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 50900
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 16x_mdm2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details .
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
1 '2D 1H-15N HSQC' . . . 50900 1
2 '2D 1H-13C HSQC' . . . 50900 1
3 '2D 1H-1H NOESY' . . . 50900 1
4 '2D 1H-1H COSY' . . . 50900 1
5 '2D 1H-1H TOCSY' . . . 50900 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 . . 50900 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 GLY H H 1 7.927 0.01 . . . . . . . 1 GLY H . 50900 1
2 . 1 . 1 1 1 GLY HA2 H 1 3.838 0.00 . . . . . . . 1 GLY HA2 . 50900 1
3 . 1 . 1 1 1 GLY CA C 13 42.847 0.00 . . . . . . . 1 GLY CA . 50900 1
4 . 1 . 1 1 1 GLY N N 15 112.664 0.00 . . . . . . . 1 GLY N . 50900 1
5 . 1 . 1 2 2 CYS H H 1 8.133 0.00 . . . . . . . 2 CYS H . 50900 1
6 . 1 . 1 2 2 CYS HA H 1 4.584 0.00 . . . . . . . 2 CYS HA . 50900 1
7 . 1 . 1 2 2 CYS HB2 H 1 3.178 0.01 . . . . . . . 2 CYS HB2 . 50900 1
8 . 1 . 1 2 2 CYS HB3 H 1 2.902 0.01 . . . . . . . 2 CYS HB3 . 50900 1
9 . 1 . 1 2 2 CYS CB C 13 38.331 0.04 . . . . . . . 2 CYS CB . 50900 1
10 . 1 . 1 3 3 GLU H H 1 8.082 0.00 . . . . . . . 3 GLU H . 50900 1
11 . 1 . 1 3 3 GLU HA H 1 4.254 0.00 . . . . . . . 3 GLU HA . 50900 1
12 . 1 . 1 3 3 GLU HB2 H 1 2.029 0.00 . . . . . . . 3 GLU HB2 . 50900 1
13 . 1 . 1 3 3 GLU HB3 H 1 1.906 0.00 . . . . . . . 3 GLU HB3 . 50900 1
14 . 1 . 1 3 3 GLU HG2 H 1 2.375 0.00 . . . . . . . 3 GLU HG2 . 50900 1
15 . 1 . 1 3 3 GLU CA C 13 53.593 0.00 . . . . . . . 3 GLU CA . 50900 1
16 . 1 . 1 3 3 GLU CB C 13 25.963 0.01 . . . . . . . 3 GLU CB . 50900 1
17 . 1 . 1 3 3 GLU CG C 13 30.102 0.00 . . . . . . . 3 GLU CG . 50900 1
18 . 1 . 1 3 3 GLU N N 15 120.553 0.00 . . . . . . . 3 GLU N . 50900 1
19 . 1 . 1 4 4 LYS H H 1 7.929 0.00 . . . . . . . 4 LYS H . 50900 1
20 . 1 . 1 4 4 LYS HA H 1 4.210 0.01 . . . . . . . 4 LYS HA . 50900 1
21 . 1 . 1 4 4 LYS HB2 H 1 1.325 0.01 . . . . . . . 4 LYS HB2 . 50900 1
22 . 1 . 1 4 4 LYS HG2 H 1 1.548 0.30 . . . . . . . 4 LYS HG2 . 50900 1
23 . 1 . 1 4 4 LYS HG3 H 1 0.914 0.00 . . . . . . . 4 LYS HG3 . 50900 1
24 . 1 . 1 4 4 LYS HD2 H 1 1.589 0.01 . . . . . . . 4 LYS HD2 . 50900 1
25 . 1 . 1 4 4 LYS HE2 H 1 2.892 0.00 . . . . . . . 4 LYS HE2 . 50900 1
