data_4592 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the syndecan-4 whole cytoplasmic domain in the presence of phosphatidylinositol 4,5-bisphosphate ; _BMRB_accession_number 4592 _BMRB_flat_file_name bmr4592.str _Entry_type original _Submission_date 2000-05-05 _Accession_date 2000-09-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Shin J. . . 2 Oh E. S. . 3 Lee D. . . 4 Couchman J. R. . 5 Lee W. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-03-06 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 4591 'free non-complex state' stop_ _Original_release_date 2001-03-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution Structure of a Syndecan-4 Cytoplasmic Domain and Its Interaction with Phosphatidylinositol 4,5-Bisphosphate ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 98250752 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lee D. . . 2 Oh E. S. . 3 Woods A. . . 4 Couchman J. R. . 5 Lee W. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'Journal of Biological Chemistry' _Journal_volume 273 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13022 _Page_last 13029 _Year 1998 _Details . loop_ _Keyword 'symmetric dimer' 'complexed with PIP2' stop_ save_ ################################## # Molecular system description # ################################## save_system_Syndecan_4_PIP2 _Saveframe_category molecular_system _Mol_system_name Syndecan_4 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Syndecan 4 monomer 1' $Syndecan_4 'Syndecan 4 monomer 2' $Syndecan_4 PIP2 $PT5 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'Syndecan 4 monomer 1' 1 'Syndecan 4 monomer 2' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Syndecan_4 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Syndecan 4' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 28 _Mol_residue_sequence ; RMKKKDEGSYDLGKKPIYKK APTNEFYA ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 MET 3 LYS 4 LYS 5 LYS 6 ASP 7 GLU 8 GLY 9 SER 10 TYR 11 ASP 12 LEU 13 GLY 14 LYS 15 LYS 16 PRO 17 ILE 18 TYR 19 LYS 20 LYS 21 ALA 22 PRO 23 THR 24 ASN 25 GLU 26 PHE 27 TYR 28 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-01 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4591 "Syndecan 4" 100.00 28 100.00 100.00 7.67e-10 PDB 1EJP "Solution Structure Of The Syndecan-4 Whole Cytoplasmic Domain" 100.00 28 100.00 100.00 7.67e-10 PDB 1EJQ "Solution Structure Of The Syndecan-4 Whole Cytoplasmic Domain In The Presence Of Phosphatidylinositol 4,5- Bisphosphate" 100.00 28 100.00 100.00 7.67e-10 PDB 1YBO "Crystal Structure Of The Pdz Tandem Of Human Syntenin With Syndecan Peptide" 60.71 17 100.00 100.00 7.71e-02 DBJ BAA02550 "ryudocan core protein precursor [Homo