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 52054
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'PEX14 237-245'
_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-15N HSQC' . . . 52054 1
2 '3D CBCANH' . . . 52054 1
3 '3D C(CO)NH' . . . 52054 1
4 '2D 1H-13C HSQC' . . . 52054 1
5 '2D 1H-13C HSQC aromatic' . . . 52054 1
6 '3D 15N-separated NOESY' . . . 52054 1
7 '2D 1H-1H TOCSY' . . . 52054 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
1 $software_1 . . 52054 1
2 $software_2 . . 52054 1
3 $software_3 . . 52054 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 LYS H H 1 8.380 0.004 . 1 . . . . . 237 LYS H . 52054 1
2 . 1 . 1 1 1 LYS HA H 1 4.251 0.003 . 1 . . . . . 237 LYS HA . 52054 1
3 . 1 . 1 1 1 LYS HB2 H 1 1.738 0.000 . 2 . . . . . 237 LYS HB2 . 52054 1
4 . 1 . 1 1 1 LYS HB3 H 1 1.691 0.010 . 2 . . . . . 237 LYS HB3 . 52054 1
5 . 1 . 1 1 1 LYS HG2 H 1 1.385 0.000 . 1 . . . . . 237 LYS HG2 . 52054 1
6 . 1 . 1 1 1 LYS HG3 H 1 1.385 0.000 . 1 . . . . . 237 LYS HG3 . 52054 1
7 . 1 . 1 1 1 LYS HD2 H 1 1.649 0.000 . 1 . . . . . 237 LYS HD2 . 52054 1
8 . 1 . 1 1 1 LYS HD3 H 1 1.649 0.000 . 1 . . . . . 237 LYS HD3 . 52054 1
9 . 1 . 1 1 1 LYS HE2 H 1 2.963 0.002 . 1 . . . . . 237 LYS HE2 . 52054 1
10 . 1 . 1 1 1 LYS HE3 H 1 2.963 0.002 . 1 . . . . . 237 LYS HE3 . 52054 1
11 . 1 . 1 1 1 LYS CA C 13 56.166 0.087 . 1 . . . . . 237 LYS CA . 52054 1
12 . 1 . 1 1 1 LYS CB C 13 32.909 0.024 . 1 . . . . . 237 LYS CB . 52054 1
13 . 1 . 1 1 1 LYS CG C 13 24.758 0.001 . 1 . . . . . 237 LYS CG . 52054 1
14 . 1 . 1 1 1 LYS CD C 13 29.012 0.000 . 1 . . . . . 237 LYS CD . 52054 1
15 . 1 . 1 1 1 LYS CE C 13 42.086 0.002 . 1 . . . . . 237 LYS CE . 52054 1
16 . 1 . 1 1 1 LYS N N 15 121.937 0.081 . 1 . . . . . 237 LYS N . 52054 1
17 . 1 . 1 2 2 ILE H H 1 8.116 0.004 . 1 . . . . . 238 ILE H . 52054 1
18 . 1 . 1 2 2 ILE HA H 1 4.391 0.000 . 1 . . . . . 238 ILE HA . 52054 1
19 . 1 . 1 2 2 ILE HB H 1 1.777 0.000 . 1 . . . . . 238 ILE HB . 52054 1
20 . 1 . 1 2 2 ILE HG12 H 1 1.413 0.000 . 2 . . . . . 238 ILE HG12 . 52054 1
21 . 1 . 1 2 2 ILE HG13 H 1 1.104 0.000 . 2 . . . . . 238 ILE HG13 . 52054 1
22 . 1 . 1 2 2 ILE HG21 H 1 0.871 0.000 . 1 . . . . . 238 ILE HG21 . 52054 1
23 . 1 . 1 2 2 ILE HG22 H 1 0.871 0.000 . 1 . . . . . 238 ILE HG22 . 52054 1
24 . 1 . 1 2 2 ILE HG23 H 1 0.871 0.000 . 1 . . . . . 238 ILE HG23 . 52054 1
25 . 1 . 1 2 2 ILE HD11 H 1 0.793 0.000 . 1 . . . . . 238 ILE HD11 . 52054 1
26 . 1 . 1 2 2 ILE HD12 H 1 0.793 0.000 . 1 . . . . . 238 ILE HD12 . 52054 1
