Content for NMR-STAR saveframe, "chem_shift_list_2"
save_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 6857
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_2
_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)' 2 $sample_2 isotropic 6857 2
3 '1H-13C HSQC (natural abundance)' 2 $sample_2 isotropic 6857 2
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 2
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.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 8.038 0.001 . 1 . . . . 1 GLN H . 6857 2
2 . 1 1 1 1 GLN HA H 1 4.443 0.13 . 1 . . . . 1 GLN HA . 6857 2
3 . 1 1 1 1 GLN HB2 H 1 2.312 0.021 . 1 . . . . 1 GLN HB2 . 6857 2
4 . 1 1 1 1 GLN HB3 H 1 2.312 0.001 . 1 . . . . 1 GLN HB3 . 6857 2
5 . 1 1 1 1 GLN HG2 H 1 2.766 0.009 . 1 . . . . 1 GLN HG2 . 6857 2
6 . 1 1 1 1 GLN HG3 H 1 2.645 0.002 . 1 . . . . 1 GLN HG3 . 6857 2
7 . 1 1 1 1 GLN CA C 13 59.2 0.1 . 1 . . . . 1 GLN CA . 6857 2
8 . 1 1 2 2 ASP H H 1 8.686 0.003 . 1 . . . . 2 ASP H . 6857 2
9 . 1 1 2 2 ASP HA H 1 4.932 0.009 . 1 . . . . 2 ASP HA . 6857 2
10 . 1 1 2 2 ASP HB2 H 1 3.092 0.001 . 1 . . . . 2 ASP HB2 . 6857 2
11 . 1 1 2 2 ASP HB3 H 1 3.092 0.001 . 1 . . . . 2 ASP HB3 . 6857 2
12 . 1 1 2 2 ASP CA C 13 52.5 0.1 . 1 . . . . 2 ASP CA . 6857 2
13 . 1 1 3 3 GLU H H 1 8.56 0.001 . 1 . . . . 3 GLU H . 6857 2
14 . 1 1 3 3 GLU HA H 1 4.626 0.002 . 1 . . . . 3 GLU HA . 6857 2
15 . 1 1 3 3 GLU HB2 H 1 2.312 0.002 . 1 . . . . 3 GLU HB2 . 6857 2
16 . 1 1 3 3 GLU HB3 H 1 2.163 0.013 . 1 . . . . 3 GLU HB3 . 6857 2
17 . 1 1 3 3 GLU HG2 H 1 2.657 0.006 . 1 . . . . 3 GLU HG2 . 6857 2
18 . 1 1 3 3 GLU HG3 H 1 2.651 0.001 . 1 . . . . 3 GLU HG3 . 6857 2
19 . 1 1 3 3 GLU CA C 13 55.2 0.1 . 1 . . . . 3 GLU CA . 6857 2
20 . 1 1 4 4 ASN H H 1 8.378 0.001 . 1 . . . . 4 ASN H . 6857 2
21 . 1 1 4 4 ASN HA H 1 5.134 0.006 . 1 . . . . 4 ASN HA . 6857 2
22 . 1 1 4 4 ASN HB2 H 1 3.116 0.003 . 1 . . . . 4 ASN HB2 . 6857 2
23 . 1 1 4 4 ASN HB3 H 1 3.122 0.003 . 1 . . . . 4 ASN HB3 . 6857 2
24 . 1 1 4 4 ASN HD21 H 1 6.798 0.001 . 1 . . . . 4 ASN HD21 . 6857 2
25 . 1 1 4 4 ASN HD22 H 1 7.95 0.001 . 1 . . . . 4 ASN HD22 . 6857 2
26 . 1 1 4 4 ASN CA C 13 51.2 0.1 . 1 . . . . 4 ASN CA . 6857 2
27 . 1 1 5 5 PRO HA H 1 4.597 0.015 . 1 . . . . 5 PRO HA . 6857 2
