276 . 0 0 "[ . 1]" 1
431 1 22 LYS H 1 22 LYS HG3 . . 5.030 4.600 4.428 4.725 . 0 0 "[ . 1]" 1
432 1 22 LYS H 1 23 ILE MD . . 5.500 4.223 3.880 4.556 . 0 0 "[ . 1]" 1
433 1 22 LYS H 1 35 LEU HA . . 5.310 4.470 4.019 4.736 . 0 0 "[ . 1]" 1
434 1 22 LYS H 1 35 LEU QD . . 3.540 3.042 2.731 3.413 . 0 0 "[ . 1]" 1
435 1 22 LYS H 1 36 GLU HA . . 5.240 4.949 4.700 5.247 0.007 6 0 "[ . 1]" 1
436 1 22 LYS H 1 36 GLU QB . . 4.610 3.910 2.964 4.573 . 0 0 "[ . 1]" 1
437 1 22 LYS H 1 36 GLU QG . . 5.170 3.436 2.305 5.175 0.005 7 0 "[ . 1]" 1
438 1 22 LYS H 1 37 ILE HA . . 5.460 4.043 3.568 4.378 . 0 0 "[ . 1]" 1
439 1 22 LYS HA 1 22 LYS QD . . 4.560 3.191 2.058 4.117 . 0 0 "[ . 1]" 1
440 1 22 LYS HA 1 22 LYS HG2 . . 3.790 3.322 2.560 3.783 . 0 0 "[ . 1]" 1
441 1 22 LYS HA 1 22 LYS HG3 . . 3.790 2.537 2.162 3.168 . 0 0 "[ . 1]" 1
442 1 22 LYS HA 1 23 ILE H . . 2.670 2.218 2.145 2.317 . 0 0 "[ . 1]" 1
443 1 22 LYS HA 1 23 ILE MD . . 3.460 2.835 2.601 3.114 . 0 0 "[ . 1]" 1
444 1 22 LYS QB 1 23 ILE H . . 4.300 3.525 3.329 3.689 . 0 0 "[ . 1]" 1
445 1 22 LYS QB 1 23 ILE MD . . 5.340 4.474 4.300 4.669 . 0 0 "[ . 1]" 1
446 1 22 LYS QB 1 35 LEU QD . . 5.280 4.650 4.365 4.961 . 0 0 "[ . 1]" 1
447 1 22 LYS HB2 1 23 ILE H . . 5.130 4.211 4.004 4.458 . 0 0 "[ . 1]" 1
448 1 22 LYS HB3 1 23 ILE H . . 5.130 3.795 3.507 4.081 . 0 0 "[ . 1]" 1
449 1 22 LYS QD 1 22 LYS QG . . 2.330 2.024 2.010 2.028 . 0 0 "[ . 1]" 1
450 1 22 LYS QE 1 22 LYS QG . . 3.120 2.389 2.087 2.638 . 0 0 "[ . 1]" 1
451 1 22 LYS QG 1 23 ILE H . . 3.720 2.458 2.175 3.030 . 0 0 "[ . 1]" 1
452 1 22 LYS HG2 1 23 ILE H . . 4.410 3.385 2.275 4.198 . 0 0 "[ . 1]" 1
453 1 22 LYS HG3 1 23 ILE H . . 4.410 2.798 2.272 3.678 . 0 0 "[ . 1]" 1
454 1 23 ILE H 1 23 ILE HB . . 3.010 2.582 2.508 2.702 . 0 0 "[ . 1]" 1
455 1 23 ILE H 1 23 ILE MD . . 3.240 2.173 2.039 2.303 . 0 0 "[ . 1]" 1
456 1 23 ILE H 1 23 ILE HG13 . . 3.570 3.315 3.191 3.505 . 0 0 "[ . 1]" 1
457 1 23 ILE HA 1 23 ILE MD . . 3.880 3.386 3.345 3.488 . 0 0 "[ . 1]" 1
458 1 23 ILE HA 1 23 ILE HG13 . . 3.790 2.368 2.338 2.451 . 0 0 "[ . 1]" 1
459 1 23 ILE HA 1 24 THR H . . 2.860 2.214 2.151 2.266 . 0 0 "[ . 1]" 1
460 1 23 ILE HB 1 24 THR H . . 4.170 3.957 3.749 4.170 0.000 10 0 "[ . 1]" 1
461 1 23 ILE HG13 1 33 TYR HB3 . . 5.500 4.843 3.917 5.504 0.004 8 0 "[ . 1]" 1
462 1 23 ILE HG13 1 35 LEU HA . . 4.400 3.694 3.133 4.402 0.002 6 0 "[ . 1]" 1
463 1 23 ILE MG 1 24 THR H . . 3.170 2.196 2.019 2.609 . 0 0 "[ . 1]" 1
464 1 23 ILE MG 1 25 ASP H . . 4.870 4.332 4.211 4.452 . 0 0 "[ . 1]" 1
465 1 23 ILE MG 1 33 TYR HB3 . . 3.880 2.835 1.907 3.739 . 0 0 "[ . 1]" 1
466 1 24 THR H 1 24 THR HB . . 3.620 2.855 2.757 2.946 . 0 0 "[ . 1]" 1
467 1 24 THR H 1 24 THR MG . . 4.200 3.934 3.893 3.982 . 0 0 "[ . 1]" 1
468 1 24 THR H 1 33 TYR HA . . 5.140 4.666 3.900 5.152 0.012 5 0 "[ . 1]" 1
469 1 24 THR H 1 33 TYR HB3 . . 5.220 4.699 4.084 5.212 . 0 0 "[ . 1]" 1
470 1 24 THR H 1 34 ALA MB . . 3.740 2.887 2.368 3.240 . 0 0 "[ . 1]" 1
471 1 24 THR H 1 35 LEU HA . . 4.460 4.192 3.871 4.451 . 0 0 "[ . 1]" 1
472 1 24 THR HA 1 24 THR MG . . 3.600 2.265 2.147 2.342 . 0 0 "[ . 1]" 1
473 1 24 THR HA 1 25 ASP H . . 3.130 2.193 2.162 2.233 . 0 0 "[ . 1]" 1
474 1 24 THR HB 1 25 ASP H . . 4.020 3.955 3.825 4.020 . 0 0 "[ . 1]" 1
475 1 24 THR HB 1 34 ALA MB . . 3.630 2.103 1.909 2.359 . 0 0 "[ . 1]" 1
476 1 24 THR MG 1 25 ASP H . . 3.860 2.332 2.051 2.609 . 0 0 "[ . 1]" 1
477 1 24 THR MG 1 25 ASP HA . . 4.310 4.061 3.845 4.288 . 0 0 "[ . 1]" 1
478 1 24 THR MG 1 26 LEU H . . 4.700 4.363 3.840 4.676 . 0 0 "[ . 1]" 1
479 1 24 THR MG 1 26 LEU HA . . 4.270 4.098 3.774 4.274 0.004 2 0 "[ . 1]" 1
480 1 24 THR MG 1 26 LEU HG . . 4.130 3.374 2.107 4.135 0.005 7 0 "[ . 1]" 1
481 1 24 THR MG 1 34 ALA MB . . 3.630 3.242 3.122 3.470 . 0 0 "[ . 1]" 1
482 1 25 ASP H 1 25 ASP HB2 . . 3.780 3.183 2.416 3.634 . 0 0 "[ . 1]" 1
483 1 25 ASP H 1 25 ASP HB3 . . 3.780 3.078 2.609 3.648 . 0 0 "[ . 1]" 1
484 1 25 ASP H 1 26 LEU HA . . 5.500 5.177 5.023 5.314 . 0 0 "[ . 1]" 1
485 1 25 ASP H 1 34 ALA MB . . 5.500 4.652 4.532 4.846 . 0 0 "[ . 1]" 1
486 1 25 ASP HA 1 25 ASP QB . . 2.460 2.261 2.179 2.455 . 0 0 "[ . 1]" 1
487 1 25 ASP HA 1 26 LEU H . . 3.150 2.181 2.141 2.254 . 0 0 "[ . 1]" 1
488 1 25 ASP HA 1 26 LEU QD . . 5.300 4.253 3.091 4.865 . 0 0 "[ . 1]" 1
489 1 25 ASP HA 1 27 VAL H . . 4.300 3.789 3.270 4.297 . 0 0 "[ . 1]" 1
490 1 25 ASP HA 1 34 ALA MB . . 4.610 4.117 3.809 4.516 . 0 0 "[ . 1]" 1
491 1 25 ASP QB 1 26 LEU H . . 4.030 3.372 2.910 3.896 . 0 0 "[ . 1]" 1
492 1 25 ASP QB 1 27 VAL H . . 4.570 3.841 3.124 4.396 . 0 0 "[ . 1]" 1
493 1 25 ASP HB2 1 26 LEU H . . 4.610 3.832 3.207 4.546 . 0 0 "[ . 1]" 1
494 1 25 ASP HB3 1 26 LEU H . . 4.610 3.990 2.982 4.509 . 0 0 "[ . 1]" 1
495 1 26 LEU H 1 26 LEU QB . . 2.880 2.445 2.210 2.973 0.093 7 0 "[ . 1]" 1
496 1 26 LEU H 1 26 LEU MD1 . . 4.900 3.403 2.066 4.179 . 0 0 "[ . 1]" 1
497 1 26 LEU H 1 26 LEU QD . . 4.230 3.157 2.060 3.713 . 0 0 "[ . 1]" 1
498 1 26 LEU H 1 26 LEU MD2 . . 4.900 4.099 3.574 4.391 . 0 0 "[ . 1]" 1
499 1 26 LEU H 1 26 LEU HG . . 4.040 3.166 1.946 3.638 . 0 0 "[ . 1]" 1
500 1 26 LEU H 1 27 VAL H . . 3.830 2.247 1.912 2.499 . 0 0 "[ . 1]" 1
501 1 26 LEU H 1 27 VAL HA . . 5.050 4.820 4.672 5.041 . 0 0 "[ . 1]" 1
502 1 26 LEU H 1 27 VAL MG1 . . 5.350 4.857 4.027 5.351 0.001 10 0 "[ . 1]" 1
503 1 26 LEU H 1 27 VAL QG . . 4.120 3.400 2.715 3.726 . 0 0 "[ . 1]" 1
504 1 26 LEU H 1 27 VAL MG2 . . 5.350 3.497 2.724 3.862 . 0 0 "[ . 1]" 1
505 1 26 LEU H 1 33 TYR HA . . 4.650 4.559 4.304 4.655 0.005 7 0 "[ . 1]" 1
506 1 26 LEU HA 1 26 LEU HG . . 3.800 2.808 2.474 3.649 . 0 0 "[ . 1]" 1
507 1 26 LEU QB 1 27 VAL H . . 3.750 2.958 2.340 3.785 0.035 7 0 "[ . 1]" 1
508 1 26 LEU QB 1 27 VAL QG . . 3.070 2.798 2.448 3.088 0.018 7 0 "[ . 1]" 1
509 1 27 VAL H 1 27 VAL HB . . 3.830 3.342 2.475 3.843 0.013 7 0 "[ . 1]" 1
510 1 27 VAL H 1 27 VAL MG1 . . 4.290 3.370 2.956 3.975 . 0 0 "[ . 1]" 1
511 1 27 VAL H 1 27 VAL QG . . 3.540 2.253 1.903 2.914 . 0 0 "[ . 1]" 1
512 1 27 VAL H 1 27 VAL MG2 . . 4.290 2.291 1.924 3.002 . 0 0 "[ . 1]" 1
513 1 27 VAL H 1 28 GLY QA . . 4.640 4.209 3.810 4.658 0.018 7 0 "[ . 1]" 1
514 1 27 VAL H 1 29 ASP H . . 5.500 4.771 4.054 5.287 . 0 0 "[ . 1]" 1
515 1 27 VAL HA 1 27 VAL MG1 . . 3.600 2.277 2.139 2.356 . 0 0 "[ . 1]" 1
516 1 27 VAL HA 1 27 VAL MG2 . . 3.600 2.869 2.291 3.201 . 0 0 "[ . 1]" 1
517 1 27 VAL HB 1 29 ASP H . . 3.980 3.492 2.703 4.008 0.028 2 0 "[ . 1]" 1
518 1 27 VAL HB 1 32 HIS QB . . 5.020 4.116 2.562 5.019 . 0 0 "[ . 1]" 1
519 1 27 VAL QG 1 29 ASP H . . 4.320 2.654 1.897 3.846 . 0 0 "[ . 1]" 1
520 1 27 VAL QG 1 29 ASP QB . . 4.590 3.635 2.346 4.646 0.056 2 0 "[ . 1]" 1
521 1 27 VAL QG 1 32 HIS QB . . 3.530 2.190 1.846 2.705 . 0 0 "[ . 1]" 1
522 1 27 VAL MG1 1 32 HIS HB2 . . 4.880 3.980 3.175 4.718 . 0 0 "[ . 1]" 1
523 1 27 VAL MG1 1 32 HIS HB3 . . 4.880 3.811 1.968 4.743 . 0 0 "[ . 1]" 1
524 1 27 VAL MG2 1 32 HIS HB2 . . 4.880 2.845 2.092 3.756 . 0 0 "[ . 1]" 1
525 1 27 VAL MG2 1 32 HIS HB3 . . 4.880 2.530 1.937 3.482 . 0 0 "[ . 1]" 1
526 1 29 ASP H 1 29 ASP HB2 . . 3.860 2.920 2.225 3.750 . 0 0 "[ . 1]" 1
527 1 29 ASP H 1 29 ASP HB3 . . 3.860 3.347 2.498 3.800 . 0 0 "[ . 1]" 1
528 1 30 GLN QB 1 30 GLN QE . . 4.010 2.429 1.963 3.415 . 0 0 "[ . 1]" 1
529 1 30 GLN QE 1 31 ASP HA . . 5.190 4.806 4.525 5.208 0.018 5 0 "[ . 1]" 1
530 1 30 GLN QE 1 32 HIS HA . . 4.710 3.366 2.048 4.159 . 0 0 "[ . 1]" 1
531 1 30 GLN QE 1 32 HIS QB . . 3.790 2.213 1.815 3.785 . 0 0 "[ . 1]" 1
532 1 30 GLN QE 1 33 TYR H . . 5.340 5.099 3.720 5.357 0.017 5 0 "[ . 1]" 1
533 1 31 ASP HA 1 32 HIS QB . . 5.180 4.619 4.443 5.158 . 0 0 "[ . 1]" 1
534 1 32 HIS HA 1 33 TYR H . . 3.100 2.269 2.140 2.515 . 0 0 "[ . 1]" 1
535 1 32 HIS QB 1 33 TYR H . . 4.020 3.392 2.439 3.941 . 0 0 "[ . 1]" 1
