Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 19677
_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 $chemical_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-15N HSQC' . . . 19677 1
2 '2D 1H-13C HSQC' . . . 19677 1
3 '2D 1H-1H TOCSY' . . . 19677 1
4 '2D 1H-1H NOESY' . . . 19677 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.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 HIS HA H 1 5.0310 0.03 . 1 . . . A 1 HIS HA . 19677 1
2 . 1 1 1 1 HIS HB2 H 1 2.6850 0.03 . 2 . . . A 1 HIS HB2 . 19677 1
3 . 1 1 1 1 HIS HB3 H 1 2.8370 0.03 . 2 . . . A 1 HIS HB3 . 19677 1
4 . 1 1 1 1 HIS H H 1 8.7700 0.03 . 1 . . . A 1 HIS H1 . 19677 1
5 . 1 1 1 1 HIS CA C 13 51.6140 0.10 . 1 . . . A 1 HIS CA . 19677 1
6 . 1 1 1 1 HIS N N 15 120.9210 0.10 . 1 . . . A 1 HIS N . 19677 1
7 . 1 1 2 2 GLU H H 1 8.8300 0.03 . 1 . . . A 2 GLU H . 19677 1
8 . 1 1 2 2 GLU HA H 1 4.4420 0.03 . 1 . . . A 2 GLU HA . 19677 1
9 . 1 1 2 2 GLU HB2 H 1 1.9430 0.03 . 2 . . . A 2 GLU HB2 . 19677 1
10 . 1 1 2 2 GLU HB3 H 1 2.0230 0.03 . 2 . . . A 2 GLU HB3 . 19677 1
11 . 1 1 2 2 GLU HG2 H 1 2.4040 0.03 . 2 . . . A 2 GLU HG2 . 19677 1
12 . 1 1 2 2 GLU CA C 13 55.7280 0.10 . 1 . . . A 2 GLU CA . 19677 1
13 . 1 1 2 2 GLU CB C 13 29.2700 0.10 . 1 . . . A 2 GLU CB . 19677 1
14 . 1 1 2 2 GLU CG C 13 32.8950 0.10 . 1 . . . A 2 GLU CG . 19677 1
15 . 1 1 2 2 GLU N N 15 124.3840 0.10 . 1 . . . A 2 GLU N . 19677 1
16 . 1 1 3 3 VAL H H 1 8.4810 0.03 . 1 . . . A 3 VAL H . 19677 1
17 . 1 1 3 3 VAL HA H 1 4.4380 0.03 . 1 . . . A 3 VAL HA . 19677 1
18 . 1 1 3 3 VAL HB H 1 2.0890 0.03 . 1 . . . A 3 VAL HB . 19677 1
19 . 1 1 3 3 VAL HG11 H 1 0.9300 0.03 . 2 . . . A 3 VAL HG11 . 19677 1
20 . 1 1 3 3 VAL HG12 H 1 0.9300 0.03 . 2 . . . A 3 VAL HG12 . 19677 1
21 . 1 1 3 3 VAL HG13 H 1 0.9300 0.03 . 2 . . . A 3 VAL HG13 . 19677 1
22 . 1 1 3 3 VAL HG21 H 1 0.9780 0.03 . 2 . . . A 3 VAL HG21 . 19677 1
23 . 1 1 3 3 VAL HG22 H 1 0.9780 0.03 . 2 . . . A 3 VAL HG22 . 19677 1
24 . 1 1 3 3 VAL HG23 H 1 0.9780 0.03 . 2 . . . A 3 VAL HG23 . 19677 1
25 . 1 1 3 3 VAL CA C 13 59.9780 0.10 . 1 . . . A 3 VAL CA . 19677 1
26 . 1 1 3 3 VAL CB C 13 32.6620 0.10 . 1 . . . A 3 VAL CB . 19677 1
27 . 1 1 3 3 VAL CG1 C 13 20.1530 0.10 . 2 . . . A 3 VAL CG1 . 19677 1
