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 34066
_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 $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-1H COSY' . . . 34066 1
2 '2D 1H-1H TOCSY' . . . 34066 1
3 '2D 1H-1H NOESY' . . . 34066 1
4 '2D 1H-13C HSQC aliphatic' . . . 34066 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.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 ACE H1 H 1 2.043 0.005 . 1 . . . . A 1 ACE H1 . 34066 1
2 . 1 1 1 1 ACE H2 H 1 2.043 0.005 . 1 . . . . A 1 ACE H2 . 34066 1
3 . 1 1 1 1 ACE H3 H 1 2.043 0.005 . 1 . . . . A 1 ACE H3 . 34066 1
4 . 1 1 1 1 ACE CH3 C 13 25.317 0.000 . 1 . . . . A 1 ACE CH3 . 34066 1
5 . 1 1 2 2 AIB H H 1 7.229 0.006 . 1 . . . . A 2 AIB H . 34066 1
6 . 1 1 2 2 AIB CB1 C 13 28.663 0.000 . 1 . . . . A 2 AIB CB1 . 34066 1
7 . 1 1 2 2 AIB CB2 C 13 26.360 0.000 . 1 . . . . A 2 AIB CB2 . 34066 1
8 . 1 1 2 2 AIB HB11 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB11 . 34066 1
9 . 1 1 2 2 AIB HB12 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB12 . 34066 1
10 . 1 1 2 2 AIB HB13 H 1 1.454 0.004 . 1 . . . . A 2 AIB HB13 . 34066 1
11 . 1 1 2 2 AIB HB21 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB21 . 34066 1
12 . 1 1 2 2 AIB HB22 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB22 . 34066 1
13 . 1 1 2 2 AIB HB23 H 1 1.488 0.003 . 1 . . . . A 2 AIB HB23 . 34066 1
14 . 1 1 3 3 ASN H H 1 7.963 0.003 . 1 . . . . A 3 ASN H . 34066 1
15 . 1 1 3 3 ASN HA H 1 4.392 0.004 . 1 . . . . A 3 ASN HA . 34066 1
16 . 1 1 3 3 ASN HB2 H 1 2.767 0.001 . 2 . . . . A 3 ASN HB2 . 34066 1
17 . 1 1 3 3 ASN HB3 H 1 2.797 0.005 . 2 . . . . A 3 ASN HB3 . 34066 1
18 . 1 1 3 3 ASN HD21 H 1 6.059 0.007 . 2 . . . . A 3 ASN HD21 . 34066 1
19 . 1 1 3 3 ASN HD22 H 1 7.033 0.005 . 2 . . . . A 3 ASN HD22 . 34066 1
20 . 1 1 3 3 ASN CA C 13 56.303 0.000 . 1 . . . . A 3 ASN CA . 34066 1
21 . 1 1 3 3 ASN CB C 13 38.348 0.000 . 1 . . . . A 3 ASN CB . 34066 1
22 . 1 1 4 4 ILE H H 1 7.878 0.004 . 1 . . . . A 4 ILE H . 34066 1
23 . 1 1 4 4 ILE HA H 1 4.082 0.005 . 1 . . . . A 4 ILE HA . 34066 1
24 . 1 1 4 4 ILE HB H 1 2.131 0.005 . 1 . . . . A 4 ILE HB . 34066 1
25 . 1 1 4 4 ILE HG12 H 1 1.290 0.005 . 2 . . . . A 4 ILE HG12 . 34066 1
26 . 1 1 4 4 ILE HG13 H 1 1.578 0.004 . 2 . . . . A 4 ILE HG13 . 34066 1
27 . 1 1 4 4 ILE HG21 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG21 . 34066 1
28 . 1 1 4 4 ILE HG22 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG22 . 34066 1
29 . 1 1 4 4 ILE HG23 H 1 1.001 0.006 . 1 . . . . A 4 ILE HG23 . 34066 1
30 . 1 1 4 4 ILE HD11 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD11 . 34066 1
31 . 1 1 4 4 ILE HD12 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD12 . 34066 1
32 . 1 1 4 4 ILE HD13 H 1 0.942 0.006 . 1 . . . . A 4 ILE HD13 . 34066 1
33 . 1 1 4 4 ILE CA C 13 64.362 0.000 . 1 . . . . A 4 ILE CA . 34066 1