536 1 32 HIS HB2 1 33 TYR H . . 4.690 4.209 3.860 4.574 . 0 0 "[ . 1]" 1
537 1 32 HIS HB3 1 33 TYR H . . 4.690 3.617 2.466 4.303 . 0 0 "[ . 1]" 1
538 1 33 TYR H 1 33 TYR HB2 . . 3.680 2.728 2.435 2.880 . 0 0 "[ . 1]" 1
539 1 33 TYR H 1 33 TYR HB3 . . 3.970 3.776 3.581 3.909 . 0 0 "[ . 1]" 1
540 1 33 TYR H 1 69 ILE HB . . 5.110 3.271 2.495 3.642 . 0 0 "[ . 1]" 1
541 1 33 TYR H 1 69 ILE MG . . 3.800 2.646 2.252 3.365 . 0 0 "[ . 1]" 1
542 1 33 TYR H 1 70 SER H . . 4.680 3.510 2.860 3.899 . 0 0 "[ . 1]" 1
543 1 33 TYR H 1 70 SER QB . . 5.100 4.442 4.095 4.962 . 0 0 "[ . 1]" 1
544 1 33 TYR HA 1 34 ALA MB . . 4.440 3.926 3.846 3.986 . 0 0 "[ . 1]" 1
545 1 33 TYR HA 1 69 ILE MG . . 4.520 4.442 4.261 4.520 0.000 9 0 "[ . 1]" 1
546 1 33 TYR HB2 1 69 ILE HB . . 4.680 3.001 2.784 3.222 . 0 0 "[ . 1]" 1
547 1 33 TYR HB2 1 69 ILE MD . . 4.300 3.284 2.804 4.315 0.015 8 0 "[ . 1]" 1
548 1 33 TYR HB2 1 69 ILE QG . . 4.580 4.385 3.922 4.579 . 0 0 "[ . 1]" 1
549 1 33 TYR HB2 1 69 ILE MG . . 3.850 2.214 1.931 2.441 . 0 0 "[ . 1]" 1
550 1 33 TYR HB3 1 34 ALA MB . . 5.150 4.856 4.511 5.092 . 0 0 "[ . 1]" 1
551 1 33 TYR HB3 1 69 ILE MD . . 4.490 3.882 3.269 4.493 0.003 8 0 "[ . 1]" 1
552 1 33 TYR HB3 1 69 ILE MG . . 4.320 3.562 2.921 3.907 . 0 0 "[ . 1]" 1
553 1 34 ALA HA 1 35 LEU H . . 2.790 2.179 2.143 2.193 . 0 0 "[ . 1]" 1
554 1 34 ALA HA 1 35 LEU QD . . 5.440 5.274 5.222 5.294 . 0 0 "[ . 1]" 1
555 1 34 ALA HA 1 69 ILE MG . . 5.500 5.424 5.107 5.510 0.010 8 0 "[ . 1]" 1
556 1 34 ALA HA 1 70 SER H . . 3.810 3.570 3.326 3.745 . 0 0 "[ . 1]" 1
557 1 34 ALA HA 1 70 SER QB . . 3.710 2.388 2.192 2.657 . 0 0 "[ . 1]" 1
558 1 34 ALA HA 1 71 ILE H . . 5.500 5.489 5.410 5.513 0.013 8 0 "[ . 1]" 1
559 1 34 ALA HA 1 71 ILE HA . . 5.420 4.875 4.742 5.050 . 0 0 "[ . 1]" 1
560 1 34 ALA HA 1 72 LYS H . . 5.500 5.173 4.908 5.506 0.006 7 0 "[ . 1]" 1
561 1 34 ALA MB 1 35 LEU H . . 3.670 3.449 3.235 3.496 . 0 0 "[ . 1]" 1
562 1 34 ALA MB 1 70 SER H . . 5.210 4.816 4.577 4.945 . 0 0 "[ . 1]" 1
563 1 34 ALA MB 1 70 SER QB . . 3.870 3.254 2.996 3.466 . 0 0 "[ . 1]" 1
564 1 35 LEU H 1 35 LEU HB2 . . 3.830 2.678 2.181 3.067 . 0 0 "[ . 1]" 1
565 1 35 LEU H 1 35 LEU QB . . 3.110 2.212 2.132 2.262 . 0 0 "[ . 1]" 1
566 1 35 LEU H 1 35 LEU HB3 . . 3.830 2.527 2.295 3.021 . 0 0 "[ . 1]" 1
567 1 35 LEU H 1 35 LEU QD . . 4.330 3.762 3.731 3.809 . 0 0 "[ . 1]" 1
568 1 35 LEU H 1 69 ILE QG . . 5.340 4.457 3.959 4.979 . 0 0 "[ . 1]" 1
569 1 35 LEU H 1 70 SER H . . 4.220 4.001 3.776 4.218 . 0 0 "[ . 1]" 1
570 1 35 LEU H 1 70 SER QB . . 4.260 3.531 3.303 3.852 . 0 0 "[ . 1]" 1
571 1 35 LEU H 1 71 ILE HA . . 4.070 3.236 3.091 3.355 . 0 0 "[ . 1]" 1
572 1 35 LEU H 1 71 ILE HG13 . . 5.500 4.422 4.274 4.526 . 0 0 "[ . 1]" 1
573 1 35 LEU H 1 71 ILE MG . . 5.500 4.928 4.789 5.060 . 0 0 "[ . 1]" 1
574 1 35 LEU H 1 72 LYS H . . 5.010 3.899 3.691 4.242 . 0 0 "[ . 1]" 1
575 1 35 LEU HA 1 35 LEU MD1 . . 4.140 2.620 1.994 3.800 . 0 0 "[ . 1]" 1
576 1 35 LEU HA 1 35 LEU QD . . 3.430 2.107 1.988 2.238 . 0 0 "[ . 1]" 1
577 1 35 LEU HA 1 35 LEU MD2 . . 4.140 3.395 2.089 3.967 . 0 0 "[ . 1]" 1
578 1 35 LEU HA 1 36 GLU H . . 2.820 2.172 2.141 2.230 . 0 0 "[ . 1]" 1
579 1 35 LEU HA 1 71 ILE MG . . 5.500 5.454 5.355 5.503 0.003 8 0 "[ . 1]" 1
580 1 35 LEU HA 1 72 LYS H . . 5.500 4.849 4.708 5.005 . 0 0 "[ . 1]" 1
581 1 35 LEU QB 1 35 LEU QD . . 2.410 1.922 1.864 1.962 . 0 0 "[ . 1]" 1
582 1 35 LEU QB 1 36 GLU H . . 3.940 3.679 3.365 3.928 . 0 0 "[ . 1]" 1
583 1 35 LEU QB 1 71 ILE HA . . 3.350 2.344 1.981 2.618 . 0 0 "[ . 1]" 1
584 1 35 LEU QB 1 71 ILE HG12 . . 5.340 3.110 2.856 3.425 . 0 0 "[ . 1]" 1
585 1 35 LEU QB 1 71 ILE MG . . 4.480 3.259 2.793 3.543 . 0 0 "[ . 1]" 1
586 1 35 LEU HB2 1 36 GLU H . . 4.550 4.231 3.959 4.350 . 0 0 "[ . 1]" 1
587 1 35 LEU HB3 1 36 GLU H . . 4.550 4.108 3.511 4.482 . 0 0 "[ . 1]" 1
588 1 35 LEU QD 1 36 GLU H . . 3.170 2.397 1.838 3.116 . 0 0 "[ . 1]" 1
589 1 35 LEU QD 1 36 GLU HA . . 4.290 3.937 3.473 4.287 . 0 0 "[ . 1]" 1
590 1 35 LEU QD 1 36 GLU QG . . 4.840 4.024 3.358 4.839 . 0 0 "[ . 1]" 1
591 1 35 LEU QD 1 54 VAL HB . . 4.010 3.323 2.979 3.868 . 0 0 "[ . 1]" 1
592 1 35 LEU QD 1 71 ILE HA . . 3.530 3.353 2.581 3.520 . 0 0 "[ . 1]" 1
593 1 35 LEU QD 1 71 ILE MG . . 3.010 2.605 2.142 3.006 . 0 0 "[ . 1]" 1
594 1 35 LEU QD 1 72 LYS H . . 4.370 4.155 3.545 4.374 0.004 3 0 "[ . 1]" 1
595 1 35 LEU MD1 1 36 GLU HA . . 5.260 4.629 4.208 5.298 0.038 7 0 "[ . 1]" 1
596 1 35 LEU MD1 1 71 ILE HA . . 4.910 4.449 3.551 4.908 . 0 0 "[ . 1]" 1
597 1 35 LEU MD1 1 72 LYS H . . 5.200 4.981 4.449 5.211 0.011 3 0 "[ . 1]" 1
598 1 35 LEU MD2 1 36 GLU HA . . 5.260 4.682 3.521 5.282 0.022 3 0 "[ . 1]" 1
599 1 35 LEU MD2 1 71 ILE HA . . 4.910 3.651 2.594 4.293 . 0 0 "[ . 1]" 1
600 1 35 LEU MD2 1 72 LYS H . . 5.200 4.467 3.639 4.762 . 0 0 "[ . 1]" 1
601 1 35 LEU HG 1 36 GLU H . . 4.170 3.541 2.509 3.931 . 0 0 "[ . 1]" 1
602 1 36 GLU H 1 36 GLU QB . . 3.630 2.886 2.509 3.191 . 0 0 "[ . 1]" 1
603 1 36 GLU H 1 36 GLU QG . . 3.750 2.536 2.004 3.784 0.034 7 0 "[ . 1]" 1
604 1 36 GLU H 1 37 ILE H . . 4.920 4.177 3.939 4.448 . 0 0 "[ . 1]" 1
605 1 36 GLU HA 1 37 ILE H . . 2.710 2.149 2.138 2.175 . 0 0 "[ . 1]" 1
606 1 36 GLU HA 1 37 ILE HB . . 4.750 4.628 4.503 4.706 . 0 0 "[ . 1]" 1
607 1 36 GLU HA 1 37 ILE MG . . 4.480 3.791 3.543 3.901 . 0 0 "[ . 1]" 1
608 1 36 GLU HA 1 71 ILE HA . . 5.410 4.752 4.508 5.030 . 0 0 "[ . 1]" 1
609 1 36 GLU HA 1 71 ILE MG . . 5.500 4.475 4.282 4.851 . 0 0 "[ . 1]" 1
610 1 36 GLU HA 1 72 LYS H . . 3.680 3.098 2.864 3.273 . 0 0 "[ . 1]" 1
611 1 36 GLU HA 1 72 LYS HB2 . . 4.250 3.879 3.518 4.207 . 0 0 "[ . 1]" 1
612 1 36 GLU HA 1 72 LYS HB3 . . 3.990 2.263 1.993 2.588 . 0 0 "[ . 1]" 1
613 1 36 GLU HA 1 72 LYS QD . . 4.390 3.443 3.128 3.685 . 0 0 "[ . 1]" 1
614 1 36 GLU HA 1 72 LYS HG2 . . 5.500 4.208 3.911 4.578 . 0 0 "[ . 1]" 1
615 1 36 GLU HA 1 74 ILE HB . . 5.500 5.478 5.269 5.510 0.010 6 0 "[ . 1]" 1
616 1 36 GLU HA 1 74 ILE MD . . 4.250 2.637 2.415 2.968 . 0 0 "[ . 1]" 1
617 1 36 GLU HA 1 74 ILE HG13 . . 5.500 5.255 4.986 5.488 . 0 0 "[ . 1]" 1
618 1 36 GLU QB 1 37 ILE H . . 3.640 3.412 3.157 3.607 . 0 0 "[ . 1]" 1
619 1 36 GLU QB 1 74 ILE MD . . 2.410 2.169 1.910 2.411 0.001 7 0 "[ . 1]" 1
620 1 36 GLU QG 1 37 ILE H . . 4.690 4.374 4.156 4.473 . 0 0 "[ . 1]" 1
621 1 37 ILE H 1 37 ILE HB . . 3.610 2.971 2.818 3.157 . 0 0 "[ . 1]" 1
622 1 37 ILE H 1 37 ILE MD . . 4.820 4.570 4.432 4.714 . 0 0 "[ . 1]" 1
623 1 37 ILE H 1 37 ILE MG . . 3.040 2.009 1.956 2.085 . 0 0 "[ . 1]" 1
624 1 37 ILE H 1 71 ILE HA . . 5.500 5.452 5.361 5.509 0.009 10 0 "[ . 1]" 1
625 1 37 ILE H 1 71 ILE MG . . 4.480 4.140 4.018 4.327 . 0 0 "[ . 1]" 1
626 1 37 ILE H 1 72 LYS H . . 4.270 4.090 3.790 4.281 0.011 5 0 "[ . 1]" 1
627 1 37 ILE H 1 72 LYS HB3 . . 4.040 3.700 3.305 4.038 . 0 0 "[ . 1]" 1
628 1 37 ILE H 1 72 LYS HG2 . . 5.500 4.698 4.474 5.130 . 0 0 "[ . 1]" 1
629 1 37 ILE H 1 73 THR HA . . 3.890 3.837 3.581 3.898 0.008 5 0 "[ . 1]" 1
630 1 37 ILE H 1 74 ILE HG13 . . 5.500 5.061 4.621 5.369 . 0 0 "[ . 1]" 1
631 1 37 ILE HA 1 37 ILE MD . . 4.240 3.367 2.785 3.764 . 0 0 "[ . 1]" 1
632 1 37 ILE HA 1 37 ILE QG . . 3.620 2.308 2.208 2.396 . 0 0 "[ . 1]" 1
633 1 37 ILE HA 1 38 SER H . . 2.880 2.190 2.143 2.239 . 0 0 "[ . 1]" 1
634 1 37 ILE HA 1 38 SER QB . . 4.750 4.193 3.929 4.568 . 0 0 "[ . 1]" 1
635 1 37 ILE HB 1 37 ILE MD . . 3.170 2.208 2.054 2.410 . 0 0 "[ . 1]" 1
636 1 37 ILE HB 1 38 SER H . . 4.420 4.127 3.987 4.215 . 0 0 "[ . 1]" 1
637 1 37 ILE MD 1 38 SER H . . 4.290 3.878 3.406 4.275 . 0 0 "[ . 1]" 1
638 1 37 ILE QG 1 38 SER H . . 3.340 2.263 2.078 2.579 . 0 0 "[ . 1]" 1
639 1 37 ILE QG 1 38 SER QB . . 5.180 4.318 4.208 4.496 . 0 0 "[ . 1]" 1
640 1 37 ILE QG 1 39 ASP H . . 5.330 3.991 3.427 4.476 . 0 0 "[ . 1]" 1
