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 31100
_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' . . . 31100 1
2 '2D 1H-1H TOCSY' . . . 31100 1
3 '2D 1H-13C HSQC' . . . 31100 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 PHE H H 1 8.297 0.001 . . . . . . A 1 PHE H . 31100 1
2 . 1 . 1 1 1 PHE HA H 1 4.525 0.007 . . . . . . A 1 PHE HA . 31100 1
3 . 1 . 1 1 1 PHE HB2 H 1 3.136 0.002 . . . . . . A 1 PHE HB2 . 31100 1
4 . 1 . 1 1 1 PHE HB3 H 1 3.136 0.002 . . . . . . A 1 PHE HB3 . 31100 1
5 . 1 . 1 1 1 PHE CA C 13 57.194 0.000 . . . . . . A 1 PHE CA . 31100 1
6 . 1 . 1 1 1 PHE CB C 13 39.615 0.000 . . . . . . A 1 PHE CB . 31100 1
7 . 1 . 1 2 2 VAL H H 1 8.477 0.001 . . . . . . A 2 VAL H . 31100 1
8 . 1 . 1 2 2 VAL HA H 1 3.973 0.004 . . . . . . A 2 VAL HA . 31100 1
9 . 1 . 1 2 2 VAL HB H 1 1.812 0.008 . . . . . . A 2 VAL HB . 31100 1
10 . 1 . 1 2 2 VAL HG11 H 1 0.758 0.058 . . . . . . A 2 VAL HG11 . 31100 1
11 . 1 . 1 2 2 VAL HG12 H 1 0.758 0.058 . . . . . . A 2 VAL HG12 . 31100 1
12 . 1 . 1 2 2 VAL HG13 H 1 0.758 0.058 . . . . . . A 2 VAL HG13 . 31100 1
13 . 1 . 1 2 2 VAL HG21 H 1 0.758 0.058 . . . . . . A 2 VAL HG21 . 31100 1
14 . 1 . 1 2 2 VAL HG22 H 1 0.758 0.058 . . . . . . A 2 VAL HG22 . 31100 1
15 . 1 . 1 2 2 VAL HG23 H 1 0.758 0.058 . . . . . . A 2 VAL HG23 . 31100 1
16 . 1 . 1 2 2 VAL CA C 13 61.917 0.000 . . . . . . A 2 VAL CA . 31100 1
17 . 1 . 1 2 2 VAL CB C 13 29.673 0.000 . . . . . . A 2 VAL CB . 31100 1
18 . 1 . 1 2 2 VAL CG1 C 13 22.924 2.030 . . . . . . A 2 VAL CG1 . 31100 1
19 . 1 . 1 3 3 GLN H H 1 8.506 0.001 . . . . . . A 3 GLN H . 31100 1
20 . 1 . 1 3 3 GLN HA H 1 4.293 0.001 . . . . . . A 3 GLN HA . 31100 1
21 . 1 . 1 3 3 GLN HB2 H 1 2.136 0.003 . . . . . . A 3 GLN HB2 . 31100 1
22 . 1 . 1 3 3 GLN HB3 H 1 2.136 0.003 . . . . . . A 3 GLN HB3 . 31100 1
23 . 1 . 1 3 3 GLN CA C 13 55.536 0.000 . . . . . . A 3 GLN CA . 31100 1
24 . 1 . 1 3 3 GLN CB C 13 33.653 0.000 . . . . . . A 3 GLN CB . 31100 1
25 . 1 . 1 4 4 TRP H H 1 8.262 0.002 . . . . . . A 4 TRP H . 31100 1
26 . 1 . 1 4 4 TRP HA H 1 4.248 0.002 . . . . . . A 4 TRP HA . 31100 1
27 . 1 . 1 4 4 TRP HB2 H 1 3.131 0.003 . . . . . . A 4 TRP HB2 . 31100 1
28 . 1 . 1 4 4 TRP HB3 H 1 3.131 0.003 . . . . . . A 4 TRP HB3 . 31100 1
29 . 1 . 1 4 4 TRP CA C 13 56.527 0.000 . . . . . . A 4 TRP CA . 31100 1
