data_15690 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15690 _Entry.Title ; The solution structure of the complex between MNK1 and HAH1 mediated by Cu(I) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-03-21 _Entry.Accession_date 2008-03-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.112 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . 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 1 Ivano Bertini . . . 15690 2 Lucia Banci . . . 15690 3 Isabella Felli . C. . 15690 4 Anna Pavelkova . . . 15690 5 Antonio Rosato . . . 15690 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'SPINE 2' 'CERM (Magnetic Resonance Center)' . 15690 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15690 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 564 15690 '15N chemical shifts' 137 15690 '1H chemical shifts' 907 15690 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-08-27 2008-03-21 update BMRB 'complete entry citation' 15690 1 . . 2009-06-10 2008-03-21 original author 'original release' 15690 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6266 Cu(I)-HAH1 15690 PDB 1KVJ Cu(I)-MNK1 15690 PDB 1TL4 Cu(I)-HAH1 15690 PDB 3CJK HAH1-Cd(II)-MNK1 15690 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 15690 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19453293 _Citation.Full_citation . _Citation.Title 'Copper(I)-mediated protein-protein interactions result from suboptimal interaction surfaces.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full 'The Biochemical journal' _Citation.Journal_volume 422 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 37 _Citation.Page_last 42 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Lucia Banci . . . 15690 1 2 Ivano Bertini . . . 15690 1 3 Vito Calderone . . . 15690 1 4 Nunzia Della?Malva . . . 15690 1 5 Isabella Felli . . . 15690 1 6 Sara Neri . . . 15690 1 7 Anna Pavelkova . . . 15690 1 8 Antonio Rosato . . . 15690 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATP7A 15690 1 HAH1 15690 1 MNK1 15690 1 'proten-protein interaction' 15690 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15690 _Assembly.ID 1 _Assembly.Name 'protein complex MNK1-Cu(I)-HAH1' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds yes _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'COPPER(I) ION' 3 $CU1 A . no na no no . . . 15690 1 2 MNK1 1 $MNK1 B . yes native no no . . . 15690 1 3 HAH1 2 $HAH1 C . yes native no no . . . 15690 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination single . 2 . 1 CYS 15 15 SG . 1 . 3 CU1 1 1 CU1 . . . . . . . . . . 15690 1 2 coordination single . 2 . 1 CYS 18 18 SG . 1 . 3 CU1 1 1 CU1 . . . . . . . . . . 15690 1 3 coordination single . 3 . 2 CYS 12 12 SG . 1 . 3 CU1 1 1 CU1 . . . . . . . . . . 15690 1 stop_ loop_ _Entity_deleted_atom.ID _Entity_deleted_atom.Entity_atom_list_ID _Entity_deleted_atom.Entity_assembly_ID _Entity_deleted_atom.Entity_ID _Entity_deleted_atom.Comp_ID _Entity_deleted_atom.Comp_index_ID _Entity_deleted_atom.Seq_ID _Entity_deleted_atom.Atom_ID _Entity_deleted_atom.Auth_entity_assembly_ID _Entity_deleted_atom.Auth_seq_ID _Entity_deleted_atom.Auth_comp_ID _Entity_deleted_atom.Auth_atom_ID _Entity_deleted_atom.Entry_ID _Entity_deleted_atom.Assembly_ID . . 3 2 CYS 12 12 HG . 12 CYS HG 15690 1 . . 2 1 CYS 18 18 HG . 18 CYS HG 15690 1 . . 2 1 CYS 15 15 HG . 15 CYS HG 15690 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 . . 'Slow exchange' 15690 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'copper homeostasis' 15690 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MNK1 _Entity.Sf_category entity _Entity.Sf_framecode MNK1 _Entity.Entry_ID 15690 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MNK1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGVNSVTISVEGMTCNSCVW TIEQQIGKVNGVHHIKVSLE EKNATIIYDPKLQTPKTLQE AIDDMGFDAVIHN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 73 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all other bound' _Entity.Src_method syn _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 1KVJ . ATP7A . . . . . . . . . . . . . . 15690 1 2 no PDB 1KVI . "Solution Structure Of The Reduced Form Of The First Heavy Metal Binding Motif Of The Menkes Protein" . . . . . 100.00 79 100.00 100.00 4.82e-45 . . . . 15690 1 3 no PDB 1KVJ . "Solution Structure Of The Cu(I) Bound Form Of The First Heavy Metal Binding Motif Of The Menkes Protein" . . . . . 100.00 79 100.00 100.00 4.82e-45 . . . . 15690 1 4 no PDB 2K1R . "The Solution Nmr Structure Of The Complex Between Mnk1 And Hah1 Mediated By Cu(I)" . . . . . 100.00 73 100.00 100.00 3.55e-45 . . . . 15690 1 5 no PDB 3CJK . "Crystal Structure Of The Adduct Hah1-Cd(Ii)-Mnk1" . . . . . 97.26 75 100.00 100.00 2.08e-43 . . . . 15690 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'the first soluble N-terminal domain of the P-type ATPase ATP7A' 15690 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15690 1 2 . GLY . 15690 1 3 . VAL . 15690 1 4 . ASN . 15690 1 5 . SER . 15690 1 6 . VAL . 15690 1 7 . THR . 15690 1 8 . ILE . 15690 1 9 . SER . 15690 1 10 . VAL . 15690 1 11 . GLU . 15690 1 12 . GLY . 15690 1 13 . MET . 15690 1 14 . THR . 15690 1 15 . CYS . 15690 1 16 . ASN . 15690 1 17 . SER . 15690 1 18 . CYS . 15690 1 19 . VAL . 15690 1 20 . TRP . 15690 1 21 . THR . 15690 1 22 . ILE . 15690 1 23 . GLU . 15690 1 24 . GLN . 15690 1 25 . GLN . 15690 1 26 . ILE . 15690 1 27 . GLY . 15690 1 28 . LYS . 15690 1 29 . VAL . 15690 1 30 . ASN . 15690 1 31 . GLY . 15690 1 32 . VAL . 15690 1 33 . HIS . 15690 1 34 . HIS . 15690 1 35 . ILE . 15690 1 36 . LYS . 15690 1 37 . VAL . 15690 1 38 . SER . 15690 1 39 . LEU . 15690 1 40 . GLU . 15690 1 41 . GLU . 15690 1 42 . LYS . 15690 1 43 . ASN . 15690 1 44 . ALA . 15690 1 45 . THR . 15690 1 46 . ILE . 15690 1 47 . ILE . 15690 1 48 . TYR . 15690 1 49 . ASP . 15690 1 50 . PRO . 15690 1 51 . LYS . 15690 1 52 . LEU . 15690 1 53 . GLN . 15690 1 54 . THR . 15690 1 55 . PRO . 15690 1 56 . LYS . 15690 1 57 . THR . 15690 1 58 . LEU . 15690 1 59 . GLN . 15690 1 60 . GLU . 15690 1 61 . ALA . 15690 1 62 . ILE . 15690 1 63 . ASP . 15690 1 64 . ASP . 15690 1 65 . MET . 15690 1 66 . GLY . 15690 1 67 . PHE . 15690 1 68 . ASP . 15690 1 69 . ALA . 15690 1 70 . VAL . 15690 1 71 . ILE . 15690 1 72 . HIS . 15690 1 73 . ASN . 15690 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15690 1 . GLY 2 2 15690 1 . VAL 3 3 15690 1 . ASN 4 4 15690 1 . SER 5 5 15690 1 . VAL 6 6 15690 1 . THR 7 7 15690 1 . ILE 8 8 15690 1 . SER 9 9 15690 1 . VAL 10 10 15690 1 . GLU 11 11 15690 1 . GLY 12 12 15690 1 . MET 13 13 15690 1 . THR 14 14 15690 1 . CYS 15 15 15690 1 . ASN 16 16 15690 1 . SER 17 17 15690 1 . CYS 18 18 15690 1 . VAL 19 19 15690 1 . TRP 20 20 15690 1 . THR 21 21 15690 1 . ILE 22 22 15690 1 . GLU 23 23 15690 1 . GLN 24 24 15690 1 . GLN 25 25 15690 1 . ILE 26 26 15690 1 . GLY 27 27 15690 1 . LYS 28 28 15690 1 . VAL 29 29 15690 1 . ASN 30 30 15690 1 . GLY 31 31 15690 1 . VAL 32 32 15690 1 . HIS 33 33 15690 1 . HIS 34 34 15690 1 . ILE 35 35 15690 1 . LYS 36 36 15690 1 . VAL 37 37 15690 1 . SER 38 38 15690 1 . LEU 39 39 15690 1 . GLU 40 40 15690 1 . GLU 41 41 15690 1 . LYS 42 42 15690 1 . ASN 43 43 15690 1 . ALA 44 44 15690 1 . THR 45 45 15690 1 . ILE 46 46 15690 1 . ILE 47 47 15690 1 . TYR 48 48 15690 1 . ASP 49 49 15690 1 . PRO 50 50 15690 1 . LYS 51 51 15690 1 . LEU 52 52 15690 1 . GLN 53 53 15690 1 . THR 54 54 15690 1 . PRO 55 55 15690 1 . LYS 56 56 15690 1 . THR 57 57 15690 1 . LEU 58 58 15690 1 . GLN 59 59 15690 1 . GLU 60 60 15690 1 . ALA 61 61 15690 1 . ILE 62 62 15690 1 . ASP 63 63 15690 1 . ASP 64 64 15690 1 . MET 65 65 15690 1 . GLY 66 66 15690 1 . PHE 67 67 15690 1 . ASP 68 68 15690 1 . ALA 69 69 15690 1 . VAL 70 70 15690 1 . ILE 71 71 15690 1 . HIS 72 72 15690 1 . ASN 73 73 15690 1 stop_ save_ save_HAH1 _Entity.Sf_category entity _Entity.Sf_framecode HAH1 _Entity.Entry_ID 15690 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name HAH1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MPKHEFSVDMTCGGCAEAVS RVLNKLGGVKYDIDLPNKKV CIESEHSMDTLLATLKKTGK TVSYLGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes BMRB 6266 . Cu(I)-HAH1 . . . . . . . . . . . . . . 15690 2 2 yes PDB 1TL4 . Cu(I)-HAH . . . . . . . . . . . . . . 15690 2 3 no BMRB 18299 . entity . . . . . 100.00 68 98.53 98.53 2.72e-40 . . . . 15690 2 4 no BMRB 6266 . ATOX1 . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 5 no PDB 1FE0 . "Crystal Structure Of Cadmium-Hah1" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 6 no PDB 1FE4 . "Crystal Structure Of Mercury-Hah1" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 7 no PDB 1FEE . "Crystal Structure Of Copper-Hah1" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 8 no PDB 1TL4 . "Solution Structure Of Cu(i) Hah1" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 9 no PDB 1TL5 . "Solution Structure Of Apohah1" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 10 no PDB 2K1R . "The Solution Nmr Structure Of The Complex Between Mnk1 And Hah1 Mediated By Cu(I)" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 11 no PDB 2LQ9 . "Solution Structure Of The K60a Mutant Of Atox1" . . . . . 100.00 68 98.53 98.53 2.72e-40 . . . . 15690 2 12 no PDB 3CJK . "Crystal Structure Of The Adduct Hah1-Cd(Ii)-Mnk1" . . . . . 98.53 68 100.00 100.00 3.86e-40 . . . . 15690 2 13 no PDB 3IWL . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (Monomer)" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 14 no PDB 3IWX . "Crystal Structure Of Cisplatin Bound To A Human Copper Chaperone (Dimer)" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 15 no DBJ BAF85752 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 16 no EMBL CAG33182 . "ATOX1 [Homo sapiens]" . . . . . 100.00 68 98.53 100.00 2.10e-40 . . . . 15690 2 17 no GB AAC51227 . "copper transport protein HAH1 [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 18 no GB AAI12249 . "Antioxidant protein 1 [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 19 no GB AAI12251 . "Antioxidant protein 1 [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 20 no GB AAN84554 . "ATX1-like protein [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 21 no GB AAP88788 . "ATX1 antioxidant protein 1 homolog (yeast) [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 22 no REF NP_004036 . "copper transport protein ATOX1 [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 23 no REF XP_001169183 . "PREDICTED: copper transport protein ATOX1 [Pan troglodytes]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 24 no REF XP_002816151 . "PREDICTED: copper transport protein ATOX1 [Pongo abelii]" . . . . . 100.00 68 98.53 100.00 2.52e-40 . . . . 15690 2 25 no REF XP_003276598 . "PREDICTED: copper transport protein ATOX1 [Nomascus leucogenys]" . . . . . 97.06 74 96.97 100.00 2.05e-37 . . . . 15690 2 26 no REF XP_003829035 . "PREDICTED: copper transport protein ATOX1 [Pan paniscus]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 27 no SP O00244 . "RecName: Full=Copper transport protein ATOX1; AltName: Full=Metal transport protein ATX1 [Homo sapiens]" . . . . . 100.00 68 100.00 100.00 5.62e-41 . . . . 15690 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Copper(I) metallochaperone' 15690 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 74 MET . 15690 2 2 75 PRO . 15690 2 3 76 LYS . 15690 2 4 77 HIS . 15690 2 5 78 GLU . 15690 2 6 79 PHE . 15690 2 7 80 SER . 15690 2 8 81 VAL . 15690 2 9 82 ASP . 15690 2 10 83 MET . 15690 2 11 84 THR . 15690 2 12 85 CYS . 15690 2 13 86 GLY . 15690 2 14 87 GLY . 15690 2 15 88 CYS . 15690 2 16 89 ALA . 15690 2 17 90 GLU . 15690 2 18 91 ALA . 15690 2 19 92 VAL . 15690 2 20 93 SER . 15690 2 21 94 ARG . 15690 2 22 95 VAL . 15690 2 23 96 LEU . 15690 2 24 97 ASN . 15690 2 25 98 LYS . 15690 2 26 99 LEU . 15690 2 27 100 GLY . 15690 2 28 101 GLY . 15690 2 29 102 VAL . 15690 2 30 103 LYS . 15690 2 31 104 TYR . 15690 2 32 105 ASP . 15690 2 33 106 ILE . 15690 2 34 107 ASP . 15690 2 35 108 LEU . 15690 2 36 109 PRO . 15690 2 37 110 ASN . 15690 2 38 111 LYS . 15690 2 39 112 LYS . 15690 2 40 113 VAL . 15690 2 41 114 CYS . 15690 2 42 115 ILE . 15690 2 43 116 GLU . 15690 2 44 117 SER . 15690 2 45 118 GLU . 15690 2 46 119 HIS . 15690 2 47 120 SER . 15690 2 48 121 MET . 15690 2 49 122 ASP . 15690 2 50 123 THR . 15690 2 51 124 LEU . 15690 2 52 125 LEU . 15690 2 53 126 ALA . 15690 2 54 127 THR . 15690 2 55 128 LEU . 15690 2 56 129 LYS . 15690 2 57 130 LYS . 15690 2 58 131 THR . 15690 2 59 132 GLY . 15690 2 60 133 LYS . 15690 2 61 134 THR . 15690 2 62 135 VAL . 15690 2 63 136 SER . 15690 2 64 137 TYR . 15690 2 65 138 LEU . 15690 2 66 139 GLY . 15690 2 67 140 LEU . 15690 2 68 141 GLU . 15690 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15690 2 . PRO 2 2 15690 2 . LYS 3 3 15690 2 . HIS 4 4 15690 2 . GLU 5 5 15690 2 . PHE 6 6 15690 2 . SER 7 7 15690 2 . VAL 8 8 15690 2 . ASP 9 9 15690 2 . MET 10 10 15690 2 . THR 11 11 15690 2 . CYS 12 12 15690 2 . GLY 13 13 15690 2 . GLY 14 14 15690 2 . CYS 15 15 15690 2 . ALA 16 16 15690 2 . GLU 17 17 15690 2 . ALA 18 18 15690 2 . VAL 19 19 15690 2 . SER 20 20 15690 2 . ARG 21 21 15690 2 . VAL 22 22 15690 2 . LEU 23 23 15690 2 . ASN 24 24 15690 2 . LYS 25 25 15690 2 . LEU 26 26 15690 2 . GLY 27 27 15690 2 . GLY 28 28 15690 2 . VAL 29 29 15690 2 . LYS 30 30 15690 2 . TYR 31 31 15690 2 . ASP 32 32 15690 2 . ILE 33 33 15690 2 . ASP 34 34 15690 2 . LEU 35 35 15690 2 . PRO 36 36 15690 2 . ASN 37 37 15690 2 . LYS 38 38 15690 2 . LYS 39 39 15690 2 . VAL 40 40 15690 2 . CYS 41 41 15690 2 . ILE 42 42 15690 2 . GLU 43 43 15690 2 . SER 44 44 15690 2 . GLU 45 45 15690 2 . HIS 46 46 15690 2 . SER 47 47 15690 2 . MET 48 48 15690 2 . ASP 49 49 15690 2 . THR 50 50 15690 2 . LEU 51 51 15690 2 . LEU 52 52 15690 2 . ALA 53 53 15690 2 . THR 54 54 15690 2 . LEU 55 55 15690 2 . LYS 56 56 15690 2 . LYS 57 57 15690 2 . THR 58 58 15690 2 . GLY 59 59 15690 2 . LYS 60 60 15690 2 . THR 61 61 15690 2 . VAL 62 62 15690 2 . SER 63 63 15690 2 . TYR 64 64 15690 2 . LEU 65 65 15690 2 . GLY 66 66 15690 2 . LEU 67 67 15690 2 . GLU 68 68 15690 2 stop_ save_ save_CU1 _Entity.Sf_category entity _Entity.Sf_framecode CU1 _Entity.Entry_ID 15690 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name CU1 _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CU1 _Entity.Nonpolymer_comp_label $chem_comp_CU1 _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CU1 . 15690 3 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15690 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $MNK1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'the first N-terminal copper(I)-binding domain of ATP7A' . . 15690 1 2 2 $HAH1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'the human copper(I) metallochaperone' . . 15690 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15690 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $MNK1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta pLys's (DE3)' . . . . . . . . . . . . . . . pET20 . . . . . . 15690 1 2 2 $HAH1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta pLys's (DE3)' . . . . . . . . . . . . . . . pET20 . . . . . . 15690 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CU1 _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CU1 _Chem_comp.Entry_ID 15690 _Chem_comp.ID CU1 _Chem_comp.Provenance . _Chem_comp.Name 'COPPER (I) ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CU1 _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code CU1 _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 1 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Cu _Chem_comp.Formula_weight 63.546 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Feb 15 18:28:42 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [Cu+] SMILES ACDLabs 10.04 15690 CU1 [Cu+] SMILES CACTVS 3.341 15690 CU1 [Cu+] SMILES 'OpenEye OEToolkits' 1.5.0 15690 CU1 [Cu+] SMILES_CANONICAL CACTVS 3.341 15690 CU1 [Cu+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 15690 CU1 InChI=1/Cu/q+1 InChI InChI 1.01 15690 CU1 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID copper(1+) 'SYSTEMATIC NAME' ACDLabs 10.04 15690 CU1 'copper(+1) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 15690 CU1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CU . CU . . CU . N . 1 . . . . no no . . . . . . . . . . . . . . . 15690 CU1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_HAH1-Cu(I)-MNK1 _Sample.Sf_category sample _Sample.Sf_framecode HAH1-Cu(I)-MNK1 _Sample.Entry_ID 15690 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MNK1 'natural abundance' . . 1 $MNK1 . . 0.6 . . mM . . . . 15690 1 2 HAH1 '[U-100% 13C; U-100% 15N]' . . 2 $HAH1 . . 0.6 . . mM . . . . 15690 1 3 'COPPER(I) ION' 'natural abundance' . . . . . . 0.6 . . mM . . . . 15690 1 stop_ save_ save_MNK1-Cu(I)-HAH1 _Sample.Sf_category sample _Sample.Sf_framecode MNK1-Cu(I)-HAH1 _Sample.Entry_ID 15690 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MNK1 '[U-100% 13C; U-100% 15N]' . . 