27 . 1 . 1 2 2 ILE HD13 H 1 0.793 0.000 . 1 . . . . . 238 ILE HD13 . 52054 1
28 . 1 . 1 2 2 ILE CA C 13 58.393 0.037 . 1 . . . . . 238 ILE CA . 52054 1
29 . 1 . 1 2 2 ILE CB C 13 38.587 0.005 . 1 . . . . . 238 ILE CB . 52054 1
30 . 1 . 1 2 2 ILE CG1 C 13 26.773 0.002 . 1 . . . . . 238 ILE CG1 . 52054 1
31 . 1 . 1 2 2 ILE CG2 C 13 17.081 0.000 . 1 . . . . . 238 ILE CG2 . 52054 1
32 . 1 . 1 2 2 ILE CD1 C 13 12.593 0.000 . 1 . . . . . 238 ILE CD1 . 52054 1
33 . 1 . 1 2 2 ILE N N 15 123.862 0.028 . 1 . . . . . 238 ILE N . 52054 1
34 . 1 . 1 3 3 PRO HA H 1 4.261 0.000 . 1 . . . . . 239 PRO HA . 52054 1
35 . 1 . 1 3 3 PRO HB2 H 1 1.286 0.000 . 2 . . . . . 239 PRO HB2 . 52054 1
36 . 1 . 1 3 3 PRO HB3 H 1 1.970 0.000 . 2 . . . . . 239 PRO HB3 . 52054 1
37 . 1 . 1 3 3 PRO HG2 H 1 1.756 0.000 . 2 . . . . . 239 PRO HG2 . 52054 1
38 . 1 . 1 3 3 PRO HG3 H 1 1.955 0.002 . 2 . . . . . 239 PRO HG3 . 52054 1
39 . 1 . 1 3 3 PRO HD2 H 1 3.529 0.000 . 2 . . . . . 239 PRO HD2 . 52054 1
40 . 1 . 1 3 3 PRO HD3 H 1 3.785 0.000 . 2 . . . . . 239 PRO HD3 . 52054 1
41 . 1 . 1 3 3 PRO CA C 13 63.110 0.002 . 1 . . . . . 239 PRO CA . 52054 1
42 . 1 . 1 3 3 PRO CB C 13 31.922 0.001 . 1 . . . . . 239 PRO CB . 52054 1
43 . 1 . 1 3 3 PRO CG C 13 27.456 0.001 . 1 . . . . . 239 PRO CG . 52054 1
44 . 1 . 1 3 3 PRO CD C 13 50.876 0.039 . 1 . . . . . 239 PRO CD . 52054 1
45 . 1 . 1 4 4 SER H H 1 8.372 0.001 . 1 . . . . . 240 SER H . 52054 1
46 . 1 . 1 4 4 SER HA H 1 4.227 0.001 . 1 . . . . . 240 SER HA . 52054 1
47 . 1 . 1 4 4 SER HB2 H 1 3.870 0.009 . 2 . . . . . 240 SER HB2 . 52054 1
48 . 1 . 1 4 4 SER HB3 H 1 3.861 0.000 . 2 . . . . . 240 SER HB3 . 52054 1
49 . 1 . 1 4 4 SER CA C 13 59.289 0.075 . 1 . . . . . 240 SER CA . 52054 1
50 . 1 . 1 4 4 SER CB C 13 63.390 0.052 . 1 . . . . . 240 SER CB . 52054 1
51 . 1 . 1 4 4 SER N N 15 116.083 0.036 . 1 . . . . . 240 SER N . 52054 1
52 . 1 . 1 5 5 TRP H H 1 7.641 0.001 . 1 . . . . . 241 TRP H . 52054 1
53 . 1 . 1 5 5 TRP HA H 1 4.656 0.000 . 1 . . . . . 241 TRP HA . 52054 1
54 . 1 . 1 5 5 TRP HB2 H 1 3.364 0.002 . 2 . . . . . 241 TRP HB2 . 52054 1
55 . 1 . 1 5 5 TRP HB3 H 1 3.256 0.000 . 2 . . . . . 241 TRP HB3 . 52054 1
56 . 1 . 1 5 5 TRP HD1 H 1 7.279 0.000 . 1 . . . . . 241 TRP HD1 . 52054 1
57 . 1 . 1 5 5 TRP HE1 H 1 10.264 0.000 . 1 . . . . . 241 TRP HE1 . 52054 1
58 . 1 . 1 5 5 TRP HE3 H 1 7.576 0.006 . 1 . . . . . 241 TRP HE3 . 52054 1
59 . 1 . 1 5 5 TRP HZ2 H 1 7.499 0.000 . 1 . . . . . 241 TRP HZ2 . 52054 1
60 . 1 . 1 5 5 TRP HZ3 H 1 7.245 0.000 . 1 . . . . . 241 TRP HZ3 . 52054 1
