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 36009
_Assigned_chem_shift_list.ID 1
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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' 1 $sample_1 isotropic 36009 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36009 1
3 '2D 1H-15N HSQC' 1 $sample_1 isotropic 36009 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 36009 1
3 $software_3 . . 36009 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.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 1 1 MET HA H 1 4.116 0.01 . 1 . . . X 1 MET HA . 36009 1
2 . 1 1 1 1 MET HB2 H 1 2.164 0.002 . 2 . . . X 1 MET HB2 . 36009 1
3 . 1 1 1 1 MET HB3 H 1 2.164 0.002 . 2 . . . X 1 MET HB3 . 36009 1
4 . 1 1 1 1 MET HG2 H 1 2.633 0.01 . 2 . . . X 1 MET HG2 . 36009 1
5 . 1 1 1 1 MET HG3 H 1 2.633 0.01 . 2 . . . X 1 MET HG3 . 36009 1
6 . 1 1 2 2 ALA H H 1 8.495 0.003 . 1 . . . X 2 ALA H . 36009 1
7 . 1 1 2 2 ALA HA H 1 4.646 0.01 . 1 . . . X 2 ALA HA . 36009 1
8 . 1 1 2 2 ALA HB1 H 1 1.375 0.01 . 1 . . . X 2 ALA HB1 . 36009 1
9 . 1 1 2 2 ALA HB2 H 1 1.375 0.01 . 1 . . . X 2 ALA HB2 . 36009 1
10 . 1 1 2 2 ALA HB3 H 1 1.375 0.01 . 1 . . . X 2 ALA HB3 . 36009 1
11 . 1 1 2 2 ALA N N 15 127.124 0.1 . 1 . . . X 2 ALA N . 36009 1
12 . 1 1 3 3 PRO HA H 1 4.445 0.001 . 1 . . . X 3 PRO HA . 36009 1
13 . 1 1 3 3 PRO HB3 H 1 2.308 0.01 . 1 . . . X 3 PRO HB3 . 36009 1
14 . 1 1 3 3 PRO HG2 H 1 1.957 0.01 . 2 . . . X 3 PRO HG2 . 36009 1
15 . 1 1 3 3 PRO HG3 H 1 1.957 0.01 . 2 . . . X 3 PRO HG3 . 36009 1
16 . 1 1 3 3 PRO HD2 H 1 3.563 0.01 . 1 . . . X 3 PRO HD2 . 36009 1
17 . 1 1 3 3 PRO HD3 H 1 3.783 0.01 . 1 . . . X 3 PRO HD3 . 36009 1
18 . 1 1 4 4 ARG H H 1 8.303 0.002 . 1 . . . X 4 ARG H . 36009 1
19 . 1 1 4 4 ARG HA H 1 4.298 0.003 . 1 . . . X 4 ARG HA . 36009 1
20 . 1 1 4 4 ARG HB2 H 1 1.843 0.01 . 2 . . . X 4 ARG HB2 . 36009 1
21 . 1 1 4 4 ARG HB3 H 1 1.843 0.01 . 2 . . . X 4 ARG HB3 . 36009 1
22 . 1 1 4 4 ARG HG2 H 1 1.729 0.01 . 1 . . . X 4 ARG HG2 . 36009 1
23 . 1 1 4 4 ARG HG3 H 1 1.674 0.01 . 1 . . . X 4 ARG HG3 . 36009 1
24 . 1 1 4 4 ARG HD2 H 1 3.224 0.01 . 2 . . . X 4 ARG HD2 . 36009 1
25 . 1 1 4 4 ARG HD3 H 1 3.224 0.01 . 2 . . . X 4 ARG HD3 . 36009 1
