data_4703 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4703 _Entry.Title ; 1H sequential assignment and solution secondary structure of mouse MIP-3a chemokine ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-03-29 _Entry.Accession_date 2000-03-29 _Entry.Last_release_date 2001-09-12 _Entry.Original_release_date 2001-09-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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 'Jose Manuel' Perez-Canadillas . . . 4703 2 Angel Zaballos . . . 4703 3 Julio Gutierrez . . . 4703 4 Rosa Varona . . . 4703 5 Fernando Roncal . . . 4703 6 'Juan Pablo' Albar . . . 4703 7 Gabriel Marquez . . . 4703 8 Marta Bruix . . . 4703 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4703 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 537 4703 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 1 . . 2001-09-12 2000-03-29 original author . 4703 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4703 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21359412 _Citation.DOI . _Citation.PubMed_ID 11373289 _Citation.Full_citation . _Citation.Title ; NMR Solution Structure of Murine CCL20/MIP-3alpha, a Chemokine that Specifically Chemoattracts Immature Dendritic cells and Lymphocytes through its highly Specific Interaction with the Beta-chemokine Receptor CCR6 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 276 _Citation.Journal_issue 30 _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 28372 _Citation.Page_last 28379 _Citation.Year 2001 _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 'Jose Manuel' Perez-Canadillas . . . 4703 1 2 Angel Zaballos . . . 4703 1 3 Julio Gutierrez . . . 4703 1 4 Rosa Varona . . . 4703 1 5 Fernando Roncal . . . 4703 1 6 'Juan Pablo' Albar . . . 4703 1 7 Gabriel Marquez . . . 4703 1 8 Marta Bruix . . . 4703 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignment' 4703 1 MIP-3a 4703 1 chemokine 4703 1 'secondary structure' 4703 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4703 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9862452 _Citation.Full_citation 'FEBS Lett. (1998) 440, 188-194' _Citation.Title 'Molecular cloning, functional characterization and mRNA expression analysis of the murine chemokine receptor CCR6 and its specific ligand MIP-3alpha.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 440 _Citation.Journal_issue 1-2 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _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 188 _Citation.Page_last 194 _Citation.Year 1998 _Citation.Details ; We have cloned the murine CCR6 receptor and its ligand, the beta-chemokine mMIP-3alpha. Calcium mobilization assays performed with mCCR6 transfectants showed significant responses upon addition of mMIP-3alpha. Murine MIP-3alpha RNA is expressed in thymus, small intestine and colon, whereas mCCR6 RNA is expressed in spleen and lymph nodes. RT-PCR analysis of FACS-sorted lymphoid and antigen presenting cell subsets showed mCCR6 expression mainly in B cells, CD8- splenic dendritic cells and CD4+ T cells. The cloning and functional characterization of the mCCR6 and mMIP-3alpha will allow the study of the role of these proteins in mouse models of inflammation and immunity. ; 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 R Varona R. . . 4703 2 2 A Zaballos A. . . 4703 2 3 J Gutierrez J. . . 4703 2 4 P Martin P. . . 4703 2 5 F Roncal F. . . 4703 2 6 'J P' Albar J. P. . 4703 2 7 C Ardavin C. . . 4703 2 8 G Marquez G. . . 4703 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 4703 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 10577517 _Citation.Full_citation 'J. Leukoc. Biol. (1999) 66, 837-844' _Citation.Title 'Down-regulation of the beta-chemokine receptor CCR6 in dendritic cells mediated by TNF-alpha and IL-4.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Leukoc. Biol.' _Citation.Journal_name_full 'Journal of leukocyte biology' _Citation.Journal_volume 66 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0741-5400 _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 837 _Citation.Page_last 844 _Citation.Year 1999 _Citation.Details ; Chemokines are involved in the control of dendritic cell (DC) trafficking, which is critical for the immune response. We have generated DC from human umbilical cord blood CD34+ progenitors cultured with granulocyte-macrophage colony-stimulating factor, tumor necrosis factor alpha (TNF-alpha), and stem cell factor. Using an anti-CCR6 monoclonal antibody, we observed that these cells showed maximum expression of this beta-chemokine receptor when they were immature, as determined by their relatively low expression of several DC maturation markers such as CD1a, CD11c, CD14, CD40, CD80, and CD83. Immature DC responded strongly to macrophage inflammatory protein-3alpha (MIP-3alpha), the CCR6 ligand, in migration and calcium mobilization assays. CCR6 expression decreased in parallel with the DC maturation induced by prolonged TNF-alphaq treatments. Interleukin-4 was also able to decrease CCR6 protein levels. Our findings suggest that the MIP-3alpha/CCR6 interaction plays an important role in the trafficking of immature DC to chemokine production sites such as injured or inflamed peripheral tissues, where DC undergo maturation on contact with antigens. ; 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 L Carramolino L. . . 4703 3 2 L Kremer L. . . 4703 3 3 I Goya I. . . 4703 3 4 R Varona R. . . 4703 3 5 'J M' Buesa J. M. . 4703 3 6 J Gutierrez J. . . 4703 3 7 A Zaballos A. . . 4703 3 8 C Martinez-A C. . . 4703 3 9 G Marquez G. . . 4703 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MIP-3_alpha _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MIP-3_alpha _Assembly.Entry_ID 4703 _Assembly.ID 1 _Assembly.Name 'Macrophage Inflammatory Protein-3 alpha' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4703 1 stop_ 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 'MIP-3 alpha' 1 $MIP-3_alpha . . . native . . . . . 4703 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 disulfide single . 1 . 1 CYS 6 6 SG . 1 . 1 CYS 32 32 SG . . . . . . . . . . 4703 1 2 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 48 48 SG . . . . . . . . . . 