1 $MNK1 . . 0.6 . . mM . . . . 15690 2 2 HAH1 'natural abundance' . . 2 $HAH1 . . 0.6 . . mM . . . . 15690 2 3 'COPPER(I) ION' 'natural abundance' . . . . . . 0.6 . . mM . . . . 15690 2 stop_ save_ save_MNK1-Cu(I)-HAH1_excess _Sample.Sf_category sample _Sample.Sf_framecode MNK1-Cu(I)-HAH1_excess _Sample.Entry_ID 15690 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; the components of the sample: phosphate buffer, DTT, Cu(I). The excess of one interacting partner shifting the equilibrium to the formation of the protein complex. Final molar ratio of DTT to protein was 2-5-fold. ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MNK1 '[U-99% 13C; U-99% 15N]' . . 1 $MNK1 . . 0.6 . . mM . . . . 15690 3 2 HAH1 'natural abundance' . . 2 $HAH1 . . 1.0 . . mM . . . . 15690 3 3 'COPPER(I) ION' 'natural abundance' . . . . . . 1.0 . . mM . . . . 15690 3 stop_ save_ save_HAH1-Cu(I)-MNK1_excess _Sample.Sf_category sample _Sample.Sf_framecode HAH1-Cu(I)-MNK1_excess _Sample.Entry_ID 15690 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MNK1 'natural abundance' . . 1 $MNK1 . . 1.0 . . mM . . . . 15690 4 2 HAH1 '[U-100% 13C; U-100% 15N]' . . 2 $HAH1 . . 0.6 . . mM . . . . 15690 4 3 'COPPER(I) ION' 'natural abundance' . . . . . . 1.0 . . mM . . . . 15690 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_MNK1-Cu(I)-HAH1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_MNK1-Cu(I)-HAH1 _Sample_condition_list.Entry_ID 15690 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 15690 1 pressure 1 . atm 15690 1 temperature 298 . K 15690 1 stop_ save_ save_conditions_HAH1-Cu(I)-MNK1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_HAH1-Cu(I)-MNK1 _Sample_condition_list.Entry_ID 15690 _Sample_condition_list.ID 2 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 15690 2 pressure 1 . atm 15690 2 temperature 298 . K 15690 2 stop_ save_ save_conditions_HAH1-Cu(I)-MNK1_excess _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_HAH1-Cu(I)-MNK1_excess _Sample_condition_list.Entry_ID 15690 _Sample_condition_list.ID 3 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 15690 3 pressure 1 . atm 15690 3 temperature 298 . K 15690 3 stop_ save_ save_conditions_MNK1-Cu(I)-HAH1_excess _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_MNK1-Cu(I)-HAH1_excess _Sample_condition_list.Entry_ID 15690 _Sample_condition_list.ID 4 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 15690 4 pressure 1 . atm 15690 4 temperature 298 . K 15690 4 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15690 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15690 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15690 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15690 _Software.ID 2 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 15690 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15690 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 15690 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 15690 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15690 3 'data analysis' 15690 3 'peak picking' 15690 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_6 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_6 _NMR_spectrometer.Entry_ID 15690 _NMR_spectrometer.ID 6 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15690 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 400 . . . 15690 1 2 spectrometer_2 Bruker Avance . 500 . . . 15690 1 3 spectrometer_3 Bruker Avance . 600 . . . 15690 1 4 spectrometer_4 Bruker Avance . 700 . . . 15690 1 5 spectrometer_5 Bruker Avance . 800 . . . 15690 1 6 spectrometer_6 Bruker Avance . 900 . . . 15690 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15690 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 6 $spectrometer_6 . . . . . . . . . . . . . . . . 15690 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 6 $spectrometer_6 . . . . . . . . . . . . . . . . 15690 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 4 '3D HNCO' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 5 '3D HNCACB' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 11 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 12 '3D HNCO' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 13 '3D HNCACB' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 5 $spectrometer_5 . . . . . . . . . . . . . . . . 15690 1 17 '13C-edited,13C-edited,13C,15N NOESY' no . . . . . . . . . . 2 $MNK1-Cu(I)-HAH1 isotropic . . 1 $conditions_MNK1-Cu(I)-HAH1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 18 '13C-edited,13C-edited,13C,15N-filtered NOESY' no . . . . . . . . . . 1 $HAH1-Cu(I)-MNK1 isotropic . . 2 $conditions_HAH1-Cu(I)-MNK1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15690 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15690 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 15690 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15690 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 15690 1 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 15690 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_MNK1-Cu(I)-HAH1 _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 . 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 4 '3D HNCO' . . . 15690 1 5 '3D HNCACB' . . . 15690 1 6 '3D HCCH-TOCSY' . . . 15690 1 11 '3D CBCA(CO)NH' . . . 15690 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 15690 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.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 . 2 1 1 1 MET HA H 1 4.20 0.02 . 1 . . . . 1 MET HA . 15690 1 2 . 2 1 1 1 MET HB2 H 1 2.06 0.02 . 2 . . . . 1 MET HB2 . 15690 1 3 . 2 1 1 1 MET HB3 H 1 1.99 0.02 . 2 . . . . 1 MET HB3 . 15690 1 4 . 2 1 1 1 MET HG2 H 1 2.11 0.02 . 2 . . . . 1 MET HG2 . 15690 1 5 . 2 1 1 1 MET HG3 H 1 2.26 0.02 . 2 . . . . 1 MET HG3 . 15690 1 6 . 2 1 1 1 MET C C 13 177.0 0.3 . 1 . . . . 1 MET C . 15690 1 7 . 2 1 1 1 MET CA C 13 56.2 0.3 . 1 . . . . 1 MET CA . 15690 1 8 . 2 1 1 1 MET CB C 13 29.9 0.3 . 1 . . . . 1 MET CB . 15690 1 9 . 2 1 1 1 MET CG C 13 36.2 0.3 . 1 . . . . 1 MET CG . 15690 1 10 . 2 1 2 2 GLY H H 1 8.39 0.02 . 1 . . . . 2 GLY H . 15690 1 11 . 2 1 2 2 GLY HA2 H 1 3.96 0.02 . 2 . . . . 2 GLY HA2 . 15690 1 12 . 2 1 2 2 GLY HA3 H 1 3.88 0.02 . 2 . . . . 2 GLY HA3 . 15690 1 13 . 2 1 2 2 GLY C C 13 173.4 0.3 . 1 . . . . 2 GLY C . 15690 1 14 . 2 1 2 2 GLY CA C 13 45.3 0.3 . 1 . . . . 2 GLY CA . 15690 1 15 . 2 1 2 2 GLY N N 15 109.9 0.3 . 1 . . . . 2 GLY N . 15690 1 16 . 2 1 3 3 VAL H H 1 7.76 0.02 . 1 . . . . 3 VAL H . 15690 1 17 . 2 1 3 3 VAL HA H 1 4.62 0.02 . 1 . . . . 3 VAL HA . 15690 1 18 . 2 1 3 3 VAL HB H 1 1.88 0.02 . 1 . . . . 3 VAL HB . 15690 1 19 . 2 1 3 3 VAL HG11 H 1 0.64 0.02 . 1 . . . . 3 VAL HG1 . 15690 1 20 . 2 1 3 3 VAL HG12 H 1 0.64 0.02 . 1 . . . . 3 VAL HG1 . 15690 1 21 . 2 1 3 3 VAL HG13 H 1 0.64 0.02 . 1 . . . . 3 VAL HG1 . 15690 1 22 . 2 1 3 3 VAL HG21 H 1 0.52 0.02 . 1 . . . . 3 VAL HG2 . 15690 1 23 . 2 1 3 3 VAL HG22 H 1 0.52 0.02 . 1 . . . . 3 VAL HG2 . 15690 1 24 . 2 1 3 3 VAL HG23 H 1 0.52 0.02 . 1 . . . . 3 VAL HG2 . 15690 1 25 . 2 1 3 3 VAL C C 13 175.0 0.3 . 1 . . . . 3 VAL C . 15690 1 26 . 2 1 3 3 VAL CA C 13 60.1 0.3 . 1 . . . . 3 VAL CA . 15690 1 27 . 2 1 3 3 VAL CB C 13 34.7 0.3 . 1 . . . . 3 VAL CB . 15690 1 28 . 2 1 3 3 VAL CG1 C 13 18.5 0.3 . 1 . . . . 3 VAL CG1 . 15690 1 29 . 2 1 3 3 VAL CG2 C 13 21.5 0.3 . 1 . . . . 3 VAL CG2 . 15690 1 30 . 2 1 3 3 VAL N N 15 113.7 0.3 . 1 . . . . 3 VAL N . 15690 1 31 . 2 1 4 4 ASN H H 1 8.59 0.02 . 1 . . . . 4 ASN H . 15690 1 32 . 2 1 4 4 ASN HA H 1 4.93 0.02 . 1 . . . . 4 ASN HA . 15690 1 33 . 2 1 4 4 ASN HB2 H 1 2.48 0.02 . 2 . . . . 4 ASN HB2 . 15690 1 34 . 2 1 4 4 ASN HB3 H 1 1.79 0.02 . 2 . . . . 4 ASN HB3 . 15690 1 35 . 2 1 4 4 ASN HD21 H 1 7.24 0.02 . 1 . . . . 4 ASN HD21 . 15690 1 36 . 2 1 4 4 ASN HD22 H 1 6.98 0.02 . 1 . . . . 4 ASN HD22 . 15690 1 37 . 2 1 4 4 ASN C C 13 171.8 0.3 . 1 . . . . 4 ASN C . 15690 1 38 . 2 1 4 4 ASN CA C 13 51.2 0.3 . 1 . . . . 4 ASN CA . 15690 1 39 . 2 1 4 4 ASN CB C 13 42.3 0.3 . 1 . . . . 4 ASN CB . 15690 1 40 . 2 1 4 4 ASN N N 15 121.6 0.3 . 1 . . . . 4 ASN N . 15690 1 41 . 2 1 4 4 ASN ND2 N 15 109.5 0.3 . 1 . . . . 4 ASN ND2 . 15690 1 42 . 2 1 5 5 SER H H 1 8.35 0.02 . 1 . . . . 5 SER H . 15690 1 43 . 2 1 5 5 SER HA H 1 5.91 0.02 . 1 . . . . 5 SER HA . 15690 1 44 . 2 1 5 5 SER HB2 H 1 3.58 0.02 . 2 . . . . 5 SER HB2 . 15690 1 45 . 2 1 5 5 SER HB3 H 1 3.61 0.02 . 2 . . . . 5 SER HB3 . 15690 1 46 . 2 1 5 5 SER C C 13 174.0 0.3 . 1 . . . . 5 SER C . 15690 1 47 . 2 1 5 5 SER CA C 13 56.1 0.3 . 1 . . . . 5 SER CA . 15690 1 48 . 2 1 5 5 SER CB C 13 66.1 0.3 . 1 . . . . 5 SER CB . 15690 1 49 . 2 1 5 5 SER N N 15 112.1 0.3 . 1 . . . . 5 SER N . 15690 1 50 . 2 1 6 6 VAL H H 1 9.26 0.02 . 1 . . . . 6 VAL H . 15690 1 51 . 2 1 6 6 VAL HA H 1 5.01 0.02 . 1 . . . . 6 VAL HA . 15690 1 52 . 2 1 6 6 VAL HB H 1 2.32 0.02 . 1 . . . . 6 VAL HB . 15690 1 53 . 2 1 6 6 VAL HG11 H 1 0.88 0.02 . 1 . . . . 6 VAL HG1 . 15690 1 54 . 2 1 6 6 VAL HG12 H 1 0.88 0.02 . 1 . . . . 6 VAL HG1 . 15690 1 55 . 2 1 6 6 VAL HG13 H 1 0.88 0.02 . 1 . . . . 6 VAL HG1 . 15690 1 56 . 2 1 6 6 VAL HG21 H 1 1.10 0.02 . 1 . . . . 6 VAL HG2 . 15690 1 57 . 2 1 6 6 VAL HG22 H 1 1.10 0.02 . 1 . . . . 6 VAL HG2 . 15690 1 58 . 2 1 6 6 VAL HG23 H 1 1.10 0.02 . 1 . . . . 6 VAL HG2 . 15690 1 59 . 2 1 6 6 VAL C C 13 171.5 0.3 . 1 . . . . 6 VAL C . 15690 1 60 . 2 1 6 6 VAL CA C 13 59.8 0.3 . 1 . . . . 6 VAL CA . 15690 1 61 . 2 1 6 6 VAL CB C 13 35.2 0.3 . 1 . . . . 6 VAL CB . 15690 1 62 . 2 1 6 6 VAL CG1 C 13 20.7 0.3 . 1 . . . . 6 VAL CG1 . 15690 1 63 . 2 1 6 6 VAL CG2 C 13 22.4 0.3 . 1 . . . . 6 VAL CG2 . 15690 1 64 . 2 1 6 6 VAL N N 15 124.2 0.3 . 1 . . . . 6 VAL N . 15690 1 65 . 2 1 7 7 THR H H 1 8.77 0.02 . 1 . . . . 7 THR H . 15690 1 66 . 2 1 7 7 THR HA H 1 5.36 0.02 . 1 . . . . 7 THR HA . 15690 1 67 . 2 1 7 7 THR HB H 1 3.98 0.02 . 1 . . . . 7 THR HB . 15690 1 68 . 2 1 7 7 THR HG21 H 1 1.09 0.02 . 1 . . . . 7 THR HG2 . 15690 1 69 . 2 1 7 7 THR HG22 H 1 1.09 0.02 . 1 . . . . 7 THR HG2 . 15690 1 70 . 2 1 7 7 THR HG23 H 1 1.09 0.02 . 1 . . . . 7 THR HG2 . 15690 1 71 . 2 1 7 7 THR C C 13 172.7 0.3 . 1 . . . . 7 THR C . 15690 1 72 . 2 1 7 7 THR CA C 13 61.8 0.3 . 1 . . . . 7 THR CA . 15690 1 73 . 2 1 7 7 THR CB C 13 69.9 0.3 . 1 . . . . 7 THR CB . 15690 1 74 . 2 1 7 7 THR CG2 C 13 21.2 0.3 . 1 . . . . 7 THR CG2 . 15690 1 75 . 2 1 7 7 THR N N 15 123.4 0.3 . 1 . . . . 7 THR N . 15690 1 76 . 2 1 8 8 ILE H H 1 9.39 0.02 . 1 . . . . 8 ILE H . 15690 1 77 . 2 1 8 8 ILE HA H 1 4.47 0.02 . 1 . . . . 8 ILE HA . 15690 1 78 . 2 1 8 8 ILE HB H 1 1.56 0.02 . 1 . . . . 8 ILE HB . 15690 1 79 . 2 1 8 8 ILE HD11 H 1 0.59 0.02 . 1 . . . . 8 ILE HD1 . 15690 1 80 . 2 1 8 8 ILE HD12 H 1 0.59 0.02 . 1 . . . . 8 ILE HD1 . 15690 1 81 . 2 1 8 8 ILE HD13 H 1 0.59 0.02 . 1 . . . . 8 ILE HD1 . 15690 1 82 . 2 1 8 8 ILE HG12 H 1 1.54 0.02 . 2 . . . . 8 ILE HG12 . 15690 1 83 . 2 1 8 8 ILE HG13 H 1 0.89 0.02 . 2 . . . . 8 ILE HG13 . 15690 1 84 . 2 1 8 8 ILE HG21 H 1 0.77 0.02 . 1 . . . . 8 ILE HG2 . 15690 1 85 . 2 1 8 8 ILE HG22 H 1 0.77 0.02 . 1 . . . . 8 ILE HG2 . 15690 1 86 . 2 1 8 8 ILE HG23 H 1 0.77 0.02 . 1 . . . . 8 ILE HG2 . 15690 1 87 . 2 1 8 8 ILE C C 13 175.6 0.3 . 1 . . . . 8 ILE C . 15690 1 88 . 2 1 8 8 ILE CA C 13 59.9 0.3 . 1 . . . . 8 ILE CA . 15690 1 89 . 2 1 8 8 ILE CB C 13 40.9 0.3 . 1 . . . . 8 ILE CB . 15690 1 90 . 2 1 8 8 ILE CD1 C 13 13.0 0.3 . 1 . . . . 8 ILE CD1 . 15690 1 91 . 2 1 8 8 ILE CG1 C 13 28.2 0.3 . 1 . . . . 8 ILE CG1 . 15690 1 92 . 2 1 8 8 ILE CG2 C 13 17.7 0.3 . 1 . . . . 8 ILE CG2 . 15690 1 93 . 2 1 8 8 ILE N N 15 128.4 0.3 . 1 . . . . 8 ILE N . 15690 1 94 . 2 1 9 9 SER H H 1 9.27 0.02 . 1 . . . . 9 SER H . 15690 1 95 . 2 1 9 9 SER HA H 1 4.76 0.02 . 1 . . . . 9 SER HA . 15690 1 96 . 2 1 9 9 SER HB2 H 1 4.02 0.02 . 2 . . . . 9 SER HB2 . 15690 1 97 . 2 1 9 9 SER HB3 H 1 3.84 0.02 . 2 . . . . 9 SER HB3 . 15690 1 98 . 2 1 9 9 SER C C 13 173.8 0.3 . 1 . . . . 9 SER C . 15690 1 99 . 2 1 9 9 SER CA C 13 59.8 0.3 . 1 . . . . 9 SER CA . 15690 1 100 . 2 1 9 9 SER CB C 13 63.3 0.3 . 1 . . . . 9 SER CB . 15690 1 101 . 2 1 9 9 SER N N 15 124.7 0.3 . 1 . . . . 9 SER N . 15690 1 102 . 2 1 10 10 VAL H H 1 8.39 0.02 . 1 . . . . 10 VAL H . 15690 1 103 . 2 1 10 10 VAL HA H 1 4.63 0.02 . 1 . . . . 10 VAL HA . 15690 1 104 . 2 1 10 10 VAL HB H 1 1.61 0.02 . 1 . . . . 10 VAL HB . 15690 1 105 . 2 1 10 10 VAL HG11 H 1 0.71 0.02 . 1 . . . . 10 VAL HG1 . 15690 1 106 . 2 1 10 10 VAL HG12 H 1 0.71 0.02 . 1 . . . . 10 VAL HG1 . 15690 1 107 . 2 1 10 10 VAL HG13 H 1 0.71 0.02 . 1 . . . . 10 VAL HG1 . 15690 1 108 . 2 1 10 10 VAL HG21 H 1 0.58 0.02 . 1 . . . . 10 VAL HG2 . 15690 1 109 . 2 1 10 10 VAL HG22 H 1 0.58 0.02 . 1 . . . . 10 VAL HG2 . 15690 1 110 . 2 1 10 10 VAL HG23 H 1 0.58 0.02 . 1 . . . . 10 VAL HG2 . 15690 1 111 . 2 1 10 10 VAL C C 13 175.0 0.3 . 1 . . . . 10 VAL C . 15690 1 112 . 2 1 10 10 VAL CA C 13 61.2 0.3 . 1 . . . . 10 VAL CA . 15690 1 113 . 2 1 10 10 VAL CB C 13 34.1 0.3 . 1 . . . . 10 VAL CB . 15690 1 114 . 2 1 10 10 VAL CG1 C 13 21.2 0.3 . 1 . . . . 10 VAL CG1 . 15690 1 115 . 2 1 10 10 VAL CG2 C 13 22.4 0.3 . 1 . . . . 10 VAL CG2 . 15690 1 116 . 2 1 10 10 VAL N N 15 125.8 0.3 . 1 . . . . 10 VAL N . 15690 1 117 . 2 1 11 11 GLU H H 1 8.92 0.02 . 1 . . . . 11 GLU H . 15690 1 118 . 2 1 11 11 GLU HA H 1 4.59 0.02 . 1 . . . . 11 GLU HA . 15690 1 119 . 2 1 11 11 GLU HB2 H 1 2.18 0.02 . 2 . . . . 11 GLU HB2 . 15690 1 120 . 2 1 11 11 GLU HB3 H 1 2.02 0.02 . 2 . . . . 11 GLU HB3 . 15690 1 121 . 2 1 11 11 GLU HG2 H 1 2.18 0.02 . 2 . . . . 11 GLU HG2 . 15690 1 122 . 2 1 11 11 GLU HG3 H 1 2.33 0.02 . 2 . . . . 11 GLU HG3 . 15690 1 123 . 2 1 11 11 GLU C C 13 176.8 0.3 . 1 . . . . 11 GLU C . 15690 1 124 . 2 1 11 11 GLU CA C 13 55.6 0.3 . 1 . . . . 11 GLU CA . 15690 1 125 . 2 1 11 11 GLU CB C 13 31.2 0.3 . 1 . . . . 11 GLU CB . 15690 1 126 . 2 1 11 11 GLU CG C 13 35.9 0.3 . 1 . . . . 11 GLU CG . 15690 1 127 . 2 1 11 11 GLU N N 15 126.9 0.3 . 1 . . . . 11 GLU N . 15690 1 128 . 2 1 12 12 GLY H H 1 8.65 0.02 . 1 . . . . 12 GLY H . 15690 1 129 . 2 1 12 12 GLY HA2 H 1 4.16 0.02 . 2 . . . . 12 GLY HA2 . 15690 1 130 . 2 1 12 12 GLY HA3 H 1 3.83 0.02 . 2 . . . . 12 GLY HA3 . 15690 1 131 . 2 1 12 12 GLY CA C 13 44.8 0.3 . 1 . . . . 12 GLY CA . 15690 1 132 . 2 1 12 12 GLY N N 15 107.9 0.3 . 1 . . . . 12 GLY N . 15690 1 133 . 2 1 13 13 MET H H 1 8.24 0.02 . 1 . . . . 13 MET H . 15690 1 134 . 2 1 13 13 MET HA H 1 4.67 0.02 . 1 . . . . 13 MET HA . 15690 1 135 . 2 1 13 13 MET HB2 H 1 1.74 0.02 . 1 . . . . 13 MET HB2 . 15690 1 136 . 2 1 13 13 MET HE1 H 1 1.82 0.02 . 1 . . . . 13 MET HE . 15690 1 137 . 2 1 13 13 MET HE2 H 1 1.82 0.02 . 1 . . . . 13 MET HE . 15690 1 138 . 2 1 13 13 MET HE3 H 1 1.82 0.02 . 1 . . . . 13 MET HE . 15690 1 139 . 2 1 13 13 MET HG2 H 1 1.83 0.02 . 1 . . . . 13 MET HG2 . 15690 1 140 . 2 1 13 13 MET CA C 13 56.2 0.3 . 1 . . . . 13 MET CA . 15690 1 141 . 2 1 13 13 MET CB C 13 29.9 0.3 . 1 . . . . 13 MET CB . 15690 1 142 . 2 1 13 13 MET CE C 13 16.2 0.3 . 1 . . . . 13 MET CE . 15690 1 143 . 2 1 13 13 MET CG C 13 31.2 0.3 . 1 . . . . 13 MET CG . 15690 1 144 . 2 1 13 13 MET N N 15 120.3 0.3 . 1 . . . . 13 MET N . 15690 1 145 . 2 1 14 14 THR HA H 1 4.55 0.02 . 1 . . . . 14 THR HA . 15690 1 146 . 2 1 14 14 THR HB H 1 4.49 0.02 . 1 . . . . 14 THR HB . 15690 1 147 . 2 1 14 14 THR HG21 H 1 1.17 0.02 . 1 . . . . 14 THR HG2 . 15690 1 148 . 2 1 14 14 THR HG22 H 1 1.17 0.02 . 1 . . . . 14 THR HG2 . 15690 1 149 . 2 1 14 14 THR HG23 H 1 1.17 0.02 . 1 . . . . 14 THR HG2 . 15690 1 150 . 2 1 14 14 THR CA C 13 62.4 0.3 . 1 . . . . 14 THR CA . 15690 1 151 . 2 1 14 14 THR CB C 13 69.9 0.3 . 1 . . . . 14 THR CB . 15690 1 152 . 2 1 14 14 THR CG2 C 13 21.2 0.3 . 1 . . . . 14 THR CG2 . 15690 1 153 . 2 1 17 17 SER HA H 1 4.39 0.02 . 1 . . . . 17 SER HA . 15690 1 154 . 2 1 17 17 SER HB2 H 1 4.12 0.02 . 2 . . . . 17 SER HB2 . 15690 1 155 . 2 1 17 17 SER HB3 H 1 4.40 0.02 . 2 . . . . 17 SER HB3 . 15690 1 156 . 2 1 17 17 SER CB C 13 62.4 0.3 . 1 . . . . 17 SER CB . 15690 1 157 . 2 1 18 18 CYS HA H 1 4.61 0.02 . 1 . . . . 18 CYS HA . 15690 1 158 . 2 1 18 18 CYS HB2 H 1 2.68 0.02 . 1 . . . . 18 CYS HB2 . 15690 1 159 . 2 1 18 18 CYS CA C 13 53.7 0.3 . 1 . . . . 18 CYS CA . 15690 1 160 . 2 1 18 18 CYS CB C 13 32.4 0.3 . 1 . . . . 18 CYS CB . 15690 1 161 . 2 1 19 19 VAL HA H 1 3.28 0.02 . 1 . . . . 19 VAL HA . 15690 1 162 . 2 1 19 19 VAL HB H 1 2.26 0.02 . 1 . . . . 19 VAL HB . 15690 1 163 . 2 1 19 19 VAL HG11 H 1 1.04 0.02 . 1 . . . . 19 VAL HG1 . 15690 1 164 . 2 1 19 19 VAL HG12 H 1 1.04 0.02 . 1 . . . . 19 VAL HG1 . 15690 1 165 . 2 1 19 19 VAL HG13 H 1 1.04 0.02 . 1 . . . . 19 VAL HG1 . 15690 1 166 . 2 1 19 19 VAL HG21 H 1 0.89 0.02 . 1 . . . . 19 VAL HG2 . 15690 1 167 . 2 1 19 19 VAL HG22 H 1 0.89 0.02 . 1 . . . . 19 VAL HG2 . 15690 1 168 . 2 1 19 19 VAL HG23 H 1 0.89 0.02 . 1 . . . . 19 VAL HG2 . 15690 1 169 . 2 1 19 19 VAL C C 13 177.2 0.3 . 1 . . . . 19 VAL C . 15690 1 170 . 