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 18645
_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-1H TOCSY' . . . 18645 1
6 '2D 1H-13C HSQC' . . . 18645 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.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 GLY HA2 H 1 4.200 0.001 . . . . . A 1 GLY HA2 . 18645 1
2 . 1 1 1 1 GLY HA3 H 1 3.770 0.006 . . . . . A 1 GLY HA3 . 18645 1
3 . 1 1 1 1 GLY H H 1 8.224 0.000 . . . . . A 1 GLY H1 . 18645 1
4 . 1 1 1 1 GLY CA C 13 45.384 0.007 . . . . . A 1 GLY CA . 18645 1
5 . 1 1 2 2 HIS H H 1 8.059 0.001 . . . . . A 2 HIS H . 18645 1
6 . 1 1 2 2 HIS HA H 1 4.770 0.000 . . . . . A 2 HIS HA . 18645 1
7 . 1 1 2 2 HIS HB2 H 1 3.257 0.007 . . . . . A 2 HIS QB . 18645 1
8 . 1 1 2 2 HIS HB3 H 1 3.257 0.007 . . . . . A 2 HIS HB3 . 18645 1
9 . 1 1 2 2 HIS HD1 H 1 7.168 0.003 . . . . . A 2 HIS HD1 . 18645 1
10 . 1 1 2 2 HIS HD2 H 1 7.158 0.000 . . . . . A 2 HIS HD2 . 18645 1
11 . 1 1 2 2 HIS HE1 H 1 8.625 0.000 . . . . . A 2 HIS HE1 . 18645 1
12 . 1 1 2 2 HIS CA C 13 55.234 0.000 . . . . . A 2 HIS CA . 18645 1
13 . 1 1 2 2 HIS CB C 13 28.980 0.000 . . . . . A 2 HIS CB . 18645 1
14 . 1 1 3 3 CYS H H 1 8.688 0.000 . . . . . A 3 CYS H . 18645 1
15 . 1 1 3 3 CYS HA H 1 5.479 0.000 . . . . . A 3 CYS HA . 18645 1
16 . 1 1 3 3 CYS HB2 H 1 3.148 0.005 . . . . . A 3 CYS HB2 . 18645 1
17 . 1 1 3 3 CYS HB3 H 1 2.605 0.001 . . . . . A 3 CYS HB3 . 18645 1
18 . 1 1 3 3 CYS CA C 13 55.919 0.000 . . . . . A 3 CYS CA . 18645 1
19 . 1 1 3 3 CYS CB C 13 47.425 0.000 . . . . . A 3 CYS CB . 18645 1
20 . 1 1 4 4 ILE H H 1 9.034 0.000 . . . . . A 4 ILE H . 18645 1
21 . 1 1 4 4 ILE HA H 1 4.677 0.000 . . . . . A 4 ILE HA . 18645 1
22 . 1 1 4 4 ILE HB H 1 1.916 0.000 . . . . . A 4 ILE HB . 18645 1
23 . 1 1 4 4 ILE HG12 H 1 1.507 0.000 . . . . . A 4 ILE HG12 . 18645 1
24 . 1 1 4 4 ILE HG13 H 1 1.125 0.000 . . . . . A 4 ILE HG13 . 18645 1
25 . 1 1 4 4 ILE HG21 H 1 0.930 0.004 . . . . . A 4 ILE HG21 . 18645 1
26 . 1 1 4 4 ILE HG22 H 1 0.930 0.004 . . . . . A 4 ILE HG22 . 18645 1
27 . 1 1 4 4 ILE HG23 H 1 0.930 0.004 . . . . . A 4 ILE HG23 . 18645 1
28 . 1 1 4 4 ILE HD11 H 1 0.879 0.005 . . . . . A 4 ILE HD11 . 18645 1
29 . 1 1 4 4 ILE HD12 H 1 0.879 0.005 . . . . . A 4 ILE HD12 . 18645 1
30 . 1 1 4 4 ILE HD13 H 1 0.879 0.005 . . . . . A 4 ILE HD13 . 18645 1
31 . 1 1 4 4 ILE CA C 13 58.060 0.000 . . . . . A 4 ILE CA . 18645 1
32 . 1 1 4 4 ILE CB C 13 40.513 0.000 . . . . . A 4 ILE CB . 18645 1
