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 31170
_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 ROESY' . . . 31170 1
2 '2D 1H-1H TOCSY' . . . 31170 1
3 '2D 1H-13C HSQC' . . . 31170 1
4 '2D 1H-15N HSQC' . . . 31170 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 CYS H H 1 8.293 0.000 . . . . . . A 1 CYS H1 . 31170 1
2 . 1 . 1 1 1 CYS HA H 1 4.761 0.000 . . . . . . A 1 CYS HA . 31170 1
3 . 1 . 1 1 1 CYS HB2 H 1 2.741 0.206 . 2 . . . . A 1 CYS HB2 . 31170 1
4 . 1 . 1 1 1 CYS HB3 H 1 2.741 0.206 . 2 . . . . A 1 CYS HB3 . 31170 1
5 . 1 . 1 1 1 CYS CA C 13 49.459 0.000 . . . . . . A 1 CYS CA . 31170 1
6 . 1 . 1 1 1 CYS CB C 13 38.986 0.024 . . . . . . A 1 CYS CB . 31170 1
7 . 1 . 1 1 1 CYS N N 15 123.715 0.000 . . . . . . A 1 CYS N . 31170 1
8 . 1 . 1 2 2 PRO HA H 1 4.324 0.000 . . . . . . A 2 PRO HA . 31170 1
9 . 1 . 1 2 2 PRO HB2 H 1 1.816 0.209 . 2 . . . . A 2 PRO HB2 . 31170 1
10 . 1 . 1 2 2 PRO HB3 H 1 1.816 0.209 . 2 . . . . A 2 PRO HB3 . 31170 1
11 . 1 . 1 2 2 PRO HG2 H 1 1.204 0.344 . 2 . . . . A 2 PRO HG2 . 31170 1
12 . 1 . 1 2 2 PRO HG3 H 1 1.204 0.344 . 2 . . . . A 2 PRO HG3 . 31170 1
13 . 1 . 1 2 2 PRO HD2 H 1 2.850 0.409 . 2 . . . . A 2 PRO HD2 . 31170 1
14 . 1 . 1 2 2 PRO HD3 H 1 2.850 0.409 . 2 . . . . A 2 PRO HD3 . 31170 1
15 . 1 . 1 2 2 PRO CA C 13 60.928 0.000 . . . . . . A 2 PRO CA . 31170 1
16 . 1 . 1 2 2 PRO CB C 13 29.917 0.030 . . . . . . A 2 PRO CB . 31170 1
17 . 1 . 1 2 2 PRO CG C 13 20.955 0.032 . . . . . . A 2 PRO CG . 31170 1
18 . 1 . 1 2 2 PRO CD C 13 45.238 0.003 . . . . . . A 2 PRO CD . 31170 1
19 . 1 . 1 3 3 TRP HA H 1 4.275 0.000 . . . . . . A 3 TRP HA . 31170 1
20 . 1 . 1 3 3 TRP HB2 H 1 3.117 0.117 . 2 . . . . A 3 TRP HB2 . 31170 1
21 . 1 . 1 3 3 TRP HB3 H 1 3.117 0.117 . 2 . . . . A 3 TRP HB3 . 31170 1
22 . 1 . 1 3 3 TRP HD1 H 1 7.120 0.000 . . . . . . A 3 TRP HD1 . 31170 1
23 . 1 . 1 3 3 TRP HE1 H 1 10.821 0.000 . . . . . . A 3 TRP HE1 . 31170 1
24 . 1 . 1 3 3 TRP HE3 H 1 7.400 0.000 . . . . . . A 3 TRP HE3 . 31170 1
25 . 1 . 1 3 3 TRP HZ2 H 1 7.327 0.000 . . . . . . A 3 TRP HZ2 . 31170 1
26 . 1 . 1 3 3 TRP HZ3 H 1 6.959 0.000 . . . . . . A 3 TRP HZ3 . 31170 1
27 . 1 . 1 3 3 TRP HH2 H 1 7.047 0.000 . . . . . . A 3 TRP HH2 . 31170 1
28 . 1 . 1 3 3 TRP CA C 13 54.826 0.000 . . . . . . A 3 TRP CA . 31170 1
29 . 1 . 1 3 3 TRP CB C 13 26.136 0.004 . . . . . . A 3 TRP CB . 31170 1
30 . 1 . 1 3 3 TRP CD1 C 13 123.638 0.000 . . . . . . A 3 TRP CD1 . 31170 1
