data_4496 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4496 _Entry.Title ; Solution nmr structure of the mitochondrial protein import receptor Tom20 from rat in a complex with a presequence peptide derived from rat aldehyde dehydrogenase (ALDH) ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-04-24 _Entry.Accession_date 1999-12-06 _Entry.Last_release_date 2000-03-23 _Entry.Original_release_date 2000-03-23 _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 Y. Abe . . . 4496 2 T. Shodai . . . 4496 3 T. Muto . . . 4496 4 K. Mihara . . . 4496 5 H. Torii . . . 4496 6 S. Nishikawa . . . 4496 7 T. Endo . . . 4496 8 D. Kohda . . . 4496 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4496 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 711 4496 '13C chemical shifts' 416 4496 '15N chemical shifts' 101 4496 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 . . 2000-03-23 1999-04-24 original author . 4496 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4496 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20185067 _Citation.DOI . _Citation.PubMed_ID 10721992 _Citation.Full_citation . _Citation.Title ; Structure Basis of Presequence Recognition by the Mitochondrial Protein Import Receptor Tom20 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 100 _Citation.Journal_issue . _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 551 _Citation.Page_last 560 _Citation.Year 2000 _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 Y. Abe . . . 4496 1 2 T. Shodai . . . 4496 1 3 T. Muto . . . 4496 1 4 K. Mihara . . . 4496 1 5 H. Torii . . . 4496 1 6 S. Nishikawa . . . 4496 1 7 T. Endo . . . 4496 1 8 D. Kohda . . . 4496 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'mitochondrial protein import across outer membrane' 4496 1 'receptor for presequences' 4496 1 'mitochondrial targeting signal' 4496 1 'presequence peptide' 4496 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tom20 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tom20 _Assembly.Entry_ID 4496 _Assembly.ID 1 _Assembly.Name Tom20 _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 'fully reduced' _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 4496 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 Tom20 1 $Tom20 . . . native . . . . . 4496 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1OM2 . 'A Chain A, Solution Nmr Structure Of The Mitochondrial Protein Import Receptor Tom20 From Rat In A Complex With A Presequence Peptide Derived From Rat Aldehyde Dehydrogenase (Aldh)' . . . . 4496 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID Tom20 system 4496 1 Tom20 abbreviation 4496 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tom20 _Entity.Sf_category entity _Entity.Sf_framecode Tom20 _Entity.Entry_ID 4496 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Tom20 _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 ; RAGLSKLPDLKDAEAVQKFF LEEIQLGEELLAQGDYEKGV DHLTNAIAVCGQPQQLLQVL QQTLPPPVFQMLLTKLPTIS QRIVSAQSLGEDDVE ; _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 95 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully reduced' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-11-24 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 1OM2 . "Solution Nmr Structure Of The Mitochondrial Protein Import Receptor Tom20 From Rat In A Complex With A Presequence Peptide Deri" . . . . . 100.00 95 100.00 100.00 6.18e-59 . . . . 4496 1 2 no PDB 2V1S . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex" . . . . . 71.58 73 100.00 100.00 2.76e-38 . . . . 4496 1 3 no PDB 2V1T . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex" . . . . . 71.58 73 98.53 98.53 2.79e-37 . . . . 4496 1 4 no PDB 3AWR . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: The Intermolecular Disulfide Bond Was Cleaved In The Crystal Of A Disu" . . . . . 71.58 73 100.00 100.00 2.76e-38 . . . . 4496 1 5 no PDB 3AX2 . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Disulfide- Tethered Complex With A Non-Optimized, Long Linker" . . . . . 71.58 73 100.00 100.00 2.76e-38 . . . . 4496 1 6 no PDB 3AX3 . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Complex (Form2) Between Tom20 And A Disulfide-Bridged Presequence Pe" . . . . . 71.58 73 98.53 98.53 4.64e-37 . . . . 4496 1 7 no PDB 3AX5 . "Crystal Structure Of Rat Tom20-Aldh Presequence Complex: A Complex (Form1) Between Tom20 And A Disulfide-Bridged Presequence Pe" . . . . . 71.58 73 100.00 100.00 2.76e-38 . . . . 4496 1 8 no DBJ BAA02804 . "mitochondrial outer membrane protein 19 [Homo sapiens]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 9 no DBJ BAA09714 . "mitochondrial precursor receptor [Rattus sp.]" . . . . . 100.00 145 100.00 100.00 8.28e-59 . . . . 4496 1 10 no DBJ BAB22444 . "unnamed protein product [Mus musculus]" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 11 no DBJ BAE24663 . "unnamed protein product [Mus musculus]" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 12 no DBJ BAE35669 . "unnamed protein product [Mus musculus]" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 13 no EMBL CAH91379 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 14 no GB AAB01506 . "rTOM20 [Rattus norvegicus]" . . . . . 100.00 145 98.95 98.95 6.13e-58 . . . . 4496 1 15 no GB AAB35420 . "mitochondrial protein import receptor, huMas20p [human, fibroblast, Peptide Mitochondrial, 145 aa]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 16 no GB AAF13354 . "outer membrane receptor Tom20 [Homo sapiens]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 17 no GB AAH00882 . "Translocase of outer mitochondrial membrane 20 homolog (yeast) [Homo sapiens]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 18 no GB AAH02087 . "Translocase of outer mitochondrial membrane 20 homolog (yeast) [Mus musculus]" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 19 no REF NP_001092653 . "mitochondrial import receptor subunit TOM20 homolog [Bos taurus]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 20 no REF NP_001127411 . "mitochondrial import receptor subunit TOM20 homolog [Pongo abelii]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 21 no REF NP_001232519 . "mitochondrial import receptor subunit TOM20 homolog [Taeniopygia guttata]" . . . . . 53.68 124 98.04 100.00 5.32e-26 . . . . 4496 1 22 no REF NP_001247980 . "translocase of outer mitochondrial membrane 20 homolog [Macaca mulatta]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 23 no REF NP_055580 . "mitochondrial import receptor subunit TOM20 homolog [Homo sapiens]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 24 no SP A6H7B1 . "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 25 no SP Q15388 . "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 26 no SP Q5RA31 . "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 27 no SP Q62760 . "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 28 no SP Q9DCC8 . "RecName: Full=Mitochondrial import receptor subunit TOM20 homolog; AltName: Full=Mitochondrial 20 kDa outer membrane protein; A" . . . . . 100.00 145 98.95 98.95 4.24e-58 . . . . 4496 1 29 no TPG DAA14365 . "TPA: mitochondrial import receptor subunit TOM20 homolog [Bos taurus]" . . . . . 100.00 145 97.89 98.95 1.99e-57 . . . . 4496 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Tom20 common 4496 1 Tom20 abbreviation 4496 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 . ARG . 4496 1 2 . ALA . 4496 1 3 . GLY . 4496 1 4 . LEU . 4496 1 5 . SER . 4496 1 6 . LYS . 4496 1 7 . LEU . 4496 1 8 . PRO . 4496 1 9 . ASP . 4496 1 10 . LEU . 4496 1 11 . LYS . 4496 1 12 . ASP . 4496 1 13 . ALA . 4496 1 14 . GLU . 4496 1 15 . ALA . 4496 1 16 . VAL . 4496 1 17 . GLN . 4496 1 18 . LYS . 4496 1 19 . PHE . 4496 1 20 . PHE . 4496 1 21 . LEU . 4496 1 22 . GLU . 4496 1 23 . GLU . 4496 1 24 . ILE . 4496 1 25 . GLN . 4496 1 26 . LEU . 4496 1 27 . GLY . 4496 1 28 . GLU . 4496 1 29 . GLU . 4496 1 30 . LEU . 4496 1 31 . LEU . 4496 1 32 . ALA . 4496 1 33 . GLN . 4496 1 34 . GLY . 4496 1 35 . ASP . 4496 1 36 . TYR . 4496 1 37 . GLU . 4496 1 38 . LYS . 4496 1 39 . GLY . 4496 1 40 . VAL . 4496 1 41 . ASP . 4496 1 42 . HIS . 4496 1 43 . LEU . 4496 1 44 . THR . 4496 1 45 . ASN . 4496 1 46 . ALA . 4496 1 47 . ILE . 4496 1 48 . ALA . 4496 1 49 . VAL . 4496 1 50 . CYS . 4496 1 51 . GLY . 4496 1 52 . GLN . 4496 1 53 . PRO . 4496 1 54 . GLN . 4496 1 55 . GLN . 4496 1 56 . LEU . 4496 1 57 . LEU . 4496 1 58 . GLN . 4496 1 59 . VAL . 4496 1 60 . LEU . 4496 1 61 . GLN . 4496 1 62 . GLN . 4496 1 63 . THR . 4496 1 64 . LEU . 4496 1 65 . PRO . 4496 1 66 . PRO . 4496 1 67 . PRO . 4496 1 68 . VAL . 4496 1 69 . PHE . 4496 1 70 . GLN . 4496 1 71 . MET . 4496 1 72 . LEU . 4496 1 73 . LEU . 4496 1 74 . THR . 4496 1 75 . LYS . 4496 1 76 . LEU . 4496 1 77 . PRO . 4496 1 78 . THR . 4496 1 79 . ILE . 4496 1 80 . SER . 4496 1 81 . GLN . 4496 1 82 . ARG . 4496 1 83 . ILE . 4496 1 84 . VAL . 4496 1 85 . SER . 4496 1 86 . ALA . 4496 1 87 . GLN . 4496 1 88 . SER . 4496 1 89 . LEU . 4496 1 90 . GLY . 4496 1 91 . GLU . 4496 1 92 . ASP . 4496 1 93 . ASP . 4496 1 94 . VAL . 4496 1 95 . GLU . 4496 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 . ARG 1 1 4496 1 . ALA 2 2 4496 1 . GLY 3 3 4496 1 . LEU 4 4 4496 1 . SER 5 5 4496 1 . LYS 6 6 4496 1 . LEU 7 7 4496 1 . PRO 8 8 4496 1 . ASP 9 9 4496 1 . LEU 10 10 4496 1 . LYS 11 11 4496 1 . ASP 12 12 4496 1 . ALA 13 13 4496 1 . GLU 14 14 4496 1 . ALA 15 15 4496 1 . VAL 16 16 4496 1 . GLN 17 17 4496 1 . LYS 18 18 4496 1 . PHE 19 19 4496 1 . PHE 20 20 4496 1 . LEU 21 21 4496 1 . GLU 22 22 4496 1 . GLU 23 23 4496 1 . ILE 24 24 4496 1 . GLN 25 25 4496 1 . LEU 26 26 4496 1 . GLY 27 27 4496 1 . GLU 28 28 4496 1 . GLU 29 29 4496 1 . LEU 30 30 4496 1 . LEU 31 31 4496 1 . ALA 32 32 4496 1 . GLN 33 33 4496 1 . GLY 34 34 4496 1 . ASP 35 35 4496 1 . TYR 36 36 4496 1 . GLU 37 37 4496 1 . LYS 38 38 4496 1 . GLY 39 39 4496 1 . VAL 40 40 4496 1 . ASP 41 41 4496 1 . HIS 42 42 4496 1 . LEU 43 43 4496 1 . THR 44 44 4496 1 . ASN 45 45 4496 1 . ALA 46 46 4496 1 . ILE 47 47 4496 1 . ALA 48 48 4496 1 . VAL 49 49 4496 1 . CYS 50 50 4496 1 . GLY 51 51 4496 1 . GLN 52 52 4496 1 . PRO 53 53 4496 1 . GLN 54 54 4496 1 . GLN 55 55 4496 1 . LEU 56 56 4496 1 . LEU 57 57 4496 1 . GLN 58 58 4496 1 . VAL 59 59 4496 1 . LEU 60 60 4496 1 . GLN 61 61 4496 1 . GLN 62 62 4496 1 . THR 63 63 4496 1 . LEU 64 64 4496 1 . PRO 65 65 4496 1 . PRO 66 66 4496 1 . PRO 67 67 4496 1 . VAL 68 68 4496 1 . PHE 69 69 4496 1 . GLN 70 70 4496 1 . MET 71 71 4496 1 . LEU 72 72 4496 1 . LEU 73 73 4496 1 . THR 74 74 4496 1 . LYS 75 75 4496 1 . LEU 76 76 4496 1 . PRO 77 77 4496 1 . THR 78 78 4496 1 . ILE 79 79 4496 1 . SER 80 80 4496 1 . GLN 81 81 4496 1 . ARG 82 82 4496 1 . ILE 83 83 4496 1 . VAL 84 84 4496 1 . SER 85 85 4496 1 . ALA 86 86 4496 1 . GLN 87 87 4496 1 . SER 88 88 4496 1 . LEU 89 89 4496 1 . GLY 90 90 4496 1 . GLU 91 91 4496 1 . ASP 92 92 4496 1 . ASP 93 93 4496 1 . VAL 94 94 4496 1 . GLU 95 95 4496 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 4496 _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 $Tom20 . 10116 organism . 'Rattus norvegicus' rat . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . mitochondria . . 'mitochondrial outer membrane' . . . . . . . . 4496 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 4496 _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 $Tom20 . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . plasmid . . . . . . . . . 4496 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4496 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 0.5 mM For structure determination 1 mM for 1H-15N heteronuclear experiments 0.2 mM for titration experiments ; _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 Tom20 '[U-13C; U-15N]' . . 1 $Tom20 . . 0.5 . . mM . . . . 4496 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4496 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'Sample prepared in D2O' 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 6.8 . n/a 4496 1 temperature 303 . K 4496 1 'ionic strength' 0.02 . M 4496 1 pressure 1 . atm 4496 1 stop_ save_ save_sample_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_2 _Sample_condition_list.Entry_ID 4496 _Sample_condition_list.ID 2 _Sample_condition_list.Details 'Sample prepared in H2O' 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 5.4 . n/a 4496 2 temperature 303 . K 4496 2 'ionic strength' 0.02 . M 4496 2 pressure 1 . atm 4496 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4496 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4496 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4496 _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_1 Bruker DMX . 