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 50609
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 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-13C HSQC' . . . 50609 1
2 '2D 1H-13C HMBC' . . . 50609 1
3 '2D 1H-15N HMBC' . . . 50609 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 . . 50609 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 CYS HA H 1 4.376 0.020 . 1 . . . . . 1 CYS HA . 50609 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.307 0.020 . 2 . . . . . 1 CYS HB2 . 50609 1
3 . 1 . 1 1 1 CYS HB3 H 1 3.116 0.020 . 2 . . . . . 1 CYS HB3 . 50609 1
4 . 1 . 1 1 1 CYS C C 13 171.045 0.3 . 1 . . . . . 1 CYS C . 50609 1
5 . 1 . 1 1 1 CYS CA C 13 54.644 0.3 . 1 . . . . . 1 CYS CA . 50609 1
6 . 1 . 1 1 1 CYS CB C 13 40.634 0.3 . 1 . . . . . 1 CYS CB . 50609 1
7 . 1 . 1 2 2 SER HA H 1 4.626 0.020 . 1 . . . . . 2 SER HA . 50609 1
8 . 1 . 1 2 2 SER HB2 H 1 3.876 0.020 . 1 . . . . . 2 SER HB2 . 50609 1
9 . 1 . 1 2 2 SER HB3 H 1 3.876 0.020 . 1 . . . . . 2 SER HB3 . 50609 1
10 . 1 . 1 2 2 SER C C 13 173.534 0.3 . 1 . . . . . 2 SER C . 50609 1
11 . 1 . 1 2 2 SER CA C 13 58.019 0.3 . 1 . . . . . 2 SER CA . 50609 1
12 . 1 . 1 2 2 SER CB C 13 63.560 0.3 . 1 . . . . . 2 SER CB . 50609 1
13 . 1 . 1 3 3 VAL H H 1 8.237 0.020 . 1 . . . . . 3 VAL H . 50609 1
14 . 1 . 1 3 3 VAL HA H 1 4.210 0.020 . 1 . . . . . 3 VAL HA . 50609 1
15 . 1 . 1 3 3 VAL HB H 1 2.071 0.020 . 1 . . . . . 3 VAL HB . 50609 1
16 . 1 . 1 3 3 VAL HG11 H 1 0.895 0.020 . 1 . . . . . 3 VAL HG1 . 50609 1
17 . 1 . 1 3 3 VAL HG12 H 1 0.895 0.020 . 1 . . . . . 3 VAL HG1 . 50609 1
18 . 1 . 1 3 3 VAL HG13 H 1 0.895 0.020 . 1 . . . . . 3 VAL HG1 . 50609 1
19 . 1 . 1 3 3 VAL HG21 H 1 0.848 0.020 . 1 . . . . . 3 VAL HG2 . 50609 1
20 . 1 . 1 3 3 VAL HG22 H 1 0.848 0.020 . 1 . . . . . 3 VAL HG2 . 50609 1
21 . 1 . 1 3 3 VAL HG23 H 1 0.848 0.020 . 1 . . . . . 3 VAL HG2 . 50609 1
22 . 1 . 1 3 3 VAL C C 13 175.691 0.3 . 1 . . . . . 3 VAL C . 50609 1
23 . 1 . 1 3 3 VAL CA C 13 62.072 0.3 . 1 . . . . . 3 VAL CA . 50609 1
24 . 1 . 1 3 3 VAL CB C 13 32.322 0.3 . 1 . . . . . 3 VAL CB . 50609 1
25 . 1 . 1 3 3 VAL CG1 C 13 19.976 0.3 . 1 . . . . . 3 VAL CG1 . 50609 1
26 . 1 . 1 3 3 VAL CG2 C 13 20.764 0.3 . 1 . . . . . 3 VAL CG2 . 50609 1
27 . 1 . 1 3 3 VAL N N 15 121.473 0.3 . 1 . . . . . 3 VAL N . 50609 1
28 . 1 . 1 4 4 THR H H 1 8.086 0.020 . 1 . . . . . 4 THR H . 50609 1
