Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 20084
_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_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 COSY' . . . 20084 1
3 '2D 1H-1H WROESY' . . . 20084 1
5 '2D 1H-13C HSQC' . . . 20084 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 $SPARKY . . 20084 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 4.319 0.005 . 4 . . . . 1 PRO HA . 20084 1
2 . 1 1 1 1 PRO HB2 H 1 2.018 0.003 . 1 . . . . 1 PRO HB1 . 20084 1
3 . 1 1 1 1 PRO HB3 H 1 2.431 0.003 . 1 . . . . 1 PRO HB2 . 20084 1
4 . 1 1 1 1 PRO HD2 H 1 3.368 0.001 . 1 . . . . 1 PRO HD1 . 20084 1
5 . 1 1 1 1 PRO HD3 H 1 3.408 0.000 . 1 . . . . 1 PRO HD2 . 20084 1
6 . 1 1 1 1 PRO HG2 H 1 2.023 0.003 . 1 . . . . 1 PRO HG1 . 20084 1
7 . 1 1 1 1 PRO HG3 H 1 2.023 0.003 . 1 . . . . 1 PRO HG2 . 20084 1
8 . 1 1 1 1 PRO CA C 13 62.422 0.000 . 1 . . . . 1 PRO CA . 20084 1
9 . 1 1 1 1 PRO CB C 13 32.568 0.000 . 1 . . . . 1 PRO CB . 20084 1
10 . 1 1 1 1 PRO CD C 13 49.482 0.000 . 1 . . . . 1 PRO CD . 20084 1
11 . 1 1 1 1 PRO CG C 13 26.537 0.000 . 1 . . . . 1 PRO CG . 20084 1
12 . 1 1 2 2 PHE H H 1 8.725 0.002 . 1 . . . . 2 PHE H . 20084 1
13 . 1 1 2 2 PHE HA H 1 4.678 0.004 . 1 . . . . 2 PHE HA . 20084 1
14 . 1 1 2 2 PHE HB2 H 1 3.044 0.003 . 1 . . . . 2 PHE HB1 . 20084 1
15 . 1 1 2 2 PHE HB3 H 1 3.118 0.004 . 1 . . . . 2 PHE HB2 . 20084 1
16 . 1 1 2 2 PHE HD1 H 1 7.258 0.003 . 3 . . . . 2 PHE HD1 . 20084 1
17 . 1 1 2 2 PHE HD2 H 1 7.258 0.003 . 3 . . . . 2 PHE HD2 . 20084 1
18 . 1 1 2 2 PHE HZ H 1 7.303 0.000 . 5 . . . . 2 PHE HZ . 20084 1
19 . 1 1 2 2 PHE CA C 13 57.945 0.000 . 1 . . . . 2 PHE CA . 20084 1
20 . 1 1 2 2 PHE CB C 13 39.727 0.000 . 1 . . . . 2 PHE CB . 20084 1
21 . 1 1 2 2 PHE CD1 C 13 132.022 0.000 . 5 . . . . 2 PHE CD . 20084 1
22 . 1 1 2 2 PHE CD2 C 13 132.022 0.000 . 5 . . . . 2 PHE CD . 20084 1
23 . 1 1 2 2 PHE CE1 C 13 131.533 0.000 . 5 . . . . 2 PHE CE . 20084 1
24 . 1 1 2 2 PHE CE2 C 13 131.533 0.000 . 5 . . . . 2 PHE CE . 20084 1
25 . 1 1 2 2 PHE CZ C 13 130.002 0.000 . 5 . . . . 2 PHE CZ . 20084 1
26 . 1 1 3 3 ALA H H 1 8.489 0.001 . 1 . . . . 3 ALA H . 20084 1
27 . 1 1 3 3 ALA HA H 1 4.279 0.005 . 4 . . . . 3 ALA HA . 20084 1
28 . 1 1 3 3 ALA HB1 H 1 1.331 0.003 . 4 . . . . 3 ALA HB . 20084 1
29 . 1 1 3 3 ALA HB2 H 1 1.331 0.003 . 4 . . . . 3 ALA HB . 20084 1
30 . 1 1 3 3 ALA HB3 H 1 1.331 0.003 . 4 . . . . 3 ALA HB . 20084 1
31 . 1 1 3 3 ALA CA C 13 52.733 0.000 . 1 . . . . 3 ALA CA . 20084 1
32 . 1 1 3 3 ALA CB C 13 18.91 0.000 . 1 . . . . 3 ALA CB . 20084 1