600 . . . 4496 1 2 NMR_spectrometer_2 Bruker DMX . 750 . . . 4496 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 4496 _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 'HNCA, HN(CO)CA' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 2 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 3 HNCACB . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 4 HBHA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 5 'C(CO)NH-TOCSY HC(CO)NH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 6 'HCCH-COSY, HCCH-TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 7 '15N-resolved NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 8 '15N-resolved TOCSY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 9 NOESY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 10 TOCSY . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 11 HNHA . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 12 '{1H}-15N NOE' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 13 '3D F1 13C-filtered-F3 13C-resolved NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 1 14 '2D F1/F2 13C-filtered NOESY' . . . . . . . . . . . 1 $sample_1 . . . . . . . . . . . . . . . . . . . . . . . . . . 4496 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 4496 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 'HNCA, HN(CO)CA' _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 4496 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCA(CO)NH _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 4496 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HBHA(CO)NH _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 'C(CO)NH-TOCSY HC(CO)NH-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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'HCCH-COSY, HCCH-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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '15N-resolved 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_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '15N-resolved 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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 9 _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_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 10 _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HNHA _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '{1H}-15N NOE' _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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name '3D F1 13C-filtered-F3 13C-resolved 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_ save_NMR_spec_expt__0_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4496 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name '2D F1/F2 13C-filtered 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_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4496 _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 DSS 'methyl protons' . . . . ppm 0.0 internal direct . internal . . 1 $entry_citation . . 1 $entry_citation 4496 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 4496 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 4496 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4496 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 . 4496 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 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 4496 1 2 . 1 1 1 1 ARG HA H 1 4.01 0.01 . 1 . . . . . . . . 4496 1 3 . 1 1 1 1 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 4496 1 4 . 1 1 1 1 ARG HB2 H 1 1.92 0.01 . 1 . . . . . . . . 4496 1 5 . 1 1 1 1 ARG HB3 H 1 1.92 0.01 . 1 . . . . . . . . 4496 1 6 . 1 1 1 1 ARG CG C 13 26.3 0.2 . 1 . . . . . . . . 4496 1 7 . 1 1 1 1 ARG HG2 H 1 1.67 0.01 . 1 . . . . . . . . 4496 1 8 . 1 1 1 1 ARG HG3 H 1 1.67 0.01 . 1 . . . . . . . . 4496 1 9 . 1 1 1 1 ARG CD C 13 43.0 0.2 . 1 . . . . . . . . 4496 1 10 . 1 1 1 1 ARG HD2 H 1 3.19 0.01 . 1 . . . . . . . . 4496 1 11 . 1 1 1 1 ARG HD3 H 1 3.19 0.01 . 1 . . . . . . . . 4496 1 12 . 1 1 2 2 ALA N N 15 127.1 0.1 . 1 . . . . . . . . 4496 1 13 . 1 1 2 2 ALA H H 1 8.79 0.01 . 1 . . . . . . . . 4496 1 14 . 1 1 2 2 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4496 1 15 . 1 1 2 2 ALA HA H 1 4.37 0.01 . 1 . . . . . . . . 4496 1 16 . 1 1 2 2 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4496 1 17 . 1 1 2 2 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4496 1 18 . 1 1 2 2 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4496 1 19 . 1 1 2 2 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4496 1 20 . 1 1 2 2 ALA C C 13 172.3 0.2 . 1 . . . . . . . . 4496 1 21 . 1 1 3 3 GLY N N 15 108.8 0.1 . 1 . . . . . . . . 4496 1 22 . 1 1 3 3 GLY H H 1 8.45 0.01 . 1 . . . . . . . . 4496 1 23 . 1 1 3 3 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 4496 1 24 . 1 1 3 3 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . 4496 1 25 . 1 1 3 3 GLY HA2 H 1 3.92 0.01 . 1 . . . . . . . . 4496 1 26 . 1 1 3 3 GLY C C 13 177.6 0.2 . 1 . . . . . . . . 4496 1 27 . 1 1 4 4 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4496 1 28 . 1 1 4 4 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 4496 1 29 . 1 1 4 4 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 4496 1 30 . 1 1 4 4 LEU HA H 1 4.37 0.01 . 1 . . . . . . . . 4496 1 31 . 1 1 4 4 LEU CB C 13 42.7 0.2 . 1 . . . . . . . . 4496 1 32 . 1 1 4 4 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 4496 1 33 . 1 1 4 4 LEU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 4496 1 34 . 1 1 4 4 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4496 1 35 . 1 1 4 4 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 4496 1 36 . 1 1 4 4 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 37 . 1 1 4 4 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 38 . 1 1 4 4 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 39 . 1 1 4 4 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 40 . 1 1 4 4 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 41 . 1 1 4 4 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 42 . 1 1 4 4 LEU CD1 C 13 23.4 0.2 . 1 . . . . . . . . 4496 1 43 . 1 1 4 4 LEU CD2 C 13 25.1 0.2 . 1 . . . . . . . . 4496 1 44 . 1 1 4 4 LEU C C 13 173.9 0.2 . 1 . . . . . . . . 4496 1 45 . 1 1 5 5 SER N N 15 117.1 0.1 . 1 . . . . . . . . 4496 1 46 . 1 1 5 5 SER H H 1 8.36 0.01 . 1 . . . . . . . . 4496 1 47 . 1 1 5 5 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4496 1 48 . 1 1 5 5 SER HA H 1 4.41 0.01 . 1 . . . . . . . . 4496 1 49 . 1 1 5 5 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4496 1 50 . 1 1 5 5 SER HB2 H 1 3.83 0.01 . 1 . . . . . . . . 4496 1 51 . 1 1 5 5 SER HB3 H 1 3.83 0.01 . 1 . . . . . . . . 4496 1 52 . 1 1 5 5 SER C C 13 177.4 0.2 . 1 . . . . . . . . 4496 1 53 . 1 1 6 6 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 4496 1 54 . 1 1 6 6 LYS H H 1 8.23 0.01 . 1 . . . . . . . . 4496 1 55 . 1 1 6 6 LYS CA C 13 55.9 0.2 . 1 . . . . . . . . 4496 1 56 . 1 1 6 6 LYS HA H 1 4.30 0.01 . 1 . . . . . . . . 4496 1 57 . 1 1 6 6 LYS CB C 13 33.4 0.2 . 1 . . . . . . . . 4496 1 58 . 1 1 6 6 LYS HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4496 1 59 . 1 1 6 6 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 4496 1 60 . 1 1 6 6 LYS CG C 13 26.8 0.2 . 1 . . . . . . . . 4496 1 61 . 1 1 6 6 LYS HG2 H 1 1.43 0.01 . 2 . . . . . . . . 4496 1 62 . 1 1 6 6 LYS HG3 H 1 1.68 0.01 . 2 . . . . . . . . 4496 1 63 . 1 1 6 6 LYS CD C 13 27.8 0.2 . 1 . . . . . . . . 4496 1 64 . 1 1 6 6 LYS HD2 H 1 1.69 0.01 . 2 . . . . . . . . 4496 1 65 . 1 1 6 6 LYS HD3 H 1 1.78 0.01 . 2 . . . . . . . . 4496 1 66 . 1 1 6 6 LYS CE C 13 43.4 0.2 . 1 . . . . . . . . 4496 1 67 . 1 1 6 6 LYS HE2 H 1 3.23 0.01 . 2 . . . . . . . . 4496 1 68 . 1 1 6 6 LYS HE3 H 1 3.02 0.01 . 2 . . . . . . . . 4496 1 69 . 1 1 6 6 LYS C C 13 174.1 0.2 . 1 . . . . . . . . 4496 1 70 . 1 1 7 7 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 4496 1 71 . 1 1 7 7 LEU H H 1 7.63 0.01 . 1 . . . . . . . . 4496 1 72 . 1 1 7 7 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 4496 1 73 . 1 1 7 7 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 4496 1 74 . 1 1 7 7 LEU CB C 13 40.0 0.2 . 1 . . . . . . . . 4496 1 75 . 1 1 7 7 LEU HB2 H 1 1.93 0.01 . 2 . . . . . . . . 4496 1 76 . 1 1 7 7 LEU HB3 H 1 1.45 0.01 . 2 . . . . . . . . 4496 1 77 . 1 1 7 7 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 4496 1 78 . 1 1 7 7 LEU HG H 1 2.02 0.01 . 1 . . . . . . . . 4496 1 79 . 1 1 7 7 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 80 . 1 1 7 7 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 81 . 1 1 7 7 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 82 . 1 1 7 7 LEU HD21 H 1 0.85 0.01 . 2 . . . . . . . . 4496 1 83 . 1 1 7 7 LEU HD22 H 1 0.85 0.01 . 2 . . . . . . . . 4496 1 84 . 1 1 7 7 LEU HD23 H 1 0.85 0.01 . 2 . . . . . . . . 4496 1 85 . 1 1 7 7 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 4496 1 86 . 1 1 7 7 LEU CD2 C 13 24.0 0.2 . 1 . . . . . . . . 4496 1 87 . 1 1 7 7 LEU C C 13 178.3 0.2 . 1 . . . . . . . . 4496 1 88 . 1 1 8 8 PRO CD C 13 51.0 0.2 . 1 . . . . . . . . 4496 1 89 . 1 1 8 8 PRO CA C 13 65.6 0.2 . 1 . . . . . . . . 4496 1 90 . 1 1 8 8 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 4496 1 91 . 1 1 8 8 PRO CB C 13 31.5 0.2 . 1 . . . . . . . . 4496 1 92 . 1 1 8 8 PRO HB2 H 1 1.85 0.01 . 2 . . . . . . . . 4496 1 93 . 1 1 8 8 PRO HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4496 1 94 . 1 1 8 8 PRO CG C 13 28.7 0.2 . 1 . . . . . . . . 4496 1 95 . 1 1 8 8 PRO HG2 H 1 2.10 0.01 . 2 . . . . . . . . 4496 1 96 . 1 1 8 8 PRO HG3 H 1 1.88 0.01 . 2 . . . . . . . . 4496 1 97 . 1 1 8 8 PRO HD2 H 1 3.54 0.01 . 2 . . . . . . . . 4496 1 98 . 1 1 8 8 PRO HD3 H 1 3.75 0.01 . 2 . . . . . . . . 4496 1 99 . 1 1 9 9 ASP N N 15 118.5 0.1 . 1 . . . . . . . . 4496 1 100 . 1 1 9 9 ASP H H 1 8.12 0.01 . 1 . . . . . . . . 4496 1 101 . 1 1 9 9 ASP CA C 13 54.0 0.2 . 1 . . . . . . . . 4496 1 102 . 1 1 9 9 ASP HA H 1 4.38 0.01 . 1 . . . . . . . . 4496 1 103 . 1 1 9 9 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 4496 1 104 . 1 1 9 9 ASP HB2 H 1 2.58 0.01 . 2 . . . . . . . . 4496 1 105 . 1 1 9 9 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 4496 1 106 . 1 1 9 9 ASP C C 13 175.0 0.2 . 1 . . . . . . . . 4496 1 107 . 1 1 10 10 LEU N N 15 124.8 0.1 . 1 . . . . . . . . 4496 1 108 . 1 1 10 10 LEU H H 1 8.03 0.01 . 1 . . . . . . . . 4496 1 109 . 1 1 10 10 LEU CA C 13 55.8 0.2 . 1 . . . . . . . . 4496 1 110 . 1 1 10 10 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 4496 1 111 . 1 1 10 10 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4496 1 112 . 1 1 10 10 LEU HB2 H 1 1.68 0.01 . 2 . . . . . . . . 4496 1 113 . 1 1 10 10 LEU HB3 H 1 1.45 0.01 . 2 . . . . . . . . 4496 1 114 . 1 1 10 10 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 4496 1 115 . 1 1 10 10 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 4496 1 116 . 1 1 10 10 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 117 . 1 1 10 10 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 118 . 1 1 10 10 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 119 . 1 1 10 10 LEU HD21 H 1 0.74 0.01 . 2 . . . . . . . . 4496 1 120 . 1 1 10 10 LEU HD22 H 1 0.74 0.01 . 2 . . . . . . . . 4496 1 121 . 1 1 10 10 LEU HD23 H 1 0.74 0.01 . 2 . . . . . . . . 4496 1 122 . 1 1 10 10 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4496 1 123 . 1 1 10 10 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 4496 1 124 . 1 1 10 10 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 4496 1 125 . 1 1 11 11 LYS N N 15 117.8 0.1 . 1 . . . . . . . . 4496 1 126 . 1 1 11 11 LYS H H 1 8.21 0.01 . 1 . . . . . . . . 4496 1 127 . 1 1 11 11 LYS CA C 13 57.1 0.2 . 1 . . . . . . . . 4496 1 128 . 1 1 11 11 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 4496 1 129 . 1 1 11 11 LYS CB C 13 32.3 0.2 . 1 . . . . . . . . 4496 1 130 . 1 1 11 11 LYS HB2 H 1 1.81 0.01 . 2 . . . . . . . . 4496 1 131 . 1 1 11 11 LYS HB3 H 1 1.67 0.01 . 2 . . . . . . . . 4496 1 132 . 1 1 11 11 LYS CG C 13 25.1 0.2 . 1 . . . . . . . . 4496 1 133 . 1 1 11 11 LYS HG2 H 1 1.40 0.01 . 1 . . . . . . . . 4496 1 134 . 1 1 11 11 LYS HG3 H 1 1.40 0.01 . 