Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 30686
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D TROSY-[1H-15N] HSQC' . . . 30686 1
2 '3D TROSY-HNCO' . . . 30686 1
3 '3D TROSY-HN(CA)CO' . . . 30686 1
4 '3D TROSY-HNCACB' . . . 30686 1
5 '3D TROSY-C(CO)NH' . . . 30686 1
6 '3D TROSY-HBHA(CBCA)NH' . . . 30686 1
7 '3D TROSY-H(CCO)NH' . . . 30686 1
8 '2D NOESY' . . . 30686 1
9 '3D NOESY' . . . 30686 1
10 '2D IPAP' . . . 30686 1
11 '2D 1H-15N HSQC' . . . 30686 1
12 '3D NOESY' . . . 30686 1
13 '2D IPAP' . . . 30686 1
stop_
loop_
_Systematic_chem_shift_offset.Type
_Systematic_chem_shift_offset.Atom_type
_Systematic_chem_shift_offset.Atom_isotope_number
_Systematic_chem_shift_offset.Val
_Systematic_chem_shift_offset.Val_err
_Systematic_chem_shift_offset.Entry_ID
_Systematic_chem_shift_offset.Assigned_chem_shift_list_ID
'TROSY offset' 'amide nitrogens' 15 0.48 0.02 30686 1
'TROSY offset' 'amide protons' 1 -0.056 0.006 30686 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Ambiguity_set_ID
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 2 . 2 2 2 SER HB2 H 1 3.806 0.02 0.597 2 . . . . B -1 SER HB2 . 30686 1
2 . 2 . 2 2 2 SER HB3 H 1 3.789 0.02 0.838 2 . . . . B -1 SER HB3 . 30686 1
3 . 2 . 2 2 2 SER C C 13 174.400 0.20 1.000 1 . . . . B -1 SER C . 30686 1
4 . 2 . 2 2 2 SER CA C 13 59.250 0.20 1.000 1 . . . . B -1 SER CA . 30686 1
5 . 2 . 2 2 2 SER CB C 13 63.980 0.20 1.000 1 . . . . B -1 SER CB . 30686 1
6 . 2 . 2 3 3 ALA H H 1 8.507 0.02 1.000 1 . . . . B 95 ALA H . 30686 1
7 . 2 . 2 3 3 ALA HA H 1 4.268 0.02 1.000 1 . . . . B 95 ALA HA . 30686 1
8 . 2 . 2 3 3 ALA HB1 H 1 1.351 0.02 1.000 1 . . . . B 95 ALA HB1 . 30686 1
9 . 2 . 2 3 3 ALA HB2 H 1 1.351 0.02 1.000 1 . . . . B 95 ALA HB2 . 30686 1
10 . 2 . 2 3 3 ALA HB3 H 1 1.351 0.02 1.000 1 . . . . B 95 ALA HB3 . 30686 1
11 . 2 . 2 3 3 ALA C C 13 178.200 0.20 1.000 1 . . . . B 95 ALA C . 30686 1
12 . 2 . 2 3 3 ALA CB C 13 19.110 0.20 1.000 1 . . . . B 95 ALA CB . 30686 1
13 . 2 . 2 3 3 ALA N N 15 126.875 0.20 1.000 1 . . . . B 95 ALA N . 30686 1
14 . 2 . 2 4 4 GLY H H 1 8.359 0.02 1.000 1 . . . . B 96 GLY H . 30686 1
15 . 2 . 2 4 4 GLY HA2 H 1 3.875 0.02 0.893 2 . . . . B 96 GLY HA2 . 30686 1
16 . 2 . 2 4 4 GLY HA3 H 1 3.875 0.02 0.391 2 . . . . B 96 GLY HA3 . 30686 1
17 . 2 . 2 4 4 GLY C C 13 174.500 0.20 1.000 1 . . . . B 96 GLY C . 30686 1
18 . 2 . 2 4 4 GLY CA C 13 45.410 0.20 0.734 1 . . . . B 96 GLY CA . 30686 1
19 . 2 . 2 4 4 GLY N N 15 108.820 0.20 1.000 1 . . . . B 96 GLY N . 30686 1
20 . 2 . 2 5 5 LEU H H 1 8.071 0.02 1.000 1 . . . . B 97 LEU H . 30686 1
21 . 2 . 2 5 5 LEU HA H 1 4.204 0.02 1.000 1 . . . . B 97 LEU HA . 30686 1
22 . 2 . 2 5 5 LEU HB2 H 1 1.554 0.02 0.522 2 . . . . B 97 LEU HB2 . 30686 1
23 . 2 . 2 5 5 LEU HB3 H 1 1.547 0.02 0.485 2 . . . . B 97 LEU HB3 . 30686 1
24 . 2 . 2 5 5 LEU HD11 H 1 0.808 0.02 0.596 2 . . . . B 97 LEU HD11 . 30686 1
25 . 2 . 2 5 5 LEU HD12 H 1 0.808 0.02 0.596 2 . . . . B 97 LEU HD12 . 30686 1
26 . 2 . 2 5 5 LEU HD13 H 1 0.808 0.02 0.596 2 . . . . B 97 LEU HD13 . 30686 1
27 . 2 . 2 5 5 LEU HD21 H 1 0.808 0.02 0.498 2 . . . . B 97 LEU HD21 . 30686 1
28 . 2 . 2 5 5 LEU HD22 H 1 0.808 0.02 0.498 2 . . . . B 97 LEU HD22 . 30686 1
29 . 2 . 2 5 5 LEU HD23 H 1 0.808 0.02 0.498 2 . . . . B 97 LEU HD23 . 30686 1
30 . 2 . 2 5 5 LEU C C 13 178.000 0.20 1.000 1 . . . . B 97 LEU C . 30686 1
31 . 2 . 2 5 5 LEU CA C 13 55.890 0.20 1.000 1 . . . . B 97 LEU CA . 30686 1
32 . 2 . 2 5 5 LEU CB C 13 42.360 0.20 1.000 1 . . . . B 97 LEU CB . 30686 1
33 . 2 . 2 5 5 LEU CG C 13 26.640 0.20 1.000 1 . . . . B 97 LEU CG . 30686 1
34 . 2 . 2 5 5 LEU CD1 C 13 23.480 0.20 0.895 2 . . . . B 97 LEU CD1 . 30686 1
35 . 2 . 2 5 5 LEU CD2 C 13 23.480 0.20 0.882 2 . . . . B 97 LEU CD2 . 30686 1
36 . 2 . 2 5 5 LEU N N 15 122.360 0.20 1.000 1 . . . . B 97 LEU N . 30686 1
37 . 2 . 2 6 6 GLN H H 1 8.482 0.02 1.000 1 . . . . B 98 GLN H . 30686 1
38 . 2 . 2 6 6 GLN HA H 1 4.220 0.02 1.000 1 . . . . B 98 GLN HA . 30686 1
39 . 2 . 2 6 6 GLN HB2 H 1 2.018 0.02 0.224 2 . . . . B 98 GLN HB2 . 30686 1
40 . 2 . 2 6 6 GLN HB3 H 1 1.973 0.02 0.242 2 . . . . B 98 GLN HB3 . 30686 1
41 . 2 . 2 6 6 GLN HG2 H 1 2.319 0.02 0.630 2 . . . . B 98 GLN HG2 . 30686 1
42 . 2 . 2 6 6 GLN HG3 H 1 2.319 0.02 0.422 2 . . . . B 98 GLN HG3 . 30686 1
43 . 2 . 2 6 6 GLN C C 13 176.900 0.20 1.000 1 . . . . B 98 GLN C . 30686 1
44 . 2 . 2 6 6 GLN CA C 13 56.740 0.20 1.000 1 . . . . B 98 GLN CA . 30686 1
45 . 2 . 2 6 6 GLN CB C 13 29.060 0.20 1.000 1 . . . . B 98 GLN CB . 30686 1
46 . 2 . 2 6 6 GLN CG C 13 34.030 0.20 1.000 1 . . . . B 98 GLN CG . 30686 1
47 . 2 . 2 6 6 GLN N N 15 121.242 0.20 1.000 1 . . . . B 98 GLN N . 30686 1
48 . 2 . 2 7 7 GLU H H 1 8.466 0.02 1.000 1 . . . . B 99 GLU H . 30686 1
49 . 2 . 2 7 7 GLU HA H 1 4.094 0.02 1.000 1 . . . . B 99 GLU HA . 30686 1
50 . 2 . 2 7 7 GLU HB2 H 1 2.007 0.02 0.492 2 . . . . B 99 GLU HB2 . 30686 1
51 . 2 . 2 7 7 GLU HB3 H 1 1.949 0.02 0.577 2 . . . . B 99 GLU HB3 . 30686 1
52 . 2 . 2 7 7 GLU HG2 H 1 2.221 0.02 0.502 2 . . . . B 99 GLU HG2 . 30686 1
53 . 2 . 2 7 7 GLU HG3 H 1 2.221 0.02 0.461 2 . . . . B 99 GLU HG3 . 30686 1
54 . 2 . 2 7 7 GLU C C 13 177.600 0.20 1.000 1 . . . . B 99 GLU C . 30686 1
55 . 2 . 2 7 7 GLU CA C 13 58.170 0.20 1.000 1 . . . . B 99 GLU CA . 30686 1
56 . 2 . 2 7 7 GLU CB C 13 29.930 0.20 1.000 1 . . . . B 99 GLU CB . 30686 1
57 . 2 . 2 7 7 GLU CG C 13 36.240 0.20 1.000 1 . . . . B 99 GLU CG . 30686 1
58 . 2 . 2 7 7 GLU N N 15 122.440 0.20 1.000 1 . . . . B 99 GLU N . 30686 1
59 . 2 . 2 8 8 LYS H H 1 8.245 0.02 1.000 1 . . . . B 100 LYS H . 30686 1
60 . 2 . 2 8 8 LYS HA H 1 4.146 0.02 1.000 1 . . . . B 100 LYS HA . 30686 1
61 . 2 . 2 8 8 LYS HB2 H 1 1.793 0.02 0.310 2 . . . . B 100 LYS HB2 . 30686 1
62 . 2 . 2 8 8 LYS HB3 H 1 1.792 0.02 0.483 2 . . . . B 100 LYS HB3 . 30686 1
63 . 2 . 2 8 8 LYS HG2 H 1 1.387 0.02 0.476 2 . . . . B 100 LYS HG2 . 30686 1
64 . 2 . 2 8 8 LYS HG3 H 1 1.387 0.02 0.453 2 . . . . B 100 LYS HG3 . 30686 1
65 . 2 . 2 8 8 LYS C C 13 177.900 0.20 1.000 1 . . . . B 100 LYS C . 30686 1
66 . 2 . 2 8 8 LYS CA C 13 57.650 0.20 1.000 1 . . . . B 100 LYS CA . 30686 1
67 . 2 . 2 8 8 LYS CB C 13 32.440 0.20 1.000 1 . . . . B 100 LYS CB . 30686 1
