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 34170
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 0.02
_Assigned_chem_shift_list.Chem_shift_13C_err 0.3
_Assigned_chem_shift_list.Chem_shift_15N_err 0.3
_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 1H-1H NOESY' . . . 34170 1
2 '3D 1H-15N NOESY' . . . 34170 1
3 '3D 1H-13C NOESY aliphatic' . . . 34170 1
4 '2D 1H-15N HSQC' . . . 34170 1
5 '2D 1H-13C HSQC' . . . 34170 1
6 '3D HCCH-TOCSY' . . . 34170 1
7 '3D HN(CA)CO' . . . 34170 1
8 '3D HN(COCA)CB' . . . 34170 1
9 '3D HNHA' . . . 34170 1
10 '3D HN(CO)CA' . . . 34170 1
11 '3D HNCACB' . . . 34170 1
12 '3D HNCA' . . . 34170 1
13 '3D 1H-15N TOCSY' . . . 34170 1
14 '3D HNCO' . . . 34170 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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 . 1 1 2 2 GLU H H 1 8.310 0.020 . 1 . . . . A 2 GLU H . 34170 1
2 . 1 1 2 2 GLU HA H 1 4.814 0.020 . 1 . . . . A 2 GLU HA . 34170 1
3 . 1 1 2 2 GLU HB2 H 1 1.789 0.020 . 1 . . . . A 2 GLU HB2 . 34170 1
4 . 1 1 2 2 GLU HB3 H 1 1.789 0.020 . 1 . . . . A 2 GLU HB3 . 34170 1
5 . 1 1 2 2 GLU HG2 H 1 2.021 0.020 . 2 . . . . A 2 GLU HG2 . 34170 1
6 . 1 1 2 2 GLU HG3 H 1 1.848 0.020 . 2 . . . . A 2 GLU HG3 . 34170 1
7 . 1 1 2 2 GLU C C 13 174.943 0.300 . 1 . . . . A 2 GLU C . 34170 1
8 . 1 1 2 2 GLU CA C 13 55.348 0.300 . 1 . . . . A 2 GLU CA . 34170 1
9 . 1 1 2 2 GLU CB C 13 31.373 0.300 . 1 . . . . A 2 GLU CB . 34170 1
10 . 1 1 2 2 GLU CG C 13 37.377 0.300 . 1 . . . . A 2 GLU CG . 34170 1
11 . 1 1 2 2 GLU N N 15 122.838 0.300 . 1 . . . . A 2 GLU N . 34170 1
12 . 1 1 3 3 TYR H H 1 9.236 0.020 . 1 . . . . A 3 TYR H . 34170 1
13 . 1 1 3 3 TYR HA H 1 4.675 0.020 . 1 . . . . A 3 TYR HA . 34170 1
14 . 1 1 3 3 TYR HB2 H 1 3.191 0.020 . 2 . . . . A 3 TYR HB2 . 34170 1
15 . 1 1 3 3 TYR HB3 H 1 2.580 0.020 . 2 . . . . A 3 TYR HB3 . 34170 1
16 . 1 1 3 3 TYR HD1 H 1 7.194 0.020 . 1 . . . . A 3 TYR HD1 . 34170 1
17 . 1 1 3 3 TYR HD2 H 1 7.194 0.020 . 1 . . . . A 3 TYR HD2 . 34170 1
18 . 1 1 3 3 TYR HE1 H 1 6.772 0.020 . 1 . . . . A 3 TYR HE1 . 34170 1
19 . 1 1 3 3 TYR HE2 H 1 6.772 0.020 . 1 . . . . A 3 TYR HE2 . 34170 1
20 . 1 1 3 3 TYR C C 13 174.781 0.300 . 1 . . . . A 3 TYR C . 34170 1
21 . 1 1 3 3 TYR CA C 13 57.724 0.300 . 1 . . . . A 3 TYR CA . 34170 1
22 . 1 1 3 3 TYR CB C 13 40.388 0.300 . 1 . . . . A 3 TYR CB . 34170 1
23 . 1 1 3 3 TYR N N 15 126.392 0.300 . 1 . . . . A 3 TYR N . 34170 1
24 . 1 1 4 4 LYS H H 1 8.813 0.020 . 1 . . . . A 4 LYS H . 34170 1
25 . 1 1 4 4 LYS HA H 1 4.898 0.020 . 1 . . . . A 4 LYS HA . 34170 1
26 . 1 1 4 4 LYS HB2 H 1 1.922 0.020 . 2 . . . . A 4 LYS HB2 . 34170 1
27 . 1 1 4 4 LYS HB3 H 1 1.857 0.020 . 2 . . . . A 4 LYS HB3 . 34170 1
28 . 1 1 4 4 LYS HG2 H 1 1.476 0.020 . 2 . . . . A 4 LYS HG2 . 34170 1
29 . 1 1 4 4 LYS HG3 H 1 1.436 0.020 . 2 . . . . A 4 LYS HG3 . 34170 1
30 . 1 1 4 4 LYS HD2 H 1 1.646 0.020 . 1 . . . . A 4 LYS HD2 . 34170 1
31 . 1 1 4 4 LYS HD3 H 1 1.646 0.020 . 1 . . . . A 4 LYS HD3 . 34170 1
32 . 1 1 4 4 LYS C C 13 176.387 0.300 . 1 . . . . A 4 LYS C . 34170 1
33 . 1 1 4 4 LYS CA C 13 55.908 0.300 . 1 . . . . A 4 LYS CA . 34170 1
34 . 1 1 4 4 LYS CB C 13 34.035 0.300 . 1 . . . . A 4 LYS CB . 34170 1
35 . 1 1 4 4 LYS CG C 13 25.202 0.300 . 1 . . . . A 4 LYS CG . 34170 1
36 . 1 1 4 4 LYS CD C 13 29.521 0.300 . 1 . . . . A 4 LYS CD . 34170 1
37 . 1 1 4 4 LYS CE C 13 41.809 0.300 . 1 . . . . A 4 LYS CE . 34170 1
38 . 1 1 4 4 LYS N N 15 122.391 0.300 . 1 . . . . A 4 LYS N . 34170 1
39 . 1 1 5 5 GLY H H 1 8.954 0.020 . 1 . . . . A 5 GLY H . 34170 1
40 . 1 1 5 5 GLY HA2 H 1 4.656 0.020 . 2 . . . . A 5 GLY HA2 . 34170 1
41 . 1 1 5 5 GLY HA3 H 1 4.174 0.020 . 2 . . . . A 5 GLY HA3 . 34170 1
42 . 1 1 5 5 GLY C C 13 173.751 0.300 . 1 . . . . A 5 GLY C . 34170 1
43 . 1 1 5 5 GLY CA C 13 45.343 0.300 . 1 . . . . A 5 GLY CA . 34170 1
44 . 1 1 5 5 GLY N N 15 112.850 0.300 . 1 . . . . A 5 GLY N . 34170 1
45 . 1 1 6 6 GLU H H 1 8.456 0.020 . 1 . . . . A 6 GLU H . 34170 1
46 . 1 1 6 6 GLU HA H 1 5.182 0.020 . 1 . . . . A 6 GLU HA . 34170 1
47 . 1 1 6 6 GLU HB2 H 1 1.855 0.020 . 2 . . . . A 6 GLU HB2 . 34170 1
48 . 1 1 6 6 GLU HB3 H 1 1.612 0.020 . 2 . . . . A 6 GLU HB3 . 34170 1
49 . 1 1 6 6 GLU HG2 H 1 2.194 0.020 . 1 . . . . A 6 GLU HG2 . 34170 1
50 . 1 1 6 6 GLU HG3 H 1 2.194 0.020 . 1 . . . . A 6 GLU HG3 . 34170 1
51 . 1 1 6 6 GLU C C 13 174.770 0.300 . 1 . . . . A 6 GLU C . 34170 1
52 . 1 1 6 6 GLU CA C 13 53.806 0.300 . 1 . . . . A 6 GLU CA . 34170 1
53 . 1 1 6 6 GLU CB C 13 34.339 0.300 . 1 . . . . A 6 GLU CB . 34170 1
54 . 1 1 6 6 GLU CG C 13 35.920 0.300 . 1 . . . . A 6 GLU CG . 34170 1
55 . 1 1 6 6 GLU N N 15 121.309 0.300 . 1 . . . . A 6 GLU N . 34170 1
56 . 1 1 7 7 CYS H H 1 9.405 0.020 . 1 . . . . A 7 CYS H . 34170 1
57 . 1 1 7 7 CYS HA H 1 6.300 0.020 . 1 . . . . A 7 CYS HA . 34170 1
58 . 1 1 7 7 CYS HB2 H 1 3.500 0.020 . 2 . . . . A 7 CYS HB2 . 34170 1
59 . 1 1 7 7 CYS HB3 H 1 2.750 0.020 . 2 . . . . A 7 CYS HB3 . 34170 1
60 . 1 1 7 7 CYS C C 13 170.626 0.300 . 1 . . . . A 7 CYS C . 34170 1
61 . 1 1 7 7 CYS CA C 13 51.965 0.300 . 1 . . . . A 7 CYS CA . 34170 1
62 . 1 1 7 7 CYS CB C 13 43.585 0.300 . 1 . . . . A 7 CYS CB . 34170 1
63 . 1 1 7 7 CYS N N 15 120.208 0.300 . 1 . . . . A 7 CYS N . 34170 1
64 . 1 1 8 8 PHE H H 1 8.806 0.020 . 1 . . . . A 8 PHE H . 34170 1
65 . 1 1 8 8 PHE HA H 1 4.842 0.020 . 1 . . . . A 8 PHE HA . 34170 1
66 . 1 1 8 8 PHE HB2 H 1 3.308 0.020 . 2 . . . . A 8 PHE HB2 . 34170 1
67 . 1 1 8 8 PHE HB3 H 1 2.892 0.020 . 2 . . . . A 8 PHE HB3 . 34170 1
68 . 1 1 8 8 PHE HD1 H 1 7.185 0.020 . 1 . . . . A 8 PHE HD1 . 34170 1
69 . 1 1 8 8 PHE HD2 H 1 7.185 0.020 . 1 . . . . A 8 PHE HD2 . 34170 1
70 . 1 1 8 8 PHE C C 13 176.683 0.300 . 1 . . . . A 8 PHE C . 34170 1
71 . 1 1 8 8 PHE CA C 13 57.340 0.300 . 1 . . . . A 8 PHE CA . 34170 1
72 . 1 1 8 8 PHE CB C 13 42.226 0.300 . 1 . . . . A 8 PHE CB . 34170 1
