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 50463
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'L-Phenylseptin Chemichal Shift Assigned'
_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 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
1 '2D 1H-1H TOCSY' . . . 50463 1
2 '2D 1H-1H NOESY' . . . 50463 1
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 . . 50463 1
3 $software_3 . . 50463 1
4 $software_4 . . 50463 1
5 $software_5 . . 50463 1
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 PHE HA H 1 4.247 0.000 . 1 . . . . . 1 PHE HA . 50463 1
2 . 1 . 1 1 1 PHE HB2 H 1 3.119 0.000 . 2 . . . . . 1 PHE HB2 . 50463 1
3 . 1 . 1 1 1 PHE HB3 H 1 2.955 0.000 . 2 . . . . . 1 PHE HB3 . 50463 1
4 . 1 . 1 1 1 PHE HD1 H 1 7.405 0.005 . 1 . . . . . 1 PHE HD1 . 50463 1
5 . 1 . 1 1 1 PHE HD2 H 1 7.405 0.005 . 1 . . . . . 1 PHE HD2 . 50463 1
6 . 1 . 1 1 1 PHE HE1 H 1 7.296 0.002 . 1 . . . . . 1 PHE HE1 . 50463 1
7 . 1 . 1 1 1 PHE HE2 H 1 7.296 0.002 . 1 . . . . . 1 PHE HE2 . 50463 1
8 . 1 . 1 2 2 PHE H H 1 7.868 0.004 . 1 . . . . . 2 PHE H . 50463 1
9 . 1 . 1 2 2 PHE HA H 1 4.525 0.003 . 1 . . . . . 2 PHE HA . 50463 1
10 . 1 . 1 2 2 PHE HB2 H 1 2.854 0.003 . 1 . . . . . 2 PHE HB2 . 50463 1
11 . 1 . 1 2 2 PHE HD1 H 1 7.331 0.003 . 1 . . . . . 2 PHE HD1 . 50463 1
12 . 1 . 1 2 2 PHE HD2 H 1 7.331 0.003 . 1 . . . . . 2 PHE HD2 . 50463 1
13 . 1 . 1 2 2 PHE HE1 H 1 7.149 0.000 . 1 . . . . . 2 PHE HE1 . 50463 1
14 . 1 . 1 2 2 PHE HE2 H 1 7.149 0.000 . 1 . . . . . 2 PHE HE2 . 50463 1
15 . 1 . 1 3 3 PHE H H 1 8.505 0.004 . 1 . . . . . 3 PHE H . 50463 1
16 . 1 . 1 3 3 PHE HA H 1 4.495 0.004 . 1 . . . . . 3 PHE HA . 50463 1
17 . 1 . 1 3 3 PHE HB2 H 1 3.061 0.001 . 2 . . . . . 3 PHE HB2 . 50463 1
18 . 1 . 1 3 3 PHE HB3 H 1 2.991 0.003 . 2 . . . . . 3 PHE HB3 . 50463 1
19 . 1 . 1 3 3 PHE HD1 H 1 7.303 0.006 . 1 . . . . . 3 PHE HD1 . 50463 1
20 . 1 . 1 3 3 PHE HD2 H 1 7.303 0.006 . 1 . . . . . 3 PHE HD2 . 50463 1
21 . 1 . 1 3 3 PHE HE1 H 1 7.064 0.004 . 1 . . . . . 3 PHE HE1 . 50463 1
22 . 1 . 1 3 3 PHE HE2 H 1 7.064 0.004 . 1 . . . . . 3 PHE HE2 . 50463 1
23 . 1 . 1 4 4 ASP H H 1 7.276 0.005 . 1 . . . . . 4 ASP H . 50463 1
24 . 1 . 1 4 4 ASP HA H 1 4.298 0.001 . 1 . . . . . 4 ASP HA . 50463 1
25 . 1 . 1 4 4 ASP HB2 H 1 3.023 0.009 . 2 . . . . . 4 ASP HB2 . 50463 1
