Content for NMR-STAR saveframe, "chem_shift_list_3"
save_chem_shift_list_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_3
_Assigned_chem_shift_list.Entry_ID 6857
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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-TOCSY (using DIPSI-2)' 1 $sample_1 isotropic 6857 3
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
2 $software_2 . . 6857 3
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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 GLN H H 1 8.396 0.001 . 1 . . . . 1 GLN H . 6857 3
2 . 1 1 1 1 GLN HA H 1 4.341 0.001 . 1 . . . . 1 GLN HA . 6857 3
3 . 1 1 1 1 GLN HB2 H 1 1.906 0.001 . 1 . . . . 1 GLN HB2 . 6857 3
4 . 1 1 1 1 GLN HB3 H 1 1.984 0.016 . 1 . . . . 1 GLN HB3 . 6857 3
5 . 1 1 1 1 GLN HG2 H 1 2.26 0.003 . 1 . . . . 1 GLN HG2 . 6857 3
6 . 1 1 1 1 GLN HG3 H 1 2.26 0.003 . 1 . . . . 1 GLN HG3 . 6857 3
7 . 1 1 2 2 ASP H H 1 8.797 0.007 . 1 . . . . 2 ASP H . 6857 3
8 . 1 1 2 2 ASP HA H 1 4.909 0.005 . 1 . . . . 2 ASP HA . 6857 3
9 . 1 1 2 2 ASP HB2 H 1 2.786 0.004 . 1 . . . . 2 ASP HB2 . 6857 3
10 . 1 1 2 2 ASP HB3 H 1 2.976 0.071 . 1 . . . . 2 ASP HB3 . 6857 3
11 . 1 1 3 3 GLU H H 1 8.344 0.005 . 1 . . . . 3 GLU H . 6857 3
12 . 1 1 3 3 GLU HA H 1 4.335 0.009 . 1 . . . . 3 GLU HA . 6857 3
13 . 1 1 3 3 GLU HB2 H 1 1.906 0.014 . 1 . . . . 3 GLU HB2 . 6857 3
14 . 1 1 3 3 GLU HB3 H 1 1.972 0.017 . 1 . . . . 3 GLU HB3 . 6857 3
15 . 1 1 3 3 GLU HG2 H 1 2.243 0.029 . 1 . . . . 3 GLU HG2 . 6857 3
16 . 1 1 3 3 GLU HG3 H 1 2.243 0.029 . 1 . . . . 3 GLU HG3 . 6857 3
17 . 1 1 4 4 ASN H H 1 8.364 0.003 . 1 . . . . 4 ASN H . 6857 3
18 . 1 1 4 4 ASN HA H 1 4.587 0.004 . 1 . . . . 4 ASN HA . 6857 3
19 . 1 1 4 4 ASN HB2 H 1 2.553 0.004 . 1 . . . . 4 ASN HB2 . 6857 3
20 . 1 1 4 4 ASN HB3 H 1 2.662 0.005 . 1 . . . . 4 ASN HB3 . 6857 3
21 . 1 1 5 5 PRO HA H 1 4.434 0.005 . 1 . . . . 5 PRO HA . 6857 3
22 . 1 1 5 5 PRO HB2 H 1 1.903 0.006 . 1 . . . . 5 PRO HB2 . 6857 3
23 . 1 1 5 5 PRO HB3 H 1 2.503 0.006 . 1 . . . . 5 PRO HB3 . 6857 3
24 . 1 1 5 5 PRO HG2 H 1 2.057 0.006 . 1 . . . . 5 PRO HG2 . 6857 3
25 . 1 1 5 5 PRO HG3 H 1 2.175 0.03 . 1 . . . . 5 PRO HG3 . 6857 3
26 . 1 1 5 5 PRO HD2 H 1 3.815 0.009 . 1 . . . . 5 PRO HD2 . 6857 3
27 . 1 1 5 5 PRO HD3 H 1 3.999 0.006 . 1 . . . . 5 PRO HD3 . 6857 3
28 . 1 1 6 6 VAL H H 1 8.262 0.004 . 1 . . . . 6 VAL H . 6857 3