33 . 1 1 4 4 ASP H H 1 8.275 0.002 . 1 . . . . 4 ASP H . 20084 1
34 . 1 1 4 4 ASP HA H 1 4.739 0.004 . 1 . . . . 4 ASP HA . 20084 1
35 . 1 1 4 4 ASP HB2 H 1 2.693 0.004 . 4 . . . . 4 ASP HB1 . 20084 1
36 . 1 1 4 4 ASP HB3 H 1 2.435 0.003 . 1 . . . . 4 ASP HB2 . 20084 1
37 . 1 1 4 4 ASP CA C 13 57.57 0.000 . 1 . . . . 4 ASP CA . 20084 1
38 . 1 1 4 4 ASP CB C 13 40.022 0.000 . 1 . . . . 4 ASP CB . 20084 1
39 . 1 1 5 5 SER H H 1 8.056 0.001 . 1 . . . . 5 SER H . 20084 1
40 . 1 1 5 5 SER HA H 1 4.1 0.003 . 4 . . . . 5 SER HA . 20084 1
41 . 1 1 5 5 SER HB2 H 1 3.843 0.004 . 1 . . . . 5 SER HB1 . 20084 1
42 . 1 1 5 5 SER HB3 H 1 3.913 0.005 . 1 . . . . 5 SER HB2 . 20084 1
43 . 1 1 5 5 SER CA C 13 62.148 0.000 . 1 . . . . 5 SER CA . 20084 1
44 . 1 1 5 5 SER CB C 13 63.031 0.000 . 1 . . . . 5 SER CB . 20084 1
45 . 1 1 6 6 ILE H H 1 7.869 0.004 . 4 . . . . 6 ILE H . 20084 1
46 . 1 1 6 6 ILE HA H 1 4.101 0.002 . 4 . . . . 6 ILE HA . 20084 1
47 . 1 1 6 6 ILE HB H 1 2.034 0.005 . 1 . . . . 6 ILE HB . 20084 1
48 . 1 1 6 6 ILE HD11 H 1 0.997 0.003 . 1 . . . . 6 ILE HD . 20084 1
49 . 1 1 6 6 ILE HD12 H 1 0.997 0.003 . 1 . . . . 6 ILE HD . 20084 1
50 . 1 1 6 6 ILE HD13 H 1 0.997 0.003 . 1 . . . . 6 ILE HD . 20084 1
51 . 1 1 6 6 ILE HG12 H 1 1.028 0.002 . 1 . . . . 6 ILE HG1 . 20084 1
52 . 1 1 6 6 ILE HG13 H 1 1.028 0.002 . 1 . . . . 6 ILE HG1 . 20084 1
53 . 1 1 6 6 ILE HG21 H 1 1.53 0.004 . 1 . . . . 6 ILE HG21 . 20084 1
54 . 1 1 6 6 ILE HG22 H 1 1.53 0.004 . 1 . . . . 6 ILE HG22 . 20084 1
55 . 1 1 6 6 ILE HG23 H 1 1.53 0.004 . 1 . . . . 6 ILE HG22 . 20084 1
56 . 1 1 6 6 ILE CA C 13 60.584 0.000 . 1 . . . . 6 ILE CA . 20084 1
57 . 1 1 6 6 ILE CB C 13 38.149 0.000 . 1 . . . . 6 ILE CB . 20084 1
58 . 1 1 6 6 ILE CD1 C 13 13.929 0.000 . 1 . . . . 6 ILE CD . 20084 1
59 . 1 1 6 6 ILE CG1 C 13 18.123 0.000 . 1 . . . . 6 ILE CG1 . 20084 1
60 . 1 1 6 6 ILE CG2 C 13 28.095 0.000 . 1 . . . . 6 ILE CG2 . 20084 1
61 . 1 1 7 7 ASP H H 1 7.351 0.001 . 1 . . . . 7 ASP H . 20084 1
62 . 1 1 7 7 ASP HA H 1 4.327 0.003 . 4 . . . . 7 ASP HA . 20084 1
63 . 1 1 7 7 ASP HB2 H 1 2.691 0.000 . 4 . . . . 7 ASP HB1 . 20084 1
64 . 1 1 7 7 ASP HB3 H 1 2.739 0.008 . 4 . . . . 7 ASP HB2 . 20084 1
65 . 1 1 7 7 ASP CA C 13 54.567 0.000 . 1 . . . . 7 ASP CA . 20084 1
66 . 1 1 7 7 ASP CB C 13 39.472 0.000 . 1 . . . . 7 ASP CB . 20084 1
67 . 1 1 8 8 GLY H H 1 7.973 0.002 . 1 . . . . 8 GLY H . 20084 1
68 . 1 1 8 8 GLY HA2 H 1 3.864 0.002 . 1 . . . . 8 GLY HA1 . 20084 1
69 . 1 1 8 8 GLY HA3 H 1 3.953 0.005 . 1 . . . . 8 GLY HA2 . 20084 1
70 . 1 1 8 8 GLY CA C 13 45.547 0.000 . 1 . . . . 8 GLY CA . 20084 1
