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 30226
_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 2
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_2
_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' . . . 30226 1
2 '2D 1H-1H NOESY' . . . 30226 1
3 '2D DQF-COSY' . . . 30226 1
4 '2D 1H-1H TOCSY' . . . 30226 1
5 '2D 1H-13C HSQC' . . . 30226 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.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 ILE HA H 1 3.819 0.003 . 1 . . 90 . A 1 ILE HA . 30226 1
2 . 1 1 1 1 ILE HB H 1 1.922 0.003 . 1 . . 91 . A 1 ILE HB . 30226 1
3 . 1 1 1 1 ILE HG12 H 1 1.174 0.003 . 2 . . 92 . A 1 ILE HG12 . 30226 1
4 . 1 1 1 1 ILE HG13 H 1 1.444 0.007 . 2 . . 93 . A 1 ILE HG13 . 30226 1
5 . 1 1 1 1 ILE HG21 H 1 0.943 0.007 . 1 . . 94 . A 1 ILE HG21 . 30226 1
6 . 1 1 1 1 ILE HG22 H 1 0.943 0.007 . 1 . . 94 . A 1 ILE HG22 . 30226 1
7 . 1 1 1 1 ILE HG23 H 1 0.943 0.007 . 1 . . 94 . A 1 ILE HG23 . 30226 1
8 . 1 1 1 1 ILE HD11 H 1 0.877 0.002 . 1 . . 95 . A 1 ILE HD11 . 30226 1
9 . 1 1 1 1 ILE HD12 H 1 0.877 0.002 . 1 . . 95 . A 1 ILE HD12 . 30226 1
10 . 1 1 1 1 ILE HD13 H 1 0.877 0.002 . 1 . . 95 . A 1 ILE HD13 . 30226 1
11 . 1 1 1 1 ILE CA C 13 60.236 . . 1 . . 115 . A 1 ILE CA . 30226 1
12 . 1 1 1 1 ILE CB C 13 39.143 . . 1 . . 132 . A 1 ILE CB . 30226 1
13 . 1 1 1 1 ILE CG1 C 13 26.731 0.003 . 1 . . 137 . A 1 ILE CG1 . 30226 1
14 . 1 1 2 2 ARG H H 1 8.742 0.001 . 1 . . 1 . A 2 ARG H . 30226 1
15 . 1 1 2 2 ARG HA H 1 4.303 0.003 . 1 . . 2 . A 2 ARG HA . 30226 1
16 . 1 1 2 2 ARG HB2 H 1 1.747 0.007 . 2 . . 34 . A 2 ARG HB2 . 30226 1
17 . 1 1 2 2 ARG HB3 H 1 1.583 0.012 . 2 . . 35 . A 2 ARG HB3 . 30226 1
18 . 1 1 2 2 ARG HD2 H 1 3.142 0.0 . 1 . . 97 . A 2 ARG HD2 . 30226 1
19 . 1 1 2 2 ARG HE H 1 7.218 0.0 . 1 . . 96 . A 2 ARG HE . 30226 1
20 . 1 1 2 2 ARG CA C 13 56.262 . . 1 . . 126 . A 2 ARG CA . 30226 1
21 . 1 1 2 2 ARG CB C 13 27.131 0.004 . 1 . . 136 . A 2 ARG CB . 30226 1
22 . 1 1 3 3 ASP H H 1 8.712 0.002 . 1 . . 3 . A 3 ASP H . 30226 1
23 . 1 1 3 3 ASP HA H 1 4.543 0.003 . 1 . . 4 . A 3 ASP HA . 30226 1
24 . 1 1 3 3 ASP HB2 H 1 2.848 0.005 . 2 . . 36 . A 3 ASP HB2 . 30226 1