31 . 1 . 1 3 3 TRP CE3 C 13 117.723 0.000 . . . . . . A 3 TRP CE3 . 31170 1
32 . 1 . 1 3 3 TRP CZ2 C 13 111.442 0.000 . . . . . . A 3 TRP CZ2 . 31170 1
33 . 1 . 1 3 3 TRP CZ3 C 13 118.608 0.000 . . . . . . A 3 TRP CZ3 . 31170 1
34 . 1 . 1 3 3 TRP CH2 C 13 121.008 0.000 . . . . . . A 3 TRP CH2 . 31170 1
35 . 1 . 1 3 3 TRP NE1 N 15 131.579 0.000 . . . . . . A 3 TRP NE1 . 31170 1
36 . 1 . 1 4 4 ILE H H 1 7.817 0.000 . . . . . . A 4 ILE H . 31170 1
37 . 1 . 1 4 4 ILE HA H 1 4.373 0.000 . . . . . . A 4 ILE HA . 31170 1
38 . 1 . 1 4 4 ILE HB H 1 2.196 0.000 . . . . . . A 4 ILE HB . 31170 1
39 . 1 . 1 4 4 ILE HG12 H 1 1.326 0.195 . 2 . . . . A 4 ILE HG12 . 31170 1
40 . 1 . 1 4 4 ILE HG13 H 1 1.326 0.195 . 2 . . . . A 4 ILE HG13 . 31170 1
41 . 1 . 1 4 4 ILE HG21 H 1 0.686 0.000 . . . . . . A 4 ILE HG21 . 31170 1
42 . 1 . 1 4 4 ILE HG22 H 1 0.686 0.000 . . . . . . A 4 ILE HG22 . 31170 1
43 . 1 . 1 4 4 ILE HG23 H 1 0.686 0.000 . . . . . . A 4 ILE HG23 . 31170 1
44 . 1 . 1 4 4 ILE HD11 H 1 0.868 0.000 . . . . . . A 4 ILE HD11 . 31170 1
45 . 1 . 1 4 4 ILE HD12 H 1 0.868 0.000 . . . . . . A 4 ILE HD12 . 31170 1
46 . 1 . 1 4 4 ILE HD13 H 1 0.868 0.000 . . . . . . A 4 ILE HD13 . 31170 1
47 . 1 . 1 4 4 ILE CA C 13 55.558 0.000 . . . . . . A 4 ILE CA . 31170 1
48 . 1 . 1 4 4 ILE CB C 13 35.196 0.000 . . . . . . A 4 ILE CB . 31170 1
49 . 1 . 1 4 4 ILE CG1 C 13 24.283 0.002 . . . . . . A 4 ILE CG1 . 31170 1
50 . 1 . 1 4 4 ILE CG2 C 13 15.173 0.000 . . . . . . A 4 ILE CG2 . 31170 1
51 . 1 . 1 4 4 ILE CD1 C 13 10.376 0.000 . . . . . . A 4 ILE CD1 . 31170 1
52 . 1 . 1 4 4 ILE N N 15 117.504 0.000 . . . . . . A 4 ILE N . 31170 1
53 . 1 . 1 5 5 ILE HA H 1 3.606 0.000 . . . . . . A 5 ILE HA . 31170 1
54 . 1 . 1 5 5 ILE HB H 1 1.632 0.000 . . . . . . A 5 ILE HB . 31170 1
55 . 1 . 1 5 5 ILE HG12 H 1 1.138 0.069 . 2 . . . . A 5 ILE HG12 . 31170 1
56 . 1 . 1 5 5 ILE HG13 H 1 1.138 0.069 . 2 . . . . A 5 ILE HG13 . 31170 1
57 . 1 . 1 5 5 ILE HG21 H 1 0.517 0.000 . . . . . . A 5 ILE HG21 . 31170 1
58 . 1 . 1 5 5 ILE HG22 H 1 0.517 0.000 . . . . . . A 5 ILE HG22 . 31170 1
59 . 1 . 1 5 5 ILE HG23 H 1 0.517 0.000 . . . . . . A 5 ILE HG23 . 31170 1
60 . 1 . 1 5 5 ILE HD11 H 1 0.748 0.000 . . . . . . A 5 ILE HD11 . 31170 1
61 . 1 . 1 5 5 ILE HD12 H 1 0.748 0.000 . . . . . . A 5 ILE HD12 . 31170 1
62 . 1 . 1 5 5 ILE HD13 H 1 0.748 0.000 . . . . . . A 5 ILE HD13 . 31170 1