2 1 19 19 VAL CA C 13 66.2 0.3 . 1 . . . . 19 VAL CA . 15690 1 171 . 2 1 19 19 VAL CB C 13 31.2 0.3 . 1 . . . . 19 VAL CB . 15690 1 172 . 2 1 19 19 VAL CG1 C 13 22.4 0.3 . 1 . . . . 19 VAL CG1 . 15690 1 173 . 2 1 19 19 VAL CG2 C 13 21.2 0.3 . 1 . . . . 19 VAL CG2 . 15690 1 174 . 2 1 20 20 TRP H H 1 7.84 0.02 . 1 . . . . 20 TRP H . 15690 1 175 . 2 1 20 20 TRP HA H 1 4.45 0.02 . 1 . . . . 20 TRP HA . 15690 1 176 . 2 1 20 20 TRP HB2 H 1 3.35 0.02 . 2 . . . . 20 TRP HB2 . 15690 1 177 . 2 1 20 20 TRP HB3 H 1 3.45 0.02 . 2 . . . . 20 TRP HB3 . 15690 1 178 . 2 1 20 20 TRP HD1 H 1 7.29 0.02 . 1 . . . . 20 TRP HD1 . 15690 1 179 . 2 1 20 20 TRP HE1 H 1 10.11 0.02 . 1 . . . . 20 TRP HE1 . 15690 1 180 . 2 1 20 20 TRP HE3 H 1 7.64 0.02 . 1 . . . . 20 TRP HE3 . 15690 1 181 . 2 1 20 20 TRP HH2 H 1 7.43 0.02 . 1 . . . . 20 TRP HH2 . 15690 1 182 . 2 1 20 20 TRP HZ2 H 1 7.43 0.02 . 1 . . . . 20 TRP HZ2 . 15690 1 183 . 2 1 20 20 TRP HZ3 H 1 7.17 0.02 . 1 . . . . 20 TRP HZ3 . 15690 1 184 . 2 1 20 20 TRP CA C 13 60.0 0.3 . 1 . . . . 20 TRP CA . 15690 1 185 . 2 1 20 20 TRP CB C 13 28.7 0.3 . 1 . . . . 20 TRP CB . 15690 1 186 . 2 1 20 20 TRP CD1 C 13 124.9 0.3 . 1 . . . . 20 TRP CD1 . 15690 1 187 . 2 1 20 20 TRP CE3 C 13 119.9 0.3 . 1 . . . . 20 TRP CE3 . 15690 1 188 . 2 1 20 20 TRP CZ2 C 13 112.4 0.3 . 1 . . . . 20 TRP CZ2 . 15690 1 189 . 2 1 20 20 TRP CZ3 C 13 119.9 0.3 . 1 . . . . 20 TRP CZ3 . 15690 1 190 . 2 1 20 20 TRP N N 15 117.8 0.3 . 1 . . . . 20 TRP N . 15690 1 191 . 2 1 20 20 TRP NE1 N 15 129.2 0.3 . 1 . . . . 20 TRP NE1 . 15690 1 192 . 2 1 21 21 THR H H 1 8.28 0.02 . 1 . . . . 21 THR H . 15690 1 193 . 2 1 21 21 THR HA H 1 3.84 0.02 . 1 . . . . 21 THR HA . 15690 1 194 . 2 1 21 21 THR HB H 1 4.38 0.02 . 1 . . . . 21 THR HB . 15690 1 195 . 2 1 21 21 THR HG21 H 1 1.38 0.02 . 1 . . . . 21 THR HG2 . 15690 1 196 . 2 1 21 21 THR HG22 H 1 1.38 0.02 . 1 . . . . 21 THR HG2 . 15690 1 197 . 2 1 21 21 THR HG23 H 1 1.38 0.02 . 1 . . . . 21 THR HG2 . 15690 1 198 . 2 1 21 21 THR C C 13 176.5 0.3 . 1 . . . . 21 THR C . 15690 1 199 . 2 1 21 21 THR CA C 13 67.0 0.3 . 1 . . . . 21 THR CA . 15690 1 200 . 2 1 21 21 THR CB C 13 68.8 0.3 . 1 . . . . 21 THR CB . 15690 1 201 . 2 1 21 21 THR CG2 C 13 21.2 0.3 . 1 . . . . 21 THR CG2 . 15690 1 202 . 2 1 21 21 THR N N 15 115.2 0.3 . 1 . . . . 21 THR N . 15690 1 203 . 2 1 22 22 ILE H H 1 7.89 0.02 . 1 . . . . 22 ILE H . 15690 1 204 . 2 1 22 22 ILE HA H 1 3.48 0.02 . 1 . . . . 22 ILE HA . 15690 1 205 . 2 1 22 22 ILE HB H 1 1.62 0.02 . 1 . . . . 22 ILE HB . 15690 1 206 . 2 1 22 22 ILE HD11 H 1 -0.12 0.02 . 1 . . . . 22 ILE HD1 . 15690 1 207 . 2 1 22 22 ILE HD12 H 1 -0.12 0.02 . 1 . . . . 22 ILE HD1 . 15690 1 208 . 2 1 22 22 ILE HD13 H 1 -0.12 0.02 . 1 . . . . 22 ILE HD1 . 15690 1 209 . 2 1 22 22 ILE HG21 H 1 0.57 0.02 . 1 . . . . 22 ILE HG2 . 15690 1 210 . 2 1 22 22 ILE HG22 H 1 0.57 0.02 . 1 . . . . 22 ILE HG2 . 15690 1 211 . 2 1 22 22 ILE HG23 H 1 0.57 0.02 . 1 . . . . 22 ILE HG2 . 15690 1 212 . 2 1 22 22 ILE C C 13 177.7 0.3 . 1 . . . . 22 ILE C . 15690 1 213 . 2 1 22 22 ILE CA C 13 66.4 0.3 . 1 . . . . 22 ILE CA . 15690 1 214 . 2 1 22 22 ILE CB C 13 38.2 0.3 . 1 . . . . 22 ILE CB . 15690 1 215 . 2 1 22 22 ILE CD1 C 13 13.6 0.3 . 1 . . . . 22 ILE CD1 . 15690 1 216 . 2 1 22 22 ILE CG1 C 13 29.5 0.3 . 1 . . . . 22 ILE CG1 . 15690 1 217 . 2 1 22 22 ILE CG2 C 13 17.2 0.3 . 1 . . . . 22 ILE CG2 . 15690 1 218 . 2 1 22 22 ILE N N 15 121.1 0.3 . 1 . . . . 22 ILE N . 15690 1 219 . 2 1 23 23 GLU H H 1 8.33 0.02 . 1 . . . . 23 GLU H . 15690 1 220 . 2 1 23 23 GLU HA H 1 3.58 0.02 . 1 . . . . 23 GLU HA . 15690 1 221 . 2 1 23 23 GLU HB2 H 1 1.82 0.02 . 2 . . . . 23 GLU HB2 . 15690 1 222 . 2 1 23 23 GLU HB3 H 1 2.13 0.02 . 2 . . . . 23 GLU HB3 . 15690 1 223 . 2 1 23 23 GLU HG2 H 1 1.85 0.02 . 2 . . . . 23 GLU HG2 . 15690 1 224 . 2 1 23 23 GLU HG3 H 1 1.73 0.02 . 2 . . . . 23 GLU HG3 . 15690 1 225 . 2 1 23 23 GLU C C 13 180.7 0.3 . 1 . . . . 23 GLU C . 15690 1 226 . 2 1 23 23 GLU CA C 13 60.5 0.3 . 1 . . . . 23 GLU CA . 15690 1 227 . 2 1 23 23 GLU CB C 13 29.4 0.3 . 1 . . . . 23 GLU CB . 15690 1 228 . 2 1 23 23 GLU CG C 13 38.2 0.3 . 1 . . . . 23 GLU CG . 15690 1 229 . 2 1 23 23 GLU N N 15 117.8 0.3 . 1 . . . . 23 GLU N . 15690 1 230 . 2 1 24 24 GLN H H 1 8.52 0.02 . 1 . . . . 24 GLN H . 15690 1 231 . 2 1 24 24 GLN HA H 1 3.74 0.02 . 1 . . . . 24 GLN HA . 15690 1 232 . 2 1 24 24 GLN HB2 H 1 2.21 0.02 . 2 . . . . 24 GLN HB2 . 15690 1 233 . 2 1 24 24 GLN HB3 H 1 1.81 0.02 . 2 . . . . 24 GLN HB3 . 15690 1 234 . 2 1 24 24 GLN HE21 H 1 7.01 0.02 . 1 . . . . 24 GLN HE21 . 15690 1 235 . 2 1 24 24 GLN HE22 H 1 6.74 0.02 . 1 . . . . 24 GLN HE22 . 15690 1 236 . 2 1 24 24 GLN HG2 H 1 1.81 0.02 . 2 . . . . 24 GLN HG2 . 15690 1 237 . 2 1 24 24 GLN HG3 H 1 1.56 0.02 . 2 . . . . 24 GLN HG3 . 15690 1 238 . 2 1 24 24 GLN C C 13 178.5 0.3 . 1 . . . . 24 GLN C . 15690 1 239 . 2 1 24 24 GLN CA C 13 58.2 0.3 . 1 . . . . 24 GLN CA . 15690 1 240 . 2 1 24 24 GLN CB C 13 28.8 0.3 . 1 . . . . 24 GLN CB . 15690 1 241 . 2 1 24 24 GLN CG C 13 33.5 0.3 . 1 . . . . 24 GLN CG . 15690 1 242 . 2 1 24 24 GLN N N 15 117.4 0.3 . 1 . . . . 24 GLN N . 15690 1 243 . 2 1 24 24 GLN NE2 N 15 112.4 0.3 . 1 . . . . 24 GLN NE2 . 15690 1 244 . 2 1 25 25 GLN H H 1 8.07 0.02 . 1 . . . . 25 GLN H . 15690 1 245 . 2 1 25 25 GLN HA H 1 4.12 0.02 . 1 . . . . 25 GLN HA . 15690 1 246 . 2 1 25 25 GLN HB2 H 1 2.22 0.02 . 2 . . . . 25 GLN HB2 . 15690 1 247 . 2 1 25 25 GLN HB3 H 1 2.04 0.02 . 2 . . . . 25 GLN HB3 . 15690 1 248 . 2 1 25 25 GLN HE21 H 1 7.54 0.02 . 1 . . . . 25 GLN HE21 . 15690 1 249 . 2 1 25 25 GLN HE22 H 1 6.90 0.02 . 1 . . . . 25 GLN HE22 . 15690 1 250 . 2 1 25 25 GLN HG2 H 1 2.55 0.02 . 2 . . . . 25 GLN HG2 . 15690 1 251 . 2 1 25 25 GLN HG3 H 1 2.30 0.02 . 2 . . . . 25 GLN HG3 . 15690 1 252 . 2 1 25 25 GLN C C 13 177.8 0.3 . 1 . . . . 25 GLN C . 15690 1 253 . 2 1 25 25 GLN CA C 13 58.7 0.3 . 1 . . . . 25 GLN CA . 15690 1 254 . 2 1 25 25 GLN CB C 13 28.8 0.3 . 1 . . . . 25 GLN CB . 15690 1 255 . 2 1 25 25 GLN CG C 13 33.0 0.3 . 1 . . . . 25 GLN CG . 15690 1 256 . 2 1 25 25 GLN N N 15 117.5 0.3 . 1 . . . . 25 GLN N . 15690 1 257 . 2 1 25 25 GLN NE2 N 15 111.9 0.3 . 1 . . . . 25 GLN NE2 . 15690 1 258 . 2 1 26 26 ILE H H 1 8.67 0.02 . 1 . . . . 26 ILE H . 15690 1 259 . 2 1 26 26 ILE HA H 1 4.00 0.02 . 1 . . . . 26 ILE HA . 15690 1 260 . 2 1 26 26 ILE HB H 1 2.10 0.02 . 1 . . . . 26 ILE HB . 15690 1 261 . 2 1 26 26 ILE HD11 H 1 0.51 0.02 . 1 . . . . 26 ILE HD1 . 15690 1 262 . 2 1 26 26 ILE HD12 H 1 0.51 0.02 . 1 . . . . 26 ILE HD1 . 15690 1 263 . 2 1 26 26 ILE HD13 H 1 0.51 0.02 . 1 . . . . 26 ILE HD1 . 15690 1 264 . 2 1 26 26 ILE HG12 H 1 1.89 0.02 . 2 . . . . 26 ILE HG12 . 15690 1 265 . 2 1 26 26 ILE HG13 H 1 0.91 0.02 . 2 . . . . 26 ILE HG13 . 15690 1 266 . 2 1 26 26 ILE HG21 H 1 0.73 0.02 . 1 . . . . 26 ILE HG2 . 15690 1 267 . 2 1 26 26 ILE HG22 H 1 0.73 0.02 . 1 . . . . 26 ILE HG2 . 15690 1 268 . 2 1 26 26 ILE HG23 H 1 0.73 0.02 . 1 . . . . 26 ILE HG2 . 15690 1 269 . 2 1 26 26 ILE C C 13 178.5 0.3 . 1 . . . . 26 ILE C . 15690 1 270 . 2 1 26 26 ILE CA C 13 60.2 0.3 . 1 . . . . 26 ILE CA . 15690 1 271 . 2 1 26 26 ILE CB C 13 33.4 0.3 . 1 . . . . 26 ILE CB . 15690 1 272 . 2 1 26 26 ILE CD1 C 13 8.9 0.3 . 1 . . . . 26 ILE CD1 . 15690 1 273 . 2 1 26 26 ILE CG1 C 13 28.3 0.3 . 1 . . . . 26 ILE CG1 . 15690 1 274 . 2 1 26 26 ILE CG2 C 13 18.9 0.3 . 1 . . . . 26 ILE CG2 . 15690 1 275 . 2 1 26 26 ILE N N 15 118.7 0.3 . 1 . . . . 26 ILE N . 15690 1 276 . 2 1 27 27 GLY H H 1 7.47 0.02 . 1 . . . . 27 GLY H . 15690 1 277 . 2 1 27 27 GLY HA2 H 1 3.79 0.02 . 1 . . . . 27 GLY HA2 . 15690 1 278 . 2 1 27 27 GLY C C 13 174.0 0.3 . 1 . . . . 27 GLY C . 15690 1 279 . 2 1 27 27 GLY CA C 13 46.4 0.3 . 1 . . . . 27 GLY CA . 15690 1 280 . 2 1 27 27 GLY N N 15 104.4 0.3 . 1 . . . . 27 GLY N . 15690 1 281 . 2 1 28 28 LYS H H 1 6.77 0.02 . 1 . . . . 28 LYS H . 15690 1 282 . 2 1 28 28 LYS HA H 1 4.37 0.02 . 1 . . . . 28 LYS HA . 15690 1 283 . 2 1 28 28 LYS HB2 H 1 1.96 0.02 . 2 . . . . 28 LYS HB2 . 15690 1 284 . 2 1 28 28 LYS HB3 H 1 1.82 0.02 . 2 . . . . 28 LYS HB3 . 15690 1 285 . 2 1 28 28 LYS HD2 H 1 1.62 0.02 . 2 . . . . 28 LYS HD2 . 15690 1 286 . 2 1 28 28 LYS HD3 H 1 1.70 0.02 . 2 . . . . 28 LYS HD3 . 15690 1 287 . 2 1 28 28 LYS HE2 H 1 2.95 0.02 . 2 . . . . 28 LYS HE2 . 15690 1 288 . 2 1 28 28 LYS HE3 H 1 3.15 0.02 . 2 . . . . 28 LYS HE3 . 15690 1 289 . 2 1 28 28 LYS HG2 H 1 1.58 0.02 . 2 . . . . 28 LYS HG2 . 15690 1 290 . 2 1 28 28 LYS HG3 H 1 1.52 0.02 . 2 . . . . 28 LYS HG3 . 15690 1 291 . 2 1 28 28 LYS C C 13 177.0 0.3 . 1 . . . . 28 LYS C . 15690 1 292 . 2 1 28 28 LYS CA C 13 55.8 0.3 . 1 . . . . 28 LYS CA . 15690 1 293 . 2 1 28 28 LYS CB C 13 32.9 0.3 . 1 . . . . 28 LYS CB . 15690 1 294 . 2 1 28 28 LYS CD C 13 29.4 0.3 . 1 . . . . 28 LYS CD . 15690 1 295 . 2 1 28 28 LYS CE C 13 42.3 0.3 . 1 . . . . 28 LYS CE . 15690 1 296 . 2 1 28 28 LYS CG C 13 24.7 0.3 . 1 . . . . 28 LYS CG . 15690 1 297 . 2 1 28 28 LYS N N 15 115.1 0.3 . 1 . . . . 28 LYS N . 15690 1 298 . 2 1 29 29 VAL H H 1 7.52 0.02 . 1 . . . . 29 VAL H . 15690 1 299 . 2 1 29 29 VAL HA H 1 3.98 0.02 . 1 . . . . 29 VAL HA . 15690 1 300 . 2 1 29 29 VAL HB H 1 2.29 0.02 . 1 . . . . 29 VAL HB . 15690 1 301 . 2 1 29 29 VAL HG11 H 1 0.75 0.02 . 1 . . . . 29 VAL HG1 . 15690 1 302 . 2 1 29 29 VAL HG12 H 1 0.75 0.02 . 1 . . . . 29 VAL HG1 . 15690 1 303 . 2 1 29 29 VAL HG13 H 1 0.75 0.02 . 1 . . . . 29 VAL HG1 . 15690 1 304 . 2 1 29 29 VAL HG21 H 1 0.65 0.02 . 1 . . . . 29 VAL HG2 . 15690 1 305 . 2 1 29 29 VAL HG22 H 1 0.65 0.02 . 1 . . . . 29 VAL HG2 . 15690 1 306 . 2 1 29 29 VAL HG23 H 1 0.65 0.02 . 1 . . . . 29 VAL HG2 . 15690 1 307 . 2 1 29 29 VAL C C 13 176.5 0.3 . 1 . . . . 29 VAL C . 15690 1 308 . 2 1 29 29 VAL CA C 13 63.6 0.3 . 1 . . . . 29 VAL CA . 15690 1 309 . 2 1 29 29 VAL CB C 13 31.1 0.3 . 1 . . . . 29 VAL CB . 15690 1 310 . 2 1 29 29 VAL CG1 C 13 21.2 0.3 . 1 . . . . 29 VAL CG1 . 15690 1 311 . 2 1 29 29 VAL CG2 C 13 23.1 0.3 . 1 . . . . 29 VAL CG2 . 15690 1 312 . 2 1 29 29 VAL N N 15 124.3 0.3 . 1 . . . . 29 VAL N . 15690 1 313 . 2 1 30 30 ASN H H 1 8.73 0.02 . 1 . . . . 30 ASN H . 15690 1 314 . 2 1 30 30 ASN HA H 1 4.44 0.02 . 1 . . . . 30 ASN HA . 15690 1 315 . 2 1 30 30 ASN HB2 H 1 2.82 0.02 . 2 . . . . 30 ASN HB2 . 15690 1 316 . 2 1 30 30 ASN HB3 H 1 2.76 0.02 . 2 . . . . 30 ASN HB3 . 15690 1 317 . 2 1 30 30 ASN HD21 H 1 7.81 0.02 . 1 . . . . 30 ASN HD21 . 15690 1 318 . 2 1 30 30 ASN HD22 H 1 7.03 0.02 . 1 . . . . 30 ASN HD22 . 15690 1 319 . 2 1 30 30 ASN C C 13 175.1 0.3 . 1 . . . . 30 ASN C . 15690 1 320 . 2 1 30 30 ASN CA C 13 54.9 0.3 . 1 . . . . 30 ASN CA . 15690 1 321 . 2 1 30 30 ASN CB C 13 38.4 0.3 . 1 . . . . 30 ASN CB . 15690 1 322 . 2 1 30 30 ASN N N 15 127.3 0.3 . 1 . . . . 30 ASN N . 15690 1 323 . 2 1 30 30 ASN ND2 N 15 112.7 0.3 . 1 . . . . 30 ASN ND2 . 15690 1 324 . 2 1 31 31 GLY H H 1 8.86 0.02 . 1 . . . . 31 GLY H . 15690 1 325 . 2 1 31 31 GLY HA2 H 1 4.39 0.02 . 2 . . . . 31 GLY HA2 . 15690 1 326 . 2 1 31 31 GLY HA3 H 1 3.68 0.02 . 2 . . . . 31 GLY HA3 . 15690 1 327 . 2 1 31 31 GLY C C 13 173.7 0.3 . 1 . . . . 31 GLY C . 15690 1 328 . 2 1 31 31 GLY CA C 13 45.9 0.3 . 1 . . . . 31 GLY CA . 15690 1 329 . 2 1 31 31 GLY N N 15 112.7 0.3 . 1 . . . . 31 GLY N . 15690 1 330 . 2 1 32 32 VAL H H 1 7.89 0.02 . 1 . . . . 32 VAL H . 15690 1 331 . 2 1 32 32 VAL HA H 1 3.65 0.02 . 1 . . . . 32 VAL HA . 15690 1 332 . 2 1 32 32 VAL HB H 1 2.23 0.02 . 1 . . . . 32 VAL HB . 15690 1 333 . 2 1 32 32 VAL HG11 H 1 0.79 0.02 . 1 . . . . 32 VAL HG1 . 15690 1 334 . 2 1 32 32 VAL HG12 H 1 0.79 0.02 . 1 . . . . 32 VAL HG1 . 15690 1 335 . 2 1 32 32 VAL HG13 H 1 0.79 0.02 . 1 . . . . 32 VAL HG1 . 15690 1 336 . 2 1 32 32 VAL HG21 H 1 1.02 0.02 . 1 . . . . 32 VAL HG2 . 15690 1 337 . 2 1 32 32 VAL HG22 H 1 1.02 0.02 . 1 . . . . 32 VAL HG2 . 15690 1 338 . 2 1 32 32 VAL HG23 H 1 1.02 0.02 . 1 . . . . 32 VAL HG2 . 15690 1 339 . 2 1 32 32 VAL C C 13 175.8 0.3 . 1 . . . . 32 VAL C . 15690 1 340 . 2 1 32 32 VAL CA C 13 63.5 0.3 . 1 . . . . 32 VAL CA . 15690 1 341 . 2 1 32 32 VAL CB C 13 31.1 0.3 . 1 . . . . 32 VAL CB . 15690 1 342 . 2 1 32 32 VAL CG1 C 13 21.8 0.3 . 1 . . . . 32 VAL CG1 . 15690 1 343 . 2 1 32 32 VAL CG2 C 13 23.4 0.3 . 1 . . . . 32 VAL CG2 . 15690 1 344 . 2 1 32 32 VAL N N 15 120.2 0.3 . 1 . . . . 32 VAL N . 15690 1 345 . 2 1 33 33 HIS H H 1 9.20 0.02 . 1 . . . . 33 HIS H . 15690 1 346 . 2 1 33 33 HIS HA H 1 4.69 0.02 . 1 . . . . 33 HIS HA . 15690 1 347 . 2 1 33 33 HIS HB2 H 1 2.62 0.02 . 1 . . . . 33 HIS HB2 . 15690 1 348 . 2 1 33 33 HIS HD2 H 1 6.51 0.02 . 1 . . . . 33 HIS HD2 . 15690 1 349 . 2 1 33 33 HIS C C 13 175.8 0.3 . 1 . . . . 33 HIS C . 15690 1 350 . 2 1 33 33 HIS CA C 13 56.9 0.3 . 1 . . . . 33 HIS CA . 15690 1 351 . 2 1 33 33 HIS CB C 13 32.4 0.3 . 1 . . . . 33 HIS CB . 15690 1 352 . 2 1 33 33 HIS CD2 C 13 114.9 0.3 . 1 . . . . 33 HIS CD2 . 15690 1 353 . 2 1 33 33 HIS N N 15 128.4 0.3 . 1 . . . . 33 HIS N . 15690 1 354 . 2 1 34 34 HIS H H 1 7.90 0.02 . 1 . . . . 34 HIS H . 15690 1 355 . 2 1 34 34 HIS HA H 1 4.74 0.02 . 1 . . . . 34 HIS HA . 15690 1 356 . 2 1 34 34 HIS HB2 H 1 3.20 0.02 . 2 . . . . 34 HIS HB2 . 15690 1 357 . 2 1 34 34 HIS HB3 H 1 2.73 0.02 . 2 . . . . 34 HIS HB3 . 15690 1 358 . 2 1 34 34 HIS HD2 H 1 6.91 0.02 . 1 . . . . 34 HIS HD2 . 15690 1 359 . 2 1 34 34 HIS C C 13 172.4 0.3 . 1 . . . . 34 HIS C . 15690 1 360 . 2 1 34 34 HIS CA C 13 56.7 0.3 . 1 . . . . 34 HIS CA . 15690 1 361 . 2 1 34 34 HIS CB C 13 34.1 0.3 . 1 . . . . 34 HIS CB . 15690 1 362 . 2 1 34 34 HIS CD2 C 13 118.7 0.3 . 1 . . . . 34 HIS CD2 . 15690 1 363 . 2 1 34 34 HIS N N 15 116.8 0.3 . 1 . . . . 34 HIS N . 15690 1 364 . 2 1 35 35 ILE H H 1 7.74 0.02 . 1 . . . . 35 ILE H . 15690 1 365 . 2 1 35 35 ILE HA H 1 5.11 0.02 . 1 . . . . 35 ILE HA . 15690 1 366 . 2 1 35 35 ILE HB H 1 1.56 0.02 . 1 . . . . 35 ILE HB . 15690 1 367 . 2 1 35 35 ILE HD11 H 1 0.83 0.02 . 1 . . . . 35 ILE HD1 . 15690 1 368 . 2 1 35 35 ILE HD12 H 1 0.83 0.02 . 1 . . . . 35 ILE HD1 . 15690 1 369 . 2 1 35 35 ILE HD13 H 1 0.83 0.02 . 1 . . . . 35 ILE HD1 . 15690 1 370 . 2 1 35 35 ILE HG12 H 1 0.70 0.02 . 2 . . . . 35 ILE HG12 . 15690 1 371 . 2 1 35 35 ILE HG13 H 1 1.34 0.02 . 2 . . . . 35 ILE HG13 . 15690 1 372 . 2 1 35 35 ILE HG21 H 1 0.61 0.02 . 1 . . . . 35 ILE HG2 . 15690 1 373 . 2 1 35 35 ILE HG22 H 1 0.61 0.02 . 1 . . . . 35 ILE HG2 . 15690 1 374 . 2 1 35 35 ILE HG23 H 1 0.61 0.02 . 1 . . . . 35 ILE HG2 . 15690 1 375 . 2 1 35 35 ILE C C 13 171.6 0.3 . 1 . . . . 35 ILE C . 15690 1 376 . 2 1 35 35 ILE CA C 13 58.5 0.3 . 1 . . . . 35 ILE CA . 15690 1 377 . 2 1 35 35 ILE CB C 13 40.1 0.3 . 1 . . . . 35 ILE CB . 15690 1 378 . 2 1 35 35 ILE CD1 C 13 14.2 0.3 . 1 . . . . 35 ILE CD1 . 15690 1 379 . 2 1 35 35 ILE CG1 C 13 29.3 0.3 . 1 . . . . 35 ILE CG1 . 15690 1 380 . 2 1 35 35 ILE CG2 C 13 14.9 0.3 . 1 . . . . 35 ILE CG2 . 15690 1 381 . 2 1 35 35 ILE N N 15 121.9 0.3 . 1 . . . . 35 ILE N . 15690 1 382 . 2 1 36 36 LYS H H 1 8.29 0.02 . 1 . . . . 36 LYS H . 15690 1 383 . 2 1 36 36 LYS HA H 1 4.94 0.02 . 1 . . . . 36 LYS HA . 15690 1 384 . 2 1 36 36 LYS HB2 H 1 1.64 0.02 . 2 . . . . 36 LYS HB2 . 15690 1 385 . 2 1 36 36 LYS HB3 H 1 1.81 0.02 . 2 . . . . 36 LYS HB3 . 15690 1 386 . 2 1 36 36 LYS HD2 H 1 1.72 0.02 . 2 . . . . 36 LYS HD2 . 15690 1 387 . 2 1 36 36 LYS HD3 H 1 1.84 0.02 . 2 . . . . 36 LYS HD3 . 15690 1 388 . 2 1 36 36 LYS HE2 H 1 3.05 0.02 . 2 . . . . 36 LYS HE2 . 15690 1 389 . 2 1 36 36 LYS HE3 H 1 2.98 0.02 . 2 . . . . 36 LYS HE3 . 15690 1 390 . 2 1 36 36 LYS HG2 H 1 1.33 0.02 . 1 . . . . 36 LYS HG2 . 15690 1 391 . 2 1 36 36 LYS C C 13 175.5 0.3 . 1 . . . . 36 LYS C . 15690 1 392 . 2 1 36 36 LYS CA C 13 54.1 0.3 . 1 . . . . 36 LYS CA . 15690 1 393 . 2 1 36 36 LYS CB C 13 35.1 0.3 . 1 . . . . 36 LYS CB . 15690 1 394 . 2 1 36 36 LYS CD C 13 28.9 0.3 . 1 . . . . 36 LYS CD . 15690 1 395 . 2 1 36 36 LYS CE C 13 42.3 0.3 . 1 . . . . 36 LYS CE . 15690 1 396 . 2 1 36 36 LYS CG C 13 24.6 0.3 . 1 . . . . 36 LYS CG . 15690 1 397 . 2 1 36 36 LYS N N 15 125.8 0.3 . 1 . . . . 36 LYS N . 15690 1 398 . 2 1 37 37 VAL H H 1 10.17 0.02 . 1 . . . . 37 VAL H . 15690 1 399 . 2 1 37 37 VAL HA H 1 4.66 0.02 . 1 . . . . 37 VAL HA . 15690 1 400 . 2 1 37 37 VAL HB H 1 2.09 0.02 . 1 . . . . 37 VAL HB . 15690 1 401 . 2 1 37 37 VAL HG11 H 1 0.82 0.02 . 1 . . . . 37 VAL HG1 . 15690 1 402 . 2 1 37 37 VAL HG12 H 1 0.82 0.02 . 1 . . . . 37 VAL HG1 . 15690 1 403 . 2 1 37 37 VAL HG13 H 1 0.82 0.02 . 1 . . . . 37 VAL HG1 . 15690 1 404 . 2 1 37 37 VAL HG21 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 15690 1 405 . 2 1 37 37 VAL HG22 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 15690 1 406 . 2 1 37 37 VAL HG23 H 1 0.88 0.02 . 1 . . . . 37 VAL HG2 . 15690 1 407 . 2 1 37 37 VAL C C 13 174.1 0.3 . 1 . . . . 37 VAL C . 15690 1 408 . 2 1 37 37 VAL CA C 13 61.2 0.3 . 1 . . . . 37 VAL CA . 15690 1 409 . 2 1 37 37 VAL CB C 13 32.4 0.3 . 1 . . . . 37 VAL CB . 15690 1 410 . 2 1 37 37 VAL CG1 C 13 21.3 0.3 . 1 . . . . 37 VAL CG1 . 15690 1 411 . 