73 . 1 1 8 8 PHE N N 15 117.890 0.300 . 1 . . . . A 8 PHE N . 34170 1
74 . 1 1 9 9 THR H H 1 9.059 0.020 . 1 . . . . A 9 THR H . 34170 1
75 . 1 1 9 9 THR HA H 1 4.051 0.020 . 1 . . . . A 9 THR HA . 34170 1
76 . 1 1 9 9 THR HB H 1 4.119 0.020 . 1 . . . . A 9 THR HB . 34170 1
77 . 1 1 9 9 THR HG21 H 1 0.965 0.020 . 1 . . . . A 9 THR HG21 . 34170 1
78 . 1 1 9 9 THR HG22 H 1 0.965 0.020 . 1 . . . . A 9 THR HG22 . 34170 1
79 . 1 1 9 9 THR HG23 H 1 0.965 0.020 . 1 . . . . A 9 THR HG23 . 34170 1
80 . 1 1 9 9 THR C C 13 177.900 0.300 . 1 . . . . A 9 THR C . 34170 1
81 . 1 1 9 9 THR CA C 13 64.132 0.300 . 1 . . . . A 9 THR CA . 34170 1
82 . 1 1 9 9 THR CB C 13 69.740 0.300 . 1 . . . . A 9 THR CB . 34170 1
83 . 1 1 9 9 THR CG2 C 13 21.679 0.300 . 1 . . . . A 9 THR CG2 . 34170 1
84 . 1 1 9 9 THR N N 15 113.927 0.300 . 1 . . . . A 9 THR N . 34170 1
85 . 1 1 10 10 LYS H H 1 9.099 0.020 . 1 . . . . A 10 LYS H . 34170 1
86 . 1 1 10 10 LYS HA H 1 4.007 0.020 . 1 . . . . A 10 LYS HA . 34170 1
87 . 1 1 10 10 LYS HB2 H 1 1.951 0.020 . 2 . . . . A 10 LYS HB2 . 34170 1
88 . 1 1 10 10 LYS HB3 H 1 1.695 0.020 . 2 . . . . A 10 LYS HB3 . 34170 1
89 . 1 1 10 10 LYS HG2 H 1 1.364 0.020 . 2 . . . . A 10 LYS HG2 . 34170 1
90 . 1 1 10 10 LYS HG3 H 1 1.324 0.020 . 2 . . . . A 10 LYS HG3 . 34170 1
91 . 1 1 10 10 LYS HD2 H 1 1.652 0.020 . 1 . . . . A 10 LYS HD2 . 34170 1
92 . 1 1 10 10 LYS HD3 H 1 1.652 0.020 . 1 . . . . A 10 LYS HD3 . 34170 1
93 . 1 1 10 10 LYS C C 13 177.197 0.300 . 1 . . . . A 10 LYS C . 34170 1
94 . 1 1 10 10 LYS CA C 13 60.036 0.300 . 1 . . . . A 10 LYS CA . 34170 1
95 . 1 1 10 10 LYS CB C 13 31.445 0.300 . 1 . . . . A 10 LYS CB . 34170 1
96 . 1 1 10 10 LYS CG C 13 24.374 0.300 . 1 . . . . A 10 LYS CG . 34170 1
97 . 1 1 10 10 LYS CD C 13 29.032 0.300 . 1 . . . . A 10 LYS CD . 34170 1
98 . 1 1 10 10 LYS CE C 13 41.998 0.300 . 1 . . . . A 10 LYS CE . 34170 1
99 . 1 1 10 10 LYS N N 15 125.469 0.300 . 1 . . . . A 10 LYS N . 34170 1
100 . 1 1 11 11 ASP H H 1 7.807 0.020 . 1 . . . . A 11 ASP H . 34170 1
101 . 1 1 11 11 ASP HA H 1 4.677 0.020 . 1 . . . . A 11 ASP HA . 34170 1
102 . 1 1 11 11 ASP HB2 H 1 2.714 0.020 . 2 . . . . A 11 ASP HB2 . 34170 1
103 . 1 1 11 11 ASP HB3 H 1 2.520 0.020 . 2 . . . . A 11 ASP HB3 . 34170 1
104 . 1 1 11 11 ASP C C 13 176.226 0.300 . 1 . . . . A 11 ASP C . 34170 1
105 . 1 1 11 11 ASP CA C 13 51.984 0.300 . 1 . . . . A 11 ASP CA . 34170 1
106 . 1 1 11 11 ASP CB C 13 40.917 0.300 . 1 . . . . A 11 ASP CB . 34170 1
107 . 1 1 11 11 ASP N N 15 112.993 0.300 . 1 . . . . A 11 ASP N . 34170 1
108 . 1 1 12 12 ASN H H 1 7.690 0.020 . 1 . . . . A 12 ASN H . 34170 1
109 . 1 1 12 12 ASN HA H 1 4.695 0.020 . 1 . . . . A 12 ASN HA . 34170 1
110 . 1 1 12 12 ASN HB2 H 1 3.265 0.020 . 2 . . . . A 12 ASN HB2 . 34170 1
111 . 1 1 12 12 ASN HB3 H 1 2.338 0.020 . 2 . . . . A 12 ASN HB3 . 34170 1
112 . 1 1 12 12 ASN HD21 H 1 6.549 0.020 . 1 . . . . A 12 ASN HD21 . 34170 1
113 . 1 1 12 12 ASN HD22 H 1 7.289 0.020 . 1 . . . . A 12 ASN HD22 . 34170 1
114 . 1 1 12 12 ASN C C 13 174.282 0.300 . 1 . . . . A 12 ASN C . 34170 1
115 . 1 1 12 12 ASN CA C 13 53.787 0.300 . 1 . . . . A 12 ASN CA . 34170 1
116 . 1 1 12 12 ASN CB C 13 37.529 0.300 . 1 . . . . A 12 ASN CB . 34170 1
117 . 1 1 12 12 ASN N N 15 121.005 0.300 . 1 . . . . A 12 ASN N . 34170 1
118 . 1 1 12 12 ASN ND2 N 15 114.010 0.300 . 1 . . . . A 12 ASN ND2 . 34170 1
119 . 1 1 13 13 THR H H 1 7.857 0.020 . 1 . . . . A 13 THR H . 34170 1
120 . 1 1 13 13 THR HA H 1 4.879 0.020 . 1 . . . . A 13 THR HA . 34170 1
121 . 1 1 13 13 THR HB H 1 3.923 0.020 . 1 . . . . A 13 THR HB . 34170 1
122 . 1 1 13 13 THR HG21 H 1 1.026 0.020 . 1 . . . . A 13 THR HG21 . 34170 1
123 . 1 1 13 13 THR HG22 H 1 1.026 0.020 . 1 . . . . A 13 THR HG22 . 34170 1
124 . 1 1 13 13 THR HG23 H 1 1.026 0.020 . 1 . . . . A 13 THR HG23 . 34170 1
125 . 1 1 13 13 THR C C 13 172.821 0.300 . 1 . . . . A 13 THR C . 34170 1
126 . 1 1 13 13 THR CA C 13 60.492 0.300 . 1 . . . . A 13 THR CA . 34170 1
127 . 1 1 13 13 THR CB C 13 72.489 0.300 . 1 . . . . A 13 THR CB . 34170 1
128 . 1 1 13 13 THR CG2 C 13 22.056 0.300 . 1 . . . . A 13 THR CG2 . 34170 1
129 . 1 1 13 13 THR N N 15 108.391 0.300 . 1 . . . . A 13 THR N . 34170 1
130 . 1 1 14 14 CYS H H 1 9.460 0.020 . 1 . . . . A 14 CYS H . 34170 1
131 . 1 1 14 14 CYS HA H 1 4.886 0.020 . 1 . . . . A 14 CYS HA . 34170 1
132 . 1 1 14 14 CYS HB2 H 1 2.777 0.020 . 2 . . . . A 14 CYS HB2 . 34170 1
133 . 1 1 14 14 CYS HB3 H 1 2.726 0.020 . 2 . . . . A 14 CYS HB3 . 34170 1
134 . 1 1 14 14 CYS C C 13 172.357 0.300 . 1 . . . . A 14 CYS C . 34170 1
135 . 1 1 14 14 CYS CA C 13 53.768 0.300 . 1 . . . . A 14 CYS CA . 34170 1
136 . 1 1 14 14 CYS CB C 13 42.471 0.300 . 1 . . . . A 14 CYS CB . 34170 1
137 . 1 1 14 14 CYS N N 15 120.402 0.300 . 1 . . . . A 14 CYS N . 34170 1
138 . 1 1 15 15 LYS H H 1 9.337 0.020 . 1 . . . . A 15 LYS H . 34170 1
139 . 1 1 15 15 LYS HA H 1 5.351 0.020 . 1 . . . . A 15 LYS HA . 34170 1
140 . 1 1 15 15 LYS HB2 H 1 2.073 0.020 . 2 . . . . A 15 LYS HB2 . 34170 1
141 . 1 1 15 15 LYS HB3 H 1 1.832 0.020 . 2 . . . . A 15 LYS HB3 . 34170 1
142 . 1 1 15 15 LYS HG2 H 1 1.397 0.020 . 2 . . . . A 15 LYS HG2 . 34170 1
143 . 1 1 15 15 LYS HG3 H 1 1.147 0.020 . 2 . . . . A 15 LYS HG3 . 34170 1
144 . 1 1 15 15 LYS HD2 H 1 1.587 0.020 . 1 . . . . A 15 LYS HD2 . 34170 1
145 . 1 1 15 15 LYS HD3 H 1 1.587 0.020 . 1 . . . . A 15 LYS HD3 . 34170 1
146 . 1 1 15 15 LYS HE2 H 1 2.911 0.020 . 2 . . . . A 15 LYS HE2 . 34170 1
147 . 1 1 15 15 LYS HE3 H 1 2.748 0.020 . 2 . . . . A 15 LYS HE3 . 34170 1
148 . 1 1 15 15 LYS C C 13 175.305 0.300 . 1 . . . . A 15 LYS C . 34170 1
149 . 1 1 15 15 LYS CA C 13 55.064 0.300 . 1 . . . . A 15 LYS CA . 34170 1
150 . 1 1 15 15 LYS CB C 13 33.973 0.300 . 1 . . . . A 15 LYS CB . 34170 1
151 . 1 1 15 15 LYS CG C 13 25.152 0.300 . 1 . . . . A 15 LYS CG . 34170 1
152 . 1 1 15 15 LYS CD C 13 29.680 0.300 . 1 . . . . A 15 LYS CD . 34170 1
