Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 52188
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'Recorded at 15C'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
7 '1D 1H' . . . 52188 3
8 '2D 1H-1H NOESY' . . . 52188 3
9 '2D 1H-1H TOCSY' . . . 52188 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
4 $software_4 . . 52188 3
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 0.801 0.000 . 1 . . . . . 1 6NA H6C1 . 52188 3
2 . 1 . 1 1 1 6NA HAC1 H 1 2.107 0.000 . 1 . . . . . 1 6NA HAC1 . 52188 3
3 . 1 . 1 1 1 6NA HAC2 H 1 2.107 0.000 . 1 . . . . . 1 6NA HAC2 . 52188 3
4 . 1 . 1 1 1 6NA HBC1 H 1 1.446 0.000 . 1 . . . . . 1 6NA HBC1 . 52188 3
5 . 1 . 1 1 1 6NA HBC2 H 1 1.446 0.000 . 1 . . . . . 1 6NA HBC2 . 52188 3
6 . 1 . 1 1 1 6NA HDC1 H 1 1.184 0.000 . 1 . . . . . 1 6NA HDC1 . 52188 3
7 . 1 . 1 1 1 6NA HDC2 H 1 1.184 0.000 . 1 . . . . . 1 6NA HDC2 . 52188 3
8 . 1 . 1 1 1 6NA HGC1 H 1 1.154 0.000 . 1 . . . . . 1 6NA HGC1 . 52188 3
9 . 1 . 1 1 1 6NA HGC2 H 1 1.154 0.000 . 1 . . . . . 1 6NA HGC2 . 52188 3
10 . 1 . 1 2 2 ASN H H 1 8.155 0.003 . 1 . . . . . 2 ASN H . 52188 3
11 . 1 . 1 2 2 ASN HA H 1 4.494 0.000 . 1 . . . . . 2 ASN HA . 52188 3
12 . 1 . 1 2 2 ASN HB2 H 1 2.410 0.000 . 2 . . . . . 2 ASN HB2 . 52188 3
13 . 1 . 1 2 2 ASN HB3 H 1 2.208 0.000 . 2 . . . . . 2 ASN HB3 . 52188 3
14 . 1 . 1 2 2 ASN HD21 H 1 7.193 0.000 . 2 . . . . . 2 ASN HD21 . 52188 3
15 . 1 . 1 2 2 ASN HD22 H 1 6.604 0.000 . 2 . . . . . 2 ASN HD22 . 52188 3
16 . 1 . 1 3 3 DPP H H 1 8.221 0.000 . 1 . . . . . 3 DPP H . 52188 3
17 . 1 . 1 3 3 DPP HA H 1 4.755 0.005 . 1 . . . . . 3 DPP HA . 52188 3
18 . 1 . 1 3 3 DPP HB2 H 1 3.933 0.000 . 2 . . . . . 3 DPP HB2 . 52188 3
19 . 1 . 1 3 3 DPP HB3 H 1 3.220 0.000 . 2 . . . . . 3 DPP HB3 . 52188 3
20 . 1 . 1 3 3 DPP HG1 H 1 7.589 0.000 . 1 . . . . . 3 DPP HG1 . 52188 3
21 . 1 . 1 4 4 DGH H H 1 9.141 0.000 . 1 . . . . . 4 DGH H . 52188 3
22 . 1 . 1 4 4 DGH HA H 1 7.455 0.004 . 1 . . . . . 4 DGH HA . 52188 3
23 . 1 . 1 4 4 DGH HB H 1 5.828 0.000 . 1 . . . . . 4 DGH HB . 52188 3
24 . 1 . 1 4 4 DGH HD H 1 6.925 0.001 . 1 . . . . . 4 DGH HD . 52188 3
25 . 1 . 1 4 4 DGH HE H 1 9.952 0.002 . 1 . . . . . 4 DGH HE . 52188 3
26 . 1 . 1 4 4 DGH HC H 1 7.455 0.004 . 1 . . . . . 4 DGH HC . 52188 3
