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 52321
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Poecitoxin-1a_chem_shifts
_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
2 '2D 1H-15N HSQC' . . . 52321 1
4 '2D 1H-1H TOCSY' . . . 52321 1
5 '2D DQF-COSY' . . . 52321 1
6 '2D 1H-1H NOESY' . . . 52321 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
1 $software_1 . . 52321 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 . 1 . 1 1 1 GLU HA H 1 4.16 0.01 . 1 . . . . . 1 GLU HA . 52321 1
2 . 1 . 1 1 1 GLU HB2 H 1 2.19 0.01 . 2 . . . . . 1 GLU HB2 . 52321 1
3 . 1 . 1 1 1 GLU HB3 H 1 2.15 0.01 . 2 . . . . . 1 GLU HB3 . 52321 1
4 . 1 . 1 1 1 GLU HG2 H 1 2.46 0.01 . 1 . . . . . 1 GLU HG2 . 52321 1
5 . 1 . 1 1 1 GLU HG3 H 1 2.46 0.01 . 1 . . . . . 1 GLU HG3 . 52321 1
6 . 1 . 1 2 2 CYS H H 1 8.765 0.01 . 1 . . . . . 2 CYS H . 52321 1
7 . 1 . 1 2 2 CYS HA H 1 4.73 0.01 . 1 . . . . . 2 CYS HA . 52321 1
8 . 1 . 1 2 2 CYS HB2 H 1 3.17 0.01 . 2 . . . . . 2 CYS HB2 . 52321 1
9 . 1 . 1 2 2 CYS HB3 H 1 2.86 0.01 . 2 . . . . . 2 CYS HB3 . 52321 1
10 . 1 . 1 3 3 ARG H H 1 9.14 0.01 . 1 . . . . . 3 ARG H . 52321 1
11 . 1 . 1 3 3 ARG HA H 1 4.51 0.01 . 1 . . . . . 3 ARG HA . 52321 1
12 . 1 . 1 3 3 ARG HB2 H 1 2.08 0.01 . 1 . . . . . 3 ARG HB2 . 52321 1
13 . 1 . 1 3 3 ARG HB3 H 1 2.08 0.01 . 1 . . . . . 3 ARG HB3 . 52321 1
14 . 1 . 1 3 3 ARG HG2 H 1 1.79 0.01 . 2 . . . . . 3 ARG HG2 . 52321 1
15 . 1 . 1 3 3 ARG HG3 H 1 1.96 0.01 . 2 . . . . . 3 ARG HG3 . 52321 1
16 . 1 . 1 3 3 ARG HD2 H 1 3.26 0.01 . 2 . . . . . 3 ARG HD2 . 52321 1
17 . 1 . 1 3 3 ARG HD3 H 1 3.34 0.01 . 2 . . . . . 3 ARG HD3 . 52321 1
18 . 1 . 1 3 3 ARG HE H 1 7.27 0.01 . 1 . . . . . 3 ARG HE . 52321 1
19 . 1 . 1 4 4 GLN H H 1 8.23 0.01 . 1 . . . . . 4 GLN H . 52321 1
20 . 1 . 1 4 4 GLN HA H 1 4.05 0.01 . 1 . . . . . 4 GLN HA . 52321 1
21 . 1 . 1 4 4 GLN HB2 H 1 2.32 0.01 . 2 . . . . . 4 GLN HB2 . 52321 1
22 . 1 . 1 4 4 GLN HB3 H 1 1.87 0.01 . 2 . . . . . 4 GLN HB3 . 52321 1
23 . 1 . 1 4 4 GLN HG2 H 1 2.57 0.01 . 2 . . . . . 4 GLN HG2 . 52321 1
24 . 1 . 1 4 4 GLN HG3 H 1 2.46 0.01 . 2 . . . . . 4 GLN HG3 . 52321 1