1 . . . . . . . . 4496 1 135 . 1 1 11 11 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 4496 1 136 . 1 1 11 11 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 4496 1 137 . 1 1 11 11 LYS HD3 H 1 1.66 0.01 . 1 . . . . . . . . 4496 1 138 . 1 1 11 11 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4496 1 139 . 1 1 11 11 LYS HE2 H 1 2.98 0.01 . 1 . . . . . . . . 4496 1 140 . 1 1 11 11 LYS HE3 H 1 2.98 0.01 . 1 . . . . . . . . 4496 1 141 . 1 1 11 11 LYS C C 13 177.7 0.2 . 1 . . . . . . . . 4496 1 142 . 1 1 12 12 ASP N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 143 . 1 1 12 12 ASP H H 1 7.73 0.01 . 1 . . . . . . . . 4496 1 144 . 1 1 12 12 ASP CA C 13 52.7 0.2 . 1 . . . . . . . . 4496 1 145 . 1 1 12 12 ASP HA H 1 4.70 0.01 . 1 . . . . . . . . 4496 1 146 . 1 1 12 12 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4496 1 147 . 1 1 12 12 ASP HB2 H 1 2.60 0.01 . 2 . . . . . . . . 4496 1 148 . 1 1 12 12 ASP HB3 H 1 3.07 0.01 . 2 . . . . . . . . 4496 1 149 . 1 1 12 12 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 150 . 1 1 13 13 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 4496 1 151 . 1 1 13 13 ALA H H 1 8.35 0.01 . 1 . . . . . . . . 4496 1 152 . 1 1 13 13 ALA CA C 13 55.6 0.2 . 1 . . . . . . . . 4496 1 153 . 1 1 13 13 ALA HA H 1 4.00 0.01 . 1 . . . . . . . . 4496 1 154 . 1 1 13 13 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 4496 1 155 . 1 1 13 13 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 4496 1 156 . 1 1 13 13 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 4496 1 157 . 1 1 13 13 ALA CB C 13 18.7 0.2 . 1 . . . . . . . . 4496 1 158 . 1 1 13 13 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 4496 1 159 . 1 1 14 14 GLU N N 15 118.3 0.1 . 1 . . . . . . . . 4496 1 160 . 1 1 14 14 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 4496 1 161 . 1 1 14 14 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4496 1 162 . 1 1 14 14 GLU HA H 1 4.08 0.01 . 1 . . . . . . . . 4496 1 163 . 1 1 14 14 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 4496 1 164 . 1 1 14 14 GLU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4496 1 165 . 1 1 14 14 GLU HB3 H 1 2.40 0.01 . 2 . . . . . . . . 4496 1 166 . 1 1 14 14 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4496 1 167 . 1 1 14 14 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 4496 1 168 . 1 1 14 14 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 4496 1 169 . 1 1 14 14 GLU C C 13 180.3 0.2 . 1 . . . . . . . . 4496 1 170 . 1 1 15 15 ALA N N 15 123.3 0.1 . 1 . . . . . . . . 4496 1 171 . 1 1 15 15 ALA H H 1 7.91 0.01 . 1 . . . . . . . . 4496 1 172 . 1 1 15 15 ALA CA C 13 54.7 0.2 . 1 . . . . . . . . 4496 1 173 . 1 1 15 15 ALA HA H 1 4.16 0.01 . 1 . . . . . . . . 4496 1 174 . 1 1 15 15 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 175 . 1 1 15 15 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 176 . 1 1 15 15 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 177 . 1 1 15 15 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4496 1 178 . 1 1 15 15 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 4496 1 179 . 1 1 16 16 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 180 . 1 1 16 16 VAL H H 1 8.35 0.01 . 1 . . . . . . . . 4496 1 181 . 1 1 16 16 VAL CA C 13 67.4 0.2 . 1 . . . . . . . . 4496 1 182 . 1 1 16 16 VAL HA H 1 3.58 0.01 . 1 . . . . . . . . 4496 1 183 . 1 1 16 16 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 4496 1 184 . 1 1 16 16 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 4496 1 185 . 1 1 16 16 VAL HG11 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 186 . 1 1 16 16 VAL HG12 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 187 . 1 1 16 16 VAL HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 188 . 1 1 16 16 VAL HG21 H 1 1.09 0.01 . 2 . . . . . . . . 4496 1 189 . 1 1 16 16 VAL HG22 H 1 1.09 0.01 . 2 . . . . . . . . 4496 1 190 . 1 1 16 16 VAL HG23 H 1 1.09 0.01 . 2 . . . . . . . . 4496 1 191 . 1 1 16 16 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 4496 1 192 . 1 1 16 16 VAL CG2 C 13 24.3 0.2 . 1 . . . . . . . . 4496 1 193 . 1 1 16 16 VAL C C 13 181.4 0.2 . 1 . . . . . . . . 4496 1 194 . 1 1 17 17 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 4496 1 195 . 1 1 17 17 GLN H H 1 8.07 0.01 . 1 . . . . . . . . 4496 1 196 . 1 1 17 17 GLN CA C 13 59.5 0.2 . 1 . . . . . . . . 4496 1 197 . 1 1 17 17 GLN HA H 1 4.11 0.01 . 1 . . . . . . . . 4496 1 198 . 1 1 17 17 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 4496 1 199 . 1 1 17 17 GLN HB2 H 1 2.24 0.01 . 2 . . . . . . . . 4496 1 200 . 1 1 17 17 GLN HB3 H 1 2.07 0.01 . 2 . . . . . . . . 4496 1 201 . 1 1 17 17 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 4496 1 202 . 1 1 17 17 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 203 . 1 1 17 17 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 204 . 1 1 17 17 GLN NE2 N 15 110.1 0.1 . 1 . . . . . . . . 4496 1 205 . 1 1 17 17 GLN HE21 H 1 6.77 0.01 . 2 . . . . . . . . 4496 1 206 . 1 1 17 17 GLN HE22 H 1 7.36 0.01 . 2 . . . . . . . . 4496 1 207 . 1 1 17 17 GLN C C 13 177.1 0.2 . 1 . . . . . . . . 4496 1 208 . 1 1 18 18 LYS N N 15 118.4 0.1 . 1 . . . . . . . . 4496 1 209 . 1 1 18 18 LYS H H 1 7.99 0.01 . 1 . . . . . . . . 4496 1 210 . 1 1 18 18 LYS CA C 13 59.9 0.2 . 1 . . . . . . . . 4496 1 211 . 1 1 18 18 LYS HA H 1 4.03 0.01 . 1 . . . . . . . . 4496 1 212 . 1 1 18 18 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4496 1 213 . 1 1 18 18 LYS HB2 H 1 1.96 0.01 . 1 . . . . . . . . 4496 1 214 . 1 1 18 18 LYS HB3 H 1 1.96 0.01 . 1 . . . . . . . . 4496 1 215 . 1 1 18 18 LYS CG C 13 25.9 0.2 . 1 . . . . . . . . 4496 1 216 . 1 1 18 18 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 4496 1 217 . 1 1 18 18 LYS HG3 H 1 1.62 0.01 . 2 . . . . . . . . 4496 1 218 . 1 1 18 18 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 4496 1 219 . 1 1 18 18 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 4496 1 220 . 1 1 18 18 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 4496 1 221 . 1 1 18 18 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4496 1 222 . 1 1 18 18 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4496 1 223 . 1 1 18 18 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4496 1 224 . 1 1 18 18 LYS C C 13 177.7 0.2 . 1 . . . . . . . . 4496 1 225 . 1 1 19 19 PHE N N 15 120.1 0.1 . 1 . . . . . . . . 4496 1 226 . 1 1 19 19 PHE H H 1 8.02 0.01 . 1 . . . . . . . . 4496 1 227 . 1 1 19 19 PHE CA C 13 61.3 0.2 . 1 . . . . . . . . 4496 1 228 . 1 1 19 19 PHE HA H 1 4.43 0.01 . 1 . . . . . . . . 4496 1 229 . 1 1 19 19 PHE CB C 13 40.0 0.2 . 1 . . . . . . . . 4496 1 230 . 1 1 19 19 PHE HB2 H 1 3.18 0.01 . 1 . . . . . . . . 4496 1 231 . 1 1 19 19 PHE HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4496 1 232 . 1 1 19 19 PHE HD1 H 1 7.28 0.01 . 1 . . . . . . . . 4496 1 233 . 1 1 19 19 PHE HD2 H 1 7.28 0.01 . 1 . . . . . . . . 4496 1 234 . 1 1 19 19 PHE HE1 H 1 7.23 0.01 . 1 . . . . . . . . 4496 1 235 . 1 1 19 19 PHE HE2 H 1 7.23 0.01 . 1 . . . . . . . . 4496 1 236 . 1 1 19 19 PHE CD1 C 13 132.7 0.2 . 1 . . . . . . . . 4496 1 237 . 1 1 19 19 PHE CE1 C 13 132.0 0.2 . 1 . . . . . . . . 4496 1 238 . 1 1 19 19 PHE CZ C 13 132.2 0.2 . 1 . . . . . . . . 4496 1 239 . 1 1 19 19 PHE HZ H 1 7.03 0.01 . 1 . . . . . . . . 4496 1 240 . 1 1 19 19 PHE C C 13 178.4 0.2 . 1 . . . . . . . . 4496 1 241 . 1 1 20 20 PHE N N 15 119.0 0.1 . 1 . . . . . . . . 4496 1 242 . 1 1 20 20 PHE H H 1 9.07 0.01 . 1 . . . . . . . . 4496 1 243 . 1 1 20 20 PHE CA C 13 62.5 0.2 . 1 . . . . . . . . 4496 1 244 . 1 1 20 20 PHE HA H 1 3.68 0.01 . 1 . . . . . . . . 4496 1 245 . 1 1 20 20 PHE CB C 13 39.2 0.2 . 1 . . . . . . . . 4496 1 246 . 1 1 20 20 PHE HB2 H 1 3.24 0.01 . 2 . . . . . . . . 4496 1 247 . 1 1 20 20 PHE HB3 H 1 3.40 0.01 . 2 . . . . . . . . 4496 1 248 . 1 1 20 20 PHE HD1 H 1 7.34 0.01 . 1 . . . . . . . . 4496 1 249 . 1 1 20 20 PHE HD2 H 1 7.34 0.01 . 1 . . . . . . . . 4496 1 250 . 1 1 20 20 PHE HE1 H 1 7.10 0.01 . 1 . . . . . . . . 4496 1 251 . 1 1 20 20 PHE HE2 H 1 7.10 0.01 . 1 . . . . . . . . 4496 1 252 . 1 1 20 20 PHE CD1 C 13 132.7 0.2 . 1 . . . . . . . . 4496 1 253 . 1 1 20 20 PHE CE1 C 13 130.9 0.2 . 1 . . . . . . . . 4496 1 254 . 1 1 20 20 PHE CZ C 13 129.3 0.2 . 1 . . . . . . . . 4496 1 255 . 1 1 20 20 PHE HZ H 1 7.04 0.01 . 1 . . . . . . . . 4496 1 256 . 1 1 20 20 PHE C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 257 . 1 1 21 21 LEU N N 15 116.9 0.1 . 1 . . . . . . . . 4496 1 258 . 1 1 21 21 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 4496 1 259 . 1 1 21 21 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 4496 1 260 . 1 1 21 21 LEU HA H 1 3.71 0.01 . 1 . . . . . . . . 4496 1 261 . 1 1 21 21 LEU CB C 13 41.9 0.2 . 1 . . . . . . . . 4496 1 262 . 1 1 21 21 LEU HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4496 1 263 . 1 1 21 21 LEU HB3 H 1 1.49 0.01 . 2 . . . . . . . . 4496 1 264 . 1 1 21 21 LEU CG C 13 27.5 0.2 . 1 . . . . . . . . 4496 1 265 . 1 1 21 21 LEU HG H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 266 . 1 1 21 21 LEU HD11 H 1 1.01 0.01 . 2 . . . . . . . . 4496 1 267 . 1 1 21 21 LEU HD12 H 1 1.01 0.01 . 2 . . . . . . . . 4496 1 268 . 1 1 21 21 LEU HD13 H 1 1.01 0.01 . 2 . . . . . . . . 4496 1 269 . 1 1 21 21 LEU HD21 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 270 . 1 1 21 21 LEU HD22 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 271 . 1 1 21 21 LEU HD23 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 272 . 1 1 21 21 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4496 1 273 . 1 1 21 21 LEU CD2 C 13 23.2 0.2 . 1 . . . . . . . . 4496 1 274 . 1 1 21 21 LEU C C 13 175.9 0.2 . 1 . . . . . . . . 4496 1 275 . 1 1 22 22 GLU N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 276 . 1 1 22 22 GLU H H 1 8.15 0.01 . 1 . . . . . . . . 4496 1 277 . 1 1 22 22 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 4496 1 278 . 1 1 22 22 GLU HA H 1 4.36 0.01 . 1 . . . . . . . . 4496 1 279 . 1 1 22 22 GLU CB C 13 28.9 0.2 . 1 . . . . . . . . 4496 1 280 . 1 1 22 22 GLU HB2 H 1 2.28 0.01 . 2 . . . . . . . . 4496 1 281 . 1 1 22 22 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 4496 1 282 . 1 1 22 22 GLU CG C 13 35.4 0.2 . 1 . . . . . . . . 4496 1 283 . 1 1 22 22 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 284 . 1 1 22 22 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 285 . 1 1 22 22 GLU C C 13 179.8 0.2 . 1 . . . . . . . . 4496 1 286 . 1 1 23 23 GLU N N 15 119.0 0.1 . 1 . . . . . . . . 4496 1 287 . 1 1 23 23 GLU H H 1 8.38 0.01 . 1 . . . . . . . . 4496 1 288 . 1 1 23 23 GLU CA C 13 59.1 0.2 . 1 . . . . . . . . 4496 1 289 . 1 1 23 23 GLU HA H 1 3.71 0.01 . 1 . . . . . . . . 4496 1 290 . 1 1 23 23 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 4496 1 291 . 1 1 23 23 GLU HB2 H 1 2.40 0.01 . 2 . . . . . . . . 4496 1 292 . 1 1 23 23 GLU HB3 H 1 1.45 0.01 . 2 . . . . . . . . 4496 1 293 . 1 1 23 23 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4496 1 294 . 1 1 23 23 GLU HG2 H 1 2.42 0.01 . 1 . . . . . . . . 4496 1 295 . 1 1 23 23 GLU HG3 H 1 2.42 0.01 . 1 . . . . . . . . 4496 1 296 . 1 1 23 23 GLU C C 13 179.4 0.2 . 1 . . . . . . . . 4496 1 297 . 1 1 24 24 ILE N N 15 119.1 0.1 . 1 . . . . . . . . 4496 1 298 . 1 1 24 24 ILE H H 1 8.05 0.01 . 1 . . . . . . . . 4496 1 299 . 1 1 24 24 ILE CA C 13 63.7 0.2 . 1 . . . . . . . . 4496 1 300 . 1 1 24 24 ILE HA H 1 3.63 0.01 . 1 . . . . . . . . 4496 1 301 . 1 1 24 24 ILE CB C 13 36.5 0.2 . 1 . . . . . . . . 4496 1 302 . 1 1 24 24 ILE HB H 1 1.39 0.01 . 1 . . . . . . . . 4496 1 303 . 1 1 24 24 ILE HG21 H 1 0.69 0.01 . 1 . . . . . . . . 4496 1 304 . 1 1 24 24 ILE HG22 H 1 0.69 0.01 . 1 . . . . . . . . 4496 1 305 . 1 1 24 24 ILE HG23 H 1 0.69 0.01 . 1 . . . . . . . . 4496 1 306 . 1 1 24 24 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 4496 1 307 . 1 1 24 24 ILE CG1 C 13 29.0 0.2 . 1 . . . . . . . . 4496 1 308 . 1 1 24 24 ILE HG12 H 1 1.09 0.01 . 2 . . . . . . . . 4496 1 309 . 1 1 24 24 ILE HG13 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 310 . 1 1 24 24 ILE HD11 H 1 0.53 0.01 . 1 . . . . . . . . 4496 1 311 . 1 1 24 24 ILE HD12 H 1 0.53 0.01 . 1 . . . . . . . . 4496 1 312 . 1 1 24 24 ILE HD13 H 1 0.53 0.01 . 1 . . . . . . . . 4496 1 313 . 1 1 24 24 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 4496 1 314 . 1 1 24 24 ILE C C 13 179.3 0.2 . 1 . . . . . . . . 4496 1 315 . 