153 . 1 1 15 15 LYS CE C 13 41.873 0.300 . 1 . . . . A 15 LYS CE . 34170 1
154 . 1 1 15 15 LYS N N 15 130.983 0.300 . 1 . . . . A 15 LYS N . 34170 1
155 . 1 1 16 16 TYR H H 1 8.770 0.020 . 1 . . . . A 16 TYR H . 34170 1
156 . 1 1 16 16 TYR HA H 1 5.207 0.020 . 1 . . . . A 16 TYR HA . 34170 1
157 . 1 1 16 16 TYR HB2 H 1 2.798 0.020 . 2 . . . . A 16 TYR HB2 . 34170 1
158 . 1 1 16 16 TYR HB3 H 1 2.588 0.020 . 2 . . . . A 16 TYR HB3 . 34170 1
159 . 1 1 16 16 TYR HD1 H 1 6.496 0.020 . 1 . . . . A 16 TYR HD1 . 34170 1
160 . 1 1 16 16 TYR HD2 H 1 6.496 0.020 . 1 . . . . A 16 TYR HD2 . 34170 1
161 . 1 1 16 16 TYR HE1 H 1 5.760 0.020 . 1 . . . . A 16 TYR HE1 . 34170 1
162 . 1 1 16 16 TYR HE2 H 1 5.760 0.020 . 1 . . . . A 16 TYR HE2 . 34170 1
163 . 1 1 16 16 TYR C C 13 171.944 0.300 . 1 . . . . A 16 TYR C . 34170 1
164 . 1 1 16 16 TYR CA C 13 55.219 0.300 . 1 . . . . A 16 TYR CA . 34170 1
165 . 1 1 16 16 TYR CB C 13 40.732 0.300 . 1 . . . . A 16 TYR CB . 34170 1
166 . 1 1 16 16 TYR N N 15 125.913 0.300 . 1 . . . . A 16 TYR N . 34170 1
167 . 1 1 17 17 LYS H H 1 8.236 0.020 . 1 . . . . A 17 LYS H . 34170 1
168 . 1 1 17 17 LYS HA H 1 5.500 0.020 . 1 . . . . A 17 LYS HA . 34170 1
169 . 1 1 17 17 LYS HB2 H 1 1.672 0.020 . 2 . . . . A 17 LYS HB2 . 34170 1
170 . 1 1 17 17 LYS HB3 H 1 1.449 0.020 . 2 . . . . A 17 LYS HB3 . 34170 1
171 . 1 1 17 17 LYS HG2 H 1 1.261 0.020 . 2 . . . . A 17 LYS HG2 . 34170 1
172 . 1 1 17 17 LYS HG3 H 1 1.149 0.020 . 2 . . . . A 17 LYS HG3 . 34170 1
173 . 1 1 17 17 LYS HD2 H 1 1.501 0.020 . 1 . . . . A 17 LYS HD2 . 34170 1
174 . 1 1 17 17 LYS HD3 H 1 1.501 0.020 . 1 . . . . A 17 LYS HD3 . 34170 1
175 . 1 1 17 17 LYS HE2 H 1 2.522 0.020 . 2 . . . . A 17 LYS HE2 . 34170 1
176 . 1 1 17 17 LYS HE3 H 1 1.984 0.020 . 2 . . . . A 17 LYS HE3 . 34170 1
177 . 1 1 17 17 LYS C C 13 176.923 0.300 . 1 . . . . A 17 LYS C . 34170 1
178 . 1 1 17 17 LYS CA C 13 54.364 0.300 . 1 . . . . A 17 LYS CA . 34170 1
179 . 1 1 17 17 LYS CB C 13 36.424 0.300 . 1 . . . . A 17 LYS CB . 34170 1
180 . 1 1 17 17 LYS CG C 13 25.096 0.300 . 1 . . . . A 17 LYS CG . 34170 1
181 . 1 1 17 17 LYS CD C 13 29.701 0.300 . 1 . . . . A 17 LYS CD . 34170 1
182 . 1 1 17 17 LYS CE C 13 41.943 0.300 . 1 . . . . A 17 LYS CE . 34170 1
183 . 1 1 17 17 LYS N N 15 118.313 0.300 . 1 . . . . A 17 LYS N . 34170 1
184 . 1 1 18 18 ILE H H 1 8.474 0.020 . 1 . . . . A 18 ILE H . 34170 1
185 . 1 1 18 18 ILE HA H 1 4.062 0.020 . 1 . . . . A 18 ILE HA . 34170 1
186 . 1 1 18 18 ILE HB H 1 1.595 0.020 . 1 . . . . A 18 ILE HB . 34170 1
187 . 1 1 18 18 ILE HG12 H 1 1.009 0.020 . 2 . . . . A 18 ILE HG12 . 34170 1
188 . 1 1 18 18 ILE HG13 H 1 -0.100 0.020 . 2 . . . . A 18 ILE HG13 . 34170 1
189 . 1 1 18 18 ILE HG21 H 1 0.711 0.020 . 1 . . . . A 18 ILE HG21 . 34170 1
190 . 1 1 18 18 ILE HG22 H 1 0.711 0.020 . 1 . . . . A 18 ILE HG22 . 34170 1
191 . 1 1 18 18 ILE HG23 H 1 0.711 0.020 . 1 . . . . A 18 ILE HG23 . 34170 1
192 . 1 1 18 18 ILE HD11 H 1 0.189 0.020 . 1 . . . . A 18 ILE HD11 . 34170 1
193 . 1 1 18 18 ILE HD12 H 1 0.189 0.020 . 1 . . . . A 18 ILE HD12 . 34170 1
194 . 1 1 18 18 ILE HD13 H 1 0.189 0.020 . 1 . . . . A 18 ILE HD13 . 34170 1
195 . 1 1 18 18 ILE C C 13 177.051 0.300 . 1 . . . . A 18 ILE C . 34170 1
196 . 1 1 18 18 ILE CA C 13 61.730 0.300 . 1 . . . . A 18 ILE CA . 34170 1
197 . 1 1 18 18 ILE CB C 13 39.923 0.300 . 1 . . . . A 18 ILE CB . 34170 1
198 . 1 1 18 18 ILE CG1 C 13 25.402 0.300 . 1 . . . . A 18 ILE CG1 . 34170 1
199 . 1 1 18 18 ILE CG2 C 13 16.696 0.300 . 1 . . . . A 18 ILE CG2 . 34170 1
200 . 1 1 18 18 ILE CD1 C 13 13.783 0.300 . 1 . . . . A 18 ILE CD1 . 34170 1
201 . 1 1 18 18 ILE N N 15 118.975 0.300 . 1 . . . . A 18 ILE N . 34170 1
202 . 1 1 19 19 ASP H H 1 9.574 0.020 . 1 . . . . A 19 ASP H . 34170 1
203 . 1 1 19 19 ASP HA H 1 4.279 0.020 . 1 . . . . A 19 ASP HA . 34170 1
204 . 1 1 19 19 ASP HB2 H 1 2.975 0.020 . 2 . . . . A 19 ASP HB2 . 34170 1
205 . 1 1 19 19 ASP HB3 H 1 2.616 0.020 . 2 . . . . A 19 ASP HB3 . 34170 1
206 . 1 1 19 19 ASP CA C 13 55.413 0.300 . 1 . . . . A 19 ASP CA . 34170 1
207 . 1 1 19 19 ASP CB C 13 39.652 0.300 . 1 . . . . A 19 ASP CB . 34170 1
208 . 1 1 19 19 ASP N N 15 130.321 0.300 . 1 . . . . A 19 ASP N . 34170 1
209 . 1 1 20 20 GLY H H 1 8.583 0.020 . 1 . . . . A 20 GLY H . 34170 1
210 . 1 1 20 20 GLY HA2 H 1 4.154 0.020 . 2 . . . . A 20 GLY HA2 . 34170 1
211 . 1 1 20 20 GLY HA3 H 1 3.557 0.020 . 2 . . . . A 20 GLY HA3 . 34170 1
212 . 1 1 20 20 GLY C C 13 173.495 0.300 . 1 . . . . A 20 GLY C . 34170 1
213 . 1 1 20 20 GLY CA C 13 45.318 0.300 . 1 . . . . A 20 GLY CA . 34170 1
214 . 1 1 20 20 GLY N N 15 103.267 0.300 . 1 . . . . A 20 GLY N . 34170 1
215 . 1 1 21 21 LYS H H 1 7.840 0.020 . 1 . . . . A 21 LYS H . 34170 1
216 . 1 1 21 21 LYS HA H 1 4.403 0.020 . 1 . . . . A 21 LYS HA . 34170 1
217 . 1 1 21 21 LYS HB2 H 1 1.700 0.020 . 2 . . . . A 21 LYS HB2 . 34170 1
218 . 1 1 21 21 LYS HB3 H 1 1.603 0.020 . 2 . . . . A 21 LYS HB3 . 34170 1
219 . 1 1 21 21 LYS HG2 H 1 1.307 0.020 . 2 . . . . A 21 LYS HG2 . 34170 1
220 . 1 1 21 21 LYS HG3 H 1 1.061 0.020 . 2 . . . . A 21 LYS HG3 . 34170 1
221 . 1 1 21 21 LYS HD2 H 1 1.601 0.020 . 1 . . . . A 21 LYS HD2 . 34170 1
222 . 1 1 21 21 LYS HD3 H 1 1.601 0.020 . 1 . . . . A 21 LYS HD3 . 34170 1
223 . 1 1 21 21 LYS HE2 H 1 2.825 0.020 . 1 . . . . A 21 LYS HE2 . 34170 1
224 . 1 1 21 21 LYS HE3 H 1 2.825 0.020 . 1 . . . . A 21 LYS HE3 . 34170 1
225 . 1 1 21 21 LYS C C 13 174.548 0.300 . 1 . . . . A 21 LYS C . 34170 1
226 . 1 1 21 21 LYS CA C 13 54.776 0.300 . 1 . . . . A 21 LYS CA . 34170 1
227 . 1 1 21 21 LYS CB C 13 34.175 0.300 . 1 . . . . A 21 LYS CB . 34170 1
228 . 1 1 21 21 LYS CG C 13 24.892 0.300 . 1 . . . . A 21 LYS CG . 34170 1
229 . 1 1 21 21 LYS CD C 13 29.032 0.300 . 1 . . . . A 21 LYS CD . 34170 1
230 . 1 1 21 21 LYS CE C 13 42.024 0.300 . 1 . . . . A 21 LYS CE . 34170 1