63 . 1 . 1 5 5 ILE CA C 13 60.906 0.000 . . . . . . A 5 ILE CA . 31170 1
64 . 1 . 1 5 5 ILE CB C 13 34.407 0.000 . . . . . . A 5 ILE CB . 31170 1
65 . 1 . 1 5 5 ILE CG1 C 13 25.452 0.009 . . . . . . A 5 ILE CG1 . 31170 1
66 . 1 . 1 5 5 ILE CG2 C 13 14.834 0.000 . . . . . . A 5 ILE CG2 . 31170 1
67 . 1 . 1 5 5 ILE CD1 C 13 10.933 0.000 . . . . . . A 5 ILE CD1 . 31170 1
68 . 1 . 1 6 6 TRP HA H 1 4.047 0.000 . . . . . . A 6 TRP HA . 31170 1
69 . 1 . 1 6 6 TRP HB2 H 1 3.120 0.016 . 2 . . . . A 6 TRP HB2 . 31170 1
70 . 1 . 1 6 6 TRP HB3 H 1 3.120 0.016 . 2 . . . . A 6 TRP HB3 . 31170 1
71 . 1 . 1 6 6 TRP HD1 H 1 7.141 0.000 . . . . . . A 6 TRP HD1 . 31170 1
72 . 1 . 1 6 6 TRP HE1 H 1 10.986 0.000 . . . . . . A 6 TRP HE1 . 31170 1
73 . 1 . 1 6 6 TRP HE3 H 1 7.375 0.000 . . . . . . A 6 TRP HE3 . 31170 1
74 . 1 . 1 6 6 TRP HZ2 H 1 7.324 0.000 . . . . . . A 6 TRP HZ2 . 31170 1
75 . 1 . 1 6 6 TRP HZ3 H 1 6.983 0.000 . . . . . . A 6 TRP HZ3 . 31170 1
76 . 1 . 1 6 6 TRP HH2 H 1 7.077 0.000 . . . . . . A 6 TRP HH2 . 31170 1
77 . 1 . 1 6 6 TRP CA C 13 57.821 0.000 . . . . . . A 6 TRP CA . 31170 1
78 . 1 . 1 6 6 TRP CB C 13 26.426 0.008 . . . . . . A 6 TRP CB . 31170 1
79 . 1 . 1 6 6 TRP CD1 C 13 123.379 0.000 . . . . . . A 6 TRP CD1 . 31170 1
80 . 1 . 1 6 6 TRP CE3 C 13 117.488 0.000 . . . . . . A 6 TRP CE3 . 31170 1
81 . 1 . 1 6 6 TRP CZ2 C 13 111.192 0.000 . . . . . . A 6 TRP CZ2 . 31170 1
82 . 1 . 1 6 6 TRP CZ3 C 13 118.871 0.000 . . . . . . A 6 TRP CZ3 . 31170 1
83 . 1 . 1 6 6 TRP CH2 C 13 121.243 0.000 . . . . . . A 6 TRP CH2 . 31170 1
84 . 1 . 1 6 6 TRP NE1 N 15 132.704 0.000 . . . . . . A 6 TRP NE1 . 31170 1
85 . 1 . 1 7 7 CYS H H 1 8.336 0.000 . . . . . . A 7 CYS H . 31170 1
86 . 1 . 1 7 7 CYS HA H 1 4.332 0.000 . . . . . . A 7 CYS HA . 31170 1
87 . 1 . 1 7 7 CYS HB2 H 1 3.337 0.237 . 2 . . . . A 7 CYS HB2 . 31170 1
88 . 1 . 1 7 7 CYS HB3 H 1 3.337 0.237 . 2 . . . . A 7 CYS HB3 . 31170 1
89 . 1 . 1 7 7 CYS CA C 13 55.305 0.000 . . . . . . A 7 CYS CA . 31170 1
90 . 1 . 1 7 7 CYS CB C 13 43.917 0.024 . . . . . . A 7 CYS CB . 31170 1
91 . 1 . 1 7 7 CYS N N 15 125.142 0.000 . . . . . . A 7 CYS N . 31170 1
92 . 1 . 1 8 8 CYS HA H 1 4.500 0.000 . . . . . . A 8 CYS HA . 31170 1
93 . 1 . 1 8 8 CYS HB2 H 1 3.020 0.198 . 2 . . . . A 8 CYS HB2 . 31170 1
94 . 1 . 1 8 8 CYS HB3 H 1 3.020 0.198 . 2 . . . . A 8 CYS HB3 . 31170 1
95 . 1 . 1 8 8 CYS CA C 13 49.915 0.000 . . . . . . A 8 CYS CA . 31170 1
