Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 52188
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'Recorded at 25C'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
4 '1D 1H' . . . 52188 2
5 '2D 1H-1H NOESY' . . . 52188 2
6 '2D 1H-1H TOCSY' . . . 52188 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
4 $software_4 . . 52188 2
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 6NA H6C1 H 1 0.812 0.006 . 1 . . . . . 1 6NA H6C1 . 52188 2
2 . 1 . 1 1 1 6NA HAC1 H 1 2.097 0.005 . 1 . . . . . 1 6NA HAC1 . 52188 2
3 . 1 . 1 1 1 6NA HAC2 H 1 2.097 0.005 . 1 . . . . . 1 6NA HAC2 . 52188 2
4 . 1 . 1 1 1 6NA HBC1 H 1 1.443 0.007 . 1 . . . . . 1 6NA HBC1 . 52188 2
5 . 1 . 1 1 1 6NA HBC2 H 1 1.443 0.007 . 1 . . . . . 1 6NA HBC2 . 52188 2
6 . 1 . 1 1 1 6NA HDC1 H 1 1.200 0.007 . 1 . . . . . 1 6NA HDC1 . 52188 2
7 . 1 . 1 1 1 6NA HDC2 H 1 1.200 0.007 . 1 . . . . . 1 6NA HDC2 . 52188 2
8 . 1 . 1 1 1 6NA HGC1 H 1 1.155 0.004 . 1 . . . . . 1 6NA HGC1 . 52188 2
9 . 1 . 1 1 1 6NA HGC2 H 1 1.155 0.004 . 1 . . . . . 1 6NA HGC2 . 52188 2
10 . 1 . 1 2 2 ASN H H 1 8.080 0.000 . 1 . . . . . 2 ASN H . 52188 2
11 . 1 . 1 2 2 ASN HA H 1 4.497 0.000 . 1 . . . . . 2 ASN HA . 52188 2
12 . 1 . 1 2 2 ASN HB2 H 1 2.438 0.000 . 2 . . . . . 2 ASN HB2 . 52188 2
13 . 1 . 1 2 2 ASN HB3 H 1 2.252 0.000 . 2 . . . . . 2 ASN HB3 . 52188 2
14 . 1 . 1 2 2 ASN HD21 H 1 7.149 0.000 . 2 . . . . . 2 ASN HD21 . 52188 2
15 . 1 . 1 2 2 ASN HD22 H 1 6.551 0.000 . 2 . . . . . 2 ASN HD22 . 52188 2
16 . 1 . 1 3 3 DPP H H 1 8.192 0.002 . 1 . . . . . 3 DPP H . 52188 2
17 . 1 . 1 3 3 DPP HA H 1 4.709 0.000 . 1 . . . . . 3 DPP HA . 52188 2
18 . 1 . 1 3 3 DPP HB2 H 1 3.950 0.000 . 2 . . . . . 3 DPP HB2 . 52188 2
19 . 1 . 1 3 3 DPP HB3 H 1 3.250 0.000 . 2 . . . . . 3 DPP HB3 . 52188 2
20 . 1 . 1 3 3 DPP HG1 H 1 7.548 0.000 . 1 . . . . . 3 DPP HG1 . 52188 2
21 . 1 . 1 4 4 DGH H H 1 9.069 0.000 . 1 . . . . . 4 DGH H . 52188 2
22 . 1 . 1 4 4 DGH HA H 1 7.432 0.000 . 1 . . . . . 4 DGH HA . 52188 2
23 . 1 . 1 4 4 DGH HB H 1 5.789 0.000 . 1 . . . . . 4 DGH HB . 52188 2
24 . 1 . 1 4 4 DGH HD H 1 6.921 0.000 . 1 . . . . . 4 DGH HD . 52188 2
25 . 1 . 1 4 4 DGH HC H 1 7.432 0.000 . 1 . . . . . 4 DGH HC . 52188 2