4703 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Macrophage Inflammatory Protein-3 alpha' system 4703 1 'MIP-3 alpha' abbreviation 4703 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MIP-3_alpha _Entity.Sf_category entity _Entity.Sf_framecode MIP-3_alpha _Entity.Entry_ID 4703 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Macrophage Inflammatory protein-3 alpha' _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 ; ASNYDCCLSYIQTPLPSRAI VGFTRQMADEACDINAIIFH TKKRKSVCADPKQNWVKRAV NLLSLRVKKM ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7948 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-10 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 no PDB 1HA6 . "Nmr Solution Structure Of Murine Ccl20MIP-3a Chemokine" . . . . . 100.00 70 100.00 100.00 1.29e-43 . . . . 4703 1 2 no DBJ BAA76955 . "chemokine LARC [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 3 no DBJ BAA78113 . "LARC [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 4 no EMBL CAA07714 . "larc [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 5 no EMBL CAA10948 . "CC chemokine MIP-3a [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 6 no GB AAC78295 . "CC chemokine ST38 precursor [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 7 no GB AAC78680 . "macrophage inflammatory protein 3 alpha [Mus musculus]" . . . . . 100.00 96 100.00 100.00 1.51e-43 . . . . 4703 1 8 no GB AAH28504 . "Chemokine (C-C motif) ligand 20 [Mus musculus]" . . . . . 100.00 96 100.00 100.00 1.51e-43 . . . . 4703 1 9 no GB EDL02154 . "chemokine (C-C motif) ligand 20, isoform CRA_a [Mus musculus]" . . . . . 100.00 96 100.00 100.00 1.51e-43 . . . . 4703 1 10 no GB EDL02155 . "chemokine (C-C motif) ligand 20, isoform CRA_b, partial [Mus musculus]" . . . . . 90.00 110 100.00 100.00 1.05e-38 . . . . 4703 1 11 no REF NP_001153210 . "C-C motif chemokine 20 isoform 2 precursor [Mus musculus]" . . . . . 100.00 96 100.00 100.00 1.51e-43 . . . . 4703 1 12 no REF NP_058656 . "C-C motif chemokine 20 isoform 1 precursor [Mus musculus]" . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 13 no REF XP_006496510 . "PREDICTED: C-C motif chemokine 20 isoform X1 [Mus musculus]" . . . . . 90.00 103 100.00 100.00 1.16e-38 . . . . 4703 1 14 no REF XP_006496511 . "PREDICTED: C-C motif chemokine 20 isoform X2 [Mus musculus]" . . . . . 90.00 102 100.00 100.00 1.17e-38 . . . . 4703 1 15 no SP O89093 . "RecName: Full=C-C motif chemokine 20; AltName: Full=Beta-chemokine exodus-1; AltName: Full=CC chemokine LARC; AltName: Full=CC " . . . . . 100.00 97 100.00 100.00 1.55e-43 . . . . 4703 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Macrophage Inflammatory protein-3 alpha' common 4703 1 'MIP-3 alpha' abbreviation 4703 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 . ALA . 4703 1 2 . SER . 4703 1 3 . ASN . 4703 1 4 . TYR . 4703 1 5 . ASP . 4703 1 6 . CYS . 4703 1 7 . CYS . 4703 1 8 . LEU . 4703 1 9 . SER . 4703 1 10 . TYR . 4703 1 11 . ILE . 4703 1 12 . GLN . 4703 1 13 . THR . 4703 1 14 . PRO . 4703 1 15 . LEU . 4703 1 16 . PRO . 4703 1 17 . SER . 4703 1 18 . ARG . 4703 1 19 . ALA . 4703 1 20 . ILE . 4703 1 21 . VAL . 4703 1 22 . GLY . 4703 1 23 . PHE . 4703 1 24 . THR . 4703 1 25 . ARG . 4703 1 26 . GLN . 4703 1 27 . MET . 4703 1 28 . ALA . 4703 1 29 . ASP . 4703 1 30 . GLU . 4703 1 31 . ALA . 4703 1 32 . CYS . 4703 1 33 . ASP . 4703 1 34 . ILE . 4703 1 35 . ASN . 4703 1 36 . ALA . 4703 1 37 . ILE . 4703 1 38 . ILE . 4703 1 39 . PHE . 4703 1 40 . HIS . 4703 1 41 . THR . 4703 1 42 . LYS . 4703 1 43 . LYS . 4703 1 44 . ARG . 4703 1 45 . LYS . 4703 1 46 . SER . 4703 1 47 . VAL . 4703 1 48 . CYS . 4703 1 49 . ALA . 4703 1 50 . ASP . 4703 1 51 . PRO . 4703 1 52 . LYS . 4703 1 53 . GLN . 4703 1 54 . ASN . 4703 1 55 . TRP . 4703 1 56 . VAL . 4703 1 57 . LYS . 4703 1 58 . ARG . 4703 1 59 . ALA . 4703 1 60 . VAL . 4703 1 61 . ASN . 4703 1 62 . LEU . 4703 1 63 . LEU . 4703 1 64 . SER . 4703 1 65 . LEU . 4703 1 66 . ARG . 4703 1 67 . VAL . 4703 1 68 . LYS . 4703 1 69 . LYS . 4703 1 70 . MET . 4703 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 . ALA 1 1 4703 1 . SER 2 2 4703 1 . ASN 3 3 4703 1 . TYR 4 4 4703 1 . ASP 5 5 4703 1 . CYS 6 6 4703 1 . CYS 7 7 4703 1 . LEU 8 8 4703 1 . SER 9 9 4703 1 . TYR 10 10 4703 1 . ILE 11 11 4703 1 . GLN 12 12 4703 1 . THR 13 13 4703 1 . PRO 14 14 4703 1 . LEU 15 15 4703 1 . PRO 16 16 4703 1 . SER 17 17 4703 1 . ARG 18 18 4703 1 . ALA 19 19 4703 1 . ILE 20 20 4703 1 . VAL 21 21 4703 1 . GLY 22 22 4703 1 . PHE 23 23 4703 1 . THR 24 24 4703 1 . ARG 25 25 4703 1 . GLN 26 26 4703 1 . MET 27 27 4703 1 . ALA 28 28 4703 1 . ASP 29 29 4703 1 . GLU 30 30 4703 1 . ALA 31 31 4703 1 . CYS 32 32 4703 1 . ASP 33 33 4703 1 . ILE 34 34 4703 1 . ASN 35 35 4703 1 . ALA 36 36 4703 1 . ILE 37 37 4703 1 . ILE 38 38 4703 1 . PHE 39 39 4703 1 . HIS 40 40 4703 1 . THR 41 41 4703 1 . LYS 42 42 4703 1 . LYS 43 43 4703 1 . ARG 44 44 4703 1 . LYS 45 45 4703 1 . SER 46 46 4703 1 . VAL 47 47 4703 1 . CYS 48 48 4703 1 . ALA 49 49 4703 1 . ASP 50 50 4703 1 . PRO 51 51 4703 1 . LYS 52 52 4703 1 . GLN 53 53 4703 1 . ASN 54 54 4703 1 . TRP 55 55 4703 1 . VAL 56 56 4703 1 . LYS 57 57 4703 1 . ARG 58 58 4703 1 . ALA 59 59 4703 1 . VAL 60 60 4703 1 . ASN 61 61 4703 1 . LEU 62 62 4703 1 . LEU 63 63 4703 1 . SER 64 64 4703 1 . LEU 65 65 4703 1 . ARG 66 66 4703 1 . VAL 67 67 4703 1 . LYS 68 68 4703 1 . LYS 69 69 4703 1 . MET 70 70 4703 1 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 4703 _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 $MIP-3_alpha . 10090 . . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4703 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 4703 _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 $MIP-3_alpha . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4703 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4703 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'Macrophage Inflammatory protein-3 alpha' . . . 1 $MIP-3_alpha . . 1.1 . . mM . . . . 4703 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4703 _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* 3.5 0.1 n/a 4703 1 temperature 308 0.1 K 4703 1 'ionic strength' 0.1 0.01 M 4703 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 4703 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4703 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4703 _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 NMR_spectrometer Bruker AMX . 