NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400880 |
1v81   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v81
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 711
_Distance_constraint_stats_list.Viol_count 939
_Distance_constraint_stats_list.Viol_total 1529.250
_Distance_constraint_stats_list.Viol_max 1.769
_Distance_constraint_stats_list.Viol_rms 0.1185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0215
_Distance_constraint_stats_list.Viol_average_violations_only 0.1629
_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 0.504 0.323 4 0 "[ . 1]"
1 2 GLN 4.042 1.712 2 2 "[ + . - 1]"
1 3 ILE 4.579 1.431 8 2 "[ - . + 1]"
1 4 PHE 4.570 0.182 6 0 "[ . 1]"
1 5 VAL 14.353 1.362 5 8 "[** *+*-**1]"
1 6 LYS 0.674 0.142 10 0 "[ . 1]"
1 7 THR 4.018 0.186 3 0 "[ . 1]"
1 8 LEU 2.398 0.290 3 0 "[ . 1]"
1 9 THR 2.397 0.290 3 0 "[ . 1]"
1 10 GLY 0.114 0.075 7 0 "[ . 1]"
1 11 LYS 1.297 0.623 2 1 "[ + . 1]"
1 12 THR 0.819 0.623 2 1 "[ + . 1]"
1 13 ILE 5.225 0.379 8 0 "[ . 1]"
1 14 THR 2.145 0.241 5 0 "[ . 1]"
1 15 LEU 6.534 1.264 4 5 "[ - +* ** 1]"
1 16 GLU 6.366 1.264 4 5 "[ - +* ** 1]"
1 17 VAL 0.215 0.045 9 0 "[ . 1]"
1 18 GLU 0.024 0.018 5 0 "[ . 1]"
1 19 PRO 0.000 0.000 . 0 "[ . 1]"
1 20 SER 0.824 0.155 6 0 "[ . 1]"
1 21 ASP 2.937 0.996 6 1 "[ .+ 1]"
1 22 THR 4.252 0.282 10 0 "[ . 1]"
1 23 ILE 3.522 0.249 10 0 "[ . 1]"
1 24 GLU 0.000 0.000 . 0 "[ . 1]"
1 25 ASN 3.991 0.996 6 1 "[ .+ 1]"
1 26 VAL 3.044 0.242 6 0 "[ . 1]"
1 27 LYS 0.978 0.186 10 0 "[ . 1]"
1 28 ALA 0.663 0.118 6 0 "[ . 1]"
1 29 LYS 1.197 0.209 5 0 "[ . 1]"
1 30 ILE 1.897 0.204 7 0 "[ . 1]"
1 31 GLN 4.926 0.222 7 0 "[ . 1]"
1 32 ASP 0.608 0.209 5 0 "[ . 1]"
1 33 LYS 1.027 0.175 2 0 "[ . 1]"
1 34 GLU 0.661 0.170 8 0 "[ . 1]"
1 35 GLY 0.510 0.116 9 0 "[ . 1]"
1 36 ILE 0.528 0.222 7 0 "[ . 1]"
1 37 PRO 2.429 0.673 7 1 "[ . + 1]"
1 38 PRO 1.790 0.174 9 0 "[ . 1]"
1 39 ASP 0.101 0.038 8 0 "[ . 1]"
1 40 GLN 4.817 0.673 7 2 "[ . +- 1]"
1 41 GLN 1.554 0.510 8 1 "[ . + 1]"
1 42 ARG 1.866 0.856 3 1 "[ + . 1]"
1 43 LEU 5.466 0.603 7 2 "[ - + 1]"
1 44 ILE 18.086 0.888 5 8 "[*-* + ****]"
1 45 PHE 23.043 1.769 5 10 [-***+*****]
1 46 ALA 2.499 0.221 2 0 "[ . 1]"
1 47 GLY 0.795 0.221 2 0 "[ . 1]"
1 48 LYS 0.000 0.000 . 0 "[ . 1]"
1 49 GLN 18.312 1.519 6 10 [*-***+****]
1 50 LEU 37.372 1.769 5 10 [****+****-]
1 51 GLU 3.998 0.930 2 1 "[ + . 1]"
1 52 ASP 4.350 0.930 2 1 "[ + . 1]"
1 54 ARG 3.876 0.713 5 2 "[ + -1]"
1 55 THR 4.630 0.713 5 2 "[ + -1]"
1 56 LEU 3.062 0.243 4 0 "[ . 1]"
1 57 SER 1.825 0.111 1 0 "[ . 1]"
1 58 ASP 0.312 0.098 10 0 "[ . 1]"
1 59 TYR 4.381 0.435 5 0 "[ . 1]"
1 60 ASN 1.872 0.435 5 0 "[ . 1]"
1 61 ILE 2.724 0.243 4 0 "[ . 1]"
1 62 GLN 0.358 0.109 6 0 "[ . 1]"
1 63 LYS 4.401 1.501 8 3 "[ * .- + 1]"
1 64 GLU 10.382 1.712 2 2 "[ + . * 1]"
1 65 SER 6.456 1.065 1 4 "[+* * *1]"
1 66 THR 3.796 0.647 9 1 "[ . +1]"
1 67 LEU 3.784 0.357 5 0 "[ . 1]"
1 68 HIS 0.929 0.138 9 0 "[ . 1]"
1 69 LEU 12.908 1.362 5 9 [**-*+****1]
1 70 VAL 3.053 0.856 3 2 "[* + . 1]"
1 71 LEU 0.002 0.002 10 0 "[ . 1]"
1 72 ARG 0.037 0.037 7 0 "[ . 1]"
1 73 LEU 0.126 0.055 4 0 "[ . 1]"
1 74 ARG 0.090 0.055 4 0 "[ . 1]"
1 75 GLY 0.000 0.000 . 0 "[ . 1]"
1 76 GLY 0.000 0.000 . 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 2 GLN H . . 3.040 2.531 2.305 3.211 0.171 4 0 "[ . 1]" 1
2 1 1 MET HB3 1 2 GLN H . . 3.820 2.822 2.281 4.143 0.323 4 0 "[ . 1]" 1
3 1 1 MET HB3 1 17 VAL MG2 . . 4.640 3.854 2.859 4.651 0.011 6 0 "[ . 1]" 1
4 1 2 GLN H 1 3 ILE MG . . 4.070 3.645 3.268 4.101 0.031 4 0 "[ . 1]" 1
5 1 2 GLN H 1 64 GLU H . . 4.950 3.533 3.188 4.038 . 0 0 "[ . 1]" 1
6 1 2 GLN H 1 64 GLU HG3 . . 4.670 4.771 3.660 6.382 1.712 2 2 "[ + . - 1]" 1
7 1 2 GLN HA 1 3 ILE H . . 2.970 2.274 2.216 2.379 . 0 0 "[ . 1]" 1
8 1 2 GLN HA 1 3 ILE MG . . 4.590 3.858 3.677 4.116 . 0 0 "[ . 1]" 1
9 1 2 GLN HA 1 14 THR MG . . 4.460 4.061 3.330 4.467 0.007 6 0 "[ . 1]" 1
10 1 2 GLN HA 1 17 VAL MG2 . . 4.550 4.249 3.746 4.571 0.021 6 0 "[ . 1]" 1
11 1 2 GLN HB3 1 2 GLN HE21 . . 4.100 2.890 2.307 4.034 . 0 0 "[ . 1]" 1
12 1 2 GLN HE21 1 4 PHE QE . . 4.100 3.820 3.253 4.127 0.027 7 0 "[ . 1]" 1
13 1 2 GLN HE21 1 14 THR MG . . 3.970 2.755 2.218 3.743 . 0 0 "[ . 1]" 1
14 1 3 ILE H 1 3 ILE MG . . 3.750 3.098 2.561 3.365 . 0 0 "[ . 1]" 1
15 1 3 ILE H 1 14 THR MG . . 4.170 4.144 3.928 4.220 0.050 8 0 "[ . 1]" 1
16 1 3 ILE H 1 15 LEU H . . 3.680 2.855 2.612 3.109 . 0 0 "[ . 1]" 1
17 1 3 ILE H 1 17 VAL MG2 . . 4.260 3.912 3.457 4.210 . 0 0 "[ . 1]" 1
18 1 3 ILE HA 1 3 ILE MG . . 3.190 2.188 2.123 2.427 . 0 0 "[ . 1]" 1
19 1 3 ILE HA 1 4 PHE H . . 3.240 2.754 2.685 2.801 . 0 0 "[ . 1]" 1
20 1 3 ILE HA 1 4 PHE QD . . 4.580 3.715 3.319 3.907 . 0 0 "[ . 1]" 1
21 1 3 ILE HA 1 4 PHE QE . . 4.690 4.181 3.907 4.301 . 0 0 "[ . 1]" 1
22 1 3 ILE HA 1 64 GLU H . . 3.950 2.622 1.920 3.745 . 0 0 "[ . 1]" 1
23 1 3 ILE HA 1 65 SER H . . 4.300 2.183 1.926 2.421 . 0 0 "[ . 1]" 1
24 1 3 ILE HB 1 4 PHE H . . 3.260 1.991 1.927 2.091 . 0 0 "[ . 1]" 1
25 1 3 ILE HB 1 4 PHE QD . . 5.050 4.637 4.425 4.779 . 0 0 "[ . 1]" 1
26 1 3 ILE HB 1 17 VAL MG2 . . 4.510 4.357 4.143 4.524 0.014 8 0 "[ . 1]" 1
27 1 3 ILE HB 1 66 THR HA . . 4.550 4.604 4.492 4.643 0.093 5 0 "[ . 1]" 1
28 1 3 ILE MD 1 4 PHE H . . 3.730 3.448 3.209 3.667 . 0 0 "[ . 1]" 1
29 1 3 ILE MD 1 17 VAL HB . . 4.250 4.161 3.915 4.283 0.033 10 0 "[ . 1]" 1
30 1 3 ILE MD 1 17 VAL MG2 . . 2.890 1.931 1.765 2.053 . 0 0 "[ . 1]" 1
31 1 3 ILE MD 1 67 LEU H . . 4.670 4.581 4.348 4.703 0.033 7 0 "[ . 1]" 1
32 1 3 ILE HG13 1 65 SER H . . 4.780 4.770 4.721 4.843 0.063 7 0 "[ . 1]" 1
33 1 3 ILE MG 1 63 LYS HA . . 3.660 2.255 1.758 3.632 . 0 0 "[ . 1]" 1
34 1 3 ILE MG 1 64 GLU H . . 4.030 2.459 2.029 3.241 . 0 0 "[ . 1]" 1
35 1 3 ILE MG 1 64 GLU HA . . 4.710 3.409 3.034 3.909 . 0 0 "[ . 1]" 1
36 1 3 ILE MG 1 64 GLU HG3 . . 4.350 4.703 4.333 5.781 1.431 8 2 "[ - . + 1]" 1
37 1 3 ILE MG 1 65 SER H . . 3.590 1.946 1.848 2.388 . 0 0 "[ . 1]" 1
38 1 3 ILE MG 1 65 SER HB3 . . 4.430 3.036 2.016 3.622 . 0 0 "[ . 1]" 1
39 1 4 PHE H 1 4 PHE QD . . 3.690 3.262 3.147 3.405 . 0 0 "[ . 1]" 1
40 1 4 PHE H 1 4 PHE QE . . 4.880 4.970 4.914 5.026 0.146 7 0 "[ . 1]" 1
41 1 4 PHE H 1 5 VAL H . . 4.910 4.428 4.364 4.458 . 0 0 "[ . 1]" 1
42 1 4 PHE H 1 66 THR HA . . 3.720 3.242 3.089 3.362 . 0 0 "[ . 1]" 1
43 1 4 PHE H 1 67 LEU H . . 4.610 4.197 3.946 4.359 . 0 0 "[ . 1]" 1
44 1 4 PHE HA 1 4 PHE QD . . 3.250 2.638 2.514 2.828 . 0 0 "[ . 1]" 1
45 1 4 PHE HA 1 4 PHE QE . . 4.570 4.697 4.664 4.752 0.182 6 0 "[ . 1]" 1
46 1 4 PHE HA 1 5 VAL H . . 3.180 2.388 2.341 2.463 . 0 0 "[ . 1]" 1
47 1 4 PHE HA 1 12 THR MG . . 4.120 3.402 3.168 3.649 . 0 0 "[ . 1]" 1
48 1 4 PHE HA 1 14 THR HA . . 3.650 3.297 3.051 3.632 . 0 0 "[ . 1]" 1
49 1 4 PHE HA 1 15 LEU H . . 4.180 3.594 3.280 4.058 . 0 0 "[ . 1]" 1
50 1 4 PHE HB3 1 5 VAL H . . 4.030 2.772 2.591 2.904 . 0 0 "[ . 1]" 1
51 1 4 PHE HB3 1 12 THR MG . . 3.270 1.923 1.818 2.069 . 0 0 "[ . 1]" 1
52 1 4 PHE HB3 1 66 THR HA . . 4.030 3.936 3.587 4.132 0.102 6 0 "[ . 1]" 1