26 . 1 . 1 4 4 DGH HF H 1 6.921 0.000 . 1 . . . . . 4 DGH HF . 52188 2
27 . 1 . 1 5 5 ORD H H 1 8.841 0.003 . 1 . . . . . 5 ORD H . 52188 2
28 . 1 . 1 5 5 ORD HA H 1 4.191 0.000 . 1 . . . . . 5 ORD HA . 52188 2
29 . 1 . 1 5 5 ORD HB2 H 1 1.301 0.000 . 2 . . . . . 5 ORD HB2 . 52188 2
30 . 1 . 1 5 5 ORD HB3 H 1 0.618 0.000 . 2 . . . . . 5 ORD HB3 . 52188 2
31 . 1 . 1 5 5 ORD HG2 H 1 1.317 0.000 . 1 . . . . . 5 ORD HG2 . 52188 2
32 . 1 . 1 5 5 ORD HG3 H 1 1.317 0.000 . 1 . . . . . 5 ORD HG3 . 52188 2
33 . 1 . 1 5 5 ORD HD2 H 1 2.555 0.002 . 1 . . . . . 5 ORD HD2 . 52188 2
34 . 1 . 1 5 5 ORD HD3 H 1 2.555 0.002 . 1 . . . . . 5 ORD HD3 . 52188 2
35 . 1 . 1 6 6 DTH H H 1 7.552 0.003 . 1 . . . . . 6 DTH H . 52188 2
36 . 1 . 1 6 6 DTH HA H 1 4.532 0.000 . 1 . . . . . 6 DTH HA . 52188 2
37 . 1 . 1 6 6 DTH HB H 1 4.057 0.000 . 1 . . . . . 6 DTH HB . 52188 2
38 . 1 . 1 6 6 DTH HG21 H 1 0.998 0.000 . 1 . . . . . 6 DTH HG21 . 52188 2
39 . 1 . 1 6 6 DTH HG22 H 1 0.998 0.000 . 1 . . . . . 6 DTH HG21 . 52188 2
40 . 1 . 1 6 6 DTH HG23 H 1 0.998 0.000 . 1 . . . . . 6 DTH HG21 . 52188 2
41 . 1 . 1 7 7 D4P H H 1 8.919 0.004 . 1 . . . . . 7 D4P H . 52188 2
42 . 1 . 1 7 7 D4P H2 H 1 6.829 0.000 . 1 . . . . . 7 D4P H2 . 52188 2
43 . 1 . 1 7 7 D4P H3 H 1 6.506 0.000 . 1 . . . . . 7 D4P H3 . 52188 2
44 . 1 . 1 7 7 D4P H5 H 1 6.506 0.000 . 1 . . . . . 7 D4P H5 . 52188 2
45 . 1 . 1 7 7 D4P H6 H 1 6.829 0.000 . 1 . . . . . 7 D4P H6 . 52188 2
46 . 1 . 1 7 7 D4P HA H 1 6.573 0.000 . 1 . . . . . 7 D4P HA . 52188 2
47 . 1 . 1 8 8 DGH H H 1 8.890 0.002 . 1 . . . . . 8 DGH H . 52188 2
48 . 1 . 1 8 8 DGH HA H 1 6.797 0.000 . 1 . . . . . 8 DGH HA . 52188 2
49 . 1 . 1 8 8 DGH HB H 1 5.427 0.000 . 1 . . . . . 8 DGH HB . 52188 2
50 . 1 . 1 8 8 DGH HD H 1 6.547 0.000 . 1 . . . . . 8 DGH HD . 52188 2
51 . 1 . 1 8 8 DGH HC H 1 6.797 0.000 . 1 . . . . . 8 DGH HC . 52188 2
52 . 1 . 1 8 8 DGH HF H 1 6.547 0.000 . 1 . . . . . 8 DGH HF . 52188 2
53 . 1 . 1 9 9 THR H H 1 8.468 0.000 . 1 . . . . . 9 THR H . 52188 2
54 . 1 . 1 9 9 THR HA H 1 3.590 0.000 . 1 . . . . . 9 THR HA . 52188 2
55 . 1 . 1 9 9 THR HB H 1 3.797 0.000 . 1 . . . . . 9 THR HB . 52188 2
56 . 1 . 1 9 9 THR HG21 H 1 0.902 0.000 . 1 . . . . . 9 THR HG21 . 52188 2
57 . 1 . 1 9 9 THR HG22 H 1 0.902 0.000 . 1 . . . . . 9 THR HG21 . 52188 2