29 . 1 1 6 6 VAL HA H 1 3.773 0.004 . 1 . . . . 6 VAL HA . 6857 3
30 . 1 1 6 6 VAL HB H 1 2.304 0.004 . 1 . . . . 6 VAL HB . 6857 3
31 . 1 1 6 6 VAL HG11 H 1 1.062 0.011 . 1 . . . . 6 VAL HG1 . 6857 3
32 . 1 1 6 6 VAL HG12 H 1 1.062 0.011 . 1 . . . . 6 VAL HG1 . 6857 3
33 . 1 1 6 6 VAL HG13 H 1 1.062 0.011 . 1 . . . . 6 VAL HG1 . 6857 3
34 . 1 1 6 6 VAL HG21 H 1 1.062 0.011 . 1 . . . . 6 VAL HG2 . 6857 3
35 . 1 1 6 6 VAL HG22 H 1 1.062 0.011 . 1 . . . . 6 VAL HG2 . 6857 3
36 . 1 1 6 6 VAL HG23 H 1 1.062 0.011 . 1 . . . . 6 VAL HG2 . 6857 3
37 . 1 1 7 7 VAL H H 1 7.533 0.002 . 1 . . . . 7 VAL H . 6857 3
38 . 1 1 7 7 VAL HA H 1 3.646 0.011 . 1 . . . . 7 VAL HA . 6857 3
39 . 1 1 7 7 VAL HB H 1 2.259 0.01 . 1 . . . . 7 VAL HB . 6857 3
40 . 1 1 7 7 VAL HG11 H 1 1.026 0.007 . 2 . . . . 7 VAL HG1 . 6857 3
41 . 1 1 7 7 VAL HG12 H 1 1.026 0.007 . 2 . . . . 7 VAL HG1 . 6857 3
42 . 1 1 7 7 VAL HG13 H 1 1.026 0.007 . 2 . . . . 7 VAL HG1 . 6857 3
43 . 1 1 7 7 VAL HG21 H 1 1.082 0.006 . 2 . . . . 7 VAL HG2 . 6857 3
44 . 1 1 7 7 VAL HG22 H 1 1.082 0.006 . 2 . . . . 7 VAL HG2 . 6857 3
45 . 1 1 7 7 VAL HG23 H 1 1.082 0.006 . 2 . . . . 7 VAL HG2 . 6857 3
46 . 1 1 8 8 HIS H H 1 7.95 0.002 . 1 . . . . 8 HIS H . 6857 3
47 . 1 1 8 8 HIS HA H 1 4.04 0.005 . 1 . . . . 8 HIS HA . 6857 3
48 . 1 1 8 8 HIS HB2 H 1 3.069 0.018 . 1 . . . . 8 HIS HB2 . 6857 3
49 . 1 1 8 8 HIS HB3 H 1 3.124 0.007 . 1 . . . . 8 HIS HB3 . 6857 3
50 . 1 1 8 8 HIS HD1 H 1 6.909 0.005 . 1 . . . . 8 HIS HD1 . 6857 3
51 . 1 1 8 8 HIS HD2 H 1 7.325 0.008 . 1 . . . . 8 HIS HD2 . 6857 3
52 . 1 1 8 8 HIS HE1 H 1 6.918 0.001 . 1 . . . . 8 HIS HE1 . 6857 3
53 . 1 1 9 9 PHE H H 1 7.937 0.007 . 1 . . . . 9 PHE H . 6857 3
54 . 1 1 9 9 PHE HA H 1 4.161 0.028 . 1 . . . . 9 PHE HA . 6857 3
55 . 1 1 9 9 PHE HB2 H 1 3.167 0.029 . 1 . . . . 9 PHE HB2 . 6857 3
56 . 1 1 9 9 PHE HB3 H 1 3.255 0.028 . 1 . . . . 9 PHE HB3 . 6857 3
57 . 1 1 9 9 PHE HD1 H 1 6.761 0.01 . 1 . . . . 9 PHE HD1 . 6857 3
58 . 1 1 9 9 PHE HD2 H 1 6.761 0.01 . 1 . . . . 9 PHE HD2 . 6857 3
59 . 1 1 9 9 PHE HE1 H 1 6.867 0.006 . 1 . . . . 9 PHE HE1 . 6857 3
60 . 1 1 9 9 PHE HE2 H 1 6.867 0.006 . 1 . . . . 9 PHE HE2 . 6857 3
61 . 1 1 10 10 PHE H H 1 7.936 0.005 . 1 . . . . 10 PHE H . 6857 3
62 . 1 1 10 10 PHE HA H 1 4.183 0.005 . 1 . . . . 10 PHE HA . 6857 3
63 . 1 1 10 10 PHE HB2 H 1 3.132 0.004 . 1 . . . . 10 PHE HB2 . 6857 3