26 . 1 . 1 4 4 ASP HB3 H 1 3.011 0.009 . 2 . . . . . 4 ASP HB3 . 50463 1
27 . 1 . 1 5 5 THR H H 1 7.777 0.008 . 1 . . . . . 5 THR H . 50463 1
28 . 1 . 1 5 5 THR HA H 1 4.225 0.003 . 1 . . . . . 5 THR HA . 50463 1
29 . 1 . 1 5 5 THR HB H 1 4.047 0.003 . 1 . . . . . 5 THR HB . 50463 1
30 . 1 . 1 5 5 THR HG21 H 1 1.260 0.001 . 1 . . . . . 5 THR HG21 . 50463 1
31 . 1 . 1 5 5 THR HG22 H 1 1.260 0.001 . 1 . . . . . 5 THR HG22 . 50463 1
32 . 1 . 1 5 5 THR HG23 H 1 1.260 0.001 . 1 . . . . . 5 THR HG23 . 50463 1
33 . 1 . 1 6 6 LEU H H 1 7.806 0.001 . 1 . . . . . 6 LEU H . 50463 1
34 . 1 . 1 6 6 LEU HA H 1 4.105 0.007 . 1 . . . . . 6 LEU HA . 50463 1
35 . 1 . 1 6 6 LEU HB2 H 1 1.640 0.004 . 1 . . . . . 6 LEU HB2 . 50463 1
36 . 1 . 1 6 6 LEU HD11 H 1 0.886 0.014 . 2 . . . . . 6 LEU HD11 . 50463 1
37 . 1 . 1 6 6 LEU HD12 H 1 0.886 0.014 . 2 . . . . . 6 LEU HD12 . 50463 1
38 . 1 . 1 6 6 LEU HD13 H 1 0.886 0.014 . 2 . . . . . 6 LEU HD13 . 50463 1
39 . 1 . 1 6 6 LEU HD21 H 1 0.922 0.021 . 2 . . . . . 6 LEU HD21 . 50463 1
40 . 1 . 1 6 6 LEU HD22 H 1 0.922 0.021 . 2 . . . . . 6 LEU HD22 . 50463 1
41 . 1 . 1 6 6 LEU HD23 H 1 0.922 0.021 . 2 . . . . . 6 LEU HD23 . 50463 1
42 . 1 . 1 7 7 LYS H H 1 7.867 0.005 . 1 . . . . . 7 LYS H . 50463 1
43 . 1 . 1 7 7 LYS HA H 1 3.975 0.003 . 1 . . . . . 7 LYS HA . 50463 1
44 . 1 . 1 7 7 LYS HB2 H 1 1.843 0.003 . 1 . . . . . 7 LYS HB2 . 50463 1
45 . 1 . 1 7 7 LYS HG2 H 1 1.428 0.006 . 1 . . . . . 7 LYS HG2 . 50463 1
46 . 1 . 1 7 7 LYS HD2 H 1 1.531 0.005 . 1 . . . . . 7 LYS HD2 . 50463 1
47 . 1 . 1 8 8 ASN H H 1 7.885 0.003 . 1 . . . . . 8 ASN H . 50463 1
48 . 1 . 1 8 8 ASN HA H 1 4.534 0.006 . 1 . . . . . 8 ASN HA . 50463 1
49 . 1 . 1 8 8 ASN HB2 H 1 2.938 0.003 . 2 . . . . . 8 ASN HB2 . 50463 1
50 . 1 . 1 8 8 ASN HB3 H 1 2.829 0.005 . 2 . . . . . 8 ASN HB3 . 50463 1
51 . 1 . 1 8 8 ASN HD21 H 1 7.413 0.003 . 1 . . . . . 8 ASN HD21 . 50463 1
52 . 1 . 1 8 8 ASN HD22 H 1 6.774 0.002 . 1 . . . . . 8 ASN HD22 . 50463 1
53 . 1 . 1 9 9 LEU H H 1 8.133 0.004 . 1 . . . . . 9 LEU H . 50463 1
54 . 1 . 1 9 9 LEU HA H 1 4.167 0.003 . 1 . . . . . 9 LEU HA . 50463 1
55 . 1 . 1 9 9 LEU HB2 H 1 1.787 0.007 . 2 . . . . . 9 LEU HB2 . 50463 1
56 . 1 . 1 9 9 LEU HB3 H 1 1.753 0.012 . 2 . . . . . 9 LEU HB3 . 50463 1
57 . 1 . 1 9 9 LEU HG H 1 1.721 0.005 . 1 . . . . . 9 LEU HG . 50463 1
