Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25370
_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 $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'Chemical shifts at 298K'
_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 COSY' 1 $sample_1 isotropic 25370 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25370 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25370 1
7 '2D 1H-1H COSY' 2 $sample_2 isotropic 25370 1
8 '2D 1H-1H TOCSY' 2 $sample_2 isotropic 25370 1
9 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25370 1
10 '2D 1H-13C HSQC aliphatic' 2 $sample_2 isotropic 25370 1
11 '2D 1H-13C HSQC aromatic' 2 $sample_2 isotropic 25370 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 $SPARKY . . 25370 1
2 $TOPSPIN . . 25370 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 LYS HA H 1 4.01 0.01 . 1 . . . . 1 LYS HA . 25370 1
2 . 1 1 1 1 LYS HB2 H 1 1.88 0.01 . 2 . . . . 1 LYS HB2 . 25370 1
3 . 1 1 1 1 LYS HB3 H 1 1.88 0.01 . 2 . . . . 1 LYS HB3 . 25370 1
4 . 1 1 1 1 LYS HD2 H 1 1.69 0.01 . 2 . . . . 1 LYS HD2 . 25370 1
5 . 1 1 1 1 LYS HD3 H 1 1.69 0.01 . 2 . . . . 1 LYS HD3 . 25370 1
6 . 1 1 1 1 LYS HE2 H 1 2.97 0.01 . 2 . . . . 1 LYS HE2 . 25370 1
7 . 1 1 1 1 LYS HE3 H 1 2.97 0.01 . 2 . . . . 1 LYS HE3 . 25370 1
8 . 1 1 1 1 LYS HG2 H 1 1.44 0.01 . 2 . . . . 1 LYS HG2 . 25370 1
9 . 1 1 1 1 LYS HG3 H 1 1.44 0.01 . 2 . . . . 1 LYS HG3 . 25370 1
10 . 1 1 1 1 LYS HZ1 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ1 . 25370 1
11 . 1 1 1 1 LYS HZ2 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ2 . 25370 1
12 . 1 1 1 1 LYS HZ3 H 1 7.65 0.01 . 1 . . . . 1 LYS HZ3 . 25370 1
13 . 1 1 1 1 LYS CA C 13 54.9 0.1 . 1 . . . . 1 LYS CA . 25370 1
14 . 1 1 1 1 LYS CB C 13 32.7 0.1 . 1 . . . . 1 LYS CB . 25370 1
15 . 1 1 1 1 LYS CD C 13 28.6 0.1 . 1 . . . . 1 LYS CD . 25370 1
16 . 1 1 1 1 LYS CE C 13 41.2 0.1 . 1 . . . . 1 LYS CE . 25370 1
17 . 1 1 1 1 LYS CG C 13 23.5 0.1 . 1 . . . . 1 LYS CG . 25370 1
18 . 1 1 2 2 LYS H H 1 8.75 0.01 . 1 . . . . 2 LYS H . 25370 1
19 . 1 1 2 2 LYS HA H 1 4.34 0.01 . 1 . . . . 2 LYS HA . 25370 1
20 . 1 1 2 2 LYS HB2 H 1 1.75 0.01 . 2 . . . . 2 LYS HB2 . 25370 1
21 . 1 1 2 2 LYS HB3 H 1 1.75 0.01 . 2 . . . . 2 LYS HB3 . 25370 1
22 . 1 1 2 2 LYS HE2 H 1 2.96 0.01 . 2 . . . . 2 LYS HE2 . 25370 1
