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 50608
_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' . . . 50608 1
2 '2D 1H-13C HMBC' . . . 50608 1
3 '2D 1H-15N HMBC' . . . 50608 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 . . 50608 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 4.279 0.020 . 1 . . . . . 1 CYS HA . 50608 1
2 . 1 . 1 1 1 CYS HB2 H 1 3.127 0.020 . 2 . . . . . 1 CYS HB2 . 50608 1
3 . 1 . 1 1 1 CYS HB3 H 1 3.100 0.020 . 2 . . . . . 1 CYS HB3 . 50608 1
4 . 1 . 1 1 1 CYS C C 13 170.953 0.3 . 1 . . . . . 1 CYS C . 50608 1
5 . 1 . 1 1 1 CYS CA C 13 56.840 0.3 . 1 . . . . . 1 CYS CA . 50608 1
6 . 1 . 1 1 1 CYS CB C 13 27.636 0.3 . 1 . . . . . 1 CYS CB . 50608 1
7 . 1 . 1 2 2 SER HA H 1 4.602 0.020 . 1 . . . . . 2 SER HA . 50608 1
8 . 1 . 1 2 2 SER HB2 H 1 3.891 0.020 . 1 . . . . . 2 SER HB2 . 50608 1
9 . 1 . 1 2 2 SER HB3 H 1 3.891 0.020 . 1 . . . . . 2 SER HB3 . 50608 1
10 . 1 . 1 2 2 SER C C 13 173.615 0.3 . 1 . . . . . 2 SER C . 50608 1
11 . 1 . 1 2 2 SER CA C 13 57.985 0.3 . 1 . . . . . 2 SER CA . 50608 1
12 . 1 . 1 2 2 SER CB C 13 63.439 0.3 . 1 . . . . . 2 SER CB . 50608 1
13 . 1 . 1 3 3 VAL H H 1 8.272 0.020 . 1 . . . . . 3 VAL H . 50608 1
14 . 1 . 1 3 3 VAL HA H 1 4.204 0.020 . 1 . . . . . 3 VAL HA . 50608 1
15 . 1 . 1 3 3 VAL HB H 1 2.043 0.020 . 1 . . . . . 3 VAL HB . 50608 1
16 . 1 . 1 3 3 VAL HG11 H 1 0.907 0.020 . 1 . . . . . 3 VAL HG1 . 50608 1
17 . 1 . 1 3 3 VAL HG12 H 1 0.907 0.020 . 1 . . . . . 3 VAL HG1 . 50608 1
18 . 1 . 1 3 3 VAL HG13 H 1 0.907 0.020 . 1 . . . . . 3 VAL HG1 . 50608 1
19 . 1 . 1 3 3 VAL HG21 H 1 0.845 0.020 . 1 . . . . . 3 VAL HG2 . 50608 1
20 . 1 . 1 3 3 VAL HG22 H 1 0.845 0.020 . 1 . . . . . 3 VAL HG2 . 50608 1
21 . 1 . 1 3 3 VAL HG23 H 1 0.845 0.020 . 1 . . . . . 3 VAL HG2 . 50608 1
22 . 1 . 1 3 3 VAL C C 13 175.551 0.3 . 1 . . . . . 3 VAL C . 50608 1
23 . 1 . 1 3 3 VAL CA C 13 61.921 0.3 . 1 . . . . . 3 VAL CA . 50608 1
24 . 1 . 1 3 3 VAL CB C 13 32.549 0.3 . 1 . . . . . 3 VAL CB . 50608 1
25 . 1 . 1 3 3 VAL CG1 C 13 19.976 0.3 . 1 . . . . . 3 VAL CG1 . 50608 1
26 . 1 . 1 3 3 VAL CG2 C 13 20.654 0.3 . 1 . . . . . 3 VAL CG2 . 50608 1
27 . 1 . 1 3 3 VAL N N 15 122.012 0.3 . 1 . . . . . 3 VAL N . 50608 1
28 . 1 . 1 4 4 THR H H 1 8.149 0.020 . 1 . . . . . 4 THR H . 50608 1
29 . 1 . 1 4 4 THR HA H 1 4.322 0.020 . 1 . . . . . 4 THR HA . 50608 1
