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 30849
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 TOCSY' . . . 30849 1
2 '2D 1H-1H NOESY' . . . 30849 1
3 '2D 1H-13C HSQC' . . . 30849 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 ALA HA H 1 4.133 0 . 1 . . . . A 1 ALA HA . 30849 1
2 . 1 . 1 1 1 ALA HB1 H 1 1.441 0 . 1 . . . . A 1 ALA HB1 . 30849 1
3 . 1 . 1 1 1 ALA HB2 H 1 1.441 0 . 1 . . . . A 1 ALA HB2 . 30849 1
4 . 1 . 1 1 1 ALA HB3 H 1 1.441 0 . 1 . . . . A 1 ALA HB3 . 30849 1
5 . 1 . 1 2 2 GLY H H 1 8.587 0 . 1 . . . . A 2 GLY H . 30849 1
6 . 1 . 1 2 2 GLY HA2 H 1 4.046 0 . 2 . . . . A 2 GLY HA2 . 30849 1
7 . 1 . 1 2 2 GLY HA3 H 1 4.017 0 . 2 . . . . A 2 GLY HA3 . 30849 1
8 . 1 . 1 3 3 THR H H 1 8.111 0 . 1 . . . . A 3 THR H . 30849 1
9 . 1 . 1 3 3 THR HB H 1 5.258 0 . 1 . . . . A 3 THR HB . 30849 1
10 . 1 . 1 3 3 THR HG21 H 1 1.103 0 . 1 . . . . A 3 THR HG21 . 30849 1
11 . 1 . 1 3 3 THR HG22 H 1 1.103 0 . 1 . . . . A 3 THR HG22 . 30849 1
12 . 1 . 1 3 3 THR HG23 H 1 1.103 0 . 1 . . . . A 3 THR HG23 . 30849 1
13 . 1 . 1 4 4 MET H H 1 8.566 0 . 1 . . . . A 4 MET H . 30849 1
14 . 1 . 1 4 4 MET HA H 1 4.838 0 . 1 . . . . A 4 MET HA . 30849 1
15 . 1 . 1 4 4 MET HB2 H 1 1.807 0 . 2 . . . . A 4 MET HB2 . 30849 1
16 . 1 . 1 4 4 MET HB3 H 1 1.748 0 . 2 . . . . A 4 MET HB3 . 30849 1
17 . 1 . 1 4 4 MET HG2 H 1 2.354 0 . 2 . . . . A 4 MET HG2 . 30849 1
18 . 1 . 1 4 4 MET HG3 H 1 2.286 0 . 2 . . . . A 4 MET HG3 . 30849 1
19 . 1 . 1 4 4 MET HE1 H 1 1.895 0 . 1 . . . . A 4 MET HE1 . 30849 1
20 . 1 . 1 4 4 MET HE2 H 1 1.895 0 . 1 . . . . A 4 MET HE2 . 30849 1
21 . 1 . 1 4 4 MET HE3 H 1 1.895 0 . 1 . . . . A 4 MET HE3 . 30849 1
22 . 1 . 1 5 5 ARG H H 1 8.91 0 . 1 . . . . A 5 ARG H . 30849 1
23 . 1 . 1 5 5 ARG HA H 1 4.603 0 . 1 . . . . A 5 ARG HA . 30849 1
24 . 1 . 1 5 5 ARG HB2 H 1 1.66 0 . 2 . . . . A 5 ARG HB2 . 30849 1
25 . 1 . 1 5 5 ARG HB3 H 1 1.621 0 . 2 . . . . A 5 ARG HB3 . 30849 1
26 . 1 . 1 5 5 ARG HG2 H 1 1.416 0 . 2 . . . . A 5 ARG HG2 . 30849 1
27 . 1 . 1 5 5 ARG HG3 H 1 1.416 0 . 2 . . . . A 5 ARG HG3 . 30849 1
28 . 1 . 1 5 5 ARG HD2 H 1 3.078 0 . 2 . . . . A 5 ARG HD2 . 30849 1
29 . 1 . 1 5 5 ARG HD3 H 1 3.078 0 . 2 . . . . A 5 ARG HD3 . 30849 1
30 . 1 . 1 5 5 ARG HE H 1 7.028 0 . 1 . . . . A 5 ARG HE . 30849 1
31 . 1 . 1 6 6 VAL H H 1 8.468 0 . 1 . . . . A 6 VAL H . 30849 1
32 . 1 . 1 6 6 VAL HA H 1 4.194 0 . 1 . . . . A 6 VAL HA . 30849 1
33 . 1 . 1 6 6 VAL HB H 1 1.787 0 . 1 . . . . A 6 VAL HB . 30849 1