23 . 1 1 2 2 LYS HE3 H 1 2.96 0.01 . 2 . . . . 2 LYS HE3 . 25370 1
24 . 1 1 2 2 LYS HG2 H 1 1.4 0.01 . 2 . . . . 2 LYS HG2 . 25370 1
25 . 1 1 2 2 LYS HG3 H 1 1.44 0.01 . 2 . . . . 2 LYS HG3 . 25370 1
26 . 1 1 2 2 LYS CA C 13 55.9 0.1 . 1 . . . . 2 LYS CA . 25370 1
27 . 1 1 2 2 LYS CB C 13 32.7 0.1 . 1 . . . . 2 LYS CB . 25370 1
28 . 1 1 2 2 LYS CE C 13 41.5 0.1 . 1 . . . . 2 LYS CE . 25370 1
29 . 1 1 2 2 LYS CG C 13 24.4 0.1 . 1 . . . . 2 LYS CG . 25370 1
30 . 1 1 3 3 ARG H H 1 8.61 0.01 . 1 . . . . 3 ARG H . 25370 1
31 . 1 1 3 3 ARG HA H 1 4.32 0.01 . 1 . . . . 3 ARG HA . 25370 1
32 . 1 1 3 3 ARG HB2 H 1 1.75 0.01 . 2 . . . . 3 ARG HB2 . 25370 1
33 . 1 1 3 3 ARG HB3 H 1 1.8 0.01 . 2 . . . . 3 ARG HB3 . 25370 1
34 . 1 1 3 3 ARG HD2 H 1 3.18 0.01 . 2 . . . . 3 ARG HD2 . 25370 1
35 . 1 1 3 3 ARG HD3 H 1 3.18 0.01 . 2 . . . . 3 ARG HD3 . 25370 1
36 . 1 1 3 3 ARG HE H 1 7.3 0.01 . 1 . . . . 3 ARG HE . 25370 1
37 . 1 1 3 3 ARG HG2 H 1 1.6 0.01 . 2 . . . . 3 ARG HG2 . 25370 1
38 . 1 1 3 3 ARG HG3 H 1 1.65 0.01 . 2 . . . . 3 ARG HG3 . 25370 1
39 . 1 1 3 3 ARG CA C 13 55.5 0.1 . 1 . . . . 3 ARG CA . 25370 1
40 . 1 1 3 3 ARG CB C 13 30.6 0.1 . 1 . . . . 3 ARG CB . 25370 1
41 . 1 1 3 3 ARG CD C 13 42.8 0.1 . 1 . . . . 3 ARG CD . 25370 1
42 . 1 1 3 3 ARG CG C 13 26.8 0.1 . 1 . . . . 3 ARG CG . 25370 1
43 . 1 1 4 4 LEU H H 1 8.44 0.01 . 1 . . . . 4 LEU H . 25370 1
44 . 1 1 4 4 LEU HA H 1 4.31 0.01 . 1 . . . . 4 LEU HA . 25370 1
45 . 1 1 4 4 LEU HB2 H 1 1.56 0.01 . 2 . . . . 4 LEU HB2 . 25370 1
46 . 1 1 4 4 LEU HB3 H 1 1.65 0.01 . 2 . . . . 4 LEU HB3 . 25370 1
47 . 1 1 4 4 LEU HD11 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1
48 . 1 1 4 4 LEU HD12 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1
49 . 1 1 4 4 LEU HD13 H 1 0.87 0.01 . 2 . . . . 4 LEU HD1 . 25370 1
50 . 1 1 4 4 LEU HD21 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1
51 . 1 1 4 4 LEU HD22 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1
52 . 1 1 4 4 LEU HD23 H 1 0.92 0.01 . 2 . . . . 4 LEU HD2 . 25370 1
53 . 1 1 4 4 LEU HG H 1 1.65 0.01 . 1 . . . . 4 LEU HG . 25370 1
54 . 1 1 4 4 LEU CA C 13 54.7 0.1 . 1 . . . . 4 LEU CA . 25370 1
55 . 1 1 4 4 LEU CB C 13 42 0.1 . 1 . . . . 4 LEU CB . 25370 1
56 . 1 1 4 4 LEU CD1 C 13 23.3 0.1 . 1 . . . . 4 LEU CD1 . 25370 1
57 . 1 1 4 4 LEU CD2 C 13 24.6 0.1 . 1 . . . . 4 LEU CD2 . 25370 1