231 . 1 1 21 21 LYS N N 15 123.439 0.300 . 1 . . . . A 21 LYS N . 34170 1
232 . 1 1 22 22 THR H H 1 8.190 0.020 . 1 . . . . A 22 THR H . 34170 1
233 . 1 1 22 22 THR HA H 1 4.257 0.020 . 1 . . . . A 22 THR HA . 34170 1
234 . 1 1 22 22 THR HB H 1 3.691 0.020 . 1 . . . . A 22 THR HB . 34170 1
235 . 1 1 22 22 THR HG21 H 1 0.904 0.020 . 1 . . . . A 22 THR HG21 . 34170 1
236 . 1 1 22 22 THR HG22 H 1 0.904 0.020 . 1 . . . . A 22 THR HG22 . 34170 1
237 . 1 1 22 22 THR HG23 H 1 0.904 0.020 . 1 . . . . A 22 THR HG23 . 34170 1
238 . 1 1 22 22 THR C C 13 173.036 0.300 . 1 . . . . A 22 THR C . 34170 1
239 . 1 1 22 22 THR CA C 13 63.248 0.300 . 1 . . . . A 22 THR CA . 34170 1
240 . 1 1 22 22 THR CB C 13 69.139 0.300 . 1 . . . . A 22 THR CB . 34170 1
241 . 1 1 22 22 THR CG2 C 13 22.421 0.300 . 1 . . . . A 22 THR CG2 . 34170 1
242 . 1 1 22 22 THR N N 15 119.144 0.300 . 1 . . . . A 22 THR N . 34170 1
243 . 1 1 23 23 TYR H H 1 8.901 0.020 . 1 . . . . A 23 TYR H . 34170 1
244 . 1 1 23 23 TYR HA H 1 4.148 0.020 . 1 . . . . A 23 TYR HA . 34170 1
245 . 1 1 23 23 TYR HB2 H 1 2.288 0.020 . 2 . . . . A 23 TYR HB2 . 34170 1
246 . 1 1 23 23 TYR HB3 H 1 1.069 0.020 . 2 . . . . A 23 TYR HB3 . 34170 1
247 . 1 1 23 23 TYR HD1 H 1 6.743 0.020 . 1 . . . . A 23 TYR HD1 . 34170 1
248 . 1 1 23 23 TYR HD2 H 1 6.743 0.020 . 1 . . . . A 23 TYR HD2 . 34170 1
249 . 1 1 23 23 TYR HE1 H 1 6.604 0.020 . 1 . . . . A 23 TYR HE1 . 34170 1
250 . 1 1 23 23 TYR HE2 H 1 6.604 0.020 . 1 . . . . A 23 TYR HE2 . 34170 1
251 . 1 1 23 23 TYR C C 13 172.444 0.300 . 1 . . . . A 23 TYR C . 34170 1
252 . 1 1 23 23 TYR CA C 13 56.688 0.300 . 1 . . . . A 23 TYR CA . 34170 1
253 . 1 1 23 23 TYR CB C 13 41.226 0.300 . 1 . . . . A 23 TYR CB . 34170 1
254 . 1 1 23 23 TYR N N 15 127.281 0.300 . 1 . . . . A 23 TYR N . 34170 1
255 . 1 1 24 24 LEU H H 1 7.997 0.020 . 1 . . . . A 24 LEU H . 34170 1
256 . 1 1 24 24 LEU HA H 1 5.201 0.020 . 1 . . . . A 24 LEU HA . 34170 1
257 . 1 1 24 24 LEU HB2 H 1 1.512 0.020 . 2 . . . . A 24 LEU HB2 . 34170 1
258 . 1 1 24 24 LEU HB3 H 1 1.242 0.020 . 2 . . . . A 24 LEU HB3 . 34170 1
259 . 1 1 24 24 LEU HD11 H 1 0.768 0.020 . 1 . . . . A 24 LEU HD11 . 34170 1
260 . 1 1 24 24 LEU HD12 H 1 0.768 0.020 . 1 . . . . A 24 LEU HD12 . 34170 1
261 . 1 1 24 24 LEU HD13 H 1 0.768 0.020 . 1 . . . . A 24 LEU HD13 . 34170 1
262 . 1 1 24 24 LEU C C 13 177.062 0.300 . 1 . . . . A 24 LEU C . 34170 1
263 . 1 1 24 24 LEU CA C 13 53.196 0.300 . 1 . . . . A 24 LEU CA . 34170 1
264 . 1 1 24 24 LEU CB C 13 45.077 0.300 . 1 . . . . A 24 LEU CB . 34170 1
265 . 1 1 24 24 LEU CG C 13 27.340 0.300 . 1 . . . . A 24 LEU CG . 34170 1
266 . 1 1 24 24 LEU CD1 C 13 24.225 0.300 . 1 . . . . A 24 LEU CD1 . 34170 1
267 . 1 1 24 24 LEU N N 15 117.718 0.300 . 1 . . . . A 24 LEU N . 34170 1
268 . 1 1 25 25 ALA H H 1 9.016 0.020 . 1 . . . . A 25 ALA H . 34170 1
269 . 1 1 25 25 ALA HA H 1 4.730 0.020 . 1 . . . . A 25 ALA HA . 34170 1
270 . 1 1 25 25 ALA HB1 H 1 1.326 0.020 . 1 . . . . A 25 ALA HB1 . 34170 1
271 . 1 1 25 25 ALA HB2 H 1 1.326 0.020 . 1 . . . . A 25 ALA HB2 . 34170 1
272 . 1 1 25 25 ALA HB3 H 1 1.326 0.020 . 1 . . . . A 25 ALA HB3 . 34170 1
273 . 1 1 25 25 ALA C C 13 175.988 0.300 . 1 . . . . A 25 ALA C . 34170 1
274 . 1 1 25 25 ALA CA C 13 50.256 0.300 . 1 . . . . A 25 ALA CA . 34170 1
275 . 1 1 25 25 ALA CB C 13 23.449 0.300 . 1 . . . . A 25 ALA CB . 34170 1
276 . 1 1 25 25 ALA N N 15 125.536 0.300 . 1 . . . . A 25 ALA N . 34170 1
277 . 1 1 26 26 LYS H H 1 8.794 0.020 . 1 . . . . A 26 LYS H . 34170 1
278 . 1 1 26 26 LYS HA H 1 4.278 0.020 . 1 . . . . A 26 LYS HA . 34170 1
279 . 1 1 26 26 LYS HB2 H 1 1.703 0.020 . 2 . . . . A 26 LYS HB2 . 34170 1
280 . 1 1 26 26 LYS HB3 H 1 1.914 0.020 . 2 . . . . A 26 LYS HB3 . 34170 1
281 . 1 1 26 26 LYS HD2 H 1 1.709 0.020 . 1 . . . . A 26 LYS HD2 . 34170 1
282 . 1 1 26 26 LYS HD3 H 1 1.709 0.020 . 1 . . . . A 26 LYS HD3 . 34170 1
283 . 1 1 26 26 LYS HE2 H 1 2.901 0.020 . 1 . . . . A 26 LYS HE2 . 34170 1
284 . 1 1 26 26 LYS HE3 H 1 2.901 0.020 . 1 . . . . A 26 LYS HE3 . 34170 1
285 . 1 1 26 26 LYS C C 13 177.117 0.300 . 1 . . . . A 26 LYS C . 34170 1
286 . 1 1 26 26 LYS CA C 13 57.059 0.300 . 1 . . . . A 26 LYS CA . 34170 1
287 . 1 1 26 26 LYS CB C 13 32.489 0.300 . 1 . . . . A 26 LYS CB . 34170 1
288 . 1 1 26 26 LYS CG C 13 24.701 0.300 . 1 . . . . A 26 LYS CG . 34170 1
289 . 1 1 26 26 LYS CD C 13 28.831 0.300 . 1 . . . . A 26 LYS CD . 34170 1
290 . 1 1 26 26 LYS CE C 13 41.876 0.300 . 1 . . . . A 26 LYS CE . 34170 1
291 . 1 1 26 26 LYS N N 15 122.397 0.300 . 1 . . . . A 26 LYS N . 34170 1
292 . 1 1 27 27 CYS H H 1 8.668 0.020 . 1 . . . . A 27 CYS H . 34170 1
293 . 1 1 27 27 CYS HA H 1 4.555 0.020 . 1 . . . . A 27 CYS HA . 34170 1
294 . 1 1 27 27 CYS HB2 H 1 2.814 0.020 . 2 . . . . A 27 CYS HB2 . 34170 1
295 . 1 1 27 27 CYS HB3 H 1 2.981 0.020 . 2 . . . . A 27 CYS HB3 . 34170 1
296 . 1 1 27 27 CYS C C 13 171.697 0.300 . 1 . . . . A 27 CYS C . 34170 1
297 . 1 1 27 27 CYS CA C 13 55.178 0.300 . 1 . . . . A 27 CYS CA . 34170 1
298 . 1 1 27 27 CYS CB C 13 39.052 0.300 . 1 . . . . A 27 CYS CB . 34170 1
299 . 1 1 27 27 CYS N N 15 120.973 0.300 . 1 . . . . A 27 CYS N . 34170 1
300 . 1 1 28 28 PRO HA H 1 4.451 0.020 . 1 . . . . A 28 PRO HA . 34170 1
301 . 1 1 28 28 PRO HB2 H 1 2.334 0.020 . 2 . . . . A 28 PRO HB2 . 34170 1
302 . 1 1 28 28 PRO HB3 H 1 1.954 0.020 . 2 . . . . A 28 PRO HB3 . 34170 1
303 . 1 1 28 28 PRO HG2 H 1 2.285 0.020 . 2 . . . . A 28 PRO HG2 . 34170 1
304 . 1 1 28 28 PRO HG3 H 1 2.030 0.020 . 2 . . . . A 28 PRO HG3 . 34170 1
305 . 1 1 28 28 PRO HD2 H 1 3.700 0.020 . 2 . . . . A 28 PRO HD2 . 34170 1
306 . 1 1 28 28 PRO HD3 H 1 3.476 0.020 . 2 . . . . A 28 PRO HD3 . 34170 1
307 . 1 1 28 28 PRO C C 13 175.669 0.300 . 1 . . . . A 28 PRO C . 34170 1
308 . 1 1 28 28 PRO CA C 13 63.449 0.300 . 1 . . . . A 28 PRO CA . 34170 1
309 . 1 1 28 28 PRO CB C 13 31.368 0.300 . 1 . . . . A 28 PRO CB . 34170 1
