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 30992
_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 NOESY' . . . 30992 1
2 '2D TOCSY' . . . 30992 1
3 '2D 1H-13C HSQC' . . . 30992 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 SER HA H 1 4.256 0.001 . 1 . . . . A 1 SER HA . 30992 1
2 . 1 . 1 1 1 SER HB2 H 1 3.963 0.004 . 2 . . . . A 1 SER HB2 . 30992 1
3 . 1 . 1 1 1 SER HB3 H 1 4.051 0.005 . 2 . . . . A 1 SER HB3 . 30992 1
4 . 1 . 1 1 1 SER CA C 13 57.774 0.000 . 1 . . . . A 1 SER CA . 30992 1
5 . 1 . 1 1 1 SER CB C 13 63.388 0.010 . 1 . . . . A 1 SER CB . 30992 1
6 . 1 . 1 2 2 THR H H 1 8.930 0.003 . 1 . . . . A 2 THR H . 30992 1
7 . 1 . 1 2 2 THR HA H 1 4.581 0.001 . 1 . . . . A 2 THR HA . 30992 1
8 . 1 . 1 2 2 THR HB H 1 4.066 0.003 . 1 . . . . A 2 THR HB . 30992 1
9 . 1 . 1 2 2 THR HG21 H 1 1.187 0.003 . 1 . . . . A 2 THR HG21 . 30992 1
10 . 1 . 1 2 2 THR HG22 H 1 1.187 0.003 . 1 . . . . A 2 THR HG22 . 30992 1
11 . 1 . 1 2 2 THR HG23 H 1 1.187 0.003 . 1 . . . . A 2 THR HG23 . 30992 1
12 . 1 . 1 2 2 THR CA C 13 62.527 0.000 . 1 . . . . A 2 THR CA . 30992 1
13 . 1 . 1 2 2 THR CB C 13 70.560 0.000 . 1 . . . . A 2 THR CB . 30992 1
14 . 1 . 1 2 2 THR CG2 C 13 22.546 0.000 . 1 . . . . A 2 THR CG2 . 30992 1
15 . 1 . 1 3 3 CYS H H 1 9.249 0.008 . 1 . . . . A 3 CYS H . 30992 1
16 . 1 . 1 3 3 CYS HA H 1 5.032 0.005 . 1 . . . . A 3 CYS HA . 30992 1
17 . 1 . 1 3 3 CYS HB2 H 1 3.064 0.003 . 2 . . . . A 3 CYS HB2 . 30992 1
18 . 1 . 1 3 3 CYS HB3 H 1 3.109 0.003 . 2 . . . . A 3 CYS HB3 . 30992 1
19 . 1 . 1 3 3 CYS CA C 13 58.621 0.000 . 1 . . . . A 3 CYS CA . 30992 1
20 . 1 . 1 3 3 CYS CB C 13 40.553 0.003 . 1 . . . . A 3 CYS CB . 30992 1
21 . 1 . 1 4 4 CYS H H 1 9.051 0.003 . 1 . . . . A 4 CYS H . 30992 1
22 . 1 . 1 4 4 CYS HA H 1 5.097 0.005 . 1 . . . . A 4 CYS HA . 30992 1
23 . 1 . 1 4 4 CYS HB2 H 1 3.121 0.005 . 2 . . . . A 4 CYS HB2 . 30992 1
24 . 1 . 1 4 4 CYS HB3 H 1 3.221 0.002 . 2 . . . . A 4 CYS HB3 . 30992 1
25 . 1 . 1 4 4 CYS CA C 13 56.069 0.000 . 1 . . . . A 4 CYS CA . 30992 1
26 . 1 . 1 4 4 CYS CB C 13 45.323 0.005 . 1 . . . . A 4 CYS CB . 30992 1
27 . 1 . 1 5 5 GLY H H 1 8.492 0.003 . 1 . . . . A 5 GLY H . 30992 1
28 . 1 . 1 5 5 GLY HA2 H 1 3.720 0.001 . 2 . . . . A 5 GLY HA2 . 30992 1
29 . 1 . 1 5 5 GLY HA3 H 1 4.333 0.004 . 2 . . . . A 5 GLY HA3 . 30992 1
30 . 1 . 1 5 5 GLY CA C 13 45.088 0.000 . 1 . . . . A 5 GLY CA . 30992 1
31 . 1 . 1 6 6 TYR HA H 1 4.594 0.008 . 1 . . . . A 6 TYR HA . 30992 1
32 . 1 . 1 6 6 TYR HB2 H 1 3.109 0.002 . 1 . . . . A 6 TYR HB2 . 30992 1
33 . 1 . 1 6 6 TYR HB3 H 1 3.109 0.002 . 1 . . . . A 6 TYR HB3 . 30992 1
34 . 1 . 1 6 6 TYR HD1 H 1 7.176 0.003 . 1 . . . . A 6 TYR HD1 . 30992 1