26 . 1 . 1 4 4 LYS HZ1 H 1 7.344 0.00 . . . . . . . 4 LYS HZ1 . 50900 1
27 . 1 . 1 4 4 LYS HZ2 H 1 7.344 0.00 . . . . . . . 4 LYS HZ1 . 50900 1
28 . 1 . 1 4 4 LYS HZ3 H 1 7.344 0.00 . . . . . . . 4 LYS HZ1 . 50900 1
29 . 1 . 1 4 4 LYS CA C 13 53.640 0.00 . . . . . . . 4 LYS CA . 50900 1
30 . 1 . 1 4 4 LYS CB C 13 22.037 0.00 . . . . . . . 4 LYS CB . 50900 1
31 . 1 . 1 4 4 LYS CG C 13 24.617 0.05 . . . . . . . 4 LYS CG . 50900 1
32 . 1 . 1 4 4 LYS CD C 13 26.387 0.00 . . . . . . . 4 LYS CD . 50900 1
33 . 1 . 1 4 4 LYS N N 15 120.645 0.00 . . . . . . . 4 LYS N . 50900 1
34 . 1 . 1 5 5 ALA H H 1 8.074 0.00 . . . . . . . 5 ALA H . 50900 1
35 . 1 . 1 5 5 ALA HA H 1 4.255 0.00 . . . . . . . 5 ALA HA . 50900 1
36 . 1 . 1 5 5 ALA HB1 H 1 1.352 0.00 . . . . . . . 5 ALA HB2 . 50900 1
37 . 1 . 1 5 5 ALA HB2 H 1 1.352 0.00 . . . . . . . 5 ALA HB2 . 50900 1
38 . 1 . 1 5 5 ALA HB3 H 1 1.352 0.00 . . . . . . . 5 ALA HB2 . 50900 1
39 . 1 . 1 5 5 ALA CA C 13 50.341 0.00 . . . . . . . 5 ALA CA . 50900 1
40 . 1 . 1 5 5 ALA CB C 13 16.693 0.00 . . . . . . . 5 ALA CB . 50900 1
41 . 1 . 1 5 5 ALA N N 15 123.713 0.00 . . . . . . . 5 ALA N . 50900 1
42 . 1 . 1 6 6 THR H H 1 7.641 0.00 . . . . . . . 6 THR HN . 50900 1
43 . 1 . 1 6 6 THR HA H 1 4.279 0.00 . . . . . . . 6 THR HA . 50900 1
44 . 1 . 1 6 6 THR HB H 1 3.554 0.00 . . . . . . . 6 THR HB . 50900 1
45 . 1 . 1 6 6 THR HG21 H 1 1.110 0.01 . . . . . . . 6 THR HG21 . 50900 1
46 . 1 . 1 6 6 THR HG22 H 1 1.110 0.01 . . . . . . . 6 THR HG21 . 50900 1
47 . 1 . 1 6 6 THR HG23 H 1 1.110 0.01 . . . . . . . 6 THR HG21 . 50900 1
48 . 1 . 1 6 6 THR CA C 13 58.843 0.00 . . . . . . . 6 THR CA . 50900 1
49 . 1 . 1 6 6 THR CB C 13 57.280 0.00 . . . . . . . 6 THR CB . 50900 1
50 . 1 . 1 6 6 THR CG2 C 13 18.957 0.00 . . . . . . . 6 THR CG2 . 50900 1
51 . 1 . 1 6 6 THR N N 15 109.587 0.00 . . . . . . . 6 THR N . 50900 1
52 . 1 . 1 7 7 GLU H H 1 8.070 0.00 . . . . . . . 7 GLU H . 50900 1
53 . 1 . 1 7 7 GLU HA H 1 4.183 0.00 . . . . . . . 7 GLU HA . 50900 1
54 . 1 . 1 7 7 GLU HB2 H 1 2.085 0.01 . . . . . . . 7 GLU HB2 . 50900 1
55 . 1 . 1 7 7 GLU HB3 H 1 1.950 0.00 . . . . . . . 7 GLU HB3 . 50900 1
56 . 1 . 1 7 7 GLU HG2 H 1 2.389 0.00 . . . . . . . 7 GLU HG2 . 50900 1
57 . 1 . 1 7 7 GLU CA C 13 54.145 0.00 . . . . . . . 7 GLU CA . 50900 1