58 . 1 1 4 4 LEU CG C 13 26.7 0.1 . 1 . . . . 4 LEU CG . 25370 1
59 . 1 1 5 5 LYS H H 1 8.3 0.01 . 1 . . . . 5 LYS H . 25370 1
60 . 1 1 5 5 LYS HA H 1 4.24 0.01 . 1 . . . . 5 LYS HA . 25370 1
61 . 1 1 5 5 LYS HB2 H 1 1.68 0.01 . 2 . . . . 5 LYS HB2 . 25370 1
62 . 1 1 5 5 LYS HB3 H 1 1.77 0.01 . 2 . . . . 5 LYS HB3 . 25370 1
63 . 1 1 5 5 LYS HD2 H 1 1.66 0.01 . 2 . . . . 5 LYS HD2 . 25370 1
64 . 1 1 5 5 LYS HD3 H 1 1.66 0.01 . 2 . . . . 5 LYS HD3 . 25370 1
65 . 1 1 5 5 LYS HE2 H 1 2.94 0.01 . 2 . . . . 5 LYS HE2 . 25370 1
66 . 1 1 5 5 LYS HE3 H 1 2.94 0.01 . 2 . . . . 5 LYS HE3 . 25370 1
67 . 1 1 5 5 LYS HG2 H 1 1.36 0.01 . 2 . . . . 5 LYS HG2 . 25370 1
68 . 1 1 5 5 LYS HG3 H 1 1.42 0.01 . 2 . . . . 5 LYS HG3 . 25370 1
69 . 1 1 5 5 LYS CA C 13 56 0.1 . 1 . . . . 5 LYS CA . 25370 1
70 . 1 1 5 5 LYS CB C 13 33 0.1 . 1 . . . . 5 LYS CB . 25370 1
71 . 1 1 5 5 LYS CD C 13 28.6 0.1 . 1 . . . . 5 LYS CD . 25370 1
72 . 1 1 5 5 LYS CE C 13 41.3 0.1 . 1 . . . . 5 LYS CE . 25370 1
73 . 1 1 5 5 LYS CG C 13 24.5 0.1 . 1 . . . . 5 LYS CG . 25370 1
74 . 1 1 6 6 LYS H H 1 8.22 0.01 . 1 . . . . 6 LYS H . 25370 1
75 . 1 1 6 6 LYS HA H 1 4.23 0.01 . 1 . . . . 6 LYS HA . 25370 1
76 . 1 1 6 6 LYS HB2 H 1 1.7 0.01 . 2 . . . . 6 LYS HB2 . 25370 1
77 . 1 1 6 6 LYS HB3 H 1 1.7 0.01 . 2 . . . . 6 LYS HB3 . 25370 1
78 . 1 1 6 6 LYS HD2 H 1 1.64 0.01 . 2 . . . . 6 LYS HD2 . 25370 1
79 . 1 1 6 6 LYS HD3 H 1 1.64 0.01 . 2 . . . . 6 LYS HD3 . 25370 1
80 . 1 1 6 6 LYS HE2 H 1 2.9 0.01 . 2 . . . . 6 LYS HE2 . 25370 1
81 . 1 1 6 6 LYS HE3 H 1 2.9 0.01 . 2 . . . . 6 LYS HE3 . 25370 1
82 . 1 1 6 6 LYS HG2 H 1 1.26 0.01 . 2 . . . . 6 LYS HG2 . 25370 1
83 . 1 1 6 6 LYS HG3 H 1 1.35 0.01 . 2 . . . . 6 LYS HG3 . 25370 1
84 . 1 1 6 6 LYS HZ1 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ1 . 25370 1
85 . 1 1 6 6 LYS HZ2 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ2 . 25370 1
86 . 1 1 6 6 LYS HZ3 H 1 7.59 0.01 . 1 . . . . 6 LYS HZ3 . 25370 1
87 . 1 1 6 6 LYS CA C 13 55.8 0.1 . 1 . . . . 6 LYS CA . 25370 1
88 . 1 1 6 6 LYS CB C 13 32.7 0.1 . 1 . . . . 6 LYS CB . 25370 1
89 . 1 1 6 6 LYS CD C 13 28.6 0.1 . 1 . . . . 6 LYS CD . 25370 1
90 . 1 1 6 6 LYS CE C 13 41.4 0.1 . 1 . . . . 6 LYS CE . 25370 1
91 . 1 1 6 6 LYS CG C 13 24.4 0.1 . 1 . . . . 6 LYS CG . 25370 1
92 . 1 1 7 7 ILE H H 1 8.1 0.01 . 1 . . . . 7 ILE H . 25370 1