34 . 1 1 4 4 ILE CB C 13 39.317 0.000 . 1 . . . . A 4 ILE CB . 34066 1
35 . 1 1 4 4 ILE CG1 C 13 29.035 0.003 . 1 . . . . A 4 ILE CG1 . 34066 1
36 . 1 1 4 4 ILE CG2 C 13 17.970 0.000 . 1 . . . . A 4 ILE CG2 . 34066 1
37 . 1 1 4 4 ILE CD1 C 13 12.973 0.000 . 1 . . . . A 4 ILE CD1 . 34066 1
38 . 1 1 5 5 ILE H H 1 7.414 0.004 . 1 . . . . A 5 ILE H . 34066 1
39 . 1 1 5 5 ILE HA H 1 4.420 0.004 . 1 . . . . A 5 ILE HA . 34066 1
40 . 1 1 5 5 ILE HB H 1 2.086 0.005 . 1 . . . . A 5 ILE HB . 34066 1
41 . 1 1 5 5 ILE HG12 H 1 1.344 0.005 . 2 . . . . A 5 ILE HG12 . 34066 1
42 . 1 1 5 5 ILE HG13 H 1 1.559 0.008 . 2 . . . . A 5 ILE HG13 . 34066 1
43 . 1 1 5 5 ILE HG21 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG21 . 34066 1
44 . 1 1 5 5 ILE HG22 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG22 . 34066 1
45 . 1 1 5 5 ILE HG23 H 1 1.009 0.005 . 1 . . . . A 5 ILE HG23 . 34066 1
46 . 1 1 5 5 ILE HD11 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD11 . 34066 1
47 . 1 1 5 5 ILE HD12 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD12 . 34066 1
48 . 1 1 5 5 ILE HD13 H 1 0.889 0.005 . 1 . . . . A 5 ILE HD13 . 34066 1
49 . 1 1 5 5 ILE CA C 13 62.838 0.000 . 1 . . . . A 5 ILE CA . 34066 1
50 . 1 1 5 5 ILE CB C 13 40.264 0.000 . 1 . . . . A 5 ILE CB . 34066 1
51 . 1 1 5 5 ILE CG1 C 13 28.849 0.005 . 1 . . . . A 5 ILE CG1 . 34066 1
52 . 1 1 5 5 ILE CG2 C 13 18.284 0.000 . 1 . . . . A 5 ILE CG2 . 34066 1
53 . 1 1 5 5 ILE CD1 C 13 12.655 0.000 . 1 . . . . A 5 ILE CD1 . 34066 1
54 . 1 1 6 6 AIB H H 1 8.616 0.004 . 1 . . . . A 6 AIB H . 34066 1
55 . 1 1 6 6 AIB CB1 C 13 26.204 0.000 . 1 . . . . A 6 AIB CB1 . 34066 1
56 . 1 1 6 6 AIB CB2 C 13 22.813 0.000 . 1 . . . . A 6 AIB CB2 . 34066 1
57 . 1 1 6 6 AIB HB11 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB11 . 34066 1
58 . 1 1 6 6 AIB HB12 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB12 . 34066 1
59 . 1 1 6 6 AIB HB13 H 1 1.489 0.009 . 1 . . . . A 6 AIB HB13 . 34066 1
60 . 1 1 6 6 AIB HB21 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB21 . 34066 1
61 . 1 1 6 6 AIB HB22 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB22 . 34066 1
62 . 1 1 6 6 AIB HB23 H 1 1.795 0.006 . 1 . . . . A 6 AIB HB23 . 34066 1
63 . 1 1 7 7 PRO HA H 1 4.407 0.004 . 1 . . . . A 7 PRO HA . 34066 1
64 . 1 1 7 7 PRO HB2 H 1 1.799 0.006 . 2 . . . . A 7 PRO HB2 . 34066 1
65 . 1 1 7 7 PRO HB3 H 1 2.417 0.006 . 2 . . . . A 7 PRO HB3 . 34066 1
66 . 1 1 7 7 PRO HG2 H 1 1.959 0.006 . 2 . . . . A 7 PRO HG2 . 34066 1
67 . 1 1 7 7 PRO HG3 H 1 2.077 0.006 . 2 . . . . A 7 PRO HG3 . 34066 1
68 . 1 1 7 7 PRO HD2 H 1 3.408 0.004 . 2 . . . . A 7 PRO HD2 . 34066 1
69 . 1 1 7 7 PRO HD3 H 1 4.060 0.004 . 2 . . . . A 7 PRO HD3 . 34066 1
70 . 1 1 7 7 PRO CA C 13 67.350 0.000 . 1 . . . . A 7 PRO CA . 34066 1
