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 27480
_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-15N inverse CP' . . . 27480 1
2 '2D 1H-13C inverse CP' . . . 27480 1
3 '3D HCCH-TOCSY' . . . 27480 1
4 '3D HNCO' . . . 27480 1
5 '3D HNCA' . . . 27480 1
6 '3D HCOCAHA' . . . 27480 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 $SPARKY . . 27480 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 ZAE H H 1 6.785 0.00 . 1 . . . . . 1 ZAE H . 27480 1
2 . 1 1 1 1 ZAE H12 H 1 2.708 0.00 . 1 . . . . . 1 ZAE H12 . 27480 1
3 . 1 1 1 1 ZAE HA H 1 4.444 0.03 . 1 . . . . . 1 ZAE HA . 27480 1
4 . 1 1 1 1 ZAE HB2 H 1 3.141 0.00 . 1 . . . . . 1 ZAE HB2 . 27480 1
5 . 1 1 1 1 ZAE HB3 H 1 3.775 0.00 . 1 . . . . . 1 ZAE HB3 . 27480 1
6 . 1 1 1 1 ZAE C C 13 176.702 0.00 . 1 . . . . . 1 ZAE C . 27480 1
7 . 1 1 1 1 ZAE C10 C 13 33.680 0.02 . 1 . . . . . 1 ZAE C10 . 27480 1
8 . 1 1 1 1 ZAE CA C 13 64.487 0.00 . 1 . . . . . 1 ZAE CA . 27480 1
9 . 1 1 1 1 ZAE CB C 13 38.659 0.05 . 1 . . . . . 1 ZAE CB . 27480 1
10 . 1 1 1 1 ZAE N N 15 110.610 0.09 . 1 . . . . . 1 ZAE N . 27480 1
11 . 1 1 2 2 ILE H H 1 8.623 0.00 . 1 . . . . . 2 ILE H . 27480 1
12 . 1 1 2 2 ILE HA H 1 5.185 0.00 . 1 . . . . . 2 ILE HA . 27480 1
13 . 1 1 2 2 ILE HB H 1 1.073 0.00 . 1 . . . . . 2 ILE HB . 27480 1
14 . 1 1 2 2 ILE HG12 H 1 0.396 0.00 . 1 . . . . . 2 ILE HG12 . 27480 1
15 . 1 1 2 2 ILE HG13 H 1 1.236 0.00 . 1 . . . . . 2 ILE HG13 . 27480 1
16 . 1 1 2 2 ILE HG21 H 1 0.262 0.00 . 1 . . . . . 2 ILE HG22 . 27480 1
17 . 1 1 2 2 ILE HG22 H 1 0.262 0.00 . 1 . . . . . 2 ILE HG22 . 27480 1
18 . 1 1 2 2 ILE HG23 H 1 0.262 0.00 . 1 . . . . . 2 ILE HG22 . 27480 1
19 . 1 1 2 2 ILE HD11 H 1 0.522 0.00 . 1 . . . . . 2 ILE HD12 . 27480 1
20 . 1 1 2 2 ILE HD12 H 1 0.522 0.00 . 1 . . . . . 2 ILE HD12 . 27480 1
21 . 1 1 2 2 ILE HD13 H 1 0.522 0.00 . 1 . . . . . 2 ILE HD12 . 27480 1
22 . 1 1 2 2 ILE C C 13 172.636 0.00 . 1 . . . . . 2 ILE C . 27480 1
23 . 1 1 2 2 ILE CA C 13 58.936 0.00 . 1 . . . . . 2 ILE CA . 27480 1
24 . 1 1 2 2 ILE CB C 13 42.461 0.00 . 1 . . . . . 2 ILE CB . 27480 1
25 . 1 1 2 2 ILE CG1 C 13 26.988 0.01 . 1 . . . . . 2 ILE CG1 . 27480 1