30 . 1 . 1 4 4 THR HB H 1 4.125 0.020 . 1 . . . . . 4 THR HB . 50608 1
31 . 1 . 1 4 4 THR HG21 H 1 1.142 0.020 . 1 . . . . . 4 THR HG2 . 50608 1
32 . 1 . 1 4 4 THR HG22 H 1 1.142 0.020 . 1 . . . . . 4 THR HG2 . 50608 1
33 . 1 . 1 4 4 THR HG23 H 1 1.142 0.020 . 1 . . . . . 4 THR HG2 . 50608 1
34 . 1 . 1 4 4 THR C C 13 173.519 0.3 . 1 . . . . . 4 THR C . 50608 1
35 . 1 . 1 4 4 THR CA C 13 61.203 0.3 . 1 . . . . . 4 THR CA . 50608 1
36 . 1 . 1 4 4 THR CB C 13 69.498 0.3 . 1 . . . . . 4 THR CB . 50608 1
37 . 1 . 1 4 4 THR CG2 C 13 21.124 0.3 . 1 . . . . . 4 THR CG2 . 50608 1
38 . 1 . 1 4 4 THR N N 15 117.844 0.3 . 1 . . . . . 4 THR N . 50608 1
39 . 1 . 1 5 5 TYR H H 1 8.232 0.020 . 1 . . . . . 5 TYR H . 50608 1
40 . 1 . 1 5 5 TYR HA H 1 4.636 0.020 . 1 . . . . . 5 TYR HA . 50608 1
41 . 1 . 1 5 5 TYR HB2 H 1 3.091 0.020 . 2 . . . . . 5 TYR HB2 . 50608 1
42 . 1 . 1 5 5 TYR HB3 H 1 2.965 0.020 . 2 . . . . . 5 TYR HB3 . 50608 1
43 . 1 . 1 5 5 TYR HD1 H 1 7.113 0.020 . 1 . . . . . 5 TYR HD1 . 50608 1
44 . 1 . 1 5 5 TYR HD2 H 1 7.113 0.020 . 1 . . . . . 5 TYR HD2 . 50608 1
45 . 1 . 1 5 5 TYR HE1 H 1 6.817 0.020 . 1 . . . . . 5 TYR HE1 . 50608 1
46 . 1 . 1 5 5 TYR HE2 H 1 6.817 0.020 . 1 . . . . . 5 TYR HE2 . 50608 1
47 . 1 . 1 5 5 TYR C C 13 175.195 0.3 . 1 . . . . . 5 TYR C . 50608 1
48 . 1 . 1 5 5 TYR CA C 13 57.466 0.3 . 1 . . . . . 5 TYR CA . 50608 1
49 . 1 . 1 5 5 TYR CB C 13 38.597 0.3 . 1 . . . . . 5 TYR CB . 50608 1
50 . 1 . 1 5 5 TYR CG C 13 130.167 0.3 . 1 . . . . . 5 TYR CG . 50608 1
51 . 1 . 1 5 5 TYR CD1 C 13 132.790 0.3 . 1 . . . . . 5 TYR CD1 . 50608 1
52 . 1 . 1 5 5 TYR CE1 C 13 117.879 0.3 . 1 . . . . . 5 TYR CE1 . 50608 1
53 . 1 . 1 5 5 TYR CZ C 13 156.918 0.3 . 1 . . . . . 5 TYR CZ . 50608 1
54 . 1 . 1 5 5 TYR N N 15 122.997 0.3 . 1 . . . . . 5 TYR N . 50608 1
55 . 1 . 1 6 6 SER H H 1 8.215 0.020 . 1 . . . . . 6 SER H . 50608 1
56 . 1 . 1 6 6 SER HA H 1 4.473 0.020 . 1 . . . . . 6 SER HA . 50608 1
57 . 1 . 1 6 6 SER HB2 H 1 3.878 0.020 . 2 . . . . . 6 SER HB2 . 50608 1
58 . 1 . 1 6 6 SER HB3 H 1 3.805 0.020 . 2 . . . . . 6 SER HB3 . 50608 1
59 . 1 . 1 6 6 SER C C 13 173.770 0.3 . 1 . . . . . 6 SER C . 50608 1
60 . 1 . 1 6 6 SER CA C 13 57.670 0.3 . 1 . . . . . 6 SER CA . 50608 1
61 . 1 . 1 6 6 SER CB C 13 63.607 0.3 . 1 . . . . . 6 SER CB . 50608 1