1 1 25 25 GLN N N 15 120.3 0.1 . 1 . . . . . . . . 4496 1 316 . 1 1 25 25 GLN H H 1 7.59 0.01 . 1 . . . . . . . . 4496 1 317 . 1 1 25 25 GLN CA C 13 59.6 0.2 . 1 . . . . . . . . 4496 1 318 . 1 1 25 25 GLN HA H 1 3.86 0.01 . 1 . . . . . . . . 4496 1 319 . 1 1 25 25 GLN CB C 13 28.4 0.2 . 1 . . . . . . . . 4496 1 320 . 1 1 25 25 GLN HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 321 . 1 1 25 25 GLN HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 322 . 1 1 25 25 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 4496 1 323 . 1 1 25 25 GLN HG2 H 1 2.38 0.01 . 2 . . . . . . . . 4496 1 324 . 1 1 25 25 GLN HG3 H 1 2.17 0.01 . 2 . . . . . . . . 4496 1 325 . 1 1 25 25 GLN NE2 N 15 110.6 0.1 . 1 . . . . . . . . 4496 1 326 . 1 1 25 25 GLN HE21 H 1 6.71 0.01 . 2 . . . . . . . . 4496 1 327 . 1 1 25 25 GLN HE22 H 1 7.28 0.01 . 2 . . . . . . . . 4496 1 328 . 1 1 25 25 GLN C C 13 176.9 0.2 . 1 . . . . . . . . 4496 1 329 . 1 1 26 26 LEU N N 15 120.3 0.1 . 1 . . . . . . . . 4496 1 330 . 1 1 26 26 LEU H H 1 8.19 0.01 . 1 . . . . . . . . 4496 1 331 . 1 1 26 26 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4496 1 332 . 1 1 26 26 LEU HA H 1 3.98 0.01 . 1 . . . . . . . . 4496 1 333 . 1 1 26 26 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4496 1 334 . 1 1 26 26 LEU HB2 H 1 1.27 0.01 . 2 . . . . . . . . 4496 1 335 . 1 1 26 26 LEU HB3 H 1 0.85 0.01 . 2 . . . . . . . . 4496 1 336 . 1 1 26 26 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4496 1 337 . 1 1 26 26 LEU HG H 1 1.17 0.01 . 1 . . . . . . . . 4496 1 338 . 1 1 26 26 LEU HD11 H 1 0.62 0.01 . 2 . . . . . . . . 4496 1 339 . 1 1 26 26 LEU HD12 H 1 0.62 0.01 . 2 . . . . . . . . 4496 1 340 . 1 1 26 26 LEU HD13 H 1 0.62 0.01 . 2 . . . . . . . . 4496 1 341 . 1 1 26 26 LEU HD21 H 1 0.38 0.01 . 2 . . . . . . . . 4496 1 342 . 1 1 26 26 LEU HD22 H 1 0.38 0.01 . 2 . . . . . . . . 4496 1 343 . 1 1 26 26 LEU HD23 H 1 0.38 0.01 . 2 . . . . . . . . 4496 1 344 . 1 1 26 26 LEU CD1 C 13 24.0 0.2 . 1 . . . . . . . . 4496 1 345 . 1 1 26 26 LEU CD2 C 13 24.0 0.2 . 1 . . . . . . . . 4496 1 346 . 1 1 26 26 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 4496 1 347 . 1 1 27 27 GLY N N 15 105.1 0.1 . 1 . . . . . . . . 4496 1 348 . 1 1 27 27 GLY H H 1 8.50 0.01 . 1 . . . . . . . . 4496 1 349 . 1 1 27 27 GLY CA C 13 48.6 0.2 . 1 . . . . . . . . 4496 1 350 . 1 1 27 27 GLY HA3 H 1 3.56 0.01 . 2 . . . . . . . . 4496 1 351 . 1 1 27 27 GLY HA2 H 1 3.93 0.01 . 2 . . . . . . . . 4496 1 352 . 1 1 27 27 GLY C C 13 179.3 0.2 . 1 . . . . . . . . 4496 1 353 . 1 1 28 28 GLU N N 15 118.8 0.1 . 1 . . . . . . . . 4496 1 354 . 1 1 28 28 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 4496 1 355 . 1 1 28 28 GLU CA C 13 59.5 0.2 . 1 . . . . . . . . 4496 1 356 . 1 1 28 28 GLU HA H 1 3.94 0.01 . 1 . . . . . . . . 4496 1 357 . 1 1 28 28 GLU CB C 13 28.1 0.2 . 1 . . . . . . . . 4496 1 358 . 1 1 28 28 GLU HB2 H 1 2.11 0.01 . 1 . . . . . . . . 4496 1 359 . 1 1 28 28 GLU HB3 H 1 2.11 0.01 . 1 . . . . . . . . 4496 1 360 . 1 1 28 28 GLU CG C 13 35.0 0.2 . 1 . . . . . . . . 4496 1 361 . 1 1 28 28 GLU HG2 H 1 2.32 0.01 . 1 . . . . . . . . 4496 1 362 . 1 1 28 28 GLU HG3 H 1 2.32 0.01 . 1 . . . . . . . . 4496 1 363 . 1 1 28 28 GLU C C 13 174.7 0.2 . 1 . . . . . . . . 4496 1 364 . 1 1 29 29 GLU N N 15 121.2 0.1 . 1 . . . . . . . . 4496 1 365 . 1 1 29 29 GLU H H 1 8.31 0.01 . 1 . . . . . . . . 4496 1 366 . 1 1 29 29 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 4496 1 367 . 1 1 29 29 GLU HA H 1 4.00 0.01 . 1 . . . . . . . . 4496 1 368 . 1 1 29 29 GLU CB C 13 28.7 0.2 . 1 . . . . . . . . 4496 1 369 . 1 1 29 29 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 4496 1 370 . 1 1 29 29 GLU HB3 H 1 2.24 0.01 . 2 . . . . . . . . 4496 1 371 . 1 1 29 29 GLU CG C 13 35.0 0.2 . 1 . . . . . . . . 4496 1 372 . 1 1 29 29 GLU HG2 H 1 2.49 0.01 . 1 . . . . . . . . 4496 1 373 . 1 1 29 29 GLU HG3 H 1 2.49 0.01 . 1 . . . . . . . . 4496 1 374 . 1 1 29 29 GLU C C 13 178.9 0.2 . 1 . . . . . . . . 4496 1 375 . 1 1 30 30 LEU N N 15 120.3 0.1 . 1 . . . . . . . . 4496 1 376 . 1 1 30 30 LEU H H 1 8.34 0.01 . 1 . . . . . . . . 4496 1 377 . 1 1 30 30 LEU CA C 13 58.2 0.2 . 1 . . . . . . . . 4496 1 378 . 1 1 30 30 LEU HA H 1 4.05 0.01 . 1 . . . . . . . . 4496 1 379 . 1 1 30 30 LEU CB C 13 40.7 0.2 . 1 . . . . . . . . 4496 1 380 . 1 1 30 30 LEU HB2 H 1 1.83 0.01 . 2 . . . . . . . . 4496 1 381 . 1 1 30 30 LEU HB3 H 1 1.60 0.01 . 2 . . . . . . . . 4496 1 382 . 1 1 30 30 LEU CG C 13 25.1 0.2 . 1 . . . . . . . . 4496 1 383 . 1 1 30 30 LEU HG H 1 1.60 0.01 . 1 . . . . . . . . 4496 1 384 . 1 1 30 30 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . 4496 1 385 . 1 1 30 30 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . 4496 1 386 . 1 1 30 30 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . 4496 1 387 . 1 1 30 30 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . 4496 1 388 . 1 1 30 30 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . 4496 1 389 . 1 1 30 30 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . 4496 1 390 . 1 1 30 30 LEU CD1 C 13 26.8 0.2 . 1 . . . . . . . . 4496 1 391 . 1 1 30 30 LEU CD2 C 13 22.9 0.2 . 1 . . . . . . . . 4496 1 392 . 1 1 30 30 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 4496 1 393 . 1 1 31 31 LEU N N 15 119.4 0.1 . 1 . . . . . . . . 4496 1 394 . 1 1 31 31 LEU H H 1 8.26 0.01 . 1 . . . . . . . . 4496 1 395 . 1 1 31 31 LEU CA C 13 58.7 0.2 . 1 . . . . . . . . 4496 1 396 . 1 1 31 31 LEU HA H 1 3.78 0.01 . 1 . . . . . . . . 4496 1 397 . 1 1 31 31 LEU CB C 13 41.4 0.2 . 1 . . . . . . . . 4496 1 398 . 1 1 31 31 LEU HB2 H 1 2.05 0.01 . 2 . . . . . . . . 4496 1 399 . 1 1 31 31 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 4496 1 400 . 1 1 31 31 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4496 1 401 . 1 1 31 31 LEU HG H 1 2.05 0.01 . 1 . . . . . . . . 4496 1 402 . 1 1 31 31 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 403 . 1 1 31 31 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 404 . 1 1 31 31 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . 4496 1 405 . 1 1 31 31 LEU HD21 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 406 . 1 1 31 31 LEU HD22 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 407 . 1 1 31 31 LEU HD23 H 1 0.83 0.01 . 2 . . . . . . . . 4496 1 408 . 1 1 31 31 LEU CD1 C 13 24.9 0.2 . 1 . . . . . . . . 4496 1 409 . 1 1 31 31 LEU CD2 C 13 26.9 0.2 . 1 . . . . . . . . 4496 1 410 . 1 1 31 31 LEU C C 13 180.1 0.2 . 1 . . . . . . . . 4496 1 411 . 1 1 32 32 ALA N N 15 122.2 0.1 . 1 . . . . . . . . 4496 1 412 . 1 1 32 32 ALA H H 1 7.95 0.01 . 1 . . . . . . . . 4496 1 413 . 1 1 32 32 ALA CA C 13 55.0 0.2 . 1 . . . . . . . . 4496 1 414 . 1 1 32 32 ALA HA H 1 4.15 0.01 . 1 . . . . . . . . 4496 1 415 . 1 1 32 32 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 416 . 1 1 32 32 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 417 . 1 1 32 32 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 4496 1 418 . 1 1 32 32 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4496 1 419 . 1 1 32 32 ALA C C 13 180.6 0.2 . 1 . . . . . . . . 4496 1 420 . 1 1 33 33 GLN N N 15 114.4 0.1 . 1 . . . . . . . . 4496 1 421 . 1 1 33 33 GLN H H 1 7.38 0.01 . 1 . . . . . . . . 4496 1 422 . 1 1 33 33 GLN CA C 13 55.5 0.2 . 1 . . . . . . . . 4496 1 423 . 1 1 33 33 GLN HA H 1 4.32 0.01 . 1 . . . . . . . . 4496 1 424 . 1 1 33 33 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 4496 1 425 . 1 1 33 33 GLN HB2 H 1 2.11 0.01 . 2 . . . . . . . . 4496 1 426 . 1 1 33 33 GLN HB3 H 1 2.28 0.01 . 2 . . . . . . . . 4496 1 427 . 1 1 33 33 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 4496 1 428 . 1 1 33 33 GLN HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4496 1 429 . 1 1 33 33 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4496 1 430 . 1 1 33 33 GLN NE2 N 15 111.1 0.1 . 1 . . . . . . . . 4496 1 431 . 1 1 33 33 GLN HE21 H 1 6.73 0.01 . 2 . . . . . . . . 4496 1 432 . 1 1 33 33 GLN HE22 H 1 7.40 0.01 . 2 . . . . . . . . 4496 1 433 . 1 1 33 33 GLN C C 13 179.2 0.2 . 1 . . . . . . . . 4496 1 434 . 1 1 34 34 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 4496 1 435 . 1 1 34 34 GLY H H 1 7.76 0.01 . 1 . . . . . . . . 4496 1 436 . 1 1 34 34 GLY CA C 13 44.9 0.2 . 1 . . . . . . . . 4496 1 437 . 1 1 34 34 GLY HA3 H 1 3.20 0.01 . 2 . . . . . . . . 4496 1 438 . 1 1 34 34 GLY HA2 H 1 4.07 0.01 . 2 . . . . . . . . 4496 1 439 . 1 1 34 34 GLY C C 13 176.3 0.2 . 1 . . . . . . . . 4496 1 440 . 1 1 35 35 ASP N N 15 122.6 0.1 . 1 . . . . . . . . 4496 1 441 . 1 1 35 35 ASP H H 1 8.00 0.01 . 1 . . . . . . . . 4496 1 442 . 1 1 35 35 ASP CA C 13 51.6 0.2 . 1 . . . . . . . . 4496 1 443 . 1 1 35 35 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4496 1 444 . 1 1 35 35 ASP CB C 13 39.2 0.2 . 1 . . . . . . . . 4496 1 445 . 1 1 35 35 ASP HB2 H 1 2.27 0.01 . 2 . . . . . . . . 4496 1 446 . 1 1 35 35 ASP HB3 H 1 2.96 0.01 . 2 . . . . . . . . 4496 1 447 . 1 1 35 35 ASP C C 13 173.2 0.2 . 1 . . . . . . . . 4496 1 448 . 1 1 36 36 TYR N N 15 120.4 0.1 . 1 . . . . . . . . 4496 1 449 . 1 1 36 36 TYR H H 1 7.29 0.01 . 1 . . . . . . . . 4496 1 450 . 1 1 36 36 TYR CA C 13 60.2 0.2 . 1 . . . . . . . . 4496 1 451 . 1 1 36 36 TYR HA H 1 4.20 0.01 . 1 . . . . . . . . 4496 1 452 . 1 1 36 36 TYR CB C 13 37.6 0.2 . 1 . . . . . . . . 4496 1 453 . 1 1 36 36 TYR HB2 H 1 2.97 0.01 . 2 . . . . . . . . 4496 1 454 . 1 1 36 36 TYR HB3 H 1 3.07 0.01 . 2 . . . . . . . . 4496 1 455 . 1 1 36 36 TYR HD1 H 1 7.03 0.01 . 1 . . . . . . . . 4496 1 456 . 1 1 36 36 TYR HD2 H 1 7.03 0.01 . 1 . . . . . . . . 4496 1 457 . 1 1 36 36 TYR HE1 H 1 6.92 0.01 . 1 . . . . . . . . 4496 1 458 . 1 1 36 36 TYR HE2 H 1 6.92 0.01 . 1 . . . . . . . . 4496 1 459 . 1 1 36 36 TYR CD1 C 13 132.2 0.2 . 1 . . . . . . . . 4496 1 460 . 1 1 36 36 TYR CE1 C 13 118.5 0.2 . 1 . . . . . . . . 4496 1 461 . 1 1 36 36 TYR C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 462 . 1 1 37 37 GLU N N 15 118.7 0.1 . 1 . . . . . . . . 4496 1 463 . 1 1 37 37 GLU H H 1 8.66 0.01 . 1 . . . . . . . . 4496 1 464 . 1 1 37 37 GLU CA C 13 60.3 0.2 . 1 . . . . . . . . 4496 1 465 . 1 1 37 37 GLU HA H 1 3.91 0.01 . 1 . . . . . . . . 4496 1 466 . 1 1 37 37 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 4496 1 467 . 1 1 37 37 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 468 . 1 1 37 37 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 469 . 1 1 37 37 GLU CG C 13 36.1 0.2 . 1 . . . . . . . . 4496 1 470 . 1 1 37 37 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 471 . 1 1 37 37 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 472 . 1 1 37 37 GLU C C 13 177.4 0.2 . 1 . . . . . . . . 4496 1 473 . 1 1 38 38 LYS N N 15 117.0 0.1 . 1 . . . . . . . . 4496 1 474 . 1 1 38 38 LYS H H 1 7.87 0.01 . 1 . . . . . . . . 4496 1 475 . 1 1 38 38 LYS CA C 13 58.9 0.2 . 1 . . . . . . . . 4496 1 476 . 1 1 38 38 LYS HA H 1 4.17 0.01 . 1 . . . . . . . . 4496 1 477 . 1 1 38 38 LYS CB C 13 33.3 0.2 . 1 . . . . . . . . 4496 1 478 . 1 1 38 38 LYS HB2 H 1 1.80 0.01 . 2 . . . . . . . . 4496 1 479 . 1 1 38 38 LYS HB3 H 1 1.69 0.01 . 2 . . . . . . . . 4496 1 480 . 1 1 38 38 LYS CG C 13 25.7 0.2 . 1 . . . . . . . . 4496 1 481 . 1 1 38 38 LYS HG2 H 1 1.44 0.01 . 2 . . . . . . . . 4496 1 482 . 1 1 38 38 LYS HG3 H 1 1.62 0.01 . 2 . . . . . . . . 4496 1 483 . 1 1 38 38 LYS CD C 13 28.7 0.2 . 1 . . . . . . . . 4496 1 484 . 1 1 38 38 LYS HD2 H 1 1.67 0.01 . 1 . . . . . . . . 4496 1 485 . 1 1 38 38 LYS HD3 H 1 1.67 0.01 . 1 . . . . . . . . 4496 1 486 . 1 1 38 38 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4496 1 487 . 1 1 38 38 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 4496 1 488 . 1 1 38 38 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 4496 1 489 . 1 1 38 38 LYS C C 13 178.1 0.2 . 1 . . . . . . . . 4496 1 490 . 1 1 39 39 GLY N N 15 107.3 0.1 . 1 . . . . . . . . 4496 1 491 . 1 1 39 39 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 4496 1 492 . 1 1 39 39 GLY CA C 13 49.1 0.2 . 1 . . . . . . . . 4496 1 493 . 1 1 39 39 GLY HA3 H 1 4.02 0.01 . 2 . . . . . . . . 4496 1 494 . 1 1 39 39 GLY HA2 H 1 3.69 0.01 . 2 . . . . . . . . 4496 1 495 . 1 1 39 39 GLY C C 13 180.0 0.2 . 1 . . . . . . . . 4496 1 496 . 1 1 40 40 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 497 . 1 1 40 40 VAL H H 1 8.60 0.01 . 1 . . . . . . . . 4496 1 498 . 1 1 40 40 VAL CA C 13 66.9 0.2 . 1 . . . . . . . . 4496 1 499 . 1 1 40 40 VAL HA H 1 3.63 0.01 . 1 . . . . . . . . 