sapiens]" 100.00 198 100.00 100.00 6.57e-10 DBJ BAA19613 "ryudocan core protein [Homo sapiens]" 100.00 198 100.00 100.00 6.57e-10 DBJ BAA22135 "ryudocan core protein [Mus musculus]" 100.00 198 100.00 100.00 9.97e-10 DBJ BAA22136 "ryudocan core protein [Mus musculus]" 100.00 198 100.00 100.00 9.97e-10 DBJ BAD96415 "syndecan 4 precursor variant [Homo sapiens]" 100.00 198 100.00 100.00 4.56e-10 EMBL CAA47406 "amphiglycan [Homo sapiens]" 100.00 198 100.00 100.00 4.56e-10 EMBL CAG46842 "SDC4 [Homo sapiens]" 100.00 198 100.00 100.00 6.57e-10 EMBL CAG46871 "SDC4 [Homo sapiens]" 100.00 198 100.00 100.00 6.57e-10 EMBL CAH91121 "hypothetical protein [Pongo abelii]" 100.00 198 100.00 100.00 6.51e-10 GB AAA16479 "heparan sulfate proteoglycan [Gallus gallus]" 100.00 197 100.00 100.00 7.67e-10 GB AAA73167 "'anticoagulant active and inactive heparan sulfate proteoglycan coreprotein' [Rattus norvegicus]" 100.00 202 100.00 100.00 6.31e-10 GB AAB26725 "ryudocan [Rattus sp.]" 100.00 202 100.00 100.00 6.31e-10 GB AAH02312 "Sdc4 protein [Mus musculus]" 100.00 64 100.00 100.00 2.55e-10 GB AAH05679 "Syndecan 4 [Mus musculus]" 100.00 198 100.00 100.00 9.97e-10 REF NP_001007870 "syndecan-4 precursor [Gallus gallus]" 100.00 197 100.00 100.00 7.67e-10 REF NP_001127378 "syndecan-4 precursor [Pongo abelii]" 100.00 198 100.00 100.00 6.51e-10 REF NP_001162499 "syndecan-4 precursor [Papio anubis]" 100.00 198 100.00 100.00 5.45e-10 REF NP_001244363 "syndecan-4 precursor [Macaca mulatta]" 100.00 198 100.00 100.00 5.78e-10 REF NP_001269761 "syndecan-4 [Columba livia]" 100.00 195 100.00 100.00 8.56e-10 SP O35988 "RecName: Full=Syndecan-4; Short=SYND4; AltName: Full=Ryudocan core protein; Flags: Precursor" 100.00 198 100.00 100.00 9.97e-10 SP P31431 "RecName: Full=Syndecan-4; Short=SYND4; AltName: Full=Amphiglycan; AltName: Full=Ryudocan core protein; Flags: Precursor" 100.00 198 100.00 100.00 6.57e-10 SP P34901 "RecName: Full=Syndecan-4; Short=SYND4; AltName: Full=Ryudocan core protein; Flags: Precursor" 100.00 202 100.00 100.00 6.31e-10 SP P49416 "RecName: Full=Syndecan-4; Flags: Precursor" 100.00 197 100.00 100.00 7.67e-10 SP Q5RAT9 "RecName: Full=Syndecan-4; Short=SYND4; Flags: Precursor" 100.00 198 100.00 100.00 6.51e-10 TPG DAA22957 "TPA: syndecan 4-like [Bos taurus]" 100.00 199 100.00 100.00 6.74e-10 stop_ save_ ############# # Ligands # ############# save_PT5 _Saveframe_category ligand _Mol_type non-polymer _Name_common "PT5 ((1S)-2-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (8E,11E)-icosa-5,8,11,14-tetraenoate)" _BMRB_code . _PDB_code PT5 _Molecular_mass 1047.088 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Jun 10 14:25:34 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons O12 O12 O . 