26 . 1 1 2 2 ILE CG2 C 13 17.171 0.00 . 1 . . . . . 2 ILE CG2 . 27480 1
27 . 1 1 2 2 ILE CD1 C 13 14.586 0.00 . 1 . . . . . 2 ILE CD1 . 27480 1
28 . 1 1 2 2 ILE N N 15 129.539 0.00 . 1 . . . . . 2 ILE N . 27480 1
29 . 1 1 3 3 SER H H 1 9.252 0.00 . 1 . . . . . 3 SER H . 27480 1
30 . 1 1 3 3 SER HA H 1 5.440 0.00 . 1 . . . . . 3 SER HA . 27480 1
31 . 1 1 3 3 SER HB2 H 1 3.736 0.00 . 1 . . . . . 3 SER HB2 . 27480 1
32 . 1 1 3 3 SER HB3 H 1 3.689 0.04 . 1 . . . . . 3 SER HB3 . 27480 1
33 . 1 1 3 3 SER C C 13 172.656 0.00 . 1 . . . . . 3 SER C . 27480 1
34 . 1 1 3 3 SER CA C 13 57.104 0.00 . 1 . . . . . 3 SER CA . 27480 1
35 . 1 1 3 3 SER CB C 13 66.587 0.00 . 1 . . . . . 3 SER CB . 27480 1
36 . 1 1 3 3 SER N N 15 120.235 0.00 . 1 . . . . . 3 SER N . 27480 1
37 . 1 1 4 4 DGN H H 1 8.776 0.00 . 1 . . . . . 4 DGN H . 27480 1
38 . 1 1 4 4 DGN HA H 1 5.403 0.00 . 1 . . . . . 4 DGN HA . 27480 1
39 . 1 1 4 4 DGN HB2 H 1 2.046 0.00 . 1 . . . . . 4 DGN HB2 . 27480 1
40 . 1 1 4 4 DGN HB3 H 1 1.991 0.00 . 1 . . . . . 4 DGN HB3 . 27480 1
41 . 1 1 4 4 DGN HG2 H 1 2.189 0.00 . 1 . . . . . 4 DGN HG2 . 27480 1
42 . 1 1 4 4 DGN HG3 H 1 2.230 0.00 . 1 . . . . . 4 DGN HG3 . 27480 1
43 . 1 1 4 4 DGN HE21 H 1 11.370 0.00 . 1 . . . . . 4 DGN HE21 . 27480 1
44 . 1 1 4 4 DGN HE22 H 1 8.486 0.00 . 1 . . . . . 4 DGN HE22 . 27480 1
45 . 1 1 4 4 DGN C C 13 174.301 0.00 . 1 . . . . . 4 DGN C . 27480 1
46 . 1 1 4 4 DGN CA C 13 54.987 0.00 . 1 . . . . . 4 DGN CA . 27480 1
47 . 1 1 4 4 DGN CB C 13 32.190 0.00 . 1 . . . . . 4 DGN CB . 27480 1
48 . 1 1 4 4 DGN CG C 13 33.590 0.00 . 1 . . . . . 4 DGN CG . 27480 1
49 . 1 1 4 4 DGN N N 15 121.456 0.00 . 1 . . . . . 4 DGN N . 27480 1
50 . 1 1 4 4 DGN NE2 N 15 41.090 0.00 . 1 . . . . . 4 DGN NE2 . 27480 1
51 . 1 1 5 5 28J H H 1 8.242 0.00 . 1 . . . . . 5 28J H . 27480 1
52 . 1 1 5 5 28J HA H 1 5.211 0.00 . 1 . . . . . 5 28J HA . 27480 1
53 . 1 1 5 5 28J HB H 1 1.563 0.00 . 1 . . . . . 5 28J HB . 27480 1
54 . 1 1 5 5 28J HG12 H 1 0.916 0.00 . 1 . . . . . 5 28J HG12 . 27480 1
55 . 1 1 5 5 28J HG13 H 1 1.264 0.00 . 1 . . . . . 5 28J HG13 . 27480 1
56 . 1 1 5 5 28J HG22 H 1 0.799 0.00 . 1 . . . . . 5 28J HG22 . 27480 1
