data_4848 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4848 _Entry.Title ; Conformational Changes in the Isolated N-terminal Domain of 5-Enolpyruvylshikimate-3-phosphate Synthase upon Shikimate-3-phosphate Binding ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-10-04 _Entry.Accession_date 2000-10-04 _Entry.Last_release_date 2001-11-14 _Entry.Original_release_date 2001-11-14 _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 Melissa Stauffer . . . 4848 2 John Young . . . 4848 3 Greg Helms . . . 4848 4 Jeremy Evans . N.S. . 4848 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4848 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1546 4848 '13C chemical shifts' 906 4848 '15N chemical shifts' 218 4848 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2001-11-14 2000-10-04 original author . 4848 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4854 'N-terminal Domain of 5-Enolpyruvylshikimate-3-phosphate Synthase' 4848 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4848 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21447269 _Citation.DOI . _Citation.PubMed_ID 11563562 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequential Assignments of the Isolated N-terminal Domain of 5-Enolpyruvylshikimate-3-phosphate Synthase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 20 _Citation.Journal_issue 4 _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 387 _Citation.Page_last 388 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Melissa Stauffer . E. . 4848 1 2 John Young . K. . 4848 1 3 Greg Helms . L. . 4848 1 4 Jeremy Evans . N.S. . 4848 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4848 1 'EPSP synthase' 4848 1 shikimate-3-phosphate 4848 1 MurA 4848 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_EPSP_synthase _Assembly.Sf_category assembly _Assembly.Sf_framecode EPSP_synthase _Assembly.Entry_ID 4848 _Assembly.ID 1 _Assembly.Name 'N-terminal domain of 5-enolpyruvyl shikimate-3-phosphate synthase' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 2.5.1.9 _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 4848 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 'N-terminal domain' 1 $EPSPS . . . native . . . . . 4848 1 2 shikimate-3-phosphate 2 $S3P . . . native . . . . . 4848 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 1EPS . . . . . ; This deposition is concerned only with the N-terminal domain bound to S3P. The crystal structure 1EPS is for the entire enzyme in the absence of ligands. ; 4848 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'N-terminal domain of 5-enolpyruvyl shikimate-3-phosphate synthase' system 4848 1 'EPSP synthase' abbreviation 4848 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'enolpyruvyltransfer from PEP to Shikimate-3-phosphate to form enolpyruvyl shikimate-3-phosphate' 4848 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_EPSPS _Entity.Sf_category entity _Entity.Sf_framecode EPSPS _Entity.Entry_ID 4848 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'EPSP synthase' _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 ; MESLTLQPIARVDGTINLPG SKSVSNRALLLAALAHGKTV LTNLLDSDDVRHMLNALTAL GVSYTLSADRTRCEIIGNGG PLHAEGALELFLGNAGTAMR PLAAALCLGSNDIVLTGEPR MKERPIGHLVDALRLGGAKI TYLEQENYPPLRLQGGFTGG NVDVDGSVSSQFLTALLMTA PLAPEDTVIRIKGDLVSKPY IDITLNLMKTFGVEIENQHY QQFVVKGGQSYQSPGTYLVE ; _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 240 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 BMRB 4854 . Nterm_EPSPs . . . . . 100.00 240 100.00 100.00 6.32e-172 . . . . 4848 1 2 no PDB 1EPS . "Structure And Topological Symmetry Of The Glyphosphate 5-enol- Pyruvylshikimate-3-phosphate Synthase: A Distinctive Protein Fol" . . . . . 100.00 427 99.58 100.00 8.95e-170 . . . . 4848 1 3 no PDB 1G6S . "Structure Of Epsp Synthase Liganded With Shikimate-3- Phosphate And Glyphosate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 4 no PDB 1G6T . "Structure Of Epsp Synthase Liganded With Shikimate-3- Phosphate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 5 no PDB 1MI4 . "Glyphosate Insensitive G96a Mutant Epsp Synthase Liganded With Shikimate-3-Phosphate" . . . . . 100.00 427 99.58 99.58 2.03e-169 . . . . 4848 1 6 no PDB 1P88 . "Substrate-Induced Structural Changes To The Isolated N- Terminal Domain Of 5-Enolpyruvylshikimate-3-Phosphate Synthase" . . . . . 90.00 216 100.00 100.00 1.04e-153 . . . . 4848 1 7 no PDB 1P89 . "Substrate-Induced Structural Changes To The Isolated N-Terminal Domain Of 5-Enolpyruvylshikimate-3-Phosphate Synthase" . . . . . 90.00 216 100.00 100.00 1.04e-153 . . . . 4848 1 8 no PDB 1Q36 . "Epsp Synthase (Asp313ala) Liganded With Tetrahedral Reaction Intermediate" . . . . . 100.00 427 100.00 100.00 3.14e-170 . . . . 4848 1 9 no PDB 1X8R . "Epsps Liganded With The (s)-phosphonate Analog Of The Tetrahedral Reaction Intermediate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 10 no PDB 1X8T . "Epsps Liganded With The (r)-phosphonate Analog Of The Tetrahedral Reaction Intermediate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 11 no PDB 2AA9 . "Epsp Synthase Liganded With Shikimate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 12 no PDB 2AAY . "Epsp Synthase Liganded With Shikimate And Glyphosate" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 13 no PDB 2PQ9 . "E. Coli Epsps Liganded With (R)-Difluoromethyl Tetrahedral Reaction Intermediate Analog" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 14 no PDB 2QFQ . "E. Coli Epsp Synthase Pro101leu Liganded With S3p" . . . . . 100.00 427 99.58 99.58 8.76e-169 . . . . 4848 1 15 no PDB 2QFS . "E.coli Epsp Synthase Pro101ser Liganded With S3p" . . . . . 100.00 427 99.58 99.58 3.62e-169 . . . . 4848 1 16 no PDB 2QFT . "E.Coli Epsp Synthase Pro101ser Liganded With S3p And Glyphosate" . . . . . 100.00 427 99.58 99.58 3.62e-169 . . . . 4848 1 17 no PDB 2QFU . "E.Coli Epsp Synthase Pro101leu Liganded With S3p And Glyphosate" . . . . . 100.00 427 99.58 99.58 8.76e-169 . . . . 4848 1 18 no PDB 3FJX . "E. Coli Epsp Synthase (T97i) Liganded With S3p" . . . . . 100.00 427 99.58 99.58 2.64e-169 . . . . 4848 1 19 no PDB 3FJZ . "E. Coli Epsp Synthase (T97i) Liganded With S3p And Glyphosate" . . . . . 100.00 427 99.58 99.58 2.64e-169 . . . . 4848 1 20 no PDB 3FK0 . "E. Coli Epsp Synthase (Tips Mutation) Liganded With S3p" . . . . . 100.00 427 99.17 99.17 2.82e-168 . . . . 4848 1 21 no PDB 3FK1 . "E. Coli Epsp Synthase (Tips Mutation) Liganded With S3p And Glyphosate" . . . . . 100.00 427 99.17 99.17 2.82e-168 . . . . 4848 1 22 no DBJ BAA35643 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 23 no DBJ BAB34414 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 24 no DBJ BAG76491 . "3-phosphoshikimate 1-carboxyvinyltransferase [Escherichia coli SE11]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 25 no DBJ BAI24350 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 26 no DBJ BAI29802 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 27 no EMBL CAA25223 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 427 99.58 100.00 8.95e-170 . . . . 4848 1 28 no EMBL CAP75378 . "3-phosphoshikimate 1-carboxyvinyltransferase [Escherichia coli LF82]" . . . . . 100.00 427 98.75 98.75 3.07e-167 . . . . 4848 1 29 no EMBL CAQ31436 . "3-phosphoshikimate-1-carboxyvinyltransferase [Escherichia coli BL21(DE3)]" . . . . . 100.00 427 99.58 99.58 1.61e-169 . . . . 4848 1 30 no EMBL CAQ97812 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli IAI1]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 31 no EMBL CAR02268 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli S88]" . . . . . 100.00 427 98.75 98.75 3.07e-167 . . . . 4848 1 32 no GB AAC32745 . "EPSP synthase AroA [Shigella dysenteriae]" . . . . . 100.00 427 98.75 98.75 3.35e-167 . . . . 4848 1 33 no GB AAC72854 . "3-enolpyruvylshikimate-5-phosphate synthetase [Shigella sonnei]" . . . . . 100.00 427 99.58 99.58 2.07e-169 . . . . 4848 1 34 no GB AAC73994 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 35 no GB AAG55393 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 36 no GB AAN42533 . "5-enolpyruvylshikimate-3-phosphate synthetase [Shigella flexneri 2a str. 301]" . . . . . 100.00 427 99.17 99.58 1.26e-168 . . . . 4848 1 37 no PRF 1006223A . synthase,enolpyruvylshikimate . . . . . 100.00 427 99.58 100.00 8.95e-170 . . . . 4848 1 38 no REF NP_286783 . "3-phosphoshikimate 1-carboxyvinyltransferase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 39 no REF NP_309018 . "3-phosphoshikimate 1-carboxyvinyltransferase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 40 no REF NP_415428 . "5-enolpyruvylshikimate-3-phosphate synthetase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 41 no REF NP_706826 . "3-phosphoshikimate 1-carboxyvinyltransferase [Shigella flexneri 2a str. 301]" . . . . . 100.00 427 99.17 99.58 1.26e-168 . . . . 4848 1 42 no REF NP_752973 . "3-phosphoshikimate 1-carboxyvinyltransferase [Escherichia coli CFT073]" . . . . . 100.00 427 98.75 98.75 2.75e-167 . . . . 4848 1 43 no SP A1A9I5 . "RecName: Full=3-phosphoshikimate 1-carboxyvinyltransferase; AltName: Full=5-enolpyruvylshikimate-3-phosphate synthase; Short=EP" . . . . . 100.00 427 98.75 98.75 3.07e-167 . . . . 4848 1 44 no SP A7ZJZ7 . "RecName: Full=3-phosphoshikimate 1-carboxyvinyltransferase; AltName: Full=5-enolpyruvylshikimate-3-phosphate synthase; Short=EP" . . . . . 100.00 427 100.00 100.00 3.43e-170 . . . . 4848 1 45 no SP A7ZYL1 . "RecName: Full=3-phosphoshikimate 1-carboxyvinyltransferase; AltName: Full=5-enolpyruvylshikimate-3-phosphate synthase; Short=EP" . . . . . 100.00 427 99.58 99.58 1.61e-169 . . . . 4848 1 46 no SP B1IW23 . "RecName: Full=3-phosphoshikimate 1-carboxyvinyltransferase; AltName: Full=5-enolpyruvylshikimate-3-phosphate synthase; Short=EP" . . . . . 100.00 427 99.58 99.58 1.61e-169 . . . . 4848 1 47 no SP B1LJV6 . "RecName: Full=3-phosphoshikimate 1-carboxyvinyltransferase; AltName: Full=5-enolpyruvylshikimate-3-phosphate synthase; Short=EP" . . . . . 100.00 427 98.33 99.17 2.94e-167 . . . . 4848 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'EPSP synthase' common 4848 1 EPSPS abbreviation 4848 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4848 1 2 . GLU . 4848 1 3 . SER . 4848 1 4 . LEU . 4848 1 5 . THR . 4848 1 6 . LEU . 4848 1 7 . GLN . 4848 1 8 . PRO . 4848 1 9 . ILE . 4848 1 10 . ALA . 4848 1 11 . ARG . 4848 1 12 . VAL . 4848 1 13 . ASP . 4848 1 14 . GLY . 4848 1 15 . THR . 4848 1 16 . ILE . 4848 1 17 . ASN . 4848 1 18 . LEU . 4848 1 19 . PRO . 4848 1 20 . GLY . 4848 1 21 . SER . 4848 1 22 . LYS . 4848 1 23 . SER . 4848 1 24 . VAL . 4848 1 25 . SER . 4848 1 26 . ASN . 4848 1 27 . ARG . 4848 1 28 . ALA . 4848 1 29 . LEU . 4848 1 30 . LEU . 4848 1 31 . LEU . 4848 1 32 . ALA . 4848 1 33 . ALA . 4848 1 34 . LEU . 4848 1 35 . ALA . 4848 1 36 . HIS . 4848 1 37 . GLY . 4848 1 38 . LYS . 4848 1 39 . THR . 4848 1 40 . VAL . 4848 1 41 . LEU . 4848 1 42 . THR . 4848 1 43 . ASN . 4848 1 44 . LEU . 4848 1 45 . LEU . 4848 1 46 . ASP . 4848 1 47 . SER . 4848 1 48 . ASP . 4848 1 49 . ASP . 4848 1 50 . VAL . 4848 1 51 . ARG . 4848 1 52 . HIS . 4848 1 53 . MET . 4848 1 54 . LEU . 4848 1 55 . ASN . 4848 1 56 . ALA . 4848 1 57 . LEU . 4848 1 58 . THR . 4848 1 59 . ALA . 4848 1 60 . LEU . 4848 1 61 . GLY . 4848 1 62 . VAL . 4848 1 63 . SER . 4848 1 64 . TYR . 4848 1 65 . THR . 4848 1 66 . LEU . 4848 1 67 . SER . 4848 1 68 . ALA . 4848 1 69 . ASP . 4848 1 70 . ARG . 4848 1 71 . THR . 4848 1 72 . ARG . 4848 1 73 . CYS . 4848 1 74 . GLU . 4848 1 75 . ILE . 4848 1 76 . ILE . 4848 1 77 . GLY . 4848 1 78 . ASN . 4848 1 79 . GLY . 4848 1 80 . GLY . 4848 1 81 . PRO . 4848 1 82 . LEU . 4848 1 83 . HIS . 4848 1 84 . ALA . 4848 1 85 . GLU . 4848 1 86 . GLY . 4848 1 87 . ALA . 4848 1 88 . LEU . 4848 1 89 . GLU . 4848 1 90 . LEU . 4848 1 91 . PHE . 4848 1 92 . LEU . 4848 1 93 . GLY . 4848 1 94 . ASN . 4848 1 95 . ALA . 4848 1 96 . GLY . 4848 1 97 . THR . 4848 1 98 . ALA . 4848 1 99 . MET . 4848 1 100 . ARG . 4848 1 101 . PRO . 4848 1 102 . LEU . 4848 1 103 . ALA . 4848 1 104 . ALA . 4848 1 105 . ALA . 4848 1 106 . LEU . 4848 1 107 . CYS . 4848 1 108 . LEU . 4848 1 109 . GLY . 4848 1 110 . SER . 4848 1 111 . ASN . 4848 1 112 . ASP . 4848 1 113 . ILE . 4848 1 114 . VAL . 4848 1 115 . LEU . 4848 1 116 . THR . 4848 1 117 . GLY . 4848 1 118 . GLU . 4848 1 119 . PRO . 4848 1 120 . ARG . 4848 1 121 . MET . 4848 1 122 . LYS . 4848 1 123 . GLU . 4848 1 124 . ARG . 4848 1 125 . PRO . 4848 1 126 . ILE . 4848 1 127 . GLY . 4848 1 128 . HIS . 4848 1 129 . LEU . 4848 1 130 . VAL . 4848 1 131 . ASP . 4848 1 132 . ALA . 4848 1 133 . LEU . 4848 1 134 . ARG . 4848 1 135 . LEU . 4848 1 136 . GLY . 4848 1 137 . GLY . 4848 1 138 . ALA . 4848 1 139 . LYS . 4848 1 140 . ILE . 4848 1 141 . THR . 4848 1 142 . TYR . 4848 1 143 . LEU . 4848 1 144 . GLU . 4848 1 145 . GLN . 4848 1 146 . GLU . 4848 1 147 . ASN . 4848 1 148 . TYR . 4848 1 149 . PRO . 4848 1 150 . PRO . 4848 1 151 . LEU . 4848 1 152 . ARG . 4848 1 153 . LEU . 4848 1 154 . GLN . 4848 1 155 . GLY . 4848 1 156 . GLY . 4848 1 157 . PHE . 4848 1 158 . THR . 4848 1 159 . GLY . 4848 1 160 . GLY . 4848 1 161 . ASN . 4848 1 162 . VAL . 4848 1 163 . ASP . 4848 1 164 . VAL . 4848 1 165 . ASP . 4848 1 166 . GLY . 4848 1 167 . SER . 4848 1 168 . VAL . 4848 1 169 . SER . 4848 1 170 . SER . 4848 1 171 . GLN . 4848 1 172 . PHE . 4848 1 173 . LEU . 4848 1 174 . THR . 4848 1 175 . ALA . 4848 1 176 . LEU . 4848 1 177 . LEU . 4848 1 178 . MET . 4848 1 179 . THR . 4848 1 180 . ALA . 4848 1 181 . PRO . 4848 1 182 . LEU . 4848 1 183 . ALA . 4848 1 184 . PRO . 4848 1 185 . GLU . 4848 1 186 . ASP . 4848 1 187 . THR . 4848 1 188 . VAL . 4848 1 189 . ILE . 4848 1 190 . ARG . 4848 1 191 . ILE . 4848 1 192 . LYS . 4848 1 193 . GLY . 4848 1 194 . ASP . 4848 1 195 . LEU . 4848 1 196 . VAL . 4848 1 197 . SER . 4848 1 198 . LYS . 4848 1 199 . PRO . 4848 1 200 . TYR . 4848 1 201 . ILE . 4848 1 202 . ASP . 4848 1 203 . ILE . 4848 1 204 . THR . 4848 1 205 . LEU . 4848 1 206 . ASN . 4848 1 207 . LEU . 4848 1 208 . MET . 4848 1 209 . LYS . 4848 1 210 . THR . 4848 1 211 . PHE . 4848 1 212 . GLY . 4848 1 213 . VAL . 4848 1 214 . GLU . 4848 1 215 . ILE . 4848 1 216 . GLU . 4848 1 217 . ASN . 4848 1 218 . GLN . 4848 1 219 . HIS . 4848 1 220 . TYR . 4848 1 221 . GLN . 4848 1 222 . GLN . 4848 1 223 . PHE . 4848 1 224 . VAL . 4848 1 225 . VAL . 4848 1 226 . LYS . 4848 1 227 . GLY . 4848 1 228 . GLY . 4848 1 229 . GLN . 4848 1 230 . SER . 4848 1 231 . TYR . 4848 1 232 . GLN . 4848 1 233 . SER . 4848 1 234 . PRO . 4848 1 235 . GLY . 4848 1 236 . THR . 4848 1 237 . TYR . 4848 1 238 . LEU . 4848 1 239 . VAL . 4848 1 240 . GLU . 4848 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4848 1 . GLU 2 2 4848 1 . SER 3 3 4848 1 . LEU 4 4 4848 1 . THR 5 5 4848 1 . LEU 6 6 4848 1 . GLN 7 7 4848 1 . PRO 8 8 4848 1 . ILE 9 9 4848 1 . ALA 10 10 4848 1 . ARG 11 11 4848 1 . VAL 12 12 4848 1 . ASP 13 13 4848 1 . GLY 14 14 4848 1 . THR 15 15 4848 1 . ILE 16 16 4848 1 . ASN 17 17 4848 1 . LEU 18 18 4848 1 . PRO 19 19 4848 1 . GLY 20 20 4848 1 . SER 21 21 4848 1 . LYS 22 22 4848 1 . SER 23 23 4848 1 . VAL 24 24 4848 1 . SER 25 25 4848 1 . ASN 26 26 4848 1 . ARG 27 27 4848 1 . ALA 28 28 4848 1 . LEU 29 29 4848 1 . LEU 30 30 4848 1 . LEU 31 31 4848 1 . ALA 32 32 4848 1 . ALA 33 33 4848 1 . LEU 34 34 4848 1 . ALA 35 35 4848 1 . HIS 36 36 4848 1 . GLY 37 37 4848 1 . LYS 38 38 4848 1 . THR 39 39 4848 1 . VAL 40 40 4848 1 . LEU 41 41 4848 1 . THR 42 42 4848 1 . ASN 43 43 4848 1 . LEU 44 44 4848 1 . LEU 45 45 4848 1 . ASP 46 46 4848 1 . SER 47 47 4848 1 . ASP 48 48 4848 1 . ASP 49 49 4848 1 . VAL 50 50 4848 1 . ARG 51 51 4848 1 . HIS 52 52 4848 1 . MET 53 53 4848 1 . LEU 54 54 4848 1 . ASN 55 55 4848 1 . ALA 56 56 4848 1 . LEU 57 57 4848 1 . THR 58 58 4848 1 . ALA 59 59 4848 1 . LEU 60 60 4848 1 . GLY 61 61 4848 1 . VAL 62 62 4848 1 . SER 63 63 4848 1 . TYR 64 64 4848 1 . THR 65 65 4848 1 . LEU 66 66 4848 1 . SER 67 67 4848 1 . ALA 68 68 4848 1 . ASP 69 69 4848 1 . ARG 70 70 4848 1 . THR 71 71 4848 1 . ARG 72 72 4848 1 . CYS 73 73 4848 1 . GLU 74 74 4848 1 . ILE 75 75 4848 1 . ILE 76 76 4848 1 . GLY 77 77 4848 1 . ASN 78 78 4848 1 . GLY 79 79 4848 1 . GLY 80 80 4848 1 . PRO 81 81 4848 1 . LEU 82 82 4848 1 . HIS 83 83 4848 1 . ALA 84 84 4848 1 . GLU 85 85 4848 1 . GLY 86 86 4848 1 . ALA 87 87 4848 1 . LEU 88 88 4848 1 . GLU 89 89 4848 1 . LEU 90 90 4848 1 . PHE 91 91 4848 1 . LEU 92 92 4848 1 . GLY 93 93 4848 1 . ASN 94 94 4848 1 . ALA 95 95 4848 1 . GLY 96 96 4848 1 . THR 97 97 4848 1 . ALA 98 98 4848 1 . MET 99 99 4848 1 . ARG 100 100 4848 1 . PRO 101 101 4848 1 . LEU 102 102 4848 1 . ALA 103 103 4848 1 . ALA 104 104 4848 1 . ALA 105 105 4848 1 . LEU 106 106 4848 1 . CYS 107 107 4848 1 . LEU 108 108 4848 1 . GLY 109 109 4848 1 . SER 110 110 4848 1 . ASN 111 111 4848 1 . ASP 112 112 4848 1 . ILE 113 113 4848 1 . VAL 114 114 4848 1 . LEU 115 115 4848 1 . THR 116 116 4848 1 . GLY 117 117 4848 1 . GLU 118 118 4848 1 . PRO 119 119 4848 1 . ARG 120 120 4848 1 . MET 121 121 4848 1 . LYS 122 122 4848 1 . GLU 123 123 4848 1 . ARG 124 124 4848 1 . PRO 125 125 4848 1 . ILE 126 126 4848 1 . GLY 127 127 4848 1 . HIS 128 128 4848 1 . LEU 129 129 4848 1 . VAL 130 130 4848 1 . ASP 131 131 4848 1 . ALA 132 132 4848 1 . LEU 133 133 4848 1 . ARG 134 134 4848 1 . LEU 135 135 4848 1 . GLY 136 136 4848 1 . GLY 137 137 4848 1 . ALA 138 138 4848 1 . LYS 139 139 4848 1 . ILE 140 140 4848 1 . THR 141 141 4848 1 . TYR 142 142 4848 1 . LEU 143 143 4848 1 . GLU 144 144 4848 1 . GLN 145 145 4848 1 . GLU 146 146 4848 1 . ASN 147 147 4848 1 . TYR 148 148 4848 1 . PRO 149 149 4848 1 . PRO 150 150 4848 1 . LEU 151 151 4848 1 . ARG 152 152 4848 1 . LEU 153 153 4848 1 . GLN 154 154 4848 1 . GLY 155 155 4848 1 . GLY 156 156 4848 1 . PHE 157 157 4848 1 . THR 158 158 4848 1 . GLY 159 159 4848 1 . GLY 160 160 4848 1 . ASN 161 161 4848 1 . VAL 162 162 4848 1 . ASP 163 163 4848 1 . VAL 164 164 4848 1 . ASP 165 165 4848 1 . GLY 166 166 4848 1 . SER 167 167 4848 1 . VAL 168 168 4848 1 . SER 169 169 4848 1 . SER 170 170 4848 1 . GLN 171 171 4848 1 . PHE 172 172 4848 1 . LEU 173 173 4848 1 . THR 174 174 4848 1 . ALA 175 175 4848 1 . LEU 176 176 4848 1 . LEU 177 177 4848 1 . MET 178 178 4848 1 . THR 179 179 4848 1 . ALA 180 180 4848 1 . PRO 181 181 4848 1 . LEU 182 182 4848 1 . ALA 183 183 4848 1 . PRO 184 184 4848 1 . GLU 185 185 4848 1 . ASP 186 186 4848 1 . THR 187 187 4848 1 . VAL 188 188 4848 1 . ILE 189 189 4848 1 . ARG 190 190 4848 1 . ILE 191 191 4848 1 . LYS 192 192 4848 1 . GLY 193 193 4848 1 . ASP 194 194 4848 1 . LEU 195 195 4848 1 . VAL 196 196 4848 1 . SER 197 197 4848 1 . LYS 198 198 4848 1 . PRO 199 199 4848 1 . TYR 200 200 4848 1 . ILE 201 201 4848 1 . ASP 202 202 4848 1 . ILE 203 203 4848 1 . THR 204 204 4848 1 . LEU 205 205 4848 1 . ASN 206 206 4848 1 . LEU 207 207 4848 1 . MET 208 208 4848 1 . LYS 209 209 4848 1 . THR 210 210 4848 1 . PHE 211 211 4848 1 . GLY 212 212 4848 1 . VAL 213 213 4848 1 . GLU 214 214 4848 1 . ILE 215 215 4848 1 . GLU 216 216 4848 1 . ASN 217 217 4848 1 . GLN 218 218 4848 1 . HIS 219 219 4848 1 . TYR 220 220 4848 1 . GLN 221 221 4848 1 . GLN 222 222 4848 1 . PHE 223 223 4848 1 . VAL 224 224 4848 1 . VAL 225 225 4848 1 . LYS 226 226 4848 1 . GLY 227 227 4848 1 . GLY 228 228 4848 1 . GLN 229 229 4848 1 . SER 230 230 4848 1 . TYR 231 231 4848 1 . GLN 232 232 4848 1 . SER 233 233 4848 1 . PRO 234 234 4848 1 . GLY 235 235 4848 1 . THR 236 236 4848 1 . TYR 237 237 4848 1 . LEU 238 238 4848 1 . VAL 239 239 4848 1 . GLU 240 240 4848 1 stop_ save_ save_S3P _Entity.Sf_category entity _Entity.Sf_framecode S3P _Entity.Entry_ID 4848 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name shikimate-3-phosphate _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label $chem_comp_S3P _Entity.Number_of_monomers 1 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID shikimate-3-phosphate common 4848 2 S3P abbreviation 4848 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . S3P . 4848 2 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . S3P 1 1 4848 2 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 4848 _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 $EPSPS . 562 . . 'Eschericia coli' 'E. coli' . . Eubacteria . Eschericia coli . . . . . . . . . . . . . . . . aroA . . . . 4848 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 4848 _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 $EPSPS . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4848 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_S3P _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_S3P _Chem_comp.Entry_ID 4848 _Chem_comp.ID S3P _Chem_comp.Provenance PDB _Chem_comp.Name SHIKIMATE-3-PHOSPHATE _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code S3P _Chem_comp.PDB_code S3P _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 2000-11-16 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code S3P _Chem_comp.Number_atoms_all 27 _Chem_comp.Number_atoms_nh 16 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C7 H11 O8 P' _Chem_comp.Formula_weight 254.131 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1G6T _Chem_comp.Processing_site PDBJ _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1S/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,14)/t4-,5-,6+/m1/s1 InChI InChI 1.03 4848 S3P QYOJSKGCWNAKGW-PBXRRBTRSA-N InChIKey InChI 1.03 4848 S3P O=C(O)C1=CC(OP(=O)(O)O)C(O)C(O)C1 SMILES ACDLabs 10.04 4848 S3P O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O)C(O)=O SMILES CACTVS 3.341 4848 S3P C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O SMILES 'OpenEye OEToolkits' 1.5.0 4848 S3P O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[C@H]1O)C(O)=O SMILES_CANONICAL CACTVS 3.341 4848 S3P C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O)O SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4848 S3P stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(3R,4S,5R)-4,5-dihydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid' 'SYSTEMATIC NAME' ACDLabs 10.04 4848 S3P '(3R,4S,5R)-4,5-dihydroxy-3-phosphonooxy-cyclohexene-1-carboxylic acid' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4848 S3P stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 C1 C1 C1 . C . . N 0 . . . 1 no no . . . . 56.434 . 12.394 . 28.141 . -0.284 0.031 2.050 1 . 4848 S3P C2 C2 C2 C2 . C . . N 0 . . . 1 no no . . . . 55.310 . 11.556 . 28.296 . -0.683 -0.029 0.797 2 . 4848 S3P C3 C3 C3 C3 . C . . R 0 . . . 1 no no . . . . 55.351 . 10.296 . 29.102 . 0.251 -0.029 -0.376 3 . 4848 S3P C4 C4 C4 C4 . C . . S 0 . . . 1 no no . . . . 56.563 . 10.256 . 30.038 . 1.638 0.470 0.048 4 . 4848 S3P C5 C5 C5 C5 . C . . R 0 . . . 1 no no . . . . 57.844 . 10.617 . 29.272 . 2.062 -0.299 1.304 5 . 4848 S3P C6 C6 C6 C6 . C . . N 0 . . . 1 no no . . . . 57.688 . 12.080 . 28.779 . 1.156 0.117 2.464 6 . 4848 S3P C7 C7 C7 C7 . C . . N 0 . . . 1 no no . . . . 56.298 . 13.628 . 27.298 . -1.307 0.014 3.104 7 . 4848 S3P H2 H2 H2 H2 . H . . N 0 . . . 1 no no . . . . 54.391 . 11.888 . 27.783 . -1.744 -0.082 0.603 17 . 4848 S3P H3 H3 H3 H3 . H . . N 0 . . . 1 no no . . . . 54.469 . 10.253 . 29.782 . 0.338 -1.042 -0.769 18 . 4848 S3P H4 H4 H4 H4 . H . . N 0 . . . 1 no no . . . . 56.465 . 11.012 . 30.851 . 2.353 0.291 -0.754 19 . 4848 S3P H5 H5 H5 H5 . H . . N 0 . . . 1 no no . . . . 58.000 . 9.928 . 28.409 . 3.098 -0.062 1.546 20 . 4848 S3P H61 H61 H61 1H6 . H . . N 0 . . . 1 no no . . . . 58.535 . 12.346 . 28.104 . 1.327 -0.544 3.313 21 . 4848 S3P H62 H62 H62 2H6 . H . . N 0 . . . 1 no no . . . . 57.874 . 12.787 . 29.620 . 1.388 1.142 2.754 22 . 4848 S3P HO2 HO2 HO2 HO2 . H . . N 0 . . . 1 no no . . . . 57.371 . 8.947 . 31.198 . 2.468 2.138 0.597 23 . 4848 S3P HO3 HO3 HO3 HO3 . H . . N 0 . . . 1 no no . . . . 59.755 . 10.726 . 29.652 . 2.203 -2.147 1.890 24 . 4848 S3P HO4 HO4 HO4 HO4 . H . . N 0 . . . 1 no no . . . . 55.307 . 14.411 . 25.905 . -1.615 0.063 5.094 25 . 4848 S3P HO7 HO7 HO7 HO7 . H . . N 0 . . . 1 no no . . . . 52.763 . 7.100 . 29.079 . -1.201 0.243 -4.656 26 . 4848 S3P HO8 HO8 HO8 HO8 . H . . N 0 . . . 1 no no . . . . 53.643 . 6.531 . 26.756 . 1.504 0.009 -3.352 27 . 4848 S3P O1 O1 O1 O1 . O . . N 0 . . . 1 no no . . . . 55.273 . 9.120 . 28.166 . -0.266 0.829 -1.394 8 . 4848 S3P O2 O2 O2 O2 . O . . N 0 . . . 1 no no . . . . 56.620 . 8.972 . 30.618 . 1.577 1.868 0.335 9 . 4848 S3P O3 O3 O3 O3 . O . . N 0 . . . 1 no no . . . . 58.963 . 10.503 . 30.126 . 1.933 -1.703 1.074 10 . 4848 S3P O4 O4 O4 O4 . O . . N 0 . . . 1 no no . . . . 55.394 . 13.630 . 26.439 . -0.941 0.074 4.400 11 . 4848 S3P O5 O5 O5 O5 . O . . N 0 . . . 1 no no . . . . 57.077 . 14.574 . 27.497 . -2.484 -0.053 2.808 12 . 4848 S3P O6 O6 O6 O6 . O . . N 0 . . . 1 no no . . . . 52.883 . 8.963 . 27.253 . -1.454 -1.163 -2.388 14 . 4848 S3P O7 O7 O7 O7 . O . . N 0 . . . 1 no no . . . . 53.519 . 7.654 . 29.241 . -1.080 0.826 -3.894 15 . 4848 S3P O8 O8 O8 O8 . O . . N 0 . . . 1 no no . . . . 54.399 . 7.085 . 26.918 . 0.909 -0.726 -3.157 16 . 4848 S3P P1 P1 P1 P1 . P . . N 0 . . . 1 no no . . . . 53.891 . 8.107 . 27.871 . -0.494 -0.082 -2.701 13 . 4848 S3P stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . DOUB C1 C2 no N 1 . 4848 S3P 2 . SING C1 C6 no N 2 . 4848 S3P 3 . SING C1 C7 no N 3 . 4848 S3P 4 . SING C2 C3 no N 4 . 4848 S3P 5 . SING C2 H2 no N 5 . 4848 S3P 6 . SING C3 C4 no N 6 . 4848 S3P 7 . SING C3 O1 no N 7 . 4848 S3P 8 . SING C3 H3 no N 8 . 4848 S3P 9 . SING C4 C5 no N 9 . 4848 S3P 10 . SING C4 O2 no N 10 . 4848 S3P 11 . SING C4 H4 no N 11 . 4848 S3P 12 . SING C5 C6 no N 12 . 4848 S3P 13 . SING C5 O3 no N 13 . 4848 S3P 14 . SING C5 H5 no N 14 . 4848 S3P 15 . SING C6 H61 no N 15 . 4848 S3P 16 . SING C6 H62 no N 16 . 4848 S3P 17 . SING C7 O4 no N 17 . 4848 S3P 18 . DOUB C7 O5 no N 18 . 4848 S3P 19 . SING O1 P1 no N 19 . 4848 S3P 20 . SING O2 HO2 no N 20 . 4848 S3P 21 . SING O3 HO3 no N 21 . 4848 S3P 22 . SING O4 HO4 no N 22 . 4848 S3P 23 . DOUB P1 O6 no N 23 . 4848 S3P 24 . SING P1 O7 no N 24 . 4848 S3P 25 . SING P1 O8 no N 25 . 4848 S3P 26 . SING O7 HO7 no N 26 . 4848 S3P 27 . SING O8 HO8 no N 27 . 4848 S3P stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Nterm+S3P _Sample.Sf_category sample _Sample.Sf_framecode Nterm+S3P _Sample.Entry_ID 4848 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'EPSP synthase' '[U-15N; U-13C; U70%-2H]' . . 1 $EPSPS . . 1.0 . . mM . . . . 4848 1 2 shikimate-3-phosphate . . . 2 $S3P . . 1.5 . . mM . . . . 4848 1 3 'Tris buffer' . . . . . . . 50 . . mM . . . . 4848 1 4 DTT . . . . . . . 1 . . mM . . . . 4848 1 5 NaN3 . . . . . . . 3 . . mM . . . . 4848 1 6 pepstatin . . . . . . . . . . uM . . . . 4848 1 7 leupeptin . . . . . . . . . . uM . . . . 4848 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4848 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH* 7.8 0.1 n/a 4848 1 temperature 295 1 K 4848 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4848 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4848 _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 Varian Inova . 500 . . . 4848 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 4848 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4848 _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 H2O 'water proton' . . . . ppm 4.74 internal direct 1.00 internal cylindrical parallel_to_Bo . . . . . . 4848 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4848 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4848 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_Nterm+S3P_cs _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode Nterm+S3P_cs _Assigned_chem_shift_list.Entry_ID 4848 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $Nterm+S3P . 4848 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 MET HE1 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2 . 1 1 1 1 MET HE2 H 1 2.06 0.05 . . . . . . . . . . 4848 1 3 . 1 1 1 1 MET HE3 H 1 2.06 0.05 . . . . . . . . . . 4848 1 4 . 1 1 1 1 MET CE C 13 16.58 0.5 . . . . . . . . . . 4848 1 5 . 1 1 3 3 SER H H 1 8.30 0.05 . . . . . . . . . . 4848 1 6 . 1 1 3 3 SER N N 15 118.58 0.5 . . . . . . . . . . 4848 1 7 . 1 1 3 3 SER HA H 1 4.28 0.05 . . . . . . . . . . 4848 1 8 . 1 1 3 3 SER CA C 13 61.55 0.5 . . . . . . . . . . 4848 1 9 . 1 1 3 3 SER HB2 H 1 4.00 0.05 . . . . . . . . . . 4848 1 10 . 1 1 3 3 SER HB3 H 1 4.00 0.05 . . . . . . . . . . 4848 1 11 . 1 1 3 3 SER CB C 13 65.23 0.5 . . . . . . . . . . 4848 1 12 . 1 1 3 3 SER C C 13 174.94 0.5 . . . . . . . . . . 4848 1 13 . 1 1 4 4 LEU H H 1 7.99 0.05 . . . . . . . . . . 4848 1 14 . 1 1 4 4 LEU N N 15 129.07 0.5 . . . . . . . . . . 4848 1 15 . 1 1 4 4 LEU HA H 1 4.38 0.05 . . . . . . . . . . 4848 1 16 . 1 1 4 4 LEU CA C 13 55.47 0.5 . . . . . . . . . . 4848 1 17 . 1 1 4 4 LEU HB2 H 1 1.60 0.05 . . . . . . . . . . 4848 1 18 . 1 1 4 4 LEU HB3 H 1 1.60 0.05 . . . . . . . . . . 4848 1 19 . 1 1 4 4 LEU CB C 13 42.01 0.5 . . . . . . . . . . 4848 1 20 . 1 1 4 4 LEU HG H 1 1.45 0.05 . . . . . . . . . . 4848 1 21 . 1 1 4 4 LEU CG C 13 24.25 0.5 . . . . . . . . . . 4848 1 22 . 1 1 4 4 LEU HD11 H 1 0.84 0.05 . . . . . . . . . . 4848 1 23 . 1 1 4 4 LEU HD12 H 1 0.84 0.05 . . . . . . . . . . 4848 1 24 . 1 1 4 4 LEU HD13 H 1 0.84 0.05 . . . . . . . . . . 4848 1 25 . 1 1 4 4 LEU HD21 H 1 0.89 0.05 . . . . . . . . . . 4848 1 26 . 1 1 4 4 LEU HD22 H 1 0.89 0.05 . . . . . . . . . . 4848 1 27 . 1 1 4 4 LEU HD23 H 1 0.89 0.05 . . . . . . . . . . 4848 1 28 . 1 1 4 4 LEU CD1 C 13 22.71 0.5 . . . . . . . . . . 4848 1 29 . 1 1 4 4 LEU CD2 C 13 22.71 0.5 . . . . . . . . . . 4848 1 30 . 1 1 4 4 LEU C C 13 174.91 0.5 . . . . . . . . . . 4848 1 31 . 1 1 5 5 THR H H 1 8.14 0.05 . . . . . . . . . . 4848 1 32 . 1 1 5 5 THR N N 15 115.06 0.5 . . . . . . . . . . 4848 1 33 . 1 1 5 5 THR HA H 1 4.29 0.05 . . . . . . . . . . 4848 1 34 . 1 1 5 5 THR CA C 13 61.70 0.5 . . . . . . . . . . 4848 1 35 . 1 1 5 5 THR HB H 1 4.17 0.05 . . . . . . . . . . 4848 1 36 . 1 1 5 5 THR CB C 13 69.41 0.5 . . . . . . . . . . 4848 1 37 . 1 1 5 5 THR HG21 H 1 1.16 0.05 . . . . . . . . . . 4848 1 38 . 1 1 5 5 THR HG22 H 1 1.16 0.05 . . . . . . . . . . 4848 1 39 . 1 1 5 5 THR HG23 H 1 1.16 0.05 . . . . . . . . . . 4848 1 40 . 1 1 5 5 THR CG2 C 13 21.25 0.5 . . . . . . . . . . 4848 1 41 . 1 1 5 5 THR C C 13 177.48 0.5 . . . . . . . . . . 4848 1 42 . 1 1 6 6 LEU H H 1 8.18 0.05 . . . . . . . . . . 4848 1 43 . 1 1 6 6 LEU N N 15 124.66 0.5 . . . . . . . . . . 4848 1 44 . 1 1 6 6 LEU HA H 1 4.34 0.05 . . . . . . . . . . 4848 1 45 . 1 1 6 6 LEU CA C 13 54.66 0.5 . . . . . . . . . . 4848 1 46 . 1 1 6 6 LEU HB2 H 1 1.88 0.05 . . . . . . . . . . 4848 1 47 . 1 1 6 6 LEU HB3 H 1 1.88 0.05 . . . . . . . . . . 4848 1 48 . 1 1 6 6 LEU CB C 13 41.72 0.5 . . . . . . . . . . 4848 1 49 . 1 1 6 6 LEU HG H 1 1.59 0.05 . . . . . . . . . . 4848 1 50 . 1 1 6 6 LEU CG C 13 24.33 0.5 . . . . . . . . . . 4848 1 51 . 1 1 6 6 LEU HD11 H 1 0.83 0.05 . . . . . . . . . . 4848 1 52 . 1 1 6 6 LEU HD12 H 1 0.83 0.05 . . . . . . . . . . 4848 1 53 . 1 1 6 6 LEU HD13 H 1 0.83 0.05 . . . . . . . . . . 4848 1 54 . 1 1 6 6 LEU HD21 H 1 0.83 0.05 . . . . . . . . . . 4848 1 55 . 1 1 6 6 LEU HD22 H 1 0.83 0.05 . . . . . . . . . . 4848 1 56 . 1 1 6 6 LEU HD23 H 1 0.83 0.05 . . . . . . . . . . 4848 1 57 . 1 1 6 6 LEU CD1 C 13 22.93 0.5 . . . . . . . . . . 4848 1 58 . 1 1 6 6 LEU CD2 C 13 22.93 0.5 . . . . . . . . . . 4848 1 59 . 1 1 6 6 LEU C C 13 176.90 0.5 . . . . . . . . . . 4848 1 60 . 1 1 7 7 GLN H H 1 8.30 0.05 . . . . . . . . . . 4848 1 61 . 1 1 7 7 GLN N N 15 122.24 0.5 . . . . . . . . . . 4848 1 62 . 1 1 7 7 GLN HA H 1 4.60 0.05 . . . . . . . . . . 4848 1 63 . 1 1 7 7 GLN CA C 13 53.20 0.5 . . . . . . . . . . 4848 1 64 . 1 1 7 7 GLN HB2 H 1 1.52 0.05 . . . . . . . . . . 4848 1 65 . 1 1 7 7 GLN HB3 H 1 1.60 0.05 . . . . . . . . . . 4848 1 66 . 1 1 7 7 GLN CB C 13 28.46 0.5 . . . . . . . . . . 4848 1 67 . 1 1 7 7 GLN HG2 H 1 2.36 0.05 . . . . . . . . . . 4848 1 68 . 1 1 7 7 GLN HG3 H 1 2.39 0.05 . . . . . . . . . . 4848 1 69 . 1 1 7 7 GLN CG C 13 33.37 0.5 . . . . . . . . . . 4848 1 70 . 1 1 7 7 GLN C C 13 173.93 0.5 . . . . . . . . . . 4848 1 71 . 1 1 8 8 PRO HA H 1 4.43 0.05 . . . . . . . . . . 4848 1 72 . 1 1 8 8 PRO CA C 13 62.97 0.5 . . . . . . . . . . 4848 1 73 . 1 1 8 8 PRO HB2 H 1 2.25 0.05 . . . . . . . . . . 4848 1 74 . 1 1 8 8 PRO HB3 H 1 2.25 0.05 . . . . . . . . . . 4848 1 75 . 1 1 8 8 PRO CB C 13 31.65 0.5 . . . . . . . . . . 4848 1 76 . 1 1 8 8 PRO HG2 H 1 1.97 0.05 . . . . . . . . . . 4848 1 77 . 1 1 8 8 PRO HG3 H 1 1.97 0.05 . . . . . . . . . . 4848 1 78 . 1 1 8 8 PRO CG C 13 26.99 0.5 . . . . . . . . . . 4848 1 79 . 1 1 8 8 PRO HD2 H 1 3.65 0.05 . . . . . . . . . . 4848 1 80 . 1 1 8 8 PRO HD3 H 1 3.65 0.05 . . . . . . . . . . 4848 1 81 . 1 1 8 8 PRO CD C 13 50.26 0.5 . . . . . . . . . . 4848 1 82 . 1 1 9 9 ILE H H 1 8.20 0.05 . . . . . . . . . . 4848 1 83 . 1 1 9 9 ILE N N 15 121.06 0.5 . . . . . . . . . . 4848 1 84 . 1 1 9 9 ILE HA H 1 4.10 0.05 . . . . . . . . . . 4848 1 85 . 1 1 9 9 ILE CA C 13 60.67 0.5 . . . . . . . . . . 4848 1 86 . 1 1 9 9 ILE HB H 1 1.82 0.05 . . . . . . . . . . 4848 1 87 . 1 1 9 9 ILE CB C 13 38.37 0.5 . . . . . . . . . . 4848 1 88 . 1 1 9 9 ILE HG12 H 1 1.16 0.05 . . . . . . . . . . 4848 1 89 . 1 1 9 9 ILE HG13 H 1 1.16 0.05 . . . . . . . . . . 4848 1 90 . 1 1 9 9 ILE HG21 H 1 0.87 0.05 . . . . . . . . . . 4848 1 91 . 1 1 9 9 ILE HG22 H 1 0.87 0.05 . . . . . . . . . . 4848 1 92 . 1 1 9 9 ILE HG23 H 1 0.87 0.05 . . . . . . . . . . 4848 1 93 . 1 1 9 9 ILE CG1 C 13 26.70 0.5 . . . . . . . . . . 4848 1 94 . 1 1 9 9 ILE CG2 C 13 17.13 0.5 . . . . . . . . . . 4848 1 95 . 1 1 9 9 ILE HD11 H 1 0.83 0.05 . . . . . . . . . . 4848 1 96 . 1 1 9 9 ILE HD12 H 1 0.83 0.05 . . . . . . . . . . 4848 1 97 . 1 1 9 9 ILE HD13 H 1 0.83 0.05 . . . . . . . . . . 4848 1 98 . 1 1 9 9 ILE CD1 C 13 12.39 0.5 . . . . . . . . . . 4848 1 99 . 1 1 9 9 ILE C C 13 175.91 0.5 . . . . . . . . . . 4848 1 100 . 1 1 10 10 ALA H H 1 8.34 0.05 . . . . . . . . . . 4848 1 101 . 1 1 10 10 ALA N N 15 128.14 0.5 . . . . . . . . . . 4848 1 102 . 1 1 10 10 ALA HA H 1 4.35 0.05 . . . . . . . . . . 4848 1 103 . 1 1 10 10 ALA CA C 13 51.85 0.5 . . . . . . . . . . 4848 1 104 . 1 1 10 10 ALA HB1 H 1 1.33 0.05 . . . . . . . . . . 4848 1 105 . 1 1 10 10 ALA HB2 H 1 1.33 0.05 . . . . . . . . . . 4848 1 106 . 1 1 10 10 ALA HB3 H 1 1.33 0.05 . . . . . . . . . . 4848 1 107 . 1 1 10 10 ALA CB C 13 18.86 0.5 . . . . . . . . . . 4848 1 108 . 1 1 10 10 ALA C C 13 177.27 0.5 . . . . . . . . . . 4848 1 109 . 1 1 11 11 ARG H H 1 8.34 0.05 . . . . . . . . . . 4848 1 110 . 1 1 11 11 ARG N N 15 121.03 0.5 . . . . . . . . . . 4848 1 111 . 1 1 11 11 ARG HA H 1 4.35 0.05 . . . . . . . . . . 4848 1 112 . 1 1 11 11 ARG CA C 13 55.54 0.5 . . . . . . . . . . 4848 1 113 . 1 1 11 11 ARG HB2 H 1 1.74 0.05 . . . . . . . . . . 4848 1 114 . 1 1 11 11 ARG HB3 H 1 1.74 0.05 . . . . . . . . . . 4848 1 115 . 1 1 11 11 ARG CB C 13 30.57 0.5 . . . . . . . . . . 4848 1 116 . 1 1 11 11 ARG HG2 H 1 1.59 0.05 . . . . . . . . . . 4848 1 117 . 1 1 11 11 ARG HG3 H 1 1.59 0.05 . . . . . . . . . . 4848 1 118 . 1 1 11 11 ARG CG C 13 26.79 0.5 . . . . . . . . . . 4848 1 119 . 1 1 11 11 ARG HD2 H 1 3.20 0.05 . . . . . . . . . . 4848 1 120 . 1 1 11 11 ARG HD3 H 1 3.20 0.05 . . . . . . . . . . 4848 1 121 . 1 1 11 11 ARG CD C 13 42.99 0.5 . . . . . . . . . . 4848 1 122 . 1 1 11 11 ARG C C 13 176.52 0.5 . . . . . . . . . . 4848 1 123 . 1 1 12 12 VAL H H 1 8.34 0.05 . . . . . . . . . . 4848 1 124 . 1 1 12 12 VAL N N 15 121.68 0.5 . . . . . . . . . . 4848 1 125 . 1 1 12 12 VAL HA H 1 4.12 0.05 . . . . . . . . . . 4848 1 126 . 1 1 12 12 VAL CA C 13 61.92 0.5 . . . . . . . . . . 4848 1 127 . 1 1 12 12 VAL HB H 1 2.07 0.05 . . . . . . . . . . 4848 1 128 . 1 1 12 12 VAL CB C 13 32.19 0.5 . . . . . . . . . . 4848 1 129 . 1 1 12 12 VAL HG11 H 1 0.84 0.05 . . . . . . . . . . 4848 1 130 . 1 1 12 12 VAL HG12 H 1 0.84 0.05 . . . . . . . . . . 4848 1 131 . 1 1 12 12 VAL HG13 H 1 0.84 0.05 . . . . . . . . . . 4848 1 132 . 1 1 12 12 VAL HG21 H 1 0.91 0.05 . . . . . . . . . . 4848 1 133 . 1 1 12 12 VAL HG22 H 1 0.91 0.05 . . . . . . . . . . 4848 1 134 . 1 1 12 12 VAL HG23 H 1 0.91 0.05 . . . . . . . . . . 4848 1 135 . 1 1 12 12 VAL CG1 C 13 20.02 0.5 . . . . . . . . . . 4848 1 136 . 1 1 12 12 VAL CG2 C 13 20.52 0.5 . . . . . . . . . . 4848 1 137 . 1 1 12 12 VAL C C 13 175.88 0.5 . . . . . . . . . . 4848 1 138 . 1 1 13 13 ASP H H 1 8.39 0.05 . . . . . . . . . . 4848 1 139 . 1 1 13 13 ASP N N 15 123.59 0.5 . . . . . . . . . . 4848 1 140 . 1 1 13 13 ASP HA H 1 4.59 0.05 . . . . . . . . . . 4848 1 141 . 1 1 13 13 ASP CA C 13 54.04 0.5 . . . . . . . . . . 4848 1 142 . 1 1 13 13 ASP HB2 H 1 2.69 0.05 . . . . . . . . . . 4848 1 143 . 1 1 13 13 ASP HB3 H 1 2.69 0.05 . . . . . . . . . . 4848 1 144 . 1 1 13 13 ASP CB C 13 40.88 0.5 . . . . . . . . . . 4848 1 145 . 1 1 13 13 ASP C C 13 176.69 0.5 . . . . . . . . . . 4848 1 146 . 1 1 14 14 GLY H H 1 8.36 0.05 . . . . . . . . . . 4848 1 147 . 1 1 14 14 GLY N N 15 109.18 0.5 . . . . . . . . . . 4848 1 148 . 1 1 14 14 GLY HA2 H 1 3.97 0.05 . . . . . . . . . . 4848 1 149 . 1 1 14 14 GLY HA3 H 1 3.97 0.05 . . . . . . . . . . 4848 1 150 . 1 1 14 14 GLY CA C 13 45.28 0.5 . . . . . . . . . . 4848 1 151 . 1 1 14 14 GLY C C 13 174.43 0.5 . . . . . . . . . . 4848 1 152 . 1 1 15 15 THR H H 1 8.14 0.05 . . . . . . . . . . 4848 1 153 . 1 1 15 15 THR N N 15 114.01 0.5 . . . . . . . . . . 4848 1 154 . 1 1 15 15 THR HA H 1 4.33 0.05 . . . . . . . . . . 4848 1 155 . 1 1 15 15 THR CA C 13 62.18 0.5 . . . . . . . . . . 4848 1 156 . 1 1 15 15 THR HB H 1 4.17 0.05 . . . . . . . . . . 4848 1 157 . 1 1 15 15 THR CB C 13 69.36 0.5 . . . . . . . . . . 4848 1 158 . 1 1 15 15 THR HG21 H 1 1.16 0.05 . . . . . . . . . . 4848 1 159 . 1 1 15 15 THR HG22 H 1 1.16 0.05 . . . . . . . . . . 4848 1 160 . 1 1 15 15 THR HG23 H 1 1.16 0.05 . . . . . . . . . . 4848 1 161 . 1 1 15 15 THR CG2 C 13 21.23 0.5 . . . . . . . . . . 4848 1 162 . 1 1 15 15 THR C C 13 174.49 0.5 . . . . . . . . . . 4848 1 163 . 1 1 16 16 ILE H H 1 8.10 0.05 . . . . . . . . . . 4848 1 164 . 1 1 16 16 ILE N N 15 122.41 0.5 . . . . . . . . . . 4848 1 165 . 1 1 16 16 ILE HA H 1 4.13 0.05 . . . . . . . . . . 4848 1 166 . 1 1 16 16 ILE CA C 13 60.71 0.5 . . . . . . . . . . 4848 1 167 . 1 1 16 16 ILE HB H 1 1.82 0.05 . . . . . . . . . . 4848 1 168 . 1 1 16 16 ILE CB C 13 38.33 0.5 . . . . . . . . . . 4848 1 169 . 1 1 16 16 ILE HG12 H 1 1.16 0.05 . . . . . . . . . . 4848 1 170 . 1 1 16 16 ILE HG13 H 1 1.16 0.05 . . . . . . . . . . 4848 1 171 . 1 1 16 16 ILE HG21 H 1 0.87 0.05 . . . . . . . . . . 4848 1 172 . 1 1 16 16 ILE HG22 H 1 0.87 0.05 . . . . . . . . . . 4848 1 173 . 1 1 16 16 ILE HG23 H 1 0.87 0.05 . . . . . . . . . . 4848 1 174 . 1 1 16 16 ILE CG1 C 13 26.70 0.5 . . . . . . . . . . 4848 1 175 . 1 1 16 16 ILE CG2 C 13 17.13 0.5 . . . . . . . . . . 4848 1 176 . 1 1 16 16 ILE HD11 H 1 0.83 0.05 . . . . . . . . . . 4848 1 177 . 1 1 16 16 ILE HD12 H 1 0.83 0.05 . . . . . . . . . . 4848 1 178 . 1 1 16 16 ILE HD13 H 1 0.83 0.05 . . . . . . . . . . 4848 1 179 . 1 1 16 16 ILE CD1 C 13 12.39 0.5 . . . . . . . . . . 4848 1 180 . 1 1 16 16 ILE C C 13 175.48 0.5 . . . . . . . . . . 4848 1 181 . 1 1 17 17 ASN H H 1 8.34 0.05 . . . . . . . . . . 4848 1 182 . 1 1 17 17 ASN N N 15 128.44 0.5 . . . . . . . . . . 4848 1 183 . 1 1 17 17 ASN HA H 1 4.75 0.05 . . . . . . . . . . 4848 1 184 . 1 1 17 17 ASN CA C 13 51.98 0.5 . . . . . . . . . . 4848 1 185 . 1 1 17 17 ASN HB2 H 1 2.65 0.05 . . . . . . . . . . 4848 1 186 . 1 1 17 17 ASN HB3 H 1 2.78 0.05 . . . . . . . . . . 4848 1 187 . 1 1 17 17 ASN CB C 13 38.73 0.5 . . . . . . . . . . 4848 1 188 . 1 1 17 17 ASN C C 13 174.48 0.5 . . . . . . . . . . 4848 1 189 . 1 1 18 18 LEU H H 1 8.27 0.05 . . . . . . . . . . 4848 1 190 . 1 1 18 18 LEU N N 15 124.24 0.5 . . . . . . . . . . 4848 1 191 . 1 1 18 18 LEU HA H 1 4.60 0.05 . . . . . . . . . . 4848 1 192 . 1 1 18 18 LEU CA C 13 52.81 0.5 . . . . . . . . . . 4848 1 193 . 1 1 18 18 LEU HB2 H 1 1.60 0.05 . . . . . . . . . . 4848 1 194 . 1 1 18 18 LEU HB3 H 1 1.60 0.05 . . . . . . . . . . 4848 1 195 . 1 1 18 18 LEU CB C 13 41.22 0.5 . . . . . . . . . . 4848 1 196 . 1 1 18 18 LEU HG H 1 1.53 0.05 . . . . . . . . . . 4848 1 197 . 1 1 18 18 LEU HD11 H 1 0.83 0.05 . . . . . . . . . . 4848 1 198 . 1 1 18 18 LEU HD12 H 1 0.83 0.05 . . . . . . . . . . 4848 1 199 . 1 1 18 18 LEU HD13 H 1 0.83 0.05 . . . . . . . . . . 4848 1 200 . 1 1 18 18 LEU HD21 H 1 0.87 0.05 . . . . . . . . . . 4848 1 201 . 1 1 18 18 LEU HD22 H 1 0.87 0.05 . . . . . . . . . . 4848 1 202 . 1 1 18 18 LEU HD23 H 1 0.87 0.05 . . . . . . . . . . 4848 1 203 . 1 1 18 18 LEU CD1 C 13 22.55 0.5 . . . . . . . . . . 4848 1 204 . 1 1 18 18 LEU CD2 C 13 22.55 0.5 . . . . . . . . . . 4848 1 205 . 1 1 18 18 LEU C C 13 175.08 0.5 . . . . . . . . . . 4848 1 206 . 1 1 19 19 PRO CA C 13 62.89 0.5 . . . . . . . . . . 4848 1 207 . 1 1 19 19 PRO HB2 H 1 2.56 0.05 . . . . . . . . . . 4848 1 208 . 1 1 19 19 PRO HB3 H 1 2.56 0.05 . . . . . . . . . . 4848 1 209 . 1 1 19 19 PRO CB C 13 30.80 0.5 . . . . . . . . . . 4848 1 210 . 1 1 19 19 PRO HG2 H 1 1.93 0.05 . . . . . . . . . . 4848 1 211 . 1 1 19 19 PRO HG3 H 1 2.00 0.05 . . . . . . . . . . 4848 1 212 . 1 1 19 19 PRO CG C 13 26.87 0.5 . . . . . . . . . . 4848 1 213 . 1 1 19 19 PRO HD2 H 1 3.75 0.05 . . . . . . . . . . 4848 1 214 . 1 1 19 19 PRO HD3 H 1 3.75 0.05 . . . . . . . . . . 4848 1 215 . 1 1 19 19 PRO CD C 13 55.75 0.5 . . . . . . . . . . 4848 1 216 . 