35 . 1 . 1 6 6 TYR HD2 H 1 7.176 0.003 . 1 . . . . A 6 TYR HD2 . 30992 1
36 . 1 . 1 6 6 TYR HE1 H 1 6.862 0.004 . 1 . . . . A 6 TYR HE1 . 30992 1
37 . 1 . 1 6 6 TYR HE2 H 1 6.862 0.004 . 1 . . . . A 6 TYR HE2 . 30992 1
38 . 1 . 1 6 6 TYR CA C 13 58.966 0.000 . 1 . . . . A 6 TYR CA . 30992 1
39 . 1 . 1 6 6 TYR CB C 13 38.408 0.000 . 1 . . . . A 6 TYR CB . 30992 1
40 . 1 . 1 6 6 TYR CD1 C 13 133.585 0.000 . 1 . . . . A 6 TYR CD1 . 30992 1
41 . 1 . 1 6 6 TYR CD2 C 13 133.585 0.000 . 1 . . . . A 6 TYR CD2 . 30992 1
42 . 1 . 1 6 6 TYR CE1 C 13 118.576 0.000 . 1 . . . . A 6 TYR CE1 . 30992 1
43 . 1 . 1 6 6 TYR CE2 C 13 118.576 0.000 . 1 . . . . A 6 TYR CE2 . 30992 1
44 . 1 . 1 7 7 ARG H H 1 8.603 0.002 . 1 . . . . A 7 ARG H . 30992 1
45 . 1 . 1 7 7 ARG HA H 1 4.099 0.002 . 1 . . . . A 7 ARG HA . 30992 1
46 . 1 . 1 7 7 ARG HB2 H 1 1.818 0.010 . 1 . . . . A 7 ARG HB2 . 30992 1
47 . 1 . 1 7 7 ARG HB3 H 1 1.818 0.010 . 1 . . . . A 7 ARG HB3 . 30992 1
48 . 1 . 1 7 7 ARG HG2 H 1 1.424 0.006 . 1 . . . . A 7 ARG HG2 . 30992 1
49 . 1 . 1 7 7 ARG HG3 H 1 1.424 0.006 . 1 . . . . A 7 ARG HG3 . 30992 1
50 . 1 . 1 7 7 ARG HD2 H 1 3.148 0.004 . 1 . . . . A 7 ARG HD2 . 30992 1
51 . 1 . 1 7 7 ARG HD3 H 1 3.148 0.004 . 1 . . . . A 7 ARG HD3 . 30992 1
52 . 1 . 1 7 7 ARG HE H 1 7.226 0.003 . 1 . . . . A 7 ARG HE . 30992 1
53 . 1 . 1 7 7 ARG CA C 13 57.943 0.000 . 1 . . . . A 7 ARG CA . 30992 1
54 . 1 . 1 7 7 ARG CB C 13 30.710 0.000 . 1 . . . . A 7 ARG CB . 30992 1
55 . 1 . 1 7 7 ARG CG C 13 27.563 0.000 . 1 . . . . A 7 ARG CG . 30992 1
56 . 1 . 1 7 7 ARG CD C 13 43.462 0.000 . 1 . . . . A 7 ARG CD . 30992 1
57 . 1 . 1 8 8 MET H H 1 8.150 0.007 . 1 . . . . A 8 MET H . 30992 1
58 . 1 . 1 8 8 MET HA H 1 4.588 0.001 . 1 . . . . A 8 MET HA . 30992 1
59 . 1 . 1 8 8 MET HB2 H 1 2.150 0.003 . 1 . . . . A 8 MET HB2 . 30992 1
60 . 1 . 1 8 8 MET HB3 H 1 2.150 0.003 . 1 . . . . A 8 MET HB3 . 30992 1
61 . 1 . 1 8 8 MET HG2 H 1 2.492 0.004 . 1 . . . . A 8 MET HG2 . 30992 1
62 . 1 . 1 8 8 MET HG3 H 1 2.492 0.004 . 1 . . . . A 8 MET HG3 . 30992 1
63 . 1 . 1 8 8 MET HE1 H 1 2.086 0.000 . 1 . . . . A 8 MET HE1 . 30992 1
64 . 1 . 1 8 8 MET HE2 H 1 2.086 0.000 . 1 . . . . A 8 MET HE2 . 30992 1
65 . 1 . 1 8 8 MET HE3 H 1 2.086 0.000 . 1 . . . . A 8 MET HE3 . 30992 1
66 . 1 . 1 8 8 MET CB C 13 33.256 0.000 . 1 . . . . A 8 MET CB . 30992 1
67 . 1 . 1 8 8 MET CG C 13 31.825 0.000 . 1 . . . . A 8 MET CG . 30992 1
68 . 1 . 1 8 8 MET CE C 13 17.034 0.000 . 1 . . . . A 8 MET CE . 30992 1
69 . 1 . 1 9 9 CYS H H 1 8.525 0.006 . 1 . . . . A 9 CYS H . 30992 1
70 . 1 . 1 9 9 CYS HA H 1 5.041 0.003 . 1 . . . . A 9 CYS HA . 30992 1
71 . 1 . 1 9 9 CYS HB2 H 1 2.784 0.005 . 2 . . . . A 9 CYS HB2 . 30992 1