28 . 1 1 5 5 PRO HB2 H 1 2.621 0.007 . 1 . . . . 5 PRO HB2 . 6857 2
29 . 1 1 5 5 PRO HB3 H 1 2.188 0.005 . 1 . . . . 5 PRO HB3 . 6857 2
30 . 1 1 5 5 PRO HG2 H 1 2.306 0.003 . 1 . . . . 5 PRO HG2 . 6857 2
31 . 1 1 5 5 PRO HG3 H 1 2.284 0.001 . 1 . . . . 5 PRO HG3 . 6857 2
32 . 1 1 5 5 PRO HD2 H 1 4.038 0.008 . 1 . . . . 5 PRO HD2 . 6857 2
33 . 1 1 5 5 PRO HD3 H 1 4.15 0.004 . 1 . . . . 5 PRO HD3 . 6857 2
34 . 1 1 5 5 PRO CA C 13 64.3 0.1 . 1 . . . . 5 PRO CA . 6857 2
35 . 1 1 6 6 VAL H H 1 8.11 0.001 . 1 . . . . 6 VAL H . 6857 2
36 . 1 1 6 6 VAL HA H 1 4.018 0.006 . 1 . . . . 6 VAL HA . 6857 2
37 . 1 1 6 6 VAL HB H 1 2.436 0.001 . 1 . . . . 6 VAL HB . 6857 2
38 . 1 1 6 6 VAL HG11 H 1 1.224 0.005 . 2 . . . . 6 VAL HG1 . 6857 2
39 . 1 1 6 6 VAL HG12 H 1 1.224 0.005 . 2 . . . . 6 VAL HG1 . 6857 2
40 . 1 1 6 6 VAL HG13 H 1 1.224 0.005 . 2 . . . . 6 VAL HG1 . 6857 2
41 . 1 1 6 6 VAL HG21 H 1 1.238 0.005 . 2 . . . . 6 VAL HG2 . 6857 2
42 . 1 1 6 6 VAL HG22 H 1 1.238 0.005 . 2 . . . . 6 VAL HG2 . 6857 2
43 . 1 1 6 6 VAL HG23 H 1 1.238 0.005 . 2 . . . . 6 VAL HG2 . 6857 2
44 . 1 1 6 6 VAL CA C 13 64.8 0.1 . 1 . . . . 6 VAL CA . 6857 2
45 . 1 1 7 7 VAL H H 1 7.8 0.001 . 1 . . . . 7 VAL H . 6857 2
46 . 1 1 7 7 VAL HA H 1 3.975 0.011 . 1 . . . . 7 VAL HA . 6857 2
47 . 1 1 7 7 VAL HB H 1 2.296 0.002 . 1 . . . . 7 VAL HB . 6857 2
48 . 1 1 7 7 VAL HG11 H 1 1.241 0.008 . 2 . . . . 7 VAL HG1 . 6857 2
49 . 1 1 7 7 VAL HG12 H 1 1.241 0.008 . 2 . . . . 7 VAL HG1 . 6857 2
50 . 1 1 7 7 VAL HG13 H 1 1.241 0.008 . 2 . . . . 7 VAL HG1 . 6857 2
51 . 1 1 7 7 VAL HG21 H 1 1.189 0.013 . 2 . . . . 7 VAL HG2 . 6857 2
52 . 1 1 7 7 VAL HG22 H 1 1.189 0.013 . 2 . . . . 7 VAL HG2 . 6857 2
53 . 1 1 7 7 VAL HG23 H 1 1.189 0.013 . 2 . . . . 7 VAL HG2 . 6857 2
54 . 1 1 7 7 VAL CA C 13 64.6 0.1 . 1 . . . . 7 VAL CA . 6857 2
55 . 1 1 8 8 HIS H H 1 8.299 0.002 . 1 . . . . 8 HIS H . 6857 2
56 . 1 1 8 8 HIS HA H 1 4.458 0.002 . 1 . . . . 8 HIS HA . 6857 2
57 . 1 1 8 8 HIS HB2 H 1 3.479 0.011 . 1 . . . . 8 HIS HB2 . 6857 2
58 . 1 1 8 8 HIS HB3 H 1 3.685 0.001 . 1 . . . . 8 HIS HB3 . 6857 2
59 . 1 1 8 8 HIS HD1 H 1 7.471 0.002 . 1 . . . . 8 HIS HD1 . 6857 2
60 . 1 1 8 8 HIS HE1 H 1 8.825 0.001 . 1 . . . . 8 HIS HE1 . 6857 2