0 . ? P1 P1 P . 0 . ? O13 O13 O . 0 . ? O11 O11 O . 0 . ? O6 O6 O . 0 . ? O1 O1 O . 0 . ? C1 C1 C . 0 . ? C6 C6 C . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? C3 C3 C . 0 . ? O3 O3 O . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? P4 P4 P . 0 . ? O41 O41 O . 0 . ? O42 O42 O . 0 . ? O43 O43 O . 0 . ? C5 C5 C . 0 . ? O5 O5 O . 0 . ? P5 P5 P . 0 . ? O52 O52 O . 0 . ? O51 O51 O . 0 . ? O53 O53 O . 0 . ? C7 C7 C . 0 . ? C8 C8 C . 0 . ? C9 C9 C . 0 . ? O16 O16 O . 0 . ? C10 C10 C . 0 . ? O17 O17 O . 0 . ? O18 O18 O . 0 . ? C11 C11 C . 0 . ? O19 O19 O . 0 . ? C12 C12 C . 0 . ? C13 C13 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C20 C20 C . 0 . ? C21 C21 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C24 C24 C . 0 . ? C25 C25 C . 0 . ? C26 C26 C . 0 . ? C27 C27 C . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? C30 C30 C . 0 . ? C31 C31 C . 0 . ? C32 C32 C . 0 . ? C33 C33 C . 0 . ? C34 C34 C . 0 . ? C35 C35 C . 0 . ? C36 C36 C . 0 . ? C37 C37 C . 0 . ? C38 C38 C . 0 . ? C39 C39 C . 0 . ? C40 C40 C . 0 . ? C41 C41 C . 0 . ? C42 C42 C . 0 . ? C43 C43 C . 0 . ? C44 C44 C . 0 . ? C45 C45 C . 0 . ? C46 C46 C . 0 . ? C47 C47 C . 0 . ? HO12 HO12 H . 0 . ? HO6 HO6 H . 0 . ? H1 H1 H . 0 . ? H6 H6 H . 0 . ? H2 H2 H . 0 . ? HO2 HO2 H . 0 . ? H3 H3 H . 0 . ? HO3 HO3 H . 0 . ? H4 H4 H . 0 . ? HO41 HO41 H . 0 . ? HO43 HO43 H . 0 . ? H5 H5 H . 0 . ? HO52 HO52 H . 0 . ? HO53 HO53 H . 0 . ? H15 H15 H . 0 . ? H16 H16 H . 0 . ? H17 H17 H . 0 . ? H18 H18 H . 0 . ? H19 H19 H . 0 . ? H20 H20 H . 0 . ? H21 H21 H . 0 . ? H22 H22 H . 0 . ? H23 H23 H . 0 . ? H24 H24 H . 0 . ? H25 H25 H . 0 . ? H26 H26 H . 0 . ? H27 H27 H . 0 . ? H28 H28 H . 0 . ? H29 H29 H . 0 . ? H30 H30 H . 0 . ? H31 H31 H . 0 . ? H32 H32 H . 0 . ? H33 H33 H . 0 . ? H34 H34 H . 0 . ? H35 H35 H . 0 . ? H36 H36 H . 0 . ? H37 H37 H . 0 . ? H38 H38 H . 0 . ? H39 H39 H . 0 . ? H40 H40 H . 0 . ? H41 H41 H . 0 . ? H42 H42 H . 0 . ? H43 H43 H . 0 . ? H44 H44 H . 0 . ? H45 H45 H . 0 . ? H46 H46 H . 0 . ? H47 H47 H . 0 . ? H48 H48 H . 0 . ? H49 H49 H . 0 . ? H50 H50 H . 0 . ? H51 H51 H . 0 . ? H52 H52 H . 0 . ? H53 H53 H . 0 . ? H54 H54 H . 0 . ? H55 H55 H . 0 . ? H56 H56 H . 0 . ? H57 H57 H . 0 . ? H58 H58 H . 0 . ? H59 H59 H . 0 . ? H60 H60 H . 0 . ? H61 H61 H . 0 . ? H62 H62 H . 0 . ? H63 H63 H . 0 . ? H64 H64 H . 0 . ? H65 H65 H . 0 . ? H66 H66 H . 0 . ? H67 H67 H . 0 . ? H68 H68 H . 0 . ? H69 H69 H . 0 . ? H70 H70 H . 0 . ? H71 H71 H . 0 . ? H72 H72 H . 0 . ? H73 H73 H . 0 . ? H74 H74 H . 0 . ? H75 H75 H . 0 . ? H76 H76 H . 0 . ? H77 H77 H . 0 . ? H78 H78 H . 0 . ? H79 H79 H . 0 . ? H80 H80 H . 0 . ? H81 H81 H . 0 . ? H82 H82 H . 0 . ? H83 H83 H . 0 . ? H84 H84 H . 