29 . 1 . 1 4 4 THR HA H 1 4.336 0.020 . 1 . . . . . 4 THR HA . 50609 1
30 . 1 . 1 4 4 THR HB H 1 4.137 0.020 . 1 . . . . . 4 THR HB . 50609 1
31 . 1 . 1 4 4 THR HG21 H 1 1.124 0.020 . 1 . . . . . 4 THR HG2 . 50609 1
32 . 1 . 1 4 4 THR HG22 H 1 1.124 0.020 . 1 . . . . . 4 THR HG2 . 50609 1
33 . 1 . 1 4 4 THR HG23 H 1 1.124 0.020 . 1 . . . . . 4 THR HG2 . 50609 1
34 . 1 . 1 4 4 THR C C 13 173.784 0.3 . 1 . . . . . 4 THR C . 50609 1
35 . 1 . 1 4 4 THR CA C 13 61.185 0.3 . 1 . . . . . 4 THR CA . 50609 1
36 . 1 . 1 4 4 THR CB C 13 69.498 0.3 . 1 . . . . . 4 THR CB . 50609 1
37 . 1 . 1 4 4 THR CG2 C 13 21.124 0.3 . 1 . . . . . 4 THR CG2 . 50609 1
38 . 1 . 1 4 4 THR N N 15 116.553 0.3 . 1 . . . . . 4 THR N . 50609 1
39 . 1 . 1 5 5 TYR H H 1 8.177 0.020 . 1 . . . . . 5 TYR H . 50609 1
40 . 1 . 1 5 5 TYR HA H 1 4.568 0.020 . 1 . . . . . 5 TYR HA . 50609 1
41 . 1 . 1 5 5 TYR HB2 H 1 3.070 0.020 . 2 . . . . . 5 TYR HB2 . 50609 1
42 . 1 . 1 5 5 TYR HB3 H 1 2.994 0.020 . 2 . . . . . 5 TYR HB3 . 50609 1
43 . 1 . 1 5 5 TYR HD1 H 1 7.113 0.020 . 1 . . . . . 5 TYR HD1 . 50609 1
44 . 1 . 1 5 5 TYR HD2 H 1 7.113 0.020 . 1 . . . . . 5 TYR HD2 . 50609 1
45 . 1 . 1 5 5 TYR HE1 H 1 6.817 0.020 . 1 . . . . . 5 TYR HE1 . 50609 1
46 . 1 . 1 5 5 TYR HE2 H 1 6.817 0.020 . 1 . . . . . 5 TYR HE2 . 50609 1
47 . 1 . 1 5 5 TYR C C 13 175.325 0.3 . 1 . . . . . 5 TYR C . 50609 1
48 . 1 . 1 5 5 TYR CA C 13 57.864 0.3 . 1 . . . . . 5 TYR CA . 50609 1
49 . 1 . 1 5 5 TYR CB C 13 38.194 0.3 . 1 . . . . . 5 TYR CB . 50609 1
50 . 1 . 1 5 5 TYR CG C 13 130.167 0.3 . 1 . . . . . 5 TYR CG . 50609 1
51 . 1 . 1 5 5 TYR CD1 C 13 132.790 0.3 . 1 . . . . . 5 TYR CD1 . 50609 1
52 . 1 . 1 5 5 TYR CE1 C 13 117.879 0.3 . 1 . . . . . 5 TYR CE1 . 50609 1
53 . 1 . 1 5 5 TYR CZ C 13 156.918 0.3 . 1 . . . . . 5 TYR CZ . 50609 1
54 . 1 . 1 5 5 TYR N N 15 122.082 0.3 . 1 . . . . . 5 TYR N . 50609 1
55 . 1 . 1 6 6 SER H H 1 8.057 0.020 . 1 . . . . . 6 SER H . 50609 1
56 . 1 . 1 6 6 SER HA H 1 4.425 0.020 . 1 . . . . . 6 SER HA . 50609 1
57 . 1 . 1 6 6 SER HB2 H 1 3.878 0.020 . 2 . . . . . 6 SER HB2 . 50609 1
58 . 1 . 1 6 6 SER HB3 H 1 3.742 0.020 . 2 . . . . . 6 SER HB3 . 50609 1
59 . 1 . 1 6 6 SER C C 13 173.892 0.3 . 1 . . . . . 6 SER C . 50609 1
60 . 1 . 1 6 6 SER CA C 13 57.727 0.3 . 1 . . . . . 6 SER CA . 50609 1
61 . 1 . 1 6 6 SER CB C 13 63.572 0.3 . 1 . . . . . 6 SER CB . 50609 1