68 . 2 . 2 8 8 LYS CG C 13 24.530 0.20 1.000 1 . . . . B 100 LYS CG . 30686 1
69 . 2 . 2 8 8 LYS CD C 13 28.550 0.20 1.000 1 . . . . B 100 LYS CD . 30686 1
70 . 2 . 2 8 8 LYS CE C 13 40.930 0.20 1.000 1 . . . . B 100 LYS CE . 30686 1
71 . 2 . 2 8 8 LYS N N 15 121.548 0.20 1.000 1 . . . . B 100 LYS N . 30686 1
72 . 2 . 2 9 9 GLU H H 1 8.253 0.02 1.000 1 . . . . B 101 GLU H . 30686 1
73 . 2 . 2 9 9 GLU HA H 1 4.082 0.02 1.000 1 . . . . B 101 GLU HA . 30686 1
74 . 2 . 2 9 9 GLU HB2 H 1 2.018 0.02 0.652 2 . . . . B 101 GLU HB2 . 30686 1
75 . 2 . 2 9 9 GLU HB3 H 1 1.993 0.02 0.490 2 . . . . B 101 GLU HB3 . 30686 1
76 . 2 . 2 9 9 GLU HG2 H 1 2.250 0.02 0.581 2 . . . . B 101 GLU HG2 . 30686 1
77 . 2 . 2 9 9 GLU HG3 H 1 2.250 0.02 0.340 2 . . . . B 101 GLU HG3 . 30686 1
78 . 2 . 2 9 9 GLU C C 13 178.000 0.20 1.000 1 . . . . B 101 GLU C . 30686 1
79 . 2 . 2 9 9 GLU CA C 13 58.400 0.20 0.781 1 . . . . B 101 GLU CA . 30686 1
80 . 2 . 2 9 9 GLU CB C 13 29.700 0.20 0.889 1 . . . . B 101 GLU CB . 30686 1
81 . 2 . 2 9 9 GLU CG C 13 36.260 0.20 1.000 1 . . . . B 101 GLU CG . 30686 1
82 . 2 . 2 9 9 GLU N N 15 121.015 0.20 1.000 1 . . . . B 101 GLU N . 30686 1
83 . 2 . 2 10 10 ARG H H 1 8.103 0.02 1.000 1 . . . . B 102 ARG H . 30686 1
84 . 2 . 2 10 10 ARG HA H 1 4.219 0.02 1.000 1 . . . . B 102 ARG HA . 30686 1
85 . 2 . 2 10 10 ARG HB2 H 1 1.790 0.02 0.495 2 . . . . B 102 ARG HB2 . 30686 1
86 . 2 . 2 10 10 ARG HB3 H 1 1.710 0.02 0.484 2 . . . . B 102 ARG HB3 . 30686 1
87 . 2 . 2 10 10 ARG HG2 H 1 1.352 0.02 0.497 2 . . . . B 102 ARG HG2 . 30686 1
88 . 2 . 2 10 10 ARG HG3 H 1 1.352 0.02 0.494 2 . . . . B 102 ARG HG3 . 30686 1
89 . 2 . 2 10 10 ARG HD2 H 1 3.090 0.02 0.464 2 . . . . B 102 ARG HD2 . 30686 1
90 . 2 . 2 10 10 ARG HD3 H 1 3.090 0.02 0.464 2 . . . . B 102 ARG HD3 . 30686 1
91 . 2 . 2 10 10 ARG C C 13 176.700 0.20 1.000 1 . . . . B 102 ARG C . 30686 1
92 . 2 . 2 10 10 ARG CA C 13 57.780 0.20 1.000 1 . . . . B 102 ARG CA . 30686 1
93 . 2 . 2 10 10 ARG CB C 13 30.230 0.20 0.870 1 . . . . B 102 ARG CB . 30686 1
94 . 2 . 2 10 10 ARG CG C 13 27.020 0.20 0.870 1 . . . . B 102 ARG CG . 30686 1
95 . 2 . 2 10 10 ARG N N 15 121.591 0.20 1.000 1 . . . . B 102 ARG N . 30686 1
96 . 2 . 2 11 11 GLU H H 1 8.285 0.02 1.000 1 . . . . B 103 GLU H . 30686 1
97 . 2 . 2 11 11 GLU HA H 1 4.192 0.02 0.752 1 . . . . B 103 GLU HA . 30686 1
98 . 2 . 2 11 11 GLU HB2 H 1 1.959 0.02 0.475 2 . . . . B 103 GLU HB2 . 30686 1
99 . 2 . 2 11 11 GLU HB3 H 1 1.959 0.02 0.544 2 . . . . B 103 GLU HB3 . 30686 1
100 . 2 . 2 11 11 GLU C C 13 176.000 0.20 1.000 1 . . . . B 103 GLU C . 30686 1
101 . 2 . 2 11 11 GLU CA C 13 55.920 0.20 1.000 1 . . . . B 103 GLU CA . 30686 1
102 . 2 . 2 11 11 GLU CB C 13 29.480 0.20 1.000 1 . . . . B 103 GLU CB . 30686 1
103 . 2 . 2 11 11 GLU N N 15 121.496 0.20 1.000 1 . . . . B 103 GLU N . 30686 1
104 . 2 . 2 12 12 LEU HA H 1 4.203 0.02 1.000 1 . . . . B 104 LEU HA . 30686 1
105 . 2 . 2 12 12 LEU HB2 H 1 1.547 0.02 0.522 2 . . . . B 104 LEU HB2 . 30686 1
106 . 2 . 2 12 12 LEU HB3 H 1 1.546 0.02 0.505 2 . . . . B 104 LEU HB3 . 30686 1
107 . 2 . 2 12 12 LEU HD11 H 1 0.836 0.02 0.560 2 . . . . B 104 LEU HD11 . 30686 1
108 . 2 . 2 12 12 LEU HD12 H 1 0.836 0.02 0.560 2 . . . . B 104 LEU HD12 . 30686 1
109 . 2 . 2 12 12 LEU HD13 H 1 0.836 0.02 0.560 2 . . . . B 104 LEU HD13 . 30686 1
110 . 2 . 2 12 12 LEU HD21 H 1 0.836 0.02 0.539 2 . . . . B 104 LEU HD21 . 30686 1
111 . 2 . 2 12 12 LEU HD22 H 1 0.836 0.02 0.539 2 . . . . B 104 LEU HD22 . 30686 1
112 . 2 . 2 12 12 LEU HD23 H 1 0.836 0.02 0.539 2 . . . . B 104 LEU HD23 . 30686 1
113 . 2 . 2 12 12 LEU C C 13 177.500 0.20 1.000 1 . . . . B 104 LEU C . 30686 1
114 . 2 . 2 12 12 LEU CA C 13 56.080 0.20 1.000 1 . . . . B 104 LEU CA . 30686 1
115 . 2 . 2 12 12 LEU CB C 13 41.970 0.20 1.000 1 . . . . B 104 LEU CB . 30686 1
116 . 2 . 2 12 12 LEU CG C 13 26.700 0.20 1.000 1 . . . . B 104 LEU CG . 30686 1
117 . 2 . 2 12 12 LEU CD1 C 13 24.900 0.20 0.874 2 . . . . B 104 LEU CD1 . 30686 1
118 . 2 . 2 12 12 LEU CD2 C 13 23.600 0.20 0.880 2 . . . . B 104 LEU CD2 . 30686 1
119 . 2 . 2 13 13 GLU H H 1 8.633 0.02 1.000 1 . . . . B 105 GLU H . 30686 1
120 . 2 . 2 13 13 GLU HA H 1 4.142 0.02 1.000 1 . . . . B 105 GLU HA . 30686 1
121 . 2 . 2 13 13 GLU HB2 H 1 2.034 0.02 0.479 2 . . . . B 105 GLU HB2 . 30686 1
122 . 2 . 2 13 13 GLU HB3 H 1 1.916 0.02 0.553 2 . . . . B 105 GLU HB3 . 30686 1
123 . 2 . 2 13 13 GLU HG2 H 1 2.166 0.02 0.493 2 . . . . B 105 GLU HG2 . 30686 1
124 . 2 . 2 13 13 GLU HG3 H 1 2.166 0.02 0.447 2 . . . . B 105 GLU HG3 . 30686 1
125 . 2 . 2 13 13 GLU C C 13 176.200 0.20 1.000 1 . . . . B 105 GLU C . 30686 1
126 . 2 . 2 13 13 GLU CA C 13 57.090 0.20 1.000 1 . . . . B 105 GLU CA . 30686 1
127 . 2 . 2 13 13 GLU CB C 13 29.940 0.20 1.000 1 . . . . B 105 GLU CB . 30686 1
128 . 2 . 2 13 13 GLU CG C 13 36.290 0.20 1.000 1 . . . . B 105 GLU CG . 30686 1
129 . 2 . 2 13 13 GLU N N 15 121.315 0.20 1.000 1 . . . . B 105 GLU N . 30686 1
130 . 2 . 2 14 14 ASP H H 1 8.159 0.02 1.000 1 . . . . B 106 ASP H . 30686 1
131 . 2 . 2 14 14 ASP HA H 1 4.460 0.02 1.000 1 . . . . B 106 ASP HA . 30686 1
132 . 2 . 2 14 14 ASP HB2 H 1 2.575 0.02 0.870 2 . . . . B 106 ASP HB2 . 30686 1
133 . 2 . 2 14 14 ASP HB3 H 1 2.572 0.02 0.365 2 . . . . B 106 ASP HB3 . 30686 1
134 . 2 . 2 14 14 ASP C C 13 177.000 0.20 1.000 1 . . . . B 106 ASP C . 30686 1
135 . 2 . 2 14 14 ASP CA C 13 54.560 0.20 1.000 1 . . . . B 106 ASP CA . 30686 1
136 . 2 . 2 14 14 ASP CB C 13 42.330 0.20 1.000 1 . . . . B 106 ASP CB . 30686 1
137 . 2 . 2 14 14 ASP N N 15 121.344 0.20 1.000 1 . . . . B 106 ASP N . 30686 1
138 . 2 . 2 15 15 LEU H H 1 8.359 0.02 1.000 1 . . . . B 107 LEU H . 30686 1
139 . 2 . 2 15 15 LEU HA H 1 4.464 0.02 0.660 1 . . . . B 107 LEU HA . 30686 1
140 . 2 . 2 15 15 LEU HB2 H 1 1.872 0.02 0.318 2 . . . . B 107 LEU HB2 . 30686 1
141 . 2 . 2 15 15 LEU HB3 H 1 1.787 0.02 0.582 2 . . . . B 107 LEU HB3 . 30686 1
142 . 2 . 2 15 15 LEU HD11 H 1 1.076 0.02 0.564 2 . . . . B 107 LEU HD11 . 30686 1
143 . 2 . 2 15 15 LEU HD12 H 1 1.076 0.02 0.564 2 . . . . B 107 LEU HD12 . 30686 1
144 . 2 . 2 15 15 LEU HD13 H 1 1.076 0.02 0.564 2 . . . . B 107 LEU HD13 . 30686 1