25 . 1 . 1 4 4 GLN HE21 H 1 7.63 0.01 . 2 . . . . . 4 GLN HE21 . 52321 1
26 . 1 . 1 4 4 GLN HE22 H 1 6.83 0.01 . 2 . . . . . 4 GLN HE22 . 52321 1
27 . 1 . 1 5 5 MET H H 1 8.19 0.01 . 1 . . . . . 5 MET H . 52321 1
28 . 1 . 1 5 5 MET HA H 1 3.656 0.01 . 1 . . . . . 5 MET HA . 52321 1
29 . 1 . 1 5 5 MET HB2 H 1 1.74 0.01 . 2 . . . . . 5 MET HB2 . 52321 1
30 . 1 . 1 5 5 MET HB3 H 1 1.59 0.01 . 2 . . . . . 5 MET HB3 . 52321 1
31 . 1 . 1 5 5 MET HG2 H 1 1.935 0.01 . 2 . . . . . 5 MET HG2 . 52321 1
32 . 1 . 1 5 5 MET HG3 H 1 1.27 0.01 . 2 . . . . . 5 MET HG3 . 52321 1
33 . 1 . 1 5 5 MET HE1 H 1 1.86 0.01 . 1 . . . . . 5 MET ME . 52321 1
34 . 1 . 1 5 5 MET HE2 H 1 1.86 0.01 . 1 . . . . . 5 MET ME . 52321 1
35 . 1 . 1 5 5 MET HE3 H 1 1.86 0.01 . 1 . . . . . 5 MET ME . 52321 1
36 . 1 . 1 6 6 PHE H H 1 8.925 0.01 . 1 . . . . . 6 PHE H . 52321 1
37 . 1 . 1 6 6 PHE HA H 1 3.565 0.01 . 1 . . . . . 6 PHE HA . 52321 1
38 . 1 . 1 6 6 PHE HB2 H 1 3.42 0.01 . 1 . . . . . 6 PHE HB2 proR 52321 1
39 . 1 . 1 6 6 PHE HB3 H 1 3.00 0.01 . 1 . . . . . 6 PHE HB3 proS 52321 1
40 . 1 . 1 6 6 PHE HD1 H 1 6.60 0.01 . 3 . . . . . 6 PHE HD1 . 52321 1
41 . 1 . 1 6 6 PHE HD2 H 1 6.60 0.01 . 3 . . . . . 6 PHE HD2 . 52321 1
42 . 1 . 1 6 6 PHE HE1 H 1 7.245 0.01 . 3 . . . . . 6 PHE HE1 . 52321 1
43 . 1 . 1 6 6 PHE HE2 H 1 7.245 0.01 . 3 . . . . . 6 PHE HE2 . 52321 1
44 . 1 . 1 6 6 PHE HZ H 1 7.245 0.01 . 1 . . . . . 6 PHE HZ . 52321 1
45 . 1 . 1 7 7 GLY H H 1 9.01 0.01 . 1 . . . . . 7 GLY H . 52321 1
46 . 1 . 1 7 7 GLY HA2 H 1 4.23 0.01 . 1 . . . . . 7 GLY HA2 proR 52321 1
47 . 1 . 1 7 7 GLY HA3 H 1 3.515 0.01 . 1 . . . . . 7 GLY HA3 proS 52321 1
48 . 1 . 1 8 8 GLY H H 1 8.71 0.01 . 1 . . . . . 8 GLY H . 52321 1
49 . 1 . 1 8 8 GLY HA2 H 1 4.38 0.01 . 1 . . . . . 8 GLY HA2 proR 52321 1
50 . 1 . 1 8 8 GLY HA3 H 1 3.85 0.01 . 1 . . . . . 8 GLY HA3 proS 52321 1
51 . 1 . 1 9 9 CYS H H 1 7.77 0.01 . 1 . . . . . 9 CYS H . 52321 1
52 . 1 . 1 9 9 CYS HA H 1 5.09 0.01 . 1 . . . . . 9 CYS HA . 52321 1
53 . 1 . 1 9 9 CYS HB2 H 1 3.22 0.01 . 2 . . . . . 9 CYS HB2 . 52321 1