93 . 1 1 7 7 ILE HA H 1 4.05 0.01 . 1 . . . . 7 ILE HA . 25370 1
94 . 1 1 7 7 ILE HB H 1 1.72 0.01 . 1 . . . . 7 ILE HB . 25370 1
95 . 1 1 7 7 ILE HD11 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1
96 . 1 1 7 7 ILE HD12 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1
97 . 1 1 7 7 ILE HD13 H 1 0.79 0.01 . 1 . . . . 7 ILE HD1 . 25370 1
98 . 1 1 7 7 ILE HG12 H 1 1.1 0.01 . 2 . . . . 7 ILE HG12 . 25370 1
99 . 1 1 7 7 ILE HG13 H 1 1.37 0.01 . 2 . . . . 7 ILE HG13 . 25370 1
100 . 1 1 7 7 ILE HG21 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1
101 . 1 1 7 7 ILE HG22 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1
102 . 1 1 7 7 ILE HG23 H 1 0.7 0.01 . 1 . . . . 7 ILE HG2 . 25370 1
103 . 1 1 7 7 ILE CA C 13 60.7 0.1 . 1 . . . . 7 ILE CA . 25370 1
104 . 1 1 7 7 ILE CB C 13 38.4 0.1 . 1 . . . . 7 ILE CB . 25370 1
105 . 1 1 7 7 ILE CD1 C 13 12.5 0.1 . 1 . . . . 7 ILE CD1 . 25370 1
106 . 1 1 7 7 ILE CG1 C 13 26.8 0.1 . 1 . . . . 7 ILE CG1 . 25370 1
107 . 1 1 7 7 ILE CG2 C 13 17 0.1 . 1 . . . . 7 ILE CG2 . 25370 1
108 . 1 1 8 8 PHE H H 1 8.31 0.01 . 1 . . . . 8 PHE H . 25370 1
109 . 1 1 8 8 PHE HA H 1 4.62 0.01 . 1 . . . . 8 PHE HA . 25370 1
110 . 1 1 8 8 PHE HB2 H 1 2.95 0.01 . 2 . . . . 8 PHE HB2 . 25370 1
111 . 1 1 8 8 PHE HB3 H 1 3.11 0.01 . 2 . . . . 8 PHE HB3 . 25370 1
112 . 1 1 8 8 PHE HD1 H 1 7.27 0.01 . 3 . . . . 8 PHE HD1 . 25370 1
113 . 1 1 8 8 PHE HD2 H 1 7.27 0.01 . 3 . . . . 8 PHE HD2 . 25370 1
114 . 1 1 8 8 PHE HZ H 1 7.19 0.01 . 1 . . . . 8 PHE HZ . 25370 1
115 . 1 1 8 8 PHE CA C 13 56.9 0.1 . 1 . . . . 8 PHE CA . 25370 1
116 . 1 1 8 8 PHE CB C 13 39.3 0.1 . 1 . . . . 8 PHE CB . 25370 1
117 . 1 1 9 9 LYS H H 1 8.2 0.01 . 1 . . . . 9 LYS H . 25370 1
118 . 1 1 9 9 LYS HA H 1 4.25 0.01 . 1 . . . . 9 LYS HA . 25370 1
119 . 1 1 9 9 LYS HB2 H 1 1.78 0.01 . 2 . . . . 9 LYS HB2 . 25370 1
120 . 1 1 9 9 LYS HB3 H 1 1.78 0.01 . 2 . . . . 9 LYS HB3 . 25370 1
121 . 1 1 9 9 LYS HE2 H 1 2.95 0.01 . 2 . . . . 9 LYS HE2 . 25370 1
122 . 1 1 9 9 LYS HE3 H 1 2.95 0.01 . 2 . . . . 9 LYS HE3 . 25370 1
123 . 1 1 9 9 LYS HG2 H 1 1.36 0.01 . 2 . . . . 9 LYS HG2 . 25370 1
124 . 1 1 9 9 LYS HG3 H 1 1.36 0.01 . 2 . . . . 9 LYS HG3 . 25370 1
125 . 1 1 9 9 LYS CA C 13 55.5 0.1 . 1 . . . . 9 LYS CA . 25370 1
126 . 1 1 9 9 LYS CB C 13 32.8 0.1 . 1 . . . . 9 LYS CB . 25370 1