145 . 2 . 2 15 15 LEU HD21 H 1 1.076 0.02 0.527 2 . . . . B 107 LEU HD21 . 30686 1
146 . 2 . 2 15 15 LEU HD22 H 1 1.076 0.02 0.527 2 . . . . B 107 LEU HD22 . 30686 1
147 . 2 . 2 15 15 LEU HD23 H 1 1.076 0.02 0.527 2 . . . . B 107 LEU HD23 . 30686 1
148 . 2 . 2 15 15 LEU C C 13 178.000 0.20 1.000 1 . . . . B 107 LEU C . 30686 1
149 . 2 . 2 15 15 LEU CA C 13 54.690 0.20 1.000 1 . . . . B 107 LEU CA . 30686 1
150 . 2 . 2 15 15 LEU CB C 13 41.310 0.20 1.000 1 . . . . B 107 LEU CB . 30686 1
151 . 2 . 2 15 15 LEU CG C 13 27.550 0.20 1.000 1 . . . . B 107 LEU CG . 30686 1
152 . 2 . 2 15 15 LEU N N 15 121.762 0.20 1.000 1 . . . . B 107 LEU N . 30686 1
153 . 2 . 2 16 16 LYS H H 1 7.825 0.02 1.000 1 . . . . B 108 LYS H . 30686 1
154 . 2 . 2 16 16 LYS HA H 1 4.282 0.02 1.000 1 . . . . B 108 LYS HA . 30686 1
155 . 2 . 2 16 16 LYS HB2 H 1 1.753 0.02 0.483 2 . . . . B 108 LYS HB2 . 30686 1
156 . 2 . 2 16 16 LYS HB3 H 1 1.753 0.02 0.520 2 . . . . B 108 LYS HB3 . 30686 1
157 . 2 . 2 16 16 LYS HD2 H 1 1.507 0.02 0.366 2 . . . . B 108 LYS HD2 . 30686 1
158 . 2 . 2 16 16 LYS HD3 H 1 1.507 0.02 0.339 2 . . . . B 108 LYS HD3 . 30686 1
159 . 2 . 2 16 16 LYS HE2 H 1 2.736 0.02 0.366 2 . . . . B 108 LYS HE2 . 30686 1
160 . 2 . 2 16 16 LYS HE3 H 1 2.736 0.02 0.339 2 . . . . B 108 LYS HE3 . 30686 1
161 . 2 . 2 16 16 LYS C C 13 178.600 0.20 1.000 1 . . . . B 108 LYS C . 30686 1
162 . 2 . 2 16 16 LYS CA C 13 59.470 0.20 1.000 1 . . . . B 108 LYS CA . 30686 1
163 . 2 . 2 16 16 LYS CB C 13 32.560 0.20 1.000 1 . . . . B 108 LYS CB . 30686 1
164 . 2 . 2 16 16 LYS CG C 13 24.530 0.20 1.000 1 . . . . B 108 LYS CG . 30686 1
165 . 2 . 2 16 16 LYS CD C 13 29.630 0.20 1.000 1 . . . . B 108 LYS CD . 30686 1
166 . 2 . 2 16 16 LYS N N 15 120.785 0.20 1.000 1 . . . . B 108 LYS N . 30686 1
167 . 2 . 2 17 17 ASP H H 1 8.384 0.02 1.000 1 . . . . B 109 ASP H . 30686 1
168 . 2 . 2 17 17 ASP HA H 1 4.460 0.02 1.000 1 . . . . B 109 ASP HA . 30686 1
169 . 2 . 2 17 17 ASP HB2 H 1 2.775 0.02 0.835 2 . . . . B 109 ASP HB2 . 30686 1
170 . 2 . 2 17 17 ASP HB3 H 1 2.561 0.02 0.432 2 . . . . B 109 ASP HB3 . 30686 1
171 . 2 . 2 17 17 ASP C C 13 179.400 0.20 1.000 1 . . . . B 109 ASP C . 30686 1
172 . 2 . 2 17 17 ASP CA C 13 57.690 0.20 1.000 1 . . . . B 109 ASP CA . 30686 1
173 . 2 . 2 17 17 ASP CB C 13 40.440 0.20 1.000 1 . . . . B 109 ASP CB . 30686 1
174 . 2 . 2 17 17 ASP N N 15 120.240 0.20 1.000 1 . . . . B 109 ASP N . 30686 1
175 . 2 . 2 18 18 ALA H H 1 8.006 0.02 1.000 1 . . . . B 110 ALA H . 30686 1
176 . 2 . 2 18 18 ALA HA H 1 4.129 0.02 0.596 1 . . . . B 110 ALA HA . 30686 1
177 . 2 . 2 18 18 ALA HB1 H 1 1.478 0.02 0.437 1 . . . . B 110 ALA HB1 . 30686 1
178 . 2 . 2 18 18 ALA HB2 H 1 1.478 0.02 0.437 1 . . . . B 110 ALA HB2 . 30686 1
179 . 2 . 2 18 18 ALA HB3 H 1 1.478 0.02 0.437 1 . . . . B 110 ALA HB3 . 30686 1
180 . 2 . 2 18 18 ALA C C 13 180.600 0.20 0.052 1 . . . . B 110 ALA C . 30686 1
181 . 2 . 2 18 18 ALA CA C 13 55.080 0.20 0.052 1 . . . . B 110 ALA CA . 30686 1
182 . 2 . 2 18 18 ALA CB C 13 18.090 0.20 0.449 1 . . . . B 110 ALA CB . 30686 1
183 . 2 . 2 18 18 ALA N N 15 123.845 0.20 1.000 1 . . . . B 110 ALA N . 30686 1
184 . 2 . 2 19 19 GLU H H 1 8.013 0.02 0.052 1 . . . . B 111 GLU H . 30686 1
185 . 2 . 2 19 19 GLU HA H 1 4.010 0.02 0.571 1 . . . . B 111 GLU HA . 30686 1
186 . 2 . 2 19 19 GLU HB2 H 1 2.028 0.02 0.524 2 . . . . B 111 GLU HB2 . 30686 1
187 . 2 . 2 19 19 GLU HB3 H 1 2.025 0.02 0.463 2 . . . . B 111 GLU HB3 . 30686 1
188 . 2 . 2 19 19 GLU HG2 H 1 2.264 0.02 0.250 2 . . . . B 111 GLU HG2 . 30686 1
189 . 2 . 2 19 19 GLU HG3 H 1 2.264 0.02 0.423 2 . . . . B 111 GLU HG3 . 30686 1
190 . 2 . 2 19 19 GLU C C 13 178.600 0.20 0.526 1 . . . . B 111 GLU C . 30686 1
191 . 2 . 2 19 19 GLU CA C 13 58.460 0.20 0.718 1 . . . . B 111 GLU CA . 30686 1
192 . 2 . 2 19 19 GLU CB C 13 29.850 0.20 1.000 1 . . . . B 111 GLU CB . 30686 1
193 . 2 . 2 19 19 GLU CG C 13 36.200 0.20 1.000 1 . . . . B 111 GLU CG . 30686 1
194 . 2 . 2 19 19 GLU N N 15 119.896 0.20 0.052 1 . . . . B 111 GLU N . 30686 1
195 . 2 . 2 20 20 LEU H H 1 7.973 0.02 0.526 1 . . . . B 112 LEU H . 30686 1
196 . 2 . 2 20 20 LEU HA H 1 4.155 0.02 1.000 1 . . . . B 112 LEU HA . 30686 1
197 . 2 . 2 20 20 LEU HB2 H 1 1.695 0.02 0.491 2 . . . . B 112 LEU HB2 . 30686 1
198 . 2 . 2 20 20 LEU HB3 H 1 1.665 0.02 0.549 2 . . . . B 112 LEU HB3 . 30686 1
199 . 2 . 2 20 20 LEU HD11 H 1 0.8498 0.02 0.491 2 . . . . B 112 LEU HD11 . 30686 1
200 . 2 . 2 20 20 LEU HD12 H 1 0.8498 0.02 0.549 2 . . . . B 112 LEU HD12 . 30686 1
201 . 2 . 2 20 20 LEU HD13 H 1 0.8498 0.02 0.491 2 . . . . B 112 LEU HD13 . 30686 1
202 . 2 . 2 20 20 LEU HD21 H 1 0.8498 0.02 0.549 2 . . . . B 112 LEU HD21 . 30686 1
203 . 2 . 2 20 20 LEU HD22 H 1 0.8498 0.02 0.491 2 . . . . B 112 LEU HD22 . 30686 1
204 . 2 . 2 20 20 LEU HD23 H 1 0.8498 0.02 0.549 2 . . . . B 112 LEU HD23 . 30686 1
205 . 2 . 2 20 20 LEU C C 13 179.000 0.20 1.000 1 . . . . B 112 LEU C . 30686 1
206 . 2 . 2 20 20 LEU CA C 13 57.090 0.20 1.000 1 . . . . B 112 LEU CA . 30686 1
207 . 2 . 2 20 20 LEU CB C 13 41.960 0.20 1.000 1 . . . . B 112 LEU CB . 30686 1
208 . 2 . 2 20 20 LEU CG C 13 26.770 0.20 0.406 1 . . . . B 112 LEU CG . 30686 1
209 . 2 . 2 20 20 LEU CD1 C 13 23.700 0.20 0.521 2 . . . . B 112 LEU CD1 . 30686 1
210 . 2 . 2 20 20 LEU CD2 C 13 23.700 0.20 0.417 2 . . . . B 112 LEU CD2 . 30686 1
211 . 2 . 2 20 20 LEU N N 15 121.142 0.20 0.526 1 . . . . B 112 LEU N . 30686 1
212 . 2 . 2 21 21 LYS H H 1 8.152 0.02 1.000 1 . . . . B 113 LYS H . 30686 1
213 . 2 . 2 21 21 LYS HA H 1 4.079 0.02 1.000 1 . . . . B 113 LYS HA . 30686 1
214 . 2 . 2 21 21 LYS HB2 H 1 1.807 0.02 0.464 2 . . . . B 113 LYS HB2 . 30686 1
215 . 2 . 2 21 21 LYS HB3 H 1 1.755 0.02 0.460 2 . . . . B 113 LYS HB3 . 30686 1
216 . 2 . 2 21 21 LYS HG2 H 1 1.363 0.02 0.514 2 . . . . B 113 LYS HG2 . 30686 1
217 . 2 . 2 21 21 LYS HG3 H 1 1.363 0.02 0.477 2 . . . . B 113 LYS HG3 . 30686 1
218 . 2 . 2 21 21 LYS C C 13 178.300 0.20 1.000 1 . . . . B 113 LYS C . 30686 1
219 . 2 . 2 21 21 LYS CA C 13 59.600 0.20 1.000 1 . . . . B 113 LYS CA . 30686 1
220 . 2 . 2 21 21 LYS CB C 13 32.440 0.20 1.000 1 . . . . B 113 LYS CB . 30686 1
221 . 2 . 2 21 21 LYS CG C 13 24.850 0.20 1.000 1 . . . . B 113 LYS CG . 30686 1
