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 20089
_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 'NMR structure has been calculated by using PHE at the fourth position as opposed to PFF due to the absence of this residue in X-PLOR"'
_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' . . . 20089 1
2 '2D 1H-1H TOCSY' . . . 20089 1
3 '2D DQF-COSY' . . . 20089 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 PHE HA H 1 4.21 0.025 . 1 . . . . 1 PHE HA . 20089 1
2 . 1 1 1 1 PHE HB2 H 1 3.11 0.0035 . 2 . . . . 1 PHE HB2 . 20089 1
3 . 1 1 1 1 PHE HB3 H 1 3.14 0.0035 . 2 . . . . 1 PHE HB3 . 20089 1
4 . 1 1 1 1 PHE HD1 H 1 7.21 0.0035 . 1 . . . . 1 PHE HD1 . 20089 1
5 . 1 1 1 1 PHE HD2 H 1 7.21 0.0035 . 1 . . . . 1 PHE HD2 . 20089 1
6 . 1 1 1 1 PHE HE1 H 1 7.31 0.0035 . 1 . . . . 1 PHE HE1 . 20089 1
7 . 1 1 1 1 PHE HE2 H 1 7.31 0.0035 . 1 . . . . 1 PHE HE2 . 20089 1
8 . 1 1 1 1 PHE HZ H 1 7.25 0.0035 . 1 . . . . 1 PHE HZ . 20089 1
9 . 1 1 2 2 GLY H H 1 8.60 0.0035 . 1 . . . . 2 GLY H . 20089 1
10 . 1 1 2 2 GLY HA2 H 1 3.83 0.025 . 1 . . . . 2 GLY HA2 . 20089 1
11 . 1 1 2 2 GLY HA3 H 1 3.83 0.025 . 1 . . . . 2 GLY HA3 . 20089 1
12 . 1 1 3 3 GLY H H 1 7.95 0.0035 . 1 . . . . 3 GLY H . 20089 1
13 . 1 1 3 3 GLY HA2 H 1 3.80 0.025 . 1 . . . . 3 GLY HA2 . 20089 1
14 . 1 1 3 3 GLY HA3 H 1 3.80 0.025 . 1 . . . . 3 GLY HA3 . 20089 1
15 . 1 1 4 4 PFF H H 1 8.33 0.0035 . 1 . . . . 4 PFF H . 20089 1
16 . 1 1 4 4 PFF HA H 1 4.59 0.025 . 1 . . . . 4 PFF HA . 20089 1
17 . 1 1 4 4 PFF HB2 H 1 2.96 0.0035 . 2 . . . . 4 PFF HB2 . 20089 1
18 . 1 1 4 4 PFF HB3 H 1 3.02 0.0035 . 2 . . . . 4 PFF HB3 . 20089 1
19 . 1 1 4 4 PFF HD1 H 1 7.16 0.0035 . 1 . . . . 4 PFF HD1 . 20089 1
20 . 1 1 4 4 PFF HD2 H 1 7.16 0.0035 . 1 . . . . 4 PFF HD2 . 20089 1
21 . 1 1 4 4 PFF HE1 H 1 6.98 0.0035 . 1 . . . . 4 PFF HE1 . 20089 1
22 . 1 1 4 4 PFF HE2 H 1 6.98 0.0035 . 1 . . . . 4 PFF HE2 . 20089 1
23 . 1 1 5 5 THR H H 1 8.19 0.0035 . 1 . . . . 5 THR H . 20089 1
24 . 1 1 5 5 THR HA H 1 4.16 0.025 . 1 . . . . 5 THR HA . 20089 1
25 . 1 1 5 5 THR HB H 1 4.12 0.025 . 1 . . . . 5 THR HB . 20089 1
26 . 1 1 5 5 THR HG21 H 1 1.11 0.0035 . 1 . . . . 5 THR MG . 20089 1
27 . 1 1 5 5 THR HG22 H 1 1.11 0.0035 . 1 . . . . 5 THR MG . 20089 1
28 . 1 1 5 5 THR HG23 H 1 1.11 0.0035 . 1 . . . . 5 THR MG . 20089 1