28 . 1 1 3 3 VAL CG2 C 13 21.0020 0.10 . 2 . . . A 3 VAL CG2 . 19677 1
29 . 1 1 3 3 VAL N N 15 123.9120 0.10 . 1 . . . A 3 VAL N . 19677 1
30 . 1 1 4 4 PRO HA H 1 4.4030 0.03 . 1 . . . A 4 PRO HA . 19677 1
31 . 1 1 4 4 PRO HB2 H 1 1.9770 0.03 . 2 . . . A 4 PRO HB2 . 19677 1
32 . 1 1 4 4 PRO HB3 H 1 1.8890 0.03 . 2 . . . A 4 PRO HB3 . 19677 1
33 . 1 1 4 4 PRO HG2 H 1 2.2280 0.03 . 2 . . . A 4 PRO HG2 . 19677 1
34 . 1 1 4 4 PRO HD2 H 1 3.5910 0.03 . 2 . . . A 4 PRO HD2 . 19677 1
35 . 1 1 4 4 PRO CA C 13 63.0690 0.10 . 1 . . . A 4 PRO CA . 19677 1
36 . 1 1 4 4 PRO CD C 13 49.7020 0.10 . 1 . . . A 4 PRO CD . 19677 1
37 . 1 1 5 5 SER H H 1 8.4120 0.03 . 1 . . . A 5 SER H . 19677 1
38 . 1 1 5 5 SER HA H 1 4.4550 0.03 . 1 . . . A 5 SER HA . 19677 1
39 . 1 1 5 5 SER HB2 H 1 3.8720 0.03 . 2 . . . A 5 SER HB2 . 19677 1
40 . 1 1 5 5 SER CA C 13 58.3700 0.10 . 1 . . . A 5 SER CA . 19677 1
41 . 1 1 5 5 SER CB C 13 63.9750 0.10 . 1 . . . A 5 SER CB . 19677 1
42 . 1 1 5 5 SER N N 15 116.5000 0.10 . 1 . . . A 5 SER N . 19677 1
43 . 1 1 6 6 GLY H H 1 8.2190 0.03 . 1 . . . A 6 GLY H . 19677 1
44 . 1 1 6 6 GLY HA2 H 1 4.1270 0.03 . 2 . . . A 6 GLY HA2 . 19677 1
45 . 1 1 6 6 GLY HA3 H 1 4.0770 0.03 . 2 . . . A 6 GLY HA3 . 19677 1
46 . 1 1 6 6 GLY CA C 13 44.6050 0.10 . 1 . . . A 6 GLY CA . 19677 1
47 . 1 1 6 6 GLY N N 15 110.7320 0.10 . 1 . . . A 6 GLY N . 19677 1
48 . 1 1 7 7 PRO HA H 1 4.4440 0.03 . 1 . . . A 7 PRO HA . 19677 1
49 . 1 1 7 7 PRO HB2 H 1 1.9530 0.03 . 2 . . . A 7 PRO HB2 . 19677 1
50 . 1 1 7 7 PRO HB3 H 1 2.0500 0.03 . 2 . . . A 7 PRO HB3 . 19677 1
51 . 1 1 7 7 PRO HG2 H 1 2.2950 0.03 . 2 . . . A 7 PRO HG2 . 19677 1
52 . 1 1 7 7 PRO HG3 H 1 2.4030 0.03 . 2 . . . A 7 PRO HG3 . 19677 1
53 . 1 1 7 7 PRO HD2 H 1 3.8600 0.03 . 2 . . . A 7 PRO HD2 . 19677 1
54 . 1 1 7 7 PRO CA C 13 63.4590 0.10 . 1 . . . A 7 PRO CA . 19677 1
55 . 1 1 7 7 PRO CD C 13 51.0960 0.10 . 1 . . . A 7 PRO CD . 19677 1
56 . 1 1 8 8 ASN H H 1 8.5470 0.03 . 1 . . . A 8 ASN H . 19677 1
57 . 1 1 8 8 ASN HA H 1 4.9410 0.03 . 1 . . . A 8 ASN HA . 19677 1
58 . 1 1 8 8 ASN HB2 H 1 2.6760 0.03 . 2 . . . A 8 ASN HB2 . 19677 1
59 . 1 1 8 8 ASN HB3 H 1 2.8280 0.03 . 2 . . . A 8 ASN HB3 . 19677 1
60 . 1 1 8 8 ASN HD21 H 1 6.8510 0.03 . 2 . . . A 8 ASN HD21 . 19677 1