53 1 4 PHE HB3 1 66 THR MG . . 3.500 3.403 3.191 3.525 0.025 6 0 "[ . 1]" 1
54 1 4 PHE HB3 1 67 LEU H . . 5.130 5.180 5.099 5.250 0.120 4 0 "[ . 1]" 1
55 1 4 PHE QD 1 5 VAL H . . 4.180 4.050 3.951 4.191 0.011 7 0 "[ . 1]" 1
56 1 4 PHE QD 1 5 VAL QG . . 5.130 5.062 4.992 5.114 . 0 0 "[ . 1]" 1
57 1 4 PHE QD 1 12 THR MG . . 3.120 2.085 1.873 2.409 . 0 0 "[ . 1]" 1
58 1 4 PHE QD 1 14 THR HA . . 3.470 2.732 2.481 2.862 . 0 0 "[ . 1]" 1
59 1 4 PHE QD 1 14 THR HB . . 4.910 4.623 4.326 4.912 0.002 10 0 "[ . 1]" 1
60 1 4 PHE QD 1 15 LEU H . . 4.300 4.345 4.293 4.401 0.101 4 0 "[ . 1]" 1
61 1 4 PHE QD 1 64 GLU HA . . 4.030 3.128 2.736 3.319 . 0 0 "[ . 1]" 1
62 1 4 PHE QD 1 64 GLU HB3 . . 4.560 3.692 3.205 4.219 . 0 0 "[ . 1]" 1
63 1 4 PHE QD 1 66 THR HA . . 4.040 4.023 3.864 4.110 0.070 8 0 "[ . 1]" 1
64 1 4 PHE QD 1 66 THR MG . . 4.160 4.042 3.531 4.195 0.035 2 0 "[ . 1]" 1
65 1 4 PHE QE 1 14 THR H . . 4.830 4.787 4.521 4.900 0.070 4 0 "[ . 1]" 1
66 1 4 PHE QE 1 64 GLU H . . 4.540 4.482 4.214 4.611 0.071 1 0 "[ . 1]" 1
67 1 4 PHE QE 1 64 GLU HA . . 3.250 2.540 2.129 2.812 . 0 0 "[ . 1]" 1
68 1 4 PHE QE 1 64 GLU HB3 . . 3.270 2.082 1.974 2.337 . 0 0 "[ . 1]" 1
69 1 4 PHE QE 1 64 GLU HG3 . . 4.010 3.810 2.953 4.113 0.103 4 0 "[ . 1]" 1
70 1 4 PHE QE 1 65 SER H . . 4.820 4.759 4.484 4.892 0.072 2 0 "[ . 1]" 1
71 1 5 VAL H 1 5 VAL HB . . 3.750 2.729 2.565 3.031 . 0 0 "[ . 1]" 1
72 1 5 VAL H 1 5 VAL QG . . 3.630 2.570 1.953 2.848 . 0 0 "[ . 1]" 1
73 1 5 VAL H 1 6 LYS H . . 4.520 4.429 4.359 4.519 . 0 0 "[ . 1]" 1
74 1 5 VAL H 1 12 THR HA . . 3.930 2.904 2.400 3.136 . 0 0 "[ . 1]" 1
75 1 5 VAL H 1 12 THR MG . . 3.840 3.551 3.215 3.856 0.016 7 0 "[ . 1]" 1
76 1 5 VAL H 1 13 ILE HB . . 4.680 4.799 4.585 5.041 0.361 8 0 "[ . 1]" 1
77 1 5 VAL H 1 13 ILE MD . . 3.890 3.077 2.002 3.968 0.078 7 0 "[ . 1]" 1
78 1 5 VAL H 1 13 ILE HG13 . . 4.260 2.835 2.120 4.261 0.001 8 0 "[ . 1]" 1
79 1 5 VAL H 1 13 ILE MG . . 4.350 4.474 4.207 4.729 0.379 8 0 "[ . 1]" 1
80 1 5 VAL H 1 66 THR MG . . 4.440 4.444 4.338 4.490 0.050 7 0 "[ . 1]" 1
81 1 5 VAL HA 1 5 VAL QG . . 3.220 2.189 2.119 2.282 . 0 0 "[ . 1]" 1
82 1 5 VAL HA 1 6 LYS H . . 3.040 2.296 2.243 2.346 . 0 0 "[ . 1]" 1
83 1 5 VAL HA 1 66 THR MG . . 3.950 3.854 3.716 4.008 0.058 9 0 "[ . 1]" 1
84 1 5 VAL HA 1 67 LEU H . . 3.800 2.201 1.993 2.399 . 0 0 "[ . 1]" 1
85 1 5 VAL HB 1 6 LYS H . . 4.040 4.073 3.963 4.182 0.142 10 0 "[ . 1]" 1
86 1 5 VAL HB 1 13 ILE H . . 4.380 3.719 3.366 4.644 0.264 8 0 "[ . 1]" 1
87 1 5 VAL QG 1 6 LYS H . . 3.660 2.217 2.022 2.482 . 0 0 "[ . 1]" 1
88 1 5 VAL QG 1 13 ILE H . . 4.570 3.387 1.979 4.021 . 0 0 "[ . 1]" 1
89 1 5 VAL QG 1 69 LEU H . . 3.880 3.785 3.626 3.899 0.019 5 0 "[ . 1]" 1
90 1 5 VAL QG 1 69 LEU HB3 . . 3.200 4.253 3.535 4.562 1.362 5 8 "[** *+*-**1]" 1
91 1 6 LYS H 1 6 LYS HB3 . . 3.780 3.070 2.915 3.523 . 0 0 "[ . 1]" 1
92 1 6 LYS H 1 6 LYS HG3 . . 4.390 4.198 3.666 4.415 0.025 10 0 "[ . 1]" 1
93 1 6 LYS H 1 7 THR MG . . 4.960 4.302 3.898 4.442 . 0 0 "[ . 1]" 1
94 1 6 LYS H 1 66 THR MG . . 3.890 3.876 3.703 3.922 0.032 7 0 "[ . 1]" 1
95 1 6 LYS H 1 67 LEU H . . 4.600 3.447 3.268 3.637 . 0 0 "[ . 1]" 1
96 1 6 LYS H 1 68 HIS HA . . 3.540 3.230 3.013 3.555 0.015 10 0 "[ . 1]" 1
97 1 6 LYS H 1 69 LEU H . . 4.420 3.514 3.337 3.645 . 0 0 "[ . 1]" 1
98 1 6 LYS HA 1 7 THR H . . 3.000 2.876 2.403 3.022 0.022 2 0 "[ . 1]" 1
99 1 6 LYS HA 1 7 THR MG . . 4.180 2.852 2.822 2.918 . 0 0 "[ . 1]" 1
100 1 6 LYS HB3 1 68 HIS HA . . 3.820 2.415 1.994 3.004 . 0 0 "[ . 1]" 1
101 1 7 THR H 1 7 THR HB . . 3.850 3.880 3.847 3.893 0.043 6 0 "[ . 1]" 1
102 1 7 THR H 1 7 THR MG . . 3.350 2.543 2.215 2.700 . 0 0 "[ . 1]" 1
103 1 7 THR H 1 10 GLY H . . 4.700 2.981 2.398 3.282 . 0 0 "[ . 1]" 1
104 1 7 THR H 1 11 LYS H . . 4.110 3.182 2.419 3.549 . 0 0 "[ . 1]" 1
105 1 7 THR HA 1 7 THR MG . . 3.090 3.155 2.950 3.202 0.112 7 0 "[ . 1]" 1
106 1 7 THR HA 1 8 LEU H . . 3.190 2.560 2.512 2.724 . 0 0 "[ . 1]" 1
107 1 7 THR HA 1 9 THR H . . 3.800 3.958 3.934 3.986 0.186 3 0 "[ . 1]" 1
108 1 7 THR HA 1 69 LEU QD . . 4.210 3.279 3.116 3.415 . 0 0 "[ . 1]" 1
109 1 7 THR HB 1 8 LEU H . . 3.280 3.340 2.747 3.452 0.172 7 0 "[ . 1]" 1
110 1 7 THR HB 1 69 LEU H . . 4.210 4.049 3.751 4.256 0.046 4 0 "[ . 1]" 1
111 1 7 THR HB 1 69 LEU HB3 . . 3.770 2.513 1.981 2.796 . 0 0 "[ . 1]" 1
112 1 7 THR HB 1 69 LEU QD . . 3.330 1.944 1.829 2.047 . 0 0 "[ . 1]" 1
113 1 7 THR MG 1 8 LEU H . . 3.910 3.845 3.716 3.915 0.005 6 0 "[ . 1]" 1
114 1 7 THR MG 1 9 THR H . . 4.420 2.848 2.583 3.339 . 0 0 "[ . 1]" 1
115 1 7 THR MG 1 10 GLY H . . 4.330 2.596 1.894 3.334 . 0 0 "[ . 1]" 1
116 1 7 THR MG 1 11 LYS H . . 4.520 2.123 1.898 2.602 . 0 0 "[ . 1]" 1
117 1 7 THR MG 1 11 LYS HA . . 5.020 4.313 3.797 4.875 . 0 0 "[ . 1]" 1
118 1 7 THR MG 1 69 LEU QD . . 2.970 2.900 2.358 3.000 0.030 9 0 "[ . 1]" 1
119 1 8 LEU H 1 8 LEU HB3 . . 3.840 3.015 1.978 3.537 . 0 0 "[ . 1]" 1
120 1 8 LEU H 1 8 LEU QD . . 4.160 2.971 1.942 3.607 . 0 0 "[ . 1]" 1
121 1 8 LEU H 1 8 LEU HG . . 3.620 2.503 1.878 3.749 0.129 8 0 "[ . 1]" 1
122 1 8 LEU H 1 9 THR H . . 3.780 2.689 2.660 2.742 . 0 0 "[ . 1]" 1
123 1 8 LEU H 1 69 LEU QD . . 4.320 4.011 3.758 4.173 . 0 0 "[ . 1]" 1
124 1 8 LEU HA 1 8 LEU QD . . 2.990 2.341 1.947 3.187 0.197 3 0 "[ . 1]" 1
125 1 8 LEU HA 1 8 LEU HG . . 3.460 3.331 3.137 3.590 0.130 8 0 "[ . 1]" 1
126 1 8 LEU HA 1 9 THR HA . . 4.960 4.631 4.559 4.693 . 0 0 "[ . 1]" 1
127 1 8 LEU HA 1 9 THR MG . . 5.070 4.694 4.389 5.112 0.042 4 0 "[ . 1]" 1
128 1 8 LEU HB3 1 9 THR H . . 4.260 4.086 3.594 4.550 0.290 3 0 "[ . 1]" 1
129 1 8 LEU QD 1 9 THR H . . 4.700 3.923 1.946 4.324 . 0 0 "[ . 1]" 1
130 1 8 LEU QD 1 71 LEU H . . 3.790 3.361 2.551 3.737 . 0 0 "[ . 1]" 1
131 1 8 LEU QD 1 71 LEU HA . . 3.460 1.845 1.730 1.958 . 0 0 "[ . 1]" 1
132 1 8 LEU QD 1 72 ARG H . . 4.030 2.709 1.959 3.936 . 0 0 "[ . 1]" 1
133 1 8 LEU HG 1 9 THR H . . 4.510 4.070 3.213 4.500 . 0 0 "[ . 1]" 1
134 1 8 LEU HG 1 71 LEU HA . . 4.380 3.552 2.927 4.045 . 0 0 "[ . 1]" 1
135 1 9 THR H 1 9 THR HB . . 4.130 3.386 2.595 3.665 . 0 0 "[ . 1]" 1
136 1 9 THR H 1 9 THR MG . . 3.370 2.297 1.968 2.580 . 0 0 "[ . 1]" 1
137 1 9 THR HA 1 9 THR MG . . 3.000 2.618 2.299 3.229 0.229 3 0 "[ . 1]" 1
138 1 10 GLY H 1 11 LYS H . . 3.300 2.974 2.379 3.375 0.075 7 0 "[ . 1]" 1
139 1 11 LYS H 1 11 LYS HB3 . . 3.520 3.197 2.705 3.589 0.069 2 0 "[ . 1]" 1
140 1 11 LYS H 1 11 LYS HG3 . . 4.250 3.895 2.365 4.706 0.456 8 0 "[ . 1]" 1
141 1 11 LYS HA 1 11 LYS HG3 . . 4.120 2.640 2.065 3.613 . 0 0 "[ . 1]" 1
142 1 11 LYS HA 1 12 THR H . . 2.880 2.667 2.432 2.801 . 0 0 "[ . 1]" 1
143 1 11 LYS HA 1 12 THR HB . . 4.480 4.106 3.928 4.397 . 0 0 "[ . 1]" 1
144 1 11 LYS HB3 1 12 THR H . . 3.940 2.748 1.944 3.959 0.019 8 0 "[ . 1]" 1
145 1 11 LYS HG3 1 12 THR H . . 3.850 3.605 2.031 4.473 0.623 2 1 "[ + . 1]" 1
146 1 12 THR H 1 12 THR HB . . 3.320 2.699 2.446 3.024 . 0 0 "[ . 1]" 1
147 1 12 THR H 1 12 THR MG . . 3.940 3.736 3.508 3.925 . 0 0 "[ . 1]" 1
148 1 12 THR H 1 13 ILE H . . 4.380 3.996 3.181 4.288 . 0 0 "[ . 1]" 1