127 . 1 1 9 9 LYS CE C 13 41.3 0.1 . 1 . . . . 9 LYS CE . 25370 1
128 . 1 1 9 9 LYS CG C 13 24.2 0.1 . 1 . . . . 9 LYS CG . 25370 1
129 . 1 1 10 10 LYS H H 1 8.3 0.01 . 1 . . . . 10 LYS H . 25370 1
130 . 1 1 10 10 LYS HA H 1 4.45 0.01 . 1 . . . . 10 LYS HA . 25370 1
131 . 1 1 10 10 LYS HB2 H 1 1.72 0.01 . 2 . . . . 10 LYS HB2 . 25370 1
132 . 1 1 10 10 LYS HB3 H 1 1.82 0.01 . 2 . . . . 10 LYS HB3 . 25370 1
133 . 1 1 10 10 LYS HD2 H 1 1.69 0.01 . 2 . . . . 10 LYS HD2 . 25370 1
134 . 1 1 10 10 LYS HD3 H 1 1.69 0.01 . 2 . . . . 10 LYS HD3 . 25370 1
135 . 1 1 10 10 LYS HE2 H 1 2.98 0.01 . 2 . . . . 10 LYS HE2 . 25370 1
136 . 1 1 10 10 LYS HE3 H 1 2.98 0.01 . 2 . . . . 10 LYS HE3 . 25370 1
137 . 1 1 10 10 LYS HG2 H 1 1.46 0.01 . 2 . . . . 10 LYS HG2 . 25370 1
138 . 1 1 10 10 LYS HG3 H 1 1.46 0.01 . 2 . . . . 10 LYS HG3 . 25370 1
139 . 1 1 10 10 LYS CA C 13 54.1 0.1 . 1 . . . . 10 LYS CA . 25370 1
140 . 1 1 10 10 LYS CB C 13 32.1 0.1 . 1 . . . . 10 LYS CB . 25370 1
141 . 1 1 10 10 LYS CD C 13 28.8 0.1 . 1 . . . . 10 LYS CD . 25370 1
142 . 1 1 10 10 LYS CE C 13 41.3 0.1 . 1 . . . . 10 LYS CE . 25370 1
143 . 1 1 10 10 LYS CG C 13 24.3 0.1 . 1 . . . . 10 LYS CG . 25370 1
144 . 1 1 11 11 PRO HA H 1 4.42 0.01 . 1 . . . . 11 PRO HA . 25370 1
145 . 1 1 11 11 PRO HB2 H 1 1.86 0.01 . 2 . . . . 11 PRO HB2 . 25370 1
146 . 1 1 11 11 PRO HB3 H 1 2.27 0.01 . 2 . . . . 11 PRO HB3 . 25370 1
147 . 1 1 11 11 PRO HD2 H 1 3.63 0.01 . 2 . . . . 11 PRO HD2 . 25370 1
148 . 1 1 11 11 PRO HD3 H 1 3.87 0.01 . 2 . . . . 11 PRO HD3 . 25370 1
149 . 1 1 11 11 PRO HG2 H 1 1.99 0.01 . 2 . . . . 11 PRO HG2 . 25370 1
150 . 1 1 11 11 PRO HG3 H 1 2.02 0.01 . 2 . . . . 11 PRO HG3 . 25370 1
151 . 1 1 11 11 PRO CA C 13 62.8 0.1 . 1 . . . . 11 PRO CA . 25370 1
152 . 1 1 11 11 PRO CB C 13 31.6 0.1 . 1 . . . . 11 PRO CB . 25370 1
153 . 1 1 11 11 PRO CD C 13 50.2 0.1 . 1 . . . . 11 PRO CD . 25370 1
154 . 1 1 11 11 PRO CG C 13 27 0.1 . 1 . . . . 11 PRO CG . 25370 1
155 . 1 1 12 12 MET H H 1 8.45 0.01 . 1 . . . . 12 MET H . 25370 1
156 . 1 1 12 12 MET HA H 1 4.47 0.01 . 1 . . . . 12 MET HA . 25370 1
157 . 1 1 12 12 MET HB2 H 1 1.98 0.01 . 2 . . . . 12 MET HB2 . 25370 1
158 . 1 1 12 12 MET HB3 H 1 1.98 0.01 . 2 . . . . 12 MET HB3 . 25370 1
159 . 1 1 12 12 MET HE1 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1
160 . 1 1 12 12 MET HE2 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1