64 . 1 1 10 10 PHE HB3 H 1 3.286 0.002 . 1 . . . . 10 PHE HB3 . 6857 3
65 . 1 1 10 10 PHE HD1 H 1 6.75 0.006 . 1 . . . . 10 PHE HD1 . 6857 3
66 . 1 1 10 10 PHE HD2 H 1 6.75 0.006 . 1 . . . . 10 PHE HD2 . 6857 3
67 . 1 1 10 10 PHE HE1 H 1 6.838 0.051 . 1 . . . . 10 PHE HE1 . 6857 3
68 . 1 1 10 10 PHE HE2 H 1 6.838 0.051 . 1 . . . . 10 PHE HE2 . 6857 3
69 . 1 1 11 11 LYS H H 1 8.449 0.005 . 1 . . . . 11 LYS H . 6857 3
70 . 1 1 11 11 LYS HA H 1 3.906 0.005 . 1 . . . . 11 LYS HA . 6857 3
71 . 1 1 11 11 LYS HB2 H 1 1.668 0.012 . 1 . . . . 11 LYS HB2 . 6857 3
72 . 1 1 11 11 LYS HB3 H 1 1.818 0.005 . 1 . . . . 11 LYS HB3 . 6857 3
73 . 1 1 11 11 LYS HG2 H 1 1.379 0.024 . 1 . . . . 11 LYS HG2 . 6857 3
74 . 1 1 11 11 LYS HG3 H 1 1.379 0.024 . 1 . . . . 11 LYS HG3 . 6857 3
75 . 1 1 11 11 LYS HD2 H 1 1.622 0.016 . 1 . . . . 11 LYS HD2 . 6857 3
76 . 1 1 11 11 LYS HD3 H 1 1.622 0.016 . 1 . . . . 11 LYS HD3 . 6857 3
77 . 1 1 11 11 LYS HE2 H 1 2.924 0.023 . 1 . . . . 11 LYS HE2 . 6857 3
78 . 1 1 11 11 LYS HE3 H 1 2.841 0.017 . 1 . . . . 11 LYS HE3 . 6857 3
79 . 1 1 12 12 ASN H H 1 7.64 0.002 . 1 . . . . 12 ASN H . 6857 3
80 . 1 1 12 12 ASN HA H 1 4.486 0.003 . 1 . . . . 12 ASN HA . 6857 3
81 . 1 1 12 12 ASN HB2 H 1 2.577 0.003 . 1 . . . . 12 ASN HB2 . 6857 3
82 . 1 1 12 12 ASN HB3 H 1 2.656 0.005 . 1 . . . . 12 ASN HB3 . 6857 3
83 . 1 1 13 13 ILE H H 1 7.351 0.003 . 1 . . . . 13 ILE H . 6857 3
84 . 1 1 13 13 ILE HA H 1 3.964 0.003 . 1 . . . . 13 ILE HA . 6857 3
85 . 1 1 13 13 ILE HB H 1 1.792 0.006 . 1 . . . . 13 ILE HB . 6857 3
86 . 1 1 13 13 ILE HG12 H 1 1.065 0.005 . 1 . . . . 13 ILE HG12 . 6857 3
87 . 1 1 13 13 ILE HG13 H 1 1.373 0.004 . 1 . . . . 13 ILE HG13 . 6857 3
88 . 1 1 13 13 ILE HG21 H 1 0.792 0.004 . 1 . . . . 13 ILE HG2 . 6857 3
89 . 1 1 13 13 ILE HG22 H 1 0.792 0.004 . 1 . . . . 13 ILE HG2 . 6857 3
90 . 1 1 13 13 ILE HG23 H 1 0.792 0.004 . 1 . . . . 13 ILE HG2 . 6857 3
91 . 1 1 13 13 ILE HD11 H 1 0.64 0.005 . 1 . . . . 13 ILE HD1 . 6857 3
92 . 1 1 13 13 ILE HD12 H 1 0.64 0.005 . 1 . . . . 13 ILE HD1 . 6857 3
93 . 1 1 13 13 ILE HD13 H 1 0.64 0.005 . 1 . . . . 13 ILE HD1 . 6857 3
94 . 1 1 14 14 VAL H H 1 7.335 0.004 . 1 . . . . 14 VAL H . 6857 3
95 . 1 1 14 14 VAL HA H 1 4.135 0.002 . 1 . . . . 14 VAL HA . 6857 3
96 . 1 1 14 14 VAL HB H 1 2.17 0.014 . 1 . . . . 14 VAL HB . 6857 3
97 . 1 1 14 14 VAL HG11 H 1 0.896 0.007 . 2 . . . . 14 VAL HG1 . 6857 3