600 . . . 4703 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 4703 _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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4703 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4703 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4703 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4703 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4703 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4703 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4703 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . . cylindrical parallel_to_Bo . . . . . . 4703 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4703 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4703 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 . 1 1 1 1 ALA HA H 1 4.17 0.02 . 1 . . . . . . . . 4703 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.02 . 1 . . . . . . . . 4703 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.02 . 1 . . . . . . . . 4703 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.02 . 1 . . . . . . . . 4703 1 5 . 1 1 2 2 SER H H 1 8.62 0.02 . 1 . . . . . . . . 4703 1 6 . 1 1 2 2 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 4703 1 7 . 1 1 2 2 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 4703 1 8 . 1 1 2 2 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 4703 1 9 . 1 1 3 3 ASN H H 1 8.44 0.02 . 1 . . . . . . . . 4703 1 10 . 1 1 3 3 ASN HA H 1 4.71 0.02 . 1 . . . . . . . . 4703 1 11 . 1 1 3 3 ASN HB2 H 1 2.72 0.02 . 1 . . . . . . . . 4703 1 12 . 1 1 3 3 ASN HB3 H 1 2.72 0.02 . 1 . . . . . . . . 4703 1 13 . 1 1 3 3 ASN HD21 H 1 6.84 0.02 . 2 . . . . . . . . 4703 1 14 . 1 1 3 3 ASN HD22 H 1 7.12 0.02 . 2 . . . . . . . . 4703 1 15 . 1 1 4 4 TYR H H 1 8.08 0.02 . 1 . . . . . . . . 4703 1 16 . 1 1 4 4 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 4703 1 17 . 1 1 4 4 TYR HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4703 1 18 . 1 1 4 4 TYR HB3 H 1 3.07 0.02 . 2 . . . . . . . . 4703 1 19 . 1 1 4 4 TYR HD1 H 1 7.12 0.02 . 1 . . . . . . . . 4703 1 20 . 1 1 4 4 TYR HD2 H 1 7.12 0.02 . 1 . . . . . . . . 4703 1 21 . 1 1 4 4 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 4703 1 22 . 1 1 4 4 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 4703 1 23 . 1 1 5 5 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 4703 1 24 . 1 1 5 5 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 4703 1 25 . 1 1 5 5 ASP HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4703 1 26 . 1 1 5 5 ASP HB3 H 1 2.85 0.02 . 2 . . . . . . . . 4703 1 27 . 1 1 6 6 CYS H H 1 8.00 0.02 . 1 . . . . . . . . 4703 1 28 . 1 1 6 6 CYS HA H 1 4.56 0.02 . 1 . . . . . . . . 4703 1 29 . 1 1 6 6 CYS HB2 H 1 2.85 0.02 . 2 . . . . . . . . 4703 1 30 . 1 1 6 6 CYS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4703 1 31 . 1 1 7 7 CYS H H 1 9.86 0.02 . 1 . . . . . . . . 4703 1 32 . 1 1 7 7 CYS HA H 1 4.64 0.02 . 1 . . . . . . . . 4703 1 33 . 1 1 7 7 CYS HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4703 1 34 . 1 1 7 7 CYS HB3 H 1 2.74 0.02 . 2 . . . . . . . . 4703 1 35 . 1 1 8 8 LEU H H 1 8.72 0.02 . 1 . . . . . . . . 4703 1 36 . 1 1 8 8 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 4703 1 37 . 1 1 8 8 LEU HB2 H 1 1.58 0.02 . 1 . . . . . . . . 4703 1 38 . 1 1 8 8 LEU HB3 H 1 1.58 0.02 . 1 . . . . . . . . 4703 1 39 . 1 1 8 8 LEU HG H 1 1.63 0.02 . 1 . . . . . . . . 4703 1 40 . 1 1 8 8 LEU HD11 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 41 . 1 1 8 8 LEU HD12 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 42 . 1 1 8 8 LEU HD13 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 43 . 1 1 8 8 LEU HD21 H 1 0.91 0.02 . 2 . . . . . . . . 4703 1 44 . 1 1 8 8 LEU HD22 H 1 0.91 0.02 . 2 . . . . . . . . 4703 1 45 . 1 1 8 8 LEU HD23 H 1 0.91 0.02 . 2 . . . . . . . . 4703 1 46 . 1 1 9 9 SER H H 1 7.49 0.02 . 1 . . . . . . . . 4703 1 47 . 1 1 9 9 SER HA H 1 4.08 0.02 . 1 . . . . . . . . 4703 1 48 . 1 1 9 9 SER HB2 H 1 3.74 0.02 . 1 . . . . . . . . 4703 1 49 . 1 1 9 9 SER HB3 H 1 3.74 0.02 . 1 . . . . . . . . 4703 1 50 . 1 1 10 10 TYR H H 1 8.25 0.02 . 1 . . . . . . . . 4703 1 51 . 1 1 10 10 TYR HA H 1 5.01 0.02 . 1 . . . . . . . . 4703 1 52 . 1 1 10 10 TYR HB2 H 1 2.81 0.02 . 2 . . . . . . . . 4703 1 53 . 1 1 10 10 TYR HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4703 1 54 . 1 1 10 10 TYR HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4703 1 55 . 1 1 10 10 TYR HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4703 1 56 . 1 1 10 10 TYR HE1 H 1 6.84 0.02 . 1 . . . . . . . . 4703 1 57 . 1 1 10 10 TYR HE2 H 1 6.84 0.02 . 1 . . . . . . . . 4703 1 58 . 1 1 11 11 ILE H H 1 9.04 0.02 . 1 . . . . . . . . 4703 1 59 . 1 1 11 11 ILE HA H 1 4.50 0.02 . 1 . . . . . . . . 4703 1 60 . 1 1 11 11 ILE HB H 1 2.25 0.02 . 1 . . . . . . . . 4703 1 61 . 1 1 11 11 ILE HG12 H 1 1.68 0.02 . 2 . . . . . . . . 4703 1 62 . 1 1 11 11 ILE HG13 H 1 1.78 0.02 . 2 . . . . . . . . 4703 1 63 . 1 1 11 11 ILE HG21 H 1 1.30 0.02 . 1 . . . . . . . . 4703 1 64 . 1 1 11 11 ILE HG22 H 1 1.30 0.02 . 1 . . . . . . . . 4703 1 65 . 1 1 11 11 ILE HG23 H 1 1.30 0.02 . 1 . . . . . . . . 4703 1 66 . 1 1 11 11 ILE HD11 H 1 1.11 0.02 . 1 . . . . . . . . 4703 1 67 . 1 1 11 11 ILE HD12 H 1 1.11 0.02 . 1 . . . . . . . . 4703 1 68 . 1 1 11 11 ILE HD13 H 1 1.11 0.02 . 1 . . . . . . . . 4703 1 69 . 1 1 12 12 GLN H H 1 8.79 0.02 . 1 . . . . . . . . 4703 1 70 . 1 1 12 12 GLN HA H 1 4.65 0.02 . 1 . . . . . . . . 4703 1 71 . 1 1 12 12 GLN HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4703 1 72 . 1 1 12 12 GLN HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4703 1 73 . 1 1 12 12 GLN HG2 H 1 2.43 0.02 . 2 . . . . . . . . 4703 1 74 . 1 1 12 12 GLN HG3 H 1 2.56 0.02 . 2 . . . . . . . . 4703 1 75 . 1 1 12 12 GLN HE21 H 1 7.08 0.02 . 2 . . . . . . . . 4703 1 76 . 1 1 12 12 GLN HE22 H 1 7.52 0.02 . 2 . . . . . . . . 4703 1 77 . 1 1 13 13 THR H H 1 7.36 0.02 . 1 . . . . . . . . 4703 1 78 . 1 1 13 13 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 4703 1 79 . 1 1 13 13 THR HB H 1 3.95 0.02 . 1 . . . . . . . . 4703 1 80 . 1 1 13 13 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 81 . 