641 1 37 ILE QG 1 39 ASP QB . . 3.980 3.259 2.689 3.777 . 0 0 "[ . 1]" 1
642 1 37 ILE MG 1 38 SER HA . . 5.500 3.886 3.686 4.090 . 0 0 "[ . 1]" 1
643 1 37 ILE MG 1 39 ASP H . . 5.140 4.409 3.854 4.893 . 0 0 "[ . 1]" 1
644 1 37 ILE MG 1 39 ASP QB . . 5.340 4.529 3.532 5.204 . 0 0 "[ . 1]" 1
645 1 37 ILE MG 1 71 ILE MG . . 3.500 3.045 2.721 3.391 . 0 0 "[ . 1]" 1
646 1 37 ILE MG 1 73 THR HA . . 3.710 2.604 2.180 2.925 . 0 0 "[ . 1]" 1
647 1 37 ILE MG 1 73 THR HB . . 4.400 4.145 3.672 4.394 . 0 0 "[ . 1]" 1
648 1 37 ILE MG 1 73 THR MG . . 3.990 3.563 3.145 3.828 . 0 0 "[ . 1]" 1
649 1 37 ILE MG 1 74 ILE H . . 3.750 2.856 2.375 3.134 . 0 0 "[ . 1]" 1
650 1 38 SER H 1 38 SER QB . . 3.130 2.642 2.404 2.854 . 0 0 "[ . 1]" 1
651 1 38 SER H 1 39 ASP H . . 5.500 4.161 3.989 4.314 . 0 0 "[ . 1]" 1
652 1 38 SER HA 1 39 ASP H . . 3.510 2.158 2.140 2.187 . 0 0 "[ . 1]" 1
653 1 38 SER HA 1 74 ILE H . . 3.640 3.458 3.074 3.643 0.003 3 0 "[ . 1]" 1
654 1 38 SER HA 1 74 ILE HB . . 3.560 2.400 2.032 2.783 . 0 0 "[ . 1]" 1
655 1 38 SER HA 1 74 ILE MD . . 4.850 3.697 3.399 4.007 . 0 0 "[ . 1]" 1
656 1 38 SER HA 1 74 ILE HG13 . . 5.500 5.255 4.883 5.492 . 0 0 "[ . 1]" 1
657 1 38 SER HA 1 74 ILE MG . . 4.350 3.194 3.013 3.598 . 0 0 "[ . 1]" 1
658 1 38 SER QB 1 74 ILE H . . 5.340 4.928 4.447 5.338 . 0 0 "[ . 1]" 1
659 1 38 SER HB2 1 74 ILE HB . . 5.500 3.362 2.047 4.861 . 0 0 "[ . 1]" 1
660 1 38 SER HB2 1 74 ILE MG . . 5.500 3.308 1.966 4.648 . 0 0 "[ . 1]" 1
661 1 38 SER HB3 1 74 ILE HB . . 5.500 3.682 3.130 4.824 . 0 0 "[ . 1]" 1
662 1 38 SER HB3 1 74 ILE MG . . 5.500 3.368 2.400 4.636 . 0 0 "[ . 1]" 1
663 1 39 ASP H 1 74 ILE H . . 5.170 4.418 3.952 4.715 . 0 0 "[ . 1]" 1
664 1 39 ASP H 1 74 ILE MG . . 4.780 4.342 3.929 4.768 . 0 0 "[ . 1]" 1
665 1 39 ASP HA 1 40 ALA H . . 3.170 2.531 2.327 2.671 . 0 0 "[ . 1]" 1
666 1 39 ASP HA 1 41 GLN HE22 . . 5.500 5.433 5.152 5.520 0.020 6 0 "[ . 1]" 1
667 1 39 ASP QB 1 41 GLN H . . 4.490 2.553 2.333 2.827 . 0 0 "[ . 1]" 1
668 1 39 ASP QB 1 41 GLN HE21 . . 4.240 2.389 1.944 3.724 . 0 0 "[ . 1]" 1
669 1 39 ASP QB 1 41 GLN HE22 . . 4.370 3.309 3.072 4.272 . 0 0 "[ . 1]" 1
670 1 39 ASP QB 1 41 GLN QG . . 4.450 2.927 1.976 4.403 . 0 0 "[ . 1]" 1
671 1 39 ASP QB 1 42 PHE H . . 4.280 3.771 3.178 4.281 0.001 10 0 "[ . 1]" 1
672 1 40 ALA H 1 40 ALA MB . . 3.260 2.385 2.169 2.548 . 0 0 "[ . 1]" 1
673 1 40 ALA H 1 42 PHE H . . 5.150 4.500 4.013 4.882 . 0 0 "[ . 1]" 1
674 1 40 ALA HA 1 41 GLN HE21 . . 5.500 5.493 5.422 5.523 0.023 1 0 "[ . 1]" 1
675 1 40 ALA HA 1 42 PHE H . . 4.290 3.762 3.151 4.202 . 0 0 "[ . 1]" 1
676 1 40 ALA HA 1 43 ASN HB2 . . 4.710 4.391 4.062 4.715 0.005 4 0 "[ . 1]" 1
677 1 40 ALA HA 1 43 ASN HD21 . . 4.110 2.977 2.111 4.098 . 0 0 "[ . 1]" 1
678 1 40 ALA HA 1 43 ASN QD . . 3.450 2.605 2.013 3.436 . 0 0 "[ . 1]" 1
679 1 40 ALA HA 1 43 ASN HD22 . . 4.110 3.045 2.322 3.905 . 0 0 "[ . 1]" 1
680 1 40 ALA MB 1 41 GLN H . . 3.880 3.613 3.495 3.691 . 0 0 "[ . 1]" 1
681 1 40 ALA MB 1 41 GLN HE21 . . 4.870 4.533 4.088 4.876 0.006 10 0 "[ . 1]" 1
682 1 40 ALA MB 1 42 PHE H . . 5.060 4.792 4.285 5.038 . 0 0 "[ . 1]" 1
683 1 40 ALA MB 1 43 ASN HB2 . . 4.810 4.523 3.659 4.812 0.002 6 0 "[ . 1]" 1
684 1 40 ALA MB 1 43 ASN HD21 . . 4.090 3.174 2.322 3.748 . 0 0 "[ . 1]" 1
685 1 40 ALA MB 1 43 ASN QD . . 3.520 2.869 2.177 3.291 . 0 0 "[ . 1]" 1
686 1 40 ALA MB 1 43 ASN HD22 . . 4.090 3.363 2.631 4.093 0.003 4 0 "[ . 1]" 1
687 1 41 GLN H 1 41 GLN HB2 . . 3.760 3.105 2.227 3.758 . 0 0 "[ . 1]" 1
688 1 41 GLN H 1 41 GLN QB . . 3.250 2.682 2.203 2.993 . 0 0 "[ . 1]" 1
689 1 41 GLN H 1 41 GLN HB3 . . 3.760 3.360 3.027 3.726 . 0 0 "[ . 1]" 1
690 1 41 GLN H 1 41 GLN HE21 . . 5.080 3.287 2.840 3.500 . 0 0 "[ . 1]" 1
691 1 41 GLN H 1 41 GLN HE22 . . 4.890 4.823 4.549 4.894 0.004 8 0 "[ . 1]" 1
692 1 41 GLN H 1 41 GLN HG2 . . 4.430 3.087 1.941 4.432 0.002 10 0 "[ . 1]" 1
693 1 41 GLN H 1 41 GLN QG . . 3.550 2.419 1.930 3.253 . 0 0 "[ . 1]" 1
694 1 41 GLN H 1 41 GLN HG3 . . 4.430 3.179 2.629 3.487 . 0 0 "[ . 1]" 1
695 1 41 GLN H 1 42 PHE H . . 3.570 1.987 1.881 2.349 . 0 0 "[ . 1]" 1
696 1 41 GLN H 1 42 PHE QB . . 5.340 4.022 3.818 4.263 . 0 0 "[ . 1]" 1
697 1 41 GLN H 1 43 ASN H . . 4.720 3.945 3.419 4.194 . 0 0 "[ . 1]" 1
698 1 41 GLN H 1 43 ASN HB2 . . 5.470 5.146 4.791 5.467 . 0 0 "[ . 1]" 1
699 1 41 GLN HA 1 41 GLN HE21 . . 5.470 4.484 4.094 5.024 . 0 0 "[ . 1]" 1
700 1 41 GLN HA 1 41 GLN HG2 . . 3.990 3.235 2.824 3.631 . 0 0 "[ . 1]" 1
701 1 41 GLN HA 1 41 GLN QG . . 3.380 2.881 2.234 3.339 . 0 0 "[ . 1]" 1
702 1 41 GLN HA 1 41 GLN HG3 . . 3.990 3.277 2.338 3.930 . 0 0 "[ . 1]" 1
703 1 41 GLN HA 1 43 ASN H . . 4.120 3.543 3.429 3.774 . 0 0 "[ . 1]" 1
704 1 41 GLN QB 1 41 GLN HE22 . . 3.990 3.459 3.200 3.726 . 0 0 "[ . 1]" 1
705 1 41 GLN QB 1 42 PHE H . . 4.030 3.353 2.987 3.639 . 0 0 "[ . 1]" 1
706 1 41 GLN HB2 1 42 PHE H . . 4.650 3.606 3.075 4.020 . 0 0 "[ . 1]" 1
707 1 41 GLN HB3 1 42 PHE H . . 4.650 4.069 3.878 4.156 . 0 0 "[ . 1]" 1
708 1 41 GLN HE22 1 41 GLN QG . . 3.540 3.334 3.258 3.417 . 0 0 "[ . 1]" 1
709 1 41 GLN QG 1 42 PHE H . . 5.340 3.341 2.232 4.603 . 0 0 "[ . 1]" 1
710 1 42 PHE H 1 42 PHE HB2 . . 3.860 2.950 2.269 3.825 . 0 0 "[ . 1]" 1
711 1 42 PHE H 1 42 PHE QB . . 3.060 2.439 2.243 2.817 . 0 0 "[ . 1]" 1
712 1 42 PHE H 1 42 PHE HB3 . . 3.860 3.158 2.299 3.679 . 0 0 "[ . 1]" 1
713 1 42 PHE H 1 43 ASN H . . 3.360 2.729 2.315 3.122 . 0 0 "[ . 1]" 1
714 1 42 PHE H 1 45 LEU QD . . 5.440 4.381 4.137 4.847 . 0 0 "[ . 1]" 1
715 1 42 PHE HA 1 45 LEU HB2 . . 4.340 3.035 2.120 3.544 . 0 0 "[ . 1]" 1
716 1 42 PHE HA 1 45 LEU HB3 . . 4.750 4.471 3.763 4.756 0.006 3 0 "[ . 1]" 1
717 1 42 PHE HA 1 45 LEU MD1 . . 4.620 2.261 1.934 4.237 . 0 0 "[ . 1]" 1
718 1 42 PHE HA 1 45 LEU QD . . 3.350 2.125 1.932 2.924 . 0 0 "[ . 1]" 1
719 1 42 PHE HA 1 45 LEU MD2 . . 4.620 4.338 2.980 4.626 0.006 4 0 "[ . 1]" 1
720 1 42 PHE HA 1 50 GLN HE21 . . 5.240 4.129 2.919 5.089 . 0 0 "[ . 1]" 1
721 1 42 PHE QB 1 45 LEU H . . 5.100 4.511 4.020 4.932 . 0 0 "[ . 1]" 1
722 1 42 PHE QB 1 45 LEU HB2 . . 5.340 3.239 2.458 3.932 . 0 0 "[ . 1]" 1
723 1 42 PHE QB 1 45 LEU QD . . 4.550 3.130 2.092 4.132 . 0 0 "[ . 1]" 1
724 1 42 PHE QB 1 50 GLN HA . . 5.150 4.285 3.776 4.840 . 0 0 "[ . 1]" 1
725 1 42 PHE QB 1 50 GLN HE21 . . 5.020 3.001 2.023 3.881 . 0 0 "[ . 1]" 1
726 1 42 PHE QB 1 50 GLN HE22 . . 4.520 4.102 3.245 4.523 0.003 8 0 "[ . 1]" 1
727 1 42 PHE QB 1 50 GLN HG3 . . 4.660 3.167 2.690 4.180 . 0 0 "[ . 1]" 1
728 1 42 PHE QB 1 73 THR HA . . 5.340 5.039 4.646 5.369 0.029 10 0 "[ . 1]" 1
729 1 42 PHE QB 1 73 THR HB . . 5.030 3.773 3.420 4.157 . 0 0 "[ . 1]" 1
730 1 42 PHE QB 1 73 THR MG . . 5.260 4.303 4.176 4.489 . 0 0 "[ . 1]" 1
731 1 42 PHE HB2 1 50 GLN HG2 . . 4.260 3.039 1.994 4.269 0.009 1 0 "[ . 1]" 1
732 1 42 PHE HB3 1 50 GLN HG2 . . 4.260 2.680 2.000 3.564 . 0 0 "[ . 1]" 1
733 1 43 ASN H 1 43 ASN HB2 . . 3.050 2.228 2.085 2.291 . 0 0 "[ . 1]" 1
734 1 43 ASN H 1 43 ASN HB3 . . 3.980 3.510 3.372 3.559 . 0 0 "[ . 1]" 1
735 1 43 ASN H 1 44 GLY H . . 4.440 3.589 2.237 4.451 0.011 4 0 "[ . 1]" 1
736 1 43 ASN H 1 44 GLY QA . . 5.290 4.818 4.235 5.267 . 0 0 "[ . 1]" 1
737 1 43 ASN HA 1 44 GLY QA . . 4.640 4.071 3.897 4.347 . 0 0 "[ . 1]" 1
738 1 43 ASN HB2 1 43 ASN QD . . 3.200 2.187 2.096 2.481 . 0 0 "[ . 1]" 1
739 1 43 ASN HB2 1 43 ASN HD22 . . 3.780 3.472 3.434 3.601 . 0 0 "[ . 1]" 1
740 1 43 ASN HB2 1 44 GLY H . . 4.610 3.905 2.989 4.558 . 0 0 "[ . 1]" 1
741 1 43 ASN HB3 1 44 GLY QA . . 4.440 4.000 3.660 4.334 . 0 0 "[ . 1]" 1
742 1 43 ASN QD 1 75 SER QB . . 5.020 3.426 1.942 5.027 0.007 10 0 "[ . 1]" 1
743 1 44 GLY H 1 45 LEU H . . 4.690 2.393 1.901 3.356 . 0 0 "[ . 1]" 1
744 1 44 GLY H 1 45 LEU HB2 . . 5.500 4.324 3.737 4.606 . 0 0 "[ . 1]" 1
745 1 44 GLY H 1 45 LEU QD . . 4.970 4.380 2.980 4.974 0.004 5 0 "[ . 1]" 1