62 . 1 . 1 6 6 SER N N 15 116.888 0.3 . 1 . . . . . 6 SER N . 50609 1
63 . 1 . 1 7 7 SER H H 1 8.261 0.020 . 1 . . . . . 7 SER H . 50609 1
64 . 1 . 1 7 7 SER HA H 1 4.467 0.020 . 1 . . . . . 7 SER HA . 50609 1
65 . 1 . 1 7 7 SER HB2 H 1 3.982 0.020 . 2 . . . . . 7 SER HB2 . 50609 1
66 . 1 . 1 7 7 SER HB3 H 1 3.915 0.020 . 2 . . . . . 7 SER HB3 . 50609 1
67 . 1 . 1 7 7 SER C C 13 173.762 0.3 . 1 . . . . . 7 SER C . 50609 1
68 . 1 . 1 7 7 SER CA C 13 58.224 0.3 . 1 . . . . . 7 SER CA . 50609 1
69 . 1 . 1 7 7 SER CB C 13 63.217 0.3 . 1 . . . . . 7 SER CB . 50609 1
70 . 1 . 1 7 7 SER N N 15 117.239 0.3 . 1 . . . . . 7 SER N . 50609 1
71 . 1 . 1 8 8 SER H H 1 8.118 0.020 . 1 . . . . . 8 SER H . 50609 1
72 . 1 . 1 8 8 SER HA H 1 4.826 0.020 . 1 . . . . . 8 SER HA . 50609 1
73 . 1 . 1 8 8 SER HB2 H 1 3.891 0.020 . 1 . . . . . 8 SER HB2 . 50609 1
74 . 1 . 1 8 8 SER HB3 H 1 3.891 0.020 . 1 . . . . . 8 SER HB3 . 50609 1
75 . 1 . 1 8 8 SER C C 13 172.698 0.3 . 1 . . . . . 8 SER C . 50609 1
76 . 1 . 1 8 8 SER CA C 13 55.842 0.3 . 1 . . . . . 8 SER CA . 50609 1
77 . 1 . 1 8 8 SER CB C 13 63.192 0.3 . 1 . . . . . 8 SER CB . 50609 1
78 . 1 . 1 8 8 SER N N 15 118.031 0.3 . 1 . . . . . 8 SER N . 50609 1
79 . 1 . 1 9 9 PRO HA H 1 4.360 0.020 . 1 . . . . . 9 PRO HA . 50609 1
80 . 1 . 1 9 9 PRO HB2 H 1 2.293 0.020 . 2 . . . . . 9 PRO HB2 . 50609 1
81 . 1 . 1 9 9 PRO HB3 H 1 1.959 0.020 . 2 . . . . . 9 PRO HB3 . 50609 1
82 . 1 . 1 9 9 PRO HG2 H 1 2.026 0.020 . 1 . . . . . 9 PRO HG2 . 50609 1
83 . 1 . 1 9 9 PRO HG3 H 1 2.026 0.020 . 1 . . . . . 9 PRO HG3 . 50609 1
84 . 1 . 1 9 9 PRO HD2 H 1 3.805 0.020 . 1 . . . . . 9 PRO HD2 . 50609 1
85 . 1 . 1 9 9 PRO HD3 H 1 3.805 0.020 . 1 . . . . . 9 PRO HD3 . 50609 1
86 . 1 . 1 9 9 PRO C C 13 176.995 0.3 . 1 . . . . . 9 PRO C . 50609 1
87 . 1 . 1 9 9 PRO CA C 13 63.794 0.3 . 1 . . . . . 9 PRO CA . 50609 1
88 . 1 . 1 9 9 PRO CB C 13 31.491 0.3 . 1 . . . . . 9 PRO CB . 50609 1
89 . 1 . 1 9 9 PRO CG C 13 26.980 0.3 . 1 . . . . . 9 PRO CG . 50609 1
90 . 1 . 1 9 9 PRO CD C 13 50.353 0.3 . 1 . . . . . 9 PRO CD . 50609 1
91 . 1 . 1 10 10 GLU H H 1 8.388 0.020 . 1 . . . . . 10 GLU H . 50609 1
92 . 1 . 1 10 10 GLU HA H 1 4.236 0.020 . 1 . . . . . 10 GLU HA . 50609 1
93 . 1 . 1 10 10 GLU HB2 H 1 2.027 0.020 . 2 . . . . . 10 GLU HB2 . 50609 1