161 . 1 1 12 12 MET HE3 H 1 2.02 0.01 . 1 . . . . 12 MET HE . 25370 1
162 . 1 1 12 12 MET HG2 H 1 2.48 0.01 . 2 . . . . 12 MET HG2 . 25370 1
163 . 1 1 12 12 MET HG3 H 1 2.52 0.01 . 2 . . . . 12 MET HG3 . 25370 1
164 . 1 1 12 12 MET CA C 13 55.1 0.1 . 1 . . . . 12 MET CA . 25370 1
165 . 1 1 12 12 MET CB C 13 33 0.1 . 1 . . . . 12 MET CB . 25370 1
166 . 1 1 12 12 MET CE C 13 16.6 0.1 . 1 . . . . 12 MET CE . 25370 1
167 . 1 1 12 12 MET CG C 13 31.6 0.1 . 1 . . . . 12 MET CG . 25370 1
168 . 1 1 13 13 VAL H H 1 8.21 0.01 . 1 . . . . 13 VAL H . 25370 1
169 . 1 1 13 13 VAL HA H 1 4.15 0.01 . 1 . . . . 13 VAL HA . 25370 1
170 . 1 1 13 13 VAL HB H 1 2.04 0.01 . 1 . . . . 13 VAL HB . 25370 1
171 . 1 1 13 13 VAL HG11 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1
172 . 1 1 13 13 VAL HG12 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1
173 . 1 1 13 13 VAL HG13 H 1 0.88 0.01 . 2 . . . . 13 VAL HG1 . 25370 1
174 . 1 1 13 13 VAL HG21 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1
175 . 1 1 13 13 VAL HG22 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1
176 . 1 1 13 13 VAL HG23 H 1 0.88 0.01 . 2 . . . . 13 VAL HG2 . 25370 1
177 . 1 1 13 13 VAL CA C 13 61.6 0.1 . 1 . . . . 13 VAL CA . 25370 1
178 . 1 1 13 13 VAL CB C 13 32.6 0.1 . 1 . . . . 13 VAL CB . 25370 1
179 . 1 1 13 13 VAL CG1 C 13 20 0.1 . 1 . . . . 13 VAL CG1 . 25370 1
180 . 1 1 13 13 VAL CG2 C 13 20.8 0.1 . 1 . . . . 13 VAL CG2 . 25370 1
181 . 1 1 14 14 ILE H H 1 8.33 0.01 . 1 . . . . 14 ILE H . 25370 1
182 . 1 1 14 14 ILE HA H 1 4.12 0.01 . 1 . . . . 14 ILE HA . 25370 1
183 . 1 1 14 14 ILE HB H 1 1.9 0.01 . 1 . . . . 14 ILE HB . 25370 1
184 . 1 1 14 14 ILE HD11 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1
185 . 1 1 14 14 ILE HD12 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1
186 . 1 1 14 14 ILE HD13 H 1 0.86 0.01 . 1 . . . . 14 ILE HD1 . 25370 1
187 . 1 1 14 14 ILE HG12 H 1 1.17 0.01 . 2 . . . . 14 ILE HG12 . 25370 1
188 . 1 1 14 14 ILE HG13 H 1 1.53 0.01 . 2 . . . . 14 ILE HG13 . 25370 1
189 . 1 1 14 14 ILE HG21 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1
190 . 1 1 14 14 ILE HG22 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1
191 . 1 1 14 14 ILE HG23 H 1 0.92 0.01 . 1 . . . . 14 ILE HG2 . 25370 1
192 . 1 1 14 14 ILE CA C 13 60.8 0.1 . 1 . . . . 14 ILE CA . 25370 1