26 . 1 1 4 4 ARG HE H 1 7.174 0.01 . 1 . . . X 4 ARG HE . 36009 1
27 . 1 1 4 4 ARG N N 15 120.653 0.1 . 1 . . . X 4 ARG N . 36009 1
28 . 1 1 4 4 ARG NE N 15 120.143 0.1 . 1 . . . X 4 ARG NE . 36009 1
29 . 1 1 5 5 GLY H H 1 8.369 0.002 . 1 . . . X 5 GLY H . 36009 1
30 . 1 1 5 5 GLY HA2 H 1 4.024 0.01 . 1 . . . X 5 GLY HA2 . 36009 1
31 . 1 1 5 5 GLY HA3 H 1 3.873 0.01 . 1 . . . X 5 GLY HA3 . 36009 1
32 . 1 1 5 5 GLY N N 15 108.471 0.1 . 1 . . . X 5 GLY N . 36009 1
33 . 1 1 6 6 PHE H H 1 8.052 0.001 . 1 . . . X 6 PHE H . 36009 1
34 . 1 1 6 6 PHE HA H 1 4.418 0.001 . 1 . . . X 6 PHE HA . 36009 1
35 . 1 1 6 6 PHE HB2 H 1 3.098 0.002 . 1 . . . X 6 PHE HB2 . 36009 1
36 . 1 1 6 6 PHE HB3 H 1 3.164 0.006 . 1 . . . X 6 PHE HB3 . 36009 1
37 . 1 1 6 6 PHE HD1 H 1 7.181 0.005 . 3 . . . X 6 PHE HD1 . 36009 1
38 . 1 1 6 6 PHE HD2 H 1 7.181 0.005 . 3 . . . X 6 PHE HD2 . 36009 1
39 . 1 1 6 6 PHE HE1 H 1 7.277 0.003 . 3 . . . X 6 PHE HE1 . 36009 1
40 . 1 1 6 6 PHE HE2 H 1 7.277 0.003 . 3 . . . X 6 PHE HE2 . 36009 1
41 . 1 1 6 6 PHE N N 15 120.691 0.1 . 1 . . . X 6 PHE N . 36009 1
42 . 1 1 7 7 SER H H 1 7.998 0.003 . 1 . . . X 7 SER H . 36009 1
43 . 1 1 7 7 SER HA H 1 4.089 0.01 . 1 . . . X 7 SER HA . 36009 1
44 . 1 1 7 7 SER HB2 H 1 3.974 0.01 . 1 . . . X 7 SER HB2 . 36009 1
45 . 1 1 7 7 SER HB3 H 1 3.881 0.01 . 1 . . . X 7 SER HB3 . 36009 1
46 . 1 1 7 7 SER N N 15 114.093 0.1 . 1 . . . X 7 SER N . 36009 1
47 . 1 1 8 8 CYS H H 1 7.889 0.004 . 1 . . . X 8 CYS H . 36009 1
48 . 1 1 8 8 CYS HA H 1 4.160 0.01 . 1 . . . X 8 CYS HA . 36009 1
49 . 1 1 8 8 CYS HB2 H 1 2.983 0.01 . 2 . . . X 8 CYS HB2 . 36009 1
50 . 1 1 8 8 CYS HB3 H 1 2.983 0.01 . 2 . . . X 8 CYS HB3 . 36009 1
51 . 1 1 8 8 CYS N N 15 119.428 0.1 . 1 . . . X 8 CYS N . 36009 1
52 . 1 1 9 9 LEU H H 1 7.725 0.002 . 1 . . . X 9 LEU H . 36009 1
53 . 1 1 9 9 LEU HA H 1 4.079 0.01 . 1 . . . X 9 LEU HA . 36009 1
54 . 1 1 9 9 LEU HB2 H 1 1.718 0.01 . 2 . . . X 9 LEU HB2 . 36009 1
55 . 1 1 9 9 LEU HB3 H 1 1.718 0.01 . 2 . . . X 9 LEU HB3 . 36009 1
56 . 1 1 9 9 LEU HG H 1 1.647 0.007 . 1 . . . X 9 LEU HG . 36009 1
57 . 1 1 9 9 LEU HD11 H 1 0.911 0.01 . 2 . . . X 9 LEU HD11 . 36009 1
58 . 1 1 9 9 LEU HD12 H 1 0.911 0.01 . 2 . . . X 9 LEU HD12 . 36009 1
