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 25022
_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 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_Assigned_chem_shift_list.Chem_shift_15N_err 0.2
_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 'For 1H, this is a upper limit for the variation observed for several signals in the same and different spectra. For 13C and 15N, it is estimated from the peak width.'
_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 TOCSY' . . . 25022 1
3 '2D 1H-15N HSQC' . . . 25022 1
6 '2D 1H-13C HSQC aliphatic' . . . 25022 1
7 '2D 1H-13C HSQC aromatic' . . . 25022 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 ACE H H 1 1.98 0.01 . 1 . . . . 0 ACE H . 25022 1
2 . 1 1 1 1 ACE CM C 13 24.2 0.1 . 1 . . . . 0 ACE CM . 25022 1
3 . 1 1 2 2 TRP H H 1 8.31 0.01 . 1 . . . . 1 TRP H . 25022 1
4 . 1 1 2 2 TRP HA H 1 4.46 0.01 . 1 . . . . 1 TRP HA . 25022 1
5 . 1 1 2 2 TRP HB2 H 1 3.13 0.01 . 1 . . . . 1 TRP HB2 . 25022 1
6 . 1 1 2 2 TRP HB3 H 1 3.13 0.01 . 1 . . . . 1 TRP HB3 . 25022 1
7 . 1 1 2 2 TRP HD1 H 1 7.09 0.01 . 1 . . . . 1 TRP HD1 . 25022 1
8 . 1 1 2 2 TRP HE1 H 1 10.06 0.01 . 1 . . . . 1 TRP HE1 . 25022 1
9 . 1 1 2 2 TRP HE3 H 1 7.54 0.01 . 1 . . . . 1 TRP HE3 . 25022 1
10 . 1 1 2 2 TRP HZ2 H 1 7.44 0.01 . 1 . . . . 1 TRP HZ2 . 25022 1
11 . 1 1 2 2 TRP HZ3 H 1 7.11 0.01 . 1 . . . . 1 TRP HZ3 . 25022 1
12 . 1 1 2 2 TRP HH2 H 1 7.22 0.01 . 1 . . . . 1 TRP HH2 . 25022 1
13 . 1 1 2 2 TRP CA C 13 57.8 0.1 . 1 . . . . 1 TRP CA . 25022 1
14 . 1 1 2 2 TRP CB C 13 29.4 0.1 . 1 . . . . 1 TRP CB . 25022 1
15 . 1 1 2 2 TRP CD1 C 13 126.9 0.1 . 1 . . . . 1 TRP CD1 . 25022 1
16 . 1 1 2 2 TRP CE3 C 13 120.9 0.1 . 1 . . . . 1 TRP CE3 . 25022 1
17 . 1 1 2 2 TRP CZ2 C 13 114.4 0.1 . 1 . . . . 1 TRP CZ2 . 25022 1
18 . 1 1 2 2 TRP CZ3 C 13 121.9 0.1 . 1 . . . . 1 TRP CZ3 . 25022 1
19 . 1 1 2 2 TRP CH2 C 13 124.5 0.1 . 1 . . . . 1 TRP CH2 . 25022 1
20 . 1 1 2 2 TRP N N 15 127.4 0.2 . 1 . . . . 1 TRP N . 25022 1
21 . 1 1 2 2 TRP NE1 N 15 129.0 0.2 . 1 . . . . 1 TRP NE1 . 25022 1
22 . 1 1 3 3 LYS H H 1 7.97 0.01 . 1 . . . . 2 LYS H . 25022 1
23 . 1 1 3 3 LYS HA H 1 4.06 0.01 . 1 . . . . 2 LYS HA . 25022 1
24 . 1 1 3 3 LYS HB2 H 1 1.44 0.01 . 2 . . . . 2 LYS HB2 . 25022 1
25 . 1 1 3 3 LYS HB3 H 1 1.37 0.01 . 2 . . . . 2 LYS HB3 . 25022 1