1 1 13 13 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 82 . 1 1 13 13 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 83 . 1 1 14 14 PRO HA H 1 1.99 0.02 . 1 . . . . . . . . 4703 1 84 . 1 1 14 14 PRO HB2 H 1 0.69 0.02 . 2 . . . . . . . . 4703 1 85 . 1 1 14 14 PRO HB3 H 1 0.98 0.02 . 2 . . . . . . . . 4703 1 86 . 1 1 14 14 PRO HG2 H 1 1.07 0.02 . 2 . . . . . . . . 4703 1 87 . 1 1 14 14 PRO HG3 H 1 1.63 0.02 . 2 . . . . . . . . 4703 1 88 . 1 1 14 14 PRO HD2 H 1 3.32 0.02 . 2 . . . . . . . . 4703 1 89 . 1 1 14 14 PRO HD3 H 1 3.65 0.02 . 2 . . . . . . . . 4703 1 90 . 1 1 15 15 LEU H H 1 4.89 0.02 . 1 . . . . . . . . 4703 1 91 . 1 1 15 15 LEU HA H 1 4.42 0.02 . 1 . . . . . . . . 4703 1 92 . 1 1 15 15 LEU HB2 H 1 1.61 0.02 . 2 . . . . . . . . 4703 1 93 . 1 1 15 15 LEU HB3 H 1 1.77 0.02 . 2 . . . . . . . . 4703 1 94 . 1 1 15 15 LEU HG H 1 1.28 0.02 . 1 . . . . . . . . 4703 1 95 . 1 1 15 15 LEU HD11 H 1 0.82 0.02 . 2 . . . . . . . . 4703 1 96 . 1 1 15 15 LEU HD12 H 1 0.82 0.02 . 2 . . . . . . . . 4703 1 97 . 1 1 15 15 LEU HD13 H 1 0.82 0.02 . 2 . . . . . . . . 4703 1 98 . 1 1 15 15 LEU HD21 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 99 . 1 1 15 15 LEU HD22 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 100 . 1 1 15 15 LEU HD23 H 1 0.84 0.02 . 2 . . . . . . . . 4703 1 101 . 1 1 16 16 PRO HA H 1 4.42 0.02 . 1 . . . . . . . . 4703 1 102 . 1 1 16 16 PRO HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4703 1 103 . 1 1 16 16 PRO HB3 H 1 2.30 0.02 . 2 . . . . . . . . 4703 1 104 . 1 1 16 16 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 4703 1 105 . 1 1 16 16 PRO HG3 H 1 2.06 0.02 . 2 . . . . . . . . 4703 1 106 . 1 1 16 16 PRO HD2 H 1 3.43 0.02 . 2 . . . . . . . . 4703 1 107 . 1 1 16 16 PRO HD3 H 1 3.73 0.02 . 2 . . . . . . . . 4703 1 108 . 1 1 17 17 SER H H 1 8.57 0.02 . 1 . . . . . . . . 4703 1 109 . 1 1 17 17 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 4703 1 110 . 1 1 17 17 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 4703 1 111 . 1 1 17 17 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 4703 1 112 . 1 1 18 18 ARG H H 1 8.28 0.02 . 1 . . . . . . . . 4703 1 113 . 1 1 18 18 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 4703 1 114 . 1 1 18 18 ARG HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4703 1 115 . 1 1 18 18 ARG HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4703 1 116 . 1 1 18 18 ARG HG2 H 1 1.63 0.02 . 1 . . . . . . . . 4703 1 117 . 1 1 18 18 ARG HG3 H 1 1.63 0.02 . 1 . . . . . . . . 4703 1 118 . 1 1 18 18 ARG HD2 H 1 3.21 0.02 . 1 . . . . . . . . 4703 1 119 . 1 1 18 18 ARG HD3 H 1 3.21 0.02 . 1 . . . . . . . . 4703 1 120 . 1 1 18 18 ARG HE H 1 7.20 0.02 . 1 . . . . . . . . 4703 1 121 . 1 1 19 19 ALA H H 1 7.65 0.02 . 1 . . . . . . . . 4703 1 122 . 1 1 19 19 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 4703 1 123 . 1 1 19 19 ALA HB1 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 124 . 1 1 19 19 ALA HB2 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 125 . 1 1 19 19 ALA HB3 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 126 . 1 1 20 20 ILE H H 1 7.35 0.02 . 1 . . . . . . . . 4703 1 127 . 1 1 20 20 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 4703 1 128 . 1 1 20 20 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 4703 1 129 . 1 1 20 20 ILE HG12 H 1 0.40 0.02 . 2 . . . . . . . . 4703 1 130 . 1 1 20 20 ILE HG13 H 1 1.75 0.02 . 2 . . . . . . . . 4703 1 131 . 1 1 20 20 ILE HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4703 1 132 . 1 1 20 20 ILE HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4703 1 133 . 1 1 20 20 ILE HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4703 1 134 . 1 1 20 20 ILE HD11 H 1 0.24 0.02 . 1 . . . . . . . . 4703 1 135 . 1 1 20 20 ILE HD12 H 1 0.24 0.02 . 1 . . . . . . . . 4703 1 136 . 1 1 20 20 ILE HD13 H 1 0.24 0.02 . 1 . . . . . . . . 4703 1 137 . 1 1 21 21 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4703 1 138 . 1 1 21 21 VAL HA H 1 4.51 0.02 . 1 . . . . . . . . 4703 1 139 . 1 1 21 21 VAL HB H 1 2.20 0.02 . 1 . . . . . . . . 4703 1 140 . 1 1 21 21 VAL HG11 H 1 0.76 0.02 . 2 . . . . . . . . 4703 1 141 . 1 1 21 21 VAL HG12 H 1 0.76 0.02 . 2 . . . . . . . . 4703 1 142 . 1 1 21 21 VAL HG13 H 1 0.76 0.02 . 2 . . . . . . . . 4703 1 143 . 1 1 21 21 VAL HG21 H 1 0.92 0.02 . 2 . . . . . . . . 4703 1 144 . 1 1 21 21 VAL HG22 H 1 0.92 0.02 . 2 . . . . . . . . 4703 1 145 . 1 1 21 21 VAL HG23 H 1 0.92 0.02 . 2 . . . . . . . . 4703 1 146 . 1 1 22 22 GLY H H 1 7.86 0.02 . 1 . . . . . . . . 4703 1 147 . 1 1 22 22 GLY HA2 H 1 4.43 0.02 . 2 . . . . . . . . 4703 1 148 . 1 1 22 22 GLY HA3 H 1 4.47 0.02 . 2 . . . . . . . . 4703 1 149 . 1 1 23 23 PHE H H 1 8.87 0.02 . 1 . . . . . . . . 4703 1 150 . 1 1 23 23 PHE HA H 1 5.82 0.02 . 1 . . . . . . . . 4703 1 151 . 1 1 23 23 PHE HB2 H 1 2.58 0.02 . 2 . . . . . . . . 4703 1 152 . 1 1 23 23 PHE HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4703 1 153 . 1 1 23 23 PHE HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4703 1 154 . 1 1 23 23 PHE HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4703 1 155 . 1 1 23 23 PHE HE1 H 1 7.19 0.02 . 1 . . . . . . . . 4703 1 156 . 1 1 23 23 PHE HE2 H 1 7.19 0.02 . 1 . . . . . . . . 4703 1 157 . 1 1 23 23 PHE HZ H 1 7.32 0.02 . 1 . . . . . . . . 4703 1 158 . 1 1 24 24 THR H H 1 9.04 0.02 . 1 . . . . . . . . 4703 1 159 . 1 1 24 24 THR HA H 1 4.33 0.02 . 1 . . . . . . . . 4703 1 160 . 1 1 24 24 THR HB H 1 4.02 0.02 . 1 . . . . . . . . 4703 1 161 . 1 1 24 24 THR HG21 H 1 1.24 0.02 . 1 . . . . . . . . 4703 1 162 . 1 1 24 24 THR HG22 H 1 1.24 0.02 . 1 . . . . . . . . 4703 1 163 . 1 1 24 24 THR HG23 H 1 1.24 0.02 . 1 . . . . . . . . 4703 1 164 . 1 1 25 25 ARG H H 1 8.96 0.02 . 1 . . . . . . . . 4703 1 165 . 1 1 25 25 ARG HA H 1 4.67 0.02 . 1 . . . . . . . . 4703 1 166 . 1 1 25 25 ARG HB2 H 1 1.74 0.02 . 1 . . . . . . . . 4703 1 167 . 1 1 25 25 ARG HB3 H 1 1.74 0.02 . 1 . . . . . . . . 4703 1 168 . 1 1 25 25 ARG HG2 H 1 1.50 0.02 . 1 . . . . . . . . 4703 1 169 . 1 1 25 25 ARG HG3 H 1 1.50 0.02 . 1 . . . . . . . . 4703 1 170 . 1 1 25 25 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 171 . 1 1 25 25 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 172 . 1 1 25 25 ARG HE H 1 7.41 0.02 . 1 . . . . . . . . 4703 1 173 . 