2 1 37 37 VAL CG2 C 13 23.0 0.3 . 1 . . . . 37 VAL CG2 . 15690 1 412 . 2 1 37 37 VAL N N 15 132.4 0.3 . 1 . . . . 37 VAL N . 15690 1 413 . 2 1 38 38 SER H H 1 8.78 0.02 . 1 . . . . 38 SER H . 15690 1 414 . 2 1 38 38 SER HB2 H 1 3.91 0.02 . 2 . . . . 38 SER HB2 . 15690 1 415 . 2 1 38 38 SER HB3 H 1 3.72 0.02 . 2 . . . . 38 SER HB3 . 15690 1 416 . 2 1 38 38 SER C C 13 175.3 0.3 . 1 . . . . 38 SER C . 15690 1 417 . 2 1 38 38 SER CA C 13 55.1 0.3 . 1 . . . . 38 SER CA . 15690 1 418 . 2 1 38 38 SER CB C 13 64.0 0.3 . 1 . . . . 38 SER CB . 15690 1 419 . 2 1 38 38 SER N N 15 120.4 0.3 . 1 . . . . 38 SER N . 15690 1 420 . 2 1 39 39 LEU H H 1 9.07 0.02 . 1 . . . . 39 LEU H . 15690 1 421 . 2 1 39 39 LEU HA H 1 4.01 0.02 . 1 . . . . 39 LEU HA . 15690 1 422 . 2 1 39 39 LEU HB2 H 1 1.71 0.02 . 2 . . . . 39 LEU HB2 . 15690 1 423 . 2 1 39 39 LEU HB3 H 1 1.48 0.02 . 2 . . . . 39 LEU HB3 . 15690 1 424 . 2 1 39 39 LEU HD11 H 1 0.65 0.02 . 1 . . . . 39 LEU HD1 . 15690 1 425 . 2 1 39 39 LEU HD12 H 1 0.65 0.02 . 1 . . . . 39 LEU HD1 . 15690 1 426 . 2 1 39 39 LEU HD13 H 1 0.65 0.02 . 1 . . . . 39 LEU HD1 . 15690 1 427 . 2 1 39 39 LEU HD21 H 1 0.73 0.02 . 1 . . . . 39 LEU HD2 . 15690 1 428 . 2 1 39 39 LEU HD22 H 1 0.73 0.02 . 1 . . . . 39 LEU HD2 . 15690 1 429 . 2 1 39 39 LEU HD23 H 1 0.73 0.02 . 1 . . . . 39 LEU HD2 . 15690 1 430 . 2 1 39 39 LEU HG H 1 1.46 0.02 . 1 . . . . 39 LEU HG . 15690 1 431 . 2 1 39 39 LEU C C 13 179.4 0.3 . 1 . . . . 39 LEU C . 15690 1 432 . 2 1 39 39 LEU CA C 13 57.6 0.3 . 1 . . . . 39 LEU CA . 15690 1 433 . 2 1 39 39 LEU CB C 13 41.8 0.3 . 1 . . . . 39 LEU CB . 15690 1 434 . 2 1 39 39 LEU CD1 C 13 23.6 0.3 . 1 . . . . 39 LEU CD1 . 15690 1 435 . 2 1 39 39 LEU CD2 C 13 25.3 0.3 . 1 . . . . 39 LEU CD2 . 15690 1 436 . 2 1 39 39 LEU CG C 13 26.6 0.3 . 1 . . . . 39 LEU CG . 15690 1 437 . 2 1 39 39 LEU N N 15 130.8 0.3 . 1 . . . . 39 LEU N . 15690 1 438 . 2 1 40 40 GLU H H 1 8.78 0.02 . 1 . . . . 40 GLU H . 15690 1 439 . 2 1 40 40 GLU HA H 1 3.93 0.02 . 1 . . . . 40 GLU HA . 15690 1 440 . 2 1 40 40 GLU HB2 H 1 1.99 0.02 . 2 . . . . 40 GLU HB2 . 15690 1 441 . 2 1 40 40 GLU HB3 H 1 1.93 0.02 . 2 . . . . 40 GLU HB3 . 15690 1 442 . 2 1 40 40 GLU HG2 H 1 2.38 0.02 . 2 . . . . 40 GLU HG2 . 15690 1 443 . 2 1 40 40 GLU HG3 H 1 2.26 0.02 . 2 . . . . 40 GLU HG3 . 15690 1 444 . 2 1 40 40 GLU C C 13 178.6 0.3 . 1 . . . . 40 GLU C . 15690 1 445 . 2 1 40 40 GLU CA C 13 60.0 0.3 . 1 . . . . 40 GLU CA . 15690 1 446 . 2 1 40 40 GLU CB C 13 29.4 0.3 . 1 . . . . 40 GLU CB . 15690 1 447 . 2 1 40 40 GLU CG C 13 37.0 0.3 . 1 . . . . 40 GLU CG . 15690 1 448 . 2 1 40 40 GLU N N 15 118.4 0.3 . 1 . . . . 40 GLU N . 15690 1 449 . 2 1 41 41 GLU H H 1 7.85 0.02 . 1 . . . . 41 GLU H . 15690 1 450 . 2 1 41 41 GLU HA H 1 4.20 0.02 . 1 . . . . 41 GLU HA . 15690 1 451 . 2 1 41 41 GLU HB2 H 1 2.18 0.02 . 1 . . . . 41 GLU HB2 . 15690 1 452 . 2 1 41 41 GLU HG2 H 1 2.17 0.02 . 2 . . . . 41 GLU HG2 . 15690 1 453 . 2 1 41 41 GLU HG3 H 1 2.11 0.02 . 2 . . . . 41 GLU HG3 . 15690 1 454 . 2 1 41 41 GLU C C 13 174.6 0.3 . 1 . . . . 41 GLU C . 15690 1 455 . 2 1 41 41 GLU CA C 13 55.8 0.3 . 1 . . . . 41 GLU CA . 15690 1 456 . 2 1 41 41 GLU CB C 13 28.8 0.3 . 1 . . . . 41 GLU CB . 15690 1 457 . 2 1 41 41 GLU CG C 13 37.0 0.3 . 1 . . . . 41 GLU CG . 15690 1 458 . 2 1 41 41 GLU N N 15 114.7 0.3 . 1 . . . . 41 GLU N . 15690 1 459 . 2 1 42 42 LYS H H 1 7.53 0.02 . 1 . . . . 42 LYS H . 15690 1 460 . 2 1 42 42 LYS HA H 1 3.65 0.02 . 1 . . . . 42 LYS HA . 15690 1 461 . 2 1 42 42 LYS HB2 H 1 2.06 0.02 . 1 . . . . 42 LYS HB2 . 15690 1 462 . 2 1 42 42 LYS HE2 H 1 2.97 0.02 . 2 . . . . 42 LYS HE2 . 15690 1 463 . 2 1 42 42 LYS HE3 H 1 3.05 0.02 . 2 . . . . 42 LYS HE3 . 15690 1 464 . 2 1 42 42 LYS C C 13 175.3 0.3 . 1 . . . . 42 LYS C . 15690 1 465 . 2 1 42 42 LYS CA C 13 56.9 0.3 . 1 . . . . 42 LYS CA . 15690 1 466 . 2 1 42 42 LYS CB C 13 28.8 0.3 . 1 . . . . 42 LYS CB . 15690 1 467 . 2 1 42 42 LYS CE C 13 42.3 0.3 . 1 . . . . 42 LYS CE . 15690 1 468 . 2 1 42 42 LYS CG C 13 24.7 0.3 . 1 . . . . 42 LYS CG . 15690 1 469 . 2 1 42 42 LYS N N 15 117.2 0.3 . 1 . . . . 42 LYS N . 15690 1 470 . 2 1 43 43 ASN H H 1 8.03 0.02 . 1 . . . . 43 ASN H . 15690 1 471 . 2 1 43 43 ASN HA H 1 5.34 0.02 . 1 . . . . 43 ASN HA . 15690 1 472 . 2 1 43 43 ASN HB2 H 1 2.55 0.02 . 2 . . . . 43 ASN HB2 . 15690 1 473 . 2 1 43 43 ASN HB3 H 1 2.79 0.02 . 2 . . . . 43 ASN HB3 . 15690 1 474 . 2 1 43 43 ASN HD21 H 1 7.08 0.02 . 1 . . . . 43 ASN HD21 . 15690 1 475 . 2 1 43 43 ASN HD22 H 1 6.61 0.02 . 1 . . . . 43 ASN HD22 . 15690 1 476 . 2 1 43 43 ASN C C 13 172.7 0.3 . 1 . . . . 43 ASN C . 15690 1 477 . 2 1 43 43 ASN CA C 13 51.3 0.3 . 1 . . . . 43 ASN CA . 15690 1 478 . 2 1 43 43 ASN CB C 13 40.6 0.3 . 1 . . . . 43 ASN CB . 15690 1 479 . 2 1 43 43 ASN N N 15 113.7 0.3 . 1 . . . . 43 ASN N . 15690 1 480 . 2 1 43 43 ASN ND2 N 15 109.5 0.3 . 1 . . . . 43 ASN ND2 . 15690 1 481 . 2 1 44 44 ALA H H 1 9.01 0.02 . 1 . . . . 44 ALA H . 15690 1 482 . 2 1 44 44 ALA HA H 1 5.06 0.02 . 1 . . . . 44 ALA HA . 15690 1 483 . 2 1 44 44 ALA HB1 H 1 1.32 0.02 . 1 . . . . 44 ALA HB . 15690 1 484 . 2 1 44 44 ALA HB2 H 1 1.32 0.02 . 1 . . . . 44 ALA HB . 15690 1 485 . 2 1 44 44 ALA HB3 H 1 1.32 0.02 . 1 . . . . 44 ALA HB . 15690 1 486 . 2 1 44 44 ALA C C 13 175.3 0.3 . 1 . . . . 44 ALA C . 15690 1 487 . 2 1 44 44 ALA CA C 13 49.9 0.3 . 1 . . . . 44 ALA CA . 15690 1 488 . 2 1 44 44 ALA CB C 13 22.5 0.3 . 1 . . . . 44 ALA CB . 15690 1 489 . 2 1 44 44 ALA N N 15 118.4 0.3 . 1 . . . . 44 ALA N . 15690 1 490 . 2 1 45 45 THR H H 1 8.78 0.02 . 1 . . . . 45 THR H . 15690 1 491 . 2 1 45 45 THR HA H 1 5.16 0.02 . 1 . . . . 45 THR HA . 15690 1 492 . 2 1 45 45 THR HB H 1 3.95 0.02 . 1 . . . . 45 THR HB . 15690 1 493 . 2 1 45 45 THR HG21 H 1 1.07 0.02 . 1 . . . . 45 THR HG2 . 15690 1 494 . 2 1 45 45 THR HG22 H 1 1.07 0.02 . 1 . . . . 45 THR HG2 . 15690 1 495 . 2 1 45 45 THR HG23 H 1 1.07 0.02 . 1 . . . . 45 THR HG2 . 15690 1 496 . 2 1 45 45 THR C C 13 174.1 0.3 . 1 . . . . 45 THR C . 15690 1 497 . 2 1 45 45 THR CA C 13 62.4 0.3 . 1 . . . . 45 THR CA . 15690 1 498 . 2 1 45 45 THR CB C 13 70.0 0.3 . 1 . . . . 45 THR CB . 15690 1 499 . 2 1 45 45 THR CG2 C 13 21.2 0.3 . 1 . . . . 45 THR CG2 . 15690 1 500 . 2 1 45 45 THR N N 15 120.0 0.3 . 1 . . . . 45 THR N . 15690 1 501 . 2 1 46 46 ILE H H 1 9.33 0.02 . 1 . . . . 46 ILE H . 15690 1 502 . 2 1 46 46 ILE HA H 1 4.87 0.02 . 1 . . . . 46 ILE HA . 15690 1 503 . 2 1 46 46 ILE HB H 1 1.67 0.02 . 1 . . . . 46 ILE HB . 15690 1 504 . 2 1 46 46 ILE HD11 H 1 0.65 0.02 . 1 . . . . 46 ILE HD1 . 15690 1 505 . 2 1 46 46 ILE HD12 H 1 0.65 0.02 . 1 . . . . 46 ILE HD1 . 15690 1 506 . 2 1 46 46 ILE HD13 H 1 0.65 0.02 . 1 . . . . 46 ILE HD1 . 15690 1 507 . 2 1 46 46 ILE HG12 H 1 1.45 0.02 . 2 . . . . 46 ILE HG12 . 15690 1 508 . 2 1 46 46 ILE HG13 H 1 0.65 0.02 . 2 . . . . 46 ILE HG13 . 15690 1 509 . 2 1 46 46 ILE HG21 H 1 0.93 0.02 . 1 . . . . 46 ILE HG2 . 15690 1 510 . 2 1 46 46 ILE HG22 H 1 0.93 0.02 . 1 . . . . 46 ILE HG2 . 15690 1 511 . 2 1 46 46 ILE HG23 H 1 0.93 0.02 . 1 . . . . 46 ILE HG2 . 15690 1 512 . 2 1 46 46 ILE CA C 13 60.4 0.3 . 1 . . . . 46 ILE CA . 15690 1 513 . 2 1 46 46 ILE CB C 13 41.2 0.3 . 1 . . . . 46 ILE CB . 15690 1 514 . 2 1 46 46 ILE CD1 C 13 15.4 0.3 . 1 . . . . 46 ILE CD1 . 15690 1 515 . 2 1 46 46 ILE CG1 C 13 27.6 0.3 . 1 . . . . 46 ILE CG1 . 15690 1 516 . 2 1 46 46 ILE CG2 C 13 20.0 0.3 . 1 . . . . 46 ILE CG2 . 15690 1 517 . 2 1 46 46 ILE N N 15 128.2 0.3 . 1 . . . . 46 ILE N . 15690 1 518 . 2 1 47 47 ILE H H 1 9.10 0.02 . 1 . . . . 47 ILE H . 15690 1 519 . 2 1 47 47 ILE HA H 1 5.21 0.02 . 1 . . . . 47 ILE HA . 15690 1 520 . 2 1 47 47 ILE HB H 1 1.93 0.02 . 1 . . . . 47 ILE HB . 15690 1 521 . 2 1 47 47 ILE HD11 H 1 0.77 0.02 . 1 . . . . 47 ILE HD1 . 15690 1 522 . 2 1 47 47 ILE HD12 H 1 0.77 0.02 . 1 . . . . 47 ILE HD1 . 15690 1 523 . 2 1 47 47 ILE HD13 H 1 0.77 0.02 . 1 . . . . 47 ILE HD1 . 15690 1 524 . 2 1 47 47 ILE HG12 H 1 1.66 0.02 . 2 . . . . 47 ILE HG12 . 15690 1 525 . 2 1 47 47 ILE HG13 H 1 1.24 0.02 . 2 . . . . 47 ILE HG13 . 15690 1 526 . 2 1 47 47 ILE HG21 H 1 0.90 0.02 . 1 . . . . 47 ILE HG2 . 15690 1 527 . 2 1 47 47 ILE HG22 H 1 0.90 0.02 . 1 . . . . 47 ILE HG2 . 15690 1 528 . 2 1 47 47 ILE HG23 H 1 0.90 0.02 . 1 . . . . 47 ILE HG2 . 15690 1 529 . 2 1 47 47 ILE C C 13 176.3 0.3 . 1 . . . . 47 ILE C . 15690 1 530 . 2 1 47 47 ILE CA C 13 60.0 0.3 . 1 . . . . 47 ILE CA . 15690 1 531 . 2 1 47 47 ILE CB C 13 37.4 0.3 . 1 . . . . 47 ILE CB . 15690 1 532 . 2 1 47 47 ILE CD1 C 13 11.9 0.3 . 1 . . . . 47 ILE CD1 . 15690 1 533 . 2 1 47 47 ILE CG1 C 13 27.1 0.3 . 1 . . . . 47 ILE CG1 . 15690 1 534 . 2 1 47 47 ILE CG2 C 13 17.6 0.3 . 1 . . . . 47 ILE CG2 . 15690 1 535 . 2 1 47 47 ILE N N 15 128.2 0.3 . 1 . . . . 47 ILE N . 15690 1 536 . 2 1 48 48 TYR H H 1 9.11 0.02 . 1 . . . . 48 TYR H . 15690 1 537 . 2 1 48 48 TYR HA H 1 5.56 0.02 . 1 . . . . 48 TYR HA . 15690 1 538 . 2 1 48 48 TYR HB2 H 1 2.59 0.02 . 1 . . . . 48 TYR HB2 . 15690 1 539 . 2 1 48 48 TYR HD1 H 1 6.70 0.02 . 1 . . . . 48 TYR HD1 . 15690 1 540 . 2 1 48 48 TYR HE1 H 1 6.51 0.02 . 1 . . . . 48 TYR HE1 . 15690 1 541 . 2 1 48 48 TYR C C 13 171.2 0.3 . 1 . . . . 48 TYR C . 15690 1 542 . 2 1 48 48 TYR CA C 13 54.9 0.3 . 1 . . . . 48 TYR CA . 15690 1 543 . 2 1 48 48 TYR CB C 13 42.4 0.3 . 1 . . . . 48 TYR CB . 15690 1 544 . 2 1 48 48 TYR CD1 C 13 132.4 0.3 . 1 . . . . 48 TYR CD1 . 15690 1 545 . 2 1 48 48 TYR CE1 C 13 116.1 0.3 . 1 . . . . 48 TYR CE1 . 15690 1 546 . 2 1 48 48 TYR N N 15 125.2 0.3 . 1 . . . . 48 TYR N . 15690 1 547 . 2 1 49 49 ASP H H 1 8.82 0.02 . 1 . . . . 49 ASP H . 15690 1 548 . 2 1 49 49 ASP HA H 1 5.05 0.02 . 1 . . . . 49 ASP HA . 15690 1 549 . 2 1 49 49 ASP HB2 H 1 2.53 0.02 . 2 . . . . 49 ASP HB2 . 15690 1 550 . 2 1 49 49 ASP HB3 H 1 2.44 0.02 . 2 . . . . 49 ASP HB3 . 15690 1 551 . 2 1 49 49 ASP CA C 13 56.5 0.3 . 1 . . . . 49 ASP CA . 15690 1 552 . 2 1 49 49 ASP N N 15 120.4 0.3 . 1 . . . . 49 ASP N . 15690 1 553 . 2 1 50 50 PRO HA H 1 5.35 0.02 . 1 . . . . 50 PRO HA . 15690 1 554 . 2 1 50 50 PRO HB2 H 1 2.18 0.02 . 1 . . . . 50 PRO HB2 . 15690 1 555 . 2 1 50 50 PRO HD2 H 1 4.08 0.02 . 2 . . . . 50 PRO HD2 . 15690 1 556 . 2 1 50 50 PRO HD3 H 1 3.68 0.02 . 2 . . . . 50 PRO HD3 . 15690 1 557 . 2 1 50 50 PRO HG2 H 1 1.81 0.02 . 1 . . . . 50 PRO HG2 . 15690 1 558 . 2 1 50 50 PRO C C 13 177.7 0.3 . 1 . . . . 50 PRO C . 15690 1 559 . 2 1 50 50 PRO CA C 13 62.5 0.3 . 1 . . . . 50 PRO CA . 15690 1 560 . 2 1 50 50 PRO CB C 13 32.5 0.3 . 1 . . . . 50 PRO CB . 15690 1 561 . 2 1 50 50 PRO CD C 13 51.2 0.3 . 1 . . . . 50 PRO CD . 15690 1 562 . 2 1 50 50 PRO CG C 13 26.9 0.3 . 1 . . . . 50 PRO CG . 15690 1 563 . 2 1 51 51 LYS H H 1 8.73 0.02 . 1 . . . . 51 LYS H . 15690 1 564 . 2 1 51 51 LYS HA H 1 4.28 0.02 . 1 . . . . 51 LYS HA . 15690 1 565 . 2 1 51 51 LYS HB2 H 1 1.87 0.02 . 2 . . . . 51 LYS HB2 . 15690 1 566 . 2 1 51 51 LYS HB3 H 1 1.84 0.02 . 2 . . . . 51 LYS HB3 . 15690 1 567 . 2 1 51 51 LYS HD2 H 1 1.73 0.02 . 1 . . . . 51 LYS HD2 . 15690 1 568 . 2 1 51 51 LYS HE2 H 1 3.02 0.02 . 1 . . . . 51 LYS HE2 . 15690 1 569 . 2 1 51 51 LYS HG2 H 1 1.53 0.02 . 2 . . . . 51 LYS HG2 . 15690 1 570 . 2 1 51 51 LYS HG3 H 1 1.44 0.02 . 2 . . . . 51 LYS HG3 . 15690 1 571 . 2 1 51 51 LYS C C 13 177.4 0.3 . 1 . . . . 51 LYS C . 15690 1 572 . 2 1 51 51 LYS CA C 13 57.6 0.3 . 1 . . . . 51 LYS CA . 15690 1 573 . 2 1 51 51 LYS CB C 13 31.8 0.3 . 1 . . . . 51 LYS CB . 15690 1 574 . 2 1 51 51 LYS CD C 13 28.9 0.3 . 1 . . . . 51 LYS CD . 15690 1 575 . 2 1 51 51 LYS CE C 13 41.8 0.3 . 1 . . . . 51 LYS CE . 15690 1 576 . 2 1 51 51 LYS CG C 13 25.4 0.3 . 1 . . . . 51 LYS CG . 15690 1 577 . 2 1 51 51 LYS N N 15 119.0 0.3 . 1 . . . . 51 LYS N . 15690 1 578 . 2 1 52 52 LEU H H 1 7.94 0.02 . 1 . . . . 52 LEU H . 15690 1 579 . 2 1 52 52 LEU HA H 1 4.57 0.02 . 1 . . . . 52 LEU HA . 15690 1 580 . 2 1 52 52 LEU HB2 H 1 1.82 0.02 . 2 . . . . 52 LEU HB2 . 15690 1 581 . 2 1 52 52 LEU HB3 H 1 1.58 0.02 . 2 . . . . 52 LEU HB3 . 15690 1 582 . 2 1 52 52 LEU HD11 H 1 0.85 0.02 . 1 . . . . 52 LEU HD1 . 15690 1 583 . 2 1 52 52 LEU HD12 H 1 0.85 0.02 . 1 . . . . 52 LEU HD1 . 15690 1 584 . 2 1 52 52 LEU HD13 H 1 0.85 0.02 . 1 . . . . 52 LEU HD1 . 15690 1 585 . 2 1 52 52 LEU HD21 H 1 0.88 0.02 . 1 . . . . 52 LEU HD2 . 15690 1 586 . 2 1 52 52 LEU HD22 H 1 0.88 0.02 . 1 . . . . 52 LEU HD2 . 15690 1 587 . 2 1 52 52 LEU HD23 H 1 0.88 0.02 . 1 . . . . 52 LEU HD2 . 15690 1 588 . 2 1 52 52 LEU HG H 1 1.47 0.02 . 1 . . . . 52 LEU HG . 15690 1 589 . 2 1 52 52 LEU C C 13 176.4 0.3 . 1 . . . . 52 LEU C . 15690 1 590 . 2 1 52 52 LEU CA C 13 55.2 0.3 . 1 . . . . 52 LEU CA . 15690 1 591 . 2 1 52 52 LEU CB C 13 46.5 0.3 . 1 . . . . 52 LEU CB . 15690 1 592 . 2 1 52 52 LEU CD1 C 13 23.0 0.3 . 1 . . . . 52 LEU CD1 . 15690 1 593 . 2 1 52 52 LEU CD2 C 13 25.3 0.3 . 1 . . . . 52 LEU CD2 . 15690 1 594 . 2 1 52 52 LEU CG C 13 27.1 0.3 . 1 . . . . 52 LEU CG . 15690 1 595 . 2 1 52 52 LEU N N 15 118.3 0.3 . 1 . . . . 52 LEU N . 15690 1 596 . 2 1 53 53 GLN H H 1 8.13 0.02 . 1 . . . . 53 GLN H . 15690 1 597 . 2 1 53 53 GLN HA H 1 4.57 0.02 . 1 . . . . 53 GLN HA . 15690 1 598 . 2 1 53 53 GLN HB2 H 1 2.51 0.02 . 2 . . . . 53 GLN HB2 . 15690 1 599 . 2 1 53 53 GLN HB3 H 1 1.27 0.02 . 2 . . . . 53 GLN HB3 . 15690 1 600 . 2 1 53 53 GLN HE21 H 1 7.99 0.02 . 1 . . . . 53 GLN HE21 . 15690 1 601 . 2 1 53 53 GLN HE22 H 1 6.83 0.02 . 1 . . . . 53 GLN HE22 . 15690 1 602 . 2 1 53 53 GLN HG2 H 1 1.86 0.02 . 1 . . . . 53 GLN HG2 . 15690 1 603 . 2 1 53 53 GLN C C 13 172.7 0.3 . 1 . . . . 53 GLN C . 15690 1 604 . 2 1 53 53 GLN CA C 13 52.9 0.3 . 1 . . . . 53 GLN CA . 15690 1 605 . 2 1 53 53 GLN CB C 13 32.3 0.3 . 1 . . . . 53 GLN CB . 15690 1 606 . 2 1 53 53 GLN CG C 13 33.4 0.3 . 1 . . . . 53 GLN CG . 15690 1 607 . 2 1 53 53 GLN N N 15 116.6 0.3 . 1 . . . . 53 GLN N . 15690 1 608 . 2 1 53 53 GLN NE2 N 15 113.3 0.3 . 1 . . . . 53 GLN NE2 . 15690 1 609 . 2 1 54 54 THR H H 1 8.45 0.02 . 1 . . . . 54 THR H . 15690 1 610 . 2 1 54 54 THR HA H 1 4.89 0.02 . 1 . . . . 54 THR HA . 15690 1 611 . 2 1 54 54 THR HB H 1 4.66 0.02 . 1 . . . . 54 THR HB . 15690 1 612 . 2 1 54 54 THR HG21 H 1 1.24 0.02 . 1 . . . . 54 THR HG2 . 15690 1 613 . 2 1 54 54 THR HG22 H 1 1.24 0.02 . 1 . . . . 54 THR HG2 . 15690 1 614 . 2 1 54 54 THR HG23 H 1 1.24 0.02 . 1 . . . . 54 THR HG2 . 15690 1 615 . 2 1 54 54 THR CA C 13 57.4 0.3 . 1 . . . . 54 THR CA . 15690 1 616 . 2 1 54 54 THR CB C 13 70.1 0.3 . 1 . . . . 54 THR CB . 15690 1 617 . 2 1 54 54 THR CG2 C 13 21.2 0.3 . 1 . . . . 54 THR CG2 . 15690 1 618 . 2 1 54 54 THR N N 15 109.0 0.3 . 1 . . . . 54 THR N . 15690 1 619 . 2 1 55 55 PRO HA H 1 3.72 0.02 . 1 . . . . 55 PRO HA . 15690 1 620 . 2 1 55 55 PRO HB2 H 1 2.03 0.02 . 2 . . . . 55 PRO HB2 . 15690 1 621 . 2 1 55 55 PRO HB3 H 1 2.20 0.02 . 2 . . . . 55 PRO HB3 . 15690 1 622 . 2 1 55 55 PRO HD2 H 1 3.91 0.02 . 2 . . . . 55 PRO HD2 . 15690 1 623 . 2 1 55 55 PRO HD3 H 1 3.85 0.02 . 2 . . . . 55 PRO HD3 . 15690 1 624 . 2 1 55 55 PRO HG2 H 1 2.25 0.02 . 2 . . . . 55 PRO HG2 . 15690 1 625 . 2 1 55 55 PRO HG3 H 1 1.86 0.02 . 2 . . . . 55 PRO HG3 . 15690 1 626 . 2 1 55 55 PRO C C 13 176.5 0.3 . 1 . . . . 55 PRO C . 15690 1 627 . 2 1 55 55 PRO CA C 13 66.0 0.3 . 1 . . . . 55 PRO CA . 15690 1 628 . 2 1 55 55 PRO CB C 13 32.3 0.3 . 1 . . . . 55 PRO CB . 15690 1 629 . 2 1 55 55 PRO CD C 13 50.0 0.3 . 1 . . . . 55 PRO CD . 15690 1 630 . 2 1 55 55 PRO CG C 13 28.8 0.3 . 1 . . . . 55 PRO CG . 15690 1 631 . 2 1 56 56 LYS H H 1 7.49 0.02 . 1 . . . . 56 LYS H . 15690 1 632 . 2 1 56 56 LYS HA H 1 4.12 0.02 . 1 . . . . 56 LYS HA . 15690 1 633 . 2 1 56 56 LYS HB2 H 1 1.75 0.02 . 1 . . . . 56 LYS HB2 . 15690 1 634 . 2 1 56 56 LYS HD2 H 1 1.62 0.02 . 2 . . . . 56 LYS HD2 . 15690 1 635 . 2 1 56 56 LYS HD3 H 1 1.32 0.02 . 2 . . . . 56 LYS HD3 . 15690 1 636 . 2 1 56 56 LYS HE2 H 1 3.04 0.02 . 2 . . . . 56 LYS HE2 . 15690 1 637 . 2 1 56 56 LYS HE3 H 1 2.98 0.02 . 2 . . . . 56 LYS HE3 . 15690 1 638 . 2 1 56 56 LYS HG2 H 1 1.44 0.02 . 2 . . . . 56 LYS HG2 . 15690 1 639 . 2 1 56 56 LYS HG3 H 1 1.34 0.02 . 2 . . . . 56 LYS HG3 . 15690 1 640 . 2 1 56 56 LYS C C 13 178.4 0.3 . 1 . . . . 56 LYS C . 15690 1 641 . 2 1 56 56 LYS CA C 13 58.8 0.3 . 1 . . . . 56 LYS CA . 15690 1 642 . 2 1 56 56 LYS CB C 13 33.0 0.3 . 1 . . . . 56 LYS CB . 15690 1 643 . 2 1 56 56 LYS CD C 13 28.9 0.3 . 1 . . . . 56 LYS CD . 15690 1 644 . 2 1 56 56 LYS CE C 13 42.2 0.3 . 1 . . . . 56 LYS CE . 15690 1 645 . 2 1 56 56 LYS CG C 13 24.7 0.3 . 1 . . . . 56 LYS CG . 15690 1 646 . 2 1 56 56 LYS N N 15 114.1 0.3 . 1 . . . . 56 LYS N . 15690 1 647 . 2 1 57 57 THR H H 1 8.05 0.02 . 1 . . . . 57 THR H . 15690 1 648 . 2 1 57 57 THR HA H 1 4.15 0.02 . 1 . . . . 57 THR HA . 15690 1 649 . 2 1 57 57 THR HB H 1 4.37 0.02 . 1 . . . . 57 THR HB . 15690 1 650 . 2 1 57 57 THR HG21 H 1 1.27 0.02 . 1 . . . . 57 THR HG2 . 15690 1 651 . 2 1 57 57 THR HG22 H 1 1.27 0.02 . 1 . . . . 57 THR HG2 . 15690 1 652 . 2 1 57 57 THR HG23 H 1 1.27 0.02 . 1 . . . . 57 THR HG2 . 15690 1 653 . 2 1 57 57 THR C C 13 179.5 0.3 . 