193 . 1 1 14 14 ILE CB C 13 38.2 0.1 . 1 . . . . 14 ILE CB . 25370 1
194 . 1 1 14 14 ILE CD1 C 13 12.6 0.1 . 1 . . . . 14 ILE CD1 . 25370 1
195 . 1 1 14 14 ILE CG1 C 13 27 0.1 . 1 . . . . 14 ILE CG1 . 25370 1
196 . 1 1 14 14 ILE CG2 C 13 17.3 0.1 . 1 . . . . 14 ILE CG2 . 25370 1
197 . 1 1 15 15 GLY H H 1 8.51 0.01 . 1 . . . . 15 GLY H . 25370 1
198 . 1 1 15 15 GLY HA2 H 1 3.92 0.01 . 2 . . . . 15 GLY HA2 . 25370 1
199 . 1 1 15 15 GLY HA3 H 1 3.92 0.01 . 2 . . . . 15 GLY HA3 . 25370 1
200 . 1 1 15 15 GLY CA C 13 45 0.1 . 1 . . . . 15 GLY CA . 25370 1
201 . 1 1 16 16 VAL H H 1 7.82 0.01 . 1 . . . . 16 VAL H . 25370 1
202 . 1 1 16 16 VAL HA H 1 4.23 0.01 . 1 . . . . 16 VAL HA . 25370 1
203 . 1 1 16 16 VAL HB H 1 2.08 0.01 . 1 . . . . 16 VAL HB . 25370 1
204 . 1 1 16 16 VAL HG11 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1
205 . 1 1 16 16 VAL HG12 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1
206 . 1 1 16 16 VAL HG13 H 1 0.9 0.01 . 2 . . . . 16 VAL HG1 . 25370 1
207 . 1 1 16 16 VAL HG21 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1
208 . 1 1 16 16 VAL HG22 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1
209 . 1 1 16 16 VAL HG23 H 1 0.91 0.01 . 2 . . . . 16 VAL HG2 . 25370 1
210 . 1 1 16 16 VAL CA C 13 61.2 0.1 . 1 . . . . 16 VAL CA . 25370 1
211 . 1 1 16 16 VAL CB C 13 32.9 0.1 . 1 . . . . 16 VAL CB . 25370 1
212 . 1 1 16 16 VAL CG1 C 13 20.3 0.1 . 1 . . . . 16 VAL CG1 . 25370 1
213 . 1 1 16 16 VAL CG2 C 13 20.9 0.1 . 1 . . . . 16 VAL CG2 . 25370 1
214 . 1 1 17 17 THR H H 1 8.3 0.01 . 1 . . . . 17 THR H . 25370 1
215 . 1 1 17 17 THR HA H 1 4.33 0.01 . 1 . . . . 17 THR HA . 25370 1
216 . 1 1 17 17 THR HB H 1 4.05 0.01 . 1 . . . . 17 THR HB . 25370 1
217 . 1 1 17 17 THR HG21 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1
218 . 1 1 17 17 THR HG22 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1
219 . 1 1 17 17 THR HG23 H 1 1.11 0.01 . 1 . . . . 17 THR HG2 . 25370 1
220 . 1 1 17 17 THR CA C 13 61.4 0.1 . 1 . . . . 17 THR CA . 25370 1
221 . 1 1 17 17 THR CB C 13 69.2 0.1 . 1 . . . . 17 THR CB . 25370 1
222 . 1 1 17 17 THR CG2 C 13 21.1 0.1 . 1 . . . . 17 THR CG2 . 25370 1
223 . 1 1 18 18 ILE H H 1 8.29 0.01 . 1 . . . . 18 ILE H . 25370 1
224 . 1 1 18 18 ILE HA H 1 4.33 0.01 . 1 . . . . 18 ILE HA . 25370 1
225 . 1 1 18 18 ILE HB H 1 1.85 0.01 . 1 . . . . 18 ILE HB . 25370 1