59 . 1 1 9 9 LEU HD13 H 1 0.911 0.01 . 2 . . . X 9 LEU HD13 . 36009 1
60 . 1 1 9 9 LEU HD21 H 1 0.855 0.01 . 2 . . . X 9 LEU HD21 . 36009 1
61 . 1 1 9 9 LEU HD22 H 1 0.855 0.01 . 2 . . . X 9 LEU HD22 . 36009 1
62 . 1 1 9 9 LEU HD23 H 1 0.855 0.01 . 2 . . . X 9 LEU HD23 . 36009 1
63 . 1 1 9 9 LEU N N 15 120.601 0.1 . 1 . . . X 9 LEU N . 36009 1
64 . 1 1 10 10 LEU H H 1 7.807 0.001 . 1 . . . X 10 LEU H . 36009 1
65 . 1 1 10 10 LEU HA H 1 3.855 0.01 . 1 . . . X 10 LEU HA . 36009 1
66 . 1 1 10 10 LEU HB2 H 1 1.271 0.01 . 1 . . . X 10 LEU HB2 . 36009 1
67 . 1 1 10 10 LEU HB3 H 1 1.843 0.01 . 1 . . . X 10 LEU HB3 . 36009 1
68 . 1 1 10 10 LEU HG H 1 1.505 0.01 . 1 . . . X 10 LEU HG . 36009 1
69 . 1 1 10 10 LEU HD11 H 1 0.713 0.01 . 2 . . . X 10 LEU HD11 . 36009 1
70 . 1 1 10 10 LEU HD12 H 1 0.713 0.01 . 2 . . . X 10 LEU HD12 . 36009 1
71 . 1 1 10 10 LEU HD13 H 1 0.713 0.01 . 2 . . . X 10 LEU HD13 . 36009 1
72 . 1 1 10 10 LEU HD21 H 1 0.785 0.01 . 2 . . . X 10 LEU HD21 . 36009 1
73 . 1 1 10 10 LEU HD22 H 1 0.785 0.01 . 2 . . . X 10 LEU HD22 . 36009 1
74 . 1 1 10 10 LEU HD23 H 1 0.785 0.01 . 2 . . . X 10 LEU HD23 . 36009 1
75 . 1 1 10 10 LEU N N 15 119.082 0.1 . 1 . . . X 10 LEU N . 36009 1
76 . 1 1 11 11 LEU H H 1 7.582 0.01 . 1 . . . X 11 LEU H . 36009 1
77 . 1 1 11 11 LEU HA H 1 4.081 0.01 . 1 . . . X 11 LEU HA . 36009 1
78 . 1 1 11 11 LEU HB2 H 1 1.769 0.01 . 1 . . . X 11 LEU HB2 . 36009 1
79 . 1 1 11 11 LEU HB3 H 1 1.835 0.01 . 1 . . . X 11 LEU HB3 . 36009 1
80 . 1 1 11 11 LEU HD11 H 1 0.912 0.01 . 2 . . . X 11 LEU HD11 . 36009 1
81 . 1 1 11 11 LEU HD12 H 1 0.912 0.01 . 2 . . . X 11 LEU HD12 . 36009 1
82 . 1 1 11 11 LEU HD13 H 1 0.912 0.01 . 2 . . . X 11 LEU HD13 . 36009 1
83 . 1 1 11 11 LEU HD21 H 1 0.912 0.01 . 2 . . . X 11 LEU HD21 . 36009 1
84 . 1 1 11 11 LEU HD22 H 1 0.912 0.01 . 2 . . . X 11 LEU HD22 . 36009 1
85 . 1 1 11 11 LEU HD23 H 1 0.912 0.01 . 2 . . . X 11 LEU HD23 . 36009 1
86 . 1 1 11 11 LEU N N 15 118.684 0.1 . 1 . . . X 11 LEU N . 36009 1
87 . 1 1 12 12 LEU H H 1 8.447 0.002 . 1 . . . X 12 LEU H . 36009 1
88 . 1 1 12 12 LEU HA H 1 4.125 0.01 . 1 . . . X 12 LEU HA . 36009 1
89 . 1 1 12 12 LEU HB2 H 1 1.624 0.01 . 2 . . . X 12 LEU HB2 . 36009 1