61 . 1 1 8 8 HIS HE2 H 1 8.524 0.001 . 1 . . . . 8 HIS HE2 . 6857 2
62 . 1 1 8 8 HIS CA C 13 58.3 0.1 . 1 . . . . 8 HIS CA . 6857 2
63 . 1 1 9 9 PHE H H 1 8.304 0.005 . 1 . . . . 9 PHE H . 6857 2
64 . 1 1 9 9 PHE HA H 1 4.455 0.007 . 1 . . . . 9 PHE HA . 6857 2
65 . 1 1 9 9 PHE HB2 H 1 3.406 0.008 . 1 . . . . 9 PHE HB2 . 6857 2
66 . 1 1 9 9 PHE HB3 H 1 3.448 0.009 . 1 . . . . 9 PHE HB3 . 6857 2
67 . 1 1 9 9 PHE HD1 H 1 7.112 0.001 . 3 . . . . 9 PHE HD1 . 6857 2
68 . 1 1 9 9 PHE HD2 H 1 7.11 0.001 . 3 . . . . 9 PHE HD2 . 6857 2
69 . 1 1 9 9 PHE HE1 H 1 7.036 0.002 . 3 . . . . 9 PHE HE1 . 6857 2
70 . 1 1 9 9 PHE HE2 H 1 7.03 0.001 . 3 . . . . 9 PHE HE2 . 6857 2
71 . 1 1 9 9 PHE CA C 13 60.2 0.1 . 1 . . . . 9 PHE CA . 6857 2
72 . 1 1 10 10 PHE H H 1 8.524 0.001 . 1 . . . . 10 PHE H . 6857 2
73 . 1 1 10 10 PHE HA H 1 4.369 0.01 . 1 . . . . 10 PHE HA . 6857 2
74 . 1 1 10 10 PHE HB2 H 1 3.355 0.011 . 1 . . . . 10 PHE HB2 . 6857 2
75 . 1 1 10 10 PHE HB3 H 1 3.315 0.01 . 1 . . . . 10 PHE HB3 . 6857 2
76 . 1 1 10 10 PHE HD1 H 1 7.476 0.002 . 3 . . . . 10 PHE HD1 . 6857 2
77 . 1 1 10 10 PHE HD2 H 1 7.472 0.001 . 3 . . . . 10 PHE HD2 . 6857 2
78 . 1 1 10 10 PHE HE1 H 1 7.191 0.001 . 3 . . . . 10 PHE HE1 . 6857 2
79 . 1 1 10 10 PHE HE2 H 1 7.179 0.01 . 3 . . . . 10 PHE HE2 . 6857 2
80 . 1 1 10 10 PHE CA C 13 60.7 0.1 . 1 . . . . 10 PHE CA . 6857 2
81 . 1 1 11 11 LYS H H 1 8.691 0.001 . 1 . . . . 11 LYS H . 6857 2
82 . 1 1 11 11 LYS HA H 1 4.24 0.009 . 1 . . . . 11 LYS HA . 6857 2
83 . 1 1 11 11 LYS HB2 H 1 2.08 0.003 . 1 . . . . 11 LYS HB2 . 6857 2
84 . 1 1 11 11 LYS HB3 H 1 2.06 0.007 . 1 . . . . 11 LYS HB3 . 6857 2
85 . 1 1 11 11 LYS HG2 H 1 1.84 0.018 . 1 . . . . 11 LYS HG2 . 6857 2
86 . 1 1 11 11 LYS HG3 H 1 1.765 0.001 . 1 . . . . 11 LYS HG3 . 6857 2
87 . 1 1 11 11 LYS HD2 H 1 1.62 0.001 . 1 . . . . 11 LYS HD2 . 6857 2
88 . 1 1 11 11 LYS HD3 H 1 1.674 0.017 . 1 . . . . 11 LYS HD3 . 6857 2
89 . 1 1 11 11 LYS HE2 H 1 3.18 0.001 . 1 . . . . 11 LYS HE2 . 6857 2
90 . 1 1 11 11 LYS HE3 H 1 3.165 0.005 . 1 . . . . 11 LYS HE3 . 6857 2
91 . 1 1 11 11 LYS HZ1 H 1 7.823 0.001 . 1 . . . . 11 LYS HZ . 6857 2
92 . 1 1 11 11 LYS HZ2 H 1 7.823 0.001 . 1 . . . . 11 LYS HZ . 6857 2
93 . 1 1 11 11 LYS HZ3 H 1 7.823 0.001 . 1 . . . . 11 LYS HZ . 6857 2