1 1 20 20 GLY H H 1 8.29 0.05 . . . . . . . . . . 4848 1 217 . 1 1 20 20 GLY N N 15 108.94 0.5 . . . . . . . . . . 4848 1 218 . 1 1 20 20 GLY HA2 H 1 3.99 0.05 . . . . . . . . . . 4848 1 219 . 1 1 20 20 GLY HA3 H 1 4.29 0.05 . . . . . . . . . . 4848 1 220 . 1 1 20 20 GLY CA C 13 45.14 0.5 . . . . . . . . . . 4848 1 221 . 1 1 22 22 LYS H H 1 8.28 0.05 . . . . . . . . . . 4848 1 222 . 1 1 22 22 LYS N N 15 120.42 0.5 . . . . . . . . . . 4848 1 223 . 1 1 22 22 LYS HA H 1 4.13 0.05 . . . . . . . . . . 4848 1 224 . 1 1 22 22 LYS CA C 13 58.86 0.5 . . . . . . . . . . 4848 1 225 . 1 1 22 22 LYS HB2 H 1 2.05 0.05 . . . . . . . . . . 4848 1 226 . 1 1 22 22 LYS HB3 H 1 2.16 0.05 . . . . . . . . . . 4848 1 227 . 1 1 22 22 LYS HG2 H 1 1.50 0.05 . . . . . . . . . . 4848 1 228 . 1 1 22 22 LYS HG3 H 1 1.50 0.05 . . . . . . . . . . 4848 1 229 . 1 1 22 22 LYS CG C 13 24.76 0.5 . . . . . . . . . . 4848 1 230 . 1 1 22 22 LYS HD2 H 1 1.77 0.05 . . . . . . . . . . 4848 1 231 . 1 1 22 22 LYS HD3 H 1 1.75 0.05 . . . . . . . . . . 4848 1 232 . 1 1 22 22 LYS CD C 13 29.64 0.5 . . . . . . . . . . 4848 1 233 . 1 1 22 22 LYS HE2 H 1 3.08 0.05 . . . . . . . . . . 4848 1 234 . 1 1 22 22 LYS HE3 H 1 3.08 0.05 . . . . . . . . . . 4848 1 235 . 1 1 22 22 LYS CE C 13 44.13 0.5 . . . . . . . . . . 4848 1 236 . 1 1 24 24 VAL H H 1 7.69 0.05 . . . . . . . . . . 4848 1 237 . 1 1 24 24 VAL N N 15 119.89 0.5 . . . . . . . . . . 4848 1 238 . 1 1 24 24 VAL HA H 1 4.21 0.05 . . . . . . . . . . 4848 1 239 . 1 1 24 24 VAL CA C 13 62.70 0.5 . . . . . . . . . . 4848 1 240 . 1 1 24 24 VAL HB H 1 2.08 0.05 . . . . . . . . . . 4848 1 241 . 1 1 24 24 VAL CB C 13 30.91 0.5 . . . . . . . . . . 4848 1 242 . 1 1 24 24 VAL HG11 H 1 0.90 0.05 . . . . . . . . . . 4848 1 243 . 1 1 24 24 VAL HG12 H 1 0.90 0.05 . . . . . . . . . . 4848 1 244 . 1 1 24 24 VAL HG13 H 1 0.90 0.05 . . . . . . . . . . 4848 1 245 . 1 1 24 24 VAL HG21 H 1 0.90 0.05 . . . . . . . . . . 4848 1 246 . 1 1 24 24 VAL HG22 H 1 0.90 0.05 . . . . . . . . . . 4848 1 247 . 1 1 24 24 VAL HG23 H 1 0.90 0.05 . . . . . . . . . . 4848 1 248 . 1 1 24 24 VAL CG1 C 13 20.58 0.5 . . . . . . . . . . 4848 1 249 . 1 1 24 24 VAL CG2 C 13 20.58 0.5 . . . . . . . . . . 4848 1 250 . 1 1 27 27 ARG H H 1 7.46 0.05 . . . . . . . . . . 4848 1 251 . 1 1 27 27 ARG N N 15 118.00 0.5 . . . . . . . . . . 4848 1 252 . 1 1 27 27 ARG HA H 1 4.15 0.05 . . . . . . . . . . 4848 1 253 . 1 1 27 27 ARG CA C 13 59.17 0.5 . . . . . . . . . . 4848 1 254 . 1 1 27 27 ARG HB2 H 1 2.02 0.05 . . . . . . . . . . 4848 1 255 . 1 1 27 27 ARG HB3 H 1 2.02 0.05 . . . . . . . . . . 4848 1 256 . 1 1 27 27 ARG CB C 13 31.76 0.5 . . . . . . . . . . 4848 1 257 . 1 1 27 27 ARG HG2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 258 . 1 1 27 27 ARG HG3 H 1 1.47 0.05 . . . . . . . . . . 4848 1 259 . 1 1 27 27 ARG CG C 13 27.56 0.5 . . . . . . . . . . 4848 1 260 . 1 1 27 27 ARG HD2 H 1 3.08 0.05 . . . . . . . . . . 4848 1 261 . 1 1 27 27 ARG HD3 H 1 3.08 0.05 . . . . . . . . . . 4848 1 262 . 1 1 27 27 ARG CD C 13 44.67 0.5 . . . . . . . . . . 4848 1 263 . 1 1 27 27 ARG C C 13 176.72 0.5 . . . . . . . . . . 4848 1 264 . 1 1 28 28 ALA H H 1 8.44 0.05 . . . . . . . . . . 4848 1 265 . 1 1 28 28 ALA N N 15 119.06 0.5 . . . . . . . . . . 4848 1 266 . 1 1 28 28 ALA HA H 1 4.94 0.05 . . . . . . . . . . 4848 1 267 . 1 1 28 28 ALA CA C 13 54.72 0.5 . . . . . . . . . . 4848 1 268 . 1 1 28 28 ALA HB1 H 1 1.27 0.05 . . . . . . . . . . 4848 1 269 . 1 1 28 28 ALA HB2 H 1 1.27 0.05 . . . . . . . . . . 4848 1 270 . 1 1 28 28 ALA HB3 H 1 1.27 0.05 . . . . . . . . . . 4848 1 271 . 1 1 28 28 ALA CB C 13 17.73 0.5 . . . . . . . . . . 4848 1 272 . 1 1 28 28 ALA C C 13 178.42 0.5 . . . . . . . . . . 4848 1 273 . 1 1 29 29 LEU H H 1 7.87 0.05 . . . . . . . . . . 4848 1 274 . 1 1 29 29 LEU N N 15 116.12 0.5 . . . . . . . . . . 4848 1 275 . 1 1 29 29 LEU HA H 1 4.27 0.05 . . . . . . . . . . 4848 1 276 . 1 1 29 29 LEU CA C 13 57.56 0.5 . . . . . . . . . . 4848 1 277 . 1 1 29 29 LEU HB2 H 1 1.82 0.05 . . . . . . . . . . 4848 1 278 . 1 1 29 29 LEU HB3 H 1 1.82 0.05 . . . . . . . . . . 4848 1 279 . 1 1 29 29 LEU CB C 13 42.09 0.5 . . . . . . . . . . 4848 1 280 . 1 1 29 29 LEU HG H 1 1.51 0.05 . . . . . . . . . . 4848 1 281 . 1 1 29 29 LEU CG C 13 26.12 0.5 . . . . . . . . . . 4848 1 282 . 1 1 29 29 LEU HD11 H 1 0.59 0.05 . . . . . . . . . . 4848 1 283 . 1 1 29 29 LEU HD12 H 1 0.59 0.05 . . . . . . . . . . 4848 1 284 . 1 1 29 29 LEU HD13 H 1 0.59 0.05 . . . . . . . . . . 4848 1 285 . 1 1 29 29 LEU HD21 H 1 0.63 0.05 . . . . . . . . . . 4848 1 286 . 1 1 29 29 LEU HD22 H 1 0.63 0.05 . . . . . . . . . . 4848 1 287 . 1 1 29 29 LEU HD23 H 1 0.63 0.05 . . . . . . . . . . 4848 1 288 . 1 1 29 29 LEU CD1 C 13 24.20 0.5 . . . . . . . . . . 4848 1 289 . 1 1 29 29 LEU CD2 C 13 24.20 0.5 . . . . . . . . . . 4848 1 290 . 1 1 29 29 LEU C C 13 177.46 0.5 . . . . . . . . . . 4848 1 291 . 1 1 30 30 LEU H H 1 7.08 0.05 . . . . . . . . . . 4848 1 292 . 1 1 30 30 LEU N N 15 116.70 0.5 . . . . . . . . . . 4848 1 293 . 1 1 30 30 LEU HA H 1 3.85 0.05 . . . . . . . . . . 4848 1 294 . 1 1 30 30 LEU CA C 13 57.40 0.5 . . . . . . . . . . 4848 1 295 . 1 1 30 30 LEU HB2 H 1 1.71 0.05 . . . . . . . . . . 4848 1 296 . 1 1 30 30 LEU HB3 H 1 1.71 0.05 . . . . . . . . . . 4848 1 297 . 1 1 30 30 LEU CB C 13 41.06 0.5 . . . . . . . . . . 4848 1 298 . 1 1 30 30 LEU HG H 1 1.26 0.05 . . . . . . . . . . 4848 1 299 . 1 1 30 30 LEU CG C 13 26.06 0.5 . . . . . . . . . . 4848 1 300 . 1 1 30 30 LEU HD11 H 1 0.60 0.05 . . . . . . . . . . 4848 1 301 . 1 1 30 30 LEU HD12 H 1 0.60 0.05 . . . . . . . . . . 4848 1 302 . 1 1 30 30 LEU HD13 H 1 0.60 0.05 . . . . . . . . . . 4848 1 303 . 1 1 30 30 LEU HD21 H 1 0.60 0.05 . . . . . . . . . . 4848 1 304 . 1 1 30 30 LEU HD22 H 1 0.60 0.05 . . . . . . . . . . 4848 1 305 . 1 1 30 30 LEU HD23 H 1 0.60 0.05 . . . . . . . . . . 4848 1 306 . 1 1 30 30 LEU CD1 C 13 21.77 0.5 . . . . . . . . . . 4848 1 307 . 1 1 30 30 LEU C C 13 177.82 0.5 . . . . . . . . . . 4848 1 308 . 1 1 31 31 LEU H H 1 7.86 0.05 . . . . . . . . . . 4848 1 309 . 1 1 31 31 LEU N N 15 116.12 0.5 . . . . . . . . . . 4848 1 310 . 1 1 31 31 LEU HA H 1 3.12 0.05 . . . . . . . . . . 4848 1 311 . 1 1 31 31 LEU CA C 13 57.56 0.5 . . . . . . . . . . 4848 1 312 . 1 1 31 31 LEU HB2 H 1 0.55 0.05 . . . . . . . . . . 4848 1 313 . 1 1 31 31 LEU HB3 H 1 0.28 0.05 . . . . . . . . . . 4848 1 314 . 1 1 31 31 LEU CB C 13 37.93 0.5 . . . . . . . . . . 4848 1 315 . 1 1 31 31 LEU HG H 1 1.10 0.05 . . . . . . . . . . 4848 1 316 . 1 1 31 31 LEU CG C 13 25.33 0.5 . . . . . . . . . . 4848 1 317 . 1 1 31 31 LEU HD11 H 1 0.24 0.05 . . . . . . . . . . 4848 1 318 . 1 1 31 31 LEU HD12 H 1 0.24 0.05 . . . . . . . . . . 4848 1 319 . 1 1 31 31 LEU HD13 H 1 0.24 0.05 . . . . . . . . . . 4848 1 320 . 1 1 31 31 LEU HD21 H 1 0.24 0.05 . . . . . . . . . . 4848 1 321 . 1 1 31 31 LEU HD22 H 1 0.24 0.05 . . . . . . . . . . 4848 1 322 . 1 1 31 31 LEU HD23 H 1 0.24 0.05 . . . . . . . . . . 4848 1 323 . 1 1 31 31 LEU CD1 C 13 24.79 0.5 . . . . . . . . . . 4848 1 324 . 1 1 31 31 LEU CD2 C 13 21.05 0.5 . . . . . . . . . . 4848 1 325 . 1 1 31 31 LEU C C 13 178.25 0.5 . . . . . . . . . . 4848 1 326 . 1 1 32 32 ALA H H 1 7.94 0.05 . . . . . . . . . . 4848 1 327 . 1 1 32 32 ALA N N 15 117.12 0.5 . . . . . . . . . . 4848 1 328 . 1 1 32 32 ALA HA H 1 3.84 0.05 . . . . . . . . . . 4848 1 329 . 1 1 32 32 ALA CA C 13 54.26 0.5 . . . . . . . . . . 4848 1 330 . 1 1 32 32 ALA HB1 H 1 1.43 0.05 . . . . . . . . . . 4848 1 331 . 1 1 32 32 ALA HB2 H 1 1.43 0.05 . . . . . . . . . . 4848 1 332 . 1 1 32 32 ALA HB3 H 1 1.43 0.05 . . . . . . . . . . 4848 1 333 . 1 1 32 32 ALA CB C 13 18.34 0.5 . . . . . . . . . . 4848 1 334 . 1 1 32 32 ALA C C 13 179.61 0.5 . . . . . . . . . . 4848 1 335 . 1 1 33 33 ALA H H 1 7.92 0.05 . . . . . . . . . . 4848 1 336 . 1 1 33 33 ALA N N 15 118.58 0.5 . . . . . . . . . . 4848 1 337 . 1 1 33 33 ALA HA H 1 3.96 0.05 . . . . . . . . . . 4848 1 338 . 1 1 33 33 ALA CA C 13 54.60 0.5 . . . . . . . . . . 4848 1 339 . 1 1 33 33 ALA HB1 H 1 1.52 0.05 . . . . . . . . . . 4848 1 340 . 1 1 33 33 ALA HB2 H 1 1.52 0.05 . . . . . . . . . . 4848 1 341 . 1 1 33 33 ALA HB3 H 1 1.52 0.05 . . . . . . . . . . 4848 1 342 . 1 1 33 33 ALA CB C 13 19.06 0.5 . . . . . . . . . . 4848 1 343 . 1 1 33 33 ALA C C 13 178.42 0.5 . . . . . . . . . . 4848 1 344 . 1 1 34 34 LEU H H 1 7.70 0.05 . . . . . . . . . . 4848 1 345 . 1 1 34 34 LEU N N 15 115.96 0.5 . . . . . . . . . . 4848 1 346 . 1 1 34 34 LEU HA H 1 4.33 0.05 . . . . . . . . . . 4848 1 347 . 1 1 34 34 LEU CA C 13 55.72 0.5 . . . . . . . . . . 4848 1 348 . 1 1 34 34 LEU HB2 H 1 1.75 0.05 . . . . . . . . . . 4848 1 349 . 1 1 34 34 LEU HB3 H 1 1.75 0.05 . . . . . . . . . . 4848 1 350 . 1 1 34 34 LEU CB C 13 42.86 0.5 . . . . . . . . . . 4848 1 351 . 1 1 34 34 LEU HG H 1 1.41 0.05 . . . . . . . . . . 4848 1 352 . 1 1 34 34 LEU CG C 13 24.66 0.5 . . . . . . . . . . 4848 1 353 . 1 1 34 34 LEU HD11 H 1 0.61 0.05 . . . . . . . . . . 4848 1 354 . 1 1 34 34 LEU HD12 H 1 0.61 0.05 . . . . . . . . . . 4848 1 355 . 1 1 34 34 LEU HD13 H 1 0.61 0.05 . . . . . . . . . . 4848 1 356 . 1 1 34 34 LEU HD21 H 1 0.68 0.05 . . . . . . . . . . 4848 1 357 . 1 1 34 34 LEU HD22 H 1 0.68 0.05 . . . . . . . . . . 4848 1 358 . 1 1 34 34 LEU HD23 H 1 0.68 0.05 . . . . . . . . . . 4848 1 359 . 1 1 34 34 LEU CD1 C 13 22.13 0.5 . . . . . . . . . . 4848 1 360 . 1 1 34 34 LEU CD2 C 13 22.13 0.5 . . . . . . . . . . 4848 1 361 . 1 1 34 34 LEU C C 13 178.36 0.5 . . . . . . . . . . 4848 1 362 . 1 1 35 35 ALA H H 1 7.70 0.05 . . . . . . . . . . 4848 1 363 . 1 1 35 35 ALA N N 15 120.32 0.5 . . . . . . . . . . 4848 1 364 . 1 1 35 35 ALA HA H 1 4.30 0.05 . . . . . . . . . . 4848 1 365 . 1 1 35 35 ALA CA C 13 51.85 0.5 . . . . . . . . . . 4848 1 366 . 1 1 35 35 ALA HB1 H 1 1.47 0.05 . . . . . . . . . . 4848 1 367 . 1 1 35 35 ALA HB2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 368 . 1 1 35 35 ALA HB3 H 1 1.47 0.05 . . . . . . . . . . 4848 1 369 . 1 1 35 35 ALA CB C 13 19.19 0.5 . . . . . . . . . . 4848 1 370 . 1 1 35 35 ALA C C 13 177.50 0.5 . . . . . . . . . . 4848 1 371 . 1 1 36 36 HIS H H 1 8.01 0.05 . . . . . . . . . . 4848 1 372 . 1 1 36 36 HIS N N 15 116.01 0.5 . . . . . . . . . . 4848 1 373 . 1 1 36 36 HIS HA H 1 4.42 0.05 . . . . . . . . . . 4848 1 374 . 1 1 36 36 HIS CA C 13 56.70 0.5 . . . . . . . . . . 4848 1 375 . 1 1 36 36 HIS HB2 H 1 3.03 0.05 . . . . . . . . . . 4848 1 376 . 1 1 36 36 HIS HB3 H 1 3.14 0.05 . . . . . . . . . . 4848 1 377 . 1 1 36 36 HIS CB C 13 31.63 0.5 . . . . . . . . . . 4848 1 378 . 1 1 36 36 HIS C C 13 176.35 0.5 . . . . . . . . . . 4848 1 379 . 1 1 37 37 GLY H H 1 8.98 0.05 . . . . . . . . . . 4848 1 380 . 1 1 37 37 GLY N N 15 111.52 0.5 . . . . . . . . . . 4848 1 381 . 1 1 37 37 GLY HA2 H 1 4.53 0.05 . . . . . . . . . . 4848 1 382 . 1 1 37 37 GLY HA3 H 1 3.77 0.05 . . . . . . . . . . 4848 1 383 . 1 1 37 37 GLY CA C 13 43.41 0.5 . . . . . . . . . . 4848 1 384 . 1 1 37 37 GLY C C 13 173.43 0.5 . . . . . . . . . . 4848 1 385 . 1 1 38 38 LYS H H 1 8.56 0.05 . . . . . . . . . . 4848 1 386 . 1 1 38 38 LYS N N 15 122.53 0.5 . . . . . . . . . . 4848 1 387 . 1 1 38 38 LYS HA H 1 5.35 0.05 . . . . . . . . . . 4848 1 388 . 1 1 38 38 LYS CA C 13 54.92 0.5 . . . . . . . . . . 4848 1 389 . 1 1 38 38 LYS HB2 H 1 1.33 0.05 . . . . . . . . . . 4848 1 390 . 1 1 38 38 LYS HB3 H 1 1.33 0.05 . . . . . . . . . . 4848 1 391 . 1 1 38 38 LYS CB C 13 32.99 0.5 . . . . . . . . . . 4848 1 392 . 1 1 38 38 LYS HG2 H 1 1.04 0.05 . . . . . . . . . . 4848 1 393 . 1 1 38 38 LYS HG3 H 1 1.09 0.05 . . . . . . . . . . 4848 1 394 . 1 1 38 38 LYS CG C 13 24.20 0.5 . . . . . . . . . . 4848 1 395 . 1 1 38 38 LYS HD2 H 1 1.61 0.05 . . . . . . . . . . 4848 1 396 . 1 1 38 38 LYS HD3 H 1 1.61 0.05 . . . . . . . . . . 4848 1 397 . 1 1 38 38 LYS CD C 13 28.70 0.5 . . . . . . . . . . 4848 1 398 . 1 1 38 38 LYS HE2 H 1 2.81 0.05 . . . . . . . . . . 4848 1 399 . 1 1 38 38 LYS HE3 H 1 2.81 0.05 . . . . . . . . . . 4848 1 400 . 1 1 38 38 LYS CE C 13 41.67 0.5 . . . . . . . . . . 4848 1 401 . 1 1 38 38 LYS C C 13 176.71 0.5 . . . . . . . . . . 4848 1 402 . 1 1 39 39 THR H H 1 9.09 0.05 . . . . . . . . . . 4848 1 403 . 1 1 39 39 THR N N 15 124.66 0.5 . . . . . . . . . . 4848 1 404 . 1 1 39 39 THR HA H 1 4.85 0.05 . . . . . . . . . . 4848 1 405 . 1 1 39 39 THR CA C 13 61.85 0.5 . . . . . . . . . . 4848 1 406 . 1 1 39 39 THR HB H 1 3.89 0.05 . . . . . . . . . . 4848 1 407 . 1 1 39 39 THR CB C 13 69.93 0.5 . . . . . . . . . . 4848 1 408 . 1 1 39 39 THR HG21 H 1 1.13 0.05 . . . . . . . . . . 4848 1 409 . 1 1 39 39 THR HG22 H 1 1.13 0.05 . . . . . . . . . . 4848 1 410 . 1 1 39 39 THR HG23 H 1 1.13 0.05 . . . . . . . . . . 4848 1 411 . 1 1 39 39 THR CG2 C 13 22.16 0.5 . . . . . . . . . . 4848 1 412 . 1 1 39 39 THR C C 13 173.06 0.5 . . . . . . . . . . 4848 1 413 . 1 1 40 40 VAL H H 1 8.57 0.05 . . . . . . . . . . 4848 1 414 . 1 1 40 40 VAL N N 15 126.73 0.5 . . . . . . . . . . 4848 1 415 . 1 1 40 40 VAL HA H 1 4.59 0.05 . . . . . . . . . . 4848 1 416 . 1 1 40 40 VAL CA C 13 61.60 0.5 . . . . . . . . . . 4848 1 417 . 1 1 40 40 VAL HB H 1 2.12 0.05 . . . . . . . . . . 4848 1 418 . 1 1 40 40 VAL CB C 13 31.92 0.5 . . . . . . . . . . 4848 1 419 . 1 1 40 40 VAL HG11 H 1 0.77 0.05 . . . . . . . . . . 4848 1 420 . 1 1 40 40 VAL HG12 H 1 0.77 0.05 . . . . . . . . . . 4848 1 421 . 1 1 40 40 VAL HG13 H 1 0.77 0.05 . . . . . . . . . . 4848 1 422 . 1 1 40 40 VAL HG21 H 1 0.77 0.05 . . . . . . . . . . 4848 1 423 . 1 1 40 40 VAL HG22 H 1 0.77 0.05 . . . . . . . . . . 4848 1 424 . 1 1 40 40 VAL HG23 H 1 0.77 0.05 . . . . . . . . . . 4848 1 425 . 1 1 40 40 VAL CG1 C 13 20.38 0.5 . . . . . . . . . . 4848 1 426 . 1 1 40 40 VAL CG2 C 13 20.38 0.5 . . . . . . . . . . 4848 1 427 . 1 1 40 40 VAL C C 13 174.64 0.5 . . . . . . . . . . 4848 1 428 . 1 1 41 41 LEU H H 1 9.31 0.05 . . . . . . . . . . 4848 1 429 . 1 1 41 41 LEU N N 15 128.27 0.5 . . . . . . . . . . 4848 1 430 . 1 1 41 41 LEU HA H 1 5.54 0.05 . . . . . . . . . . 4848 1 431 . 1 1 41 41 LEU CA C 13 53.35 0.5 . . . . . . . . . . 4848 1 432 . 1 1 41 41 LEU HB2 H 1 1.37 0.05 . . . . . . . . . . 4848 1 433 . 1 1 41 41 LEU HB3 H 1 1.86 0.05 . . . . . . . . . . 4848 1 434 . 1 1 41 41 LEU CB C 13 42.89 0.5 . . . . . . . . . . 4848 1 435 . 1 1 41 41 LEU HG H 1 1.54 0.05 . . . . . . . . . . 4848 1 436 . 1 1 41 41 LEU CG C 13 28.15 0.5 . . . . . . . . . . 4848 1 437 . 1 1 41 41 LEU HD11 H 1 0.82 0.05 . . . . . . . . . . 4848 1 438 . 1 1 41 41 LEU HD12 H 1 0.82 0.05 . . . . . . . . . . 4848 1 439 . 1 1 41 41 LEU HD13 H 1 0.82 0.05 . . . . . . . . . . 4848 1 440 . 1 1 41 41 LEU HD21 H 1 0.98 0.05 . . . . . . . . . . 4848 1 441 . 1 1 41 41 LEU HD22 H 1 0.98 0.05 . . . . . . . . . . 4848 1 442 . 1 1 41 41 LEU HD23 H 1 0.98 0.05 . . . . . . . . . . 4848 1 443 . 1 1 41 41 LEU CD1 C 13 25.64 0.5 . . . . . . . . . . 4848 1 444 . 1 1 41 41 LEU CD2 C 13 26.23 0.5 . . . . . . . . . . 4848 1 445 . 1 1 41 41 LEU C C 13 176.08 0.5 . . . . . . . . . . 4848 1 446 . 1 1 42 42 THR H H 1 8.59 0.05 . . . . . . . . . . 4848 1 447 . 1 1 42 42 THR N N 15 112.58 0.5 . . . . . . . . . . 4848 1 448 . 1 1 42 42 THR HA H 1 5.09 0.05 . . . . . . . . . . 4848 1 449 . 1 1 42 42 THR CA C 13 59.68 0.5 . . . . . . . . . . 4848 1 450 . 1 1 42 42 THR HB H 1 4.17 0.05 . . . . . . . . . . 4848 1 451 . 1 1 42 42 THR CB C 13 70.44 0.5 . . . . . . . . . . 4848 1 452 . 1 1 42 42 THR HG21 H 1 1.03 0.05 . . . . . . . . . . 4848 1 453 . 1 1 42 42 THR HG22 H 1 1.03 0.05 . . . . . . . . . . 4848 1 454 . 1 1 42 42 THR HG23 H 1 1.03 0.05 . . . . . . . . . . 4848 1 455 . 1 1 42 42 THR CG2 C 13 21.86 0.5 . . . . . . . . . . 4848 1 456 . 1 1 42 42 THR C C 13 173.21 0.5 . . . . . . . . . . 4848 1 457 . 1 1 43 43 ASN H H 1 8.60 0.05 . . . . . . . . . . 4848 1 458 . 1 1 43 43 ASN N N 15 118.22 0.5 . . . . . . . . . . 4848 1 459 . 1 1 43 43 ASN HA H 1 4.12 0.05 . . . . . . . . . . 4848 1 460 . 1 1 43 43 ASN CA C 13 54.00 0.5 . . . . . . . . . . 4848 1 461 . 1 1 43 43 ASN HB2 H 1 2.46 0.05 . . . . . . . . . . 4848 1 462 . 1 1 43 43 ASN HB3 H 1 3.71 0.05 . . . . . . . . . . 4848 1 463 . 1 1 43 43 ASN CB C 13 38.24 0.5 . . . . . . . . . . 4848 1 464 . 1 1 43 43 ASN C C 13 175.54 0.5 . . . . . . . . . . 4848 1 465 . 1 1 44 44 LEU H H 1 8.80 0.05 . . . . . . . . . . 4848 1 466 . 1 1 44 44 LEU N N 15 118.21 0.5 . . . . . . . . . . 4848 1 467 . 1 1 44 44 LEU HA H 1 3.87 0.05 . . . . . . . . . . 4848 1 468 . 1 1 44 44 LEU CA C 13 55.06 0.5 . . . . . . . . . . 4848 1 469 . 1 1 44 44 LEU HB2 H 1 1.16 0.05 . . . . . . . . . . 4848 1 470 . 1 1 44 44 LEU HB3 H 1 1.16 0.05 . . . . . . . . . . 4848 1 471 . 1 1 44 44 LEU CB C 13 42.64 0.5 . . . . . . . . . . 4848 1 472 . 1 1 44 44 LEU HG H 1 1.43 0.05 . . . . . . . . . . 4848 1 473 . 1 1 44 44 LEU HD11 H 1 0.75 0.05 . . . . . . . . . . 4848 1 474 . 1 1 44 44 LEU HD12 H 1 0.75 0.05 . . . . . . . . . . 4848 1 475 . 1 1 44 44 LEU HD13 H 1 0.75 0.05 . . . . . . . . . . 4848 1 476 . 1 1 44 44 LEU HD21 H 1 0.79 0.05 . . . . . . . . . . 4848 1 477 . 1 1 44 44 LEU HD22 H 1 0.79 0.05 . . . . . . . . . . 4848 1 478 . 1 1 44 44 LEU HD23 H 1 0.79 0.05 . . . . . . . . . . 4848 1 479 . 1 1 44 44 LEU CD1 C 13 24.71 0.5 . . . . . . . . . . 4848 1 480 . 1 1 44 44 LEU CD2 C 13 25.16 0.5 . . . . . . . . . . 4848 1 481 . 1 1 44 44 LEU C C 13 172.90 0.5 . . . . . . . . . . 4848 1 482 . 1 1 45 45 LEU H H 1 7.22 0.05 . . . . . . . . . . 4848 1 483 . 1 1 45 45 LEU N N 15 122.97 0.5 . . . . . . . . . . 4848 1 484 . 1 1 45 45 LEU HA H 1 4.86 0.05 . . . . . . . . . . 4848 1 485 . 1 1 45 45 LEU CA C 13 54.22 0.5 . . . . . . . . . . 4848 1 486 . 1 1 45 45 LEU HB2 H 1 1.59 0.05 . . . . . . . . . . 4848 1 487 . 1 1 45 45 LEU HB3 H 1 1.59 0.05 . . . . . . . . . . 4848 1 488 . 1 1 45 45 LEU CB C 13 42.49 0.5 . . . . . . . . . . 4848 1 489 . 1 1 45 45 LEU HG H 1 1.49 0.05 . . . . . . . . . . 4848 1 490 . 1 1 45 45 LEU CG C 13 26.66 0.5 . . . . . . . . . . 4848 1 491 . 1 1 45 45 LEU HD11 H 1 0.88 0.05 . . . . . . . . . . 4848 1 492 . 1 1 45 45 LEU HD12 H 1 0.88 0.05 . . . . . . . . . . 4848 1 493 . 1 1 45 45 LEU HD13 H 1 0.88 0.05 . . . . . . . . . . 4848 1 494 . 1 1 45 45 LEU HD21 H 1 0.85 0.05 . . . . . . . . . . 4848 1 495 . 1 1 45 45 LEU HD22 H 1 0.85 0.05 . . . . . . . . . . 4848 1 496 . 1 1 45 45 LEU HD23 H 1 0.85 0.05 . . . . . . . . . . 4848 1 497 . 1 1 45 45 LEU CD1 C 13 24.84 0.5 . . . . . . . . . . 4848 1 498 . 1 1 45 45 LEU CD2 C 13 22.99 0.5 . . . . . . . . . . 4848 1 499 . 1 1 45 45 LEU C C 13 176.29 0.5 . . . . . . . . . . 4848 1 500 . 1 1 46 46 ASP H H 1 8.28 0.05 . . . . . . . . . . 4848 1 501 . 1 1 46 46 ASP N N 15 123.25 0.5 . . . . . . . . . . 4848 1 502 . 1 1 46 46 ASP HA H 1 4.90 0.05 . . . . . . . . . . 4848 1 503 . 1 1 46 46 ASP CA C 13 52.92 0.5 . . . . . . . . . . 4848 1 504 . 1 1 46 46 ASP HB2 H 1 2.45 0.05 . . . . . . . . . . 4848 1 505 . 1 1 46 46 ASP HB3 H 1 2.69 0.05 . . . . . . . . . . 4848 1 506 . 1 1 46 46 ASP CB C 13 39.92 0.5 . . . . . . . . . . 4848 1 507 . 1 1 46 46 ASP C C 13 175.19 0.5 . . . . . . . . . . 4848 1 508 . 1 1 47 47 SER H H 1 7.19 0.05 . . . . . . . . . . 4848 1 509 . 1 1 47 47 SER N N 15 116.49 0.5 . . . . . . . . . . 4848 1 510 . 1 1 47 47 SER HA H 1 4.35 0.05 . . . . . . . . . . 4848 1 511 . 1 1 47 47 SER CA C 13 55.58 0.5 . . . . . . . . . . 4848 1 512 . 1 1 47 47 SER HB2 H 1 3.90 0.05 . . . . . . . . . . 4848 1 513 . 1 1 47 47 SER HB3 H 1 3.90 0.05 . . . . . . . . . . 4848 1 514 . 1 1 47 47 SER CB C 13 65.74 0.5 . . . . . . . . . . 4848 1 515 . 1 1 47 47 SER C C 13 174.68 0.5 . . . . . . . . . . 4848 1 516 . 1 1 48 48 ASP H H 1 8.47 0.05 . . . . . . . . . . 4848 1 517 . 1 1 48 48 ASP N N 15 122.78 0.5 . . . . . . . . . . 4848 1 518 . 1 1 48 48 ASP HA H 1 4.76 0.05 . . . . . . . . . . 4848 1 519 . 1 1 48 48 ASP CA C 13 52.78 0.5 . . . . . . . . . . 4848 1 520 . 1 1 48 48 ASP HB2 H 1 2.65 0.05 . . . . . . . . . . 4848 1 521 . 1 1 48 48 ASP HB3 H 1 2.78 0.05 . . . . . . . . . . 4848 1 522 . 1 1 48 48 ASP CB C 13 46.30 0.5 . . . . . . . . . . 4848 1 523 . 1 1 49 49 ASP H H 1 7.97 0.05 . . . . . . . . . . 4848 1 524 . 1 1 49 49 ASP N N 15 119.81 0.5 . . . . . . . . . . 4848 1 525 . 1 1 49 49 ASP HA H 1 4.33 0.05 . . . . . . . . . . 4848 1 526 . 1 1 49 49 ASP CA C 13 57.75 0.5 . . . . . . . . . . 4848 1 527 . 1 1 49 49 ASP HB2 H 1 2.44 0.05 . . . . . . . . . . 4848 1 528 . 1 1 49 49 ASP HB3 H 1 2.62 0.05 . . . . . . . . . . 4848 1 529 . 1 1 49 49 ASP CB C 13 40.20 0.5 . . . . . . . . . . 4848 1 530 . 1 1 49 49 ASP C C 13 178.17 0.5 . . . . . . . . . . 4848 1 531 . 1 1 50 50 VAL H H 1 7.19 0.05 . . . . . . . . . . 4848 1 532 . 1 1 50 50 VAL N N 15 120.84 0.5 . . . . . . . . . . 4848 1 533 . 1 1 50 50 VAL HA H 1 4.18 0.05 . . . . . . . . . . 4848 1 534 . 1 1 50 50 VAL CA C 13 64.48 0.5 . . . . . . . . . . 4848 1 535 . 