226 . 1 1 18 18 ILE HD11 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1
227 . 1 1 18 18 ILE HD12 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1
228 . 1 1 18 18 ILE HD13 H 1 0.83 0.01 . 1 . . . . 18 ILE HD1 . 25370 1
229 . 1 1 18 18 ILE HG12 H 1 1.17 0.01 . 2 . . . . 18 ILE HG12 . 25370 1
230 . 1 1 18 18 ILE HG13 H 1 1.53 0.01 . 2 . . . . 18 ILE HG13 . 25370 1
231 . 1 1 18 18 ILE HG21 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1
232 . 1 1 18 18 ILE HG22 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1
233 . 1 1 18 18 ILE HG23 H 1 0.83 0.01 . 1 . . . . 18 ILE HG2 . 25370 1
234 . 1 1 18 18 ILE CA C 13 57.9 0.1 . 1 . . . . 18 ILE CA . 25370 1
235 . 1 1 18 18 ILE CB C 13 37.9 0.1 . 1 . . . . 18 ILE CB . 25370 1
236 . 1 1 18 18 ILE CD1 C 13 12.2 0.1 . 1 . . . . 18 ILE CD1 . 25370 1
237 . 1 1 18 18 ILE CG1 C 13 26.8 0.1 . 1 . . . . 18 ILE CG1 . 25370 1
238 . 1 1 18 18 ILE CG2 C 13 17 0.1 . 1 . . . . 18 ILE CG2 . 25370 1
239 . 1 1 19 19 PRO HA H 1 4.42 0.01 . 1 . . . . 19 PRO HA . 25370 1
240 . 1 1 19 19 PRO HB2 H 1 1.83 0.01 . 2 . . . . 19 PRO HB2 . 25370 1
241 . 1 1 19 19 PRO HB3 H 1 2.08 0.01 . 2 . . . . 19 PRO HB3 . 25370 1
242 . 1 1 19 19 PRO HD2 H 1 3.45 0.01 . 2 . . . . 19 PRO HD2 . 25370 1
243 . 1 1 19 19 PRO HD3 H 1 3.87 0.01 . 2 . . . . 19 PRO HD3 . 25370 1
244 . 1 1 19 19 PRO HG2 H 1 1.77 0.01 . 2 . . . . 19 PRO HG2 . 25370 1
245 . 1 1 19 19 PRO HG3 H 1 1.92 0.01 . 2 . . . . 19 PRO HG3 . 25370 1
246 . 1 1 19 19 PRO CA C 13 62.8 0.1 . 1 . . . . 19 PRO CA . 25370 1
247 . 1 1 19 19 PRO CB C 13 30.8 0.1 . 1 . . . . 19 PRO CB . 25370 1
248 . 1 1 19 19 PRO CD C 13 50.3 0.1 . 1 . . . . 19 PRO CD . 25370 1
249 . 1 1 19 19 PRO CG C 13 26.7 0.1 . 1 . . . . 19 PRO CG . 25370 1
250 . 1 1 20 20 PHE H H 1 7.7 0.01 . 1 . . . . 20 PHE H . 25370 1
251 . 1 1 20 20 PHE HA H 1 4.57 0.01 . 1 . . . . 20 PHE HA . 25370 1
252 . 1 1 20 20 PHE HB2 H 1 3.02 0.01 . 2 . . . . 20 PHE HB2 . 25370 1
253 . 1 1 20 20 PHE HB3 H 1 3.16 0.01 . 2 . . . . 20 PHE HB3 . 25370 1
254 . 1 1 20 20 PHE HD1 H 1 7.24 0.01 . 3 . . . . 20 PHE HD1 . 25370 1
255 . 1 1 20 20 PHE HD2 H 1 7.24 0.01 . 3 . . . . 20 PHE HD2 . 25370 1
256 . 1 1 20 20 PHE CA C 13 56.5 0.1 . 1 . . . . 20 PHE CA . 25370 1
257 . 1 1 20 20 PHE CB C 13 39.5 0.1 . 1 . . . . 20 PHE CB . 25370 1
stop_
save_