57 . 1 1 5 5 28J HD12 H 1 0.600 0.00 . 1 . . . . . 5 28J HD12 . 27480 1
58 . 1 1 5 5 28J C C 13 175.220 0.00 . 1 . . . . . 5 28J C . 27480 1
59 . 1 1 5 5 28J CA C 13 57.067 0.00 . 1 . . . . . 5 28J CA . 27480 1
60 . 1 1 5 5 28J CB C 13 44.096 0.00 . 1 . . . . . 5 28J CB . 27480 1
61 . 1 1 5 5 28J CG1 C 13 29.865 0.00 . 1 . . . . . 5 28J CG1 . 27480 1
62 . 1 1 5 5 28J CG2 C 13 16.468 0.00 . 1 . . . . . 5 28J CG2 . 27480 1
63 . 1 1 5 5 28J CD1 C 13 14.818 0.00 . 1 . . . . . 5 28J CD1 . 27480 1
64 . 1 1 5 5 28J N N 15 113.135 0.00 . 1 . . . . . 5 28J N . 27480 1
65 . 1 1 6 6 ILE H H 1 8.384 0.00 . 1 . . . . . 6 ILE H . 27480 1
66 . 1 1 6 6 ILE HA H 1 5.541 0.00 . 1 . . . . . 6 ILE HA . 27480 1
67 . 1 1 6 6 ILE HB H 1 1.895 0.00 . 1 . . . . . 6 ILE HB . 27480 1
68 . 1 1 6 6 ILE HG12 H 1 1.067 0.00 . 1 . . . . . 6 ILE HG12 . 27480 1
69 . 1 1 6 6 ILE HG13 H 1 1.358 0.00 . 1 . . . . . 6 ILE HG13 . 27480 1
70 . 1 1 6 6 ILE HG21 H 1 1.128 0.00 . 1 . . . . . 6 ILE HG22 . 27480 1
71 . 1 1 6 6 ILE HG22 H 1 1.128 0.00 . 1 . . . . . 6 ILE HG22 . 27480 1
72 . 1 1 6 6 ILE HG23 H 1 1.128 0.00 . 1 . . . . . 6 ILE HG22 . 27480 1
73 . 1 1 6 6 ILE HD11 H 1 0.768 0.00 . 1 . . . . . 6 ILE HD12 . 27480 1
74 . 1 1 6 6 ILE HD12 H 1 0.768 0.00 . 1 . . . . . 6 ILE HD12 . 27480 1
75 . 1 1 6 6 ILE HD13 H 1 0.768 0.00 . 1 . . . . . 6 ILE HD12 . 27480 1
76 . 1 1 6 6 ILE C C 13 176.148 0.00 . 1 . . . . . 6 ILE C . 27480 1
77 . 1 1 6 6 ILE CA C 13 57.191 0.00 . 1 . . . . . 6 ILE CA . 27480 1
78 . 1 1 6 6 ILE CB C 13 38.475 0.00 . 1 . . . . . 6 ILE CB . 27480 1
79 . 1 1 6 6 ILE CG1 C 13 26.917 0.02 . 1 . . . . . 6 ILE CG1 . 27480 1
80 . 1 1 6 6 ILE CG2 C 13 18.300 0.00 . 1 . . . . . 6 ILE CG2 . 27480 1
81 . 1 1 6 6 ILE CD1 C 13 12.445 0.00 . 1 . . . . . 6 ILE CD1 . 27480 1
82 . 1 1 6 6 ILE N N 15 121.110 0.00 . 1 . . . . . 6 ILE N . 27480 1
83 . 1 1 7 7 SER H H 1 10.958 0.00 . 1 . . . . . 7 SER H . 27480 1
84 . 1 1 7 7 SER HA H 1 4.508 0.00 . 1 . . . . . 7 SER HA . 27480 1
85 . 1 1 7 7 SER HB2 H 1 3.686 0.03 . 1 . . . . . 7 SER HB2 . 27480 1
86 . 1 1 7 7 SER HB3 H 1 4.065 0.00 . 1 . . . . . 7 SER HB3 . 27480 1
87 . 1 1 7 7 SER C C 13 177.118 0.00 . 1 . . . . . 7 SER C . 27480 1