4496 1 500 . 1 1 40 40 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 4496 1 501 . 1 1 40 40 VAL HB H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 502 . 1 1 40 40 VAL HG11 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 503 . 1 1 40 40 VAL HG12 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 504 . 1 1 40 40 VAL HG13 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 505 . 1 1 40 40 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 4496 1 506 . 1 1 40 40 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 4496 1 507 . 1 1 40 40 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 4496 1 508 . 1 1 40 40 VAL CG1 C 13 22.4 0.2 . 1 . . . . . . . . 4496 1 509 . 1 1 40 40 VAL CG2 C 13 23.9 0.2 . 1 . . . . . . . . 4496 1 510 . 1 1 40 40 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 4496 1 511 . 1 1 41 41 ASP N N 15 123.8 0.1 . 1 . . . . . . . . 4496 1 512 . 1 1 41 41 ASP H H 1 7.85 0.01 . 1 . . . . . . . . 4496 1 513 . 1 1 41 41 ASP CA C 13 58.4 0.2 . 1 . . . . . . . . 4496 1 514 . 1 1 41 41 ASP HA H 1 4.26 0.01 . 1 . . . . . . . . 4496 1 515 . 1 1 41 41 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 4496 1 516 . 1 1 41 41 ASP HB2 H 1 2.50 0.01 . 2 . . . . . . . . 4496 1 517 . 1 1 41 41 ASP HB3 H 1 2.74 0.01 . 2 . . . . . . . . 4496 1 518 . 1 1 41 41 ASP C C 13 178.4 0.2 . 1 . . . . . . . . 4496 1 519 . 1 1 42 42 HIS N N 15 115.9 0.1 . 1 . . . . . . . . 4496 1 520 . 1 1 42 42 HIS H H 1 7.42 0.01 . 1 . . . . . . . . 4496 1 521 . 1 1 42 42 HIS CA C 13 59.6 0.2 . 1 . . . . . . . . 4496 1 522 . 1 1 42 42 HIS HA H 1 4.48 0.01 . 1 . . . . . . . . 4496 1 523 . 1 1 42 42 HIS CB C 13 27.7 0.2 . 1 . . . . . . . . 4496 1 524 . 1 1 42 42 HIS HB2 H 1 3.64 0.01 . 2 . . . . . . . . 4496 1 525 . 1 1 42 42 HIS HB3 H 1 2.85 0.01 . 2 . . . . . . . . 4496 1 526 . 1 1 42 42 HIS CD2 C 13 120.6 0.2 . 1 . . . . . . . . 4496 1 527 . 1 1 42 42 HIS CE1 C 13 137.5 0.2 . 1 . . . . . . . . 4496 1 528 . 1 1 42 42 HIS HD2 H 1 7.17 0.01 . 1 . . . . . . . . 4496 1 529 . 1 1 42 42 HIS HE1 H 1 8.65 0.01 . 1 . . . . . . . . 4496 1 530 . 1 1 42 42 HIS C C 13 178.5 0.2 . 1 . . . . . . . . 4496 1 531 . 1 1 43 43 LEU N N 15 118.0 0.1 . 1 . . . . . . . . 4496 1 532 . 1 1 43 43 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 4496 1 533 . 1 1 43 43 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 4496 1 534 . 1 1 43 43 LEU HA H 1 3.96 0.01 . 1 . . . . . . . . 4496 1 535 . 1 1 43 43 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4496 1 536 . 1 1 43 43 LEU HB2 H 1 2.07 0.01 . 2 . . . . . . . . 4496 1 537 . 1 1 43 43 LEU HB3 H 1 1.99 0.01 . 2 . . . . . . . . 4496 1 538 . 1 1 43 43 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 4496 1 539 . 1 1 43 43 LEU HG H 1 1.25 0.01 . 1 . . . . . . . . 4496 1 540 . 1 1 43 43 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 541 . 1 1 43 43 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 542 . 1 1 43 43 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . 4496 1 543 . 1 1 43 43 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 544 . 1 1 43 43 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 545 . 1 1 43 43 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 546 . 1 1 43 43 LEU CD1 C 13 23.1 0.2 . 1 . . . . . . . . 4496 1 547 . 1 1 43 43 LEU CD2 C 13 26.4 0.2 . 1 . . . . . . . . 4496 1 548 . 1 1 43 43 LEU C C 13 178.0 0.2 . 1 . . . . . . . . 4496 1 549 . 1 1 44 44 THR N N 15 114.2 0.1 . 1 . . . . . . . . 4496 1 550 . 1 1 44 44 THR H H 1 8.36 0.01 . 1 . . . . . . . . 4496 1 551 . 1 1 44 44 THR CA C 13 68.0 0.2 . 1 . . . . . . . . 4496 1 552 . 1 1 44 44 THR HA H 1 3.64 0.01 . 1 . . . . . . . . 4496 1 553 . 1 1 44 44 THR CB C 13 67.8 0.2 . 1 . . . . . . . . 4496 1 554 . 1 1 44 44 THR HB H 1 4.23 0.01 . 1 . . . . . . . . 4496 1 555 . 1 1 44 44 THR HG21 H 1 1.04 0.01 . 1 . . . . . . . . 4496 1 556 . 1 1 44 44 THR HG22 H 1 1.04 0.01 . 1 . . . . . . . . 4496 1 557 . 1 1 44 44 THR HG23 H 1 1.04 0.01 . 1 . . . . . . . . 4496 1 558 . 1 1 44 44 THR CG2 C 13 21.7 0.2 . 1 . . . . . . . . 4496 1 559 . 1 1 44 44 THR C C 13 178.7 0.2 . 1 . . . . . . . . 4496 1 560 . 1 1 45 45 ASN N N 15 120.4 0.1 . 1 . . . . . . . . 4496 1 561 . 1 1 45 45 ASN H H 1 7.29 0.01 . 1 . . . . . . . . 4496 1 562 . 1 1 45 45 ASN CA C 13 55.8 0.2 . 1 . . . . . . . . 4496 1 563 . 1 1 45 45 ASN HA H 1 4.38 0.01 . 1 . . . . . . . . 4496 1 564 . 1 1 45 45 ASN CB C 13 37.7 0.2 . 1 . . . . . . . . 4496 1 565 . 1 1 45 45 ASN HB2 H 1 2.66 0.01 . 2 . . . . . . . . 4496 1 566 . 1 1 45 45 ASN HB3 H 1 3.52 0.01 . 2 . . . . . . . . 4496 1 567 . 1 1 45 45 ASN ND2 N 15 110.6 0.1 . 1 . . . . . . . . 4496 1 568 . 1 1 45 45 ASN HD21 H 1 6.76 0.01 . 2 . . . . . . . . 4496 1 569 . 1 1 45 45 ASN HD22 H 1 7.83 0.01 . 2 . . . . . . . . 4496 1 570 . 1 1 45 45 ASN C C 13 175.8 0.2 . 1 . . . . . . . . 4496 1 571 . 1 1 46 46 ALA N N 15 119.3 0.1 . 1 . . . . . . . . 4496 1 572 . 1 1 46 46 ALA H H 1 7.51 0.01 . 1 . . . . . . . . 4496 1 573 . 1 1 46 46 ALA CA C 13 55.2 0.2 . 1 . . . . . . . . 4496 1 574 . 1 1 46 46 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 4496 1 575 . 1 1 46 46 ALA HB1 H 1 1.31 0.01 . 1 . . . . . . . . 4496 1 576 . 1 1 46 46 ALA HB2 H 1 1.31 0.01 . 1 . . . . . . . . 4496 1 577 . 1 1 46 46 ALA HB3 H 1 1.31 0.01 . 1 . . . . . . . . 4496 1 578 . 1 1 46 46 ALA CB C 13 18.2 0.2 . 1 . . . . . . . . 4496 1 579 . 1 1 46 46 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 4496 1 580 . 1 1 47 47 ILE N N 15 117.1 0.1 . 1 . . . . . . . . 4496 1 581 . 1 1 47 47 ILE H H 1 8.28 0.01 . 1 . . . . . . . . 4496 1 582 . 1 1 47 47 ILE CA C 13 65.1 0.2 . 1 . . . . . . . . 4496 1 583 . 1 1 47 47 ILE HA H 1 3.65 0.01 . 1 . . . . . . . . 4496 1 584 . 1 1 47 47 ILE CB C 13 38.5 0.2 . 1 . . . . . . . . 4496 1 585 . 1 1 47 47 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 4496 1 586 . 1 1 47 47 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 4496 1 587 . 1 1 47 47 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 4496 1 588 . 1 1 47 47 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 4496 1 589 . 1 1 47 47 ILE CG2 C 13 18.1 0.2 . 1 . . . . . . . . 4496 1 590 . 1 1 47 47 ILE CG1 C 13 30.2 0.2 . 1 . . . . . . . . 4496 1 591 . 1 1 47 47 ILE HG12 H 1 1.88 0.01 . 2 . . . . . . . . 4496 1 592 . 1 1 47 47 ILE HG13 H 1 1.00 0.01 . 2 . . . . . . . . 4496 1 593 . 1 1 47 47 ILE HD11 H 1 0.80 0.01 . 1 . . . . . . . . 4496 1 594 . 1 1 47 47 ILE HD12 H 1 0.80 0.01 . 1 . . . . . . . . 4496 1 595 . 1 1 47 47 ILE HD13 H 1 0.80 0.01 . 1 . . . . . . . . 4496 1 596 . 1 1 47 47 ILE CD1 C 13 15.3 0.2 . 1 . . . . . . . . 4496 1 597 . 1 1 47 47 ILE C C 13 179.5 0.2 . 1 . . . . . . . . 4496 1 598 . 1 1 48 48 ALA N N 15 118.8 0.1 . 1 . . . . . . . . 4496 1 599 . 1 1 48 48 ALA H H 1 8.13 0.01 . 1 . . . . . . . . 4496 1 600 . 1 1 48 48 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 4496 1 601 . 1 1 48 48 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 4496 1 602 . 1 1 48 48 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4496 1 603 . 1 1 48 48 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4496 1 604 . 1 1 48 48 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4496 1 605 . 1 1 48 48 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 4496 1 606 . 1 1 48 48 ALA C C 13 177.6 0.2 . 1 . . . . . . . . 4496 1 607 . 1 1 49 49 VAL N N 15 104.2 0.1 . 1 . . . . . . . . 4496 1 608 . 1 1 49 49 VAL H H 1 7.16 0.01 . 1 . . . . . . . . 4496 1 609 . 1 1 49 49 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 4496 1 610 . 1 1 49 49 VAL HA H 1 4.59 0.01 . 1 . . . . . . . . 4496 1 611 . 1 1 49 49 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 4496 1 612 . 1 1 49 49 VAL HB H 1 2.61 0.01 . 1 . . . . . . . . 4496 1 613 . 1 1 49 49 VAL HG11 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 614 . 1 1 49 49 VAL HG12 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 615 . 1 1 49 49 VAL HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4496 1 616 . 1 1 49 49 VAL HG21 H 1 1.35 0.01 . 2 . . . . . . . . 4496 1 617 . 1 1 49 49 VAL HG22 H 1 1.35 0.01 . 2 . . . . . . . . 4496 1 618 . 1 1 49 49 VAL HG23 H 1 1.35 0.01 . 2 . . . . . . . . 4496 1 619 . 1 1 49 49 VAL CG1 C 13 21.5 0.2 . 1 . . . . . . . . 4496 1 620 . 1 1 49 49 VAL CG2 C 13 19.4 0.2 . 1 . . . . . . . . 4496 1 621 . 1 1 49 49 VAL C C 13 178.3 0.2 . 1 . . . . . . . . 4496 1 622 . 1 1 50 50 CYS N N 15 120.7 0.1 . 1 . . . . . . . . 4496 1 623 . 1 1 50 50 CYS H H 1 7.46 0.01 . 1 . . . . . . . . 4496 1 624 . 1 1 50 50 CYS CA C 13 59.0 0.2 . 1 . . . . . . . . 4496 1 625 . 1 1 50 50 CYS HA H 1 3.98 0.01 . 1 . . . . . . . . 4496 1 626 . 1 1 50 50 CYS CB C 13 28.5 0.2 . 1 . . . . . . . . 4496 1 627 . 1 1 50 50 CYS HB2 H 1 3.10 0.01 . 2 . . . . . . . . 4496 1 628 . 1 1 50 50 CYS HB3 H 1 2.83 0.01 . 2 . . . . . . . . 4496 1 629 . 1 1 50 50 CYS C C 13 175.1 0.2 . 1 . . . . . . . . 4496 1 630 . 1 1 51 51 GLY N N 15 113.6 0.1 . 1 . . . . . . . . 4496 1 631 . 1 1 51 51 GLY H H 1 8.73 0.01 . 1 . . . . . . . . 4496 1 632 . 1 1 51 51 GLY CA C 13 46.4 0.2 . 1 . . . . . . . . 4496 1 633 . 1 1 51 51 GLY HA3 H 1 3.96 0.01 . 1 . . . . . . . . 4496 1 634 . 1 1 51 51 GLY HA2 H 1 3.96 0.01 . 1 . . . . . . . . 4496 1 635 . 1 1 51 51 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 4496 1 636 . 1 1 52 52 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 4496 1 637 . 1 1 52 52 GLN H H 1 7.69 0.01 . 1 . . . . . . . . 4496 1 638 . 1 1 52 52 GLN CA C 13 53.4 0.2 . 1 . . . . . . . . 4496 1 639 . 1 1 52 52 GLN HA H 1 4.89 0.01 . 1 . . . . . . . . 4496 1 640 . 1 1 52 52 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 4496 1 641 . 1 1 52 52 GLN HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4496 1 642 . 1 1 52 52 GLN HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4496 1 643 . 1 1 52 52 GLN CG C 13 33.4 0.2 . 1 . . . . . . . . 4496 1 644 . 1 1 52 52 GLN HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4496 1 645 . 1 1 52 52 GLN HG3 H 1 2.29 0.01 . 1 . . . . . . . . 4496 1 646 . 1 1 52 52 GLN NE2 N 15 110.9 0.1 . 1 . . . . . . . . 4496 1 647 . 1 1 52 52 GLN HE21 H 1 6.72 0.01 . 2 . . . . . . . . 4496 1 648 . 1 1 52 52 GLN HE22 H 1 7.37 0.01 . 2 . . . . . . . . 4496 1 649 . 1 1 52 52 GLN C C 13 174.0 0.2 . 1 . . . . . . . . 4496 1 650 . 1 1 53 53 PRO CD C 13 50.3 0.2 . 1 . . . . . . . . 4496 1 651 . 1 1 53 53 PRO CA C 13 65.9 0.2 . 1 . . . . . . . . 4496 1 652 . 1 1 53 53 PRO HA H 1 4.10 0.01 . 1 . . . . . . . . 4496 1 653 . 1 1 53 53 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4496 1 654 . 1 1 53 53 PRO HB2 H 1 1.79 0.01 . 2 . . . . . . . . 4496 1 655 . 1 1 53 53 PRO HB3 H 1 2.38 0.01 . 2 . . . . . . . . 4496 1 656 . 1 1 53 53 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4496 1 657 . 1 1 53 53 PRO HG2 H 1 2.01 0.01 . 2 . . . . . . . . 4496 1 658 . 1 1 53 53 PRO HG3 H 1 2.20 0.01 . 2 . . . . . . . . 4496 1 659 . 1 1 53 53 PRO HD2 H 1 3.58 0.01 . 2 . . . . . . . . 4496 1 660 . 1 1 53 53 PRO HD3 H 1 3.72 0.01 . 2 . . . . . . . . 4496 1 661 . 1 1 54 54 GLN N N 15 117.7 0.1 . 1 . . . . . . . . 4496 1 662 . 1 1 54 54 GLN H H 1 8.81 0.01 . 1 . . . . . . . . 4496 1 663 . 1 1 54 54 GLN CA C 13 60.5 0.2 . 1 . . . . . . . . 4496 1 664 . 1 1 54 54 GLN HA H 1 3.87 0.01 . 1 . . . . . . . . 4496 1 665 . 1 1 54 54 GLN CB C 13 27.8 0.2 . 1 . . . . . . . . 4496 1 666 . 1 1 54 54 GLN HB2 H 1 2.09 0.01 . 1 . . . . . . . . 4496 1 667 . 1 1 54 54 GLN HB3 H 1 2.09 0.01 . 1 . . . . . . . . 4496 1 668 . 1 1 54 54 GLN CG C 13 34.5 0.2 . 1 . . . . . . . . 4496 1 669 . 1 1 54 54 GLN HG2 H 1 2.39 0.01 . 2 . . . . . . . . 4496 1 670 . 1 1 54 54 GLN HG3 H 1 2.18 0.01 . 2 . . . . . . . . 4496 1 671 . 1 1 54 54 GLN NE2 N 15 111.5 0.1 . 1 . . . . . . . . 4496 1 672 . 1 1 54 54 GLN HE21 H 1 6.95 0.01 . 2 . . . . . . . . 4496 1 673 . 1 1 54 54 GLN HE22 H 1 7.55 0.01 . 2 . . . . . . . . 4496 1 674 . 1 1 54 54 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 4496 1 675 . 1 1 55 55 GLN N N 15 118.5 0.1 . 1 . . . . . . . . 4496 1 676 . 1 1 55 55 GLN H H 1 7.80 0.01 . 1 . . . . . . . . 4496 1 677 . 1 1 55 55 GLN CA C 13 59.2 0.2 . 1 . . . . . . . . 4496 1 678 . 1 1 55 55 GLN HA H 1 4.14 0.01 . 1 . . . . . . . . 4496 1 679 . 1 1 55 55 GLN CB C 13 28.4 0.2 . 1 . . . . . . . . 4496 1 680 . 1 1 55 55 GLN HB2 H 1 2.18 0.01 . 2 . . . . . . . . 4496 1 681 . 1 1 55 55 GLN HB3 H 1 2.23 0.01 . 2 . . . . . . . . 4496 1 682 . 1 1 55 55 GLN CG C 13 33.6 0.2 . 1 . . . . . . . . 4496 1 683 . 