746 1 44 GLY HA2 1 45 LEU HA . . 5.060 4.601 4.355 4.890 . 0 0 "[ . 1]" 1
747 1 44 GLY HA3 1 45 LEU HA . . 5.060 4.472 4.376 4.631 . 0 0 "[ . 1]" 1
748 1 45 LEU H 1 45 LEU HB2 . . 3.130 2.462 2.262 2.830 . 0 0 "[ . 1]" 1
749 1 45 LEU H 1 45 LEU HB3 . . 3.900 3.655 3.536 3.879 . 0 0 "[ . 1]" 1
750 1 45 LEU H 1 45 LEU QD . . 3.920 3.279 1.979 3.753 . 0 0 "[ . 1]" 1
751 1 45 LEU H 1 45 LEU HG . . 3.420 3.055 2.526 3.552 0.132 6 0 "[ . 1]" 1
752 1 45 LEU H 1 46 SER H . . 4.690 4.517 4.364 4.641 . 0 0 "[ . 1]" 1
753 1 45 LEU H 1 50 GLN HE22 . . 4.810 4.265 3.590 4.700 . 0 0 "[ . 1]" 1
754 1 45 LEU H 1 50 GLN HG2 . . 5.500 5.396 4.914 5.507 0.007 6 0 "[ . 1]" 1
755 1 45 LEU H 1 50 GLN HG3 . . 4.980 4.789 4.715 4.992 0.012 10 0 "[ . 1]" 1
756 1 45 LEU HA 1 45 LEU MD1 . . 4.010 3.730 2.525 3.902 . 0 0 "[ . 1]" 1
757 1 45 LEU HA 1 45 LEU QD . . 3.280 2.179 1.898 2.431 . 0 0 "[ . 1]" 1
758 1 45 LEU HA 1 45 LEU MD2 . . 4.010 2.199 1.960 2.456 . 0 0 "[ . 1]" 1
759 1 45 LEU HA 1 46 SER H . . 2.830 2.499 2.417 2.635 . 0 0 "[ . 1]" 1
760 1 45 LEU HA 1 46 SER HB2 . . 4.870 4.402 4.261 4.871 0.001 2 0 "[ . 1]" 1
761 1 45 LEU HA 1 46 SER QB . . 4.070 4.042 3.998 4.073 0.003 2 0 "[ . 1]" 1
762 1 45 LEU HA 1 46 SER HB3 . . 4.870 4.759 4.368 4.868 . 0 0 "[ . 1]" 1
763 1 45 LEU HA 1 49 ASN QD . . 2.950 2.625 2.296 2.953 0.003 8 0 "[ . 1]" 1
764 1 45 LEU HA 1 50 GLN HG3 . . 5.090 4.832 4.584 5.043 . 0 0 "[ . 1]" 1
765 1 45 LEU HB2 1 46 SER H . . 4.220 3.546 3.234 3.821 . 0 0 "[ . 1]" 1
766 1 45 LEU HB2 1 49 ASN HB2 . . 4.410 3.834 3.719 4.240 . 0 0 "[ . 1]" 1
767 1 45 LEU HB2 1 49 ASN HB3 . . 5.500 4.709 4.268 5.246 . 0 0 "[ . 1]" 1
768 1 45 LEU HB2 1 50 GLN H . . 4.780 4.590 4.458 4.785 0.005 7 0 "[ . 1]" 1
769 1 45 LEU HB2 1 50 GLN HA . . 4.620 4.534 4.320 4.623 0.003 9 0 "[ . 1]" 1
770 1 45 LEU HB2 1 50 GLN HE21 . . 5.100 2.184 1.947 2.556 . 0 0 "[ . 1]" 1
771 1 45 LEU HB2 1 50 GLN HE22 . . 4.050 3.759 3.427 4.048 . 0 0 "[ . 1]" 1
772 1 45 LEU HB2 1 50 GLN HG2 . . 3.620 3.425 2.954 3.620 0.000 5 0 "[ . 1]" 1
773 1 45 LEU HB2 1 50 GLN HG3 . . 4.000 2.532 2.395 2.633 . 0 0 "[ . 1]" 1
774 1 45 LEU HB3 1 46 SER H . . 3.660 2.211 1.948 2.429 . 0 0 "[ . 1]" 1
775 1 45 LEU HB3 1 49 ASN HB2 . . 3.300 2.098 1.997 2.493 . 0 0 "[ . 1]" 1
776 1 45 LEU HB3 1 49 ASN HB3 . . 4.050 3.119 2.783 3.675 . 0 0 "[ . 1]" 1
777 1 45 LEU HB3 1 50 GLN H . . 3.610 3.485 3.113 3.619 0.009 3 0 "[ . 1]" 1
778 1 45 LEU HB3 1 50 GLN HA . . 4.280 4.128 3.751 4.291 0.011 4 0 "[ . 1]" 1
779 1 45 LEU HB3 1 50 GLN HE22 . . 4.670 4.396 3.984 4.677 0.007 8 0 "[ . 1]" 1
780 1 45 LEU HB3 1 50 GLN HG2 . . 4.400 4.063 3.582 4.380 . 0 0 "[ . 1]" 1
781 1 45 LEU HB3 1 50 GLN HG3 . . 3.760 2.503 1.993 2.770 . 0 0 "[ . 1]" 1
782 1 45 LEU QD 1 46 SER H . . 3.750 2.919 2.692 3.213 . 0 0 "[ . 1]" 1
783 1 45 LEU QD 1 49 ASN H . . 5.440 4.361 4.233 4.559 . 0 0 "[ . 1]" 1
784 1 45 LEU QD 1 49 ASN HB2 . . 3.550 2.388 2.122 2.616 . 0 0 "[ . 1]" 1
785 1 45 LEU QD 1 49 ASN HB3 . . 3.880 2.091 1.912 2.555 . 0 0 "[ . 1]" 1
786 1 45 LEU QD 1 50 GLN H . . 4.010 3.845 3.330 4.011 0.001 7 0 "[ . 1]" 1
787 1 45 LEU QD 1 50 GLN HA . . 3.530 3.175 3.065 3.269 . 0 0 "[ . 1]" 1
788 1 45 LEU QD 1 50 GLN HG3 . . 3.680 2.824 2.519 3.038 . 0 0 "[ . 1]" 1
789 1 45 LEU QD 1 53 LEU QB . . 5.240 3.662 3.465 3.968 . 0 0 "[ . 1]" 1
790 1 45 LEU MD1 1 49 ASN HB3 . . 4.670 3.077 1.948 4.074 . 0 0 "[ . 1]" 1
791 1 45 LEU MD1 1 50 GLN H . . 5.500 4.188 3.357 4.785 . 0 0 "[ . 1]" 1
792 1 45 LEU MD2 1 49 ASN HB3 . . 4.670 2.377 1.919 4.239 . 0 0 "[ . 1]" 1
793 1 45 LEU MD2 1 50 GLN H . . 5.500 4.683 4.154 5.525 0.025 6 0 "[ . 1]" 1
794 1 45 LEU HG 1 46 SER H . . 5.010 4.626 4.433 4.792 . 0 0 "[ . 1]" 1
795 1 45 LEU HG 1 50 GLN HG3 . . 5.500 4.601 3.404 4.868 . 0 0 "[ . 1]" 1
796 1 46 SER H 1 46 SER HB2 . . 3.670 2.936 2.815 3.314 . 0 0 "[ . 1]" 1
797 1 46 SER H 1 46 SER QB . . 3.190 2.410 2.261 2.522 . 0 0 "[ . 1]" 1
798 1 46 SER H 1 46 SER HB3 . . 3.670 2.579 2.302 2.721 . 0 0 "[ . 1]" 1
799 1 46 SER H 1 49 ASN H . . 4.410 3.244 3.101 3.444 . 0 0 "[ . 1]" 1
800 1 46 SER H 1 49 ASN HB2 . . 2.980 2.016 1.944 2.184 . 0 0 "[ . 1]" 1
801 1 46 SER H 1 49 ASN HB3 . . 3.730 3.548 3.378 3.698 . 0 0 "[ . 1]" 1
802 1 46 SER H 1 49 ASN QD . . 4.570 2.074 1.877 2.578 . 0 0 "[ . 1]" 1
803 1 46 SER H 1 50 GLN H . . 3.830 3.728 3.497 3.836 0.006 10 0 "[ . 1]" 1
804 1 46 SER HA 1 47 LEU H . . 3.230 2.458 2.353 2.563 . 0 0 "[ . 1]" 1
805 1 46 SER HA 1 47 LEU HA . . 4.490 4.296 4.292 4.303 . 0 0 "[ . 1]" 1
806 1 46 SER HA 1 47 LEU MD2 . . 4.040 3.272 3.186 3.317 . 0 0 "[ . 1]" 1
807 1 46 SER HA 1 48 ILE H . . 4.310 4.178 4.105 4.312 0.002 6 0 "[ . 1]" 1
808 1 46 SER HA 1 50 GLN HE22 . . 5.500 3.471 2.917 4.280 . 0 0 "[ . 1]" 1
809 1 46 SER QB 1 47 LEU H . . 3.300 3.168 2.996 3.307 0.007 6 0 "[ . 1]" 1
810 1 46 SER QB 1 48 ILE H . . 3.610 2.818 2.578 3.377 . 0 0 "[ . 1]" 1
811 1 46 SER QB 1 49 ASN H . . 4.850 2.606 2.427 2.904 . 0 0 "[ . 1]" 1
812 1 46 SER QB 1 49 ASN QD . . 4.970 2.782 2.301 3.344 . 0 0 "[ . 1]" 1
813 1 46 SER HB2 1 47 LEU H . . 4.060 3.723 3.469 3.876 . 0 0 "[ . 1]" 1
814 1 46 SER HB2 1 48 ILE H . . 4.400 4.212 4.084 4.403 0.003 6 0 "[ . 1]" 1
815 1 46 SER HB3 1 47 LEU H . . 4.060 3.463 3.172 3.995 . 0 0 "[ . 1]" 1
816 1 46 SER HB3 1 48 ILE H . . 4.400 2.876 2.602 3.602 . 0 0 "[ . 1]" 1
817 1 47 LEU H 1 47 LEU HB2 . . 3.700 2.269 2.247 2.293 . 0 0 "[ . 1]" 1
818 1 47 LEU H 1 47 LEU QB . . 3.050 2.244 2.223 2.266 . 0 0 "[ . 1]" 1
819 1 47 LEU H 1 47 LEU HB3 . . 3.700 3.538 3.528 3.547 . 0 0 "[ . 1]" 1
820 1 47 LEU H 1 47 LEU MD1 . . 3.680 3.662 3.636 3.680 0.000 5 0 "[ . 1]" 1
821 1 47 LEU H 1 47 LEU MD2 . . 5.130 2.032 1.962 2.098 . 0 0 "[ . 1]" 1
822 1 47 LEU H 1 47 LEU HG . . 4.400 3.904 3.873 3.931 . 0 0 "[ . 1]" 1
823 1 47 LEU H 1 48 ILE H . . 3.760 2.716 2.620 2.795 . 0 0 "[ . 1]" 1
824 1 47 LEU H 1 50 GLN HE22 . . 5.250 4.454 3.718 5.142 . 0 0 "[ . 1]" 1
825 1 47 LEU HA 1 47 LEU MD1 . . 3.280 2.064 1.968 2.111 . 0 0 "[ . 1]" 1
826 1 47 LEU HA 1 47 LEU MD2 . . 3.730 2.603 2.542 2.639 . 0 0 "[ . 1]" 1
827 1 47 LEU HA 1 47 LEU HG . . 3.920 3.693 3.683 3.698 . 0 0 "[ . 1]" 1
828 1 47 LEU HA 1 50 GLN H . . 3.960 3.772 3.704 3.968 0.008 6 0 "[ . 1]" 1
829 1 47 LEU HA 1 50 GLN HB2 . . 3.900 2.860 2.540 3.086 . 0 0 "[ . 1]" 1
830 1 47 LEU HA 1 50 GLN HB3 . . 4.660 4.430 4.056 4.662 0.002 6 0 "[ . 1]" 1
831 1 47 LEU HA 1 50 GLN HE21 . . 5.500 4.905 3.892 5.431 . 0 0 "[ . 1]" 1
832 1 47 LEU HA 1 50 GLN HE22 . . 4.670 4.133 3.342 4.598 . 0 0 "[ . 1]" 1
833 1 47 LEU HA 1 50 GLN HG3 . . 4.880 4.603 4.281 4.884 0.004 6 0 "[ . 1]" 1
834 1 47 LEU HA 1 51 HIS H . . 4.910 4.204 3.962 4.438 . 0 0 "[ . 1]" 1
835 1 47 LEU HA 1 73 THR MG . . 5.100 3.257 2.597 3.677 . 0 0 "[ . 1]" 1
836 1 47 LEU QB 1 47 LEU MD1 . . 2.840 2.250 2.230 2.282 . 0 0 "[ . 1]" 1
837 1 47 LEU QB 1 47 LEU MD2 . . 3.020 2.248 2.222 2.276 . 0 0 "[ . 1]" 1
838 1 47 LEU HB2 1 48 ILE H . . 4.160 3.003 2.790 3.108 . 0 0 "[ . 1]" 1
839 1 47 LEU HB3 1 48 ILE H . . 4.160 3.636 3.440 3.705 . 0 0 "[ . 1]" 1
840 1 47 LEU MD1 1 73 THR H . . 4.770 4.326 3.764 4.622 . 0 0 "[ . 1]" 1
841 1 47 LEU MD1 1 73 THR HB . . 5.320 4.423 3.839 4.858 . 0 0 "[ . 1]" 1
842 1 47 LEU MD1 1 73 THR MG . . 3.100 2.828 2.454 3.068 . 0 0 "[ . 1]" 1
843 1 47 LEU MD2 1 48 ILE H . . 4.570 4.109 4.069 4.162 . 0 0 "[ . 1]" 1
844 1 47 LEU MD2 1 50 GLN HE21 . . 5.400 4.829 4.180 5.398 . 0 0 "[ . 1]" 1
845 1 47 LEU MD2 1 50 GLN HE22 . . 5.080 3.511 2.908 4.103 . 0 0 "[ . 1]" 1
846 1 47 LEU HG 1 48 ILE H . . 5.470 5.324 5.141 5.409 . 0 0 "[ . 1]" 1
847 1 48 ILE H 1 48 ILE HB . . 2.840 2.534 2.494 2.585 . 0 0 "[ . 1]" 1
848 1 48 ILE H 1 48 ILE MD . . 3.600 3.276 3.204 3.340 . 0 0 "[ . 1]" 1
849 1 48 ILE H 1 48 ILE HG12 . . 3.100 2.244 2.123 2.352 . 0 0 "[ . 1]" 1
