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 30381
_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 $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' . . . 30381 1
2 '2D 1H-1H NOESY' . . . 30381 1
3 '2D 1H-13C HSQC' . . . 30381 1
4 '2D 1H-15N HSQC' . . . 30381 1
5 '2D 1H-1H COSY' . . . 30381 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.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 H H 1 8.457 0.005 . . . . . . A 1 CYS H1 . 30381 1
2 . 1 1 1 1 CYS HA H 1 5.660 0.005 . . . . . . A 1 CYS HA . 30381 1
3 . 1 1 1 1 CYS HB2 H 1 3.160 0.004 . . . . . . A 1 CYS HB2 . 30381 1
4 . 1 1 1 1 CYS HB3 H 1 2.777 0.005 . . . . . . A 1 CYS HB3 . 30381 1
5 . 1 1 1 1 CYS CA C 13 55.252 0.000 . . . . . . A 1 CYS CA . 30381 1
6 . 1 1 1 1 CYS CB C 13 50.310 0.010 . . . . . . A 1 CYS CB . 30381 1
7 . 1 1 1 1 CYS N N 15 123.964 0.000 . . . . . . A 1 CYS N . 30381 1
8 . 1 1 2 2 THR H H 1 8.662 0.002 . . . . . . A 2 THR H . 30381 1
9 . 1 1 2 2 THR HA H 1 4.329 0.004 . . . . . . A 2 THR HA . 30381 1
10 . 1 1 2 2 THR HB H 1 4.450 0.004 . . . . . . A 2 THR HB . 30381 1
11 . 1 1 2 2 THR HG21 H 1 1.316 0.004 . . . . . . A 2 THR HG21 . 30381 1
12 . 1 1 2 2 THR HG22 H 1 1.316 0.004 . . . . . . A 2 THR HG22 . 30381 1
13 . 1 1 2 2 THR HG23 H 1 1.316 0.004 . . . . . . A 2 THR HG23 . 30381 1
14 . 1 1 2 2 THR CA C 13 61.552 0.000 . . . . . . A 2 THR CA . 30381 1
15 . 1 1 2 2 THR CB C 13 70.718 0.000 . . . . . . A 2 THR CB . 30381 1
16 . 1 1 2 2 THR CG2 C 13 22.156 0.000 . . . . . . A 2 THR CG2 . 30381 1
17 . 1 1 2 2 THR N N 15 114.476 0.000 . . . . . . A 2 THR N . 30381 1
18 . 1 1 3 3 ALA H H 1 8.441 0.002 . . . . . . A 3 ALA H . 30381 1
19 . 1 1 3 3 ALA HA H 1 4.486 0.006 . . . . . . A 3 ALA HA . 30381 1
20 . 1 1 3 3 ALA HB1 H 1 1.307 0.005 . . . . . . A 3 ALA HB1 . 30381 1
21 . 1 1 3 3 ALA HB2 H 1 1.307 0.005 . . . . . . A 3 ALA HB2 . 30381 1
22 . 1 1 3 3 ALA HB3 H 1 1.307 0.005 . . . . . . A 3 ALA HB3 . 30381 1
23 . 1 1 3 3 ALA CA C 13 51.311 0.000 . . . . . . A 3 ALA CA . 30381 1
24 . 1 1 3 3 ALA CB C 13 17.713 0.000 . . . . . . A 3 ALA CB . 30381 1
25 . 1 1 3 3 ALA N N 15 123.664 0.000 . . . . . . A 3 ALA N . 30381 1
26 . 1 1 4 4 SER H H 1 7.283 0.003 . . . . . . A 4 SER H . 30381 1
