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 50709
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name RGGmini_pH3
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.1
_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
2 '2D 1H-13C HSQC aliphatic' . . . 50709 1
3 '2D 1H-1H COSY' . . . 50709 1
4 '2D 1H-1H TOCSY' . . . 50709 1
5 '2D 1H-1H NOESY' . . . 50709 1
6 '2D 1H-13C HSQC aromatic' . . . 50709 1
7 '2D 1H-15N HSQC' . . . 50709 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 . . 50709 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 2 2 ARG HA H 1 4.08 0.01 . 1 . . . . . 1 ARG HA . 50709 1
2 . 1 . 1 2 2 ARG HB2 H 1 1.92 0.01 . 1 . . . . . 1 ARG HB2 . 50709 1
3 . 1 . 1 2 2 ARG HB3 H 1 1.93 0.01 . 1 . . . . . 1 ARG HB3 . 50709 1
4 . 1 . 1 2 2 ARG HG2 H 1 1.66 0.01 . 1 . . . . . 1 ARG HG2 . 50709 1
5 . 1 . 1 2 2 ARG HG3 H 1 1.66 0.01 . 1 . . . . . 1 ARG HG3 . 50709 1
6 . 1 . 1 2 2 ARG HD2 H 1 3.19 0.01 . 1 . . . . . 1 ARG HD2 . 50709 1
7 . 1 . 1 2 2 ARG HD3 H 1 3.19 0.01 . 1 . . . . . 1 ARG HD3 . 50709 1
8 . 1 . 1 2 2 ARG HE H 1 7.22 0.01 . 1 . . . . . 1 ARG HE . 50709 1
9 . 1 . 1 2 2 ARG CA C 13 58.25 0.1 . 1 . . . . . 1 ARG CA . 50709 1
10 . 1 . 1 2 2 ARG CB C 13 30.95 0.1 . 1 . . . . . 1 ARG CB . 50709 1
11 . 1 . 1 2 2 ARG CG C 13 27.0 0.1 . 1 . . . . . 1 ARG CG . 50709 1
12 . 1 . 1 2 2 ARG CD C 13 43.1 0.1 . 1 . . . . . 1 ARG CD . 50709 1
13 . 1 . 1 3 3 GLY H H 1 8.90 0.01 . 1 . . . . . 2 GLY H . 50709 1
14 . 1 . 1 3 3 GLY HA2 H 1 4.01 0.01 . 1 . . . . . 2 GLY HA2 . 50709 1
15 . 1 . 1 3 3 GLY HA3 H 1 4.01 0.01 . 1 . . . . . 2 GLY HA3 . 50709 1
16 . 1 . 1 3 3 GLY CA C 13 45.1 0.2 . 1 . . . . . 2 GLY CA . 50709 1
17 . 1 . 1 4 4 GLY H H 1 8.44 0.01 . 1 . . . . . 3 GLY H . 50709 1
18 . 1 . 1 4 4 GLY HA2 H 1 3.87 0.01 . 1 . . . . . 3 GLY HA2 . 50709 1
19 . 1 . 1 4 4 GLY HA3 H 1 3.87 0.01 . 1 . . . . . 3 GLY HA3 . 50709 1
20 . 1 . 1 4 4 GLY CA C 13 45.1 0.2 . 1 . . . . . 3 GLY CA . 50709 1
21 . 1 . 1 5 5 TYR H H 1 8.39 0.01 . 1 . . . . . 4 TYR H . 50709 1
22 . 1 . 1 5 5 TYR HA H 1 4.51 0.01 . 1 . . . . . 4 TYR HA . 50709 1
23 . 1 . 1 5 5 TYR HB2 H 1 3.01 0.01 . 2 . . . . . 4 TYR HB2 . 50709 1
24 . 1 . 1 5 5 TYR HB3 H 1 2.91 0.01 . 2 . . . . . 4 TYR HB3 . 50709 1
25 . 1 . 1 5 5 TYR HD1 H 1 7.07 0.01 . 3 . . . . . 4 TYR HD1 . 50709 1
26 . 1 . 1 5 5 TYR HD2 H 1 7.07 0.01 . 3 . . . . . 4 TYR HD2 . 50709 1