850 1 48 ILE H 1 48 ILE HG13 . . 4.080 3.702 3.616 3.779 . 0 0 "[ . 1]" 1
851 1 48 ILE H 1 48 ILE MG . . 4.470 3.779 3.768 3.794 . 0 0 "[ . 1]" 1
852 1 48 ILE H 1 49 ASN H . . 3.460 2.503 2.375 2.626 . 0 0 "[ . 1]" 1
853 1 48 ILE H 1 50 GLN H . . 4.620 3.858 3.564 4.210 . 0 0 "[ . 1]" 1
854 1 48 ILE HA 1 48 ILE MD . . 4.260 2.021 1.952 2.120 . 0 0 "[ . 1]" 1
855 1 48 ILE HA 1 48 ILE HG12 . . 3.580 3.110 3.067 3.175 . 0 0 "[ . 1]" 1
856 1 48 ILE HA 1 48 ILE HG13 . . 4.250 3.726 3.697 3.756 . 0 0 "[ . 1]" 1
857 1 48 ILE HA 1 50 GLN H . . 4.670 4.339 3.962 4.674 0.004 6 0 "[ . 1]" 1
858 1 48 ILE HA 1 51 HIS H . . 3.820 3.510 3.336 3.616 . 0 0 "[ . 1]" 1
859 1 48 ILE HA 1 51 HIS HB2 . . 4.030 3.458 2.975 3.763 . 0 0 "[ . 1]" 1
860 1 48 ILE HA 1 51 HIS QB . . 3.490 3.025 2.863 3.255 . 0 0 "[ . 1]" 1
861 1 48 ILE HA 1 51 HIS HB3 . . 4.030 3.385 3.085 3.803 . 0 0 "[ . 1]" 1
862 1 48 ILE HA 1 52 LYS H . . 4.730 4.125 3.902 4.358 . 0 0 "[ . 1]" 1
863 1 48 ILE HB 1 49 ASN H . . 3.370 2.478 2.224 2.612 . 0 0 "[ . 1]" 1
864 1 48 ILE HB 1 50 GLN H . . 5.400 4.879 4.514 5.160 . 0 0 "[ . 1]" 1
865 1 48 ILE HB 1 52 LYS QE . . 5.180 4.669 4.020 5.218 0.038 3 0 "[ . 1]" 1
866 1 48 ILE MD 1 49 ASN H . . 4.920 4.580 4.525 4.624 . 0 0 "[ . 1]" 1
867 1 48 ILE MD 1 51 HIS QB . . 4.410 3.821 3.652 4.121 . 0 0 "[ . 1]" 1
868 1 48 ILE MD 1 52 LYS H . . 5.500 5.423 5.235 5.513 0.013 6 0 "[ . 1]" 1
869 1 48 ILE HG12 1 49 ASN H . . 4.340 4.111 3.992 4.196 . 0 0 "[ . 1]" 1
870 1 48 ILE MG 1 49 ASN H . . 3.540 3.401 3.100 3.574 0.034 3 0 "[ . 1]" 1
871 1 48 ILE MG 1 49 ASN HA . . 3.690 3.499 3.361 3.633 . 0 0 "[ . 1]" 1
872 1 48 ILE MG 1 49 ASN HB2 . . 5.500 5.224 5.027 5.463 . 0 0 "[ . 1]" 1
873 1 48 ILE MG 1 49 ASN QD . . 5.340 5.056 4.738 5.317 . 0 0 "[ . 1]" 1
874 1 48 ILE MG 1 52 LYS H . . 5.000 4.067 3.894 4.185 . 0 0 "[ . 1]" 1
875 1 48 ILE MG 1 52 LYS QE . . 3.240 2.474 1.945 3.249 0.009 10 0 "[ . 1]" 1
876 1 49 ASN H 1 49 ASN HB2 . . 3.680 2.546 2.354 2.693 . 0 0 "[ . 1]" 1
877 1 49 ASN H 1 49 ASN HB3 . . 3.790 3.584 3.570 3.597 . 0 0 "[ . 1]" 1
878 1 49 ASN H 1 50 GLN H . . 3.310 2.653 2.587 2.814 . 0 0 "[ . 1]" 1
879 1 49 ASN H 1 50 GLN HA . . 5.500 5.261 5.212 5.381 . 0 0 "[ . 1]" 1
880 1 49 ASN H 1 50 GLN HB2 . . 4.830 4.735 4.655 4.802 . 0 0 "[ . 1]" 1
881 1 49 ASN H 1 51 HIS H . . 4.420 4.179 4.061 4.276 . 0 0 "[ . 1]" 1
882 1 49 ASN H 1 51 HIS QB . . 5.340 5.176 5.021 5.344 0.004 8 0 "[ . 1]" 1
883 1 49 ASN H 1 52 LYS QB . . 5.290 4.640 4.379 5.251 . 0 0 "[ . 1]" 1
884 1 49 ASN HA 1 51 HIS H . . 4.510 4.416 4.210 4.512 0.002 4 0 "[ . 1]" 1
885 1 49 ASN HA 1 52 LYS H . . 3.570 3.396 3.310 3.492 . 0 0 "[ . 1]" 1
886 1 49 ASN HA 1 52 LYS QB . . 3.340 2.723 2.249 3.421 0.081 7 0 "[ . 1]" 1
887 1 49 ASN HA 1 52 LYS QD . . 3.590 3.067 2.030 3.538 . 0 0 "[ . 1]" 1
888 1 49 ASN HA 1 53 LEU H . . 4.460 3.754 3.471 4.025 . 0 0 "[ . 1]" 1
889 1 49 ASN HB2 1 49 ASN QD . . 3.360 2.273 2.160 2.344 . 0 0 "[ . 1]" 1
890 1 49 ASN HB2 1 49 ASN HD22 . . 3.960 3.507 3.460 3.538 . 0 0 "[ . 1]" 1
891 1 49 ASN HB2 1 50 GLN H . . 4.770 2.728 2.366 3.030 . 0 0 "[ . 1]" 1
892 1 49 ASN HB3 1 49 ASN HD22 . . 3.980 3.734 3.687 3.819 . 0 0 "[ . 1]" 1
893 1 49 ASN HB3 1 52 LYS H . . 5.450 5.272 5.079 5.460 0.010 10 0 "[ . 1]" 1
894 1 49 ASN HB3 1 53 LEU H . . 5.500 4.808 4.520 5.149 . 0 0 "[ . 1]" 1
895 1 50 GLN H 1 50 GLN HB2 . . 3.490 2.363 2.283 2.507 . 0 0 "[ . 1]" 1
896 1 50 GLN H 1 50 GLN HB3 . . 3.700 3.572 3.556 3.598 . 0 0 "[ . 1]" 1
897 1 50 GLN H 1 50 GLN HE22 . . 5.400 5.022 4.516 5.394 . 0 0 "[ . 1]" 1
898 1 50 GLN H 1 50 GLN HG2 . . 5.500 3.986 3.721 4.177 . 0 0 "[ . 1]" 1
899 1 50 GLN H 1 50 GLN HG3 . . 3.030 2.636 2.246 2.923 . 0 0 "[ . 1]" 1
900 1 50 GLN H 1 51 HIS H . . 3.320 2.588 2.389 2.806 . 0 0 "[ . 1]" 1
901 1 50 GLN H 1 52 LYS H . . 5.070 3.834 3.764 3.920 . 0 0 "[ . 1]" 1
902 1 50 GLN H 1 73 THR MG . . 4.660 4.305 4.129 4.544 . 0 0 "[ . 1]" 1
903 1 50 GLN HA 1 50 GLN HE21 . . 5.040 4.810 4.579 5.044 0.004 1 0 "[ . 1]" 1
904 1 50 GLN HA 1 53 LEU H . . 3.950 3.632 3.535 3.761 . 0 0 "[ . 1]" 1
905 1 50 GLN HA 1 53 LEU HB2 . . 4.630 2.828 2.666 3.028 . 0 0 "[ . 1]" 1
906 1 50 GLN HA 1 53 LEU HB3 . . 4.630 4.361 4.097 4.626 . 0 0 "[ . 1]" 1
907 1 50 GLN HA 1 53 LEU HG . . 5.350 4.044 3.456 4.438 . 0 0 "[ . 1]" 1
908 1 50 GLN HA 1 54 VAL H . . 4.510 4.361 4.275 4.449 . 0 0 "[ . 1]" 1
909 1 50 GLN HA 1 73 THR HB . . 5.500 5.503 5.432 5.535 0.035 8 0 "[ . 1]" 1
910 1 50 GLN HA 1 73 THR MG . . 4.700 4.054 3.977 4.222 . 0 0 "[ . 1]" 1
911 1 50 GLN HB2 1 51 HIS H . . 3.620 2.706 2.586 2.927 . 0 0 "[ . 1]" 1
912 1 50 GLN HB2 1 73 THR HB . . 4.820 4.119 3.819 4.542 . 0 0 "[ . 1]" 1
913 1 50 GLN HB2 1 73 THR MG . . 3.810 2.235 2.070 2.462 . 0 0 "[ . 1]" 1
914 1 50 GLN HB3 1 51 HIS H . . 3.770 3.562 3.393 3.731 . 0 0 "[ . 1]" 1
915 1 50 GLN HB3 1 73 THR HA . . 5.170 4.374 4.108 4.668 . 0 0 "[ . 1]" 1
916 1 50 GLN HB3 1 73 THR HB . . 4.540 3.264 3.164 3.348 . 0 0 "[ . 1]" 1
917 1 50 GLN HB3 1 73 THR MG . . 4.190 1.937 1.895 2.090 . 0 0 "[ . 1]" 1
918 1 50 GLN HE22 1 50 GLN HG2 . . 3.980 3.712 3.614 3.929 . 0 0 "[ . 1]" 1
919 1 50 GLN HE22 1 50 GLN HG3 . . 3.600 3.541 3.438 3.608 0.008 1 0 "[ . 1]" 1
920 1 50 GLN HG2 1 73 THR HB . . 5.250 3.306 3.143 3.597 . 0 0 "[ . 1]" 1
921 1 50 GLN HG3 1 51 HIS H . . 5.420 4.564 4.343 4.689 . 0 0 "[ . 1]" 1
922 1 51 HIS H 1 51 HIS HB2 . . 3.300 2.271 2.081 2.348 . 0 0 "[ . 1]" 1
923 1 51 HIS H 1 51 HIS QB . . 2.860 2.191 2.059 2.239 . 0 0 "[ . 1]" 1
924 1 51 HIS H 1 51 HIS HB3 . . 3.300 2.917 2.823 3.267 . 0 0 "[ . 1]" 1
925 1 51 HIS H 1 52 LYS QB . . 4.480 4.274 4.161 4.414 . 0 0 "[ . 1]" 1
926 1 51 HIS H 1 54 VAL H . . 5.340 5.224 5.152 5.304 . 0 0 "[ . 1]" 1
927 1 51 HIS H 1 54 VAL MG2 . . 4.640 4.426 4.310 4.520 . 0 0 "[ . 1]" 1
928 1 51 HIS H 1 71 ILE MD . . 5.500 5.511 5.496 5.523 0.023 5 0 "[ . 1]" 1
929 1 51 HIS H 1 73 THR MG . . 4.390 3.940 3.729 4.039 . 0 0 "[ . 1]" 1
930 1 51 HIS HA 1 54 VAL H . . 4.760 3.997 3.930 4.054 . 0 0 "[ . 1]" 1
931 1 51 HIS HA 1 54 VAL MG1 . . 3.470 3.485 3.463 3.500 0.030 4 0 "[ . 1]" 1
932 1 51 HIS HA 1 54 VAL MG2 . . 3.420 2.393 2.275 2.465 . 0 0 "[ . 1]" 1
933 1 51 HIS HA 1 71 ILE MD . . 4.330 3.036 3.015 3.068 . 0 0 "[ . 1]" 1
934 1 51 HIS HA 1 71 ILE MG . . 3.720 2.905 2.773 3.089 . 0 0 "[ . 1]" 1
935 1 51 HIS HA 1 73 THR MG . . 5.110 4.075 3.931 4.207 . 0 0 "[ . 1]" 1
936 1 51 HIS QB 1 54 VAL MG1 . . 5.340 5.232 5.210 5.252 . 0 0 "[ . 1]" 1
937 1 51 HIS QB 1 54 VAL MG2 . . 5.290 3.963 3.783 4.046 . 0 0 "[ . 1]" 1
938 1 51 HIS QB 1 71 ILE MD . . 5.060 3.996 3.953 4.058 . 0 0 "[ . 1]" 1
939 1 51 HIS HB2 1 52 LYS H . . 3.750 3.726 3.448 3.768 0.018 7 0 "[ . 1]" 1
940 1 51 HIS HB2 1 71 ILE MG . . 5.500 4.629 4.476 5.038 . 0 0 "[ . 1]" 1
941 1 51 HIS HB2 1 73 THR MG . . 5.500 4.194 4.153 4.351 . 0 0 "[ . 1]" 1
942 1 51 HIS HB3 1 52 LYS H . . 3.750 3.050 2.918 3.362 . 0 0 "[ . 1]" 1
943 1 51 HIS HB3 1 71 ILE MG . . 5.500 5.254 5.166 5.416 . 0 0 "[ . 1]" 1
944 1 51 HIS HB3 1 73 THR MG . . 5.500 5.503 5.486 5.524 0.024 4 0 "[ . 1]" 1
945 1 52 LYS H 1 52 LYS QB . . 2.840 2.270 2.146 2.420 . 0 0 "[ . 1]" 1
946 1 52 LYS H 1 52 LYS QE . . 5.130 4.587 3.353 5.066 . 0 0 "[ . 1]" 1
947 1 52 LYS H 1 52 LYS QG . . 4.490 3.206 2.352 3.984 . 0 0 "[ . 1]" 1
948 1 52 LYS H 1 53 LEU H . . 3.290 2.443 2.381 2.486 . 0 0 "[ . 1]" 1
949 1 52 LYS H 1 54 VAL H . . 5.500 4.326 4.252 4.409 . 0 0 "[ . 1]" 1
950 1 52 LYS H 1 54 VAL MG2 . . 5.190 3.953 3.825 4.081 . 0 0 "[ . 1]" 1
951 1 52 LYS HA 1 52 LYS QG . . 3.430 2.594 2.161 3.318 . 0 0 "[ . 1]" 1
952 1 52 LYS HA 1 55 LYS H . . 3.720 3.451 3.393 3.537 . 0 0 "[ . 1]" 1
953 1 52 LYS HA 1 55 LYS HB2 . . 3.230 2.743 2.670 2.911 . 0 0 "[ . 1]" 1
954 1 52 LYS HA 1 56 ASN H . . 4.330 4.338 4.306 4.367 0.037 3 0 "[ . 1]" 1