222 . 2 . 2 21 21 LYS CE C 13 40.920 0.20 1.000 1 . . . . B 113 LYS CE . 30686 1
223 . 2 . 2 21 21 LYS N N 15 121.345 0.20 1.000 1 . . . . B 113 LYS N . 30686 1
224 . 2 . 2 22 22 ARG H H 1 8.247 0.02 1.000 1 . . . . B 114 ARG H . 30686 1
225 . 2 . 2 22 22 ARG HA H 1 4.198 0.02 1.000 1 . . . . B 114 ARG HA . 30686 1
226 . 2 . 2 22 22 ARG HB2 H 1 1.763 0.02 0.639 2 . . . . B 114 ARG HB2 . 30686 1
227 . 2 . 2 22 22 ARG HB3 H 1 1.763 0.02 0.379 2 . . . . B 114 ARG HB3 . 30686 1
228 . 2 . 2 22 22 ARG HG2 H 1 1.377 0.02 0.520 2 . . . . B 114 ARG HG2 . 30686 1
229 . 2 . 2 22 22 ARG HG3 H 1 1.377 0.02 0.470 2 . . . . B 114 ARG HG3 . 30686 1
230 . 2 . 2 22 22 ARG HD2 H 1 3.093 0.02 0.726 2 . . . . B 114 ARG HD2 . 30686 1
231 . 2 . 2 22 22 ARG HD3 H 1 3.093 0.02 0.299 2 . . . . B 114 ARG HD3 . 30686 1
232 . 2 . 2 22 22 ARG C C 13 176.800 0.20 1.000 1 . . . . B 114 ARG C . 30686 1
233 . 2 . 2 22 22 ARG CA C 13 58.550 0.20 1.000 1 . . . . B 114 ARG CA . 30686 1
234 . 2 . 2 22 22 ARG CB C 13 29.900 0.20 1.000 1 . . . . B 114 ARG CB . 30686 1
235 . 2 . 2 22 22 ARG N N 15 120.374 0.20 1.000 1 . . . . B 114 ARG N . 30686 1
236 . 2 . 2 23 23 LEU H H 1 8.267 0.02 1.000 1 . . . . B 115 LEU H . 30686 1
237 . 2 . 2 23 23 LEU HA H 1 4.201 0.02 1.000 1 . . . . B 115 LEU HA . 30686 1
238 . 2 . 2 23 23 LEU HB2 H 1 1.569 0.02 0.506 2 . . . . B 115 LEU HB2 . 30686 1
239 . 2 . 2 23 23 LEU HB3 H 1 1.569 0.02 0.538 2 . . . . B 115 LEU HB3 . 30686 1
240 . 2 . 2 23 23 LEU HD11 H 1 0.845 0.02 0.491 2 . . . . B 115 LEU HD11 . 30686 1
241 . 2 . 2 23 23 LEU HD12 H 1 0.845 0.02 0.549 2 . . . . B 115 LEU HD12 . 30686 1
242 . 2 . 2 23 23 LEU HD13 H 1 0.845 0.02 0.491 2 . . . . B 115 LEU HD13 . 30686 1
243 . 2 . 2 23 23 LEU HD21 H 1 0.845 0.02 0.549 2 . . . . B 115 LEU HD21 . 30686 1
244 . 2 . 2 23 23 LEU HD22 H 1 0.845 0.02 0.491 2 . . . . B 115 LEU HD22 . 30686 1
245 . 2 . 2 23 23 LEU HD23 H 1 0.845 0.02 0.549 2 . . . . B 115 LEU HD23 . 30686 1
246 . 2 . 2 23 23 LEU C C 13 176.000 0.20 1.000 1 . . . . B 115 LEU C . 30686 1
247 . 2 . 2 23 23 LEU CA C 13 55.980 0.20 1.000 1 . . . . B 115 LEU CA . 30686 1
248 . 2 . 2 23 23 LEU CB C 13 42.130 0.20 1.000 1 . . . . B 115 LEU CB . 30686 1
249 . 2 . 2 23 23 LEU N N 15 121.015 0.20 1.000 1 . . . . B 115 LEU N . 30686 1
250 . 2 . 2 24 24 ASN H H 1 7.627 0.02 1.000 1 . . . . B 116 ASN H . 30686 1
251 . 2 . 2 24 24 ASN HB2 H 1 2.782 0.02 0.672 2 . . . . B 116 ASN HB2 . 30686 1
252 . 2 . 2 24 24 ASN HB3 H 1 2.782 0.02 0.657 2 . . . . B 116 ASN HB3 . 30686 1
253 . 2 . 2 24 24 ASN C C 13 178.700 0.20 0.517 1 . . . . B 116 ASN C . 30686 1
254 . 2 . 2 24 24 ASN CB C 13 40.450 0.20 0.734 1 . . . . B 116 ASN CB . 30686 1
255 . 2 . 2 24 24 ASN N N 15 119.733 0.20 1.000 1 . . . . B 116 ASN N . 30686 1
256 . 2 . 2 25 25 GLU H H 1 8.251 0.02 0.517 1 . . . . B 117 GLU H . 30686 1
257 . 2 . 2 25 25 GLU C C 13 177.300 0.20 1.000 1 . . . . B 117 GLU C . 30686 1
258 . 2 . 2 25 25 GLU CA C 13 55.700 0.20 1.000 1 . . . . B 117 GLU CA . 30686 1
259 . 2 . 2 25 25 GLU CB C 13 29.820 0.20 0.693 1 . . . . B 117 GLU CB . 30686 1
260 . 2 . 2 25 25 GLU CG C 13 36.570 0.20 0.693 1 . . . . B 117 GLU CG . 30686 1
261 . 2 . 2 25 25 GLU N N 15 120.447 0.20 0.517 1 . . . . B 117 GLU N . 30686 1
262 . 2 . 2 26 26 GLU HA H 1 4.160 0.02 0.544 1 . . . . B 118 GLU HA . 30686 1
263 . 2 . 2 26 26 GLU HB2 H 1 1.971 0.02 0.527 2 . . . . B 118 GLU HB2 . 30686 1
264 . 2 . 2 26 26 GLU HB3 H 1 1.971 0.02 0.349 2 . . . . B 118 GLU HB3 . 30686 1
265 . 2 . 2 26 26 GLU HG2 H 1 2.220 0.02 0.720 2 . . . . B 118 GLU HG2 . 30686 1
266 . 2 . 2 26 26 GLU HG3 H 1 2.220 0.02 0.570 2 . . . . B 118 GLU HG3 . 30686 1
267 . 2 . 2 26 26 GLU C C 13 179.400 0.20 0.500 1 . . . . B 118 GLU C . 30686 1
268 . 2 . 2 26 26 GLU CA C 13 59.420 0.20 0.705 1 . . . . B 118 GLU CA . 30686 1
269 . 2 . 2 26 26 GLU CB C 13 29.760 0.20 1.000 1 . . . . B 118 GLU CB . 30686 1
270 . 2 . 2 26 26 GLU CG C 13 36.310 0.20 1.000 1 . . . . B 118 GLU CG . 30686 1
271 . 2 . 2 27 27 ARG H H 1 7.953 0.02 0.500 1 . . . . B 119 ARG H . 30686 1
272 . 2 . 2 27 27 ARG HA H 1 4.209 0.02 1.000 1 . . . . B 119 ARG HA . 30686 1
273 . 2 . 2 27 27 ARG HB2 H 1 1.774 0.02 0.467 2 . . . . B 119 ARG HB2 . 30686 1
274 . 2 . 2 27 27 ARG HB3 H 1 1.719 0.02 0.489 2 . . . . B 119 ARG HB3 . 30686 1
275 . 2 . 2 27 27 ARG HG2 H 1 1.482 0.02 0.468 2 . . . . B 119 ARG HG2 . 30686 1
276 . 2 . 2 27 27 ARG HG3 H 1 1.408 0.02 0.504 2 . . . . B 119 ARG HG3 . 30686 1
277 . 2 . 2 27 27 ARG C C 13 179.800 0.20 1.000 1 . . . . B 119 ARG C . 30686 1
278 . 2 . 2 27 27 ARG CA C 13 56.480 0.20 1.000 1 . . . . B 119 ARG CA . 30686 1
279 . 2 . 2 27 27 ARG CB C 13 30.570 0.20 1.000 1 . . . . B 119 ARG CB . 30686 1
280 . 2 . 2 27 27 ARG N N 15 122.229 0.20 0.500 1 . . . . B 119 ARG N . 30686 1
281 . 2 . 2 28 28 HIS H H 1 7.816 0.02 1.000 1 . . . . B 120 HIS H . 30686 1
282 . 2 . 2 28 28 HIS HA H 1 4.356 0.02 1.000 1 . . . . B 120 HIS HA . 30686 1
283 . 2 . 2 28 28 HIS HB2 H 1 3.071 0.02 0.722 2 . . . . B 120 HIS HB2 . 30686 1
284 . 2 . 2 28 28 HIS HB3 H 1 3.071 0.02 0.861 2 . . . . B 120 HIS HB3 . 30686 1
285 . 2 . 2 28 28 HIS C C 13 177.400 0.20 1.000 1 . . . . B 120 HIS C . 30686 1
286 . 2 . 2 28 28 HIS CA C 13 59.870 0.20 1.000 1 . . . . B 120 HIS CA . 30686 1
287 . 2 . 2 28 28 HIS CB C 13 29.100 0.20 1.000 1 . . . . B 120 HIS CB . 30686 1
288 . 2 . 2 28 28 HIS N N 15 118.048 0.20 1.000 1 . . . . B 120 HIS N . 30686 1
289 . 2 . 2 29 29 ASP H H 1 8.847 0.02 1.000 1 . . . . B 121 ASP H . 30686 1
290 . 2 . 2 29 29 ASP HA H 1 4.533 0.02 1.000 1 . . . . B 121 ASP HA . 30686 1
291 . 2 . 2 29 29 ASP HB2 H 1 2.759 0.02 0.828 2 . . . . B 121 ASP HB2 . 30686 1
292 . 2 . 2 29 29 ASP HB3 H 1 2.759 0.02 0.362 2 . . . . B 121 ASP HB3 . 30686 1
293 . 2 . 2 29 29 ASP C C 13 178.100 0.20 1.000 1 . . . . B 121 ASP C . 30686 1
294 . 2 . 2 29 29 ASP CA C 13 57.410 0.20 1.000 1 . . . . B 121 ASP CA . 30686 1
295 . 2 . 2 29 29 ASP CB C 13 41.240 0.20 1.000 1 . . . . B 121 ASP CB . 30686 1
296 . 2 . 2 29 29 ASP N N 15 124.262 0.20 1.000 1 . . . . B 121 ASP N . 30686 1
297 . 2 . 2 30 30 HIS H H 1 8.393 0.02 1.000 1 . . . . B 122 HIS H . 30686 1
298 . 2 . 2 30 30 HIS HA H 1 4.472 0.02 1.000 1 . . . . B 122 HIS HA . 30686 1
