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 30323
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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-1H TOCSY' . . . 30323 1
2 '2D 1H-1H NOESY' . . . 30323 1
3 '2D 1H-15N HSQC' . . . 30323 1
4 '2D 1H-13C HSQC' . . . 30323 1
5 '2D DQF-COSY' . . . 30323 1
6 '2D 1H-1H E.COSY' . . . 30323 1
7 '2D 1H-1H TOCSY' . . . 30323 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 HA2 H 1 4.126 0.003 . . . . . . A 1 GLY HA2 . 30323 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.845 0.000 . . . . . . A 1 GLY HA3 . 30323 1
3 . 1 . 1 1 1 GLY H H 1 8.212 0.000 . . . . . . A 1 GLY H1 . 30323 1
4 . 1 . 1 1 1 GLY CA C 13 47.865 0.009 . . . . . . A 1 GLY CA . 30323 1
5 . 1 . 1 1 1 GLY N N 15 108.389 0.000 . . . . . . A 1 GLY N . 30323 1
6 . 1 . 1 2 2 GLY H H 1 8.113 0.000 . . . . . . A 2 GLY H . 30323 1
7 . 1 . 1 2 2 GLY HA2 H 1 3.954 0.000 . . . . . . A 2 GLY HA2 . 30323 1
8 . 1 . 1 2 2 GLY HA3 H 1 3.962 0.000 . . . . . . A 2 GLY HA3 . 30323 1
9 . 1 . 1 2 2 GLY CA C 13 47.049 0.000 . . . . . . A 2 GLY CA . 30323 1
10 . 1 . 1 2 2 GLY N N 15 108.131 0.000 . . . . . . A 2 GLY N . 30323 1
11 . 1 . 1 3 3 VAL H H 1 8.468 0.000 . . . . . . A 3 VAL H . 30323 1
12 . 1 . 1 3 3 VAL HA H 1 4.059 0.000 . . . . . . A 3 VAL HA . 30323 1
13 . 1 . 1 3 3 VAL HB H 1 1.992 0.006 . . . . . . A 3 VAL HB . 30323 1
14 . 1 . 1 3 3 VAL HG11 H 1 0.949 0.001 . . . . . . A 3 VAL HG11 . 30323 1
15 . 1 . 1 3 3 VAL HG12 H 1 0.949 0.001 . . . . . . A 3 VAL HG12 . 30323 1
16 . 1 . 1 3 3 VAL HG13 H 1 0.949 0.001 . . . . . . A 3 VAL HG13 . 30323 1
17 . 1 . 1 3 3 VAL HG21 H 1 0.849 0.000 . . . . . . A 3 VAL HG21 . 30323 1
18 . 1 . 1 3 3 VAL HG22 H 1 0.849 0.000 . . . . . . A 3 VAL HG22 . 30323 1
19 . 1 . 1 3 3 VAL HG23 H 1 0.849 0.000 . . . . . . A 3 VAL HG23 . 30323 1
20 . 1 . 1 3 3 VAL CA C 13 65.053 0.000 . . . . . . A 3 VAL CA . 30323 1
21 . 1 . 1 3 3 VAL CB C 13 35.365 0.000 . . . . . . A 3 VAL CB . 30323 1
22 . 1 . 1 3 3 VAL CG1 C 13 23.344 0.000 . . . . . . A 3 VAL CG1 . 30323 1
23 . 1 . 1 3 3 VAL CG2 C 13 23.602 0.000 . . . . . . A 3 VAL CG2 . 30323 1
24 . 1 . 1 3 3 VAL N N 15 121.089 0.000 . . . . . . A 3 VAL N . 30323 1
25 . 1 . 1 4 4 CYS H H 1 8.687 0.001 . . . . . . A 4 CYS H . 30323 1
26 . 1 . 1 4 4 CYS HA H 1 5.142 0.001 . . . . . . A 4 CYS HA . 30323 1
27 . 1 . 1 4 4 CYS HB2 H 1 2.907 0.002 . . . . . . A 4 CYS HB2 . 30323 1
28 . 1 . 1 4 4 CYS HB3 H 1 2.898 0.000 . . . . . . A 4 CYS HB3 . 30323 1
29 . 1 . 1 4 4 CYS CA C 13 54.879 0.000 . . . . . . A 4 CYS CA . 30323 1
30 . 1 . 1 4 4 CYS CB C 13 43.714 0.000 . . . . . . A 4 CYS CB . 30323 1
31 . 1 . 1 4 4 CYS N N 15 126.567 0.000 . . . . . . A 4 CYS N . 30323 1
32 . 1 . 1 5 5 PRO HA H 1 4.449 0.000 . . . . . . A 5 PRO HA . 30323 1
33 . 1 . 1 5 5 PRO HB2 H 1 2.318 0.000 . . . . . . A 5 PRO HB2 . 30323 1
34 . 1 . 1 5 5 PRO HB3 H 1 2.331 0.000 . . . . . . A 5 PRO HB3 . 30323 1
35 . 1 . 1 5 5 PRO HG2 H 1 1.938 0.000 . . . . . . A 5 PRO HG2 . 30323 1
36 . 1 . 1 5 5 PRO HG3 H 1 2.042 0.000 . . . . . . A 5 PRO HG3 . 30323 1
37 . 1 . 1 5 5 PRO HD2 H 1 3.889 0.001 . . . . . . A 5 PRO HD2 . 30323 1