1 1 26 26 GLN H H 1 8.78 0.02 . 1 . . . . . . . . 4703 1 174 . 1 1 26 26 GLN HA H 1 4.70 0.02 . 1 . . . . . . . . 4703 1 175 . 1 1 26 26 GLN HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4703 1 176 . 1 1 26 26 GLN HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4703 1 177 . 1 1 26 26 GLN HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4703 1 178 . 1 1 26 26 GLN HG3 H 1 2.34 0.02 . 2 . . . . . . . . 4703 1 179 . 1 1 26 26 GLN HE21 H 1 7.92 0.02 . 2 . . . . . . . . 4703 1 180 . 1 1 26 26 GLN HE22 H 1 7.40 0.02 . 2 . . . . . . . . 4703 1 181 . 1 1 27 27 MET H H 1 8.82 0.02 . 1 . . . . . . . . 4703 1 182 . 1 1 27 27 MET HA H 1 5.02 0.02 . 1 . . . . . . . . 4703 1 183 . 1 1 27 27 MET HB2 H 1 1.98 0.02 . 2 . . . . . . . . 4703 1 184 . 1 1 27 27 MET HB3 H 1 2.10 0.02 . 2 . . . . . . . . 4703 1 185 . 1 1 27 27 MET HG2 H 1 2.55 0.02 . 2 . . . . . . . . 4703 1 186 . 1 1 27 27 MET HG3 H 1 2.66 0.02 . 2 . . . . . . . . 4703 1 187 . 1 1 27 27 MET HE1 H 1 2.13 0.02 . 1 . . . . . . . . 4703 1 188 . 1 1 27 27 MET HE2 H 1 2.13 0.02 . 1 . . . . . . . . 4703 1 189 . 1 1 27 27 MET HE3 H 1 2.13 0.02 . 1 . . . . . . . . 4703 1 190 . 1 1 28 28 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 4703 1 191 . 1 1 28 28 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4703 1 192 . 1 1 28 28 ALA HB1 H 1 1.12 0.02 . 1 . . . . . . . . 4703 1 193 . 1 1 28 28 ALA HB2 H 1 1.12 0.02 . 1 . . . . . . . . 4703 1 194 . 1 1 28 28 ALA HB3 H 1 1.12 0.02 . 1 . . . . . . . . 4703 1 195 . 1 1 29 29 ASP H H 1 8.54 0.02 . 1 . . . . . . . . 4703 1 196 . 1 1 29 29 ASP HA H 1 4.63 0.02 . 1 . . . . . . . . 4703 1 197 . 1 1 29 29 ASP HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4703 1 198 . 1 1 29 29 ASP HB3 H 1 3.23 0.02 . 2 . . . . . . . . 4703 1 199 . 1 1 30 30 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 4703 1 200 . 1 1 30 30 GLU HA H 1 4.02 0.02 . 1 . . . . . . . . 4703 1 201 . 1 1 30 30 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4703 1 202 . 1 1 30 30 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4703 1 203 . 1 1 30 30 GLU HG2 H 1 2.49 0.02 . 1 . . . . . . . . 4703 1 204 . 1 1 30 30 GLU HG3 H 1 2.49 0.02 . 1 . . . . . . . . 4703 1 205 . 1 1 31 31 ALA H H 1 7.70 0.02 . 1 . . . . . . . . 4703 1 206 . 1 1 31 31 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 4703 1 207 . 1 1 31 31 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 208 . 1 1 31 31 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 209 . 1 1 31 31 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 210 . 1 1 32 32 CYS H H 1 7.81 0.02 . 1 . . . . . . . . 4703 1 211 . 1 1 32 32 CYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4703 1 212 . 1 1 32 32 CYS HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4703 1 213 . 1 1 32 32 CYS HB3 H 1 3.20 0.02 . 2 . . . . . . . . 4703 1 214 . 1 1 33 33 ASP H H 1 8.68 0.02 . 1 . . . . . . . . 4703 1 215 . 1 1 33 33 ASP HA H 1 4.93 0.02 . 1 . . . . . . . . 4703 1 216 . 1 1 33 33 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4703 1 217 . 1 1 33 33 ASP HB3 H 1 2.92 0.02 . 2 . . . . . . . . 4703 1 218 . 1 1 34 34 ILE H H 1 7.31 0.02 . 1 . . . . . . . . 4703 1 219 . 1 1 34 34 ILE HA H 1 4.61 0.02 . 1 . . . . . . . . 4703 1 220 . 1 1 34 34 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 4703 1 221 . 1 1 34 34 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4703 1 222 . 1 1 34 34 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 4703 1 223 . 1 1 34 34 ILE HG21 H 1 0.71 0.02 . 1 . . . . . . . . 4703 1 224 . 1 1 34 34 ILE HG22 H 1 0.71 0.02 . 1 . . . . . . . . 4703 1 225 . 1 1 34 34 ILE HG23 H 1 0.71 0.02 . 1 . . . . . . . . 4703 1 226 . 1 1 34 34 ILE HD11 H 1 0.36 0.02 . 1 . . . . . . . . 4703 1 227 . 1 1 34 34 ILE HD12 H 1 0.36 0.02 . 1 . . . . . . . . 4703 1 228 . 1 1 34 34 ILE HD13 H 1 0.36 0.02 . 1 . . . . . . . . 4703 1 229 . 1 1 35 35 ASN H H 1 8.83 0.02 . 1 . . . . . . . . 4703 1 230 . 1 1 35 35 ASN HA H 1 5.27 0.02 . 1 . . . . . . . . 4703 1 231 . 1 1 35 35 ASN HB2 H 1 2.81 0.02 . 1 . . . . . . . . 4703 1 232 . 1 1 35 35 ASN HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4703 1 233 . 1 1 35 35 ASN HD21 H 1 7.08 0.02 . 2 . . . . . . . . 4703 1 234 . 1 1 35 35 ASN HD22 H 1 7.60 0.02 . 2 . . . . . . . . 4703 1 235 . 1 1 36 36 ALA H H 1 9.42 0.02 . 1 . . . . . . . . 4703 1 236 . 1 1 36 36 ALA HA H 1 4.91 0.02 . 1 . . . . . . . . 4703 1 237 . 1 1 36 36 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4703 1 238 . 1 1 36 36 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4703 1 239 . 1 1 36 36 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4703 1 240 . 1 1 37 37 ILE H H 1 8.58 0.02 . 1 . . . . . . . . 4703 1 241 . 1 1 37 37 ILE HA H 1 4.35 0.02 . 1 . . . . . . . . 4703 1 242 . 1 1 37 37 ILE HB H 1 1.18 0.02 . 1 . . . . . . . . 4703 1 243 . 1 1 37 37 ILE HG12 H 1 1.08 0.02 . 2 . . . . . . . . 4703 1 244 . 1 1 37 37 ILE HG13 H 1 0.83 0.02 . 2 . . . . . . . . 4703 1 245 . 1 1 37 37 ILE HG21 H 1 -0.35 0.02 . 1 . . . . . . . . 4703 1 246 . 1 1 37 37 ILE HG22 H 1 -0.35 0.02 . 1 . . . . . . . . 4703 1 247 . 1 1 37 37 ILE HG23 H 1 -0.35 0.02 . 1 . . . . . . . . 4703 1 248 . 1 1 37 37 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4703 1 249 . 1 1 37 37 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4703 1 250 . 1 1 37 37 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4703 1 251 . 1 1 38 38 ILE H H 1 8.86 0.02 . 1 . . . . . . . . 4703 1 252 . 1 1 38 38 ILE HA H 1 4.76 0.02 . 1 . . . . . . . . 4703 1 253 . 1 1 38 38 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4703 1 254 . 1 1 38 38 ILE HG12 H 1 1.08 0.02 . 2 . . . . . . . . 4703 1 255 . 1 1 38 38 ILE HG13 H 1 1.40 0.02 . 2 . . . . . . . . 4703 1 256 . 1 1 38 38 ILE HG21 H 1 0.64 0.02 . 1 . . . . . . . . 4703 1 257 . 1 1 38 38 ILE HG22 H 1 0.64 0.02 . 1 . . . . . . . . 4703 1 258 . 1 1 38 38 ILE HG23 H 1 0.64 0.02 . 1 . . . . . . . . 4703 1 259 . 1 1 38 38 ILE HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4703 1 260 . 1 1 38 38 ILE HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4703 1 261 . 1 1 38 38 ILE HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4703 1 262 . 1 1 39 39 PHE H H 1 9.21 0.02 . 1 . . . . . . . . 4703 1 263 . 1 1 39 39 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 4703 1 264 . 