58 . 1 . 1 7 7 GLU CB C 13 25.592 0.01 . . . . . . . 7 GLU CB . 50900 1
59 . 1 . 1 7 7 GLU N N 15 119.237 0.00 . . . . . . . 7 GLU N . 50900 1
60 . 1 . 1 8 8 SER H H 1 7.787 0.00 . . . . . . . 8 SER H . 50900 1
61 . 1 . 1 8 8 SER HA H 1 4.316 0.00 . . . . . . . 8 SER HA . 50900 1
62 . 1 . 1 8 8 SER HB2 H 1 3.790 0.01 . . . . . . . 8 SER HB2 . 50900 1
63 . 1 . 1 8 8 SER HB3 H 1 3.724 0.00 . . . . . . . 8 SER HB3 . 50900 1
64 . 1 . 1 8 8 SER CA C 13 55.761 0.00 . . . . . . . 8 SER CA . 50900 1
65 . 1 . 1 8 8 SER CB C 13 61.298 0.00 . . . . . . . 8 SER CB . 50900 1
66 . 1 . 1 8 8 SER N N 15 112.571 0.00 . . . . . . . 8 SER N . 50900 1
67 . 1 . 1 9 9 GLU H H 1 7.708 0.00 . . . . . . . 9 GLU H . 50900 1
68 . 1 . 1 9 9 GLU HA H 1 4.299 0.00 . . . . . . . 9 GLU HA . 50900 1
69 . 1 . 1 9 9 GLU HB2 H 1 2.027 0.00 . . . . . . . 9 GLU HB2 . 50900 1
70 . 1 . 1 9 9 GLU HB3 H 1 1.880 0.01 . . . . . . . 9 GLU HB3 . 50900 1
71 . 1 . 1 9 9 GLU HG2 H 1 2.357 0.00 . . . . . . . 9 GLU HG2 . 50900 1
72 . 1 . 1 9 9 GLU CA C 13 52.938 0.00 . . . . . . . 9 GLU CA . 50900 1
73 . 1 . 1 9 9 GLU CB C 13 26.426 0.00 . . . . . . . 9 GLU CB . 50900 1
74 . 1 . 1 9 9 GLU N N 15 119.786 0.00 . . . . . . . 9 GLU N . 50900 1
75 . 1 . 1 10 10 SER H H 1 7.971 0.00 . . . . . . . 10 SER H . 50900 1
76 . 1 . 1 10 10 SER HA H 1 4.675 0.00 . . . . . . . 10 SER HA . 50900 1
77 . 1 . 1 10 10 SER HB2 H 1 3.703 0.00 . . . . . . . 10 SER HB2 . 50900 1
78 . 1 . 1 10 10 SER CA C 13 52.851 0.00 . . . . . . . 10 SER CA . 50900 1
79 . 1 . 1 10 10 SER CB C 13 61.337 0.00 . . . . . . . 10 SER CB . 50900 1
80 . 1 . 1 10 10 SER N N 15 115.762 0.00 . . . . . . . 10 SER N . 50900 1
81 . 1 . 1 11 11 PRO HA H 1 4.306 0.00 . . . . . . . 11 PRO HA . 50900 1
82 . 1 . 1 11 11 PRO HB2 H 1 2.168 0.00 . . . . . . . 11 PRO HB2 . 50900 1
83 . 1 . 1 11 11 PRO HB3 H 1 1.867 0.02 . . . . . . . 11 PRO HB3 . 50900 1
84 . 1 . 1 11 11 PRO HD2 H 1 3.689 0.00 . . . . . . . 11 PRO HD2 . 50900 1
85 . 1 . 1 11 11 PRO HD3 H 1 3.621 0.00 . . . . . . . 11 PRO HD3 . 50900 1
86 . 1 . 1 11 11 PRO CA C 13 60.736 0.00 . . . . . . . 11 PRO CA . 50900 1
87 . 1 . 1 11 11 PRO CB C 13 29.288 0.01 . . . . . . . 11 PRO CB . 50900 1
88 . 1 . 1 11 11 PRO CD C 13 47.849 0.04 . . . . . . . 11 PRO CD . 50900 1
89 . 1 . 1 12 12 CYS H H 1 7.990 0.00 . . . . . . . 12 CYS H . 50900 1