62 . 1 . 1 6 6 SER N N 15 117.498 0.3 . 1 . . . . . 6 SER N . 50608 1
63 . 1 . 1 7 7 SER H H 1 8.295 0.020 . 1 . . . . . 7 SER H . 50608 1
64 . 1 . 1 7 7 SER HA H 1 4.504 0.020 . 1 . . . . . 7 SER HA . 50608 1
65 . 1 . 1 7 7 SER HB2 H 1 3.923 0.020 . 2 . . . . . 7 SER HB2 . 50608 1
66 . 1 . 1 7 7 SER HB3 H 1 3.900 0.020 . 2 . . . . . 7 SER HB3 . 50608 1
67 . 1 . 1 7 7 SER C C 13 173.686 0.3 . 1 . . . . . 7 SER C . 50608 1
68 . 1 . 1 7 7 SER CA C 13 57.888 0.3 . 1 . . . . . 7 SER CA . 50608 1
69 . 1 . 1 7 7 SER CB C 13 63.483 0.3 . 1 . . . . . 7 SER CB . 50608 1
70 . 1 . 1 7 7 SER N N 15 117.818 0.3 . 1 . . . . . 7 SER N . 50608 1
71 . 1 . 1 8 8 SER H H 1 8.271 0.020 . 1 . . . . . 8 SER H . 50608 1
72 . 1 . 1 8 8 SER HA H 1 4.807 0.020 . 1 . . . . . 8 SER HA . 50608 1
73 . 1 . 1 8 8 SER HB2 H 1 3.876 0.020 . 1 . . . . . 8 SER HB2 . 50608 1
74 . 1 . 1 8 8 SER HB3 H 1 3.876 0.020 . 1 . . . . . 8 SER HB3 . 50608 1
75 . 1 . 1 8 8 SER C C 13 172.469 0.3 . 1 . . . . . 8 SER C . 50608 1
76 . 1 . 1 8 8 SER CA C 13 56.021 0.3 . 1 . . . . . 8 SER CA . 50608 1
77 . 1 . 1 8 8 SER CB C 13 63.095 0.3 . 1 . . . . . 8 SER CB . 50608 1
78 . 1 . 1 8 8 SER N N 15 118.550 0.3 . 1 . . . . . 8 SER N . 50608 1
79 . 1 . 1 9 9 PRO HA H 1 4.407 0.020 . 1 . . . . . 9 PRO HA . 50608 1
80 . 1 . 1 9 9 PRO HB2 H 1 2.294 0.020 . 2 . . . . . 9 PRO HB2 . 50608 1
81 . 1 . 1 9 9 PRO HB3 H 1 1.942 0.020 . 2 . . . . . 9 PRO HB3 . 50608 1
82 . 1 . 1 9 9 PRO HG2 H 1 2.021 0.020 . 1 . . . . . 9 PRO HG2 . 50608 1
83 . 1 . 1 9 9 PRO HG3 H 1 2.021 0.020 . 1 . . . . . 9 PRO HG3 . 50608 1
84 . 1 . 1 9 9 PRO HD2 H 1 3.805 0.020 . 2 . . . . . 9 PRO HD2 . 50608 1
85 . 1 . 1 9 9 PRO HD3 H 1 3.746 0.020 . 2 . . . . . 9 PRO HD3 . 50608 1
86 . 1 . 1 9 9 PRO C C 13 176.675 0.3 . 1 . . . . . 9 PRO C . 50608 1
87 . 1 . 1 9 9 PRO CA C 13 63.258 0.3 . 1 . . . . . 9 PRO CA . 50608 1
88 . 1 . 1 9 9 PRO CB C 13 31.590 0.3 . 1 . . . . . 9 PRO CB . 50608 1
89 . 1 . 1 9 9 PRO CG C 13 26.915 0.3 . 1 . . . . . 9 PRO CG . 50608 1
90 . 1 . 1 9 9 PRO CD C 13 50.349 0.3 . 1 . . . . . 9 PRO CD . 50608 1
91 . 1 . 1 10 10 GLU H H 1 8.407 0.020 . 1 . . . . . 10 GLU H . 50608 1
92 . 1 . 1 10 10 GLU HA H 1 4.223 0.020 . 1 . . . . . 10 GLU HA . 50608 1
93 . 1 . 1 10 10 GLU HB2 H 1 2.007 0.020 . 2 . . . . . 10 GLU HB2 . 50608 1
94 . 1 . 1 10 10 GLU HB3 H 1 1.890 0.020 . 2 . . . . . 10 GLU HB3 . 50608 1