27 . 1 1 4 4 SER HA H 1 4.286 0.012 . . . . . . A 4 SER HA . 30381 1
28 . 1 1 4 4 SER HB2 H 1 3.820 0.003 . . . . . . A 4 SER HB2 . 30381 1
29 . 1 1 4 4 SER HB3 H 1 3.684 0.010 . . . . . . A 4 SER HB3 . 30381 1
30 . 1 1 4 4 SER CA C 13 57.402 0.000 . . . . . . A 4 SER CA . 30381 1
31 . 1 1 4 4 SER CB C 13 65.359 0.045 . . . . . . A 4 SER CB . 30381 1
32 . 1 1 4 4 SER N N 15 113.376 0.000 . . . . . . A 4 SER N . 30381 1
33 . 1 1 5 5 ILE H H 1 8.169 0.003 . . . . . . A 5 ILE H . 30381 1
34 . 1 1 5 5 ILE HA H 1 4.215 0.005 . . . . . . A 5 ILE HA . 30381 1
35 . 1 1 5 5 ILE HB H 1 1.714 0.004 . . . . . . A 5 ILE HB . 30381 1
36 . 1 1 5 5 ILE HG12 H 1 1.362 0.005 . . . . . . A 5 ILE HG12 . 30381 1
37 . 1 1 5 5 ILE HG13 H 1 0.964 0.004 . . . . . . A 5 ILE HG13 . 30381 1
38 . 1 1 5 5 ILE HG21 H 1 0.773 0.000 . . . . . . A 5 ILE HG21 . 30381 1
39 . 1 1 5 5 ILE HG22 H 1 0.773 0.000 . . . . . . A 5 ILE HG22 . 30381 1
40 . 1 1 5 5 ILE HG23 H 1 0.773 0.000 . . . . . . A 5 ILE HG23 . 30381 1
41 . 1 1 5 5 ILE HD11 H 1 0.750 0.004 . . . . . . A 5 ILE HD11 . 30381 1
42 . 1 1 5 5 ILE HD12 H 1 0.750 0.004 . . . . . . A 5 ILE HD12 . 30381 1
43 . 1 1 5 5 ILE HD13 H 1 0.750 0.004 . . . . . . A 5 ILE HD13 . 30381 1
44 . 1 1 5 5 ILE CA C 13 57.760 0.000 . . . . . . A 5 ILE CA . 30381 1
45 . 1 1 5 5 ILE CB C 13 39.434 0.000 . . . . . . A 5 ILE CB . 30381 1
46 . 1 1 5 5 ILE CG1 C 13 26.932 0.017 . . . . . . A 5 ILE CG1 . 30381 1
47 . 1 1 5 5 ILE CG2 C 13 16.997 0.000 . . . . . . A 5 ILE CG2 . 30381 1
48 . 1 1 5 5 ILE CD1 C 13 12.625 0.000 . . . . . . A 5 ILE CD1 . 30381 1
49 . 1 1 5 5 ILE N N 15 119.145 0.000 . . . . . . A 5 ILE N . 30381 1
50 . 1 1 6 6 PRO HA H 1 5.012 0.005 . . . . . . A 6 PRO HA . 30381 1
51 . 1 1 6 6 PRO HB2 H 1 2.371 0.005 . . . . . . A 6 PRO HB2 . 30381 1
52 . 1 1 6 6 PRO HB3 H 1 1.951 0.005 . . . . . . A 6 PRO HB3 . 30381 1
53 . 1 1 6 6 PRO HG2 H 1 1.875 0.002 . . . . . . A 6 PRO HG2 . 30381 1
54 . 1 1 6 6 PRO HG3 H 1 1.766 0.007 . . . . . . A 6 PRO HG3 . 30381 1
55 . 1 1 6 6 PRO HD2 H 1 3.537 0.004 . . . . . . A 6 PRO HD2 . 30381 1
56 . 1 1 6 6 PRO HD3 H 1 3.438 0.004 . . . . . . A 6 PRO HD3 . 30381 1
57 . 1 1 6 6 PRO CA C 13 62.209 0.000 . . . . . . A 6 PRO CA . 30381 1
58 . 1 1 6 6 PRO CB C 13 33.019 0.012 . . . . . . A 6 PRO CB . 30381 1