61 . 1 . 1 5 5 TRP HH2 H 1 7.159 0.000 . 1 . . . . . 241 TRP HH2 . 52054 1
62 . 1 . 1 5 5 TRP CA C 13 56.978 0.085 . 1 . . . . . 241 TRP CA . 52054 1
63 . 1 . 1 5 5 TRP CB C 13 28.959 0.013 . 1 . . . . . 241 TRP CB . 52054 1
64 . 1 . 1 5 5 TRP CD1 C 13 127.419 0.000 . 1 . . . . . 241 TRP CD1 . 52054 1
65 . 1 . 1 5 5 TRP CE2 C 13 114.692 0.000 . 1 . . . . . 241 TRP CE2 . 52054 1
66 . 1 . 1 5 5 TRP CE3 C 13 120.955 0.000 . 1 . . . . . 241 TRP CE3 . 52054 1
67 . 1 . 1 5 5 TRP CZ2 C 13 114.692 0.000 . 1 . . . . . 241 TRP CZ2 . 52054 1
68 . 1 . 1 5 5 TRP CZ3 C 13 124.879 0.000 . 1 . . . . . 241 TRP CZ3 . 52054 1
69 . 1 . 1 5 5 TRP CH2 C 13 122.272 0.000 . 1 . . . . . 241 TRP CH2 . 52054 1
70 . 1 . 1 5 5 TRP N N 15 120.457 0.001 . 1 . . . . . 241 TRP N . 52054 1
71 . 1 . 1 5 5 TRP NE1 N 15 130.124 0.000 . 1 . . . . . 241 TRP NE1 . 52054 1
72 . 1 . 1 6 6 GLN H H 1 7.771 0.001 . 1 . . . . . 242 GLN H . 52054 1
73 . 1 . 1 6 6 GLN HA H 1 4.195 0.000 . 1 . . . . . 242 GLN HA . 52054 1
74 . 1 . 1 6 6 GLN HB2 H 1 1.853 0.000 . 2 . . . . . 242 GLN HB2 . 52054 1
75 . 1 . 1 6 6 GLN HB3 H 1 1.585 0.000 . 2 . . . . . 242 GLN HB3 . 52054 1
76 . 1 . 1 6 6 GLN HG2 H 1 1.997 0.000 . 2 . . . . . 242 GLN HG2 . 52054 1
77 . 1 . 1 6 6 GLN HG3 H 1 1.895 0.073 . 2 . . . . . 242 GLN HG3 . 52054 1
78 . 1 . 1 6 6 GLN HE21 H 1 6.751 0.007 . 1 . . . . . 242 GLN HE21 . 52054 1
79 . 1 . 1 6 6 GLN HE22 H 1 7.196 0.002 . 1 . . . . . 242 GLN HE22 . 52054 1
80 . 1 . 1 6 6 GLN CA C 13 55.504 0.064 . 1 . . . . . 242 GLN CA . 52054 1
81 . 1 . 1 6 6 GLN CB C 13 29.471 0.017 . 1 . . . . . 242 GLN CB . 52054 1
82 . 1 . 1 6 6 GLN CG C 13 33.618 0.001 . 1 . . . . . 242 GLN CG . 52054 1
83 . 1 . 1 6 6 GLN N N 15 121.589 0.103 . 1 . . . . . 242 GLN N . 52054 1
84 . 1 . 1 6 6 GLN NE2 N 15 111.488 0.021 . 1 . . . . . 242 GLN NE2 . 52054 1
85 . 1 . 1 7 7 ILE H H 1 7.879 0.001 . 1 . . . . . 243 ILE H . 52054 1
86 . 1 . 1 7 7 ILE HA H 1 4.264 0.000 . 1 . . . . . 243 ILE HA . 52054 1
87 . 1 . 1 7 7 ILE HB H 1 1.812 0.000 . 1 . . . . . 243 ILE HB . 52054 1
88 . 1 . 1 7 7 ILE HG12 H 1 1.486 0.000 . 2 . . . . . 243 ILE HG12 . 52054 1
89 . 1 . 1 7 7 ILE HG13 H 1 1.115 0.000 . 2 . . . . . 243 ILE HG13 . 52054 1
90 . 1 . 1 7 7 ILE HG21 H 1 0.926 0.000 . 1 . . . . . 243 ILE HG21 . 52054 1
91 . 1 . 1 7 7 ILE HG22 H 1 0.926 0.000 . 1 . . . . . 243 ILE HG22 . 52054 1
92 . 1 . 1 7 7 ILE HG23 H 1 0.926 0.000 . 1 . . . . . 243 ILE HG23 . 52054 1
93 . 1 . 1 7 7 ILE HD11 H 1 0.847 0.000 . 1 . . . . . 243 ILE HD11 . 52054 1
