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 52516
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Small hydrophobic protein 1-34 in DHPC'
_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-15N HSQC' . . . 52516 1
2 '2D 1H-13C HSQC' . . . 52516 1
3 '2D 1H-1H TOCSY' . . . 52516 1
4 '2D 1H-1H ROESY' . . . 52516 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
1 $software_1 . . 52516 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 8.194 0.000 . 1 . . . . . 1 ARG H . 52516 1
2 . 1 . 1 1 1 ARG HA H 1 4.200 0.000 . 1 . . . . . 1 ARG HA . 52516 1
3 . 1 . 1 1 1 ARG HB2 H 1 1.677 0.001 . 1 . . . . . 1 ARG HB2 . 52516 1
4 . 1 . 1 1 1 ARG HG2 H 1 1.569 0.005 . 1 . . . . . 1 ARG HG2 . 52516 1
5 . 1 . 1 1 1 ARG HD2 H 1 3.154 0.005 . 1 . . . . . 1 ARG HD2 . 52516 1
6 . 1 . 1 1 1 ARG CB C 13 30.725 0.000 . 1 . . . . . 1 ARG CB . 52516 1
7 . 1 . 1 1 1 ARG CG C 13 27.187 0.000 . 1 . . . . . 1 ARG CG . 52516 1
8 . 1 . 1 1 1 ARG CD C 13 43.393 0.000 . 1 . . . . . 1 ARG CD . 52516 1
9 . 1 . 1 1 1 ARG N N 15 126.237 0.000 . 1 . . . . . 1 ARG N . 52516 1
10 . 1 . 1 2 2 HIS H H 1 8.493 0.002 . 1 . . . . . 2 HIS H . 52516 1
11 . 1 . 1 2 2 HIS HA H 1 4.689 0.001 . 1 . . . . . 2 HIS HA . 52516 1
12 . 1 . 1 2 2 HIS HB2 H 1 3.145 0.005 . 2 . . . . . 2 HIS HB2 . 52516 1
13 . 1 . 1 2 2 HIS HB3 H 1 3.259 0.002 . 2 . . . . . 2 HIS HB3 . 52516 1
14 . 1 . 1 2 2 HIS CA C 13 55.084 0.000 . 1 . . . . . 2 HIS CA . 52516 1
15 . 1 . 1 2 2 HIS CB C 13 29.080 0.005 . 1 . . . . . 2 HIS CB . 52516 1
16 . 1 . 1 2 2 HIS N N 15 119.589 0.000 . 1 . . . . . 2 HIS N . 52516 1
17 . 1 . 1 3 3 ALA H H 1 8.242 0.002 . 1 . . . . . 3 ALA H . 52516 1
18 . 1 . 1 3 3 ALA HA H 1 4.276 0.001 . 1 . . . . . 3 ALA HA . 52516 1
19 . 1 . 1 3 3 ALA HB1 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB1 . 52516 1
20 . 1 . 1 3 3 ALA HB2 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB2 . 52516 1
21 . 1 . 1 3 3 ALA HB3 H 1 1.368 0.003 . 1 . . . . . 3 ALA HB3 . 52516 1
22 . 1 . 1 3 3 ALA CA C 13 52.624 0.000 . 1 . . . . . 3 ALA CA . 52516 1
23 . 1 . 1 3 3 ALA CB C 13 19.415 0.000 . 1 . . . . . 3 ALA CB . 52516 1
24 . 1 . 1 3 3 ALA N N 15 125.151 0.000 . 1 . . . . . 3 ALA N . 52516 1
25 . 1 . 1 4 4 ALA H H 1 8.233 0.001 . 1 . . . . . 4 ALA H . 52516 1
26 . 1 . 1 4 4 ALA HB1 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB1 . 52516 1
27 . 1 . 1 4 4 ALA HB2 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB2 . 52516 1
28 . 1 . 1 4 4 ALA HB3 H 1 1.328 0.002 . 1 . . . . . 4 ALA HB3 . 52516 1
29 . 1 . 1 4 4 ALA CB C 13 19.163 0.000 . 1 . . . . . 4 ALA CB . 52516 1