71 . 1 1 7 7 PRO CB C 13 32.075 0.007 . 1 . . . . A 7 PRO CB . 34066 1
72 . 1 1 7 7 PRO CG C 13 29.509 0.002 . 1 . . . . A 7 PRO CG . 34066 1
73 . 1 1 7 7 PRO CD C 13 53.721 0.002 . 1 . . . . A 7 PRO CD . 34066 1
74 . 1 1 8 8 LEU H H 1 7.835 0.002 . 1 . . . . A 8 LEU H . 34066 1
75 . 1 1 8 8 LEU HA H 1 4.240 0.004 . 1 . . . . A 8 LEU HA . 34066 1
76 . 1 1 8 8 LEU HB2 H 1 1.653 0.006 . 2 . . . . A 8 LEU HB2 . 34066 1
77 . 1 1 8 8 LEU HB3 H 1 2.007 0.004 . 2 . . . . A 8 LEU HB3 . 34066 1
78 . 1 1 8 8 LEU HG H 1 1.827 0.003 . 1 . . . . A 8 LEU HG . 34066 1
79 . 1 1 8 8 LEU HD11 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD11 . 34066 1
80 . 1 1 8 8 LEU HD12 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD12 . 34066 1
81 . 1 1 8 8 LEU HD13 H 1 0.950 0.005 . 2 . . . . A 8 LEU HD13 . 34066 1
82 . 1 1 8 8 LEU HD21 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD21 . 34066 1
83 . 1 1 8 8 LEU HD22 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD22 . 34066 1
84 . 1 1 8 8 LEU HD23 H 1 1.048 0.004 . 2 . . . . A 8 LEU HD23 . 34066 1
85 . 1 1 8 8 LEU CA C 13 58.115 0.000 . 1 . . . . A 8 LEU CA . 34066 1
86 . 1 1 8 8 LEU CB C 13 43.103 0.005 . 1 . . . . A 8 LEU CB . 34066 1
87 . 1 1 8 8 LEU CG C 13 28.574 0.000 . 1 . . . . A 8 LEU CG . 34066 1
88 . 1 1 8 8 LEU CD1 C 13 23.032 0.000 . 1 . . . . A 8 LEU CD1 . 34066 1
89 . 1 1 8 8 LEU CD2 C 13 25.727 0.000 . 1 . . . . A 8 LEU CD2 . 34066 1
90 . 1 1 9 9 LEU H H 1 7.227 0.004 . 1 . . . . A 9 LEU H . 34066 1
91 . 1 1 9 9 LEU HA H 1 4.601 0.004 . 1 . . . . A 9 LEU HA . 34066 1
92 . 1 1 9 9 LEU HB2 H 1 1.691 0.004 . 2 . . . . A 9 LEU HB2 . 34066 1
93 . 1 1 9 9 LEU HB3 H 1 1.763 0.007 . 2 . . . . A 9 LEU HB3 . 34066 1
94 . 1 1 9 9 LEU HG H 1 1.644 0.000 . 1 . . . . A 9 LEU HG . 34066 1
95 . 1 1 9 9 LEU HD11 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD11 . 34066 1
96 . 1 1 9 9 LEU HD12 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD12 . 34066 1
97 . 1 1 9 9 LEU HD13 H 1 0.871 0.002 . 2 . . . . A 9 LEU HD13 . 34066 1
98 . 1 1 9 9 LEU HD21 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD21 . 34066 1
99 . 1 1 9 9 LEU HD22 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD22 . 34066 1
100 . 1 1 9 9 LEU HD23 H 1 0.904 0.003 . 2 . . . . A 9 LEU HD23 . 34066 1
101 . 1 1 9 9 LEU CA C 13 55.555 0.000 . 1 . . . . A 9 LEU CA . 34066 1
102 . 1 1 9 9 LEU CB C 13 44.031 0.001 . 1 . . . . A 9 LEU CB . 34066 1
103 . 1 1 9 9 LEU CG C 13 28.391 0.000 . 1 . . . . A 9 LEU CG . 34066 1
104 . 1 1 9 9 LEU CD1 C 13 22.946 0.000 . 1 . . . . A 9 LEU CD1 . 34066 1
105 . 1 1 9 9 LEU CD2 C 13 25.499 0.000 . 1 . . . . A 9 LEU CD2 . 34066 1
106 . 1 1 10 10 AIB H H 1 7.573 0.003 . 1 . . . . A 10 AIB H . 34066 1
107 . 1 1 10 10 AIB CB1 C 13 28.262 0.000 . 1 . . . . A 10 AIB CB1 . 34066 1
108 . 1 1 10 10 AIB CB2 C 13 26.385 0.000 . 1 . . . . A 10 AIB CB2 . 34066 1
