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 31101
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 NOESY' . . . 31101 1
2 '2D 1H-1H TOCSY' . . . 31101 1
3 '2D 1H-13C HSQC' . . . 31101 1
4 '2D 1H-15N HSQC' . . . 31101 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 ARG H H 1 8.482 . . . . . . . A 1 ARG H1 . 31101 1
2 . 1 . 1 1 1 ARG HA H 1 4.236 . . . . . . . A 1 ARG HA . 31101 1
3 . 1 . 1 1 1 ARG HB2 H 1 1.819 . . . . . . . A 1 ARG HB2 . 31101 1
4 . 1 . 1 1 1 ARG HB3 H 1 1.819 . . . . . . . A 1 ARG HB3 . 31101 1
5 . 1 . 1 1 1 ARG CA C 13 56.559 . . . . . . . A 1 ARG CA . 31101 1
6 . 1 . 1 1 1 ARG CB C 13 30.622 . . . . . . . A 1 ARG CB . 31101 1
7 . 1 . 1 1 1 ARG N N 15 126.820 . . . . . . . A 1 ARG N . 31101 1
8 . 1 . 1 2 2 GLY H H 1 8.643 . . . . . . . A 2 GLY H . 31101 1
9 . 1 . 1 2 2 GLY HA2 H 1 3.928 . . . . . . . A 2 GLY HA2 . 31101 1
10 . 1 . 1 2 2 GLY HA3 H 1 3.928 . . . . . . . A 2 GLY HA3 . 31101 1
11 . 1 . 1 2 2 GLY CA C 13 45.347 . . . . . . . A 2 GLY CA . 31101 1
12 . 1 . 1 2 2 GLY N N 15 110.716 . . . . . . . A 2 GLY N . 31101 1
13 . 1 . 1 3 3 VAL H H 1 8.072 . . . . . . . A 3 VAL H . 31101 1
14 . 1 . 1 3 3 VAL HA H 1 4.147 . . . . . . . A 3 VAL HA . 31101 1
15 . 1 . 1 3 3 VAL HB H 1 2.035 . . . . . . . A 3 VAL HB . 31101 1
16 . 1 . 1 3 3 VAL CA C 13 62.217 . . . . . . . A 3 VAL CA . 31101 1
17 . 1 . 1 3 3 VAL CB C 13 32.648 . . . . . . . A 3 VAL CB . 31101 1
18 . 1 . 1 3 3 VAL N N 15 119.733 . . . . . . . A 3 VAL N . 31101 1
19 . 1 . 1 4 4 THR H H 1 8.466 . . . . . . . A 4 THR H . 31101 1
20 . 1 . 1 4 4 THR HA H 1 4.327 . . . . . . . A 4 THR HA . 31101 1
21 . 1 . 1 4 4 THR HB H 1 4.069 . . . . . . . A 4 THR HB . 31101 1
22 . 1 . 1 4 4 THR CA C 13 63.021 . . . . . . . A 4 THR CA . 31101 1
23 . 1 . 1 4 4 THR CB C 13 69.833 . . . . . . . A 4 THR CB . 31101 1
24 . 1 . 1 4 4 THR N N 15 117.479 . . . . . . . A 4 THR N . 31101 1
25 . 1 . 1 5 5 VAL H H 1 8.418 . . . . . . . A 5 VAL H . 31101 1
26 . 1 . 1 5 5 VAL HA H 1 4.371 . . . . . . . A 5 VAL HA . 31101 1
27 . 1 . 1 5 5 VAL HB H 1 2.025 . . . . . . . A 5 VAL HB . 31101 1
28 . 1 . 1 5 5 VAL CA C 13 59.802 . . . . . . . A 5 VAL CA . 31101 1
29 . 1 . 1 5 5 VAL CB C 13 32.407 . . . . . . . A 5 VAL CB . 31101 1
30 . 1 . 1 5 5 VAL N N 15 125.726 . . . . . . . A 5 VAL N . 31101 1
31 . 1 . 1 6 6 PRO HA H 1 4.318 . . . . . . . A 6 PRO HA . 31101 1
32 . 1 . 1 6 6 PRO HB2 H 1 2.214 . . . . . . . A 6 PRO HB2 . 31101 1