310 . 1 1 28 28 PRO CG C 13 28.927 0.300 . 1 . . . . A 28 PRO CG . 34170 1
311 . 1 1 28 28 PRO CD C 13 50.249 0.300 . 1 . . . . A 28 PRO CD . 34170 1
312 . 1 1 29 29 SER H H 1 8.281 0.020 . 1 . . . . A 29 SER H . 34170 1
313 . 1 1 29 29 SER HA H 1 4.222 0.020 . 1 . . . . A 29 SER HA . 34170 1
314 . 1 1 29 29 SER HB2 H 1 3.900 0.020 . 2 . . . . A 29 SER HB2 . 34170 1
315 . 1 1 29 29 SER HB3 H 1 3.795 0.020 . 2 . . . . A 29 SER HB3 . 34170 1
316 . 1 1 29 29 SER C C 13 174.708 0.300 . 1 . . . . A 29 SER C . 34170 1
317 . 1 1 29 29 SER CA C 13 58.395 0.300 . 1 . . . . A 29 SER CA . 34170 1
318 . 1 1 29 29 SER CB C 13 64.472 0.300 . 1 . . . . A 29 SER CB . 34170 1
319 . 1 1 29 29 SER N N 15 112.615 0.300 . 1 . . . . A 29 SER N . 34170 1
320 . 1 1 30 30 ALA H H 1 6.999 0.020 . 1 . . . . A 30 ALA H . 34170 1
321 . 1 1 30 30 ALA HA H 1 4.252 0.020 . 1 . . . . A 30 ALA HA . 34170 1
322 . 1 1 30 30 ALA HB1 H 1 1.457 0.020 . 1 . . . . A 30 ALA HB1 . 34170 1
323 . 1 1 30 30 ALA HB2 H 1 1.457 0.020 . 1 . . . . A 30 ALA HB2 . 34170 1
324 . 1 1 30 30 ALA HB3 H 1 1.457 0.020 . 1 . . . . A 30 ALA HB3 . 34170 1
325 . 1 1 30 30 ALA C C 13 177.638 0.300 . 1 . . . . A 30 ALA C . 34170 1
326 . 1 1 30 30 ALA CA C 13 52.108 0.300 . 1 . . . . A 30 ALA CA . 34170 1
327 . 1 1 30 30 ALA CB C 13 19.079 0.300 . 1 . . . . A 30 ALA CB . 34170 1
328 . 1 1 30 30 ALA N N 15 124.104 0.300 . 1 . . . . A 30 ALA N . 34170 1
329 . 1 1 31 31 ALA H H 1 8.619 0.020 . 1 . . . . A 31 ALA H . 34170 1
330 . 1 1 31 31 ALA HA H 1 3.863 0.020 . 1 . . . . A 31 ALA HA . 34170 1
331 . 1 1 31 31 ALA HB1 H 1 1.355 0.020 . 1 . . . . A 31 ALA HB1 . 34170 1
332 . 1 1 31 31 ALA HB2 H 1 1.355 0.020 . 1 . . . . A 31 ALA HB2 . 34170 1
333 . 1 1 31 31 ALA HB3 H 1 1.355 0.020 . 1 . . . . A 31 ALA HB3 . 34170 1
334 . 1 1 31 31 ALA C C 13 178.362 0.300 . 1 . . . . A 31 ALA C . 34170 1
335 . 1 1 31 31 ALA CA C 13 54.995 0.300 . 1 . . . . A 31 ALA CA . 34170 1
336 . 1 1 31 31 ALA CB C 13 18.305 0.300 . 1 . . . . A 31 ALA CB . 34170 1
337 . 1 1 31 31 ALA N N 15 122.864 0.300 . 1 . . . . A 31 ALA N . 34170 1
338 . 1 1 32 32 ASN H H 1 8.470 0.020 . 1 . . . . A 32 ASN H . 34170 1
339 . 1 1 32 32 ASN HA H 1 4.528 0.020 . 1 . . . . A 32 ASN HA . 34170 1
340 . 1 1 32 32 ASN HB2 H 1 2.894 0.020 . 2 . . . . A 32 ASN HB2 . 34170 1
341 . 1 1 32 32 ASN HB3 H 1 2.697 0.020 . 2 . . . . A 32 ASN HB3 . 34170 1
342 . 1 1 32 32 ASN HD21 H 1 7.535 0.020 . 1 . . . . A 32 ASN HD21 . 34170 1
343 . 1 1 32 32 ASN HD22 H 1 6.808 0.020 . 1 . . . . A 32 ASN HD22 . 34170 1
344 . 1 1 32 32 ASN C C 13 175.335 0.300 . 1 . . . . A 32 ASN C . 34170 1
345 . 1 1 32 32 ASN CA C 13 53.751 0.300 . 1 . . . . A 32 ASN CA . 34170 1
346 . 1 1 32 32 ASN CB C 13 37.606 0.300 . 1 . . . . A 32 ASN CB . 34170 1
347 . 1 1 32 32 ASN N N 15 110.399 0.300 . 1 . . . . A 32 ASN N . 34170 1
348 . 1 1 32 32 ASN ND2 N 15 112.784 0.300 . 1 . . . . A 32 ASN ND2 . 34170 1
349 . 1 1 33 33 THR H H 1 7.493 0.020 . 1 . . . . A 33 THR H . 34170 1
350 . 1 1 33 33 THR HA H 1 4.450 0.020 . 1 . . . . A 33 THR HA . 34170 1
351 . 1 1 33 33 THR HB H 1 4.202 0.020 . 1 . . . . A 33 THR HB . 34170 1
352 . 1 1 33 33 THR HG1 H 1 5.116 0.020 . 1 . . . . A 33 THR HG1 . 34170 1
353 . 1 1 33 33 THR HG21 H 1 0.827 0.020 . 1 . . . . A 33 THR HG21 . 34170 1
354 . 1 1 33 33 THR HG22 H 1 0.827 0.020 . 1 . . . . A 33 THR HG22 . 34170 1
355 . 1 1 33 33 THR HG23 H 1 0.827 0.020 . 1 . . . . A 33 THR HG23 . 34170 1
356 . 1 1 33 33 THR C C 13 173.675 0.300 . 1 . . . . A 33 THR C . 34170 1
357 . 1 1 33 33 THR CA C 13 60.936 0.300 . 1 . . . . A 33 THR CA . 34170 1
358 . 1 1 33 33 THR CB C 13 69.777 0.300 . 1 . . . . A 33 THR CB . 34170 1
359 . 1 1 33 33 THR CG2 C 13 22.315 0.300 . 1 . . . . A 33 THR CG2 . 34170 1
360 . 1 1 33 33 THR N N 15 107.268 0.300 . 1 . . . . A 33 THR N . 34170 1
361 . 1 1 34 34 LYS H H 1 7.116 0.020 . 1 . . . . A 34 LYS H . 34170 1
362 . 1 1 34 34 LYS HA H 1 4.578 0.020 . 1 . . . . A 34 LYS HA . 34170 1
363 . 1 1 34 34 LYS HB2 H 1 1.827 0.020 . 1 . . . . A 34 LYS HB2 . 34170 1
364 . 1 1 34 34 LYS HB3 H 1 1.827 0.020 . 1 . . . . A 34 LYS HB3 . 34170 1
365 . 1 1 34 34 LYS HG2 H 1 1.364 0.020 . 2 . . . . A 34 LYS HG2 . 34170 1
366 . 1 1 34 34 LYS HG3 H 1 0.906 0.020 . 2 . . . . A 34 LYS HG3 . 34170 1
367 . 1 1 34 34 LYS C C 13 174.928 0.300 . 1 . . . . A 34 LYS C . 34170 1
368 . 1 1 34 34 LYS CA C 13 55.038 0.300 . 1 . . . . A 34 LYS CA . 34170 1
369 . 1 1 34 34 LYS CB C 13 32.951 0.300 . 1 . . . . A 34 LYS CB . 34170 1
370 . 1 1 34 34 LYS CG C 13 22.799 0.300 . 1 . . . . A 34 LYS CG . 34170 1
371 . 1 1 34 34 LYS CD C 13 29.300 0.300 . 1 . . . . A 34 LYS CD . 34170 1
372 . 1 1 34 34 LYS CE C 13 41.961 0.300 . 1 . . . . A 34 LYS CE . 34170 1
373 . 1 1 34 34 LYS N N 15 119.063 0.300 . 1 . . . . A 34 LYS N . 34170 1
374 . 1 1 35 35 CYS H H 1 8.179 0.020 . 1 . . . . A 35 CYS H . 34170 1
375 . 1 1 35 35 CYS HA H 1 4.360 0.020 . 1 . . . . A 35 CYS HA . 34170 1
376 . 1 1 35 35 CYS HB2 H 1 2.885 0.020 . 2 . . . . A 35 CYS HB2 . 34170 1
377 . 1 1 35 35 CYS HB3 H 1 3.254 0.020 . 2 . . . . A 35 CYS HB3 . 34170 1
378 . 1 1 35 35 CYS C C 13 176.052 0.300 . 1 . . . . A 35 CYS C . 34170 1
379 . 1 1 35 35 CYS CA C 13 57.052 0.300 . 1 . . . . A 35 CYS CA . 34170 1
380 . 1 1 35 35 CYS CB C 13 39.919 0.300 . 1 . . . . A 35 CYS CB . 34170 1
381 . 1 1 35 35 CYS N N 15 115.872 0.300 . 1 . . . . A 35 CYS N . 34170 1
382 . 1 1 36 36 GLU H H 1 9.557 0.020 . 1 . . . . A 36 GLU H . 34170 1
383 . 1 1 36 36 GLU HA H 1 4.116 0.020 . 1 . . . . A 36 GLU HA . 34170 1
384 . 1 1 36 36 GLU HB2 H 1 1.939 0.020 . 1 . . . . A 36 GLU HB2 . 34170 1
385 . 1 1 36 36 GLU HB3 H 1 1.939 0.020 . 1 . . . . A 36 GLU HB3 . 34170 1
386 . 1 1 36 36 GLU HG2 H 1 2.358 0.020 . 2 . . . . A 36 GLU HG2 . 34170 1
387 . 1 1 36 36 GLU HG3 H 1 2.195 0.020 . 2 . . . . A 36 GLU HG3 . 34170 1
388 . 1 1 36 36 GLU C C 13 175.718 0.300 . 1 . . . . A 36 GLU C . 34170 1