54 . 1 . 1 9 9 CYS HB3 H 1 3.18 0.01 . 2 . . . . . 9 CYS HB3 . 52321 1
55 . 1 . 1 10 10 THR H H 1 9.81 0.01 . 1 . . . . . 10 THR H . 52321 1
56 . 1 . 1 10 10 THR HA H 1 4.46 0.01 . 1 . . . . . 10 THR HA . 52321 1
57 . 1 . 1 10 10 THR HB H 1 4.21 0.01 . 1 . . . . . 10 THR HB . 52321 1
58 . 1 . 1 10 10 THR HG21 H 1 1.20 0.01 . 1 . . . . . 10 THR MG . 52321 1
59 . 1 . 1 10 10 THR HG22 H 1 1.20 0.01 . 1 . . . . . 10 THR MG . 52321 1
60 . 1 . 1 10 10 THR HG23 H 1 1.20 0.01 . 1 . . . . . 10 THR MG . 52321 1
61 . 1 . 1 11 11 LYS H H 1 7.82 0.01 . 1 . . . . . 11 LYS H . 52321 1
62 . 1 . 1 11 11 LYS HA H 1 4.71 0.01 . 1 . . . . . 11 LYS HA . 52321 1
63 . 1 . 1 11 11 LYS HB2 H 1 2.01 0.01 . 2 . . . . . 11 LYS HB2 . 52321 1
64 . 1 . 1 11 11 LYS HB3 H 1 1.78 0.01 . 2 . . . . . 11 LYS HB3 . 52321 1
65 . 1 . 1 11 11 LYS HG2 H 1 1.37 0.01 . 1 . . . . . 11 LYS HG2 . 52321 1
66 . 1 . 1 11 11 LYS HG3 H 1 1.37 0.01 . 1 . . . . . 11 LYS HG3 . 52321 1
67 . 1 . 1 11 11 LYS HD2 H 1 1.61 0.01 . 1 . . . . . 11 LYS HD2 . 52321 1
68 . 1 . 1 11 11 LYS HD3 H 1 1.61 0.01 . 1 . . . . . 11 LYS HD3 . 52321 1
69 . 1 . 1 11 11 LYS HE2 H 1 2.90 0.01 . 1 . . . . . 11 LYS HE2 . 52321 1
70 . 1 . 1 11 11 LYS HE3 H 1 2.90 0.01 . 1 . . . . . 11 LYS HE3 . 52321 1
71 . 1 . 1 12 12 ASP H H 1 8.89 0.01 . 1 . . . . . 12 ASP H . 52321 1
72 . 1 . 1 12 12 ASP HA H 1 4.14 0.01 . 1 . . . . . 12 ASP HA . 52321 1
73 . 1 . 1 12 12 ASP HB2 H 1 2.89 0.01 . 2 . . . . . 12 ASP HB2 . 52321 1
74 . 1 . 1 12 12 ASP HB3 H 1 2.69 0.01 . 2 . . . . . 12 ASP HB3 . 52321 1
75 . 1 . 1 13 13 SER H H 1 8.18 0.01 . 1 . . . . . 13 SER H . 52321 1
76 . 1 . 1 13 13 SER HA H 1 4.245 0.01 . 1 . . . . . 13 SER HA . 52321 1
77 . 1 . 1 13 13 SER HB2 H 1 4.06 0.01 . 2 . . . . . 13 SER HB2 . 52321 1
78 . 1 . 1 13 13 SER HB3 H 1 3.885 0.01 . 2 . . . . . 13 SER HB3 . 52321 1
79 . 1 . 1 14 14 GLU H H 1 7.44 0.01 . 1 . . . . . 14 GLU H . 52321 1
80 . 1 . 1 14 14 GLU HA H 1 4.26 0.01 . 1 . . . . . 14 GLU HA . 52321 1
81 . 1 . 1 14 14 GLU HB2 H 1 2.37 0.01 . 2 . . . . . 14 GLU HB2 . 52321 1
82 . 1 . 1 14 14 GLU HB3 H 1 2.15 0.01 . 2 . . . . . 14 GLU HB3 . 52321 1