59 . 1 1 6 6 PRO CG C 13 24.711 0.000 . . . . . . A 6 PRO CG . 30381 1
60 . 1 1 6 6 PRO CD C 13 49.892 0.015 . . . . . . A 6 PRO CD . 30381 1
61 . 1 1 7 7 PRO HA H 1 4.130 0.006 . . . . . . A 7 PRO HA . 30381 1
62 . 1 1 7 7 PRO HB2 H 1 2.353 0.005 . . . . . . A 7 PRO HB2 . 30381 1
63 . 1 1 7 7 PRO HB3 H 1 1.727 0.005 . . . . . . A 7 PRO HB3 . 30381 1
64 . 1 1 7 7 PRO HG2 H 1 2.014 0.005 . . . . . . A 7 PRO HG2 . 30381 1
65 . 1 1 7 7 PRO HG3 H 1 2.014 0.005 . . . . . . A 7 PRO HG3 . 30381 1
66 . 1 1 7 7 PRO HD2 H 1 3.719 0.006 . . . . . . A 7 PRO HD2 . 30381 1
67 . 1 1 7 7 PRO HD3 H 1 3.611 0.006 . . . . . . A 7 PRO HD3 . 30381 1
68 . 1 1 7 7 PRO CA C 13 63.313 0.000 . . . . . . A 7 PRO CA . 30381 1
69 . 1 1 7 7 PRO CB C 13 32.640 0.012 . . . . . . A 7 PRO CB . 30381 1
70 . 1 1 7 7 PRO CG C 13 27.109 0.000 . . . . . . A 7 PRO CG . 30381 1
71 . 1 1 7 7 PRO CD C 13 50.639 0.015 . . . . . . A 7 PRO CD . 30381 1
72 . 1 1 8 8 ILE H H 1 7.686 0.003 . . . . . . A 8 ILE H . 30381 1
73 . 1 1 8 8 ILE HA H 1 4.218 0.003 . . . . . . A 8 ILE HA . 30381 1
74 . 1 1 8 8 ILE HB H 1 1.812 0.003 . . . . . . A 8 ILE HB . 30381 1
75 . 1 1 8 8 ILE HG12 H 1 1.355 0.013 . . . . . . A 8 ILE HG12 . 30381 1
76 . 1 1 8 8 ILE HG13 H 1 1.053 0.003 . . . . . . A 8 ILE HG13 . 30381 1
77 . 1 1 8 8 ILE HG21 H 1 0.667 0.004 . . . . . . A 8 ILE HG21 . 30381 1
78 . 1 1 8 8 ILE HG22 H 1 0.667 0.004 . . . . . . A 8 ILE HG22 . 30381 1
79 . 1 1 8 8 ILE HG23 H 1 0.667 0.004 . . . . . . A 8 ILE HG23 . 30381 1
80 . 1 1 8 8 ILE HD11 H 1 0.715 0.012 . . . . . . A 8 ILE HD11 . 30381 1
81 . 1 1 8 8 ILE HD12 H 1 0.715 0.012 . . . . . . A 8 ILE HD12 . 30381 1
82 . 1 1 8 8 ILE HD13 H 1 0.715 0.012 . . . . . . A 8 ILE HD13 . 30381 1
83 . 1 1 8 8 ILE CB C 13 38.094 0.000 . . . . . . A 8 ILE CB . 30381 1
84 . 1 1 8 8 ILE CG1 C 13 26.801 0.008 . . . . . . A 8 ILE CG1 . 30381 1
85 . 1 1 8 8 ILE CG2 C 13 17.104 0.000 . . . . . . A 8 ILE CG2 . 30381 1
86 . 1 1 8 8 ILE CD1 C 13 11.945 0.000 . . . . . . A 8 ILE CD1 . 30381 1
87 . 1 1 8 8 ILE N N 15 122.230 0.000 . . . . . . A 8 ILE N . 30381 1
88 . 1 1 9 9 CYS H H 1 8.893 0.005 . . . . . . A 9 CYS H . 30381 1
89 . 1 1 9 9 CYS HA H 1 5.303 0.006 . . . . . . A 9 CYS HA . 30381 1
90 . 1 1 9 9 CYS HB2 H 1 2.539 0.005 . . . . . . A 9 CYS HB2 . 30381 1