94 . 1 1 11 11 LYS CA C 13 57.5 0.1 . 1 . . . . 11 LYS CA . 6857 2
95 . 1 1 12 12 ASN H H 1 7.993 0.001 . 1 . . . . 12 ASN H . 6857 2
96 . 1 1 12 12 ASN HA H 1 4.771 0.006 . 1 . . . . 12 ASN HA . 6857 2
97 . 1 1 12 12 ASN HB2 H 1 2.914 0.001 . 1 . . . . 12 ASN HB2 . 6857 2
98 . 1 1 12 12 ASN HB3 H 1 2.924 0.002 . 1 . . . . 12 ASN HB3 . 6857 2
99 . 1 1 12 12 ASN HD21 H 1 7.571 0.001 . 1 . . . . 12 ASN HD21 . 6857 2
100 . 1 1 12 12 ASN HD22 H 1 6.919 0.002 . 1 . . . . 12 ASN HD22 . 6857 2
101 . 1 1 12 12 ASN CA C 13 53.7 0.1 . 1 . . . . 12 ASN CA . 6857 2
102 . 1 1 13 13 ILE H H 1 7.829 0.002 . 1 . . . . 13 ILE H . 6857 2
103 . 1 1 13 13 ILE HA H 1 4.247 0.004 . 1 . . . . 13 ILE HA . 6857 2
104 . 1 1 13 13 ILE HB H 1 2.034 0.002 . 1 . . . . 13 ILE HB . 6857 2
105 . 1 1 13 13 ILE HG12 H 1 1.267 0.007 . 1 . . . . 13 ILE HG12 . 6857 2
106 . 1 1 13 13 ILE HG13 H 1 0.979 0.03 . 1 . . . . 13 ILE HG13 . 6857 2
107 . 1 1 13 13 ILE HG21 H 1 1.557 0.011 . 1 . . . . 13 ILE HG2 . 6857 2
108 . 1 1 13 13 ILE HG22 H 1 1.557 0.011 . 1 . . . . 13 ILE HG2 . 6857 2
109 . 1 1 13 13 ILE HG23 H 1 1.557 0.011 . 1 . . . . 13 ILE HG2 . 6857 2
110 . 1 1 13 13 ILE HD11 H 1 0.893 0.007 . 1 . . . . 13 ILE HD1 . 6857 2
111 . 1 1 13 13 ILE HD12 H 1 0.893 0.007 . 1 . . . . 13 ILE HD1 . 6857 2
112 . 1 1 13 13 ILE HD13 H 1 0.893 0.007 . 1 . . . . 13 ILE HD1 . 6857 2
113 . 1 1 13 13 ILE CA C 13 61.7 0.1 . 1 . . . . 13 ILE CA . 6857 2
114 . 1 1 14 14 VAL H H 1 7.833 0.001 . 1 . . . . 14 VAL H . 6857 2
115 . 1 1 14 14 VAL HA H 1 4.304 0.008 . 1 . . . . 14 VAL HA . 6857 2
116 . 1 1 14 14 VAL HB H 1 2.326 0.003 . 1 . . . . 14 VAL HB . 6857 2
117 . 1 1 14 14 VAL HG11 H 1 1.044 0.008 . 2 . . . . 14 VAL HG1 . 6857 2
118 . 1 1 14 14 VAL HG12 H 1 1.044 0.008 . 2 . . . . 14 VAL HG1 . 6857 2
119 . 1 1 14 14 VAL HG13 H 1 1.044 0.008 . 2 . . . . 14 VAL HG1 . 6857 2
120 . 1 1 14 14 VAL HG21 H 1 1.065 0.007 . 2 . . . . 14 VAL HG2 . 6857 2
121 . 1 1 14 14 VAL HG22 H 1 1.065 0.007 . 2 . . . . 14 VAL HG2 . 6857 2
122 . 1 1 14 14 VAL HG23 H 1 1.065 0.007 . 2 . . . . 14 VAL HG2 . 6857 2
123 . 1 1 14 14 VAL CA C 13 62 0.1 . 1 . . . . 14 VAL CA . 6857 2
124 . 1 1 15 15 THR H H 1 7.905 0.012 . 1 . . . . 15 THR H . 6857 2
