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 30792
_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 TOCSY' . . . 30792 1
2 '2D NOESY' . . . 30792 1
3 '2D COSY' . . . 30792 1
4 '2D 1H-15N HSQC' . . . 30792 1
5 '2D 1H-13C HSQC' . . . 30792 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 3.844301034 0 . 1 . . . . A 1 GLY HA2 . 30792 1
2 . 1 . 1 1 1 GLY HA3 H 1 3.89891087 0 . 1 . . . . A 1 GLY HA3 . 30792 1
3 . 1 . 1 2 2 CYS H H 1 8.885264312 0.0005437817951 . 1 . . . . A 2 CYS H . 30792 1
4 . 1 . 1 2 2 CYS HA H 1 5.512127531 0.001294304037 . 1 . . . . A 2 CYS HA . 30792 1
5 . 1 . 1 2 2 CYS HB2 H 1 3.004288172 0 . 1 . . . . A 2 CYS HB2 . 30792 1
6 . 1 . 1 2 2 CYS HB3 H 1 2.564235145 0 . 1 . . . . A 2 CYS HB3 . 30792 1
7 . 1 . 1 2 2 CYS CA C 13 56.05038041 0 . 1 . . . . A 2 CYS CA . 30792 1
8 . 1 . 1 3 3 HIS H H 1 9.062872565 0.0005584084169 . 1 . . . . A 3 HIS H . 30792 1
9 . 1 . 1 3 3 HIS HA H 1 4.893141559 0.007118433765 . 1 . . . . A 3 HIS HA . 30792 1
10 . 1 . 1 3 3 HIS HB2 H 1 3.28510702 0.0004082980142 . 1 . . . . A 3 HIS HB2 . 30792 1
11 . 1 . 1 3 3 HIS HB3 H 1 3.206459219 0.0002740098096 . 1 . . . . A 3 HIS HB3 . 30792 1
12 . 1 . 1 3 3 HIS HD2 H 1 7.157327628 0 . 1 . . . . A 3 HIS HD2 . 30792 1
13 . 1 . 1 3 3 HIS HE1 H 1 8.545707403 0 . 1 . . . . A 3 HIS HE1 . 30792 1
14 . 1 . 1 3 3 HIS CA C 13 54.46509284 0 . 1 . . . . A 3 HIS CA . 30792 1
15 . 1 . 1 3 3 HIS CB C 13 31.0613568 0.02479065883 . 1 . . . . A 3 HIS CB . 30792 1
16 . 1 . 1 4 4 TYR H H 1 9.128593919 0.0004118927991 . 1 . . . . A 4 TYR H . 30792 1
17 . 1 . 1 4 4 TYR HA H 1 4.438279469 0 . 1 . . . . A 4 TYR HA . 30792 1
18 . 1 . 1 4 4 TYR HB2 H 1 2.946228543 0.001080291178 . 1 . . . . A 4 TYR HB2 . 30792 1
19 . 1 . 1 4 4 TYR HB3 H 1 2.946228543 0.001080291178 . 1 . . . . A 4 TYR HB3 . 30792 1
20 . 1 . 1 4 4 TYR HD1 H 1 7.08879468 0 . 1 . . . . A 4 TYR HD1 . 30792 1
21 . 1 . 1 4 4 TYR HD2 H 1 7.08879468 0 . 1 . . . . A 4 TYR HD2 . 30792 1
22 . 1 . 1 4 4 TYR HE1 H 1 6.784023504 0 . 1 . . . . A 4 TYR HE1 . 30792 1
23 . 1 . 1 4 4 TYR HE2 H 1 6.784023504 0 . 1 . . . . A 4 TYR HE2 . 30792 1
24 . 1 . 1 4 4 TYR CB C 13 38.91385961 0 . 1 . . . . A 4 TYR CB . 30792 1
25 . 1 . 1 5 5 THR H H 1 7.6318626 0.0006806357294 . 1 . . . . A 5 THR H . 30792 1
26 . 1 . 1 5 5 THR HA H 1 4.977661289 1.581815639e-05 . 1 . . . . A 5 THR HA . 30792 1
27 . 1 . 1 5 5 THR HB H 1 4.599460636 0.001907735163 . 1 . . . . A 5 THR HB . 30792 1
28 . 1 . 1 5 5 THR HG21 H 1 1.24360708 0.001875878798 . 1 . . . . A 5 THR HG21 . 30792 1
29 . 1 . 1 5 5 THR HG22 H 1 1.24360708 0.001875878798 . 1 . . . . A 5 THR HG22 . 30792 1
30 . 1 . 1 5 5 THR HG23 H 1 1.24360708 0.001875878798 . 1 . . . . A 5 THR HG23 . 30792 1
31 . 1 . 1 5 5 THR CA C 13 59.92798033 0 . 1 . . . . A 5 THR CA . 30792 1