83 . 1 . 1 14 14 GLU HG2 H 1 2.37 0.01 . 2 . . . . . 14 GLU HG2 . 52321 1
84 . 1 . 1 14 14 GLU HG3 H 1 2.21 0.01 . 2 . . . . . 14 GLU HG3 . 52321 1
85 . 1 . 1 15 15 CYS H H 1 8.03 0.01 . 1 . . . . . 15 CYS H . 52321 1
86 . 1 . 1 15 15 CYS HA H 1 5.16 0.01 . 1 . . . . . 15 CYS HA . 52321 1
87 . 1 . 1 15 15 CYS HB2 H 1 2.88 0.01 . 1 . . . . . 15 CYS HB2 proS 52321 1
88 . 1 . 1 15 15 CYS HB3 H 1 3.17 0.01 . 1 . . . . . 15 CYS HB3 proR 52321 1
89 . 1 . 1 16 16 CYS H H 1 8.97 0.01 . 1 . . . . . 16 CYS H . 52321 1
90 . 1 . 1 16 16 CYS HA H 1 4.60 0.01 . 1 . . . . . 16 CYS HA . 52321 1
91 . 1 . 1 16 16 CYS HB2 H 1 2.50 0.01 . 1 . . . . . 16 CYS HB2 proS 52321 1
92 . 1 . 1 16 16 CYS HB3 H 1 3.48 0.01 . 1 . . . . . 16 CYS HB3 proR 52321 1
93 . 1 . 1 17 17 ALA H H 1 7.85 0.01 . 1 . . . . . 17 ALA H . 52321 1
94 . 1 . 1 17 17 ALA HA H 1 3.98 0.01 . 1 . . . . . 17 ALA HA . 52321 1
95 . 1 . 1 17 17 ALA HB1 H 1 1.14 0.01 . 1 . . . . . 17 ALA MB . 52321 1
96 . 1 . 1 17 17 ALA HB2 H 1 1.14 0.01 . 1 . . . . . 17 ALA MB . 52321 1
97 . 1 . 1 17 17 ALA HB3 H 1 1.14 0.01 . 1 . . . . . 17 ALA MB . 52321 1
98 . 1 . 1 18 18 HIS H H 1 8.48 0.01 . 1 . . . . . 18 HIS H . 52321 1
99 . 1 . 1 18 18 HIS HA H 1 4.10 0.01 . 1 . . . . . 18 HIS HA . 52321 1
100 . 1 . 1 18 18 HIS HB2 H 1 3.63 0.01 . 2 . . . . . 18 HIS HB2 . 52321 1
101 . 1 . 1 18 18 HIS HB3 H 1 3.39 0.01 . 2 . . . . . 18 HIS HB3 . 52321 1
102 . 1 . 1 18 18 HIS HD2 H 1 7.17 0.01 . 1 . . . . . 18 HIS HD2 . 52321 1
103 . 1 . 1 18 18 HIS HE1 H 1 8.52 0.01 . 1 . . . . . 18 HIS HE1 . 52321 1
104 . 1 . 1 19 19 LEU H H 1 7.74 0.01 . 1 . . . . . 19 LEU H . 52321 1
105 . 1 . 1 19 19 LEU HA H 1 5.05 0.01 . 1 . . . . . 19 LEU HA . 52321 1
106 . 1 . 1 19 19 LEU HB2 H 1 2.17 0.01 . 1 . . . . . 19 LEU HB2 proR 52321 1
107 . 1 . 1 19 19 LEU HB3 H 1 1.10 0.01 . 1 . . . . . 19 LEU HB3 proS 52321 1
108 . 1 . 1 19 19 LEU HG H 1 1.49 0.01 . 1 . . . . . 19 LEU HG . 52321 1
109 . 1 . 1 19 19 LEU HD11 H 1 0.74 0.01 . 1 . . . . . 19 LEU MD1 proR 52321 1
110 . 1 . 1 19 19 LEU HD12 H 1 0.74 0.01 . 1 . . . . . 19 LEU MD1 proR 52321 1