30 . 1 . 1 4 4 TRP CB C 13 29.786 0.000 . . . . . . A 4 TRP CB . 31100 1
31 . 1 . 1 5 5 PHE H H 1 7.927 0.002 . . . . . . A 5 PHE H . 31100 1
32 . 1 . 1 5 5 PHE HA H 1 4.415 0.006 . . . . . . A 5 PHE HA . 31100 1
33 . 1 . 1 5 5 PHE HB2 H 1 2.802 0.009 . . . . . . A 5 PHE HB2 . 31100 1
34 . 1 . 1 5 5 PHE HB3 H 1 2.802 0.009 . . . . . . A 5 PHE HB3 . 31100 1
35 . 1 . 1 5 5 PHE CA C 13 57.341 0.000 . . . . . . A 5 PHE CA . 31100 1
36 . 1 . 1 5 5 PHE CB C 13 39.846 0.000 . . . . . . A 5 PHE CB . 31100 1
37 . 1 . 1 6 6 SER H H 1 8.050 0.000 . . . . . . A 6 SER H . 31100 1
38 . 1 . 1 6 6 SER HA H 1 4.220 0.003 . . . . . . A 6 SER HA . 31100 1
39 . 1 . 1 6 6 SER HB2 H 1 3.711 0.042 . . . . . . A 6 SER HB2 . 31100 1
40 . 1 . 1 6 6 SER HB3 H 1 3.711 0.042 . . . . . . A 6 SER HB3 . 31100 1
41 . 1 . 1 6 6 SER CA C 13 55.137 0.000 . . . . . . A 6 SER CA . 31100 1
42 . 1 . 1 6 6 SER CB C 13 63.503 0.006 . . . . . . A 6 SER CB . 31100 1
43 . 1 . 1 7 7 LYS H H 1 7.972 0.002 . . . . . . A 7 LYS H . 31100 1
44 . 1 . 1 7 7 LYS HA H 1 4.328 0.004 . . . . . . A 7 LYS HA . 31100 1
45 . 1 . 1 7 7 LYS HB2 H 1 1.748 0.001 . . . . . . A 7 LYS HB2 . 31100 1
46 . 1 . 1 7 7 LYS HB3 H 1 1.748 0.001 . . . . . . A 7 LYS HB3 . 31100 1
47 . 1 . 1 7 7 LYS HG2 H 1 1.481 0.004 . . . . . . A 7 LYS HG2 . 31100 1
48 . 1 . 1 7 7 LYS HG3 H 1 1.481 0.004 . . . . . . A 7 LYS HG3 . 31100 1
49 . 1 . 1 7 7 LYS HD2 H 1 1.659 0.000 . . . . . . A 7 LYS HD2 . 31100 1
50 . 1 . 1 7 7 LYS HD3 H 1 1.659 0.000 . . . . . . A 7 LYS HD3 . 31100 1
51 . 1 . 1 7 7 LYS HE2 H 1 3.082 0.003 . . . . . . A 7 LYS HE2 . 31100 1
52 . 1 . 1 7 7 LYS HE3 H 1 3.082 0.003 . . . . . . A 7 LYS HE3 . 31100 1
53 . 1 . 1 7 7 LYS CA C 13 55.572 0.000 . . . . . . A 7 LYS CA . 31100 1
54 . 1 . 1 7 7 LYS CB C 13 31.199 0.000 . . . . . . A 7 LYS CB . 31100 1
55 . 1 . 1 7 7 LYS CG C 13 26.852 0.000 . . . . . . A 7 LYS CG . 31100 1
56 . 1 . 1 7 7 LYS CD C 13 31.240 0.000 . . . . . . A 7 LYS CD . 31100 1
57 . 1 . 1 7 7 LYS CE C 13 43.217 0.000 . . . . . . A 7 LYS CE . 31100 1
58 . 1 . 1 8 8 PHE H H 1 8.212 0.000 . . . . . . A 8 PHE H . 31100 1
59 . 1 . 1 8 8 PHE HA H 1 4.522 0.005 . . . . . . A 8 PHE HA . 31100 1
60 . 1 . 1 8 8 PHE HB2 H 1 2.994 0.059 . . . . . . A 8 PHE HB2 . 31100 1
61 . 1 . 1 8 8 PHE HB3 H 1 2.994 0.059 . . . . . . A 8 PHE HB3 . 31100 1