1 1 39 39 PHE HB2 H 1 2.79 0.02 . 2 . . . . . . . . 4703 1 265 . 1 1 39 39 PHE HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4703 1 266 . 1 1 39 39 PHE HD1 H 1 7.24 0.02 . 1 . . . . . . . . 4703 1 267 . 1 1 39 39 PHE HD2 H 1 7.24 0.02 . 1 . . . . . . . . 4703 1 268 . 1 1 39 39 PHE HE1 H 1 6.76 0.02 . 1 . . . . . . . . 4703 1 269 . 1 1 39 39 PHE HE2 H 1 6.76 0.02 . 1 . . . . . . . . 4703 1 270 . 1 1 39 39 PHE HZ H 1 7.12 0.02 . 1 . . . . . . . . 4703 1 271 . 1 1 40 40 HIS H H 1 8.65 0.02 . 1 . . . . . . . . 4703 1 272 . 1 1 40 40 HIS HA H 1 5.56 0.02 . 1 . . . . . . . . 4703 1 273 . 1 1 40 40 HIS HB2 H 1 2.95 0.02 . 3 . . . . . . . . 4703 1 274 . 1 1 40 40 HIS HB3 H 1 3.38 0.02 . 3 . . . . . . . . 4703 1 275 . 1 1 40 40 HIS HD2 H 1 7.03 0.02 . 1 . . . . . . . . 4703 1 276 . 1 1 40 40 HIS HE1 H 1 8.52 0.02 . 1 . . . . . . . . 4703 1 277 . 1 1 41 41 THR H H 1 8.95 0.02 . 1 . . . . . . . . 4703 1 278 . 1 1 41 41 THR HA H 1 5.55 0.02 . 1 . . . . . . . . 4703 1 279 . 1 1 41 41 THR HB H 1 4.87 0.02 . 1 . . . . . . . . 4703 1 280 . 1 1 41 41 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 281 . 1 1 41 41 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 282 . 1 1 41 41 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4703 1 283 . 1 1 42 42 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 4703 1 284 . 1 1 42 42 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 4703 1 285 . 1 1 42 42 LYS HB2 H 1 1.92 0.02 . 1 . . . . . . . . 4703 1 286 . 1 1 42 42 LYS HB3 H 1 1.92 0.02 . 1 . . . . . . . . 4703 1 287 . 1 1 42 42 LYS HG2 H 1 1.46 0.02 . 1 . . . . . . . . 4703 1 288 . 1 1 42 42 LYS HG3 H 1 1.46 0.02 . 1 . . . . . . . . 4703 1 289 . 1 1 42 42 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 290 . 1 1 42 42 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 291 . 1 1 42 42 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4703 1 292 . 1 1 42 42 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4703 1 293 . 1 1 42 42 LYS HZ1 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 294 . 1 1 42 42 LYS HZ2 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 295 . 1 1 42 42 LYS HZ3 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 296 . 1 1 43 43 LYS H H 1 7.90 0.02 . 1 . . . . . . . . 4703 1 297 . 1 1 43 43 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 4703 1 298 . 1 1 43 43 LYS HB2 H 1 1.77 0.02 . 2 . . . . . . . . 4703 1 299 . 1 1 43 43 LYS HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4703 1 300 . 1 1 43 43 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4703 1 301 . 1 1 43 43 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4703 1 302 . 1 1 43 43 LYS HD2 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 303 . 1 1 43 43 LYS HD3 H 1 1.55 0.02 . 1 . . . . . . . . 4703 1 304 . 1 1 43 43 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 4703 1 305 . 1 1 43 43 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 4703 1 306 . 1 1 43 43 LYS HZ1 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 307 . 1 1 43 43 LYS HZ2 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 308 . 1 1 43 43 LYS HZ3 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 309 . 1 1 44 44 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 4703 1 310 . 1 1 44 44 ARG HA H 1 4.25 0.02 . 1 . . . . . . . . 4703 1 311 . 1 1 44 44 ARG HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4703 1 312 . 1 1 44 44 ARG HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4703 1 313 . 1 1 44 44 ARG HG2 H 1 1.58 0.02 . 1 . . . . . . . . 4703 1 314 . 1 1 44 44 ARG HG3 H 1 1.58 0.02 . 1 . . . . . . . . 4703 1 315 . 1 1 44 44 ARG HD2 H 1 3.22 0.02 . 1 . . . . . . . . 4703 1 316 . 1 1 44 44 ARG HD3 H 1 3.22 0.02 . 1 . . . . . . . . 4703 1 317 . 1 1 44 44 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 4703 1 318 . 1 1 45 45 LYS H H 1 7.72 0.02 . 1 . . . . . . . . 4703 1 319 . 1 1 45 45 LYS HA H 1 4.51 0.02 . 1 . . . . . . . . 4703 1 320 . 1 1 45 45 LYS HB2 H 1 1.83 0.02 . 1 . . . . . . . . 4703 1 321 . 1 1 45 45 LYS HB3 H 1 1.83 0.02 . 1 . . . . . . . . 4703 1 322 . 1 1 45 45 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4703 1 323 . 1 1 45 45 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4703 1 324 . 1 1 45 45 LYS HD2 H 1 1.71 0.02 . 1 . . . . . . . . 4703 1 325 . 1 1 45 45 LYS HD3 H 1 1.71 0.02 . 1 . . . . . . . . 4703 1 326 . 1 1 45 45 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4703 1 327 . 1 1 45 45 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4703 1 328 . 1 1 45 45 LYS HZ1 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 329 . 1 1 45 45 LYS HZ2 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 330 . 1 1 45 45 LYS HZ3 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 331 . 1 1 46 46 SER H H 1 8.41 0.02 . 1 . . . . . . . . 4703 1 332 . 1 1 46 46 SER HA H 1 5.29 0.02 . 1 . . . . . . . . 4703 1 333 . 1 1 46 46 SER HB2 H 1 3.66 0.02 . 2 . . . . . . . . 4703 1 334 . 1 1 46 46 SER HB3 H 1 3.72 0.02 . 2 . . . . . . . . 4703 1 335 . 1 1 47 47 VAL H H 1 8.95 0.02 . 1 . . . . . . . . 4703 1 336 . 1 1 47 47 VAL HA H 1 4.47 0.02 . 1 . . . . . . . . 4703 1 337 . 1 1 47 47 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 4703 1 338 . 1 1 47 47 VAL HG11 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 339 . 1 1 47 47 VAL HG12 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 340 . 1 1 47 47 VAL HG13 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 341 . 1 1 47 47 VAL HG21 H 1 1.17 0.02 . 2 . . . . . . . . 4703 1 342 . 1 1 47 47 VAL HG22 H 1 1.17 0.02 . 2 . . . . . . . . 4703 1 343 . 1 1 47 47 VAL HG23 H 1 1.17 0.02 . 2 . . . . . . . . 4703 1 344 . 1 1 48 48 CYS H H 1 9.00 0.02 . 1 . . . . . . . . 4703 1 345 . 1 1 48 48 CYS HA H 1 4.85 0.02 . 1 . . . . . . . . 4703 1 346 . 1 1 48 48 CYS HB2 H 1 3.10 0.02 . 2 . . . . . . . . 4703 1 347 . 1 1 48 48 CYS HB3 H 1 3.55 0.02 . 2 . . . . . . . . 4703 1 348 . 1 1 49 49 ALA H H 1 9.81 0.02 . 1 . . . . . . . . 4703 1 349 . 1 1 49 49 ALA HA H 1 5.05 0.02 . 1 . . . . . . . . 4703 1 350 . 1 1 49 49 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 351 . 1 1 49 49 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 352 . 1 1 49 49 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4703 1 353 . 1 1 50 50 ASP H H 1 8.47 0.02 . 1 . . . . . . . . 