90 . 1 1 12 12 LEU HB3 H 1 1.624 0.01 . 2 . . . X 12 LEU HB3 . 36009 1
91 . 1 1 12 12 LEU HG H 1 1.872 0.01 . 1 . . . X 12 LEU HG . 36009 1
92 . 1 1 12 12 LEU N N 15 119.824 0.1 . 1 . . . X 12 LEU N . 36009 1
93 . 1 1 13 13 THR H H 1 7.783 0.002 . 1 . . . X 13 THR H . 36009 1
94 . 1 1 13 13 THR HA H 1 4.300 0.01 . 1 . . . X 13 THR HA . 36009 1
95 . 1 1 13 13 THR HB H 1 4.456 0.001 . 1 . . . X 13 THR HB . 36009 1
96 . 1 1 13 13 THR HG21 H 1 1.327 0.001 . 1 . . . X 13 THR HG21 . 36009 1
97 . 1 1 13 13 THR HG22 H 1 1.327 0.001 . 1 . . . X 13 THR HG22 . 36009 1
98 . 1 1 13 13 THR HG23 H 1 1.327 0.001 . 1 . . . X 13 THR HG23 . 36009 1
99 . 1 1 13 13 THR N N 15 105.122 0.1 . 1 . . . X 13 THR N . 36009 1
100 . 1 1 14 14 DSN H H 1 7.702 0.001 . 1 . . . X 14 DSN H . 36009 1
101 . 1 1 14 14 DSN N N 15 116.415 0.1 . 1 . . . X 14 DSN N . 36009 1
102 . 1 1 14 14 DSN HA H 1 4.313 0.01 . 1 . . . X 14 DSN HA . 36009 1
103 . 1 1 14 14 DSN HB2 H 1 4.106 0.01 . 1 . . . X 14 DSN HB2 . 36009 1
104 . 1 1 14 14 DSN HB3 H 1 4.106 0.01 . 1 . . . X 14 DSN HB3 . 36009 1
105 . 1 1 15 15 GLU H H 1 8.136 0.001 . 1 . . . X 15 GLU H . 36009 1
106 . 1 1 15 15 GLU HA H 1 4.340 0.001 . 1 . . . X 15 GLU HA . 36009 1
107 . 1 1 15 15 GLU HB2 H 1 2.264 0.01 . 1 . . . X 15 GLU HB2 . 36009 1
108 . 1 1 15 15 GLU HB3 H 1 1.910 0.002 . 1 . . . X 15 GLU HB3 . 36009 1
109 . 1 1 15 15 GLU HG2 H 1 2.463 0.002 . 1 . . . X 15 GLU HG2 . 36009 1
110 . 1 1 15 15 GLU HG3 H 1 2.437 0.003 . 1 . . . X 15 GLU HG3 . 36009 1
111 . 1 1 15 15 GLU N N 15 120.450 0.1 . 1 . . . X 15 GLU N . 36009 1
112 . 1 1 16 16 ILE H H 1 7.452 0.001 . 1 . . . X 16 ILE H . 36009 1
113 . 1 1 16 16 ILE HA H 1 4.093 0.01 . 1 . . . X 16 ILE HA . 36009 1
114 . 1 1 16 16 ILE HB H 1 1.732 0.004 . 1 . . . X 16 ILE HB . 36009 1
115 . 1 1 16 16 ILE HG12 H 1 1.156 0.001 . 2 . . . X 16 ILE HG12 . 36009 1
116 . 1 1 16 16 ILE HG13 H 1 1.156 0.001 . 2 . . . X 16 ILE HG13 . 36009 1
117 . 1 1 16 16 ILE HG21 H 1 0.856 0.01 . 2 . . . X 16 ILE HG21 . 36009 1
118 . 1 1 16 16 ILE HG22 H 1 0.856 0.01 . 2 . . . X 16 ILE HG22 . 36009 1
119 . 1 1 16 16 ILE HG23 H 1 0.856 0.01 . 2 . . . X 16 ILE HG23 . 36009 1
