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 30443
_Assigned_chem_shift_list.ID 1
_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' . . . 30443 1
2 '2D 1H-1H NOESY' . . . 30443 1
3 '2D 1H-13C HSQC' . . . 30443 1
4 '2D 1H-15N HMQC' . . . 30443 1
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.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 SER HA H 1 4.2700 0.0000 . 1 . . . . A 1 SER HA . 30443 1
2 . 1 1 1 1 SER HB2 H 1 4.0600 0.0000 . 1 . . . . A 1 SER HB2 . 30443 1
3 . 1 1 1 1 SER CA C 13 57.3850 0.0000 . 1 . . . . A 1 SER CA . 30443 1
4 . 1 1 1 1 SER CB C 13 63.2250 0.0000 . 1 . . . . A 1 SER CB . 30443 1
5 . 1 1 2 2 ARG H H 1 8.6700 0.0000 . 1 . . . . A 2 ARG H . 30443 1
6 . 1 1 2 2 ARG HA H 1 4.4400 0.0000 . 1 . . . . A 2 ARG HA . 30443 1
7 . 1 1 2 2 ARG HB2 H 1 1.9000 0.0000 . 1 . . . . A 2 ARG HB2 . 30443 1
8 . 1 1 2 2 ARG HG2 H 1 1.7200 0.0000 . 1 . . . . A 2 ARG HG2 . 30443 1
9 . 1 1 2 2 ARG HD2 H 1 3.2000 0.0000 . 1 . . . . A 2 ARG HD2 . 30443 1
10 . 1 1 2 2 ARG HE H 1 7.1500 0.0000 . 1 . . . . A 2 ARG HE . 30443 1
11 . 1 1 2 2 ARG CA C 13 56.8020 0.0000 . 1 . . . . A 2 ARG CA . 30443 1
12 . 1 1 2 2 ARG CG C 13 27.6850 0.0000 . 1 . . . . A 2 ARG CG . 30443 1
13 . 1 1 2 2 ARG N N 15 119.7960 0.0000 . 1 . . . . A 2 ARG N . 30443 1
14 . 1 1 3 3 SER H H 1 8.3200 0.0000 . 1 . . . . A 3 SER H . 30443 1
15 . 1 1 3 3 SER HA H 1 4.3500 0.0000 . 1 . . . . A 3 SER HA . 30443 1
16 . 1 1 3 3 SER HB2 H 1 3.8900 0.0000 . 1 . . . . A 3 SER HB2 . 30443 1
17 . 1 1 3 3 SER CA C 13 59.2980 0.0000 . 1 . . . . A 3 SER CA . 30443 1
18 . 1 1 3 3 SER CB C 13 63.5890 0.0000 . 1 . . . . A 3 SER CB . 30443 1
19 . 1 1 3 3 SER N N 15 116.9210 0.0000 . 1 . . . . A 3 SER N . 30443 1
20 . 1 1 4 4 GLU H H 1 8.0400 0.0000 . 1 . . . . A 4 GLU H . 30443 1
21 . 1 1 4 4 GLU HA H 1 4.3500 0.0000 . 1 . . . . A 4 GLU HA . 30443 1
22 . 1 1 4 4 GLU HB2 H 1 2.0300 0.0000 . 1 . . . . A 4 GLU HB2 . 30443 1
23 . 1 1 4 4 GLU HG2 H 1 2.4300 0.0000 . 1 . . . . A 4 GLU HG2 . 30443 1
24 . 1 1 4 4 GLU CA C 13 56.1720 0.0000 . 1 . . . . A 4 GLU CA . 30443 1
25 . 1 1 4 4 GLU CB C 13 28.6570 0.0000 . 1 . . . . A 4 GLU CB . 30443 1
26 . 1 1 4 4 GLU CG C 13 33.4170 0.0000 . 1 . . . . A 4 GLU CG . 30443 1
27 . 1 1 4 4 GLU N N 15 119.1630 0.0000 . 1 . . . . A 4 GLU N . 30443 1
28 . 1 1 5 5 LEU H H 1 8.0200 0.0000 . 1 . . . . A 5 LEU H . 30443 1