4703 1 354 . 1 1 50 50 ASP HA H 1 3.25 0.02 . 1 . . . . . . . . 4703 1 355 . 1 1 50 50 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4703 1 356 . 1 1 50 50 ASP HB3 H 1 1.65 0.02 . 2 . . . . . . . . 4703 1 357 . 1 1 51 51 PRO HA H 1 3.89 0.02 . 1 . . . . . . . . 4703 1 358 . 1 1 51 51 PRO HB2 H 1 1.82 0.02 . 2 . . . . . . . . 4703 1 359 . 1 1 51 51 PRO HB3 H 1 2.12 0.02 . 2 . . . . . . . . 4703 1 360 . 1 1 51 51 PRO HG2 H 1 1.59 0.02 . 2 . . . . . . . . 4703 1 361 . 1 1 51 51 PRO HD2 H 1 3.69 0.02 . 2 . . . . . . . . 4703 1 362 . 1 1 51 51 PRO HD3 H 1 4.13 0.02 . 2 . . . . . . . . 4703 1 363 . 1 1 52 52 LYS H H 1 7.65 0.02 . 1 . . . . . . . . 4703 1 364 . 1 1 52 52 LYS HA H 1 4.02 0.02 . 1 . . . . . . . . 4703 1 365 . 1 1 52 52 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4703 1 366 . 1 1 52 52 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4703 1 367 . 1 1 52 52 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4703 1 368 . 1 1 52 52 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4703 1 369 . 1 1 52 52 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4703 1 370 . 1 1 52 52 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4703 1 371 . 1 1 52 52 LYS HE2 H 1 3.03 0.02 . 1 . . . . . . . . 4703 1 372 . 1 1 52 52 LYS HE3 H 1 3.03 0.02 . 1 . . . . . . . . 4703 1 373 . 1 1 52 52 LYS HZ1 H 1 7.60 0.02 . 1 . . . . . . . . 4703 1 374 . 1 1 52 52 LYS HZ2 H 1 7.60 0.02 . 1 . . . . . . . . 4703 1 375 . 1 1 52 52 LYS HZ3 H 1 7.60 0.02 . 1 . . . . . . . . 4703 1 376 . 1 1 53 53 GLN H H 1 7.26 0.02 . 1 . . . . . . . . 4703 1 377 . 1 1 53 53 GLN HA H 1 4.21 0.02 . 1 . . . . . . . . 4703 1 378 . 1 1 53 53 GLN HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4703 1 379 . 1 1 53 53 GLN HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4703 1 380 . 1 1 53 53 GLN HG2 H 1 2.45 0.02 . 1 . . . . . . . . 4703 1 381 . 1 1 53 53 GLN HG3 H 1 2.45 0.02 . 1 . . . . . . . . 4703 1 382 . 1 1 53 53 GLN HE21 H 1 7.20 0.02 . 2 . . . . . . . . 4703 1 383 . 1 1 53 53 GLN HE22 H 1 7.60 0.02 . 2 . . . . . . . . 4703 1 384 . 1 1 54 54 ASN H H 1 9.08 0.02 . 1 . . . . . . . . 4703 1 385 . 1 1 54 54 ASN HA H 1 4.28 0.02 . 1 . . . . . . . . 4703 1 386 . 1 1 54 54 ASN HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4703 1 387 . 1 1 54 54 ASN HB3 H 1 3.06 0.02 . 2 . . . . . . . . 4703 1 388 . 1 1 54 54 ASN HD21 H 1 7.05 0.02 . 2 . . . . . . . . 4703 1 389 . 1 1 54 54 ASN HD22 H 1 7.72 0.02 . 2 . . . . . . . . 4703 1 390 . 1 1 55 55 TRP H H 1 9.01 0.02 . 1 . . . . . . . . 4703 1 391 . 1 1 55 55 TRP HA H 1 4.34 0.02 . 1 . . . . . . . . 4703 1 392 . 1 1 55 55 TRP HB2 H 1 3.29 0.02 . 2 . . . . . . . . 4703 1 393 . 1 1 55 55 TRP HB3 H 1 3.59 0.02 . 2 . . . . . . . . 4703 1 394 . 1 1 55 55 TRP HD1 H 1 7.70 0.02 . 1 . . . . . . . . 4703 1 395 . 1 1 55 55 TRP HE1 H 1 10.02 0.02 . 1 . . . . . . . . 4703 1 396 . 1 1 55 55 TRP HE3 H 1 7.37 0.02 . 1 . . . . . . . . 4703 1 397 . 1 1 55 55 TRP HZ2 H 1 7.43 0.02 . 1 . . . . . . . . 4703 1 398 . 1 1 55 55 TRP HZ3 H 1 6.50 0.02 . 1 . . . . . . . . 4703 1 399 . 1 1 55 55 TRP HH2 H 1 6.93 0.02 . 1 . . . . . . . . 4703 1 400 . 1 1 56 56 VAL H H 1 6.00 0.02 . 1 . . . . . . . . 4703 1 401 . 1 1 56 56 VAL HA H 1 2.85 0.02 . 1 . . . . . . . . 4703 1 402 . 1 1 56 56 VAL HB H 1 1.82 0.02 . 1 . . . . . . . . 4703 1 403 . 1 1 56 56 VAL HG11 H 1 -0.64 0.02 . 2 . . . . . . . . 4703 1 404 . 1 1 56 56 VAL HG12 H 1 -0.64 0.02 . 2 . . . . . . . . 4703 1 405 . 1 1 56 56 VAL HG13 H 1 -0.64 0.02 . 2 . . . . . . . . 4703 1 406 . 1 1 56 56 VAL HG21 H 1 0.36 0.02 . 2 . . . . . . . . 4703 1 407 . 1 1 56 56 VAL HG22 H 1 0.36 0.02 . 2 . . . . . . . . 4703 1 408 . 1 1 56 56 VAL HG23 H 1 0.36 0.02 . 2 . . . . . . . . 4703 1 409 . 1 1 57 57 LYS H H 1 7.48 0.02 . 1 . . . . . . . . 4703 1 410 . 1 1 57 57 LYS HA H 1 3.69 0.02 . 1 . . . . . . . . 4703 1 411 . 1 1 57 57 LYS HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4703 1 412 . 1 1 57 57 LYS HB3 H 1 1.76 0.02 . 1 . . . . . . . . 4703 1 413 . 1 1 57 57 LYS HG2 H 1 1.29 0.02 . 2 . . . . . . . . 4703 1 414 . 1 1 57 57 LYS HG3 H 1 1.45 0.02 . 2 . . . . . . . . 4703 1 415 . 1 1 57 57 LYS HD2 H 1 1.59 0.02 . 1 . . . . . . . . 4703 1 416 . 1 1 57 57 LYS HD3 H 1 1.59 0.02 . 1 . . . . . . . . 4703 1 417 . 1 1 57 57 LYS HE2 H 1 2.88 0.02 . 1 . . . . . . . . 4703 1 418 . 1 1 57 57 LYS HE3 H 1 2.88 0.02 . 1 . . . . . . . . 4703 1 419 . 1 1 57 57 LYS HZ1 H 1 7.45 0.02 . 1 . . . . . . . . 4703 1 420 . 1 1 57 57 LYS HZ2 H 1 7.45 0.02 . 1 . . . . . . . . 4703 1 421 . 1 1 57 57 LYS HZ3 H 1 7.45 0.02 . 1 . . . . . . . . 4703 1 422 . 1 1 58 58 ARG H H 1 8.15 0.02 . 1 . . . . . . . . 4703 1 423 . 1 1 58 58 ARG HA H 1 4.04 0.02 . 1 . . . . . . . . 4703 1 424 . 1 1 58 58 ARG HB2 H 1 1.91 0.02 . 1 . . . . . . . . 4703 1 425 . 1 1 58 58 ARG HB3 H 1 1.91 0.02 . 1 . . . . . . . . 4703 1 426 . 1 1 58 58 ARG HG2 H 1 1.64 0.02 . 1 . . . . . . . . 4703 1 427 . 1 1 58 58 ARG HG3 H 1 1.64 0.02 . 1 . . . . . . . . 4703 1 428 . 1 1 58 58 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 429 . 1 1 58 58 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 430 . 1 1 58 58 ARG HE H 1 7.31 0.02 . 1 . . . . . . . . 4703 1 431 . 1 1 59 59 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 4703 1 432 . 1 1 59 59 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4703 1 433 . 1 1 59 59 ALA HB1 H 1 1.47 0.02 . 1 . . . . . . . . 4703 1 434 . 1 1 59 59 ALA HB2 H 1 1.47 0.02 . 1 . . . . . . . . 4703 1 435 . 1 1 59 59 ALA HB3 H 1 1.47 0.02 . 1 . . . . . . . . 4703 1 436 . 1 1 60 60 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 4703 1 437 . 1 1 60 60 VAL HA H 1 3.10 0.02 . 1 . . . . . . . . 4703 1 438 . 1 1 60 60 VAL HB H 1 1.81 0.02 . 1 . . . . . . . . 4703 1 439 . 1 1 60 60 VAL HG11 H 1 0.37 0.02 . 2 . . . . . . . . 4703 1 440 . 1 1 60 60 VAL HG12 H 1 0.37 0.02 . 2 . . . . . . . . 4703 1 441 . 1 1 60 60 VAL HG13 H 1 0.37 0.02 . 2 . . . . . . . . 4703 1 442 . 1 1 60 60 VAL HG21 H 1 0.38 0.02 . 2 . . . . . . . . 4703 1 443 . 1 1 60 60 VAL HG22 H 1 0.38 0.02 . 2 . . . . . . . . 4703 1 444 . 1 1 60 60 VAL HG23 H 1 0.38 0.02 . 2 . . . . . . . . 4703 1 445 . 1 1 61 61 ASN H H 1 7.99 0.02 . 1 . . . . . . . . 4703 1 446 . 1 1 61 61 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4703 1 447 . 1 1 61 61 ASN HB2 H 1 2.84 0.02 . 