27 . 1 . 1 4 4 DGH HF H 1 6.925 0.001 . 1 . . . . . 4 DGH HF . 52188 3
28 . 1 . 1 5 5 ORD H H 1 8.909 0.000 . 1 . . . . . 5 ORD H . 52188 3
29 . 1 . 1 5 5 ORD HA H 1 4.122 0.000 . 1 . . . . . 5 ORD HA . 52188 3
30 . 1 . 1 5 5 ORD HB2 H 1 1.215 0.000 . 2 . . . . . 5 ORD HB2 . 52188 3
31 . 1 . 1 5 5 ORD HB3 H 1 0.423 0.005 . 2 . . . . . 5 ORD HB3 . 52188 3
32 . 1 . 1 5 5 ORD HG2 H 1 1.300 0.008 . 1 . . . . . 5 ORD HG2 . 52188 3
33 . 1 . 1 5 5 ORD HG3 H 1 1.300 0.008 . 1 . . . . . 5 ORD HG3 . 52188 3
34 . 1 . 1 5 5 ORD HD2 H 1 2.525 0.002 . 1 . . . . . 5 ORD HD2 . 52188 3
35 . 1 . 1 5 5 ORD HD3 H 1 2.525 0.002 . 1 . . . . . 5 ORD HD3 . 52188 3
36 . 1 . 1 6 6 DTH H H 1 7.458 0.000 . 1 . . . . . 6 DTH H . 52188 3
37 . 1 . 1 6 6 DTH HA H 1 4.531 0.000 . 1 . . . . . 6 DTH HA . 52188 3
38 . 1 . 1 6 6 DTH HB H 1 4.053 0.000 . 1 . . . . . 6 DTH HB . 52188 3
39 . 1 . 1 6 6 DTH HG21 H 1 0.984 0.000 . 1 . . . . . 6 DTH HG21 . 52188 3
40 . 1 . 1 6 6 DTH HG22 H 1 0.984 0.000 . 1 . . . . . 6 DTH HG21 . 52188 3
41 . 1 . 1 6 6 DTH HG23 H 1 0.984 0.000 . 1 . . . . . 6 DTH HG21 . 52188 3
42 . 1 . 1 7 7 D4P H H 1 9.010 0.001 . 1 . . . . . 7 D4P H . 52188 3
43 . 1 . 1 7 7 D4P H2 H 1 6.784 0.001 . 1 . . . . . 7 D4P H2 . 52188 3
44 . 1 . 1 7 7 D4P H3 H 1 6.474 0.002 . 1 . . . . . 7 D4P H3 . 52188 3
45 . 1 . 1 7 7 D4P H5 H 1 6.474 0.002 . 1 . . . . . 7 D4P H5 . 52188 3
46 . 1 . 1 7 7 D4P H6 H 1 6.784 0.001 . 1 . . . . . 7 D4P H6 . 52188 3
47 . 1 . 1 7 7 D4P HA H 1 6.645 0.000 . 1 . . . . . 7 D4P HA . 52188 3
48 . 1 . 1 8 8 DGH H H 1 8.960 0.000 . 1 . . . . . 8 DGH H . 52188 3
49 . 1 . 1 8 8 DGH HA H 1 6.774 0.000 . 1 . . . . . 8 DGH HA . 52188 3
50 . 1 . 1 8 8 DGH HB H 1 5.423 0.004 . 1 . . . . . 8 DGH HB . 52188 3
51 . 1 . 1 8 8 DGH HD H 1 6.515 0.000 . 1 . . . . . 8 DGH HD . 52188 3
52 . 1 . 1 8 8 DGH HC H 1 6.774 0.000 . 1 . . . . . 8 DGH HC . 52188 3
53 . 1 . 1 8 8 DGH HF H 1 6.515 0.000 . 1 . . . . . 8 DGH HF . 52188 3
54 . 1 . 1 9 9 THR H H 1 8.507 0.000 . 1 . . . . . 9 THR H . 52188 3
55 . 1 . 1 9 9 THR HA H 1 3.543 0.003 . 1 . . . . . 9 THR HA . 52188 3
56 . 1 . 1 9 9 THR HB H 1 3.769 0.000 . 1 . . . . . 9 THR HB . 52188 3
57 . 1 . 1 9 9 THR HG21 H 1 0.882 0.000 . 1 . . . . . 9 THR HG21 . 52188 3
58 . 1 . 1 9 9 THR HG22 H 1 0.882 0.000 . 1 . . . . . 9 THR HG21 . 52188 3