25 . 1 1 3 3 ASP HB3 H 1 2.786 0.005 . 2 . . 37 . A 3 ASP HB3 . 30226 1
26 . 1 1 3 3 ASP CA C 13 53.433 . . 1 . . 124 . A 3 ASP CA . 30226 1
27 . 1 1 3 3 ASP CB C 13 38.749 . . 1 . . 145 . A 3 ASP CB . 30226 1
28 . 1 1 4 4 GLU H H 1 8.851 0.002 . 1 . . 5 . A 4 GLU H . 30226 1
29 . 1 1 4 4 GLU HA H 1 4.180 0.004 . 1 . . 6 . A 4 GLU HA . 30226 1
30 . 1 1 4 4 GLU HB2 H 1 2.124 0.005 . 2 . . 39 . A 4 GLU HB2 . 30226 1
31 . 1 1 4 4 GLU HB3 H 1 2.006 0.005 . 2 . . 40 . A 4 GLU HB3 . 30226 1
32 . 1 1 4 4 GLU HG2 H 1 2.438 0.004 . 1 . . 38 . A 4 GLU HG2 . 30226 1
33 . 1 1 4 4 GLU CA C 13 57.466 . . 1 . . 116 . A 4 GLU CA . 30226 1
34 . 1 1 4 4 GLU CB C 13 27.792 0.003 . 1 . . 140 . A 4 GLU CB . 30226 1
35 . 1 1 4 4 GLU CG C 13 32.971 . . 1 . . 130 . A 4 GLU CG . 30226 1
36 . 1 1 5 5 CYS H H 1 8.497 0.005 . 1 . . 7 . A 5 CYS H . 30226 1
37 . 1 1 5 5 CYS HA H 1 4.435 0.003 . 1 . . 8 . A 5 CYS HA . 30226 1
38 . 1 1 5 5 CYS HB2 H 1 3.195 0.004 . 2 . . 41 . A 5 CYS HB2 . 30226 1
39 . 1 1 5 5 CYS HB3 H 1 2.769 0.008 . 2 . . 42 . A 5 CYS HB3 . 30226 1
40 . 1 1 5 5 CYS CA C 13 58.193 . . 1 . . 121 . A 5 CYS CA . 30226 1
41 . 1 1 6 6 CYS H H 1 8.135 0.001 . 1 . . 9 . A 6 CYS H . 30226 1
42 . 1 1 6 6 CYS HA H 1 4.307 0.002 . 1 . . 10 . A 6 CYS HA . 30226 1
43 . 1 1 6 6 CYS HB2 H 1 3.181 0.005 . 2 . . 43 . A 6 CYS HB2 . 30226 1
44 . 1 1 6 6 CYS HB3 H 1 2.855 0.005 . 2 . . 44 . A 6 CYS HB3 . 30226 1
45 . 1 1 6 6 CYS CA C 13 56.256 . . 1 . . 128 . A 6 CYS CA . 30226 1
46 . 1 1 7 7 SER H H 1 7.836 0.004 . 1 . . 11 . A 7 SER H . 30226 1
47 . 1 1 7 7 SER HA H 1 4.458 0.002 . 1 . . 12 . A 7 SER HA . 30226 1
48 . 1 1 7 7 SER HB2 H 1 3.964 0.002 . 2 . . 45 . A 7 SER HB2 . 30226 1
49 . 1 1 7 7 SER HB3 H 1 3.912 0.01 . 2 . . 46 . A 7 SER HB3 . 30226 1
50 . 1 1 7 7 SER CA C 13 58.710 . . 1 . . 118 . A 7 SER CA . 30226 1
51 . 1 1 7 7 SER CB C 13 63.615 0.002 . 1 . . 112 . A 7 SER CB . 30226 1
52 . 1 1 8 8 ASN H H 1 7.858 0.007 . 1 . . 13 . A 8 ASN H . 30226 1
53 . 1 1 8 8 ASN HA H 1 5.264 0.003 . 1 . . 14 . A 8 ASN HA . 30226 1
54 . 1 1 8 8 ASN HB2 H 1 3.147 0.004 . 2 . . 47 . A 8 ASN HB2 . 30226 1
55 . 1 1 8 8 ASN HB3 H 1 2.808 0.007 . 2 . . 48 . A 8 ASN HB3 . 30226 1
56 . 1 1 8 8 ASN HD21 H 1 7.869 0.003 . 1 . . 104 . A 8 ASN HD21 . 30226 1