71 . 1 1 9 9 ARG H H 1 7.883 0.002 . 4 . . . . 9 ARG H . 20084 1
72 . 1 1 9 9 ARG HA H 1 4.278 0.004 . 4 . . . . 9 ARG HA . 20084 1
73 . 1 1 9 9 ARG HB2 H 1 1.746 0.007 . 2 . . . . 9 ARG HB1 . 20084 1
74 . 1 1 9 9 ARG HB3 H 1 1.803 0.004 . 2 . . . . 9 ARG HB2 . 20084 1
75 . 1 1 9 9 ARG HD2 H 1 3.158 0.003 . 1 . . . . 9 ARG HD . 20084 1
76 . 1 1 9 9 ARG HD3 H 1 3.158 0.003 . 1 . . . . 9 ARG HD . 20084 1
77 . 1 1 9 9 ARG HG2 H 1 1.574 0.007 . 1 . . . . 9 ARG HG1 . 20084 1
78 . 1 1 9 9 ARG HG3 H 1 1.574 0.007 . 1 . . . . 9 ARG HG2 . 20084 1
79 . 1 1 9 9 ARG HH11 H 1 7.022 0.004 . 1 . . . . 9 ARG HH1 . 20084 1
80 . 1 1 9 9 ARG HH12 H 1 7.022 0.004 . 1 . . . . 9 ARG HH1 . 20084 1
81 . 1 1 9 9 ARG HH21 H 1 6.975 0.004 . 1 . . . . 9 ARG HH2 . 20084 1
82 . 1 1 9 9 ARG HH22 H 1 6.975 0.004 . 1 . . . . 9 ARG HH2 . 20084 1
83 . 1 1 9 9 ARG CA C 13 56.257 0.000 . 1 . . . . 9 ARG CA . 20084 1
84 . 1 1 9 9 ARG CB C 13 30.797 0.000 . 1 . . . . 9 ARG CB . 20084 1
85 . 1 1 9 9 ARG CD C 13 43.512 0.000 . 1 . . . . 9 ARG CD . 20084 1
86 . 1 1 9 9 ARG CG C 13 27.055 0.000 . 1 . . . . 9 ARG CG . 20084 1
87 . 1 1 10 10 LYS H H 1 8.213 0.002 . 4 . . . . 10 LYS H . 20084 1
88 . 1 1 10 10 LYS HA H 1 4.243 0.003 . 4 . . . . 10 LYS HA . 20084 1
89 . 1 1 10 10 LYS HB2 H 1 1.666 0.002 . 1 . . . . 10 LYS HB . 20084 1
90 . 1 1 10 10 LYS HB3 H 1 1.666 0.002 . 1 . . . . 10 LYS HB . 20084 1
91 . 1 1 10 10 LYS HD2 H 1 1.619 0.002 . 1 . . . . 10 LYS HD . 20084 1
92 . 1 1 10 10 LYS HD3 H 1 1.619 0.002 . 1 . . . . 10 LYS HD . 20084 1
93 . 1 1 10 10 LYS HE2 H 1 2.95 0.010 . 1 . . . . 10 LYS HE . 20084 1
94 . 1 1 10 10 LYS HE3 H 1 2.95 0.010 . 1 . . . . 10 LYS HE . 20084 1
95 . 1 1 10 10 LYS HG2 H 1 1.265 0.007 . 1 . . . . 10 LYS HG1 . 20084 1
96 . 1 1 10 10 LYS HG3 H 1 1.332 0.006 . 4 . . . . 10 LYS HG2 . 20084 1
97 . 1 1 10 10 LYS HZ1 H 1 7.507 0.004 . 1 . . . . 10 LYS HZ . 20084 1
98 . 1 1 10 10 LYS HZ2 H 1 7.507 0.004 . 1 . . . . 10 LYS HZ . 20084 1
99 . 1 1 10 10 LYS HZ3 H 1 7.507 0.004 . 1 . . . . 10 LYS HZ . 20084 1
100 . 1 1 10 10 LYS CA C 13 56.457 0.000 . 1 . . . . 10 LYS CA . 20084 1
101 . 1 1 10 10 LYS CB C 13 33.098 0.000 . 1 . . . . 10 LYS CB . 20084 1
102 . 1 1 10 10 LYS CD C 13 29.089 0.000 . 1 . . . . 10 LYS CD . 20084 1
103 . 1 1 10 10 LYS CE C 13 42.221 0.000 . 1 . . . . 10 LYS CE . 20084 1
104 . 1 1 10 10 LYS CG C 13 24.724 0.000 . 1 . . . . 10 LYS CG . 20084 1
105 . 1 1 11 11 PHE H H 1 8.239 0.004 . 1 . . . . 11 PHE H . 20084 1
106 . 1 1 11 11 PHE HA H 1 4.612 0.003 . 1 . . . . 11 PHE HA . 20084 1