29 . 1 1 5 5 LEU HA H 1 4.2500 0.0000 . 1 . . . . A 5 LEU HA . 30443 1
30 . 1 1 5 5 LEU HB2 H 1 1.6900 0.0000 . 1 . . . . A 5 LEU HB2 . 30443 1
31 . 1 1 5 5 LEU HG H 1 1.6100 0.0000 . 1 . . . . A 5 LEU HG . 30443 1
32 . 1 1 5 5 LEU HD11 H 1 0.9300 0.0000 . 1 . . . . A 5 LEU HD11 . 30443 1
33 . 1 1 5 5 LEU HD12 H 1 0.9300 0.0000 . 1 . . . . A 5 LEU HD12 . 30443 1
34 . 1 1 5 5 LEU HD13 H 1 0.9300 0.0000 . 1 . . . . A 5 LEU HD13 . 30443 1
35 . 1 1 5 5 LEU HD21 H 1 0.8600 0.0000 . 1 . . . . A 5 LEU HD21 . 30443 1
36 . 1 1 5 5 LEU HD22 H 1 0.8600 0.0000 . 1 . . . . A 5 LEU HD22 . 30443 1
37 . 1 1 5 5 LEU HD23 H 1 0.8600 0.0000 . 1 . . . . A 5 LEU HD23 . 30443 1
38 . 1 1 5 5 LEU CA C 13 56.3650 0.0000 . 1 . . . . A 5 LEU CA . 30443 1
39 . 1 1 5 5 LEU CB C 13 37.5730 0.0000 . 1 . . . . A 5 LEU CB . 30443 1
40 . 1 1 5 5 LEU CG C 13 30.8620 0.0000 . 1 . . . . A 5 LEU CG . 30443 1
41 . 1 1 5 5 LEU N N 15 119.7090 0.0000 . 1 . . . . A 5 LEU N . 30443 1
42 . 1 1 6 6 ILE H H 1 7.6900 0.0000 . 1 . . . . A 6 ILE H . 30443 1
43 . 1 1 6 6 ILE HA H 1 4.1300 0.0000 . 1 . . . . A 6 ILE HA . 30443 1
44 . 1 1 6 6 ILE HB H 1 1.9100 0.0000 . 1 . . . . A 6 ILE HB . 30443 1
45 . 1 1 6 6 ILE HG12 H 1 1.1700 0.0000 . 1 . . . . A 6 ILE HG12 . 30443 1
46 . 1 1 6 6 ILE HD11 H 1 0.8500 0.0000 . 1 . . . . A 6 ILE HD11 . 30443 1
47 . 1 1 6 6 ILE HD12 H 1 0.8500 0.0000 . 1 . . . . A 6 ILE HD12 . 30443 1
48 . 1 1 6 6 ILE HD13 H 1 0.8500 0.0000 . 1 . . . . A 6 ILE HD13 . 30443 1
49 . 1 1 6 6 ILE CA C 13 61.3500 0.0000 . 1 . . . . A 6 ILE CA . 30443 1
50 . 1 1 6 6 ILE CB C 13 38.7320 0.0000 . 1 . . . . A 6 ILE CB . 30443 1
51 . 1 1 6 6 ILE N N 15 117.7860 0.0000 . 1 . . . . A 6 ILE N . 30443 1
52 . 1 1 7 7 VAL H H 1 7.7700 0.0000 . 1 . . . . A 7 VAL H . 30443 1
53 . 1 1 7 7 VAL HA H 1 4.0400 0.0000 . 1 . . . . A 7 VAL HA . 30443 1
54 . 1 1 7 7 VAL HB H 1 2.0700 0.0000 . 1 . . . . A 7 VAL HB . 30443 1
55 . 1 1 7 7 VAL HG11 H 1 0.8900 0.0000 . 1 . . . . A 7 VAL HG11 . 30443 1
56 . 1 1 7 7 VAL HG12 H 1 0.8900 0.0000 . 1 . . . . A 7 VAL HG12 . 30443 1
57 . 1 1 7 7 VAL HG13 H 1 0.8900 0.0000 . 1 . . . . A 7 VAL HG13 . 30443 1
58 . 1 1 7 7 VAL HG21 H 1 0.8500 0.0000 . 1 . . . . A 7 VAL HG21 . 30443 1
59 . 1 1 7 7 VAL HG22 H 1 0.8500 0.0000 . 1 . . . . A 7 VAL HG22 . 30443 1