299 . 2 . 2 30 30 HIS HB2 H 1 3.488 0.02 0.766 2 . . . . B 122 HIS HB2 . 30686 1
300 . 2 . 2 30 30 HIS HB3 H 1 3.352 0.02 0.848 2 . . . . B 122 HIS HB3 . 30686 1
301 . 2 . 2 30 30 HIS C C 13 177.300 0.20 1.000 1 . . . . B 122 HIS C . 30686 1
302 . 2 . 2 30 30 HIS CA C 13 54.400 0.20 1.000 1 . . . . B 122 HIS CA . 30686 1
303 . 2 . 2 30 30 HIS CB C 13 29.710 0.20 1.000 1 . . . . B 122 HIS CB . 30686 1
304 . 2 . 2 30 30 HIS N N 15 120.253 0.20 1.000 1 . . . . B 122 HIS N . 30686 1
305 . 2 . 2 31 31 ASP H H 1 7.636 0.02 1.000 1 . . . . B 123 ASP H . 30686 1
306 . 2 . 2 31 31 ASP HA H 1 4.470 0.02 1.000 1 . . . . B 123 ASP HA . 30686 1
307 . 2 . 2 31 31 ASP HB2 H 1 2.578 0.02 0.607 2 . . . . B 123 ASP HB2 . 30686 1
308 . 2 . 2 31 31 ASP HB3 H 1 2.577 0.02 0.547 2 . . . . B 123 ASP HB3 . 30686 1
309 . 2 . 2 31 31 ASP C C 13 178.900 0.20 1.000 1 . . . . B 123 ASP C . 30686 1
310 . 2 . 2 31 31 ASP CA C 13 57.100 0.20 1.000 1 . . . . B 123 ASP CA . 30686 1
311 . 2 . 2 31 31 ASP CB C 13 41.220 0.20 1.000 1 . . . . B 123 ASP CB . 30686 1
312 . 2 . 2 31 31 ASP N N 15 119.765 0.20 1.000 1 . . . . B 123 ASP N . 30686 1
313 . 2 . 2 32 32 LYS H H 1 8.176 0.02 1.000 1 . . . . B 124 LYS H . 30686 1
314 . 2 . 2 32 32 LYS HA H 1 4.175 0.02 1.000 1 . . . . B 124 LYS HA . 30686 1
315 . 2 . 2 32 32 LYS HB2 H 1 1.833 0.02 0.421 2 . . . . B 124 LYS HB2 . 30686 1
316 . 2 . 2 32 32 LYS HB3 H 1 1.729 0.02 0.497 2 . . . . B 124 LYS HB3 . 30686 1
317 . 2 . 2 32 32 LYS HG2 H 1 1.315 0.02 0.896 2 . . . . B 124 LYS HG2 . 30686 1
318 . 2 . 2 32 32 LYS HG3 H 1 1.315 0.02 0.419 2 . . . . B 124 LYS HG3 . 30686 1
319 . 2 . 2 32 32 LYS C C 13 178.700 0.20 1.000 1 . . . . B 124 LYS C . 30686 1
320 . 2 . 2 32 32 LYS CA C 13 59.350 0.20 1.000 1 . . . . B 124 LYS CA . 30686 1
321 . 2 . 2 32 32 LYS CB C 13 32.580 0.20 1.000 1 . . . . B 124 LYS CB . 30686 1
322 . 2 . 2 32 32 LYS CG C 13 24.410 0.20 0.590 1 . . . . B 124 LYS CG . 30686 1
323 . 2 . 2 32 32 LYS CD C 13 28.760 0.20 0.590 1 . . . . B 124 LYS CD . 30686 1
324 . 2 . 2 32 32 LYS CE C 13 41.510 0.20 0.590 1 . . . . B 124 LYS CE . 30686 1
325 . 2 . 2 32 32 LYS N N 15 121.835 0.20 1.000 1 . . . . B 124 LYS N . 30686 1
326 . 2 . 2 33 33 ARG H H 1 7.536 0.02 1.000 1 . . . . B 125 ARG H . 30686 1
327 . 2 . 2 33 33 ARG HA H 1 4.041 0.02 1.000 1 . . . . B 125 ARG HA . 30686 1
328 . 2 . 2 33 33 ARG HB2 H 1 1.943 0.02 0.377 2 . . . . B 125 ARG HB2 . 30686 1
329 . 2 . 2 33 33 ARG HB3 H 1 1.818 0.02 0.467 2 . . . . B 125 ARG HB3 . 30686 1
330 . 2 . 2 33 33 ARG HG2 H 1 1.621 0.02 0.460 2 . . . . B 125 ARG HG2 . 30686 1
331 . 2 . 2 33 33 ARG HG3 H 1 1.621 0.02 0.456 2 . . . . B 125 ARG HG3 . 30686 1
332 . 2 . 2 33 33 ARG HD2 H 1 3.095 0.02 0.377 2 . . . . B 125 ARG HD2 . 30686 1
333 . 2 . 2 33 33 ARG HD3 H 1 3.095 0.02 0.467 2 . . . . B 125 ARG HD3 . 30686 1
334 . 2 . 2 33 33 ARG C C 13 179.600 0.20 1.000 1 . . . . B 125 ARG C . 30686 1
335 . 2 . 2 33 33 ARG CA C 13 57.560 0.20 1.000 1 . . . . B 125 ARG CA . 30686 1
336 . 2 . 2 33 33 ARG CB C 13 30.000 0.20 0.881 1 . . . . B 125 ARG CB . 30686 1
337 . 2 . 2 33 33 ARG CG C 13 27.640 0.20 0.881 1 . . . . B 125 ARG CG . 30686 1
338 . 2 . 2 33 33 ARG CD C 13 43.260 0.20 0.881 1 . . . . B 125 ARG CD . 30686 1
339 . 2 . 2 33 33 ARG N N 15 120.522 0.20 1.000 1 . . . . B 125 ARG N . 30686 1
340 . 2 . 2 34 34 GLU H H 1 8.226 0.02 1.000 1 . . . . B 126 GLU H . 30686 1
341 . 2 . 2 34 34 GLU HA H 1 4.048 0.02 0.686 1 . . . . B 126 GLU HA . 30686 1
342 . 2 . 2 34 34 GLU HB2 H 1 2.087 0.02 0.614 2 . . . . B 126 GLU HB2 . 30686 1
343 . 2 . 2 34 34 GLU HB3 H 1 1.921 0.02 0.479 2 . . . . B 126 GLU HB3 . 30686 1
344 . 2 . 2 34 34 GLU C C 13 178.300 0.20 1.000 1 . . . . B 126 GLU C . 30686 1
345 . 2 . 2 34 34 GLU CA C 13 58.580 0.20 1.000 1 . . . . B 126 GLU CA . 30686 1
346 . 2 . 2 34 34 GLU CB C 13 29.880 0.20 0.866 1 . . . . B 126 GLU CB . 30686 1
347 . 2 . 2 34 34 GLU CG C 13 36.340 0.20 0.866 1 . . . . B 126 GLU CG . 30686 1
348 . 2 . 2 34 34 GLU N N 15 121.074 0.20 1.000 1 . . . . B 126 GLU N . 30686 1
349 . 2 . 2 35 35 ALA H H 1 7.995 0.02 1.000 1 . . . . B 127 ALA H . 30686 1
350 . 2 . 2 35 35 ALA HA H 1 4.120 0.02 1.000 1 . . . . B 127 ALA HA . 30686 1
351 . 2 . 2 35 35 ALA HB1 H 1 1.421 0.02 1.000 1 . . . . B 127 ALA HB1 . 30686 1
352 . 2 . 2 35 35 ALA HB2 H 1 1.421 0.02 1.000 1 . . . . B 127 ALA HB2 . 30686 1
353 . 2 . 2 35 35 ALA HB3 H 1 1.421 0.02 1.000 1 . . . . B 127 ALA HB3 . 30686 1
354 . 2 . 2 35 35 ALA C C 13 180.800 0.20 1.000 1 . . . . B 127 ALA C . 30686 1
355 . 2 . 2 35 35 ALA CA C 13 54.830 0.20 1.000 1 . . . . B 127 ALA CA . 30686 1
356 . 2 . 2 35 35 ALA CB C 13 18.140 0.20 1.000 1 . . . . B 127 ALA CB . 30686 1
357 . 2 . 2 35 35 ALA N N 15 122.974 0.20 1.000 1 . . . . B 127 ALA N . 30686 1
358 . 2 . 2 36 36 GLU H H 1 8.026 0.02 1.000 1 . . . . B 128 GLU H . 30686 1
359 . 2 . 2 36 36 GLU HA H 1 4.169 0.02 1.000 1 . . . . B 128 GLU HA . 30686 1
360 . 2 . 2 36 36 GLU HB2 H 1 1.975 0.02 0.471 2 . . . . B 128 GLU HB2 . 30686 1
361 . 2 . 2 36 36 GLU HB3 H 1 1.975 0.02 0.520 2 . . . . B 128 GLU HB3 . 30686 1
362 . 2 . 2 36 36 GLU HG2 H 1 2.250 0.02 0.470 2 . . . . B 128 GLU HG2 . 30686 1
363 . 2 . 2 36 36 GLU HG3 H 1 2.250 0.02 0.458 2 . . . . B 128 GLU HG3 . 30686 1
364 . 2 . 2 36 36 GLU C C 13 176.500 0.20 1.000 1 . . . . B 128 GLU C . 30686 1
365 . 2 . 2 36 36 GLU CA C 13 56.740 0.20 1.000 1 . . . . B 128 GLU CA . 30686 1
366 . 2 . 2 36 36 GLU CB C 13 29.880 0.20 1.000 1 . . . . B 128 GLU CB . 30686 1
367 . 2 . 2 36 36 GLU CG C 13 36.260 0.20 0.898 1 . . . . B 128 GLU CG . 30686 1
368 . 2 . 2 36 36 GLU N N 15 122.510 0.20 1.000 1 . . . . B 128 GLU N . 30686 1
369 . 2 . 2 37 37 ARG H H 1 7.946 0.02 1.000 1 . . . . B 129 ARG H . 30686 1
370 . 2 . 2 37 37 ARG HA H 1 4.208 0.02 1.000 1 . . . . B 129 ARG HA . 30686 1
371 . 2 . 2 37 37 ARG HB2 H 1 1.880 0.02 0.505 2 . . . . B 129 ARG HB2 . 30686 1
372 . 2 . 2 37 37 ARG HB3 H 1 1.778 0.02 0.805 2 . . . . B 129 ARG HB3 . 30686 1
373 . 2 . 2 37 37 ARG HG2 H 1 1.479 0.02 0.303 2 . . . . B 129 ARG HG2 . 30686 1
374 . 2 . 2 37 37 ARG HG3 H 1 1.479 0.02 0.300 2 . . . . B 129 ARG HG3 . 30686 1
375 . 2 . 2 37 37 ARG HD2 H 1 3.108 0.02 0.717 2 . . . . B 129 ARG HD2 . 30686 1