38 . 1 . 1 5 5 PRO HD3 H 1 3.835 0.001 . . . . . . A 5 PRO HD3 . 30323 1
39 . 1 . 1 5 5 PRO CA C 13 65.851 0.000 . . . . . . A 5 PRO CA . 30323 1
40 . 1 . 1 5 5 PRO CB C 13 35.185 0.000 . . . . . . A 5 PRO CB . 30323 1
41 . 1 . 1 5 5 PRO CG C 13 29.849 0.003 . . . . . . A 5 PRO CG . 30323 1
42 . 1 . 1 5 5 PRO CD C 13 54.112 0.005 . . . . . . A 5 PRO CD . 30323 1
43 . 1 . 1 6 6 LYS HA H 1 4.416 0.000 . . . . . . A 6 LYS HA . 30323 1
44 . 1 . 1 6 6 LYS HB2 H 1 1.655 0.001 . . . . . . A 6 LYS HB2 . 30323 1
45 . 1 . 1 6 6 LYS HB3 H 1 1.877 0.001 . . . . . . A 6 LYS HB3 . 30323 1
46 . 1 . 1 6 6 LYS HG2 H 1 1.358 0.000 . . . . . . A 6 LYS HG2 . 30323 1
47 . 1 . 1 6 6 LYS HG3 H 1 1.476 0.001 . . . . . . A 6 LYS HG3 . 30323 1
48 . 1 . 1 6 6 LYS HD2 H 1 1.699 0.000 . . . . . . A 6 LYS HD2 . 30323 1
49 . 1 . 1 6 6 LYS HD3 H 1 1.700 0.001 . . . . . . A 6 LYS HD3 . 30323 1
50 . 1 . 1 6 6 LYS HE2 H 1 3.016 0.000 . . . . . . A 6 LYS HE2 . 30323 1
51 . 1 . 1 6 6 LYS HE3 H 1 3.006 0.000 . . . . . . A 6 LYS HE3 . 30323 1
52 . 1 . 1 6 6 LYS HZ1 H 1 7.545 0.006 . . . . . . A 6 LYS HZ1 . 30323 1
53 . 1 . 1 6 6 LYS HZ2 H 1 7.545 0.006 . . . . . . A 6 LYS HZ2 . 30323 1
54 . 1 . 1 6 6 LYS HZ3 H 1 7.545 0.006 . . . . . . A 6 LYS HZ3 . 30323 1
55 . 1 . 1 6 6 LYS CA C 13 61.613 0.000 . . . . . . A 6 LYS CA . 30323 1
56 . 1 . 1 6 6 LYS CB C 13 33.994 0.006 . . . . . . A 6 LYS CB . 30323 1
57 . 1 . 1 6 6 LYS CG C 13 27.472 0.000 . . . . . . A 6 LYS CG . 30323 1
58 . 1 . 1 6 6 LYS CD C 13 31.491 0.000 . . . . . . A 6 LYS CD . 30323 1
59 . 1 . 1 6 6 LYS CE C 13 44.612 0.000 . . . . . . A 6 LYS CE . 30323 1
60 . 1 . 1 6 6 LYS NZ N 15 126.786 0.000 . . . . . . A 6 LYS NZ . 30323 1
61 . 1 . 1 7 7 ILE H H 1 7.653 0.001 . . . . . . A 7 ILE H . 30323 1
62 . 1 . 1 7 7 ILE HA H 1 4.424 0.001 . . . . . . A 7 ILE HA . 30323 1
63 . 1 . 1 7 7 ILE HB H 1 1.891 0.000 . . . . . . A 7 ILE HB . 30323 1
64 . 1 . 1 7 7 ILE HG12 H 1 1.130 0.000 . . . . . . A 7 ILE HG12 . 30323 1
65 . 1 . 1 7 7 ILE HG13 H 1 1.346 0.000 . . . . . . A 7 ILE HG13 . 30323 1
66 . 1 . 1 7 7 ILE HG21 H 1 0.881 0.002 . . . . . . A 7 ILE HG21 . 30323 1
67 . 1 . 1 7 7 ILE HG22 H 1 0.881 0.002 . . . . . . A 7 ILE HG22 . 30323 1
68 . 1 . 1 7 7 ILE HG23 H 1 0.881 0.002 . . . . . . A 7 ILE HG23 . 30323 1
69 . 1 . 1 7 7 ILE HD11 H 1 0.857 0.000 . . . . . . A 7 ILE HD11 . 30323 1
70 . 1 . 1 7 7 ILE HD12 H 1 0.857 0.000 . . . . . . A 7 ILE HD12 . 30323 1
71 . 1 . 1 7 7 ILE HD13 H 1 0.857 0.000 . . . . . . A 7 ILE HD13 . 30323 1
72 . 1 . 1 7 7 ILE CA C 13 62.905 0.000 . . . . . . A 7 ILE CA . 30323 1
73 . 1 . 1 7 7 ILE CB C 13 42.985 0.000 . . . . . . A 7 ILE CB . 30323 1
74 . 1 . 1 7 7 ILE CG1 C 13 29.330 0.000 . . . . . . A 7 ILE CG1 . 30323 1
75 . 1 . 1 7 7 ILE CG2 C 13 20.418 0.000 . . . . . . A 7 ILE CG2 . 30323 1
76 . 1 . 1 7 7 ILE CD1 C 13 16.446 0.000 . . . . . . A 7 ILE CD1 . 30323 1
77 . 1 . 1 7 7 ILE N N 15 120.283 0.000 . . . . . . A 7 ILE N . 30323 1
78 . 1 . 1 8 8 LEU H H 1 8.673 0.003 . . . . . . A 8 LEU H . 30323 1
79 . 1 . 1 8 8 LEU HA H 1 4.486 0.003 . . . . . . A 8 LEU HA . 30323 1