34 . 1 . 1 6 6 VAL HG11 H 1 0.907 0 . 2 . . . . A 6 VAL HG11 . 30849 1
35 . 1 . 1 6 6 VAL HG12 H 1 0.907 0 . 2 . . . . A 6 VAL HG12 . 30849 1
36 . 1 . 1 6 6 VAL HG13 H 1 0.907 0 . 2 . . . . A 6 VAL HG13 . 30849 1
37 . 1 . 1 6 6 VAL HG21 H 1 0.653 0 . 2 . . . . A 6 VAL HG21 . 30849 1
38 . 1 . 1 6 6 VAL HG22 H 1 0.653 0 . 2 . . . . A 6 VAL HG22 . 30849 1
39 . 1 . 1 6 6 VAL HG23 H 1 0.653 0 . 2 . . . . A 6 VAL HG23 . 30849 1
40 . 1 . 1 7 7 THR H H 1 8.130 0 . 1 . . . . A 7 THR H . 30849 1
41 . 1 . 1 7 7 THR HA H 1 4.464 0 . 1 . . . . A 7 THR HA . 30849 1
42 . 1 . 1 7 7 THR HB H 1 5.111 0 . 1 . . . . A 7 THR HB . 30849 1
43 . 1 . 1 7 7 THR HG21 H 1 0.937 0 . 1 . . . . A 7 THR HG21 . 30849 1
44 . 1 . 1 7 7 THR HG22 H 1 0.937 0 . 1 . . . . A 7 THR HG22 . 30849 1
45 . 1 . 1 7 7 THR HG23 H 1 0.937 0 . 1 . . . . A 7 THR HG23 . 30849 1
46 . 1 . 1 8 8 TYR H H 1 8.604 0 . 1 . . . . A 8 TYR H . 30849 1
47 . 1 . 1 8 8 TYR HA H 1 4.867 0 . 1 . . . . A 8 TYR HA . 30849 1
48 . 1 . 1 8 8 TYR HB2 H 1 2.951 0 . 2 . . . . A 8 TYR HB2 . 30849 1
49 . 1 . 1 8 8 TYR HB3 H 1 2.618 0 . 2 . . . . A 8 TYR HB3 . 30849 1
50 . 1 . 1 8 8 TYR HD1 H 1 7.032 0 . 3 . . . . A 8 TYR HD1 . 30849 1
51 . 1 . 1 8 8 TYR HD2 H 1 7.032 0 . 3 . . . . A 8 TYR HD2 . 30849 1
52 . 1 . 1 8 8 TYR HE1 H 1 6.666 0 . 3 . . . . A 8 TYR HE1 . 30849 1
53 . 1 . 1 8 8 TYR HE2 H 1 6.666 0 . 3 . . . . A 8 TYR HE2 . 30849 1
54 . 1 . 1 9 9 PRO HA H 1 4.33 0 . 1 . . . . A 9 PRO HA . 30849 1
55 . 1 . 1 9 9 PRO HB2 H 1 2.159 0 . 2 . . . . A 9 PRO HB2 . 30849 1
56 . 1 . 1 9 9 PRO HB3 H 1 1.836 0 . 2 . . . . A 9 PRO HB3 . 30849 1
57 . 1 . 1 9 9 PRO HG2 H 1 1.797 0 . 2 . . . . A 9 PRO HG2 . 30849 1
58 . 1 . 1 9 9 PRO HG3 H 1 1.748 0 . 2 . . . . A 9 PRO HG3 . 30849 1
59 . 1 . 1 9 9 PRO HD2 H 1 3.586 0 . 2 . . . . A 9 PRO HD2 . 30849 1
60 . 1 . 1 9 9 PRO HD3 H 1 3.205 0 . 2 . . . . A 9 PRO HD3 . 30849 1
61 . 1 . 1 10 10 ASP H H 1 8.61 0 . 1 . . . . A 10 ASP H . 30849 1
62 . 1 . 1 10 10 ASP HA H 1 4.682 0 . 1 . . . . A 10 ASP HA . 30849 1
63 . 1 . 1 10 10 ASP HB2 H 1 2.814 0 . 2 . . . . A 10 ASP HB2 . 30849 1
64 . 1 . 1 10 10 ASP HB3 H 1 2.657 0 . 2 . . . . A 10 ASP HB3 . 30849 1
65 . 1 . 1 11 11 GLY H H 1 8.301 0 . 1 . . . . A 11 GLY H . 30849 1
66 . 1 . 1 11 11 GLY HA2 H 1 3.919 0 . 2 . . . . A 11 GLY HA2 . 30849 1
67 . 1 . 1 11 11 GLY HA3 H 1 3.772 0 . 2 . . . . A 11 GLY HA3 . 30849 1
68 . 1 . 1 12 12 GLN H H 1 8.172 0 . 1 . . . . A 12 GLN H . 30849 1