33 . 1 . 1 6 6 PRO HB3 H 1 2.214 . . . . . . . A 6 PRO HB3 . 31101 1
34 . 1 . 1 6 6 PRO CA C 13 61.905 . . . . . . . A 6 PRO CA . 31101 1
35 . 1 . 1 6 6 PRO CB C 13 32.225 . . . . . . . A 6 PRO CB . 31101 1
36 . 1 . 1 7 7 HIS H H 1 8.746 . . . . . . . A 7 HIS H . 31101 1
37 . 1 . 1 7 7 HIS HA H 1 4.638 . . . . . . . A 7 HIS HA . 31101 1
38 . 1 . 1 7 7 HIS HB2 H 1 3.185 . . . . . . . A 7 HIS HB2 . 31101 1
39 . 1 . 1 7 7 HIS HB3 H 1 3.185 . . . . . . . A 7 HIS HB3 . 31101 1
40 . 1 . 1 7 7 HIS CA C 13 55.235 . . . . . . . A 7 HIS CA . 31101 1
41 . 1 . 1 7 7 HIS CB C 13 28.910 . . . . . . . A 7 HIS CB . 31101 1
42 . 1 . 1 7 7 HIS N N 15 119.353 . . . . . . . A 7 HIS N . 31101 1
43 . 1 . 1 8 8 ASN H H 1 8.357 . . . . . . . A 8 ASN H . 31101 1
44 . 1 . 1 8 8 ASN HA H 1 4.584 . . . . . . . A 8 ASN HA . 31101 1
45 . 1 . 1 8 8 ASN HB2 H 1 2.744 . . . . . . . A 8 ASN HB2 . 31101 1
46 . 1 . 1 8 8 ASN HB3 H 1 2.744 . . . . . . . A 8 ASN HB3 . 31101 1
47 . 1 . 1 8 8 ASN CA C 13 53.295 . . . . . . . A 8 ASN CA . 31101 1
48 . 1 . 1 8 8 ASN CB C 13 39.287 . . . . . . . A 8 ASN CB . 31101 1
49 . 1 . 1 8 8 ASN N N 15 120.282 . . . . . . . A 8 ASN N . 31101 1
50 . 1 . 1 9 9 GLY H H 1 8.590 . . . . . . . A 9 GLY H . 31101 1
51 . 1 . 1 9 9 GLY HA2 H 1 3.909 . . . . . . . A 9 GLY HA2 . 31101 1
52 . 1 . 1 9 9 GLY HA3 H 1 3.909 . . . . . . . A 9 GLY HA3 . 31101 1
53 . 1 . 1 9 9 GLY CA C 13 45.284 . . . . . . . A 9 GLY CA . 31101 1
54 . 1 . 1 9 9 GLY N N 15 109.944 . . . . . . . A 9 GLY N . 31101 1
55 . 1 . 1 10 10 GLU H H 1 8.275 . . . . . . . A 10 GLU H . 31101 1
56 . 1 . 1 10 10 GLU HA H 1 4.354 . . . . . . . A 10 GLU HA . 31101 1
57 . 1 . 1 10 10 GLU HB2 H 1 2.080 . . . . . . . A 10 GLU HB2 . 31101 1
58 . 1 . 1 10 10 GLU HB3 H 1 2.080 . . . . . . . A 10 GLU HB3 . 31101 1
59 . 1 . 1 10 10 GLU CA C 13 55.806 . . . . . . . A 10 GLU CA . 31101 1
60 . 1 . 1 10 10 GLU CB C 13 29.183 . . . . . . . A 10 GLU CB . 31101 1
61 . 1 . 1 10 10 GLU N N 15 119.864 . . . . . . . A 10 GLU N . 31101 1
62 . 1 . 1 11 11 SER H H 1 8.465 . . . . . . . A 11 SER H . 31101 1
63 . 1 . 1 11 11 SER HA H 1 4.352 . . . . . . . A 11 SER HA . 31101 1
64 . 1 . 1 11 11 SER HB2 H 1 3.835 . . . . . . . A 11 SER HB2 . 31101 1
65 . 1 . 1 11 11 SER HB3 H 1 3.835 . . . . . . . A 11 SER HB3 . 31101 1
66 . 1 . 1 11 11 SER CA C 13 58.554 . . . . . . . A 11 SER CA . 31101 1
67 . 1 . 1 11 11 SER CB C 13 63.687 . . . . . . . A 11 SER CB . 31101 1
68 . 1 . 1 11 11 SER N N 15 120.135 . . . . . . . A 11 SER N . 31101 1