389 . 1 1 36 36 GLU CA C 13 57.836 0.300 . 1 . . . . A 36 GLU CA . 34170 1
390 . 1 1 36 36 GLU CB C 13 31.436 0.300 . 1 . . . . A 36 GLU CB . 34170 1
391 . 1 1 36 36 GLU CG C 13 36.458 0.300 . 1 . . . . A 36 GLU CG . 34170 1
392 . 1 1 36 36 GLU N N 15 130.469 0.300 . 1 . . . . A 36 GLU N . 34170 1
393 . 1 1 37 37 LYS H H 1 6.946 0.020 . 1 . . . . A 37 LYS H . 34170 1
394 . 1 1 37 37 LYS HA H 1 4.218 0.020 . 1 . . . . A 37 LYS HA . 34170 1
395 . 1 1 37 37 LYS HB2 H 1 1.574 0.020 . 1 . . . . A 37 LYS HB2 . 34170 1
396 . 1 1 37 37 LYS HB3 H 1 1.574 0.020 . 1 . . . . A 37 LYS HB3 . 34170 1
397 . 1 1 37 37 LYS HG2 H 1 1.349 0.020 . 1 . . . . A 37 LYS HG2 . 34170 1
398 . 1 1 37 37 LYS HG3 H 1 1.349 0.020 . 1 . . . . A 37 LYS HG3 . 34170 1
399 . 1 1 37 37 LYS HD2 H 1 1.638 0.020 . 1 . . . . A 37 LYS HD2 . 34170 1
400 . 1 1 37 37 LYS HD3 H 1 1.638 0.020 . 1 . . . . A 37 LYS HD3 . 34170 1
401 . 1 1 37 37 LYS C C 13 173.101 0.300 . 1 . . . . A 37 LYS C . 34170 1
402 . 1 1 37 37 LYS CA C 13 55.249 0.300 . 1 . . . . A 37 LYS CA . 34170 1
403 . 1 1 37 37 LYS CB C 13 35.483 0.300 . 1 . . . . A 37 LYS CB . 34170 1
404 . 1 1 37 37 LYS CG C 13 24.526 0.300 . 1 . . . . A 37 LYS CG . 34170 1
405 . 1 1 37 37 LYS CD C 13 29.294 0.300 . 1 . . . . A 37 LYS CD . 34170 1
406 . 1 1 37 37 LYS CE C 13 42.099 0.300 . 1 . . . . A 37 LYS CE . 34170 1
407 . 1 1 37 37 LYS N N 15 117.809 0.300 . 1 . . . . A 37 LYS N . 34170 1
408 . 1 1 38 38 ASP H H 1 8.599 0.020 . 1 . . . . A 38 ASP H . 34170 1
409 . 1 1 38 38 ASP HA H 1 4.616 0.020 . 1 . . . . A 38 ASP HA . 34170 1
410 . 1 1 38 38 ASP HB2 H 1 2.682 0.020 . 2 . . . . A 38 ASP HB2 . 34170 1
411 . 1 1 38 38 ASP HB3 H 1 2.574 0.020 . 2 . . . . A 38 ASP HB3 . 34170 1
412 . 1 1 38 38 ASP C C 13 177.977 0.300 . 1 . . . . A 38 ASP C . 34170 1
413 . 1 1 38 38 ASP CA C 13 55.501 0.300 . 1 . . . . A 38 ASP CA . 34170 1
414 . 1 1 38 38 ASP CB C 13 40.315 0.300 . 1 . . . . A 38 ASP CB . 34170 1
415 . 1 1 38 38 ASP N N 15 125.156 0.300 . 1 . . . . A 38 ASP N . 34170 1
416 . 1 1 39 39 GLY H H 1 8.954 0.020 . 1 . . . . A 39 GLY H . 34170 1
417 . 1 1 39 39 GLY HA2 H 1 4.222 0.020 . 2 . . . . A 39 GLY HA2 . 34170 1
418 . 1 1 39 39 GLY HA3 H 1 3.402 0.020 . 2 . . . . A 39 GLY HA3 . 34170 1
419 . 1 1 39 39 GLY C C 13 173.966 0.300 . 1 . . . . A 39 GLY C . 34170 1
420 . 1 1 39 39 GLY CA C 13 44.695 0.300 . 1 . . . . A 39 GLY CA . 34170 1
421 . 1 1 39 39 GLY N N 15 111.805 0.300 . 1 . . . . A 39 GLY N . 34170 1
422 . 1 1 40 40 ASN H H 1 7.729 0.020 . 1 . . . . A 40 ASN H . 34170 1
423 . 1 1 40 40 ASN HA H 1 4.499 0.020 . 1 . . . . A 40 ASN HA . 34170 1
424 . 1 1 40 40 ASN HB2 H 1 3.309 0.020 . 2 . . . . A 40 ASN HB2 . 34170 1
425 . 1 1 40 40 ASN HB3 H 1 3.253 0.020 . 2 . . . . A 40 ASN HB3 . 34170 1
426 . 1 1 40 40 ASN HD21 H 1 7.206 0.020 . 1 . . . . A 40 ASN HD21 . 34170 1
427 . 1 1 40 40 ASN HD22 H 1 7.929 0.020 . 1 . . . . A 40 ASN HD22 . 34170 1
428 . 1 1 40 40 ASN C C 13 174.259 0.300 . 1 . . . . A 40 ASN C . 34170 1
429 . 1 1 40 40 ASN CA C 13 52.405 0.300 . 1 . . . . A 40 ASN CA . 34170 1
430 . 1 1 40 40 ASN CB C 13 38.043 0.300 . 1 . . . . A 40 ASN CB . 34170 1
431 . 1 1 40 40 ASN N N 15 121.861 0.300 . 1 . . . . A 40 ASN N . 34170 1
432 . 1 1 40 40 ASN ND2 N 15 109.431 0.300 . 1 . . . . A 40 ASN ND2 . 34170 1
433 . 1 1 41 41 LYS H H 1 8.328 0.020 . 1 . . . . A 41 LYS H . 34170 1
434 . 1 1 41 41 LYS HA H 1 4.269 0.020 . 1 . . . . A 41 LYS HA . 34170 1
435 . 1 1 41 41 LYS HB2 H 1 1.709 0.020 . 1 . . . . A 41 LYS HB2 . 34170 1
436 . 1 1 41 41 LYS HB3 H 1 1.709 0.020 . 1 . . . . A 41 LYS HB3 . 34170 1
437 . 1 1 41 41 LYS HG2 H 1 0.779 0.020 . 1 . . . . A 41 LYS HG2 . 34170 1
438 . 1 1 41 41 LYS HG3 H 1 0.779 0.020 . 1 . . . . A 41 LYS HG3 . 34170 1
439 . 1 1 41 41 LYS HD2 H 1 1.291 0.020 . 2 . . . . A 41 LYS HD2 . 34170 1
440 . 1 1 41 41 LYS HD3 H 1 0.953 0.020 . 2 . . . . A 41 LYS HD3 . 34170 1
441 . 1 1 41 41 LYS HE2 H 1 2.990 0.020 . 1 . . . . A 41 LYS HE2 . 34170 1
442 . 1 1 41 41 LYS HE3 H 1 2.990 0.020 . 1 . . . . A 41 LYS HE3 . 34170 1
443 . 1 1 41 41 LYS C C 13 174.861 0.300 . 1 . . . . A 41 LYS C . 34170 1
444 . 1 1 41 41 LYS CA C 13 57.171 0.300 . 1 . . . . A 41 LYS CA . 34170 1
445 . 1 1 41 41 LYS CB C 13 32.909 0.300 . 1 . . . . A 41 LYS CB . 34170 1
446 . 1 1 41 41 LYS CG C 13 24.757 0.300 . 1 . . . . A 41 LYS CG . 34170 1
447 . 1 1 41 41 LYS CD C 13 29.433 0.300 . 1 . . . . A 41 LYS CD . 34170 1
448 . 1 1 41 41 LYS CE C 13 41.274 0.300 . 1 . . . . A 41 LYS CE . 34170 1
449 . 1 1 41 41 LYS N N 15 119.997 0.300 . 1 . . . . A 41 LYS N . 34170 1
450 . 1 1 42 42 CYS H H 1 7.855 0.020 . 1 . . . . A 42 CYS H . 34170 1
451 . 1 1 42 42 CYS HA H 1 5.667 0.020 . 1 . . . . A 42 CYS HA . 34170 1
452 . 1 1 42 42 CYS HB2 H 1 3.458 0.020 . 2 . . . . A 42 CYS HB2 . 34170 1
453 . 1 1 42 42 CYS HB3 H 1 3.381 0.020 . 2 . . . . A 42 CYS HB3 . 34170 1
454 . 1 1 42 42 CYS C C 13 172.151 0.300 . 1 . . . . A 42 CYS C . 34170 1
455 . 1 1 42 42 CYS CA C 13 54.215 0.300 . 1 . . . . A 42 CYS CA . 34170 1
456 . 1 1 42 42 CYS CB C 13 52.636 0.300 . 1 . . . . A 42 CYS CB . 34170 1
457 . 1 1 42 42 CYS N N 15 115.810 0.300 . 1 . . . . A 42 CYS N . 34170 1
458 . 1 1 43 43 THR H H 1 9.279 0.020 . 1 . . . . A 43 THR H . 34170 1
459 . 1 1 43 43 THR HA H 1 5.452 0.020 . 1 . . . . A 43 THR HA . 34170 1
460 . 1 1 43 43 THR HB H 1 4.012 0.020 . 1 . . . . A 43 THR HB . 34170 1
461 . 1 1 43 43 THR C C 13 172.221 0.300 . 1 . . . . A 43 THR C . 34170 1
462 . 1 1 43 43 THR CA C 13 58.949 0.300 . 1 . . . . A 43 THR CA . 34170 1
463 . 1 1 43 43 THR CB C 13 73.137 0.300 . 1 . . . . A 43 THR CB . 34170 1
464 . 1 1 43 43 THR CG2 C 13 22.250 0.300 . 1 . . . . A 43 THR CG2 . 34170 1
465 . 1 1 43 43 THR N N 15 110.247 0.300 . 1 . . . . A 43 THR N . 34170 1
466 . 1 1 44 44 TYR H H 1 8.541 0.020 . 1 . . . . A 44 TYR H . 34170 1
467 . 1 1 44 44 TYR HA H 1 4.870 0.020 . 1 . . . . A 44 TYR HA . 34170 1