1 1 50 50 VAL HB H 1 2.06 0.05 . . . . . . . . . . 4848 1 536 . 1 1 50 50 VAL CB C 13 32.42 0.5 . . . . . . . . . . 4848 1 537 . 1 1 50 50 VAL HG11 H 1 0.93 0.05 . . . . . . . . . . 4848 1 538 . 1 1 50 50 VAL HG12 H 1 0.93 0.05 . . . . . . . . . . 4848 1 539 . 1 1 50 50 VAL HG13 H 1 0.93 0.05 . . . . . . . . . . 4848 1 540 . 1 1 50 50 VAL HG21 H 1 0.93 0.05 . . . . . . . . . . 4848 1 541 . 1 1 50 50 VAL HG22 H 1 0.93 0.05 . . . . . . . . . . 4848 1 542 . 1 1 50 50 VAL HG23 H 1 0.93 0.05 . . . . . . . . . . 4848 1 543 . 1 1 50 50 VAL CG1 C 13 20.65 0.5 . . . . . . . . . . 4848 1 544 . 1 1 50 50 VAL CG2 C 13 22.24 0.5 . . . . . . . . . . 4848 1 545 . 1 1 50 50 VAL C C 13 178.11 0.5 . . . . . . . . . . 4848 1 546 . 1 1 51 51 ARG H H 1 8.20 0.05 . . . . . . . . . . 4848 1 547 . 1 1 51 51 ARG N N 15 119.98 0.5 . . . . . . . . . . 4848 1 548 . 1 1 51 51 ARG HA H 1 3.78 0.05 . . . . . . . . . . 4848 1 549 . 1 1 51 51 ARG CA C 13 60.15 0.5 . . . . . . . . . . 4848 1 550 . 1 1 51 51 ARG HB2 H 1 1.66 0.05 . . . . . . . . . . 4848 1 551 . 1 1 51 51 ARG HB3 H 1 1.66 0.05 . . . . . . . . . . 4848 1 552 . 1 1 51 51 ARG CB C 13 29.83 0.5 . . . . . . . . . . 4848 1 553 . 1 1 51 51 ARG HG2 H 1 1.34 0.05 . . . . . . . . . . 4848 1 554 . 1 1 51 51 ARG HG3 H 1 1.34 0.05 . . . . . . . . . . 4848 1 555 . 1 1 51 51 ARG CG C 13 27.83 0.5 . . . . . . . . . . 4848 1 556 . 1 1 51 51 ARG HD2 H 1 3.15 0.05 . . . . . . . . . . 4848 1 557 . 1 1 51 51 ARG HD3 H 1 3.10 0.05 . . . . . . . . . . 4848 1 558 . 1 1 51 51 ARG CD C 13 43.36 0.5 . . . . . . . . . . 4848 1 559 . 1 1 51 51 ARG C C 13 179.70 0.5 . . . . . . . . . . 4848 1 560 . 1 1 52 52 HIS H H 1 8.06 0.05 . . . . . . . . . . 4848 1 561 . 1 1 52 52 HIS N N 15 115.60 0.5 . . . . . . . . . . 4848 1 562 . 1 1 52 52 HIS HA H 1 4.57 0.05 . . . . . . . . . . 4848 1 563 . 1 1 52 52 HIS CA C 13 60.36 0.5 . . . . . . . . . . 4848 1 564 . 1 1 52 52 HIS HB2 H 1 2.84 0.05 . . . . . . . . . . 4848 1 565 . 1 1 52 52 HIS HB3 H 1 2.89 0.05 . . . . . . . . . . 4848 1 566 . 1 1 52 52 HIS CB C 13 30.50 0.5 . . . . . . . . . . 4848 1 567 . 1 1 52 52 HIS C C 13 178.74 0.5 . . . . . . . . . . 4848 1 568 . 1 1 54 54 LEU H H 1 8.73 0.05 . . . . . . . . . . 4848 1 569 . 1 1 54 54 LEU N N 15 119.82 0.5 . . . . . . . . . . 4848 1 570 . 1 1 54 54 LEU HA H 1 3.69 0.05 . . . . . . . . . . 4848 1 571 . 1 1 54 54 LEU CA C 13 58.08 0.5 . . . . . . . . . . 4848 1 572 . 1 1 54 54 LEU HB2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 573 . 1 1 54 54 LEU HB3 H 1 1.83 0.05 . . . . . . . . . . 4848 1 574 . 1 1 54 54 LEU CB C 13 40.12 0.5 . . . . . . . . . . 4848 1 575 . 1 1 54 54 LEU HG H 1 0.69 0.05 . . . . . . . . . . 4848 1 576 . 1 1 54 54 LEU CG C 13 26.56 0.5 . . . . . . . . . . 4848 1 577 . 1 1 54 54 LEU HD11 H 1 0.11 0.05 . . . . . . . . . . 4848 1 578 . 1 1 54 54 LEU HD12 H 1 0.11 0.05 . . . . . . . . . . 4848 1 579 . 1 1 54 54 LEU HD13 H 1 0.11 0.05 . . . . . . . . . . 4848 1 580 . 1 1 54 54 LEU HD21 H 1 0.64 0.05 . . . . . . . . . . 4848 1 581 . 1 1 54 54 LEU HD22 H 1 0.64 0.05 . . . . . . . . . . 4848 1 582 . 1 1 54 54 LEU HD23 H 1 0.64 0.05 . . . . . . . . . . 4848 1 583 . 1 1 54 54 LEU CD1 C 13 22.18 0.5 . . . . . . . . . . 4848 1 584 . 1 1 54 54 LEU CD2 C 13 24.79 0.5 . . . . . . . . . . 4848 1 585 . 1 1 54 54 LEU C C 13 180.23 0.5 . . . . . . . . . . 4848 1 586 . 1 1 55 55 ASN H H 1 8.38 0.05 . . . . . . . . . . 4848 1 587 . 1 1 55 55 ASN N N 15 118.55 0.5 . . . . . . . . . . 4848 1 588 . 1 1 55 55 ASN HA H 1 4.53 0.05 . . . . . . . . . . 4848 1 589 . 1 1 55 55 ASN CA C 13 55.68 0.5 . . . . . . . . . . 4848 1 590 . 1 1 55 55 ASN HB2 H 1 2.91 0.05 . . . . . . . . . . 4848 1 591 . 1 1 55 55 ASN HB3 H 1 3.12 0.05 . . . . . . . . . . 4848 1 592 . 1 1 55 55 ASN CB C 13 37.36 0.5 . . . . . . . . . . 4848 1 593 . 1 1 55 55 ASN C C 13 178.56 0.5 . . . . . . . . . . 4848 1 594 . 1 1 56 56 ALA H H 1 8.08 0.05 . . . . . . . . . . 4848 1 595 . 1 1 56 56 ALA N N 15 125.19 0.5 . . . . . . . . . . 4848 1 596 . 1 1 56 56 ALA HA H 1 4.13 0.05 . . . . . . . . . . 4848 1 597 . 1 1 56 56 ALA CA C 13 54.90 0.5 . . . . . . . . . . 4848 1 598 . 1 1 56 56 ALA HB1 H 1 1.47 0.05 . . . . . . . . . . 4848 1 599 . 1 1 56 56 ALA HB2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 600 . 1 1 56 56 ALA HB3 H 1 1.47 0.05 . . . . . . . . . . 4848 1 601 . 1 1 56 56 ALA CB C 13 17.39 0.5 . . . . . . . . . . 4848 1 602 . 1 1 56 56 ALA C C 13 178.75 0.5 . . . . . . . . . . 4848 1 603 . 1 1 57 57 LEU H H 1 8.44 0.05 . . . . . . . . . . 4848 1 604 . 1 1 57 57 LEU N N 15 116.45 0.5 . . . . . . . . . . 4848 1 605 . 1 1 57 57 LEU HA H 1 3.95 0.05 . . . . . . . . . . 4848 1 606 . 1 1 57 57 LEU CA C 13 58.13 0.5 . . . . . . . . . . 4848 1 607 . 1 1 57 57 LEU HB2 H 1 1.27 0.05 . . . . . . . . . . 4848 1 608 . 1 1 57 57 LEU HB3 H 1 1.84 0.05 . . . . . . . . . . 4848 1 609 . 1 1 57 57 LEU CB C 13 39.25 0.5 . . . . . . . . . . 4848 1 610 . 1 1 57 57 LEU HG H 1 1.96 0.05 . . . . . . . . . . 4848 1 611 . 1 1 57 57 LEU CG C 13 25.95 0.5 . . . . . . . . . . 4848 1 612 . 1 1 57 57 LEU HD11 H 1 0.60 0.05 . . . . . . . . . . 4848 1 613 . 1 1 57 57 LEU HD12 H 1 0.60 0.05 . . . . . . . . . . 4848 1 614 . 1 1 57 57 LEU HD13 H 1 0.60 0.05 . . . . . . . . . . 4848 1 615 . 1 1 57 57 LEU HD21 H 1 0.60 0.05 . . . . . . . . . . 4848 1 616 . 1 1 57 57 LEU HD22 H 1 0.60 0.05 . . . . . . . . . . 4848 1 617 . 1 1 57 57 LEU HD23 H 1 0.60 0.05 . . . . . . . . . . 4848 1 618 . 1 1 57 57 LEU CD1 C 13 21.12 0.5 . . . . . . . . . . 4848 1 619 . 1 1 57 57 LEU CD2 C 13 24.79 0.5 . . . . . . . . . . 4848 1 620 . 1 1 57 57 LEU C C 13 179.59 0.5 . . . . . . . . . . 4848 1 621 . 1 1 58 58 THR H H 1 8.51 0.05 . . . . . . . . . . 4848 1 622 . 1 1 58 58 THR N N 15 116.75 0.5 . . . . . . . . . . 4848 1 623 . 1 1 58 58 THR HA H 1 4.22 0.05 . . . . . . . . . . 4848 1 624 . 1 1 58 58 THR CA C 13 66.67 0.5 . . . . . . . . . . 4848 1 625 . 1 1 58 58 THR HB H 1 4.43 0.05 . . . . . . . . . . 4848 1 626 . 1 1 58 58 THR CB C 13 68.67 0.5 . . . . . . . . . . 4848 1 627 . 1 1 58 58 THR HG21 H 1 1.28 0.05 . . . . . . . . . . 4848 1 628 . 1 1 58 58 THR HG22 H 1 1.28 0.05 . . . . . . . . . . 4848 1 629 . 1 1 58 58 THR HG23 H 1 1.28 0.05 . . . . . . . . . . 4848 1 630 . 1 1 58 58 THR CG2 C 13 21.54 0.5 . . . . . . . . . . 4848 1 631 . 1 1 58 58 THR C C 13 178.34 0.5 . . . . . . . . . . 4848 1 632 . 1 1 59 59 ALA H H 1 7.86 0.05 . . . . . . . . . . 4848 1 633 . 1 1 59 59 ALA N N 15 125.82 0.5 . . . . . . . . . . 4848 1 634 . 1 1 59 59 ALA HA H 1 4.14 0.05 . . . . . . . . . . 4848 1 635 . 1 1 59 59 ALA CA C 13 54.65 0.5 . . . . . . . . . . 4848 1 636 . 1 1 59 59 ALA HB1 H 1 1.59 0.05 . . . . . . . . . . 4848 1 637 . 1 1 59 59 ALA HB2 H 1 1.59 0.05 . . . . . . . . . . 4848 1 638 . 1 1 59 59 ALA HB3 H 1 1.59 0.05 . . . . . . . . . . 4848 1 639 . 1 1 59 59 ALA CB C 13 17.92 0.5 . . . . . . . . . . 4848 1 640 . 1 1 59 59 ALA C C 13 178.71 0.5 . . . . . . . . . . 4848 1 641 . 1 1 60 60 LEU H H 1 7.80 0.05 . . . . . . . . . . 4848 1 642 . 1 1 60 60 LEU N N 15 116.56 0.5 . . . . . . . . . . 4848 1 643 . 1 1 60 60 LEU HA H 1 4.21 0.05 . . . . . . . . . . 4848 1 644 . 1 1 60 60 LEU CA C 13 54.18 0.5 . . . . . . . . . . 4848 1 645 . 1 1 60 60 LEU HB2 H 1 1.79 0.05 . . . . . . . . . . 4848 1 646 . 1 1 60 60 LEU HB3 H 1 1.79 0.05 . . . . . . . . . . 4848 1 647 . 1 1 60 60 LEU CB C 13 41.55 0.5 . . . . . . . . . . 4848 1 648 . 1 1 60 60 LEU HG H 1 1.43 0.05 . . . . . . . . . . 4848 1 649 . 1 1 60 60 LEU CG C 13 27.03 0.5 . . . . . . . . . . 4848 1 650 . 1 1 60 60 LEU HD11 H 1 0.71 0.05 . . . . . . . . . . 4848 1 651 . 1 1 60 60 LEU HD12 H 1 0.71 0.05 . . . . . . . . . . 4848 1 652 . 1 1 60 60 LEU HD13 H 1 0.71 0.05 . . . . . . . . . . 4848 1 653 . 1 1 60 60 LEU HD21 H 1 0.89 0.05 . . . . . . . . . . 4848 1 654 . 1 1 60 60 LEU HD22 H 1 0.89 0.05 . . . . . . . . . . 4848 1 655 . 1 1 60 60 LEU HD23 H 1 0.89 0.05 . . . . . . . . . . 4848 1 656 . 1 1 60 60 LEU CD1 C 13 25.60 0.5 . . . . . . . . . . 4848 1 657 . 1 1 60 60 LEU CD2 C 13 22.69 0.5 . . . . . . . . . . 4848 1 658 . 1 1 60 60 LEU C C 13 175.54 0.5 . . . . . . . . . . 4848 1 659 . 1 1 61 61 GLY H H 1 7.84 0.05 . . . . . . . . . . 4848 1 660 . 1 1 61 61 GLY N N 15 106.17 0.5 . . . . . . . . . . 4848 1 661 . 1 1 61 61 GLY HA2 H 1 3.77 0.05 . . . . . . . . . . 4848 1 662 . 1 1 61 61 GLY HA3 H 1 4.13 0.05 . . . . . . . . . . 4848 1 663 . 1 1 61 61 GLY CA C 13 46.01 0.5 . . . . . . . . . . 4848 1 664 . 1 1 61 61 GLY C C 13 175.05 0.5 . . . . . . . . . . 4848 1 665 . 1 1 62 62 VAL H H 1 8.20 0.05 . . . . . . . . . . 4848 1 666 . 1 1 62 62 VAL N N 15 123.12 0.5 . . . . . . . . . . 4848 1 667 . 1 1 62 62 VAL HA H 1 4.16 0.05 . . . . . . . . . . 4848 1 668 . 1 1 62 62 VAL CA C 13 61.72 0.5 . . . . . . . . . . 4848 1 669 . 1 1 62 62 VAL HB H 1 1.95 0.05 . . . . . . . . . . 4848 1 670 . 1 1 62 62 VAL CB C 13 31.41 0.5 . . . . . . . . . . 4848 1 671 . 1 1 62 62 VAL HG11 H 1 1.03 0.05 . . . . . . . . . . 4848 1 672 . 1 1 62 62 VAL HG12 H 1 1.03 0.05 . . . . . . . . . . 4848 1 673 . 1 1 62 62 VAL HG13 H 1 1.03 0.05 . . . . . . . . . . 4848 1 674 . 1 1 62 62 VAL HG21 H 1 0.94 0.05 . . . . . . . . . . 4848 1 675 . 1 1 62 62 VAL HG22 H 1 0.94 0.05 . . . . . . . . . . 4848 1 676 . 1 1 62 62 VAL HG23 H 1 0.94 0.05 . . . . . . . . . . 4848 1 677 . 1 1 62 62 VAL CG1 C 13 20.60 0.5 . . . . . . . . . . 4848 1 678 . 1 1 62 62 VAL CG2 C 13 21.82 0.5 . . . . . . . . . . 4848 1 679 . 1 1 62 62 VAL C C 13 175.53 0.5 . . . . . . . . . . 4848 1 680 . 1 1 63 63 SER H H 1 9.33 0.05 . . . . . . . . . . 4848 1 681 . 1 1 63 63 SER N N 15 124.61 0.5 . . . . . . . . . . 4848 1 682 . 1 1 63 63 SER HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 683 . 1 1 63 63 SER CA C 13 58.19 0.5 . . . . . . . . . . 4848 1 684 . 1 1 63 63 SER HB2 H 1 3.85 0.05 . . . . . . . . . . 4848 1 685 . 1 1 63 63 SER HB3 H 1 3.85 0.05 . . . . . . . . . . 4848 1 686 . 1 1 63 63 SER CB C 13 63.56 0.5 . . . . . . . . . . 4848 1 687 . 1 1 63 63 SER C C 13 172.48 0.5 . . . . . . . . . . 4848 1 688 . 1 1 64 64 TYR H H 1 7.45 0.05 . . . . . . . . . . 4848 1 689 . 1 1 64 64 TYR N N 15 118.79 0.5 . . . . . . . . . . 4848 1 690 . 1 1 64 64 TYR HA H 1 5.57 0.05 . . . . . . . . . . 4848 1 691 . 1 1 64 64 TYR CA C 13 55.87 0.5 . . . . . . . . . . 4848 1 692 . 1 1 64 64 TYR HB2 H 1 2.85 0.05 . . . . . . . . . . 4848 1 693 . 1 1 64 64 TYR HB3 H 1 2.85 0.05 . . . . . . . . . . 4848 1 694 . 1 1 64 64 TYR CB C 13 41.26 0.5 . . . . . . . . . . 4848 1 695 . 1 1 64 64 TYR C C 13 174.31 0.5 . . . . . . . . . . 4848 1 696 . 1 1 65 65 THR H H 1 8.90 0.05 . . . . . . . . . . 4848 1 697 . 1 1 65 65 THR N N 15 113.90 0.5 . . . . . . . . . . 4848 1 698 . 1 1 65 65 THR HA H 1 4.55 0.05 . . . . . . . . . . 4848 1 699 . 1 1 65 65 THR CA C 13 60.81 0.5 . . . . . . . . . . 4848 1 700 . 1 1 65 65 THR HB H 1 4.05 0.05 . . . . . . . . . . 4848 1 701 . 1 1 65 65 THR CB C 13 71.18 0.5 . . . . . . . . . . 4848 1 702 . 1 1 65 65 THR HG21 H 1 1.16 0.05 . . . . . . . . . . 4848 1 703 . 1 1 65 65 THR HG22 H 1 1.16 0.05 . . . . . . . . . . 4848 1 704 . 1 1 65 65 THR HG23 H 1 1.16 0.05 . . . . . . . . . . 4848 1 705 . 1 1 65 65 THR CG2 C 13 21.07 0.5 . . . . . . . . . . 4848 1 706 . 1 1 65 65 THR C C 13 173.35 0.5 . . . . . . . . . . 4848 1 707 . 1 1 66 66 LEU H H 1 9.15 0.05 . . . . . . . . . . 4848 1 708 . 1 1 66 66 LEU N N 15 129.10 0.5 . . . . . . . . . . 4848 1 709 . 1 1 66 66 LEU HA H 1 5.34 0.05 . . . . . . . . . . 4848 1 710 . 1 1 66 66 LEU CA C 13 53.16 0.5 . . . . . . . . . . 4848 1 711 . 1 1 66 66 LEU HB2 H 1 1.90 0.05 . . . . . . . . . . 4848 1 712 . 1 1 66 66 LEU HB3 H 1 1.90 0.05 . . . . . . . . . . 4848 1 713 . 1 1 66 66 LEU CB C 13 45.54 0.5 . . . . . . . . . . 4848 1 714 . 1 1 66 66 LEU HG H 1 1.56 0.05 . . . . . . . . . . 4848 1 715 . 1 1 66 66 LEU CG C 13 24.30 0.5 . . . . . . . . . . 4848 1 716 . 1 1 66 66 LEU HD11 H 1 0.86 0.05 . . . . . . . . . . 4848 1 717 . 1 1 66 66 LEU HD12 H 1 0.86 0.05 . . . . . . . . . . 4848 1 718 . 1 1 66 66 LEU HD13 H 1 0.86 0.05 . . . . . . . . . . 4848 1 719 . 1 1 66 66 LEU HD21 H 1 0.89 0.05 . . . . . . . . . . 4848 1 720 . 1 1 66 66 LEU HD22 H 1 0.89 0.05 . . . . . . . . . . 4848 1 721 . 1 1 66 66 LEU HD23 H 1 0.89 0.05 . . . . . . . . . . 4848 1 722 . 1 1 66 66 LEU CD1 C 13 23.90 0.5 . . . . . . . . . . 4848 1 723 . 1 1 66 66 LEU CD2 C 13 23.90 0.5 . . . . . . . . . . 4848 1 724 . 1 1 66 66 LEU C C 13 176.68 0.5 . . . . . . . . . . 4848 1 725 . 1 1 67 67 SER H H 1 8.77 0.05 . . . . . . . . . . 4848 1 726 . 1 1 67 67 SER N N 15 118.82 0.5 . . . . . . . . . . 4848 1 727 . 1 1 67 67 SER HA H 1 4.38 0.05 . . . . . . . . . . 4848 1 728 . 1 1 67 67 SER CA C 13 58.00 0.5 . . . . . . . . . . 4848 1 729 . 1 1 67 67 SER HB2 H 1 3.85 0.05 . . . . . . . . . . 4848 1 730 . 1 1 67 67 SER HB3 H 1 3.99 0.05 . . . . . . . . . . 4848 1 731 . 1 1 67 67 SER CB C 13 63.87 0.5 . . . . . . . . . . 4848 1 732 . 1 1 68 68 ALA H H 1 8.27 0.05 . . . . . . . . . . 4848 1 733 . 1 1 68 68 ALA N N 15 121.81 0.5 . . . . . . . . . . 4848 1 734 . 1 1 68 68 ALA HA H 1 4.70 0.05 . . . . . . . . . . 4848 1 735 . 1 1 68 68 ALA CA C 13 53.90 0.5 . . . . . . . . . . 4848 1 736 . 1 1 68 68 ALA HB1 H 1 1.27 0.05 . . . . . . . . . . 4848 1 737 . 1 1 68 68 ALA HB2 H 1 1.27 0.05 . . . . . . . . . . 4848 1 738 . 1 1 68 68 ALA HB3 H 1 1.27 0.05 . . . . . . . . . . 4848 1 739 . 1 1 68 68 ALA CB C 13 17.80 0.5 . . . . . . . . . . 4848 1 740 . 1 1 69 69 ASP H H 1 7.86 0.05 . . . . . . . . . . 4848 1 741 . 1 1 69 69 ASP N N 15 123.39 0.5 . . . . . . . . . . 4848 1 742 . 1 1 69 69 ASP HA H 1 4.47 0.05 . . . . . . . . . . 4848 1 743 . 1 1 69 69 ASP CA C 13 52.64 0.5 . . . . . . . . . . 4848 1 744 . 1 1 69 69 ASP HB2 H 1 2.65 0.05 . . . . . . . . . . 4848 1 745 . 1 1 69 69 ASP HB3 H 1 3.05 0.05 . . . . . . . . . . 4848 1 746 . 1 1 69 69 ASP CB C 13 39.74 0.5 . . . . . . . . . . 4848 1 747 . 1 1 70 70 ARG H H 1 7.93 0.05 . . . . . . . . . . 4848 1 748 . 1 1 70 70 ARG N N 15 111.86 0.5 . . . . . . . . . . 4848 1 749 . 1 1 70 70 ARG HA H 1 3.51 0.05 . . . . . . . . . . 4848 1 750 . 1 1 70 70 ARG CA C 13 58.10 0.5 . . . . . . . . . . 4848 1 751 . 1 1 70 70 ARG HB2 H 1 1.37 0.05 . . . . . . . . . . 4848 1 752 . 1 1 70 70 ARG HB3 H 1 1.37 0.05 . . . . . . . . . . 4848 1 753 . 1 1 70 70 ARG CB C 13 26.42 0.5 . . . . . . . . . . 4848 1 754 . 1 1 70 70 ARG HG2 H 1 1.90 0.05 . . . . . . . . . . 4848 1 755 . 1 1 70 70 ARG HG3 H 1 1.95 0.05 . . . . . . . . . . 4848 1 756 . 1 1 70 70 ARG CG C 13 28.04 0.5 . . . . . . . . . . 4848 1 757 . 1 1 70 70 ARG HD2 H 1 3.25 0.05 . . . . . . . . . . 4848 1 758 . 1 1 70 70 ARG HD3 H 1 3.25 0.05 . . . . . . . . . . 4848 1 759 . 1 1 70 70 ARG CD C 13 42.81 0.5 . . . . . . . . . . 4848 1 760 . 1 1 70 70 ARG C C 13 174.22 0.5 . . . . . . . . . . 4848 1 761 . 1 1 71 71 THR H H 1 7.87 0.05 . . . . . . . . . . 4848 1 762 . 1 1 71 71 THR N N 15 105.48 0.5 . . . . . . . . . . 4848 1 763 . 1 1 71 71 THR HA H 1 4.68 0.05 . . . . . . . . . . 4848 1 764 . 1 1 71 71 THR CA C 13 62.12 0.5 . . . . . . . . . . 4848 1 765 . 1 1 71 71 THR HB H 1 4.13 0.05 . . . . . . . . . . 4848 1 766 . 1 1 71 71 THR CB C 13 70.94 0.5 . . . . . . . . . . 4848 1 767 . 1 1 71 71 THR HG21 H 1 1.11 0.05 . . . . . . . . . . 4848 1 768 . 1 1 71 71 THR HG22 H 1 1.11 0.05 . . . . . . . . . . 4848 1 769 . 1 1 71 71 THR HG23 H 1 1.11 0.05 . . . . . . . . . . 4848 1 770 . 1 1 71 71 THR CG2 C 13 20.38 0.5 . . . . . . . . . . 4848 1 771 . 1 1 71 71 THR C C 13 173.91 0.5 . . . . . . . . . . 4848 1 772 . 1 1 72 72 ARG H H 1 7.70 0.05 . . . . . . . . . . 4848 1 773 . 1 1 72 72 ARG N N 15 121.71 0.5 . . . . . . . . . . 4848 1 774 . 1 1 72 72 ARG HA H 1 5.53 0.05 . . . . . . . . . . 4848 1 775 . 1 1 72 72 ARG CA C 13 53.36 0.5 . . . . . . . . . . 4848 1 776 . 1 1 72 72 ARG HB2 H 1 1.64 0.05 . . . . . . . . . . 4848 1 777 . 1 1 72 72 ARG HB3 H 1 1.64 0.05 . . . . . . . . . . 4848 1 778 . 1 1 72 72 ARG CB C 13 32.26 0.5 . . . . . . . . . . 4848 1 779 . 1 1 72 72 ARG HG2 H 1 1.34 0.05 . . . . . . . . . . 4848 1 780 . 1 1 72 72 ARG HG3 H 1 1.34 0.05 . . . . . . . . . . 4848 1 781 . 1 1 72 72 ARG CG C 13 27.71 0.5 . . . . . . . . . . 4848 1 782 . 1 1 72 72 ARG HD2 H 1 3.11 0.05 . . . . . . . . . . 4848 1 783 . 1 1 72 72 ARG HD3 H 1 3.11 0.05 . . . . . . . . . . 4848 1 784 . 1 1 72 72 ARG CD C 13 43.36 0.5 . . . . . . . . . . 4848 1 785 . 1 1 72 72 ARG C C 13 174.99 0.5 . . . . . . . . . . 4848 1 786 . 1 1 73 73 CYS H H 1 9.23 0.05 . . . . . . . . . . 4848 1 787 . 1 1 73 73 CYS N N 15 126.36 0.5 . . . . . . . . . . 4848 1 788 . 1 1 73 73 CYS HA H 1 5.30 0.05 . . . . . . . . . . 4848 1 789 . 1 1 73 73 CYS CA C 13 56.37 0.5 . . . . . . . . . . 4848 1 790 . 1 1 73 73 CYS HB2 H 1 2.49 0.05 . . . . . . . . . . 4848 1 791 . 1 1 73 73 CYS HB3 H 1 2.49 0.05 . . . . . . . . . . 4848 1 792 . 1 1 73 73 CYS CB C 13 30.51 0.5 . . . . . . . . . . 4848 1 793 . 1 1 73 73 CYS C C 13 172.54 0.5 . . . . . . . . . . 4848 1 794 . 1 1 74 74 GLU H H 1 8.88 0.05 . . . . . . . . . . 4848 1 795 . 1 1 74 74 GLU N N 15 129.59 0.5 . . . . . . . . . . 4848 1 796 . 1 1 74 74 GLU HA H 1 5.29 0.05 . . . . . . . . . . 4848 1 797 . 1 1 74 74 GLU CA C 13 54.46 0.5 . . . . . . . . . . 4848 1 798 . 1 1 74 74 GLU HB2 H 1 1.95 0.05 . . . . . . . . . . 4848 1 799 . 1 1 74 74 GLU HB3 H 1 1.95 0.05 . . . . . . . . . . 4848 1 800 . 1 1 74 74 GLU CB C 13 30.52 0.5 . . . . . . . . . . 4848 1 801 . 1 1 74 74 GLU HG2 H 1 2.14 0.05 . . . . . . . . . . 4848 1 802 . 1 1 74 74 GLU HG3 H 1 2.14 0.05 . . . . . . . . . . 4848 1 803 . 1 1 74 74 GLU CG C 13 36.53 0.5 . . . . . . . . . . 4848 1 804 . 1 1 74 74 GLU C C 13 175.25 0.5 . . . . . . . . . . 4848 1 805 . 1 1 75 75 ILE H H 1 9.40 0.05 . . . . . . . . . . 4848 1 806 . 1 1 75 75 ILE N N 15 128.11 0.5 . . . . . . . . . . 4848 1 807 . 1 1 75 75 ILE HA H 1 4.87 0.05 . . . . . . . . . . 4848 1 808 . 1 1 75 75 ILE CA C 13 59.94 0.5 . . . . . . . . . . 4848 1 809 . 1 1 75 75 ILE HB H 1 1.64 0.05 . . . . . . . . . . 4848 1 810 . 1 1 75 75 ILE CB C 13 41.41 0.5 . . . . . . . . . . 4848 1 811 . 1 1 75 75 ILE HG12 H 1 1.54 0.05 . . . . . . . . . . 4848 1 812 . 1 1 75 75 ILE HG13 H 1 1.54 0.05 . . . . . . . . . . 4848 1 813 . 1 1 75 75 ILE HG21 H 1 0.88 0.05 . . . . . . . . . . 4848 1 814 . 1 1 75 75 ILE HG22 H 1 0.88 0.05 . . . . . . . . . . 4848 1 815 . 1 1 75 75 ILE HG23 H 1 0.88 0.05 . . . . . . . . . . 4848 1 816 . 1 1 75 75 ILE CG1 C 13 28.47 0.5 . . . . . . . . . . 4848 1 817 . 1 1 75 75 ILE CG2 C 13 16.47 0.5 . . . . . . . . . . 4848 1 818 . 1 1 75 75 ILE HD11 H 1 0.70 0.05 . . . . . . . . . . 4848 1 819 . 1 1 75 75 ILE HD12 H 1 0.70 0.05 . . . . . . . . . . 4848 1 820 . 1 1 75 75 ILE HD13 H 1 0.70 0.05 . . . . . . . . . . 4848 1 821 . 1 1 75 75 ILE CD1 C 13 14.40 0.5 . . . . . . . . . . 4848 1 822 . 1 1 75 75 ILE C C 13 173.88 0.5 . . . . . . . . . . 4848 1 823 . 1 1 76 76 ILE H H 1 8.31 0.05 . . . . . . . . . . 4848 1 824 . 1 1 76 76 ILE N N 15 126.98 0.5 . . . . . . . . . . 4848 1 825 . 1 1 76 76 ILE HA H 1 4.02 0.05 . . . . . . . . . . 4848 1 826 . 1 1 76 76 ILE CA C 13 60.11 0.5 . . . . . . . . . . 4848 1 827 . 1 1 76 76 ILE HB H 1 2.08 0.05 . . . . . . . . . . 4848 1 828 . 1 1 76 76 ILE CB C 13 35.38 0.5 . . . . . . . . . . 4848 1 829 . 1 1 76 76 ILE HG12 H 1 1.69 0.05 . . . . . . . . . . 4848 1 830 . 1 1 76 76 ILE HG13 H 1 1.69 0.05 . . . . . . . . . . 4848 1 831 . 1 1 76 76 ILE HG21 H 1 0.94 0.05 . . . . . . . . . . 4848 1 832 . 1 1 76 76 ILE HG22 H 1 0.94 0.05 . . . . . . . . . . 4848 1 833 . 1 1 76 76 ILE HG23 H 1 0.94 0.05 . . . . . . . . . . 4848 1 834 . 1 1 76 76 ILE CG1 C 13 26.90 0.5 . . . . . . . . . . 4848 1 835 . 1 1 76 76 ILE CG2 C 13 16.91 0.5 . . . . . . . . . . 4848 1 836 . 1 1 76 76 ILE HD11 H 1 0.79 0.05 . . . . . . . . . . 4848 1 837 . 1 1 76 76 ILE HD12 H 1 0.79 0.05 . . . . . . . . . . 4848 1 838 . 1 1 76 76 ILE HD13 H 1 0.79 0.05 . . . . . . . . . . 4848 1 839 . 1 1 76 76 ILE CD1 C 13 11.30 0.5 . . . . . . . . . . 4848 1 840 . 1 1 76 76 ILE C C 13 175.08 0.5 . . . . . . . . . . 4848 1 841 . 1 1 77 77 GLY H H 1 8.09 0.05 . . . . . . . . . . 4848 1 842 . 1 1 77 77 GLY N N 15 115.12 0.5 . . . . . . . . . . 4848 1 843 . 1 1 77 77 GLY HA2 H 1 4.45 0.05 . . . . . . . . . . 4848 1 844 . 1 1 77 77 GLY HA3 H 1 4.10 0.05 . . . . . . . . . . 4848 1 845 . 1 1 77 77 GLY CA C 13 46.65 0.5 . . . . . . . . . . 4848 1 846 . 1 1 77 77 GLY C C 13 176.19 0.5 . . . . . . . . . . 4848 1 847 . 1 1 78 78 ASN H H 1 9.48 0.05 . . . . . . . . . . 4848 1 848 . 1 1 78 78 ASN N N 15 120.78 0.5 . . . . . . . . . . 4848 1 849 . 1 1 78 78 ASN HA H 1 4.43 0.05 . . . . . . . . . . 4848 1 850 . 1 1 78 78 ASN CA C 13 54.32 0.5 . . . . . . . . . . 4848 1 851 . 1 1 78 78 ASN HB2 H 1 2.65 0.05 . . . . . . . . . . 4848 1 852 . 1 1 78 78 ASN HB3 H 1 2.96 0.05 . . . . . . . . . . 4848 1 853 . 