149 1 12 THR H 1 13 ILE HA . . 4.660 4.538 4.122 4.726 0.066 8 0 "[ . 1]" 1
150 1 12 THR H 1 13 ILE MG . . 4.180 3.726 3.108 4.118 . 0 0 "[ . 1]" 1
151 1 12 THR HA 1 12 THR MG . . 3.130 2.611 2.430 2.731 . 0 0 "[ . 1]" 1
152 1 12 THR HA 1 13 ILE H . . 3.120 2.187 2.150 2.303 . 0 0 "[ . 1]" 1
153 1 12 THR HA 1 13 ILE MG . . 4.340 4.073 3.928 4.212 . 0 0 "[ . 1]" 1
154 1 12 THR HB 1 13 ILE H . . 4.910 4.569 4.362 4.710 . 0 0 "[ . 1]" 1
155 1 12 THR MG 1 13 ILE H . . 3.600 3.041 2.577 3.628 0.028 10 0 "[ . 1]" 1
156 1 13 ILE H 1 13 ILE MD . . 4.190 2.889 1.910 3.636 . 0 0 "[ . 1]" 1
157 1 13 ILE H 1 13 ILE HG13 . . 3.720 2.378 1.872 3.581 . 0 0 "[ . 1]" 1
158 1 13 ILE H 1 13 ILE MG . . 3.860 3.031 2.641 3.319 . 0 0 "[ . 1]" 1
159 1 13 ILE H 1 14 THR H . . 4.630 4.415 4.297 4.570 . 0 0 "[ . 1]" 1
160 1 13 ILE HA 1 13 ILE MD . . 3.820 3.717 3.456 3.999 0.179 7 0 "[ . 1]" 1
161 1 13 ILE HA 1 13 ILE MG . . 3.160 2.169 2.072 2.234 . 0 0 "[ . 1]" 1
162 1 13 ILE HA 1 14 THR H . . 2.940 2.207 2.180 2.264 . 0 0 "[ . 1]" 1
163 1 13 ILE HA 1 14 THR HB . . 4.980 4.280 4.074 4.487 . 0 0 "[ . 1]" 1
164 1 13 ILE HB 1 13 ILE MD . . 3.340 2.366 1.954 3.151 . 0 0 "[ . 1]" 1
165 1 13 ILE HB 1 14 THR H . . 3.530 3.315 3.038 3.527 . 0 0 "[ . 1]" 1
166 1 13 ILE MG 1 14 THR H . . 3.590 3.745 3.639 3.831 0.241 5 0 "[ . 1]" 1
167 1 14 THR H 1 14 THR HB . . 3.370 2.145 2.011 2.300 . 0 0 "[ . 1]" 1
168 1 14 THR H 1 14 THR MG . . 3.640 3.578 3.236 3.702 0.062 10 0 "[ . 1]" 1
169 1 14 THR HA 1 15 LEU H . . 2.950 2.186 2.149 2.252 . 0 0 "[ . 1]" 1
170 1 14 THR MG 1 15 LEU H . . 3.460 3.103 2.415 3.475 0.015 3 0 "[ . 1]" 1
171 1 14 THR MG 1 15 LEU HA . . 4.180 3.752 3.262 4.186 0.006 10 0 "[ . 1]" 1
172 1 15 LEU H 1 15 LEU HB3 . . 3.820 3.326 3.148 3.561 . 0 0 "[ . 1]" 1
173 1 15 LEU HA 1 15 LEU QD . . 3.120 2.263 1.883 2.879 . 0 0 "[ . 1]" 1
174 1 15 LEU HA 1 16 GLU H . . 2.980 2.528 2.456 2.595 . 0 0 "[ . 1]" 1
175 1 15 LEU HA 1 16 GLU HB3 . . 4.370 4.963 4.273 5.634 1.264 4 5 "[ - +* ** 1]" 1
176 1 15 LEU HB3 1 16 GLU H . . 3.980 2.630 2.419 2.751 . 0 0 "[ . 1]" 1
177 1 15 LEU HB3 1 17 VAL MG2 . . 4.910 3.376 2.859 3.734 . 0 0 "[ . 1]" 1
178 1 15 LEU QD 1 16 GLU H . . 3.700 2.235 1.902 2.791 . 0 0 "[ . 1]" 1
179 1 15 LEU QD 1 29 LYS H . . 4.410 4.296 3.965 4.399 . 0 0 "[ . 1]" 1
180 1 15 LEU QD 1 29 LYS HB3 . . 3.200 2.046 1.846 2.581 . 0 0 "[ . 1]" 1
181 1 16 GLU H 1 16 GLU HB3 . . 3.480 3.324 2.545 3.730 0.250 5 0 "[ . 1]" 1
182 1 16 GLU H 1 17 VAL MG1 . . 3.710 3.291 3.014 3.699 . 0 0 "[ . 1]" 1
183 1 16 GLU HA 1 17 VAL H . . 2.920 2.319 2.203 2.472 . 0 0 "[ . 1]" 1
184 1 16 GLU HA 1 17 VAL MG2 . . 4.150 3.793 3.318 4.075 . 0 0 "[ . 1]" 1
185 1 17 VAL H 1 17 VAL MG1 . . 3.690 3.035 2.580 3.514 . 0 0 "[ . 1]" 1
186 1 17 VAL H 1 17 VAL MG2 . . 3.350 2.037 1.890 2.359 . 0 0 "[ . 1]" 1
187 1 17 VAL HA 1 17 VAL MG1 . . 3.100 2.261 2.057 2.399 . 0 0 "[ . 1]" 1
188 1 17 VAL HA 1 18 GLU H . . 3.250 2.599 2.367 2.832 . 0 0 "[ . 1]" 1
189 1 17 VAL HB 1 18 GLU H . . 3.170 2.263 1.921 2.764 . 0 0 "[ . 1]" 1
190 1 17 VAL HB 1 56 LEU MD1 . . 3.220 2.621 2.246 3.057 . 0 0 "[ . 1]" 1
191 1 17 VAL MG1 1 29 LYS H . . 4.390 4.273 3.949 4.435 0.045 9 0 "[ . 1]" 1
192 1 17 VAL MG1 1 29 LYS HE3 . . 4.370 3.431 2.061 4.387 0.017 10 0 "[ . 1]" 1
193 1 17 VAL MG2 1 18 GLU H . . 4.140 3.393 2.860 3.995 . 0 0 "[ . 1]" 1
194 1 17 VAL MG2 1 56 LEU MD1 . . 2.950 1.923 1.789 2.248 . 0 0 "[ . 1]" 1
195 1 18 GLU H 1 18 GLU HG3 . . 4.700 3.853 3.258 4.631 . 0 0 "[ . 1]" 1
196 1 18 GLU H 1 21 ASP H . . 4.140 3.954 3.756 4.158 0.018 5 0 "[ . 1]" 1
197 1 18 GLU H 1 56 LEU MD1 . . 4.010 3.343 2.766 3.827 . 0 0 "[ . 1]" 1
198 1 18 GLU HA 1 19 PRO HD3 . . 3.440 2.041 1.953 2.115 . 0 0 "[ . 1]" 1
199 1 18 GLU HB3 1 20 SER H . . 4.760 2.159 2.053 2.357 . 0 0 "[ . 1]" 1
200 1 18 GLU HB3 1 21 ASP H . . 4.280 3.107 2.645 3.455 . 0 0 "[ . 1]" 1
201 1 19 PRO HA 1 56 LEU HB3 . . 4.140 3.640 3.295 4.028 . 0 0 "[ . 1]" 1
202 1 19 PRO HA 1 56 LEU MD1 . . 3.890 2.814 2.065 3.408 . 0 0 "[ . 1]" 1
203 1 19 PRO HA 1 57 SER H . . 4.130 3.325 2.914 3.781 . 0 0 "[ . 1]" 1
204 1 20 SER H 1 20 SER HB3 . . 3.590 3.380 2.459 3.745 0.155 6 0 "[ . 1]" 1
205 1 20 SER H 1 21 ASP H . . 3.430 2.347 2.169 2.610 . 0 0 "[ . 1]" 1
206 1 20 SER HA 1 55 THR HB . . 4.160 3.119 2.859 3.381 . 0 0 "[ . 1]" 1
207 1 20 SER HA 1 55 THR MG . . 3.510 3.302 2.691 3.584 0.074 5 0 "[ . 1]" 1
208 1 20 SER HA 1 56 LEU H . . 4.530 4.313 3.812 4.542 0.012 1 0 "[ . 1]" 1
209 1 20 SER HB3 1 55 THR MG . . 4.960 4.488 3.712 4.996 0.036 4 0 "[ . 1]" 1
210 1 21 ASP H 1 21 ASP HB3 . . 3.630 3.438 2.459 3.566 . 0 0 "[ . 1]" 1
211 1 21 ASP H 1 26 VAL MG2 . . 4.470 4.214 3.959 4.511 0.041 3 0 "[ . 1]" 1
212 1 21 ASP H 1 55 THR HB . . 4.710 3.347 2.991 3.547 . 0 0 "[ . 1]" 1
213 1 21 ASP H 1 56 LEU MD1 . . 3.980 3.693 3.353 3.979 . 0 0 "[ . 1]" 1
214 1 21 ASP H 1 56 LEU MD2 . . 4.840 4.686 4.045 4.885 0.045 4 0 "[ . 1]" 1
215 1 21 ASP H 1 56 LEU HG . . 4.620 3.293 2.769 3.545 . 0 0 "[ . 1]" 1
216 1 21 ASP H 1 57 SER H . . 4.460 4.522 4.474 4.571 0.111 1 0 "[ . 1]" 1
217 1 21 ASP HA 1 22 THR H . . 2.900 2.381 2.339 2.457 . 0 0 "[ . 1]" 1
218 1 21 ASP HA 1 22 THR MG . . 4.000 4.043 3.931 4.153 0.153 10 0 "[ . 1]" 1
219 1 21 ASP HB3 1 22 THR H . . 3.870 3.003 2.701 4.093 0.223 6 0 "[ . 1]" 1
220 1 21 ASP HB3 1 25 ASN HD21 . . 5.010 4.291 2.760 6.006 0.996 6 1 "[ .+ 1]" 1
221 1 21 ASP HB3 1 26 VAL MG2 . . 3.820 2.597 2.166 4.062 0.242 6 0 "[ . 1]" 1
222 1 22 THR H 1 22 THR HB . . 3.650 2.631 2.512 3.343 . 0 0 "[ . 1]" 1
223 1 22 THR H 1 22 THR MG . . 3.290 2.082 1.922 2.897 . 0 0 "[ . 1]" 1
224 1 22 THR H 1 23 ILE H . . 4.480 4.627 4.612 4.638 0.158 8 0 "[ . 1]" 1
225 1 22 THR HA 1 23 ILE H . . 3.360 2.332 2.227 2.475 . 0 0 "[ . 1]" 1
226 1 22 THR HA 1 23 ILE MD . . 4.680 3.746 3.161 4.442 . 0 0 "[ . 1]" 1
227 1 22 THR HA 1 55 THR H . . 4.190 4.344 4.215 4.472 0.282 10 0 "[ . 1]" 1
228 1 22 THR HA 1 55 THR MG . . 3.450 2.117 1.954 2.709 . 0 0 "[ . 1]" 1
229 1 22 THR MG 1 23 ILE H . . 4.060 3.599 3.219 3.819 . 0 0 "[ . 1]" 1
230 1 22 THR MG 1 23 ILE HB . . 4.720 4.731 4.589 4.969 0.249 10 0 "[ . 1]" 1
231 1 22 THR MG 1 25 ASN H . . 4.670 2.131 1.711 4.417 . 0 0 "[ . 1]" 1
232 1 23 ILE H 1 23 ILE HB . . 3.670 2.508 2.420 2.583 . 0 0 "[ . 1]" 1
233 1 23 ILE H 1 23 ILE MD . . 3.960 2.704 2.258 3.506 . 0 0 "[ . 1]" 1
234 1 23 ILE H 1 23 ILE HG13 . . 4.040 3.495 3.179 3.582 . 0 0 "[ . 1]" 1
235 1 23 ILE H 1 23 ILE MG . . 3.940 3.714 3.706 3.735 . 0 0 "[ . 1]" 1
236 1 23 ILE H 1 25 ASN H . . 4.880 4.441 3.971 4.961 0.081 7 0 "[ . 1]" 1
237 1 23 ILE H 1 26 VAL MG2 . . 4.580 4.087 3.682 4.531 . 0 0 "[ . 1]" 1
238 1 23 ILE H 1 52 ASP HA . . 4.350 2.789 2.214 3.307 . 0 0 "[ . 1]" 1
239 1 23 ILE H 1 54 ARG H . . 4.820 4.374 4.004 4.712 . 0 0 "[ . 1]" 1
240 1 23 ILE H 1 55 THR HA . . 3.950 2.844 2.535 3.250 . 0 0 "[ . 1]" 1
241 1 23 ILE H 1 55 THR MG . . 4.500 4.008 3.739 4.506 0.006 8 0 "[ . 1]" 1
242 1 23 ILE H 1 59 TYR QE . . 5.080 4.962 4.316 5.209 0.129 9 0 "[ . 1]" 1