27 . 1 . 1 5 5 TYR HE1 H 1 6.79 0.01 . 3 . . . . . 4 TYR HE1 . 50709 1
28 . 1 . 1 5 5 TYR HE2 H 1 6.79 0.01 . 3 . . . . . 4 TYR HE2 . 50709 1
29 . 1 . 1 5 5 TYR CA C 13 58.37 0.1 . 1 . . . . . 4 TYR CA . 50709 1
30 . 1 . 1 5 5 TYR CB C 13 38.46 0.1 . 1 . . . . . 4 TYR CB . 50709 1
31 . 1 . 1 5 5 TYR CD1 C 13 133.0 0.1 . 3 . . . . . 4 TYR CD1 . 50709 1
32 . 1 . 1 5 5 TYR CD2 C 13 133.0 0.1 . 3 . . . . . 4 TYR CD2 . 50709 1
33 . 1 . 1 5 5 TYR CE1 C 13 117.9 0.1 . 3 . . . . . 4 TYR CE1 . 50709 1
34 . 1 . 1 5 5 TYR CE2 C 13 117.9 0.1 . 3 . . . . . 4 TYR CE2 . 50709 1
35 . 1 . 1 6 6 GLY H H 1 8.60 0.01 . 1 . . . . . 5 GLY H . 50709 1
36 . 1 . 1 6 6 GLY HA2 H 1 3.82 0.01 . 1 . . . . . 5 GLY HA2 . 50709 1
37 . 1 . 1 6 6 GLY HA3 H 1 3.82 0.01 . 1 . . . . . 5 GLY HA3 . 50709 1
38 . 1 . 1 6 6 GLY CA C 13 45.1 0.1 . 1 . . . . . 5 GLY CA . 50709 1
39 . 1 . 1 7 7 GLY H H 1 7.89 0.01 . 1 . . . . . 6 GLY H . 50709 1
40 . 1 . 1 7 7 GLY HA2 H 1 3.89 0.01 . 1 . . . . . 6 GLY HA2 . 50709 1
41 . 1 . 1 7 7 GLY HA3 H 1 3.89 0.01 . 1 . . . . . 6 GLY HA3 . 50709 1
42 . 1 . 1 7 7 GLY CA C 13 45.1 0.1 . 1 . . . . . 6 GLY CA . 50709 1
43 . 1 . 1 8 8 ARG H H 1 8.42 0.01 . 1 . . . . . 7 ARG H . 50709 1
44 . 1 . 1 8 8 ARG HA H 1 4.28 0.01 . 1 . . . . . 7 ARG HA . 50709 1
45 . 1 . 1 8 8 ARG HB2 H 1 1.87 0.01 . 2 . . . . . 7 ARG HB2 . 50709 1
46 . 1 . 1 8 8 ARG HB3 H 1 1.74 0.01 . 2 . . . . . 7 ARG HB3 . 50709 1
47 . 1 . 1 8 8 ARG HG2 H 1 1.62 0.01 . 2 . . . . . 7 ARG HG2 . 50709 1
48 . 1 . 1 8 8 ARG HG3 H 1 1.56 0.01 . 2 . . . . . 7 ARG HG3 . 50709 1
49 . 1 . 1 8 8 ARG HD2 H 1 3.19 0.01 . 1 . . . . . 7 ARG HD2 . 50709 1
50 . 1 . 1 8 8 ARG HD3 H 1 3.19 0.01 . 1 . . . . . 7 ARG HD3 . 50709 1
51 . 1 . 1 8 8 ARG HE H 1 7.19 0.01 . 1 . . . . . 7 ARG HE . 50709 1
52 . 1 . 1 8 8 ARG CA C 13 56.3 0.1 . 1 . . . . . 7 ARG CA . 50709 1
53 . 1 . 1 8 8 ARG CB C 13 30.4 0.1 . 1 . . . . . 7 ARG CB . 50709 1
54 . 1 . 1 8 8 ARG CG C 13 27.0 0.1 . 1 . . . . . 7 ARG CG . 50709 1
55 . 1 . 1 8 8 ARG CD C 13 43.1 0.1 . 1 . . . . . 7 ARG CD . 50709 1
56 . 1 . 1 9 9 GLY H H 1 8.62 0.01 . 1 . . . . . 8 GLY H . 50709 1
57 . 1 . 1 9 9 GLY HA2 H 1 3.91 0.01 . 1 . . . . . 8 GLY HA2 . 50709 1
58 . 1 . 1 9 9 GLY HA3 H 1 3.91 0.01 . 1 . . . . . 8 GLY HA3 . 50709 1
59 . 1 . 1 9 9 GLY CA C 13 45.1 0.2 . 1 . . . . . 8 GLY CA . 50709 1
60 . 1 . 1 10 10 GLY H H 1 8.25 0.01 . 1 . . . . . 9 GLY H . 50709 1