80 . 1 . 1 8 8 LEU HB2 H 1 1.558 0.000 . . . . . . A 8 LEU HB2 . 30323 1
81 . 1 . 1 8 8 LEU HB3 H 1 1.719 0.003 . . . . . . A 8 LEU HB3 . 30323 1
82 . 1 . 1 8 8 LEU HG H 1 1.494 0.000 . . . . . . A 8 LEU HG . 30323 1
83 . 1 . 1 8 8 LEU HD11 H 1 0.767 0.005 . . . . . . A 8 LEU HD11 . 30323 1
84 . 1 . 1 8 8 LEU HD12 H 1 0.767 0.005 . . . . . . A 8 LEU HD12 . 30323 1
85 . 1 . 1 8 8 LEU HD13 H 1 0.767 0.005 . . . . . . A 8 LEU HD13 . 30323 1
86 . 1 . 1 8 8 LEU HD21 H 1 0.755 0.000 . . . . . . A 8 LEU HD21 . 30323 1
87 . 1 . 1 8 8 LEU HD22 H 1 0.755 0.000 . . . . . . A 8 LEU HD22 . 30323 1
88 . 1 . 1 8 8 LEU HD23 H 1 0.755 0.000 . . . . . . A 8 LEU HD23 . 30323 1
89 . 1 . 1 8 8 LEU CA C 13 57.057 0.000 . . . . . . A 8 LEU CA . 30323 1
90 . 1 . 1 8 8 LEU CB C 13 44.168 0.003 . . . . . . A 8 LEU CB . 30323 1
91 . 1 . 1 8 8 LEU CG C 13 29.821 0.000 . . . . . . A 8 LEU CG . 30323 1
92 . 1 . 1 8 8 LEU CD1 C 13 27.358 0.000 . . . . . . A 8 LEU CD1 . 30323 1
93 . 1 . 1 8 8 LEU CD2 C 13 26.414 0.000 . . . . . . A 8 LEU CD2 . 30323 1
94 . 1 . 1 8 8 LEU N N 15 126.149 0.000 . . . . . . A 8 LEU N . 30323 1
95 . 1 . 1 9 9 GLN H H 1 8.700 0.000 . . . . . . A 9 GLN H . 30323 1
96 . 1 . 1 9 9 GLN HA H 1 4.574 0.002 . . . . . . A 9 GLN HA . 30323 1
97 . 1 . 1 9 9 GLN HB2 H 1 1.997 0.004 . . . . . . A 9 GLN HB2 . 30323 1
98 . 1 . 1 9 9 GLN HB3 H 1 1.745 0.003 . . . . . . A 9 GLN HB3 . 30323 1
99 . 1 . 1 9 9 GLN HG2 H 1 2.366 0.002 . . . . . . A 9 GLN HG2 . 30323 1
100 . 1 . 1 9 9 GLN HG3 H 1 2.469 0.004 . . . . . . A 9 GLN HG3 . 30323 1
101 . 1 . 1 9 9 GLN HE21 H 1 7.512 0.001 . . . . . . A 9 GLN HE21 . 30323 1
102 . 1 . 1 9 9 GLN HE22 H 1 6.994 0.001 . . . . . . A 9 GLN HE22 . 30323 1
103 . 1 . 1 9 9 GLN CA C 13 57.947 0.000 . . . . . . A 9 GLN CA . 30323 1
104 . 1 . 1 9 9 GLN CB C 13 34.393 0.003 . . . . . . A 9 GLN CB . 30323 1
105 . 1 . 1 9 9 GLN CG C 13 36.380 0.006 . . . . . . A 9 GLN CG . 30323 1
106 . 1 . 1 9 9 GLN NE2 N 15 112.568 0.002 . . . . . . A 9 GLN NE2 . 30323 1
107 . 1 . 1 10 10 ARG H H 1 8.735 0.002 . . . . . . A 10 ARG H . 30323 1
108 . 1 . 1 10 10 ARG HA H 1 4.476 0.002 . . . . . . A 10 ARG HA . 30323 1
109 . 1 . 1 10 10 ARG HB2 H 1 1.610 0.004 . . . . . . A 10 ARG HB2 . 30323 1
110 . 1 . 1 10 10 ARG HB3 H 1 1.688 0.001 . . . . . . A 10 ARG HB3 . 30323 1
111 . 1 . 1 10 10 ARG HG2 H 1 1.209 0.000 . . . . . . A 10 ARG HG2 . 30323 1
112 . 1 . 1 10 10 ARG HG3 H 1 1.211 0.002 . . . . . . A 10 ARG HG3 . 30323 1
113 . 1 . 1 10 10 ARG HD2 H 1 2.883 0.002 . . . . . . A 10 ARG HD2 . 30323 1
114 . 1 . 1 10 10 ARG HD3 H 1 2.973 0.007 . . . . . . A 10 ARG HD3 . 30323 1
115 . 1 . 1 10 10 ARG HE H 1 6.964 0.001 . . . . . . A 10 ARG HE . 30323 1
116 . 1 . 1 10 10 ARG CA C 13 58.398 0.000 . . . . . . A 10 ARG CA . 30323 1
117 . 1 . 1 10 10 ARG CB C 13 33.486 0.000 . . . . . . A 10 ARG CB . 30323 1
118 . 1 . 1 10 10 ARG CG C 13 30.493 0.000 . . . . . . A 10 ARG CG . 30323 1
119 . 1 . 1 10 10 ARG CD C 13 45.415 0.000 . . . . . . A 10 ARG CD . 30323 1
120 . 1 . 1 10 10 ARG N N 15 127.631 0.000 . . . . . . A 10 ARG N . 30323 1
121 . 1 . 1 10 10 ARG NE N 15 119.688 0.000 . . . . . . A 10 ARG NE . 30323 1