0 . ? H85 H85 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING P1 O12 ? ? SING P1 O1 ? ? SING P1 O13 ? ? SING O13 C7 ? ? DOUB O11 P1 ? ? SING O6 C6 ? ? SING C1 O1 ? ? SING C1 C2 ? ? SING C6 C1 ? ? SING C2 O2 ? ? SING C3 C2 ? ? SING C3 O3 ? ? SING C4 C3 ? ? SING O4 C4 ? ? SING P4 O4 ? ? SING P4 O41 ? ? SING P4 O43 ? ? DOUB O42 P4 ? ? SING C5 C6 ? ? SING C5 C4 ? ? SING C5 O5 ? ? SING P5 O5 ? ? SING P5 O53 ? ? SING P5 O52 ? ? DOUB O51 P5 ? ? SING C7 C8 ? ? SING C8 C9 ? ? SING C8 O16 ? ? SING O16 C10 ? ? DOUB C10 O17 ? ? SING C9 O18 ? ? SING O18 C11 ? ? DOUB C11 O19 ? ? SING C10 C12 ? ? SING C12 C13 ? ? SING C13 C14 ? ? SING C14 C15 ? ? DOUB C15 C16 ? ? SING C16 C17 ? ? SING C17 C18 ? ? DOUB C18 C19 ? ? SING C19 C20 ? ? SING C20 C21 ? ? DOUB C21 C22 ? ? SING C22 C23 ? ? SING C23 C24 ? ? DOUB C24 C25 ? ? SING C25 C26 ? ? SING C26 C27 ? ? SING C27 C28 ? ? SING C28 C29 ? ? SING C29 C30 ? ? SING C11 C31 ? ? SING C31 C32 ? ? SING C32 C33 ? ? SING C33 C34 ? ? SING C34 C35 ? ? SING C35 C36 ? ? SING C36 C37 ? ? SING C37 C38 ? ? SING C38 C39 ? ? SING C39 C40 ? ? SING C40 C41 ? ? SING C41 C42 ? ? SING C42 C43 ? ? SING C43 C44 ? ? SING C44 C45 ? ? SING C45 C46 ? ? SING C46 C47 ? ? SING O12 HO12 ? ? SING O6 HO6 ? ? SING C1 H1 ? ? SING C6 H6 ? ? SING C2 H2 ? ? SING O2 HO2 ? ? SING C3 H3 ? ? SING O3 HO3 ? ? SING C4 H4 ? ? SING O41 HO41 ? ? SING O43 HO43 ? ? SING C5 H5 ? ? SING O52 HO52 ? ? SING O53 HO53 ? ? SING C7 H15 ? ? SING C7 H16 ? ? SING C8 H17 ? ? SING C9 H18 ? ? SING C9 H19 ? ? SING C12 H20 ? ? SING C12 H21 ? ? SING C13 H22 ? ? SING C13 H23 ? ? SING C14 H24 ? ? SING C14 H25 ? ? SING C15 H26 ? ? SING C16 H27 ? ? SING C17 H28 ? ? SING C17 H29 ? ? SING C18 H30 ? ? SING C19 H31 ? ? SING C20 H32 ? ? SING C20 H33 ? ? SING C21 H34 ? ? SING C22 H35 ? ? SING C23 H36 ? ? SING C23 H37 ? ? SING C24 H38 ? ? SING C25 H39 ? ? SING C26 H40 ? ? SING C26 H41 ? ? SING C27 H42 ? ? SING C27 H43 ? ? SING C28 H44 ? ? SING C28 H45 ? ? SING C29 H46 ? ? SING C29 H47 ? ? SING C30 H48 ? ? SING C30 H49 ? ? SING C30 H50 ? ? SING C31 H51 ? ? SING C31 H52 ? ? SING C32 H53 ? ? SING C32 H54 ? ? SING C33 H55 ? ? SING C33 H56 ? ? SING C34 H57 ? ? SING C34 H58 ? ? SING C35 H59 ? ? SING C35 H60 ? ? SING C36 H61 ? ? SING C36 H62 ? ? SING C37 H63 ? ? SING C37 H64 ? ? SING C38 H65 ? ? SING C38 H66 ? ? SING C39 H67 ? ? SING C39 H68 ? ? SING C40 H69 ? ? SING C40 H70 ? ? SING C41 H71 ? ? SING C41 H72 ? ? SING C42 H73 ? ? SING C42 H74 ? ? SING C43 H75 ? ? SING C43 H76 ? ? SING C44 H77 ? ? SING C44 H78 ? ? SING C45 H79 ? ? SING C45 H80 ? ? SING C46 H81 ? ? SING C46 H82 ? ? SING C47 H83 ? ? SING C47 H84 ? ? SING C47 H85 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Syndecan_4 . . . . . . stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Syndecan_4 'not reported' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Syndecan_4 . mM 2 4 . $PT5 . mM 0.5 1 . 