1 1 78 78 ASN CB C 13 41.08 0.5 . . . . . . . . . . 4848 1 854 . 1 1 78 78 ASN C C 13 176.22 0.5 . . . . . . . . . . 4848 1 855 . 1 1 79 79 GLY H H 1 7.83 0.05 . . . . . . . . . . 4848 1 856 . 1 1 79 79 GLY N N 15 106.68 0.5 . . . . . . . . . . 4848 1 857 . 1 1 79 79 GLY HA2 H 1 3.23 0.05 . . . . . . . . . . 4848 1 858 . 1 1 79 79 GLY HA3 H 1 2.34 0.05 . . . . . . . . . . 4848 1 859 . 1 1 79 79 GLY CA C 13 45.09 0.5 . . . . . . . . . . 4848 1 860 . 1 1 79 79 GLY C C 13 173.57 0.5 . . . . . . . . . . 4848 1 861 . 1 1 80 80 GLY H H 1 7.78 0.05 . . . . . . . . . . 4848 1 862 . 1 1 80 80 GLY N N 15 107.21 0.5 . . . . . . . . . . 4848 1 863 . 1 1 80 80 GLY HA2 H 1 4.50 0.05 . . . . . . . . . . 4848 1 864 . 1 1 80 80 GLY HA3 H 1 3.79 0.05 . . . . . . . . . . 4848 1 865 . 1 1 80 80 GLY CA C 13 43.74 0.5 . . . . . . . . . . 4848 1 866 . 1 1 80 80 GLY C C 13 170.28 0.5 . . . . . . . . . . 4848 1 867 . 1 1 81 81 PRO HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 868 . 1 1 81 81 PRO CA C 13 62.39 0.5 . . . . . . . . . . 4848 1 869 . 1 1 81 81 PRO HB2 H 1 2.25 0.05 . . . . . . . . . . 4848 1 870 . 1 1 81 81 PRO HB3 H 1 2.25 0.05 . . . . . . . . . . 4848 1 871 . 1 1 81 81 PRO CB C 13 31.89 0.5 . . . . . . . . . . 4848 1 872 . 1 1 81 81 PRO HG2 H 1 1.88 0.05 . . . . . . . . . . 4848 1 873 . 1 1 81 81 PRO HG3 H 1 2.01 0.05 . . . . . . . . . . 4848 1 874 . 1 1 81 81 PRO CG C 13 27.66 0.5 . . . . . . . . . . 4848 1 875 . 1 1 81 81 PRO HD3 H 1 3.60 0.05 . . . . . . . . . . 4848 1 876 . 1 1 81 81 PRO HD2 H 1 3.65 0.05 . . . . . . . . . . 4848 1 877 . 1 1 81 81 PRO CD C 13 49.13 0.5 . . . . . . . . . . 4848 1 878 . 1 1 82 82 LEU H H 1 8.12 0.05 . . . . . . . . . . 4848 1 879 . 1 1 82 82 LEU N N 15 122.03 0.5 . . . . . . . . . . 4848 1 880 . 1 1 82 82 LEU HA H 1 4.23 0.05 . . . . . . . . . . 4848 1 881 . 1 1 82 82 LEU CA C 13 54.46 0.5 . . . . . . . . . . 4848 1 882 . 1 1 82 82 LEU HB2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 883 . 1 1 82 82 LEU HB3 H 1 1.57 0.05 . . . . . . . . . . 4848 1 884 . 1 1 82 82 LEU CB C 13 40.54 0.5 . . . . . . . . . . 4848 1 885 . 1 1 82 82 LEU HG H 1 1.22 0.05 . . . . . . . . . . 4848 1 886 . 1 1 82 82 LEU CG C 13 24.67 0.5 . . . . . . . . . . 4848 1 887 . 1 1 82 82 LEU HD11 H 1 0.60 0.05 . . . . . . . . . . 4848 1 888 . 1 1 82 82 LEU HD12 H 1 0.60 0.05 . . . . . . . . . . 4848 1 889 . 1 1 82 82 LEU HD13 H 1 0.60 0.05 . . . . . . . . . . 4848 1 890 . 1 1 82 82 LEU HD21 H 1 0.60 0.05 . . . . . . . . . . 4848 1 891 . 1 1 82 82 LEU HD22 H 1 0.60 0.05 . . . . . . . . . . 4848 1 892 . 1 1 82 82 LEU HD23 H 1 0.60 0.05 . . . . . . . . . . 4848 1 893 . 1 1 82 82 LEU CD1 C 13 21.84 0.5 . . . . . . . . . . 4848 1 894 . 1 1 82 82 LEU CD2 C 13 21.84 0.5 . . . . . . . . . . 4848 1 895 . 1 1 82 82 LEU C C 13 177.00 0.5 . . . . . . . . . . 4848 1 896 . 1 1 83 83 HIS H H 1 9.09 0.05 . . . . . . . . . . 4848 1 897 . 1 1 83 83 HIS N N 15 122.22 0.5 . . . . . . . . . . 4848 1 898 . 1 1 83 83 HIS HA H 1 5.15 0.05 . . . . . . . . . . 4848 1 899 . 1 1 83 83 HIS CA C 13 55.27 0.5 . . . . . . . . . . 4848 1 900 . 1 1 83 83 HIS HB2 H 1 3.03 0.05 . . . . . . . . . . 4848 1 901 . 1 1 83 83 HIS HB3 H 1 3.09 0.05 . . . . . . . . . . 4848 1 902 . 1 1 83 83 HIS CB C 13 32.04 0.5 . . . . . . . . . . 4848 1 903 . 1 1 83 83 HIS C C 13 172.72 0.5 . . . . . . . . . . 4848 1 904 . 1 1 84 84 ALA H H 1 8.04 0.05 . . . . . . . . . . 4848 1 905 . 1 1 84 84 ALA N N 15 125.95 0.5 . . . . . . . . . . 4848 1 906 . 1 1 84 84 ALA HA H 1 4.47 0.05 . . . . . . . . . . 4848 1 907 . 1 1 84 84 ALA CA C 13 50.27 0.5 . . . . . . . . . . 4848 1 908 . 1 1 84 84 ALA HB1 H 1 1.25 0.05 . . . . . . . . . . 4848 1 909 . 1 1 84 84 ALA HB2 H 1 1.25 0.05 . . . . . . . . . . 4848 1 910 . 1 1 84 84 ALA HB3 H 1 1.25 0.05 . . . . . . . . . . 4848 1 911 . 1 1 84 84 ALA CB C 13 21.20 0.5 . . . . . . . . . . 4848 1 912 . 1 1 84 84 ALA C C 13 176.19 0.5 . . . . . . . . . . 4848 1 913 . 1 1 85 85 GLU H H 1 8.59 0.05 . . . . . . . . . . 4848 1 914 . 1 1 85 85 GLU N N 15 122.26 0.5 . . . . . . . . . . 4848 1 915 . 1 1 85 85 GLU HA H 1 4.22 0.05 . . . . . . . . . . 4848 1 916 . 1 1 85 85 GLU CA C 13 56.12 0.5 . . . . . . . . . . 4848 1 917 . 1 1 85 85 GLU HB2 H 1 1.95 0.05 . . . . . . . . . . 4848 1 918 . 1 1 85 85 GLU HB3 H 1 2.04 0.05 . . . . . . . . . . 4848 1 919 . 1 1 85 85 GLU CB C 13 29.55 0.5 . . . . . . . . . . 4848 1 920 . 1 1 85 85 GLU HG2 H 1 2.29 0.05 . . . . . . . . . . 4848 1 921 . 1 1 85 85 GLU HG3 H 1 2.36 0.05 . . . . . . . . . . 4848 1 922 . 1 1 85 85 GLU CG C 13 35.96 0.5 . . . . . . . . . . 4848 1 923 . 1 1 85 85 GLU C C 13 176.39 0.5 . . . . . . . . . . 4848 1 924 . 1 1 86 86 GLY H H 1 8.13 0.05 . . . . . . . . . . 4848 1 925 . 1 1 86 86 GLY N N 15 110.56 0.5 . . . . . . . . . . 4848 1 926 . 1 1 86 86 GLY HA2 H 1 3.88 0.05 . . . . . . . . . . 4848 1 927 . 1 1 86 86 GLY HA3 H 1 3.88 0.05 . . . . . . . . . . 4848 1 928 . 1 1 86 86 GLY CA C 13 43.94 0.5 . . . . . . . . . . 4848 1 929 . 1 1 86 86 GLY C C 13 172.53 0.5 . . . . . . . . . . 4848 1 930 . 1 1 87 87 ALA H H 1 8.15 0.05 . . . . . . . . . . 4848 1 931 . 1 1 87 87 ALA N N 15 123.09 0.5 . . . . . . . . . . 4848 1 932 . 1 1 87 87 ALA HA H 1 4.95 0.05 . . . . . . . . . . 4848 1 933 . 1 1 87 87 ALA CA C 13 51.83 0.5 . . . . . . . . . . 4848 1 934 . 1 1 87 87 ALA HB1 H 1 1.27 0.05 . . . . . . . . . . 4848 1 935 . 1 1 87 87 ALA HB2 H 1 1.27 0.05 . . . . . . . . . . 4848 1 936 . 1 1 87 87 ALA HB3 H 1 1.27 0.05 . . . . . . . . . . 4848 1 937 . 1 1 87 87 ALA CB C 13 18.06 0.5 . . . . . . . . . . 4848 1 938 . 1 1 87 87 ALA C C 13 177.90 0.5 . . . . . . . . . . 4848 1 939 . 1 1 88 88 LEU H H 1 8.03 0.05 . . . . . . . . . . 4848 1 940 . 1 1 88 88 LEU N N 15 122.67 0.5 . . . . . . . . . . 4848 1 941 . 1 1 88 88 LEU HA H 1 4.62 0.05 . . . . . . . . . . 4848 1 942 . 1 1 88 88 LEU CA C 13 53.86 0.5 . . . . . . . . . . 4848 1 943 . 1 1 88 88 LEU HB2 H 1 1.49 0.05 . . . . . . . . . . 4848 1 944 . 1 1 88 88 LEU HB3 H 1 1.49 0.05 . . . . . . . . . . 4848 1 945 . 1 1 88 88 LEU CB C 13 45.74 0.5 . . . . . . . . . . 4848 1 946 . 1 1 88 88 LEU HG H 1 1.49 0.05 . . . . . . . . . . 4848 1 947 . 1 1 88 88 LEU CG C 13 26.66 0.5 . . . . . . . . . . 4848 1 948 . 1 1 88 88 LEU HD11 H 1 0.85 0.05 . . . . . . . . . . 4848 1 949 . 1 1 88 88 LEU HD12 H 1 0.85 0.05 . . . . . . . . . . 4848 1 950 . 1 1 88 88 LEU HD13 H 1 0.85 0.05 . . . . . . . . . . 4848 1 951 . 1 1 88 88 LEU HD21 H 1 0.76 0.05 . . . . . . . . . . 4848 1 952 . 1 1 88 88 LEU HD22 H 1 0.76 0.05 . . . . . . . . . . 4848 1 953 . 1 1 88 88 LEU HD23 H 1 0.76 0.05 . . . . . . . . . . 4848 1 954 . 1 1 88 88 LEU CD1 C 13 24.35 0.5 . . . . . . . . . . 4848 1 955 . 1 1 88 88 LEU CD2 C 13 24.35 0.5 . . . . . . . . . . 4848 1 956 . 1 1 88 88 LEU C C 13 174.97 0.5 . . . . . . . . . . 4848 1 957 . 1 1 89 89 GLU H H 1 8.55 0.05 . . . . . . . . . . 4848 1 958 . 1 1 89 89 GLU N N 15 125.15 0.5 . . . . . . . . . . 4848 1 959 . 1 1 89 89 GLU HA H 1 4.97 0.05 . . . . . . . . . . 4848 1 960 . 1 1 89 89 GLU CA C 13 54.84 0.5 . . . . . . . . . . 4848 1 961 . 1 1 89 89 GLU HB2 H 1 1.72 0.05 . . . . . . . . . . 4848 1 962 . 1 1 89 89 GLU HB3 H 1 1.80 0.05 . . . . . . . . . . 4848 1 963 . 1 1 89 89 GLU CB C 13 31.27 0.5 . . . . . . . . . . 4848 1 964 . 1 1 89 89 GLU HG2 H 1 1.97 0.05 . . . . . . . . . . 4848 1 965 . 1 1 89 89 GLU HG3 H 1 1.97 0.05 . . . . . . . . . . 4848 1 966 . 1 1 89 89 GLU CG C 13 36.77 0.5 . . . . . . . . . . 4848 1 967 . 1 1 89 89 GLU C C 13 174.68 0.5 . . . . . . . . . . 4848 1 968 . 1 1 90 90 LEU H H 1 9.35 0.05 . . . . . . . . . . 4848 1 969 . 1 1 90 90 LEU N N 15 126.94 0.5 . . . . . . . . . . 4848 1 970 . 1 1 90 90 LEU HA H 1 4.63 0.05 . . . . . . . . . . 4848 1 971 . 1 1 90 90 LEU CA C 13 52.90 0.5 . . . . . . . . . . 4848 1 972 . 1 1 90 90 LEU HB2 H 1 1.70 0.05 . . . . . . . . . . 4848 1 973 . 1 1 90 90 LEU HB3 H 1 1.70 0.05 . . . . . . . . . . 4848 1 974 . 1 1 90 90 LEU CB C 13 42.72 0.5 . . . . . . . . . . 4848 1 975 . 1 1 90 90 LEU HG H 1 1.61 0.05 . . . . . . . . . . 4848 1 976 . 1 1 90 90 LEU CG C 13 28.52 0.5 . . . . . . . . . . 4848 1 977 . 1 1 90 90 LEU HD11 H 1 0.83 0.05 . . . . . . . . . . 4848 1 978 . 1 1 90 90 LEU HD12 H 1 0.83 0.05 . . . . . . . . . . 4848 1 979 . 1 1 90 90 LEU HD13 H 1 0.83 0.05 . . . . . . . . . . 4848 1 980 . 1 1 90 90 LEU HD21 H 1 0.90 0.05 . . . . . . . . . . 4848 1 981 . 1 1 90 90 LEU HD22 H 1 0.90 0.05 . . . . . . . . . . 4848 1 982 . 1 1 90 90 LEU HD23 H 1 0.90 0.05 . . . . . . . . . . 4848 1 983 . 1 1 90 90 LEU CD1 C 13 23.82 0.5 . . . . . . . . . . 4848 1 984 . 1 1 90 90 LEU CD2 C 13 25.12 0.5 . . . . . . . . . . 4848 1 985 . 1 1 90 90 LEU C C 13 173.54 0.5 . . . . . . . . . . 4848 1 986 . 1 1 91 91 PHE H H 1 8.79 0.05 . . . . . . . . . . 4848 1 987 . 1 1 91 91 PHE N N 15 124.72 0.5 . . . . . . . . . . 4848 1 988 . 1 1 91 91 PHE HA H 1 4.42 0.05 . . . . . . . . . . 4848 1 989 . 1 1 91 91 PHE CA C 13 57.21 0.5 . . . . . . . . . . 4848 1 990 . 1 1 91 91 PHE HB2 H 1 2.99 0.05 . . . . . . . . . . 4848 1 991 . 1 1 91 91 PHE HB3 H 1 3.14 0.05 . . . . . . . . . . 4848 1 992 . 1 1 91 91 PHE CB C 13 39.41 0.5 . . . . . . . . . . 4848 1 993 . 1 1 91 91 PHE C C 13 175.83 0.5 . . . . . . . . . . 4848 1 994 . 1 1 92 92 LEU H H 1 8.32 0.05 . . . . . . . . . . 4848 1 995 . 1 1 92 92 LEU N N 15 127.51 0.5 . . . . . . . . . . 4848 1 996 . 1 1 92 92 LEU HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 997 . 1 1 92 92 LEU CA C 13 52.12 0.5 . . . . . . . . . . 4848 1 998 . 1 1 92 92 LEU HB2 H 1 1.63 0.05 . . . . . . . . . . 4848 1 999 . 1 1 92 92 LEU HB3 H 1 1.63 0.05 . . . . . . . . . . 4848 1 1000 . 1 1 92 92 LEU CB C 13 41.48 0.5 . . . . . . . . . . 4848 1 1001 . 1 1 92 92 LEU HG H 1 1.63 0.05 . . . . . . . . . . 4848 1 1002 . 1 1 92 92 LEU CG C 13 26.28 0.5 . . . . . . . . . . 4848 1 1003 . 1 1 92 92 LEU HD11 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1004 . 1 1 92 92 LEU HD12 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1005 . 1 1 92 92 LEU HD13 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1006 . 1 1 92 92 LEU HD21 H 1 0.91 0.05 . . . . . . . . . . 4848 1 1007 . 1 1 92 92 LEU HD22 H 1 0.91 0.05 . . . . . . . . . . 4848 1 1008 . 1 1 92 92 LEU HD23 H 1 0.91 0.05 . . . . . . . . . . 4848 1 1009 . 1 1 92 92 LEU CD1 C 13 22.68 0.5 . . . . . . . . . . 4848 1 1010 . 1 1 92 92 LEU CD2 C 13 24.33 0.5 . . . . . . . . . . 4848 1 1011 . 1 1 92 92 LEU C C 13 174.58 0.5 . . . . . . . . . . 4848 1 1012 . 1 1 93 93 GLY H H 1 5.31 0.05 . . . . . . . . . . 4848 1 1013 . 1 1 93 93 GLY N N 15 103.28 0.5 . . . . . . . . . . 4848 1 1014 . 1 1 93 93 GLY HA2 H 1 2.73 0.05 . . . . . . . . . . 4848 1 1015 . 1 1 93 93 GLY HA3 H 1 3.25 0.05 . . . . . . . . . . 4848 1 1016 . 1 1 93 93 GLY CA C 13 47.76 0.5 . . . . . . . . . . 4848 1 1017 . 1 1 94 94 ASN H H 1 8.86 0.05 . . . . . . . . . . 4848 1 1018 . 1 1 94 94 ASN N N 15 126.90 0.5 . . . . . . . . . . 4848 1 1019 . 1 1 94 94 ASN HA H 1 5.02 0.05 . . . . . . . . . . 4848 1 1020 . 1 1 94 94 ASN CA C 13 51.43 0.5 . . . . . . . . . . 4848 1 1021 . 1 1 94 94 ASN HB2 H 1 2.47 0.05 . . . . . . . . . . 4848 1 1022 . 1 1 94 94 ASN HB3 H 1 2.83 0.05 . . . . . . . . . . 4848 1 1023 . 1 1 94 94 ASN CB C 13 38.95 0.5 . . . . . . . . . . 4848 1 1024 . 1 1 95 95 ALA H H 1 8.20 0.05 . . . . . . . . . . 4848 1 1025 . 1 1 95 95 ALA N N 15 123.24 0.5 . . . . . . . . . . 4848 1 1026 . 1 1 95 95 ALA HA H 1 4.58 0.05 . . . . . . . . . . 4848 1 1027 . 1 1 95 95 ALA CA C 13 51.02 0.5 . . . . . . . . . . 4848 1 1028 . 1 1 95 95 ALA HB1 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1029 . 1 1 95 95 ALA HB2 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1030 . 1 1 95 95 ALA HB3 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1031 . 1 1 95 95 ALA CB C 13 18.06 0.5 . . . . . . . . . . 4848 1 1032 . 1 1 95 95 ALA C C 13 177.67 0.5 . . . . . . . . . . 4848 1 1033 . 1 1 96 96 GLY H H 1 8.21 0.05 . . . . . . . . . . 4848 1 1034 . 1 1 96 96 GLY N N 15 106.12 0.5 . . . . . . . . . . 4848 1 1035 . 1 1 96 96 GLY HA2 H 1 3.82 0.05 . . . . . . . . . . 4848 1 1036 . 1 1 96 96 GLY HA3 H 1 2.93 0.05 . . . . . . . . . . 4848 1 1037 . 1 1 96 96 GLY CA C 13 45.20 0.5 . . . . . . . . . . 4848 1 1038 . 1 1 97 97 THR H H 1 7.96 0.05 . . . . . . . . . . 4848 1 1039 . 1 1 97 97 THR N N 15 107.94 0.5 . . . . . . . . . . 4848 1 1040 . 1 1 97 97 THR HA H 1 4.36 0.05 . . . . . . . . . . 4848 1 1041 . 1 1 97 97 THR CA C 13 63.35 0.5 . . . . . . . . . . 4848 1 1042 . 1 1 97 97 THR HB H 1 4.13 0.05 . . . . . . . . . . 4848 1 1043 . 1 1 97 97 THR HG21 H 1 1.08 0.05 . . . . . . . . . . 4848 1 1044 . 1 1 97 97 THR HG22 H 1 1.08 0.05 . . . . . . . . . . 4848 1 1045 . 1 1 97 97 THR HG23 H 1 1.08 0.05 . . . . . . . . . . 4848 1 1046 . 1 1 97 97 THR CG2 C 13 21.39 0.5 . . . . . . . . . . 4848 1 1047 . 1 1 98 98 ALA H H 1 7.32 0.05 . . . . . . . . . . 4848 1 1048 . 1 1 98 98 ALA N N 15 120.81 0.5 . . . . . . . . . . 4848 1 1049 . 1 1 98 98 ALA HA H 1 4.41 0.05 . . . . . . . . . . 4848 1 1050 . 1 1 98 98 ALA CA C 13 52.92 0.5 . . . . . . . . . . 4848 1 1051 . 1 1 98 98 ALA HB1 H 1 1.39 0.05 . . . . . . . . . . 4848 1 1052 . 1 1 98 98 ALA HB2 H 1 1.39 0.05 . . . . . . . . . . 4848 1 1053 . 1 1 98 98 ALA HB3 H 1 1.39 0.05 . . . . . . . . . . 4848 1 1054 . 1 1 98 98 ALA CB C 13 19.84 0.5 . . . . . . . . . . 4848 1 1055 . 1 1 98 98 ALA C C 13 176.91 0.5 . . . . . . . . . . 4848 1 1056 . 1 1 99 99 MET H H 1 8.01 0.05 . . . . . . . . . . 4848 1 1057 . 1 1 99 99 MET N N 15 115.19 0.5 . . . . . . . . . . 4848 1 1058 . 1 1 99 99 MET HA H 1 3.76 0.05 . . . . . . . . . . 4848 1 1059 . 1 1 99 99 MET CA C 13 58.61 0.5 . . . . . . . . . . 4848 1 1060 . 1 1 99 99 MET HB2 H 1 2.18 0.05 . . . . . . . . . . 4848 1 1061 . 1 1 99 99 MET HB3 H 1 2.38 0.05 . . . . . . . . . . 4848 1 1062 . 1 1 99 99 MET CB C 13 32.93 0.5 . . . . . . . . . . 4848 1 1063 . 1 1 99 99 MET HG2 H 1 2.47 0.05 . . . . . . . . . . 4848 1 1064 . 1 1 99 99 MET HG3 H 1 2.47 0.05 . . . . . . . . . . 4848 1 1065 . 1 1 99 99 MET CG C 13 31.51 0.5 . . . . . . . . . . 4848 1 1066 . 1 1 99 99 MET HE1 H 1 1.61 0.05 . . . . . . . . . . 4848 1 1067 . 1 1 99 99 MET HE2 H 1 1.61 0.05 . . . . . . . . . . 4848 1 1068 . 1 1 99 99 MET HE3 H 1 1.61 0.05 . . . . . . . . . . 4848 1 1069 . 1 1 99 99 MET CE C 13 17.58 0.5 . . . . . . . . . . 4848 1 1070 . 1 1 99 99 MET C C 13 176.04 0.5 . . . . . . . . . . 4848 1 1071 . 1 1 100 100 ARG H H 1 7.78 0.05 . . . . . . . . . . 4848 1 1072 . 1 1 100 100 ARG N N 15 113.54 0.5 . . . . . . . . . . 4848 1 1073 . 1 1 100 100 ARG HA H 1 4.37 0.05 . . . . . . . . . . 4848 1 1074 . 1 1 100 100 ARG CA C 13 62.05 0.5 . . . . . . . . . . 4848 1 1075 . 1 1 100 100 ARG HB2 H 1 1.89 0.05 . . . . . . . . . . 4848 1 1076 . 1 1 100 100 ARG HB3 H 1 2.01 0.05 . . . . . . . . . . 4848 1 1077 . 1 1 100 100 ARG CB C 13 27.29 0.5 . . . . . . . . . . 4848 1 1078 . 1 1 100 100 ARG HG2 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1079 . 1 1 100 100 ARG HG3 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1080 . 1 1 100 100 ARG CG C 13 31.13 0.5 . . . . . . . . . . 4848 1 1081 . 1 1 100 100 ARG HD2 H 1 3.24 0.05 . . . . . . . . . . 4848 1 1082 . 1 1 100 100 ARG HD3 H 1 3.24 0.05 . . . . . . . . . . 4848 1 1083 . 1 1 100 100 ARG CD C 13 43.44 0.5 . . . . . . . . . . 4848 1 1084 . 1 1 100 100 ARG C C 13 174.08 0.5 . . . . . . . . . . 4848 1 1085 . 1 1 101 101 PRO HA H 1 4.37 0.05 . . . . . . . . . . 4848 1 1086 . 1 1 101 101 PRO CA C 13 65.74 0.5 . . . . . . . . . . 4848 1 1087 . 1 1 101 101 PRO HB2 H 1 1.98 0.05 . . . . . . . . . . 4848 1 1088 . 1 1 101 101 PRO HB3 H 1 1.98 0.05 . . . . . . . . . . 4848 1 1089 . 1 1 101 101 PRO CB C 13 31.14 0.5 . . . . . . . . . . 4848 1 1090 . 1 1 101 101 PRO HG2 H 1 1.60 0.05 . . . . . . . . . . 4848 1 1091 . 1 1 101 101 PRO HG3 H 1 1.65 0.05 . . . . . . . . . . 4848 1 1092 . 1 1 101 101 PRO CG C 13 27.46 0.5 . . . . . . . . . . 4848 1 1093 . 1 1 101 101 PRO HD2 H 1 3.25 0.05 . . . . . . . . . . 4848 1 1094 . 1 1 101 101 PRO HD3 H 1 3.25 0.05 . . . . . . . . . . 4848 1 1095 . 1 1 101 101 PRO CD C 13 49.78 0.5 . . . . . . . . . . 4848 1 1096 . 1 1 102 102 LEU H H 1 7.25 0.05 . . . . . . . . . . 4848 1 1097 . 1 1 102 102 LEU N N 15 115.30 0.5 . . . . . . . . . . 4848 1 1098 . 1 1 102 102 LEU HA H 1 3.85 0.05 . . . . . . . . . . 4848 1 1099 . 1 1 102 102 LEU CA C 13 57.37 0.5 . . . . . . . . . . 4848 1 1100 . 1 1 102 102 LEU HB2 H 1 1.19 0.05 . . . . . . . . . . 4848 1 1101 . 1 1 102 102 LEU HB3 H 1 1.55 0.05 . . . . . . . . . . 4848 1 1102 . 1 1 102 102 LEU CB C 13 41.36 0.5 . . . . . . . . . . 4848 1 1103 . 1 1 102 102 LEU HG H 1 1.51 0.05 . . . . . . . . . . 4848 1 1104 . 1 1 102 102 LEU CG C 13 27.03 0.5 . . . . . . . . . . 4848 1 1105 . 1 1 102 102 LEU HD11 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1106 . 1 1 102 102 LEU HD12 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1107 . 1 1 102 102 LEU HD13 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1108 . 1 1 102 102 LEU HD21 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1109 . 1 1 102 102 LEU HD22 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1110 . 1 1 102 102 LEU HD23 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1111 . 1 1 102 102 LEU CD1 C 13 22.29 0.5 . . . . . . . . . . 4848 1 1112 . 1 1 102 102 LEU CD2 C 13 24.82 0.5 . . . . . . . . . . 4848 1 1113 . 1 1 102 102 LEU C C 13 176.75 0.5 . . . . . . . . . . 4848 1 1114 . 1 1 103 103 ALA H H 1 8.27 0.05 . . . . . . . . . . 4848 1 1115 . 1 1 103 103 ALA N N 15 119.18 0.5 . . . . . . . . . . 4848 1 1116 . 1 1 103 103 ALA HA H 1 3.73 0.05 . . . . . . . . . . 4848 1 1117 . 1 1 103 103 ALA CA C 13 54.24 0.5 . . . . . . . . . . 4848 1 1118 . 1 1 103 103 ALA HB1 H 1 1.11 0.05 . . . . . . . . . . 4848 1 1119 . 1 1 103 103 ALA HB2 H 1 1.11 0.05 . . . . . . . . . . 4848 1 1120 . 1 1 103 103 ALA HB3 H 1 1.11 0.05 . . . . . . . . . . 4848 1 1121 . 1 1 103 103 ALA CB C 13 16.40 0.5 . . . . . . . . . . 4848 1 1122 . 1 1 103 103 ALA C C 13 176.88 0.5 . . . . . . . . . . 4848 1 1123 . 1 1 104 104 ALA H H 1 6.60 0.05 . . . . . . . . . . 4848 1 1124 . 1 1 104 104 ALA N N 15 111.59 0.5 . . . . . . . . . . 4848 1 1125 . 1 1 104 104 ALA HA H 1 4.08 0.05 . . . . . . . . . . 4848 1 1126 . 1 1 104 104 ALA CA C 13 53.47 0.5 . . . . . . . . . . 4848 1 1127 . 1 1 104 104 ALA HB1 H 1 1.07 0.05 . . . . . . . . . . 4848 1 1128 . 1 1 104 104 ALA HB2 H 1 1.07 0.05 . . . . . . . . . . 4848 1 1129 . 1 1 104 104 ALA HB3 H 1 1.07 0.05 . . . . . . . . . . 4848 1 1130 . 1 1 104 104 ALA CB C 13 19.67 0.5 . . . . . . . . . . 4848 1 1131 . 1 1 104 104 ALA C C 13 177.98 0.5 . . . . . . . . . . 4848 1 1132 . 1 1 105 105 ALA H H 1 7.83 0.05 . . . . . . . . . . 4848 1 1133 . 1 1 105 105 ALA N N 15 119.21 0.5 . . . . . . . . . . 4848 1 1134 . 1 1 105 105 ALA HA H 1 4.09 0.05 . . . . . . . . . . 4848 1 1135 . 1 1 105 105 ALA CA C 13 54.92 0.5 . . . . . . . . . . 4848 1 1136 . 1 1 105 105 ALA HB1 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1137 . 1 1 105 105 ALA HB2 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1138 . 1 1 105 105 ALA HB3 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1139 . 1 1 105 105 ALA CB C 13 17.49 0.5 . . . . . . . . . . 4848 1 1140 . 1 1 105 105 ALA C C 13 180.59 0.5 . . . . . . . . . . 4848 1 1141 . 1 1 106 106 LEU H H 1 8.10 0.05 . . . . . . . . . . 4848 1 1142 . 1 1 106 106 LEU N N 15 112.95 0.5 . . . . . . . . . . 4848 1 1143 . 1 1 106 106 LEU HA H 1 4.28 0.05 . . . . . . . . . . 4848 1 1144 . 1 1 106 106 LEU CA C 13 54.58 0.5 . . . . . . . . . . 4848 1 1145 . 1 1 106 106 LEU HB2 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1146 . 1 1 106 106 LEU HB3 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1147 . 1 1 106 106 LEU CB C 13 39.53 0.5 . . . . . . . . . . 4848 1 1148 . 1 1 106 106 LEU HG H 1 1.46 0.05 . . . . . . . . . . 4848 1 1149 . 1 1 106 106 LEU CG C 13 26.08 0.5 . . . . . . . . . . 4848 1 1150 . 1 1 106 106 LEU HD11 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1151 . 1 1 106 106 LEU HD12 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1152 . 1 1 106 106 LEU HD13 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1153 . 1 1 106 106 LEU HD21 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1154 . 1 1 106 106 LEU HD22 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1155 . 1 1 106 106 LEU HD23 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1156 . 1 1 106 106 LEU CD1 C 13 21.50 0.5 . . . . . . . . . . 4848 1 1157 . 1 1 106 106 LEU CD2 C 13 22.18 0.5 . . . . . . . . . . 4848 1 1158 . 1 1 106 106 LEU C C 13 176.79 0.5 . . . . . . . . . . 4848 1 1159 . 1 1 107 107 CYS H H 1 7.68 0.05 . . . . . . . . . . 4848 1 1160 . 1 1 107 107 CYS N N 15 113.23 0.5 . . . . . . . . . . 4848 1 1161 . 1 1 107 107 CYS HA H 1 4.39 0.05 . . . . . . . . . . 4848 1 1162 . 