122 . 1 . 1 11 11 CYS H H 1 8.400 0.001 . . . . . . A 11 CYS H . 30323 1
123 . 1 . 1 11 11 CYS HA H 1 4.873 0.002 . . . . . . A 11 CYS HA . 30323 1
124 . 1 . 1 11 11 CYS HB2 H 1 3.026 0.006 . . . . . . A 11 CYS HB2 . 30323 1
125 . 1 . 1 11 11 CYS HB3 H 1 3.212 0.001 . . . . . . A 11 CYS HB3 . 30323 1
126 . 1 . 1 11 11 CYS CA C 13 56.748 0.000 . . . . . . A 11 CYS CA . 30323 1
127 . 1 . 1 11 11 CYS CB C 13 50.658 0.016 . . . . . . A 11 CYS CB . 30323 1
128 . 1 . 1 11 11 CYS N N 15 115.759 0.000 . . . . . . A 11 CYS N . 30323 1
129 . 1 . 1 12 12 ARG H H 1 9.446 0.001 . . . . . . A 12 ARG H . 30323 1
130 . 1 . 1 12 12 ARG HA H 1 4.470 0.002 . . . . . . A 12 ARG HA . 30323 1
131 . 1 . 1 12 12 ARG HB2 H 1 1.752 0.000 . . . . . . A 12 ARG HB2 . 30323 1
132 . 1 . 1 12 12 ARG HB3 H 1 1.900 0.003 . . . . . . A 12 ARG HB3 . 30323 1
133 . 1 . 1 12 12 ARG HG2 H 1 1.646 0.000 . . . . . . A 12 ARG HG2 . 30323 1
134 . 1 . 1 12 12 ARG HG3 H 1 1.649 0.000 . . . . . . A 12 ARG HG3 . 30323 1
135 . 1 . 1 12 12 ARG HD2 H 1 3.198 0.000 . . . . . . A 12 ARG HD2 . 30323 1
136 . 1 . 1 12 12 ARG HD3 H 1 3.211 0.001 . . . . . . A 12 ARG HD3 . 30323 1
137 . 1 . 1 12 12 ARG HE H 1 7.306 0.000 . . . . . . A 12 ARG HE . 30323 1
138 . 1 . 1 12 12 ARG CA C 13 58.854 0.000 . . . . . . A 12 ARG CA . 30323 1
139 . 1 . 1 12 12 ARG CB C 13 34.917 0.003 . . . . . . A 12 ARG CB . 30323 1
140 . 1 . 1 12 12 ARG CG C 13 29.762 0.000 . . . . . . A 12 ARG CG . 30323 1
141 . 1 . 1 12 12 ARG CD C 13 45.624 0.000 . . . . . . A 12 ARG CD . 30323 1
142 . 1 . 1 12 12 ARG N N 15 117.894 0.000 . . . . . . A 12 ARG N . 30323 1
143 . 1 . 1 12 12 ARG NE N 15 116.636 0.000 . . . . . . A 12 ARG NE . 30323 1
144 . 1 . 1 13 13 ARG H H 1 8.085 0.001 . . . . . . A 13 ARG H . 30323 1
145 . 1 . 1 13 13 ARG HA H 1 4.747 0.003 . . . . . . A 13 ARG HA . 30323 1
146 . 1 . 1 13 13 ARG HB2 H 1 1.812 0.002 . . . . . . A 13 ARG HB2 . 30323 1
147 . 1 . 1 13 13 ARG HB3 H 1 2.034 0.003 . . . . . . A 13 ARG HB3 . 30323 1
148 . 1 . 1 13 13 ARG HG2 H 1 1.583 0.002 . . . . . . A 13 ARG HG2 . 30323 1
149 . 1 . 1 13 13 ARG HG3 H 1 1.467 0.002 . . . . . . A 13 ARG HG3 . 30323 1
150 . 1 . 1 13 13 ARG HD3 H 1 3.149 0.003 . . . . . . A 13 ARG HD3 . 30323 1
151 . 1 . 1 13 13 ARG HE H 1 7.159 0.001 . . . . . . A 13 ARG HE . 30323 1
152 . 1 . 1 13 13 ARG CA C 13 56.426 0.000 . . . . . . A 13 ARG CA . 30323 1
153 . 1 . 1 13 13 ARG CB C 13 35.543 0.006 . . . . . . A 13 ARG CB . 30323 1
154 . 1 . 1 13 13 ARG CG C 13 28.348 0.004 . . . . . . A 13 ARG CG . 30323 1
155 . 1 . 1 13 13 ARG CD C 13 46.040 0.000 . . . . . . A 13 ARG CD . 30323 1
156 . 1 . 1 13 13 ARG N N 15 117.016 0.000 . . . . . . A 13 ARG N . 30323 1
157 . 1 . 1 13 13 ARG NE N 15 119.472 0.000 . . . . . . A 13 ARG NE . 30323 1
158 . 1 . 1 14 14 ASP H H 1 9.312 0.003 . . . . . . A 14 ASP H . 30323 1
159 . 1 . 1 14 14 ASP HA H 1 4.133 0.002 . . . . . . A 14 ASP HA . 30323 1
160 . 1 . 1 14 14 ASP HB2 H 1 3.013 0.001 . . . . . . A 14 ASP HB2 . 30323 1
161 . 1 . 1 14 14 ASP HB3 H 1 2.851 0.000 . . . . . . A 14 ASP HB3 . 30323 1
162 . 1 . 1 14 14 ASP CA C 13 60.965 0.000 . . . . . . A 14 ASP CA . 30323 1