'phosphate buffer' 50 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Syndecan_4 . mM 2 4 . $PT5 . mM 0.5 1 . 'phosphate buffer' 50 mM . . . D2O 100 % . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.5 loop_ _Task 'data collection' 'data processing' stop_ _Details Bruker save_ save_Sparky _Saveframe_category software _Name Sparky _Version 3.6 loop_ _Task 'data analysis' stop_ _Details 'James, T.' save_ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.851 loop_ _Task refinement stop_ _Details 'Brunger, A.T' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_DQF_COSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'DQF COSY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name 'DQF COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.4 . n/a temperature 298 . K 'ionic strength' 50 . mM pressure 1 . atm stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_ref_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label . H 1 . ppm . . . . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_ref_1 _Mol_system_component_name 'Syndecan 4 monomer 1' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 1 ARG HA H 3.90 . . 2 . 1 ARG HB2 H 1.83 . . 3 . 1 ARG HB3 H 1.83 . . 4 . 1 ARG HG2 H 1.58 . . 5 . 1 ARG HG3 H 1.58 . . 6 . 1 ARG HD2 H 3.24 . . 7 . 1 ARG HD3 H 3.24 . . 8 . 1 ARG HE H 3.24 . . 9 . 4 LYS H H 8.45 . . 10 . 4 LYS HA H 4.29 . . 11 . 4 LYS HB2 H 1.74 . . 12 . 4 LYS HB3 H 1.74 . . 13 . 4 LYS HG2 H 1.37 . . 14 . 4 LYS HG3 H 1.37 . . 15 . 5 LYS H H 8.19 . . 16 . 5 LYS HA H 4.21 . . 17 . 5 LYS HB2 H 1.70 . . 18 . 5 LYS HB3 H 1.70 . . 19 . 5 LYS HG2 H 1.42 . . 20 . 5 LYS HG3 H 1.42 . . 21 . 6 ASP H H 8.37 . . 22 . 6 ASP HA H 4.80 . . 23 . 6 ASP HB2 H 2.68 . . 24 . 6 ASP HB3 H 2.68 . . 25 . 7 GLU H H 8.35 . . 26 . 7 GLU HA H 4.26 . . 27 . 7 GLU HB2 H 1.97 . . 28 . 7 GLU HB3 H 1.97 . . 29 . 7 GLU HG2 H 2.24 . . 30 . 7 GLU HG3 H 2.24 . . 31 . 8 GLY H H 8.41 . . 32 . 8 GLY HA2 H 3.91 . . 33 . 8 GLY HA3 H 3.91 . . 34 . 9 SER H H 8.03 . . 35 . 9 SER HA H 4.40 . . 36 . 9 SER HB2 H 3.79 . . 37 . 9 SER HB3 H 3.79 . . 38 . 10 TYR H H 8.17 . . 39 . 10 TYR HA H 4.75 . . 40 . 10 TYR HB2 H 2.95 . . 41 . 10 TYR HB3 H 2.95 . . 42 . 10 TYR HD1 H 7.06 . . 43 . 10 TYR HD2 H 7.06 . . 44 . 10 TYR HE1 H 6.79 . . 45 . 10 TYR HE2 H 6.79 . . 46 . 11 ASP H H 7.95 . . 47 . 11 ASP HA H 4.45 . . 48 . 11 ASP HB2 H 2.54 . . 49 . 11 ASP HB3 H 2.66 . . 50 . 12 LEU H H 8.13 . . 51 . 12 LEU HA H 4.25 . . 52 . 12 LEU HB2 H 1.60 . . 53 . 12 LEU HB3 H 1.60 . . 54 . 12 LEU HG H 1.60 . . 55 . 12 LEU HD1 H 0.87 . . 56 . 12 LEU HD2 H 0.87 . . 57 . 