1 1 55 55 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 684 . 1 1 55 55 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 685 . 1 1 55 55 GLN NE2 N 15 111.2 0.1 . 1 . . . . . . . . 4496 1 686 . 1 1 55 55 GLN HE21 H 1 6.81 0.01 . 2 . . . . . . . . 4496 1 687 . 1 1 55 55 GLN HE22 H 1 7.45 0.01 . 2 . . . . . . . . 4496 1 688 . 1 1 55 55 GLN C C 13 178.0 0.2 . 1 . . . . . . . . 4496 1 689 . 1 1 56 56 LEU N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 690 . 1 1 56 56 LEU H H 1 7.79 0.01 . 1 . . . . . . . . 4496 1 691 . 1 1 56 56 LEU CA C 13 57.7 0.2 . 1 . . . . . . . . 4496 1 692 . 1 1 56 56 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 4496 1 693 . 1 1 56 56 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4496 1 694 . 1 1 56 56 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4496 1 695 . 1 1 56 56 LEU HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4496 1 696 . 1 1 56 56 LEU CG C 13 27.9 0.2 . 1 . . . . . . . . 4496 1 697 . 1 1 56 56 LEU HG H 1 1.57 0.01 . 1 . . . . . . . . 4496 1 698 . 1 1 56 56 LEU HD11 H 1 1.03 0.01 . 2 . . . . . . . . 4496 1 699 . 1 1 56 56 LEU HD12 H 1 1.03 0.01 . 2 . . . . . . . . 4496 1 700 . 1 1 56 56 LEU HD13 H 1 1.03 0.01 . 2 . . . . . . . . 4496 1 701 . 1 1 56 56 LEU HD21 H 1 1.13 0.01 . 2 . . . . . . . . 4496 1 702 . 1 1 56 56 LEU HD22 H 1 1.13 0.01 . 2 . . . . . . . . 4496 1 703 . 1 1 56 56 LEU HD23 H 1 1.13 0.01 . 2 . . . . . . . . 4496 1 704 . 1 1 56 56 LEU CD1 C 13 22.8 0.2 . 1 . . . . . . . . 4496 1 705 . 1 1 56 56 LEU CD2 C 13 28.0 0.2 . 1 . . . . . . . . 4496 1 706 . 1 1 56 56 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 4496 1 707 . 1 1 57 57 LEU N N 15 119.3 0.1 . 1 . . . . . . . . 4496 1 708 . 1 1 57 57 LEU H H 1 8.63 0.01 . 1 . . . . . . . . 4496 1 709 . 1 1 57 57 LEU CA C 13 59.0 0.2 . 1 . . . . . . . . 4496 1 710 . 1 1 57 57 LEU HA H 1 3.99 0.01 . 1 . . . . . . . . 4496 1 711 . 1 1 57 57 LEU CB C 13 42.1 0.2 . 1 . . . . . . . . 4496 1 712 . 1 1 57 57 LEU HB2 H 1 1.64 0.01 . 2 . . . . . . . . 4496 1 713 . 1 1 57 57 LEU HB3 H 1 2.07 0.01 . 2 . . . . . . . . 4496 1 714 . 1 1 57 57 LEU CG C 13 26.5 0.2 . 1 . . . . . . . . 4496 1 715 . 1 1 57 57 LEU HG H 1 1.99 0.01 . 1 . . . . . . . . 4496 1 716 . 1 1 57 57 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 717 . 1 1 57 57 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 718 . 1 1 57 57 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 719 . 1 1 57 57 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 720 . 1 1 57 57 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 721 . 1 1 57 57 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 722 . 1 1 57 57 LEU CD1 C 13 25.8 0.2 . 1 . . . . . . . . 4496 1 723 . 1 1 57 57 LEU CD2 C 13 24.7 0.2 . 1 . . . . . . . . 4496 1 724 . 1 1 57 57 LEU C C 13 178.5 0.2 . 1 . . . . . . . . 4496 1 725 . 1 1 58 58 GLN N N 15 117.8 0.1 . 1 . . . . . . . . 4496 1 726 . 1 1 58 58 GLN H H 1 7.82 0.01 . 1 . . . . . . . . 4496 1 727 . 1 1 58 58 GLN CA C 13 59.6 0.2 . 1 . . . . . . . . 4496 1 728 . 1 1 58 58 GLN HA H 1 4.01 0.01 . 1 . . . . . . . . 4496 1 729 . 1 1 58 58 GLN CB C 13 28.6 0.2 . 1 . . . . . . . . 4496 1 730 . 1 1 58 58 GLN HB2 H 1 2.23 0.01 . 1 . . . . . . . . 4496 1 731 . 1 1 58 58 GLN HB3 H 1 2.23 0.01 . 1 . . . . . . . . 4496 1 732 . 1 1 58 58 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 4496 1 733 . 1 1 58 58 GLN HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4496 1 734 . 1 1 58 58 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4496 1 735 . 1 1 58 58 GLN NE2 N 15 110.9 0.1 . 1 . . . . . . . . 4496 1 736 . 1 1 58 58 GLN HE21 H 1 6.76 0.01 . 2 . . . . . . . . 4496 1 737 . 1 1 58 58 GLN HE22 H 1 7.37 0.01 . 2 . . . . . . . . 4496 1 738 . 1 1 58 58 GLN C C 13 178.2 0.2 . 1 . . . . . . . . 4496 1 739 . 1 1 59 59 VAL N N 15 118.9 0.1 . 1 . . . . . . . . 4496 1 740 . 1 1 59 59 VAL H H 1 7.62 0.01 . 1 . . . . . . . . 4496 1 741 . 1 1 59 59 VAL CA C 13 66.0 0.2 . 1 . . . . . . . . 4496 1 742 . 1 1 59 59 VAL HA H 1 3.77 0.01 . 1 . . . . . . . . 4496 1 743 . 1 1 59 59 VAL CB C 13 32.0 0.2 . 1 . . . . . . . . 4496 1 744 . 1 1 59 59 VAL HB H 1 2.28 0.01 . 1 . . . . . . . . 4496 1 745 . 1 1 59 59 VAL HG11 H 1 0.96 0.01 . 2 . . . . . . . . 4496 1 746 . 1 1 59 59 VAL HG12 H 1 0.96 0.01 . 2 . . . . . . . . 4496 1 747 . 1 1 59 59 VAL HG13 H 1 0.96 0.01 . 2 . . . . . . . . 4496 1 748 . 1 1 59 59 VAL HG21 H 1 1.11 0.01 . 2 . . . . . . . . 4496 1 749 . 1 1 59 59 VAL HG22 H 1 1.11 0.01 . 2 . . . . . . . . 4496 1 750 . 1 1 59 59 VAL HG23 H 1 1.11 0.01 . 2 . . . . . . . . 4496 1 751 . 1 1 59 59 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 4496 1 752 . 1 1 59 59 VAL CG2 C 13 23.2 0.2 . 1 . . . . . . . . 4496 1 753 . 1 1 59 59 VAL C C 13 178.5 0.2 . 1 . . . . . . . . 4496 1 754 . 1 1 60 60 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4496 1 755 . 1 1 60 60 LEU H H 1 8.59 0.01 . 1 . . . . . . . . 4496 1 756 . 1 1 60 60 LEU CA C 13 57.6 0.2 . 1 . . . . . . . . 4496 1 757 . 1 1 60 60 LEU HA H 1 4.12 0.01 . 1 . . . . . . . . 4496 1 758 . 1 1 60 60 LEU CB C 13 40.5 0.2 . 1 . . . . . . . . 4496 1 759 . 1 1 60 60 LEU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 4496 1 760 . 1 1 60 60 LEU HB3 H 1 1.39 0.01 . 2 . . . . . . . . 4496 1 761 . 1 1 60 60 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 4496 1 762 . 1 1 60 60 LEU HG H 1 2.10 0.01 . 1 . . . . . . . . 4496 1 763 . 1 1 60 60 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . 4496 1 764 . 1 1 60 60 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . 4496 1 765 . 1 1 60 60 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . 4496 1 766 . 1 1 60 60 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 767 . 1 1 60 60 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 768 . 1 1 60 60 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 769 . 1 1 60 60 LEU CD1 C 13 26.5 0.2 . 1 . . . . . . . . 4496 1 770 . 1 1 60 60 LEU CD2 C 13 23.7 0.2 . 1 . . . . . . . . 4496 1 771 . 1 1 60 60 LEU C C 13 179.6 0.2 . 1 . . . . . . . . 4496 1 772 . 1 1 61 61 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 4496 1 773 . 1 1 61 61 GLN H H 1 8.41 0.01 . 1 . . . . . . . . 4496 1 774 . 1 1 61 61 GLN CA C 13 58.9 0.2 . 1 . . . . . . . . 4496 1 775 . 1 1 61 61 GLN HA H 1 2.65 0.01 . 1 . . . . . . . . 4496 1 776 . 1 1 61 61 GLN CB C 13 27.2 0.2 . 1 . . . . . . . . 4496 1 777 . 1 1 61 61 GLN HB2 H 1 1.94 0.01 . 2 . . . . . . . . 4496 1 778 . 1 1 61 61 GLN HB3 H 1 1.34 0.01 . 2 . . . . . . . . 4496 1 779 . 1 1 61 61 GLN CG C 13 33.3 0.2 . 1 . . . . . . . . 4496 1 780 . 1 1 61 61 GLN HG2 H 1 1.75 0.01 . 2 . . . . . . . . 4496 1 781 . 1 1 61 61 GLN HG3 H 1 1.46 0.01 . 2 . . . . . . . . 4496 1 782 . 1 1 61 61 GLN NE2 N 15 109.9 0.1 . 1 . . . . . . . . 4496 1 783 . 1 1 61 61 GLN HE21 H 1 6.56 0.01 . 2 . . . . . . . . 4496 1 784 . 1 1 61 61 GLN HE22 H 1 7.21 0.01 . 2 . . . . . . . . 4496 1 785 . 1 1 61 61 GLN C C 13 178.1 0.2 . 1 . . . . . . . . 4496 1 786 . 1 1 62 62 GLN N N 15 113.0 0.1 . 1 . . . . . . . . 4496 1 787 . 1 1 62 62 GLN H H 1 7.21 0.01 . 1 . . . . . . . . 4496 1 788 . 1 1 62 62 GLN CA C 13 57.0 0.2 . 1 . . . . . . . . 4496 1 789 . 1 1 62 62 GLN HA H 1 4.07 0.01 . 1 . . . . . . . . 4496 1 790 . 1 1 62 62 GLN CB C 13 29.6 0.2 . 1 . . . . . . . . 4496 1 791 . 1 1 62 62 GLN HB2 H 1 2.17 0.01 . 1 . . . . . . . . 4496 1 792 . 1 1 62 62 GLN HB3 H 1 2.17 0.01 . 1 . . . . . . . . 4496 1 793 . 1 1 62 62 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 4496 1 794 . 1 1 62 62 GLN HG2 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 795 . 1 1 62 62 GLN HG3 H 1 2.44 0.01 . 1 . . . . . . . . 4496 1 796 . 1 1 62 62 GLN NE2 N 15 111.4 0.1 . 1 . . . . . . . . 4496 1 797 . 1 1 62 62 GLN HE21 H 1 6.73 0.01 . 2 . . . . . . . . 4496 1 798 . 1 1 62 62 GLN HE22 H 1 7.40 0.01 . 2 . . . . . . . . 4496 1 799 . 1 1 62 62 GLN C C 13 177.8 0.2 . 1 . . . . . . . . 4496 1 800 . 1 1 63 63 THR N N 15 107.1 0.1 . 1 . . . . . . . . 4496 1 801 . 1 1 63 63 THR H H 1 7.46 0.01 . 1 . . . . . . . . 4496 1 802 . 1 1 63 63 THR CA C 13 62.4 0.2 . 1 . . . . . . . . 4496 1 803 . 1 1 63 63 THR HA H 1 4.42 0.01 . 1 . . . . . . . . 4496 1 804 . 1 1 63 63 THR CB C 13 71.2 0.2 . 1 . . . . . . . . 4496 1 805 . 1 1 63 63 THR HB H 1 4.14 0.01 . 1 . . . . . . . . 4496 1 806 . 1 1 63 63 THR HG21 H 1 1.15 0.01 . 1 . . . . . . . . 4496 1 807 . 1 1 63 63 THR HG22 H 1 1.15 0.01 . 1 . . . . . . . . 4496 1 808 . 1 1 63 63 THR HG23 H 1 1.15 0.01 . 1 . . . . . . . . 4496 1 809 . 1 1 63 63 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 4496 1 810 . 1 1 63 63 THR C C 13 177.0 0.2 . 1 . . . . . . . . 4496 1 811 . 1 1 64 64 LEU N N 15 122.2 0.1 . 1 . . . . . . . . 4496 1 812 . 1 1 64 64 LEU H H 1 8.02 0.01 . 1 . . . . . . . . 4496 1 813 . 1 1 64 64 LEU CA C 13 52.6 0.2 . 1 . . . . . . . . 4496 1 814 . 1 1 64 64 LEU HA H 1 4.77 0.01 . 1 . . . . . . . . 4496 1 815 . 1 1 64 64 LEU CB C 13 42.3 0.2 . 1 . . . . . . . . 4496 1 816 . 1 1 64 64 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 4496 1 817 . 1 1 64 64 LEU HB3 H 1 1.17 0.01 . 2 . . . . . . . . 4496 1 818 . 1 1 64 64 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 4496 1 819 . 1 1 64 64 LEU HG H 1 2.04 0.01 . 1 . . . . . . . . 4496 1 820 . 1 1 64 64 LEU HD11 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 821 . 1 1 64 64 LEU HD12 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 822 . 1 1 64 64 LEU HD13 H 1 0.88 0.01 . 2 . . . . . . . . 4496 1 823 . 1 1 64 64 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 824 . 1 1 64 64 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 825 . 1 1 64 64 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . 4496 1 826 . 1 1 64 64 LEU CD1 C 13 23.1 0.2 . 1 . . . . . . . . 4496 1 827 . 1 1 64 64 LEU CD2 C 13 26.8 0.2 . 1 . . . . . . . . 4496 1 828 . 1 1 64 64 LEU C C 13 174.9 0.2 . 1 . . . . . . . . 4496 1 829 . 1 1 65 65 PRO CD C 13 50.3 0.2 . 1 . . . . . . . . 4496 1 830 . 1 1 65 65 PRO CA C 13 61.2 0.2 . 1 . . . . . . . . 4496 1 831 . 1 1 65 65 PRO HA H 1 4.79 0.01 . 1 . . . . . . . . 4496 1 832 . 1 1 65 65 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4496 1 833 . 1 1 65 65 PRO HB2 H 1 2.62 0.01 . 2 . . . . . . . . 4496 1 834 . 1 1 65 65 PRO HB3 H 1 1.67 0.01 . 2 . . . . . . . . 4496 1 835 . 1 1 65 65 PRO CG C 13 28.4 0.2 . 1 . . . . . . . . 4496 1 836 . 1 1 65 65 PRO HG2 H 1 2.14 0.01 . 2 . . . . . . . . 4496 1 837 . 1 1 65 65 PRO HG3 H 1 2.18 0.01 . 2 . . . . . . . . 4496 1 838 . 1 1 65 65 PRO HD2 H 1 4.09 0.01 . 2 . . . . . . . . 4496 1 839 . 1 1 65 65 PRO HD3 H 1 3.24 0.01 . 2 . . . . . . . . 4496 1 840 . 1 1 66 66 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 4496 1 841 . 1 1 66 66 PRO CA C 13 67.2 0.2 . 1 . . . . . . . . 4496 1 842 . 1 1 66 66 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 4496 1 843 . 1 1 66 66 PRO CB C 13 29.3 0.2 . 1 . . . . . . . . 4496 1 844 . 1 1 66 66 PRO HB2 H 1 2.47 0.01 . 1 . . . . . . . . 4496 1 845 . 1 1 66 66 PRO HB3 H 1 2.47 0.01 . 1 . . . . . . . . 4496 1 846 . 1 1 66 66 PRO CG C 13 29.3 0.2 . 1 . . . . . . . . 4496 1 847 . 1 1 66 66 PRO HG2 H 1 2.18 0.01 . 1 . . . . . . . . 4496 1 848 . 1 1 66 66 PRO HG3 H 1 2.18 0.01 . 1 . . . . . . . . 4496 1 849 . 1 1 66 66 PRO HD2 H 1 4.11 0.01 . 2 . . . . . . . . 4496 1 850 . 1 1 66 66 PRO HD3 H 1 3.77 0.01 . 2 . . . . . . . . 4496 1 851 . 1 1 67 67 PRO CD C 13 50.2 0.2 . 1 . . . . . . . . 4496 1 852 . 1 1 67 67 PRO CA C 13 66.0 0.2 . 1 . . . . . . . . 4496 1 853 . 1 1 67 67 PRO HA H 1 4.39 0.01 . 1 . . . . . . . . 4496 1 854 . 1 1 67 67 PRO CB C 13 31.3 0.2 . 1 . . . . . . . . 4496 1 855 . 1 1 67 67 PRO HB2 H 1 2.38 0.01 . 2 . . . . . . . . 4496 1 856 . 1 1 67 67 PRO HB3 H 1 1.72 0.01 . 2 . . . . . . . . 4496 1 857 . 1 1 67 67 PRO CG C 13 28.4 0.2 . 1 . . . . . . . . 4496 1 858 . 1 1 67 67 PRO HG2 H 1 2.02 0.01 . 2 . . . . . . . . 4496 1 859 . 1 1 67 67 PRO HG3 H 1 2.10 0.01 . 2 . . . . . . . . 4496 1 860 . 1 1 67 67 PRO HD2 H 1 3.38 0.01 . 2 . . . . . . . . 4496 1 861 . 1 1 67 67 PRO HD3 H 1 3.76 0.01 . 2 . . . . . . . . 4496 1 862 . 1 1 68 68 VAL N N 15 117.2 0.1 . 1 . . . . . . . . 4496 1 863 . 1 1 68 68 VAL H H 1 7.23 0.01 . 1 . . . . . . . . 4496 1 864 . 1 1 68 68 VAL CA C 13 65.1 0.2 . 1 . . . . . . . . 4496 1 865 . 1 1 68 68 VAL HA H 1 3.64 0.01 . 1 . . . . . . . . 4496 1 866 . 1 1 68 68 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 4496 1 867 . 1 1 68 68 VAL HB H 1 2.06 0.01 . 1 . . . . . . . . 4496 1 868 . 