61 . 1 1 8 8 ASN HD22 H 1 7.5360 0.03 . 2 . . . A 8 ASN HD22 . 19677 1
62 . 1 1 8 8 ASN CA C 13 51.4310 0.10 . 1 . . . A 8 ASN CA . 19677 1
63 . 1 1 8 8 ASN CB C 13 38.7730 0.10 . 1 . . . A 8 ASN CB . 19677 1
64 . 1 1 8 8 ASN N N 15 119.9960 0.10 . 1 . . . A 8 ASN N . 19677 1
65 . 1 1 8 8 ASN ND2 N 15 112.6840 0.10 . 1 . . . A 8 ASN ND2 . 19677 1
66 . 1 1 9 9 PRO HA H 1 4.4330 0.03 . 1 . . . A 9 PRO HA . 19677 1
67 . 1 1 9 9 PRO HB2 H 1 2.3000 0.03 . 2 . . . A 9 PRO HB2 . 19677 1
68 . 1 1 9 9 PRO HG2 H 1 2.2810 0.03 . 2 . . . A 9 PRO HG2 . 19677 1
69 . 1 1 9 9 PRO HD2 H 1 3.7910 0.03 . 2 . . . A 9 PRO HD2 . 19677 1
70 . 1 1 9 9 PRO CB C 13 32.2000 0.10 . 1 . . . A 9 PRO CB . 19677 1
71 . 1 1 9 9 PRO CD C 13 50.7340 0.10 . 1 . . . A 9 PRO CD . 19677 1
72 . 1 1 10 10 SER H H 1 8.2290 0.03 . 1 . . . A 10 SER H . 19677 1
73 . 1 1 10 10 SER HA H 1 4.4690 0.03 . 1 . . . A 10 SER HA . 19677 1
74 . 1 1 10 10 SER HB2 H 1 3.8650 0.03 . 2 . . . A 10 SER HB2 . 19677 1
75 . 1 1 10 10 SER N N 15 117.4820 0.10 . 1 . . . A 10 SER N . 19677 1
76 . 1 1 11 11 SER H H 1 8.3690 0.03 . 1 . . . A 11 SER H . 19677 1
77 . 1 1 11 11 SER HA H 1 4.4590 0.03 . 1 . . . A 11 SER HA . 19677 1
78 . 1 1 11 11 SER HB2 H 1 3.8700 0.03 . 2 . . . A 11 SER HB2 . 19677 1
79 . 1 1 11 11 SER CA C 13 58.3700 0.10 . 1 . . . A 11 SER CA . 19677 1
80 . 1 1 11 11 SER CB C 13 63.9750 0.10 . 1 . . . A 11 SER CB . 19677 1
81 . 1 1 11 11 SER N N 15 115.5860 0.10 . 1 . . . A 11 SER N . 19677 1
82 . 1 1 12 12 ASN H H 1 8.2240 0.03 . 1 . . . A 12 ASN H . 19677 1
83 . 1 1 12 12 ASN HA H 1 4.6370 0.03 . 1 . . . A 12 ASN HA . 19677 1
84 . 1 1 12 12 ASN HB2 H 1 2.8210 0.03 . 2 . . . A 12 ASN HB2 . 19677 1
85 . 1 1 12 12 ASN HB3 H 1 2.7500 0.03 . 2 . . . A 12 ASN HB3 . 19677 1
86 . 1 1 12 12 ASN HD21 H 1 6.9400 0.03 . 2 . . . A 12 ASN HD21 . 19677 1
87 . 1 1 12 12 ASN HD22 H 1 7.6200 0.03 . 2 . . . A 12 ASN HD22 . 19677 1
88 . 1 1 12 12 ASN CA C 13 53.2220 0.10 . 1 . . . A 12 ASN CA . 19677 1
89 . 1 1 12 12 ASN CB C 13 39.5620 0.10 . 1 . . . A 12 ASN CB . 19677 1
90 . 1 1 12 12 ASN N N 15 122.7780 0.10 . 1 . . . A 12 ASN N . 19677 1
91 . 1 1 12 12 ASN ND2 N 15 113.2610 0.10 . 1 . . . A 12 ASN ND2 . 19677 1
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