1 . . . . 57 THR C . 15690 1 654 . 2 1 57 57 THR CA C 13 65.6 0.3 . 1 . . . . 57 THR CA . 15690 1 655 . 2 1 57 57 THR CB C 13 67.7 0.3 . 1 . . . . 57 THR CB . 15690 1 656 . 2 1 57 57 THR CG2 C 13 22.4 0.3 . 1 . . . . 57 THR CG2 . 15690 1 657 . 2 1 57 57 THR N N 15 112.5 0.3 . 1 . . . . 57 THR N . 15690 1 658 . 2 1 58 58 LEU H H 1 7.89 0.02 . 1 . . . . 58 LEU H . 15690 1 659 . 2 1 58 58 LEU HA H 1 3.96 0.02 . 1 . . . . 58 LEU HA . 15690 1 660 . 2 1 58 58 LEU HB2 H 1 1.71 0.02 . 2 . . . . 58 LEU HB2 . 15690 1 661 . 2 1 58 58 LEU HB3 H 1 1.64 0.02 . 2 . . . . 58 LEU HB3 . 15690 1 662 . 2 1 58 58 LEU HD11 H 1 -0.13 0.02 . 1 . . . . 58 LEU HD1 . 15690 1 663 . 2 1 58 58 LEU HD12 H 1 -0.13 0.02 . 1 . . . . 58 LEU HD1 . 15690 1 664 . 2 1 58 58 LEU HD13 H 1 -0.13 0.02 . 1 . . . . 58 LEU HD1 . 15690 1 665 . 2 1 58 58 LEU HD21 H 1 0.43 0.02 . 1 . . . . 58 LEU HD2 . 15690 1 666 . 2 1 58 58 LEU HD22 H 1 0.43 0.02 . 1 . . . . 58 LEU HD2 . 15690 1 667 . 2 1 58 58 LEU HD23 H 1 0.43 0.02 . 1 . . . . 58 LEU HD2 . 15690 1 668 . 2 1 58 58 LEU HG H 1 1.53 0.02 . 1 . . . . 58 LEU HG . 15690 1 669 . 2 1 58 58 LEU C C 13 177.3 0.3 . 1 . . . . 58 LEU C . 15690 1 670 . 2 1 58 58 LEU CA C 13 57.6 0.3 . 1 . . . . 58 LEU CA . 15690 1 671 . 2 1 58 58 LEU CB C 13 41.1 0.3 . 1 . . . . 58 LEU CB . 15690 1 672 . 2 1 58 58 LEU CD1 C 13 25.0 0.3 . 1 . . . . 58 LEU CD1 . 15690 1 673 . 2 1 58 58 LEU CD2 C 13 22.4 0.3 . 1 . . . . 58 LEU CD2 . 15690 1 674 . 2 1 58 58 LEU CG C 13 25.3 0.3 . 1 . . . . 58 LEU CG . 15690 1 675 . 2 1 58 58 LEU N N 15 125.8 0.3 . 1 . . . . 58 LEU N . 15690 1 676 . 2 1 59 59 GLN H H 1 8.23 0.02 . 1 . . . . 59 GLN H . 15690 1 677 . 2 1 59 59 GLN HA H 1 3.59 0.02 . 1 . . . . 59 GLN HA . 15690 1 678 . 2 1 59 59 GLN HB2 H 1 2.56 0.02 . 2 . . . . 59 GLN HB2 . 15690 1 679 . 2 1 59 59 GLN HB3 H 1 1.89 0.02 . 2 . . . . 59 GLN HB3 . 15690 1 680 . 2 1 59 59 GLN HE21 H 1 7.49 0.02 . 1 . . . . 59 GLN HE21 . 15690 1 681 . 2 1 59 59 GLN HE22 H 1 6.72 0.02 . 1 . . . . 59 GLN HE22 . 15690 1 682 . 2 1 59 59 GLN HG2 H 1 2.15 0.02 . 1 . . . . 59 GLN HG2 . 15690 1 683 . 2 1 59 59 GLN C C 13 178.1 0.3 . 1 . . . . 59 GLN C . 15690 1 684 . 2 1 59 59 GLN CA C 13 60.1 0.3 . 1 . . . . 59 GLN CA . 15690 1 685 . 2 1 59 59 GLN CB C 13 27.7 0.3 . 1 . . . . 59 GLN CB . 15690 1 686 . 2 1 59 59 GLN CG C 13 32.9 0.3 . 1 . . . . 59 GLN CG . 15690 1 687 . 2 1 59 59 GLN N N 15 119.9 0.3 . 1 . . . . 59 GLN N . 15690 1 688 . 2 1 59 59 GLN NE2 N 15 111.3 0.3 . 1 . . . . 59 GLN NE2 . 15690 1 689 . 2 1 60 60 GLU H H 1 8.36 0.02 . 1 . . . . 60 GLU H . 15690 1 690 . 2 1 60 60 GLU HA H 1 3.88 0.02 . 1 . . . . 60 GLU HA . 15690 1 691 . 2 1 60 60 GLU HB2 H 1 2.09 0.02 . 1 . . . . 60 GLU HB2 . 15690 1 692 . 2 1 60 60 GLU HG2 H 1 2.57 0.02 . 1 . . . . 60 GLU HG2 . 15690 1 693 . 2 1 60 60 GLU C C 13 178.3 0.3 . 1 . . . . 60 GLU C . 15690 1 694 . 2 1 60 60 GLU CA C 13 58.7 0.3 . 1 . . . . 60 GLU CA . 15690 1 695 . 2 1 60 60 GLU CB C 13 29.4 0.3 . 1 . . . . 60 GLU CB . 15690 1 696 . 2 1 60 60 GLU CG C 13 37.0 0.3 . 1 . . . . 60 GLU CG . 15690 1 697 . 2 1 60 60 GLU N N 15 118.3 0.3 . 1 . . . . 60 GLU N . 15690 1 698 . 2 1 61 61 ALA H H 1 7.62 0.02 . 1 . . . . 61 ALA H . 15690 1 699 . 2 1 61 61 ALA HA H 1 4.16 0.02 . 1 . . . . 61 ALA HA . 15690 1 700 . 2 1 61 61 ALA HB1 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 15690 1 701 . 2 1 61 61 ALA HB2 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 15690 1 702 . 2 1 61 61 ALA HB3 H 1 1.43 0.02 . 1 . . . . 61 ALA HB . 15690 1 703 . 2 1 61 61 ALA C C 13 180.1 0.3 . 1 . . . . 61 ALA C . 15690 1 704 . 2 1 61 61 ALA CA C 13 54.7 0.3 . 1 . . . . 61 ALA CA . 15690 1 705 . 2 1 61 61 ALA CB C 13 17.7 0.3 . 1 . . . . 61 ALA CB . 15690 1 706 . 2 1 61 61 ALA N N 15 121.0 0.3 . 1 . . . . 61 ALA N . 15690 1 707 . 2 1 62 62 ILE H H 1 7.43 0.02 . 1 . . . . 62 ILE H . 15690 1 708 . 2 1 62 62 ILE HA H 1 3.71 0.02 . 1 . . . . 62 ILE HA . 15690 1 709 . 2 1 62 62 ILE HB H 1 1.71 0.02 . 1 . . . . 62 ILE HB . 15690 1 710 . 2 1 62 62 ILE HD11 H 1 0.54 0.02 . 1 . . . . 62 ILE HD1 . 15690 1 711 . 2 1 62 62 ILE HD12 H 1 0.54 0.02 . 1 . . . . 62 ILE HD1 . 15690 1 712 . 2 1 62 62 ILE HD13 H 1 0.54 0.02 . 1 . . . . 62 ILE HD1 . 15690 1 713 . 2 1 62 62 ILE HG21 H 1 0.88 0.02 . 1 . . . . 62 ILE HG2 . 15690 1 714 . 2 1 62 62 ILE HG22 H 1 0.88 0.02 . 1 . . . . 62 ILE HG2 . 15690 1 715 . 2 1 62 62 ILE HG23 H 1 0.88 0.02 . 1 . . . . 62 ILE HG2 . 15690 1 716 . 2 1 62 62 ILE C C 13 178.3 0.3 . 1 . . . . 62 ILE C . 15690 1 717 . 2 1 62 62 ILE CA C 13 65.7 0.3 . 1 . . . . 62 ILE CA . 15690 1 718 . 2 1 62 62 ILE CB C 13 38.0 0.3 . 1 . . . . 62 ILE CB . 15690 1 719 . 2 1 62 62 ILE CD1 C 13 13.1 0.3 . 1 . . . . 62 ILE CD1 . 15690 1 720 . 2 1 62 62 ILE CG1 C 13 29.9 0.3 . 1 . . . . 62 ILE CG1 . 15690 1 721 . 2 1 62 62 ILE CG2 C 13 18.8 0.3 . 1 . . . . 62 ILE CG2 . 15690 1 722 . 2 1 62 62 ILE N N 15 118.7 0.3 . 1 . . . . 62 ILE N . 15690 1 723 . 2 1 63 63 ASP H H 1 8.43 0.02 . 1 . . . . 63 ASP H . 15690 1 724 . 2 1 63 63 ASP HA H 1 5.04 0.02 . 1 . . . . 63 ASP HA . 15690 1 725 . 2 1 63 63 ASP HB2 H 1 2.58 0.02 . 2 . . . . 63 ASP HB2 . 15690 1 726 . 2 1 63 63 ASP HB3 H 1 2.81 0.02 . 2 . . . . 63 ASP HB3 . 15690 1 727 . 2 1 63 63 ASP C C 13 181.3 0.3 . 1 . . . . 63 ASP C . 15690 1 728 . 2 1 63 63 ASP CA C 13 56.2 0.3 . 1 . . . . 63 ASP CA . 15690 1 729 . 2 1 63 63 ASP CB C 13 41.2 0.3 . 1 . . . . 63 ASP CB . 15690 1 730 . 2 1 63 63 ASP N N 15 123.1 0.3 . 1 . . . . 63 ASP N . 15690 1 731 . 2 1 64 64 ASP H H 1 8.34 0.02 . 1 . . . . 64 ASP H . 15690 1 732 . 2 1 64 64 ASP HA H 1 4.38 0.02 . 1 . . . . 64 ASP HA . 15690 1 733 . 2 1 64 64 ASP HB2 H 1 3.17 0.02 . 2 . . . . 64 ASP HB2 . 15690 1 734 . 2 1 64 64 ASP HB3 H 1 2.41 0.02 . 2 . . . . 64 ASP HB3 . 15690 1 735 . 2 1 64 64 ASP CA C 13 56.4 0.3 . 1 . . . . 64 ASP CA . 15690 1 736 . 2 1 64 64 ASP CB C 13 41.0 0.3 . 1 . . . . 64 ASP CB . 15690 1 737 . 2 1 64 64 ASP N N 15 119.3 0.3 . 1 . . . . 64 ASP N . 15690 1 738 . 2 1 65 65 MET HA H 1 3.73 0.02 . 1 . . . . 65 MET HA . 15690 1 739 . 2 1 65 65 MET HB2 H 1 1.94 0.02 . 2 . . . . 65 MET HB2 . 15690 1 740 . 2 1 65 65 MET HB3 H 1 2.00 0.02 . 2 . . . . 65 MET HB3 . 15690 1 741 . 2 1 65 65 MET HE1 H 1 2.04 0.02 . 1 . . . . 65 MET HE . 15690 1 742 . 2 1 65 65 MET HE2 H 1 2.04 0.02 . 1 . . . . 65 MET HE . 15690 1 743 . 2 1 65 65 MET HE3 H 1 2.04 0.02 . 1 . . . . 65 MET HE . 15690 1 744 . 2 1 65 65 MET HG2 H 1 2.52 0.02 . 1 . . . . 65 MET HG2 . 15690 1 745 . 2 1 65 65 MET CA C 13 55.9 0.3 . 1 . . . . 65 MET CA . 15690 1 746 . 2 1 65 65 MET CB C 13 35.0 0.3 . 1 . . . . 65 MET CB . 15690 1 747 . 2 1 65 65 MET CE C 13 17.4 0.3 . 1 . . . . 65 MET CE . 15690 1 748 . 2 1 65 65 MET CG C 13 31.9 0.3 . 1 . . . . 65 MET CG . 15690 1 749 . 2 1 66 66 GLY H H 1 8.10 0.02 . 1 . . . . 66 GLY H . 15690 1 750 . 2 1 66 66 GLY HA2 H 1 4.05 0.02 . 2 . . . . 66 GLY HA2 . 15690 1 751 . 2 1 66 66 GLY HA3 H 1 3.52 0.02 . 2 . . . . 66 GLY HA3 . 15690 1 752 . 2 1 66 66 GLY CA C 13 44.9 0.3 . 1 . . . . 66 GLY CA . 15690 1 753 . 2 1 67 67 PHE H H 1 6.75 0.02 . 1 . . . . 67 PHE H . 15690 1 754 . 2 1 67 67 PHE HA H 1 4.62 0.02 . 1 . . . . 67 PHE HA . 15690 1 755 . 2 1 67 67 PHE HB2 H 1 2.36 0.02 . 2 . . . . 67 PHE HB2 . 15690 1 756 . 2 1 67 67 PHE HB3 H 1 3.14 0.02 . 2 . . . . 67 PHE HB3 . 15690 1 757 . 2 1 67 67 PHE HD1 H 1 6.99 0.02 . 1 . . . . 67 PHE HD1 . 15690 1 758 . 2 1 67 67 PHE HE1 H 1 7.24 0.02 . 1 . . . . 67 PHE HE1 . 15690 1 759 . 2 1 67 67 PHE C C 13 172.8 0.3 . 1 . . . . 67 PHE C . 15690 1 760 . 2 1 67 67 PHE CA C 13 57.4 0.3 . 1 . . . . 67 PHE CA . 15690 1 761 . 2 1 67 67 PHE CB C 13 41.2 0.3 . 1 . . . . 67 PHE CB . 15690 1 762 . 2 1 67 67 PHE CD1 C 13 129.9 0.3 . 1 . . . . 67 PHE CD1 . 15690 1 763 . 2 1 67 67 PHE CE1 C 13 129.9 0.3 . 1 . . . . 67 PHE CE1 . 15690 1 764 . 2 1 67 67 PHE N N 15 118.1 0.3 . 1 . . . . 67 PHE N . 15690 1 765 . 2 1 68 68 ASP H H 1 7.93 0.02 . 1 . . . . 68 ASP H . 15690 1 766 . 2 1 68 68 ASP HA H 1 4.94 0.02 . 1 . . . . 68 ASP HA . 15690 1 767 . 2 1 68 68 ASP HB2 H 1 2.60 0.02 . 2 . . . . 68 ASP HB2 . 15690 1 768 . 2 1 68 68 ASP HB3 H 1 2.44 0.02 . 2 . . . . 68 ASP HB3 . 15690 1 769 . 2 1 68 68 ASP C C 13 175.0 0.3 . 1 . . . . 68 ASP C . 15690 1 770 . 2 1 68 68 ASP CA C 13 53.6 0.3 . 1 . . . . 68 ASP CA . 15690 1 771 . 2 1 68 68 ASP CB C 13 41.6 0.3 . 1 . . . . 68 ASP CB . 15690 1 772 . 2 1 68 68 ASP N N 15 118.5 0.3 . 1 . . . . 68 ASP N . 15690 1 773 . 2 1 69 69 ALA H H 1 9.21 0.02 . 1 . . . . 69 ALA H . 15690 1 774 . 2 1 69 69 ALA HA H 1 5.51 0.02 . 1 . . . . 69 ALA HA . 15690 1 775 . 2 1 69 69 ALA HB1 H 1 1.08 0.02 . 1 . . . . 69 ALA HB . 15690 1 776 . 2 1 69 69 ALA HB2 H 1 1.08 0.02 . 1 . . . . 69 ALA HB . 15690 1 777 . 2 1 69 69 ALA HB3 H 1 1.08 0.02 . 1 . . . . 69 ALA HB . 15690 1 778 . 2 1 69 69 ALA C C 13 176.6 0.3 . 1 . . . . 69 ALA C . 15690 1 779 . 2 1 69 69 ALA CA C 13 50.4 0.3 . 1 . . . . 69 ALA CA . 15690 1 780 . 2 1 69 69 ALA CB C 13 21.8 0.3 . 1 . . . . 69 ALA CB . 15690 1 781 . 2 1 69 69 ALA N N 15 129.6 0.3 . 1 . . . . 69 ALA N . 15690 1 782 . 2 1 70 70 VAL H H 1 8.70 0.02 . 1 . . . . 70 VAL H . 15690 1 783 . 2 1 70 70 VAL HA H 1 4.33 0.02 . 1 . . . . 70 VAL HA . 15690 1 784 . 2 1 70 70 VAL HB H 1 1.89 0.02 . 1 . . . . 70 VAL HB . 15690 1 785 . 2 1 70 70 VAL HG11 H 1 0.94 0.02 . 1 . . . . 70 VAL HG1 . 15690 1 786 . 2 1 70 70 VAL HG12 H 1 0.94 0.02 . 1 . . . . 70 VAL HG1 . 15690 1 787 . 2 1 70 70 VAL HG13 H 1 0.94 0.02 . 1 . . . . 70 VAL HG1 . 15690 1 788 . 2 1 70 70 VAL HG21 H 1 0.82 0.02 . 1 . . . . 70 VAL HG2 . 15690 1 789 . 2 1 70 70 VAL HG22 H 1 0.82 0.02 . 1 . . . . 70 VAL HG2 . 15690 1 790 . 2 1 70 70 VAL HG23 H 1 0.82 0.02 . 1 . . . . 70 VAL HG2 . 15690 1 791 . 2 1 70 70 VAL C C 13 174.6 0.3 . 1 . . . . 70 VAL C . 15690 1 792 . 2 1 70 70 VAL CA C 13 61.1 0.3 . 1 . . . . 70 VAL CA . 15690 1 793 . 2 1 70 70 VAL CB C 13 35.9 0.3 . 1 . . . . 70 VAL CB . 15690 1 794 . 2 1 70 70 VAL CG1 C 13 17.7 0.3 . 1 . . . . 70 VAL CG1 . 15690 1 795 . 2 1 70 70 VAL CG2 C 13 21.1 0.3 . 1 . . . . 70 VAL CG2 . 15690 1 796 . 2 1 70 70 VAL N N 15 121.6 0.3 . 1 . . . . 70 VAL N . 15690 1 797 . 2 1 71 71 ILE H H 1 8.64 0.02 . 1 . . . . 71 ILE H . 15690 1 798 . 2 1 71 71 ILE HA H 1 3.93 0.02 . 1 . . . . 71 ILE HA . 15690 1 799 . 2 1 71 71 ILE HB H 1 1.73 0.02 . 1 . . . . 71 ILE HB . 15690 1 800 . 2 1 71 71 ILE HD11 H 1 0.78 0.02 . 1 . . . . 71 ILE HD1 . 15690 1 801 . 2 1 71 71 ILE HD12 H 1 0.78 0.02 . 1 . . . . 71 ILE HD1 . 15690 1 802 . 2 1 71 71 ILE HD13 H 1 0.78 0.02 . 1 . . . . 71 ILE HD1 . 15690 1 803 . 2 1 71 71 ILE HG12 H 1 0.80 0.02 . 2 . . . . 71 ILE HG12 . 15690 1 804 . 2 1 71 71 ILE HG13 H 1 0.83 0.02 . 2 . . . . 71 ILE HG13 . 15690 1 805 . 2 1 71 71 ILE HG21 H 1 0.85 0.02 . 1 . . . . 71 ILE HG2 . 15690 1 806 . 2 1 71 71 ILE HG22 H 1 0.85 0.02 . 1 . . . . 71 ILE HG2 . 15690 1 807 . 2 1 71 71 ILE HG23 H 1 0.85 0.02 . 1 . . . . 71 ILE HG2 . 15690 1 808 . 2 1 71 71 ILE C C 13 175.4 0.3 . 1 . . . . 71 ILE C . 15690 1 809 . 2 1 71 71 ILE CA C 13 62.8 0.3 . 1 . . . . 71 ILE CA . 15690 1 810 . 2 1 71 71 ILE CB C 13 38.7 0.3 . 1 . . . . 71 ILE CB . 15690 1 811 . 2 1 71 71 ILE CD1 C 13 14.0 0.3 . 1 . . . . 71 ILE CD1 . 15690 1 812 . 2 1 71 71 ILE CG1 C 13 28.8 0.3 . 1 . . . . 71 ILE CG1 . 15690 1 813 . 2 1 71 71 ILE CG2 C 13 17.7 0.3 . 1 . . . . 71 ILE CG2 . 15690 1 814 . 2 1 71 71 ILE N N 15 126.4 0.3 . 1 . . . . 71 ILE N . 15690 1 815 . 2 1 72 72 HIS H H 1 8.83 0.02 . 1 . . . . 72 HIS H . 15690 1 816 . 2 1 72 72 HIS HA H 1 4.77 0.02 . 1 . . . . 72 HIS HA . 15690 1 817 . 2 1 72 72 HIS HB2 H 1 2.54 0.02 . 1 . . . . 72 HIS HB2 . 15690 1 818 . 2 1 72 72 HIS HD2 H 1 6.68 0.02 . 1 . . . . 72 HIS HD2 . 15690 1 819 . 2 1 72 72 HIS CA C 13 56.7 0.3 . 1 . . . . 72 HIS CA . 15690 1 820 . 2 1 72 72 HIS CB C 13 31.6 0.3 . 1 . . . . 72 HIS CB . 15690 1 821 . 2 1 72 72 HIS CD2 C 13 116.2 0.3 . 1 . . . . 72 HIS CD2 . 15690 1 822 . 2 1 72 72 HIS N N 15 127.5 0.3 . 1 . . . . 72 HIS N . 15690 1 823 . 2 1 73 73 ASN HA H 1 4.33 0.02 . 1 . . . . 73 ASN HA . 15690 1 824 . 2 1 73 73 ASN HB2 H 1 2.67 0.02 . 2 . . . . 73 ASN HB2 . 15690 1 825 . 2 1 73 73 ASN HB3 H 1 2.73 0.02 . 2 . . . . 73 ASN HB3 . 15690 1 826 . 2 1 73 73 ASN HD21 H 1 7.71 0.02 . 1 . . . . 73 ASN HD21 . 15690 1 827 . 2 1 73 73 ASN HD22 H 1 6.93 0.02 . 1 . . . . 73 ASN HD22 . 15690 1 828 . 2 1 73 73 ASN CA C 13 53.7 0.3 . 1 . . . . 73 ASN CA . 15690 1 829 . 2 1 73 73 ASN CB C 13 39.9 0.3 . 1 . . . . 73 ASN CB . 15690 1 830 . 2 1 73 73 ASN ND2 N 15 112.1 0.3 . 1 . . . . 73 ASN ND2 . 15690 1 831 . 3 2 2 2 PRO HA H 1 4.33 0.02 . 1 . . . . 75 PRO HA . 15690 1 832 . 3 2 2 2 PRO HB2 H 1 2.36 0.02 . 2 . . . . 75 PRO HB2 . 15690 1 833 . 3 2 2 2 PRO HB3 H 1 1.70 0.02 . 2 . . . . 75 PRO HB3 . 15690 1 834 . 3 2 2 2 PRO HD2 H 1 3.61 0.02 . 2 . . . . 75 PRO HD2 . 15690 1 835 . 3 2 2 2 PRO HD3 H 1 3.51 0.02 . 2 . . . . 75 PRO HD3 . 15690 1 836 . 3 2 2 2 PRO HG2 H 1 2.18 0.02 . 2 . . . . 75 PRO HG2 . 15690 1 837 . 3 2 2 2 PRO HG3 H 1 2.09 0.02 . 2 . . . . 75 PRO HG3 . 15690 1 838 . 3 2 2 2 PRO C C 13 171.3 0.3 . 1 . . . . 75 PRO C . 15690 1 839 . 3 2 2 2 PRO CA C 13 62.8 0.3 . 1 . . . . 75 PRO CA . 15690 1 840 . 3 2 2 2 PRO CB C 13 32.9 0.3 . 1 . . . . 75 PRO CB . 15690 1 841 . 3 2 2 2 PRO CD C 13 49.7 0.3 . 1 . . . . 75 PRO CD . 15690 1 842 . 3 2 2 2 PRO CG C 13 26.9 0.3 . 1 . . . . 75 PRO CG . 15690 1 843 . 3 2 3 3 LYS H H 1 8.76 0.02 . 1 . . . . 76 LYS H . 15690 1 844 . 3 2 3 3 LYS HA H 1 5.08 0.02 . 1 . . . . 76 LYS HA . 15690 1 845 . 3 2 3 3 LYS HB2 H 1 1.61 0.02 . 2 . . . . 76 LYS HB2 . 15690 1 846 . 3 2 3 3 LYS HB3 H 1 1.67 0.02 . 2 . . . . 76 LYS HB3 . 15690 1 847 . 3 2 3 3 LYS HD2 H 1 1.63 0.02 . 1 . . . . 76 LYS HD2 . 15690 1 848 . 3 2 3 3 LYS HE2 H 1 2.89 0.02 . 1 . . . . 76 LYS HE2 . 15690 1 849 . 3 2 3 3 LYS HG2 H 1 1.00 0.02 . 2 . . . . 76 LYS HG2 . 15690 1 850 . 3 2 3 3 LYS HG3 H 1 1.36 0.02 . 2 . . . . 76 LYS HG3 . 15690 1 851 . 3 2 3 3 LYS C C 13 174.3 0.3 . 1 . . . . 76 LYS C . 15690 1 852 . 3 2 3 3 LYS CA C 13 56.5 0.3 . 1 . . . . 76 LYS CA . 15690 1 853 . 3 2 3 3 LYS CB C 13 33.8 0.3 . 1 . . . . 76 LYS CB . 15690 1 854 . 3 2 3 3 LYS CD C 13 29.7 0.3 . 1 . . . . 76 LYS CD . 15690 1 855 . 3 2 3 3 LYS CE C 13 43.0 0.3 . 1 . . . . 76 LYS CE . 15690 1 856 . 3 2 3 3 LYS CG C 13 25.7 0.3 . 1 . . . . 76 LYS CG . 15690 1 857 . 3 2 3 3 LYS N N 15 122.6 0.3 . 1 . . . . 76 LYS N . 15690 1 858 . 3 2 4 4 HIS H H 1 8.94 0.02 . 1 . . . . 77 HIS H . 15690 1 859 . 3 2 4 4 HIS HA H 1 5.01 0.02 . 1 . . . . 77 HIS HA . 15690 1 860 . 3 2 4 4 HIS HB2 H 1 3.14 0.02 . 2 . . . . 77 HIS HB2 . 15690 1 861 . 3 2 4 4 HIS HB3 H 1 3.04 0.02 . 2 . . . . 77 HIS HB3 . 15690 1 862 . 3 2 4 4 HIS HD2 H 1 7.13 0.02 . 1 . . . . 77 HIS HD2 . 15690 1 863 . 3 2 4 4 HIS C C 13 174.6 0.3 . 1 . . . . 77 HIS C . 15690 1 864 . 3 2 4 4 HIS CA C 13 56.5 0.3 . 1 . . . . 77 HIS CA . 15690 1 865 . 3 2 4 4 HIS CB C 13 36.4 0.3 . 1 . . . . 77 HIS CB . 15690 1 866 . 3 2 4 4 HIS CD2 C 13 117.1 0.3 . 1 . . . . 77 HIS CD2 . 15690 1 867 . 3 2 4 4 HIS N N 15 123.3 0.3 . 1 . . . . 77 HIS N . 15690 1 868 . 3 2 5 5 GLU H H 1 8.96 0.02 . 1 . . . . 78 GLU H . 15690 1 869 . 3 2 5 5 GLU HA H 1 5.32 0.02 . 1 . . . . 78 GLU HA . 15690 1 870 . 3 2 5 5 GLU HB2 H 1 1.87 0.02 . 2 . . . . 78 GLU HB2 . 15690 1 871 . 3 2 5 5 GLU HB3 H 1 1.80 0.02 . 2 . . . . 78 GLU HB3 . 15690 1 872 . 3 2 5 5 GLU HG2 H 1 2.23 0.02 . 2 . . . . 78 GLU HG2 . 15690 1 873 . 3 2 5 5 GLU HG3 H 1 2.09 0.02 . 2 . . . . 78 GLU HG3 . 15690 1 874 . 3 2 5 5 GLU C C 13 174.3 0.3 . 1 . . . . 78 GLU C . 15690 1 875 . 3 2 5 5 GLU CA C 13 55.4 0.3 . 1 . . . . 78 GLU CA . 15690 1 876 . 3 2 5 5 GLU CB C 13 33.1 0.3 . 1 . . . . 78 GLU CB . 15690 1 877 . 3 2 5 5 GLU CG C 13 37.4 0.3 . 1 . . . . 78 GLU CG . 15690 1 878 . 3 2 5 5 GLU N N 15 122.2 0.3 . 1 . . . . 78 GLU N . 15690 1 879 . 3 2 6 6 PHE H H 1 9.09 0.02 . 1 . . . . 79 PHE H . 15690 1 880 . 3 2 6 6 PHE HA H 1 5.21 0.02 . 1 . . . . 79 PHE HA . 15690 1 881 . 3 2 6 6 PHE HB2 H 1 2.88 0.02 . 2 . . . . 79 PHE HB2 . 15690 1 882 . 3 2 6 6 PHE HB3 H 1 2.65 0.02 . 2 . . . . 79 PHE HB3 . 15690 1 883 . 3 2 6 6 PHE HD1 H 1 7.13 0.02 . 1 . . . . 79 PHE HD1 . 15690 1 884 . 3 2 6 6 PHE HE1 H 1 7.11 0.02 . 1 . . . . 79 PHE HE1 . 15690 1 885 . 3 2 6 6 PHE C C 13 175.0 0.3 . 1 . . . . 79 PHE C . 15690 1 886 . 3 2 6 6 PHE CA C 13 56.5 0.3 . 1 . . . . 79 PHE CA . 15690 1 887 . 3 2 6 6 PHE CB C 13 42.6 0.3 . 1 . . . . 79 PHE CB . 15690 1 888 . 3 2 6 6 PHE CD1 C 13 129.3 0.3 . 1 . . . . 79 PHE CD1 . 15690 1 889 . 3 2 6 6 PHE CE1 C 13 127.9 0.3 . 1 . . . . 79 PHE CE1 . 15690 1 890 . 3 2 6 6 PHE N N 15 119.1 0.3 . 1 . . . . 79 PHE N . 15690 1 891 . 3 2 7 7 SER H H 1 9.39 0.02 . 1 . . . . 80 SER H . 15690 1 892 . 3 2 7 7 SER HA H 1 5.39 0.02 . 1 . . . . 80 SER HA . 15690 1 893 . 3 2 7 7 SER HB2 H 1 3.93 0.02 . 2 . . . . 80 SER HB2 . 15690 1 894 . 3 2 7 7 SER HB3 H 1 3.87 0.02 . 2 . . . . 80 SER HB3 . 15690 1 895 . 3 2 7 7 SER C C 13 174.7 0.3 . 1 . . . . 80 SER C . 15690 1 896 . 3 2 7 7 SER CA C 13 56.5 0.3 . 1 . . . . 80 SER CA . 15690 1 897 . 3 2 7 7 SER CB C 13 64.8 0.3 . 