58 . 1 . 1 9 9 LEU HD11 H 1 0.900 0.005 . 1 . . . . . 9 LEU HD11 . 50463 1
59 . 1 . 1 9 9 LEU HD12 H 1 0.900 0.005 . 1 . . . . . 9 LEU HD12 . 50463 1
60 . 1 . 1 9 9 LEU HD13 H 1 0.900 0.005 . 1 . . . . . 9 LEU HD13 . 50463 1
61 . 1 . 1 10 10 ALA H H 1 8.517 0.003 . 1 . . . . . 10 ALA H . 50463 1
62 . 1 . 1 10 10 ALA HA H 1 4.034 0.002 . 1 . . . . . 10 ALA HA . 50463 1
63 . 1 . 1 10 10 ALA HB1 H 1 1.465 0.002 . 1 . . . . . 10 ALA HB1 . 50463 1
64 . 1 . 1 10 10 ALA HB2 H 1 1.465 0.002 . 1 . . . . . 10 ALA HB2 . 50463 1
65 . 1 . 1 10 10 ALA HB3 H 1 1.465 0.002 . 1 . . . . . 10 ALA HB3 . 50463 1
66 . 1 . 1 11 11 GLY H H 1 8.020 0.002 . 1 . . . . . 11 GLY H . 50463 1
67 . 1 . 1 11 11 GLY HA2 H 1 3.815 0.003 . 2 . . . . . 11 GLY HA2 . 50463 1
68 . 1 . 1 11 11 GLY HA3 H 1 3.930 0.006 . 2 . . . . . 11 GLY HA3 . 50463 1
69 . 1 . 1 12 12 LYS H H 1 7.810 0.003 . 1 . . . . . 12 LYS H . 50463 1
70 . 1 . 1 12 12 LYS HA H 1 4.189 0.004 . 1 . . . . . 12 LYS HA . 50463 1
71 . 1 . 1 12 12 LYS HB2 H 1 2.140 0.003 . 2 . . . . . 12 LYS HB2 . 50463 1
72 . 1 . 1 12 12 LYS HB3 H 1 1.999 0.001 . 2 . . . . . 12 LYS HB3 . 50463 1
73 . 1 . 1 12 12 LYS HG2 H 1 1.531 0.003 . 1 . . . . . 12 LYS HG2 . 50463 1
74 . 1 . 1 12 12 LYS HD2 H 1 1.708 0.005 . 2 . . . . . 12 LYS HD2 . 50463 1
75 . 1 . 1 12 12 LYS HD3 H 1 1.628 0.004 . 2 . . . . . 12 LYS HD3 . 50463 1
76 . 1 . 1 13 13 VAL H H 1 8.155 0.004 . 1 . . . . . 13 VAL H . 50463 1
77 . 1 . 1 13 13 VAL HA H 1 3.685 0.003 . 1 . . . . . 13 VAL HA . 50463 1
78 . 1 . 1 13 13 VAL HB H 1 2.217 0.004 . 1 . . . . . 13 VAL HB . 50463 1
79 . 1 . 1 13 13 VAL HG11 H 1 1.038 0.002 . 2 . . . . . 13 VAL HG11 . 50463 1
80 . 1 . 1 13 13 VAL HG12 H 1 1.038 0.002 . 2 . . . . . 13 VAL HG12 . 50463 1
81 . 1 . 1 13 13 VAL HG13 H 1 1.038 0.002 . 2 . . . . . 13 VAL HG13 . 50463 1
82 . 1 . 1 13 13 VAL HG21 H 1 0.949 0.004 . 2 . . . . . 13 VAL HG21 . 50463 1
83 . 1 . 1 13 13 VAL HG22 H 1 0.949 0.004 . 2 . . . . . 13 VAL HG22 . 50463 1
84 . 1 . 1 13 13 VAL HG23 H 1 0.949 0.004 . 2 . . . . . 13 VAL HG23 . 50463 1
85 . 1 . 1 14 14 ILE H H 1 8.656 0.003 . 1 . . . . . 14 ILE H . 50463 1
86 . 1 . 1 14 14 ILE HA H 1 3.760 0.003 . 1 . . . . . 14 ILE HA . 50463 1
87 . 1 . 1 14 14 ILE HB H 1 1.907 0.003 . 1 . . . . . 14 ILE HB . 50463 1
