Content for NMR-STAR saveframe, "assigned_chemical_shifts_one"
save_assigned_chemical_shifts_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one
_Assigned_chem_shift_list.Entry_ID 4433
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 $sample_one . 4433 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 PRO HA H 1 4.469 . . 1 . . . . . . . . 4433 1
2 . 1 1 1 1 PRO HB2 H 1 2.503 . . 2 . . . . . . . . 4433 1
3 . 1 1 1 1 PRO HD2 H 1 3.434 . . 2 . . . . . . . . 4433 1
4 . 1 1 1 1 PRO HG2 H 1 2.13 . . 2 . . . . . . . . 4433 1
5 . 1 1 2 2 ALA HA H 1 4.378 . . 1 . . . . . . . . 4433 1
6 . 1 1 2 2 ALA HB1 H 1 1.446 . . 1 . . . . . . . . 4433 1
7 . 1 1 2 2 ALA HB2 H 1 1.446 . . 1 . . . . . . . . 4433 1
8 . 1 1 2 2 ALA HB3 H 1 1.446 . . 1 . . . . . . . . 4433 1
9 . 1 1 2 2 ALA H H 1 8.589 . . 1 . . . . . . . . 4433 1
10 . 1 1 3 3 ARG HA H 1 4.291 . . 1 . . . . . . . . 4433 1
11 . 1 1 3 3 ARG HB2 H 1 1.718 . . 1 . . . . . . . . 4433 1
12 . 1 1 3 3 ARG HB3 H 1 1.892 . . 1 . . . . . . . . 4433 1
13 . 1 1 3 3 ARG HD2 H 1 3.197 . . 2 . . . . . . . . 4433 1
14 . 1 1 3 3 ARG HE H 1 7.111 . . 1 . . . . . . . . 4433 1
15 . 1 1 3 3 ARG HG2 H 1 1.657 . . 1 . . . . . . . . 4433 1
16 . 1 1 3 3 ARG H H 1 8.174 . . 1 . . . . . . . . 4433 1
17 . 1 1 4 4 VAL HA H 1 4.008 . . 1 . . . . . . . . 4433 1
18 . 1 1 4 4 VAL HB H 1 2.165 . . 1 . . . . . . . . 4433 1
19 . 1 1 4 4 VAL HG11 H 1 0.948 . . 2 . . . . . . . . 4433 1
20 . 1 1 4 4 VAL HG12 H 1 0.948 . . 2 . . . . . . . . 4433 1
21 . 1 1 4 4 VAL HG13 H 1 0.948 . . 2 . . . . . . . . 4433 1
22 . 1 1 4 4 VAL HG21 H 1 0.977 . . 2 . . . . . . . . 4433 1
23 . 1 1 4 4 VAL HG22 H 1 0.977 . . 2 . . . . . . . . 4433 1
24 . 1 1 4 4 VAL HG23 H 1 0.977 . . 2 . . . . . . . . 4433 1
25 . 1 1 4 4 VAL H H 1 7.735 . . 1 . . . . . . . . 4433 1
26 . 1 1 5 5 GLY HA2 H 1 3.895 . . 2 . . . . . . . . 4433 1
27 . 1 1 5 5 GLY HA3 H 1 4.021 . . 2 . . . . . . . . 4433 1
28 . 1 1 5 5 GLY H H 1 8.151 . . 1 . . . . . . . . 4433 1
29 . 1 1 6 6 LEU HA H 1 4.26 . . 1 . . . . . . . . 4433 1
30 . 1 1 6 6 LEU HB2 H 1 1.715 . . 2 . . . . . . . . 4433 1
31 . 1 1 6 6 LEU HD11 H 1 0.941 . . 2 . . . . . . . . 4433 1
32 . 1 1 6 6 LEU HD12 H 1 0.941 . . 2 . . . . . . . . 4433 1
33 . 1 1 6 6 LEU HD13 H 1 0.941 . . 2 . . . . . . . . 4433 1