955 1 52 LYS HA 1 56 ASN HD21 . . 5.500 5.007 4.346 5.399 . 0 0 "[ . 1]" 1
956 1 52 LYS QB 1 52 LYS QE . . 3.480 2.582 1.922 3.480 . 0 0 "[ . 1]" 1
957 1 52 LYS QB 1 53 LEU H . . 3.670 2.817 2.449 3.502 . 0 0 "[ . 1]" 1
958 1 52 LYS QB 1 56 ASN HD22 . . 5.340 2.687 2.085 3.296 . 0 0 "[ . 1]" 1
959 1 52 LYS QD 1 53 LEU H . . 4.820 4.474 4.165 4.824 0.004 4 0 "[ . 1]" 1
960 1 52 LYS QD 1 56 ASN HD21 . . 5.340 4.299 3.493 4.783 . 0 0 "[ . 1]" 1
961 1 52 LYS QG 1 53 LEU H . . 4.910 3.558 2.253 4.335 . 0 0 "[ . 1]" 1
962 1 52 LYS QG 1 56 ASN HD21 . . 4.940 3.753 2.775 4.938 . 0 0 "[ . 1]" 1
963 1 52 LYS QG 1 56 ASN HD22 . . 5.340 2.555 1.934 3.992 . 0 0 "[ . 1]" 1
964 1 53 LEU H 1 53 LEU HB2 . . 3.730 2.213 2.092 2.438 . 0 0 "[ . 1]" 1
965 1 53 LEU H 1 53 LEU QB . . 3.100 2.190 2.074 2.399 . 0 0 "[ . 1]" 1
966 1 53 LEU H 1 53 LEU HB3 . . 3.730 3.498 3.409 3.580 . 0 0 "[ . 1]" 1
967 1 53 LEU H 1 53 LEU MD2 . . 3.940 3.779 3.351 3.963 0.023 10 0 "[ . 1]" 1
968 1 53 LEU H 1 53 LEU HG . . 3.220 2.850 2.338 3.203 . 0 0 "[ . 1]" 1
969 1 53 LEU H 1 54 VAL H . . 3.500 2.908 2.792 2.982 . 0 0 "[ . 1]" 1
970 1 53 LEU H 1 54 VAL MG2 . . 4.200 3.751 3.607 3.841 . 0 0 "[ . 1]" 1
971 1 53 LEU H 1 56 ASN H . . 4.770 4.609 4.585 4.646 . 0 0 "[ . 1]" 1
972 1 53 LEU H 1 56 ASN HB2 . . 5.500 5.151 4.991 5.266 . 0 0 "[ . 1]" 1
973 1 53 LEU HA 1 53 LEU MD2 . . 3.390 2.078 1.955 2.159 . 0 0 "[ . 1]" 1
974 1 53 LEU HA 1 55 LYS H . . 4.720 4.124 4.082 4.192 . 0 0 "[ . 1]" 1
975 1 53 LEU HA 1 56 ASN H . . 3.780 3.204 3.178 3.242 . 0 0 "[ . 1]" 1
976 1 53 LEU HA 1 56 ASN HB2 . . 3.790 2.608 2.521 2.661 . 0 0 "[ . 1]" 1
977 1 53 LEU HA 1 56 ASN HB3 . . 4.150 4.178 4.156 4.189 0.039 3 0 "[ . 1]" 1
978 1 53 LEU HA 1 56 ASN HD21 . . 4.790 1.939 1.929 1.949 . 0 0 "[ . 1]" 1
979 1 53 LEU HA 1 56 ASN HD22 . . 4.510 3.166 2.938 3.575 . 0 0 "[ . 1]" 1
980 1 53 LEU QB 1 53 LEU MD1 . . 3.140 2.085 2.066 2.097 . 0 0 "[ . 1]" 1
981 1 53 LEU QB 1 53 LEU MD2 . . 3.180 2.251 2.217 2.311 . 0 0 "[ . 1]" 1
982 1 53 LEU QB 1 54 VAL H . . 3.260 2.412 2.300 2.460 . 0 0 "[ . 1]" 1
983 1 53 LEU QB 1 54 VAL MG2 . . 4.250 3.821 3.754 3.846 . 0 0 "[ . 1]" 1
984 1 53 LEU QB 1 56 ASN HB2 . . 4.880 4.385 4.296 4.437 . 0 0 "[ . 1]" 1
985 1 53 LEU HB2 1 54 VAL H . . 3.770 2.573 2.352 2.717 . 0 0 "[ . 1]" 1
986 1 53 LEU HB2 1 54 VAL HA . . 4.950 4.655 4.331 4.825 . 0 0 "[ . 1]" 1
987 1 53 LEU HB3 1 54 VAL H . . 3.770 2.962 2.809 3.253 . 0 0 "[ . 1]" 1
988 1 53 LEU HB3 1 54 VAL HA . . 4.950 3.930 3.821 4.177 . 0 0 "[ . 1]" 1
989 1 53 LEU MD2 1 56 ASN H . . 4.820 4.552 4.419 4.731 . 0 0 "[ . 1]" 1
990 1 53 LEU MD2 1 56 ASN HD21 . . 5.150 2.486 2.102 3.066 . 0 0 "[ . 1]" 1
991 1 53 LEU MD2 1 56 ASN HD22 . . 4.650 3.762 3.169 4.375 . 0 0 "[ . 1]" 1
992 1 53 LEU HG 1 54 VAL H . . 4.880 4.688 4.386 4.821 . 0 0 "[ . 1]" 1
993 1 54 VAL H 1 54 VAL HB . . 3.730 3.614 3.612 3.615 . 0 0 "[ . 1]" 1
994 1 54 VAL H 1 54 VAL MG1 . . 4.460 2.403 2.374 2.431 . 0 0 "[ . 1]" 1
995 1 54 VAL H 1 54 VAL MG2 . . 3.010 1.982 1.937 2.034 . 0 0 "[ . 1]" 1
996 1 54 VAL H 1 55 LYS H . . 3.250 2.768 2.726 2.802 . 0 0 "[ . 1]" 1
997 1 54 VAL H 1 55 LYS HE3 . . 5.500 5.475 5.388 5.510 0.010 4 0 "[ . 1]" 1
998 1 54 VAL H 1 55 LYS HG2 . . 4.980 4.564 4.459 4.823 . 0 0 "[ . 1]" 1
999 1 54 VAL H 1 56 ASN HB2 . . 5.500 5.322 5.242 5.422 . 0 0 "[ . 1]" 1
1000 1 54 VAL H 1 71 ILE MD . . 5.500 4.743 4.621 4.841 . 0 0 "[ . 1]" 1
1001 1 54 VAL H 1 71 ILE MG . . 4.480 4.388 4.264 4.486 0.006 2 0 "[ . 1]" 1
1002 1 54 VAL HA 1 54 VAL MG1 . . 3.370 2.201 2.177 2.214 . 0 0 "[ . 1]" 1
1003 1 54 VAL HA 1 57 ALA H . . 3.940 3.630 3.528 3.711 . 0 0 "[ . 1]" 1
1004 1 54 VAL HA 1 57 ALA MB . . 3.370 2.960 2.736 3.121 . 0 0 "[ . 1]" 1
1005 1 54 VAL HA 1 71 ILE MG . . 5.190 4.867 4.722 4.999 . 0 0 "[ . 1]" 1
1006 1 54 VAL HB 1 55 LYS H . . 3.780 3.752 3.669 3.791 0.011 8 0 "[ . 1]" 1
1007 1 54 VAL HB 1 55 LYS HE3 . . 4.860 3.575 3.477 3.650 . 0 0 "[ . 1]" 1
1008 1 54 VAL HB 1 56 ASN H . . 5.500 5.525 5.501 5.547 0.047 10 0 "[ . 1]" 1
1009 1 54 VAL HB 1 71 ILE MD . . 3.820 3.331 2.927 3.532 . 0 0 "[ . 1]" 1
1010 1 54 VAL HB 1 71 ILE MG . . 4.040 3.185 2.983 3.535 . 0 0 "[ . 1]" 1
1011 1 54 VAL MG1 1 55 LYS H . . 4.220 4.023 4.010 4.041 . 0 0 "[ . 1]" 1
1012 1 54 VAL MG1 1 56 ASN H . . 5.500 5.353 5.319 5.414 . 0 0 "[ . 1]" 1
1013 1 54 VAL MG1 1 71 ILE MG . . 3.510 2.182 2.058 2.274 . 0 0 "[ . 1]" 1
1014 1 54 VAL MG1 1 73 THR HA . . 5.480 5.292 5.030 5.490 0.010 10 0 "[ . 1]" 1
1015 1 54 VAL MG2 1 55 LYS H . . 3.490 2.176 2.084 2.236 . 0 0 "[ . 1]" 1
1016 1 54 VAL MG2 1 55 LYS HA . . 3.600 3.411 3.377 3.474 . 0 0 "[ . 1]" 1
1017 1 54 VAL MG2 1 55 LYS HB2 . . 3.810 3.712 3.585 3.782 . 0 0 "[ . 1]" 1
1018 1 54 VAL MG2 1 55 LYS HE3 . . 3.550 2.320 2.228 2.410 . 0 0 "[ . 1]" 1
1019 1 54 VAL MG2 1 56 ASN H . . 5.350 4.174 4.151 4.205 . 0 0 "[ . 1]" 1
1020 1 54 VAL MG2 1 57 ALA H . . 5.500 5.113 4.977 5.202 . 0 0 "[ . 1]" 1
1021 1 54 VAL MG2 1 71 ILE MG . . 3.260 1.944 1.909 2.009 . 0 0 "[ . 1]" 1
1022 1 55 LYS H 1 55 LYS HB2 . . 3.010 2.432 2.332 2.483 . 0 0 "[ . 1]" 1
1023 1 55 LYS H 1 55 LYS HE3 . . 4.820 3.618 3.495 3.682 . 0 0 "[ . 1]" 1
1024 1 55 LYS H 1 55 LYS HG2 . . 3.390 2.423 2.261 2.583 . 0 0 "[ . 1]" 1
1025 1 55 LYS H 1 55 LYS HG3 . . 4.000 3.582 3.493 3.770 . 0 0 "[ . 1]" 1
1026 1 55 LYS H 1 56 ASN HB2 . . 5.060 4.701 4.569 4.800 . 0 0 "[ . 1]" 1
1027 1 55 LYS H 1 58 LEU H . . 5.470 5.081 4.996 5.227 . 0 0 "[ . 1]" 1
1028 1 55 LYS HA 1 55 LYS HD3 . . 3.050 2.846 2.393 3.025 . 0 0 "[ . 1]" 1
1029 1 55 LYS HA 1 55 LYS HE3 . . 3.730 2.663 2.501 2.795 . 0 0 "[ . 1]" 1
1030 1 55 LYS HA 1 55 LYS HG3 . . 4.040 3.776 3.711 3.799 . 0 0 "[ . 1]" 1
1031 1 55 LYS HA 1 57 ALA H . . 4.540 4.443 4.203 4.549 0.009 7 0 "[ . 1]" 1
1032 1 55 LYS HA 1 58 LEU H . . 4.000 3.746 3.587 3.881 . 0 0 "[ . 1]" 1
1033 1 55 LYS HA 1 58 LEU HB3 . . 5.500 4.771 4.508 5.154 . 0 0 "[ . 1]" 1
1034 1 55 LYS HA 1 58 LEU QD . . 3.990 2.164 1.929 2.562 . 0 0 "[ . 1]" 1
1035 1 55 LYS HA 1 58 LEU HG . . 3.830 2.370 2.099 2.726 . 0 0 "[ . 1]" 1
1036 1 55 LYS HA 1 71 ILE MD . . 4.760 4.451 4.146 4.770 0.010 7 0 "[ . 1]" 1
1037 1 55 LYS HB2 1 56 ASN H . . 3.240 2.880 2.768 2.920 . 0 0 "[ . 1]" 1
1038 1 55 LYS HB2 1 58 LEU MD1 . . 5.500 4.672 4.305 5.357 . 0 0 "[ . 1]" 1
1039 1 55 LYS HB2 1 58 LEU MD2 . . 5.500 4.973 4.666 5.359 . 0 0 "[ . 1]" 1
1040 1 55 LYS HE3 1 58 LEU QD . . 4.160 2.759 2.374 3.311 . 0 0 "[ . 1]" 1
1041 1 55 LYS HE3 1 71 ILE MD . . 4.180 2.198 1.970 2.494 . 0 0 "[ . 1]" 1
1042 1 55 LYS HE3 1 71 ILE MG . . 4.980 4.735 4.545 4.943 . 0 0 "[ . 1]" 1
1043 1 55 LYS HG2 1 56 ASN H . . 4.680 4.414 4.316 4.543 . 0 0 "[ . 1]" 1
1044 1 56 ASN H 1 56 ASN HB2 . . 2.880 2.527 2.420 2.627 . 0 0 "[ . 1]" 1
1045 1 56 ASN H 1 56 ASN HB3 . . 3.610 3.607 3.594 3.615 0.005 1 0 "[ . 1]" 1
1046 1 56 ASN H 1 56 ASN HD21 . . 5.180 3.449 2.978 3.633 . 0 0 "[ . 1]" 1
1047 1 56 ASN H 1 56 ASN HD22 . . 5.500 3.951 3.877 4.022 . 0 0 "[ . 1]" 1
1048 1 56 ASN H 1 57 ALA H . . 3.300 2.492 2.386 2.663 . 0 0 "[ . 1]" 1
1049 1 56 ASN H 1 57 ALA MB . . 4.840 4.121 3.999 4.271 . 0 0 "[ . 1]" 1
1050 1 56 ASN H 1 58 LEU H . . 4.480 3.897 3.833 3.975 . 0 0 "[ . 1]" 1
1051 1 56 ASN H 1 58 LEU MD1 . . 5.500 4.894 4.678 5.467 . 0 0 "[ . 1]" 1
1052 1 56 ASN H 1 58 LEU MD2 . . 5.500 4.921 4.735 5.140 . 0 0 "[ . 1]" 1
1053 1 56 ASN HA 1 56 ASN HD21 . . 4.740 4.434 4.249 4.520 . 0 0 "[ . 1]" 1
1054 1 56 ASN HA 1 56 ASN HD22 . . 4.940 4.705 4.545 4.810 . 0 0 "[ . 1]" 1
1055 1 56 ASN HA 1 58 LEU H . . 4.240 3.691 3.544 3.762 . 0 0 "[ . 1]" 1
1056 1 56 ASN HA 1 59 SER H . . 3.740 3.019 2.884 3.369 . 0 0 "[ . 1]" 1
1057 1 56 ASN HB2 1 56 ASN HD22 . . 3.670 3.457 3.433 3.470 . 0 0 "[ . 1]" 1
1058 1 56 ASN HB2 1 57 ALA H . . 3.300 2.665 2.514 2.924 . 0 0 "[ . 1]" 1