91 . 1 1 9 9 CYS HB3 H 1 2.336 0.005 . . . . . . A 9 CYS HB3 . 30381 1
92 . 1 1 9 9 CYS CA C 13 55.461 0.000 . . . . . . A 9 CYS CA . 30381 1
93 . 1 1 9 9 CYS CB C 13 46.876 0.000 . . . . . . A 9 CYS CB . 30381 1
94 . 1 1 9 9 CYS N N 15 125.631 0.000 . . . . . . A 9 CYS N . 30381 1
95 . 1 1 10 10 HIS H H 1 8.923 0.003 . . . . . . A 10 HIS H . 30381 1
96 . 1 1 10 10 HIS HA H 1 4.787 0.007 . . . . . . A 10 HIS HA . 30381 1
97 . 1 1 10 10 HIS HB2 H 1 3.303 0.005 . . . . . . A 10 HIS HB2 . 30381 1
98 . 1 1 10 10 HIS HB3 H 1 2.883 0.008 . . . . . . A 10 HIS HB3 . 30381 1
99 . 1 1 10 10 HIS HD2 H 1 7.030 0.004 . . . . . . A 10 HIS HD2 . 30381 1
100 . 1 1 10 10 HIS HE1 H 1 8.448 0.000 . . . . . . A 10 HIS HE1 . 30381 1
101 . 1 1 10 10 HIS CB C 13 29.988 0.010 . . . . . . A 10 HIS CB . 30381 1
102 . 1 1 10 10 HIS N N 15 118.045 0.000 . . . . . . A 10 HIS N . 30381 1
103 . 1 1 11 11 DPN H H 1 7.728 0.004 . . . . . . A 11 DPN H . 30381 1
104 . 1 1 11 11 DPN N N 15 120.196 0.000 . . . . . . A 11 DPN N . 30381 1
105 . 1 1 11 11 DPN CA C 13 54.476 0.000 . . . . . . A 11 DPN CA . 30381 1
106 . 1 1 11 11 DPN CB C 13 37.612 0.000 . . . . . . A 11 DPN CB . 30381 1
107 . 1 1 11 11 DPN HA H 1 4.876 0.011 . . . . . . A 11 DPN HA . 30381 1
108 . 1 1 11 11 DPN HB2 H 1 3.052 0.008 . . . . . . A 11 DPN HB2 . 30381 1
109 . 1 1 11 11 DPN HB3 H 1 2.812 0.011 . . . . . . A 11 DPN HB3 . 30381 1
110 . 1 1 11 11 DPN HD2 H 1 6.816 0.005 . . . . . . A 11 DPN HD2 . 30381 1
111 . 1 1 11 11 DPN HE2 H 1 7.270 0.001 . . . . . . A 11 DPN HE2 . 30381 1
112 . 1 1 12 12 MMO N N 15 2.896 0.000 . . . . . . A 12 MMO N . 30381 1
113 . 1 1 12 12 MMO CA C 13 55.640 0.000 . . . . . . A 12 MMO CA . 30381 1
114 . 1 1 12 12 MMO CB C 13 28.315 0.048 . . . . . . A 12 MMO CB . 30381 1
115 . 1 1 12 12 MMO CD C 13 43.236 0.012 . . . . . . A 12 MMO CD . 30381 1
116 . 1 1 12 12 MMO CG C 13 26.917 0.032 . . . . . . A 12 MMO CG . 30381 1
117 . 1 1 12 12 MMO HA H 1 4.242 0.004 . . . . . . A 12 MMO HA . 30381 1
118 . 1 1 12 12 MMO HCB1 H 1 1.285 0.006 . . . . . . A 12 MMO HCB1 . 30381 1
119 . 1 1 12 12 MMO HCB2 H 1 -0.047 0.003 . . . . . . A 12 MMO HCB2 . 30381 1
120 . 1 1 12 12 MMO HCD1 H 1 2.688 0.015 . . . . . . A 12 MMO HCD1 . 30381 1