94 . 1 . 1 10 10 GLU HB3 H 1 1.890 0.020 . 2 . . . . . 10 GLU HB3 . 50609 1
95 . 1 . 1 10 10 GLU HG2 H 1 2.276 0.020 . 1 . . . . . 10 GLU HG2 . 50609 1
96 . 1 . 1 10 10 GLU HG3 H 1 2.276 0.020 . 1 . . . . . 10 GLU HG3 . 50609 1
97 . 1 . 1 10 10 GLU C C 13 175.824 0.3 . 1 . . . . . 10 GLU C . 50609 1
98 . 1 . 1 10 10 GLU CA C 13 56.458 0.3 . 1 . . . . . 10 GLU CA . 50609 1
99 . 1 . 1 10 10 GLU CB C 13 29.139 0.3 . 1 . . . . . 10 GLU CB . 50609 1
100 . 1 . 1 10 10 GLU CG C 13 35.560 0.3 . 1 . . . . . 10 GLU CG . 50609 1
101 . 1 . 1 10 10 GLU CD C 13 183.265 0.3 . 1 . . . . . 10 GLU CD . 50609 1
102 . 1 . 1 10 10 GLU N N 15 118.488 0.3 . 1 . . . . . 10 GLU N . 50609 1
103 . 1 . 1 11 11 ALA H H 1 7.930 0.020 . 1 . . . . . 11 ALA H . 50609 1
104 . 1 . 1 11 11 ALA HA H 1 4.279 0.020 . 1 . . . . . 11 ALA HA . 50609 1
105 . 1 . 1 11 11 ALA HB1 H 1 1.324 0.020 . 1 . . . . . 11 ALA HB . 50609 1
106 . 1 . 1 11 11 ALA HB2 H 1 1.324 0.020 . 1 . . . . . 11 ALA HB . 50609 1
107 . 1 . 1 11 11 ALA HB3 H 1 1.324 0.020 . 1 . . . . . 11 ALA HB . 50609 1
108 . 1 . 1 11 11 ALA C C 13 176.751 0.3 . 1 . . . . . 11 ALA C . 50609 1
109 . 1 . 1 11 11 ALA CA C 13 52.221 0.3 . 1 . . . . . 11 ALA CA . 50609 1
110 . 1 . 1 11 11 ALA CB C 13 18.829 0.3 . 1 . . . . . 11 ALA CB . 50609 1
111 . 1 . 1 11 11 ALA N N 15 123.437 0.3 . 1 . . . . . 11 ALA N . 50609 1
112 . 1 . 1 12 12 TYR H H 1 7.902 0.020 . 1 . . . . . 12 TYR H . 50609 1
113 . 1 . 1 12 12 TYR HA H 1 4.614 0.020 . 1 . . . . . 12 TYR HA . 50609 1
114 . 1 . 1 12 12 TYR HB2 H 1 3.094 0.020 . 2 . . . . . 12 TYR HB2 . 50609 1
115 . 1 . 1 12 12 TYR HB3 H 1 2.981 0.020 . 2 . . . . . 12 TYR HB3 . 50609 1
116 . 1 . 1 12 12 TYR HD1 H 1 7.130 0.020 . 1 . . . . . 12 TYR HD1 . 50609 1
117 . 1 . 1 12 12 TYR HD2 H 1 7.130 0.020 . 1 . . . . . 12 TYR HD2 . 50609 1
118 . 1 . 1 12 12 TYR HE1 H 1 6.841 0.020 . 1 . . . . . 12 TYR HE1 . 50609 1
119 . 1 . 1 12 12 TYR HE2 H 1 6.841 0.020 . 1 . . . . . 12 TYR HE2 . 50609 1
120 . 1 . 1 12 12 TYR C C 13 175.404 0.3 . 1 . . . . . 12 TYR C . 50609 1
121 . 1 . 1 12 12 TYR CA C 13 57.450 0.3 . 1 . . . . . 12 TYR CA . 50609 1
122 . 1 . 1 12 12 TYR CB C 13 38.393 0.3 . 1 . . . . . 12 TYR CB . 50609 1
123 . 1 . 1 12 12 TYR CG C 13 130.286 0.3 . 1 . . . . . 12 TYR CG . 50609 1
124 . 1 . 1 12 12 TYR CD1 C 13 132.872 0.3 . 1 . . . . . 12 TYR CD1 . 50609 1
125 . 1 . 1 12 12 TYR CE1 C 13 117.950 0.3 . 1 . . . . . 12 TYR CE1 . 50609 1