29 . 1 1 6 6 GLY H H 1 8.12 0.0035 . 1 . . . . 6 GLY H . 20089 1
30 . 1 1 6 6 GLY HA2 H 1 3.83 0.025 . 1 . . . . 6 GLY HA2 . 20089 1
31 . 1 1 6 6 GLY HA3 H 1 3.83 0.025 . 1 . . . . 6 GLY HA3 . 20089 1
32 . 1 1 7 7 LYS H H 1 8.08 0.0035 . 1 . . . . 7 LYS H . 20089 1
33 . 1 1 7 7 LYS HA H 1 4.12 0.025 . 1 . . . . 7 LYS HA . 20089 1
34 . 1 1 7 7 LYS HB2 H 1 1.74 0.025 . 1 . . . . 7 LYS HB2 . 20089 1
35 . 1 1 7 7 LYS HB3 H 1 1.74 0.025 . 1 . . . . 7 LYS HB3 . 20089 1
36 . 1 1 7 7 LYS HD2 H 1 1.39 0.025 . 2 . . . . 7 LYS HD2 . 20089 1
37 . 1 1 7 7 LYS HD3 H 1 1.47 0.025 . 2 . . . . 7 LYS HD3 . 20089 1
38 . 1 1 7 7 LYS HE2 H 1 2.68 0.025 . 2 . . . . 7 LYS HE2 . 20089 1
39 . 1 1 7 7 LYS HE3 H 1 3.45 0.025 . 2 . . . . 7 LYS HE3 . 20089 1
40 . 1 1 7 7 LYS HG2 H 1 1.19 0.025 . 1 . . . . 7 LYS HG2 . 20089 1
41 . 1 1 7 7 LYS HG3 H 1 1.19 0.025 . 1 . . . . 7 LYS HG3 . 20089 1
42 . 1 1 7 7 LYS HZ1 H 1 8.07 0.0035 . 1 . . . . 7 LYS QZ . 20089 1
43 . 1 1 7 7 LYS HZ2 H 1 8.07 0.0035 . 1 . . . . 7 LYS QZ . 20089 1
44 . 1 1 7 7 LYS HZ3 H 1 8.07 0.0035 . 1 . . . . 7 LYS QZ . 20089 1
45 . 1 1 8 8 ARG H H 1 8.40 0.0035 . 1 . . . . 8 ARG H . 20089 1
46 . 1 1 8 8 ARG HA H 1 4.02 0.025 . 1 . . . . 8 ARG HA . 20089 1
47 . 1 1 8 8 ARG HB2 H 1 1.74 0.025 . 1 . . . . 8 ARG HB2 . 20089 1
48 . 1 1 8 8 ARG HB3 H 1 1.74 0.025 . 1 . . . . 8 ARG HB3 . 20089 1
49 . 1 1 8 8 ARG HD2 H 1 3.08 0.025 . 1 . . . . 8 ARG HD2 . 20089 1
50 . 1 1 8 8 ARG HD3 H 1 3.08 0.025 . 1 . . . . 8 ARG HD3 . 20089 1
51 . 1 1 8 8 ARG HE H 1 7.12 0.0035 . 1 . . . . 8 ARG HE . 20089 1
52 . 1 1 8 8 ARG HG2 H 1 1.51 0.025 . 2 . . . . 8 ARG HG2 . 20089 1
53 . 1 1 8 8 ARG HG3 H 1 1.63 0.025 . 2 . . . . 8 ARG HG3 . 20089 1
54 . 1 1 9 9 LYS H H 1 7.76 0.0035 . 1 . . . . 9 LYS H . 20089 1
55 . 1 1 9 9 LYS HA H 1 4.07 0.025 . 1 . . . . 9 LYS HA . 20089 1
56 . 1 1 9 9 LYS HB2 H 1 1.76 0.025 . 1 . . . . 9 LYS HB2 . 20089 1
57 . 1 1 9 9 LYS HB3 H 1 1.76 0.025 . 1 . . . . 9 LYS HB3 . 20089 1
58 . 1 1 9 9 LYS HD2 H 1 1.61 0.025 . 2 . . . . 9 LYS HD2 . 20089 1
59 . 1 1 9 9 LYS HD3 H 1 1.66 0.025 . 2 . . . . 9 LYS HD3 . 20089 1
60 . 1 1 9 9 LYS HE2 H 1 2.89 0.025 . 1 . . . . 9 LYS HE2 . 20089 1
61 . 1 1 9 9 LYS HE3 H 1 2.89 0.025 . 1 . . . . 9 LYS HE3 . 20089 1
62 . 1 1 9 9 LYS HG2 H 1 1.28 0.025 . 2 . . . . 9 LYS HG2 . 20089 1