111 . 1 . 1 19 19 LEU HD13 H 1 0.74 0.01 . 1 . . . . . 19 LEU MD1 proR 52321 1
112 . 1 . 1 19 19 LEU HD21 H 1 0.63 0.01 . 1 . . . . . 19 LEU MD2 proS 52321 1
113 . 1 . 1 19 19 LEU HD22 H 1 0.63 0.01 . 1 . . . . . 19 LEU MD2 proS 52321 1
114 . 1 . 1 19 19 LEU HD23 H 1 0.63 0.01 . 1 . . . . . 19 LEU MD2 proS 52321 1
115 . 1 . 1 20 20 GLY H H 1 8.96 0.01 . 1 . . . . . 20 GLY H . 52321 1
116 . 1 . 1 20 20 GLY HA2 H 1 4.35 0.01 . 1 . . . . . 20 GLY HA2 proR 52321 1
117 . 1 . 1 20 20 GLY HA3 H 1 3.67 0.01 . 1 . . . . . 20 GLY HA3 proS 52321 1
118 . 1 . 1 21 21 CYS H H 1 9.59 0.01 . 1 . . . . . 21 CYS H . 52321 1
119 . 1 . 1 21 21 CYS HA H 1 4.71 0.01 . 1 . . . . . 21 CYS HA . 52321 1
120 . 1 . 1 21 21 CYS HB2 H 1 2.70 0.01 . 2 . . . . . 21 CYS HB2 . 52321 1
121 . 1 . 1 21 21 CYS HB3 H 1 2.55 0.01 . 2 . . . . . 21 CYS HB3 . 52321 1
122 . 1 . 1 22 22 ARG H H 1 8.07 0.01 . 1 . . . . . 22 ARG H . 52321 1
123 . 1 . 1 22 22 ARG HA H 1 4.11 0.01 . 1 . . . . . 22 ARG HA . 52321 1
124 . 1 . 1 22 22 ARG HB2 H 1 2.14 0.01 . 2 . . . . . 22 ARG HB2 . 52321 1
125 . 1 . 1 22 22 ARG HB3 H 1 1.79 0.01 . 2 . . . . . 22 ARG HB3 . 52321 1
126 . 1 . 1 22 22 ARG HG2 H 1 1.71 0.01 . 1 . . . . . 22 ARG HG2 . 52321 1
127 . 1 . 1 22 22 ARG HG3 H 1 1.71 0.01 . 1 . . . . . 22 ARG HG3 . 52321 1
128 . 1 . 1 22 22 ARG HD2 H 1 2.94 0.01 . 2 . . . . . 22 ARG HD2 . 52321 1
129 . 1 . 1 22 22 ARG HD3 H 1 2.22 0.01 . 2 . . . . . 22 ARG HD3 . 52321 1
130 . 1 . 1 22 22 ARG HE H 1 7.05 0.01 . 1 . . . . . 22 ARG HE . 52321 1
131 . 1 . 1 23 23 THR H H 1 8.03 0.01 . 1 . . . . . 23 THR H . 52321 1
132 . 1 . 1 23 23 THR HA H 1 4.285 0.01 . 1 . . . . . 23 THR HA . 52321 1
133 . 1 . 1 23 23 THR HB H 1 4.54 0.01 . 1 . . . . . 23 THR HB . 52321 1
134 . 1 . 1 23 23 THR HG21 H 1 1.245 0.01 . 1 . . . . . 23 THR MG . 52321 1
135 . 1 . 1 23 23 THR HG22 H 1 1.245 0.01 . 1 . . . . . 23 THR MG . 52321 1
136 . 1 . 1 23 23 THR HG23 H 1 1.245 0.01 . 1 . . . . . 23 THR MG . 52321 1
137 . 1 . 1 24 24 LYS H H 1 7.22 0.01 . 1 . . . . . 24 LYS H . 52321 1
138 . 1 . 1 24 24 LYS HA H 1 4.61 0.01 . 1 . . . . . 24 LYS HA . 52321 1