61 . 1 . 1 10 10 GLY HA2 H 1 3.87 0.01 . 1 . . . . . 9 GLY HA2 . 50709 1
62 . 1 . 1 10 10 GLY HA3 H 1 3.87 0.01 . 1 . . . . . 9 GLY HA3 . 50709 1
63 . 1 . 1 10 10 GLY CA C 13 45.1 0.2 . 1 . . . . . 9 GLY CA . 50709 1
64 . 1 . 1 11 11 TRP H H 1 8.28 0.01 . 1 . . . . . 10 TRP H . 50709 1
65 . 1 . 1 11 11 TRP HA H 1 4.64 0.01 . 1 . . . . . 10 TRP HA . 50709 1
66 . 1 . 1 11 11 TRP HB2 H 1 3.29 0.01 . . . . . . . 10 TRP HB2 . 50709 1
67 . 1 . 1 11 11 TRP HB3 H 1 3.21 0.01 . . . . . . . 10 TRP HB3 . 50709 1
68 . 1 . 1 11 11 TRP HD1 H 1 7.21 0.01 . 1 . . . . . 10 TRP HD1 . 50709 1
69 . 1 . 1 11 11 TRP HE1 H 1 10.17 0.01 . 1 . . . . . 10 TRP HE1 . 50709 1
70 . 1 . 1 11 11 TRP HE3 H 1 7.58 0.01 . 1 . . . . . 10 TRP HE3 . 50709 1
71 . 1 . 1 11 11 TRP HZ2 H 1 7.45 0.01 . 1 . . . . . 10 TRP HZ2 . 50709 1
72 . 1 . 1 11 11 TRP HZ3 H 1 7.13 0.01 . 1 . . . . . 10 TRP HZ3 . 50709 1
73 . 1 . 1 11 11 TRP HH2 H 1 7.22 0.01 . 1 . . . . . 10 TRP HH2 . 50709 1
74 . 1 . 1 11 11 TRP CA C 13 57.5 0.1 . 1 . . . . . 10 TRP CA . 50709 1
75 . 1 . 1 11 11 TRP CB C 13 29.3 0.1 . 1 . . . . . 10 TRP CB . 50709 1
76 . 1 . 1 11 11 TRP CD1 C 13 126.8 0.1 . 1 . . . . . 10 TRP CD1 . 50709 1
77 . 1 . 1 11 11 TRP CE3 C 13 120.7 0.1 . 1 . . . . . 10 TRP CE3 . 50709 1
78 . 1 . 1 11 11 TRP CZ2 C 13 114.4 0.1 . 1 . . . . . 10 TRP CZ2 . 50709 1
79 . 1 . 1 11 11 TRP CZ3 C 13 121.9 0.1 . 1 . . . . . 10 TRP CZ3 . 50709 1
80 . 1 . 1 11 11 TRP CH2 C 13 124.5 0.1 . 1 . . . . . 10 TRP CH2 . 50709 1
81 . 1 . 1 11 11 TRP NE1 N 15 129.5 0.2 . 1 . . . . . 10 TRP NE1 . 50709 1
82 . 1 . 1 12 12 GLY H H 1 8.56 0.01 . 1 . . . . . 11 GLY H . 50709 1
83 . 1 . 1 12 12 GLY HA2 H 1 3.79 0.01 . 1 . . . . . 11 GLY HA2 . 50709 1
84 . 1 . 1 12 12 GLY HA3 H 1 3.79 0.01 . 1 . . . . . 11 GLY HA3 . 50709 1
85 . 1 . 1 12 12 GLY CA C 13 45.1 0.2 . 1 . . . . . 11 GLY CA . 50709 1
86 . 1 . 1 13 13 GLY H H 1 8.24 0.01 . 1 . . . . . 12 GLY H . 50709 1
87 . 1 . 1 13 13 GLY HA2 H 1 3.81 0.01 . 1 . . . . . 12 GLY HA2 . 50709 1
88 . 1 . 1 13 13 GLY HA3 H 1 3.81 0.01 . 1 . . . . . 12 GLY HA3 . 50709 1
89 . 1 . 1 13 13 GLY CA C 13 45.1 0.1 . 1 . . . . . 12 GLY CA . 50709 1
90 . 1 . 1 14 14 ARG H H 1 8.29 0.01 . 1 . . . . . 13 ARG H . 50709 1
91 . 1 . 1 14 14 ARG HA H 1 4.33 0.01 . 1 . . . . . 13 ARG HA . 50709 1
92 . 1 . 1 14 14 ARG HB2 H 1 1.90 0.01 . 2 . . . . . 13 ARG HB2 . 50709 1