1 1 68 68 VAL HG11 H 1 0.89 0.01 . 2 . . . . . . . . 4496 1 869 . 1 1 68 68 VAL HG12 H 1 0.89 0.01 . 2 . . . . . . . . 4496 1 870 . 1 1 68 68 VAL HG13 H 1 0.89 0.01 . 2 . . . . . . . . 4496 1 871 . 1 1 68 68 VAL HG21 H 1 0.58 0.01 . 2 . . . . . . . . 4496 1 872 . 1 1 68 68 VAL HG22 H 1 0.58 0.01 . 2 . . . . . . . . 4496 1 873 . 1 1 68 68 VAL HG23 H 1 0.58 0.01 . 2 . . . . . . . . 4496 1 874 . 1 1 68 68 VAL CG1 C 13 22.8 0.2 . 1 . . . . . . . . 4496 1 875 . 1 1 68 68 VAL CG2 C 13 22.4 0.2 . 1 . . . . . . . . 4496 1 876 . 1 1 68 68 VAL C C 13 179.7 0.2 . 1 . . . . . . . . 4496 1 877 . 1 1 69 69 PHE N N 15 121.7 0.1 . 1 . . . . . . . . 4496 1 878 . 1 1 69 69 PHE H H 1 8.06 0.01 . 1 . . . . . . . . 4496 1 879 . 1 1 69 69 PHE CA C 13 62.4 0.2 . 1 . . . . . . . . 4496 1 880 . 1 1 69 69 PHE HA H 1 3.97 0.01 . 1 . . . . . . . . 4496 1 881 . 1 1 69 69 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4496 1 882 . 1 1 69 69 PHE HB2 H 1 3.07 0.01 . 2 . . . . . . . . 4496 1 883 . 1 1 69 69 PHE HB3 H 1 3.13 0.01 . 2 . . . . . . . . 4496 1 884 . 1 1 69 69 PHE HD1 H 1 7.08 0.01 . 1 . . . . . . . . 4496 1 885 . 1 1 69 69 PHE HD2 H 1 7.08 0.01 . 1 . . . . . . . . 4496 1 886 . 1 1 69 69 PHE HE1 H 1 7.28 0.01 . 1 . . . . . . . . 4496 1 887 . 1 1 69 69 PHE HE2 H 1 7.28 0.01 . 1 . . . . . . . . 4496 1 888 . 1 1 69 69 PHE CD1 C 13 131.3 0.2 . 1 . . . . . . . . 4496 1 889 . 1 1 69 69 PHE CE1 C 13 132.0 0.2 . 1 . . . . . . . . 4496 1 890 . 1 1 69 69 PHE CZ C 13 131.4 0.2 . 1 . . . . . . . . 4496 1 891 . 1 1 69 69 PHE HZ H 1 7.26 0.01 . 1 . . . . . . . . 4496 1 892 . 1 1 69 69 PHE C C 13 177.3 0.2 . 1 . . . . . . . . 4496 1 893 . 1 1 70 70 GLN N N 15 115.6 0.1 . 1 . . . . . . . . 4496 1 894 . 1 1 70 70 GLN H H 1 8.31 0.01 . 1 . . . . . . . . 4496 1 895 . 1 1 70 70 GLN CA C 13 59.0 0.2 . 1 . . . . . . . . 4496 1 896 . 1 1 70 70 GLN HA H 1 3.72 0.01 . 1 . . . . . . . . 4496 1 897 . 1 1 70 70 GLN CB C 13 27.9 0.2 . 1 . . . . . . . . 4496 1 898 . 1 1 70 70 GLN HB2 H 1 2.08 0.01 . 1 . . . . . . . . 4496 1 899 . 1 1 70 70 GLN HB3 H 1 2.08 0.01 . 1 . . . . . . . . 4496 1 900 . 1 1 70 70 GLN CG C 13 33.7 0.2 . 1 . . . . . . . . 4496 1 901 . 1 1 70 70 GLN HG2 H 1 2.42 0.01 . 1 . . . . . . . . 4496 1 902 . 1 1 70 70 GLN HG3 H 1 2.42 0.01 . 1 . . . . . . . . 4496 1 903 . 1 1 70 70 GLN NE2 N 15 111.9 0.1 . 1 . . . . . . . . 4496 1 904 . 1 1 70 70 GLN HE21 H 1 6.79 0.01 . 2 . . . . . . . . 4496 1 905 . 1 1 70 70 GLN HE22 H 1 7.51 0.01 . 2 . . . . . . . . 4496 1 906 . 1 1 70 70 GLN C C 13 176.9 0.2 . 1 . . . . . . . . 4496 1 907 . 1 1 71 71 MET N N 15 118.9 0.1 . 1 . . . . . . . . 4496 1 908 . 1 1 71 71 MET H H 1 7.34 0.01 . 1 . . . . . . . . 4496 1 909 . 1 1 71 71 MET CA C 13 59.2 0.2 . 1 . . . . . . . . 4496 1 910 . 1 1 71 71 MET HA H 1 3.98 0.01 . 1 . . . . . . . . 4496 1 911 . 1 1 71 71 MET CB C 13 33.4 0.2 . 1 . . . . . . . . 4496 1 912 . 1 1 71 71 MET HB2 H 1 2.13 0.01 . 2 . . . . . . . . 4496 1 913 . 1 1 71 71 MET HB3 H 1 2.33 0.01 . 2 . . . . . . . . 4496 1 914 . 1 1 71 71 MET CG C 13 31.9 0.2 . 1 . . . . . . . . 4496 1 915 . 1 1 71 71 MET HG2 H 1 2.45 0.01 . 2 . . . . . . . . 4496 1 916 . 1 1 71 71 MET HG3 H 1 2.79 0.01 . 2 . . . . . . . . 4496 1 917 . 1 1 71 71 MET HE1 H 1 2.01 0.01 . 1 . . . . . . . . 4496 1 918 . 1 1 71 71 MET HE2 H 1 2.01 0.01 . 1 . . . . . . . . 4496 1 919 . 1 1 71 71 MET HE3 H 1 2.01 0.01 . 1 . . . . . . . . 4496 1 920 . 1 1 71 71 MET CE C 13 16.8 0.2 . 1 . . . . . . . . 4496 1 921 . 1 1 71 71 MET C C 13 178.4 0.2 . 1 . . . . . . . . 4496 1 922 . 1 1 72 72 LEU N N 15 121.6 0.1 . 1 . . . . . . . . 4496 1 923 . 1 1 72 72 LEU H H 1 7.90 0.01 . 1 . . . . . . . . 4496 1 924 . 1 1 72 72 LEU CA C 13 58.3 0.2 . 1 . . . . . . . . 4496 1 925 . 1 1 72 72 LEU HA H 1 3.76 0.01 . 1 . . . . . . . . 4496 1 926 . 1 1 72 72 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4496 1 927 . 1 1 72 72 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 4496 1 928 . 1 1 72 72 LEU HB3 H 1 1.29 0.01 . 2 . . . . . . . . 4496 1 929 . 1 1 72 72 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4496 1 930 . 1 1 72 72 LEU HG H 1 1.33 0.01 . 1 . . . . . . . . 4496 1 931 . 1 1 72 72 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . 4496 1 932 . 1 1 72 72 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . 4496 1 933 . 1 1 72 72 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . 4496 1 934 . 1 1 72 72 LEU HD21 H 1 0.70 0.01 . 2 . . . . . . . . 4496 1 935 . 1 1 72 72 LEU HD22 H 1 0.70 0.01 . 2 . . . . . . . . 4496 1 936 . 1 1 72 72 LEU HD23 H 1 0.70 0.01 . 2 . . . . . . . . 4496 1 937 . 1 1 72 72 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 4496 1 938 . 1 1 72 72 LEU CD2 C 13 26.5 0.2 . 1 . . . . . . . . 4496 1 939 . 1 1 72 72 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 4496 1 940 . 1 1 73 73 LEU N N 15 117.0 0.1 . 1 . . . . . . . . 4496 1 941 . 1 1 73 73 LEU H H 1 7.87 0.01 . 1 . . . . . . . . 4496 1 942 . 1 1 73 73 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 4496 1 943 . 1 1 73 73 LEU HA H 1 3.68 0.01 . 1 . . . . . . . . 4496 1 944 . 1 1 73 73 LEU CB C 13 41.3 0.2 . 1 . . . . . . . . 4496 1 945 . 1 1 73 73 LEU HB2 H 1 1.76 0.01 . 2 . . . . . . . . 4496 1 946 . 1 1 73 73 LEU HB3 H 1 1.24 0.01 . 2 . . . . . . . . 4496 1 947 . 1 1 73 73 LEU CG C 13 25.9 0.2 . 1 . . . . . . . . 4496 1 948 . 1 1 73 73 LEU HG H 1 1.19 0.01 . 1 . . . . . . . . 4496 1 949 . 1 1 73 73 LEU HD11 H 1 0.72 0.01 . 2 . . . . . . . . 4496 1 950 . 1 1 73 73 LEU HD12 H 1 0.72 0.01 . 2 . . . . . . . . 4496 1 951 . 1 1 73 73 LEU HD13 H 1 0.72 0.01 . 2 . . . . . . . . 4496 1 952 . 1 1 73 73 LEU HD21 H 1 0.52 0.01 . 2 . . . . . . . . 4496 1 953 . 1 1 73 73 LEU HD22 H 1 0.52 0.01 . 2 . . . . . . . . 4496 1 954 . 1 1 73 73 LEU HD23 H 1 0.52 0.01 . 2 . . . . . . . . 4496 1 955 . 1 1 73 73 LEU CD1 C 13 25.8 0.2 . 1 . . . . . . . . 4496 1 956 . 1 1 73 73 LEU CD2 C 13 22.8 0.2 . 1 . . . . . . . . 4496 1 957 . 1 1 73 73 LEU C C 13 178.8 0.2 . 1 . . . . . . . . 4496 1 958 . 1 1 74 74 THR N N 15 109.5 0.1 . 1 . . . . . . . . 4496 1 959 . 1 1 74 74 THR H H 1 7.55 0.01 . 1 . . . . . . . . 4496 1 960 . 1 1 74 74 THR CA C 13 65.0 0.2 . 1 . . . . . . . . 4496 1 961 . 1 1 74 74 THR HA H 1 3.99 0.01 . 1 . . . . . . . . 4496 1 962 . 1 1 74 74 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 4496 1 963 . 1 1 74 74 THR HB H 1 4.24 0.01 . 1 . . . . . . . . 4496 1 964 . 1 1 74 74 THR HG21 H 1 1.29 0.01 . 1 . . . . . . . . 4496 1 965 . 1 1 74 74 THR HG22 H 1 1.29 0.01 . 1 . . . . . . . . 4496 1 966 . 1 1 74 74 THR HG23 H 1 1.29 0.01 . 1 . . . . . . . . 4496 1 967 . 1 1 74 74 THR CG2 C 13 21.9 0.2 . 1 . . . . . . . . 4496 1 968 . 1 1 74 74 THR C C 13 179.6 0.2 . 1 . . . . . . . . 4496 1 969 . 1 1 75 75 LYS N N 15 119.1 0.1 . 1 . . . . . . . . 4496 1 970 . 1 1 75 75 LYS H H 1 7.52 0.01 . 1 . . . . . . . . 4496 1 971 . 1 1 75 75 LYS CA C 13 56.0 0.2 . 1 . . . . . . . . 4496 1 972 . 1 1 75 75 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 4496 1 973 . 1 1 75 75 LYS CB C 13 32.8 0.2 . 1 . . . . . . . . 4496 1 974 . 1 1 75 75 LYS HB2 H 1 1.90 0.01 . 1 . . . . . . . . 4496 1 975 . 1 1 75 75 LYS HB3 H 1 1.90 0.01 . 1 . . . . . . . . 4496 1 976 . 1 1 75 75 LYS CG C 13 24.9 0.2 . 1 . . . . . . . . 4496 1 977 . 1 1 75 75 LYS HG2 H 1 1.48 0.01 . 2 . . . . . . . . 4496 1 978 . 1 1 75 75 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . 4496 1 979 . 1 1 75 75 LYS CD C 13 28.4 0.2 . 1 . . . . . . . . 4496 1 980 . 1 1 75 75 LYS HD2 H 1 1.55 0.01 . 2 . . . . . . . . 4496 1 981 . 1 1 75 75 LYS HD3 H 1 1.62 0.01 . 2 . . . . . . . . 4496 1 982 . 1 1 75 75 LYS CE C 13 41.8 0.2 . 1 . . . . . . . . 4496 1 983 . 1 1 75 75 LYS HE2 H 1 2.81 0.01 . 2 . . . . . . . . 4496 1 984 . 1 1 75 75 LYS HE3 H 1 2.88 0.01 . 2 . . . . . . . . 4496 1 985 . 1 1 75 75 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 4496 1 986 . 1 1 76 76 LEU N N 15 123.7 0.1 . 1 . . . . . . . . 4496 1 987 . 1 1 76 76 LEU H H 1 8.07 0.01 . 1 . . . . . . . . 4496 1 988 . 1 1 76 76 LEU CA C 13 53.2 0.2 . 1 . . . . . . . . 4496 1 989 . 1 1 76 76 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . 4496 1 990 . 1 1 76 76 LEU CB C 13 41.5 0.2 . 1 . . . . . . . . 4496 1 991 . 1 1 76 76 LEU HB2 H 1 1.46 0.01 . 2 . . . . . . . . 4496 1 992 . 1 1 76 76 LEU HB3 H 1 1.29 0.01 . 2 . . . . . . . . 4496 1 993 . 1 1 76 76 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 4496 1 994 . 1 1 76 76 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 4496 1 995 . 1 1 76 76 LEU HD11 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 996 . 1 1 76 76 LEU HD12 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 997 . 1 1 76 76 LEU HD13 H 1 0.84 0.01 . 2 . . . . . . . . 4496 1 998 . 1 1 76 76 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . 4496 1 999 . 1 1 76 76 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . 4496 1 1000 . 1 1 76 76 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . 4496 1 1001 . 1 1 76 76 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4496 1 1002 . 1 1 76 76 LEU CD2 C 13 21.7 0.2 . 1 . . . . . . . . 4496 1 1003 . 1 1 76 76 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 4496 1 1004 . 1 1 77 77 PRO CD C 13 49.4 0.2 . 1 . . . . . . . . 4496 1 1005 . 1 1 77 77 PRO CA C 13 62.2 0.2 . 1 . . . . . . . . 4496 1 1006 . 1 1 77 77 PRO HA H 1 4.32 0.01 . 1 . . . . . . . . 4496 1 1007 . 1 1 77 77 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 4496 1 1008 . 1 1 77 77 PRO HB2 H 1 1.67 0.01 . 2 . . . . . . . . 4496 1 1009 . 1 1 77 77 PRO HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4496 1 1010 . 1 1 77 77 PRO CG C 13 27.0 0.2 . 1 . . . . . . . . 4496 1 1011 . 1 1 77 77 PRO HG2 H 1 1.65 0.01 . 2 . . . . . . . . 4496 1 1012 . 1 1 77 77 PRO HG3 H 1 1.60 0.01 . 2 . . . . . . . . 4496 1 1013 . 1 1 77 77 PRO HD2 H 1 2.98 0.01 . 2 . . . . . . . . 4496 1 1014 . 1 1 77 77 PRO HD3 H 1 2.84 0.01 . 2 . . . . . . . . 4496 1 1015 . 1 1 78 78 THR N N 15 107.8 0.1 . 1 . . . . . . . . 4496 1 1016 . 1 1 78 78 THR H H 1 7.70 0.01 . 1 . . . . . . . . 4496 1 1017 . 1 1 78 78 THR CA C 13 63.4 0.2 . 1 . . . . . . . . 4496 1 1018 . 1 1 78 78 THR HA H 1 4.31 0.01 . 1 . . . . . . . . 4496 1 1019 . 1 1 78 78 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 4496 1 1020 . 1 1 78 78 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 4496 1 1021 . 1 1 78 78 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 4496 1 1022 . 1 1 78 78 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 4496 1 1023 . 1 1 78 78 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 4496 1 1024 . 1 1 78 78 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 4496 1 1025 . 1 1 78 78 THR C C 13 177.7 0.2 . 1 . . . . . . . . 4496 1 1026 . 1 1 79 79 ILE N N 15 121.7 0.1 . 1 . . . . . . . . 4496 1 1027 . 1 1 79 79 ILE H H 1 7.81 0.01 . 1 . . . . . . . . 4496 1 1028 . 1 1 79 79 ILE CA C 13 63.9 0.2 . 1 . . . . . . . . 4496 1 1029 . 1 1 79 79 ILE HA H 1 3.85 0.01 . 1 . . . . . . . . 4496 1 1030 . 1 1 79 79 ILE CB C 13 38.2 0.2 . 1 . . . . . . . . 4496 1 1031 . 1 1 79 79 ILE HB H 1 1.97 0.01 . 1 . . . . . . . . 4496 1 1032 . 1 1 79 79 ILE HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4496 1 1033 . 1 1 79 79 ILE HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4496 1 1034 . 1 1 79 79 ILE HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4496 1 1035 . 1 1 79 79 ILE CG2 C 13 17.8 0.2 . 1 . . . . . . . . 4496 1 1036 . 1 1 79 79 ILE CG1 C 13 29.1 0.2 . 1 . . . . . . . . 4496 1 1037 . 1 1 79 79 ILE HG12 H 1 1.64 0.01 . 2 . . . . . . . . 4496 1 1038 . 1 1 79 79 ILE HG13 H 1 1.16 0.01 . 2 . . . . . . . . 4496 1 1039 . 1 1 79 79 ILE HD11 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1040 . 1 1 79 79 ILE HD12 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1041 . 1 1 79 79 ILE HD13 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1042 . 1 1 79 79 ILE CD1 C 13 14.0 0.2 . 1 . . . . . . . . 4496 1 1043 . 1 1 79 79 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 1044 . 1 1 80 80 SER N N 15 115.4 0.1 . 1 . . . . . . . . 4496 1 1045 . 1 1 80 80 SER H H 1 8.05 0.01 . 1 . . . . . . . . 4496 1 1046 . 1 1 80 80 SER CA C 13 60.8 0.2 . 1 . . . . . . . . 4496 1 1047 . 1 1 80 80 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 4496 1 1048 . 1 1 80 80 SER CB C 13 64.3 0.2 . 1 . . . . . . . . 4496 1 1049 . 1 1 80 80 SER HB2 H 1 3.89 0.01 . 1 . . . . . . . . 4496 1 1050 . 1 1 80 80 SER HB3 H 1 3.89 0.01 . 1 . . . . . . . . 4496 1 1051 . 