34 . 1 1 6 6 LEU HD21 H 1 0.897 . . 2 . . . . . . . . 4433 1
35 . 1 1 6 6 LEU HD22 H 1 0.897 . . 2 . . . . . . . . 4433 1
36 . 1 1 6 6 LEU HD23 H 1 0.897 . . 2 . . . . . . . . 4433 1
37 . 1 1 6 6 LEU HG H 1 1.637 . . 1 . . . . . . . . 4433 1
38 . 1 1 6 6 LEU H H 1 7.883 . . 1 . . . . . . . . 4433 1
39 . 1 1 7 7 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 4433 1
40 . 1 1 7 7 GLY H H 1 8.357 . . 1 . . . . . . . . 4433 1
41 . 1 1 8 8 ILE HA H 1 3.818 . . 1 . . . . . . . . 4433 1
42 . 1 1 8 8 ILE HB H 1 1.957 . . 1 . . . . . . . . 4433 1
43 . 1 1 8 8 ILE HD11 H 1 0.942 . . 1 . . . . . . . . 4433 1
44 . 1 1 8 8 ILE HD12 H 1 0.942 . . 1 . . . . . . . . 4433 1
45 . 1 1 8 8 ILE HD13 H 1 0.942 . . 1 . . . . . . . . 4433 1
46 . 1 1 8 8 ILE HG12 H 1 1.672 . . 1 . . . . . . . . 4433 1
47 . 1 1 8 8 ILE HG13 H 1 1.672 . . 1 . . . . . . . . 4433 1
48 . 1 1 8 8 ILE HG21 H 1 1.206 . . 1 . . . . . . . . 4433 1
49 . 1 1 8 8 ILE HG22 H 1 1.206 . . 1 . . . . . . . . 4433 1
50 . 1 1 8 8 ILE HG23 H 1 1.206 . . 1 . . . . . . . . 4433 1
51 . 1 1 8 8 ILE H H 1 8.230 . . 1 . . . . . . . . 4433 1
52 . 1 1 9 9 THR HA H 1 3.947 . . 1 . . . . . . . . 4433 1
53 . 1 1 9 9 THR HB H 1 4.281 . . 1 . . . . . . . . 4433 1
54 . 1 1 9 9 THR HG21 H 1 1.281 . . 1 . . . . . . . . 4433 1
55 . 1 1 9 9 THR HG22 H 1 1.281 . . 1 . . . . . . . . 4433 1
56 . 1 1 9 9 THR HG23 H 1 1.281 . . 1 . . . . . . . . 4433 1
57 . 1 1 9 9 THR H H 1 8.150 . . 1 . . . . . . . . 4433 1
58 . 1 1 10 10 THR HA H 1 4.017 . . 1 . . . . . . . . 4433 1
59 . 1 1 10 10 THR HB H 1 4.363 . . 1 . . . . . . . . 4433 1
60 . 1 1 10 10 THR HG21 H 1 1.25 . . 1 . . . . . . . . 4433 1
61 . 1 1 10 10 THR HG22 H 1 1.25 . . 1 . . . . . . . . 4433 1
62 . 1 1 10 10 THR HG23 H 1 1.25 . . 1 . . . . . . . . 4433 1
63 . 1 1 10 10 THR H H 1 7.941 . . 1 . . . . . . . . 4433 1
64 . 1 1 11 11 VAL HA H 1 3.761 . . 1 . . . . . . . . 4433 1
65 . 1 1 11 11 VAL HB H 1 2.23 . . 1 . . . . . . . . 4433 1
66 . 1 1 11 11 VAL HG11 H 1 1.055 . . 2 . . . . . . . . 4433 1
67 . 1 1 11 11 VAL HG12 H 1 1.055 . . 2 . . . . . . . . 4433 1
68 . 1 1 11 11 VAL HG13 H 1 1.055 . . 2 . . . . . . . . 4433 1
69 . 1 1 11 11 VAL HG21 H 1 0.946 . . 2 . . . . . . . . 4433 1
70 . 1 1 11 11 VAL HG22 H 1 0.946 . . 2 . . . . . . . . 4433 1