93 . 1 . 1 14 14 ARG HB3 H 1 1.77 0.01 . 2 . . . . . 13 ARG HB3 . 50709 1
94 . 1 . 1 14 14 ARG HG2 H 1 1.61 0.01 . 1 . . . . . 13 ARG HG2 . 50709 1
95 . 1 . 1 14 14 ARG HG3 H 1 1.61 0.01 . 1 . . . . . 13 ARG HG3 . 50709 1
96 . 1 . 1 14 14 ARG HD2 H 1 3.19 0.01 . 1 . . . . . 13 ARG HD2 . 50709 1
97 . 1 . 1 14 14 ARG HD3 H 1 3.19 0.01 . 1 . . . . . 13 ARG HD3 . 50709 1
98 . 1 . 1 14 14 ARG HE H 1 7.19 0.01 . 1 . . . . . 13 ARG HE . 50709 1
99 . 1 . 1 14 14 ARG CA C 13 56.1 0.1 . 1 . . . . . 13 ARG CA . 50709 1
100 . 1 . 1 14 14 ARG CB C 13 30.6 0.1 . 1 . . . . . 13 ARG CB . 50709 1
101 . 1 . 1 14 14 ARG CG C 13 27.0 0.1 . 1 . . . . . 13 ARG CG . 50709 1
102 . 1 . 1 14 14 ARG CD C 13 43.1 0.1 . 1 . . . . . 13 ARG CD . 50709 1
103 . 1 . 1 15 15 GLY H H 1 8.61 0.01 . 1 . . . . . 14 GLY H . 50709 1
104 . 1 . 1 15 15 GLY HA2 H 1 3.91 0.01 . 1 . . . . . 14 GLY HA2 . 50709 1
105 . 1 . 1 15 15 GLY HA3 H 1 3.91 0.01 . 1 . . . . . 14 GLY HA3 . 50709 1
106 . 1 . 1 15 15 GLY CA C 13 45.1 0.2 . 1 . . . . . 14 GLY CA . 50709 1
107 . 1 . 1 16 16 GLY H H 1 7.88 0.01 . 1 . . . . . 15 GLY H . 50709 1
108 . 1 . 1 16 16 GLY HA2 H 1 3.80 0.01 . 2 . . . . . 15 GLY HA2 . 50709 1
109 . 1 . 1 16 16 GLY HA3 H 1 3.80 0.01 . 2 . . . . . 15 GLY HA3 . 50709 1
110 . 1 . 1 16 16 GLY CA C 13 45.1 0.1 . 1 . . . . . 15 GLY CA . 50709 1
111 . 1 . 1 17 17 TYR H H 1 7.94 0.01 . 1 . . . . . 16 TYR H . 50709 1
112 . 1 . 1 17 17 TYR HA H 1 4.45 0.01 . 1 . . . . . 16 TYR HA . 50709 1
113 . 1 . 1 17 17 TYR HB2 H 1 3.06 0.01 . 2 . . . . . 16 TYR HB2 . 50709 1
114 . 1 . 1 17 17 TYR HB3 H 1 2.87 0.01 . 2 . . . . . 16 TYR HB3 . 50709 1
115 . 1 . 1 17 17 TYR HD1 H 1 7.07 0.01 . 3 . . . . . 16 TYR HD1 . 50709 1
116 . 1 . 1 17 17 TYR HD2 H 1 7.07 0.01 . 3 . . . . . 16 TYR HD2 . 50709 1
117 . 1 . 1 17 17 TYR HE1 H 1 6.79 0.01 . 3 . . . . . 16 TYR HE1 . 50709 1
118 . 1 . 1 17 17 TYR HE2 H 1 6.79 0.01 . 3 . . . . . 16 TYR HE2 . 50709 1
119 . 1 . 1 17 17 TYR CA C 13 59.2 0.1 . 1 . . . . . 16 TYR CA . 50709 1
120 . 1 . 1 17 17 TYR CB C 13 39.2 0.1 . 1 . . . . . 16 TYR CB . 50709 1
121 . 1 . 1 17 17 TYR CD1 C 13 133.0 0.1 . 3 . . . . . 16 TYR CD1 . 50709 1
122 . 1 . 1 17 17 TYR CD2 C 13 133.0 0.1 . 3 . . . . . 16 TYR CD2 . 50709 1
123 . 1 . 1 17 17 TYR CE1 C 13 117.9 0.1 . 3 . . . . . 16 TYR CE1 . 50709 1
124 . 1 . 1 17 17 TYR CE2 C 13 117.9 0.1 . 3 . . . . . 16 TYR CE2 . 50709 1
stop_
save_