33 . 1 1 4 4 ILE CG1 C 13 26.701 0.003 . . . . . A 4 ILE CG1 . 18645 1
34 . 1 1 4 4 ILE CD1 C 13 17.745 0.000 . . . . . A 4 ILE CD1 . 18645 1
35 . 1 1 5 5 PRO HA H 1 4.481 0.000 . . . . . A 5 PRO HA . 18645 1
36 . 1 1 5 5 PRO HB2 H 1 2.214 0.000 . . . . . A 5 PRO HB2 . 18645 1
37 . 1 1 5 5 PRO HB3 H 1 2.055 0.002 . . . . . A 5 PRO HB3 . 18645 1
38 . 1 1 5 5 PRO HG2 H 1 2.134 0.001 . . . . . A 5 PRO HG2 . 18645 1
39 . 1 1 5 5 PRO HG3 H 1 2.003 0.005 . . . . . A 5 PRO HG3 . 18645 1
40 . 1 1 5 5 PRO HD2 H 1 3.831 0.003 . . . . . A 5 PRO HD2 . 18645 1
41 . 1 1 5 5 PRO HD3 H 1 3.783 0.006 . . . . . A 5 PRO HD3 . 18645 1
42 . 1 1 5 5 PRO CA C 13 63.204 0.000 . . . . . A 5 PRO CA . 18645 1
43 . 1 1 5 5 PRO CB C 13 32.291 0.008 . . . . . A 5 PRO CB . 18645 1
44 . 1 1 5 5 PRO CG C 13 27.359 0.009 . . . . . A 5 PRO CG . 18645 1
45 . 1 1 5 5 PRO CD C 13 51.037 0.004 . . . . . A 5 PRO CD . 18645 1
46 . 1 1 6 6 THR H H 1 8.694 0.000 . . . . . A 6 THR H . 18645 1
47 . 1 1 6 6 THR HA H 1 4.155 0.000 . . . . . A 6 THR HA . 18645 1
48 . 1 1 6 6 THR HB H 1 4.363 0.000 . . . . . A 6 THR HB . 18645 1
49 . 1 1 6 6 THR HG21 H 1 1.322 0.000 . . . . . A 6 THR HG21 . 18645 1
50 . 1 1 6 6 THR HG22 H 1 1.322 0.000 . . . . . A 6 THR HG22 . 18645 1
51 . 1 1 6 6 THR HG23 H 1 1.322 0.000 . . . . . A 6 THR HG23 . 18645 1
52 . 1 1 6 6 THR CA C 13 60.796 0.000 . . . . . A 6 THR CA . 18645 1
53 . 1 1 6 6 THR CB C 13 73.138 0.000 . . . . . A 6 THR CB . 18645 1
54 . 1 1 6 6 THR CG2 C 13 21.248 0.000 . . . . . A 6 THR CG2 . 18645 1
55 . 1 1 7 7 THR H H 1 8.489 0.006 . . . . . A 7 THR H . 18645 1
56 . 1 1 7 7 THR HA H 1 4.198 0.004 . . . . . A 7 THR HA . 18645 1
57 . 1 1 7 7 THR HB H 1 4.376 0.003 . . . . . A 7 THR HB . 18645 1
58 . 1 1 7 7 THR HG21 H 1 1.333 0.004 . . . . . A 7 THR HG21 . 18645 1
59 . 1 1 7 7 THR HG22 H 1 1.333 0.004 . . . . . A 7 THR HG22 . 18645 1
60 . 1 1 7 7 THR HG23 H 1 1.333 0.004 . . . . . A 7 THR HG23 . 18645 1
61 . 1 1 7 7 THR CA C 13 64.690 0.000 . . . . . A 7 THR CA . 18645 1
62 . 1 1 7 7 THR CB C 13 68.928 0.000 . . . . . A 7 THR CB . 18645 1
63 . 1 1 7 7 THR CG2 C 13 22.225 0.000 . . . . . A 7 THR CG2 . 18645 1
64 . 1 1 8 8 SER H H 1 8.258 0.000 . . . . . A 8 SER H . 18645 1
65 . 1 1 8 8 SER HA H 1 4.689 0.000 . . . . . A 8 SER HA . 18645 1
66 . 1 1 8 8 SER HB2 H 1 3.869 0.000 . . . . . A 8 SER QB . 18645 1
67 . 1 1 8 8 SER HB3 H 1 3.869 0.000 . . . . . A 8 SER HB3 . 18645 1