376 . 2 . 2 37 37 ARG HD3 H 1 3.108 0.02 0.298 2 . . . . B 129 ARG HD3 . 30686 1
377 . 2 . 2 37 37 ARG C C 13 178.700 0.20 1.000 1 . . . . B 129 ARG C . 30686 1
378 . 2 . 2 37 37 ARG CA C 13 56.480 0.20 1.000 1 . . . . B 129 ARG CA . 30686 1
379 . 2 . 2 37 37 ARG CB C 13 30.530 0.20 0.790 1 . . . . B 129 ARG CB . 30686 1
380 . 2 . 2 37 37 ARG CG C 13 27.180 0.20 0.723 1 . . . . B 129 ARG CG . 30686 1
381 . 2 . 2 37 37 ARG CD C 13 43.190 0.20 0.723 1 . . . . B 129 ARG CD . 30686 1
382 . 2 . 2 37 37 ARG N N 15 122.758 0.20 1.000 1 . . . . B 129 ARG N . 30686 1
383 . 2 . 2 38 38 LYS H H 1 8.112 0.02 1.000 1 . . . . B 130 LYS H . 30686 1
384 . 2 . 2 38 38 LYS HA H 1 4.001 0.02 1.000 1 . . . . B 130 LYS HA . 30686 1
385 . 2 . 2 38 38 LYS HB2 H 1 1.794 0.02 0.468 2 . . . . B 130 LYS HB2 . 30686 1
386 . 2 . 2 38 38 LYS HB3 H 1 1.780 0.02 0.483 2 . . . . B 130 LYS HB3 . 30686 1
387 . 2 . 2 38 38 LYS HG2 H 1 1.425 0.02 0.452 2 . . . . B 130 LYS HG2 . 30686 1
388 . 2 . 2 38 38 LYS HG3 H 1 1.425 0.02 0.492 2 . . . . B 130 LYS HG3 . 30686 1
389 . 2 . 2 38 38 LYS HE2 H 1 2.883 0.02 0.468 2 . . . . B 130 LYS HE2 . 30686 1
390 . 2 . 2 38 38 LYS HE3 H 1 2.883 0.02 0.483 2 . . . . B 130 LYS HE3 . 30686 1
391 . 2 . 2 38 38 LYS C C 13 177.900 0.20 1.000 1 . . . . B 130 LYS C . 30686 1
392 . 2 . 2 38 38 LYS CA C 13 58.580 0.20 1.000 1 . . . . B 130 LYS CA . 30686 1
393 . 2 . 2 38 38 LYS CB C 13 32.480 0.20 1.000 1 . . . . B 130 LYS CB . 30686 1
394 . 2 . 2 38 38 LYS CG C 13 24.840 0.20 1.000 1 . . . . B 130 LYS CG . 30686 1
395 . 2 . 2 38 38 LYS CD C 13 29.560 0.20 1.000 1 . . . . B 130 LYS CD . 30686 1
396 . 2 . 2 38 38 LYS CE C 13 41.020 0.20 1.000 1 . . . . B 130 LYS CE . 30686 1
397 . 2 . 2 38 38 LYS N N 15 120.634 0.20 1.000 1 . . . . B 130 LYS N . 30686 1
398 . 2 . 2 39 39 ALA H H 1 7.818 0.02 1.000 1 . . . . B 131 ALA H . 30686 1
399 . 2 . 2 39 39 ALA HA H 1 4.117 0.02 1.000 1 . . . . B 131 ALA HA . 30686 1
400 . 2 . 2 39 39 ALA HB1 H 1 1.415 0.02 1.000 1 . . . . B 131 ALA HB1 . 30686 1
401 . 2 . 2 39 39 ALA HB2 H 1 1.415 0.02 1.000 1 . . . . B 131 ALA HB2 . 30686 1
402 . 2 . 2 39 39 ALA HB3 H 1 1.415 0.02 1.000 1 . . . . B 131 ALA HB3 . 30686 1
403 . 2 . 2 39 39 ALA C C 13 179.700 0.20 1.000 1 . . . . B 131 ALA C . 30686 1
404 . 2 . 2 39 39 ALA CA C 13 54.220 0.20 1.000 1 . . . . B 131 ALA CA . 30686 1
405 . 2 . 2 39 39 ALA CB C 13 18.330 0.20 1.000 1 . . . . B 131 ALA CB . 30686 1
406 . 2 . 2 39 39 ALA N N 15 121.812 0.20 1.000 1 . . . . B 131 ALA N . 30686 1
407 . 2 . 2 40 40 LEU H H 1 7.686 0.02 1.000 1 . . . . B 132 LEU H . 30686 1
408 . 2 . 2 40 40 LEU HA H 1 4.180 0.02 1.000 1 . . . . B 132 LEU HA . 30686 1
409 . 2 . 2 40 40 LEU HB2 H 1 1.689 0.02 0.451 2 . . . . B 132 LEU HB2 . 30686 1
410 . 2 . 2 40 40 LEU HB3 H 1 1.658 0.02 0.534 2 . . . . B 132 LEU HB3 . 30686 1
411 . 2 . 2 40 40 LEU HD11 H 1 0.830 0.02 0.565 2 . . . . B 132 LEU HD11 . 30686 1
412 . 2 . 2 40 40 LEU HD12 H 1 0.830 0.02 0.565 2 . . . . B 132 LEU HD12 . 30686 1
413 . 2 . 2 40 40 LEU HD13 H 1 0.830 0.02 0.565 2 . . . . B 132 LEU HD13 . 30686 1
414 . 2 . 2 40 40 LEU HD21 H 1 0.830 0.02 0.527 2 . . . . B 132 LEU HD21 . 30686 1
415 . 2 . 2 40 40 LEU HD22 H 1 0.830 0.02 0.527 2 . . . . B 132 LEU HD22 . 30686 1
416 . 2 . 2 40 40 LEU HD23 H 1 0.830 0.02 0.527 2 . . . . B 132 LEU HD23 . 30686 1
417 . 2 . 2 40 40 LEU C C 13 178.700 0.20 1.000 1 . . . . B 132 LEU C . 30686 1
418 . 2 . 2 40 40 LEU CA C 13 56.770 0.20 1.000 1 . . . . B 132 LEU CA . 30686 1
419 . 2 . 2 40 40 LEU CB C 13 42.190 0.20 1.000 1 . . . . B 132 LEU CB . 30686 1
420 . 2 . 2 40 40 LEU CG C 13 26.960 0.20 1.000 1 . . . . B 132 LEU CG . 30686 1
421 . 2 . 2 40 40 LEU CD1 C 13 24.810 0.20 0.716 2 . . . . B 132 LEU CD1 . 30686 1
422 . 2 . 2 40 40 LEU CD2 C 13 23.660 0.20 0.716 2 . . . . B 132 LEU CD2 . 30686 1
423 . 2 . 2 40 40 LEU N N 15 119.746 0.20 1.000 1 . . . . B 132 LEU N . 30686 1
424 . 2 . 2 41 41 GLU H H 1 8.027 0.02 1.000 1 . . . . B 133 GLU H . 30686 1
425 . 2 . 2 41 41 GLU HA H 1 4.007 0.02 0.844 1 . . . . B 133 GLU HA . 30686 1
426 . 2 . 2 41 41 GLU HB2 H 1 2.014 0.02 0.471 2 . . . . B 133 GLU HB2 . 30686 1
427 . 2 . 2 41 41 GLU HB3 H 1 1.981 0.02 0.520 2 . . . . B 133 GLU HB3 . 30686 1
428 . 2 . 2 41 41 GLU HG2 H 1 2.281 0.02 0.470 2 . . . . B 133 GLU HG2 . 30686 1
429 . 2 . 2 41 41 GLU HG3 H 1 2.281 0.02 0.458 2 . . . . B 133 GLU HG3 . 30686 1
430 . 2 . 2 41 41 GLU C C 13 178.100 0.20 1.000 1 . . . . B 133 GLU C . 30686 1
431 . 2 . 2 41 41 GLU CA C 13 58.340 0.20 1.000 1 . . . . B 133 GLU CA . 30686 1
432 . 2 . 2 41 41 GLU CB C 13 29.870 0.20 1.000 1 . . . . B 133 GLU CB . 30686 1
433 . 2 . 2 41 41 GLU CG C 13 35.970 0.20 0.850 1 . . . . B 133 GLU CG . 30686 1
434 . 2 . 2 41 41 GLU N N 15 120.421 0.20 1.000 1 . . . . B 133 GLU N . 30686 1
435 . 2 . 2 42 42 ASP H H 1 8.381 0.02 1.000 1 . . . . B 134 ASP H . 30686 1
436 . 2 . 2 42 42 ASP HA H 1 4.426 0.02 0.897 1 . . . . B 134 ASP HA . 30686 1
437 . 2 . 2 42 42 ASP HB2 H 1 2.775 0.02 0.814 2 . . . . B 134 ASP HB2 . 30686 1
438 . 2 . 2 42 42 ASP HB3 H 1 2.706 0.02 0.356 2 . . . . B 134 ASP HB3 . 30686 1
439 . 2 . 2 42 42 ASP C C 13 179.200 0.20 0.508 1 . . . . B 134 ASP C . 30686 1
440 . 2 . 2 42 42 ASP CA C 13 56.700 0.20 0.850 1 . . . . B 134 ASP CA . 30686 1
441 . 2 . 2 42 42 ASP CB C 13 40.520 0.20 1.000 1 . . . . B 134 ASP CB . 30686 1
442 . 2 . 2 42 42 ASP N N 15 121.120 0.20 1.000 1 . . . . B 134 ASP N . 30686 1
443 . 2 . 2 43 43 LYS H H 1 7.938 0.02 1.000 1 . . . . B 135 LYS H . 30686 1
444 . 2 . 2 43 43 LYS HA H 1 4.209 0.02 0.867 1 . . . . B 135 LYS HA . 30686 1
445 . 2 . 2 43 43 LYS HB2 H 1 1.722 0.02 0.447 2 . . . . B 135 LYS HB2 . 30686 1
446 . 2 . 2 43 43 LYS HB3 H 1 1.722 0.02 0.544 2 . . . . B 135 LYS HB3 . 30686 1
447 . 2 . 2 43 43 LYS HG2 H 1 1.319 0.02 0.447 2 . . . . B 135 LYS HG2 . 30686 1
448 . 2 . 2 43 43 LYS HG3 H 1 1.319 0.02 0.544 2 . . . . B 135 LYS HG3 . 30686 1
449 . 2 . 2 43 43 LYS HE2 H 1 2.945 0.02 0.447 2 . . . . B 135 LYS HE2 . 30686 1
450 . 2 . 2 43 43 LYS HE3 H 1 2.945 0.02 0.544 2 . . . . B 135 LYS HE3 . 30686 1
451 . 2 . 2 43 43 LYS C C 13 176.700 0.20 1.000 1 . . . . B 135 LYS C . 30686 1
452 . 2 . 2 43 43 LYS CA C 13 56.370 0.20 1.000 1 . . . . B 135 LYS CA . 30686 1