243 1 23 ILE HA 1 23 ILE MD . . 3.170 1.954 1.872 2.317 . 0 0 "[ . 1]" 1
244 1 23 ILE HA 1 23 ILE MG . . 3.360 2.370 2.262 2.455 . 0 0 "[ . 1]" 1
245 1 23 ILE HA 1 26 VAL H . . 3.950 3.357 3.160 3.658 . 0 0 "[ . 1]" 1
246 1 23 ILE HA 1 26 VAL HB . . 3.570 2.706 2.419 2.940 . 0 0 "[ . 1]" 1
247 1 23 ILE HA 1 26 VAL MG1 . . 4.250 4.077 3.694 4.269 0.019 3 0 "[ . 1]" 1
248 1 23 ILE HA 1 26 VAL MG2 . . 3.660 2.606 2.261 2.925 . 0 0 "[ . 1]" 1
249 1 23 ILE HA 1 27 LYS H . . 4.710 3.696 3.355 3.951 . 0 0 "[ . 1]" 1
250 1 23 ILE HA 1 52 ASP HA . . 4.920 4.402 4.217 4.590 . 0 0 "[ . 1]" 1
251 1 23 ILE HA 1 56 LEU MD2 . . 4.540 2.685 2.296 3.326 . 0 0 "[ . 1]" 1
252 1 23 ILE HB 1 52 ASP HA . . 3.330 1.955 1.908 2.059 . 0 0 "[ . 1]" 1
253 1 23 ILE HB 1 54 ARG H . . 4.900 4.566 4.169 4.933 0.033 2 0 "[ . 1]" 1
254 1 23 ILE MD 1 23 ILE MG . . 2.640 2.238 1.890 2.411 . 0 0 "[ . 1]" 1
255 1 23 ILE MD 1 26 VAL HB . . 4.370 3.507 3.226 3.841 . 0 0 "[ . 1]" 1
256 1 23 ILE MD 1 52 ASP HA . . 5.100 4.463 4.280 4.703 . 0 0 "[ . 1]" 1
257 1 23 ILE MD 1 55 THR H . . 4.750 4.710 4.411 4.831 0.081 4 0 "[ . 1]" 1
258 1 23 ILE MD 1 55 THR HA . . 4.570 2.954 2.517 3.392 . 0 0 "[ . 1]" 1
259 1 23 ILE MD 1 55 THR HB . . 5.150 4.613 4.346 4.988 . 0 0 "[ . 1]" 1
260 1 23 ILE MD 1 56 LEU H . . 4.130 3.563 3.187 3.725 . 0 0 "[ . 1]" 1
261 1 23 ILE MD 1 56 LEU HG . . 3.830 3.650 3.349 3.857 0.027 3 0 "[ . 1]" 1
262 1 23 ILE MD 1 59 TYR QD . . 3.290 2.320 1.968 2.748 . 0 0 "[ . 1]" 1
263 1 23 ILE MD 1 59 TYR QE . . 3.660 2.848 2.509 3.293 . 0 0 "[ . 1]" 1
264 1 23 ILE HG13 1 54 ARG H . . 4.960 4.204 3.379 4.887 . 0 0 "[ . 1]" 1
265 1 23 ILE HG13 1 59 TYR QD . . 4.560 3.406 3.129 3.656 . 0 0 "[ . 1]" 1
266 1 23 ILE HG13 1 59 TYR QE . . 3.820 2.051 1.956 2.300 . 0 0 "[ . 1]" 1
267 1 23 ILE MG 1 26 VAL HB . . 3.620 3.519 3.322 3.642 0.022 10 0 "[ . 1]" 1
268 1 23 ILE MG 1 50 LEU QD . . 4.130 2.660 2.465 2.869 . 0 0 "[ . 1]" 1
269 1 23 ILE MG 1 51 GLU H . . 4.570 3.615 2.751 4.539 . 0 0 "[ . 1]" 1
270 1 23 ILE MG 1 51 GLU HA . . 4.660 3.231 2.555 3.969 . 0 0 "[ . 1]" 1
271 1 23 ILE MG 1 52 ASP H . . 3.950 3.788 3.497 4.028 0.078 3 0 "[ . 1]" 1
272 1 23 ILE MG 1 52 ASP HA . . 3.470 3.513 3.300 3.629 0.159 9 0 "[ . 1]" 1
273 1 23 ILE MG 1 59 TYR QE . . 4.860 3.377 2.729 3.973 . 0 0 "[ . 1]" 1
274 1 24 GLU HA 1 24 GLU HG3 . . 4.180 2.835 2.066 3.460 . 0 0 "[ . 1]" 1
275 1 24 GLU HA 1 27 LYS H . . 4.210 3.428 3.242 3.712 . 0 0 "[ . 1]" 1
276 1 24 GLU HA 1 28 ALA H . . 4.710 4.321 3.963 4.571 . 0 0 "[ . 1]" 1
277 1 24 GLU HA 1 52 ASP HA . . 4.940 4.288 3.795 4.807 . 0 0 "[ . 1]" 1
278 1 25 ASN H 1 25 ASN HB3 . . 3.640 2.800 2.373 3.557 . 0 0 "[ . 1]" 1
279 1 25 ASN H 1 25 ASN HD21 . . 4.130 4.052 2.062 4.320 0.190 2 0 "[ . 1]" 1
280 1 25 ASN H 1 26 VAL H . . 3.390 2.720 2.223 3.111 . 0 0 "[ . 1]" 1
281 1 25 ASN H 1 26 VAL MG2 . . 4.650 3.861 3.359 4.169 . 0 0 "[ . 1]" 1
282 1 25 ASN H 1 28 ALA MB . . 4.440 3.965 3.785 4.103 . 0 0 "[ . 1]" 1
283 1 25 ASN HA 1 25 ASN HD21 . . 3.510 2.714 1.961 3.700 0.190 10 0 "[ . 1]" 1
284 1 25 ASN HA 1 25 ASN HD22 . . 4.600 3.724 3.226 4.366 . 0 0 "[ . 1]" 1
285 1 25 ASN HA 1 28 ALA H . . 3.930 3.311 3.165 3.475 . 0 0 "[ . 1]" 1
286 1 25 ASN HA 1 28 ALA MB . . 3.230 2.029 1.909 2.294 . 0 0 "[ . 1]" 1
287 1 25 ASN HA 1 29 LYS H . . 5.080 4.111 3.760 4.556 . 0 0 "[ . 1]" 1
288 1 25 ASN HB3 1 26 VAL H . . 3.630 2.508 2.174 3.686 0.056 3 0 "[ . 1]" 1
289 1 25 ASN HD21 1 26 VAL H . . 4.240 3.495 2.532 4.171 . 0 0 "[ . 1]" 1
290 1 25 ASN HD21 1 28 ALA H . . 4.970 4.164 3.578 5.045 0.075 3 0 "[ . 1]" 1
291 1 25 ASN HD21 1 28 ALA MB . . 4.620 3.412 2.373 4.382 . 0 0 "[ . 1]" 1
292 1 25 ASN HD22 1 26 VAL H . . 5.500 5.075 4.246 5.719 0.219 4 0 "[ . 1]" 1
293 1 26 VAL H 1 26 VAL HB . . 3.400 2.601 2.471 2.685 . 0 0 "[ . 1]" 1
294 1 26 VAL H 1 26 VAL MG1 . . 3.720 3.688 3.667 3.712 . 0 0 "[ . 1]" 1
295 1 26 VAL H 1 26 VAL MG2 . . 3.170 1.902 1.850 1.945 . 0 0 "[ . 1]" 1
296 1 26 VAL H 1 28 ALA H . . 4.340 3.679 3.510 3.792 . 0 0 "[ . 1]" 1
297 1 26 VAL H 1 29 LYS H . . 4.700 4.740 4.558 4.865 0.165 10 0 "[ . 1]" 1
298 1 26 VAL HA 1 26 VAL MG1 . . 3.250 2.339 2.248 2.432 . 0 0 "[ . 1]" 1
299 1 26 VAL HA 1 26 VAL MG2 . . 3.240 2.477 2.403 2.519 . 0 0 "[ . 1]" 1
300 1 26 VAL HA 1 29 LYS H . . 3.970 3.414 3.297 3.489 . 0 0 "[ . 1]" 1
301 1 26 VAL HA 1 29 LYS HB3 . . 4.550 4.494 4.261 4.683 0.133 5 0 "[ . 1]" 1
302 1 26 VAL HA 1 30 ILE H . . 5.120 4.791 4.471 5.196 0.076 5 0 "[ . 1]" 1
303 1 26 VAL HB 1 27 LYS H . . 3.770 2.700 2.527 2.818 . 0 0 "[ . 1]" 1
304 1 26 VAL MG2 1 27 LYS H . . 3.590 3.688 3.611 3.776 0.186 10 0 "[ . 1]" 1
305 1 27 LYS H 1 28 ALA H . . 3.730 2.463 2.389 2.547 . 0 0 "[ . 1]" 1
306 1 27 LYS H 1 28 ALA MB . . 4.090 3.920 3.863 3.963 . 0 0 "[ . 1]" 1
307 1 28 ALA H 1 28 ALA MB . . 3.020 2.122 2.026 2.281 . 0 0 "[ . 1]" 1
308 1 28 ALA H 1 29 LYS H . . 3.500 2.266 2.146 2.436 . 0 0 "[ . 1]" 1
309 1 28 ALA H 1 30 ILE H . . 4.950 4.093 3.675 4.318 . 0 0 "[ . 1]" 1
310 1 28 ALA HA 1 31 GLN H . . 3.780 3.389 2.744 3.898 0.118 6 0 "[ . 1]" 1
311 1 28 ALA HA 1 31 GLN HB3 . . 4.140 4.151 4.071 4.236 0.096 2 0 "[ . 1]" 1
312 1 28 ALA MB 1 29 LYS H . . 3.480 2.676 2.419 3.057 . 0 0 "[ . 1]" 1
313 1 29 LYS H 1 29 LYS HB3 . . 3.910 3.392 3.249 3.590 . 0 0 "[ . 1]" 1
314 1 29 LYS H 1 30 ILE H . . 3.790 2.935 2.372 3.179 . 0 0 "[ . 1]" 1
315 1 29 LYS H 1 30 ILE MG . . 5.500 4.927 4.670 5.284 . 0 0 "[ . 1]" 1
316 1 29 LYS H 1 31 GLN H . . 4.630 4.364 4.215 4.583 . 0 0 "[ . 1]" 1
317 1 29 LYS HA 1 32 ASP H . . 3.910 3.528 3.343 4.119 0.209 5 0 "[ . 1]" 1
318 1 29 LYS HA 1 32 ASP HB3 . . 3.970 3.720 3.197 3.983 0.013 5 0 "[ . 1]" 1
319 1 30 ILE H 1 30 ILE HB . . 3.650 3.492 3.387 3.531 . 0 0 "[ . 1]" 1
320 1 30 ILE H 1 30 ILE MG . . 3.660 2.687 2.370 3.472 . 0 0 "[ . 1]" 1
321 1 30 ILE H 1 31 GLN HE21 . . 5.160 4.386 3.760 4.775 . 0 0 "[ . 1]" 1
322 1 30 ILE H 1 32 ASP H . . 4.410 3.845 3.316 3.991 . 0 0 "[ . 1]" 1
323 1 30 ILE HA 1 30 ILE MD . . 4.220 4.076 3.947 4.142 . 0 0 "[ . 1]" 1
324 1 30 ILE HA 1 30 ILE MG . . 3.110 2.039 1.945 2.118 . 0 0 "[ . 1]" 1
325 1 30 ILE HA 1 33 LYS H . . 4.320 2.938 2.782 3.030 . 0 0 "[ . 1]" 1
326 1 30 ILE HA 1 33 LYS HB3 . . 4.370 3.750 3.339 4.309 . 0 0 "[ . 1]" 1
327 1 30 ILE HA 1 34 GLU H . . 4.960 3.929 3.566 4.356 . 0 0 "[ . 1]" 1
328 1 30 ILE HB 1 30 ILE MD . . 3.520 2.281 1.927 2.763 . 0 0 "[ . 1]" 1
329 1 30 ILE HB 1 31 GLN H . . 3.820 3.262 2.839 3.628 . 0 0 "[ . 1]" 1
330 1 30 ILE HB 1 31 GLN HE21 . . 4.050 2.728 2.492 2.926 . 0 0 "[ . 1]" 1
331 1 30 ILE HB 1 31 GLN HE22 . . 4.800 3.624 3.280 3.915 . 0 0 "[ . 1]" 1
332 1 30 ILE MD 1 31 GLN H . . 4.140 3.378 2.719 3.676 . 0 0 "[ . 1]" 1
333 1 30 ILE MG 1 31 GLN H . . 3.960 4.077 4.008 4.164 0.204 7 0 "[ . 1]" 1
334 1 30 ILE MG 1 31 GLN HE21 . . 4.250 4.196 4.108 4.302 0.052 9 0 "[ . 1]" 1
335 1 30 ILE MG 1 33 LYS H . . 4.550 4.600 4.524 4.725 0.175 2 0 "[ . 1]" 1
336 1 31 GLN H 1 31 GLN HB3 . . 3.470 3.550 3.541 3.563 0.093 1 0 "[ . 1]" 1