90 . 1 . 1 12 12 CYS HA H 1 4.763 0.00 . . . . . . . 12 CYS HA . 50900 1
91 . 1 . 1 12 12 CYS HB2 H 1 3.027 0.01 . . . . . . . 12 CYS HB2 . 50900 1
92 . 1 . 1 12 12 CYS HB3 H 1 2.901 0.01 . . . . . . . 12 CYS HB3 . 50900 1
93 . 1 . 1 12 12 CYS CA C 13 49.794 0.00 . . . . . . . 12 CYS CA . 50900 1
94 . 1 . 1 12 12 CYS CB C 13 39.422 0.04 . . . . . . . 12 CYS CB . 50900 1
95 . 1 . 1 13 13 PRO HA H 1 4.675 0.00 . . . . . . . 13 PRO HA . 50900 1
96 . 1 . 1 13 13 PRO HG2 H 1 2.012 0.00 . . . . . . . 13 PRO HG2 . 50900 1
97 . 1 . 1 13 13 PRO HG3 H 1 1.805 0.00 . . . . . . . 13 PRO HG3 . 50900 1
98 . 1 . 1 13 13 PRO HD2 H 1 3.877 0.00 . . . . . . . 13 PRO HD2 . 50900 1
99 . 1 . 1 13 13 PRO HD3 H 1 3.710 0.00 . . . . . . . 13 PRO HD3 . 50900 1
100 . 1 . 1 13 13 PRO CA C 13 53.397 0.00 . . . . . . . 13 PRO CA . 50900 1
101 . 1 . 1 13 13 PRO CG C 13 24.126 0.01 . . . . . . . 13 PRO CG . 50900 1
102 . 1 . 1 13 13 PRO CD C 13 48.151 0.00 . . . . . . . 13 PRO CD . 50900 1
103 . 1 . 1 14 14 CYS H H 1 7.080 0.00 . . . . . . . 14 CYS H . 50900 1
104 . 1 . 1 14 14 CYS HA H 1 4.598 0.01 . . . . . . . 14 CYS HA . 50900 1
105 . 1 . 1 14 14 CYS HB2 H 1 2.979 0.00 . . . . . . . 14 CYS HB2 . 50900 1
106 . 1 . 1 14 14 CYS CA C 13 52.587 0.00 . . . . . . . 14 CYS CA . 50900 1
107 . 1 . 1 14 14 CYS CB C 13 41.137 0.00 . . . . . . . 14 CYS CB . 50900 1
108 . 1 . 1 14 14 CYS N N 15 121.017 0.00 . . . . . . . 14 CYS N . 50900 1
109 . 1 . 1 15 15 ILE H H 1 7.921 0.00 . . . . . . . 15 ILE H . 50900 1
110 . 1 . 1 15 15 ILE HA H 1 3.570 0.00 . . . . . . . 15 ILE HA . 50900 1
111 . 1 . 1 15 15 ILE HB H 1 1.431 0.01 . . . . . . . 15 ILE HB . 50900 1
112 . 1 . 1 15 15 ILE HG12 H 1 1.191 0.00 . . . . . . . 15 ILE HG11 . 50900 1
113 . 1 . 1 15 15 ILE HG13 H 1 0.990 0.12 . . . . . . . 15 ILE HG12 . 50900 1
114 . 1 . 1 15 15 ILE HG21 H 1 0.374 0.00 . . . . . . . 15 ILE HG21 . 50900 1
115 . 1 . 1 15 15 ILE HG22 H 1 0.374 0.00 . . . . . . . 15 ILE HG21 . 50900 1
116 . 1 . 1 15 15 ILE HG23 H 1 0.374 0.00 . . . . . . . 15 ILE HG21 . 50900 1
117 . 1 . 1 15 15 ILE HD11 H 1 0.708 0.00 . . . . . . . 15 ILE HD11 . 50900 1
118 . 1 . 1 15 15 ILE HD12 H 1 0.708 0.00 . . . . . . . 15 ILE HD11 . 50900 1
119 . 1 . 1 15 15 ILE HD13 H 1 0.708 0.00 . . . . . . . 15 ILE HD11 . 50900 1