453 . 2 . 2 43 43 LYS CB C 13 32.550 0.20 1.000 1 . . . . B 135 LYS CB . 30686 1
454 . 2 . 2 43 43 LYS CG C 13 24.300 0.20 1.000 1 . . . . B 135 LYS CG . 30686 1
455 . 2 . 2 43 43 LYS CD C 13 28.490 0.20 1.000 1 . . . . B 135 LYS CD . 30686 1
456 . 2 . 2 43 43 LYS N N 15 122.700 0.20 1.000 1 . . . . B 135 LYS N . 30686 1
457 . 2 . 2 44 44 LEU H H 1 8.163 0.02 1.000 1 . . . . B 136 LEU H . 30686 1
458 . 2 . 2 44 44 LEU HA H 1 4.223 0.02 1.000 1 . . . . B 136 LEU HA . 30686 1
459 . 2 . 2 44 44 LEU HB2 H 1 1.567 0.02 0.525 2 . . . . B 136 LEU HB2 . 30686 1
460 . 2 . 2 44 44 LEU HB3 H 1 1.548 0.02 0.510 2 . . . . B 136 LEU HB3 . 30686 1
461 . 2 . 2 44 44 LEU HD11 H 1 0.811 0.02 0.580 2 . . . . B 136 LEU HD11 . 30686 1
462 . 2 . 2 44 44 LEU HD12 H 1 0.811 0.02 0.580 2 . . . . B 136 LEU HD12 . 30686 1
463 . 2 . 2 44 44 LEU HD13 H 1 0.811 0.02 0.580 2 . . . . B 136 LEU HD13 . 30686 1
464 . 2 . 2 44 44 LEU HD21 H 1 0.811 0.02 0.443 2 . . . . B 136 LEU HD21 . 30686 1
465 . 2 . 2 44 44 LEU HD22 H 1 0.811 0.02 0.443 2 . . . . B 136 LEU HD22 . 30686 1
466 . 2 . 2 44 44 LEU HD23 H 1 0.811 0.02 0.443 2 . . . . B 136 LEU HD23 . 30686 1
467 . 2 . 2 44 44 LEU C C 13 177.400 0.20 1.000 1 . . . . B 136 LEU C . 30686 1
468 . 2 . 2 44 44 LEU CA C 13 55.320 0.20 1.000 1 . . . . B 136 LEU CA . 30686 1
469 . 2 . 2 44 44 LEU CB C 13 42.220 0.20 1.000 1 . . . . B 136 LEU CB . 30686 1
470 . 2 . 2 44 44 LEU CG C 13 26.680 0.20 1.000 1 . . . . B 136 LEU CG . 30686 1
471 . 2 . 2 44 44 LEU CD1 C 13 24.480 0.20 1.000 2 . . . . B 136 LEU CD1 . 30686 1
472 . 2 . 2 44 44 LEU CD2 C 13 23.180 0.20 1.000 2 . . . . B 136 LEU CD2 . 30686 1
473 . 2 . 2 44 44 LEU N N 15 123.198 0.20 1.000 1 . . . . B 136 LEU N . 30686 1
474 . 2 . 2 45 45 ALA H H 1 8.084 0.02 1.000 1 . . . . B 137 ALA H . 30686 1
475 . 2 . 2 45 45 ALA HA H 1 4.171 0.02 1.000 1 . . . . B 137 ALA HA . 30686 1
476 . 2 . 2 45 45 ALA HB1 H 1 1.322 0.02 1.000 1 . . . . B 137 ALA HB1 . 30686 1
477 . 2 . 2 45 45 ALA HB2 H 1 1.322 0.02 1.000 1 . . . . B 137 ALA HB2 . 30686 1
478 . 2 . 2 45 45 ALA HB3 H 1 1.322 0.02 1.000 1 . . . . B 137 ALA HB3 . 30686 1
479 . 2 . 2 45 45 ALA C C 13 177.600 0.20 1.000 1 . . . . B 137 ALA C . 30686 1
480 . 2 . 2 45 45 ALA CA C 13 52.750 0.20 1.000 1 . . . . B 137 ALA CA . 30686 1
481 . 2 . 2 45 45 ALA CB C 13 19.320 0.20 1.000 1 . . . . B 137 ALA CB . 30686 1
482 . 2 . 2 45 45 ALA N N 15 124.764 0.20 1.000 1 . . . . B 137 ALA N . 30686 1
483 . 2 . 2 46 46 ASP H H 1 8.049 0.02 1.000 1 . . . . B 138 ASP H . 30686 1
484 . 2 . 2 46 46 ASP HA H 1 4.463 0.02 0.724 1 . . . . B 138 ASP HA . 30686 1
485 . 2 . 2 46 46 ASP HB2 H 1 2.612 0.02 0.815 2 . . . . B 138 ASP HB2 . 30686 1
486 . 2 . 2 46 46 ASP HB3 H 1 2.589 0.02 0.847 2 . . . . B 138 ASP HB3 . 30686 1
487 . 2 . 2 46 46 ASP C C 13 176.400 0.20 1.000 1 . . . . B 138 ASP C . 30686 1
488 . 2 . 2 46 46 ASP CA C 13 54.600 0.20 1.000 1 . . . . B 138 ASP CA . 30686 1
489 . 2 . 2 46 46 ASP CB C 13 41.220 0.20 1.000 1 . . . . B 138 ASP CB . 30686 1
490 . 2 . 2 46 46 ASP N N 15 119.577 0.20 1.000 1 . . . . B 138 ASP N . 30686 1
491 . 2 . 2 47 47 LYS H H 1 8.097 0.02 1.000 1 . . . . B 139 LYS H . 30686 1
492 . 2 . 2 47 47 LYS HA H 1 4.094 0.02 0.511 1 . . . . B 139 LYS HA . 30686 1
493 . 2 . 2 47 47 LYS HB2 H 1 1.792 0.02 0.529 2 . . . . B 139 LYS HB2 . 30686 1
494 . 2 . 2 47 47 LYS HB3 H 1 1.792 0.02 0.419 2 . . . . B 139 LYS HB3 . 30686 1
495 . 2 . 2 47 47 LYS C C 13 177.300 0.20 0.500 1 . . . . B 139 LYS C . 30686 1
496 . 2 . 2 47 47 LYS CA C 13 56.470 0.20 0.711 1 . . . . B 139 LYS CA . 30686 1
497 . 2 . 2 47 47 LYS CB C 13 32.710 0.20 1.000 1 . . . . B 139 LYS CB . 30686 1
498 . 2 . 2 47 47 LYS N N 15 121.554 0.20 1.000 1 . . . . B 139 LYS N . 30686 1
499 . 2 . 2 48 48 GLN HA H 1 4.234 0.02 1.000 1 . . . . B 140 GLN HA . 30686 1
500 . 2 . 2 48 48 GLN HB2 H 1 1.925 0.02 0.594 2 . . . . B 140 GLN HB2 . 30686 1
501 . 2 . 2 48 48 GLN HB3 H 1 1.925 0.02 0.494 2 . . . . B 140 GLN HB3 . 30686 1
502 . 2 . 2 48 48 GLN HG2 H 1 2.258 0.02 0.502 2 . . . . B 140 GLN HG2 . 30686 1
503 . 2 . 2 48 48 GLN HG3 H 1 2.258 0.02 0.517 2 . . . . B 140 GLN HG3 . 30686 1
504 . 2 . 2 48 48 GLN C C 13 175.900 0.20 1.000 1 . . . . B 140 GLN C . 30686 1
505 . 2 . 2 48 48 GLN CA C 13 55.150 0.20 1.000 1 . . . . B 140 GLN CA . 30686 1
506 . 2 . 2 48 48 GLN CB C 13 29.570 0.20 1.000 1 . . . . B 140 GLN CB . 30686 1
507 . 2 . 2 48 48 GLN CG C 13 33.670 0.20 1.000 1 . . . . B 140 GLN CG . 30686 1
508 . 2 . 2 49 49 GLU H H 1 8.346 0.02 1.000 1 . . . . B 141 GLU H . 30686 1
509 . 2 . 2 49 49 GLU HA H 1 4.145 0.02 1.000 1 . . . . B 141 GLU HA . 30686 1
510 . 2 . 2 49 49 GLU HB2 H 1 1.851 0.02 0.505 2 . . . . B 141 GLU HB2 . 30686 1
511 . 2 . 2 49 49 GLU HB3 H 1 1.821 0.02 0.642 2 . . . . B 141 GLU HB3 . 30686 1
512 . 2 . 2 49 49 GLU HG2 H 1 2.089 0.02 0.642 2 . . . . B 141 GLU HG2 . 30686 1
513 . 2 . 2 49 49 GLU HG3 H 1 2.089 0.02 0.400 2 . . . . B 141 GLU HG3 . 30686 1
514 . 2 . 2 49 49 GLU C C 13 176.200 0.20 1.000 1 . . . . B 141 GLU C . 30686 1
515 . 2 . 2 49 49 GLU CA C 13 56.720 0.20 1.000 1 . . . . B 141 GLU CA . 30686 1
516 . 2 . 2 49 49 GLU CB C 13 30.550 0.20 1.000 1 . . . . B 141 GLU CB . 30686 1
517 . 2 . 2 49 49 GLU CG C 13 36.170 0.20 1.000 1 . . . . B 141 GLU CG . 30686 1
518 . 2 . 2 49 49 GLU N N 15 122.081 0.20 1.000 1 . . . . B 141 GLU N . 30686 1
519 . 2 . 2 50 50 HIS H H 1 8.460 0.02 1.000 1 . . . . B 142 HIS H . 30686 1
520 . 2 . 2 50 50 HIS HA H 1 4.555 0.02 1.000 1 . . . . B 142 HIS HA . 30686 1
521 . 2 . 2 50 50 HIS HB2 H 1 3.092 0.02 1.000 2 . . . . B 142 HIS HB2 . 30686 1
522 . 2 . 2 50 50 HIS HB3 H 1 3.091 0.02 1.000 2 . . . . B 142 HIS HB3 . 30686 1
523 . 2 . 2 50 50 HIS C C 13 174.200 0.20 1.000 1 . . . . B 142 HIS C . 30686 1
524 . 2 . 2 50 50 HIS CA C 13 55.450 0.20 1.000 1 . . . . B 142 HIS CA . 30686 1
525 . 2 . 2 50 50 HIS CB C 13 29.500 0.20 1.000 1 . . . . B 142 HIS CB . 30686 1
526 . 2 . 2 50 50 HIS N N 15 120.376 0.20 1.000 1 . . . . B 142 HIS N . 30686 1
527 . 2 . 2 51 51 LEU H H 1 8.292 0.02 1.000 1 . . . . B 143 LEU H . 30686 1
528 . 2 . 2 51 51 LEU HA H 1 4.299 0.02 1.000 1 . . . . B 143 LEU HA . 30686 1
529 . 2 . 2 51 51 LEU HB2 H 1 1.548 0.02 0.497 2 . . . . B 143 LEU HB2 . 30686 1