1 . . . . 80 SER CB . 15690 1 898 . 3 2 7 7 SER N N 15 117.9 0.3 . 1 . . . . 80 SER N . 15690 1 899 . 3 2 8 8 VAL H H 1 8.08 0.02 . 1 . . . . 81 VAL H . 15690 1 900 . 3 2 8 8 VAL HA H 1 4.76 0.02 . 1 . . . . 81 VAL HA . 15690 1 901 . 3 2 8 8 VAL HB H 1 1.69 0.02 . 1 . . . . 81 VAL HB . 15690 1 902 . 3 2 8 8 VAL HG11 H 1 0.88 0.02 . 1 . . . . 81 VAL HG1 . 15690 1 903 . 3 2 8 8 VAL HG12 H 1 0.88 0.02 . 1 . . . . 81 VAL HG1 . 15690 1 904 . 3 2 8 8 VAL HG13 H 1 0.88 0.02 . 1 . . . . 81 VAL HG1 . 15690 1 905 . 3 2 8 8 VAL HG21 H 1 0.69 0.02 . 1 . . . . 81 VAL HG2 . 15690 1 906 . 3 2 8 8 VAL HG22 H 1 0.69 0.02 . 1 . . . . 81 VAL HG2 . 15690 1 907 . 3 2 8 8 VAL HG23 H 1 0.69 0.02 . 1 . . . . 81 VAL HG2 . 15690 1 908 . 3 2 8 8 VAL CA C 13 60.5 0.3 . 1 . . . . 81 VAL CA . 15690 1 909 . 3 2 8 8 VAL CB C 13 35.8 0.3 . 1 . . . . 81 VAL CB . 15690 1 910 . 3 2 8 8 VAL CG1 C 13 22.8 0.3 . 1 . . . . 81 VAL CG1 . 15690 1 911 . 3 2 8 8 VAL CG2 C 13 20.7 0.3 . 1 . . . . 81 VAL CG2 . 15690 1 912 . 3 2 8 8 VAL N N 15 125.2 0.3 . 1 . . . . 81 VAL N . 15690 1 913 . 3 2 9 9 ASP H H 1 8.05 0.02 . 1 . . . . 82 ASP H . 15690 1 914 . 3 2 9 9 ASP HA H 1 4.51 0.02 . 1 . . . . 82 ASP HA . 15690 1 915 . 3 2 9 9 ASP HB2 H 1 2.97 0.02 . 2 . . . . 82 ASP HB2 . 15690 1 916 . 3 2 9 9 ASP HB3 H 1 2.62 0.02 . 2 . . . . 82 ASP HB3 . 15690 1 917 . 3 2 9 9 ASP C C 13 174.2 0.3 . 1 . . . . 82 ASP C . 15690 1 918 . 3 2 9 9 ASP CA C 13 55.0 0.3 . 1 . . . . 82 ASP CA . 15690 1 919 . 3 2 9 9 ASP CB C 13 40.4 0.3 . 1 . . . . 82 ASP CB . 15690 1 920 . 3 2 9 9 ASP N N 15 125.9 0.3 . 1 . . . . 82 ASP N . 15690 1 921 . 3 2 10 10 MET H H 1 7.89 0.02 . 1 . . . . 83 MET H . 15690 1 922 . 3 2 10 10 MET HA H 1 4.20 0.02 . 1 . . . . 83 MET HA . 15690 1 923 . 3 2 10 10 MET HB2 H 1 1.83 0.02 . 1 . . . . 83 MET HB2 . 15690 1 924 . 3 2 10 10 MET HG2 H 1 2.00 0.02 . 1 . . . . 83 MET HG2 . 15690 1 925 . 3 2 10 10 MET C C 13 178.1 0.3 . 1 . . . . 83 MET C . 15690 1 926 . 3 2 10 10 MET CA C 13 57.2 0.3 . 1 . . . . 83 MET CA . 15690 1 927 . 3 2 10 10 MET CB C 13 30.9 0.3 . 1 . . . . 83 MET CB . 15690 1 928 . 3 2 10 10 MET CG C 13 30.9 0.3 . 1 . . . . 83 MET CG . 15690 1 929 . 3 2 10 10 MET N N 15 125.9 0.3 . 1 . . . . 83 MET N . 15690 1 930 . 3 2 11 11 THR H H 1 7.52 0.02 . 1 . . . . 84 THR H . 15690 1 931 . 3 2 11 11 THR HA H 1 4.23 0.02 . 1 . . . . 84 THR HA . 15690 1 932 . 3 2 11 11 THR HB H 1 4.34 0.02 . 1 . . . . 84 THR HB . 15690 1 933 . 3 2 11 11 THR HG21 H 1 1.18 0.02 . 1 . . . . 84 THR HG2 . 15690 1 934 . 3 2 11 11 THR HG22 H 1 1.18 0.02 . 1 . . . . 84 THR HG2 . 15690 1 935 . 3 2 11 11 THR HG23 H 1 1.18 0.02 . 1 . . . . 84 THR HG2 . 15690 1 936 . 3 2 11 11 THR CA C 13 63.2 0.3 . 1 . . . . 84 THR CA . 15690 1 937 . 3 2 11 11 THR CB C 13 71.2 0.3 . 1 . . . . 84 THR CB . 15690 1 938 . 3 2 11 11 THR CG2 C 13 21.8 0.3 . 1 . . . . 84 THR CG2 . 15690 1 939 . 3 2 11 11 THR N N 15 106.5 0.3 . 1 . . . . 84 THR N . 15690 1 940 . 3 2 12 12 CYS H H 1 8.52 0.02 . 1 . . . . 85 CYS H . 15690 1 941 . 3 2 12 12 CYS HA H 1 5.18 0.02 . 1 . . . . 85 CYS HA . 15690 1 942 . 3 2 12 12 CYS HB2 H 1 3.12 0.02 . 2 . . . . 85 CYS HB2 . 15690 1 943 . 3 2 12 12 CYS HB3 H 1 3.03 0.02 . 2 . . . . 85 CYS HB3 . 15690 1 944 . 3 2 12 12 CYS CA C 13 56.5 0.3 . 1 . . . . 85 CYS CA . 15690 1 945 . 3 2 12 12 CYS CB C 13 32.5 0.3 . 1 . . . . 85 CYS CB . 15690 1 946 . 3 2 12 12 CYS N N 15 119.3 0.3 . 1 . . . . 85 CYS N . 15690 1 947 . 3 2 13 13 GLY H H 1 8.20 0.02 . 1 . . . . 86 GLY H . 15690 1 948 . 3 2 13 13 GLY HA2 H 1 3.92 0.02 . 2 . . . . 86 GLY HA2 . 15690 1 949 . 3 2 13 13 GLY HA3 H 1 4.10 0.02 . 2 . . . . 86 GLY HA3 . 15690 1 950 . 3 2 13 13 GLY CA C 13 46.7 0.3 . 1 . . . . 86 GLY CA . 15690 1 951 . 3 2 13 13 GLY N N 15 115.1 0.3 . 1 . . . . 86 GLY N . 15690 1 952 . 3 2 14 14 GLY H H 1 8.58 0.02 . 1 . . . . 87 GLY H . 15690 1 953 . 3 2 14 14 GLY HA2 H 1 4.03 0.02 . 2 . . . . 87 GLY HA2 . 15690 1 954 . 3 2 14 14 GLY HA3 H 1 4.30 0.02 . 2 . . . . 87 GLY HA3 . 15690 1 955 . 3 2 14 14 GLY CA C 13 47.0 0.3 . 1 . . . . 87 GLY CA . 15690 1 956 . 3 2 14 14 GLY N N 15 106.3 0.3 . 1 . . . . 87 GLY N . 15690 1 957 . 3 2 15 15 CYS H H 1 7.91 0.02 . 1 . . . . 88 CYS H . 15690 1 958 . 3 2 15 15 CYS HA H 1 4.12 0.02 . 1 . . . . 88 CYS HA . 15690 1 959 . 3 2 15 15 CYS HB2 H 1 2.74 0.02 . 2 . . . . 88 CYS HB2 . 15690 1 960 . 3 2 15 15 CYS HB3 H 1 3.52 0.02 . 2 . . . . 88 CYS HB3 . 15690 1 961 . 3 2 15 15 CYS C C 13 178.0 0.3 . 1 . . . . 88 CYS C . 15690 1 962 . 3 2 15 15 CYS CA C 13 64.6 0.3 . 1 . . . . 88 CYS CA . 15690 1 963 . 3 2 15 15 CYS CB C 13 30.9 0.3 . 1 . . . . 88 CYS CB . 15690 1 964 . 3 2 15 15 CYS N N 15 124.6 0.3 . 1 . . . . 88 CYS N . 15690 1 965 . 3 2 16 16 ALA H H 1 7.53 0.02 . 1 . . . . 89 ALA H . 15690 1 966 . 3 2 16 16 ALA HA H 1 4.06 0.02 . 1 . . . . 89 ALA HA . 15690 1 967 . 3 2 16 16 ALA HB1 H 1 1.62 0.02 . 1 . . . . 89 ALA HB . 15690 1 968 . 3 2 16 16 ALA HB2 H 1 1.62 0.02 . 1 . . . . 89 ALA HB . 15690 1 969 . 3 2 16 16 ALA HB3 H 1 1.62 0.02 . 1 . . . . 89 ALA HB . 15690 1 970 . 3 2 16 16 ALA C C 13 179.7 0.3 . 1 . . . . 89 ALA C . 15690 1 971 . 3 2 16 16 ALA CA C 13 55.1 0.3 . 1 . . . . 89 ALA CA . 15690 1 972 . 3 2 16 16 ALA CB C 13 18.7 0.3 . 1 . . . . 89 ALA CB . 15690 1 973 . 3 2 16 16 ALA N N 15 122.3 0.3 . 1 . . . . 89 ALA N . 15690 1 974 . 3 2 17 17 GLU H H 1 8.20 0.02 . 1 . . . . 90 GLU H . 15690 1 975 . 3 2 17 17 GLU HA H 1 4.09 0.02 . 1 . . . . 90 GLU HA . 15690 1 976 . 3 2 17 17 GLU HB2 H 1 2.20 0.02 . 2 . . . . 90 GLU HB2 . 15690 1 977 . 3 2 17 17 GLU HB3 H 1 2.09 0.02 . 2 . . . . 90 GLU HB3 . 15690 1 978 . 3 2 17 17 GLU HG2 H 1 2.39 0.02 . 2 . . . . 90 GLU HG2 . 15690 1 979 . 3 2 17 17 GLU HG3 H 1 2.30 0.02 . 2 . . . . 90 GLU HG3 . 15690 1 980 . 3 2 17 17 GLU C C 13 179.3 0.3 . 1 . . . . 90 GLU C . 15690 1 981 . 3 2 17 17 GLU CA C 13 59.3 0.3 . 1 . . . . 90 GLU CA . 15690 1 982 . 3 2 17 17 GLU CB C 13 29.0 0.3 . 1 . . . . 90 GLU CB . 15690 1 983 . 3 2 17 17 GLU CG C 13 36.1 0.3 . 1 . . . . 90 GLU CG . 15690 1 984 . 3 2 17 17 GLU N N 15 119.7 0.3 . 1 . . . . 90 GLU N . 15690 1 985 . 3 2 18 18 ALA H H 1 7.78 0.02 . 1 . . . . 91 ALA H . 15690 1 986 . 3 2 18 18 ALA HA H 1 4.06 0.02 . 1 . . . . 91 ALA HA . 15690 1 987 . 3 2 18 18 ALA HB1 H 1 1.56 0.02 . 1 . . . . 91 ALA HB . 15690 1 988 . 3 2 18 18 ALA HB2 H 1 1.56 0.02 . 1 . . . . 91 ALA HB . 15690 1 989 . 3 2 18 18 ALA HB3 H 1 1.56 0.02 . 1 . . . . 91 ALA HB . 15690 1 990 . 3 2 18 18 ALA C C 13 180.1 0.3 . 1 . . . . 91 ALA C . 15690 1 991 . 3 2 18 18 ALA CA C 13 55.4 0.3 . 1 . . . . 91 ALA CA . 15690 1 992 . 3 2 18 18 ALA CB C 13 18.2 0.3 . 1 . . . . 91 ALA CB . 15690 1 993 . 3 2 18 18 ALA N N 15 121.2 0.3 . 1 . . . . 91 ALA N . 15690 1 994 . 3 2 19 19 VAL H H 1 7.59 0.02 . 1 . . . . 92 VAL H . 15690 1 995 . 3 2 19 19 VAL HA H 1 3.25 0.02 . 1 . . . . 92 VAL HA . 15690 1 996 . 3 2 19 19 VAL HB H 1 2.18 0.02 . 1 . . . . 92 VAL HB . 15690 1 997 . 3 2 19 19 VAL HG11 H 1 0.97 0.02 . 1 . . . . 92 VAL HG1 . 15690 1 998 . 3 2 19 19 VAL HG12 H 1 0.97 0.02 . 1 . . . . 92 VAL HG1 . 15690 1 999 . 3 2 19 19 VAL HG13 H 1 0.97 0.02 . 1 . . . . 92 VAL HG1 . 15690 1 1000 . 3 2 19 19 VAL HG21 H 1 0.58 0.02 . 1 . . . . 92 VAL HG2 . 15690 1 1001 . 3 2 19 19 VAL HG22 H 1 0.58 0.02 . 1 . . . . 92 VAL HG2 . 15690 1 1002 . 3 2 19 19 VAL HG23 H 1 0.58 0.02 . 1 . . . . 92 VAL HG2 . 15690 1 1003 . 3 2 19 19 VAL C C 13 177.0 0.3 . 1 . . . . 92 VAL C . 15690 1 1004 . 3 2 19 19 VAL CA C 13 66.3 0.3 . 1 . . . . 92 VAL CA . 15690 1 1005 . 3 2 19 19 VAL CB C 13 30.6 0.3 . 1 . . . . 92 VAL CB . 15690 1 1006 . 3 2 19 19 VAL CG1 C 13 23.7 0.3 . 1 . . . . 92 VAL CG1 . 15690 1 1007 . 3 2 19 19 VAL CG2 C 13 21.5 0.3 . 1 . . . . 92 VAL CG2 . 15690 1 1008 . 3 2 19 19 VAL N N 15 118.1 0.3 . 1 . . . . 92 VAL N . 15690 1 1009 . 3 2 20 20 SER H H 1 8.00 0.02 . 1 . . . . 93 SER H . 15690 1 1010 . 3 2 20 20 SER HA H 1 3.70 0.02 . 1 . . . . 93 SER HA . 15690 1 1011 . 3 2 20 20 SER HB2 H 1 4.06 0.02 . 2 . . . . 93 SER HB2 . 15690 1 1012 . 3 2 20 20 SER HB3 H 1 4.16 0.02 . 2 . . . . 93 SER HB3 . 15690 1 1013 . 3 2 20 20 SER C C 13 179.7 0.3 . 1 . . . . 93 SER C . 15690 1 1014 . 3 2 20 20 SER CA C 13 61.9 0.3 . 1 . . . . 93 SER CA . 15690 1 1015 . 3 2 20 20 SER CB C 13 62.7 0.3 . 1 . . . . 93 SER CB . 15690 1 1016 . 3 2 20 20 SER N N 15 114.2 0.3 . 1 . . . . 93 SER N . 15690 1 1017 . 3 2 21 21 ARG H H 1 8.23 0.02 . 1 . . . . 94 ARG H . 15690 1 1018 . 3 2 21 21 ARG HA H 1 4.01 0.02 . 1 . . . . 94 ARG HA . 15690 1 1019 . 3 2 21 21 ARG HB2 H 1 1.86 0.02 . 2 . . . . 94 ARG HB2 . 15690 1 1020 . 3 2 21 21 ARG HB3 H 1 1.75 0.02 . 2 . . . . 94 ARG HB3 . 15690 1 1021 . 3 2 21 21 ARG HD2 H 1 3.12 0.02 . 1 . . . . 94 ARG HD2 . 15690 1 1022 . 3 2 21 21 ARG HG2 H 1 1.83 0.02 . 2 . . . . 94 ARG HG2 . 15690 1 1023 . 3 2 21 21 ARG HG3 H 1 1.57 0.02 . 2 . . . . 94 ARG HG3 . 15690 1 1024 . 3 2 21 21 ARG C C 13 180.2 0.3 . 1 . . . . 94 ARG C . 15690 1 1025 . 3 2 21 21 ARG CA C 13 57.8 0.3 . 1 . . . . 94 ARG CA . 15690 1 1026 . 3 2 21 21 ARG CB C 13 30.3 0.3 . 1 . . . . 94 ARG CB . 15690 1 1027 . 3 2 21 21 ARG CD C 13 43.5 0.3 . 1 . . . . 94 ARG CD . 15690 1 1028 . 3 2 21 21 ARG CG C 13 27.3 0.3 . 1 . . . . 94 ARG CG . 15690 1 1029 . 3 2 21 21 ARG N N 15 120.1 0.3 . 1 . . . . 94 ARG N . 15690 1 1030 . 3 2 22 22 VAL H H 1 7.55 0.02 . 1 . . . . 95 VAL H . 15690 1 1031 . 3 2 22 22 VAL HA H 1 3.98 0.02 . 1 . . . . 95 VAL HA . 15690 1 1032 . 3 2 22 22 VAL HB H 1 2.02 0.02 . 1 . . . . 95 VAL HB . 15690 1 1033 . 3 2 22 22 VAL HG11 H 1 0.82 0.02 . 1 . . . . 95 VAL HG1 . 15690 1 1034 . 3 2 22 22 VAL HG12 H 1 0.82 0.02 . 1 . . . . 95 VAL HG1 . 15690 1 1035 . 3 2 22 22 VAL HG13 H 1 0.82 0.02 . 1 . . . . 95 VAL HG1 . 15690 1 1036 . 3 2 22 22 VAL HG21 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15690 1 1037 . 3 2 22 22 VAL HG22 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15690 1 1038 . 3 2 22 22 VAL HG23 H 1 0.85 0.02 . 1 . . . . 95 VAL HG2 . 15690 1 1039 . 3 2 22 22 VAL C C 13 179.2 0.3 . 1 . . . . 95 VAL C . 15690 1 1040 . 3 2 22 22 VAL CA C 13 64.6 0.3 . 1 . . . . 95 VAL CA . 15690 1 1041 . 3 2 22 22 VAL CB C 13 30.9 0.3 . 1 . . . . 95 VAL CB . 15690 1 1042 . 3 2 22 22 VAL CG1 C 13 20.1 0.3 . 1 . . . . 95 VAL CG1 . 15690 1 1043 . 3 2 22 22 VAL CG2 C 13 21.4 0.3 . 1 . . . . 95 VAL CG2 . 15690 1 1044 . 3 2 22 22 VAL N N 15 112.2 0.3 . 1 . . . . 95 VAL N . 15690 1 1045 . 3 2 23 23 LEU H H 1 7.70 0.02 . 1 . . . . 96 LEU H . 15690 1 1046 . 3 2 23 23 LEU HA H 1 3.85 0.02 . 1 . . . . 96 LEU HA . 15690 1 1047 . 3 2 23 23 LEU HB2 H 1 0.85 0.02 . 2 . . . . 96 LEU HB2 . 15690 1 1048 . 3 2 23 23 LEU HB3 H 1 1.36 0.02 . 2 . . . . 96 LEU HB3 . 15690 1 1049 . 3 2 23 23 LEU HD11 H 1 0.46 0.02 . 1 . . . . 96 LEU HD1 . 15690 1 1050 . 3 2 23 23 LEU HD12 H 1 0.46 0.02 . 1 . . . . 96 LEU HD1 . 15690 1 1051 . 3 2 23 23 LEU HD13 H 1 0.46 0.02 . 1 . . . . 96 LEU HD1 . 15690 1 1052 . 3 2 23 23 LEU HD21 H 1 -0.04 0.02 . 1 . . . . 96 LEU HD2 . 15690 1 1053 . 3 2 23 23 LEU HD22 H 1 -0.04 0.02 . 1 . . . . 96 LEU HD2 . 15690 1 1054 . 3 2 23 23 LEU HD23 H 1 -0.04 0.02 . 1 . . . . 96 LEU HD2 . 15690 1 1055 . 3 2 23 23 LEU HG H 1 1.42 0.02 . 1 . . . . 96 LEU HG . 15690 1 1056 . 3 2 23 23 LEU C C 13 178.3 0.3 . 1 . . . . 96 LEU C . 15690 1 1057 . 3 2 23 23 LEU CA C 13 57.6 0.3 . 1 . . . . 96 LEU CA . 15690 1 1058 . 3 2 23 23 LEU CB C 13 40.7 0.3 . 1 . . . . 96 LEU CB . 15690 1 1059 . 3 2 23 23 LEU CD1 C 13 21.7 0.3 . 1 . . . . 96 LEU CD1 . 15690 1 1060 . 3 2 23 23 LEU CD2 C 13 25.5 0.3 . 1 . . . . 96 LEU CD2 . 15690 1 1061 . 3 2 23 23 LEU CG C 13 25.9 0.3 . 1 . . . . 96 LEU CG . 15690 1 1062 . 3 2 23 23 LEU N N 15 121.8 0.3 . 1 . . . . 96 LEU N . 15690 1 1063 . 3 2 24 24 ASN H H 1 8.80 0.02 . 1 . . . . 97 ASN H . 15690 1 1064 . 3 2 24 24 ASN HA H 1 4.45 0.02 . 1 . . . . 97 ASN HA . 15690 1 1065 . 3 2 24 24 ASN HB2 H 1 2.93 0.02 . 2 . . . . 97 ASN HB2 . 15690 1 1066 . 3 2 24 24 ASN HB3 H 1 2.89 0.02 . 2 . . . . 97 ASN HB3 . 15690 1 1067 . 3 2 24 24 ASN HD21 H 1 7.81 0.02 . 1 . . . . 97 ASN HD21 . 15690 1 1068 . 3 2 24 24 ASN HD22 H 1 7.21 0.02 . 1 . . . . 97 ASN HD22 . 15690 1 1069 . 3 2 24 24 ASN C C 13 178.0 0.3 . 1 . . . . 97 ASN C . 15690 1 1070 . 3 2 24 24 ASN CA C 13 55.1 0.3 . 1 . . . . 97 ASN CA . 15690 1 1071 . 3 2 24 24 ASN CB C 13 37.5 0.3 . 1 . . . . 97 ASN CB . 15690 1 1072 . 3 2 24 24 ASN N N 15 118.3 0.3 . 1 . . . . 97 ASN N . 15690 1 1073 . 3 2 24 24 ASN ND2 N 15 112.9 0.3 . 1 . . . . 97 ASN ND2 . 15690 1 1074 . 3 2 25 25 LYS H H 1 7.46 0.02 . 1 . . . . 98 LYS H . 15690 1 1075 . 3 2 25 25 LYS HA H 1 4.00 0.02 . 1 . . . . 98 LYS HA . 15690 1 1076 . 3 2 25 25 LYS HB2 H 1 1.90 0.02 . 2 . . . . 98 LYS HB2 . 15690 1 1077 . 3 2 25 25 LYS HB3 H 1 1.81 0.02 . 2 . . . . 98 LYS HB3 . 15690 1 1078 . 3 2 25 25 LYS HD2 H 1 1.64 0.02 . 1 . . . . 98 LYS HD2 . 15690 1 1079 . 3 2 25 25 LYS HE2 H 1 2.94 0.02 . 1 . . . . 98 LYS HE2 . 15690 1 1080 . 3 2 25 25 LYS HG2 H 1 1.51 0.02 . 2 . . . . 98 LYS HG2 . 15690 1 1081 . 3 2 25 25 LYS HG3 H 1 1.40 0.02 . 2 . . . . 98 LYS HG3 . 15690 1 1082 . 3 2 25 25 LYS C C 13 177.8 0.3 . 1 . . . . 98 LYS C . 15690 1 1083 . 3 2 25 25 LYS CA C 13 58.5 0.3 . 1 . . . . 98 LYS CA . 15690 1 1084 . 3 2 25 25 LYS CB C 13 32.5 0.3 . 1 . . . . 98 LYS CB . 15690 1 1085 . 3 2 25 25 LYS CD C 13 29.4 0.3 . 1 . . . . 98 LYS CD . 15690 1 1086 . 3 2 25 25 LYS CE C 13 42.2 0.3 . 1 . . . . 98 LYS CE . 15690 1 1087 . 3 2 25 25 LYS CG C 13 25.4 0.3 . 1 . . . . 98 LYS CG . 15690 1 1088 . 3 2 25 25 LYS N N 15 119.0 0.3 . 1 . . . . 98 LYS N . 15690 1 1089 . 3 2 26 26 LEU H H 1 7.10 0.02 . 1 . . . . 99 LEU H . 15690 1 1090 . 3 2 26 26 LEU HA H 1 4.13 0.02 . 1 . . . . 99 LEU HA . 15690 1 1091 . 3 2 26 26 LEU HB2 H 1 1.44 0.02 . 2 . . . . 99 LEU HB2 . 15690 1 1092 . 3 2 26 26 LEU HB3 H 1 1.96 0.02 . 2 . . . . 99 LEU HB3 . 15690 1 1093 . 3 2 26 26 LEU HD11 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 15690 1 1094 . 3 2 26 26 LEU HD12 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 15690 1 1095 . 3 2 26 26 LEU HD13 H 1 0.40 0.02 . 1 . . . . 99 LEU HD1 . 15690 1 1096 . 3 2 26 26 LEU HD21 H 1 0.47 0.02 . 1 . . . . 99 LEU HD2 . 15690 1 1097 . 3 2 26 26 LEU HD22 H 1 0.47 0.02 . 1 . . . . 99 LEU HD2 . 15690 1 1098 . 3 2 26 26 LEU HD23 H 1 0.47 0.02 . 1 . . . . 99 LEU HD2 . 15690 1 1099 . 3 2 26 26 LEU HG H 1 1.76 0.02 . 1 . . . . 99 LEU HG . 15690 1 1100 . 3 2 26 26 LEU C C 13 178.5 0.3 . 1 . . . . 99 LEU C . 15690 1 1101 . 3 2 26 26 LEU CA C 13 57.8 0.3 . 1 . . . . 99 LEU CA . 15690 1 1102 . 3 2 26 26 LEU CB C 13 42.1 0.3 . 1 . . . . 99 LEU CB . 15690 1 1103 . 3 2 26 26 LEU CD1 C 13 25.6 0.3 . 1 . . . . 99 LEU CD1 . 15690 1 1104 . 3 2 26 26 LEU CD2 C 13 22.0 0.3 . 1 . . . . 99 LEU CD2 . 15690 1 1105 . 3 2 26 26 LEU CG C 13 26.2 0.3 . 1 . . . . 99 LEU CG . 15690 1 1106 . 3 2 26 26 LEU N N 15 121.3 0.3 . 1 . . . . 99 LEU N . 15690 1 1107 . 3 2 27 27 GLY H H 1 7.75 0.02 . 1 . . . . 100 GLY H . 15690 1 1108 . 3 2 27 27 GLY HA2 H 1 3.98 0.02 . 2 . . . . 100 GLY HA2 . 15690 1 1109 . 3 2 27 27 GLY HA3 H 1 4.33 0.02 . 2 . . . . 100 GLY HA3 . 15690 1 1110 . 3 2 27 27 GLY C C 13 173.4 0.3 . 1 . . . . 100 GLY C . 15690 1 1111 . 3 2 27 27 GLY CA C 13 44.2 0.3 . 1 . . . . 100 GLY CA . 15690 1 1112 . 3 2 27 27 GLY N N 15 104.2 0.3 . 1 . . . . 100 GLY N . 15690 1 1113 . 3 2 28 28 GLY H H 1 8.59 0.02 . 1 . . . . 101 GLY H . 15690 1 1114 . 3 2 28 28 GLY HA2 H 1 3.93 0.02 . 1 . . . . 101 GLY HA2 . 15690 1 1115 . 3 2 28 28 GLY C C 13 175.5 0.3 . 1 . . . . 101 GLY C . 15690 1 1116 . 3 2 28 28 GLY CA C 13 47.5 0.3 . 1 . . . . 101 GLY CA . 15690 1 1117 . 3 2 28 28 GLY N N 15 106.3 0.3 . 1 . . . . 101 GLY N . 15690 1 1118 . 3 2 29 29 VAL H H 1 7.89 0.02 . 1 . . . . 102 VAL H . 15690 1 1119 . 3 2 29 29 VAL HA H 1 4.93 0.02 . 1 . . . . 102 VAL HA . 15690 1 1120 . 3 2 29 29 VAL HB H 1 2.03 0.02 . 1 . . . . 102 VAL HB . 15690 1 1121 . 3 2 29 29 VAL HG11 H 1 1.05 0.02 . 1 . . . . 102 VAL HG1 . 15690 1 1122 . 3 2 29 29 VAL HG12 H 1 1.05 0.02 . 1 . . . . 102 VAL HG1 . 15690 1 1123 . 3 2 29 29 VAL HG13 H 1 1.05 0.02 . 1 . . . . 102 VAL HG1 . 15690 1 1124 . 3 2 29 29 VAL HG21 H 1 0.95 0.02 . 1 . . . . 102 VAL HG2 . 15690 1 1125 . 3 2 29 29 VAL HG22 H 1 0.95 0.02 . 1 . . . . 102 VAL HG2 . 15690 1 1126 . 3 2 29 29 VAL HG23 H 1 0.95 0.02 . 1 . . . . 102 VAL HG2 . 15690 1 1127 . 3 2 29 29 VAL C C 13 174.2 0.3 . 1 . . . . 102 VAL C . 15690 1 1128 . 3 2 29 29 VAL CA C 13 59.5 0.3 . 1 . . . . 102 VAL CA . 15690 1 1129 . 3 2 29 29 VAL CB C 13 36.0 0.3 . 1 . . . . 102 VAL CB . 15690 1 1130 . 3 2 29 29 VAL CG1 C 13 23.0 0.3 . 1 . . . . 102 VAL CG1 . 15690 1 1131 . 3 2 29 29 VAL CG2 C 13 19.8 0.3 . 1 . . . . 102 VAL CG2 . 15690 1 1132 . 3 2 29 29 VAL N N 15 110.2 0.3 . 1 . . . . 102 VAL N . 15690 1 1133 . 3 2 30 30 LYS H H 1 8.28 0.02 . 1 . . . . 103 LYS H . 15690 1 1134 . 3 2 30 30 LYS HA H 1 4.60 0.02 . 1 . . . . 103 LYS HA . 15690 1 1135 . 3 2 30 30 LYS HB2 H 1 1.87 0.02 . 2 . . . . 103 LYS HB2 . 15690 1 1136 . 3 2 30 30 LYS HB3 H 1 1.77 0.02 . 2 . . . . 103 LYS HB3 . 15690 1 1137 . 3 2 30 30 LYS HD2 H 1 1.65 0.02 . 1 . . . . 