1 1 107 107 CYS CA C 13 61.24 0.5 . . . . . . . . . . 4848 1 1163 . 1 1 107 107 CYS HB2 H 1 2.78 0.05 . . . . . . . . . . 4848 1 1164 . 1 1 107 107 CYS HB3 H 1 3.25 0.05 . . . . . . . . . . 4848 1 1165 . 1 1 107 107 CYS CB C 13 26.95 0.5 . . . . . . . . . . 4848 1 1166 . 1 1 107 107 CYS C C 13 174.00 0.5 . . . . . . . . . . 4848 1 1167 . 1 1 108 108 LEU H H 1 7.36 0.05 . . . . . . . . . . 4848 1 1168 . 1 1 108 108 LEU N N 15 119.84 0.5 . . . . . . . . . . 4848 1 1169 . 1 1 108 108 LEU HA H 1 4.63 0.05 . . . . . . . . . . 4848 1 1170 . 1 1 108 108 LEU CA C 13 54.49 0.5 . . . . . . . . . . 4848 1 1171 . 1 1 108 108 LEU HB2 H 1 1.39 0.05 . . . . . . . . . . 4848 1 1172 . 1 1 108 108 LEU HB3 H 1 2.06 0.05 . . . . . . . . . . 4848 1 1173 . 1 1 108 108 LEU CB C 13 41.90 0.5 . . . . . . . . . . 4848 1 1174 . 1 1 108 108 LEU HG H 1 1.13 0.05 . . . . . . . . . . 4848 1 1175 . 1 1 108 108 LEU CG C 13 26.33 0.5 . . . . . . . . . . 4848 1 1176 . 1 1 108 108 LEU HD11 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1177 . 1 1 108 108 LEU HD12 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1178 . 1 1 108 108 LEU HD13 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1179 . 1 1 108 108 LEU HD21 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1180 . 1 1 108 108 LEU HD22 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1181 . 1 1 108 108 LEU HD23 H 1 0.92 0.05 . . . . . . . . . . 4848 1 1182 . 1 1 108 108 LEU CD1 C 13 21.60 0.5 . . . . . . . . . . 4848 1 1183 . 1 1 108 108 LEU CD2 C 13 21.60 0.5 . . . . . . . . . . 4848 1 1184 . 1 1 108 108 LEU C C 13 178.36 0.5 . . . . . . . . . . 4848 1 1185 . 1 1 109 109 GLY H H 1 9.39 0.05 . . . . . . . . . . 4848 1 1186 . 1 1 109 109 GLY N N 15 112.39 0.5 . . . . . . . . . . 4848 1 1187 . 1 1 109 109 GLY HA2 H 1 3.65 0.05 . . . . . . . . . . 4848 1 1188 . 1 1 109 109 GLY HA3 H 1 4.09 0.05 . . . . . . . . . . 4848 1 1189 . 1 1 109 109 GLY CA C 13 45.26 0.5 . . . . . . . . . . 4848 1 1190 . 1 1 109 109 GLY C C 13 173.79 0.5 . . . . . . . . . . 4848 1 1191 . 1 1 110 110 SER H H 1 8.58 0.05 . . . . . . . . . . 4848 1 1192 . 1 1 110 110 SER N N 15 119.00 0.5 . . . . . . . . . . 4848 1 1193 . 1 1 110 110 SER HA H 1 4.78 0.05 . . . . . . . . . . 4848 1 1194 . 1 1 110 110 SER CA C 13 56.67 0.5 . . . . . . . . . . 4848 1 1195 . 1 1 110 110 SER HB2 H 1 3.78 0.05 . . . . . . . . . . 4848 1 1196 . 1 1 110 110 SER HB3 H 1 3.78 0.05 . . . . . . . . . . 4848 1 1197 . 1 1 110 110 SER CB C 13 63.28 0.5 . . . . . . . . . . 4848 1 1198 . 1 1 111 111 ASN H H 1 8.02 0.05 . . . . . . . . . . 4848 1 1199 . 1 1 111 111 ASN N N 15 121.35 0.5 . . . . . . . . . . 4848 1 1200 . 1 1 111 111 ASN HA H 1 4.78 0.05 . . . . . . . . . . 4848 1 1201 . 1 1 111 111 ASN CA C 13 52.76 0.5 . . . . . . . . . . 4848 1 1202 . 1 1 111 111 ASN HB2 H 1 2.61 0.05 . . . . . . . . . . 4848 1 1203 . 1 1 111 111 ASN HB3 H 1 2.69 0.05 . . . . . . . . . . 4848 1 1204 . 1 1 111 111 ASN CB C 13 42.65 0.5 . . . . . . . . . . 4848 1 1205 . 1 1 111 111 ASN C C 13 173.32 0.5 . . . . . . . . . . 4848 1 1206 . 1 1 112 112 ASP H H 1 8.67 0.05 . . . . . . . . . . 4848 1 1207 . 1 1 112 112 ASP N N 15 118.27 0.5 . . . . . . . . . . 4848 1 1208 . 1 1 112 112 ASP HA H 1 5.00 0.05 . . . . . . . . . . 4848 1 1209 . 1 1 112 112 ASP CA C 13 53.41 0.5 . . . . . . . . . . 4848 1 1210 . 1 1 112 112 ASP HB2 H 1 2.42 0.05 . . . . . . . . . . 4848 1 1211 . 1 1 112 112 ASP HB3 H 1 2.85 0.05 . . . . . . . . . . 4848 1 1212 . 1 1 112 112 ASP CB C 13 40.34 0.5 . . . . . . . . . . 4848 1 1213 . 1 1 113 113 ILE H H 1 8.44 0.05 . . . . . . . . . . 4848 1 1214 . 1 1 113 113 ILE N N 15 121.01 0.5 . . . . . . . . . . 4848 1 1215 . 1 1 113 113 ILE HA H 1 5.02 0.05 . . . . . . . . . . 4848 1 1216 . 1 1 113 113 ILE CA C 13 58.44 0.5 . . . . . . . . . . 4848 1 1217 . 1 1 113 113 ILE HB H 1 1.58 0.05 . . . . . . . . . . 4848 1 1218 . 1 1 113 113 ILE CB C 13 42.93 0.5 . . . . . . . . . . 4848 1 1219 . 1 1 113 113 ILE HG12 H 1 1.09 0.05 . . . . . . . . . . 4848 1 1220 . 1 1 113 113 ILE HG13 H 1 1.09 0.05 . . . . . . . . . . 4848 1 1221 . 1 1 113 113 ILE HG21 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1222 . 1 1 113 113 ILE HG22 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1223 . 1 1 113 113 ILE HG23 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1224 . 1 1 113 113 ILE CG1 C 13 27.59 0.5 . . . . . . . . . . 4848 1 1225 . 1 1 113 113 ILE CG2 C 13 16.92 0.5 . . . . . . . . . . 4848 1 1226 . 1 1 113 113 ILE HD11 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1227 . 1 1 113 113 ILE HD12 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1228 . 1 1 113 113 ILE HD13 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1229 . 1 1 113 113 ILE CD1 C 13 14.39 0.5 . . . . . . . . . . 4848 1 1230 . 1 1 113 113 ILE C C 13 174.81 0.5 . . . . . . . . . . 4848 1 1231 . 1 1 114 114 VAL H H 1 8.81 0.05 . . . . . . . . . . 4848 1 1232 . 1 1 114 114 VAL N N 15 127.50 0.5 . . . . . . . . . . 4848 1 1233 . 1 1 114 114 VAL HA H 1 5.00 0.05 . . . . . . . . . . 4848 1 1234 . 1 1 114 114 VAL CA C 13 60.38 0.5 . . . . . . . . . . 4848 1 1235 . 1 1 114 114 VAL HB H 1 1.81 0.05 . . . . . . . . . . 4848 1 1236 . 1 1 114 114 VAL CB C 13 33.70 0.5 . . . . . . . . . . 4848 1 1237 . 1 1 114 114 VAL HG11 H 1 0.96 0.05 . . . . . . . . . . 4848 1 1238 . 1 1 114 114 VAL HG12 H 1 0.96 0.05 . . . . . . . . . . 4848 1 1239 . 1 1 114 114 VAL HG13 H 1 0.96 0.05 . . . . . . . . . . 4848 1 1240 . 1 1 114 114 VAL HG21 H 1 0.75 0.05 . . . . . . . . . . 4848 1 1241 . 1 1 114 114 VAL HG22 H 1 0.75 0.05 . . . . . . . . . . 4848 1 1242 . 1 1 114 114 VAL HG23 H 1 0.75 0.05 . . . . . . . . . . 4848 1 1243 . 1 1 114 114 VAL CG1 C 13 21.46 0.5 . . . . . . . . . . 4848 1 1244 . 1 1 114 114 VAL CG2 C 13 20.00 0.5 . . . . . . . . . . 4848 1 1245 . 1 1 114 114 VAL C C 13 174.86 0.5 . . . . . . . . . . 4848 1 1246 . 1 1 115 115 LEU H H 1 8.86 0.05 . . . . . . . . . . 4848 1 1247 . 1 1 115 115 LEU N N 15 125.90 0.5 . . . . . . . . . . 4848 1 1248 . 1 1 115 115 LEU HA H 1 5.12 0.05 . . . . . . . . . . 4848 1 1249 . 1 1 115 115 LEU CA C 13 53.04 0.5 . . . . . . . . . . 4848 1 1250 . 1 1 115 115 LEU HB2 H 1 1.52 0.05 . . . . . . . . . . 4848 1 1251 . 1 1 115 115 LEU HB3 H 1 1.54 0.05 . . . . . . . . . . 4848 1 1252 . 1 1 115 115 LEU CB C 13 43.57 0.5 . . . . . . . . . . 4848 1 1253 . 1 1 115 115 LEU HG H 1 1.61 0.05 . . . . . . . . . . 4848 1 1254 . 1 1 115 115 LEU CG C 13 27.03 0.5 . . . . . . . . . . 4848 1 1255 . 1 1 115 115 LEU HD11 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1256 . 1 1 115 115 LEU HD12 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1257 . 1 1 115 115 LEU HD13 H 1 0.77 0.05 . . . . . . . . . . 4848 1 1258 . 1 1 115 115 LEU HD21 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1259 . 1 1 115 115 LEU HD22 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1260 . 1 1 115 115 LEU HD23 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1261 . 1 1 115 115 LEU CD1 C 13 25.54 0.5 . . . . . . . . . . 4848 1 1262 . 1 1 115 115 LEU CD2 C 13 24.05 0.5 . . . . . . . . . . 4848 1 1263 . 1 1 115 115 LEU C C 13 175.12 0.5 . . . . . . . . . . 4848 1 1264 . 1 1 116 116 THR H H 1 8.51 0.05 . . . . . . . . . . 4848 1 1265 . 1 1 116 116 THR N N 15 117.02 0.5 . . . . . . . . . . 4848 1 1266 . 1 1 116 116 THR HA H 1 4.45 0.05 . . . . . . . . . . 4848 1 1267 . 1 1 116 116 THR CA C 13 58.04 0.5 . . . . . . . . . . 4848 1 1268 . 1 1 116 116 THR HB H 1 3.89 0.05 . . . . . . . . . . 4848 1 1269 . 1 1 116 116 THR CB C 13 70.15 0.5 . . . . . . . . . . 4848 1 1270 . 1 1 116 116 THR HG21 H 1 1.18 0.05 . . . . . . . . . . 4848 1 1271 . 1 1 116 116 THR HG22 H 1 1.18 0.05 . . . . . . . . . . 4848 1 1272 . 1 1 116 116 THR HG23 H 1 1.18 0.05 . . . . . . . . . . 4848 1 1273 . 1 1 116 116 THR CG2 C 13 19.29 0.5 . . . . . . . . . . 4848 1 1274 . 1 1 117 117 GLY H H 1 8.26 0.05 . . . . . . . . . . 4848 1 1275 . 1 1 117 117 GLY N N 15 106.32 0.5 . . . . . . . . . . 4848 1 1276 . 1 1 117 117 GLY HA2 H 1 2.97 0.05 . . . . . . . . . . 4848 1 1277 . 1 1 117 117 GLY HA3 H 1 3.76 0.05 . . . . . . . . . . 4848 1 1278 . 1 1 117 117 GLY CA C 13 45.17 0.5 . . . . . . . . . . 4848 1 1279 . 1 1 117 117 GLY C C 13 171.62 0.5 . . . . . . . . . . 4848 1 1280 . 1 1 118 118 GLU H H 1 7.89 0.05 . . . . . . . . . . 4848 1 1281 . 1 1 118 118 GLU N N 15 119.88 0.5 . . . . . . . . . . 4848 1 1282 . 1 1 118 118 GLU HA H 1 5.41 0.05 . . . . . . . . . . 4848 1 1283 . 1 1 118 118 GLU CA C 13 55.20 0.5 . . . . . . . . . . 4848 1 1284 . 1 1 118 118 GLU HB2 H 1 1.60 0.05 . . . . . . . . . . 4848 1 1285 . 1 1 118 118 GLU HB3 H 1 1.60 0.05 . . . . . . . . . . 4848 1 1286 . 1 1 118 118 GLU CB C 13 28.25 0.5 . . . . . . . . . . 4848 1 1287 . 1 1 118 118 GLU HG2 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1288 . 1 1 118 118 GLU HG3 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1289 . 1 1 118 118 GLU C C 13 174.68 0.5 . . . . . . . . . . 4848 1 1290 . 1 1 119 119 PRO HA H 1 4.82 0.05 . . . . . . . . . . 4848 1 1291 . 1 1 119 119 PRO HB2 H 1 2.25 0.05 . . . . . . . . . . 4848 1 1292 . 1 1 119 119 PRO HB3 H 1 2.25 0.05 . . . . . . . . . . 4848 1 1293 . 1 1 119 119 PRO CB C 13 31.29 0.5 . . . . . . . . . . 4848 1 1294 . 1 1 119 119 PRO HG2 H 1 1.88 0.05 . . . . . . . . . . 4848 1 1295 . 1 1 119 119 PRO HG3 H 1 2.00 0.05 . . . . . . . . . . 4848 1 1296 . 1 1 119 119 PRO CG C 13 27.24 0.5 . . . . . . . . . . 4848 1 1297 . 1 1 119 119 PRO HD3 H 1 3.68 0.05 . . . . . . . . . . 4848 1 1298 . 1 1 119 119 PRO HD2 H 1 3.90 0.05 . . . . . . . . . . 4848 1 1299 . 1 1 119 119 PRO CD C 13 50.29 0.5 . . . . . . . . . . 4848 1 1300 . 1 1 120 120 ARG H H 1 8.59 0.05 . . . . . . . . . . 4848 1 1301 . 1 1 120 120 ARG N N 15 114.13 0.5 . . . . . . . . . . 4848 1 1302 . 1 1 120 120 ARG HA H 1 4.00 0.05 . . . . . . . . . . 4848 1 1303 . 1 1 120 120 ARG CA C 13 58.66 0.5 . . . . . . . . . . 4848 1 1304 . 1 1 120 120 ARG HB2 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1305 . 1 1 120 120 ARG HB3 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1306 . 1 1 120 120 ARG CB C 13 29.53 0.5 . . . . . . . . . . 4848 1 1307 . 1 1 120 120 ARG HG2 H 1 1.66 0.05 . . . . . . . . . . 4848 1 1308 . 1 1 120 120 ARG HG3 H 1 1.66 0.05 . . . . . . . . . . 4848 1 1309 . 1 1 120 120 ARG CG C 13 26.85 0.5 . . . . . . . . . . 4848 1 1310 . 1 1 120 120 ARG HD2 H 1 3.18 0.05 . . . . . . . . . . 4848 1 1311 . 1 1 120 120 ARG HD3 H 1 3.18 0.05 . . . . . . . . . . 4848 1 1312 . 1 1 120 120 ARG CD C 13 43.23 0.5 . . . . . . . . . . 4848 1 1313 . 1 1 120 120 ARG C C 13 178.87 0.5 . . . . . . . . . . 4848 1 1314 . 1 1 121 121 MET H H 1 7.70 0.05 . . . . . . . . . . 4848 1 1315 . 1 1 121 121 MET N N 15 119.80 0.5 . . . . . . . . . . 4848 1 1316 . 1 1 121 121 MET HA H 1 4.70 0.05 . . . . . . . . . . 4848 1 1317 . 1 1 121 121 MET CA C 13 57.17 0.5 . . . . . . . . . . 4848 1 1318 . 1 1 121 121 MET HB2 H 1 1.96 0.05 . . . . . . . . . . 4848 1 1319 . 1 1 121 121 MET HB3 H 1 2.10 0.05 . . . . . . . . . . 4848 1 1320 . 1 1 121 121 MET CB C 13 32.43 0.5 . . . . . . . . . . 4848 1 1321 . 1 1 121 121 MET HG2 H 1 2.42 0.05 . . . . . . . . . . 4848 1 1322 . 1 1 121 121 MET HG3 H 1 2.42 0.05 . . . . . . . . . . 4848 1 1323 . 1 1 121 121 MET CG C 13 32.29 0.5 . . . . . . . . . . 4848 1 1324 . 1 1 121 121 MET HE1 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1325 . 1 1 121 121 MET HE2 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1326 . 1 1 121 121 MET HE3 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1327 . 1 1 121 121 MET CE C 13 16.89 0.5 . . . . . . . . . . 4848 1 1328 . 1 1 121 121 MET C C 13 178.09 0.5 . . . . . . . . . . 4848 1 1329 . 1 1 122 122 LYS H H 1 7.45 0.05 . . . . . . . . . . 4848 1 1330 . 1 1 122 122 LYS N N 15 116.31 0.5 . . . . . . . . . . 4848 1 1331 . 1 1 122 122 LYS HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 1332 . 1 1 122 122 LYS CA C 13 57.47 0.5 . . . . . . . . . . 4848 1 1333 . 1 1 122 122 LYS HB2 H 1 1.88 0.05 . . . . . . . . . . 4848 1 1334 . 1 1 122 122 LYS HB3 H 1 1.88 0.05 . . . . . . . . . . 4848 1 1335 . 1 1 122 122 LYS CB C 13 31.36 0.5 . . . . . . . . . . 4848 1 1336 . 1 1 122 122 LYS HG2 H 1 1.43 0.05 . . . . . . . . . . 4848 1 1337 . 1 1 122 122 LYS HG3 H 1 1.43 0.05 . . . . . . . . . . 4848 1 1338 . 1 1 122 122 LYS CG C 13 24.10 0.5 . . . . . . . . . . 4848 1 1339 . 1 1 122 122 LYS HD2 H 1 1.68 0.05 . . . . . . . . . . 4848 1 1340 . 1 1 122 122 LYS HD3 H 1 1.68 0.05 . . . . . . . . . . 4848 1 1341 . 1 1 122 122 LYS CD C 13 29.50 0.5 . . . . . . . . . . 4848 1 1342 . 1 1 122 122 LYS HE2 H 1 2.97 0.05 . . . . . . . . . . 4848 1 1343 . 1 1 122 122 LYS HE3 H 1 2.97 0.05 . . . . . . . . . . 4848 1 1344 . 1 1 122 122 LYS CE C 13 43.41 0.5 . . . . . . . . . . 4848 1 1345 . 1 1 123 123 GLU H H 1 7.14 0.05 . . . . . . . . . . 4848 1 1346 . 1 1 123 123 GLU N N 15 113.56 0.5 . . . . . . . . . . 4848 1 1347 . 1 1 123 123 GLU HA H 1 4.06 0.05 . . . . . . . . . . 4848 1 1348 . 1 1 123 123 GLU CA C 13 55.72 0.5 . . . . . . . . . . 4848 1 1349 . 1 1 123 123 GLU HB2 H 1 2.14 0.05 . . . . . . . . . . 4848 1 1350 . 1 1 123 123 GLU HB3 H 1 2.14 0.05 . . . . . . . . . . 4848 1 1351 . 1 1 123 123 GLU CB C 13 30.03 0.5 . . . . . . . . . . 4848 1 1352 . 1 1 123 123 GLU HG2 H 1 2.30 0.05 . . . . . . . . . . 4848 1 1353 . 1 1 123 123 GLU HG3 H 1 2.30 0.05 . . . . . . . . . . 4848 1 1354 . 1 1 123 123 GLU CG C 13 36.12 0.5 . . . . . . . . . . 4848 1 1355 . 1 1 123 123 GLU C C 13 176.36 0.5 . . . . . . . . . . 4848 1 1356 . 1 1 124 124 ARG H H 1 7.49 0.05 . . . . . . . . . . 4848 1 1357 . 1 1 124 124 ARG N N 15 121.31 0.5 . . . . . . . . . . 4848 1 1358 . 1 1 124 124 ARG HA H 1 3.89 0.05 . . . . . . . . . . 4848 1 1359 . 1 1 124 124 ARG CA C 13 52.41 0.5 . . . . . . . . . . 4848 1 1360 . 1 1 124 124 ARG HB2 H 1 1.97 0.05 . . . . . . . . . . 4848 1 1361 . 1 1 124 124 ARG HB3 H 1 1.97 0.05 . . . . . . . . . . 4848 1 1362 . 1 1 124 124 ARG CB C 13 29.74 0.5 . . . . . . . . . . 4848 1 1363 . 1 1 124 124 ARG HG2 H 1 1.40 0.05 . . . . . . . . . . 4848 1 1364 . 1 1 124 124 ARG HG3 H 1 1.40 0.05 . . . . . . . . . . 4848 1 1365 . 1 1 124 124 ARG C C 13 173.53 0.5 . . . . . . . . . . 4848 1 1366 . 1 1 125 125 PRO HA H 1 4.48 0.05 . . . . . . . . . . 4848 1 1367 . 1 1 125 125 PRO CA C 13 62.50 0.5 . . . . . . . . . . 4848 1 1368 . 1 1 125 125 PRO HB2 H 1 1.87 0.05 . . . . . . . . . . 4848 1 1369 . 1 1 125 125 PRO HB3 H 1 2.27 0.05 . . . . . . . . . . 4848 1 1370 . 1 1 125 125 PRO CB C 13 32.08 0.5 . . . . . . . . . . 4848 1 1371 . 1 1 125 125 PRO HG2 H 1 2.00 0.05 . . . . . . . . . . 4848 1 1372 . 1 1 125 125 PRO HG3 H 1 2.00 0.05 . . . . . . . . . . 4848 1 1373 . 1 1 125 125 PRO CG C 13 26.79 0.5 . . . . . . . . . . 4848 1 1374 . 1 1 125 125 PRO HD3 H 1 3.77 0.05 . . . . . . . . . . 4848 1 1375 . 1 1 125 125 PRO HD2 H 1 3.81 0.05 . . . . . . . . . . 4848 1 1376 . 1 1 125 125 PRO CD C 13 45.11 0.5 . . . . . . . . . . 4848 1 1377 . 1 1 126 126 ILE H H 1 8.69 0.05 . . . . . . . . . . 4848 1 1378 . 1 1 126 126 ILE N N 15 119.50 0.5 . . . . . . . . . . 4848 1 1379 . 1 1 126 126 ILE HA H 1 5.03 0.05 . . . . . . . . . . 4848 1 1380 . 1 1 126 126 ILE CA C 13 59.08 0.5 . . . . . . . . . . 4848 1 1381 . 1 1 126 126 ILE HB H 1 1.85 0.05 . . . . . . . . . . 4848 1 1382 . 1 1 126 126 ILE CB C 13 43.71 0.5 . . . . . . . . . . 4848 1 1383 . 1 1 126 126 ILE HG12 H 1 1.62 0.05 . . . . . . . . . . 4848 1 1384 . 1 1 126 126 ILE HG13 H 1 1.62 0.05 . . . . . . . . . . 4848 1 1385 . 1 1 126 126 ILE HG21 H 1 0.69 0.05 . . . . . . . . . . 4848 1 1386 . 1 1 126 126 ILE HG22 H 1 0.69 0.05 . . . . . . . . . . 4848 1 1387 . 1 1 126 126 ILE HG23 H 1 0.69 0.05 . . . . . . . . . . 4848 1 1388 . 1 1 126 126 ILE CG1 C 13 30.63 0.5 . . . . . . . . . . 4848 1 1389 . 1 1 126 126 ILE CG2 C 13 17.33 0.5 . . . . . . . . . . 4848 1 1390 . 1 1 126 126 ILE HD11 H 1 0.58 0.05 . . . . . . . . . . 4848 1 1391 . 1 1 126 126 ILE HD12 H 1 0.58 0.05 . . . . . . . . . . 4848 1 1392 . 1 1 126 126 ILE HD13 H 1 0.58 0.05 . . . . . . . . . . 4848 1 1393 . 1 1 126 126 ILE CD1 C 13 14.64 0.5 . . . . . . . . . . 4848 1 1394 . 1 1 126 126 ILE C C 13 175.74 0.5 . . . . . . . . . . 4848 1 1395 . 1 1 127 127 GLY H H 1 7.41 0.05 . . . . . . . . . . 4848 1 1396 . 1 1 127 127 GLY N N 15 114.37 0.5 . . . . . . . . . . 4848 1 1397 . 1 1 127 127 GLY HA2 H 1 3.92 0.05 . . . . . . . . . . 4848 1 1398 . 1 1 127 127 GLY HA3 H 1 3.92 0.05 . . . . . . . . . . 4848 1 1399 . 1 1 127 127 GLY CA C 13 47.16 0.5 . . . . . . . . . . 4848 1 1400 . 1 1 127 127 GLY C C 13 174.74 0.5 . . . . . . . . . . 4848 1 1401 . 1 1 128 128 HIS H H 1 8.30 0.05 . . . . . . . . . . 4848 1 1402 . 1 1 128 128 HIS N N 15 116.74 0.5 . . . . . . . . . . 4848 1 1403 . 1 1 128 128 HIS HA H 1 4.34 0.05 . . . . . . . . . . 4848 1 1404 . 1 1 128 128 HIS CA C 13 57.69 0.5 . . . . . . . . . . 4848 1 1405 . 1 1 128 128 HIS HB2 H 1 2.05 0.05 . . . . . . . . . . 4848 1 1406 . 1 1 128 128 HIS HB3 H 1 2.74 0.05 . . . . . . . . . . 4848 1 1407 . 1 1 128 128 HIS CB C 13 31.28 0.5 . . . . . . . . . . 4848 1 1408 . 1 1 128 128 HIS C C 13 179.33 0.5 . . . . . . . . . . 4848 1 1409 . 1 1 129 129 LEU H H 1 6.53 0.05 . . . . . . . . . . 4848 1 1410 . 1 1 129 129 LEU N N 15 116.46 0.5 . . . . . . . . . . 4848 1 1411 . 1 1 129 129 LEU CA C 13 56.40 0.5 . . . . . . . . . . 4848 1 1412 . 1 1 129 129 LEU HB2 H 1 1.38 0.05 . . . . . . . . . . 4848 1 1413 . 1 1 129 129 LEU HB3 H 1 1.38 0.05 . . . . . . . . . . 4848 1 1414 . 1 1 129 129 LEU CB C 13 41.35 0.5 . . . . . . . . . . 4848 1 1415 . 1 1 129 129 LEU HG H 1 1.17 0.05 . . . . . . . . . . 4848 1 1416 . 1 1 129 129 LEU CG C 13 26.31 0.5 . . . . . . . . . . 4848 1 1417 . 1 1 129 129 LEU HD11 H 1 0.84 0.05 . . . . . . . . . . 4848 1 1418 . 1 1 129 129 LEU HD12 H 1 0.84 0.05 . . . . . . . . . . 4848 1 1419 . 1 1 129 129 LEU HD13 H 1 0.84 0.05 . . . . . . . . . . 4848 1 1420 . 1 1 129 129 LEU HD21 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1421 . 1 1 129 129 LEU HD22 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1422 . 1 1 129 129 LEU HD23 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1423 . 1 1 129 129 LEU CD1 C 13 22.18 0.5 . . . . . . . . . . 4848 1 1424 . 1 1 129 129 LEU CD2 C 13 24.42 0.5 . . . . . . . . . . 4848 1 1425 . 1 1 129 129 LEU C C 13 176.53 0.5 . . . . . . . . . . 4848 1 1426 . 1 1 130 130 VAL H H 1 7.35 0.05 . . . . . . . . . . 4848 1 1427 . 1 1 130 130 VAL N N 15 119.97 0.5 . . . . . . . . . . 4848 1 1428 . 1 1 130 130 VAL HA H 1 3.20 0.05 . . . . . . . . . . 4848 1 1429 . 1 1 130 130 VAL CA C 13 66.62 0.5 . . . . . . . . . . 4848 1 1430 . 1 1 130 130 VAL HB H 1 2.21 0.05 . . . . . . . . . . 4848 1 1431 . 1 1 130 130 VAL CB C 13 31.33 0.5 . . . . . . . . . . 4848 1 1432 . 1 1 130 130 VAL HG11 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1433 . 1 1 130 130 VAL HG12 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1434 . 1 1 130 130 VAL HG13 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1435 . 1 1 130 130 VAL HG21 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1436 . 1 1 130 130 VAL HG22 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1437 . 1 1 130 130 VAL HG23 H 1 0.74 0.05 . . . . . . . . . . 4848 1 1438 . 1 1 130 130 VAL CG1 C 13 19.42 0.5 . . . . . . . . . . 4848 1 1439 . 1 1 130 130 VAL CG2 C 13 23.09 0.5 . . . . . . . . . . 4848 1 1440 . 1 1 130 130 VAL C C 13 177.42 0.5 . . . . . . . . . . 4848 1 1441 . 1 1 131 131 ASP H H 1 9.18 0.05 . . . . . . . . . . 4848 1 1442 . 1 1 131 131 ASP N N 15 118.04 0.5 . . . . . . . . . . 4848 1 1443 . 1 1 131 131 ASP HA H 1 4.24 0.05 . . . . . . . . . . 4848 1 1444 . 1 1 131 131 ASP CA C 13 57.04 0.5 . . . . . . . . . . 4848 1 1445 . 1 1 131 131 ASP HB2 H 1 2.64 0.05 . . . . . . . . . . 4848 1 1446 . 1 1 131 131 ASP HB3 H 1 2.64 0.05 . . . . . . . . . . 4848 1 1447 . 1 1 131 131 ASP CB C 13 39.73 0.5 . . . . . . . . . . 4848 1 1448 . 1 1 131 131 ASP C C 13 178.67 0.5 . . . . . . . . . . 4848 1 1449 . 1 1 132 132 ALA H H 1 6.75 0.05 . . . . . . . . . . 4848 1 1450 . 1 1 132 132 ALA N N 15 120.98 0.5 . . . . . . . . . . 4848 1 1451 . 1 1 132 132 ALA HA H 1 4.29 0.05 . . . . . . . . . . 4848 1 1452 . 1 1 132 132 ALA CA C 13 54.89 0.5 . . . . . . . . . . 4848 1 1453 . 1 1 132 132 ALA HB1 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1454 . 1 1 132 132 ALA HB2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1455 . 1 1 132 132 ALA HB3 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1456 . 1 1 132 132 ALA CB C 13 19.41 0.5 . . . . . . . . . . 4848 1 1457 . 1 1 132 132 ALA C C 13 178.87 0.5 . . . . . . . . . . 4848 1 1458 . 1 1 133 133 LEU H H 1 8.25 0.05 . . . . . . . . . . 4848 1 1459 . 1 1 133 133 LEU N N 15 116.71 0.5 . . . . . . . . . . 4848 1 1460 . 1 1 133 133 LEU HA H 1 4.04 0.05 . . . . . . . . . . 4848 1 1461 . 