57 . 1 1 8 8 ASN HD22 H 1 7.166 0.01 . 1 . . 106 . A 8 ASN HD22 . 30226 1
58 . 1 1 8 8 ASN CA C 13 49.909 . . 1 . . 110 . A 8 ASN CA . 30226 1
59 . 1 1 8 8 ASN CB C 13 40.726 0.013 . 1 . . 131 . A 8 ASN CB . 30226 1
60 . 1 1 9 9 PRO HA H 1 4.078 0.002 . 1 . . 81 . A 9 PRO HA . 30226 1
61 . 1 1 9 9 PRO HB2 H 1 2.362 0.002 . 2 . . 85 . A 9 PRO HB2 . 30226 1
62 . 1 1 9 9 PRO HB3 H 1 2.001 0.003 . 2 . . 88 . A 9 PRO HB3 . 30226 1
63 . 1 1 9 9 PRO HG2 H 1 2.135 0.003 . 1 . . 87 . A 9 PRO HG2 . 30226 1
64 . 1 1 9 9 PRO HD2 H 1 4.027 0.005 . 2 . . 83 . A 9 PRO HD2 . 30226 1
65 . 1 1 9 9 PRO HD3 H 1 3.904 0.006 . 2 . . 84 . A 9 PRO HD3 . 30226 1
66 . 1 1 9 9 PRO CA C 13 65.730 . . 1 . . 113 . A 9 PRO CA . 30226 1
67 . 1 1 9 9 PRO CB C 13 32.221 0.008 . 1 . . 129 . A 9 PRO CB . 30226 1
68 . 1 1 9 9 PRO CD C 13 51.085 0.003 . 1 . . 141 . A 9 PRO CD . 30226 1
69 . 1 1 10 10 ALA H H 1 7.811 0.003 . 1 . . 15 . A 10 ALA H . 30226 1
70 . 1 1 10 10 ALA HA H 1 4.196 0.002 . 1 . . 16 . A 10 ALA HA . 30226 1
71 . 1 1 10 10 ALA HB1 H 1 1.362 0.002 . 1 . . 49 . A 10 ALA HB1 . 30226 1
72 . 1 1 10 10 ALA HB2 H 1 1.362 0.002 . 1 . . 49 . A 10 ALA HB2 . 30226 1
73 . 1 1 10 10 ALA HB3 H 1 1.362 0.002 . 1 . . 49 . A 10 ALA HB3 . 30226 1
74 . 1 1 10 10 ALA CA C 13 54.332 . . 1 . . 114 . A 10 ALA CA . 30226 1
75 . 1 1 10 10 ALA CB C 13 18.213 . . 1 . . 139 . A 10 ALA CB . 30226 1
76 . 1 1 11 11 CYS H H 1 7.922 0.003 . 1 . . 17 . A 11 CYS H . 30226 1
77 . 1 1 11 11 CYS HA H 1 4.279 0.004 . 1 . . 18 . A 11 CYS HA . 30226 1
78 . 1 1 11 11 CYS HB2 H 1 3.310 0.003 . 2 . . 61 . A 11 CYS HB2 . 30226 1
79 . 1 1 11 11 CYS HB3 H 1 4.005 0.005 . 2 . . 62 . A 11 CYS HB3 . 30226 1
80 . 1 1 12 12 ARG H H 1 8.421 0.003 . 1 . . 19 . A 12 ARG H . 30226 1
81 . 1 1 12 12 ARG HA H 1 3.860 0.002 . 1 . . 20 . A 12 ARG HA . 30226 1
82 . 1 1 12 12 ARG HB2 H 1 1.868 0.011 . 2 . . 50 . A 12 ARG HB2 . 30226 1
83 . 1 1 12 12 ARG HB3 H 1 1.674 0.003 . 2 . . 51 . A 12 ARG HB3 . 30226 1
84 . 1 1 12 12 ARG HG2 H 1 1.525 0.009 . 2 . . 52 . A 12 ARG HG2 . 30226 1
85 . 1 1 12 12 ARG HG3 H 1 1.395 0.005 . 2 . . 53 . A 12 ARG HG3 . 30226 1
86 . 1 1 12 12 ARG HD2 H 1 3.146 0.002 . 2 . . 56 . A 12 ARG HD2 . 30226 1
