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 31156
_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 1H-1H TOCSY' . . . 31156 1
2 '2D 1H-1H NOESY' . . . 31156 1
3 '2D 1H-13C HSQC' . . . 31156 1
4 '2D 1H-15N HSQC' . . . 31156 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 GLY HA2 H 1 3.949 0.001 . 2 . . . . A 1 GLY HA2 . 31156 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.949 0.001 . 2 . . . . A 1 GLY HA3 . 31156 1
3 . 1 . 1 1 1 GLY CA C 13 43.452 0.000 . 1 . . . . A 1 GLY CA . 31156 1
4 . 1 . 1 2 2 CYS H H 1 9.028 0.001 . 1 . . . . A 2 CYS H . 31156 1
5 . 1 . 1 2 2 CYS HA H 1 4.604 0.002 . 1 . . . . A 2 CYS HA . 31156 1
6 . 1 . 1 2 2 CYS HB2 H 1 3.343 0.001 . 2 . . . . A 2 CYS HB2 . 31156 1
7 . 1 . 1 2 2 CYS HB3 H 1 2.916 0.009 . 2 . . . . A 2 CYS HB3 . 31156 1
8 . 1 . 1 2 2 CYS CA C 13 58.120 0.000 . 1 . . . . A 2 CYS CA . 31156 1
9 . 1 . 1 2 2 CYS CB C 13 42.269 0.008 . 1 . . . . A 2 CYS CB . 31156 1
10 . 1 . 1 2 2 CYS N N 15 120.152 0.000 . 1 . . . . A 2 CYS N . 31156 1
11 . 1 . 1 3 3 CYS H H 1 8.753 0.001 . 1 . . . . A 3 CYS H . 31156 1
12 . 1 . 1 3 3 CYS HA H 1 4.435 0.004 . 1 . . . . A 3 CYS HA . 31156 1
13 . 1 . 1 3 3 CYS HB2 H 1 3.285 0.005 . 2 . . . . A 3 CYS HB2 . 31156 1
14 . 1 . 1 3 3 CYS HB3 H 1 2.909 0.008 . 2 . . . . A 3 CYS HB3 . 31156 1
15 . 1 . 1 3 3 CYS CA C 13 56.691 0.000 . 1 . . . . A 3 CYS CA . 31156 1
16 . 1 . 1 3 3 CYS CB C 13 37.639 0.018 . 1 . . . . A 3 CYS CB . 31156 1
17 . 1 . 1 3 3 CYS N N 15 113.470 0.000 . 1 . . . . A 3 CYS N . 31156 1
18 . 1 . 1 4 4 SER H H 1 7.934 0.003 . 1 . . . . A 4 SER H . 31156 1
19 . 1 . 1 4 4 SER HA H 1 4.437 0.007 . 1 . . . . A 4 SER HA . 31156 1
20 . 1 . 1 4 4 SER HB2 H 1 3.821 0.005 . 2 . . . . A 4 SER HB2 . 31156 1
21 . 1 . 1 4 4 SER HB3 H 1 3.823 0.004 . 2 . . . . A 4 SER HB3 . 31156 1
22 . 1 . 1 4 4 SER CA C 13 58.997 0.000 . 1 . . . . A 4 SER CA . 31156 1
23 . 1 . 1 4 4 SER CB C 13 63.152 0.000 . 1 . . . . A 4 SER CB . 31156 1
24 . 1 . 1 4 4 SER N N 15 113.823 0.000 . 1 . . . . A 4 SER N . 31156 1
25 . 1 . 1 5 5 HIS H H 1 8.136 0.004 . 1 . . . . A 5 HIS H . 31156 1
26 . 1 . 1 5 5 HIS HA H 1 5.234 0.005 . 1 . . . . A 5 HIS HA . 31156 1
27 . 1 . 1 5 5 HIS HB2 H 1 3.353 0.020 . 2 . . . . A 5 HIS HB2 . 31156 1
28 . 1 . 1 5 5 HIS HB3 H 1 3.320 0.011 . 2 . . . . A 5 HIS HB3 . 31156 1