125 . 1 1 15 15 THR HA H 1 4.743 0.003 . 1 . . . . 15 THR HA . 6857 2
126 . 1 1 15 15 THR HB H 1 4.417 0.008 . 1 . . . . 15 THR HB . 6857 2
127 . 1 1 15 15 THR HG21 H 1 1.456 0.003 . 1 . . . . 15 THR HG2 . 6857 2
128 . 1 1 15 15 THR HG22 H 1 1.456 0.003 . 1 . . . . 15 THR HG2 . 6857 2
129 . 1 1 15 15 THR HG23 H 1 1.456 0.003 . 1 . . . . 15 THR HG2 . 6857 2
130 . 1 1 15 15 THR CA C 13 59.8 0.1 . 1 . . . . 15 THR CA . 6857 2
131 . 1 1 16 16 PRO HA H 1 4.653 0.003 . 1 . . . . 16 PRO HA . 6857 2
132 . 1 1 16 16 PRO HB2 H 1 2.532 0.002 . 1 . . . . 16 PRO HB2 . 6857 2
133 . 1 1 16 16 PRO HB3 H 1 2.139 0.001 . 1 . . . . 16 PRO HB3 . 6857 2
134 . 1 1 16 16 PRO HG2 H 1 2.242 0.001 . 1 . . . . 16 PRO HG2 . 6857 2
135 . 1 1 16 16 PRO HG3 H 1 2.217 0.003 . 1 . . . . 16 PRO HG3 . 6857 2
136 . 1 1 16 16 PRO HD2 H 1 4.068 0.008 . 1 . . . . 16 PRO HD2 . 6857 2
137 . 1 1 16 16 PRO HD3 H 1 3.873 0.004 . 1 . . . . 16 PRO HD3 . 6857 2
138 . 1 1 16 16 PRO CA C 13 62.7 0.1 . 1 . . . . 16 PRO CA . 6857 2
139 . 1 1 17 17 ARG H H 1 8.437 0.014 . 1 . . . . 17 ARG H . 6857 2
140 . 1 1 17 17 ARG HA H 1 4.663 0.004 . 1 . . . . 17 ARG HA . 6857 2
141 . 1 1 17 17 ARG HB2 H 1 2.157 0.004 . 1 . . . . 17 ARG HB2 . 6857 2
142 . 1 1 17 17 ARG HB3 H 1 2.001 0.003 . 1 . . . . 17 ARG HB3 . 6857 2
143 . 1 1 17 17 ARG HG2 H 1 1.944 0.007 . 1 . . . . 17 ARG HG2 . 6857 2
144 . 1 1 17 17 ARG HG3 H 1 1.91 0.001 . 1 . . . . 17 ARG HG3 . 6857 2
145 . 1 1 17 17 ARG HD2 H 1 3.441 0.008 . 1 . . . . 17 ARG HD2 . 6857 2
146 . 1 1 17 17 ARG HD3 H 1 3.43 0.001 . 1 . . . . 17 ARG HD3 . 6857 2
147 . 1 1 17 17 ARG HE H 1 7.418 0.001 . 1 . . . . 17 ARG HE . 6857 2
148 . 1 1 17 17 ARG CA C 13 55.2 0.1 . 1 . . . . 17 ARG CA . 6857 2
149 . 1 1 18 18 THR H H 1 8.198 0.008 . 1 . . . . 18 THR H . 6857 2
150 . 1 1 18 18 THR HA H 1 4.684 0.001 . 1 . . . . 18 THR HA . 6857 2
151 . 1 1 18 18 THR HB H 1 4.63 0.001 . 1 . . . . 18 THR HB . 6857 2
152 . 1 1 18 18 THR HG21 H 1 1.419 0.008 . 1 . . . . 18 THR HG2 . 6857 2
153 . 1 1 18 18 THR HG22 H 1 1.419 0.008 . 1 . . . . 18 THR HG2 . 6857 2
154 . 1 1 18 18 THR HG23 H 1 1.419 0.008 . 1 . . . . 18 THR HG2 . 6857 2
155 . 1 1 18 18 THR CA C 13 59.9 0.1 . 1 . . . . 18 THR CA . 6857 2
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save_