69 . 1 . 1 12 12 LYS H H 1 8.485 . . . . . . . A 12 LYS H . 31101 1
70 . 1 . 1 12 12 LYS HA H 1 4.215 . . . . . . . A 12 LYS HA . 31101 1
71 . 1 . 1 12 12 LYS HB2 H 1 1.667 . . . . . . . A 12 LYS HB2 . 31101 1
72 . 1 . 1 12 12 LYS HB3 H 1 1.667 . . . . . . . A 12 LYS HB3 . 31101 1
73 . 1 . 1 12 12 LYS CA C 13 56.418 . . . . . . . A 12 LYS CA . 31101 1
74 . 1 . 1 12 12 LYS CB C 13 32.745 . . . . . . . A 12 LYS CB . 31101 1
75 . 1 . 1 12 12 LYS N N 15 123.375 . . . . . . . A 12 LYS N . 31101 1
76 . 1 . 1 13 13 ASP H H 1 8.643 . . . . . . . A 13 ASP H . 31101 1
77 . 1 . 1 13 13 ASP HA H 1 4.652 . . . . . . . A 13 ASP HA . 31101 1
78 . 1 . 1 13 13 ASP HB2 H 1 2.754 . . . . . . . A 13 ASP HB2 . 31101 1
79 . 1 . 1 13 13 ASP HB3 H 1 2.754 . . . . . . . A 13 ASP HB3 . 31101 1
80 . 1 . 1 13 13 ASP CA C 13 53.299 . . . . . . . A 13 ASP CA . 31101 1
81 . 1 . 1 13 13 ASP CB C 13 38.825 . . . . . . . A 13 ASP CB . 31101 1
82 . 1 . 1 13 13 ASP N N 15 120.641 . . . . . . . A 13 ASP N . 31101 1
83 . 1 . 1 14 14 TYR H H 1 8.202 . . . . . . . A 14 TYR H . 31101 1
84 . 1 . 1 14 14 TYR HA H 1 4.494 . . . . . . . A 14 TYR HA . 31101 1
85 . 1 . 1 14 14 TYR HB2 H 1 3.036 . . . . . . . A 14 TYR HB2 . 31101 1
86 . 1 . 1 14 14 TYR HB3 H 1 3.036 . . . . . . . A 14 TYR HB3 . 31101 1
87 . 1 . 1 14 14 TYR CA C 13 58.161 . . . . . . . A 14 TYR CA . 31101 1
88 . 1 . 1 14 14 TYR CB C 13 38.611 . . . . . . . A 14 TYR CB . 31101 1
89 . 1 . 1 14 14 TYR N N 15 121.687 . . . . . . . A 14 TYR N . 31101 1
90 . 1 . 1 15 15 SER H H 1 8.245 . . . . . . . A 15 SER H . 31101 1
91 . 1 . 1 15 15 SER HA H 1 4.373 . . . . . . . A 15 SER HA . 31101 1
92 . 1 . 1 15 15 SER HB2 H 1 3.775 . . . . . . . A 15 SER HB2 . 31101 1
93 . 1 . 1 15 15 SER HB3 H 1 3.775 . . . . . . . A 15 SER HB3 . 31101 1
94 . 1 . 1 15 15 SER CA C 13 58.241 . . . . . . . A 15 SER CA . 31101 1
95 . 1 . 1 15 15 SER CB C 13 63.797 . . . . . . . A 15 SER CB . 31101 1
96 . 1 . 1 15 15 SER N N 15 118.097 . . . . . . . A 15 SER N . 31101 1
97 . 1 . 1 16 16 VAL H H 1 8.115 . . . . . . . A 16 VAL H . 31101 1
98 . 1 . 1 16 16 VAL HA H 1 4.040 . . . . . . . A 16 VAL HA . 31101 1
99 . 1 . 1 16 16 VAL HB H 1 2.047 . . . . . . . A 16 VAL HB . 31101 1
100 . 1 . 1 16 16 VAL CA C 13 62.142 . . . . . . . A 16 VAL CA . 31101 1
101 . 1 . 1 16 16 VAL CB C 13 32.392 . . . . . . . A 16 VAL CB . 31101 1
102 . 1 . 1 16 16 VAL N N 15 122.209 . . . . . . . A 16 VAL N . 31101 1
stop_
save_