69 . 1 . 1 12 12 GLN HA H 1 4.124 0 . 1 . . . . A 12 GLN HA . 30849 1
70 . 1 . 1 12 12 GLN HB2 H 1 2.081 0 . 2 . . . . A 12 GLN HB2 . 30849 1
71 . 1 . 1 12 12 GLN HB3 H 1 1.836 0 . 2 . . . . A 12 GLN HB3 . 30849 1
72 . 1 . 1 12 12 GLN HG2 H 1 2.188 0 . 2 . . . . A 12 GLN HG2 . 30849 1
73 . 1 . 1 12 12 GLN HG3 H 1 2.081 0 . 2 . . . . A 12 GLN HG3 . 30849 1
74 . 1 . 1 13 13 LYS H H 1 7.75 0 . 1 . . . . A 13 LYS H . 30849 1
75 . 1 . 1 13 13 LYS HA H 1 4.525 0 . 1 . . . . A 13 LYS HA . 30849 1
76 . 1 . 1 13 13 LYS HB2 H 1 1.709 0 . 2 . . . . A 13 LYS HB2 . 30849 1
77 . 1 . 1 13 13 LYS HB3 H 1 1.582 0 . 2 . . . . A 13 LYS HB3 . 30849 1
78 . 1 . 1 13 13 LYS HG2 H 1 1.328 0 . 2 . . . . A 13 LYS HG2 . 30849 1
79 . 1 . 1 13 13 LYS HG3 H 1 1.328 0 . 2 . . . . A 13 LYS HG3 . 30849 1
80 . 1 . 1 13 13 LYS HD2 H 1 1.582 0 . 2 . . . . A 13 LYS HD2 . 30849 1
81 . 1 . 1 13 13 LYS HD3 H 1 1.582 0 . 2 . . . . A 13 LYS HD3 . 30849 1
82 . 1 . 1 13 13 LYS HE2 H 1 2.892 0 . 2 . . . . A 13 LYS HE2 . 30849 1
83 . 1 . 1 13 13 LYS HE3 H 1 2.892 0 . 2 . . . . A 13 LYS HE3 . 30849 1
84 . 1 . 1 14 14 PRO HA H 1 4.295 0 . 1 . . . . A 14 PRO HA . 30849 1
85 . 1 . 1 14 14 PRO HB2 H 1 2.19 0 . 2 . . . . A 14 PRO HB2 . 30849 1
86 . 1 . 1 14 14 PRO HB3 H 1 1.826 0 . 2 . . . . A 14 PRO HB3 . 30849 1
87 . 1 . 1 14 14 PRO HG2 H 1 1.973 0 . 2 . . . . A 14 PRO HG2 . 30849 1
88 . 1 . 1 14 14 PRO HG3 H 1 1.905 0 . 2 . . . . A 14 PRO HG3 . 30849 1
89 . 1 . 1 14 14 PRO HD2 H 1 3.682 0 . 2 . . . . A 14 PRO HD2 . 30849 1
90 . 1 . 1 14 14 PRO HD3 H 1 3.537 0 . 2 . . . . A 14 PRO HD3 . 30849 1
91 . 1 . 1 15 15 GLY H H 1 8.50 0 . 1 . . . . A 15 GLY H . 30849 1
92 . 1 . 1 15 15 GLY HA2 H 1 4.002 0 . 2 . . . . A 15 GLY HA2 . 30849 1
93 . 1 . 1 15 15 GLY HA3 H 1 3.814 0 . 2 . . . . A 15 GLY HA3 . 30849 1
94 . 1 . 1 16 16 GLN H H 1 7.894 0 . 1 . . . . A 16 GLN H . 30849 1
95 . 1 . 1 16 16 GLN HA H 1 4.457 0 . 1 . . . . A 16 GLN HA . 30849 1
96 . 1 . 1 16 16 GLN HB2 H 1 2.081 0 . 2 . . . . A 16 GLN HB2 . 30849 1
97 . 1 . 1 16 16 GLN HB3 H 1 1.905 0 . 2 . . . . A 16 GLN HB3 . 30849 1
98 . 1 . 1 16 16 GLN HG2 H 1 2.257 0 . 2 . . . . A 16 GLN HG2 . 30849 1
99 . 1 . 1 16 16 GLN HG3 H 1 2.257 0 . 2 . . . . A 16 GLN HG3 . 30849 1
100 . 1 . 1 17 17 SER H H 1 8.294 0 . 1 . . . . A 17 SER H . 30849 1
101 . 1 . 1 17 17 SER HA H 1 4.642 0 . 1 . . . . A 17 SER HA . 30849 1
102 . 1 . 1 17 17 SER HB2 H 1 3.831 0 . 2 . . . . A 17 SER HB2 . 30849 1