120 . 1 . 1 15 15 ILE CA C 13 60.921 0.00 . . . . . . . 15 ILE CA . 50900 1
121 . 1 . 1 15 15 ILE CB C 13 35.244 0.00 . . . . . . . 15 ILE CB . 50900 1
122 . 1 . 1 15 15 ILE CG1 C 13 25.174 0.02 . . . . . . . 15 ILE CG1 . 50900 1
123 . 1 . 1 15 15 ILE CG2 C 13 14.274 0.00 . . . . . . . 15 ILE CG2 . 50900 1
124 . 1 . 1 15 15 ILE CD1 C 13 10.472 0.00 . . . . . . . 15 ILE CD1 . 50900 1
125 . 1 . 1 15 15 ILE N N 15 122.816 0.00 . . . . . . . 15 ILE N . 50900 1
126 . 1 . 1 16 16 PHE H H 1 7.101 0.01 . . . . . . . 16 PHE H . 50900 1
127 . 1 . 1 16 16 PHE HA H 1 5.082 0.00 . . . . . . . 16 PHE HA . 50900 1
128 . 1 . 1 16 16 PHE HB2 H 1 2.963 0.00 . . . . . . . 16 PHE HB2 . 50900 1
129 . 1 . 1 16 16 PHE HD2 H 1 7.525 0.00 . . . . . . . 16 PHE HD2 . 50900 1
130 . 1 . 1 16 16 PHE HE2 H 1 7.452 0.05 . . . . . . . 16 PHE HE2 . 50900 1
131 . 1 . 1 16 16 PHE HZ H 1 7.123 0.00 . . . . . . . 16 PHE HZ . 50900 1
132 . 1 . 1 16 16 PHE CA C 13 51.086 0.00 . . . . . . . 16 PHE CA . 50900 1
133 . 1 . 1 16 16 PHE CB C 13 36.022 0.00 . . . . . . . 16 PHE CB . 50900 1
134 . 1 . 1 17 17 PRO HA H 1 3.914 0.00 . . . . . . . 17 PRO HA . 50900 1
135 . 1 . 1 17 17 PRO HB2 H 1 2.510 0.00 . . . . . . . 17 PRO HB2 . 50900 1
136 . 1 . 1 17 17 PRO HB3 H 1 1.931 0.00 . . . . . . . 17 PRO HB3 . 50900 1
137 . 1 . 1 17 17 PRO HD2 H 1 3.815 0.00 . . . . . . . 17 PRO HD2 . 50900 1
138 . 1 . 1 17 17 PRO HD3 H 1 3.792 0.01 . . . . . . . 17 PRO HD3 . 50900 1
139 . 1 . 1 17 17 PRO CA C 13 63.341 0.00 . . . . . . . 17 PRO CA . 50900 1
140 . 1 . 1 17 17 PRO CB C 13 30.059 0.01 . . . . . . . 17 PRO CB . 50900 1
141 . 1 . 1 17 17 PRO CD C 13 48.203 0.01 . . . . . . . 17 PRO CD . 50900 1
142 . 1 . 1 18 18 GLU H H 1 8.126 0.00 . . . . . . . 18 GLU H . 50900 1
143 . 1 . 1 18 18 GLU HA H 1 3.972 0.01 . . . . . . . 18 GLU HA . 50900 1
144 . 1 . 1 18 18 GLU HB2 H 1 1.998 0.00 . . . . . . . 18 GLU HB2 . 50900 1
145 . 1 . 1 18 18 GLU HB3 H 1 1.933 0.00 . . . . . . . 18 GLU HB3 . 50900 1
146 . 1 . 1 18 18 GLU HG2 H 1 2.426 0.01 . . . . . . . 18 GLU HG2 . 50900 1
147 . 1 . 1 18 18 GLU CA C 13 54.980 0.00 . . . . . . . 18 GLU CA . 50900 1
148 . 1 . 1 18 18 GLU CB C 13 24.707 0.02 . . . . . . . 18 GLU CB . 50900 1
149 . 1 . 1 18 18 GLU CG C 13 30.471 0.00 . . . . . . . 18 GLU CG . 50900 1