62 . 1 . 1 8 8 PHE CA C 13 57.669 0.000 . . . . . . A 8 PHE CA . 31100 1
63 . 1 . 1 8 8 PHE CB C 13 39.397 0.022 . . . . . . A 8 PHE CB . 31100 1
64 . 1 . 1 9 9 LEU H H 1 8.101 0.001 . . . . . . A 9 LEU H . 31100 1
65 . 1 . 1 9 9 LEU HA H 1 4.172 0.061 . . . . . . A 9 LEU HA . 31100 1
66 . 1 . 1 9 9 LEU HB2 H 1 1.504 0.021 . . . . . . A 9 LEU HB2 . 31100 1
67 . 1 . 1 9 9 LEU HB3 H 1 1.504 0.021 . . . . . . A 9 LEU HB3 . 31100 1
68 . 1 . 1 9 9 LEU HG H 1 1.529 0.003 . . . . . . A 9 LEU HG . 31100 1
69 . 1 . 1 9 9 LEU HD11 H 1 0.822 0.028 . . . . . . A 9 LEU HD11 . 31100 1
70 . 1 . 1 9 9 LEU HD12 H 1 0.822 0.028 . . . . . . A 9 LEU HD12 . 31100 1
71 . 1 . 1 9 9 LEU HD13 H 1 0.822 0.028 . . . . . . A 9 LEU HD13 . 31100 1
72 . 1 . 1 9 9 LEU HD21 H 1 0.822 0.028 . . . . . . A 9 LEU HD21 . 31100 1
73 . 1 . 1 9 9 LEU HD22 H 1 0.822 0.028 . . . . . . A 9 LEU HD22 . 31100 1
74 . 1 . 1 9 9 LEU HD23 H 1 0.822 0.028 . . . . . . A 9 LEU HD23 . 31100 1
75 . 1 . 1 9 9 LEU CA C 13 56.755 0.000 . . . . . . A 9 LEU CA . 31100 1
76 . 1 . 1 9 9 LEU CB C 13 42.497 0.047 . . . . . . A 9 LEU CB . 31100 1
77 . 1 . 1 9 9 LEU CG C 13 26.979 0.000 . . . . . . A 9 LEU CG . 31100 1
78 . 1 . 1 9 9 LEU CD1 C 13 20.668 0.275 . . . . . . A 9 LEU CD1 . 31100 1
79 . 1 . 1 10 10 GLY H H 1 7.837 0.000 . . . . . . A 10 GLY H . 31100 1
80 . 1 . 1 10 10 GLY HA2 H 1 3.773 0.004 . . . . . . A 10 GLY HA2 . 31100 1
81 . 1 . 1 10 10 GLY HA3 H 1 3.773 0.004 . . . . . . A 10 GLY HA3 . 31100 1
82 . 1 . 1 10 10 GLY CA C 13 45.085 0.000 . . . . . . A 10 GLY CA . 31100 1
83 . 1 . 1 11 11 ARG H H 1 8.508 0.001 . . . . . . A 11 ARG H . 31100 1
84 . 1 . 1 11 11 ARG HA H 1 4.220 0.004 . . . . . . A 11 ARG HA . 31100 1
85 . 1 . 1 11 11 ARG HB2 H 1 1.813 0.005 . . . . . . A 11 ARG HB2 . 31100 1
86 . 1 . 1 11 11 ARG HB3 H 1 1.813 0.005 . . . . . . A 11 ARG HB3 . 31100 1
87 . 1 . 1 11 11 ARG HG2 H 1 1.557 0.001 . . . . . . A 11 ARG HG2 . 31100 1
88 . 1 . 1 11 11 ARG HG3 H 1 1.557 0.001 . . . . . . A 11 ARG HG3 . 31100 1
89 . 1 . 1 11 11 ARG CA C 13 57.773 0.000 . . . . . . A 11 ARG CA . 31100 1
90 . 1 . 1 11 11 ARG CB C 13 33.054 0.000 . . . . . . A 11 ARG CB . 31100 1
91 . 1 . 1 11 11 ARG CG C 13 27.128 0.000 . . . . . . A 11 ARG CG . 31100 1
92 . 1 . 1 12 12 ILE H H 1 8.389 0.000 . . . . . . A 12 ILE H . 31100 1