1 1 133 133 LEU CA C 13 57.67 0.5 . . . . . . . . . . 4848 1 1462 . 1 1 133 133 LEU HB2 H 1 1.84 0.05 . . . . . . . . . . 4848 1 1463 . 1 1 133 133 LEU HB3 H 1 1.84 0.05 . . . . . . . . . . 4848 1 1464 . 1 1 133 133 LEU CB C 13 40.66 0.5 . . . . . . . . . . 4848 1 1465 . 1 1 133 133 LEU HG H 1 1.34 0.05 . . . . . . . . . . 4848 1 1466 . 1 1 133 133 LEU CG C 13 25.27 0.5 . . . . . . . . . . 4848 1 1467 . 1 1 133 133 LEU HD11 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1468 . 1 1 133 133 LEU HD12 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1469 . 1 1 133 133 LEU HD13 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1470 . 1 1 133 133 LEU HD21 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1471 . 1 1 133 133 LEU HD22 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1472 . 1 1 133 133 LEU HD23 H 1 0.46 0.05 . . . . . . . . . . 4848 1 1473 . 1 1 133 133 LEU CD1 C 13 21.57 0.5 . . . . . . . . . . 4848 1 1474 . 1 1 133 133 LEU CD2 C 13 21.57 0.5 . . . . . . . . . . 4848 1 1475 . 1 1 133 133 LEU C C 13 181.20 0.5 . . . . . . . . . . 4848 1 1476 . 1 1 134 134 ARG H H 1 8.93 0.05 . . . . . . . . . . 4848 1 1477 . 1 1 134 134 ARG N N 15 119.04 0.5 . . . . . . . . . . 4848 1 1478 . 1 1 134 134 ARG HA H 1 4.59 0.05 . . . . . . . . . . 4848 1 1479 . 1 1 134 134 ARG CA C 13 59.04 0.5 . . . . . . . . . . 4848 1 1480 . 1 1 134 134 ARG HB2 H 1 1.89 0.05 . . . . . . . . . . 4848 1 1481 . 1 1 134 134 ARG HB3 H 1 1.89 0.05 . . . . . . . . . . 4848 1 1482 . 1 1 134 134 ARG CB C 13 30.62 0.5 . . . . . . . . . . 4848 1 1483 . 1 1 134 134 ARG HG2 H 1 1.60 0.05 . . . . . . . . . . 4848 1 1484 . 1 1 134 134 ARG HG3 H 1 1.71 0.05 . . . . . . . . . . 4848 1 1485 . 1 1 134 134 ARG CG C 13 27.20 0.5 . . . . . . . . . . 4848 1 1486 . 1 1 134 134 ARG HD2 H 1 2.70 0.05 . . . . . . . . . . 4848 1 1487 . 1 1 134 134 ARG HD3 H 1 2.70 0.05 . . . . . . . . . . 4848 1 1488 . 1 1 134 134 ARG CD C 13 44.51 0.5 . . . . . . . . . . 4848 1 1489 . 1 1 134 134 ARG C C 13 181.74 0.5 . . . . . . . . . . 4848 1 1490 . 1 1 135 135 LEU H H 1 7.69 0.05 . . . . . . . . . . 4848 1 1491 . 1 1 135 135 LEU N N 15 121.28 0.5 . . . . . . . . . . 4848 1 1492 . 1 1 135 135 LEU HA H 1 4.34 0.05 . . . . . . . . . . 4848 1 1493 . 1 1 135 135 LEU CA C 13 57.63 0.5 . . . . . . . . . . 4848 1 1494 . 1 1 135 135 LEU HB2 H 1 1.71 0.05 . . . . . . . . . . 4848 1 1495 . 1 1 135 135 LEU HB3 H 1 2.42 0.05 . . . . . . . . . . 4848 1 1496 . 1 1 135 135 LEU CB C 13 41.18 0.5 . . . . . . . . . . 4848 1 1497 . 1 1 135 135 LEU HG H 1 1.23 0.05 . . . . . . . . . . 4848 1 1498 . 1 1 135 135 LEU HD11 H 1 2.07 0.05 . . . . . . . . . . 4848 1 1499 . 1 1 135 135 LEU HD12 H 1 2.07 0.05 . . . . . . . . . . 4848 1 1500 . 1 1 135 135 LEU HD13 H 1 2.07 0.05 . . . . . . . . . . 4848 1 1501 . 1 1 135 135 LEU CG C 13 26.40 0.5 . . . . . . . . . . 4848 1 1502 . 1 1 135 135 LEU HD21 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1503 . 1 1 135 135 LEU HD22 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1504 . 1 1 135 135 LEU HD23 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1505 . 1 1 135 135 LEU CD1 C 13 21.78 0.5 . . . . . . . . . . 4848 1 1506 . 1 1 135 135 LEU CD2 C 13 21.78 0.5 . . . . . . . . . . 4848 1 1507 . 1 1 135 135 LEU C C 13 178.55 0.5 . . . . . . . . . . 4848 1 1508 . 1 1 136 136 GLY H H 1 7.50 0.05 . . . . . . . . . . 4848 1 1509 . 1 1 136 136 GLY N N 15 104.06 0.5 . . . . . . . . . . 4848 1 1510 . 1 1 136 136 GLY HA2 H 1 4.24 0.05 . . . . . . . . . . 4848 1 1511 . 1 1 136 136 GLY HA3 H 1 3.11 0.05 . . . . . . . . . . 4848 1 1512 . 1 1 136 136 GLY CA C 13 44.55 0.5 . . . . . . . . . . 4848 1 1513 . 1 1 136 136 GLY C C 13 172.62 0.5 . . . . . . . . . . 4848 1 1514 . 1 1 137 137 GLY H H 1 7.63 0.05 . . . . . . . . . . 4848 1 1515 . 1 1 137 137 GLY N N 15 105.98 0.5 . . . . . . . . . . 4848 1 1516 . 1 1 137 137 GLY HA2 H 1 4.60 0.05 . . . . . . . . . . 4848 1 1517 . 1 1 137 137 GLY HA3 H 1 3.54 0.05 . . . . . . . . . . 4848 1 1518 . 1 1 137 137 GLY CA C 13 44.44 0.5 . . . . . . . . . . 4848 1 1519 . 1 1 137 137 GLY C C 13 174.16 0.5 . . . . . . . . . . 4848 1 1520 . 1 1 138 138 ALA H H 1 7.89 0.05 . . . . . . . . . . 4848 1 1521 . 1 1 138 138 ALA N N 15 119.75 0.5 . . . . . . . . . . 4848 1 1522 . 1 1 138 138 ALA HA H 1 4.22 0.05 . . . . . . . . . . 4848 1 1523 . 1 1 138 138 ALA CA C 13 52.30 0.5 . . . . . . . . . . 4848 1 1524 . 1 1 138 138 ALA HB1 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1525 . 1 1 138 138 ALA HB2 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1526 . 1 1 138 138 ALA HB3 H 1 1.25 0.05 . . . . . . . . . . 4848 1 1527 . 1 1 138 138 ALA CB C 13 21.18 0.5 . . . . . . . . . . 4848 1 1528 . 1 1 138 138 ALA C C 13 176.82 0.5 . . . . . . . . . . 4848 1 1529 . 1 1 139 139 LYS H H 1 8.74 0.05 . . . . . . . . . . 4848 1 1530 . 1 1 139 139 LYS N N 15 122.57 0.5 . . . . . . . . . . 4848 1 1531 . 1 1 139 139 LYS HA H 1 4.60 0.05 . . . . . . . . . . 4848 1 1532 . 1 1 139 139 LYS CA C 13 54.73 0.5 . . . . . . . . . . 4848 1 1533 . 1 1 139 139 LYS HB2 H 1 1.69 0.05 . . . . . . . . . . 4848 1 1534 . 1 1 139 139 LYS HB3 H 1 1.69 0.05 . . . . . . . . . . 4848 1 1535 . 1 1 139 139 LYS CB C 13 31.88 0.5 . . . . . . . . . . 4848 1 1536 . 1 1 139 139 LYS HG2 H 1 1.41 0.05 . . . . . . . . . . 4848 1 1537 . 1 1 139 139 LYS HG3 H 1 1.45 0.05 . . . . . . . . . . 4848 1 1538 . 1 1 139 139 LYS CG C 13 23.92 0.5 . . . . . . . . . . 4848 1 1539 . 1 1 139 139 LYS HD2 H 1 1.59 0.05 . . . . . . . . . . 4848 1 1540 . 1 1 139 139 LYS HD3 H 1 1.59 0.05 . . . . . . . . . . 4848 1 1541 . 1 1 139 139 LYS CD C 13 28.32 0.5 . . . . . . . . . . 4848 1 1542 . 1 1 139 139 LYS HE2 H 1 2.91 0.05 . . . . . . . . . . 4848 1 1543 . 1 1 139 139 LYS HE3 H 1 2.91 0.05 . . . . . . . . . . 4848 1 1544 . 1 1 139 139 LYS CE C 13 41.86 0.5 . . . . . . . . . . 4848 1 1545 . 1 1 139 139 LYS C C 13 175.76 0.5 . . . . . . . . . . 4848 1 1546 . 1 1 140 140 ILE H H 1 9.05 0.05 . . . . . . . . . . 4848 1 1547 . 1 1 140 140 ILE N N 15 127.34 0.5 . . . . . . . . . . 4848 1 1548 . 1 1 140 140 ILE HA H 1 4.93 0.05 . . . . . . . . . . 4848 1 1549 . 1 1 140 140 ILE CA C 13 60.09 0.5 . . . . . . . . . . 4848 1 1550 . 1 1 140 140 ILE HB H 1 1.27 0.05 . . . . . . . . . . 4848 1 1551 . 1 1 140 140 ILE CB C 13 42.03 0.5 . . . . . . . . . . 4848 1 1552 . 1 1 140 140 ILE HG12 H 1 1.43 0.05 . . . . . . . . . . 4848 1 1553 . 1 1 140 140 ILE HG13 H 1 1.43 0.05 . . . . . . . . . . 4848 1 1554 . 1 1 140 140 ILE HG21 H 1 0.43 0.05 . . . . . . . . . . 4848 1 1555 . 1 1 140 140 ILE HG22 H 1 0.43 0.05 . . . . . . . . . . 4848 1 1556 . 1 1 140 140 ILE HG23 H 1 0.43 0.05 . . . . . . . . . . 4848 1 1557 . 1 1 140 140 ILE CG1 C 13 27.06 0.5 . . . . . . . . . . 4848 1 1558 . 1 1 140 140 ILE CG2 C 13 17.85 0.5 . . . . . . . . . . 4848 1 1559 . 1 1 140 140 ILE HD11 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1560 . 1 1 140 140 ILE HD12 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1561 . 1 1 140 140 ILE HD13 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1562 . 1 1 140 140 ILE CD1 C 13 16.15 0.5 . . . . . . . . . . 4848 1 1563 . 1 1 140 140 ILE C C 13 174.66 0.5 . . . . . . . . . . 4848 1 1564 . 1 1 141 141 THR H H 1 8.78 0.05 . . . . . . . . . . 4848 1 1565 . 1 1 141 141 THR N N 15 122.89 0.5 . . . . . . . . . . 4848 1 1566 . 1 1 141 141 THR HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 1567 . 1 1 141 141 THR CA C 13 60.37 0.5 . . . . . . . . . . 4848 1 1568 . 1 1 141 141 THR HB H 1 3.86 0.05 . . . . . . . . . . 4848 1 1569 . 1 1 141 141 THR CB C 13 71.38 0.5 . . . . . . . . . . 4848 1 1570 . 1 1 141 141 THR HG21 H 1 1.16 0.05 . . . . . . . . . . 4848 1 1571 . 1 1 141 141 THR HG22 H 1 1.16 0.05 . . . . . . . . . . 4848 1 1572 . 1 1 141 141 THR HG23 H 1 1.16 0.05 . . . . . . . . . . 4848 1 1573 . 1 1 141 141 THR CG2 C 13 20.78 0.5 . . . . . . . . . . 4848 1 1574 . 1 1 141 141 THR C C 13 173.69 0.5 . . . . . . . . . . 4848 1 1575 . 1 1 142 142 TYR H H 1 8.94 0.05 . . . . . . . . . . 4848 1 1576 . 1 1 142 142 TYR N N 15 125.68 0.5 . . . . . . . . . . 4848 1 1577 . 1 1 142 142 TYR HA H 1 4.49 0.05 . . . . . . . . . . 4848 1 1578 . 1 1 142 142 TYR CA C 13 58.47 0.5 . . . . . . . . . . 4848 1 1579 . 1 1 142 142 TYR HB2 H 1 2.73 0.05 . . . . . . . . . . 4848 1 1580 . 1 1 142 142 TYR HB3 H 1 3.20 0.05 . . . . . . . . . . 4848 1 1581 . 1 1 142 142 TYR CB C 13 36.66 0.5 . . . . . . . . . . 4848 1 1582 . 1 1 142 142 TYR C C 13 175.92 0.5 . . . . . . . . . . 4848 1 1583 . 1 1 143 143 LEU H H 1 7.58 0.05 . . . . . . . . . . 4848 1 1584 . 1 1 143 143 LEU N N 15 123.53 0.5 . . . . . . . . . . 4848 1 1585 . 1 1 143 143 LEU HA H 1 4.27 0.05 . . . . . . . . . . 4848 1 1586 . 1 1 143 143 LEU CA C 13 55.87 0.5 . . . . . . . . . . 4848 1 1587 . 1 1 143 143 LEU HB2 H 1 1.65 0.05 . . . . . . . . . . 4848 1 1588 . 1 1 143 143 LEU HB3 H 1 1.65 0.05 . . . . . . . . . . 4848 1 1589 . 1 1 143 143 LEU CB C 13 42.69 0.5 . . . . . . . . . . 4848 1 1590 . 1 1 143 143 LEU HG H 1 1.43 0.05 . . . . . . . . . . 4848 1 1591 . 1 1 143 143 LEU CG C 13 26.42 0.5 . . . . . . . . . . 4848 1 1592 . 1 1 143 143 LEU HD11 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1593 . 1 1 143 143 LEU HD12 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1594 . 1 1 143 143 LEU HD13 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1595 . 1 1 143 143 LEU HD21 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1596 . 1 1 143 143 LEU HD22 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1597 . 1 1 143 143 LEU HD23 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1598 . 1 1 143 143 LEU CD1 C 13 22.93 0.5 . . . . . . . . . . 4848 1 1599 . 1 1 143 143 LEU CD2 C 13 21.92 0.5 . . . . . . . . . . 4848 1 1600 . 1 1 143 143 LEU C C 13 177.42 0.5 . . . . . . . . . . 4848 1 1601 . 1 1 144 144 GLU H H 1 9.52 0.05 . . . . . . . . . . 4848 1 1602 . 1 1 144 144 GLU N N 15 121.52 0.5 . . . . . . . . . . 4848 1 1603 . 1 1 144 144 GLU HA H 1 4.45 0.05 . . . . . . . . . . 4848 1 1604 . 1 1 144 144 GLU CA C 13 56.15 0.5 . . . . . . . . . . 4848 1 1605 . 1 1 144 144 GLU HB2 H 1 2.01 0.05 . . . . . . . . . . 4848 1 1606 . 1 1 144 144 GLU HB3 H 1 2.01 0.05 . . . . . . . . . . 4848 1 1607 . 1 1 144 144 GLU CB C 13 30.51 0.5 . . . . . . . . . . 4848 1 1608 . 1 1 144 144 GLU HG2 H 1 2.29 0.05 . . . . . . . . . . 4848 1 1609 . 1 1 144 144 GLU HG3 H 1 2.29 0.05 . . . . . . . . . . 4848 1 1610 . 1 1 144 144 GLU CG C 13 36.22 0.5 . . . . . . . . . . 4848 1 1611 . 1 1 144 144 GLU C C 13 175.08 0.5 . . . . . . . . . . 4848 1 1612 . 1 1 145 145 GLN H H 1 8.21 0.05 . . . . . . . . . . 4848 1 1613 . 1 1 145 145 GLN N N 15 121.33 0.5 . . . . . . . . . . 4848 1 1614 . 1 1 145 145 GLN HA H 1 4.39 0.05 . . . . . . . . . . 4848 1 1615 . 1 1 145 145 GLN CA C 13 55.00 0.5 . . . . . . . . . . 4848 1 1616 . 1 1 145 145 GLN HB2 H 1 2.01 0.05 . . . . . . . . . . 4848 1 1617 . 1 1 145 145 GLN HB3 H 1 2.01 0.05 . . . . . . . . . . 4848 1 1618 . 1 1 145 145 GLN CB C 13 29.41 0.5 . . . . . . . . . . 4848 1 1619 . 1 1 145 145 GLN HG2 H 1 2.37 0.05 . . . . . . . . . . 4848 1 1620 . 1 1 145 145 GLN HG3 H 1 2.37 0.05 . . . . . . . . . . 4848 1 1621 . 1 1 145 145 GLN CG C 13 33.33 0.5 . . . . . . . . . . 4848 1 1622 . 1 1 145 145 GLN C C 13 175.87 0.5 . . . . . . . . . . 4848 1 1623 . 1 1 146 146 GLU H H 1 8.58 0.05 . . . . . . . . . . 4848 1 1624 . 1 1 146 146 GLU N N 15 125.45 0.5 . . . . . . . . . . 4848 1 1625 . 1 1 146 146 GLU HA H 1 5.32 0.05 . . . . . . . . . . 4848 1 1626 . 1 1 146 146 GLU CA C 13 57.43 0.5 . . . . . . . . . . 4848 1 1627 . 1 1 146 146 GLU HB2 H 1 2.10 0.05 . . . . . . . . . . 4848 1 1628 . 1 1 146 146 GLU HB3 H 1 2.10 0.05 . . . . . . . . . . 4848 1 1629 . 1 1 146 146 GLU CB C 13 28.88 0.5 . . . . . . . . . . 4848 1 1630 . 1 1 146 146 GLU HG2 H 1 2.30 0.05 . . . . . . . . . . 4848 1 1631 . 1 1 146 146 GLU HG3 H 1 2.36 0.05 . . . . . . . . . . 4848 1 1632 . 1 1 146 146 GLU CG C 13 35.60 0.5 . . . . . . . . . . 4848 1 1633 . 1 1 146 146 GLU C C 13 176.42 0.5 . . . . . . . . . . 4848 1 1634 . 1 1 147 147 ASN H H 1 4.00 0.05 . . . . . . . . . . 4848 1 1635 . 1 1 147 147 ASN N N 15 110.45 0.5 . . . . . . . . . . 4848 1 1636 . 1 1 147 147 ASN HA H 1 3.94 0.05 . . . . . . . . . . 4848 1 1637 . 1 1 147 147 ASN CA C 13 56.34 0.5 . . . . . . . . . . 4848 1 1638 . 1 1 147 147 ASN HB2 H 1 2.69 0.05 . . . . . . . . . . 4848 1 1639 . 1 1 147 147 ASN HB3 H 1 3.06 0.05 . . . . . . . . . . 4848 1 1640 . 1 1 147 147 ASN CB C 13 37.12 0.5 . . . . . . . . . . 4848 1 1641 . 1 1 147 147 ASN C C 13 172.55 0.5 . . . . . . . . . . 4848 1 1642 . 1 1 148 148 TYR H H 1 7.49 0.05 . . . . . . . . . . 4848 1 1643 . 1 1 148 148 TYR N N 15 119.43 0.5 . . . . . . . . . . 4848 1 1644 . 1 1 148 148 TYR HA H 1 4.31 0.05 . . . . . . . . . . 4848 1 1645 . 1 1 148 148 TYR CA C 13 56.84 0.5 . . . . . . . . . . 4848 1 1646 . 1 1 148 148 TYR HB2 H 1 2.73 0.05 . . . . . . . . . . 4848 1 1647 . 1 1 148 148 TYR HB3 H 1 2.73 0.05 . . . . . . . . . . 4848 1 1648 . 1 1 148 148 TYR CB C 13 40.09 0.5 . . . . . . . . . . 4848 1 1649 . 1 1 148 148 TYR C C 13 171.88 0.5 . . . . . . . . . . 4848 1 1650 . 1 1 150 150 PRO HA H 1 5.59 0.05 . . . . . . . . . . 4848 1 1651 . 1 1 150 150 PRO CA C 13 65.67 0.5 . . . . . . . . . . 4848 1 1652 . 1 1 150 150 PRO HB2 H 1 2.65 0.05 . . . . . . . . . . 4848 1 1653 . 1 1 150 150 PRO HB3 H 1 2.65 0.05 . . . . . . . . . . 4848 1 1654 . 1 1 150 150 PRO CB C 13 35.43 0.5 . . . . . . . . . . 4848 1 1655 . 1 1 150 150 PRO HG2 H 1 1.88 0.05 . . . . . . . . . . 4848 1 1656 . 1 1 150 150 PRO HG3 H 1 2.00 0.05 . . . . . . . . . . 4848 1 1657 . 1 1 150 150 PRO CG C 13 25.17 0.5 . . . . . . . . . . 4848 1 1658 . 1 1 150 150 PRO HD2 H 1 3.59 0.05 . . . . . . . . . . 4848 1 1659 . 1 1 150 150 PRO HD3 H 1 3.59 0.05 . . . . . . . . . . 4848 1 1660 . 1 1 150 150 PRO CD C 13 50.70 0.5 . . . . . . . . . . 4848 1 1661 . 1 1 151 151 LEU H H 1 8.18 0.05 . . . . . . . . . . 4848 1 1662 . 1 1 151 151 LEU N N 15 117.67 0.5 . . . . . . . . . . 4848 1 1663 . 1 1 151 151 LEU HA H 1 5.24 0.05 . . . . . . . . . . 4848 1 1664 . 1 1 151 151 LEU CA C 13 52.63 0.5 . . . . . . . . . . 4848 1 1665 . 1 1 151 151 LEU HB2 H 1 1.49 0.05 . . . . . . . . . . 4848 1 1666 . 1 1 151 151 LEU HB3 H 1 1.49 0.05 . . . . . . . . . . 4848 1 1667 . 1 1 151 151 LEU CB C 13 45.77 0.5 . . . . . . . . . . 4848 1 1668 . 1 1 151 151 LEU HG H 1 0.64 0.05 . . . . . . . . . . 4848 1 1669 . 1 1 151 151 LEU CG C 13 25.41 0.5 . . . . . . . . . . 4848 1 1670 . 1 1 151 151 LEU HD11 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1671 . 1 1 151 151 LEU HD12 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1672 . 1 1 151 151 LEU HD13 H 1 0.85 0.05 . . . . . . . . . . 4848 1 1673 . 1 1 151 151 LEU HD21 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1674 . 1 1 151 151 LEU HD22 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1675 . 1 1 151 151 LEU HD23 H 1 0.76 0.05 . . . . . . . . . . 4848 1 1676 . 1 1 151 151 LEU CD1 C 13 24.42 0.5 . . . . . . . . . . 4848 1 1677 . 1 1 151 151 LEU CD2 C 13 24.42 0.5 . . . . . . . . . . 4848 1 1678 . 1 1 151 151 LEU C C 13 174.46 0.5 . . . . . . . . . . 4848 1 1679 . 1 1 152 152 ARG H H 1 9.10 0.05 . . . . . . . . . . 4848 1 1680 . 1 1 152 152 ARG N N 15 121.06 0.5 . . . . . . . . . . 4848 1 1681 . 1 1 152 152 ARG HA H 1 4.50 0.05 . . . . . . . . . . 4848 1 1682 . 1 1 152 152 ARG CA C 13 54.59 0.5 . . . . . . . . . . 4848 1 1683 . 1 1 152 152 ARG HB2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1684 . 1 1 152 152 ARG HB3 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1685 . 1 1 152 152 ARG CB C 13 32.35 0.5 . . . . . . . . . . 4848 1 1686 . 1 1 152 152 ARG HG2 H 1 1.14 0.05 . . . . . . . . . . 4848 1 1687 . 1 1 152 152 ARG HG3 H 1 1.14 0.05 . . . . . . . . . . 4848 1 1688 . 1 1 152 152 ARG CG C 13 26.34 0.5 . . . . . . . . . . 4848 1 1689 . 1 1 152 152 ARG HD2 H 1 2.93 0.05 . . . . . . . . . . 4848 1 1690 . 1 1 152 152 ARG HD3 H 1 2.93 0.05 . . . . . . . . . . 4848 1 1691 . 1 1 152 152 ARG CD C 13 43.82 0.5 . . . . . . . . . . 4848 1 1692 . 1 1 152 152 ARG C C 13 174.77 0.5 . . . . . . . . . . 4848 1 1693 . 1 1 153 153 LEU N N 15 130.96 0.5 . . . . . . . . . . 4848 1 1694 . 1 1 153 153 LEU HA H 1 4.59 0.05 . . . . . . . . . . 4848 1 1695 . 1 1 153 153 LEU CA C 13 53.82 0.5 . . . . . . . . . . 4848 1 1696 . 1 1 153 153 LEU HB2 H 1 1.84 0.05 . . . . . . . . . . 4848 1 1697 . 1 1 153 153 LEU HB3 H 1 1.84 0.05 . . . . . . . . . . 4848 1 1698 . 1 1 153 153 LEU CB C 13 41.32 0.5 . . . . . . . . . . 4848 1 1699 . 1 1 153 153 LEU HG H 1 1.18 0.05 . . . . . . . . . . 4848 1 1700 . 1 1 153 153 LEU CG C 13 26.56 0.5 . . . . . . . . . . 4848 1 1701 . 1 1 153 153 LEU HD11 H 1 0.82 0.05 . . . . . . . . . . 4848 1 1702 . 1 1 153 153 LEU HD12 H 1 0.82 0.05 . . . . . . . . . . 4848 1 1703 . 1 1 153 153 LEU HD13 H 1 0.82 0.05 . . . . . . . . . . 4848 1 1704 . 1 1 153 153 LEU HD21 H 1 0.90 0.05 . . . . . . . . . . 4848 1 1705 . 1 1 153 153 LEU HD22 H 1 0.90 0.05 . . . . . . . . . . 4848 1 1706 . 1 1 153 153 LEU HD23 H 1 0.90 0.05 . . . . . . . . . . 4848 1 1707 . 1 1 153 153 LEU CD1 C 13 22.55 0.5 . . . . . . . . . . 4848 1 1708 . 1 1 153 153 LEU CD2 C 13 24.59 0.5 . . . . . . . . . . 4848 1 1709 . 1 1 153 153 LEU C C 13 176.51 0.5 . . . . . . . . . . 4848 1 1710 . 1 1 154 154 GLN H H 1 8.38 0.05 . . . . . . . . . . 4848 1 1711 . 1 1 154 154 GLN N N 15 118.55 0.5 . . . . . . . . . . 4848 1 1712 . 1 1 154 154 GLN HA H 1 4.56 0.05 . . . . . . . . . . 4848 1 1713 . 1 1 154 154 GLN CA C 13 54.00 0.5 . . . . . . . . . . 4848 1 1714 . 1 1 154 154 GLN HB2 H 1 1.73 0.05 . . . . . . . . . . 4848 1 1715 . 1 1 154 154 GLN HB3 H 1 1.78 0.05 . . . . . . . . . . 4848 1 1716 . 1 1 154 154 GLN CB C 13 31.47 0.5 . . . . . . . . . . 4848 1 1717 . 1 1 154 154 GLN HG2 H 1 2.28 0.05 . . . . . . . . . . 4848 1 1718 . 1 1 154 154 GLN HG3 H 1 2.28 0.05 . . . . . . . . . . 4848 1 1719 . 1 1 154 154 GLN CG C 13 36.36 0.5 . . . . . . . . . . 4848 1 1720 . 1 1 154 154 GLN C C 13 176.70 0.5 . . . . . . . . . . 4848 1 1721 . 1 1 155 155 GLY H H 1 7.99 0.05 . . . . . . . . . . 4848 1 1722 . 1 1 155 155 GLY N N 15 106.93 0.5 . . . . . . . . . . 4848 1 1723 . 1 1 155 155 GLY HA2 H 1 3.67 0.05 . . . . . . . . . . 4848 1 1724 . 1 1 155 155 GLY HA3 H 1 4.57 0.05 . . . . . . . . . . 4848 1 1725 . 1 1 155 155 GLY CA C 13 45.19 0.5 . . . . . . . . . . 4848 1 1726 . 1 1 155 155 GLY C C 13 174.57 0.5 . . . . . . . . . . 4848 1 1727 . 1 1 156 156 GLY H H 1 8.08 0.05 . . . . . . . . . . 4848 1 1728 . 1 1 156 156 GLY N N 15 104.54 0.5 . . . . . . . . . . 4848 1 1729 . 1 1 156 156 GLY HA2 H 1 4.50 0.05 . . . . . . . . . . 4848 1 1730 . 1 1 156 156 GLY HA3 H 1 3.68 0.05 . . . . . . . . . . 4848 1 1731 . 1 1 156 156 GLY CA C 13 45.07 0.5 . . . . . . . . . . 4848 1 1732 . 1 1 156 156 GLY C C 13 174.90 0.5 . . . . . . . . . . 4848 1 1733 . 1 1 157 157 PHE H H 1 8.68 0.05 . . . . . . . . . . 4848 1 1734 . 1 1 157 157 PHE N N 15 119.51 0.5 . . . . . . . . . . 4848 1 1735 . 1 1 157 157 PHE HA H 1 4.04 0.05 . . . . . . . . . . 4848 1 1736 . 1 1 157 157 PHE CA C 13 60.02 0.5 . . . . . . . . . . 4848 1 1737 . 1 1 157 157 PHE HB2 H 1 2.51 0.05 . . . . . . . . . . 4848 1 1738 . 1 1 157 157 PHE HB3 H 1 2.88 0.05 . . . . . . . . . . 4848 1 1739 . 1 1 157 157 PHE CB C 13 38.68 0.5 . . . . . . . . . . 4848 1 1740 . 1 1 157 157 PHE C C 13 174.99 0.5 . . . . . . . . . . 4848 1 1741 . 1 1 158 158 THR H H 1 8.68 0.05 . . . . . . . . . . 4848 1 1742 . 1 1 158 158 THR N N 15 122.91 0.5 . . . . . . . . . . 4848 1 1743 . 1 1 158 158 THR HA H 1 4.38 0.05 . . . . . . . . . . 4848 1 1744 . 1 1 158 158 THR CA C 13 62.50 0.5 . . . . . . . . . . 4848 1 1745 . 1 1 158 158 THR HB H 1 4.13 0.05 . . . . . . . . . . 4848 1 1746 . 1 1 158 158 THR CB C 13 70.26 0.5 . . . . . . . . . . 4848 1 1747 . 1 1 158 158 THR HG21 H 1 1.05 0.05 . . . . . . . . . . 4848 1 1748 . 1 1 158 158 THR HG22 H 1 1.05 0.05 . . . . . . . . . . 4848 1 1749 . 1 1 158 158 THR HG23 H 1 1.05 0.05 . . . . . . . . . . 4848 1 1750 . 1 1 158 158 THR CG2 C 13 20.90 0.5 . . . . . . . . . . 4848 1 1751 . 1 1 158 158 THR C C 13 171.75 0.5 . . . . . . . . . . 4848 1 1752 . 1 1 159 159 GLY H H 1 6.34 0.05 . . . . . . . . . . 4848 1 1753 . 1 1 159 159 GLY N N 15 106.68 0.5 . . . . . . . . . . 4848 1 1754 . 1 1 159 159 GLY HA2 H 1 4.17 0.05 . . . . . . . . . . 4848 1 1755 . 1 1 159 159 GLY HA3 H 1 3.24 0.05 . . . . . . . . . . 4848 1 1756 . 1 1 159 159 GLY CA C 13 43.59 0.5 . . . . . . . . . . 4848 1 1757 . 1 1 159 159 GLY C C 13 172.89 0.5 . . . . . . . . . . 4848 1 1758 . 1 1 160 160 GLY H H 1 8.28 0.05 . . . . . . . . . . 4848 1 1759 . 1 1 160 160 GLY N N 15 107.80 0.5 . . . . . . . . . . 4848 1 1760 . 1 1 160 160 GLY HA2 H 1 3.61 0.05 . . . . . . . . . . 4848 1 1761 . 1 1 160 160 GLY HA3 H 1 4.35 0.05 . . . . . . . . . . 