103 . 1 . 1 17 17 SER HB3 H 1 3.772 0 . 2 . . . . A 17 SER HB3 . 30849 1
104 . 1 . 1 18 18 ASP H H 1 8.665 0 . 1 . . . . A 18 ASP H . 30849 1
105 . 1 . 1 18 18 ASP HA H 1 4.897 0 . 1 . . . . A 18 ASP HA . 30849 1
106 . 1 . 1 18 18 ASP HB2 H 1 3.194 0 . 2 . . . . A 18 ASP HB2 . 30849 1
107 . 1 . 1 18 18 ASP HB3 H 1 2.745 0 . 2 . . . . A 18 ASP HB3 . 30849 1
108 . 1 . 1 19 19 VAL H H 1 8.359 0 . 1 . . . . A 19 VAL H . 30849 1
109 . 1 . 1 19 19 VAL HA H 1 4.897 0 . 1 . . . . A 19 VAL HA . 30849 1
110 . 1 . 1 19 19 VAL HB H 1 1.817 0 . 1 . . . . A 19 VAL HB . 30849 1
111 . 1 . 1 19 19 VAL HG11 H 1 0.741 0 . 2 . . . . A 19 VAL HG11 . 30849 1
112 . 1 . 1 19 19 VAL HG12 H 1 0.741 0 . 2 . . . . A 19 VAL HG12 . 30849 1
113 . 1 . 1 19 19 VAL HG13 H 1 0.741 0 . 2 . . . . A 19 VAL HG13 . 30849 1
114 . 1 . 1 19 19 VAL HG21 H 1 0.741 0 . 2 . . . . A 19 VAL HG21 . 30849 1
115 . 1 . 1 19 19 VAL HG22 H 1 0.741 0 . 2 . . . . A 19 VAL HG22 . 30849 1
116 . 1 . 1 19 19 VAL HG23 H 1 0.741 0 . 2 . . . . A 19 VAL HG23 . 30849 1
117 . 1 . 1 20 20 GLU H H 1 8.881 0 . 1 . . . . A 20 GLU H . 30849 1
118 . 1 . 1 20 20 GLU HA H 1 4.623 0 . 1 . . . . A 20 GLU HA . 30849 1
119 . 1 . 1 20 20 GLU HB2 H 1 1.807 0 . 2 . . . . A 20 GLU HB2 . 30849 1
120 . 1 . 1 20 20 GLU HB3 H 1 1.729 0 . 2 . . . . A 20 GLU HB3 . 30849 1
121 . 1 . 1 20 20 GLU HG2 H 1 2.191 0 . 2 . . . . A 20 GLU HG2 . 30849 1
122 . 1 . 1 20 20 GLU HG3 H 1 2.191 0 . 2 . . . . A 20 GLU HG3 . 30849 1
123 . 1 . 1 21 21 LYS H H 1 8.502 0 . 1 . . . . A 21 LYS H . 30849 1
124 . 1 . 1 21 21 LYS HA H 1 4.674 0 . 1 . . . . A 21 LYS HA . 30849 1
125 . 1 . 1 21 21 LYS HB2 H 1 1.875 0 . 2 . . . . A 21 LYS HB2 . 30849 1
126 . 1 . 1 21 21 LYS HB3 H 1 1.68 0 . 2 . . . . A 21 LYS HB3 . 30849 1
127 . 1 . 1 21 21 LYS HG2 H 1 1.445 0 . 2 . . . . A 21 LYS HG2 . 30849 1
128 . 1 . 1 21 21 LYS HG3 H 1 1.445 0 . 2 . . . . A 21 LYS HG3 . 30849 1
129 . 1 . 1 21 21 LYS HD2 H 1 1.622 0 . 2 . . . . A 21 LYS HD2 . 30849 1
130 . 1 . 1 21 21 LYS HD3 H 1 1.622 0 . 2 . . . . A 21 LYS HD3 . 30849 1
131 . 1 . 1 21 21 LYS HE2 H 1 2.915 0 . 2 . . . . A 21 LYS HE2 . 30849 1
132 . 1 . 1 21 21 LYS HE3 H 1 2.915 0 . 2 . . . . A 21 LYS HE3 . 30849 1
133 . 1 . 1 22 22 ASP H H 1 8.077 0 . 1 . . . . A 22 ASP H . 30849 1
134 . 1 . 1 22 22 ASP HA H 1 4.328 0 . 1 . . . . A 22 ASP HA . 30849 1
135 . 1 . 1 22 22 ASP HB2 H 1 3.041 0 . 2 . . . . A 22 ASP HB2 . 30849 1
136 . 1 . 1 22 22 ASP HB3 H 1 2.477 0 . 2 . . . . A 22 ASP HB3 . 30849 1
stop_
save_