2 . . . . . . . . 4703 1 448 . 1 1 61 61 ASN HB3 H 1 2.90 0.02 . 2 . . . . . . . . 4703 1 449 . 1 1 61 61 ASN HD21 H 1 6.81 0.02 . 2 . . . . . . . . 4703 1 450 . 1 1 61 61 ASN HD22 H 1 7.55 0.02 . 2 . . . . . . . . 4703 1 451 . 1 1 62 62 LEU H H 1 8.07 0.02 . 1 . . . . . . . . 4703 1 452 . 1 1 62 62 LEU HA H 1 4.15 0.02 . 1 . . . . . . . . 4703 1 453 . 1 1 62 62 LEU HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4703 1 454 . 1 1 62 62 LEU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4703 1 455 . 1 1 62 62 LEU HG H 1 1.66 0.02 . 1 . . . . . . . . 4703 1 456 . 1 1 62 62 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 457 . 1 1 62 62 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 458 . 1 1 62 62 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 459 . 1 1 62 62 LEU HD21 H 1 0.95 0.02 . 2 . . . . . . . . 4703 1 460 . 1 1 62 62 LEU HD22 H 1 0.95 0.02 . 2 . . . . . . . . 4703 1 461 . 1 1 62 62 LEU HD23 H 1 0.95 0.02 . 2 . . . . . . . . 4703 1 462 . 1 1 63 63 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 4703 1 463 . 1 1 63 63 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 4703 1 464 . 1 1 63 63 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4703 1 465 . 1 1 63 63 LEU HB3 H 1 2.07 0.02 . 2 . . . . . . . . 4703 1 466 . 1 1 63 63 LEU HG H 1 1.86 0.02 . 1 . . . . . . . . 4703 1 467 . 1 1 63 63 LEU HD11 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 468 . 1 1 63 63 LEU HD12 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 469 . 1 1 63 63 LEU HD13 H 1 0.93 0.02 . 2 . . . . . . . . 4703 1 470 . 1 1 63 63 LEU HD21 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 471 . 1 1 63 63 LEU HD22 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 472 . 1 1 63 63 LEU HD23 H 1 1.01 0.02 . 2 . . . . . . . . 4703 1 473 . 1 1 64 64 SER H H 1 8.12 0.02 . 1 . . . . . . . . 4703 1 474 . 1 1 64 64 SER HA H 1 4.54 0.02 . 1 . . . . . . . . 4703 1 475 . 1 1 64 64 SER HB2 H 1 4.07 0.02 . 2 . . . . . . . . 4703 1 476 . 1 1 64 64 SER HB3 H 1 4.15 0.02 . 2 . . . . . . . . 4703 1 477 . 1 1 65 65 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 4703 1 478 . 1 1 65 65 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4703 1 479 . 1 1 65 65 LEU HB2 H 1 1.85 0.02 . 1 . . . . . . . . 4703 1 480 . 1 1 65 65 LEU HB3 H 1 1.85 0.02 . 1 . . . . . . . . 4703 1 481 . 1 1 65 65 LEU HG H 1 1.65 0.02 . 1 . . . . . . . . 4703 1 482 . 1 1 65 65 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4703 1 483 . 1 1 65 65 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4703 1 484 . 1 1 65 65 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4703 1 485 . 1 1 65 65 LEU HD21 H 1 0.96 0.02 . 2 . . . . . . . . 4703 1 486 . 1 1 65 65 LEU HD22 H 1 0.96 0.02 . 2 . . . . . . . . 4703 1 487 . 1 1 65 65 LEU HD23 H 1 0.96 0.02 . 2 . . . . . . . . 4703 1 488 . 1 1 66 66 ARG H H 1 7.88 0.02 . 1 . . . . . . . . 4703 1 489 . 1 1 66 66 ARG HA H 1 4.35 0.02 . 1 . . . . . . . . 4703 1 490 . 1 1 66 66 ARG HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4703 1 491 . 1 1 66 66 ARG HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4703 1 492 . 1 1 66 66 ARG HG2 H 1 1.74 0.02 . 2 . . . . . . . . 4703 1 493 . 1 1 66 66 ARG HG3 H 1 1.83 0.02 . 2 . . . . . . . . 4703 1 494 . 1 1 66 66 ARG HD2 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 495 . 1 1 66 66 ARG HD3 H 1 3.26 0.02 . 1 . . . . . . . . 4703 1 496 . 1 1 66 66 ARG HE H 1 7.25 0.02 . 1 . . . . . . . . 4703 1 497 . 1 1 67 67 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 4703 1 498 . 1 1 67 67 VAL HA H 1 4.15 0.02 . 1 . . . . . . . . 4703 1 499 . 1 1 67 67 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 4703 1 500 . 1 1 67 67 VAL HG11 H 1 0.99 0.02 . 2 . . . . . . . . 4703 1 501 . 1 1 67 67 VAL HG12 H 1 0.99 0.02 . 2 . . . . . . . . 4703 1 502 . 1 1 67 67 VAL HG13 H 1 0.99 0.02 . 2 . . . . . . . . 4703 1 503 . 1 1 67 67 VAL HG21 H 1 1.03 0.02 . 2 . . . . . . . . 4703 1 504 . 1 1 67 67 VAL HG22 H 1 1.03 0.02 . 2 . . . . . . . . 4703 1 505 . 1 1 67 67 VAL HG23 H 1 1.03 0.02 . 2 . . . . . . . . 4703 1 506 . 1 1 68 68 LYS H H 1 8.17 0.02 . 1 . . . . . . . . 4703 1 507 . 1 1 68 68 LYS HA H 1 4.33 0.02 . 1 . . . . . . . . 4703 1 508 . 1 1 68 68 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4703 1 509 . 1 1 68 68 LYS HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4703 1 510 . 1 1 68 68 LYS HG2 H 1 1.52 0.02 . 2 . . . . . . . . 4703 1 511 . 1 1 68 68 LYS HG3 H 1 1.47 0.02 . 2 . . . . . . . . 4703 1 512 . 1 1 68 68 LYS HD2 H 1 1.73 0.02 . 4 . . . . . . . . 4703 1 513 . 1 1 68 68 LYS HD3 H 1 1.73 0.02 . 4 . . . . . . . . 4703 1 514 . 1 1 68 68 LYS HE2 H 1 3.03 0.02 . 4 . . . . . . . . 4703 1 515 . 1 1 68 68 LYS HE3 H 1 3.03 0.02 . 4 . . . . . . . . 4703 1 516 . 1 1 68 68 LYS HZ1 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 517 . 1 1 68 68 LYS HZ2 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 518 . 1 1 68 68 LYS HZ3 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 519 . 1 1 69 69 LYS H H 1 8.26 0.02 . 1 . . . . . . . . 4703 1 520 . 1 1 69 69 LYS HA H 1 4.35 0.02 . 1 . . . . . . . . 4703 1 521 . 1 1 69 69 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4703 1 522 . 1 1 69 69 LYS HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4703 1 523 . 1 1 69 69 LYS HG2 H 1 1.40 0.02 . 2 . . . . . . . . 4703 1 524 . 1 1 69 69 LYS HG3 H 1 1.50 0.02 . 2 . . . . . . . . 4703 1 525 . 1 1 69 69 LYS HD2 H 1 1.73 0.02 . 4 . . . . . . . . 4703 1 526 . 1 1 69 69 LYS HD3 H 1 1.73 0.02 . 4 . . . . . . . . 4703 1 527 . 1 1 69 69 LYS HE2 H 1 3.03 0.02 . 4 . . . . . . . . 4703 1 528 . 1 1 69 69 LYS HE3 H 1 3.03 0.02 . 4 . . . . . . . . 4703 1 529 . 1 1 69 69 LYS HZ1 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 530 . 1 1 69 69 LYS HZ2 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 531 . 1 1 69 69 LYS HZ3 H 1 7.52 0.02 . 5 . . . . . . . . 4703 1 532 . 1 1 70 70 MET H H 1 8.22 0.02 . 1 . . . . . . . . 4703 1 533 . 1 1 70 70 MET HA H 1 4.46 0.02 . 1 . . . . . . . . 4703 1 534 . 1 1 70 70 MET HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4703 1 535 . 1 1 70 70 MET HB3 H 1 2.18 0.02 . 2 . . . . . . . . 4703 1 536 . 1 1 70 70 MET HG2 H 1 2.64 0.02 . 1 . . . . . . . . 4703 1 537 . 1 1 70 70 MET HG3 H 1 2.64 0.02 . 1 . . . . . . . . 4703 1 stop_ save_