109 . 1 1 10 10 AIB HB11 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB11 . 34066 1
110 . 1 1 10 10 AIB HB12 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB12 . 34066 1
111 . 1 1 10 10 AIB HB13 H 1 1.479 0.008 . 1 . . . . A 10 AIB HB13 . 34066 1
112 . 1 1 10 10 AIB HB21 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB21 . 34066 1
113 . 1 1 10 10 AIB HB22 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB22 . 34066 1
114 . 1 1 10 10 AIB HB23 H 1 1.499 0.006 . 1 . . . . A 10 AIB HB23 . 34066 1
115 . 1 1 11 11 PRO HA H 1 4.410 0.005 . 1 . . . . A 11 PRO HA . 34066 1
116 . 1 1 11 11 PRO HB2 H 1 1.784 0.008 . 2 . . . . A 11 PRO HB2 . 34066 1
117 . 1 1 11 11 PRO HB3 H 1 2.365 0.004 . 2 . . . . A 11 PRO HB3 . 34066 1
118 . 1 1 11 11 PRO HG2 H 1 1.920 0.004 . 2 . . . . A 11 PRO HG2 . 34066 1
119 . 1 1 11 11 PRO HG3 H 1 2.019 0.006 . 2 . . . . A 11 PRO HG3 . 34066 1
120 . 1 1 11 11 PRO HD2 H 1 3.338 0.004 . 2 . . . . A 11 PRO HD2 . 34066 1
121 . 1 1 11 11 PRO HD3 H 1 3.873 0.004 . 2 . . . . A 11 PRO HD3 . 34066 1
122 . 1 1 11 11 PRO CA C 13 68.605 0.000 . 1 . . . . A 11 PRO CA . 34066 1
123 . 1 1 11 11 PRO CB C 13 32.398 0.002 . 1 . . . . A 11 PRO CB . 34066 1
124 . 1 1 11 11 PRO CG C 13 29.110 0.001 . 1 . . . . A 11 PRO CG . 34066 1
125 . 1 1 11 11 PRO CD C 13 53.098 0.001 . 1 . . . . A 11 PRO CD . 34066 1
126 . 1 1 12 12 DCL C C 13 68.706 0.002 . 1 . . . . A 12 DCL C . 34066 1
127 . 1 1 12 12 DCL CA C 13 54.025 0.000 . 1 . . . . A 12 DCL CA . 34066 1
128 . 1 1 12 12 DCL CB C 13 42.456 0.002 . 1 . . . . A 12 DCL CB . 34066 1
129 . 1 1 12 12 DCL CD1 C 13 24.281 0.000 . 1 . . . . A 12 DCL CD1 . 34066 1
130 . 1 1 12 12 DCL CD2 C 13 25.725 0.000 . 1 . . . . A 12 DCL CD2 . 34066 1
131 . 1 1 12 12 DCL CG C 13 28.383 0.000 . 1 . . . . A 12 DCL CG . 34066 1
132 . 1 1 12 12 DCL HA H 1 4.067 0.004 . 1 . . . . A 12 DCL HA . 34066 1
133 . 1 1 12 12 DCL HB1 H 1 1.321 0.006 . 2 . . . . A 12 DCL HB1 . 34066 1
134 . 1 1 12 12 DCL HB2 H 1 1.645 0.006 . 2 . . . . A 12 DCL HB2 . 34066 1
135 . 1 1 12 12 DCL HC1 H 1 3.614 0.004 . 2 . . . . A 12 DCL HC1 . 34066 1
136 . 1 1 12 12 DCL HC2 H 1 3.729 0.005 . 2 . . . . A 12 DCL HC2 . 34066 1
137 . 1 1 12 12 DCL HD11 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD11 . 34066 1
138 . 1 1 12 12 DCL HD12 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD12 . 34066 1
139 . 1 1 12 12 DCL HD13 H 1 0.917 0.003 . 2 . . . . A 12 DCL HD13 . 34066 1
140 . 1 1 12 12 DCL HD21 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD21 . 34066 1
141 . 1 1 12 12 DCL HD22 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD22 . 34066 1
142 . 1 1 12 12 DCL HD23 H 1 0.965 0.002 . 2 . . . . A 12 DCL HD23 . 34066 1
143 . 1 1 12 12 DCL HG H 1 1.624 0.000 . 1 . . . . A 12 DCL HG . 34066 1
144 . 1 1 12 12 DCL HN1 H 1 7.639 0.001 . 1 . . . . A 12 DCL HN1 . 34066 1
stop_
save_