163 . 1 . 1 14 14 ASP CB C 13 40.832 0.000 . . . . . . A 14 ASP CB . 30323 1
164 . 1 . 1 14 14 ASP N N 15 123.456 0.000 . . . . . . A 14 ASP N . 30323 1
165 . 1 . 1 15 15 SER H H 1 8.193 0.003 . . . . . . A 15 SER H . 30323 1
166 . 1 . 1 15 15 SER HA H 1 4.303 0.000 . . . . . . A 15 SER HA . 30323 1
167 . 1 . 1 15 15 SER HB2 H 1 3.842 0.002 . . . . . . A 15 SER HB2 . 30323 1
168 . 1 . 1 15 15 SER HB3 H 1 4.125 0.006 . . . . . . A 15 SER HB3 . 30323 1
169 . 1 . 1 15 15 SER CA C 13 62.689 0.000 . . . . . . A 15 SER CA . 30323 1
170 . 1 . 1 15 15 SER CB C 13 64.865 0.006 . . . . . . A 15 SER CB . 30323 1
171 . 1 . 1 15 15 SER N N 15 111.096 0.000 . . . . . . A 15 SER N . 30323 1
172 . 1 . 1 16 16 ASP H H 1 7.723 0.001 . . . . . . A 16 ASP H . 30323 1
173 . 1 . 1 16 16 ASP HA H 1 4.635 0.005 . . . . . . A 16 ASP HA . 30323 1
174 . 1 . 1 16 16 ASP HB2 H 1 3.058 0.000 . . . . . . A 16 ASP HB2 . 30323 1
175 . 1 . 1 16 16 ASP HB3 H 1 3.042 0.000 . . . . . . A 16 ASP HB3 . 30323 1
176 . 1 . 1 16 16 ASP CA C 13 58.295 0.000 . . . . . . A 16 ASP CA . 30323 1
177 . 1 . 1 16 16 ASP CB C 13 44.941 0.000 . . . . . . A 16 ASP CB . 30323 1
178 . 1 . 1 16 16 ASP N N 15 120.416 0.000 . . . . . . A 16 ASP N . 30323 1
179 . 1 . 1 17 17 CYS H H 1 8.073 0.002 . . . . . . A 17 CYS H . 30323 1
180 . 1 . 1 17 17 CYS HA H 1 4.989 0.001 . . . . . . A 17 CYS HA . 30323 1
181 . 1 . 1 17 17 CYS HB2 H 1 2.737 0.000 . . . . . . A 17 CYS HB2 . 30323 1
182 . 1 . 1 17 17 CYS HB3 H 1 2.854 0.001 . . . . . . A 17 CYS HB3 . 30323 1
183 . 1 . 1 17 17 CYS CA C 13 54.805 0.000 . . . . . . A 17 CYS CA . 30323 1
184 . 1 . 1 17 17 CYS CB C 13 43.255 0.002 . . . . . . A 17 CYS CB . 30323 1
185 . 1 . 1 17 17 CYS N N 15 117.535 0.000 . . . . . . A 17 CYS N . 30323 1
186 . 1 . 1 18 18 PRO HA H 1 4.642 0.002 . . . . . . A 18 PRO HA . 30323 1
187 . 1 . 1 18 18 PRO HB2 H 1 1.946 0.005 . . . . . . A 18 PRO HB2 . 30323 1
188 . 1 . 1 18 18 PRO HB3 H 1 2.323 0.000 . . . . . . A 18 PRO HB3 . 30323 1
189 . 1 . 1 18 18 PRO HG2 H 1 2.027 0.001 . . . . . . A 18 PRO HG2 . 30323 1
190 . 1 . 1 18 18 PRO HG3 H 1 2.111 0.002 . . . . . . A 18 PRO HG3 . 30323 1
191 . 1 . 1 18 18 PRO HD2 H 1 3.873 0.001 . . . . . . A 18 PRO HD2 . 30323 1
192 . 1 . 1 18 18 PRO HD3 H 1 3.424 0.001 . . . . . . A 18 PRO HD3 . 30323 1
193 . 1 . 1 18 18 PRO CA C 13 64.868 0.000 . . . . . . A 18 PRO CA . 30323 1
194 . 1 . 1 18 18 PRO CB C 13 35.131 0.000 . . . . . . A 18 PRO CB . 30323 1
195 . 1 . 1 18 18 PRO CG C 13 30.111 0.000 . . . . . . A 18 PRO CG . 30323 1
196 . 1 . 1 18 18 PRO CD C 13 52.613 0.000 . . . . . . A 18 PRO CD . 30323 1
197 . 1 . 1 19 19 GLY H H 1 8.484 0.001 . . . . . . A 19 GLY H . 30323 1
198 . 1 . 1 19 19 GLY HA2 H 1 3.845 0.000 . . . . . . A 19 GLY HA2 . 30323 1
199 . 1 . 1 19 19 GLY HA3 H 1 3.790 0.000 . . . . . . A 19 GLY HA3 . 30323 1
200 . 1 . 1 19 19 GLY CA C 13 49.928 0.002 . . . . . . A 19 GLY CA . 30323 1
201 . 1 . 1 19 19 GLY N N 15 106.507 0.000 . . . . . . A 19 GLY N . 30323 1
202 . 1 . 1 20 20 ALA H H 1 8.412 0.001 . . . . . . A 20 ALA H . 30323 1
203 . 1 . 1 20 20 ALA HA H 1 4.498 0.006 . . . . . . A 20 ALA HA . 30323 1