121 . 1 1 12 12 MMO HCD2 H 1 2.664 0.009 . . . . . . A 12 MMO HCD2 . 30381 1
122 . 1 1 12 12 MMO HCG1 H 1 0.607 0.004 . . . . . . A 12 MMO HCG1 . 30381 1
123 . 1 1 12 12 MMO HCG2 H 1 -0.441 0.004 . . . . . . A 12 MMO HCG2 . 30381 1
124 . 1 1 12 12 MMO HE H 1 6.859 0.005 . . . . . . A 12 MMO HE . 30381 1
125 . 1 1 12 12 MMO NE N 15 119.795 0.000 . . . . . . A 12 MMO NE . 30381 1
126 . 1 1 13 13 E9M N N 15 2.866 0.000 . . . . . . A 13 E9M N . 30381 1
127 . 1 1 13 13 E9M CA C 13 62.985 0.000 . . . . . . A 13 E9M CA . 30381 1
128 . 1 1 13 13 E9M CB C 13 27.140 0.000 . . . . . . A 13 E9M CB . 30381 1
129 . 1 1 13 13 E9M HA H 1 5.198 0.013 . . . . . . A 13 E9M HA . 30381 1
130 . 1 1 13 13 E9M HB2 H 1 3.174 0.014 . . . . . . A 13 E9M HB2 . 30381 1
131 . 1 1 13 13 E9M HB3 H 1 3.132 0.013 . . . . . . A 13 E9M HB3 . 30381 1
132 . 1 1 13 13 E9M HD1 H 1 7.119 0.003 . . . . . . A 13 E9M HD1 . 30381 1
133 . 1 1 13 13 E9M HE1 H 1 10.179 0.003 . . . . . . A 13 E9M HE1 . 30381 1
134 . 1 1 13 13 E9M HE3 H 1 7.428 0.004 . . . . . . A 13 E9M HE3 . 30381 1
135 . 1 1 13 13 E9M HZ2 H 1 7.443 0.004 . . . . . . A 13 E9M HZ2 . 30381 1
136 . 1 1 14 14 ARG H H 1 7.472 0.005 . . . . . . A 14 ARG H . 30381 1
137 . 1 1 14 14 ARG HA H 1 4.527 0.002 . . . . . . A 14 ARG HA . 30381 1
138 . 1 1 14 14 ARG HB2 H 1 1.697 0.010 . . . . . . A 14 ARG HB2 . 30381 1
139 . 1 1 14 14 ARG HB3 H 1 1.484 0.010 . . . . . . A 14 ARG HB3 . 30381 1
140 . 1 1 14 14 ARG HG2 H 1 1.437 0.006 . . . . . . A 14 ARG HG2 . 30381 1
141 . 1 1 14 14 ARG HG3 H 1 1.437 0.006 . . . . . . A 14 ARG HG3 . 30381 1
142 . 1 1 14 14 ARG HD2 H 1 3.087 0.002 . . . . . . A 14 ARG HD2 . 30381 1
143 . 1 1 14 14 ARG HD3 H 1 3.087 0.002 . . . . . . A 14 ARG HD3 . 30381 1
144 . 1 1 14 14 ARG HE H 1 7.172 0.004 . . . . . . A 14 ARG HE . 30381 1
145 . 1 1 14 14 ARG CA C 13 55.431 0.000 . . . . . . A 14 ARG CA . 30381 1
146 . 1 1 14 14 ARG CB C 13 29.426 0.065 . . . . . . A 14 ARG CB . 30381 1
147 . 1 1 14 14 ARG CG C 13 26.969 0.000 . . . . . . A 14 ARG CG . 30381 1
148 . 1 1 14 14 ARG CD C 13 43.271 0.000 . . . . . . A 14 ARG CD . 30381 1
149 . 1 1 14 14 ARG N N 15 126.498 0.000 . . . . . . A 14 ARG N . 30381 1
150 . 1 1 14 14 ARG NE N 15 119.262 0.000 . . . . . . A 14 ARG NE . 30381 1
stop_
save_