103 LYS HD2 . 15690 1 1138 . 3 2 30 30 LYS HE2 H 1 2.95 0.02 . 1 . . . . 103 LYS HE2 . 15690 1 1139 . 3 2 30 30 LYS HG2 H 1 1.45 0.02 . 2 . . . . 103 LYS HG2 . 15690 1 1140 . 3 2 30 30 LYS HG3 H 1 1.38 0.02 . 2 . . . . 103 LYS HG3 . 15690 1 1141 . 3 2 30 30 LYS C C 13 175.0 0.3 . 1 . . . . 103 LYS C . 15690 1 1142 . 3 2 30 30 LYS CA C 13 56.5 0.3 . 1 . . . . 103 LYS CA . 15690 1 1143 . 3 2 30 30 LYS CB C 13 34.9 0.3 . 1 . . . . 103 LYS CB . 15690 1 1144 . 3 2 30 30 LYS CD C 13 29.4 0.3 . 1 . . . . 103 LYS CD . 15690 1 1145 . 3 2 30 30 LYS CE C 13 42.3 0.3 . 1 . . . . 103 LYS CE . 15690 1 1146 . 3 2 30 30 LYS CG C 13 25.0 0.3 . 1 . . . . 103 LYS CG . 15690 1 1147 . 3 2 30 30 LYS N N 15 123.6 0.3 . 1 . . . . 103 LYS N . 15690 1 1148 . 3 2 31 31 TYR H H 1 8.50 0.02 . 1 . . . . 104 TYR H . 15690 1 1149 . 3 2 31 31 TYR HA H 1 5.95 0.02 . 1 . . . . 104 TYR HA . 15690 1 1150 . 3 2 31 31 TYR HB2 H 1 2.71 0.02 . 1 . . . . 104 TYR HB2 . 15690 1 1151 . 3 2 31 31 TYR HD1 H 1 6.58 0.02 . 1 . . . . 104 TYR HD1 . 15690 1 1152 . 3 2 31 31 TYR HE1 H 1 6.81 0.02 . 1 . . . . 104 TYR HE1 . 15690 1 1153 . 3 2 31 31 TYR C C 13 172.8 0.3 . 1 . . . . 104 TYR C . 15690 1 1154 . 3 2 31 31 TYR CA C 13 55.2 0.3 . 1 . . . . 104 TYR CA . 15690 1 1155 . 3 2 31 31 TYR CB C 13 43.0 0.3 . 1 . . . . 104 TYR CB . 15690 1 1156 . 3 2 31 31 TYR CD1 C 13 132.0 0.3 . 1 . . . . 104 TYR CD1 . 15690 1 1157 . 3 2 31 31 TYR CE1 C 13 115.8 0.3 . 1 . . . . 104 TYR CE1 . 15690 1 1158 . 3 2 31 31 TYR N N 15 121.6 0.3 . 1 . . . . 104 TYR N . 15690 1 1159 . 3 2 32 32 ASP H H 1 8.77 0.02 . 1 . . . . 105 ASP H . 15690 1 1160 . 3 2 32 32 ASP HA H 1 5.01 0.02 . 1 . . . . 105 ASP HA . 15690 1 1161 . 3 2 32 32 ASP HB2 H 1 2.63 0.02 . 2 . . . . 105 ASP HB2 . 15690 1 1162 . 3 2 32 32 ASP HB3 H 1 2.50 0.02 . 2 . . . . 105 ASP HB3 . 15690 1 1163 . 3 2 32 32 ASP C C 13 174.9 0.3 . 1 . . . . 105 ASP C . 15690 1 1164 . 3 2 32 32 ASP CA C 13 53.8 0.3 . 1 . . . . 105 ASP CA . 15690 1 1165 . 3 2 32 32 ASP CB C 13 44.8 0.3 . 1 . . . . 105 ASP CB . 15690 1 1166 . 3 2 32 32 ASP N N 15 119.0 0.3 . 1 . . . . 105 ASP N . 15690 1 1167 . 3 2 33 33 ILE H H 1 9.08 0.02 . 1 . . . . 106 ILE H . 15690 1 1168 . 3 2 33 33 ILE HA H 1 4.36 0.02 . 1 . . . . 106 ILE HA . 15690 1 1169 . 3 2 33 33 ILE HB H 1 1.93 0.02 . 1 . . . . 106 ILE HB . 15690 1 1170 . 3 2 33 33 ILE HD11 H 1 0.92 0.02 . 1 . . . . 106 ILE HD1 . 15690 1 1171 . 3 2 33 33 ILE HD12 H 1 0.92 0.02 . 1 . . . . 106 ILE HD1 . 15690 1 1172 . 3 2 33 33 ILE HD13 H 1 0.92 0.02 . 1 . . . . 106 ILE HD1 . 15690 1 1173 . 3 2 33 33 ILE HG12 H 1 1.82 0.02 . 2 . . . . 106 ILE HG12 . 15690 1 1174 . 3 2 33 33 ILE HG13 H 1 0.97 0.02 . 2 . . . . 106 ILE HG13 . 15690 1 1175 . 3 2 33 33 ILE HG21 H 1 0.82 0.02 . 1 . . . . 106 ILE HG2 . 15690 1 1176 . 3 2 33 33 ILE HG22 H 1 0.82 0.02 . 1 . . . . 106 ILE HG2 . 15690 1 1177 . 3 2 33 33 ILE HG23 H 1 0.82 0.02 . 1 . . . . 106 ILE HG2 . 15690 1 1178 . 3 2 33 33 ILE C C 13 174.0 0.3 . 1 . . . . 106 ILE C . 15690 1 1179 . 3 2 33 33 ILE CA C 13 61.7 0.3 . 1 . . . . 106 ILE CA . 15690 1 1180 . 3 2 33 33 ILE CB C 13 39.1 0.3 . 1 . . . . 106 ILE CB . 15690 1 1181 . 3 2 33 33 ILE CD1 C 13 14.4 0.3 . 1 . . . . 106 ILE CD1 . 15690 1 1182 . 3 2 33 33 ILE CG1 C 13 29.0 0.3 . 1 . . . . 106 ILE CG1 . 15690 1 1183 . 3 2 33 33 ILE CG2 C 13 17.6 0.3 . 1 . . . . 106 ILE CG2 . 15690 1 1184 . 3 2 33 33 ILE N N 15 125.2 0.3 . 1 . . . . 106 ILE N . 15690 1 1185 . 3 2 34 34 ASP H H 1 9.08 0.02 . 1 . . . . 107 ASP H . 15690 1 1186 . 3 2 34 34 ASP HA H 1 4.94 0.02 . 1 . . . . 107 ASP HA . 15690 1 1187 . 3 2 34 34 ASP HB2 H 1 2.95 0.02 . 2 . . . . 107 ASP HB2 . 15690 1 1188 . 3 2 34 34 ASP HB3 H 1 2.52 0.02 . 2 . . . . 107 ASP HB3 . 15690 1 1189 . 3 2 34 34 ASP C C 13 175.6 0.3 . 1 . . . . 107 ASP C . 15690 1 1190 . 3 2 34 34 ASP CA C 13 51.1 0.3 . 1 . . . . 107 ASP CA . 15690 1 1191 . 3 2 34 34 ASP CB C 13 40.7 0.3 . 1 . . . . 107 ASP CB . 15690 1 1192 . 3 2 34 34 ASP N N 15 130.3 0.3 . 1 . . . . 107 ASP N . 15690 1 1193 . 3 2 35 35 LEU H H 1 8.91 0.02 . 1 . . . . 108 LEU H . 15690 1 1194 . 3 2 35 35 LEU HA H 1 4.28 0.02 . 1 . . . . 108 LEU HA . 15690 1 1195 . 3 2 35 35 LEU HB2 H 1 1.96 0.02 . 2 . . . . 108 LEU HB2 . 15690 1 1196 . 3 2 35 35 LEU HB3 H 1 1.52 0.02 . 2 . . . . 108 LEU HB3 . 15690 1 1197 . 3 2 35 35 LEU HD11 H 1 0.76 0.02 . 1 . . . . 108 LEU HD1 . 15690 1 1198 . 3 2 35 35 LEU HD12 H 1 0.76 0.02 . 1 . . . . 108 LEU HD1 . 15690 1 1199 . 3 2 35 35 LEU HD13 H 1 0.76 0.02 . 1 . . . . 108 LEU HD1 . 15690 1 1200 . 3 2 35 35 LEU HD21 H 1 0.84 0.02 . 1 . . . . 108 LEU HD2 . 15690 1 1201 . 3 2 35 35 LEU HD22 H 1 0.84 0.02 . 1 . . . . 108 LEU HD2 . 15690 1 1202 . 3 2 35 35 LEU HD23 H 1 0.84 0.02 . 1 . . . . 108 LEU HD2 . 15690 1 1203 . 3 2 35 35 LEU HG H 1 1.50 0.02 . 1 . . . . 108 LEU HG . 15690 1 1204 . 3 2 35 35 LEU CA C 13 60.0 0.3 . 1 . . . . 108 LEU CA . 15690 1 1205 . 3 2 35 35 LEU CB C 13 39.8 0.3 . 1 . . . . 108 LEU CB . 15690 1 1206 . 3 2 35 35 LEU CD1 C 13 25.0 0.3 . 1 . . . . 108 LEU CD1 . 15690 1 1207 . 3 2 35 35 LEU CD2 C 13 25.4 0.3 . 1 . . . . 108 LEU CD2 . 15690 1 1208 . 3 2 35 35 LEU CG C 13 27.7 0.3 . 1 . . . . 108 LEU CG . 15690 1 1209 . 3 2 35 35 LEU N N 15 124.1 0.3 . 1 . . . . 108 LEU N . 15690 1 1210 . 3 2 36 36 PRO HA H 1 4.26 0.02 . 1 . . . . 109 PRO HA . 15690 1 1211 . 3 2 36 36 PRO HB2 H 1 2.35 0.02 . 2 . . . . 109 PRO HB2 . 15690 1 1212 . 3 2 36 36 PRO HB3 H 1 1.75 0.02 . 2 . . . . 109 PRO HB3 . 15690 1 1213 . 3 2 36 36 PRO HD2 H 1 4.25 0.02 . 2 . . . . 109 PRO HD2 . 15690 1 1214 . 3 2 36 36 PRO HD3 H 1 3.80 0.02 . 2 . . . . 109 PRO HD3 . 15690 1 1215 . 3 2 36 36 PRO HG2 H 1 2.15 0.02 . 2 . . . . 109 PRO HG2 . 15690 1 1216 . 3 2 36 36 PRO HG3 H 1 1.97 0.02 . 2 . . . . 109 PRO HG3 . 15690 1 1217 . 3 2 36 36 PRO C C 13 177.9 0.3 . 1 . . . . 109 PRO C . 15690 1 1218 . 3 2 36 36 PRO CA C 13 66.6 0.3 . 1 . . . . 109 PRO CA . 15690 1 1219 . 3 2 36 36 PRO CB C 13 31.6 0.3 . 1 . . . . 109 PRO CB . 15690 1 1220 . 3 2 36 36 PRO CD C 13 49.8 0.3 . 1 . . . . 109 PRO CD . 15690 1 1221 . 3 2 36 36 PRO CG C 13 28.4 0.3 . 1 . . . . 109 PRO CG . 15690 1 1222 . 3 2 37 37 ASN H H 1 7.23 0.02 . 1 . . . . 110 ASN H . 15690 1 1223 . 3 2 37 37 ASN HA H 1 4.91 0.02 . 1 . . . . 110 ASN HA . 15690 1 1224 . 3 2 37 37 ASN HB2 H 1 2.78 0.02 . 2 . . . . 110 ASN HB2 . 15690 1 1225 . 3 2 37 37 ASN HB3 H 1 2.35 0.02 . 2 . . . . 110 ASN HB3 . 15690 1 1226 . 3 2 37 37 ASN HD21 H 1 6.97 0.02 . 1 . . . . 110 ASN HD21 . 15690 1 1227 . 3 2 37 37 ASN HD22 H 1 9.18 0.02 . 1 . . . . 110 ASN HD22 . 15690 1 1228 . 3 2 37 37 ASN C C 13 172.8 0.3 . 1 . . . . 110 ASN C . 15690 1 1229 . 3 2 37 37 ASN CA C 13 52.4 0.3 . 1 . . . . 110 ASN CA . 15690 1 1230 . 3 2 37 37 ASN CB C 13 39.0 0.3 . 1 . . . . 110 ASN CB . 15690 1 1231 . 3 2 37 37 ASN N N 15 110.1 0.3 . 1 . . . . 110 ASN N . 15690 1 1232 . 3 2 37 37 ASN ND2 N 15 119.3 0.3 . 1 . . . . 110 ASN ND2 . 15690 1 1233 . 3 2 38 38 LYS H H 1 8.37 0.02 . 1 . . . . 111 LYS H . 15690 1 1234 . 3 2 38 38 LYS HA H 1 3.71 0.02 . 1 . . . . 111 LYS HA . 15690 1 1235 . 3 2 38 38 LYS HB2 H 1 2.44 0.02 . 2 . . . . 111 LYS HB2 . 15690 1 1236 . 3 2 38 38 LYS HB3 H 1 2.00 0.02 . 2 . . . . 111 LYS HB3 . 15690 1 1237 . 3 2 38 38 LYS HD2 H 1 1.70 0.02 . 2 . . . . 111 LYS HD2 . 15690 1 1238 . 3 2 38 38 LYS HD3 H 1 1.85 0.02 . 2 . . . . 111 LYS HD3 . 15690 1 1239 . 3 2 38 38 LYS HE2 H 1 3.17 0.02 . 1 . . . . 111 LYS HE2 . 15690 1 1240 . 3 2 38 38 LYS HG2 H 1 1.58 0.02 . 1 . . . . 111 LYS HG2 . 15690 1 1241 . 3 2 38 38 LYS C C 13 174.8 0.3 . 1 . . . . 111 LYS C . 15690 1 1242 . 3 2 38 38 LYS CA C 13 59.2 0.3 . 1 . . . . 111 LYS CA . 15690 1 1243 . 3 2 38 38 LYS CB C 13 28.7 0.3 . 1 . . . . 111 LYS CB . 15690 1 1244 . 3 2 38 38 LYS CD C 13 31.5 0.3 . 1 . . . . 111 LYS CD . 15690 1 1245 . 3 2 38 38 LYS CE C 13 43.6 0.3 . 1 . . . . 111 LYS CE . 15690 1 1246 . 3 2 38 38 LYS CG C 13 27.3 0.3 . 1 . . . . 111 LYS CG . 15690 1 1247 . 3 2 38 38 LYS N N 15 120.3 0.3 . 1 . . . . 111 LYS N . 15690 1 1248 . 3 2 39 39 LYS H H 1 8.19 0.02 . 1 . . . . 112 LYS H . 15690 1 1249 . 3 2 39 39 LYS HA H 1 5.61 0.02 . 1 . . . . 112 LYS HA . 15690 1 1250 . 3 2 39 39 LYS HB2 H 1 1.76 0.02 . 2 . . . . 112 LYS HB2 . 15690 1 1251 . 3 2 39 39 LYS HB3 H 1 1.57 0.02 . 2 . . . . 112 LYS HB3 . 15690 1 1252 . 3 2 39 39 LYS HD2 H 1 1.53 0.02 . 2 . . . . 112 LYS HD2 . 15690 1 1253 . 3 2 39 39 LYS HD3 H 1 1.65 0.02 . 2 . . . . 112 LYS HD3 . 15690 1 1254 . 3 2 39 39 LYS HE2 H 1 2.98 0.02 . 2 . . . . 112 LYS HE2 . 15690 1 1255 . 3 2 39 39 LYS HE3 H 1 2.93 0.02 . 2 . . . . 112 LYS HE3 . 15690 1 1256 . 3 2 39 39 LYS HG2 H 1 1.45 0.02 . 2 . . . . 112 LYS HG2 . 15690 1 1257 . 3 2 39 39 LYS HG3 H 1 1.26 0.02 . 2 . . . . 112 LYS HG3 . 15690 1 1258 . 3 2 39 39 LYS C C 13 174.7 0.3 . 1 . . . . 112 LYS C . 15690 1 1259 . 3 2 39 39 LYS CA C 13 55.0 0.3 . 1 . . . . 112 LYS CA . 15690 1 1260 . 3 2 39 39 LYS CB C 13 37.7 0.3 . 1 . . . . 112 LYS CB . 15690 1 1261 . 3 2 39 39 LYS CD C 13 29.5 0.3 . 1 . . . . 112 LYS CD . 15690 1 1262 . 3 2 39 39 LYS CE C 13 42.2 0.3 . 1 . . . . 112 LYS CE . 15690 1 1263 . 3 2 39 39 LYS CG C 13 25.3 0.3 . 1 . . . . 112 LYS CG . 15690 1 1264 . 3 2 39 39 LYS N N 15 116.8 0.3 . 1 . . . . 112 LYS N . 15690 1 1265 . 3 2 40 40 VAL H H 1 9.22 0.02 . 1 . . . . 113 VAL H . 15690 1 1266 . 3 2 40 40 VAL HA H 1 4.94 0.02 . 1 . . . . 113 VAL HA . 15690 1 1267 . 3 2 40 40 VAL HB H 1 1.87 0.02 . 1 . . . . 113 VAL HB . 15690 1 1268 . 3 2 40 40 VAL HG11 H 1 0.92 0.02 . 1 . . . . 113 VAL HG1 . 15690 1 1269 . 3 2 40 40 VAL HG12 H 1 0.92 0.02 . 1 . . . . 113 VAL HG1 . 15690 1 1270 . 3 2 40 40 VAL HG13 H 1 0.92 0.02 . 1 . . . . 113 VAL HG1 . 15690 1 1271 . 3 2 40 40 VAL HG21 H 1 0.86 0.02 . 1 . . . . 113 VAL HG2 . 15690 1 1272 . 3 2 40 40 VAL HG22 H 1 0.86 0.02 . 1 . . . . 113 VAL HG2 . 15690 1 1273 . 3 2 40 40 VAL HG23 H 1 0.86 0.02 . 1 . . . . 113 VAL HG2 . 15690 1 1274 . 3 2 40 40 VAL C C 13 173.9 0.3 . 1 . . . . 113 VAL C . 15690 1 1275 . 3 2 40 40 VAL CA C 13 61.0 0.3 . 1 . . . . 113 VAL CA . 15690 1 1276 . 3 2 40 40 VAL CB C 13 35.8 0.3 . 1 . . . . 113 VAL CB . 15690 1 1277 . 3 2 40 40 VAL CG1 C 13 22.8 0.3 . 1 . . . . 113 VAL CG1 . 15690 1 1278 . 3 2 40 40 VAL CG2 C 13 21.0 0.3 . 1 . . . . 113 VAL CG2 . 15690 1 1279 . 3 2 40 40 VAL N N 15 121.2 0.3 . 1 . . . . 113 VAL N . 15690 1 1280 . 3 2 41 41 CYS H H 1 8.79 0.02 . 1 . . . . 114 CYS H . 15690 1 1281 . 3 2 41 41 CYS HA H 1 5.57 0.02 . 1 . . . . 114 CYS HA . 15690 1 1282 . 3 2 41 41 CYS HB2 H 1 3.03 0.02 . 2 . . . . 114 CYS HB2 . 15690 1 1283 . 3 2 41 41 CYS HB3 H 1 3.07 0.02 . 2 . . . . 114 CYS HB3 . 15690 1 1284 . 3 2 41 41 CYS C C 13 174.7 0.3 . 1 . . . . 114 CYS C . 15690 1 1285 . 3 2 41 41 CYS CA C 13 57.0 0.3 . 1 . . . . 114 CYS CA . 15690 1 1286 . 3 2 41 41 CYS CB C 13 29.0 0.3 . 1 . . . . 114 CYS CB . 15690 1 1287 . 3 2 41 41 CYS N N 15 127.1 0.3 . 1 . . . . 114 CYS N . 15690 1 1288 . 3 2 42 42 ILE H H 1 9.65 0.02 . 1 . . . . 115 ILE H . 15690 1 1289 . 3 2 42 42 ILE HA H 1 4.94 0.02 . 1 . . . . 115 ILE HA . 15690 1 1290 . 3 2 42 42 ILE HB H 1 2.04 0.02 . 1 . . . . 115 ILE HB . 15690 1 1291 . 3 2 42 42 ILE HD11 H 1 0.82 0.02 . 1 . . . . 115 ILE HD1 . 15690 1 1292 . 3 2 42 42 ILE HD12 H 1 0.82 0.02 . 1 . . . . 115 ILE HD1 . 15690 1 1293 . 3 2 42 42 ILE HD13 H 1 0.82 0.02 . 1 . . . . 115 ILE HD1 . 15690 1 1294 . 3 2 42 42 ILE HG12 H 1 0.93 0.02 . 2 . . . . 115 ILE HG12 . 15690 1 1295 . 3 2 42 42 ILE HG13 H 1 1.82 0.02 . 2 . . . . 115 ILE HG13 . 15690 1 1296 . 3 2 42 42 ILE HG21 H 1 0.96 0.02 . 1 . . . . 115 ILE HG2 . 15690 1 1297 . 3 2 42 42 ILE HG22 H 1 0.96 0.02 . 1 . . . . 115 ILE HG2 . 15690 1 1298 . 3 2 42 42 ILE HG23 H 1 0.96 0.02 . 1 . . . . 115 ILE HG2 . 15690 1 1299 . 3 2 42 42 ILE C C 13 174.1 0.3 . 1 . . . . 115 ILE C . 15690 1 1300 . 3 2 42 42 ILE CA C 13 61.1 0.3 . 1 . . . . 115 ILE CA . 15690 1 1301 . 3 2 42 42 ILE CB C 13 42.5 0.3 . 1 . . . . 115 ILE CB . 15690 1 1302 . 3 2 42 42 ILE CD1 C 13 17.8 0.3 . 1 . . . . 115 ILE CD1 . 15690 1 1303 . 3 2 42 42 ILE CG1 C 13 28.4 0.3 . 1 . . . . 115 ILE CG1 . 15690 1 1304 . 3 2 42 42 ILE CG2 C 13 19.3 0.3 . 1 . . . . 115 ILE CG2 . 15690 1 1305 . 3 2 42 42 ILE N N 15 126.1 0.3 . 1 . . . . 115 ILE N . 15690 1 1306 . 3 2 43 43 GLU H H 1 9.65 0.02 . 1 . . . . 116 GLU H . 15690 1 1307 . 3 2 43 43 GLU HA H 1 5.32 0.02 . 1 . . . . 116 GLU HA . 15690 1 1308 . 3 2 43 43 GLU HB2 H 1 2.13 0.02 . 2 . . . . 116 GLU HB2 . 15690 1 1309 . 3 2 43 43 GLU HB3 H 1 1.88 0.02 . 2 . . . . 116 GLU HB3 . 15690 1 1310 . 3 2 43 43 GLU HG2 H 1 2.12 0.02 . 1 . . . . 116 GLU HG2 . 15690 1 1311 . 3 2 43 43 GLU C C 13 175.8 0.3 . 1 . . . . 116 GLU C . 15690 1 1312 . 3 2 43 43 GLU CA C 13 55.2 0.3 . 1 . . . . 116 GLU CA . 15690 1 1313 . 3 2 43 43 GLU CB C 13 31.9 0.3 . 1 . . . . 116 GLU CB . 15690 1 1314 . 3 2 43 43 GLU CG C 13 36.2 0.3 . 1 . . . . 116 GLU CG . 15690 1 1315 . 3 2 43 43 GLU N N 15 130.7 0.3 . 1 . . . . 116 GLU N . 15690 1 1316 . 3 2 44 44 SER H H 1 8.75 0.02 . 1 . . . . 117 SER H . 15690 1 1317 . 3 2 44 44 SER HB2 H 1 4.38 0.02 . 2 . . . . 117 SER HB2 . 15690 1 1318 . 3 2 44 44 SER HB3 H 1 3.94 0.02 . 2 . . . . 117 SER HB3 . 15690 1 1319 . 3 2 44 44 SER C C 13 177.9 0.3 . 1 . . . . 117 SER C . 15690 1 1320 . 3 2 44 44 SER CB C 13 65.9 0.3 . 1 . . . . 117 SER CB . 15690 1 1321 . 3 2 44 44 SER N N 15 121.3 0.3 . 1 . . . . 117 SER N . 15690 1 1322 . 3 2 45 45 GLU H H 1 9.05 0.02 . 1 . . . . 118 GLU H . 15690 1 1323 . 3 2 45 45 GLU HA H 1 4.57 0.02 . 1 . . . . 118 GLU HA . 15690 1 1324 . 3 2 45 45 GLU HB2 H 1 1.65 0.02 . 1 . . . . 118 GLU HB2 . 15690 1 1325 . 3 2 45 45 GLU HG2 H 1 2.30 0.02 . 2 . . . . 118 GLU HG2 . 15690 1 1326 . 3 2 45 45 GLU HG3 H 1 2.19 0.02 . 2 . . . . 118 GLU HG3 . 15690 1 1327 . 3 2 45 45 GLU C C 13 177.5 0.3 . 1 . . . . 118 GLU C . 15690 1 1328 . 3 2 45 45 GLU CA C 13 55.9 0.3 . 1 . . . . 118 GLU CA . 15690 1 1329 . 3 2 45 45 GLU CB C 13 29.6 0.3 . 1 . . . . 118 GLU CB . 15690 1 1330 . 3 2 45 45 GLU CG C 13 36.2 0.3 . 1 . . . . 118 GLU CG . 15690 1 1331 . 3 2 45 45 GLU N N 15 120.8 0.3 . 1 . . . . 118 GLU N . 15690 1 1332 . 3 2 46 46 HIS H H 1 8.43 0.02 . 1 . . . . 119 HIS H . 15690 1 1333 . 3 2 46 46 HIS HA H 1 4.63 0.02 . 1 . . . . 119 HIS HA . 15690 1 1334 . 3 2 46 46 HIS HB2 H 1 3.03 0.02 . 2 . . . . 119 HIS HB2 . 15690 1 1335 . 3 2 46 46 HIS HB3 H 1 2.87 0.02 . 2 . . . . 119 HIS HB3 . 15690 1 1336 . 3 2 46 46 HIS HD2 H 1 6.85 0.02 . 1 . . . . 119 HIS HD2 . 15690 1 1337 . 3 2 46 46 HIS HE1 H 1 7.93 0.02 . 1 . . . . 119 HIS HE1 . 15690 1 1338 . 3 2 46 46 HIS C C 13 175.6 0.3 . 1 . . . . 119 HIS C . 15690 1 1339 . 3 2 46 46 HIS CA C 13 57.3 0.3 . 1 . . . . 119 HIS CA . 15690 1 1340 . 3 2 46 46 HIS CB C 13 32.3 0.3 . 1 . . . . 119 HIS CB . 15690 1 1341 . 3 2 46 46 HIS N N 15 120.0 0.3 . 1 . . . . 119 HIS N . 15690 1 1342 . 3 2 47 47 SER H H 1 9.05 0.02 . 1 . . . . 120 SER H . 15690 1 1343 . 3 2 47 47 SER HA H 1 4.36 0.02 . 1 . . . . 120 SER HA . 15690 1 1344 . 3 2 47 47 SER HB2 H 1 4.15 0.02 . 2 . . . . 120 SER HB2 . 15690 1 1345 . 3 2 47 47 SER HB3 H 1 4.37 0.02 . 2 . . . . 120 SER HB3 . 15690 1 1346 . 3 2 47 47 SER C C 13 174.6 0.3 . 1 . . . . 120 SER C . 15690 1 1347 . 3 2 47 47 SER CA C 13 57.8 0.3 . 1 . . . . 120 SER CA . 15690 1 1348 . 3 2 47 47 SER CB C 13 64.8 0.3 . 1 . . . . 120 SER CB . 15690 1 1349 . 3 2 47 47 SER N N 15 116.2 0.3 . 1 . . . . 120 SER N . 15690 1 1350 . 3 2 48 48 MET H H 1 8.91 0.02 . 1 . . . . 121 MET H . 15690 1 1351 . 3 2 48 48 MET HA H 1 3.32 0.02 . 1 . . . . 121 MET HA . 15690 1 1352 . 3 2 48 48 MET HB2 H 1 1.47 0.02 . 1 . . . . 121 MET HB2 . 15690 1 1353 . 3 2 48 48 MET HG2 H 1 1.67 0.02 . 2 . . . . 121 MET HG2 . 15690 1 1354 . 3 2 48 48 MET HG3 H 1 1.36 0.02 . 2 . . . . 121 MET HG3 . 15690 1 1355 . 3 2 48 48 MET C C 13 177.7 0.3 . 1 . . . . 121 MET C . 15690 1 1356 . 3 2 48 48 MET CA C 13 60.5 0.3 . 1 . . . . 121 MET CA . 15690 1 1357 . 3 2 48 48 MET CB C 13 30.9 0.3 . 1 . . . . 121 MET CB . 15690 1 1358 . 3 2 48 48 MET CG C 13 31.2 0.3 . 1 . . . . 121 MET CG . 15690 1 1359 . 3 2 48 48 MET N N 15 121.5 0.3 . 1 . . . . 121 MET N . 15690 1 1360 . 3 2 49 49 ASP H H 1 8.32 0.02 . 1 . . . . 122 ASP H . 15690 1 1361 . 3 2 49 49 ASP HA H 1 4.18 0.02 . 1 . . . . 122 ASP HA . 15690 1 1362 . 3 2 49 49 ASP HB2 H 1 2.51 0.02 . 1 . . . . 122 ASP HB2 . 15690 1 1363 . 3 2 49 49 ASP C C 13 179.2 0.3 . 1 . . . . 122 ASP C . 15690 1 1364 . 3 2 49 49 ASP CA C 13 57.7 0.3 . 1 . . . . 122 ASP CA . 15690 1 1365 . 3 2 49 49 ASP CB C 13 40.4 0.3 . 1 . . . . 122 ASP CB . 15690 1 1366 . 3 2 49 49 ASP N N 15 116.2 0.3 . 1 . . . . 122 ASP N . 15690 1 1367 . 3 2 50 50 THR H H 1 8.05 0.02 . 1 . . . . 123 THR H . 15690 1 1368 . 3 2 50 50 THR HA H 1 3.87 0.02 . 1 . . . . 123 THR HA . 15690 1 1369 . 3 2 50 50 THR HB H 1 4.26 0.02 . 1 . . . . 123 THR HB . 15690 1 1370 . 3 2 50 50 THR HG21 H 1 0.94 0.02 . 1 . . . . 123 THR HG2 . 15690 1 1371 . 3 2 50 50 THR HG22 H 1 0.94 0.02 . 1 . . . . 123 THR HG2 . 15690 1 1372 . 3 2 50 50 THR HG23 H 1 0.94 0.02 . 1 . . . . 123 THR HG2 . 15690 1 1373 . 3 2 50 50 THR C C 13 177.3 0.3 . 