59 . 1 . 1 9 9 THR HG23 H 1 0.882 0.000 . 1 . . . . . 9 THR HG21 . 52188 3
60 . 1 . 1 10 10 PHE H H 1 7.718 0.002 . 1 . . . . . 10 PHE H . 52188 3
61 . 1 . 1 10 10 PHE HA H 1 4.377 0.000 . 1 . . . . . 10 PHE HA . 52188 3
62 . 1 . 1 10 10 PHE HB2 H 1 2.790 0.000 . 2 . . . . . 10 PHE HB2 . 52188 3
63 . 1 . 1 10 10 PHE HB3 H 1 2.263 0.000 . 2 . . . . . 10 PHE HB3 . 52188 3
64 . 1 . 1 10 10 PHE HD1 H 1 7.049 0.001 . 1 . . . . . 10 PHE HD1 . 52188 3
65 . 1 . 1 10 10 PHE HD2 H 1 7.049 0.001 . 1 . . . . . 10 PHE HD2 . 52188 3
66 . 1 . 1 10 10 PHE HE1 H 1 7.249 0.003 . 1 . . . . . 10 PHE HE1 . 52188 3
67 . 1 . 1 10 10 PHE HE2 H 1 7.249 0.003 . 1 . . . . . 10 PHE HE2 . 52188 3
68 . 1 . 1 10 10 PHE HZ H 1 7.212 0.001 . 1 . . . . . 10 PHE HZ . 52188 3
69 . 1 . 1 11 11 ORD H H 1 7.676 0.000 . 1 . . . . . 11 ORD H . 52188 3
70 . 1 . 1 11 11 ORD HA H 1 4.784 0.000 . 1 . . . . . 11 ORD HA . 52188 3
71 . 1 . 1 11 11 ORD HB2 H 1 1.977 0.000 . 1 . . . . . 11 ORD HB2 . 52188 3
72 . 1 . 1 11 11 ORD HB3 H 1 1.917 0.000 . 1 . . . . . 11 ORD HB3 . 52188 3
73 . 1 . 1 11 11 ORD HG2 H 1 1.620 0.001 . 1 . . . . . 11 ORD HG2 . 52188 3
74 . 1 . 1 11 11 ORD HG3 H 1 1.620 0.001 . 1 . . . . . 11 ORD HG3 . 52188 3
75 . 1 . 1 11 11 ORD HD2 H 1 2.947 0.001 . 1 . . . . . 11 ORD HD2 . 52188 3
76 . 1 . 1 11 11 ORD HD3 H 1 2.947 0.001 . 1 . . . . . 11 ORD HD3 . 52188 3
77 . 1 . 1 12 12 D4P H H 1 9.119 0.000 . 1 . . . . . 12 D4P H . 52188 3
78 . 1 . 1 12 12 D4P H2 H 1 7.208 0.003 . 1 . . . . . 12 D4P H2 . 52188 3
79 . 1 . 1 12 12 D4P H3 H 1 6.621 0.001 . 1 . . . . . 12 D4P H3 . 52188 3
80 . 1 . 1 12 12 D4P H5 H 1 6.621 0.001 . 1 . . . . . 12 D4P H5 . 52188 3
81 . 1 . 1 12 12 D4P H6 H 1 7.208 0.003 . 1 . . . . . 12 D4P H6 . 52188 3
82 . 1 . 1 12 12 D4P HA H 1 6.818 0.000 . 1 . . . . . 12 D4P HA . 52188 3
83 . 1 . 1 13 13 DTH H H 1 9.101 0.001 . 1 . . . . . 13 DTH H . 52188 3
84 . 1 . 1 13 13 DTH HA H 1 4.893 0.000 . 1 . . . . . 13 DTH HA . 52188 3
85 . 1 . 1 13 13 DTH HB H 1 4.230 0.002 . 1 . . . . . 13 DTH HB . 52188 3
86 . 1 . 1 13 13 DTH HG21 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 3
87 . 1 . 1 13 13 DTH HG22 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 3
88 . 1 . 1 13 13 DTH HG23 H 1 0.904 0.001 . 1 . . . . . 13 DTH HG21 . 52188 3
89 . 1 . 1 14 14 D4P H H 1 9.039 0.000 . 1 . . . . . 14 D4P H . 52188 3