32 . 1 . 1 5 5 THR CB C 13 70.85087728 0 . 1 . . . . A 5 THR CB . 30792 1
33 . 1 . 1 5 5 THR CG2 C 13 21.71018812 0 . 1 . . . . A 5 THR CG2 . 30792 1
34 . 1 . 1 6 6 PRO HA H 1 4.286175247 0.003089647044 . 1 . . . . A 6 PRO HA . 30792 1
35 . 1 . 1 6 6 PRO HB2 H 1 2.216963475 0.0004798893095 . 1 . . . . A 6 PRO HB2 . 30792 1
36 . 1 . 1 6 6 PRO HB3 H 1 1.115865333 0.001804087462 . 1 . . . . A 6 PRO HB3 . 30792 1
37 . 1 . 1 6 6 PRO HG2 H 1 1.894186427 0.0193077575 . 1 . . . . A 6 PRO HG2 . 30792 1
38 . 1 . 1 6 6 PRO HG3 H 1 1.917625127 0 . 1 . . . . A 6 PRO HG3 . 30792 1
39 . 1 . 1 6 6 PRO HD2 H 1 3.631325332 0.002371673351 . 1 . . . . A 6 PRO HD2 . 30792 1
40 . 1 . 1 6 6 PRO HD3 H 1 3.892776776 0.0009818901637 . 1 . . . . A 6 PRO HD3 . 30792 1
41 . 1 . 1 6 6 PRO CA C 13 64.58585551 0 . 1 . . . . A 6 PRO CA . 30792 1
42 . 1 . 1 6 6 PRO CB C 13 31.84726524 0 . 1 . . . . A 6 PRO CB . 30792 1
43 . 1 . 1 7 7 PHE H H 1 7.604227228 0.0005714824212 . 1 . . . . A 7 PHE H . 30792 1
44 . 1 . 1 7 7 PHE HA H 1 4.692508588 0.001626362822 . 1 . . . . A 7 PHE HA . 30792 1
45 . 1 . 1 7 7 PHE HB2 H 1 3.387743398 0.001328960259 . 1 . . . . A 7 PHE HB2 . 30792 1
46 . 1 . 1 7 7 PHE HB3 H 1 2.667514718 0.002282087993 . 1 . . . . A 7 PHE HB3 . 30792 1
47 . 1 . 1 7 7 PHE HD1 H 1 7.22212235 0.001268280649 . 1 . . . . A 7 PHE HD1 . 30792 1
48 . 1 . 1 7 7 PHE HD2 H 1 7.22212235 0.001268280649 . 1 . . . . A 7 PHE HD2 . 30792 1
49 . 1 . 1 7 7 PHE CA C 13 56.51017945 0 . 1 . . . . A 7 PHE CA . 30792 1
50 . 1 . 1 7 7 PHE CB C 13 38.98852204 0.0395834412 . 1 . . . . A 7 PHE CB . 30792 1
51 . 1 . 1 8 8 GLY H H 1 7.590651582 1.809862429e-06 . 1 . . . . A 8 GLY H . 30792 1
52 . 1 . 1 8 8 GLY HA2 H 1 3.803653569 0 . 1 . . . . A 8 GLY HA2 . 30792 1
53 . 1 . 1 8 8 GLY HA3 H 1 4.523674145 0.0003222421528 . 1 . . . . A 8 GLY HA3 . 30792 1
54 . 1 . 1 8 8 GLY CA C 13 43.78136933 0 . 1 . . . . A 8 GLY CA . 30792 1
55 . 1 . 1 9 9 LEU H H 1 8.668117104 0.0008258612837 . 1 . . . . A 9 LEU H . 30792 1
56 . 1 . 1 9 9 LEU HA H 1 4.312311887 0.0006621347407 . 1 . . . . A 9 LEU HA . 30792 1
57 . 1 . 1 9 9 LEU HB2 H 1 1.633526109 0 . 1 . . . . A 9 LEU HB2 . 30792 1
58 . 1 . 1 9 9 LEU HB3 H 1 1.631484256 0.002041852479 . 1 . . . . A 9 LEU HB3 . 30792 1
59 . 1 . 1 9 9 LEU HG H 1 1.318156954 0.00327874419 . 1 . . . . A 9 LEU HG . 30792 1
60 . 1 . 1 9 9 LEU HD11 H 1 0.3773753739 0.004626978949 . 1 . . . . A 9 LEU HD11 . 30792 1
61 . 1 . 1 9 9 LEU HD12 H 1 0.3773753739 0.004626978949 . 1 . . . . A 9 LEU HD12 . 30792 1
62 . 1 . 1 9 9 LEU HD13 H 1 0.3773753739 0.004626978949 . 1 . . . . A 9 LEU HD13 . 30792 1
63 . 1 . 1 9 9 LEU HD21 H 1 0.7376999319 0.0001951926687 . 1 . . . . A 9 LEU HD21 . 30792 1
64 . 1 . 1 9 9 LEU HD22 H 1 0.7376999319 0.0001951926687 . 1 . . . . A 9 LEU HD22 . 30792 1