68 . 1 1 8 8 SER CA C 13 60.732 0.000 . . . . . A 8 SER CA . 18645 1
69 . 1 1 8 8 SER CB C 13 63.765 0.000 . . . . . A 8 SER CB . 18645 1
70 . 1 1 9 9 GLY H H 1 7.516 0.000 . . . . . A 9 GLY H . 18645 1
71 . 1 1 9 9 GLY HA2 H 1 4.549 0.000 . . . . . A 9 GLY HA2 . 18645 1
72 . 1 1 9 9 GLY HA3 H 1 4.000 0.000 . . . . . A 9 GLY HA3 . 18645 1
73 . 1 1 9 9 GLY CA C 13 43.975 0.007 . . . . . A 9 GLY CA . 18645 1
74 . 1 1 10 10 PRO HA H 1 4.889 0.003 . . . . . A 10 PRO HA . 18645 1
75 . 1 1 10 10 PRO HB2 H 1 2.122 0.004 . . . . . A 10 PRO HB2 . 18645 1
76 . 1 1 10 10 PRO HB3 H 1 1.809 0.002 . . . . . A 10 PRO HB3 . 18645 1
77 . 1 1 10 10 PRO HG2 H 1 2.099 0.007 . . . . . A 10 PRO HG2 . 18645 1
78 . 1 1 10 10 PRO HG3 H 1 2.015 0.005 . . . . . A 10 PRO HG3 . 18645 1
79 . 1 1 10 10 PRO HD2 H 1 3.648 0.001 . . . . . A 10 PRO QD . 18645 1
80 . 1 1 10 10 PRO HD3 H 1 3.648 0.001 . . . . . A 10 PRO HD3 . 18645 1
81 . 1 1 10 10 PRO CA C 13 63.365 0.000 . . . . . A 10 PRO CA . 18645 1
82 . 1 1 10 10 PRO CB C 13 32.291 0.008 . . . . . A 10 PRO CB . 18645 1
83 . 1 1 10 10 PRO CG C 13 27.534 0.038 . . . . . A 10 PRO CG . 18645 1
84 . 1 1 10 10 PRO CD C 13 49.668 0.000 . . . . . A 10 PRO CD . 18645 1
85 . 1 1 11 11 ILE H H 1 8.805 0.000 . . . . . A 11 ILE H . 18645 1
86 . 1 1 11 11 ILE HA H 1 4.368 0.000 . . . . . A 11 ILE HA . 18645 1
87 . 1 1 11 11 ILE HB H 1 1.815 0.000 . . . . . A 11 ILE HB . 18645 1
88 . 1 1 11 11 ILE HG12 H 1 1.512 0.000 . . . . . A 11 ILE HG12 . 18645 1
89 . 1 1 11 11 ILE HG13 H 1 1.181 0.002 . . . . . A 11 ILE HG13 . 18645 1
90 . 1 1 11 11 ILE HD11 H 1 0.870 0.003 . . . . . A 11 ILE HD11 . 18645 1
91 . 1 1 11 11 ILE HD12 H 1 0.870 0.003 . . . . . A 11 ILE HD12 . 18645 1
92 . 1 1 11 11 ILE HD13 H 1 0.870 0.003 . . . . . A 11 ILE HD13 . 18645 1
93 . 1 1 11 11 ILE CA C 13 60.354 0.000 . . . . . A 11 ILE CA . 18645 1
94 . 1 1 11 11 ILE CB C 13 39.675 0.000 . . . . . A 11 ILE CB . 18645 1
95 . 1 1 11 11 ILE CG1 C 13 27.295 0.006 . . . . . A 11 ILE CG1 . 18645 1
96 . 1 1 12 12 CYS H H 1 8.883 0.000 . . . . . A 12 CYS H . 18645 1
97 . 1 1 12 12 CYS HA H 1 5.165 0.000 . . . . . A 12 CYS HA . 18645 1
98 . 1 1 12 12 CYS HB2 H 1 2.954 0.000 . . . . . A 12 CYS HB2 . 18645 1
99 . 1 1 12 12 CYS HB3 H 1 2.831 0.000 . . . . . A 12 CYS HB3 . 18645 1
100 . 1 1 12 12 CYS CA C 13 55.648 0.000 . . . . . A 12 CYS CA . 18645 1
101 . 1 1 12 12 CYS CB C 13 45.163 0.014 . . . . . A 12 CYS CB . 18645 1
102 . 1 1 13 13 LEU H H 1 8.585 0.000 . . . . . A 13 LEU H . 18645 1
