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 31175
_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-13C HSQC' . . . 31175 1
2 '2D 1H-1H NOESY' . . . 31175 1
3 '2D 1H-1H TOCSY' . . . 31175 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 SER H H 1 8.029 0.005 . . . . . . A 1 SER H1 . 31175 1
2 . 1 . 1 1 1 SER HA H 1 4.288 0.009 . . . . . . A 1 SER HA . 31175 1
3 . 1 . 1 1 1 SER HB2 H 1 3.781 0.107 . 2 . . . . A 1 SER HB2 . 31175 1
4 . 1 . 1 1 1 SER HB3 H 1 3.781 0.107 . 2 . . . . A 1 SER HB3 . 31175 1
5 . 1 . 1 1 1 SER CA C 13 59.299 0.091 . . . . . . A 1 SER CA . 31175 1
6 . 1 . 1 1 1 SER CB C 13 63.195 0.212 . . . . . . A 1 SER CB . 31175 1
7 . 1 . 1 2 2 ALA H H 1 7.983 0.895 . . . . . . A 2 ALA H . 31175 1
8 . 1 . 1 2 2 ALA HA H 1 4.153 0.042 . . . . . . A 2 ALA HA . 31175 1
9 . 1 . 1 2 2 ALA HB1 H 1 1.276 0.036 . . . . . . A 2 ALA HB1 . 31175 1
10 . 1 . 1 2 2 ALA HB2 H 1 1.276 0.036 . . . . . . A 2 ALA HB2 . 31175 1
11 . 1 . 1 2 2 ALA HB3 H 1 1.276 0.036 . . . . . . A 2 ALA HB3 . 31175 1
12 . 1 . 1 2 2 ALA CA C 13 56.659 0.087 . . . . . . A 2 ALA CA . 31175 1
13 . 1 . 1 2 2 ALA CB C 13 18.886 0.136 . . . . . . A 2 ALA CB . 31175 1
14 . 1 . 1 3 3 PHE H H 1 7.986 0.002 . . . . . . A 3 PHE H . 31175 1
15 . 1 . 1 3 3 PHE HA H 1 4.436 0.001 . . . . . . A 3 PHE HA . 31175 1
16 . 1 . 1 3 3 PHE HB2 H 1 2.856 0.141 . 2 . . . . A 3 PHE HB2 . 31175 1
17 . 1 . 1 3 3 PHE HB3 H 1 2.856 0.141 . 2 . . . . A 3 PHE HB3 . 31175 1
18 . 1 . 1 3 3 PHE CA C 13 58.010 0.000 . . . . . . A 3 PHE CA . 31175 1
19 . 1 . 1 3 3 PHE CB C 13 39.263 0.006 . . . . . . A 3 PHE CB . 31175 1
20 . 1 . 1 4 4 TRP H H 1 7.732 0.172 . . . . . . A 4 TRP H . 31175 1
21 . 1 . 1 4 4 TRP HA H 1 4.361 0.006 . . . . . . A 4 TRP HA . 31175 1
22 . 1 . 1 4 4 TRP HB2 H 1 3.151 0.040 . 2 . . . . A 4 TRP HB2 . 31175 1
23 . 1 . 1 4 4 TRP HB3 H 1 3.151 0.040 . 2 . . . . A 4 TRP HB3 . 31175 1
24 . 1 . 1 4 4 TRP CA C 13 58.437 0.045 . . . . . . A 4 TRP CA . 31175 1
25 . 1 . 1 4 4 TRP CB C 13 29.148 0.021 . . . . . . A 4 TRP CB . 31175 1
26 . 1 . 1 5 5 GLN H H 1 7.447 1.437 . . . . . . A 5 GLN H . 31175 1
27 . 1 . 1 5 5 GLN HA H 1 29.948 25.691 . . . . . . A 5 GLN HA . 31175 1
28 . 1 . 1 5 5 GLN HB2 H 1 1.639 0.103 . 2 . . . . A 5 GLN HB2 . 31175 1
29 . 1 . 1 5 5 GLN HB3 H 1 1.639 0.103 . 2 . . . . A 5 GLN HB3 . 31175 1
30 . 1 . 1 5 5 GLN CB C 13 32.224 0.159 . . . . . . A 5 GLN CB . 31175 1
31 . 1 . 1 6 6 TRP H H 1 7.736 0.174 . . . . . . A 6 TRP H . 31175 1
32 . 1 . 1 6 6 TRP HA H 1 4.409 0.094 . . . . . . A 6 TRP HA . 31175 1