530 . 2 . 2 51 51 LEU HB3 H 1 1.519 0.02 0.481 2 . . . . B 143 LEU HB3 . 30686 1
531 . 2 . 2 51 51 LEU HD11 H 1 0.8239 0.02 0.482 2 . . . . B 143 LEU HD11 . 30686 1
532 . 2 . 2 51 51 LEU HD12 H 1 0.8239 0.02 0.482 2 . . . . B 143 LEU HD12 . 30686 1
533 . 2 . 2 51 51 LEU HD13 H 1 0.8239 0.02 0.482 2 . . . . B 143 LEU HD13 . 30686 1
534 . 2 . 2 51 51 LEU HD21 H 1 0.8239 0.02 0.715 2 . . . . B 143 LEU HD21 . 30686 1
535 . 2 . 2 51 51 LEU HD22 H 1 0.8239 0.02 0.715 2 . . . . B 143 LEU HD22 . 30686 1
536 . 2 . 2 51 51 LEU HD23 H 1 0.8239 0.02 0.715 2 . . . . B 143 LEU HD23 . 30686 1
537 . 2 . 2 51 51 LEU C C 13 176.100 0.20 1.000 1 . . . . B 143 LEU C . 30686 1
538 . 2 . 2 51 51 LEU CA C 13 55.040 0.20 1.000 1 . . . . B 143 LEU CA . 30686 1
539 . 2 . 2 51 51 LEU CB C 13 42.680 0.20 1.000 1 . . . . B 143 LEU CB . 30686 1
540 . 2 . 2 51 51 LEU CG C 13 26.630 0.20 1.000 1 . . . . B 143 LEU CG . 30686 1
541 . 2 . 2 51 51 LEU CD1 C 13 23.410 0.20 1.000 2 . . . . B 143 LEU CD1 . 30686 1
542 . 2 . 2 51 51 LEU CD2 C 13 23.410 0.20 1.000 2 . . . . B 143 LEU CD2 . 30686 1
543 . 2 . 2 51 51 LEU N N 15 125.568 0.20 1.000 1 . . . . B 143 LEU N . 30686 1
544 . 2 . 2 52 52 ASP H H 1 8.407 0.02 1.000 1 . . . . B 144 ASP H . 30686 1
545 . 2 . 2 52 52 ASP HA H 1 4.408 0.02 1.000 1 . . . . B 144 ASP HA . 30686 1
546 . 2 . 2 52 52 ASP HB2 H 1 2.646 0.02 0.898 2 . . . . B 144 ASP HB2 . 30686 1
547 . 2 . 2 52 52 ASP HB3 H 1 2.646 0.02 0.387 2 . . . . B 144 ASP HB3 . 30686 1
548 . 2 . 2 52 52 ASP C C 13 176.600 0.20 1.000 1 . . . . B 144 ASP C . 30686 1
549 . 2 . 2 52 52 ASP CA C 13 54.940 0.20 0.625 1 . . . . B 144 ASP CA . 30686 1
550 . 2 . 2 52 52 ASP CB C 13 41.240 0.20 1.000 1 . . . . B 144 ASP CB . 30686 1
551 . 2 . 2 52 52 ASP N N 15 121.702 0.20 1.000 1 . . . . B 144 ASP N . 30686 1
552 . 2 . 2 53 53 GLY H H 1 8.292 0.02 1.000 1 . . . . B 145 GLY H . 30686 1
553 . 2 . 2 53 53 GLY HA2 H 1 3.806 0.02 0.837 2 . . . . B 145 GLY HA2 . 30686 1
554 . 2 . 2 53 53 GLY HA3 H 1 3.806 0.02 0.853 2 . . . . B 145 GLY HA3 . 30686 1
555 . 2 . 2 53 53 GLY C C 13 174.300 0.20 1.000 1 . . . . B 145 GLY C . 30686 1
556 . 2 . 2 53 53 GLY CA C 13 45.670 0.20 1.000 1 . . . . B 145 GLY CA . 30686 1
557 . 2 . 2 53 53 GLY N N 15 114.857 0.20 1.000 1 . . . . B 145 GLY N . 30686 1
558 . 2 . 2 54 54 ALA H H 1 8.211 0.02 1.000 1 . . . . B 146 ALA H . 30686 1
559 . 2 . 2 54 54 ALA HA H 1 4.197 0.02 0.718 1 . . . . B 146 ALA HA . 30686 1
560 . 2 . 2 54 54 ALA HB1 H 1 1.294 0.02 1.000 1 . . . . B 146 ALA HB1 . 30686 1
561 . 2 . 2 54 54 ALA HB2 H 1 1.294 0.02 1.000 1 . . . . B 146 ALA HB2 . 30686 1
562 . 2 . 2 54 54 ALA HB3 H 1 1.294 0.02 1.000 1 . . . . B 146 ALA HB3 . 30686 1
563 . 2 . 2 54 54 ALA C C 13 177.700 0.20 1.000 1 . . . . B 146 ALA C . 30686 1
564 . 2 . 2 54 54 ALA CA C 13 52.480 0.20 1.000 1 . . . . B 146 ALA CA . 30686 1
565 . 2 . 2 54 54 ALA CB C 13 19.410 0.20 1.000 1 . . . . B 146 ALA CB . 30686 1
566 . 2 . 2 54 54 ALA N N 15 123.791 0.20 1.000 1 . . . . B 146 ALA N . 30686 1
567 . 2 . 2 55 55 LEU H H 1 8.027 0.02 1.000 1 . . . . B 147 LEU H . 30686 1
568 . 2 . 2 55 55 LEU HA H 1 4.176 0.02 1.000 1 . . . . B 147 LEU HA . 30686 1
569 . 2 . 2 55 55 LEU HB2 H 1 1.567 0.02 0.426 2 . . . . B 147 LEU HB2 . 30686 1
570 . 2 . 2 55 55 LEU HB3 H 1 1.567 0.02 0.549 2 . . . . B 147 LEU HB3 . 30686 1
571 . 2 . 2 55 55 LEU HG H 1 1.465 0.02 0.441 1 . . . . B 147 LEU HG . 30686 1
572 . 2 . 2 55 55 LEU HD11 H 1 0.7609 0.02 0.468 2 . . . . B 147 LEU HD11 . 30686 1
573 . 2 . 2 55 55 LEU HD12 H 1 0.7609 0.02 0.468 2 . . . . B 147 LEU HD12 . 30686 1
574 . 2 . 2 55 55 LEU HD13 H 1 0.7609 0.02 0.468 2 . . . . B 147 LEU HD13 . 30686 1
575 . 2 . 2 55 55 LEU HD21 H 1 0.7609 0.02 0.659 2 . . . . B 147 LEU HD21 . 30686 1
576 . 2 . 2 55 55 LEU HD22 H 1 0.7609 0.02 0.659 2 . . . . B 147 LEU HD22 . 30686 1
577 . 2 . 2 55 55 LEU HD23 H 1 0.7609 0.02 0.659 2 . . . . B 147 LEU HD23 . 30686 1
578 . 2 . 2 55 55 LEU C C 13 176.900 0.20 1.000 1 . . . . B 147 LEU C . 30686 1
579 . 2 . 2 55 55 LEU CA C 13 55.080 0.20 1.000 1 . . . . B 147 LEU CA . 30686 1
580 . 2 . 2 55 55 LEU CB C 13 42.300 0.20 1.000 1 . . . . B 147 LEU CB . 30686 1
581 . 2 . 2 55 55 LEU CG C 13 26.690 0.20 1.000 1 . . . . B 147 LEU CG . 30686 1
582 . 2 . 2 55 55 LEU CD1 C 13 25.010 0.20 0.689 2 . . . . B 147 LEU CD1 . 30686 1
583 . 2 . 2 55 55 LEU CD2 C 13 23.300 0.20 0.683 2 . . . . B 147 LEU CD2 . 30686 1
584 . 2 . 2 55 55 LEU N N 15 121.355 0.20 1.000 1 . . . . B 147 LEU N . 30686 1
585 . 2 . 2 56 56 ARG H H 1 8.020 0.02 1.000 1 . . . . B 148 ARG H . 30686 1
586 . 2 . 2 56 56 ARG HA H 1 4.250 0.02 1.000 1 . . . . B 148 ARG HA . 30686 1
587 . 2 . 2 56 56 ARG HB2 H 1 1.642 0.02 0.325 2 . . . . B 148 ARG HB2 . 30686 1
588 . 2 . 2 56 56 ARG HB3 H 1 1.641 0.02 0.543 2 . . . . B 148 ARG HB3 . 30686 1
589 . 2 . 2 56 56 ARG HG2 H 1 1.486 0.02 0.412 2 . . . . B 148 ARG HG2 . 30686 1
590 . 2 . 2 56 56 ARG HG3 H 1 1.486 0.02 0.382 2 . . . . B 148 ARG HG3 . 30686 1
591 . 2 . 2 56 56 ARG HD2 H 1 3.078 0.02 0.540 2 . . . . B 148 ARG HD2 . 30686 1
592 . 2 . 2 56 56 ARG HD3 H 1 3.078 0.02 0.750 2 . . . . B 148 ARG HD3 . 30686 1
593 . 2 . 2 56 56 ARG C C 13 174.800 0.20 1.000 1 . . . . B 148 ARG C . 30686 1
594 . 2 . 2 56 56 ARG CA C 13 55.660 0.20 1.000 1 . . . . B 148 ARG CA . 30686 1
595 . 2 . 2 56 56 ARG CB C 13 31.090 0.20 1.000 1 . . . . B 148 ARG CB . 30686 1
596 . 2 . 2 56 56 ARG CG C 13 26.720 0.20 1.000 1 . . . . B 148 ARG CG . 30686 1
597 . 2 . 2 56 56 ARG CD C 13 43.110 0.20 1.000 1 . . . . B 148 ARG CD . 30686 1
598 . 2 . 2 56 56 ARG N N 15 122.468 0.20 1.000 1 . . . . B 148 ARG N . 30686 1
599 . 2 . 2 57 57 TYR H H 1 7.640 0.02 1.000 1 . . . . B 149 TYR H . 30686 1
600 . 2 . 2 57 57 TYR HB2 H 1 2.990 0.02 0.325 2 . . . . B 149 TYR HB2 . 30686 1
601 . 2 . 2 57 57 TYR HB3 H 1 2.762 0.02 0.543 2 . . . . B 149 TYR HB3 . 30686 1
602 . 2 . 2 57 57 TYR C C 13 180.400 0.20 1.000 1 . . . . B 149 TYR C . 30686 1
603 . 2 . 2 57 57 TYR CA C 13 59.110 0.02 1.000 1 . . . . B 149 TYR CA . 30686 1
604 . 2 . 2 57 57 TYR CB C 13 39.600 0.20 1.000 1 . . . . B 149 TYR CB . 30686 1
605 . 2 . 2 57 57 TYR N N 15 126.666 0.20 1.000 1 . . . . B 149 TYR N . 30686 1
stop_
save_