468 . 1 1 44 44 TYR HB2 H 1 2.032 0.020 . 2 . . . . A 44 TYR HB2 . 34170 1
469 . 1 1 44 44 TYR HB3 H 1 1.694 0.020 . 2 . . . . A 44 TYR HB3 . 34170 1
470 . 1 1 44 44 TYR HD1 H 1 6.422 0.020 . 1 . . . . A 44 TYR HD1 . 34170 1
471 . 1 1 44 44 TYR HD2 H 1 6.422 0.020 . 1 . . . . A 44 TYR HD2 . 34170 1
472 . 1 1 44 44 TYR HE1 H 1 6.356 0.020 . 1 . . . . A 44 TYR HE1 . 34170 1
473 . 1 1 44 44 TYR HE2 H 1 6.356 0.020 . 1 . . . . A 44 TYR HE2 . 34170 1
474 . 1 1 44 44 TYR C C 13 173.043 0.300 . 1 . . . . A 44 TYR C . 34170 1
475 . 1 1 44 44 TYR CA C 13 55.982 0.300 . 1 . . . . A 44 TYR CA . 34170 1
476 . 1 1 44 44 TYR CB C 13 41.255 0.300 . 1 . . . . A 44 TYR CB . 34170 1
477 . 1 1 44 44 TYR N N 15 120.492 0.300 . 1 . . . . A 44 TYR N . 34170 1
478 . 1 1 45 45 ASP H H 1 7.753 0.020 . 1 . . . . A 45 ASP H . 34170 1
479 . 1 1 45 45 ASP HA H 1 4.878 0.020 . 1 . . . . A 45 ASP HA . 34170 1
480 . 1 1 45 45 ASP HB2 H 1 3.122 0.020 . 2 . . . . A 45 ASP HB2 . 34170 1
481 . 1 1 45 45 ASP HB3 H 1 2.329 0.020 . 2 . . . . A 45 ASP HB3 . 34170 1
482 . 1 1 45 45 ASP C C 13 176.296 0.300 . 1 . . . . A 45 ASP C . 34170 1
483 . 1 1 45 45 ASP CA C 13 51.467 0.300 . 1 . . . . A 45 ASP CA . 34170 1
484 . 1 1 45 45 ASP CB C 13 41.854 0.300 . 1 . . . . A 45 ASP CB . 34170 1
485 . 1 1 45 45 ASP N N 15 127.733 0.300 . 1 . . . . A 45 ASP N . 34170 1
486 . 1 1 46 46 SER H H 1 8.714 0.020 . 1 . . . . A 46 SER H . 34170 1
487 . 1 1 46 46 SER HA H 1 3.864 0.020 . 1 . . . . A 46 SER HA . 34170 1
488 . 1 1 46 46 SER HB2 H 1 4.326 0.020 . 2 . . . . A 46 SER HB2 . 34170 1
489 . 1 1 46 46 SER HB3 H 1 3.908 0.020 . 2 . . . . A 46 SER HB3 . 34170 1
490 . 1 1 46 46 SER C C 13 175.157 0.300 . 1 . . . . A 46 SER C . 34170 1
491 . 1 1 46 46 SER CA C 13 59.831 0.300 . 1 . . . . A 46 SER CA . 34170 1
492 . 1 1 46 46 SER CB C 13 63.765 0.300 . 1 . . . . A 46 SER CB . 34170 1
493 . 1 1 46 46 SER N N 15 118.804 0.300 . 1 . . . . A 46 SER N . 34170 1
494 . 1 1 47 47 TYR H H 1 8.680 0.020 . 1 . . . . A 47 TYR H . 34170 1
495 . 1 1 47 47 TYR HA H 1 4.440 0.020 . 1 . . . . A 47 TYR HA . 34170 1
496 . 1 1 47 47 TYR HB2 H 1 3.020 0.020 . 2 . . . . A 47 TYR HB2 . 34170 1
497 . 1 1 47 47 TYR HB3 H 1 2.949 0.020 . 2 . . . . A 47 TYR HB3 . 34170 1
498 . 1 1 47 47 TYR HD1 H 1 7.020 0.020 . 1 . . . . A 47 TYR HD1 . 34170 1
499 . 1 1 47 47 TYR HD2 H 1 7.020 0.020 . 1 . . . . A 47 TYR HD2 . 34170 1
500 . 1 1 47 47 TYR HE1 H 1 7.340 0.020 . 1 . . . . A 47 TYR HE1 . 34170 1
501 . 1 1 47 47 TYR HE2 H 1 7.340 0.020 . 1 . . . . A 47 TYR HE2 . 34170 1
502 . 1 1 47 47 TYR C C 13 176.365 0.300 . 1 . . . . A 47 TYR C . 34170 1
503 . 1 1 47 47 TYR CA C 13 59.749 0.300 . 1 . . . . A 47 TYR CA . 34170 1
504 . 1 1 47 47 TYR CB C 13 38.538 0.300 . 1 . . . . A 47 TYR CB . 34170 1
505 . 1 1 47 47 TYR N N 15 123.360 0.300 . 1 . . . . A 47 TYR N . 34170 1
506 . 1 1 48 48 ASN H H 1 7.374 0.020 . 1 . . . . A 48 ASN H . 34170 1
507 . 1 1 48 48 ASN HA H 1 4.437 0.020 . 1 . . . . A 48 ASN HA . 34170 1
508 . 1 1 48 48 ASN HB2 H 1 2.716 0.020 . 2 . . . . A 48 ASN HB2 . 34170 1
509 . 1 1 48 48 ASN HB3 H 1 2.513 0.020 . 2 . . . . A 48 ASN HB3 . 34170 1
510 . 1 1 48 48 ASN HD21 H 1 7.695 0.020 . 1 . . . . A 48 ASN HD21 . 34170 1
511 . 1 1 48 48 ASN HD22 H 1 6.807 0.020 . 1 . . . . A 48 ASN HD22 . 34170 1
512 . 1 1 48 48 ASN C C 13 174.944 0.300 . 1 . . . . A 48 ASN C . 34170 1
513 . 1 1 48 48 ASN CA C 13 51.769 0.300 . 1 . . . . A 48 ASN CA . 34170 1
514 . 1 1 48 48 ASN CB C 13 38.667 0.300 . 1 . . . . A 48 ASN CB . 34170 1
515 . 1 1 48 48 ASN N N 15 113.922 0.300 . 1 . . . . A 48 ASN N . 34170 1
516 . 1 1 48 48 ASN ND2 N 15 111.045 0.300 . 1 . . . . A 48 ASN ND2 . 34170 1
517 . 1 1 49 49 ARG H H 1 7.964 0.020 . 1 . . . . A 49 ARG H . 34170 1
518 . 1 1 49 49 ARG HA H 1 3.619 0.020 . 1 . . . . A 49 ARG HA . 34170 1
519 . 1 1 49 49 ARG HB2 H 1 2.042 0.020 . 2 . . . . A 49 ARG HB2 . 34170 1
520 . 1 1 49 49 ARG HB3 H 1 1.956 0.020 . 2 . . . . A 49 ARG HB3 . 34170 1
521 . 1 1 49 49 ARG HG2 H 1 1.506 0.020 . 2 . . . . A 49 ARG HG2 . 34170 1
522 . 1 1 49 49 ARG HG3 H 1 1.377 0.020 . 2 . . . . A 49 ARG HG3 . 34170 1
523 . 1 1 49 49 ARG HD2 H 1 3.140 0.020 . 1 . . . . A 49 ARG HD2 . 34170 1
524 . 1 1 49 49 ARG HD3 H 1 3.140 0.020 . 1 . . . . A 49 ARG HD3 . 34170 1
525 . 1 1 49 49 ARG C C 13 174.819 0.300 . 1 . . . . A 49 ARG C . 34170 1
526 . 1 1 49 49 ARG CA C 13 57.055 0.300 . 1 . . . . A 49 ARG CA . 34170 1
527 . 1 1 49 49 ARG CB C 13 26.404 0.300 . 1 . . . . A 49 ARG CB . 34170 1
528 . 1 1 49 49 ARG CG C 13 27.494 0.300 . 1 . . . . A 49 ARG CG . 34170 1
529 . 1 1 49 49 ARG CD C 13 43.582 0.300 . 1 . . . . A 49 ARG CD . 34170 1
530 . 1 1 49 49 ARG N N 15 115.701 0.300 . 1 . . . . A 49 ARG N . 34170 1
531 . 1 1 50 50 LYS H H 1 7.481 0.020 . 1 . . . . A 50 LYS H . 34170 1
532 . 1 1 50 50 LYS HA H 1 4.326 0.020 . 1 . . . . A 50 LYS HA . 34170 1
533 . 1 1 50 50 LYS HB2 H 1 1.561 0.020 . 1 . . . . A 50 LYS HB2 . 34170 1
534 . 1 1 50 50 LYS HB3 H 1 1.561 0.020 . 1 . . . . A 50 LYS HB3 . 34170 1
535 . 1 1 50 50 LYS HG2 H 1 1.206 0.020 . 1 . . . . A 50 LYS HG2 . 34170 1
536 . 1 1 50 50 LYS HG3 H 1 1.206 0.020 . 1 . . . . A 50 LYS HG3 . 34170 1
537 . 1 1 50 50 LYS HE2 H 1 2.882 0.020 . 1 . . . . A 50 LYS HE2 . 34170 1
538 . 1 1 50 50 LYS HE3 H 1 2.882 0.020 . 1 . . . . A 50 LYS HE3 . 34170 1
539 . 1 1 50 50 LYS C C 13 175.769 0.300 . 1 . . . . A 50 LYS C . 34170 1
540 . 1 1 50 50 LYS CA C 13 56.062 0.300 . 1 . . . . A 50 LYS CA . 34170 1
541 . 1 1 50 50 LYS CB C 13 34.380 0.300 . 1 . . . . A 50 LYS CB . 34170 1
542 . 1 1 50 50 LYS CG C 13 25.035 0.300 . 1 . . . . A 50 LYS CG . 34170 1
543 . 1 1 50 50 LYS CD C 13 29.135 0.300 . 1 . . . . A 50 LYS CD . 34170 1
544 . 1 1 50 50 LYS CE C 13 42.063 0.300 . 1 . . . . A 50 LYS CE . 34170 1
545 . 1 1 50 50 LYS N N 15 118.409 0.300 . 1 . . . . A 50 LYS N . 34170 1