139 . 1 . 1 24 24 LYS HB2 H 1 1.76 0.01 . 2 . . . . . 24 LYS HB2 . 52321 1
140 . 1 . 1 24 24 LYS HB3 H 1 1.57 0.01 . 2 . . . . . 24 LYS HB3 . 52321 1
141 . 1 . 1 24 24 LYS HG2 H 1 1.43 0.01 . 1 . . . . . 24 LYS HG2 . 52321 1
142 . 1 . 1 24 24 LYS HG3 H 1 1.43 0.01 . 1 . . . . . 24 LYS HG3 . 52321 1
143 . 1 . 1 24 24 LYS HD2 H 1 1.71 0.01 . 1 . . . . . 24 LYS HD2 . 52321 1
144 . 1 . 1 24 24 LYS HD3 H 1 1.71 0.01 . 1 . . . . . 24 LYS HD3 . 52321 1
145 . 1 . 1 24 24 LYS HE2 H 1 3.03 0.01 . 1 . . . . . 24 LYS HE2 . 52321 1
146 . 1 . 1 24 24 LYS HE3 H 1 3.03 0.01 . 1 . . . . . 24 LYS HE3 . 52321 1
147 . 1 . 1 25 25 TRP H H 1 8.30 0.01 . 1 . . . . . 25 TRP H . 52321 1
148 . 1 . 1 25 25 TRP HA H 1 3.09 0.01 . 1 . . . . . 25 TRP HA . 52321 1
149 . 1 . 1 25 25 TRP HB2 H 1 2.99 0.01 . 1 . . . . . 25 TRP HB2 . 52321 1
150 . 1 . 1 25 25 TRP HB3 H 1 2.99 0.01 . 1 . . . . . 25 TRP HB3 . 52321 1
151 . 1 . 1 25 25 TRP HD1 H 1 7.18 0.01 . 1 . . . . . 25 TRP HD1 . 52321 1
152 . 1 . 1 25 25 TRP HE1 H 1 10.21 0.01 . 1 . . . . . 25 TRP HE1 . 52321 1
153 . 1 . 1 25 25 TRP HE3 H 1 7.22 0.01 . 1 . . . . . 25 TRP HE3 . 52321 1
154 . 1 . 1 25 25 TRP HZ2 H 1 7.51 0.01 . 1 . . . . . 25 TRP HZ2 . 52321 1
155 . 1 . 1 25 25 TRP HZ3 H 1 7.13 0.01 . 1 . . . . . 25 TRP HZ3 . 52321 1
156 . 1 . 1 25 25 TRP HH2 H 1 7.25 0.01 . 1 . . . . . 25 TRP HH2 . 52321 1
157 . 1 . 1 26 26 PRO HA H 1 2.75 0.01 . 1 . . . . . 26 PRO HA . 52321 1
158 . 1 . 1 26 26 PRO HB2 H 1 1.31 0.01 . 1 . . . . . 26 PRO HB2 proR 52321 1
159 . 1 . 1 26 26 PRO HB3 H 1 0.82 0.01 . 1 . . . . . 26 PRO HB3 proS 52321 1
160 . 1 . 1 26 26 PRO HG2 H 1 1.43 0.01 . 1 . . . . . 26 PRO HG2 proS 52321 1
161 . 1 . 1 26 26 PRO HG3 H 1 0.99 0.01 . 1 . . . . . 26 PRO HG3 proR 52321 1
162 . 1 . 1 26 26 PRO HD2 H 1 3.18 0.01 . 1 . . . . . 26 PRO HD2 proS 52321 1
163 . 1 . 1 26 26 PRO HD3 H 1 3.00 0.01 . 1 . . . . . 26 PRO HD3 proR 52321 1
164 . 1 . 1 27 27 TYR H H 1 7.53 0.01 . 1 . . . . . 27 TYR H . 52321 1
165 . 1 . 1 27 27 TYR HA H 1 4.305 0.01 . 1 . . . . . 27 TYR HA . 52321 1
166 . 1 . 1 27 27 TYR HB2 H 1 3.11 0.01 . 1 . . . . . 27 TYR HB2 proR 52321 1