88 . 1 . 1 14 14 ILE HG12 H 1 1.209 0.003 . 2 . . . . . 14 ILE HG12 . 50463 1
89 . 1 . 1 14 14 ILE HG13 H 1 1.742 0.002 . 2 . . . . . 14 ILE HG13 . 50463 1
90 . 1 . 1 14 14 ILE HG21 H 1 0.919 0.004 . 1 . . . . . 14 ILE HG21 . 50463 1
91 . 1 . 1 14 14 ILE HG22 H 1 0.919 0.004 . 1 . . . . . 14 ILE HG22 . 50463 1
92 . 1 . 1 14 14 ILE HG23 H 1 0.919 0.004 . 1 . . . . . 14 ILE HG23 . 50463 1
93 . 1 . 1 14 14 ILE HD11 H 1 0.830 0.007 . 1 . . . . . 14 ILE HD11 . 50463 1
94 . 1 . 1 14 14 ILE HD12 H 1 0.830 0.007 . 1 . . . . . 14 ILE HD12 . 50463 1
95 . 1 . 1 14 14 ILE HD13 H 1 0.830 0.007 . 1 . . . . . 14 ILE HD13 . 50463 1
96 . 1 . 1 15 15 GLY H H 1 8.197 0.009 . 1 . . . . . 15 GLY H . 50463 1
97 . 1 . 1 15 15 GLY HA2 H 1 3.784 0.003 . 2 . . . . . 15 GLY HA2 . 50463 1
98 . 1 . 1 15 15 GLY HA3 H 1 3.886 0.004 . 2 . . . . . 15 GLY HA3 . 50463 1
99 . 1 . 1 16 16 ALA H H 1 7.937 0.004 . 1 . . . . . 16 ALA H . 50463 1
100 . 1 . 1 16 16 ALA HA H 1 4.242 0.001 . 1 . . . . . 16 ALA HA . 50463 1
101 . 1 . 1 16 16 ALA HB1 H 1 1.574 0.003 . 1 . . . . . 16 ALA HB1 . 50463 1
102 . 1 . 1 16 16 ALA HB2 H 1 1.574 0.003 . 1 . . . . . 16 ALA HB2 . 50463 1
103 . 1 . 1 16 16 ALA HB3 H 1 1.574 0.003 . 1 . . . . . 16 ALA HB3 . 50463 1
104 . 1 . 1 17 17 LEU H H 1 8.298 0.004 . 1 . . . . . 17 LEU H . 50463 1
105 . 1 . 1 17 17 LEU HA H 1 4.241 0.002 . 1 . . . . . 17 LEU HA . 50463 1
106 . 1 . 1 17 17 LEU HB2 H 1 1.918 0.008 . 1 . . . . . 17 LEU HB2 . 50463 1
107 . 1 . 1 17 17 LEU HG H 1 1.579 0.003 . 1 . . . . . 17 LEU HG . 50463 1
108 . 1 . 1 17 17 LEU HD11 H 1 0.871 0.004 . 1 . . . . . 17 LEU HD11 . 50463 1
109 . 1 . 1 17 17 LEU HD12 H 1 0.871 0.004 . 1 . . . . . 17 LEU HD12 . 50463 1
110 . 1 . 1 17 17 LEU HD13 H 1 0.871 0.004 . 1 . . . . . 17 LEU HD13 . 50463 1
111 . 1 . 1 18 18 THR H H 1 7.841 0.002 . 1 . . . . . 18 THR H . 50463 1
112 . 1 . 1 18 18 THR HA H 1 4.352 0.021 . 1 . . . . . 18 THR HA . 50463 1
113 . 1 . 1 18 18 THR HB H 1 4.337 0.018 . 1 . . . . . 18 THR HB . 50463 1
114 . 1 . 1 18 18 THR HG21 H 1 1.288 0.003 . 1 . . . . . 18 THR HG21 . 50463 1
115 . 1 . 1 18 18 THR HG22 H 1 1.288 0.003 . 1 . . . . . 18 THR HG22 . 50463 1
116 . 1 . 1 18 18 THR HG23 H 1 1.288 0.003 . 1 . . . . . 18 THR HG23 . 50463 1
117 . 1 . 1 19 19 NH2 HN1 H 1 7.124 0.001 . 1 . . . . . 19 NH2 HN1 . 50463 1
stop_
save_