337 1 31 GLN H 1 31 GLN HE21 . . 4.200 2.197 1.926 2.428 . 0 0 "[ . 1]" 1
338 1 31 GLN H 1 31 GLN HE22 . . 4.870 3.869 3.639 4.060 . 0 0 "[ . 1]" 1
339 1 31 GLN H 1 32 ASP H . . 3.670 2.790 2.691 2.916 . 0 0 "[ . 1]" 1
340 1 31 GLN HA 1 34 GLU H . . 4.710 3.883 3.535 4.335 . 0 0 "[ . 1]" 1
341 1 31 GLN HA 1 35 GLY H . . 3.880 3.276 2.742 3.647 . 0 0 "[ . 1]" 1
342 1 31 GLN HA 1 36 ILE H . . 4.100 2.681 2.552 2.854 . 0 0 "[ . 1]" 1
343 1 31 GLN HB3 1 32 ASP H . . 4.340 4.066 3.847 4.280 . 0 0 "[ . 1]" 1
344 1 31 GLN HB3 1 37 PRO HA . . 3.520 3.148 2.970 3.330 . 0 0 "[ . 1]" 1
345 1 31 GLN HE21 1 36 ILE MG . . 4.540 3.804 3.151 4.762 0.222 7 0 "[ . 1]" 1
346 1 31 GLN HE21 1 38 PRO HA . . 4.830 4.872 4.662 5.004 0.174 9 0 "[ . 1]" 1
347 1 31 GLN HE21 1 38 PRO HG3 . . 5.190 5.303 5.257 5.364 0.174 5 0 "[ . 1]" 1
348 1 31 GLN HE22 1 36 ILE MG . . 4.310 2.835 2.101 3.932 . 0 0 "[ . 1]" 1
349 1 31 GLN HE22 1 38 PRO HA . . 4.950 4.368 4.246 4.534 . 0 0 "[ . 1]" 1
350 1 31 GLN HE22 1 41 GLN HG3 . . 4.750 3.487 2.892 4.190 . 0 0 "[ . 1]" 1
351 1 32 ASP H 1 32 ASP HB3 . . 3.280 3.108 2.923 3.344 0.064 10 0 "[ . 1]" 1
352 1 32 ASP H 1 33 LYS H . . 3.620 2.234 2.172 2.334 . 0 0 "[ . 1]" 1
353 1 32 ASP H 1 35 GLY H . . 4.890 4.479 4.149 5.006 0.116 9 0 "[ . 1]" 1
354 1 32 ASP HB3 1 33 LYS H . . 3.950 3.076 2.476 3.357 . 0 0 "[ . 1]" 1
355 1 32 ASP HB3 1 33 LYS HA . . 3.930 3.834 3.641 3.997 0.067 7 0 "[ . 1]" 1
356 1 33 LYS H 1 33 LYS HB3 . . 3.680 3.507 3.397 3.593 . 0 0 "[ . 1]" 1
357 1 33 LYS H 1 34 GLU H . . 3.610 2.755 2.384 3.176 . 0 0 "[ . 1]" 1
358 1 33 LYS H 1 35 GLY H . . 4.670 4.125 3.367 4.677 0.007 4 0 "[ . 1]" 1
359 1 33 LYS HB3 1 34 GLU H . . 3.610 3.326 2.814 3.780 0.170 8 0 "[ . 1]" 1
360 1 34 GLU H 1 34 GLU HB3 . . 3.730 3.103 2.863 3.501 . 0 0 "[ . 1]" 1
361 1 34 GLU H 1 35 GLY HA3 . . 4.980 4.968 4.707 5.066 0.086 5 0 "[ . 1]" 1
362 1 35 GLY H 1 36 ILE H . . 4.570 2.076 1.809 2.337 . 0 0 "[ . 1]" 1
363 1 36 ILE H 1 36 ILE MD . . 5.270 4.251 3.982 4.480 . 0 0 "[ . 1]" 1
364 1 36 ILE H 1 36 ILE HG13 . . 5.010 4.525 3.865 4.823 . 0 0 "[ . 1]" 1
365 1 36 ILE HA 1 36 ILE MD . . 4.340 3.994 3.944 4.040 . 0 0 "[ . 1]" 1
366 1 36 ILE HA 1 36 ILE HG13 . . 4.120 3.052 2.819 3.396 . 0 0 "[ . 1]" 1
367 1 36 ILE HA 1 36 ILE MG . . 3.370 3.033 2.688 3.163 . 0 0 "[ . 1]" 1
368 1 36 ILE HA 1 37 PRO HD3 . . 3.530 1.943 1.918 1.994 . 0 0 "[ . 1]" 1
369 1 36 ILE HB 1 36 ILE HG13 . . 2.970 2.364 2.290 2.480 . 0 0 "[ . 1]" 1
370 1 36 ILE MD 1 41 GLN HG3 . . 3.610 2.470 1.877 3.132 . 0 0 "[ . 1]" 1
371 1 37 PRO HA 1 40 GLN HE22 . . 4.300 4.516 4.343 4.973 0.673 7 1 "[ . + 1]" 1
372 1 37 PRO HB3 1 40 GLN HE21 . . 4.380 4.241 3.898 4.439 0.059 6 0 "[ . 1]" 1
373 1 37 PRO HB3 1 40 GLN HE22 . . 5.180 3.582 3.482 3.849 . 0 0 "[ . 1]" 1
374 1 37 PRO HG3 1 40 GLN HE21 . . 4.740 3.870 3.695 4.047 . 0 0 "[ . 1]" 1
375 1 38 PRO HA 1 41 GLN H . . 4.680 2.977 2.397 3.574 . 0 0 "[ . 1]" 1
376 1 39 ASP H 1 39 ASP HB3 . . 3.780 3.325 2.680 3.520 . 0 0 "[ . 1]" 1
377 1 39 ASP H 1 40 GLN H . . 3.370 2.778 2.538 2.887 . 0 0 "[ . 1]" 1
378 1 39 ASP H 1 41 GLN H . . 4.880 4.675 4.080 4.918 0.038 8 0 "[ . 1]" 1
379 1 39 ASP HA 1 39 ASP HB3 . . 3.020 2.838 2.735 3.056 0.036 8 0 "[ . 1]" 1
380 1 39 ASP HB3 1 40 GLN H . . 4.820 3.484 2.821 3.996 . 0 0 "[ . 1]" 1
381 1 40 GLN H 1 40 GLN HB3 . . 3.460 3.546 3.426 3.601 0.141 2 0 "[ . 1]" 1
382 1 40 GLN H 1 40 GLN HE22 . . 4.880 2.773 2.569 3.225 . 0 0 "[ . 1]" 1
383 1 40 GLN H 1 41 GLN H . . 3.330 2.448 1.950 2.652 . 0 0 "[ . 1]" 1
384 1 40 GLN H 1 41 GLN HG3 . . 5.130 4.899 3.484 5.640 0.510 8 1 "[ . + 1]" 1
385 1 40 GLN H 1 73 LEU QD . . 4.740 4.131 3.676 4.408 . 0 0 "[ . 1]" 1
386 1 40 GLN HA 1 40 GLN HE21 . . 4.950 3.860 3.235 4.189 . 0 0 "[ . 1]" 1
387 1 40 GLN HB3 1 73 LEU QD . . 3.440 2.230 1.741 3.161 . 0 0 "[ . 1]" 1
388 1 41 GLN H 1 41 GLN HB3 . . 3.950 3.392 2.795 3.589 . 0 0 "[ . 1]" 1
389 1 41 GLN H 1 41 GLN HG3 . . 4.280 2.863 1.952 3.582 . 0 0 "[ . 1]" 1
390 1 41 GLN H 1 73 LEU QD . . 4.550 3.734 3.116 4.281 . 0 0 "[ . 1]" 1
391 1 41 GLN HA 1 42 ARG H . . 3.350 2.516 2.293 2.844 . 0 0 "[ . 1]" 1
392 1 41 GLN HA 1 69 LEU QD . . 3.750 3.393 2.882 3.731 . 0 0 "[ . 1]" 1
393 1 41 GLN HB3 1 69 LEU QD . . 3.630 2.372 1.802 2.972 . 0 0 "[ . 1]" 1
394 1 42 ARG H 1 42 ARG HB3 . . 3.990 3.585 3.071 3.843 . 0 0 "[ . 1]" 1
395 1 42 ARG H 1 69 LEU HA . . 5.010 4.281 3.615 4.972 . 0 0 "[ . 1]" 1
396 1 42 ARG H 1 69 LEU QD . . 4.080 2.500 1.964 3.255 . 0 0 "[ . 1]" 1
397 1 42 ARG H 1 70 VAL H . . 4.560 3.497 3.154 3.899 . 0 0 "[ . 1]" 1
398 1 42 ARG H 1 70 VAL MG1 . . 3.970 3.874 3.388 4.826 0.856 3 1 "[ + . 1]" 1
399 1 42 ARG H 1 70 VAL MG2 . . 4.800 2.308 1.843 3.477 . 0 0 "[ . 1]" 1
400 1 42 ARG HA 1 42 ARG HG3 . . 3.870 2.749 2.152 3.573 . 0 0 "[ . 1]" 1
401 1 42 ARG HA 1 43 LEU H . . 3.110 2.368 2.227 2.658 . 0 0 "[ . 1]" 1
402 1 42 ARG HA 1 43 LEU QD . . 4.520 3.085 2.699 3.626 . 0 0 "[ . 1]" 1
403 1 42 ARG HG3 1 43 LEU H . . 4.430 4.369 3.683 4.834 0.404 7 0 "[ . 1]" 1
404 1 43 LEU H 1 43 LEU HB3 . . 3.940 3.340 2.235 3.572 . 0 0 "[ . 1]" 1
405 1 43 LEU H 1 43 LEU QD . . 3.600 2.262 1.662 2.895 . 0 0 "[ . 1]" 1
406 1 43 LEU HA 1 43 LEU QD . . 2.950 2.276 1.917 2.901 . 0 0 "[ . 1]" 1
407 1 43 LEU HA 1 44 ILE H . . 3.050 2.337 2.285 2.445 . 0 0 "[ . 1]" 1
408 1 43 LEU HA 1 44 ILE HG13 . . 4.310 4.730 4.576 4.913 0.603 7 2 "[ - + 1]" 1
409 1 43 LEU HA 1 50 LEU QD . . 4.560 4.380 3.957 4.852 0.292 2 0 "[ . 1]" 1
410 1 43 LEU HB3 1 44 ILE H . . 4.210 3.085 2.749 4.318 0.108 2 0 "[ . 1]" 1
411 1 43 LEU QD 1 44 ILE H . . 3.720 2.894 2.359 3.697 . 0 0 "[ . 1]" 1
412 1 44 ILE H 1 44 ILE HB . . 3.620 2.756 2.642 2.861 . 0 0 "[ . 1]" 1
413 1 44 ILE H 1 44 ILE MD . . 4.100 4.066 3.740 4.285 0.185 2 0 "[ . 1]" 1
414 1 44 ILE H 1 44 ILE HG13 . . 3.890 3.977 3.721 4.134 0.244 6 0 "[ . 1]" 1
415 1 44 ILE H 1 44 ILE MG . . 3.990 3.887 3.841 3.937 . 0 0 "[ . 1]" 1
416 1 44 ILE H 1 50 LEU QD . . 4.680 3.587 3.223 3.890 . 0 0 "[ . 1]" 1
417 1 44 ILE H 1 68 HIS H . . 3.780 2.345 2.140 2.795 . 0 0 "[ . 1]" 1
418 1 44 ILE H 1 68 HIS HB3 . . 5.250 4.936 4.617 5.266 0.016 8 0 "[ . 1]" 1
419 1 44 ILE H 1 69 LEU QD . . 4.840 4.772 4.709 4.872 0.032 10 0 "[ . 1]" 1
420 1 44 ILE HA 1 44 ILE MD . . 3.580 2.308 2.181 2.476 . 0 0 "[ . 1]" 1
421 1 44 ILE HA 1 44 ILE HG13 . . 4.200 3.806 3.751 3.849 . 0 0 "[ . 1]" 1
422 1 44 ILE HA 1 44 ILE MG . . 3.350 2.357 2.279 2.404 . 0 0 "[ . 1]" 1
423 1 44 ILE HA 1 45 PHE H . . 3.130 2.365 2.217 2.520 . 0 0 "[ . 1]" 1
424 1 44 ILE HA 1 50 LEU H . . 4.270 2.967 2.411 4.267 . 0 0 "[ . 1]" 1
425 1 44 ILE HA 1 50 LEU HB3 . . 3.780 4.320 3.691 4.668 0.888 5 6 "[* * + ** -]" 1
426 1 44 ILE HA 1 50 LEU QD . . 4.410 2.919 2.154 3.299 . 0 0 "[ . 1]" 1
427 1 44 ILE HB 1 45 PHE H . . 4.040 3.813 3.592 4.098 0.058 8 0 "[ . 1]" 1
428 1 44 ILE HB 1 68 HIS H . . 4.120 2.627 2.513 2.706 . 0 0 "[ . 1]" 1
429 1 44 ILE HB 1 68 HIS HB3 . . 3.510 3.158 3.017 3.524 0.014 5 0 "[ . 1]" 1
430 1 44 ILE HB 1 68 HIS HD2 . . 4.390 4.421 4.048 4.528 0.138 9 0 "[ . 1]" 1