30 . 1 . 1 4 4 ALA N N 15 123.431 0.000 . 1 . . . . . 4 ALA N . 52516 1
31 . 1 . 1 5 5 LEU H H 1 8.009 0.001 . 1 . . . . . 5 LEU H . 52516 1
32 . 1 . 1 5 5 LEU HA H 1 4.230 0.000 . 1 . . . . . 5 LEU HA . 52516 1
33 . 1 . 1 5 5 LEU HB2 H 1 1.420 0.001 . 2 . . . . . 5 LEU HB2 . 52516 1
34 . 1 . 1 5 5 LEU HB3 H 1 1.512 0.000 . 2 . . . . . 5 LEU HB3 . 52516 1
35 . 1 . 1 5 5 LEU HD11 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD11 . 52516 1
36 . 1 . 1 5 5 LEU HD12 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD12 . 52516 1
37 . 1 . 1 5 5 LEU HD13 H 1 0.838 0.001 . 1 . . . . . 5 LEU HD13 . 52516 1
38 . 1 . 1 5 5 LEU CB C 13 42.491 0.001 . 1 . . . . . 5 LEU CB . 52516 1
39 . 1 . 1 5 5 LEU CD1 C 13 23.723 0.000 . 1 . . . . . 5 LEU CD1 . 52516 1
40 . 1 . 1 5 5 LEU N N 15 120.888 0.000 . 1 . . . . . 5 LEU N . 52516 1
41 . 1 . 1 6 6 TYR H H 1 7.957 0.001 . 1 . . . . . 6 TYR H . 52516 1
42 . 1 . 1 6 6 TYR HA H 1 4.537 0.001 . 1 . . . . . 6 TYR HA . 52516 1
43 . 1 . 1 6 6 TYR HB2 H 1 2.806 0.000 . 1 . . . . . 6 TYR HB2 . 52516 1
44 . 1 . 1 6 6 TYR CA C 13 57.776 0.000 . 1 . . . . . 6 TYR CA . 52516 1
45 . 1 . 1 6 6 TYR CB C 13 39.700 0.000 . 1 . . . . . 6 TYR CB . 52516 1
46 . 1 . 1 6 6 TYR N N 15 120.798 0.000 . 1 . . . . . 6 TYR N . 52516 1
47 . 1 . 1 7 7 GLN H H 1 8.065 0.001 . 1 . . . . . 7 GLN H . 52516 1
48 . 1 . 1 7 7 GLN HA H 1 4.250 0.002 . 1 . . . . . 7 GLN HA . 52516 1
49 . 1 . 1 7 7 GLN HB2 H 1 2.031 0.001 . 2 . . . . . 7 GLN HB2 . 52516 1
50 . 1 . 1 7 7 GLN HB3 H 1 1.905 0.002 . 2 . . . . . 7 GLN HB3 . 52516 1
51 . 1 . 1 7 7 GLN HG2 H 1 2.246 0.001 . 1 . . . . . 7 GLN HG2 . 52516 1
52 . 1 . 1 7 7 GLN CA C 13 55.798 0.000 . 1 . . . . . 7 GLN CA . 52516 1
53 . 1 . 1 7 7 GLN CB C 13 29.628 0.002 . 1 . . . . . 7 GLN CB . 52516 1
54 . 1 . 1 7 7 GLN CG C 13 33.820 0.000 . 1 . . . . . 7 GLN CG . 52516 1
55 . 1 . 1 7 7 GLN N N 15 121.860 0.000 . 1 . . . . . 7 GLN N . 52516 1
56 . 1 . 1 8 8 ARG H H 1 8.155 0.001 . 1 . . . . . 8 ARG H . 52516 1
57 . 1 . 1 8 8 ARG HA H 1 4.227 0.000 . 1 . . . . . 8 ARG HA . 52516 1
58 . 1 . 1 8 8 ARG HB2 H 1 1.713 0.002 . 2 . . . . . 8 ARG HB2 . 52516 1
59 . 1 . 1 8 8 ARG HB3 H 1 1.772 0.000 . 2 . . . . . 8 ARG HB3 . 52516 1
60 . 1 . 1 8 8 ARG CA C 13 55.569 0.000 . 1 . . . . . 8 ARG CA . 52516 1
61 . 1 . 1 8 8 ARG CB C 13 30.725 0.000 . 1 . . . . . 8 ARG CB . 52516 1
62 . 1 . 1 8 8 ARG N N 15 121.739 0.000 . 1 . . . . . 8 ARG N . 52516 1
63 . 1 . 1 9 9 SER H H 1 8.089 0.001 . 1 . . . . . 9 SER H . 52516 1
64 . 1 . 1 9 9 SER HA H 1 4.356 0.003 . 1 . . . . . 9 SER HA . 52516 1
65 . 1 . 1 9 9 SER HB2 H 1 3.734 0.005 . 1 . . . . . 9 SER HB2 . 52516 1