120 . 1 1 16 16 ILE HD11 H 1 1.366 0.01 . 1 . . . X 16 ILE HD11 . 36009 1
121 . 1 1 16 16 ILE HD12 H 1 1.366 0.01 . 1 . . . X 16 ILE HD12 . 36009 1
122 . 1 1 16 16 ILE HD13 H 1 1.366 0.01 . 1 . . . X 16 ILE HD13 . 36009 1
123 . 1 1 16 16 ILE N N 15 116.271 0.1 . 1 . . . X 16 ILE N . 36009 1
124 . 1 1 17 17 ASP H H 1 7.947 0.001 . 1 . . . X 17 ASP H . 36009 1
125 . 1 1 17 17 ASP HA H 1 4.792 0.01 . 1 . . . X 17 ASP HA . 36009 1
126 . 1 1 17 17 ASP HB2 H 1 2.925 0.01 . 1 . . . X 17 ASP HB2 . 36009 1
127 . 1 1 17 17 ASP HB3 H 1 2.755 0.01 . 1 . . . X 17 ASP HB3 . 36009 1
128 . 1 1 17 17 ASP N N 15 119.740 0.1 . 1 . . . X 17 ASP N . 36009 1
129 . 1 1 18 18 LEU H H 1 7.760 0.001 . 1 . . . X 18 LEU H . 36009 1
130 . 1 1 18 18 LEU HA H 1 4.532 0.01 . 1 . . . X 18 LEU HA . 36009 1
131 . 1 1 18 18 LEU HB2 H 1 1.715 0.01 . 2 . . . X 18 LEU HB2 . 36009 1
132 . 1 1 18 18 LEU HB3 H 1 1.715 0.01 . 2 . . . X 18 LEU HB3 . 36009 1
133 . 1 1 18 18 LEU HG H 1 1.531 0.002 . 1 . . . X 18 LEU HG . 36009 1
134 . 1 1 18 18 LEU HD11 H 1 0.948 0.01 . 2 . . . X 18 LEU HD11 . 36009 1
135 . 1 1 18 18 LEU HD12 H 1 0.948 0.01 . 2 . . . X 18 LEU HD12 . 36009 1
136 . 1 1 18 18 LEU HD13 H 1 0.948 0.01 . 2 . . . X 18 LEU HD13 . 36009 1
137 . 1 1 18 18 LEU HD21 H 1 0.914 0.001 . 2 . . . X 18 LEU HD21 . 36009 1
138 . 1 1 18 18 LEU HD22 H 1 0.914 0.001 . 2 . . . X 18 LEU HD22 . 36009 1
139 . 1 1 18 18 LEU HD23 H 1 0.914 0.001 . 2 . . . X 18 LEU HD23 . 36009 1
140 . 1 1 18 18 LEU N N 15 122.450 0.1 . 1 . . . X 18 LEU N . 36009 1
141 . 1 1 19 19 PRO HA H 1 4.458 0.001 . 1 . . . X 19 PRO HA . 36009 1
142 . 1 1 19 19 PRO HB3 H 1 2.229 0.01 . 1 . . . X 19 PRO HB3 . 36009 1
143 . 1 1 19 19 PRO HG2 H 1 2.026 0.01 . 2 . . . X 19 PRO HG2 . 36009 1
144 . 1 1 19 19 PRO HG3 H 1 2.026 0.01 . 2 . . . X 19 PRO HG3 . 36009 1
145 . 1 1 19 19 PRO HD2 H 1 3.628 0.01 . 1 . . . X 19 PRO HD2 . 36009 1
146 . 1 1 19 19 PRO HD3 H 1 3.800 0.01 . 1 . . . X 19 PRO HD3 . 36009 1
147 . 1 1 20 20 VAL H H 1 7.511 0.001 . 1 . . . X 20 VAL H . 36009 1
148 . 1 1 20 20 VAL HA H 1 4.060 0.01 . 1 . . . X 20 VAL HA . 36009 1
149 . 1 1 20 20 VAL HB H 1 2.112 0.01 . 1 . . . X 20 VAL HB . 36009 1
150 . 1 1 20 20 VAL HG11 H 1 0.941 0.01 . 2 . . . X 20 VAL HG11 . 36009 1