204 . 1 . 1 20 20 ALA HB1 H 1 1.409 0.001 . . . . . . A 20 ALA HB1 . 30323 1
205 . 1 . 1 20 20 ALA HB2 H 1 1.409 0.001 . . . . . . A 20 ALA HB2 . 30323 1
206 . 1 . 1 20 20 ALA HB3 H 1 1.409 0.001 . . . . . . A 20 ALA HB3 . 30323 1
207 . 1 . 1 20 20 ALA CA C 13 54.363 0.000 . . . . . . A 20 ALA CA . 30323 1
208 . 1 . 1 20 20 ALA CB C 13 21.029 0.000 . . . . . . A 20 ALA CB . 30323 1
209 . 1 . 1 20 20 ALA N N 15 125.076 0.000 . . . . . . A 20 ALA N . 30323 1
210 . 1 . 1 21 21 CYS H H 1 8.231 0.002 . . . . . . A 21 CYS H . 30323 1
211 . 1 . 1 21 21 CYS HA H 1 4.700 0.000 . . . . . . A 21 CYS HA . 30323 1
212 . 1 . 1 21 21 CYS HB2 H 1 3.232 0.001 . . . . . . A 21 CYS HB2 . 30323 1
213 . 1 . 1 21 21 CYS HB3 H 1 3.308 0.001 . . . . . . A 21 CYS HB3 . 30323 1
214 . 1 . 1 21 21 CYS CA C 13 58.739 0.000 . . . . . . A 21 CYS CA . 30323 1
215 . 1 . 1 21 21 CYS CB C 13 48.237 0.000 . . . . . . A 21 CYS CB . 30323 1
216 . 1 . 1 21 21 CYS N N 15 117.272 0.000 . . . . . . A 21 CYS N . 30323 1
217 . 1 . 1 22 22 ILE H H 1 9.042 0.003 . . . . . . A 22 ILE H . 30323 1
218 . 1 . 1 22 22 ILE HA H 1 4.426 0.001 . . . . . . A 22 ILE HA . 30323 1
219 . 1 . 1 22 22 ILE HB H 1 1.931 0.001 . . . . . . A 22 ILE HB . 30323 1
220 . 1 . 1 22 22 ILE HG12 H 1 0.982 0.001 . . . . . . A 22 ILE HG12 . 30323 1
221 . 1 . 1 22 22 ILE HG13 H 1 1.095 0.001 . . . . . . A 22 ILE HG13 . 30323 1
222 . 1 . 1 22 22 ILE HG21 H 1 0.871 0.002 . . . . . . A 22 ILE HG21 . 30323 1
223 . 1 . 1 22 22 ILE HG22 H 1 0.871 0.002 . . . . . . A 22 ILE HG22 . 30323 1
224 . 1 . 1 22 22 ILE HG23 H 1 0.871 0.002 . . . . . . A 22 ILE HG23 . 30323 1
225 . 1 . 1 22 22 ILE HD11 H 1 0.829 0.002 . . . . . . A 22 ILE HD11 . 30323 1
226 . 1 . 1 22 22 ILE HD12 H 1 0.829 0.002 . . . . . . A 22 ILE HD12 . 30323 1
227 . 1 . 1 22 22 ILE HD13 H 1 0.829 0.002 . . . . . . A 22 ILE HD13 . 30323 1
228 . 1 . 1 22 22 ILE CA C 13 58.321 0.000 . . . . . . A 22 ILE CA . 30323 1
229 . 1 . 1 22 22 ILE CB C 13 43.967 0.000 . . . . . . A 22 ILE CB . 30323 1
230 . 1 . 1 22 22 ILE CG1 C 13 28.660 0.005 . . . . . . A 22 ILE CG1 . 30323 1
231 . 1 . 1 22 22 ILE CG2 C 13 22.087 0.000 . . . . . . A 22 ILE CG2 . 30323 1
232 . 1 . 1 22 22 ILE CD1 C 13 17.011 0.000 . . . . . . A 22 ILE CD1 . 30323 1
233 . 1 . 1 22 22 ILE N N 15 113.188 0.000 . . . . . . A 22 ILE N . 30323 1
234 . 1 . 1 23 23 CYS H H 1 8.943 0.001 . . . . . . A 23 CYS H . 30323 1
235 . 1 . 1 23 23 CYS HA H 1 4.980 0.001 . . . . . . A 23 CYS HA . 30323 1
236 . 1 . 1 23 23 CYS HB2 H 1 2.815 0.001 . . . . . . A 23 CYS HB2 . 30323 1
237 . 1 . 1 23 23 CYS HB3 H 1 2.506 0.002 . . . . . . A 23 CYS HB3 . 30323 1
238 . 1 . 1 23 23 CYS CA C 13 57.626 0.000 . . . . . . A 23 CYS CA . 30323 1
239 . 1 . 1 23 23 CYS CB C 13 40.790 0.005 . . . . . . A 23 CYS CB . 30323 1
240 . 1 . 1 23 23 CYS N N 15 120.395 0.000 . . . . . . A 23 CYS N . 30323 1
241 . 1 . 1 24 24 ARG H H 1 8.143 0.002 . . . . . . A 24 ARG H . 30323 1
242 . 1 . 1 24 24 ARG HA H 1 4.347 0.001 . . . . . . A 24 ARG HA . 30323 1
243 . 1 . 1 24 24 ARG HB2 H 1 2.072 0.002 . . . . . . A 24 ARG HB2 . 30323 1