98 . 1 1 14 14 VAL HG12 H 1 0.896 0.007 . 2 . . . . 14 VAL HG1 . 6857 3
99 . 1 1 14 14 VAL HG13 H 1 0.896 0.007 . 2 . . . . 14 VAL HG1 . 6857 3
100 . 1 1 14 14 VAL HG21 H 1 0.896 0.007 . 2 . . . . 14 VAL HG2 . 6857 3
101 . 1 1 14 14 VAL HG22 H 1 0.896 0.007 . 2 . . . . 14 VAL HG2 . 6857 3
102 . 1 1 14 14 VAL HG23 H 1 0.896 0.007 . 2 . . . . 14 VAL HG2 . 6857 3
103 . 1 1 15 15 THR H H 1 7.694 0.002 . 1 . . . . 15 THR H . 6857 3
104 . 1 1 15 15 THR HA H 1 4.511 0.004 . 1 . . . . 15 THR HA . 6857 3
105 . 1 1 15 15 THR HB H 1 4.147 0.008 . 1 . . . . 15 THR HB . 6857 3
106 . 1 1 15 15 THR HG21 H 1 1.221 0.003 . 1 . . . . 15 THR HG2 . 6857 3
107 . 1 1 15 15 THR HG22 H 1 1.221 0.003 . 1 . . . . 15 THR HG2 . 6857 3
108 . 1 1 15 15 THR HG23 H 1 1.221 0.003 . 1 . . . . 15 THR HG2 . 6857 3
109 . 1 1 16 16 PRO HA H 1 4.458 0.004 . 1 . . . . 16 PRO HA . 6857 3
110 . 1 1 16 16 PRO HB2 H 1 1.919 0.009 . 1 . . . . 16 PRO HB2 . 6857 3
111 . 1 1 16 16 PRO HB3 H 1 2.307 0.003 . 1 . . . . 16 PRO HB3 . 6857 3
112 . 1 1 16 16 PRO HG2 H 1 1.957 0.013 . 1 . . . . 16 PRO HG2 . 6857 3
113 . 1 1 16 16 PRO HG3 H 1 2.029 0.004 . 1 . . . . 16 PRO HG3 . 6857 3
114 . 1 1 16 16 PRO HD2 H 1 3.635 0.009 . 1 . . . . 16 PRO HD2 . 6857 3
115 . 1 1 16 16 PRO HD3 H 1 3.774 0.006 . 1 . . . . 16 PRO HD3 . 6857 3
116 . 1 1 17 17 ARG H H 1 8.367 0.005 . 1 . . . . 17 ARG H . 6857 3
117 . 1 1 17 17 ARG HA H 1 4.401 0.01 . 1 . . . . 17 ARG HA . 6857 3
118 . 1 1 17 17 ARG HB2 H 1 1.788 0.018 . 1 . . . . 17 ARG HB2 . 6857 3
119 . 1 1 17 17 ARG HB3 H 1 1.92 0.007 . 1 . . . . 17 ARG HB3 . 6857 3
120 . 1 1 17 17 ARG HG2 H 1 1.683 0.014 . 1 . . . . 17 ARG HG2 . 6857 3
121 . 1 1 17 17 ARG HG3 H 1 1.683 0.014 . 1 . . . . 17 ARG HG3 . 6857 3
122 . 1 1 17 17 ARG HD2 H 1 3.215 0.004 . 1 . . . . 17 ARG HD2 . 6857 3
123 . 1 1 17 17 ARG HD3 H 1 3.215 0.004 . 1 . . . . 17 ARG HD3 . 6857 3
124 . 1 1 17 17 ARG HE H 1 7.119 0.001 . 1 . . . . 17 ARG HE . 6857 3
125 . 1 1 18 18 THR H H 1 7.663 0.003 . 1 . . . . 18 THR H . 6857 3
126 . 1 1 18 18 THR HA H 1 4.138 0.006 . 1 . . . . 18 THR HA . 6857 3
127 . 1 1 18 18 THR HB H 1 4.229 0.003 . 1 . . . . 18 THR HB . 6857 3
128 . 1 1 18 18 THR HG21 H 1 1.144 0.003 . 1 . . . . 18 THR HG2 . 6857 3
129 . 1 1 18 18 THR HG22 H 1 1.144 0.003 . 1 . . . . 18 THR HG2 . 6857 3
130 . 1 1 18 18 THR HG23 H 1 1.144 0.003 . 1 . . . . 18 THR HG2 . 6857 3
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