167 . 1 . 1 27 27 TYR HB3 H 1 3.305 0.01 . 1 . . . . . 27 TYR HB3 proS 52321 1
168 . 1 . 1 27 27 TYR HD1 H 1 7.19 0.01 . 3 . . . . . 27 TYR HD1 . 52321 1
169 . 1 . 1 27 27 TYR HD2 H 1 7.19 0.01 . 3 . . . . . 27 TYR HD2 . 52321 1
170 . 1 . 1 27 27 TYR HE1 H 1 6.85 0.01 . 3 . . . . . 27 TYR HE1 . 52321 1
171 . 1 . 1 27 27 TYR HE2 H 1 6.85 0.01 . 3 . . . . . 27 TYR HE2 . 52321 1
172 . 1 . 1 28 28 TYR H H 1 6.785 0.01 . 1 . . . . . 28 TYR H . 52321 1
173 . 1 . 1 28 28 TYR HA H 1 5.555 0.01 . 1 . . . . . 28 TYR HA . 52321 1
174 . 1 . 1 28 28 TYR HB2 H 1 2.675 0.01 . 1 . . . . . 28 TYR HB2 proR 52321 1
175 . 1 . 1 28 28 TYR HB3 H 1 2.76 0.01 . 1 . . . . . 28 TYR HB3 proS 52321 1
176 . 1 . 1 28 28 TYR HD1 H 1 6.86 0.01 . 3 . . . . . 28 TYR HD1 . 52321 1
177 . 1 . 1 28 28 TYR HD2 H 1 6.86 0.01 . 3 . . . . . 28 TYR HD2 . 52321 1
178 . 1 . 1 28 28 TYR HE1 H 1 6.68 0.01 . 3 . . . . . 28 TYR HE1 . 52321 1
179 . 1 . 1 28 28 TYR HE2 H 1 6.68 0.01 . 3 . . . . . 28 TYR HE2 . 52321 1
180 . 1 . 1 29 29 CYS H H 1 8.89 0.01 . 1 . . . . . 29 CYS H . 52321 1
181 . 1 . 1 29 29 CYS HA H 1 5.02 0.01 . 1 . . . . . 29 CYS HA . 52321 1
182 . 1 . 1 29 29 CYS HB2 H 1 3.00 0.01 . 1 . . . . . 29 CYS HB2 proS 52321 1
183 . 1 . 1 29 29 CYS HB3 H 1 2.66 0.01 . 1 . . . . . 29 CYS HB3 proR 52321 1
184 . 1 . 1 30 30 ALA H H 1 9.72 0.01 . 1 . . . . . 30 ALA H . 52321 1
185 . 1 . 1 30 30 ALA HA H 1 4.88 0.01 . 1 . . . . . 30 ALA HA . 52321 1
186 . 1 . 1 30 30 ALA HB1 H 1 1.51 0.01 . 1 . . . . . 30 ALA MB . 52321 1
187 . 1 . 1 30 30 ALA HB2 H 1 1.51 0.01 . 1 . . . . . 30 ALA MB . 52321 1
188 . 1 . 1 30 30 ALA HB3 H 1 1.51 0.01 . 1 . . . . . 30 ALA MB . 52321 1
189 . 1 . 1 31 31 TRP H H 1 8.585 0.01 . 1 . . . . . 31 TRP H . 52321 1
190 . 1 . 1 31 31 TRP HA H 1 4.84 0.01 . 1 . . . . . 31 TRP HA . 52321 1
191 . 1 . 1 31 31 TRP HB2 H 1 3.35 0.01 . 2 . . . . . 31 TRP HB2 . 52321 1
192 . 1 . 1 31 31 TRP HB3 H 1 3.18 0.01 . 2 . . . . . 31 TRP HB3 . 52321 1
193 . 1 . 1 31 31 TRP HD1 H 1 7.61 0.01 . 1 . . . . . 31 TRP HD1 . 52321 1
194 . 1 . 1 31 31 TRP HE1 H 1 10.46 0.01 . 1 . . . . . 31 TRP HE1 . 52321 1