151 . 1 1 20 20 VAL HG12 H 1 0.941 0.01 . 2 . . . X 20 VAL HG12 . 36009 1
152 . 1 1 20 20 VAL HG13 H 1 0.941 0.01 . 2 . . . X 20 VAL HG13 . 36009 1
153 . 1 1 20 20 VAL HG21 H 1 0.941 0.01 . 2 . . . X 20 VAL HG21 . 36009 1
154 . 1 1 20 20 VAL HG22 H 1 0.941 0.01 . 2 . . . X 20 VAL HG22 . 36009 1
155 . 1 1 20 20 VAL HG23 H 1 0.941 0.01 . 2 . . . X 20 VAL HG23 . 36009 1
156 . 1 1 20 20 VAL N N 15 116.495 0.1 . 1 . . . X 20 VAL N . 36009 1
157 . 1 1 21 21 LYS H H 1 8.032 0.001 . 1 . . . X 21 LYS H . 36009 1
158 . 1 1 21 21 LYS HA H 1 4.304 0.001 . 1 . . . X 21 LYS HA . 36009 1
159 . 1 1 21 21 LYS HB2 H 1 1.792 0.003 . 1 . . . X 21 LYS HB2 . 36009 1
160 . 1 1 21 21 LYS HB3 H 1 1.864 0.005 . 1 . . . X 21 LYS HB3 . 36009 1
161 . 1 1 21 21 LYS HG2 H 1 1.434 0.002 . 1 . . . X 21 LYS HG2 . 36009 1
162 . 1 1 21 21 LYS HG3 H 1 1.491 0.002 . 1 . . . X 21 LYS HG3 . 36009 1
163 . 1 1 21 21 LYS HD2 H 1 1.705 0.01 . 2 . . . X 21 LYS HD2 . 36009 1
164 . 1 1 21 21 LYS HD3 H 1 1.705 0.01 . 2 . . . X 21 LYS HD3 . 36009 1
165 . 1 1 21 21 LYS HE2 H 1 3.000 0.001 . 2 . . . X 21 LYS HE2 . 36009 1
166 . 1 1 21 21 LYS HE3 H 1 3.000 0.001 . 2 . . . X 21 LYS HE3 . 36009 1
167 . 1 1 21 21 LYS HZ1 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ1 . 36009 1
168 . 1 1 21 21 LYS HZ2 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ2 . 36009 1
169 . 1 1 21 21 LYS HZ3 H 1 7.610 0.01 . 1 . . . X 21 LYS HZ3 . 36009 1
170 . 1 1 21 21 LYS N N 15 122.468 0.1 . 1 . . . X 21 LYS N . 36009 1
171 . 1 1 22 22 ARG H H 1 8.080 0.01 . 1 . . . X 22 ARG H . 36009 1
172 . 1 1 22 22 ARG N N 15 120.730 0.1 . 1 . . . X 22 ARG N . 36009 1
173 . 1 1 23 23 ARG H H 1 8.095 0.01 . 1 . . . X 23 ARG H . 36009 1
174 . 1 1 23 23 ARG N N 15 121.356 0.1 . 1 . . . X 23 ARG N . 36009 1
175 . 1 1 24 24 ALA H H 1 8.095 0.01 . 1 . . . X 24 ALA H . 36009 1
176 . 1 1 24 24 ALA HA H 1 4.293 0.01 . 1 . . . X 24 ALA HA . 36009 1
177 . 1 1 24 24 ALA HB1 H 1 1.414 0.001 . 1 . . . X 24 ALA HB1 . 36009 1
178 . 1 1 24 24 ALA HB2 H 1 1.414 0.001 . 1 . . . X 24 ALA HB2 . 36009 1
179 . 1 1 24 24 ALA HB3 H 1 1.414 0.001 . 1 . . . X 24 ALA HB3 . 36009 1
180 . 1 1 24 24 ALA N N 15 126.854 0.1 . 1 . . . X 24 ALA N . 36009 1
stop_
save_