546 . 1 1 51 51 VAL H H 1 8.565 0.020 . 1 . . . . A 51 VAL H . 34170 1
547 . 1 1 51 51 VAL HA H 1 5.020 0.020 . 1 . . . . A 51 VAL HA . 34170 1
548 . 1 1 51 51 VAL HB H 1 1.995 0.020 . 1 . . . . A 51 VAL HB . 34170 1
549 . 1 1 51 51 VAL HG11 H 1 1.057 0.020 . 2 . . . . A 51 VAL HG11 . 34170 1
550 . 1 1 51 51 VAL HG12 H 1 1.057 0.020 . 2 . . . . A 51 VAL HG12 . 34170 1
551 . 1 1 51 51 VAL HG13 H 1 1.057 0.020 . 2 . . . . A 51 VAL HG13 . 34170 1
552 . 1 1 51 51 VAL HG21 H 1 1.026 0.020 . 2 . . . . A 51 VAL HG21 . 34170 1
553 . 1 1 51 51 VAL HG22 H 1 1.026 0.020 . 2 . . . . A 51 VAL HG22 . 34170 1
554 . 1 1 51 51 VAL HG23 H 1 1.026 0.020 . 2 . . . . A 51 VAL HG23 . 34170 1
555 . 1 1 51 51 VAL C C 13 174.535 0.300 . 1 . . . . A 51 VAL C . 34170 1
556 . 1 1 51 51 VAL CA C 13 60.012 0.300 . 1 . . . . A 51 VAL CA . 34170 1
557 . 1 1 51 51 VAL CB C 13 34.468 0.300 . 1 . . . . A 51 VAL CB . 34170 1
558 . 1 1 51 51 VAL CG1 C 13 23.245 0.300 . 1 . . . . A 51 VAL CG1 . 34170 1
559 . 1 1 51 51 VAL CG2 C 13 22.172 0.300 . 1 . . . . A 51 VAL CG2 . 34170 1
560 . 1 1 51 51 VAL N N 15 127.022 0.300 . 1 . . . . A 51 VAL N . 34170 1
561 . 1 1 52 52 LYS H H 1 8.782 0.020 . 1 . . . . A 52 LYS H . 34170 1
562 . 1 1 52 52 LYS HA H 1 4.548 0.020 . 1 . . . . A 52 LYS HA . 34170 1
563 . 1 1 52 52 LYS HB2 H 1 1.854 0.020 . 2 . . . . A 52 LYS HB2 . 34170 1
564 . 1 1 52 52 LYS HB3 H 1 1.404 0.020 . 2 . . . . A 52 LYS HB3 . 34170 1
565 . 1 1 52 52 LYS HG2 H 1 1.266 0.020 . 2 . . . . A 52 LYS HG2 . 34170 1
566 . 1 1 52 52 LYS HG3 H 1 0.516 0.020 . 2 . . . . A 52 LYS HG3 . 34170 1
567 . 1 1 52 52 LYS HE2 H 1 2.984 0.020 . 1 . . . . A 52 LYS HE2 . 34170 1
568 . 1 1 52 52 LYS HE3 H 1 2.984 0.020 . 1 . . . . A 52 LYS HE3 . 34170 1
569 . 1 1 52 52 LYS C C 13 175.830 0.300 . 1 . . . . A 52 LYS C . 34170 1
570 . 1 1 52 52 LYS CA C 13 55.656 0.300 . 1 . . . . A 52 LYS CA . 34170 1
571 . 1 1 52 52 LYS CB C 13 35.356 0.300 . 1 . . . . A 52 LYS CB . 34170 1
572 . 1 1 52 52 LYS CG C 13 24.483 0.300 . 1 . . . . A 52 LYS CG . 34170 1
573 . 1 1 52 52 LYS CD C 13 29.290 0.300 . 1 . . . . A 52 LYS CD . 34170 1
574 . 1 1 52 52 LYS CE C 13 42.009 0.300 . 1 . . . . A 52 LYS CE . 34170 1
575 . 1 1 52 52 LYS N N 15 127.738 0.300 . 1 . . . . A 52 LYS N . 34170 1
576 . 1 1 53 53 CYS H H 1 10.012 0.020 . 1 . . . . A 53 CYS H . 34170 1
577 . 1 1 53 53 CYS HA H 1 5.061 0.020 . 1 . . . . A 53 CYS HA . 34170 1
578 . 1 1 53 53 CYS HB2 H 1 3.469 0.020 . 2 . . . . A 53 CYS HB2 . 34170 1
579 . 1 1 53 53 CYS HB3 H 1 3.269 0.020 . 2 . . . . A 53 CYS HB3 . 34170 1
580 . 1 1 53 53 CYS C C 13 170.863 0.300 . 1 . . . . A 53 CYS C . 34170 1
581 . 1 1 53 53 CYS CA C 13 53.384 0.300 . 1 . . . . A 53 CYS CA . 34170 1
582 . 1 1 53 53 CYS CB C 13 43.854 0.300 . 1 . . . . A 53 CYS CB . 34170 1
583 . 1 1 53 53 CYS N N 15 121.930 0.300 . 1 . . . . A 53 CYS N . 34170 1
584 . 1 1 54 54 ASP H H 1 7.676 0.020 . 1 . . . . A 54 ASP H . 34170 1
585 . 1 1 54 54 ASP HA H 1 4.724 0.020 . 1 . . . . A 54 ASP HA . 34170 1
586 . 1 1 54 54 ASP HB2 H 1 2.567 0.020 . 2 . . . . A 54 ASP HB2 . 34170 1
587 . 1 1 54 54 ASP HB3 H 1 2.332 0.020 . 2 . . . . A 54 ASP HB3 . 34170 1
588 . 1 1 54 54 ASP C C 13 174.587 0.300 . 1 . . . . A 54 ASP C . 34170 1
589 . 1 1 54 54 ASP CA C 13 53.659 0.300 . 1 . . . . A 54 ASP CA . 34170 1
590 . 1 1 54 54 ASP CB C 13 42.635 0.300 . 1 . . . . A 54 ASP CB . 34170 1
591 . 1 1 54 54 ASP N N 15 119.570 0.300 . 1 . . . . A 54 ASP N . 34170 1
592 . 1 1 55 55 PHE H H 1 8.524 0.020 . 1 . . . . A 55 PHE H . 34170 1
593 . 1 1 55 55 PHE HA H 1 4.346 0.020 . 1 . . . . A 55 PHE HA . 34170 1
594 . 1 1 55 55 PHE HB2 H 1 3.200 0.020 . 2 . . . . A 55 PHE HB2 . 34170 1
595 . 1 1 55 55 PHE HB3 H 1 2.713 0.020 . 2 . . . . A 55 PHE HB3 . 34170 1
596 . 1 1 55 55 PHE HD1 H 1 7.213 0.020 . 1 . . . . A 55 PHE HD1 . 34170 1
597 . 1 1 55 55 PHE HD2 H 1 7.213 0.020 . 1 . . . . A 55 PHE HD2 . 34170 1
598 . 1 1 55 55 PHE C C 13 175.910 0.300 . 1 . . . . A 55 PHE C . 34170 1
599 . 1 1 55 55 PHE CA C 13 58.396 0.300 . 1 . . . . A 55 PHE CA . 34170 1
600 . 1 1 55 55 PHE CB C 13 39.450 0.300 . 1 . . . . A 55 PHE CB . 34170 1
601 . 1 1 55 55 PHE N N 15 121.511 0.300 . 1 . . . . A 55 PHE N . 34170 1
602 . 1 1 56 56 ARG H H 1 8.403 0.020 . 1 . . . . A 56 ARG H . 34170 1
603 . 1 1 56 56 ARG HA H 1 4.292 0.020 . 1 . . . . A 56 ARG HA . 34170 1
604 . 1 1 56 56 ARG HB2 H 1 1.756 0.020 . 1 . . . . A 56 ARG HB2 . 34170 1
605 . 1 1 56 56 ARG HB3 H 1 1.756 0.020 . 1 . . . . A 56 ARG HB3 . 34170 1
606 . 1 1 56 56 ARG HG2 H 1 1.528 0.020 . 1 . . . . A 56 ARG HG2 . 34170 1
607 . 1 1 56 56 ARG HG3 H 1 1.528 0.020 . 1 . . . . A 56 ARG HG3 . 34170 1
608 . 1 1 56 56 ARG HD2 H 1 3.133 0.020 . 1 . . . . A 56 ARG HD2 . 34170 1
609 . 1 1 56 56 ARG HD3 H 1 3.133 0.020 . 1 . . . . A 56 ARG HD3 . 34170 1
610 . 1 1 56 56 ARG C C 13 175.488 0.300 . 1 . . . . A 56 ARG C . 34170 1
611 . 1 1 56 56 ARG CA C 13 56.427 0.300 . 1 . . . . A 56 ARG CA . 34170 1
612 . 1 1 56 56 ARG CB C 13 30.832 0.300 . 1 . . . . A 56 ARG CB . 34170 1
613 . 1 1 56 56 ARG CG C 13 27.050 0.300 . 1 . . . . A 56 ARG CG . 34170 1
614 . 1 1 56 56 ARG CD C 13 43.176 0.300 . 1 . . . . A 56 ARG CD . 34170 1
615 . 1 1 56 56 ARG N N 15 121.041 0.300 . 1 . . . . A 56 ARG N . 34170 1
616 . 1 1 57 57 HIS H H 1 8.076 0.020 . 1 . . . . A 57 HIS H . 34170 1
617 . 1 1 57 57 HIS HA H 1 4.394 0.020 . 1 . . . . A 57 HIS HA . 34170 1
618 . 1 1 57 57 HIS HB2 H 1 3.194 0.020 . 2 . . . . A 57 HIS HB2 . 34170 1
619 . 1 1 57 57 HIS HB3 H 1 3.025 0.020 . 2 . . . . A 57 HIS HB3 . 34170 1
620 . 1 1 57 57 HIS HD2 H 1 7.117 0.020 . 1 . . . . A 57 HIS HD2 . 34170 1
621 . 1 1 57 57 HIS C C 13 179.033 0.300 . 1 . . . . A 57 HIS C . 34170 1
622 . 1 1 57 57 HIS CA C 13 57.255 0.300 . 1 . . . . A 57 HIS CA . 34170 1
623 . 1 1 57 57 HIS CB C 13 30.210 0.300 . 1 . . . . A 57 HIS CB . 34170 1
624 . 1 1 57 57 HIS N N 15 123.766 0.300 . 1 . . . . A 57 HIS N . 34170 1
stop_
save_