71 . 1 1 11 11 VAL HG23 H 1 0.946 . . 2 . . . . . . . . 4433 1
72 . 1 1 11 11 VAL H H 1 7.893 . . 1 . . . . . . . . 4433 1
73 . 1 1 12 12 LEU HA H 1 4.202 . . 1 . . . . . . . . 4433 1
74 . 1 1 12 12 LEU HB2 H 1 1.835 . . 2 . . . . . . . . 4433 1
75 . 1 1 12 12 LEU HD11 H 1 0.95 . . 2 . . . . . . . . 4433 1
76 . 1 1 12 12 LEU HD12 H 1 0.95 . . 2 . . . . . . . . 4433 1
77 . 1 1 12 12 LEU HD13 H 1 0.95 . . 2 . . . . . . . . 4433 1
78 . 1 1 12 12 LEU HD21 H 1 0.86 . . 2 . . . . . . . . 4433 1
79 . 1 1 12 12 LEU HD22 H 1 0.86 . . 2 . . . . . . . . 4433 1
80 . 1 1 12 12 LEU HD23 H 1 0.86 . . 2 . . . . . . . . 4433 1
81 . 1 1 12 12 LEU HG H 1 1.586 . . 1 . . . . . . . . 4433 1
82 . 1 1 12 12 LEU H H 1 8.281 . . 1 . . . . . . . . 4433 1
83 . 1 1 13 13 THR HA H 1 4.126 . . 1 . . . . . . . . 4433 1
84 . 1 1 13 13 THR HB H 1 4.368 . . 1 . . . . . . . . 4433 1
85 . 1 1 13 13 THR HG21 H 1 1.273 . . 1 . . . . . . . . 4433 1
86 . 1 1 13 13 THR HG22 H 1 1.273 . . 1 . . . . . . . . 4433 1
87 . 1 1 13 13 THR HG23 H 1 1.273 . . 1 . . . . . . . . 4433 1
88 . 1 1 13 13 THR H H 1 8.084 . . 1 . . . . . . . . 4433 1
89 . 1 1 14 14 MET HA H 1 4.378 . . 1 . . . . . . . . 4433 1
90 . 1 1 14 14 MET HB2 H 1 2.183 . . 1 . . . . . . . . 4433 1
91 . 1 1 14 14 MET HB3 H 1 2.279 . . 1 . . . . . . . . 4433 1
92 . 1 1 14 14 MET HG2 H 1 2.634 . . 1 . . . . . . . . 4433 1
93 . 1 1 14 14 MET HG3 H 1 2.748 . . 1 . . . . . . . . 4433 1
94 . 1 1 14 14 MET H H 1 8.01 . . 1 . . . . . . . . 4433 1
95 . 1 1 15 15 THR HA H 1 4.217 . . 1 . . . . . . . . 4433 1
96 . 1 1 15 15 THR HB H 1 4.315 . . 1 . . . . . . . . 4433 1
97 . 1 1 15 15 THR HG21 H 1 1.296 . . 1 . . . . . . . . 4433 1
98 . 1 1 15 15 THR HG22 H 1 1.296 . . 1 . . . . . . . . 4433 1
99 . 1 1 15 15 THR HG23 H 1 1.296 . . 1 . . . . . . . . 4433 1
100 . 1 1 15 15 THR H H 1 8.069 . . 1 . . . . . . . . 4433 1
101 . 1 1 16 16 THR HA H 1 4.214 . . 1 . . . . . . . . 4433 1
102 . 1 1 16 16 THR HB H 1 4.349 . . 1 . . . . . . . . 4433 1
103 . 1 1 16 16 THR HG21 H 1 1.297 . . 1 . . . . . . . . 4433 1
104 . 1 1 16 16 THR HG22 H 1 1.297 . . 1 . . . . . . . . 4433 1
105 . 1 1 16 16 THR HG23 H 1 1.297 . . 1 . . . . . . . . 4433 1
106 . 1 1 16 16 THR H H 1 7.841 . . 1 . . . . . . . . 4433 1