87 . 1 1 12 12 ARG HD3 H 1 2.653 0.0 . 2 . . 109 . A 12 ARG HD3 . 30226 1
88 . 1 1 12 12 ARG HE H 1 7.249 0.005 . 1 . . 54 . A 12 ARG HE . 30226 1
89 . 1 1 12 12 ARG CB C 13 30.683 0.007 . 1 . . 147 . A 12 ARG CB . 30226 1
90 . 1 1 13 13 TYR H H 1 7.919 0.004 . 1 . . 21 . A 13 TYR H . 30226 1
91 . 1 1 13 13 TYR HA H 1 4.248 0.003 . 1 . . 22 . A 13 TYR HA . 30226 1
92 . 1 1 13 13 TYR HB2 H 1 3.043 0.001 . 2 . . 64 . A 13 TYR HB2 . 30226 1
93 . 1 1 13 13 TYR HB3 H 1 3.052 0.003 . 2 . . 148 . A 13 TYR HB3 . 30226 1
94 . 1 1 13 13 TYR HD1 H 1 7.084 0.002 . 1 . . 107 . A 13 TYR HD1 . 30226 1
95 . 1 1 13 13 TYR HD2 H 1 7.084 0.002 . 1 . . 107 . A 13 TYR HD2 . 30226 1
96 . 1 1 13 13 TYR HE1 H 1 6.774 0.001 . 1 . . 108 . A 13 TYR HE1 . 30226 1
97 . 1 1 13 13 TYR HE2 H 1 6.774 0.001 . 1 . . 108 . A 13 TYR HE2 . 30226 1
98 . 1 1 13 13 TYR CB C 13 38.153 0.001 . 1 . . 135 . A 13 TYR CB . 30226 1
99 . 1 1 14 14 ASN H H 1 7.782 0.011 . 1 . . 23 . A 14 ASN H . 30226 1
100 . 1 1 14 14 ASN HA H 1 4.540 0.001 . 1 . . 24 . A 14 ASN HA . 30226 1
101 . 1 1 14 14 ASN HB2 H 1 2.859 0.007 . 2 . . 57 . A 14 ASN HB2 . 30226 1
102 . 1 1 14 14 ASN HB3 H 1 2.713 0.005 . 2 . . 58 . A 14 ASN HB3 . 30226 1
103 . 1 1 14 14 ASN HD21 H 1 7.619 0.001 . 1 . . 98 . A 14 ASN HD21 . 30226 1
104 . 1 1 14 14 ASN HD22 H 1 6.971 0.003 . 1 . . 100 . A 14 ASN HD22 . 30226 1
105 . 1 1 14 14 ASN CA C 13 53.930 . . 1 . . 125 . A 14 ASN CA . 30226 1
106 . 1 1 14 14 ASN CB C 13 39.256 0.003 . 1 . . 133 . A 14 ASN CB . 30226 1
107 . 1 1 15 15 ASN H H 1 7.651 0.002 . 1 . . 25 . A 15 ASN H . 30226 1
108 . 1 1 15 15 ASN HA H 1 5.040 0.004 . 1 . . 26 . A 15 ASN HA . 30226 1
109 . 1 1 15 15 ASN HB2 H 1 2.858 0.0 . 2 . . 59 . A 15 ASN HB2 . 30226 1
110 . 1 1 15 15 ASN HB3 H 1 2.657 0.003 . 2 . . 60 . A 15 ASN HB3 . 30226 1
111 . 1 1 15 15 ASN HD21 H 1 7.743 0.004 . 1 . . 101 . A 15 ASN HD21 . 30226 1
112 . 1 1 15 15 ASN HD22 H 1 7.247 0.003 . 1 . . 102 . A 15 ASN HD22 . 30226 1
113 . 1 1 15 15 ASN CA C 13 51.439 . . 1 . . 111 . A 15 ASN CA . 30226 1
114 . 1 1 15 15 ASN CB C 13 40.049 . . 1 . . 144 . A 15 ASN CB . 30226 1
115 . 1 1 16 16 HYP CA C 13 62.893 . . 1 . . 117 . A 16 HYP CA . 30226 1