150 . 1 . 1 18 18 GLU N N 15 113.246 0.00 . . . . . . . 18 GLU N . 50900 1
151 . 1 . 1 19 19 LEU H H 1 7.830 0.00 . . . . . . . 19 LEU H . 50900 1
152 . 1 . 1 19 19 LEU HA H 1 4.320 0.00 . . . . . . . 19 LEU HA . 50900 1
153 . 1 . 1 19 19 LEU HB2 H 1 2.002 0.00 . . . . . . . 19 LEU HB2 . 50900 1
154 . 1 . 1 19 19 LEU HB3 H 1 1.767 0.00 . . . . . . . 19 LEU HB3 . 50900 1
155 . 1 . 1 19 19 LEU HG H 1 1.597 0.00 . . . . . . . 19 LEU HG . 50900 1
156 . 1 . 1 19 19 LEU HD11 H 1 0.952 0.00 . . . . . . . 19 LEU HD11 . 50900 1
157 . 1 . 1 19 19 LEU HD12 H 1 0.952 0.00 . . . . . . . 19 LEU HD11 . 50900 1
158 . 1 . 1 19 19 LEU HD13 H 1 0.952 0.00 . . . . . . . 19 LEU HD11 . 50900 1
159 . 1 . 1 19 19 LEU HD21 H 1 0.802 0.00 . . . . . . . 19 LEU HD21 . 50900 1
160 . 1 . 1 19 19 LEU HD22 H 1 0.802 0.00 . . . . . . . 19 LEU HD21 . 50900 1
161 . 1 . 1 19 19 LEU HD23 H 1 0.802 0.00 . . . . . . . 19 LEU HD21 . 50900 1
162 . 1 . 1 19 19 LEU CA C 13 51.669 0.00 . . . . . . . 19 LEU CA . 50900 1
163 . 1 . 1 19 19 LEU CB C 13 38.671 0.01 . . . . . . . 19 LEU CB . 50900 1
164 . 1 . 1 19 19 LEU CG C 13 24.637 0.00 . . . . . . . 19 LEU CG . 50900 1
165 . 1 . 1 19 19 LEU CD1 C 13 22.850 0.00 . . . . . . . 19 LEU CD1 . 50900 1
166 . 1 . 1 19 19 LEU CD2 C 13 19.617 0.00 . . . . . . . 19 LEU CD2 . 50900 1
167 . 1 . 1 19 19 LEU N N 15 115.551 0.00 . . . . . . . 19 LEU N . 50900 1
168 . 1 . 1 20 20 CYS H H 1 7.445 0.01 . . . . . . . 20 CYS H . 50900 1
169 . 1 . 1 20 20 CYS HA H 1 4.447 0.00 . . . . . . . 20 CYS HA . 50900 1
170 . 1 . 1 20 20 CYS HB2 H 1 3.010 0.01 . . . . . . . 20 CYS HB2 . 50900 1
171 . 1 . 1 20 20 CYS CA C 13 49.321 0.00 . . . . . . . 20 CYS CA . 50900 1
172 . 1 . 1 20 20 CYS CB C 13 40.971 0.00 . . . . . . . 20 CYS CB . 50900 1
173 . 1 . 1 20 20 CYS N N 15 115.424 0.00 . . . . . . . 20 CYS N . 50900 1
174 . 1 . 1 21 21 PRO HA H 1 4.119 0.00 . . . . . . . 21 PRO HA . 50900 1
175 . 1 . 1 21 21 PRO HB2 H 1 2.015 0.00 . . . . . . . 21 PRO HB2 . 50900 1
176 . 1 . 1 21 21 PRO HB3 H 1 1.518 0.00 . . . . . . . 21 PRO HB3 . 50900 1
177 . 1 . 1 21 21 PRO HG2 H 1 1.763 0.00 . . . . . . . 21 PRO HG2 . 50900 1
178 . 1 . 1 21 21 PRO HG3 H 1 1.407 0.01 . . . . . . . 21 PRO HG3 . 50900 1
179 . 1 . 1 21 21 PRO HD2 H 1 3.265 0.00 . . . . . . . 21 PRO HD2 . 50900 1
180 . 1 . 1 21 21 PRO CA C 13 61.757 0.00 . . . . . . . 21 PRO CA . 50900 1