107 . 1 1 17 17 GLN HA H 1 4.229 . . 1 . . . . . . . . 4433 1
108 . 1 1 17 17 GLN HB2 H 1 2.025 . . 1 . . . . . . . . 4433 1
109 . 1 1 17 17 GLN HE21 H 1 6.754 . . 1 . . . . . . . . 4433 1
110 . 1 1 17 17 GLN HE22 H 1 7.302 . . 1 . . . . . . . . 4433 1
111 . 1 1 17 17 GLN HG2 H 1 2.231 . . 1 . . . . . . . . 4433 1
112 . 1 1 17 17 GLN H H 1 7.959 . . 1 . . . . . . . . 4433 1
113 . 1 1 18 18 TYR HA H 1 4.492 . . 1 . . . . . . . . 4433 1
114 . 1 1 18 18 TYR HB2 H 1 2.958 . . 1 . . . . . . . . 4433 1
115 . 1 1 18 18 TYR HB3 H 1 3.064 . . 1 . . . . . . . . 4433 1
116 . 1 1 18 18 TYR HD1 H 1 7.112 . . 3 . . . . . . . . 4433 1
117 . 1 1 18 18 TYR HD2 H 1 7.126 . . 3 . . . . . . . . 4433 1
118 . 1 1 18 18 TYR HE1 H 1 6.774 . . 3 . . . . . . . . 4433 1
119 . 1 1 18 18 TYR HE2 H 1 6.781 . . 3 . . . . . . . . 4433 1
120 . 1 1 18 18 TYR H H 1 7.874 . . 1 . . . . . . . . 4433 1
121 . 1 1 19 19 SER HA H 1 4.325 . . 1 . . . . . . . . 4433 1
122 . 1 1 19 19 SER HB2 H 1 3.855 . . 1 . . . . . . . . 4433 1
123 . 1 1 19 19 SER HB3 H 1 3.924 . . 1 . . . . . . . . 4433 1
124 . 1 1 19 19 SER H H 1 8.088 . . 1 . . . . . . . . 4433 1
125 . 1 1 20 20 GLY HA2 H 1 3.957 . . 2 . . . . . . . . 4433 1
126 . 1 1 20 20 GLY H H 1 7.563 . . 1 . . . . . . . . 4433 1
127 . 1 1 21 21 SER HA H 1 4.444 . . 1 . . . . . . . . 4433 1
128 . 1 1 21 21 SER HB2 H 1 3.891 . . 1 . . . . . . . . 4433 1
129 . 1 1 21 21 SER HB3 H 1 3.959 . . 1 . . . . . . . . 4433 1
130 . 1 1 21 21 SER H H 1 7.986 . . 1 . . . . . . . . 4433 1
131 . 1 1 22 22 ARG HA H 1 4.339 . . 1 . . . . . . . . 4433 1
132 . 1 1 22 22 ARG HB2 H 1 1.77 . . 1 . . . . . . . . 4433 1
133 . 1 1 22 22 ARG HB3 H 1 1.911 . . 1 . . . . . . . . 4433 1
134 . 1 1 22 22 ARG HD2 H 1 3.161 . . 2 . . . . . . . . 4433 1
135 . 1 1 22 22 ARG HE H 1 7.075 . . 1 . . . . . . . . 4433 1
136 . 1 1 22 22 ARG HG2 H 1 1.665 . . 2 . . . . . . . . 4433 1
137 . 1 1 22 22 ARG H H 1 8.009 . . 1 . . . . . . . . 4433 1
138 . 1 1 23 23 ALA HA H 1 4.207 . . 1 . . . . . . . . 4433 1
139 . 1 1 23 23 ALA HB1 H 1 1.367 . . 1 . . . . . . . . 4433 1
140 . 1 1 23 23 ALA HB2 H 1 1.367 . . 1 . . . . . . . . 4433 1
141 . 1 1 23 23 ALA HB3 H 1 1.367 . . 1 . . . . . . . . 4433 1
142 . 1 1 23 23 ALA H H 1 7.858 . . 1 . . . . . . . . 4433 1
stop_
save_