26 . 1 1 3 3 LYS HG2 H 1 1.02 0.01 . 2 . . . . 2 LYS HG2 . 25022 1
27 . 1 1 3 3 LYS HG3 H 1 1.02 0.01 . 2 . . . . 2 LYS HG3 . 25022 1
28 . 1 1 3 3 LYS HD2 H 1 1.47 0.01 . 2 . . . . 2 LYS HD2 . 25022 1
29 . 1 1 3 3 LYS HD3 H 1 1.47 0.01 . 2 . . . . 2 LYS HD3 . 25022 1
30 . 1 1 3 3 LYS HE2 H 1 2.73 0.01 . 2 . . . . 2 LYS HE2 . 25022 1
31 . 1 1 3 3 LYS HE3 H 1 2.73 0.01 . 2 . . . . 2 LYS HE3 . 25022 1
32 . 1 1 3 3 LYS CA C 13 55.6 0.1 . 1 . . . . 2 LYS CA . 25022 1
33 . 1 1 3 3 LYS CB C 13 33.4 0.1 . 1 . . . . 2 LYS CB . 25022 1
34 . 1 1 3 3 LYS CG C 13 24.3 0.1 . 1 . . . . 2 LYS CG . 25022 1
35 . 1 1 3 3 LYS CD C 13 28.9 0.1 . 1 . . . . 2 LYS CD . 25022 1
36 . 1 1 3 3 LYS CE C 13 41.7 0.1 . 1 . . . . 2 LYS CE . 25022 1
37 . 1 1 3 3 LYS N N 15 123.4 0.2 . 1 . . . . 2 LYS N . 25022 1
38 . 1 1 4 4 TRP H H 1 7.87 0.01 . 1 . . . . 3 TRP H . 25022 1
39 . 1 1 4 4 TRP HA H 1 4.30 0.01 . 1 . . . . 3 TRP HA . 25022 1
40 . 1 1 4 4 TRP HB2 H 1 3.06 0.01 . 1 . . . . 3 TRP HB2 . 25022 1
41 . 1 1 4 4 TRP HB3 H 1 3.06 0.01 . 1 . . . . 3 TRP HB3 . 25022 1
42 . 1 1 4 4 TRP HD1 H 1 7.19 0.01 . 1 . . . . 3 TRP HD1 . 25022 1
43 . 1 1 4 4 TRP HE1 H 1 10.25 0.01 . 1 . . . . 3 TRP HE1 . 25022 1
44 . 1 1 4 4 TRP HE3 H 1 7.54 0.01 . 1 . . . . 3 TRP HE3 . 25022 1
45 . 1 1 4 4 TRP HZ2 H 1 7.44 0.01 . 1 . . . . 3 TRP HZ2 . 25022 1
46 . 1 1 4 4 TRP HZ3 H 1 7.11 0.01 . 1 . . . . 3 TRP HZ3 . 25022 1
47 . 1 1 4 4 TRP HH2 H 1 7.22 0.01 . 1 . . . . 3 TRP HH2 . 25022 1
48 . 1 1 4 4 TRP CA C 13 55.6 0.1 . 1 . . . . 3 TRP CA . 25022 1
49 . 1 1 4 4 TRP CB C 13 29.5 0.1 . 1 . . . . 3 TRP CB . 25022 1
50 . 1 1 4 4 TRP CD1 C 13 127.0 0.1 . 1 . . . . 3 TRP CD1 . 25022 1
51 . 1 1 4 4 TRP CE3 C 13 120.9 0.1 . 1 . . . . 3 TRP CE3 . 25022 1
52 . 1 1 4 4 TRP CZ2 C 13 114.1 0.1 . 1 . . . . 3 TRP CZ2 . 25022 1
53 . 1 1 4 4 TRP CZ3 C 13 121.9 0.1 . 1 . . . . 3 TRP CZ3 . 25022 1
54 . 1 1 4 4 TRP CH2 C 13 124.5 0.1 . 1 . . . . 3 TRP CH2 . 25022 1
55 . 1 1 4 4 TRP N N 15 121.5 0.2 . 1 . . . . 3 TRP N . 25022 1
56 . 1 1 4 4 TRP NE1 N 15 129.6 0.2 . 1 . . . . 3 TRP NE1 . 25022 1
57 . 1 1 5 5 TRP H H 1 7.47 0.01 . 1 . . . . 4 TRP H . 25022 1
58 . 1 1 5 5 TRP HA H 1 4.66 0.01 . 1 . . . . 4 TRP HA . 25022 1
59 . 1 1 5 5 TRP HB2 H 1 3.14 0.01 . 2 . . . . 4 TRP HB2 . 25022 1