181 . 1 . 1 21 21 PRO CB C 13 28.854 0.08 . . . . . . . 21 PRO CB . 50900 1
182 . 1 . 1 21 21 PRO CG C 13 24.299 0.02 . . . . . . . 21 PRO CG . 50900 1
183 . 1 . 1 21 21 PRO CD C 13 47.584 0.00 . . . . . . . 21 PRO CD . 50900 1
184 . 1 . 1 22 22 TRP H H 1 6.761 0.00 . . . . . . . 22 TRP H . 50900 1
185 . 1 . 1 22 22 TRP HA H 1 4.591 0.00 . . . . . . . 22 TRP HA . 50900 1
186 . 1 . 1 22 22 TRP HB2 H 1 3.325 0.00 . . . . . . . 22 TRP HB2 . 50900 1
187 . 1 . 1 22 22 TRP HB3 H 1 3.173 0.01 . . . . . . . 22 TRP HB3 . 50900 1
188 . 1 . 1 22 22 TRP HD1 H 1 7.054 0.01 . . . . . . . 22 TRP HD1 . 50900 1
189 . 1 . 1 22 22 TRP HE1 H 1 10.040 0.01 . . . . . . . 22 TRP HE1 . 50900 1
190 . 1 . 1 22 22 TRP HE3 H 1 7.255 0.00 . . . . . . . 22 TRP HE3 . 50900 1
191 . 1 . 1 22 22 TRP HZ2 H 1 7.191 0.00 . . . . . . . 22 TRP HZ2 . 50900 1
192 . 1 . 1 22 22 TRP HZ3 H 1 7.243 0.00 . . . . . . . 22 TRP HZ3 . 50900 1
193 . 1 . 1 22 22 TRP HH2 H 1 7.191 0.00 . . . . . . . 22 TRP HH2 . 50900 1
194 . 1 . 1 22 22 TRP CA C 13 54.311 0.00 . . . . . . . 22 TRP CA . 50900 1
195 . 1 . 1 22 22 TRP CB C 13 25.587 0.00 . . . . . . . 22 TRP CB . 50900 1
196 . 1 . 1 22 22 TRP N N 15 114.978 0.00 . . . . . . . 22 TRP N . 50900 1
197 . 1 . 1 22 22 TRP NE1 N 15 129.478 0.00 . . . . . . . 22 TRP NE1 . 50900 1
198 . 1 . 1 23 23 ILE H H 1 8.281 0.00 . . . . . . . 23 ILE H . 50900 1
199 . 1 . 1 23 23 ILE HA H 1 3.766 0.01 . . . . . . . 23 ILE HA . 50900 1
200 . 1 . 1 23 23 ILE HB H 1 1.017 0.00 . . . . . . . 23 ILE HB . 50900 1
201 . 1 . 1 23 23 ILE HG12 H 1 1.757 0.00 . . . . . . . 23 ILE HG12 . 50900 1
202 . 1 . 1 23 23 ILE HG13 H 1 1.615 0.00 . . . . . . . 23 ILE HG13 . 50900 1
203 . 1 . 1 23 23 ILE HG21 H 1 0.944 0.00 . . . . . . . 23 ILE HG21 . 50900 1
204 . 1 . 1 23 23 ILE HG22 H 1 0.944 0.00 . . . . . . . 23 ILE HG21 . 50900 1
205 . 1 . 1 23 23 ILE HG23 H 1 0.944 0.00 . . . . . . . 23 ILE HG21 . 50900 1
206 . 1 . 1 23 23 ILE HD11 H 1 0.841 0.01 . . . . . . . 23 ILE HD11 . 50900 1
207 . 1 . 1 23 23 ILE HD12 H 1 0.841 0.01 . . . . . . . 23 ILE HD11 . 50900 1
208 . 1 . 1 23 23 ILE HD13 H 1 0.841 0.01 . . . . . . . 23 ILE HD11 . 50900 1
209 . 1 . 1 23 23 ILE CA C 13 62.742 0.00 . . . . . . . 23 ILE CA . 50900 1
210 . 1 . 1 23 23 ILE CB C 13 18.854 0.00 . . . . . . . 23 ILE CB . 50900 1