1059 1 56 ASN HB2 1 57 ALA HA . . 5.500 4.213 4.108 4.351 . 0 0 "[ . 1]" 1
1060 1 56 ASN HB2 1 57 ALA MB . . 4.810 3.978 3.880 4.143 . 0 0 "[ . 1]" 1
1061 1 56 ASN HB2 1 58 LEU H . . 5.500 4.771 4.689 4.894 . 0 0 "[ . 1]" 1
1062 1 56 ASN HB3 1 56 ASN HD21 . . 3.470 3.046 2.952 3.255 . 0 0 "[ . 1]" 1
1063 1 56 ASN HB3 1 57 ALA HA . . 5.500 4.532 4.426 4.689 . 0 0 "[ . 1]" 1
1064 1 56 ASN HB3 1 58 LEU H . . 5.500 5.130 5.055 5.192 . 0 0 "[ . 1]" 1
1065 1 56 ASN HD21 1 57 ALA MB . . 5.410 5.473 5.422 5.516 0.106 4 0 "[ . 1]" 1
1066 1 57 ALA H 1 57 ALA MB . . 2.890 2.116 2.065 2.203 . 0 0 "[ . 1]" 1
1067 1 57 ALA H 1 58 LEU MD1 . . 5.500 5.081 4.862 5.452 . 0 0 "[ . 1]" 1
1068 1 57 ALA H 1 58 LEU MD2 . . 5.500 4.732 4.451 4.807 . 0 0 "[ . 1]" 1
1069 1 57 ALA H 1 59 SER H . . 4.290 3.960 3.869 4.184 . 0 0 "[ . 1]" 1
1070 1 57 ALA MB 1 58 LEU HA . . 4.620 4.038 3.983 4.096 . 0 0 "[ . 1]" 1
1071 1 57 ALA MB 1 58 LEU MD1 . . 5.150 5.011 4.890 5.086 . 0 0 "[ . 1]" 1
1072 1 57 ALA MB 1 58 LEU MD2 . . 5.150 3.956 3.677 4.171 . 0 0 "[ . 1]" 1
1073 1 58 LEU H 1 58 LEU HB2 . . 3.780 3.714 3.690 3.764 . 0 0 "[ . 1]" 1
1074 1 58 LEU H 1 58 LEU HB3 . . 3.190 3.091 3.008 3.171 . 0 0 "[ . 1]" 1
1075 1 58 LEU H 1 58 LEU MD1 . . 4.050 3.210 3.018 3.515 . 0 0 "[ . 1]" 1
1076 1 58 LEU H 1 58 LEU QD . . 3.540 2.955 2.862 3.079 . 0 0 "[ . 1]" 1
1077 1 58 LEU H 1 58 LEU MD2 . . 4.050 3.480 3.397 3.553 . 0 0 "[ . 1]" 1
1078 1 58 LEU H 1 58 LEU HG . . 2.400 1.969 1.943 2.097 . 0 0 "[ . 1]" 1
1079 1 58 LEU H 1 59 SER HA . . 5.230 4.592 4.500 4.704 . 0 0 "[ . 1]" 1
1080 1 58 LEU H 1 62 LEU H . . 5.500 5.452 5.337 5.507 0.007 5 0 "[ . 1]" 1
1081 1 58 LEU HA 1 58 LEU HB2 . . 2.830 2.477 2.434 2.503 . 0 0 "[ . 1]" 1
1082 1 58 LEU HA 1 58 LEU MD1 . . 4.670 3.658 3.572 3.702 . 0 0 "[ . 1]" 1
1083 1 58 LEU HA 1 58 LEU QD . . 3.570 3.396 3.346 3.417 . 0 0 "[ . 1]" 1
1084 1 58 LEU HA 1 58 LEU MD2 . . 4.670 4.026 4.005 4.045 . 0 0 "[ . 1]" 1
1085 1 58 LEU HA 1 60 GLU H . . 4.570 3.979 3.455 4.582 0.012 3 0 "[ . 1]" 1
1086 1 58 LEU HB3 1 58 LEU QD . . 2.530 2.020 1.964 2.118 . 0 0 "[ . 1]" 1
1087 1 58 LEU QD 1 59 SER H . . 4.390 3.053 2.464 3.769 . 0 0 "[ . 1]" 1
1088 1 58 LEU HG 1 59 SER H . . 4.520 3.228 2.651 3.796 . 0 0 "[ . 1]" 1
1089 1 59 SER H 1 60 GLU H . . 3.580 2.329 2.246 2.494 . 0 0 "[ . 1]" 1
1090 1 59 SER H 1 60 GLU QG . . 4.720 3.542 3.248 3.956 . 0 0 "[ . 1]" 1
1091 1 59 SER HA 1 61 ILE H . . 4.720 4.679 4.452 4.761 0.041 9 0 "[ . 1]" 1
1092 1 59 SER HA 1 62 LEU H . . 4.320 3.854 3.615 4.000 . 0 0 "[ . 1]" 1
1093 1 59 SER HA 1 62 LEU MD1 . . 5.500 3.471 2.750 4.830 . 0 0 "[ . 1]" 1
1094 1 59 SER HA 1 62 LEU QD . . 4.660 3.003 2.569 3.441 . 0 0 "[ . 1]" 1
1095 1 59 SER HA 1 62 LEU MD2 . . 5.500 3.421 2.863 3.793 . 0 0 "[ . 1]" 1
1096 1 60 GLU H 1 60 GLU QB . . 3.120 2.728 2.551 2.946 . 0 0 "[ . 1]" 1
1097 1 60 GLU H 1 60 GLU QG . . 3.470 2.030 1.906 2.340 . 0 0 "[ . 1]" 1
1098 1 60 GLU H 1 61 ILE H . . 3.780 2.260 2.133 2.620 . 0 0 "[ . 1]" 1
1099 1 60 GLU H 1 62 LEU H . . 4.820 3.499 3.054 4.192 . 0 0 "[ . 1]" 1
1100 1 60 GLU HA 1 60 GLU HG2 . . 4.130 3.554 2.653 4.017 . 0 0 "[ . 1]" 1
1101 1 60 GLU HA 1 60 GLU QG . . 3.530 3.239 2.602 3.340 . 0 0 "[ . 1]" 1
1102 1 60 GLU HA 1 60 GLU HG3 . . 4.130 3.814 3.562 3.965 . 0 0 "[ . 1]" 1
1103 1 60 GLU QB 1 61 ILE H . . 4.200 3.241 2.597 3.507 . 0 0 "[ . 1]" 1
1104 1 60 GLU QB 1 61 ILE MD . . 4.070 3.574 2.578 4.092 0.022 6 0 "[ . 1]" 1
1105 1 60 GLU HB2 1 61 ILE MD . . 4.890 3.777 2.634 4.420 . 0 0 "[ . 1]" 1
1106 1 60 GLU HB3 1 61 ILE MD . . 4.890 4.490 3.670 4.909 0.019 9 0 "[ . 1]" 1
1107 1 60 GLU QG 1 61 ILE H . . 3.680 2.336 1.920 3.707 0.027 10 0 "[ . 1]" 1
1108 1 60 GLU QG 1 61 ILE MD . . 4.170 2.550 1.861 4.188 0.018 5 0 "[ . 1]" 1
1109 1 60 GLU QG 1 62 LEU H . . 5.340 4.296 3.854 5.327 . 0 0 "[ . 1]" 1
1110 1 61 ILE H 1 61 ILE HB . . 3.680 2.596 2.527 2.666 . 0 0 "[ . 1]" 1
1111 1 61 ILE H 1 61 ILE MD . . 4.890 2.859 1.910 3.252 . 0 0 "[ . 1]" 1
1112 1 61 ILE H 1 61 ILE HG12 . . 3.850 3.005 1.998 3.966 0.116 9 0 "[ . 1]" 1
1113 1 61 ILE H 1 61 ILE HG13 . . 3.850 3.110 2.516 3.710 . 0 0 "[ . 1]" 1
1114 1 61 ILE H 1 61 ILE MG . . 3.970 3.790 3.769 3.807 . 0 0 "[ . 1]" 1
1115 1 61 ILE H 1 62 LEU H . . 3.190 2.360 2.202 2.627 . 0 0 "[ . 1]" 1
1116 1 61 ILE H 1 62 LEU HB2 . . 5.460 5.112 4.648 5.279 . 0 0 "[ . 1]" 1
1117 1 61 ILE HA 1 61 ILE QG . . 3.630 2.731 2.311 3.084 . 0 0 "[ . 1]" 1
1118 1 61 ILE HA 1 61 ILE MG . . 2.860 2.287 2.198 2.392 . 0 0 "[ . 1]" 1
1119 1 61 ILE HB 1 61 ILE QG . . 2.420 2.356 2.186 2.538 0.118 8 0 "[ . 1]" 1
1120 1 61 ILE HB 1 62 LEU H . . 3.840 3.006 2.427 3.217 . 0 0 "[ . 1]" 1
1121 1 61 ILE HB 1 63 ASN H . . 4.750 2.959 2.587 3.386 . 0 0 "[ . 1]" 1
1122 1 61 ILE MD 1 62 LEU H . . 5.500 4.309 3.454 4.609 . 0 0 "[ . 1]" 1
1123 1 61 ILE MD 1 63 ASN HD21 . . 5.500 4.550 3.530 5.491 . 0 0 "[ . 1]" 1
1124 1 61 ILE MD 1 63 ASN HD22 . . 5.500 4.403 3.514 5.166 . 0 0 "[ . 1]" 1
1125 1 61 ILE QG 1 62 LEU H . . 4.200 4.102 3.904 4.256 0.056 3 0 "[ . 1]" 1
1126 1 61 ILE MG 1 63 ASN H . . 3.810 3.273 2.547 3.810 . 4 0 "[ . 1]" 1
1127 1 61 ILE MG 1 63 ASN QD . . 3.770 2.478 1.907 3.030 . 0 0 "[ . 1]" 1
1128 1 62 LEU H 1 62 LEU HB2 . . 3.400 3.330 3.059 3.504 0.104 9 0 "[ . 1]" 1
1129 1 62 LEU H 1 62 LEU MD1 . . 4.040 3.383 2.752 4.075 0.035 3 0 "[ . 1]" 1
1130 1 62 LEU H 1 62 LEU QD . . 3.520 2.339 2.114 3.259 . 0 0 "[ . 1]" 1
1131 1 62 LEU H 1 62 LEU MD2 . . 4.040 2.533 2.139 4.273 0.233 9 0 "[ . 1]" 1
1132 1 62 LEU H 1 63 ASN H . . 4.150 2.776 2.669 2.929 . 0 0 "[ . 1]" 1
1133 1 62 LEU HA 1 62 LEU MD1 . . 3.390 2.214 1.965 3.530 0.140 9 0 "[ . 1]" 1
1134 1 62 LEU HA 1 62 LEU MD2 . . 3.390 2.677 2.207 3.409 0.019 9 0 "[ . 1]" 1
1135 1 62 LEU HA 1 63 ASN H . . 3.460 2.774 2.610 3.013 . 0 0 "[ . 1]" 1
1136 1 62 LEU HB2 1 62 LEU QD . . 2.850 2.238 2.097 2.285 . 0 0 "[ . 1]" 1
1137 1 62 LEU HB2 1 63 ASN H . . 4.530 4.284 4.012 4.499 . 0 0 "[ . 1]" 1
1138 1 62 LEU QD 1 63 ASN H . . 5.330 3.943 3.713 4.479 . 0 0 "[ . 1]" 1
1139 1 63 ASN H 1 63 ASN HA . . 2.940 2.840 2.755 2.942 0.002 10 0 "[ . 1]" 1
1140 1 63 ASN H 1 63 ASN HB2 . . 4.080 2.477 2.110 3.613 . 0 0 "[ . 1]" 1
1141 1 63 ASN H 1 63 ASN QB . . 3.280 2.323 2.091 3.005 . 0 0 "[ . 1]" 1
1142 1 63 ASN H 1 63 ASN HB3 . . 4.080 3.409 2.999 3.594 . 0 0 "[ . 1]" 1
1143 1 63 ASN H 1 63 ASN HD21 . . 5.500 4.143 3.624 4.486 . 0 0 "[ . 1]" 1
1144 1 63 ASN H 1 63 ASN HD22 . . 5.500 4.681 3.889 5.258 . 0 0 "[ . 1]" 1
1145 1 63 ASN H 1 64 LYS H . . 3.760 2.748 2.100 3.157 . 0 0 "[ . 1]" 1
1146 1 63 ASN QB 1 63 ASN QD . . 3.010 2.173 2.089 2.220 . 0 0 "[ . 1]" 1
1147 1 63 ASN QB 1 64 LYS QB . . 4.560 3.522 3.110 4.473 . 0 0 "[ . 1]" 1
1148 1 64 LYS H 1 64 LYS HB2 . . 3.930 2.891 2.290 3.264 . 0 0 "[ . 1]" 1
1149 1 64 LYS H 1 64 LYS QB . . 3.240 2.609 2.189 2.954 . 0 0 "[ . 1]" 1
1150 1 64 LYS H 1 64 LYS HB3 . . 3.930 3.032 2.659 3.674 . 0 0 "[ . 1]" 1
1151 1 64 LYS H 1 64 LYS QG . . 4.550 4.176 4.011 4.376 . 0 0 "[ . 1]" 1
1152 1 64 LYS HA 1 64 LYS QD . . 3.470 2.941 1.987 3.477 0.007 1 0 "[ . 1]" 1
1153 1 64 LYS HA 1 64 LYS QE . . 3.380 2.303 1.979 3.085 . 0 0 "[ . 1]" 1
1154 1 64 LYS HA 1 64 LYS QG . . 3.210 2.484 2.089 2.950 . 0 0 "[ . 1]" 1
1155 1 64 LYS HA 1 65 LYS H . . 3.250 2.357 2.275 2.659 . 0 0 "[ . 1]" 1
1156 1 64 LYS QB 1 64 LYS QE . . 3.370 2.811 1.953 3.380 0.010 1 0 "[ . 1]" 1
1157 1 64 LYS QB 1 65 LYS H . . 3.410 3.172 2.314 3.418 0.008 3 0 "[ . 1]" 1
1158 1 64 LYS HB2 1 65 LYS H . . 4.120 4.006 3.697 4.126 0.006 2 0 "[ . 1]" 1
1159 1 64 LYS HB3 1 65 LYS H . . 4.120 3.362 2.335 3.734 . 0 0 "[ . 1]" 1
1160 1 64 LYS QE 1 64 LYS QG . . 3.190 2.181 1.977 2.506 . 0 0 "[ . 1]" 1
1161 1 64 LYS QE 1 65 LYS H . . 4.190 2.875 1.945 4.189 . 0 0 "[ . 1]" 1