29 . 1 . 1 5 5 HIS HD2 H 1 7.408 0.004 . 1 . . . . A 5 HIS HD2 . 31156 1
30 . 1 . 1 5 5 HIS HE1 H 1 8.661 0.000 . 1 . . . . A 5 HIS HE1 . 31156 1
31 . 1 . 1 5 5 HIS CA C 13 52.549 0.000 . 1 . . . . A 5 HIS CA . 31156 1
32 . 1 . 1 5 5 HIS CB C 13 29.588 0.006 . 1 . . . . A 5 HIS CB . 31156 1
33 . 1 . 1 5 5 HIS N N 15 120.153 0.000 . 1 . . . . A 5 HIS N . 31156 1
34 . 1 . 1 6 6 PRO HA H 1 4.373 0.001 . 1 . . . . A 6 PRO HA . 31156 1
35 . 1 . 1 6 6 PRO HB2 H 1 2.387 0.002 . 2 . . . . A 6 PRO HB2 . 31156 1
36 . 1 . 1 6 6 PRO HB3 H 1 1.985 0.003 . 2 . . . . A 6 PRO HB3 . 31156 1
37 . 1 . 1 6 6 PRO HG2 H 1 2.176 0.001 . 2 . . . . A 6 PRO HG2 . 31156 1
38 . 1 . 1 6 6 PRO HG3 H 1 2.049 0.001 . 2 . . . . A 6 PRO HG3 . 31156 1
39 . 1 . 1 6 6 PRO HD2 H 1 3.992 0.000 . 2 . . . . A 6 PRO HD2 . 31156 1
40 . 1 . 1 6 6 PRO HD3 H 1 3.958 0.009 . 2 . . . . A 6 PRO HD3 . 31156 1
41 . 1 . 1 6 6 PRO CA C 13 65.711 0.000 . 1 . . . . A 6 PRO CA . 31156 1
42 . 1 . 1 6 6 PRO CB C 13 32.227 0.011 . 1 . . . . A 6 PRO CB . 31156 1
43 . 1 . 1 6 6 PRO CG C 13 27.409 0.005 . 1 . . . . A 6 PRO CG . 31156 1
44 . 1 . 1 6 6 PRO CD C 13 51.286 0.016 . 1 . . . . A 6 PRO CD . 31156 1
45 . 1 . 1 7 7 ALA H H 1 8.584 0.000 . 1 . . . . A 7 ALA H . 31156 1
46 . 1 . 1 7 7 ALA HA H 1 4.180 0.006 . 1 . . . . A 7 ALA HA . 31156 1
47 . 1 . 1 7 7 ALA HB1 H 1 1.398 0.001 . 1 . . . . A 7 ALA HB1 . 31156 1
48 . 1 . 1 7 7 ALA HB2 H 1 1.398 0.001 . 1 . . . . A 7 ALA HB2 . 31156 1
49 . 1 . 1 7 7 ALA HB3 H 1 1.398 0.001 . 1 . . . . A 7 ALA HB3 . 31156 1
50 . 1 . 1 7 7 ALA CA C 13 54.229 0.000 . 1 . . . . A 7 ALA CA . 31156 1
51 . 1 . 1 7 7 ALA CB C 13 18.431 0.000 . 1 . . . . A 7 ALA CB . 31156 1
52 . 1 . 1 7 7 ALA N N 15 117.607 0.000 . 1 . . . . A 7 ALA N . 31156 1
53 . 1 . 1 8 8 CYS H H 1 7.906 0.001 . 1 . . . . A 8 CYS H . 31156 1
54 . 1 . 1 8 8 CYS HA H 1 4.397 0.012 . 1 . . . . A 8 CYS HA . 31156 1
55 . 1 . 1 8 8 CYS HB2 H 1 3.853 0.020 . 2 . . . . A 8 CYS HB2 . 31156 1
56 . 1 . 1 8 8 CYS HB3 H 1 3.296 0.008 . 2 . . . . A 8 CYS HB3 . 31156 1
57 . 1 . 1 8 8 CYS CA C 13 58.834 0.000 . 1 . . . . A 8 CYS CA . 31156 1
58 . 1 . 1 8 8 CYS CB C 13 42.230 0.016 . 1 . . . . A 8 CYS CB . 31156 1
59 . 1 . 1 9 9 SER H H 1 8.658 0.001 . 1 . . . . A 9 SER H . 31156 1
60 . 1 . 1 9 9 SER HA H 1 4.144 0.009 . 1 . . . . A 9 SER HA . 31156 1
61 . 1 . 1 9 9 SER HB2 H 1 3.986 0.003 . 2 . . . . A 9 SER HB2 . 31156 1