103 . 1 1 13 13 LEU HA H 1 4.514 0.002 . . . . . A 13 LEU HA . 18645 1
104 . 1 1 13 13 LEU HB2 H 1 1.961 0.000 . . . . . A 13 LEU HB2 . 18645 1
105 . 1 1 13 13 LEU HB3 H 1 1.743 0.001 . . . . . A 13 LEU HB3 . 18645 1
106 . 1 1 13 13 LEU HG H 1 1.767 0.000 . . . . . A 13 LEU HG . 18645 1
107 . 1 1 13 13 LEU HD11 H 1 0.958 0.003 . . . . . A 13 LEU HD11 . 18645 1
108 . 1 1 13 13 LEU HD12 H 1 0.958 0.003 . . . . . A 13 LEU HD12 . 18645 1
109 . 1 1 13 13 LEU HD13 H 1 0.958 0.003 . . . . . A 13 LEU HD13 . 18645 1
110 . 1 1 13 13 LEU HD21 H 1 0.863 0.003 . . . . . A 13 LEU HD21 . 18645 1
111 . 1 1 13 13 LEU HD22 H 1 0.863 0.003 . . . . . A 13 LEU HD22 . 18645 1
112 . 1 1 13 13 LEU HD23 H 1 0.863 0.003 . . . . . A 13 LEU HD23 . 18645 1
113 . 1 1 13 13 LEU CA C 13 54.596 0.000 . . . . . A 13 LEU CA . 18645 1
114 . 1 1 13 13 LEU CB C 13 42.838 0.005 . . . . . A 13 LEU CB . 18645 1
115 . 1 1 13 13 LEU CG C 13 24.812 2.814 . . . . . A 13 LEU CG . 18645 1
116 . 1 1 13 13 LEU CD1 C 13 25.327 0.000 . . . . . A 13 LEU CD1 . 18645 1
117 . 1 1 14 14 ARG H H 1 8.560 0.000 . . . . . A 14 ARG H . 18645 1
118 . 1 1 14 14 ARG HA H 1 4.138 0.000 . . . . . A 14 ARG HA . 18645 1
119 . 1 1 14 14 ARG HB2 H 1 1.866 0.000 . . . . . A 14 ARG QB . 18645 1
120 . 1 1 14 14 ARG HB3 H 1 1.866 0.000 . . . . . A 14 ARG HB3 . 18645 1
121 . 1 1 14 14 ARG HG2 H 1 1.698 0.002 . . . . . A 14 ARG QG . 18645 1
122 . 1 1 14 14 ARG HG3 H 1 1.698 0.002 . . . . . A 14 ARG HG3 . 18645 1
123 . 1 1 14 14 ARG HD2 H 1 3.218 0.000 . . . . . A 14 ARG QD . 18645 1
124 . 1 1 14 14 ARG HD3 H 1 3.218 0.000 . . . . . A 14 ARG HD3 . 18645 1
125 . 1 1 14 14 ARG HE H 1 7.232 0.003 . . . . . A 14 ARG HE . 18645 1
126 . 1 1 14 14 ARG CA C 13 58.045 0.000 . . . . . A 14 ARG CA . 18645 1
127 . 1 1 14 14 ARG CB C 13 30.078 0.008 . . . . . A 14 ARG CB . 18645 1
128 . 1 1 14 14 ARG CG C 13 27.252 0.038 . . . . . A 14 ARG CG . 18645 1
129 . 1 1 14 14 ARG CD C 13 43.304 0.000 . . . . . A 14 ARG CD . 18645 1
130 . 1 1 15 15 ASP H H 1 8.059 0.000 . . . . . A 15 ASP H . 18645 1
131 . 1 1 15 15 ASP HA H 1 4.514 0.000 . . . . . A 15 ASP HA . 18645 1
132 . 1 1 15 15 ASP HB2 H 1 3.088 0.000 . . . . . A 15 ASP HB2 . 18645 1
133 . 1 1 15 15 ASP HB3 H 1 2.806 0.000 . . . . . A 15 ASP HB3 . 18645 1
134 . 1 1 15 15 ASP CA C 13 53.615 0.000 . . . . . A 15 ASP CA . 18645 1
135 . 1 1 15 15 ASP CB C 13 38.480 0.000 . . . . . A 15 ASP CB . 18645 1
stop_
save_