13 GLY H H 8.46 . . 58 . 13 GLY HA2 H 3.93 . . 59 . 13 GLY HA3 H 3.93 . . 60 . 14 LYS H H 7.90 . . 61 . 14 LYS HA H 4.31 . . 62 . 14 LYS HB2 H 1.71 . . 63 . 14 LYS HB3 H 1.71 . . 64 . 14 LYS HG2 H 1.35 . . 65 . 14 LYS HG3 H 1.35 . . 66 . 14 LYS HD2 H 1.60 . . 67 . 14 LYS HD3 H 1.60 . . 68 . 14 LYS HE2 H 2.95 . . 69 . 14 LYS HE3 H 2.95 . . 70 . 15 LYS H H 8.20 . . 71 . 15 LYS HA H 4.57 . . 72 . 15 LYS HB2 H 1.70 . . 73 . 15 LYS HB3 H 1.70 . . 74 . 15 LYS HG2 H 1.40 . . 75 . 15 LYS HG3 H 1.40 . . 76 . 15 LYS HD2 H 1.65 . . 77 . 15 LYS HD3 H 1.65 . . 78 . 16 PRO HA H 4.37 . . 79 . 16 PRO HB2 H 2.16 . . 80 . 16 PRO HB3 H 1.70 . . 81 . 16 PRO HG2 H 1.94 . . 82 . 16 PRO HG3 H 1.94 . . 83 . 16 PRO HD2 H 3.75 . . 84 . 16 PRO HD3 H 3.61 . . 85 . 17 ILE H H 8.06 . . 86 . 17 ILE HA H 4.08 . . 87 . 17 ILE HB H 1.72 . . 88 . 17 ILE HG12 H 1.06 . . 89 . 17 ILE HG13 H 1.06 . . 90 . 17 ILE HG2 H 1.06 . . 91 . 17 ILE HD1 H 0.78 . . 92 . 18 TYR H H 8.19 . . 93 . 18 TYR HA H 4.57 . . 94 . 18 TYR HB2 H 2.95 . . 95 . 18 TYR HB3 H 2.95 . . 96 . 18 TYR HD1 H 7.07 . . 97 . 18 TYR HD2 H 7.07 . . 98 . 18 TYR HE1 H 6.79 . . 99 . 18 TYR HE2 H 6.79 . . 100 . 19 LYS H H 8.50 . . 101 . 19 LYS HA H 4.30 . . 102 . 19 LYS HB2 H 1.74 . . 103 . 19 LYS HB3 H 1.74 . . 104 . 19 LYS HG2 H 1.32 . . 105 . 19 LYS HG3 H 1.32 . . 106 . 19 LYS HE2 H 2.68 . . 107 . 19 LYS HE3 H 2.68 . . 108 . 20 LYS H H 8.14 . . 109 . 20 LYS HA H 4.28 . . 110 . 20 LYS HB2 H 1.62 . . 111 . 20 LYS HB3 H 1.62 . . 112 . 20 LYS HG2 H 1.23 . . 113 . 20 LYS HG3 H 1.23 . . 114 . 21 ALA H H 8.33 . . 115 . 21 ALA HA H 4.54 . . 116 . 21 ALA HB H 1.33 . . 117 . 22 PRO HA H 4.44 . . 118 . 22 PRO HB2 H 2.24 . . 119 . 22 PRO HB3 H 1.89 . . 120 . 22 PRO HG2 H 1.95 . . 121 . 22 PRO HG3 H 1.95 . . 122 . 22 PRO HD2 H 3.70 . . 123 . 22 PRO HD3 H 3.70 . . 124 . 23 THR H H 8.20 . . 125 . 23 THR HA H 4.29 . . 126 . 23 THR HG2 H 1.17 . . 127 . 24 ASN H H 8.37 . . 128 . 24 ASN HA H 4.80 . . 129 . 24 ASN HB2 H 2.68 . . 130 . 24 ASN HB3 H 2.68 . . 131 . 25 GLU H H 8.28 . . 132 . 25 GLU HA H 4.15 . . 133 . 25 GLU HB2 H 1.76 . . 134 . 25 GLU HB3 H 1.76 . . 135 . 25 GLU HG2 H 2.04 . . 136 . 25 GLU HG3 H 2.04 . . 137 . 26 PHE H H 8.13 . . 138 . 26 PHE HA H 4.53 . . 139 . 26 PHE HB2 H 2.95 . . 140 . 26 PHE HB3 H 2.95 . . 141 . 26 PHE HD1 H 6.79 . . 142 . 26 PHE HD2 H 6.79 . . 143 . 26 PHE HE1 H 7.11 . . 144 . 26 PHE HE2 H 7.11 . . 145 . 26 PHE HZ H 7.11 . . 146 . 27 TYR H H 7.94 . . 147 . 27 TYR HA H 4.53 . . 148 . 27 TYR HB2 H 3.05 . . 149 . 27 TYR HB3 H 2.85 . . 150 . 27 TYR HD1 H 7.27 . . 151 . 27 TYR HD2 H 7.27 . . 152 . 27 TYR HE1 H 7.12 . . 153 . 27 TYR HE2 H 7.12 . . 154 . 28 ALA H H 7.67 . . 155 . 28 ALA HA H 4.11 . . 156 . 28 ALA HB H 1.27 . . stop_ save_