88 . 1 1 7 7 SER CA C 13 60.811 0.10 . 1 . . . . . 7 SER CA . 27480 1
89 . 1 1 7 7 SER CB C 13 64.960 0.02 . 1 . . . . . 7 SER CB . 27480 1
90 . 1 1 7 7 SER N N 15 126.718 0.00 . 1 . . . . . 7 SER N . 27480 1
91 . 1 1 8 8 DTH H H 1 8.338 0.00 . 1 . . . . . 8 DTH H . 27480 1
92 . 1 1 8 8 DTH HA H 1 5.137 0.00 . 1 . . . . . 8 DTH HA . 27480 1
93 . 1 1 8 8 DTH HB H 1 5.416 0.00 . 1 . . . . . 8 DTH HB . 27480 1
94 . 1 1 8 8 DTH HG22 H 1 1.418 0.00 . 1 . . . . . 8 DTH HG22 . 27480 1
95 . 1 1 8 8 DTH C C 13 172.869 0.00 . 1 . . . . . 8 DTH C . 27480 1
96 . 1 1 8 8 DTH CA C 13 58.113 0.04 . 1 . . . . . 8 DTH CA . 27480 1
97 . 1 1 8 8 DTH CB C 13 72.837 0.05 . 1 . . . . . 8 DTH CB . 27480 1
98 . 1 1 8 8 DTH CG2 C 13 18.158 0.00 . 1 . . . . . 8 DTH CG2 . 27480 1
99 . 1 1 8 8 DTH N N 15 110.675 0.00 . 1 . . . . . 8 DTH N . 27480 1
100 . 1 1 9 9 ALA H H 1 8.741 0.00 . 1 . . . . . 9 ALA H . 27480 1
101 . 1 1 9 9 ALA HA H 1 4.091 0.00 . 1 . . . . . 9 ALA HA . 27480 1
102 . 1 1 9 9 ALA HB1 H 1 1.471 0.00 . 1 . . . . . 9 ALA HB2 . 27480 1
103 . 1 1 9 9 ALA HB2 H 1 1.471 0.00 . 1 . . . . . 9 ALA HB2 . 27480 1
104 . 1 1 9 9 ALA HB3 H 1 1.471 0.00 . 1 . . . . . 9 ALA HB2 . 27480 1
105 . 1 1 9 9 ALA C C 13 178.254 0.00 . 1 . . . . . 9 ALA C . 27480 1
106 . 1 1 9 9 ALA CA C 13 55.714 0.04 . 1 . . . . . 9 ALA CA . 27480 1
107 . 1 1 9 9 ALA CB C 13 19.020 0.00 . 1 . . . . . 9 ALA CB . 27480 1
108 . 1 1 9 9 ALA N N 15 128.054 0.00 . 1 . . . . . 9 ALA N . 27480 1
109 . 1 1 10 10 XXX H H 1 9.204 0.00 . 1 . . . . . 10 XXX H . 27480 1
110 . 1 1 10 10 XXX HA H 1 4.630 0.00 . 1 . . . . . 10 XXX HA . 27480 1
111 . 1 1 10 10 XXX HB2 H 1 1.780 0.00 . 1 . . . . . 10 XXX HB2 . 27480 1
112 . 1 1 10 10 XXX HB3 H 1 2.438 0.00 . 1 . . . . . 10 XXX HB3 . 27480 1
113 . 1 1 10 10 XXX HG H 1 4.019 0.00 . 1 . . . . . 10 XXX HG . 27480 1
114 . 1 1 10 10 XXX HD1 H 1 3.393 0.04 . 1 . . . . . 10 XXX HD1 . 27480 1
115 . 1 1 10 10 XXX HD2 H 1 4.254 0.06 . 1 . . . . . 10 XXX HD2 . 27480 1
116 . 1 1 10 10 XXX HZ H 1 7.879 0.00 . 1 . . . . . 10 XXX HZ . 27480 1
117 . 1 1 10 10 XXX HND H 1 7.176 0.00 . 1 . . . . . 10 XXX HND . 27480 1