1 . . . . 123 THR C . 15690 1 1374 . 3 2 50 50 THR CA C 13 66.4 0.3 . 1 . . . . 123 THR CA . 15690 1 1375 . 3 2 50 50 THR CB C 13 68.6 0.3 . 1 . . . . 123 THR CB . 15690 1 1376 . 3 2 50 50 THR CG2 C 13 21.8 0.3 . 1 . . . . 123 THR CG2 . 15690 1 1377 . 3 2 50 50 THR N N 15 120.2 0.3 . 1 . . . . 123 THR N . 15690 1 1378 . 3 2 51 51 LEU H H 1 7.95 0.02 . 1 . . . . 124 LEU H . 15690 1 1379 . 3 2 51 51 LEU HA H 1 3.49 0.02 . 1 . . . . 124 LEU HA . 15690 1 1380 . 3 2 51 51 LEU HB2 H 1 2.02 0.02 . 2 . . . . 124 LEU HB2 . 15690 1 1381 . 3 2 51 51 LEU HB3 H 1 0.83 0.02 . 2 . . . . 124 LEU HB3 . 15690 1 1382 . 3 2 51 51 LEU HD11 H 1 0.89 0.02 . 1 . . . . 124 LEU HD1 . 15690 1 1383 . 3 2 51 51 LEU HD12 H 1 0.89 0.02 . 1 . . . . 124 LEU HD1 . 15690 1 1384 . 3 2 51 51 LEU HD13 H 1 0.89 0.02 . 1 . . . . 124 LEU HD1 . 15690 1 1385 . 3 2 51 51 LEU HD21 H 1 0.65 0.02 . 1 . . . . 124 LEU HD2 . 15690 1 1386 . 3 2 51 51 LEU HD22 H 1 0.65 0.02 . 1 . . . . 124 LEU HD2 . 15690 1 1387 . 3 2 51 51 LEU HD23 H 1 0.65 0.02 . 1 . . . . 124 LEU HD2 . 15690 1 1388 . 3 2 51 51 LEU HG H 1 1.72 0.02 . 1 . . . . 124 LEU HG . 15690 1 1389 . 3 2 51 51 LEU C C 13 177.4 0.3 . 1 . . . . 124 LEU C . 15690 1 1390 . 3 2 51 51 LEU CA C 13 58.3 0.3 . 1 . . . . 124 LEU CA . 15690 1 1391 . 3 2 51 51 LEU CB C 13 42.6 0.3 . 1 . . . . 124 LEU CB . 15690 1 1392 . 3 2 51 51 LEU CD1 C 13 26.2 0.3 . 1 . . . . 124 LEU CD1 . 15690 1 1393 . 3 2 51 51 LEU CD2 C 13 22.4 0.3 . 1 . . . . 124 LEU CD2 . 15690 1 1394 . 3 2 51 51 LEU CG C 13 26.2 0.3 . 1 . . . . 124 LEU CG . 15690 1 1395 . 3 2 51 51 LEU N N 15 124.4 0.3 . 1 . . . . 124 LEU N . 15690 1 1396 . 3 2 52 52 LEU H H 1 8.99 0.02 . 1 . . . . 125 LEU H . 15690 1 1397 . 3 2 52 52 LEU HA H 1 3.53 0.02 . 1 . . . . 125 LEU HA . 15690 1 1398 . 3 2 52 52 LEU HB2 H 1 1.90 0.02 . 2 . . . . 125 LEU HB2 . 15690 1 1399 . 3 2 52 52 LEU HB3 H 1 1.71 0.02 . 2 . . . . 125 LEU HB3 . 15690 1 1400 . 3 2 52 52 LEU HD11 H 1 0.96 0.02 . 1 . . . . 125 LEU HD1 . 15690 1 1401 . 3 2 52 52 LEU HD12 H 1 0.96 0.02 . 1 . . . . 125 LEU HD1 . 15690 1 1402 . 3 2 52 52 LEU HD13 H 1 0.96 0.02 . 1 . . . . 125 LEU HD1 . 15690 1 1403 . 3 2 52 52 LEU HD21 H 1 0.95 0.02 . 1 . . . . 125 LEU HD2 . 15690 1 1404 . 3 2 52 52 LEU HD22 H 1 0.95 0.02 . 1 . . . . 125 LEU HD2 . 15690 1 1405 . 3 2 52 52 LEU HD23 H 1 0.95 0.02 . 1 . . . . 125 LEU HD2 . 15690 1 1406 . 3 2 52 52 LEU HG H 1 1.54 0.02 . 1 . . . . 125 LEU HG . 15690 1 1407 . 3 2 52 52 LEU C C 13 177.9 0.3 . 1 . . . . 125 LEU C . 15690 1 1408 . 3 2 52 52 LEU CA C 13 58.5 0.3 . 1 . . . . 125 LEU CA . 15690 1 1409 . 3 2 52 52 LEU CB C 13 42.8 0.3 . 1 . . . . 125 LEU CB . 15690 1 1410 . 3 2 52 52 LEU CD1 C 13 24.2 0.3 . 1 . . . . 125 LEU CD1 . 15690 1 1411 . 3 2 52 52 LEU CD2 C 13 25.5 0.3 . 1 . . . . 125 LEU CD2 . 15690 1 1412 . 3 2 52 52 LEU N N 15 120.9 0.3 . 1 . . . . 125 LEU N . 15690 1 1413 . 3 2 53 53 ALA H H 1 7.85 0.02 . 1 . . . . 126 ALA H . 15690 1 1414 . 3 2 53 53 ALA HA H 1 3.88 0.02 . 1 . . . . 126 ALA HA . 15690 1 1415 . 3 2 53 53 ALA HB1 H 1 1.41 0.02 . 1 . . . . 126 ALA HB . 15690 1 1416 . 3 2 53 53 ALA HB2 H 1 1.41 0.02 . 1 . . . . 126 ALA HB . 15690 1 1417 . 3 2 53 53 ALA HB3 H 1 1.41 0.02 . 1 . . . . 126 ALA HB . 15690 1 1418 . 3 2 53 53 ALA C C 13 180.6 0.3 . 1 . . . . 126 ALA C . 15690 1 1419 . 3 2 53 53 ALA CA C 13 55.0 0.3 . 1 . . . . 126 ALA CA . 15690 1 1420 . 3 2 53 53 ALA CB C 13 18.2 0.3 . 1 . . . . 126 ALA CB . 15690 1 1421 . 3 2 53 53 ALA N N 15 118.7 0.3 . 1 . . . . 126 ALA N . 15690 1 1422 . 3 2 54 54 THR H H 1 7.66 0.02 . 1 . . . . 127 THR H . 15690 1 1423 . 3 2 54 54 THR HA H 1 3.61 0.02 . 1 . . . . 127 THR HA . 15690 1 1424 . 3 2 54 54 THR HB H 1 4.05 0.02 . 1 . . . . 127 THR HB . 15690 1 1425 . 3 2 54 54 THR HG21 H 1 0.94 0.02 . 1 . . . . 127 THR HG2 . 15690 1 1426 . 3 2 54 54 THR HG22 H 1 0.94 0.02 . 1 . . . . 127 THR HG2 . 15690 1 1427 . 3 2 54 54 THR HG23 H 1 0.94 0.02 . 1 . . . . 127 THR HG2 . 15690 1 1428 . 3 2 54 54 THR C C 13 175.5 0.3 . 1 . . . . 127 THR C . 15690 1 1429 . 3 2 54 54 THR CA C 13 67.4 0.3 . 1 . . . . 127 THR CA . 15690 1 1430 . 3 2 54 54 THR CB C 13 67.9 0.3 . 1 . . . . 127 THR CB . 15690 1 1431 . 3 2 54 54 THR CG2 C 13 21.5 0.3 . 1 . . . . 127 THR CG2 . 15690 1 1432 . 3 2 54 54 THR N N 15 114.4 0.3 . 1 . . . . 127 THR N . 15690 1 1433 . 3 2 55 55 LEU H H 1 8.15 0.02 . 1 . . . . 128 LEU H . 15690 1 1434 . 3 2 55 55 LEU HA H 1 3.77 0.02 . 1 . . . . 128 LEU HA . 15690 1 1435 . 3 2 55 55 LEU HB2 H 1 1.68 0.02 . 2 . . . . 128 LEU HB2 . 15690 1 1436 . 3 2 55 55 LEU HB3 H 1 0.96 0.02 . 2 . . . . 128 LEU HB3 . 15690 1 1437 . 3 2 55 55 LEU HD11 H 1 -0.19 0.02 . 1 . . . . 128 LEU HD1 . 15690 1 1438 . 3 2 55 55 LEU HD12 H 1 -0.19 0.02 . 1 . . . . 128 LEU HD1 . 15690 1 1439 . 3 2 55 55 LEU HD13 H 1 -0.19 0.02 . 1 . . . . 128 LEU HD1 . 15690 1 1440 . 3 2 55 55 LEU HD21 H 1 0.51 0.02 . 1 . . . . 128 LEU HD2 . 15690 1 1441 . 3 2 55 55 LEU HD22 H 1 0.51 0.02 . 1 . . . . 128 LEU HD2 . 15690 1 1442 . 3 2 55 55 LEU HD23 H 1 0.51 0.02 . 1 . . . . 128 LEU HD2 . 15690 1 1443 . 3 2 55 55 LEU HG H 1 1.27 0.02 . 1 . . . . 128 LEU HG . 15690 1 1444 . 3 2 55 55 LEU C C 13 179.5 0.3 . 1 . . . . 128 LEU C . 15690 1 1445 . 3 2 55 55 LEU CA C 13 57.9 0.3 . 1 . . . . 128 LEU CA . 15690 1 1446 . 3 2 55 55 LEU CB C 13 41.8 0.3 . 1 . . . . 128 LEU CB . 15690 1 1447 . 3 2 55 55 LEU CD1 C 13 25.1 0.3 . 1 . . . . 128 LEU CD1 . 15690 1 1448 . 3 2 55 55 LEU CD2 C 13 23.8 0.3 . 1 . . . . 128 LEU CD2 . 15690 1 1449 . 3 2 55 55 LEU CG C 13 26.8 0.3 . 1 . . . . 128 LEU CG . 15690 1 1450 . 3 2 55 55 LEU N N 15 119.6 0.3 . 1 . . . . 128 LEU N . 15690 1 1451 . 3 2 56 56 LYS H H 1 8.32 0.02 . 1 . . . . 129 LYS H . 15690 1 1452 . 3 2 56 56 LYS HA H 1 3.90 0.02 . 1 . . . . 129 LYS HA . 15690 1 1453 . 3 2 56 56 LYS HB2 H 1 1.93 0.02 . 2 . . . . 129 LYS HB2 . 15690 1 1454 . 3 2 56 56 LYS HB3 H 1 1.81 0.02 . 2 . . . . 129 LYS HB3 . 15690 1 1455 . 3 2 56 56 LYS HD2 H 1 1.65 0.02 . 1 . . . . 129 LYS HD2 . 15690 1 1456 . 3 2 56 56 LYS HE2 H 1 2.94 0.02 . 1 . . . . 129 LYS HE2 . 15690 1 1457 . 3 2 56 56 LYS HG2 H 1 1.65 0.02 . 2 . . . . 129 LYS HG2 . 15690 1 1458 . 3 2 56 56 LYS HG3 H 1 1.42 0.02 . 2 . . . . 129 LYS HG3 . 15690 1 1459 . 3 2 56 56 LYS C C 13 179.3 0.3 . 1 . . . . 129 LYS C . 15690 1 1460 . 3 2 56 56 LYS CA C 13 59.8 0.3 . 1 . . . . 129 LYS CA . 15690 1 1461 . 3 2 56 56 LYS CB C 13 32.4 0.3 . 1 . . . . 129 LYS CB . 15690 1 1462 . 3 2 56 56 LYS CD C 13 29.6 0.3 . 1 . . . . 129 LYS CD . 15690 1 1463 . 3 2 56 56 LYS CE C 13 42.1 0.3 . 1 . . . . 129 LYS CE . 15690 1 1464 . 3 2 56 56 LYS CG C 13 27.1 0.3 . 1 . . . . 129 LYS CG . 15690 1 1465 . 3 2 56 56 LYS N N 15 118.7 0.3 . 1 . . . . 129 LYS N . 15690 1 1466 . 3 2 57 57 LYS H H 1 7.68 0.02 . 1 . . . . 130 LYS H . 15690 1 1467 . 3 2 57 57 LYS HA H 1 4.14 0.02 . 1 . . . . 130 LYS HA . 15690 1 1468 . 3 2 57 57 LYS HB2 H 1 2.18 0.02 . 2 . . . . 130 LYS HB2 . 15690 1 1469 . 3 2 57 57 LYS HB3 H 1 1.96 0.02 . 2 . . . . 130 LYS HB3 . 15690 1 1470 . 3 2 57 57 LYS HD2 H 1 1.66 0.02 . 1 . . . . 130 LYS HD2 . 15690 1 1471 . 3 2 57 57 LYS HE2 H 1 2.93 0.02 . 1 . . . . 130 LYS HE2 . 15690 1 1472 . 3 2 57 57 LYS HG2 H 1 1.56 0.02 . 2 . . . . 130 LYS HG2 . 15690 1 1473 . 3 2 57 57 LYS HG3 H 1 1.41 0.02 . 2 . . . . 130 LYS HG3 . 15690 1 1474 . 3 2 57 57 LYS CA C 13 58.5 0.3 . 1 . . . . 130 LYS CA . 15690 1 1475 . 3 2 57 57 LYS CB C 13 32.1 0.3 . 1 . . . . 130 LYS CB . 15690 1 1476 . 3 2 57 57 LYS CD C 13 29.5 0.3 . 1 . . . . 130 LYS CD . 15690 1 1477 . 3 2 57 57 LYS CE C 13 41.7 0.3 . 1 . . . . 130 LYS CE . 15690 1 1478 . 3 2 57 57 LYS CG C 13 25.3 0.3 . 1 . . . . 130 LYS CG . 15690 1 1479 . 3 2 57 57 LYS N N 15 121.2 0.3 . 1 . . . . 130 LYS N . 15690 1 1480 . 3 2 58 58 THR H H 1 7.41 0.02 . 1 . . . . 131 THR H . 15690 1 1481 . 3 2 58 58 THR HA H 1 4.15 0.02 . 1 . . . . 131 THR HA . 15690 1 1482 . 3 2 58 58 THR HB H 1 4.16 0.02 . 1 . . . . 131 THR HB . 15690 1 1483 . 3 2 58 58 THR HG21 H 1 1.24 0.02 . 1 . . . . 131 THR HG2 . 15690 1 1484 . 3 2 58 58 THR HG22 H 1 1.24 0.02 . 1 . . . . 131 THR HG2 . 15690 1 1485 . 3 2 58 58 THR HG23 H 1 1.24 0.02 . 1 . . . . 131 THR HG2 . 15690 1 1486 . 3 2 58 58 THR C C 13 176.2 0.3 . 1 . . . . 131 THR C . 15690 1 1487 . 3 2 58 58 THR CA C 13 63.4 0.3 . 1 . . . . 131 THR CA . 15690 1 1488 . 3 2 58 58 THR CB C 13 70.7 0.3 . 1 . . . . 131 THR CB . 15690 1 1489 . 3 2 58 58 THR CG2 C 13 21.5 0.3 . 1 . . . . 131 THR CG2 . 15690 1 1490 . 3 2 58 58 THR N N 15 106.5 0.3 . 1 . . . . 131 THR N . 15690 1 1491 . 3 2 59 59 GLY H H 1 7.78 0.02 . 1 . . . . 132 GLY H . 15690 1 1492 . 3 2 59 59 GLY HA2 H 1 3.70 0.02 . 2 . . . . 132 GLY HA2 . 15690 1 1493 . 3 2 59 59 GLY HA3 H 1 4.00 0.02 . 2 . . . . 132 GLY HA3 . 15690 1 1494 . 3 2 59 59 GLY C C 13 173.6 0.3 . 1 . . . . 132 GLY C . 15690 1 1495 . 3 2 59 59 GLY CA C 13 45.5 0.3 . 1 . . . . 132 GLY CA . 15690 1 1496 . 3 2 59 59 GLY N N 15 106.0 0.3 . 1 . . . . 132 GLY N . 15690 1 1497 . 3 2 60 60 LYS H H 1 7.41 0.02 . 1 . . . . 133 LYS H . 15690 1 1498 . 3 2 60 60 LYS HA H 1 4.57 0.02 . 1 . . . . 133 LYS HA . 15690 1 1499 . 3 2 60 60 LYS HB2 H 1 1.89 0.02 . 2 . . . . 133 LYS HB2 . 15690 1 1500 . 3 2 60 60 LYS HB3 H 1 1.81 0.02 . 2 . . . . 133 LYS HB3 . 15690 1 1501 . 3 2 60 60 LYS HD2 H 1 1.65 0.02 . 2 . . . . 133 LYS HD2 . 15690 1 1502 . 3 2 60 60 LYS HD3 H 1 1.53 0.02 . 2 . . . . 133 LYS HD3 . 15690 1 1503 . 3 2 60 60 LYS HE2 H 1 3.02 0.02 . 2 . . . . 133 LYS HE2 . 15690 1 1504 . 3 2 60 60 LYS HE3 H 1 2.93 0.02 . 2 . . . . 133 LYS HE3 . 15690 1 1505 . 3 2 60 60 LYS HG2 H 1 1.48 0.02 . 2 . . . . 133 LYS HG2 . 15690 1 1506 . 3 2 60 60 LYS HG3 H 1 1.41 0.02 . 2 . . . . 133 LYS HG3 . 15690 1 1507 . 3 2 60 60 LYS C C 13 176.8 0.3 . 1 . . . . 133 LYS C . 15690 1 1508 . 3 2 60 60 LYS CA C 13 53.3 0.3 . 1 . . . . 133 LYS CA . 15690 1 1509 . 3 2 60 60 LYS CB C 13 32.6 0.3 . 1 . . . . 133 LYS CB . 15690 1 1510 . 3 2 60 60 LYS CD C 13 29.4 0.3 . 1 . . . . 133 LYS CD . 15690 1 1511 . 3 2 60 60 LYS CE C 13 42.1 0.3 . 1 . . . . 133 LYS CE . 15690 1 1512 . 3 2 60 60 LYS CG C 13 25.1 0.3 . 1 . . . . 133 LYS CG . 15690 1 1513 . 3 2 60 60 LYS N N 15 118.4 0.3 . 1 . . . . 133 LYS N . 15690 1 1514 . 3 2 61 61 THR H H 1 8.88 0.02 . 1 . . . . 134 THR H . 15690 1 1515 . 3 2 61 61 THR HA H 1 4.21 0.02 . 1 . . . . 134 THR HA . 15690 1 1516 . 3 2 61 61 THR HB H 1 4.01 0.02 . 1 . . . . 134 THR HB . 15690 1 1517 . 3 2 61 61 THR HG21 H 1 1.22 0.02 . 1 . . . . 134 THR HG2 . 15690 1 1518 . 3 2 61 61 THR HG22 H 1 1.22 0.02 . 1 . . . . 134 THR HG2 . 15690 1 1519 . 3 2 61 61 THR HG23 H 1 1.22 0.02 . 1 . . . . 134 THR HG2 . 15690 1 1520 . 3 2 61 61 THR C C 13 174.6 0.3 . 1 . . . . 134 THR C . 15690 1 1521 . 3 2 61 61 THR CA C 13 64.7 0.3 . 1 . . . . 134 THR CA . 15690 1 1522 . 3 2 61 61 THR CB C 13 68.7 0.3 . 1 . . . . 134 THR CB . 15690 1 1523 . 3 2 61 61 THR CG2 C 13 22.1 0.3 . 1 . . . . 134 THR CG2 . 15690 1 1524 . 3 2 61 61 THR N N 15 118.2 0.3 . 1 . . . . 134 THR N . 15690 1 1525 . 3 2 62 62 VAL H H 1 8.57 0.02 . 1 . . . . 135 VAL H . 15690 1 1526 . 3 2 62 62 VAL HA H 1 5.29 0.02 . 1 . . . . 135 VAL HA . 15690 1 1527 . 3 2 62 62 VAL HB H 1 1.76 0.02 . 1 . . . . 135 VAL HB . 15690 1 1528 . 3 2 62 62 VAL HG11 H 1 0.96 0.02 . 1 . . . . 135 VAL HG1 . 15690 1 1529 . 3 2 62 62 VAL HG12 H 1 0.96 0.02 . 1 . . . . 135 VAL HG1 . 15690 1 1530 . 3 2 62 62 VAL HG13 H 1 0.96 0.02 . 1 . . . . 135 VAL HG1 . 15690 1 1531 . 3 2 62 62 VAL HG21 H 1 0.80 0.02 . 1 . . . . 135 VAL HG2 . 15690 1 1532 . 3 2 62 62 VAL HG22 H 1 0.80 0.02 . 1 . . . . 135 VAL HG2 . 15690 1 1533 . 3 2 62 62 VAL HG23 H 1 0.80 0.02 . 1 . . . . 135 VAL HG2 . 15690 1 1534 . 3 2 62 62 VAL C C 13 175.2 0.3 . 1 . . . . 135 VAL C . 15690 1 1535 . 3 2 62 62 VAL CA C 13 60.3 0.3 . 1 . . . . 135 VAL CA . 15690 1 1536 . 3 2 62 62 VAL CB C 13 35.8 0.3 . 1 . . . . 135 VAL CB . 15690 1 1537 . 3 2 62 62 VAL CG1 C 13 22.9 0.3 . 1 . . . . 135 VAL CG1 . 15690 1 1538 . 3 2 62 62 VAL CG2 C 13 21.2 0.3 . 1 . . . . 135 VAL CG2 . 15690 1 1539 . 3 2 62 62 VAL N N 15 128.9 0.3 . 1 . . . . 135 VAL N . 15690 1 1540 . 3 2 63 63 SER H H 1 9.05 0.02 . 1 . . . . 136 SER H . 15690 1 1541 . 3 2 63 63 SER HA H 1 4.86 0.02 . 1 . . . . 136 SER HA . 15690 1 1542 . 3 2 63 63 SER HB2 H 1 3.86 0.02 . 2 . . . . 136 SER HB2 . 15690 1 1543 . 3 2 63 63 SER HB3 H 1 3.78 0.02 . 2 . . . . 136 SER HB3 . 15690 1 1544 . 3 2 63 63 SER C C 13 173.1 0.3 . 1 . . . . 136 SER C . 15690 1 1545 . 3 2 63 63 SER CA C 13 57.8 0.3 . 1 . . . . 136 SER CA . 15690 1 1546 . 3 2 63 63 SER CB C 13 65.3 0.3 . 1 . . . . 136 SER CB . 15690 1 1547 . 3 2 63 63 SER N N 15 119.4 0.3 . 1 . . . . 136 SER N . 15690 1 1548 . 3 2 64 64 TYR H H 1 9.40 0.02 . 1 . . . . 137 TYR H . 15690 1 1549 . 3 2 64 64 TYR HA H 1 4.55 0.02 . 1 . . . . 137 TYR HA . 15690 1 1550 . 3 2 64 64 TYR HB2 H 1 2.95 0.02 . 1 . . . . 137 TYR HB2 . 15690 1 1551 . 3 2 64 64 TYR HD1 H 1 6.43 0.02 . 1 . . . . 137 TYR HD1 . 15690 1 1552 . 3 2 64 64 TYR HE1 H 1 6.70 0.02 . 1 . . . . 137 TYR HE1 . 15690 1 1553 . 3 2 64 64 TYR C C 13 175.4 0.3 . 1 . . . . 137 TYR C . 15690 1 1554 . 3 2 64 64 TYR CA C 13 57.8 0.3 . 1 . . . . 137 TYR CA . 15690 1 1555 . 3 2 64 64 TYR CB C 13 38.8 0.3 . 1 . . . . 137 TYR CB . 15690 1 1556 . 3 2 64 64 TYR N N 15 125.4 0.3 . 1 . . . . 137 TYR N . 15690 1 1557 . 3 2 65 65 LEU H H 1 8.33 0.02 . 1 . . . . 138 LEU H . 15690 1 1558 . 3 2 65 65 LEU HA H 1 4.26 0.02 . 1 . . . . 138 LEU HA . 15690 1 1559 . 3 2 65 65 LEU HB2 H 1 1.32 0.02 . 2 . . . . 138 LEU HB2 . 15690 1 1560 . 3 2 65 65 LEU HB3 H 1 1.43 0.02 . 2 . . . . 138 LEU HB3 . 15690 1 1561 . 3 2 65 65 LEU HD11 H 1 0.77 0.02 . 1 . . . . 138 LEU HD1 . 15690 1 1562 . 3 2 65 65 LEU HD12 H 1 0.77 0.02 . 1 . . . . 138 LEU HD1 . 15690 1 1563 . 3 2 65 65 LEU HD13 H 1 0.77 0.02 . 1 . . . . 138 LEU HD1 . 15690 1 1564 . 3 2 65 65 LEU HD21 H 1 0.73 0.02 . 1 . . . . 138 LEU HD2 . 15690 1 1565 . 3 2 65 65 LEU HD22 H 1 0.73 0.02 . 1 . . . . 138 LEU HD2 . 15690 1 1566 . 3 2 65 65 LEU HD23 H 1 0.73 0.02 . 1 . . . . 138 LEU HD2 . 15690 1 1567 . 3 2 65 65 LEU HG H 1 1.43 0.02 . 1 . . . . 138 LEU HG . 15690 1 1568 . 3 2 65 65 LEU C C 13 176.5 0.3 . 1 . . . . 138 LEU C . 15690 1 1569 . 3 2 65 65 LEU CA C 13 55.0 0.3 . 1 . . . . 138 LEU CA . 15690 1 1570 . 3 2 65 65 LEU CB C 13 41.9 0.3 . 1 . . . . 138 LEU CB . 15690 1 1571 . 3 2 65 65 LEU CD1 C 13 22.4 0.3 . 1 . . . . 138 LEU CD1 . 15690 1 1572 . 3 2 65 65 LEU CD2 C 13 25.6 0.3 . 1 . . . . 138 LEU CD2 . 15690 1 1573 . 3 2 65 65 LEU CG C 13 26.8 0.3 . 1 . . . . 138 LEU CG . 15690 1 1574 . 3 2 65 65 LEU N N 15 128.7 0.3 . 1 . . . . 138 LEU N . 15690 1 1575 . 3 2 66 66 GLY H H 1 5.82 0.02 . 1 . . . . 139 GLY H . 15690 1 1576 . 3 2 66 66 GLY HA2 H 1 3.35 0.02 . 2 . . . . 139 GLY HA2 . 15690 1 1577 . 3 2 66 66 GLY HA3 H 1 3.98 0.02 . 2 . . . . 139 GLY HA3 . 15690 1 1578 . 3 2 66 66 GLY C C 13 171.6 0.3 . 1 . . . . 139 GLY C . 15690 1 1579 . 3 2 66 66 GLY CA C 13 45.1 0.3 . 1 . . . . 139 GLY CA . 15690 1 1580 . 3 2 66 66 GLY N N 15 105.6 0.3 . 1 . . . . 139 GLY N . 15690 1 1581 . 3 2 67 67 LEU H H 1 7.98 0.02 . 1 . . . . 140 LEU H . 15690 1 1582 . 3 2 67 67 LEU HA H 1 4.68 0.02 . 1 . . . . 140 LEU HA . 15690 1 1583 . 3 2 67 67 LEU HB2 H 1 1.56 0.02 . 2 . . . . 140 LEU HB2 . 15690 1 1584 . 3 2 67 67 LEU HB3 H 1 1.53 0.02 . 2 . . . . 140 LEU HB3 . 15690 1 1585 . 3 2 67 67 LEU HD11 H 1 0.82 0.02 . 1 . . . . 140 LEU HD1 . 15690 1 1586 . 3 2 67 67 LEU HD12 H 1 0.82 0.02 . 1 . . . . 140 LEU HD1 . 15690 1 1587 . 3 2 67 67 LEU HD13 H 1 0.82 0.02 . 1 . . . . 140 LEU HD1 . 15690 1 1588 . 3 2 67 67 LEU HD21 H 1 0.74 0.02 . 1 . . . . 140 LEU HD2 . 15690 1 1589 . 3 2 67 67 LEU HD22 H 1 0.74 0.02 . 1 . . . . 140 LEU HD2 . 15690 1 1590 . 3 2 67 67 LEU HD23 H 1 0.74 0.02 . 1 . . . . 140 LEU HD2 . 15690 1 1591 . 3 2 67 67 LEU HG H 1 1.60 0.02 . 1 . . . . 140 LEU HG . 15690 1 1592 . 3 2 67 67 LEU C C 13 177.9 0.3 . 1 . . . . 140 LEU C . 15690 1 1593 . 3 2 67 67 LEU CA C 13 54.2 0.3 . 1 . . . . 140 LEU CA . 15690 1 1594 . 3 2 67 67 LEU CB C 13 43.8 0.3 . 1 . . . . 140 LEU CB . 15690 1 1595 . 3 2 67 67 LEU CD1 C 13 24.9 0.3 . 1 . . . . 140 LEU CD1 . 15690 1 1596 . 3 2 67 67 LEU CD2 C 13 24.6 0.3 . 1 . . . . 140 LEU CD2 . 15690 1 1597 . 3 2 67 67 LEU CG C 13 27.1 0.3 . 1 . . . . 140 LEU CG . 15690 1 1598 . 3 2 67 67 LEU N N 15 119.7 0.3 . 1 . . . . 140 LEU N . 15690 1 1599 . 3 2 68 68 GLU H H 1 8.45 0.02 . 1 . . . . 141 GLU H . 15690 1 1600 . 3 2 68 68 GLU HA H 1 4.24 0.02 . 1 . . . . 141 GLU HA . 15690 1 1601 . 3 2 68 68 GLU HB2 H 1 1.95 0.02 . 2 . . . . 141 GLU HB2 . 15690 1 1602 . 3 2 68 68 GLU HB3 H 1 1.84 0.02 . 2 . . . . 141 GLU HB3 . 15690 1 1603 . 3 2 68 68 GLU HG2 H 1 2.09 0.02 . 2 . . . . 141 GLU HG2 . 15690 1 1604 . 3 2 68 68 GLU HG3 H 1 2.25 0.02 . 2 . . . . 141 GLU HG3 . 15690 1 1605 . 3 2 68 68 GLU CA C 13 56.6 0.3 . 1 . . . . 141 GLU CA . 15690 1 1606 . 3 2 68 68 GLU CB C 13 30.4 0.3 . 1 . . . . 141 GLU CB . 15690 1 1607 . 3 2 68 68 GLU CG C 13 36.5 0.3 . 1 . . . . 141 GLU CG . 15690 1 1608 . 3 2 68 68 GLU N N 15 123.7 0.3 . 1 . . . . 141 GLU N . 15690 1 stop_ save_