60 . 1 1 7 7 VAL HG23 H 1 0.8500 0.0000 . 1 . . . . A 7 VAL HG23 . 30443 1
61 . 1 1 7 7 VAL CB C 13 32.3288 0.0000 . 1 . . . . A 7 VAL CB . 30443 1
62 . 1 1 7 7 VAL N N 15 119.3750 0.0000 . 1 . . . . A 7 VAL N . 30443 1
63 . 1 1 8 8 HIS H H 1 8.0400 0.0000 . 1 . . . . A 8 HIS H . 30443 1
64 . 1 1 8 8 HIS HA H 1 4.6800 0.0000 . 1 . . . . A 8 HIS HA . 30443 1
65 . 1 1 8 8 HIS HB2 H 1 3.2600 0.0000 . 1 . . . . A 8 HIS HB2 . 30443 1
66 . 1 1 8 8 HIS HD1 H 1 7.3900 0.0000 . 1 . . . . A 8 HIS HD1 . 30443 1
67 . 1 1 8 8 HIS HD2 H 1 7.3900 0.0000 . 1 . . . . A 8 HIS HD2 . 30443 1
68 . 1 1 8 8 HIS HE1 H 1 8.6600 0.0000 . 1 . . . . A 8 HIS HE1 . 30443 1
69 . 1 1 8 8 HIS HE2 H 1 8.6600 0.0000 . 1 . . . . A 8 HIS HE2 . 30443 1
70 . 1 1 8 8 HIS CB C 13 28.9462 0.0000 . 1 . . . . A 8 HIS CB . 30443 1
71 . 1 1 8 8 HIS N N 15 118.9420 0.0000 . 1 . . . . A 8 HIS N . 30443 1
72 . 1 1 9 9 GLN H H 1 8.1900 0.0000 . 1 . . . . A 9 GLN H . 30443 1
73 . 1 1 9 9 GLN HA H 1 4.3600 0.0000 . 1 . . . . A 9 GLN HA . 30443 1
74 . 1 1 9 9 GLN HB2 H 1 1.9900 0.0000 . 1 . . . . A 9 GLN HB2 . 30443 1
75 . 1 1 9 9 GLN HG2 H 1 2.3500 0.0000 . 1 . . . . A 9 GLN HG2 . 30443 1
76 . 1 1 9 9 GLN HE21 H 1 7.4900 0.0000 . 1 . . . . A 9 GLN HE21 . 30443 1
77 . 1 1 9 9 GLN HE22 H 1 6.7800 0.0000 . 1 . . . . A 9 GLN HE22 . 30443 1
78 . 1 1 9 9 GLN CA C 13 56.1740 0.0000 . 1 . . . . A 9 GLN CA . 30443 1
79 . 1 1 9 9 GLN CB C 13 29.7680 0.0000 . 1 . . . . A 9 GLN CB . 30443 1
80 . 1 1 9 9 GLN CG C 13 31.8580 0.0000 . 1 . . . . A 9 GLN CG . 30443 1
81 . 1 1 9 9 GLN N N 15 119.1730 0.0000 . 1 . . . . A 9 GLN N . 30443 1
82 . 1 1 10 10 ARG HA H 1 4.2700 0.0000 . 1 . . . . A 10 ARG HA . 30443 1
83 . 1 1 10 10 ARG HB2 H 1 1.9300 0.0000 . 1 . . . . A 10 ARG HB2 . 30443 1
84 . 1 1 10 10 ARG HG2 H 1 1.6900 0.0000 . 1 . . . . A 10 ARG HG2 . 30443 1
85 . 1 1 10 10 ARG HD2 H 1 3.1900 0.0000 . 1 . . . . A 10 ARG HD2 . 30443 1
86 . 1 1 10 10 ARG HE H 1 7.1100 0.0000 . 1 . . . . A 10 ARG HE . 30443 1
87 . 1 1 10 10 ARG CA C 13 56.3860 0.0000 . 1 . . . . A 10 ARG CA . 30443 1
88 . 1 1 10 10 ARG CB C 13 28.9180 0.0000 . 1 . . . . A 10 ARG CB . 30443 1
89 . 1 1 10 10 ARG CG C 13 30.6910 0.0000 . 1 . . . . A 10 ARG CG . 30443 1
90 . 1 1 10 10 ARG N N 15 121.2430 0.0000 . 1 . . . . A 10 ARG N . 30443 1
91 . 1 1 11 11 NH2 HN1 H 1 8.1400 0.0000 . 1 . . . . A 11 NH2 HN1 . 30443 1
stop_
save_