63 . 1 1 9 9 LYS HG3 H 1 1.34 0.025 . 2 . . . . 9 LYS HG3 . 20089 1
64 . 1 1 10 10 SER H H 1 8.23 0.0035 . 1 . . . . 10 SER H . 20089 1
65 . 1 1 10 10 SER HA H 1 4.12 0.025 . 1 . . . . 10 SER HA . 20089 1
66 . 1 1 10 10 SER HB2 H 1 3.80 0.025 . 1 . . . . 10 SER HB2 . 20089 1
67 . 1 1 10 10 SER HB3 H 1 3.80 0.025 . 1 . . . . 10 SER HB3 . 20089 1
68 . 1 1 11 11 ASP H H 1 8.64 0.0035 . 1 . . . . 11 ASP H . 20089 1
69 . 1 1 11 11 ASP HA H 1 4.65 0.025 . 1 . . . . 11 ASP HA . 20089 1
70 . 1 1 11 11 ASP HB2 H 1 2.62 0.025 . 2 . . . . 11 ASP HB2 . 20089 1
71 . 1 1 11 11 ASP HB3 H 1 2.76 0.025 . 2 . . . . 11 ASP HB3 . 20089 1
72 . 1 1 12 12 ARG H H 1 7.86 0.0035 . 1 . . . . 12 ARG H . 20089 1
73 . 1 1 12 12 ARG HA H 1 4.10 0.025 . 1 . . . . 12 ARG HA . 20089 1
74 . 1 1 12 12 ARG HB2 H 1 1.79 0.025 . 1 . . . . 12 ARG HB2 . 20089 1
75 . 1 1 12 12 ARG HB3 H 1 1.79 0.025 . 1 . . . . 12 ARG HB3 . 20089 1
76 . 1 1 12 12 ARG HD2 H 1 3.09 0.025 . 1 . . . . 12 ARG HD2 . 20089 1
77 . 1 1 12 12 ARG HD3 H 1 3.09 0.025 . 1 . . . . 12 ARG HD3 . 20089 1
78 . 1 1 12 12 ARG HE H 1 7.16 0.0035 . 1 . . . . 12 ARG HE . 20089 1
79 . 1 1 12 12 ARG HG2 H 1 1.59 0.025 . 1 . . . . 12 ARG HG2 . 20089 1
80 . 1 1 12 12 ARG HG3 H 1 1.59 0.025 . 1 . . . . 12 ARG HG3 . 20089 1
81 . 1 1 13 13 LYS H H 1 8.05 0.0035 . 1 . . . . 13 LYS H . 20089 1
82 . 1 1 13 13 LYS HA H 1 4.12 0.025 . 1 . . . . 13 LYS HA . 20089 1
83 . 1 1 13 13 LYS HB2 H 1 1.77 0.025 . 1 . . . . 13 LYS HB2 . 20089 1
84 . 1 1 13 13 LYS HB3 H 1 1.77 0.025 . 1 . . . . 13 LYS HB3 . 20089 1
85 . 1 1 13 13 LYS HD2 H 1 1.61 0.025 . 1 . . . . 13 LYS HD2 . 20089 1
86 . 1 1 13 13 LYS HD3 H 1 1.61 0.025 . 1 . . . . 13 LYS HD3 . 20089 1
87 . 1 1 13 13 LYS HE2 H 1 2.90 0.025 . 1 . . . . 13 LYS HE2 . 20089 1
88 . 1 1 13 13 LYS HE3 H 1 2.90 0.025 . 1 . . . . 13 LYS HE3 . 20089 1
89 . 1 1 13 13 LYS HG2 H 1 1.32 0.025 . 2 . . . . 13 LYS HG2 . 20089 1
90 . 1 1 13 13 LYS HG3 H 1 1.41 0.025 . 2 . . . . 13 LYS HG3 . 20089 1
91 . 1 1 14 14 LYS H H 1 8.04 0.0035 . 1 . . . . 14 LYS H . 20089 1
92 . 1 1 14 14 LYS HA H 1 4.15 0.025 . 1 . . . . 14 LYS HA . 20089 1
93 . 1 1 14 14 LYS HB2 H 1 1.82 0.025 . 1 . . . . 14 LYS HB2 . 20089 1
94 . 1 1 14 14 LYS HB3 H 1 1.82 0.025 . 1 . . . . 14 LYS HB3 . 20089 1
95 . 1 1 14 14 LYS HD2 H 1 1.75 0.025 . 1 . . . . 14 LYS HD2 . 20089 1