1162 1 64 LYS QG 1 65 LYS H . . 3.510 2.250 1.941 3.456 . 0 0 "[ . 1]" 1
1163 1 65 LYS H 1 65 LYS QB . . 3.580 2.455 2.052 2.872 . 0 0 "[ . 1]" 1
1164 1 65 LYS H 1 65 LYS QG . . 3.720 2.918 2.047 3.724 0.004 9 0 "[ . 1]" 1
1165 1 65 LYS HA 1 65 LYS QG . . 3.150 2.458 2.010 2.830 . 0 0 "[ . 1]" 1
1166 1 65 LYS QB 1 66 LEU QD . . 4.420 3.538 2.259 4.350 . 0 0 "[ . 1]" 1
1167 1 65 LYS QE 1 65 LYS QG . . 3.310 2.203 2.088 2.308 . 0 0 "[ . 1]" 1
1168 1 66 LEU QB 1 67 HIS HA . . 4.640 4.119 3.744 4.487 . 0 0 "[ . 1]" 1
1169 1 66 LEU HB2 1 67 HIS HA . . 5.500 5.097 4.604 5.501 0.001 2 0 "[ . 1]" 1
1170 1 66 LEU HB3 1 67 HIS HA . . 5.500 4.384 3.913 4.872 . 0 0 "[ . 1]" 1
1171 1 67 HIS QB 1 68 SER H . . 4.350 2.437 1.947 3.556 . 0 0 "[ . 1]" 1
1172 1 68 SER H 1 69 ILE MD . . 5.500 5.170 3.726 5.502 0.002 6 0 "[ . 1]" 1
1173 1 68 SER HA 1 69 ILE H . . 2.900 2.173 2.138 2.322 . 0 0 "[ . 1]" 1
1174 1 68 SER HA 1 69 ILE MG . . 3.910 3.852 3.478 3.915 0.005 4 0 "[ . 1]" 1
1175 1 68 SER QB 1 69 ILE H . . 3.890 3.299 2.634 3.809 . 0 0 "[ . 1]" 1
1176 1 69 ILE H 1 69 ILE HB . . 4.150 3.881 3.815 3.911 . 0 0 "[ . 1]" 1
1177 1 69 ILE H 1 69 ILE QG . . 3.330 2.398 2.164 2.631 . 0 0 "[ . 1]" 1
1178 1 69 ILE H 1 69 ILE MG . . 3.900 3.180 2.991 3.395 . 0 0 "[ . 1]" 1
1179 1 69 ILE HA 1 69 ILE MD . . 4.250 4.047 3.554 4.179 . 0 0 "[ . 1]" 1
1180 1 69 ILE HA 1 69 ILE QG . . 3.600 3.323 3.295 3.404 . 0 0 "[ . 1]" 1
1181 1 69 ILE HA 1 69 ILE MG . . 3.550 2.284 2.120 2.381 . 0 0 "[ . 1]" 1
1182 1 69 ILE HA 1 70 SER H . . 2.780 2.462 2.430 2.471 . 0 0 "[ . 1]" 1
1183 1 69 ILE HB 1 70 SER H . . 3.940 2.243 2.221 2.308 . 0 0 "[ . 1]" 1
1184 1 69 ILE HB 1 70 SER QB . . 4.340 4.040 3.986 4.112 . 0 0 "[ . 1]" 1
1185 1 69 ILE QG 1 70 SER H . . 3.740 3.563 3.421 3.730 . 0 0 "[ . 1]" 1
1186 1 69 ILE MG 1 70 SER H . . 3.900 3.510 3.436 3.581 . 0 0 "[ . 1]" 1
1187 1 70 SER H 1 70 SER HA . . 2.900 2.885 2.879 2.905 0.005 4 0 "[ . 1]" 1
1188 1 70 SER H 1 70 SER QB . . 3.160 2.216 2.143 2.282 . 0 0 "[ . 1]" 1
1189 1 70 SER H 1 71 ILE MD . . 5.500 5.379 5.137 5.506 0.006 3 0 "[ . 1]" 1
1190 1 70 SER HA 1 71 ILE H . . 2.780 2.181 2.140 2.246 . 0 0 "[ . 1]" 1
1191 1 70 SER HA 1 71 ILE HA . . 5.500 4.400 4.392 4.422 . 0 0 "[ . 1]" 1
1192 1 70 SER HA 1 71 ILE HB . . 4.840 4.582 4.559 4.613 . 0 0 "[ . 1]" 1
1193 1 70 SER HA 1 71 ILE MD . . 4.770 4.187 3.687 4.525 . 0 0 "[ . 1]" 1
1194 1 70 SER HA 1 71 ILE HG12 . . 5.500 5.460 5.405 5.511 0.011 4 0 "[ . 1]" 1
1195 1 70 SER HA 1 71 ILE HG13 . . 3.820 3.749 3.692 3.822 0.002 6 0 "[ . 1]" 1
1196 1 70 SER QB 1 71 ILE H . . 4.100 3.587 2.863 3.807 . 0 0 "[ . 1]" 1
1197 1 71 ILE H 1 71 ILE HB . . 3.270 2.651 2.592 2.744 . 0 0 "[ . 1]" 1
1198 1 71 ILE H 1 71 ILE MD . . 3.550 3.477 3.305 3.552 0.002 1 0 "[ . 1]" 1
1199 1 71 ILE H 1 71 ILE HG12 . . 5.240 4.281 4.164 4.405 . 0 0 "[ . 1]" 1
1200 1 71 ILE H 1 71 ILE HG13 . . 3.640 2.926 2.796 3.065 . 0 0 "[ . 1]" 1
1201 1 71 ILE H 1 71 ILE MG . . 4.340 3.853 3.831 3.893 . 0 0 "[ . 1]" 1
1202 1 71 ILE H 1 72 LYS H . . 4.410 4.166 4.022 4.278 . 0 0 "[ . 1]" 1
1203 1 71 ILE HA 1 71 ILE MD . . 4.460 3.860 3.823 3.878 . 0 0 "[ . 1]" 1
1204 1 71 ILE HA 1 71 ILE HG13 . . 3.240 2.610 2.525 2.683 . 0 0 "[ . 1]" 1
1205 1 71 ILE HA 1 72 LYS H . . 2.850 2.153 2.139 2.180 . 0 0 "[ . 1]" 1
1206 1 71 ILE HA 1 73 THR MG . . 5.500 5.465 5.322 5.507 0.007 4 0 "[ . 1]" 1
1207 1 71 ILE HB 1 71 ILE MD . . 3.340 2.140 2.105 2.175 . 0 0 "[ . 1]" 1
1208 1 71 ILE HB 1 72 LYS H . . 4.680 4.341 4.196 4.423 . 0 0 "[ . 1]" 1
1209 1 71 ILE MD 1 71 ILE MG . . 3.370 2.544 2.441 2.722 . 0 0 "[ . 1]" 1
1210 1 71 ILE MD 1 72 LYS H . . 5.500 5.412 5.298 5.492 . 0 0 "[ . 1]" 1
1211 1 71 ILE HG12 1 72 LYS H . . 5.500 4.832 4.708 4.934 . 0 0 "[ . 1]" 1
1212 1 71 ILE HG13 1 71 ILE MG . . 3.730 3.101 3.033 3.139 . 0 0 "[ . 1]" 1
1213 1 71 ILE MG 1 72 LYS H . . 3.420 2.843 2.455 3.095 . 0 0 "[ . 1]" 1
1214 1 71 ILE MG 1 73 THR HA . . 4.510 4.196 4.007 4.406 . 0 0 "[ . 1]" 1
1215 1 72 LYS H 1 72 LYS HB2 . . 3.180 2.769 2.706 2.852 . 0 0 "[ . 1]" 1
1216 1 72 LYS H 1 72 LYS HB3 . . 3.230 2.505 2.433 2.619 . 0 0 "[ . 1]" 1
1217 1 72 LYS H 1 72 LYS HG3 . . 4.950 4.616 4.584 4.663 . 0 0 "[ . 1]" 1
1218 1 72 LYS H 1 74 ILE MD . . 4.690 4.267 3.993 4.453 . 0 0 "[ . 1]" 1
1219 1 72 LYS HA 1 72 LYS HG2 . . 3.870 2.942 2.819 3.022 . 0 0 "[ . 1]" 1
1220 1 72 LYS HA 1 72 LYS HG3 . . 3.990 2.709 2.530 2.811 . 0 0 "[ . 1]" 1
1221 1 72 LYS HA 1 73 THR H . . 2.660 2.202 2.172 2.283 . 0 0 "[ . 1]" 1
1222 1 72 LYS HB2 1 73 THR H . . 4.170 4.112 4.022 4.180 0.010 5 0 "[ . 1]" 1
1223 1 72 LYS HB3 1 73 THR H . . 4.100 4.023 3.752 4.104 0.004 3 0 "[ . 1]" 1
1224 1 72 LYS QD 1 72 LYS QE . . 2.270 2.048 2.004 2.091 . 0 0 "[ . 1]" 1
1225 1 72 LYS QD 1 73 THR H . . 4.620 4.496 4.296 4.614 . 0 0 "[ . 1]" 1
1226 1 72 LYS QD 1 74 ILE MD . . 3.420 1.975 1.902 2.152 . 0 0 "[ . 1]" 1
1227 1 72 LYS QE 1 72 LYS HG2 . . 3.610 2.417 2.195 2.933 . 0 0 "[ . 1]" 1
1228 1 72 LYS QE 1 73 THR H . . 4.760 4.393 3.950 4.762 0.002 4 0 "[ . 1]" 1
1229 1 72 LYS QE 1 74 ILE HA . . 5.330 4.372 3.813 5.157 . 0 0 "[ . 1]" 1
1230 1 72 LYS QE 1 74 ILE MD . . 3.890 2.828 2.220 3.894 0.004 4 0 "[ . 1]" 1
1231 1 72 LYS QE 1 74 ILE HG13 . . 4.100 2.460 1.971 3.540 . 0 0 "[ . 1]" 1
1232 1 72 LYS QE 1 74 ILE MG . . 5.210 3.993 3.426 4.795 . 0 0 "[ . 1]" 1
1233 1 72 LYS HG2 1 73 THR H . . 4.070 2.537 2.289 2.660 . 0 0 "[ . 1]" 1
1234 1 72 LYS HG2 1 73 THR HB . . 5.500 5.503 5.481 5.514 0.014 3 0 "[ . 1]" 1
1235 1 72 LYS HG2 1 73 THR MG . . 5.500 4.475 4.356 4.566 . 0 0 "[ . 1]" 1
1236 1 72 LYS HG3 1 73 THR H . . 4.190 3.133 2.751 3.436 . 0 0 "[ . 1]" 1
1237 1 73 THR H 1 73 THR MG . . 3.620 2.310 2.120 2.471 . 0 0 "[ . 1]" 1
1238 1 73 THR H 1 74 ILE H . . 5.430 4.412 4.254 4.491 . 0 0 "[ . 1]" 1
1239 1 73 THR H 1 74 ILE MD . . 4.570 3.644 3.389 3.817 . 0 0 "[ . 1]" 1
1240 1 73 THR HA 1 73 THR MG . . 3.600 2.483 2.410 2.525 . 0 0 "[ . 1]" 1
1241 1 73 THR HA 1 74 ILE H . . 2.940 2.151 2.142 2.165 . 0 0 "[ . 1]" 1
1242 1 73 THR HA 1 74 ILE HA . . 4.540 4.401 4.391 4.416 . 0 0 "[ . 1]" 1
1243 1 73 THR HA 1 74 ILE HB . . 4.690 4.648 4.566 4.712 0.022 5 0 "[ . 1]" 1
1244 1 73 THR HA 1 74 ILE MD . . 3.620 3.050 2.755 3.628 0.008 10 0 "[ . 1]" 1
1245 1 73 THR HA 1 74 ILE HG13 . . 4.860 4.398 4.183 4.518 . 0 0 "[ . 1]" 1
1246 1 73 THR HA 1 74 ILE MG . . 5.500 5.464 5.443 5.488 . 0 0 "[ . 1]" 1
1247 1 73 THR HB 1 74 ILE H . . 3.950 3.346 3.188 3.533 . 0 0 "[ . 1]" 1
1248 1 73 THR MG 1 74 ILE H . . 4.360 4.161 4.088 4.226 . 0 0 "[ . 1]" 1
1249 1 74 ILE H 1 74 ILE HB . . 3.340 2.757 2.644 2.836 . 0 0 "[ . 1]" 1
1250 1 74 ILE H 1 74 ILE HG13 . . 3.910 3.479 3.280 3.616 . 0 0 "[ . 1]" 1
1251 1 74 ILE H 1 74 ILE MG . . 3.910 3.897 3.854 3.935 0.025 8 0 "[ . 1]" 1
1252 1 74 ILE H 1 75 SER H . . 5.500 4.334 4.155 4.498 . 0 0 "[ . 1]" 1
1253 1 74 ILE H 1 75 SER QB . . 5.340 5.075 4.602 5.373 0.033 8 0 "[ . 1]" 1
1254 1 74 ILE HA 1 74 ILE MD . . 4.190 3.464 3.392 3.691 . 0 0 "[ . 1]" 1
1255 1 74 ILE HA 1 74 ILE HG13 . . 3.740 2.381 2.331 2.450 . 0 0 "[ . 1]" 1
1256 1 74 ILE HA 1 74 ILE MG . . 3.410 2.317 2.233 2.383 . 0 0 "[ . 1]" 1
1257 1 74 ILE HA 1 75 SER H . . 3.200 2.193 2.140 2.276 . 0 0 "[ . 1]" 1
1258 1 74 ILE HA 1 75 SER QB . . 4.580 4.155 3.916 4.397 . 0 0 "[ . 1]" 1
1259 1 74 ILE HB 1 74 ILE MD . . 2.850 2.166 2.009 2.258 . 0 0 "[ . 1]" 1
1260 1 74 ILE HB 1 75 SER H . . 5.100 4.031 3.729 4.298 . 0 0 "[ . 1]" 1
1261 1 74 ILE MG 1 75 SER H . . 3.850 2.378 2.024 2.708 . 0 0 "[ . 1]" 1
1262 1 75 SER H 1 75 SER HB2 . . 4.030 3.569 2.587 3.906 . 0 0 "[ . 1]" 1
1263 1 75 SER H 1 75 SER QB . . 3.490 2.686 2.221 3.018 . 0 0 "[ . 1]" 1
1264 1 75 SER H 1 75 SER HB3 . . 4.030 2.830 2.261 3.170 . 0 0 "[ . 1]" 1
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