118 . 1 1 10 10 XXX HNG H 1 8.718 0.00 . 1 . . . . . 10 XXX HNG . 27480 1
119 . 1 1 10 10 XXX C C 13 174.605 0.00 . 1 . . . . . 10 XXX C . 27480 1
120 . 1 1 10 10 XXX CA C 13 54.256 0.04 . 1 . . . . . 10 XXX CA . 27480 1
121 . 1 1 10 10 XXX CB C 13 40.233 0.00 . 1 . . . . . 10 XXX CB . 27480 1
122 . 1 1 10 10 XXX CG C 13 54.140 0.00 . 1 . . . . . 10 XXX CG . 27480 1
123 . 1 1 10 10 XXX CD C 13 51.315 0.01 . 1 . . . . . 10 XXX CD . 27480 1
124 . 1 1 10 10 XXX CZ C 13 175.423 0.00 . 1 . . . . . 10 XXX CZ . 27480 1
125 . 1 1 10 10 XXX N N 15 110.926 0.00 . 1 . . . . . 10 XXX N . 27480 1
126 . 1 1 10 10 XXX NG N 15 90.220 0.00 . 1 . . . . . 10 XXX NG . 27480 1
127 . 1 1 10 10 XXX ND N 15 76.390 0.00 . 1 . . . . . 10 XXX ND . 27480 1
128 . 1 1 10 10 XXX NZ N 15 70.230 0.00 . 1 . . . . . 10 XXX NZ . 27480 1
129 . 1 1 11 11 ILE H H 1 8.500 0.00 . 1 . . . . . 11 ILE H . 27480 1
130 . 1 1 11 11 ILE HA H 1 4.032 0.00 . 1 . . . . . 11 ILE HA . 27480 1
131 . 1 1 11 11 ILE HB H 1 1.798 0.00 . 1 . . . . . 11 ILE HB . 27480 1
132 . 1 1 11 11 ILE HG12 H 1 0.997 0.00 . 1 . . . . . 11 ILE HG12 . 27480 1
133 . 1 1 11 11 ILE HG13 H 1 1.502 0.00 . 1 . . . . . 11 ILE HG13 . 27480 1
134 . 1 1 11 11 ILE HG21 H 1 0.689 0.00 . 1 . . . . . 11 ILE HG22 . 27480 1
135 . 1 1 11 11 ILE HG22 H 1 0.689 0.00 . 1 . . . . . 11 ILE HG22 . 27480 1
136 . 1 1 11 11 ILE HG23 H 1 0.689 0.00 . 1 . . . . . 11 ILE HG22 . 27480 1
137 . 1 1 11 11 ILE HD11 H 1 0.684 0.00 . 1 . . . . . 11 ILE HD12 . 27480 1
138 . 1 1 11 11 ILE HD12 H 1 0.684 0.00 . 1 . . . . . 11 ILE HD12 . 27480 1
139 . 1 1 11 11 ILE HD13 H 1 0.684 0.00 . 1 . . . . . 11 ILE HD12 . 27480 1
140 . 1 1 11 11 ILE C C 13 172.983 0.00 . 1 . . . . . 11 ILE C . 27480 1
141 . 1 1 11 11 ILE CA C 13 60.547 0.00 . 1 . . . . . 11 ILE CA . 27480 1
142 . 1 1 11 11 ILE CB C 13 38.306 0.00 . 1 . . . . . 11 ILE CB . 27480 1
143 . 1 1 11 11 ILE CG1 C 13 27.792 0.00 . 1 . . . . . 11 ILE CG1 . 27480 1
144 . 1 1 11 11 ILE CG2 C 13 17.459 0.00 . 1 . . . . . 11 ILE CG2 . 27480 1
145 . 1 1 11 11 ILE CD1 C 13 12.832 0.00 . 1 . . . . . 11 ILE CD1 . 27480 1
146 . 1 1 11 11 ILE N N 15 117.961 0.00 . 1 . . . . . 11 ILE N . 27480 1
stop_
save_