65 . 1 . 1 9 9 LEU HD23 H 1 0.7376999319 0.0001951926687 . 1 . . . . A 9 LEU HD23 . 30792 1
66 . 1 . 1 9 9 LEU CA C 13 55.26826631 0 . 1 . . . . A 9 LEU CA . 30792 1
67 . 1 . 1 9 9 LEU CB C 13 42.73682042 0 . 1 . . . . A 9 LEU CB . 30792 1
68 . 1 . 1 9 9 LEU CG C 13 26.51414659 0 . 1 . . . . A 9 LEU CG . 30792 1
69 . 1 . 1 9 9 LEU CD1 C 13 24.95208013 0 . 1 . . . . A 9 LEU CD1 . 30792 1
70 . 1 . 1 9 9 LEU CD2 C 13 24.95208013 0 . 1 . . . . A 9 LEU CD2 . 30792 1
71 . 1 . 1 10 10 ILE H H 1 8.619238296 0.0008385319294 . 1 . . . . A 10 ILE H . 30792 1
72 . 1 . 1 10 10 ILE HA H 1 4.441321654 3.649897614e-05 . 1 . . . . A 10 ILE HA . 30792 1
73 . 1 . 1 10 10 ILE HB H 1 1.625547889 0.0009460283269 . 1 . . . . A 10 ILE HB . 30792 1
74 . 1 . 1 10 10 ILE HG12 H 1 1.398072166 0.004076485457 . 1 . . . . A 10 ILE HG12 . 30792 1
75 . 1 . 1 10 10 ILE HG13 H 1 1.223651647 0.002904513262 . 1 . . . . A 10 ILE HG13 . 30792 1
76 . 1 . 1 10 10 ILE HG21 H 1 0.8032132462 0.002256797191 . 1 . . . . A 10 ILE HG21 . 30792 1
77 . 1 . 1 10 10 ILE HG22 H 1 0.8032132462 0.002256797191 . 1 . . . . A 10 ILE HG22 . 30792 1
78 . 1 . 1 10 10 ILE HG23 H 1 0.8032132462 0.002256797191 . 1 . . . . A 10 ILE HG23 . 30792 1
79 . 1 . 1 10 10 ILE HD11 H 1 0.7764001966 0 . 1 . . . . A 10 ILE HD11 . 30792 1
80 . 1 . 1 10 10 ILE HD12 H 1 0.7764001966 0 . 1 . . . . A 10 ILE HD12 . 30792 1
81 . 1 . 1 10 10 ILE HD13 H 1 0.7764001966 0 . 1 . . . . A 10 ILE HD13 . 30792 1
82 . 1 . 1 10 10 ILE CA C 13 59.96588554 0 . 1 . . . . A 10 ILE CA . 30792 1
83 . 1 . 1 10 10 ILE CB C 13 39.66381167 0 . 1 . . . . A 10 ILE CB . 30792 1
84 . 1 . 1 10 10 ILE CG1 C 13 27.1691076 0.003195750948 . 1 . . . . A 10 ILE CG1 . 30792 1
85 . 1 . 1 10 10 ILE CG2 C 13 17.42905916 0 . 1 . . . . A 10 ILE CG2 . 30792 1
86 . 1 . 1 11 11 CYS H H 1 8.811639005 3.971995569e-05 . 1 . . . . A 11 CYS H . 30792 1
87 . 1 . 1 11 11 CYS HA H 1 5.217386402 0.0006903692202 . 1 . . . . A 11 CYS HA . 30792 1
88 . 1 . 1 11 11 CYS HB2 H 1 2.930827733 0.001530212664 . 1 . . . . A 11 CYS HB2 . 30792 1
89 . 1 . 1 11 11 CYS HB3 H 1 2.929297521 0 . 1 . . . . A 11 CYS HB3 . 30792 1
90 . 1 . 1 11 11 CYS CA C 13 55.27157583 0 . 1 . . . . A 11 CYS CA . 30792 1
91 . 1 . 1 11 11 CYS CB C 13 46.65354355 0 . 1 . . . . A 11 CYS CB . 30792 1
92 . 1 . 1 12 12 PHE H H 1 8.061565027 0.0007001973138 . 1 . . . . A 12 PHE H . 30792 1
93 . 1 . 1 12 12 PHE HA H 1 4.628647179 0.0009184025772 . 1 . . . . A 12 PHE HA . 30792 1
94 . 1 . 1 12 12 PHE HB2 H 1 3.195439641 0.002081109267 . 1 . . . . A 12 PHE HB2 . 30792 1
95 . 1 . 1 12 12 PHE HB3 H 1 3.098308881 0.003468487898 . 1 . . . . A 12 PHE HB3 . 30792 1
96 . 1 . 1 12 12 PHE CA C 13 58.32509972 0 . 1 . . . . A 12 PHE CA . 30792 1
97 . 1 . 1 12 12 PHE CB C 13 40.38150865 0.009407508258 . 1 . . . . A 12 PHE CB . 30792 1
stop_
save_