244 . 1 . 1 24 24 ARG HB3 H 1 2.526 0.002 . . . . . . A 24 ARG HB3 . 30323 1
245 . 1 . 1 24 24 ARG HG2 H 1 1.757 0.001 . . . . . . A 24 ARG HG2 . 30323 1
246 . 1 . 1 24 24 ARG HG3 H 1 1.633 0.001 . . . . . . A 24 ARG HG3 . 30323 1
247 . 1 . 1 24 24 ARG HD2 H 1 3.261 0.001 . . . . . . A 24 ARG HD2 . 30323 1
248 . 1 . 1 24 24 ARG HD3 H 1 3.269 0.003 . . . . . . A 24 ARG HD3 . 30323 1
249 . 1 . 1 24 24 ARG HE H 1 6.910 0.001 . . . . . . A 24 ARG HE . 30323 1
250 . 1 . 1 24 24 ARG CA C 13 59.074 0.000 . . . . . . A 24 ARG CA . 30323 1
251 . 1 . 1 24 24 ARG CB C 13 33.795 0.001 . . . . . . A 24 ARG CB . 30323 1
252 . 1 . 1 24 24 ARG CG C 13 30.513 0.004 . . . . . . A 24 ARG CG . 30323 1
253 . 1 . 1 24 24 ARG CD C 13 45.936 0.000 . . . . . . A 24 ARG CD . 30323 1
254 . 1 . 1 24 24 ARG N N 15 128.615 0.000 . . . . . . A 24 ARG N . 30323 1
255 . 1 . 1 24 24 ARG NE N 15 118.194 0.000 . . . . . . A 24 ARG NE . 30323 1
256 . 1 . 1 25 25 GLY H H 1 8.899 0.001 . . . . . . A 25 GLY H . 30323 1
257 . 1 . 1 25 25 GLY HA2 H 1 3.945 0.000 . . . . . . A 25 GLY HA2 . 30323 1
258 . 1 . 1 25 25 GLY HA3 H 1 3.944 0.001 . . . . . . A 25 GLY HA3 . 30323 1
259 . 1 . 1 25 25 GLY CA C 13 49.467 0.000 . . . . . . A 25 GLY CA . 30323 1
260 . 1 . 1 25 25 GLY N N 15 108.243 0.000 . . . . . . A 25 GLY N . 30323 1
261 . 1 . 1 26 26 ASN H H 1 7.811 0.001 . . . . . . A 26 ASN H . 30323 1
262 . 1 . 1 26 26 ASN HA H 1 4.722 0.004 . . . . . . A 26 ASN HA . 30323 1
263 . 1 . 1 26 26 ASN HB2 H 1 2.880 0.002 . . . . . . A 26 ASN HB2 . 30323 1
264 . 1 . 1 26 26 ASN HB3 H 1 3.342 0.001 . . . . . . A 26 ASN HB3 . 30323 1
265 . 1 . 1 26 26 ASN HD21 H 1 7.562 0.000 . . . . . . A 26 ASN HD21 . 30323 1
266 . 1 . 1 26 26 ASN HD22 H 1 6.596 0.002 . . . . . . A 26 ASN HD22 . 30323 1
267 . 1 . 1 26 26 ASN CA C 13 54.841 0.000 . . . . . . A 26 ASN CA . 30323 1
268 . 1 . 1 26 26 ASN CB C 13 39.628 0.004 . . . . . . A 26 ASN CB . 30323 1
269 . 1 . 1 26 26 ASN N N 15 115.744 0.000 . . . . . . A 26 ASN N . 30323 1
270 . 1 . 1 26 26 ASN ND2 N 15 108.550 0.002 . . . . . . A 26 ASN ND2 . 30323 1
271 . 1 . 1 27 27 GLY H H 1 8.410 0.001 . . . . . . A 27 GLY H . 30323 1
272 . 1 . 1 27 27 GLY HA2 H 1 3.717 0.002 . . . . . . A 27 GLY HA2 . 30323 1
273 . 1 . 1 27 27 GLY HA3 H 1 4.013 0.000 . . . . . . A 27 GLY HA3 . 30323 1
274 . 1 . 1 27 27 GLY CA C 13 48.990 0.006 . . . . . . A 27 GLY CA . 30323 1
275 . 1 . 1 27 27 GLY N N 15 107.308 0.000 . . . . . . A 27 GLY N . 30323 1
276 . 1 . 1 28 28 TYR H H 1 7.306 0.003 . . . . . . A 28 TYR H . 30323 1
277 . 1 . 1 28 28 TYR HA H 1 5.277 0.001 . . . . . . A 28 TYR HA . 30323 1
278 . 1 . 1 28 28 TYR HB2 H 1 3.062 0.001 . . . . . . A 28 TYR HB2 . 30323 1
279 . 1 . 1 28 28 TYR HB3 H 1 2.661 0.001 . . . . . . A 28 TYR HB3 . 30323 1
280 . 1 . 1 28 28 TYR HD1 H 1 6.858 0.004 . . . . . . A 28 TYR HD1 . 30323 1
281 . 1 . 1 28 28 TYR HD2 H 1 6.858 0.004 . . . . . . A 28 TYR HD2 . 30323 1
282 . 1 . 1 28 28 TYR HE1 H 1 6.713 0.003 . . . . . . A 28 TYR HE1 . 30323 1
283 . 1 . 1 28 28 TYR HE2 H 1 6.713 0.003 . . . . . . A 28 TYR HE2 . 30323 1
284 . 1 . 1 28 28 TYR CA C 13 59.768 0.000 . . . . . . A 28 TYR CA . 30323 1