66 . 1 . 1 9 9 SER CA C 13 58.354 0.000 . 1 . . . . . 9 SER CA . 52516 1
67 . 1 . 1 9 9 SER CB C 13 63.903 0.000 . 1 . . . . . 9 SER CB . 52516 1
68 . 1 . 1 9 9 SER N N 15 115.968 0.000 . 1 . . . . . 9 SER N . 52516 1
69 . 1 . 1 10 10 PHE H H 1 8.043 0.002 . 1 . . . . . 10 PHE H . 52516 1
70 . 1 . 1 10 10 PHE HA H 1 4.512 0.000 . 1 . . . . . 10 PHE HA . 52516 1
71 . 1 . 1 10 10 PHE HB2 H 1 2.988 0.001 . 2 . . . . . 10 PHE HB2 . 52516 1
72 . 1 . 1 10 10 PHE HB3 H 1 2.877 0.002 . 2 . . . . . 10 PHE HB3 . 52516 1
73 . 1 . 1 10 10 PHE CB C 13 39.582 0.003 . 1 . . . . . 10 PHE CB . 52516 1
74 . 1 . 1 10 10 PHE N N 15 121.573 0.000 . 1 . . . . . 10 PHE N . 52516 1
75 . 1 . 1 11 11 PHE H H 1 7.955 0.003 . 1 . . . . . 11 PHE H . 52516 1
76 . 1 . 1 11 11 PHE HA H 1 4.436 0.000 . 1 . . . . . 11 PHE HA . 52516 1
77 . 1 . 1 11 11 PHE HB2 H 1 3.027 0.001 . 2 . . . . . 11 PHE HB2 . 52516 1
78 . 1 . 1 11 11 PHE HB3 H 1 2.936 0.001 . 2 . . . . . 11 PHE HB3 . 52516 1
79 . 1 . 1 11 11 PHE CA C 13 57.776 0.000 . 1 . . . . . 11 PHE CA . 52516 1
80 . 1 . 1 11 11 PHE CB C 13 38.667 0.000 . 1 . . . . . 11 PHE CB . 52516 1
81 . 1 . 1 11 11 PHE N N 15 120.046 0.000 . 1 . . . . . 11 PHE N . 52516 1
82 . 1 . 1 12 12 HIS H H 1 8.084 0.002 . 1 . . . . . 12 HIS H . 52516 1
83 . 1 . 1 12 12 HIS HA H 1 4.540 0.000 . 1 . . . . . 12 HIS HA . 52516 1
84 . 1 . 1 12 12 HIS HB2 H 1 3.005 0.001 . 2 . . . . . 12 HIS HB2 . 52516 1
85 . 1 . 1 12 12 HIS HB3 H 1 3.111 0.001 . 2 . . . . . 12 HIS HB3 . 52516 1
86 . 1 . 1 12 12 HIS CB C 13 28.949 0.000 . 1 . . . . . 12 HIS CB . 52516 1
87 . 1 . 1 12 12 HIS N N 15 120.204 0.000 . 1 . . . . . 12 HIS N . 52516 1
88 . 1 . 1 13 13 TRP H H 1 7.998 0.001 . 1 . . . . . 13 TRP H . 52516 1
89 . 1 . 1 13 13 TRP HA H 1 4.580 0.001 . 1 . . . . . 13 TRP HA . 52516 1
90 . 1 . 1 13 13 TRP HB2 H 1 3.129 0.000 . 1 . . . . . 13 TRP HB2 . 52516 1
91 . 1 . 1 13 13 TRP CA C 13 57.450 0.000 . 1 . . . . . 13 TRP CA . 52516 1
92 . 1 . 1 13 13 TRP CB C 13 30.014 0.000 . 1 . . . . . 13 TRP CB . 52516 1
93 . 1 . 1 13 13 TRP N N 15 122.584 0.000 . 1 . . . . . 13 TRP N . 52516 1
94 . 1 . 1 14 14 SER H H 1 8.014 0.002 . 1 . . . . . 14 SER H . 52516 1
95 . 1 . 1 14 14 SER HA H 1 4.311 0.002 . 1 . . . . . 14 SER HA . 52516 1
96 . 1 . 1 14 14 SER HB2 H 1 3.695 0.002 . 1 . . . . . 14 SER HB2 . 52516 1
97 . 1 . 1 14 14 SER CA C 13 58.289 0.000 . 1 . . . . . 14 SER CA . 52516 1
98 . 1 . 1 14 14 SER CB C 13 63.957 0.000 . 1 . . . . . 14 SER CB . 52516 1
99 . 1 . 1 14 14 SER N N 15 117.105 0.000 . 1 . . . . . 14 SER N . 52516 1
100 . 1 . 1 15 15 PHE H H 1 7.893 0.001 . 1 . . . . . 15 PHE H . 52516 1