60 . 1 1 5 5 TRP HB3 H 1 2.97 0.01 . 2 . . . . 4 TRP HB3 . 25022 1
61 . 1 1 5 5 TRP HD1 H 1 7.08 0.01 . 1 . . . . 4 TRP HD1 . 25022 1
62 . 1 1 5 5 TRP HE1 H 1 10.22 0.01 . 1 . . . . 4 TRP HE1 . 25022 1
63 . 1 1 5 5 TRP HE3 H 1 7.47 0.01 . 1 . . . . 4 TRP HE3 . 25022 1
64 . 1 1 5 5 TRP HZ2 H 1 7.41 0.01 . 1 . . . . 4 TRP HZ2 . 25022 1
65 . 1 1 5 5 TRP HZ3 H 1 7.06 0.01 . 1 . . . . 4 TRP HZ3 . 25022 1
66 . 1 1 5 5 TRP HH2 H 1 7.18 0.01 . 1 . . . . 4 TRP HH2 . 25022 1
67 . 1 1 5 5 TRP CA C 13 54.4 0.1 . 1 . . . . 4 TRP CA . 25022 1
68 . 1 1 5 5 TRP CB C 13 29.0 0.1 . 1 . . . . 4 TRP CB . 25022 1
69 . 1 1 5 5 TRP CD1 C 13 127.3 0.1 . 1 . . . . 4 TRP CD1 . 25022 1
70 . 1 1 5 5 TRP CE3 C 13 120.7 0.1 . 1 . . . . 4 TRP CE3 . 25022 1
71 . 1 1 5 5 TRP CZ2 C 13 114.5 0.1 . 1 . . . . 4 TRP CZ2 . 25022 1
72 . 1 1 5 5 TRP CZ3 C 13 121.1 0.1 . 1 . . . . 4 TRP CZ3 . 25022 1
73 . 1 1 5 5 TRP CH2 C 13 124.6 0.1 . 1 . . . . 4 TRP CH2 . 25022 1
74 . 1 1 5 5 TRP N N 15 124.6 0.2 . 1 . . . . 4 TRP N . 25022 1
75 . 1 1 5 5 TRP NE1 N 15 124.6 0.2 . 1 . . . . 4 TRP NE1 . 25022 1
76 . 1 1 6 6 PRO HA H 1 4.07 0.01 . 1 . . . . 5 PRO HA . 25022 1
77 . 1 1 6 6 PRO HB2 H 1 2.20 0.01 . 2 . . . . 5 PRO HB2 . 25022 1
78 . 1 1 6 6 PRO HB3 H 1 1.85 0.01 . 2 . . . . 5 PRO HB3 . 25022 1
79 . 1 1 6 6 PRO HG2 H 1 1.91 0.01 . 1 . . . . 5 PRO HG2 . 25022 1
80 . 1 1 6 6 PRO HG3 H 1 1.91 0.01 . 1 . . . . 5 PRO HG3 . 25022 1
81 . 1 1 6 6 PRO HD2 H 1 3.46 0.01 . 1 . . . . 5 PRO HD2 . 25022 1
82 . 1 1 6 6 PRO HD3 H 1 3.46 0.01 . 1 . . . . 5 PRO HD3 . 25022 1
83 . 1 1 6 6 PRO CA C 13 63.4 0.1 . 1 . . . . 5 PRO CA . 25022 1
84 . 1 1 6 6 PRO CB C 13 31.8 0.1 . 1 . . . . 5 PRO CB . 25022 1
85 . 1 1 6 6 PRO CG C 13 27.2 0.1 . 1 . . . . 5 PRO CG . 25022 1
86 . 1 1 6 6 PRO CD C 13 50.5 0.1 . 1 . . . . 5 PRO CD . 25022 1
87 . 1 1 7 7 GLY H H 1 7.63 0.01 . 1 . . . . 6 GLY H . 25022 1
88 . 1 1 7 7 GLY HA2 H 1 3.72 0.01 . 2 . . . . 6 GLY HA2 . 25022 1
89 . 1 1 7 7 GLY HA3 H 1 3.59 0.01 . 2 . . . . 6 GLY HA3 . 25022 1
90 . 1 1 7 7 GLY CA C 13 44.7 0.1 . 1 . . . . 6 GLY CA . 25022 1
91 . 1 1 7 7 GLY N N 15 107.6 0.2 . 1 . . . . 6 GLY N . 25022 1
92 . 1 1 8 8 ILE H H 1 7.74 0.01 . 1 . . . . 7 ILE H . 25022 1
93 . 1 1 8 8 ILE HA H 1 3.90 0.01 . 1 . . . . 7 ILE HA . 25022 1
94 . 1 1 8 8 ILE HB H 1 1.47 0.01 . 1 . . . . 7 ILE HB . 25022 1