431 1 44 ILE MD 1 45 PHE H . . 4.470 3.678 3.494 3.927 . 0 0 "[ . 1]" 1
432 1 44 ILE MD 1 47 GLY HA2 . . 4.620 4.507 4.315 4.651 0.031 5 0 "[ . 1]" 1
433 1 44 ILE MD 1 49 GLN H . . 4.270 4.258 4.008 4.353 0.083 4 0 "[ . 1]" 1
434 1 44 ILE MD 1 49 GLN HA . . 3.380 2.196 1.839 2.358 . 0 0 "[ . 1]" 1
435 1 44 ILE MD 1 50 LEU H . . 4.010 2.922 2.005 4.073 0.063 6 0 "[ . 1]" 1
436 1 44 ILE HG13 1 49 GLN HA . . 4.700 5.169 4.546 5.351 0.651 9 6 "[*-* . *+*]" 1
437 1 44 ILE HG13 1 68 HIS HB3 . . 5.000 4.102 3.970 4.474 . 0 0 "[ . 1]" 1
438 1 44 ILE MG 1 45 PHE H . . 3.460 2.053 1.759 2.588 . 0 0 "[ . 1]" 1
439 1 44 ILE MG 1 46 ALA H . . 3.960 4.034 3.993 4.079 0.119 5 0 "[ . 1]" 1
440 1 44 ILE MG 1 47 GLY H . . 3.400 2.729 2.452 3.333 . 0 0 "[ . 1]" 1
441 1 44 ILE MG 1 47 GLY HA2 . . 3.900 2.656 2.465 2.970 . 0 0 "[ . 1]" 1
442 1 44 ILE MG 1 47 GLY HA3 . . 4.210 3.999 3.773 4.259 0.049 2 0 "[ . 1]" 1
443 1 44 ILE MG 1 48 LYS H . . 3.650 2.767 2.180 3.568 . 0 0 "[ . 1]" 1
444 1 44 ILE MG 1 49 GLN HA . . 3.790 3.465 2.965 3.888 0.098 2 0 "[ . 1]" 1
445 1 44 ILE MG 1 50 LEU QD . . 4.190 3.740 3.370 4.008 . 0 0 "[ . 1]" 1
446 1 44 ILE MG 1 68 HIS HD2 . . 4.970 4.269 4.044 4.438 . 0 0 "[ . 1]" 1
447 1 45 PHE H 1 45 PHE HB3 . . 4.150 2.913 2.728 3.052 . 0 0 "[ . 1]" 1
448 1 45 PHE H 1 45 PHE QD . . 4.630 4.429 4.355 4.475 . 0 0 "[ . 1]" 1
449 1 45 PHE H 1 46 ALA H . . 4.590 4.038 3.984 4.096 . 0 0 "[ . 1]" 1
450 1 45 PHE H 1 46 ALA MB . . 4.680 4.384 4.167 4.502 . 0 0 "[ . 1]" 1
451 1 45 PHE H 1 47 GLY H . . 4.650 3.212 2.804 3.684 . 0 0 "[ . 1]" 1
452 1 45 PHE H 1 48 LYS H . . 3.760 2.748 2.191 3.517 . 0 0 "[ . 1]" 1
453 1 45 PHE H 1 50 LEU HB3 . . 4.040 5.542 5.130 5.809 1.769 5 10 [*-**+*****] 1
454 1 45 PHE H 1 50 LEU QD . . 3.870 2.733 2.467 3.038 . 0 0 "[ . 1]" 1
455 1 45 PHE HA 1 45 PHE QD . . 3.160 2.478 2.338 2.632 . 0 0 "[ . 1]" 1
456 1 45 PHE HA 1 46 ALA H . . 2.980 2.196 2.193 2.203 . 0 0 "[ . 1]" 1
457 1 45 PHE HA 1 50 LEU QD . . 4.660 3.671 3.497 3.906 . 0 0 "[ . 1]" 1
458 1 45 PHE HB3 1 50 LEU QD . . 3.560 1.805 1.742 1.907 . 0 0 "[ . 1]" 1
459 1 45 PHE HB3 1 67 LEU QD . . 4.330 3.248 3.134 3.392 . 0 0 "[ . 1]" 1
460 1 45 PHE QD 1 46 ALA H . . 3.880 3.667 3.388 3.824 . 0 0 "[ . 1]" 1
461 1 45 PHE QD 1 46 ALA MB . . 3.660 3.083 2.890 3.346 . 0 0 "[ . 1]" 1
462 1 45 PHE QD 1 50 LEU QD . . 3.800 2.853 2.709 3.017 . 0 0 "[ . 1]" 1
463 1 45 PHE QD 1 61 ILE HA . . 4.780 4.301 4.106 4.413 . 0 0 "[ . 1]" 1
464 1 45 PHE QD 1 61 ILE HB . . 4.980 4.863 4.674 5.014 0.034 3 0 "[ . 1]" 1
465 1 45 PHE QD 1 61 ILE MD . . 3.390 2.731 2.410 2.960 . 0 0 "[ . 1]" 1
466 1 45 PHE QD 1 61 ILE HG13 . . 4.000 2.511 2.301 2.659 . 0 0 "[ . 1]" 1
467 1 45 PHE QD 1 61 ILE MG . . 4.390 4.128 4.056 4.211 . 0 0 "[ . 1]" 1
468 1 45 PHE QD 1 65 SER HB3 . . 4.560 4.360 3.472 5.625 1.065 1 3 "[+- * 1]" 1
469 1 45 PHE QD 1 66 THR H . . 4.710 3.764 3.377 4.716 0.006 9 0 "[ . 1]" 1
470 1 45 PHE QD 1 67 LEU HA . . 3.560 2.602 2.117 2.797 . 0 0 "[ . 1]" 1
471 1 45 PHE QD 1 67 LEU QD . . 3.590 1.835 1.720 2.820 . 0 0 "[ . 1]" 1
472 1 45 PHE QD 1 67 LEU HG . . 4.150 4.125 2.189 4.374 0.224 8 0 "[ . 1]" 1
473 1 45 PHE QD 1 68 HIS H . . 4.900 4.544 4.298 4.731 . 0 0 "[ . 1]" 1
474 1 45 PHE QE 1 46 ALA H . . 4.790 4.811 4.561 4.911 0.121 5 0 "[ . 1]" 1
475 1 45 PHE QE 1 46 ALA MB . . 3.790 3.855 3.812 3.931 0.141 8 0 "[ . 1]" 1
476 1 45 PHE QE 1 61 ILE HA . . 4.020 2.739 2.449 2.917 . 0 0 "[ . 1]" 1
477 1 45 PHE QE 1 61 ILE MD . . 4.310 3.778 3.695 3.881 . 0 0 "[ . 1]" 1
478 1 45 PHE QE 1 61 ILE HG13 . . 4.320 2.403 2.283 2.584 . 0 0 "[ . 1]" 1
479 1 45 PHE QE 1 61 ILE MG . . 4.270 3.693 3.553 3.882 . 0 0 "[ . 1]" 1
480 1 45 PHE QE 1 62 GLN H . . 4.370 4.249 3.920 4.479 0.109 6 0 "[ . 1]" 1
481 1 45 PHE QE 1 65 SER HA . . 4.010 3.423 2.803 3.647 . 0 0 "[ . 1]" 1
482 1 45 PHE QE 1 65 SER HB3 . . 3.470 3.010 2.292 4.056 0.586 1 1 "[+ . 1]" 1
483 1 45 PHE QE 1 66 THR H . . 3.770 2.467 1.941 3.819 0.049 9 0 "[ . 1]" 1
484 1 45 PHE QE 1 67 LEU QD . . 4.310 2.971 2.752 3.913 . 0 0 "[ . 1]" 1
485 1 45 PHE HZ 1 61 ILE HA . . 3.940 2.672 2.269 3.170 . 0 0 "[ . 1]" 1
486 1 45 PHE HZ 1 61 ILE MD . . 4.890 4.862 4.727 4.951 0.061 3 0 "[ . 1]" 1
487 1 45 PHE HZ 1 61 ILE MG . . 4.680 3.899 3.673 4.149 . 0 0 "[ . 1]" 1
488 1 45 PHE HZ 1 62 GLN H . . 4.490 3.592 3.022 4.130 . 0 0 "[ . 1]" 1
489 1 45 PHE HZ 1 65 SER HA . . 4.510 4.318 3.270 4.558 0.048 10 0 "[ . 1]" 1
490 1 45 PHE HZ 1 65 SER HB3 . . 4.120 4.022 3.083 4.485 0.365 1 0 "[ . 1]" 1
491 1 46 ALA H 1 46 ALA MB . . 3.440 2.918 2.857 3.003 . 0 0 "[ . 1]" 1
492 1 46 ALA H 1 47 GLY H . . 3.740 2.826 2.527 3.779 0.039 2 0 "[ . 1]" 1
493 1 46 ALA HA 1 47 GLY H . . 3.420 3.263 2.918 3.641 0.221 2 0 "[ . 1]" 1
494 1 46 ALA MB 1 47 GLY H . . 4.040 3.226 2.074 3.722 . 0 0 "[ . 1]" 1
495 1 46 ALA MB 1 48 LYS H . . 4.350 3.443 2.692 4.152 . 0 0 "[ . 1]" 1
496 1 47 GLY H 1 48 LYS H . . 3.720 2.370 1.854 2.725 . 0 0 "[ . 1]" 1
497 1 48 LYS HA 1 49 GLN H . . 2.820 2.407 2.290 2.536 . 0 0 "[ . 1]" 1
498 1 49 GLN HA 1 50 LEU H . . 3.100 2.457 2.202 3.354 0.254 6 0 "[ . 1]" 1
499 1 49 GLN HA 1 50 LEU HB3 . . 4.210 5.485 5.268 5.729 1.519 6 10 [*****+-***] 1
500 1 49 GLN HA 1 50 LEU QD . . 4.920 4.232 4.044 4.406 . 0 0 "[ . 1]" 1
501 1 50 LEU H 1 50 LEU HB3 . . 3.180 3.448 3.162 3.974 0.794 7 2 "[ .-+ 1]" 1
502 1 50 LEU H 1 50 LEU QD . . 4.030 2.690 1.817 3.088 . 0 0 "[ . 1]" 1
503 1 50 LEU HA 1 50 LEU QD . . 3.210 1.868 1.764 2.075 . 0 0 "[ . 1]" 1
504 1 50 LEU HA 1 51 GLU H . . 3.190 2.339 2.177 3.581 0.391 3 0 "[ . 1]" 1
505 1 50 LEU HA 1 59 TYR QD . . 3.810 3.661 3.252 3.909 0.099 2 0 "[ . 1]" 1
506 1 50 LEU HA 1 59 TYR QE . . 4.090 2.229 1.966 2.705 . 0 0 "[ . 1]" 1
507 1 50 LEU HB3 1 50 LEU QD . . 2.840 2.244 1.976 2.513 . 0 0 "[ . 1]" 1
508 1 50 LEU HB3 1 59 TYR QE . . 4.710 3.572 3.297 3.924 . 0 0 "[ . 1]" 1
509 1 50 LEU QD 1 51 GLU H . . 4.180 3.519 3.259 3.814 . 0 0 "[ . 1]" 1
510 1 50 LEU QD 1 59 TYR HB3 . . 5.070 3.087 2.449 3.392 . 0 0 "[ . 1]" 1
511 1 50 LEU QD 1 59 TYR QD . . 3.680 1.943 1.815 2.377 . 0 0 "[ . 1]" 1
512 1 50 LEU QD 1 59 TYR QE . . 3.840 2.362 1.941 2.835 . 0 0 "[ . 1]" 1
513 1 51 GLU H 1 52 ASP H . . 4.230 4.469 4.234 4.557 0.327 5 0 "[ . 1]" 1
514 1 51 GLU H 1 59 TYR QE . . 3.910 2.547 2.113 4.035 0.125 3 0 "[ . 1]" 1
515 1 51 GLU HA 1 51 GLU HG3 . . 3.850 2.790 2.192 3.181 . 0 0 "[ . 1]" 1
516 1 51 GLU HA 1 52 ASP H . . 2.870 2.395 2.255 2.542 . 0 0 "[ . 1]" 1
517 1 51 GLU HA 1 52 ASP HB3 . . 5.040 4.814 4.355 5.970 0.930 2 1 "[ + . 1]" 1
518 1 51 GLU HB3 1 52 ASP H . . 3.940 3.659 3.232 3.992 0.052 10 0 "[ . 1]" 1
519 1 51 GLU HG3 1 52 ASP H . . 4.650 2.569 1.909 4.049 . 0 0 "[ . 1]" 1
520 1 52 ASP H 1 52 ASP HB3 . . 3.510 2.500 2.097 3.580 0.070 2 0 "[ . 1]" 1
521 1 54 ARG H 1 54 ARG HB3 . . 4.170 3.749 3.639 3.862 . 0 0 "[ . 1]" 1
522 1 54 ARG H 1 54 ARG HG3 . . 3.960 3.662 3.177 4.224 0.264 7 0 "[ . 1]" 1
523 1 54 ARG H 1 55 THR H . . 4.990 4.330 4.123 4.471 . 0 0 "[ . 1]" 1