33 . 1 . 1 6 6 TRP HB2 H 1 3.156 0.023 . 2 . . . . A 6 TRP HB2 . 31175 1
34 . 1 . 1 6 6 TRP HB3 H 1 3.156 0.023 . 2 . . . . A 6 TRP HB3 . 31175 1
35 . 1 . 1 6 6 TRP CA C 13 58.139 0.151 . . . . . . A 6 TRP CA . 31175 1
36 . 1 . 1 6 6 TRP CB C 13 28.996 0.187 . . . . . . A 6 TRP CB . 31175 1
37 . 1 . 1 7 7 PHE H H 1 7.374 0.465 . . . . . . A 7 PHE H . 31175 1
38 . 1 . 1 7 7 PHE HA H 1 3.968 0.142 . . . . . . A 7 PHE HA . 31175 1
39 . 1 . 1 7 7 PHE HB2 H 1 2.764 0.095 . 2 . . . . A 7 PHE HB2 . 31175 1
40 . 1 . 1 7 7 PHE HB3 H 1 2.764 0.095 . 2 . . . . A 7 PHE HB3 . 31175 1
41 . 1 . 1 7 7 PHE CA C 13 62.905 0.037 . . . . . . A 7 PHE CA . 31175 1
42 . 1 . 1 7 7 PHE CB C 13 39.511 0.061 . . . . . . A 7 PHE CB . 31175 1
43 . 1 . 1 8 8 SER H H 1 8.031 0.008 . . . . . . A 8 SER H . 31175 1
44 . 1 . 1 8 8 SER HA H 1 4.164 0.011 . . . . . . A 8 SER HA . 31175 1
45 . 1 . 1 8 8 SER HB2 H 1 3.678 0.102 . 2 . . . . A 8 SER HB2 . 31175 1
46 . 1 . 1 8 8 SER HB3 H 1 3.678 0.102 . 2 . . . . A 8 SER HB3 . 31175 1
47 . 1 . 1 8 8 SER CA C 13 58.947 0.128 . . . . . . A 8 SER CA . 31175 1
48 . 1 . 1 8 8 SER CB C 13 64.915 1.419 . . . . . . A 8 SER CB . 31175 1
49 . 1 . 1 9 9 LYS H H 1 7.622 0.408 . . . . . . A 9 LYS H . 31175 1
50 . 1 . 1 9 9 LYS HA H 1 4.051 0.067 . . . . . . A 9 LYS HA . 31175 1
51 . 1 . 1 9 9 LYS HB2 H 1 1.924 0.082 . 2 . . . . A 9 LYS HB2 . 31175 1
52 . 1 . 1 9 9 LYS HB3 H 1 1.924 0.082 . 2 . . . . A 9 LYS HB3 . 31175 1
53 . 1 . 1 9 9 LYS HG2 H 1 1.488 0.017 . 2 . . . . A 9 LYS HG2 . 31175 1
54 . 1 . 1 9 9 LYS HG3 H 1 1.488 0.017 . 2 . . . . A 9 LYS HG3 . 31175 1
55 . 1 . 1 9 9 LYS HD2 H 1 1.133 0.004 . 2 . . . . A 9 LYS HD2 . 31175 1
56 . 1 . 1 9 9 LYS HD3 H 1 1.133 0.004 . 2 . . . . A 9 LYS HD3 . 31175 1
57 . 1 . 1 9 9 LYS HE2 H 1 3.057 0.025 . 2 . . . . A 9 LYS HE2 . 31175 1
58 . 1 . 1 9 9 LYS HE3 H 1 3.057 0.025 . 2 . . . . A 9 LYS HE3 . 31175 1
59 . 1 . 1 9 9 LYS CA C 13 57.046 0.206 . . . . . . A 9 LYS CA . 31175 1
60 . 1 . 1 9 9 LYS CB C 13 33.612 0.024 . . . . . . A 9 LYS CB . 31175 1
61 . 1 . 1 9 9 LYS CG C 13 28.848 0.091 . . . . . . A 9 LYS CG . 31175 1
62 . 1 . 1 9 9 LYS CD C 13 24.508 0.047 . . . . . . A 9 LYS CD . 31175 1
63 . 1 . 1 9 9 LYS CE C 13 43.192 0.050 . . . . . . A 9 LYS CE . 31175 1
64 . 1 . 1 10 10 PHE H H 1 7.556 0.438 . . . . . . A 10 PHE H . 31175 1
65 . 1 . 1 10 10 PHE HA H 1 5.032 1.639 . . . . . . A 10 PHE HA . 31175 1
66 . 1 . 1 10 10 PHE HB2 H 1 2.929 0.150 . 2 . . . . A 10 PHE HB2 . 31175 1
67 . 1 . 1 10 10 PHE HB3 H 1 2.929 0.150 . 2 . . . . A 10 PHE HB3 . 31175 1