126 . 1 . 1 12 12 TYR CZ C 13 156.861 0.3 . 1 . . . . . 12 TYR CZ . 50609 1
127 . 1 . 1 12 12 TYR N N 15 118.305 0.3 . 1 . . . . . 12 TYR N . 50609 1
128 . 1 . 1 13 13 GLU H H 1 8.073 0.020 . 1 . . . . . 13 GLU H . 50609 1
129 . 1 . 1 13 13 GLU HA H 1 4.313 0.020 . 1 . . . . . 13 GLU HA . 50609 1
130 . 1 . 1 13 13 GLU HB2 H 1 2.062 0.020 . 2 . . . . . 13 GLU HB2 . 50609 1
131 . 1 . 1 13 13 GLU HB3 H 1 1.925 0.020 . 2 . . . . . 13 GLU HB3 . 50609 1
132 . 1 . 1 13 13 GLU HG2 H 1 2.254 0.020 . 1 . . . . . 13 GLU HG2 . 50609 1
133 . 1 . 1 13 13 GLU HG3 H 1 2.254 0.020 . 1 . . . . . 13 GLU HG3 . 50609 1
134 . 1 . 1 13 13 GLU C C 13 175.101 0.3 . 1 . . . . . 13 GLU C . 50609 1
135 . 1 . 1 13 13 GLU CA C 13 56.046 0.3 . 1 . . . . . 13 GLU CA . 50609 1
136 . 1 . 1 13 13 GLU CB C 13 30.191 0.3 . 1 . . . . . 13 GLU CB . 50609 1
137 . 1 . 1 13 13 GLU CG C 13 35.247 0.3 . 1 . . . . . 13 GLU CG . 50609 1
138 . 1 . 1 13 13 GLU CD C 13 182.669 0.3 . 1 . . . . . 13 GLU CD . 50609 1
139 . 1 . 1 13 13 GLU N N 15 121.732 0.3 . 1 . . . . . 13 GLU N . 50609 1
140 . 1 . 1 14 14 ASP H H 1 8.296 0.020 . 1 . . . . . 14 ASP H . 50609 1
141 . 1 . 1 14 14 ASP HA H 1 4.691 0.020 . 1 . . . . . 14 ASP HA . 50609 1
142 . 1 . 1 14 14 ASP HB2 H 1 2.764 0.020 . 2 . . . . . 14 ASP HB2 . 50609 1
143 . 1 . 1 14 14 ASP HB3 H 1 2.673 0.020 . 2 . . . . . 14 ASP HB3 . 50609 1
144 . 1 . 1 14 14 ASP C C 13 174.745 0.3 . 1 . . . . . 14 ASP C . 50609 1
145 . 1 . 1 14 14 ASP CA C 13 53.611 0.3 . 1 . . . . . 14 ASP CA . 50609 1
146 . 1 . 1 14 14 ASP CB C 13 40.270 0.3 . 1 . . . . . 14 ASP CB . 50609 1
147 . 1 . 1 14 14 ASP CG C 13 179.917 0.3 . 1 . . . . . 14 ASP CG . 50609 1
148 . 1 . 1 14 14 ASP N N 15 120.879 0.3 . 1 . . . . . 14 ASP N . 50609 1
149 . 1 . 1 15 15 CYS H H 1 7.915 0.020 . 1 . . . . . 15 CYS H . 50609 1
150 . 1 . 1 15 15 CYS HA H 1 4.482 0.020 . 1 . . . . . 15 CYS HA . 50609 1
151 . 1 . 1 15 15 CYS HB2 H 1 3.291 0.020 . 2 . . . . . 15 CYS HB2 . 50609 1
152 . 1 . 1 15 15 CYS HB3 H 1 3.120 0.020 . 2 . . . . . 15 CYS HB3 . 50609 1
153 . 1 . 1 15 15 CYS C C 13 178.319 0.3 . 1 . . . . . 15 CYS C . 50609 1
154 . 1 . 1 15 15 CYS CA C 13 56.669 0.3 . 1 . . . . . 15 CYS CA . 50609 1
155 . 1 . 1 15 15 CYS CB C 13 43.190 0.3 . 1 . . . . . 15 CYS CB . 50609 1
156 . 1 . 1 15 15 CYS N N 15 123.411 0.3 . 1 . . . . . 15 CYS N . 50609 1
stop_
save_