96 . 1 . 1 8 8 CYS CB C 13 38.817 0.013 . . . . . . A 8 CYS CB . 31170 1
97 . 1 . 1 9 9 LEU H H 1 7.563 0.000 . . . . . . A 9 LEU H . 31170 1
98 . 1 . 1 9 9 LEU HA H 1 4.146 0.000 . . . . . . A 9 LEU HA . 31170 1
99 . 1 . 1 9 9 LEU HB2 H 1 1.525 0.031 . 2 . . . . A 9 LEU HB2 . 31170 1
100 . 1 . 1 9 9 LEU HB3 H 1 1.525 0.031 . 2 . . . . A 9 LEU HB3 . 31170 1
101 . 1 . 1 9 9 LEU HG H 1 1.666 0.000 . . . . . . A 9 LEU HG . 31170 1
102 . 1 . 1 9 9 LEU HD11 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD11 . 31170 1
103 . 1 . 1 9 9 LEU HD12 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD12 . 31170 1
104 . 1 . 1 9 9 LEU HD13 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD13 . 31170 1
105 . 1 . 1 9 9 LEU HD21 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD21 . 31170 1
106 . 1 . 1 9 9 LEU HD22 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD22 . 31170 1
107 . 1 . 1 9 9 LEU HD23 H 1 0.820 0.026 . 2 . . . . A 9 LEU HD23 . 31170 1
108 . 1 . 1 9 9 LEU CA C 13 50.426 0.000 . . . . . . A 9 LEU CA . 31170 1
109 . 1 . 1 9 9 LEU CB C 13 39.588 0.039 . . . . . . A 9 LEU CB . 31170 1
110 . 1 . 1 9 9 LEU CG C 13 24.063 0.000 . . . . . . A 9 LEU CG . 31170 1
111 . 1 . 1 9 9 LEU CD1 C 13 21.974 0.917 . . . . . . A 9 LEU CD1 . 31170 1
112 . 1 . 1 9 9 LEU N N 15 117.624 0.000 . . . . . . A 9 LEU N . 31170 1
113 . 1 . 1 10 10 SER H H 1 8.210 0.000 . . . . . . A 10 SER H . 31170 1
114 . 1 . 1 10 10 SER HA H 1 4.095 0.000 . . . . . . A 10 SER HA . 31170 1
115 . 1 . 1 10 10 SER HB2 H 1 3.868 0.000 . 2 . . . . A 10 SER HB2 . 31170 1
116 . 1 . 1 10 10 SER HB3 H 1 3.868 0.000 . 2 . . . . A 10 SER HB3 . 31170 1
117 . 1 . 1 10 10 SER CA C 13 53.800 0.000 . . . . . . A 10 SER CA . 31170 1
118 . 1 . 1 10 10 SER CB C 13 60.428 0.000 . . . . . . A 10 SER CB . 31170 1
119 . 1 . 1 10 10 SER N N 15 124.923 0.000 . . . . . . A 10 SER N . 31170 1
120 . 1 . 1 11 11 CYS H H 1 8.815 0.000 . . . . . . A 11 CYS H . 31170 1
121 . 1 . 1 11 11 CYS HA H 1 4.867 0.000 . . . . . . A 11 CYS HA . 31170 1
122 . 1 . 1 11 11 CYS HB2 H 1 3.429 0.108 . 2 . . . . A 11 CYS HB2 . 31170 1
123 . 1 . 1 11 11 CYS HB3 H 1 3.429 0.108 . 2 . . . . A 11 CYS HB3 . 31170 1
124 . 1 . 1 11 11 CYS CA C 13 52.964 0.000 . . . . . . A 11 CYS CA . 31170 1
125 . 1 . 1 11 11 CYS CB C 13 43.765 0.012 . . . . . . A 11 CYS CB . 31170 1
126 . 1 . 1 11 11 CYS N N 15 116.112 0.000 . . . . . . A 11 CYS N . 31170 1
stop_
save_