101 . 1 . 1 15 15 PHE HA H 1 4.506 0.000 . 1 . . . . . 15 PHE HA . 52516 1
102 . 1 . 1 15 15 PHE HB2 H 1 2.940 0.001 . 2 . . . . . 15 PHE HB2 . 52516 1
103 . 1 . 1 15 15 PHE HB3 H 1 3.100 0.001 . 2 . . . . . 15 PHE HB3 . 52516 1
104 . 1 . 1 15 15 PHE CB C 13 39.326 0.001 . 1 . . . . . 15 PHE CB . 52516 1
105 . 1 . 1 15 15 PHE N N 15 121.002 0.000 . 1 . . . . . 15 PHE N . 52516 1
106 . 1 . 1 16 16 ASP H H 1 8.113 0.006 . 1 . . . . . 16 ASP H . 52516 1
107 . 1 . 1 16 16 ASP HA H 1 4.520 0.001 . 1 . . . . . 16 ASP HA . 52516 1
108 . 1 . 1 16 16 ASP HB2 H 1 2.621 0.002 . 1 . . . . . 16 ASP HB2 . 52516 1
109 . 1 . 1 16 16 ASP CA C 13 54.098 0.000 . 1 . . . . . 16 ASP CA . 52516 1
110 . 1 . 1 16 16 ASP CB C 13 40.589 0.000 . 1 . . . . . 16 ASP CB . 52516 1
111 . 1 . 1 16 16 ASP N N 15 120.205 0.000 . 1 . . . . . 16 ASP N . 52516 1
112 . 1 . 1 17 17 HIS H H 1 8.141 0.004 . 1 . . . . . 17 HIS H . 52516 1
113 . 1 . 1 17 17 HIS HA H 1 4.652 0.005 . 1 . . . . . 17 HIS HA . 52516 1
114 . 1 . 1 17 17 HIS HB2 H 1 3.107 0.001 . 2 . . . . . 17 HIS HB2 . 52516 1
115 . 1 . 1 17 17 HIS HB3 H 1 3.266 0.000 . 2 . . . . . 17 HIS HB3 . 52516 1
116 . 1 . 1 17 17 HIS CA C 13 55.343 0.000 . 1 . . . . . 17 HIS CA . 52516 1
117 . 1 . 1 17 17 HIS CB C 13 28.958 0.000 . 1 . . . . . 17 HIS CB . 52516 1
118 . 1 . 1 17 17 HIS N N 15 118.337 0.000 . 1 . . . . . 17 HIS N . 52516 1
119 . 1 . 1 18 18 SER H H 1 8.280 0.002 . 1 . . . . . 18 SER H . 52516 1
120 . 1 . 1 18 18 SER HA H 1 4.412 0.004 . 1 . . . . . 18 SER HA . 52516 1
121 . 1 . 1 18 18 SER HB2 H 1 3.850 0.001 . 1 . . . . . 18 SER HB2 . 52516 1
122 . 1 . 1 18 18 SER CA C 13 58.761 0.000 . 1 . . . . . 18 SER CA . 52516 1
123 . 1 . 1 18 18 SER CB C 13 64.019 0.000 . 1 . . . . . 18 SER CB . 52516 1
124 . 1 . 1 18 18 SER N N 15 117.239 0.000 . 1 . . . . . 18 SER N . 52516 1
125 . 1 . 1 19 19 LEU H H 1 7.872 0.005 . 1 . . . . . 19 LEU H . 52516 1
126 . 1 . 1 19 19 LEU HA H 1 4.229 0.000 . 1 . . . . . 19 LEU HA . 52516 1
127 . 1 . 1 19 19 LEU HB2 H 1 1.587 0.001 . 1 . . . . . 19 LEU HB2 . 52516 1
128 . 1 . 1 19 19 LEU HD11 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD11 . 52516 1
129 . 1 . 1 19 19 LEU HD12 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD12 . 52516 1
130 . 1 . 1 19 19 LEU HD13 H 1 0.865 0.003 . 1 . . . . . 19 LEU HD13 . 52516 1
131 . 1 . 1 19 19 LEU CB C 13 43.352 0.000 . 1 . . . . . 19 LEU CB . 52516 1
132 . 1 . 1 19 19 LEU CD1 C 13 24.772 0.000 . 1 . . . . . 19 LEU CD1 . 52516 1
133 . 1 . 1 19 19 LEU N N 15 128.780 0.000 . 1 . . . . . 19 LEU N . 52516 1
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save_