94 . 1 . 1 7 7 ILE HD12 H 1 0.847 0.000 . 1 . . . . . 243 ILE HD12 . 52054 1
95 . 1 . 1 7 7 ILE HD13 H 1 0.847 0.000 . 1 . . . . . 243 ILE HD13 . 52054 1
96 . 1 . 1 7 7 ILE CA C 13 59.035 0.162 . 1 . . . . . 243 ILE CA . 52054 1
97 . 1 . 1 7 7 ILE CB C 13 38.475 0.013 . 1 . . . . . 243 ILE CB . 52054 1
98 . 1 . 1 7 7 ILE CG1 C 13 27.183 0.007 . 1 . . . . . 243 ILE CG1 . 52054 1
99 . 1 . 1 7 7 ILE CG2 C 13 16.978 0.000 . 1 . . . . . 243 ILE CG2 . 52054 1
100 . 1 . 1 7 7 ILE CD1 C 13 12.796 0.000 . 1 . . . . . 243 ILE CD1 . 52054 1
101 . 1 . 1 7 7 ILE N N 15 123.830 0.018 . 1 . . . . . 243 ILE N . 52054 1
102 . 1 . 1 8 8 PRO HA H 1 4.394 0.003 . 1 . . . . . 244 PRO HA . 52054 1
103 . 1 . 1 8 8 PRO HB2 H 1 2.245 0.015 . 2 . . . . . 244 PRO HB2 . 52054 1
104 . 1 . 1 8 8 PRO HB3 H 1 1.849 0.002 . 2 . . . . . 244 PRO HB3 . 52054 1
105 . 1 . 1 8 8 PRO HG2 H 1 1.996 0.000 . 1 . . . . . 244 PRO HG2 . 52054 1
106 . 1 . 1 8 8 PRO HG3 H 1 1.996 0.000 . 1 . . . . . 244 PRO HG3 . 52054 1
107 . 1 . 1 8 8 PRO HD2 H 1 3.867 0.001 . 2 . . . . . 244 PRO HD2 . 52054 1
108 . 1 . 1 8 8 PRO HD3 H 1 3.666 0.003 . 2 . . . . . 244 PRO HD3 . 52054 1
109 . 1 . 1 8 8 PRO CA C 13 63.226 0.034 . 1 . . . . . 244 PRO CA . 52054 1
110 . 1 . 1 8 8 PRO CB C 13 32.079 0.000 . 1 . . . . . 244 PRO CB . 52054 1
111 . 1 . 1 8 8 PRO CG C 13 27.269 0.000 . 1 . . . . . 244 PRO CG . 52054 1
112 . 1 . 1 8 8 PRO CD C 13 51.151 0.001 . 1 . . . . . 244 PRO CD . 52054 1
113 . 1 . 1 9 9 VAL H H 1 8.169 0.003 . 1 . . . . . 245 VAL H . 52054 1
114 . 1 . 1 9 9 VAL HA H 1 4.029 0.006 . 1 . . . . . 245 VAL HA . 52054 1
115 . 1 . 1 9 9 VAL HB H 1 2.011 0.000 . 1 . . . . . 245 VAL HB . 52054 1
116 . 1 . 1 9 9 VAL HG11 H 1 0.936 0.000 . 2 . . . . . 245 VAL HG11 . 52054 1
117 . 1 . 1 9 9 VAL HG12 H 1 0.936 0.000 . 2 . . . . . 245 VAL HG12 . 52054 1
118 . 1 . 1 9 9 VAL HG13 H 1 0.936 0.000 . 2 . . . . . 245 VAL HG13 . 52054 1
119 . 1 . 1 9 9 VAL HG21 H 1 0.916 0.000 . 2 . . . . . 245 VAL HG21 . 52054 1
120 . 1 . 1 9 9 VAL HG22 H 1 0.916 0.000 . 2 . . . . . 245 VAL HG22 . 52054 1
121 . 1 . 1 9 9 VAL HG23 H 1 0.916 0.000 . 2 . . . . . 245 VAL HG23 . 52054 1
122 . 1 . 1 9 9 VAL CA C 13 62.211 0.015 . 1 . . . . . 245 VAL CA . 52054 1
123 . 1 . 1 9 9 VAL CB C 13 32.977 0.120 . 1 . . . . . 245 VAL CB . 52054 1
124 . 1 . 1 9 9 VAL CG1 C 13 20.619 0.000 . 2 . . . . . 245 VAL CG1 . 52054 1
125 . 1 . 1 9 9 VAL CG2 C 13 21.063 0.001 . 2 . . . . . 245 VAL CG2 . 52054 1
126 . 1 . 1 9 9 VAL N N 15 120.900 0.086 . 1 . . . . . 245 VAL N . 52054 1
stop_
save_