95 . 1 . 1 10 10 GLU HG2 H 1 2.292 0.020 . 1 . . . . . 10 GLU HG2 . 50608 1
96 . 1 . 1 10 10 GLU HG3 H 1 2.292 0.020 . 1 . . . . . 10 GLU HG3 . 50608 1
97 . 1 . 1 10 10 GLU C C 13 175.594 0.3 . 1 . . . . . 10 GLU C . 50608 1
98 . 1 . 1 10 10 GLU CA C 13 56.252 0.3 . 1 . . . . . 10 GLU CA . 50608 1
99 . 1 . 1 10 10 GLU CB C 13 29.386 0.3 . 1 . . . . . 10 GLU CB . 50608 1
100 . 1 . 1 10 10 GLU CG C 13 35.396 0.3 . 1 . . . . . 10 GLU CG . 50608 1
101 . 1 . 1 10 10 GLU CD C 13 183.036 0.3 . 1 . . . . . 10 GLU CD . 50608 1
102 . 1 . 1 10 10 GLU N N 15 120.068 0.3 . 1 . . . . . 10 GLU N . 50608 1
103 . 1 . 1 11 11 ALA H H 1 8.096 0.020 . 1 . . . . . 11 ALA H . 50608 1
104 . 1 . 1 11 11 ALA HA H 1 4.295 0.020 . 1 . . . . . 11 ALA HA . 50608 1
105 . 1 . 1 11 11 ALA HB1 H 1 1.328 0.020 . 1 . . . . . 11 ALA HB . 50608 1
106 . 1 . 1 11 11 ALA HB2 H 1 1.328 0.020 . 1 . . . . . 11 ALA HB . 50608 1
107 . 1 . 1 11 11 ALA HB3 H 1 1.328 0.020 . 1 . . . . . 11 ALA HB . 50608 1
108 . 1 . 1 11 11 ALA C C 13 176.702 0.3 . 1 . . . . . 11 ALA C . 50608 1
109 . 1 . 1 11 11 ALA CA C 13 51.975 0.3 . 1 . . . . . 11 ALA CA . 50608 1
110 . 1 . 1 11 11 ALA CB C 13 18.919 0.3 . 1 . . . . . 11 ALA CB . 50608 1
111 . 1 . 1 11 11 ALA N N 15 124.341 0.3 . 1 . . . . . 11 ALA N . 50608 1
112 . 1 . 1 12 12 TYR H H 1 8.012 0.020 . 1 . . . . . 12 TYR H . 50608 1
113 . 1 . 1 12 12 TYR HA H 1 4.584 0.020 . 1 . . . . . 12 TYR HA . 50608 1
114 . 1 . 1 12 12 TYR HB2 H 1 3.075 0.020 . 2 . . . . . 12 TYR HB2 . 50608 1
115 . 1 . 1 12 12 TYR HB3 H 1 2.981 0.020 . 2 . . . . . 12 TYR HB3 . 50608 1
116 . 1 . 1 12 12 TYR HD1 H 1 7.130 0.020 . 1 . . . . . 12 TYR HD1 . 50608 1
117 . 1 . 1 12 12 TYR HD2 H 1 7.130 0.020 . 1 . . . . . 12 TYR HD2 . 50608 1
118 . 1 . 1 12 12 TYR HE1 H 1 6.841 0.020 . 1 . . . . . 12 TYR HE1 . 50608 1
119 . 1 . 1 12 12 TYR HE2 H 1 6.841 0.020 . 1 . . . . . 12 TYR HE2 . 50608 1
120 . 1 . 1 12 12 TYR C C 13 175.269 0.3 . 1 . . . . . 12 TYR C . 50608 1
121 . 1 . 1 12 12 TYR CA C 13 57.375 0.3 . 1 . . . . . 12 TYR CA . 50608 1
122 . 1 . 1 12 12 TYR CB C 13 38.414 0.3 . 1 . . . . . 12 TYR CB . 50608 1
123 . 1 . 1 12 12 TYR CG C 13 130.286 0.3 . 1 . . . . . 12 TYR CG . 50608 1
124 . 1 . 1 12 12 TYR CD1 C 13 132.872 0.3 . 1 . . . . . 12 TYR CD1 . 50608 1
125 . 1 . 1 12 12 TYR CE1 C 13 117.950 0.3 . 1 . . . . . 12 TYR CE1 . 50608 1