285 . 1 . 1 28 28 TYR CB C 13 44.323 0.013 . . . . . . A 28 TYR CB . 30323 1
286 . 1 . 1 28 28 TYR N N 15 119.752 0.000 . . . . . . A 28 TYR N . 30323 1
287 . 1 . 1 29 29 CYS H H 1 8.810 0.001 . . . . . . A 29 CYS H . 30323 1
288 . 1 . 1 29 29 CYS HA H 1 5.393 0.001 . . . . . . A 29 CYS HA . 30323 1
289 . 1 . 1 29 29 CYS HB2 H 1 2.831 0.001 . . . . . . A 29 CYS HB2 . 30323 1
290 . 1 . 1 29 29 CYS HB3 H 1 3.168 0.000 . . . . . . A 29 CYS HB3 . 30323 1
291 . 1 . 1 29 29 CYS CA C 13 58.256 0.000 . . . . . . A 29 CYS CA . 30323 1
292 . 1 . 1 29 29 CYS CB C 13 43.567 0.000 . . . . . . A 29 CYS CB . 30323 1
293 . 1 . 1 29 29 CYS N N 15 120.709 0.000 . . . . . . A 29 CYS N . 30323 1
294 . 1 . 1 30 30 GLY H H 1 9.791 0.001 . . . . . . A 30 GLY H . 30323 1
295 . 1 . 1 30 30 GLY HA2 H 1 4.544 0.000 . . . . . . A 30 GLY HA2 . 30323 1
296 . 1 . 1 30 30 GLY HA3 H 1 3.943 0.003 . . . . . . A 30 GLY HA3 . 30323 1
297 . 1 . 1 30 30 GLY CA C 13 48.319 0.001 . . . . . . A 30 GLY CA . 30323 1
298 . 1 . 1 30 30 GLY N N 15 109.587 0.000 . . . . . . A 30 GLY N . 30323 1
299 . 1 . 1 31 31 SER H H 1 8.836 0.001 . . . . . . A 31 SER H . 30323 1
300 . 1 . 1 31 31 SER HA H 1 4.544 0.001 . . . . . . A 31 SER HA . 30323 1
301 . 1 . 1 31 31 SER HB2 H 1 3.912 0.000 . . . . . . A 31 SER HB2 . 30323 1
302 . 1 . 1 31 31 SER HB3 H 1 3.983 0.001 . . . . . . A 31 SER HB3 . 30323 1
303 . 1 . 1 31 31 SER CA C 13 62.296 0.000 . . . . . . A 31 SER CA . 30323 1
304 . 1 . 1 31 31 SER CB C 13 66.662 0.003 . . . . . . A 31 SER CB . 30323 1
305 . 1 . 1 31 31 SER N N 15 115.963 0.000 . . . . . . A 31 SER N . 30323 1
306 . 1 . 1 32 32 GLY H H 1 9.100 0.001 . . . . . . A 32 GLY H . 30323 1
307 . 1 . 1 32 32 GLY HA2 H 1 4.420 0.001 . . . . . . A 32 GLY HA2 . 30323 1
308 . 1 . 1 32 32 GLY HA3 H 1 3.896 0.001 . . . . . . A 32 GLY HA3 . 30323 1
309 . 1 . 1 32 32 GLY CA C 13 47.285 0.000 . . . . . . A 32 GLY CA . 30323 1
310 . 1 . 1 32 32 GLY N N 15 111.351 0.000 . . . . . . A 32 GLY N . 30323 1
311 . 1 . 1 33 33 SER H H 1 8.671 0.003 . . . . . . A 33 SER H . 30323 1
312 . 1 . 1 33 33 SER HA H 1 4.462 0.001 . . . . . . A 33 SER HA . 30323 1
313 . 1 . 1 33 33 SER HB2 H 1 3.914 0.005 . . . . . . A 33 SER HB2 . 30323 1
314 . 1 . 1 33 33 SER HB3 H 1 3.906 0.000 . . . . . . A 33 SER HB3 . 30323 1
315 . 1 . 1 33 33 SER CA C 13 61.763 0.000 . . . . . . A 33 SER CA . 30323 1
316 . 1 . 1 33 33 SER CB C 13 66.205 0.000 . . . . . . A 33 SER CB . 30323 1
317 . 1 . 1 33 33 SER N N 15 115.915 0.000 . . . . . . A 33 SER N . 30323 1
318 . 1 . 1 34 34 ASP H H 1 8.599 0.001 . . . . . . A 34 ASP H . 30323 1
319 . 1 . 1 34 34 ASP HA H 1 4.819 0.002 . . . . . . A 34 ASP HA . 30323 1
320 . 1 . 1 34 34 ASP HB2 H 1 2.949 0.010 . . . . . . A 34 ASP HB2 . 30323 1
321 . 1 . 1 34 34 ASP HB3 H 1 2.903 0.001 . . . . . . A 34 ASP HB3 . 30323 1
322 . 1 . 1 34 34 ASP CA C 13 55.696 0.000 . . . . . . A 34 ASP CA . 30323 1
323 . 1 . 1 34 34 ASP CB C 13 41.190 0.004 . . . . . . A 34 ASP CB . 30323 1
324 . 1 . 1 34 34 ASP N N 15 119.573 0.000 . . . . . . A 34 ASP N . 30323 1
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