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Added necessary statis file for tutorial documentation.
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data_15000 | ||
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####################### | ||
# Entry information # | ||
####################### | ||
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save_entry_information | ||
_Entry.Sf_category entry_information | ||
_Entry.Sf_framecode entry_information | ||
_Entry.ID 15000 | ||
_Entry.Title | ||
; | ||
Solution structure of chicken villin headpiece subdomain containing a fluorinated side chain in the core | ||
; | ||
_Entry.Type macromolecule | ||
_Entry.Version_type original | ||
_Entry.Submission_date 2006-09-07 | ||
_Entry.Accession_date 2006-09-07 | ||
_Entry.Last_release_date . | ||
_Entry.Original_release_date . | ||
_Entry.Origination author | ||
_Entry.NMR_STAR_version 3.1.1.61 | ||
_Entry.Original_NMR_STAR_version . | ||
_Entry.Experimental_method NMR | ||
_Entry.Experimental_method_subtype solution | ||
_Entry.Details . | ||
_Entry.BMRB_internal_directory_name . | ||
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loop_ | ||
_Entry_author.Ordinal | ||
_Entry_author.Given_name | ||
_Entry_author.Family_name | ||
_Entry_author.First_initial | ||
_Entry_author.Middle_initials | ||
_Entry_author.Family_title | ||
_Entry_author.Entry_ID | ||
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1 Claudia Cornilescu . C. . 15000 | ||
2 Gabriel Cornilescu . . . 15000 | ||
3 Erik Hadley . B. . 15000 | ||
4 Samuel Gellman . H. . 15000 | ||
5 John Markley . L. . 15000 | ||
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stop_ | ||
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loop_ | ||
_Datum.Type | ||
_Datum.Count | ||
_Datum.Entry_ID | ||
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'13C chemical shifts' 77 15000 | ||
'15N chemical shifts' 40 15000 | ||
'1H chemical shifts' 223 15000 | ||
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stop_ | ||
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save_ | ||
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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 15000 | ||
_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 | ||
_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 . | ||
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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 | ||
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1 . 1 1 2 2 SER H H 1 9.3070 0.01 . . . . . . 2 SER H . 15000 1 | ||
2 . 1 1 2 2 SER HA H 1 4.5970 0.01 . . . . . . 2 SER HA . 15000 1 | ||
3 . 1 1 2 2 SER HB2 H 1 4.3010 0.01 . . . . . . 2 SER HB2 . 15000 1 | ||
4 . 1 1 2 2 SER HB3 H 1 4.0550 0.01 . . . . . . 2 SER HB3 . 15000 1 | ||
5 . 1 1 2 2 SER CB C 13 64.6000 0.1 . . . . . . 2 SER CB . 15000 1 | ||
6 . 1 1 2 2 SER N N 15 121.5800 0.1 . . . . . . 2 SER N . 15000 1 | ||
7 . 1 1 3 3 ASP H H 1 8.0740 0.01 . . . . . . 3 ASP H . 15000 1 | ||
8 . 1 1 3 3 ASP HA H 1 4.5580 0.01 . . . . . . 3 ASP HA . 15000 1 | ||
9 . 1 1 3 3 ASP HB2 H 1 2.835 0.01 . . . . . . 3 ASP HB2 . 15000 1 | ||
10 . 1 1 3 3 ASP HB3 H 1 2.754 0.01 . . . . . . 3 ASP HB3 . 15000 1 | ||
11 . 1 1 3 3 ASP CA C 13 57.6400 0.1 . . . . . . 3 ASP CA . 15000 1 | ||
12 . 1 1 3 3 ASP N N 15 121.1040 0.1 . . . . . . 3 ASP N . 15000 1 | ||
13 . 1 1 4 4 GLU H H 1 8.6520 0.01 . . . . . . 4 GLU H . 15000 1 | ||
14 . 1 1 4 4 GLU HA H 1 4.1420 0.01 . . . . . . 4 GLU HA . 15000 1 | ||
15 . 1 1 4 4 GLU HB2 H 1 2.0520 0.01 . . . . . . 4 GLU HB2 . 15000 1 | ||
16 . 1 1 4 4 GLU HB3 H 1 2.0320 0.01 . . . . . . 4 GLU HB3 . 15000 1 | ||
17 . 1 1 4 4 GLU HG2 H 1 2.4540 0.01 . . . . . . 4 GLU HG2 . 15000 1 | ||
18 . 1 1 4 4 GLU CB C 13 28.1200 0.1 . . . . . . 4 GLU CB . 15000 1 | ||
19 . 1 1 4 4 GLU CG C 13 33.2720 0.1 . . . . . . 4 GLU CG . 15000 1 | ||
20 . 1 1 4 4 GLU N N 15 119.8900 0.1 . . . . . . 4 GLU N . 15000 1 | ||
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stop_ | ||
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save_ |
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