195 . 1 . 1 31 31 TRP HE3 H 1 7.61 0.01 . 1 . . . . . 31 TRP HE3 . 52321 1
196 . 1 . 1 31 31 TRP HZ2 H 1 7.24 0.01 . 1 . . . . . 31 TRP HZ2 . 52321 1
197 . 1 . 1 31 31 TRP HZ3 H 1 7.13 0.01 . 1 . . . . . 31 TRP HZ3 . 52321 1
198 . 1 . 1 31 31 TRP HH2 H 1 7.13 0.01 . 1 . . . . . 31 TRP HH2 . 52321 1
199 . 1 . 1 32 32 ASP H H 1 8.215 0.01 . 1 . . . . . 32 ASP H . 52321 1
200 . 1 . 1 32 32 ASP HA H 1 4.45 0.01 . 1 . . . . . 32 ASP HA . 52321 1
201 . 1 . 1 32 32 ASP HB2 H 1 2.75 0.01 . 2 . . . . . 32 ASP HB2 . 52321 1
202 . 1 . 1 32 32 ASP HB3 H 1 2.32 0.01 . 2 . . . . . 32 ASP HB3 . 52321 1
203 . 1 . 1 33 33 GLY H H 1 6.46 0.01 . 1 . . . . . 33 GLY H . 52321 1
204 . 1 . 1 33 33 GLY HA2 H 1 3.65 0.01 . 2 . . . . . 33 GLY HA2 . 52321 1
205 . 1 . 1 33 33 GLY HA3 H 1 2.61 0.01 . 2 . . . . . 33 GLY HA3 . 52321 1
206 . 1 . 1 34 34 THR H H 1 8.075 0.01 . 1 . . . . . 34 THR H . 52321 1
207 . 1 . 1 34 34 THR HA H 1 4.44 0.01 . 1 . . . . . 34 THR HA . 52321 1
208 . 1 . 1 34 34 THR HB H 1 4.30 0.01 . 1 . . . . . 34 THR HB . 52321 1
209 . 1 . 1 34 34 THR HG21 H 1 1.135 0.01 . 1 . . . . . 34 THR MG . 52321 1
210 . 1 . 1 34 34 THR HG22 H 1 1.135 0.01 . 1 . . . . . 34 THR MG . 52321 1
211 . 1 . 1 34 34 THR HG23 H 1 1.135 0.01 . 1 . . . . . 34 THR MG . 52321 1
212 . 1 . 1 35 35 VAL H H 1 8.13 0.01 . 1 . . . . . 35 VAL H . 52321 1
213 . 1 . 1 35 35 VAL HA H 1 4.09 0.01 . 1 . . . . . 35 VAL HA . 52321 1
214 . 1 . 1 35 35 VAL HB H 1 2.00 0.01 . 1 . . . . . 35 VAL HB . 52321 1
215 . 1 . 1 35 35 VAL HG11 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG1 . 52321 1
216 . 1 . 1 35 35 VAL HG12 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG1 . 52321 1
217 . 1 . 1 35 35 VAL HG13 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG1 . 52321 1
218 . 1 . 1 35 35 VAL HG21 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG2 . 52321 1
219 . 1 . 1 35 35 VAL HG22 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG2 . 52321 1
220 . 1 . 1 35 35 VAL HG23 H 1 0.90 0.01 . 1 . . . . . 35 VAL MG2 . 52321 1
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