90 . 1 . 1 14 14 D4P H2 H 1 7.163 0.002 . 1 . . . . . 14 D4P H2 . 52188 3
91 . 1 . 1 14 14 D4P H3 H 1 6.775 0.002 . 1 . . . . . 14 D4P H3 . 52188 3
92 . 1 . 1 14 14 D4P H5 H 1 6.775 0.002 . 1 . . . . . 14 D4P H5 . 52188 3
93 . 1 . 1 14 14 D4P H6 H 1 7.163 0.002 . 1 . . . . . 14 D4P H6 . 52188 3
94 . 1 . 1 14 14 D4P HA H 1 5.969 0.001 . 1 . . . . . 14 D4P HA . 52188 3
95 . 1 . 1 15 15 GLY H H 1 8.145 0.001 . 1 . . . . . 15 GLY H . 52188 3
96 . 1 . 1 15 15 GLY HA2 H 1 3.890 0.003 . 2 . . . . . 15 GLY HA2 . 52188 3
97 . 1 . 1 15 15 GLY HA3 H 1 3.753 0.004 . 2 . . . . . 15 GLY HA3 . 52188 3
98 . 1 . 1 16 16 LEU H H 1 8.517 0.000 . 1 . . . . . 16 LEU H . 52188 3
99 . 1 . 1 16 16 LEU HA H 1 4.253 0.000 . 1 . . . . . 16 LEU HA . 52188 3
100 . 1 . 1 16 16 LEU HB2 H 1 1.569 0.000 . 1 . . . . . 16 LEU HB2 . 52188 3
101 . 1 . 1 16 16 LEU HB3 H 1 1.569 0.000 . 1 . . . . . 16 LEU HB3 . 52188 3
102 . 1 . 1 16 16 LEU HG H 1 1.527 0.000 . 1 . . . . . 16 LEU HG . 52188 3
103 . 1 . 1 16 16 LEU HD11 H 1 0.872 0.000 . 2 . . . . . 16 LEU HD11 . 52188 3
104 . 1 . 1 16 16 LEU HD12 H 1 0.872 0.000 . 2 . . . . . 16 LEU HD11 . 52188 3
105 . 1 . 1 16 16 LEU HD13 H 1 0.872 0.000 . 2 . . . . . 16 LEU HD11 . 52188 3
106 . 1 . 1 16 16 LEU HD21 H 1 0.803 0.008 . 2 . . . . . 16 LEU HD21 . 52188 3
107 . 1 . 1 16 16 LEU HD22 H 1 0.803 0.008 . 2 . . . . . 16 LEU HD21 . 52188 3
108 . 1 . 1 16 16 LEU HD23 H 1 0.803 0.008 . 2 . . . . . 16 LEU HD21 . 52188 3
109 . 1 . 1 17 17 DAL H H 1 8.967 0.001 . 1 . . . . . 17 DAL H . 52188 3
110 . 1 . 1 17 17 DAL HA H 1 4.363 0.000 . 1 . . . . . 17 DAL HA . 52188 3
111 . 1 . 1 17 17 DAL HB1 H 1 1.304 0.000 . 1 . . . . . 17 DAL HB1 . 52188 3
112 . 1 . 1 17 17 DAL HB2 H 1 1.304 0.000 . 1 . . . . . 17 DAL HB1 . 52188 3
113 . 1 . 1 17 17 DAL HB3 H 1 1.304 0.000 . 1 . . . . . 17 DAL HB1 . 52188 3
114 . 1 . 1 18 18 D4P H H 1 7.899 0.000 . 1 . . . . . 18 D4P H . 52188 3
115 . 1 . 1 18 18 D4P H2 H 1 6.767 0.000 . 1 . . . . . 18 D4P H2 . 52188 3
116 . 1 . 1 18 18 D4P H3 H 1 6.608 0.000 . 1 . . . . . 18 D4P H3 . 52188 3
117 . 1 . 1 18 18 D4P H5 H 1 6.608 0.000 . 1 . . . . . 18 D4P H5 . 52188 3
118 . 1 . 1 18 18 D4P H6 H 1 6.767 0.000 . 1 . . . . . 18 D4P H6 . 52188 3
119 . 1 . 1 18 18 D4P HA H 1 4.943 0.002 . 1 . . . . . 18 D4P HA . 52188 3
stop_
save_