93 . 1 . 1 12 12 ILE HA H 1 4.115 0.005 . . . . . . A 12 ILE HA . 31100 1
94 . 1 . 1 12 12 ILE HB H 1 1.784 0.003 . . . . . . A 12 ILE HB . 31100 1
95 . 1 . 1 12 12 ILE HG12 H 1 1.307 0.180 . . . . . . A 12 ILE HG12 . 31100 1
96 . 1 . 1 12 12 ILE HG13 H 1 1.307 0.180 . . . . . . A 12 ILE HG13 . 31100 1
97 . 1 . 1 12 12 ILE HG21 H 1 0.869 0.001 . . . . . . A 12 ILE HG21 . 31100 1
98 . 1 . 1 12 12 ILE HG22 H 1 0.869 0.001 . . . . . . A 12 ILE HG22 . 31100 1
99 . 1 . 1 12 12 ILE HG23 H 1 0.869 0.001 . . . . . . A 12 ILE HG23 . 31100 1
100 . 1 . 1 12 12 ILE HD11 H 1 0.804 0.007 . . . . . . A 12 ILE HD11 . 31100 1
101 . 1 . 1 12 12 ILE HD12 H 1 0.804 0.007 . . . . . . A 12 ILE HD12 . 31100 1
102 . 1 . 1 12 12 ILE HD13 H 1 0.804 0.007 . . . . . . A 12 ILE HD13 . 31100 1
103 . 1 . 1 12 12 ILE CA C 13 60.805 0.000 . . . . . . A 12 ILE CA . 31100 1
104 . 1 . 1 12 12 ILE CB C 13 38.417 0.000 . . . . . . A 12 ILE CB . 31100 1
105 . 1 . 1 12 12 ILE CG1 C 13 27.261 0.003 . . . . . . A 12 ILE CG1 . 31100 1
106 . 1 . 1 12 12 ILE CG2 C 13 17.328 0.000 . . . . . . A 12 ILE CG2 . 31100 1
107 . 1 . 1 12 12 ILE CD1 C 13 12.601 0.000 . . . . . . A 12 ILE CD1 . 31100 1
108 . 1 . 1 13 13 LEU H H 1 8.524 0.002 . . . . . . A 13 LEU H . 31100 1
109 . 1 . 1 13 13 LEU HA H 1 4.290 0.007 . . . . . . A 13 LEU HA . 31100 1
110 . 1 . 1 13 13 LEU HB2 H 1 1.525 0.032 . . . . . . A 13 LEU HB2 . 31100 1
111 . 1 . 1 13 13 LEU HB3 H 1 1.525 0.032 . . . . . . A 13 LEU HB3 . 31100 1
112 . 1 . 1 13 13 LEU HG H 1 1.549 0.006 . . . . . . A 13 LEU HG . 31100 1
113 . 1 . 1 13 13 LEU HD11 H 1 0.822 0.038 . . . . . . A 13 LEU HD11 . 31100 1
114 . 1 . 1 13 13 LEU HD12 H 1 0.822 0.038 . . . . . . A 13 LEU HD12 . 31100 1
115 . 1 . 1 13 13 LEU HD13 H 1 0.822 0.038 . . . . . . A 13 LEU HD13 . 31100 1
116 . 1 . 1 13 13 LEU HD21 H 1 0.822 0.038 . . . . . . A 13 LEU HD21 . 31100 1
117 . 1 . 1 13 13 LEU HD22 H 1 0.822 0.038 . . . . . . A 13 LEU HD22 . 31100 1
118 . 1 . 1 13 13 LEU HD23 H 1 0.822 0.038 . . . . . . A 13 LEU HD23 . 31100 1
119 . 1 . 1 13 13 LEU CA C 13 54.239 0.000 . . . . . . A 13 LEU CA . 31100 1
120 . 1 . 1 13 13 LEU CB C 13 42.129 0.000 . . . . . . A 13 LEU CB . 31100 1
121 . 1 . 1 13 13 LEU CG C 13 29.062 0.000 . . . . . . A 13 LEU CG . 31100 1
122 . 1 . 1 13 13 LEU CD1 C 13 24.191 0.928 . . . . . . A 13 LEU CD1 . 31100 1
stop_
save_