68 . 1 . 1 10 10 PHE CA C 13 43.432 27.870 . . . . . . A 10 PHE CA . 31175 1
69 . 1 . 1 10 10 PHE CB C 13 38.845 0.311 . . . . . . A 10 PHE CB . 31175 1
70 . 1 . 1 11 11 LEU H H 1 7.822 0.793 . . . . . . A 11 LEU H . 31175 1
71 . 1 . 1 11 11 LEU HA H 1 4.322 0.020 . . . . . . A 11 LEU HA . 31175 1
72 . 1 . 1 11 11 LEU HB2 H 1 1.470 0.044 . 2 . . . . A 11 LEU HB2 . 31175 1
73 . 1 . 1 11 11 LEU HB3 H 1 1.470 0.044 . 2 . . . . A 11 LEU HB3 . 31175 1
74 . 1 . 1 11 11 LEU HG H 1 1.492 0.019 . . . . . . A 11 LEU HG . 31175 1
75 . 1 . 1 11 11 LEU HD11 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD11 . 31175 1
76 . 1 . 1 11 11 LEU HD12 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD12 . 31175 1
77 . 1 . 1 11 11 LEU HD13 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD13 . 31175 1
78 . 1 . 1 11 11 LEU HD21 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD21 . 31175 1
79 . 1 . 1 11 11 LEU HD22 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD22 . 31175 1
80 . 1 . 1 11 11 LEU HD23 H 1 0.752 0.070 . 2 . . . . A 11 LEU HD23 . 31175 1
81 . 1 . 1 11 11 LEU CA C 13 53.607 0.346 . . . . . . A 11 LEU CA . 31175 1
82 . 1 . 1 11 11 LEU CB C 13 42.144 0.100 . . . . . . A 11 LEU CB . 31175 1
83 . 1 . 1 11 11 LEU CG C 13 26.944 0.053 . . . . . . A 11 LEU CG . 31175 1
84 . 1 . 1 11 11 LEU CD1 C 13 24.201 1.004 . . . . . . A 11 LEU CD1 . 31175 1
85 . 1 . 1 12 12 GLY H H 1 7.851 0.076 . . . . . . A 12 GLY H . 31175 1
86 . 1 . 1 12 12 GLY HA2 H 1 3.785 0.003 . 2 . . . . A 12 GLY HA2 . 31175 1
87 . 1 . 1 12 12 GLY HA3 H 1 3.785 0.003 . 2 . . . . A 12 GLY HA3 . 31175 1
88 . 1 . 1 12 12 GLY CA C 13 45.169 0.020 . . . . . . A 12 GLY CA . 31175 1
89 . 1 . 1 13 13 ARG H H 1 7.727 0.172 . . . . . . A 13 ARG H . 31175 1
90 . 1 . 1 13 13 ARG HA H 1 4.191 0.101 . . . . . . A 13 ARG HA . 31175 1
91 . 1 . 1 13 13 ARG HB2 H 1 1.659 0.106 . 2 . . . . A 13 ARG HB2 . 31175 1
92 . 1 . 1 13 13 ARG HB3 H 1 1.659 0.106 . 2 . . . . A 13 ARG HB3 . 31175 1
93 . 1 . 1 13 13 ARG HG2 H 1 1.302 0.176 . 2 . . . . A 13 ARG HG2 . 31175 1
94 . 1 . 1 13 13 ARG HG3 H 1 1.302 0.176 . 2 . . . . A 13 ARG HG3 . 31175 1
95 . 1 . 1 13 13 ARG HD2 H 1 2.785 0.013 . 2 . . . . A 13 ARG HD2 . 31175 1
96 . 1 . 1 13 13 ARG HD3 H 1 2.785 0.013 . 2 . . . . A 13 ARG HD3 . 31175 1
97 . 1 . 1 13 13 ARG CA C 13 55.128 0.017 . . . . . . A 13 ARG CA . 31175 1
98 . 1 . 1 13 13 ARG CB C 13 30.957 0.268 . . . . . . A 13 ARG CB . 31175 1
99 . 1 . 1 13 13 ARG CG C 13 0.000 0.000 . . . . . . A 13 ARG CG . 31175 1
100 . 1 . 1 13 13 ARG CD C 13 41.668 0.011 . . . . . . A 13 ARG CD . 31175 1
stop_
save_