524 1 54 ARG H 1 59 TYR QE . . 4.510 3.199 1.929 4.137 . 0 0 "[ . 1]" 1
525 1 54 ARG HA 1 54 ARG HD3 . . 4.560 3.287 2.200 3.785 . 0 0 "[ . 1]" 1
526 1 54 ARG HA 1 54 ARG HE . . 4.770 3.999 3.125 4.902 0.132 7 0 "[ . 1]" 1
527 1 54 ARG HA 1 54 ARG HG3 . . 3.790 3.624 2.444 3.914 0.124 8 0 "[ . 1]" 1
528 1 54 ARG HA 1 55 THR H . . 3.160 2.819 2.500 3.074 . 0 0 "[ . 1]" 1
529 1 54 ARG HA 1 55 THR MG . . 3.950 3.369 3.118 3.533 . 0 0 "[ . 1]" 1
530 1 54 ARG HA 1 59 TYR QE . . 5.060 4.555 3.797 4.933 . 0 0 "[ . 1]" 1
531 1 54 ARG HB3 1 54 ARG HE . . 4.720 3.596 2.448 4.452 . 0 0 "[ . 1]" 1
532 1 54 ARG HB3 1 55 THR H . . 3.650 2.034 1.892 2.495 . 0 0 "[ . 1]" 1
533 1 54 ARG HB3 1 59 TYR QD . . 4.710 3.903 3.636 4.235 . 0 0 "[ . 1]" 1
534 1 54 ARG HB3 1 59 TYR QE . . 3.780 3.346 2.961 3.799 0.019 3 0 "[ . 1]" 1
535 1 54 ARG HD3 1 59 TYR QE . . 4.470 4.022 1.997 4.892 0.422 7 0 "[ . 1]" 1
536 1 54 ARG HE 1 58 ASP HB3 . . 4.830 3.964 1.948 4.656 . 0 0 "[ . 1]" 1
537 1 54 ARG HG3 1 55 THR H . . 4.400 4.572 4.202 5.113 0.713 5 2 "[ + -1]" 1
538 1 54 ARG HG3 1 59 TYR QE . . 4.710 2.642 2.007 3.873 . 0 0 "[ . 1]" 1
539 1 55 THR H 1 55 THR MG . . 3.500 2.539 2.101 2.745 . 0 0 "[ . 1]" 1
540 1 55 THR H 1 56 LEU H . . 4.890 4.370 4.285 4.451 . 0 0 "[ . 1]" 1
541 1 55 THR H 1 58 ASP H . . 4.360 3.273 3.103 3.574 . 0 0 "[ . 1]" 1
542 1 55 THR H 1 58 ASP HB3 . . 4.090 3.443 3.244 3.957 . 0 0 "[ . 1]" 1
543 1 55 THR H 1 59 TYR QE . . 5.000 4.555 4.016 4.867 . 0 0 "[ . 1]" 1
544 1 55 THR HA 1 55 THR MG . . 3.260 2.432 2.346 2.583 . 0 0 "[ . 1]" 1
545 1 55 THR HA 1 56 LEU H . . 3.330 2.770 2.630 2.850 . 0 0 "[ . 1]" 1
546 1 55 THR HA 1 57 SER H . . 4.760 4.687 4.605 4.793 0.033 7 0 "[ . 1]" 1
547 1 55 THR HB 1 56 LEU H . . 3.340 2.057 1.912 2.236 . 0 0 "[ . 1]" 1
548 1 55 THR HB 1 56 LEU MD2 . . 4.520 4.181 3.734 4.356 . 0 0 "[ . 1]" 1
549 1 55 THR HB 1 57 SER H . . 3.520 3.144 2.868 3.448 . 0 0 "[ . 1]" 1
550 1 55 THR HB 1 58 ASP H . . 4.710 4.053 3.796 4.298 . 0 0 "[ . 1]" 1
551 1 55 THR MG 1 56 LEU H . . 3.830 3.690 3.551 3.856 0.026 8 0 "[ . 1]" 1
552 1 55 THR MG 1 57 SER H . . 4.440 4.461 4.349 4.544 0.104 1 0 "[ . 1]" 1
553 1 55 THR MG 1 58 ASP H . . 4.720 4.346 3.852 4.532 . 0 0 "[ . 1]" 1
554 1 56 LEU H 1 56 LEU MD1 . . 3.620 3.640 3.568 3.696 0.076 5 0 "[ . 1]" 1
555 1 56 LEU H 1 56 LEU MD2 . . 3.800 2.742 2.483 2.905 . 0 0 "[ . 1]" 1
556 1 56 LEU H 1 56 LEU HG . . 3.390 2.019 1.930 2.114 . 0 0 "[ . 1]" 1
557 1 56 LEU H 1 57 SER H . . 3.430 2.499 2.339 2.745 . 0 0 "[ . 1]" 1
558 1 56 LEU H 1 61 ILE HB . . 4.400 4.586 4.509 4.643 0.243 4 0 "[ . 1]" 1
559 1 56 LEU HA 1 56 LEU MD1 . . 3.930 3.865 3.786 3.908 . 0 0 "[ . 1]" 1
560 1 56 LEU HA 1 56 LEU MD2 . . 3.110 2.023 1.951 2.192 . 0 0 "[ . 1]" 1
561 1 56 LEU HA 1 56 LEU HG . . 4.240 3.428 3.366 3.560 . 0 0 "[ . 1]" 1
562 1 56 LEU HA 1 59 TYR H . . 4.770 3.215 2.963 3.361 . 0 0 "[ . 1]" 1
563 1 56 LEU HA 1 59 TYR HB3 . . 5.250 4.075 3.613 4.843 . 0 0 "[ . 1]" 1
564 1 56 LEU HA 1 61 ILE H . . 4.970 3.296 2.914 3.661 . 0 0 "[ . 1]" 1
565 1 56 LEU HA 1 61 ILE HB . . 3.920 2.169 2.000 2.404 . 0 0 "[ . 1]" 1
566 1 56 LEU HA 1 61 ILE MD . . 3.500 2.316 1.983 2.671 . 0 0 "[ . 1]" 1
567 1 56 LEU HA 1 61 ILE HG13 . . 5.110 3.984 3.862 4.176 . 0 0 "[ . 1]" 1
568 1 56 LEU HA 1 61 ILE MG . . 4.190 3.390 3.300 3.467 . 0 0 "[ . 1]" 1
569 1 56 LEU HB3 1 57 SER H . . 3.980 3.972 3.863 4.060 0.080 6 0 "[ . 1]" 1
570 1 56 LEU HB3 1 61 ILE H . . 4.600 3.558 3.186 3.879 . 0 0 "[ . 1]" 1
571 1 56 LEU HB3 1 61 ILE HB . . 2.810 1.908 1.861 1.954 . 0 0 "[ . 1]" 1
572 1 56 LEU HB3 1 61 ILE MG . . 3.880 1.925 1.876 1.974 . 0 0 "[ . 1]" 1
573 1 56 LEU MD1 1 61 ILE MG . . 2.970 2.343 1.953 2.631 . 0 0 "[ . 1]" 1
574 1 56 LEU MD2 1 57 SER H . . 4.450 4.441 4.247 4.526 0.076 2 0 "[ . 1]" 1
575 1 56 LEU MD2 1 59 TYR QD . . 4.490 3.876 3.561 4.255 . 0 0 "[ . 1]" 1
576 1 56 LEU MD2 1 61 ILE H . . 4.890 4.642 4.217 4.954 0.064 2 0 "[ . 1]" 1
577 1 56 LEU MD2 1 61 ILE HB . . 3.240 2.944 2.483 3.268 0.028 2 0 "[ . 1]" 1
578 1 56 LEU HG 1 57 SER H . . 3.990 3.935 3.610 4.065 0.075 5 0 "[ . 1]" 1
579 1 56 LEU HG 1 61 ILE MG . . 4.570 4.114 3.878 4.258 . 0 0 "[ . 1]" 1
580 1 57 SER H 1 57 SER HB3 . . 3.690 2.586 2.369 2.736 . 0 0 "[ . 1]" 1
581 1 57 SER H 1 58 ASP H . . 3.390 2.706 2.586 2.858 . 0 0 "[ . 1]" 1
582 1 57 SER H 1 59 TYR H . . 4.980 3.967 3.798 4.321 . 0 0 "[ . 1]" 1
583 1 57 SER H 1 60 ASN H . . 4.730 4.733 4.613 4.822 0.092 4 0 "[ . 1]" 1
584 1 57 SER HA 1 59 TYR H . . 4.820 4.008 3.796 4.334 . 0 0 "[ . 1]" 1
585 1 57 SER HA 1 60 ASN H . . 3.740 3.201 3.099 3.358 . 0 0 "[ . 1]" 1
586 1 57 SER HA 1 60 ASN HA . . 4.100 3.418 3.112 3.636 . 0 0 "[ . 1]" 1
587 1 57 SER HA 1 61 ILE H . . 4.200 3.555 3.193 4.002 . 0 0 "[ . 1]" 1
588 1 57 SER HB3 1 58 ASP H . . 4.510 3.722 2.706 4.217 . 0 0 "[ . 1]" 1
589 1 58 ASP H 1 58 ASP HB3 . . 3.710 3.476 3.256 3.552 . 0 0 "[ . 1]" 1
590 1 58 ASP H 1 59 TYR H . . 3.580 2.519 2.205 2.716 . 0 0 "[ . 1]" 1
591 1 58 ASP H 1 59 TYR QD . . 4.520 4.412 4.077 4.618 0.098 10 0 "[ . 1]" 1
592 1 58 ASP H 1 60 ASN H . . 4.140 3.775 3.423 4.002 . 0 0 "[ . 1]" 1
593 1 58 ASP HB3 1 59 TYR H . . 4.760 3.668 3.329 3.910 . 0 0 "[ . 1]" 1
594 1 58 ASP HB3 1 59 TYR QE . . 4.900 3.679 3.194 4.242 . 0 0 "[ . 1]" 1
595 1 59 TYR H 1 59 TYR HB3 . . 3.490 3.453 3.382 3.527 0.037 6 0 "[ . 1]" 1
596 1 59 TYR H 1 59 TYR QE . . 4.800 4.879 4.818 4.945 0.145 4 0 "[ . 1]" 1
597 1 59 TYR H 1 60 ASN H . . 3.340 2.367 2.285 2.422 . 0 0 "[ . 1]" 1
598 1 59 TYR H 1 60 ASN HA . . 4.380 4.472 4.406 4.537 0.157 3 0 "[ . 1]" 1
599 1 59 TYR HA 1 59 TYR QD . . 3.060 2.203 1.966 2.536 . 0 0 "[ . 1]" 1
600 1 59 TYR HA 1 59 TYR QE . . 4.460 4.424 4.355 4.529 0.069 5 0 "[ . 1]" 1
601 1 59 TYR HA 1 61 ILE MD . . 4.530 4.421 4.214 4.586 0.056 10 0 "[ . 1]" 1
602 1 59 TYR HB3 1 61 ILE H . . 4.640 3.655 3.220 4.328 . 0 0 "[ . 1]" 1
603 1 59 TYR HB3 1 61 ILE MD . . 3.610 2.277 1.998 2.598 . 0 0 "[ . 1]" 1
604 1 59 TYR HB3 1 61 ILE HG13 . . 4.230 2.494 2.288 2.836 . 0 0 "[ . 1]" 1
605 1 59 TYR QD 1 60 ASN H . . 4.380 4.445 4.370 4.815 0.435 5 0 "[ . 1]" 1
606 1 59 TYR QD 1 61 ILE HG13 . . 4.590 3.963 3.845 4.166 . 0 0 "[ . 1]" 1
607 1 60 ASN H 1 60 ASN HA . . 2.870 2.175 2.167 2.187 . 0 0 "[ . 1]" 1
608 1 60 ASN H 1 60 ASN HD21 . . 4.920 4.015 2.742 4.723 . 0 0 "[ . 1]" 1
609 1 60 ASN H 1 61 ILE H . . 3.560 2.532 2.418 2.688 . 0 0 "[ . 1]" 1
610 1 60 ASN H 1 61 ILE HB . . 4.970 4.526 4.415 4.664 . 0 0 "[ . 1]" 1
611 1 60 ASN H 1 61 ILE MD . . 4.950 4.867 4.663 5.006 0.056 9 0 "[ . 1]" 1
612 1 60 ASN H 1 61 ILE HG13 . . 5.100 4.556 4.416 4.645 . 0 0 "[ . 1]" 1
613 1 60 ASN HA 1 61 ILE H . . 3.500 3.080 2.893 3.197 . 0 0 "[ . 1]" 1
614 1 61 ILE H 1 61 ILE HB . . 3.390 2.216 2.186 2.264 . 0 0 "[ . 1]" 1
615 1 61 ILE H 1 61 ILE MD . . 4.190 3.419 3.237 3.546 . 0 0 "[ . 1]" 1
616 1 61 ILE H 1 61 ILE HG13 . . 3.850 2.706 2.547 2.880 . 0 0 "[ . 1]" 1
617 1 61 ILE H 1 61 ILE MG . . 4.150 3.626 3.590 3.664 . 0 0 "[ . 1]" 1