58 . 1 . 1 9 9 THR HG23 H 1 0.902 0.000 . 1 . . . . . 9 THR HG21 . 52188 2
59 . 1 . 1 10 10 PHE H H 1 7.678 0.001 . 1 . . . . . 10 PHE H . 52188 2
60 . 1 . 1 10 10 PHE HA H 1 4.386 0.000 . 1 . . . . . 10 PHE HA . 52188 2
61 . 1 . 1 10 10 PHE HB2 H 1 2.797 0.000 . 2 . . . . . 10 PHE HB2 . 52188 2
62 . 1 . 1 10 10 PHE HB3 H 1 2.348 0.000 . 2 . . . . . 10 PHE HB3 . 52188 2
63 . 1 . 1 10 10 PHE HD1 H 1 7.059 0.000 . 1 . . . . . 10 PHE HD1 . 52188 2
64 . 1 . 1 10 10 PHE HD2 H 1 7.059 0.000 . 1 . . . . . 10 PHE HD2 . 52188 2
65 . 1 . 1 10 10 PHE HE1 H 1 7.234 0.000 . 1 . . . . . 10 PHE HE1 . 52188 2
66 . 1 . 1 10 10 PHE HE2 H 1 7.234 0.000 . 1 . . . . . 10 PHE HE2 . 52188 2
67 . 1 . 1 10 10 PHE HZ H 1 7.207 0.005 . 1 . . . . . 10 PHE HZ . 52188 2
68 . 1 . 1 11 11 ORD H H 1 7.675 0.000 . 1 . . . . . 11 ORD H . 52188 2
69 . 1 . 1 11 11 ORD HA H 1 4.711 0.004 . 1 . . . . . 11 ORD HA . 52188 2
70 . 1 . 1 11 11 ORD HB2 H 1 1.971 0.000 . 2 . . . . . 11 ORD HB2 . 52188 2
71 . 1 . 1 11 11 ORD HB3 H 1 1.894 0.000 . 2 . . . . . 11 ORD HB3 . 52188 2
72 . 1 . 1 11 11 ORD HG2 H 1 1.609 0.007 . 1 . . . . . 11 ORD HG2 . 52188 2
73 . 1 . 1 11 11 ORD HG3 H 1 1.609 0.007 . 1 . . . . . 11 ORD HG3 . 52188 2
74 . 1 . 1 11 11 ORD HD2 H 1 2.958 0.000 . 1 . . . . . 11 ORD HD2 . 52188 2
75 . 1 . 1 11 11 ORD HD3 H 1 2.958 0.000 . 1 . . . . . 11 ORD HD3 . 52188 2
76 . 1 . 1 12 12 D4P H H 1 9.036 0.000 . 1 . . . . . 12 D4P H . 52188 2
77 . 1 . 1 12 12 D4P H2 H 1 7.212 0.000 . 1 . . . . . 12 D4P H2 . 52188 2
78 . 1 . 1 12 12 D4P H3 H 1 6.646 0.000 . 1 . . . . . 12 D4P H3 . 52188 2
79 . 1 . 1 12 12 D4P H5 H 1 6.646 0.000 . 1 . . . . . 12 D4P H5 . 52188 2
80 . 1 . 1 12 12 D4P H6 H 1 7.212 0.000 . 1 . . . . . 12 D4P H6 . 52188 2
81 . 1 . 1 12 12 D4P HA H 1 6.725 0.000 . 1 . . . . . 12 D4P HA . 52188 2
82 . 1 . 1 13 13 DTH H H 1 9.036 0.001 . 1 . . . . . 13 DTH H . 52188 2
83 . 1 . 1 13 13 DTH HA H 1 4.864 0.000 . 1 . . . . . 13 DTH HA . 52188 2
84 . 1 . 1 13 13 DTH HB H 1 4.215 0.000 . 1 . . . . . 13 DTH HB . 52188 2
85 . 1 . 1 13 13 DTH HG21 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 2
86 . 1 . 1 13 13 DTH HG22 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 2