72 . 1 . 1 9 9 CYS HB3 H 1 3.048 0.003 . 2 . . . . A 9 CYS HB3 . 30992 1
73 . 1 . 1 9 9 CYS CA C 13 56.748 0.000 . 1 . . . . A 9 CYS CA . 30992 1
74 . 1 . 1 9 9 CYS CB C 13 47.143 0.031 . 1 . . . . A 9 CYS CB . 30992 1
75 . 1 . 1 10 10 VAL H H 1 8.594 0.004 . 1 . . . . A 10 VAL H . 30992 1
76 . 1 . 1 10 10 VAL HA H 1 4.712 0.002 . 1 . . . . A 10 VAL HA . 30992 1
77 . 1 . 1 10 10 VAL HB H 1 2.239 0.002 . 1 . . . . A 10 VAL HB . 30992 1
78 . 1 . 1 10 10 VAL HG11 H 1 0.919 0.002 . 2 . . . . A 10 VAL HG11 . 30992 1
79 . 1 . 1 10 10 VAL HG12 H 1 0.919 0.002 . 2 . . . . A 10 VAL HG12 . 30992 1
80 . 1 . 1 10 10 VAL HG13 H 1 0.919 0.002 . 2 . . . . A 10 VAL HG13 . 30992 1
81 . 1 . 1 10 10 VAL HG21 H 1 0.981 0.002 . 2 . . . . A 10 VAL HG21 . 30992 1
82 . 1 . 1 10 10 VAL HG22 H 1 0.981 0.002 . 2 . . . . A 10 VAL HG22 . 30992 1
83 . 1 . 1 10 10 VAL HG23 H 1 0.981 0.002 . 2 . . . . A 10 VAL HG23 . 30992 1
84 . 1 . 1 10 10 VAL CA C 13 58.970 0.000 . 1 . . . . A 10 VAL CA . 30992 1
85 . 1 . 1 10 10 VAL CB C 13 33.361 0.000 . 1 . . . . A 10 VAL CB . 30992 1
86 . 1 . 1 10 10 VAL CG1 C 13 19.228 0.000 . 2 . . . . A 10 VAL CG1 . 30992 1
87 . 1 . 1 10 10 VAL CG2 C 13 22.002 0.000 . 2 . . . . A 10 VAL CG2 . 30992 1
88 . 1 . 1 11 11 PRO HA H 1 4.745 0.002 . 1 . . . . A 11 PRO HA . 30992 1
89 . 1 . 1 11 11 PRO HB2 H 1 1.864 0.004 . 2 . . . . A 11 PRO HB2 . 30992 1
90 . 1 . 1 11 11 PRO HB3 H 1 2.380 0.003 . 2 . . . . A 11 PRO HB3 . 30992 1
91 . 1 . 1 11 11 PRO HG2 H 1 1.994 0.003 . 2 . . . . A 11 PRO HG2 . 30992 1
92 . 1 . 1 11 11 PRO HG3 H 1 2.116 0.003 . 2 . . . . A 11 PRO HG3 . 30992 1
93 . 1 . 1 11 11 PRO HD2 H 1 3.668 0.004 . 2 . . . . A 11 PRO HD2 . 30992 1
94 . 1 . 1 11 11 PRO HD3 H 1 3.876 0.002 . 2 . . . . A 11 PRO HD3 . 30992 1
95 . 1 . 1 11 11 PRO CA C 13 63.315 0.000 . 1 . . . . A 11 PRO CA . 30992 1
96 . 1 . 1 11 11 PRO CB C 13 32.072 0.034 . 1 . . . . A 11 PRO CB . 30992 1
97 . 1 . 1 11 11 PRO CG C 13 28.173 0.018 . 1 . . . . A 11 PRO CG . 30992 1
98 . 1 . 1 11 11 PRO CD C 13 50.969 0.010 . 1 . . . . A 11 PRO CD . 30992 1
99 . 1 . 1 12 12 CYS H H 1 8.723 0.003 . 1 . . . . A 12 CYS H . 30992 1
100 . 1 . 1 12 12 CYS HA H 1 4.612 0.004 . 1 . . . . A 12 CYS HA . 30992 1
101 . 1 . 1 12 12 CYS HB2 H 1 2.936 0.002 . 2 . . . . A 12 CYS HB2 . 30992 1
102 . 1 . 1 12 12 CYS HB3 H 1 3.244 0.005 . 2 . . . . A 12 CYS HB3 . 30992 1
103 . 1 . 1 12 12 CYS CA C 13 55.351 0.000 . 1 . . . . A 12 CYS CA . 30992 1
104 . 1 . 1 12 12 CYS CB C 13 42.258 0.031 . 1 . . . . A 12 CYS CB . 30992 1
105 . 1 . 1 13 13 NH2 HN1 H 1 7.353 0.001 . 1 . . . . A 13 NH2 HN1 . 30992 1
106 . 1 . 1 13 13 NH2 HN2 H 1 7.888 0.002 . 1 . . . . A 13 NH2 HN2 . 30992 1
stop_
save_