1 1 80 80 SER C C 13 176.9 0.2 . 1 . . . . . . . . 4496 1 1052 . 1 1 81 81 GLN N N 15 119.8 0.1 . 1 . . . . . . . . 4496 1 1053 . 1 1 81 81 GLN H H 1 7.89 0.01 . 1 . . . . . . . . 4496 1 1054 . 1 1 81 81 GLN CA C 13 57.3 0.2 . 1 . . . . . . . . 4496 1 1055 . 1 1 81 81 GLN HA H 1 4.20 0.01 . 1 . . . . . . . . 4496 1 1056 . 1 1 81 81 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 4496 1 1057 . 1 1 81 81 GLN HB2 H 1 2.11 0.01 . 2 . . . . . . . . 4496 1 1058 . 1 1 81 81 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4496 1 1059 . 1 1 81 81 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 4496 1 1060 . 1 1 81 81 GLN HG2 H 1 2.38 0.01 . 1 . . . . . . . . 4496 1 1061 . 1 1 81 81 GLN HG3 H 1 2.38 0.01 . 1 . . . . . . . . 4496 1 1062 . 1 1 81 81 GLN NE2 N 15 112.0 0.1 . 1 . . . . . . . . 4496 1 1063 . 1 1 81 81 GLN HE21 H 1 6.82 0.01 . 2 . . . . . . . . 4496 1 1064 . 1 1 81 81 GLN HE22 H 1 7.46 0.01 . 2 . . . . . . . . 4496 1 1065 . 1 1 81 81 GLN C C 13 175.5 0.2 . 1 . . . . . . . . 4496 1 1066 . 1 1 82 82 ARG N N 15 119.8 0.1 . 1 . . . . . . . . 4496 1 1067 . 1 1 82 82 ARG H H 1 7.97 0.01 . 1 . . . . . . . . 4496 1 1068 . 1 1 82 82 ARG CA C 13 57.6 0.2 . 1 . . . . . . . . 4496 1 1069 . 1 1 82 82 ARG HA H 1 4.10 0.01 . 1 . . . . . . . . 4496 1 1070 . 1 1 82 82 ARG CB C 13 30.6 0.2 . 1 . . . . . . . . 4496 1 1071 . 1 1 82 82 ARG HB2 H 1 1.86 0.01 . 1 . . . . . . . . 4496 1 1072 . 1 1 82 82 ARG HB3 H 1 1.86 0.01 . 1 . . . . . . . . 4496 1 1073 . 1 1 82 82 ARG CG C 13 27.6 0.2 . 1 . . . . . . . . 4496 1 1074 . 1 1 82 82 ARG HG2 H 1 1.72 0.01 . 1 . . . . . . . . 4496 1 1075 . 1 1 82 82 ARG HG3 H 1 1.72 0.01 . 1 . . . . . . . . 4496 1 1076 . 1 1 82 82 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 4496 1 1077 . 1 1 82 82 ARG HD2 H 1 3.19 0.01 . 1 . . . . . . . . 4496 1 1078 . 1 1 82 82 ARG HD3 H 1 3.19 0.01 . 1 . . . . . . . . 4496 1 1079 . 1 1 82 82 ARG C C 13 177.1 0.2 . 1 . . . . . . . . 4496 1 1080 . 1 1 83 83 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 4496 1 1081 . 1 1 83 83 ILE H H 1 7.87 0.01 . 1 . . . . . . . . 4496 1 1082 . 1 1 83 83 ILE CA C 13 62.5 0.2 . 1 . . . . . . . . 4496 1 1083 . 1 1 83 83 ILE HA H 1 3.99 0.01 . 1 . . . . . . . . 4496 1 1084 . 1 1 83 83 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 4496 1 1085 . 1 1 83 83 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 4496 1 1086 . 1 1 83 83 ILE HG21 H 1 0.86 0.01 . 1 . . . . . . . . 4496 1 1087 . 1 1 83 83 ILE HG22 H 1 0.86 0.01 . 1 . . . . . . . . 4496 1 1088 . 1 1 83 83 ILE HG23 H 1 0.86 0.01 . 1 . . . . . . . . 4496 1 1089 . 1 1 83 83 ILE CG2 C 13 17.4 0.2 . 1 . . . . . . . . 4496 1 1090 . 1 1 83 83 ILE CG1 C 13 28.2 0.2 . 1 . . . . . . . . 4496 1 1091 . 1 1 83 83 ILE HG12 H 1 1.57 0.01 . 2 . . . . . . . . 4496 1 1092 . 1 1 83 83 ILE HG13 H 1 1.16 0.01 . 2 . . . . . . . . 4496 1 1093 . 1 1 83 83 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 4496 1 1094 . 1 1 83 83 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 4496 1 1095 . 1 1 83 83 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 4496 1 1096 . 1 1 83 83 ILE CD1 C 13 13.2 0.2 . 1 . . . . . . . . 4496 1 1097 . 1 1 83 83 ILE C C 13 177.1 0.2 . 1 . . . . . . . . 4496 1 1098 . 1 1 84 84 VAL N N 15 121.1 0.1 . 1 . . . . . . . . 4496 1 1099 . 1 1 84 84 VAL H H 1 7.95 0.01 . 1 . . . . . . . . 4496 1 1100 . 1 1 84 84 VAL CA C 13 63.5 0.2 . 1 . . . . . . . . 4496 1 1101 . 1 1 84 84 VAL HA H 1 4.00 0.01 . 1 . . . . . . . . 4496 1 1102 . 1 1 84 84 VAL CB C 13 32.5 0.2 . 1 . . . . . . . . 4496 1 1103 . 1 1 84 84 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 4496 1 1104 . 1 1 84 84 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . 4496 1 1105 . 1 1 84 84 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . 4496 1 1106 . 1 1 84 84 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . 4496 1 1107 . 1 1 84 84 VAL HG21 H 1 0.99 0.01 . 2 . . . . . . . . 4496 1 1108 . 1 1 84 84 VAL HG22 H 1 0.99 0.01 . 2 . . . . . . . . 4496 1 1109 . 1 1 84 84 VAL HG23 H 1 0.99 0.01 . 2 . . . . . . . . 4496 1 1110 . 1 1 84 84 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 4496 1 1111 . 1 1 84 84 VAL CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4496 1 1112 . 1 1 84 84 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 4496 1 1113 . 1 1 85 85 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4496 1 1114 . 1 1 85 85 SER H H 1 8.16 0.01 . 1 . . . . . . . . 4496 1 1115 . 1 1 85 85 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 4496 1 1116 . 1 1 85 85 SER HA H 1 4.38 0.01 . 1 . . . . . . . . 4496 1 1117 . 1 1 85 85 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4496 1 1118 . 1 1 85 85 SER HB2 H 1 3.91 0.01 . 1 . . . . . . . . 4496 1 1119 . 1 1 85 85 SER HB3 H 1 3.91 0.01 . 1 . . . . . . . . 4496 1 1120 . 1 1 85 85 SER C C 13 177.1 0.2 . 1 . . . . . . . . 4496 1 1121 . 1 1 86 86 ALA N N 15 125.0 0.1 . 1 . . . . . . . . 4496 1 1122 . 1 1 86 86 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 4496 1 1123 . 1 1 86 86 ALA CA C 13 53.3 0.2 . 1 . . . . . . . . 4496 1 1124 . 1 1 86 86 ALA HA H 1 4.24 0.01 . 1 . . . . . . . . 4496 1 1125 . 1 1 86 86 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 4496 1 1126 . 1 1 86 86 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 4496 1 1127 . 1 1 86 86 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 4496 1 1128 . 1 1 86 86 ALA CB C 13 19.1 0.2 . 1 . . . . . . . . 4496 1 1129 . 1 1 86 86 ALA C C 13 174.8 0.2 . 1 . . . . . . . . 4496 1 1130 . 1 1 87 87 GLN N N 15 117.8 0.1 . 1 . . . . . . . . 4496 1 1131 . 1 1 87 87 GLN H H 1 8.12 0.01 . 1 . . . . . . . . 4496 1 1132 . 1 1 87 87 GLN CA C 13 56.5 0.2 . 1 . . . . . . . . 4496 1 1133 . 1 1 87 87 GLN HA H 1 4.26 0.01 . 1 . . . . . . . . 4496 1 1134 . 1 1 87 87 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 4496 1 1135 . 1 1 87 87 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 4496 1 1136 . 1 1 87 87 GLN HB3 H 1 2.18 0.01 . 2 . . . . . . . . 4496 1 1137 . 1 1 87 87 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 4496 1 1138 . 1 1 87 87 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 4496 1 1139 . 1 1 87 87 GLN HG3 H 1 2.40 0.01 . 1 . . . . . . . . 4496 1 1140 . 1 1 87 87 GLN NE2 N 15 111.8 0.1 . 1 . . . . . . . . 4496 1 1141 . 1 1 87 87 GLN HE21 H 1 6.81 0.01 . 2 . . . . . . . . 4496 1 1142 . 1 1 87 87 GLN HE22 H 1 7.47 0.01 . 2 . . . . . . . . 4496 1 1143 . 1 1 87 87 GLN C C 13 178.0 0.2 . 1 . . . . . . . . 4496 1 1144 . 1 1 88 88 SER N N 15 116.0 0.1 . 1 . . . . . . . . 4496 1 1145 . 1 1 88 88 SER H H 1 8.10 0.01 . 1 . . . . . . . . 4496 1 1146 . 1 1 88 88 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4496 1 1147 . 1 1 88 88 SER HA H 1 4.43 0.01 . 1 . . . . . . . . 4496 1 1148 . 1 1 88 88 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 4496 1 1149 . 1 1 88 88 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 4496 1 1150 . 1 1 88 88 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 4496 1 1151 . 1 1 88 88 SER C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 1152 . 1 1 89 89 LEU N N 15 123.6 0.1 . 1 . . . . . . . . 4496 1 1153 . 1 1 89 89 LEU H H 1 8.17 0.01 . 1 . . . . . . . . 4496 1 1154 . 1 1 89 89 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 4496 1 1155 . 1 1 89 89 LEU HA H 1 4.34 0.01 . 1 . . . . . . . . 4496 1 1156 . 1 1 89 89 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 4496 1 1157 . 1 1 89 89 LEU HB2 H 1 1.69 0.01 . 2 . . . . . . . . 4496 1 1158 . 1 1 89 89 LEU HB3 H 1 1.61 0.01 . 2 . . . . . . . . 4496 1 1159 . 1 1 89 89 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4496 1 1160 . 1 1 89 89 LEU HG H 1 1.64 0.01 . 1 . . . . . . . . 4496 1 1161 . 1 1 89 89 LEU HD11 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 1162 . 1 1 89 89 LEU HD12 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 1163 . 1 1 89 89 LEU HD13 H 1 0.86 0.01 . 2 . . . . . . . . 4496 1 1164 . 1 1 89 89 LEU HD21 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 1165 . 1 1 89 89 LEU HD22 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 1166 . 1 1 89 89 LEU HD23 H 1 0.91 0.01 . 2 . . . . . . . . 4496 1 1167 . 1 1 89 89 LEU CD1 C 13 23.4 0.2 . 1 . . . . . . . . 4496 1 1168 . 1 1 89 89 LEU CD2 C 13 25.1 0.2 . 1 . . . . . . . . 4496 1 1169 . 1 1 89 89 LEU C C 13 174.5 0.2 . 1 . . . . . . . . 4496 1 1170 . 1 1 90 90 GLY N N 15 109.2 0.1 . 1 . . . . . . . . 4496 1 1171 . 1 1 90 90 GLY H H 1 8.34 0.01 . 1 . . . . . . . . 4496 1 1172 . 1 1 90 90 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4496 1 1173 . 1 1 90 90 GLY HA3 H 1 3.94 0.01 . 1 . . . . . . . . 4496 1 1174 . 1 1 90 90 GLY HA2 H 1 3.94 0.01 . 1 . . . . . . . . 4496 1 1175 . 1 1 90 90 GLY C C 13 177.8 0.2 . 1 . . . . . . . . 4496 1 1176 . 1 1 91 91 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 4496 1 1177 . 1 1 91 91 GLU H H 1 8.19 0.01 . 1 . . . . . . . . 4496 1 1178 . 1 1 91 91 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 4496 1 1179 . 1 1 91 91 GLU HA H 1 4.30 0.01 . 1 . . . . . . . . 4496 1 1180 . 1 1 91 91 GLU CB C 13 30.1 0.2 . 1 . . . . . . . . 4496 1 1181 . 1 1 91 91 GLU HB2 H 1 1.91 0.01 . 2 . . . . . . . . 4496 1 1182 . 1 1 91 91 GLU HB3 H 1 2.07 0.01 . 2 . . . . . . . . 4496 1 1183 . 1 1 91 91 GLU CG C 13 35.4 0.2 . 1 . . . . . . . . 4496 1 1184 . 1 1 91 91 GLU HG2 H 1 2.29 0.01 . 1 . . . . . . . . 4496 1 1185 . 1 1 91 91 GLU HG3 H 1 2.29 0.01 . 1 . . . . . . . . 4496 1 1186 . 1 1 91 91 GLU C C 13 174.3 0.2 . 1 . . . . . . . . 4496 1 1187 . 1 1 92 92 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 4496 1 1188 . 1 1 92 92 ASP H H 1 8.38 0.01 . 1 . . . . . . . . 4496 1 1189 . 1 1 92 92 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 4496 1 1190 . 1 1 92 92 ASP HA H 1 4.61 0.01 . 1 . . . . . . . . 4496 1 1191 . 1 1 92 92 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 4496 1 1192 . 1 1 92 92 ASP HB2 H 1 2.59 0.01 . 2 . . . . . . . . 4496 1 1193 . 1 1 92 92 ASP HB3 H 1 2.70 0.01 . 2 . . . . . . . . 4496 1 1194 . 1 1 92 92 ASP C C 13 176.2 0.2 . 1 . . . . . . . . 4496 1 1195 . 1 1 93 93 ASP N N 15 120.2 0.1 . 1 . . . . . . . . 4496 1 1196 . 1 1 93 93 ASP H H 1 8.23 0.01 . 1 . . . . . . . . 4496 1 1197 . 1 1 93 93 ASP CA C 13 54.1 0.2 . 1 . . . . . . . . 4496 1 1198 . 1 1 93 93 ASP HA H 1 4.64 0.01 . 1 . . . . . . . . 4496 1 1199 . 1 1 93 93 ASP CB C 13 40.8 0.2 . 1 . . . . . . . . 4496 1 1200 . 1 1 93 93 ASP HB2 H 1 2.62 0.01 . 2 . . . . . . . . 4496 1 1201 . 1 1 93 93 ASP HB3 H 1 2.73 0.01 . 2 . . . . . . . . 4496 1 1202 . 1 1 93 93 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 4496 1 1203 . 1 1 94 94 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 4496 1 1204 . 1 1 94 94 VAL H H 1 7.96 0.01 . 1 . . . . . . . . 4496 1 1205 . 1 1 94 94 VAL CA C 13 62.2 0.2 . 1 . . . . . . . . 4496 1 1206 . 1 1 94 94 VAL HA H 1 4.12 0.01 . 1 . . . . . . . . 4496 1 1207 . 1 1 94 94 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 4496 1 1208 . 1 1 94 94 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 4496 1 1209 . 1 1 94 94 VAL HG11 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1210 . 1 1 94 94 VAL HG12 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1211 . 1 1 94 94 VAL HG13 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1212 . 1 1 94 94 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1213 . 1 1 94 94 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1214 . 1 1 94 94 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 4496 1 1215 . 1 1 94 94 VAL CG1 C 13 20.3 0.2 . 1 . . . . . . . . 4496 1 1216 . 1 1 94 94 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 4496 1 1217 . 1 1 94 94 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 4496 1 1218 . 1 1 95 95 GLU N N 15 128.7 0.1 . 1 . . . . . . . . 4496 1 1219 . 1 1 95 95 GLU H H 1 7.96 0.01 . 1 . . . . . . . . 4496 1 1220 . 1 1 95 95 GLU CA C 13 57.4 0.2 . 1 . . . . . . . . 4496 1 1221 . 1 1 95 95 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 4496 1 1222 . 1 1 95 95 GLU CB C 13 30.7 0.2 . 1 . . . . . . . . 4496 1 1223 . 1 1 95 95 GLU HB2 H 1 1.87 0.01 . 2 . . . . . . . . 4496 1 1224 . 1 1 95 95 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . 4496 1 1225 . 1 1 95 95 GLU CG C 13 35.3 0.2 . 1 . . . . . . . . 4496 1 1226 . 1 1 95 95 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 1227 . 1 1 95 95 GLU HG3 H 1 2.27 0.01 . 1 . . . . . . . . 4496 1 1228 . 1 1 95 95 GLU C C 13 175.3 0.2 . 1 . . . . . . . . 4496 1 stop_ save_