116 . 1 1 16 16 HYP CB C 13 39.137 0.002 . 1 . . 134 . A 16 HYP CB . 30226 1
117 . 1 1 16 16 HYP CG C 13 71.859 . . 1 . . 123 . A 16 HYP CG . 30226 1
118 . 1 1 16 16 HYP HA H 1 4.459 0.002 . 1 . . 72 . A 16 HYP HA . 30226 1
119 . 1 1 16 16 HYP HB2 H 1 2.150 0.003 . 2 . . 74 . A 16 HYP HB2 . 30226 1
120 . 1 1 16 16 HYP HB3 H 1 1.835 0.005 . 2 . . 75 . A 16 HYP HB3 . 30226 1
121 . 1 1 16 16 HYP HD1 H 1 3.477 0.005 . 1 . . 78 . A 16 HYP HD1 . 30226 1
122 . 1 1 16 16 HYP HD22 H 1 3.719 0.002 . 1 . . 77 . A 16 HYP HD22 . 30226 1
123 . 1 1 16 16 HYP HG H 1 4.278 0.009 . 1 . . 76 . A 16 HYP HG . 30226 1
124 . 1 1 17 17 HIS H H 1 8.690 0.001 . 1 . . 27 . A 17 HIS H . 30226 1
125 . 1 1 17 17 HIS HA H 1 4.632 0.002 . 1 . . 28 . A 17 HIS HA . 30226 1
126 . 1 1 17 17 HIS HB2 H 1 3.293 0.008 . 2 . . 65 . A 17 HIS HB2 . 30226 1
127 . 1 1 17 17 HIS HB3 H 1 3.222 0.004 . 2 . . 66 . A 17 HIS HB3 . 30226 1
128 . 1 1 17 17 HIS CA C 13 56.073 . . 1 . . 120 . A 17 HIS CA . 30226 1
129 . 1 1 17 17 HIS CB C 13 28.302 0.025 . 1 . . 143 . A 17 HIS CB . 30226 1
130 . 1 1 18 18 VAL H H 1 7.678 0.002 . 1 . . 29 . A 18 VAL H . 30226 1
131 . 1 1 18 18 VAL HA H 1 4.182 0.003 . 1 . . 30 . A 18 VAL HA . 30226 1
132 . 1 1 18 18 VAL HB H 1 2.136 0.004 . 1 . . 67 . A 18 VAL HB . 30226 1
133 . 1 1 18 18 VAL HG11 H 1 0.914 0.007 . 2 . . 68 . A 18 VAL HG11 . 30226 1
134 . 1 1 18 18 VAL HG12 H 1 0.914 0.007 . 2 . . 68 . A 18 VAL HG12 . 30226 1
135 . 1 1 18 18 VAL HG13 H 1 0.914 0.007 . 2 . . 68 . A 18 VAL HG13 . 30226 1
136 . 1 1 18 18 VAL HG21 H 1 0.884 0.001 . 2 . . 69 . A 18 VAL HG21 . 30226 1
137 . 1 1 18 18 VAL HG22 H 1 0.884 0.001 . 2 . . 69 . A 18 VAL HG22 . 30226 1
138 . 1 1 18 18 VAL HG23 H 1 0.884 0.001 . 2 . . 69 . A 18 VAL HG23 . 30226 1
139 . 1 1 18 18 VAL CA C 13 62.888 . . 1 . . 119 . A 18 VAL CA . 30226 1
140 . 1 1 18 18 VAL CB C 13 32.586 . . 1 . . 138 . A 18 VAL CB . 30226 1
141 . 1 1 19 19 CYS H H 1 7.938 0.002 . 1 . . 31 . A 19 CYS H . 30226 1
142 . 1 1 19 19 CYS HA H 1 4.727 0.002 . 1 . . 32 . A 19 CYS HA . 30226 1
143 . 1 1 19 19 CYS HB2 H 1 3.214 0.007 . 2 . . 70 . A 19 CYS HB2 . 30226 1
144 . 1 1 19 19 CYS HB3 H 1 2.705 0.003 . 2 . . 71 . A 19 CYS HB3 . 30226 1
stop_
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