62 . 1 . 1 9 9 SER HB3 H 1 3.986 0.003 . 2 . . . . A 9 SER HB3 . 31156 1
63 . 1 . 1 9 9 SER CA C 13 60.647 0.000 . 1 . . . . A 9 SER CA . 31156 1
64 . 1 . 1 9 9 SER CB C 13 63.339 0.000 . 1 . . . . A 9 SER CB . 31156 1
65 . 1 . 1 9 9 SER N N 15 117.641 0.000 . 1 . . . . A 9 SER N . 31156 1
66 . 1 . 1 10 10 ARG H H 1 7.990 0.002 . 1 . . . . A 10 ARG H . 31156 1
67 . 1 . 1 10 10 ARG HA H 1 4.215 0.006 . 1 . . . . A 10 ARG HA . 31156 1
68 . 1 . 1 10 10 ARG HB2 H 1 1.895 0.002 . 2 . . . . A 10 ARG HB2 . 31156 1
69 . 1 . 1 10 10 ARG HB3 H 1 1.893 0.001 . 2 . . . . A 10 ARG HB3 . 31156 1
70 . 1 . 1 10 10 ARG HG2 H 1 1.700 0.002 . 2 . . . . A 10 ARG HG2 . 31156 1
71 . 1 . 1 10 10 ARG HG3 H 1 1.700 0.002 . 2 . . . . A 10 ARG HG3 . 31156 1
72 . 1 . 1 10 10 ARG CA C 13 57.925 0.000 . 1 . . . . A 10 ARG CA . 31156 1
73 . 1 . 1 10 10 ARG CB C 13 30.158 0.000 . 1 . . . . A 10 ARG CB . 31156 1
74 . 1 . 1 10 10 ARG CG C 13 27.413 0.000 . 1 . . . . A 10 ARG CG . 31156 1
75 . 1 . 1 10 10 ARG N N 15 119.581 0.000 . 1 . . . . A 10 ARG N . 31156 1
76 . 1 . 1 11 11 ARG H H 1 7.621 0.003 . 1 . . . . A 11 ARG H . 31156 1
77 . 1 . 1 11 11 ARG HA H 1 4.314 0.004 . 1 . . . . A 11 ARG HA . 31156 1
78 . 1 . 1 11 11 ARG HB2 H 1 1.980 0.002 . 2 . . . . A 11 ARG HB2 . 31156 1
79 . 1 . 1 11 11 ARG HB3 H 1 1.919 0.009 . 2 . . . . A 11 ARG HB3 . 31156 1
80 . 1 . 1 11 11 ARG HG2 H 1 1.753 0.001 . 2 . . . . A 11 ARG HG2 . 31156 1
81 . 1 . 1 11 11 ARG HG3 H 1 1.672 0.002 . 2 . . . . A 11 ARG HG3 . 31156 1
82 . 1 . 1 11 11 ARG HD2 H 1 3.252 0.000 . 2 . . . . A 11 ARG HD2 . 31156 1
83 . 1 . 1 11 11 ARG HD3 H 1 3.252 0.000 . 2 . . . . A 11 ARG HD3 . 31156 1
84 . 1 . 1 11 11 ARG CA C 13 57.171 0.000 . 1 . . . . A 11 ARG CA . 31156 1
85 . 1 . 1 11 11 ARG N N 15 118.327 0.000 . 1 . . . . A 11 ARG N . 31156 1
86 . 1 . 1 12 12 ARG H H 1 7.954 0.004 . 1 . . . . A 12 ARG H . 31156 1
87 . 1 . 1 12 12 ARG HA H 1 4.504 0.006 . 1 . . . . A 12 ARG HA . 31156 1
88 . 1 . 1 12 12 ARG HB2 H 1 1.939 0.005 . 2 . . . . A 12 ARG HB2 . 31156 1
89 . 1 . 1 12 12 ARG HB3 H 1 1.756 0.007 . 2 . . . . A 12 ARG HB3 . 31156 1
90 . 1 . 1 12 12 ARG HG2 H 1 1.738 0.011 . 2 . . . . A 12 ARG HG2 . 31156 1
91 . 1 . 1 12 12 ARG HG3 H 1 1.614 0.003 . 2 . . . . A 12 ARG HG3 . 31156 1
92 . 1 . 1 12 12 ARG HD2 H 1 3.214 0.000 . 2 . . . . A 12 ARG HD2 . 31156 1