87 . 1 . 1 13 13 DTH HG23 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 2
88 . 1 . 1 14 14 D4P H H 1 8.946 0.001 . 1 . . . . . 14 D4P H . 52188 2
89 . 1 . 1 14 14 D4P H2 H 1 7.174 0.000 . 1 . . . . . 14 D4P H2 . 52188 2
90 . 1 . 1 14 14 D4P HA H 1 5.940 0.000 . 1 . . . . . 14 D4P HA . 52188 2
91 . 1 . 1 14 14 D4P HD H 1 6.787 0.000 . 1 . . . . . 14 D4P HD . 52188 2
92 . 1 . 1 15 15 GLY H H 1 8.128 0.003 . 1 . . . . . 15 GLY H . 52188 2
93 . 1 . 1 15 15 GLY HA2 H 1 3.898 0.000 . 2 . . . . . 15 GLY HA2 . 52188 2
94 . 1 . 1 15 15 GLY HA3 H 1 3.721 0.000 . 2 . . . . . 15 GLY HA3 . 52188 2
95 . 1 . 1 16 16 LEU H H 1 8.435 0.000 . 1 . . . . . 16 LEU H . 52188 2
96 . 1 . 1 16 16 LEU HA H 1 4.257 0.000 . 1 . . . . . 16 LEU HA . 52188 2
97 . 1 . 1 16 16 LEU HB2 H 1 1.552 0.004 . 1 . . . . . 16 LEU HB2 . 52188 2
98 . 1 . 1 16 16 LEU HB3 H 1 1.552 0.004 . 1 . . . . . 16 LEU HB3 . 52188 2
99 . 1 . 1 16 16 LEU HD11 H 1 0.876 0.005 . 2 . . . . . 16 LEU HD11 . 52188 2
100 . 1 . 1 16 16 LEU HD12 H 1 0.876 0.005 . 2 . . . . . 16 LEU HD11 . 52188 2
101 . 1 . 1 16 16 LEU HD13 H 1 0.876 0.005 . 2 . . . . . 16 LEU HD11 . 52188 2
102 . 1 . 1 16 16 LEU HD21 H 1 0.810 0.000 . 2 . . . . . 16 LEU HD21 . 52188 2
103 . 1 . 1 16 16 LEU HD22 H 1 0.810 0.000 . 2 . . . . . 16 LEU HD21 . 52188 2
104 . 1 . 1 16 16 LEU HD23 H 1 0.810 0.000 . 2 . . . . . 16 LEU HD21 . 52188 2
105 . 1 . 1 17 17 DAL H H 1 8.885 0.002 . 1 . . . . . 17 DAL H . 52188 2
106 . 1 . 1 17 17 DAL HA H 1 4.351 0.000 . 1 . . . . . 17 DAL HA . 52188 2
107 . 1 . 1 17 17 DAL HB1 H 1 1.316 0.000 . 1 . . . . . 17 DAL HB1 . 52188 2
108 . 1 . 1 17 17 DAL HB2 H 1 1.316 0.000 . 1 . . . . . 17 DAL HB1 . 52188 2
109 . 1 . 1 17 17 DAL HB3 H 1 1.316 0.000 . 1 . . . . . 17 DAL HB1 . 52188 2
110 . 1 . 1 18 18 D4P H H 1 7.864 0.000 . 1 . . . . . 18 D4P H . 52188 2
111 . 1 . 1 18 18 D4P H2 H 1 6.780 0.000 . 1 . . . . . 18 D4P H2 . 52188 2
112 . 1 . 1 18 18 D4P H3 H 1 6.631 0.000 . 1 . . . . . 18 D4P H3 . 52188 2
113 . 1 . 1 18 18 D4P H5 H 1 6.631 0.000 . 1 . . . . . 18 D4P H5 . 52188 2
114 . 1 . 1 18 18 D4P H6 H 1 6.780 0.000 . 1 . . . . . 18 D4P H6 . 52188 2
115 . 1 . 1 18 18 D4P HA H 1 4.956 0.000 . 1 . . . . . 18 D4P HA . 52188 2
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save_