126 . 1 . 1 12 12 TYR CZ C 13 156.861 0.3 . 1 . . . . . 12 TYR CZ . 50608 1
127 . 1 . 1 12 12 TYR N N 15 119.295 0.3 . 1 . . . . . 12 TYR N . 50608 1
128 . 1 . 1 13 13 GLU H H 1 8.163 0.020 . 1 . . . . . 13 GLU H . 50608 1
129 . 1 . 1 13 13 GLU HA H 1 4.332 0.020 . 1 . . . . . 13 GLU HA . 50608 1
130 . 1 . 1 13 13 GLU HB2 H 1 2.065 0.020 . 2 . . . . . 13 GLU HB2 . 50608 1
131 . 1 . 1 13 13 GLU HB3 H 1 1.914 0.020 . 2 . . . . . 13 GLU HB3 . 50608 1
132 . 1 . 1 13 13 GLU HG2 H 1 2.264 0.020 . 1 . . . . . 13 GLU HG2 . 50608 1
133 . 1 . 1 13 13 GLU HG3 H 1 2.264 0.020 . 1 . . . . . 13 GLU HG3 . 50608 1
134 . 1 . 1 13 13 GLU C C 13 175.101 0.3 . 1 . . . . . 13 GLU C . 50608 1
135 . 1 . 1 13 13 GLU CA C 13 55.709 0.3 . 1 . . . . . 13 GLU CA . 50608 1
136 . 1 . 1 13 13 GLU CB C 13 30.063 0.3 . 1 . . . . . 13 GLU CB . 50608 1
137 . 1 . 1 13 13 GLU CG C 13 35.008 0.3 . 1 . . . . . 13 GLU CG . 50608 1
138 . 1 . 1 13 13 GLU CD C 13 182.585 0.3 . 1 . . . . . 13 GLU CD . 50608 1
139 . 1 . 1 13 13 GLU N N 15 122.171 0.3 . 1 . . . . . 13 GLU N . 50608 1
140 . 1 . 1 14 14 ASP H H 1 8.329 0.020 . 1 . . . . . 14 ASP H . 50608 1
141 . 1 . 1 14 14 ASP HA H 1 4.661 0.020 . 1 . . . . . 14 ASP HA . 50608 1
142 . 1 . 1 14 14 ASP HB2 H 1 2.787 0.020 . 2 . . . . . 14 ASP HB2 . 50608 1
143 . 1 . 1 14 14 ASP HB3 H 1 2.650 0.020 . 2 . . . . . 14 ASP HB3 . 50608 1
144 . 1 . 1 14 14 ASP C C 13 174.613 0.3 . 1 . . . . . 14 ASP C . 50608 1
145 . 1 . 1 14 14 ASP CA C 13 53.856 0.3 . 1 . . . . . 14 ASP CA . 50608 1
146 . 1 . 1 14 14 ASP CB C 13 40.384 0.3 . 1 . . . . . 14 ASP CB . 50608 1
147 . 1 . 1 14 14 ASP CG C 13 179.612 0.3 . 1 . . . . . 14 ASP CG . 50608 1
148 . 1 . 1 14 14 ASP N N 15 121.799 0.3 . 1 . . . . . 14 ASP N . 50608 1
149 . 1 . 1 15 15 CYS H H 1 7.878 0.020 . 1 . . . . . 15 CYS H . 50608 1
150 . 1 . 1 15 15 CYS HA H 1 4.406 0.020 . 1 . . . . . 15 CYS HA . 50608 1
151 . 1 . 1 15 15 CYS HB2 H 1 2.944 0.020 . 1 . . . . . 15 CYS HB2 . 50608 1
152 . 1 . 1 15 15 CYS HB3 H 1 2.944 0.020 . 1 . . . . . 15 CYS HB3 . 50608 1
153 . 1 . 1 15 15 CYS C C 13 178.171 0.3 . 1 . . . . . 15 CYS C . 50608 1
154 . 1 . 1 15 15 CYS CA C 13 58.907 0.3 . 1 . . . . . 15 CYS CA . 50608 1
155 . 1 . 1 15 15 CYS CB C 13 28.733 0.3 . 1 . . . . . 15 CYS CB . 50608 1
156 . 1 . 1 15 15 CYS N N 15 123.050 0.3 . 1 . . . . . 15 CYS N . 50608 1
stop_
save_