93 . 1 . 1 12 12 ARG HD3 H 1 3.214 0.000 . 2 . . . . A 12 ARG HD3 . 31156 1
94 . 1 . 1 12 12 ARG CA C 13 55.378 0.000 . 1 . . . . A 12 ARG CA . 31156 1
95 . 1 . 1 12 12 ARG N N 15 120.789 0.000 . 1 . . . . A 12 ARG N . 31156 1
96 . 1 . 1 13 13 ALA H H 1 7.933 0.001 . 1 . . . . A 13 ALA H . 31156 1
97 . 1 . 1 13 13 ALA HA H 1 4.167 0.009 . 1 . . . . A 13 ALA HA . 31156 1
98 . 1 . 1 13 13 ALA HB1 H 1 1.444 0.003 . 1 . . . . A 13 ALA HB1 . 31156 1
99 . 1 . 1 13 13 ALA HB2 H 1 1.444 0.003 . 1 . . . . A 13 ALA HB2 . 31156 1
100 . 1 . 1 13 13 ALA HB3 H 1 1.444 0.003 . 1 . . . . A 13 ALA HB3 . 31156 1
101 . 1 . 1 13 13 ALA CA C 13 54.504 0.000 . 1 . . . . A 13 ALA CA . 31156 1
102 . 1 . 1 13 13 ALA CB C 13 18.914 0.000 . 1 . . . . A 13 ALA CB . 31156 1
103 . 1 . 1 14 14 ARG H H 1 8.420 0.002 . 1 . . . . A 14 ARG H . 31156 1
104 . 1 . 1 14 14 ARG HA H 1 4.238 0.002 . 1 . . . . A 14 ARG HA . 31156 1
105 . 1 . 1 14 14 ARG HB2 H 1 1.865 0.003 . 2 . . . . A 14 ARG HB2 . 31156 1
106 . 1 . 1 14 14 ARG HB3 H 1 1.865 0.003 . 2 . . . . A 14 ARG HB3 . 31156 1
107 . 1 . 1 14 14 ARG HG2 H 1 1.680 0.006 . 2 . . . . A 14 ARG HG2 . 31156 1
108 . 1 . 1 14 14 ARG HG3 H 1 1.680 0.006 . 2 . . . . A 14 ARG HG3 . 31156 1
109 . 1 . 1 14 14 ARG CA C 13 57.543 0.000 . 1 . . . . A 14 ARG CA . 31156 1
110 . 1 . 1 14 14 ARG N N 15 117.462 0.000 . 1 . . . . A 14 ARG N . 31156 1
111 . 1 . 1 15 15 SER H H 1 8.130 0.003 . 1 . . . . A 15 SER H . 31156 1
112 . 1 . 1 15 15 SER HA H 1 4.453 0.006 . 1 . . . . A 15 SER HA . 31156 1
113 . 1 . 1 15 15 SER HB2 H 1 3.926 0.003 . 2 . . . . A 15 SER HB2 . 31156 1
114 . 1 . 1 15 15 SER HB3 H 1 3.926 0.003 . 2 . . . . A 15 SER HB3 . 31156 1
115 . 1 . 1 15 15 SER CA C 13 59.378 0.000 . 1 . . . . A 15 SER CA . 31156 1
116 . 1 . 1 15 15 SER CB C 13 63.694 0.000 . 1 . . . . A 15 SER CB . 31156 1
117 . 1 . 1 15 15 SER N N 15 114.385 0.000 . 1 . . . . A 15 SER N . 31156 1
118 . 1 . 1 16 16 CYS H H 1 8.271 0.001 . 1 . . . . A 16 CYS H . 31156 1
119 . 1 . 1 16 16 CYS HA H 1 4.776 0.008 . 1 . . . . A 16 CYS HA . 31156 1
120 . 1 . 1 16 16 CYS HB2 H 1 3.314 0.002 . 2 . . . . A 16 CYS HB2 . 31156 1
121 . 1 . 1 16 16 CYS HB3 H 1 2.858 0.005 . 2 . . . . A 16 CYS HB3 . 31156 1
122 . 1 . 1 16 16 CYS CB C 13 39.603 0.023 . 1 . . . . A 16 CYS CB . 31156 1
123 . 1 . 1 16 16 CYS N N 15 120.349 0.000 . 1 . . . . A 16 CYS N . 31156 1
stop_
save_