95 . 1 1 8 8 ILE HG12 H 1 1.13 0.01 . 2 . . . . 7 ILE HG12 . 25022 1
96 . 1 1 8 8 ILE HG13 H 1 0.94 0.01 . 2 . . . . 7 ILE HG13 . 25022 1
97 . 1 1 8 8 ILE HG21 H 1 0.60 0.01 . 1 . . . . 7 ILE HG21 . 25022 1
98 . 1 1 8 8 ILE HG22 H 1 0.60 0.01 . 1 . . . . 7 ILE HG22 . 25022 1
99 . 1 1 8 8 ILE HG23 H 1 0.60 0.01 . 1 . . . . 7 ILE HG23 . 25022 1
100 . 1 1 8 8 ILE HD11 H 1 0.66 0.01 . 1 . . . . 7 ILE HD11 . 25022 1
101 . 1 1 8 8 ILE HD12 H 1 0.66 0.01 . 1 . . . . 7 ILE HD12 . 25022 1
102 . 1 1 8 8 ILE HD13 H 1 0.66 0.01 . 1 . . . . 7 ILE HD13 . 25022 1
103 . 1 1 8 8 ILE CA C 13 61.6 0.1 . 1 . . . . 7 ILE CA . 25022 1
104 . 1 1 8 8 ILE CB C 13 38.3 0.1 . 1 . . . . 7 ILE CB . 25022 1
105 . 1 1 8 8 ILE CG1 C 13 27.2 0.1 . 1 . . . . 7 ILE CG1 . 25022 1
106 . 1 1 8 8 ILE CG2 C 13 16.8 0.1 . 1 . . . . 7 ILE CG2 . 25022 1
107 . 1 1 8 8 ILE CD1 C 13 13.0 0.1 . 1 . . . . 7 ILE CD1 . 25022 1
108 . 1 1 8 8 ILE N N 15 119.7 0.2 . 1 . . . . 7 ILE N . 25022 1
109 . 1 1 9 9 PHE H H 1 8.31 0.01 . 1 . . . . 8 PHE H . 25022 1
110 . 1 1 9 9 PHE HA H 1 4.60 0.01 . 1 . . . . 8 PHE HA . 25022 1
111 . 1 1 9 9 PHE HB2 H 1 3.19 0.01 . 2 . . . . 8 PHE HB2 . 25022 1
112 . 1 1 9 9 PHE HB3 H 1 2.94 0.01 . 2 . . . . 8 PHE HB3 . 25022 1
113 . 1 1 9 9 PHE HD1 H 1 7.24 0.01 . 3 . . . . 8 PHE HD1 . 25022 1
114 . 1 1 9 9 PHE HD2 H 1 7.24 0.01 . 3 . . . . 8 PHE HD2 . 25022 1
115 . 1 1 9 9 PHE HE1 H 1 7.32 0.01 . 3 . . . . 8 PHE HE1 . 25022 1
116 . 1 1 9 9 PHE HE2 H 1 7.32 0.01 . 3 . . . . 8 PHE HE2 . 25022 1
117 . 1 1 9 9 PHE HZ H 1 7.27 0.01 . 1 . . . . 8 PHE HZ . 25022 1
118 . 1 1 9 9 PHE CA C 13 57.3 0.1 . 1 . . . . 8 PHE CA . 25022 1
119 . 1 1 9 9 PHE CB C 13 39.3 0.1 . 1 . . . . 8 PHE CB . 25022 1
120 . 1 1 9 9 PHE CD1 C 13 131.7 0.1 . 3 . . . . 8 PHE CD1 . 25022 1
121 . 1 1 9 9 PHE CD2 C 13 131.7 0.1 . 3 . . . . 8 PHE CD2 . 25022 1
122 . 1 1 9 9 PHE CE1 C 13 131.4 0.1 . 3 . . . . 8 PHE CE1 . 25022 1
123 . 1 1 9 9 PHE CE2 C 13 131.4 0.1 . 3 . . . . 8 PHE CE2 . 25022 1
124 . 1 1 9 9 PHE CZ C 13 129.8 0.1 . 1 . . . . 8 PHE CZ . 25022 1
125 . 1 1 9 9 PHE N N 15 123.4 0.2 . 1 . . . . 8 PHE N . 25022 1
126 . 1 1 10 10 AMD H H 1 7.43 0.01 . 2 . . . . 9 AMD H . 25022 1
127 . 1 1 10 10 AMD HN2 H 1 7.20 0.01 . 2 . . . . 9 AMD HN2 . 25022 1
128 . 1 1 10 10 AMD N N 15 108.8 0.2 . 1 . . . . 9 AMD N . 25022 1
stop_
save_