96 . 1 1 14 14 LYS HD3 H 1 1.75 0.025 . 1 . . . . 14 LYS HD3 . 20089 1
97 . 1 1 14 14 LYS HE2 H 1 2.69 0.025 . 2 . . . . 14 LYS HE2 . 20089 1
98 . 1 1 14 14 LYS HE3 H 1 3.44 0.025 . 2 . . . . 14 LYS HE3 . 20089 1
99 . 1 1 14 14 LYS HG2 H 1 1.24 0.025 . 2 . . . . 14 LYS HG2 . 20089 1
100 . 1 1 14 14 LYS HG3 H 1 1.41 0.025 . 2 . . . . 14 LYS HG3 . 20089 1
101 . 1 1 14 14 LYS HZ1 H 1 8.00 0.0035 . 1 . . . . 14 LYS QZ . 20089 1
102 . 1 1 14 14 LYS HZ2 H 1 8.00 0.0035 . 1 . . . . 14 LYS QZ . 20089 1
103 . 1 1 14 14 LYS HZ3 H 1 8.00 0.0035 . 1 . . . . 14 LYS QZ . 20089 1
104 . 1 1 15 15 LYS H H 1 8.22 0.0035 . 1 . . . . 15 LYS H . 20089 1
105 . 1 1 15 15 LYS HA H 1 4.01 0.025 . 1 . . . . 15 LYS HA . 20089 1
106 . 1 1 15 15 LYS HB2 H 1 1.77 0.025 . 1 . . . . 15 LYS HB2 . 20089 1
107 . 1 1 15 15 LYS HB3 H 1 1.77 0.025 . 1 . . . . 15 LYS HB3 . 20089 1
108 . 1 1 15 15 LYS HD2 H 1 1.60 0.025 . 1 . . . . 15 LYS HD2 . 20089 1
109 . 1 1 15 15 LYS HD3 H 1 1.60 0.025 . 1 . . . . 15 LYS HD3 . 20089 1
110 . 1 1 15 15 LYS HG2 H 1 1.37 0.025 . 1 . . . . 15 LYS HG2 . 20089 1
111 . 1 1 15 15 LYS HG3 H 1 1.37 0.025 . 1 . . . . 15 LYS HG3 . 20089 1
112 . 1 1 16 16 ASN H H 1 7.88 0.0035 . 1 . . . . 16 ASN H . 20089 1
113 . 1 1 16 16 ASN HA H 1 4.50 0.025 . 1 . . . . 16 ASN HA . 20089 1
114 . 1 1 16 16 ASN HB2 H 1 2.76 0.025 . 1 . . . . 16 ASN HB2 . 20089 1
115 . 1 1 16 16 ASN HB3 H 1 2.76 0.025 . 1 . . . . 16 ASN HB3 . 20089 1
116 . 1 1 17 17 GLN H H 1 8.21 0.0035 . 1 . . . . 17 GLN H . 20089 1
117 . 1 1 17 17 GLN HA H 1 4.05 0.025 . 1 . . . . 17 GLN HA . 20089 1
118 . 1 1 17 17 GLN HB2 H 1 2.01 0.0035 . 1 . . . . 17 GLN HB2 . 20089 1
119 . 1 1 17 17 GLN HB3 H 1 2.01 0.0035 . 1 . . . . 17 GLN HB3 . 20089 1
120 . 1 1 17 17 GLN HG2 H 1 2.32 0.0035 . 1 . . . . 17 GLN HG2 . 20089 1
121 . 1 1 17 17 GLN HG3 H 1 2.32 0.0035 . 1 . . . . 17 GLN HG3 . 20089 1
122 . 1 1 18 18 ASP H H 1 8.30 0.0035 . 1 . . . . 18 ASP H . 20089 1
123 . 1 1 18 18 ASP HA H 1 4.59 0.025 . 1 . . . . 18 ASP HA . 20089 1
124 . 1 1 18 18 ASP HB2 H 1 2.59 0.025 . 2 . . . . 18 ASP HB2 . 20089 1
125 . 1 1 18 18 ASP HB3 H 1 2.81 0.025 . 2 . . . . 18 ASP HB3 . 20089 1
126 . 1 1 19 19 NH2 HN1 H 1 7.24 0.0035 . 9 . . . . 18 NHT1 H . 20089 1
127 . 1 1 19 19 NH2 HN2 H 1 7.21 0.0035 . 9 . . . . 18 NHT2 H . 20089 1
stop_
save_