618 1 61 ILE H 1 62 GLN H . . 4.640 4.114 3.967 4.220 . 0 0 "[ . 1]" 1
619 1 61 ILE HA 1 61 ILE MD . . 4.240 3.798 3.775 3.824 . 0 0 "[ . 1]" 1
620 1 61 ILE HA 1 61 ILE HG13 . . 3.770 2.584 2.478 2.660 . 0 0 "[ . 1]" 1
621 1 61 ILE HA 1 61 ILE MG . . 3.440 2.550 2.508 2.591 . 0 0 "[ . 1]" 1
622 1 61 ILE HA 1 62 GLN H . . 3.020 2.294 2.245 2.376 . 0 0 "[ . 1]" 1
623 1 61 ILE HA 1 62 GLN HA . . 4.960 4.407 4.276 4.437 . 0 0 "[ . 1]" 1
624 1 61 ILE HB 1 62 GLN H . . 5.050 4.641 4.626 4.659 . 0 0 "[ . 1]" 1
625 1 61 ILE HG13 1 62 GLN H . . 4.840 4.814 4.730 4.883 0.043 10 0 "[ . 1]" 1
626 1 61 ILE MG 1 62 GLN H . . 3.720 3.583 3.496 3.708 . 0 0 "[ . 1]" 1
627 1 61 ILE MG 1 62 GLN HA . . 4.820 3.991 3.374 4.087 . 0 0 "[ . 1]" 1
628 1 61 ILE MG 1 65 SER HA . . 4.890 4.633 4.361 4.915 0.025 7 0 "[ . 1]" 1
629 1 61 ILE MG 1 65 SER HB3 . . 3.740 2.736 2.461 3.093 . 0 0 "[ . 1]" 1
630 1 61 ILE MG 1 67 LEU QD . . 3.090 2.689 2.500 2.828 . 0 0 "[ . 1]" 1
631 1 61 ILE MG 1 67 LEU HG . . 4.240 4.219 3.970 4.299 0.059 4 0 "[ . 1]" 1
632 1 62 GLN H 1 62 GLN HB3 . . 3.750 3.070 2.503 3.555 . 0 0 "[ . 1]" 1
633 1 62 GLN H 1 62 GLN HG3 . . 4.060 3.340 2.500 3.943 . 0 0 "[ . 1]" 1
634 1 62 GLN H 1 63 LYS H . . 4.700 4.436 4.258 4.596 . 0 0 "[ . 1]" 1
635 1 62 GLN HA 1 62 GLN HE21 . . 4.860 4.529 3.818 4.820 . 0 0 "[ . 1]" 1
636 1 62 GLN HA 1 62 GLN HG3 . . 3.750 3.454 2.643 3.776 0.026 9 0 "[ . 1]" 1
637 1 62 GLN HA 1 63 LYS H . . 3.180 2.753 2.314 2.956 . 0 0 "[ . 1]" 1
638 1 63 LYS H 1 63 LYS HB3 . . 3.390 3.160 2.066 4.023 0.633 6 1 "[ .+ 1]" 1
639 1 63 LYS HA 1 64 GLU H . . 3.070 2.448 2.186 2.689 . 0 0 "[ . 1]" 1
640 1 63 LYS HA 1 64 GLU HG3 . . 4.410 4.557 4.003 5.911 1.501 8 2 "[ - . + 1]" 1
641 1 63 LYS HA 1 65 SER H . . 4.240 3.685 3.163 4.414 0.174 6 0 "[ . 1]" 1
642 1 63 LYS HB3 1 64 GLU H . . 4.420 3.158 2.164 4.073 . 0 0 "[ . 1]" 1
643 1 64 GLU H 1 64 GLU HG3 . . 4.370 2.620 2.056 4.160 . 0 0 "[ . 1]" 1
644 1 64 GLU H 1 65 SER H . . 3.770 2.971 2.496 3.517 . 0 0 "[ . 1]" 1
645 1 64 GLU HA 1 64 GLU HG3 . . 4.020 2.836 2.260 3.751 . 0 0 "[ . 1]" 1
646 1 64 GLU HB3 1 65 SER H . . 5.070 4.513 4.376 4.608 . 0 0 "[ . 1]" 1
647 1 65 SER H 1 65 SER HB3 . . 3.830 3.087 2.240 3.594 . 0 0 "[ . 1]" 1
648 1 65 SER H 1 66 THR H . . 4.830 4.374 2.603 4.616 . 0 0 "[ . 1]" 1
649 1 65 SER H 1 67 LEU QD . . 4.930 4.415 4.103 4.895 . 0 0 "[ . 1]" 1
650 1 65 SER HA 1 66 THR H . . 3.000 2.641 2.368 3.647 0.647 9 1 "[ . +1]" 1
651 1 65 SER HA 1 66 THR HB . . 4.850 4.603 4.519 4.717 . 0 0 "[ . 1]" 1
652 1 65 SER HB3 1 66 THR H . . 3.940 2.976 2.134 4.114 0.174 5 0 "[ . 1]" 1
653 1 65 SER HB3 1 67 LEU QD . . 4.020 2.945 2.208 4.377 0.357 5 0 "[ . 1]" 1
654 1 66 THR H 1 66 THR HB . . 3.460 2.881 2.641 3.796 0.336 9 0 "[ . 1]" 1
655 1 66 THR H 1 66 THR MG . . 4.120 3.926 3.871 3.986 . 0 0 "[ . 1]" 1
656 1 66 THR H 1 67 LEU H . . 5.070 3.945 3.062 4.206 . 0 0 "[ . 1]" 1
657 1 66 THR H 1 67 LEU HA . . 4.500 4.557 4.376 4.793 0.293 9 0 "[ . 1]" 1
658 1 66 THR HA 1 66 THR MG . . 3.290 2.333 2.289 2.406 . 0 0 "[ . 1]" 1
659 1 66 THR HA 1 67 LEU H . . 3.120 2.174 2.149 2.271 . 0 0 "[ . 1]" 1
660 1 66 THR MG 1 67 LEU H . . 3.720 3.322 3.125 3.709 . 0 0 "[ . 1]" 1
661 1 66 THR MG 1 68 HIS HD2 . . 4.130 4.153 4.130 4.199 0.069 2 0 "[ . 1]" 1
662 1 67 LEU H 1 67 LEU HB3 . . 3.880 3.608 3.572 3.644 . 0 0 "[ . 1]" 1
663 1 67 LEU H 1 67 LEU QD . . 3.730 2.002 1.884 2.471 . 0 0 "[ . 1]" 1
664 1 67 LEU H 1 67 LEU HG . . 4.070 3.949 2.998 4.134 0.064 6 0 "[ . 1]" 1
665 1 67 LEU H 1 68 HIS H . . 4.700 4.573 4.476 4.607 . 0 0 "[ . 1]" 1
666 1 67 LEU HA 1 67 LEU QD . . 3.660 1.996 1.858 2.946 . 0 0 "[ . 1]" 1
667 1 67 LEU HA 1 67 LEU HG . . 4.050 3.516 2.438 3.708 . 0 0 "[ . 1]" 1
668 1 67 LEU HA 1 68 HIS H . . 3.230 2.418 2.296 2.688 . 0 0 "[ . 1]" 1
669 1 67 LEU HA 1 68 HIS HD2 . . 4.420 3.159 2.201 3.395 . 0 0 "[ . 1]" 1
670 1 67 LEU QD 1 68 HIS H . . 4.120 3.400 3.352 3.440 . 0 0 "[ . 1]" 1
671 1 67 LEU QD 1 68 HIS HD2 . . 4.480 4.306 4.163 4.392 . 0 0 "[ . 1]" 1
672 1 68 HIS H 1 68 HIS HB3 . . 4.160 3.637 3.572 3.820 . 0 0 "[ . 1]" 1
673 1 68 HIS H 1 68 HIS HD2 . . 4.160 3.056 2.617 3.583 . 0 0 "[ . 1]" 1
674 1 68 HIS H 1 69 LEU H . . 5.160 4.329 4.106 4.443 . 0 0 "[ . 1]" 1
675 1 68 HIS HA 1 68 HIS HD2 . . 4.160 3.732 3.498 3.892 . 0 0 "[ . 1]" 1
676 1 68 HIS HA 1 69 LEU H . . 2.990 2.189 2.185 2.194 . 0 0 "[ . 1]" 1
677 1 68 HIS HB3 1 69 LEU H . . 4.320 3.566 3.477 3.757 . 0 0 "[ . 1]" 1
678 1 69 LEU H 1 69 LEU HB3 . . 3.480 2.957 2.173 3.219 . 0 0 "[ . 1]" 1
679 1 69 LEU H 1 69 LEU QD . . 4.020 3.695 3.658 3.721 . 0 0 "[ . 1]" 1
680 1 69 LEU H 1 69 LEU HG . . 4.020 3.828 3.627 4.128 0.108 10 0 "[ . 1]" 1
681 1 69 LEU H 1 70 VAL H . . 4.770 4.521 4.306 4.630 . 0 0 "[ . 1]" 1
682 1 69 LEU HA 1 69 LEU QD . . 3.310 2.029 1.948 2.127 . 0 0 "[ . 1]" 1
683 1 69 LEU HA 1 69 LEU HG . . 3.750 2.741 2.536 3.441 . 0 0 "[ . 1]" 1
684 1 69 LEU HA 1 70 VAL H . . 3.040 2.516 2.240 2.931 . 0 0 "[ . 1]" 1
685 1 69 LEU HA 1 70 VAL MG1 . . 3.340 3.462 3.136 4.047 0.707 1 2 "[+ - . 1]" 1
686 1 69 LEU HB3 1 69 LEU QD . . 3.090 2.136 2.085 2.199 . 0 0 "[ . 1]" 1
687 1 69 LEU QD 1 70 VAL H . . 4.080 1.946 1.760 2.194 . 0 0 "[ . 1]" 1
688 1 70 VAL H 1 70 VAL HB . . 3.950 3.664 3.502 3.888 . 0 0 "[ . 1]" 1
689 1 70 VAL H 1 70 VAL MG1 . . 3.540 2.750 1.940 3.426 . 0 0 "[ . 1]" 1
690 1 70 VAL H 1 70 VAL MG2 . . 3.410 2.094 1.825 2.314 . 0 0 "[ . 1]" 1
691 1 70 VAL H 1 71 LEU H . . 4.620 4.411 4.291 4.576 . 0 0 "[ . 1]" 1
692 1 70 VAL HA 1 70 VAL MG1 . . 3.120 2.336 2.058 2.549 . 0 0 "[ . 1]" 1
693 1 70 VAL HA 1 70 VAL MG2 . . 3.550 3.196 3.180 3.219 . 0 0 "[ . 1]" 1
694 1 70 VAL HA 1 71 LEU H . . 2.930 2.673 2.438 2.932 0.002 10 0 "[ . 1]" 1
695 1 70 VAL HA 1 71 LEU QD . . 4.310 3.631 3.273 4.125 . 0 0 "[ . 1]" 1
696 1 70 VAL HB 1 71 LEU H . . 3.340 2.217 1.947 2.590 . 0 0 "[ . 1]" 1
697 1 70 VAL MG2 1 71 LEU H . . 3.910 3.087 1.909 3.897 . 0 0 "[ . 1]" 1
698 1 71 LEU H 1 71 LEU QD . . 3.500 2.092 1.756 2.615 . 0 0 "[ . 1]" 1
699 1 71 LEU HA 1 72 ARG H . . 2.940 2.423 2.177 2.850 . 0 0 "[ . 1]" 1
700 1 72 ARG HA 1 73 LEU H . . 2.940 2.594 2.261 2.977 0.037 7 0 "[ . 1]" 1
701 1 72 ARG HB3 1 72 ARG HE . . 4.550 4.007 2.588 4.545 . 0 0 "[ . 1]" 1
702 1 73 LEU HA 1 73 LEU QD . . 3.270 2.497 1.873 3.172 . 0 0 "[ . 1]" 1
703 1 73 LEU HA 1 74 ARG H . . 2.960 2.789 2.632 3.015 0.055 4 0 "[ . 1]" 1
704 1 73 LEU HB3 1 73 LEU QD . . 3.220 2.167 1.919 2.514 . 0 0 "[ . 1]" 1
705 1 73 LEU HB3 1 74 ARG H . . 3.620 2.183 1.923 3.478 . 0 0 "[ . 1]" 1
706 1 73 LEU HB3 1 74 ARG HE . . 4.180 3.499 2.661 4.215 0.035 7 0 "[ . 1]" 1
707 1 73 LEU QD 1 74 ARG H . . 4.160 2.995 1.843 3.606 . 0 0 "[ . 1]" 1
708 1 73 LEU QD 1 74 ARG HE . . 3.790 3.049 2.144 3.573 . 0 0 "[ . 1]" 1
709 1 74 ARG HA 1 75 GLY H . . 3.250 2.396 2.226 2.923 . 0 0 "[ . 1]" 1
710 1 74 ARG HB3 1 75 GLY H . . 4.440 3.550 3.155 3.996 . 0 0 "[ . 1]" 1
711 1 75 GLY H 1 76 GLY H . . 4.200 3.400 2.177 4.124 . 0 0 "[ . 1]" 1
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