107 . 1 1 11 11 PHE HB2 H 1 3.014 0.002 . 1 . . . . 11 PHE HB1 . 20084 1
108 . 1 1 11 11 PHE HB3 H 1 3.15 0.007 . 1 . . . . 11 PHE HB2 . 20084 1
109 . 1 1 11 11 PHE HD1 H 1 7.263 0.001 . 3 . . . . 11 PHE HD1 . 20084 1
110 . 1 1 11 11 PHE HD2 H 1 7.263 0.001 . 3 . . . . 11 PHE HD2 . 20084 1
111 . 1 1 11 11 PHE HE1 H 1 7.309 0.001 . 3 . . . . 11 PHE HE1 . 20084 1
112 . 1 1 11 11 PHE HE2 H 1 7.309 0.001 . 3 . . . . 11 PHE HE2 . 20084 1
113 . 1 1 11 11 PHE HZ H 1 7.303 0.000 . 5 . . . . 11 PHE HZ . 20084 1
114 . 1 1 11 11 PHE CA C 13 57.654 0.000 . 1 . . . . 11 PHE CA . 20084 1
115 . 1 1 11 11 PHE CD1 C 13 132.022 0.000 . 5 . . . . 11 PHE CD . 20084 1
116 . 1 1 11 11 PHE CD2 C 13 132.022 0.000 . 5 . . . . 11 PHE CD . 20084 1
117 . 1 1 11 11 PHE CE1 C 13 131.533 0.000 . 5 . . . . 11 PHE CE . 20084 1
118 . 1 1 11 11 PHE CE2 C 13 131.533 0.000 . 5 . . . . 11 PHE CE . 20084 1
119 . 1 1 11 11 PHE CZ C 13 130.002 0.000 . 5 . . . . 11 PHE CZ . 20084 1
120 . 1 1 12 12 ALA H H 1 8.209 0.004 . 4 . . . . 12 ALA H . 20084 1
121 . 1 1 12 12 ALA HA H 1 4.253 0.000 . 4 . . . . 12 ALA HA . 20084 1
122 . 1 1 12 12 ALA HB1 H 1 1.34 0.002 . 4 . . . . 12 ALA HB . 20084 1
123 . 1 1 12 12 ALA HB2 H 1 1.34 0.002 . 4 . . . . 12 ALA HB . 20084 1
124 . 1 1 12 12 ALA HB3 H 1 1.34 0.002 . 4 . . . . 12 ALA HB . 20084 1
125 . 1 1 12 12 ALA CA C 13 52.338 0.000 . 1 . . . . 12 ALA CA . 20084 1
126 . 1 1 12 12 ALA CB C 13 19.568 0.000 . 1 . . . . 12 ALA CB . 20084 1
127 . 4 3 1 1 ACT CH3 C 13 25.566 0.000 . 1 . . . . . DRA C1 . 20084 1
128 . 5 3 1 1 ACT CH3 C 13 25.566 0.000 . 1 . . . . . DRA C2 . 20084 1
129 . 4 3 1 1 ACT H1 H 1 1.881 0.000 . 1 . . . . . DRA H1 . 20084 1
130 . 4 3 1 1 ACT H2 H 1 1.881 0.000 . 1 . . . . . DRA H1 . 20084 1
131 . 4 3 1 1 ACT H3 H 1 1.881 0.000 . 1 . . . . . DRA H1 . 20084 1
132 . 5 3 1 1 ACT H1 H 1 1.888 0.000 . 1 . . . . . DRA H2 . 20084 1
133 . 5 3 1 1 ACT H2 H 1 1.888 0.000 . 1 . . . . . DRA H2 . 20084 1
134 . 5 3 1 1 ACT H3 H 1 1.888 0.000 . 1 . . . . . DRA H2 . 20084 1
stop_
loop_
_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 1 20084 1
2 21 20084 1
2 22 20084 1
2 115 20084 1
2 116 20084 1
3 23 20084 1
3 24 20084 1
3 117 20084 1
3 118 20084 1
4 27 20084 1
4 121 20084 1
5 28 20084 1
5 29 20084 1
5 30 20084 1
5 122 20084 1
5 123 20084 1
5 124 20084 1
6 35 20084 1
6 63 20084 1
6 64 20084 1
7 40 20084 1
8 45 20084 1
9 46 20084 1
10 53 20084 1
11 62 20084 1
12 71 20084 1
13 72 20084 1
14 87 20084 1
15 88 20084 1
16 96 20084 1
17 120 20084 1
18 18 20084 1
18 113 20084 1
19 25 20084 1
19 119 20084 1
stop_
save_