211 . 1 . 1 23 23 ILE CG1 C 13 30.416 0.01 . . . . . . . 23 ILE CG1 . 50900 1
212 . 1 . 1 23 23 ILE CG2 C 13 18.263 0.00 . . . . . . . 23 ILE CG2 . 50900 1
213 . 1 . 1 23 23 ILE CD1 C 13 10.381 0.00 . . . . . . . 23 ILE CD1 . 50900 1
214 . 1 . 1 23 23 ILE N N 15 126.980 0.00 . . . . . . . 23 ILE N . 50900 1
215 . 1 . 1 24 24 VAL H H 1 7.076 0.00 . . . . . . . 24 VAL H . 50900 1
216 . 1 . 1 24 24 VAL HA H 1 4.190 0.00 . . . . . . . 24 VAL HA . 50900 1
217 . 1 . 1 24 24 VAL HB H 1 1.737 0.00 . . . . . . . 24 VAL HB . 50900 1
218 . 1 . 1 24 24 VAL HG11 H 1 0.909 0.00 . . . . . . . 24 VAL HG11 . 50900 1
219 . 1 . 1 24 24 VAL HG12 H 1 0.909 0.00 . . . . . . . 24 VAL HG11 . 50900 1
220 . 1 . 1 24 24 VAL HG13 H 1 0.909 0.00 . . . . . . . 24 VAL HG11 . 50900 1
221 . 1 . 1 24 24 VAL HG21 H 1 1.116 0.01 . . . . . . . 24 VAL HG21 . 50900 1
222 . 1 . 1 24 24 VAL HG22 H 1 1.116 0.01 . . . . . . . 24 VAL HG21 . 50900 1
223 . 1 . 1 24 24 VAL HG23 H 1 1.116 0.01 . . . . . . . 24 VAL HG21 . 50900 1
224 . 1 . 1 24 24 VAL CA C 13 57.950 0.00 . . . . . . . 24 VAL CA . 50900 1
225 . 1 . 1 24 24 VAL CB C 13 35.239 0.00 . . . . . . . 24 VAL CB . 50900 1
226 . 1 . 1 24 24 VAL CG1 C 13 15.334 0.00 . . . . . . . 24 VAL CG1 . 50900 1
227 . 1 . 1 24 24 VAL CG2 C 13 17.164 0.00 . . . . . . . 24 VAL CG2 . 50900 1
228 . 1 . 1 24 24 VAL N N 15 117.220 0.00 . . . . . . . 24 VAL N . 50900 1
229 . 1 . 1 25 25 CYS H H 1 8.047 0.00 . . . . . . . 25 CYS H . 50900 1
230 . 1 . 1 25 25 CYS HA H 1 4.537 0.01 . . . . . . . 25 CYS HA . 50900 1
231 . 1 . 1 25 25 CYS HB2 H 1 3.364 0.00 . . . . . . . 25 CYS HB2 . 50900 1
232 . 1 . 1 25 25 CYS CA C 13 52.803 0.00 . . . . . . . 25 CYS CA . 50900 1
233 . 1 . 1 25 25 CYS CB C 13 40.226 0.00 . . . . . . . 25 CYS CB . 50900 1
234 . 1 . 1 26 26 CYS H H 1 7.912 0.00 . . . . . . . 26 CYS H . 50900 1
235 . 1 . 1 26 26 CYS HA H 1 4.566 0.01 . . . . . . . 26 CYS HA . 50900 1
236 . 1 . 1 26 26 CYS HB2 H 1 3.179 0.00 . . . . . . . 26 CYS HB2 . 50900 1
237 . 1 . 1 26 26 CYS HB3 H 1 2.919 0.01 . . . . . . . 26 CYS HB3 . 50900 1
238 . 1 . 1 26 26 CYS CA C 13 53.379 0.00 . . . . . . . 26 CYS CA . 50900 1
239 . 1 . 1 26 26 CYS CB C 13 36.215 0.00 . . . . . . . 26 CYS CB . 50900 1
stop_
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