4848 1 1762 . 1 1 160 160 GLY CA C 13 43.76 0.5 . . . . . . . . . . 4848 1 1763 . 1 1 160 160 GLY C C 13 172.88 0.5 . . . . . . . . . . 4848 1 1764 . 1 1 161 161 ASN H H 1 8.48 0.05 . . . . . . . . . . 4848 1 1765 . 1 1 161 161 ASN N N 15 120.68 0.5 . . . . . . . . . . 4848 1 1766 . 1 1 161 161 ASN HA H 1 5.22 0.05 . . . . . . . . . . 4848 1 1767 . 1 1 161 161 ASN CA C 13 52.90 0.5 . . . . . . . . . . 4848 1 1768 . 1 1 161 161 ASN HB2 H 1 2.60 0.05 . . . . . . . . . . 4848 1 1769 . 1 1 161 161 ASN HB3 H 1 2.70 0.05 . . . . . . . . . . 4848 1 1770 . 1 1 161 161 ASN CB C 13 38.39 0.5 . . . . . . . . . . 4848 1 1771 . 1 1 161 161 ASN C C 13 174.39 0.5 . . . . . . . . . . 4848 1 1772 . 1 1 162 162 VAL H H 1 8.88 0.05 . . . . . . . . . . 4848 1 1773 . 1 1 162 162 VAL N N 15 122.92 0.5 . . . . . . . . . . 4848 1 1774 . 1 1 162 162 VAL HA H 1 4.19 0.05 . . . . . . . . . . 4848 1 1775 . 1 1 162 162 VAL CA C 13 60.68 0.5 . . . . . . . . . . 4848 1 1776 . 1 1 162 162 VAL HB H 1 1.93 0.05 . . . . . . . . . . 4848 1 1777 . 1 1 162 162 VAL CB C 13 35.07 0.5 . . . . . . . . . . 4848 1 1778 . 1 1 162 162 VAL HG11 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1779 . 1 1 162 162 VAL HG12 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1780 . 1 1 162 162 VAL HG13 H 1 0.88 0.05 . . . . . . . . . . 4848 1 1781 . 1 1 162 162 VAL HG21 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1782 . 1 1 162 162 VAL HG22 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1783 . 1 1 162 162 VAL HG23 H 1 0.73 0.05 . . . . . . . . . . 4848 1 1784 . 1 1 162 162 VAL CG1 C 13 19.98 0.5 . . . . . . . . . . 4848 1 1785 . 1 1 162 162 VAL CG2 C 13 21.75 0.5 . . . . . . . . . . 4848 1 1786 . 1 1 162 162 VAL C C 13 173.26 0.5 . . . . . . . . . . 4848 1 1787 . 1 1 163 163 ASP H H 1 6.55 0.05 . . . . . . . . . . 4848 1 1788 . 1 1 163 163 ASP N N 15 124.93 0.5 . . . . . . . . . . 4848 1 1789 . 1 1 163 163 ASP HA H 1 5.79 0.05 . . . . . . . . . . 4848 1 1790 . 1 1 163 163 ASP CA C 13 52.54 0.5 . . . . . . . . . . 4848 1 1791 . 1 1 163 163 ASP HB2 H 1 2.33 0.05 . . . . . . . . . . 4848 1 1792 . 1 1 163 163 ASP HB3 H 1 2.35 0.05 . . . . . . . . . . 4848 1 1793 . 1 1 163 163 ASP CB C 13 42.92 0.5 . . . . . . . . . . 4848 1 1794 . 1 1 163 163 ASP C C 13 175.51 0.5 . . . . . . . . . . 4848 1 1795 . 1 1 164 164 VAL H H 1 8.77 0.05 . . . . . . . . . . 4848 1 1796 . 1 1 164 164 VAL N N 15 118.25 0.5 . . . . . . . . . . 4848 1 1797 . 1 1 164 164 VAL HA H 1 4.61 0.05 . . . . . . . . . . 4848 1 1798 . 1 1 164 164 VAL CA C 13 58.91 0.5 . . . . . . . . . . 4848 1 1799 . 1 1 164 164 VAL HB H 1 1.67 0.05 . . . . . . . . . . 4848 1 1800 . 1 1 164 164 VAL CB C 13 35.22 0.5 . . . . . . . . . . 4848 1 1801 . 1 1 164 164 VAL HG11 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1802 . 1 1 164 164 VAL HG12 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1803 . 1 1 164 164 VAL HG13 H 1 0.78 0.05 . . . . . . . . . . 4848 1 1804 . 1 1 164 164 VAL HG21 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1805 . 1 1 164 164 VAL HG22 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1806 . 1 1 164 164 VAL HG23 H 1 0.70 0.05 . . . . . . . . . . 4848 1 1807 . 1 1 164 164 VAL CG1 C 13 20.89 0.5 . . . . . . . . . . 4848 1 1808 . 1 1 164 164 VAL CG2 C 13 20.39 0.5 . . . . . . . . . . 4848 1 1809 . 1 1 164 164 VAL C C 13 172.90 0.5 . . . . . . . . . . 4848 1 1810 . 1 1 165 165 ASP H H 1 8.88 0.05 . . . . . . . . . . 4848 1 1811 . 1 1 165 165 ASP N N 15 128.35 0.5 . . . . . . . . . . 4848 1 1812 . 1 1 165 165 ASP HA H 1 4.66 0.05 . . . . . . . . . . 4848 1 1813 . 1 1 165 165 ASP CA C 13 54.30 0.5 . . . . . . . . . . 4848 1 1814 . 1 1 165 165 ASP HB2 H 1 1.99 0.05 . . . . . . . . . . 4848 1 1815 . 1 1 165 165 ASP HB3 H 1 2.28 0.05 . . . . . . . . . . 4848 1 1816 . 1 1 165 165 ASP CB C 13 40.81 0.5 . . . . . . . . . . 4848 1 1817 . 1 1 165 165 ASP C C 13 177.37 0.5 . . . . . . . . . . 4848 1 1818 . 1 1 166 166 GLY H H 1 9.32 0.05 . . . . . . . . . . 4848 1 1819 . 1 1 166 166 GLY N N 15 116.98 0.5 . . . . . . . . . . 4848 1 1820 . 1 1 166 166 GLY HA2 H 1 3.48 0.05 . . . . . . . . . . 4848 1 1821 . 1 1 166 166 GLY HA3 H 1 4.54 0.05 . . . . . . . . . . 4848 1 1822 . 1 1 166 166 GLY CA C 13 45.53 0.5 . . . . . . . . . . 4848 1 1823 . 1 1 167 167 SER H H 1 8.86 0.05 . . . . . . . . . . 4848 1 1824 . 1 1 167 167 SER N N 15 114.21 0.5 . . . . . . . . . . 4848 1 1825 . 1 1 167 167 SER HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 1826 . 1 1 167 167 SER CA C 13 60.47 0.5 . . . . . . . . . . 4848 1 1827 . 1 1 167 167 SER HB2 H 1 3.85 0.05 . . . . . . . . . . 4848 1 1828 . 1 1 167 167 SER HB3 H 1 3.85 0.05 . . . . . . . . . . 4848 1 1829 . 1 1 167 167 SER CB C 13 64.10 0.5 . . . . . . . . . . 4848 1 1830 . 1 1 168 168 VAL H H 1 8.51 0.05 . . . . . . . . . . 4848 1 1831 . 1 1 168 168 VAL N N 15 122.58 0.5 . . . . . . . . . . 4848 1 1832 . 1 1 168 168 VAL HA H 1 4.19 0.05 . . . . . . . . . . 4848 1 1833 . 1 1 168 168 VAL CA C 13 61.65 0.5 . . . . . . . . . . 4848 1 1834 . 1 1 168 168 VAL HB H 1 2.07 0.05 . . . . . . . . . . 4848 1 1835 . 1 1 168 168 VAL CB C 13 34.46 0.5 . . . . . . . . . . 4848 1 1836 . 1 1 168 168 VAL HG11 H 1 0.94 0.05 . . . . . . . . . . 4848 1 1837 . 1 1 168 168 VAL HG12 H 1 0.94 0.05 . . . . . . . . . . 4848 1 1838 . 1 1 168 168 VAL HG13 H 1 0.94 0.05 . . . . . . . . . . 4848 1 1839 . 1 1 168 168 VAL HG21 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1840 . 1 1 168 168 VAL HG22 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1841 . 1 1 168 168 VAL HG23 H 1 1.03 0.05 . . . . . . . . . . 4848 1 1842 . 1 1 168 168 VAL CG1 C 13 20.55 0.5 . . . . . . . . . . 4848 1 1843 . 1 1 168 168 VAL CG2 C 13 21.69 0.5 . . . . . . . . . . 4848 1 1844 . 1 1 168 168 VAL C C 13 173.94 0.5 . . . . . . . . . . 4848 1 1845 . 1 1 169 169 SER H H 1 8.19 0.05 . . . . . . . . . . 4848 1 1846 . 1 1 169 169 SER N N 15 112.97 0.5 . . . . . . . . . . 4848 1 1847 . 1 1 169 169 SER HA H 1 4.47 0.05 . . . . . . . . . . 4848 1 1848 . 1 1 169 169 SER CA C 13 56.84 0.5 . . . . . . . . . . 4848 1 1849 . 1 1 169 169 SER HB2 H 1 3.64 0.05 . . . . . . . . . . 4848 1 1850 . 1 1 169 169 SER HB3 H 1 3.85 0.05 . . . . . . . . . . 4848 1 1851 . 1 1 169 169 SER CB C 13 64.49 0.5 . . . . . . . . . . 4848 1 1852 . 1 1 170 170 SER HA H 1 4.48 0.05 . . . . . . . . . . 4848 1 1853 . 1 1 170 170 SER HB2 H 1 4.00 0.05 . . . . . . . . . . 4848 1 1854 . 1 1 170 170 SER HB3 H 1 4.00 0.05 . . . . . . . . . . 4848 1 1855 . 1 1 171 171 GLN HB2 H 1 1.13 0.05 . . . . . . . . . . 4848 1 1856 . 1 1 171 171 GLN HB3 H 1 1.13 0.05 . . . . . . . . . . 4848 1 1857 . 1 1 171 171 GLN HG2 H 1 2.67 0.05 . . . . . . . . . . 4848 1 1858 . 1 1 171 171 GLN HG3 H 1 2.67 0.05 . . . . . . . . . . 4848 1 1859 . 1 1 173 173 LEU H H 1 7.87 0.05 . . . . . . . . . . 4848 1 1860 . 1 1 173 173 LEU N N 15 121.03 0.5 . . . . . . . . . . 4848 1 1861 . 1 1 173 173 LEU HA H 1 3.83 0.05 . . . . . . . . . . 4848 1 1862 . 1 1 173 173 LEU CA C 13 57.78 0.5 . . . . . . . . . . 4848 1 1863 . 1 1 173 173 LEU HB2 H 1 1.71 0.05 . . . . . . . . . . 4848 1 1864 . 1 1 173 173 LEU HB3 H 1 1.71 0.05 . . . . . . . . . . 4848 1 1865 . 1 1 173 173 LEU CB C 13 40.14 0.5 . . . . . . . . . . 4848 1 1866 . 1 1 173 173 LEU HG H 1 1.39 0.05 . . . . . . . . . . 4848 1 1867 . 1 1 173 173 LEU CG C 13 26.60 0.5 . . . . . . . . . . 4848 1 1868 . 1 1 173 173 LEU HD11 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1869 . 1 1 173 173 LEU HD12 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1870 . 1 1 173 173 LEU HD13 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1871 . 1 1 173 173 LEU HD21 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1872 . 1 1 173 173 LEU HD22 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1873 . 1 1 173 173 LEU HD23 H 1 0.61 0.05 . . . . . . . . . . 4848 1 1874 . 1 1 173 173 LEU CD1 C 13 22.53 0.5 . . . . . . . . . . 4848 1 1875 . 1 1 173 173 LEU CD2 C 13 22.53 0.5 . . . . . . . . . . 4848 1 1876 . 1 1 174 174 THR H H 1 8.49 0.05 . . . . . . . . . . 4848 1 1877 . 1 1 174 174 THR N N 15 112.63 0.5 . . . . . . . . . . 4848 1 1878 . 1 1 174 174 THR HA H 1 3.67 0.05 . . . . . . . . . . 4848 1 1879 . 1 1 174 174 THR CA C 13 67.03 0.5 . . . . . . . . . . 4848 1 1880 . 1 1 174 174 THR HB H 1 3.68 0.05 . . . . . . . . . . 4848 1 1881 . 1 1 174 174 THR CB C 13 68.56 0.5 . . . . . . . . . . 4848 1 1882 . 1 1 174 174 THR HG21 H 1 1.20 0.05 . . . . . . . . . . 4848 1 1883 . 1 1 174 174 THR HG22 H 1 1.20 0.05 . . . . . . . . . . 4848 1 1884 . 1 1 174 174 THR HG23 H 1 1.20 0.05 . . . . . . . . . . 4848 1 1885 . 1 1 174 174 THR CG2 C 13 22.94 0.5 . . . . . . . . . . 4848 1 1886 . 1 1 174 174 THR C C 13 175.28 0.5 . . . . . . . . . . 4848 1 1887 . 1 1 175 175 ALA H H 1 7.11 0.05 . . . . . . . . . . 4848 1 1888 . 1 1 175 175 ALA N N 15 121.32 0.5 . . . . . . . . . . 4848 1 1889 . 1 1 175 175 ALA HA H 1 4.78 0.05 . . . . . . . . . . 4848 1 1890 . 1 1 175 175 ALA CA C 13 54.80 0.5 . . . . . . . . . . 4848 1 1891 . 1 1 175 175 ALA HB1 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1892 . 1 1 175 175 ALA HB2 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1893 . 1 1 175 175 ALA HB3 H 1 1.47 0.05 . . . . . . . . . . 4848 1 1894 . 1 1 175 175 ALA CB C 13 17.87 0.5 . . . . . . . . . . 4848 1 1895 . 1 1 175 175 ALA C C 13 179.30 0.5 . . . . . . . . . . 4848 1 1896 . 1 1 176 176 LEU H H 1 7.40 0.05 . . . . . . . . . . 4848 1 1897 . 1 1 176 176 LEU N N 15 117.84 0.5 . . . . . . . . . . 4848 1 1898 . 1 1 176 176 LEU HA H 1 3.57 0.05 . . . . . . . . . . 4848 1 1899 . 1 1 176 176 LEU CA C 13 57.47 0.5 . . . . . . . . . . 4848 1 1900 . 1 1 176 176 LEU HB2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1901 . 1 1 176 176 LEU HB3 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1902 . 1 1 176 176 LEU CB C 13 42.46 0.5 . . . . . . . . . . 4848 1 1903 . 1 1 176 176 LEU HG H 1 1.52 0.05 . . . . . . . . . . 4848 1 1904 . 1 1 176 176 LEU CG C 13 26.28 0.5 . . . . . . . . . . 4848 1 1905 . 1 1 176 176 LEU HD11 H 1 0.62 0.05 . . . . . . . . . . 4848 1 1906 . 1 1 176 176 LEU HD12 H 1 0.62 0.05 . . . . . . . . . . 4848 1 1907 . 1 1 176 176 LEU HD13 H 1 0.62 0.05 . . . . . . . . . . 4848 1 1908 . 1 1 176 176 LEU HD21 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1909 . 1 1 176 176 LEU HD22 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1910 . 1 1 176 176 LEU HD23 H 1 0.63 0.05 . . . . . . . . . . 4848 1 1911 . 1 1 176 176 LEU CD1 C 13 21.86 0.5 . . . . . . . . . . 4848 1 1912 . 1 1 176 176 LEU CD2 C 13 21.86 0.5 . . . . . . . . . . 4848 1 1913 . 1 1 176 176 LEU C C 13 178.17 0.5 . . . . . . . . . . 4848 1 1914 . 1 1 177 177 LEU H H 1 8.60 0.05 . . . . . . . . . . 4848 1 1915 . 1 1 177 177 LEU N N 15 118.23 0.5 . . . . . . . . . . 4848 1 1916 . 1 1 177 177 LEU HA H 1 3.67 0.05 . . . . . . . . . . 4848 1 1917 . 1 1 177 177 LEU CA C 13 57.76 0.5 . . . . . . . . . . 4848 1 1918 . 1 1 177 177 LEU HB2 H 1 0.94 0.05 . . . . . . . . . . 4848 1 1919 . 1 1 177 177 LEU HB3 H 1 1.76 0.05 . . . . . . . . . . 4848 1 1920 . 1 1 177 177 LEU CB C 13 41.27 0.5 . . . . . . . . . . 4848 1 1921 . 1 1 177 177 LEU HG H 1 1.34 0.05 . . . . . . . . . . 4848 1 1922 . 1 1 177 177 LEU CG C 13 25.91 0.5 . . . . . . . . . . 4848 1 1923 . 1 1 177 177 LEU HD11 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1924 . 1 1 177 177 LEU HD12 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1925 . 1 1 177 177 LEU HD13 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1926 . 1 1 177 177 LEU HD21 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1927 . 1 1 177 177 LEU HD22 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1928 . 1 1 177 177 LEU HD23 H 1 0.23 0.05 . . . . . . . . . . 4848 1 1929 . 1 1 177 177 LEU CD1 C 13 22.28 0.5 . . . . . . . . . . 4848 1 1930 . 1 1 177 177 LEU CD2 C 13 24.67 0.5 . . . . . . . . . . 4848 1 1931 . 1 1 177 177 LEU C C 13 175.85 0.5 . . . . . . . . . . 4848 1 1932 . 1 1 178 178 MET H H 1 7.02 0.05 . . . . . . . . . . 4848 1 1933 . 1 1 178 178 MET N N 15 108.07 0.5 . . . . . . . . . . 4848 1 1934 . 1 1 178 178 MET HA H 1 4.15 0.05 . . . . . . . . . . 4848 1 1935 . 1 1 178 178 MET CA C 13 57.64 0.5 . . . . . . . . . . 4848 1 1936 . 1 1 178 178 MET HB2 H 1 2.12 0.05 . . . . . . . . . . 4848 1 1937 . 1 1 178 178 MET HB3 H 1 2.12 0.05 . . . . . . . . . . 4848 1 1938 . 1 1 178 178 MET CB C 13 33.81 0.5 . . . . . . . . . . 4848 1 1939 . 1 1 178 178 MET HG2 H 1 2.78 0.05 . . . . . . . . . . 4848 1 1940 . 1 1 178 178 MET HG3 H 1 2.78 0.05 . . . . . . . . . . 4848 1 1941 . 1 1 178 178 MET CG C 13 31.82 0.5 . . . . . . . . . . 4848 1 1942 . 1 1 178 178 MET HE1 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1943 . 1 1 178 178 MET HE2 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1944 . 1 1 178 178 MET HE3 H 1 1.80 0.05 . . . . . . . . . . 4848 1 1945 . 1 1 178 178 MET CE C 13 15.65 0.5 . . . . . . . . . . 4848 1 1946 . 1 1 178 178 MET C C 13 178.92 0.5 . . . . . . . . . . 4848 1 1947 . 1 1 179 179 THR H H 1 6.92 0.05 . . . . . . . . . . 4848 1 1948 . 1 1 179 179 THR N N 15 114.57 0.5 . . . . . . . . . . 4848 1 1949 . 1 1 179 179 THR HA H 1 3.81 0.05 . . . . . . . . . . 4848 1 1950 . 1 1 179 179 THR CA C 13 66.28 0.5 . . . . . . . . . . 4848 1 1951 . 1 1 179 179 THR HB H 1 3.64 0.05 . . . . . . . . . . 4848 1 1952 . 1 1 179 179 THR CB C 13 69.34 0.5 . . . . . . . . . . 4848 1 1953 . 1 1 179 179 THR HG21 H 1 0.59 0.05 . . . . . . . . . . 4848 1 1954 . 1 1 179 179 THR HG22 H 1 0.59 0.05 . . . . . . . . . . 4848 1 1955 . 1 1 179 179 THR HG23 H 1 0.59 0.05 . . . . . . . . . . 4848 1 1956 . 1 1 179 179 THR CG2 C 13 19.63 0.5 . . . . . . . . . . 4848 1 1957 . 1 1 179 179 THR C C 13 174.10 0.5 . . . . . . . . . . 4848 1 1958 . 1 1 180 180 ALA H H 1 7.82 0.05 . . . . . . . . . . 4848 1 1959 . 1 1 180 180 ALA N N 15 119.99 0.5 . . . . . . . . . . 4848 1 1960 . 1 1 180 180 ALA HA H 1 3.98 0.05 . . . . . . . . . . 4848 1 1961 . 1 1 180 180 ALA CA C 13 56.63 0.5 . . . . . . . . . . 4848 1 1962 . 1 1 180 180 ALA HB1 H 1 1.36 0.05 . . . . . . . . . . 4848 1 1963 . 1 1 180 180 ALA HB2 H 1 1.36 0.05 . . . . . . . . . . 4848 1 1964 . 1 1 180 180 ALA HB3 H 1 1.36 0.05 . . . . . . . . . . 4848 1 1965 . 1 1 180 180 ALA CB C 13 15.85 0.5 . . . . . . . . . . 4848 1 1966 . 1 1 180 180 ALA C C 13 175.07 0.5 . . . . . . . . . . 4848 1 1967 . 1 1 181 181 PRO HA H 1 4.38 0.05 . . . . . . . . . . 4848 1 1968 . 1 1 181 181 PRO CA C 13 65.49 0.5 . . . . . . . . . . 4848 1 1969 . 1 1 181 181 PRO HB2 H 1 1.95 0.05 . . . . . . . . . . 4848 1 1970 . 1 1 181 181 PRO HB3 H 1 1.95 0.05 . . . . . . . . . . 4848 1 1971 . 1 1 181 181 PRO CB C 13 29.89 0.5 . . . . . . . . . . 4848 1 1972 . 1 1 181 181 PRO HG2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1973 . 1 1 181 181 PRO HG3 H 1 1.53 0.05 . . . . . . . . . . 4848 1 1974 . 1 1 181 181 PRO CG C 13 28.40 0.5 . . . . . . . . . . 4848 1 1975 . 1 1 181 181 PRO HD2 H 1 3.21 0.05 . . . . . . . . . . 4848 1 1976 . 1 1 181 181 PRO HD3 H 1 3.21 0.05 . . . . . . . . . . 4848 1 1977 . 1 1 181 181 PRO CD C 13 50.43 0.5 . . . . . . . . . . 4848 1 1978 . 1 1 182 182 LEU H H 1 7.06 0.05 . . . . . . . . . . 4848 1 1979 . 1 1 182 182 LEU N N 15 110.06 0.5 . . . . . . . . . . 4848 1 1980 . 1 1 182 182 LEU HA H 1 4.30 0.05 . . . . . . . . . . 4848 1 1981 . 1 1 182 182 LEU CA C 13 54.09 0.5 . . . . . . . . . . 4848 1 1982 . 1 1 182 182 LEU HB2 H 1 1.76 0.05 . . . . . . . . . . 4848 1 1983 . 1 1 182 182 LEU HB3 H 1 1.76 0.05 . . . . . . . . . . 4848 1 1984 . 1 1 182 182 LEU CB C 13 42.24 0.5 . . . . . . . . . . 4848 1 1985 . 1 1 182 182 LEU HG H 1 0.75 0.05 . . . . . . . . . . 4848 1 1986 . 1 1 182 182 LEU CG C 13 25.78 0.5 . . . . . . . . . . 4848 1 1987 . 1 1 182 182 LEU HD11 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1988 . 1 1 182 182 LEU HD12 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1989 . 1 1 182 182 LEU HD13 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1990 . 1 1 182 182 LEU HD21 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1991 . 1 1 182 182 LEU HD22 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1992 . 1 1 182 182 LEU HD23 H 1 0.79 0.05 . . . . . . . . . . 4848 1 1993 . 1 1 182 182 LEU CD1 C 13 23.74 0.5 . . . . . . . . . . 4848 1 1994 . 1 1 182 182 LEU CD2 C 13 23.74 0.5 . . . . . . . . . . 4848 1 1995 . 1 1 182 182 LEU C C 13 178.47 0.5 . . . . . . . . . . 4848 1 1996 . 1 1 183 183 ALA H H 1 8.01 0.05 . . . . . . . . . . 4848 1 1997 . 1 1 183 183 ALA N N 15 125.05 0.5 . . . . . . . . . . 4848 1 1998 . 1 1 183 183 ALA HA H 1 4.27 0.05 . . . . . . . . . . 4848 1 1999 . 1 1 183 183 ALA CA C 13 50.37 0.5 . . . . . . . . . . 4848 1 2000 . 1 1 183 183 ALA HB1 H 1 1.53 0.05 . . . . . . . . . . 4848 1 2001 . 1 1 183 183 ALA HB2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 2002 . 1 1 183 183 ALA HB3 H 1 1.53 0.05 . . . . . . . . . . 4848 1 2003 . 1 1 183 183 ALA CB C 13 17.37 0.5 . . . . . . . . . . 4848 1 2004 . 1 1 183 183 ALA C C 13 174.77 0.5 . . . . . . . . . . 4848 1 2005 . 1 1 184 184 PRO HA H 1 4.32 0.05 . . . . . . . . . . 4848 1 2006 . 1 1 184 184 PRO CA C 13 64.42 0.5 . . . . . . . . . . 4848 1 2007 . 1 1 184 184 PRO HB2 H 1 2.05 0.05 . . . . . . . . . . 4848 1 2008 . 1 1 184 184 PRO HB3 H 1 2.05 0.05 . . . . . . . . . . 4848 1 2009 . 1 1 184 184 PRO CB C 13 31.82 0.5 . . . . . . . . . . 4848 1 2010 . 1 1 184 184 PRO HG2 H 1 2.22 0.05 . . . . . . . . . . 4848 1 2011 . 1 1 184 184 PRO HG3 H 1 2.22 0.05 . . . . . . . . . . 4848 1 2012 . 1 1 184 184 PRO CG C 13 27.26 0.5 . . . . . . . . . . 4848 1 2013 . 1 1 184 184 PRO HD2 H 1 3.98 0.05 . . . . . . . . . . 4848 1 2014 . 1 1 184 184 PRO HD3 H 1 3.98 0.05 . . . . . . . . . . 4848 1 2015 . 1 1 184 184 PRO CD C 13 49.41 0.5 . . . . . . . . . . 4848 1 2016 . 1 1 185 185 GLU H H 1 7.77 0.05 . . . . . . . . . . 4848 1 2017 . 1 1 185 185 GLU N N 15 116.14 0.5 . . . . . . . . . . 4848 1 2018 . 1 1 185 185 GLU HA H 1 4.58 0.05 . . . . . . . . . . 4848 1 2019 . 1 1 185 185 GLU CA C 13 53.44 0.5 . . . . . . . . . . 4848 1 2020 . 1 1 185 185 GLU HB2 H 1 2.08 0.05 . . . . . . . . . . 4848 1 2021 . 1 1 185 185 GLU HB3 H 1 2.13 0.05 . . . . . . . . . . 4848 1 2022 . 1 1 185 185 GLU CB C 13 30.48 0.5 . . . . . . . . . . 4848 1 2023 . 1 1 185 185 GLU HG2 H 1 2.27 0.05 . . . . . . . . . . 4848 1 2024 . 1 1 185 185 GLU HG3 H 1 2.30 0.05 . . . . . . . . . . 4848 1 2025 . 1 1 185 185 GLU CG C 13 36.22 0.5 . . . . . . . . . . 4848 1 2026 . 1 1 185 185 GLU C C 13 174.70 0.5 . . . . . . . . . . 4848 1 2027 . 1 1 186 186 ASP H H 1 8.30 0.05 . . . . . . . . . . 4848 1 2028 . 1 1 186 186 ASP N N 15 119.69 0.5 . . . . . . . . . . 4848 1 2029 . 1 1 186 186 ASP HA H 1 4.55 0.05 . . . . . . . . . . 4848 1 2030 . 1 1 186 186 ASP CA C 13 54.60 0.5 . . . . . . . . . . 4848 1 2031 . 1 1 186 186 ASP HB2 H 1 2.45 0.05 . . . . . . . . . . 4848 1 2032 . 1 1 186 186 ASP HB3 H 1 2.52 0.05 . . . . . . . . . . 4848 1 2033 . 1 1 186 186 ASP CB C 13 40.22 0.5 . . . . . . . . . . 4848 1 2034 . 1 1 186 186 ASP C C 13 176.98 0.5 . . . . . . . . . . 4848 1 2035 . 1 1 187 187 THR H H 1 8.93 0.05 . . . . . . . . . . 4848 1 2036 . 1 1 187 187 THR N N 15 120.99 0.5 . . . . . . . . . . 4848 1 2037 . 1 1 187 187 THR HA H 1 5.20 0.05 . . . . . . . . . . 4848 1 2038 . 1 1 187 187 THR CA C 13 62.39 0.5 . . . . . . . . . . 4848 1 2039 . 1 1 187 187 THR HB H 1 3.69 0.05 . . . . . . . . . . 4848 1 2040 . 1 1 187 187 THR CB C 13 69.99 0.5 . . . . . . . . . . 4848 1 2041 . 1 1 187 187 THR HG21 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2042 . 1 1 187 187 THR HG22 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2043 . 1 1 187 187 THR HG23 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2044 . 1 1 187 187 THR CG2 C 13 21.70 0.5 . . . . . . . . . . 4848 1 2045 . 1 1 187 187 THR C C 13 173.21 0.5 . . . . . . . . . . 4848 1 2046 . 1 1 188 188 VAL H H 1 8.43 0.05 . . . . . . . . . . 4848 1 2047 . 1 1 188 188 VAL N N 15 126.79 0.5 . . . . . . . . . . 4848 1 2048 . 1 1 188 188 VAL HA H 1 4.77 0.05 . . . . . . . . . . 4848 1 2049 . 1 1 188 188 VAL CA C 13 61.42 0.5 . . . . . . . . . . 4848 1 2050 . 1 1 188 188 VAL HB H 1 2.07 0.05 . . . . . . . . . . 4848 1 2051 . 1 1 188 188 VAL CB C 13 32.39 0.5 . . . . . . . . . . 4848 1 2052 . 1 1 188 188 VAL HG11 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2053 . 1 1 188 188 VAL HG12 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2054 . 1 1 188 188 VAL HG13 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2055 . 1 1 188 188 VAL HG21 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2056 . 1 1 188 188 VAL HG22 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2057 . 1 1 188 188 VAL HG23 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2058 . 1 1 188 188 VAL CG1 C 13 20.63 0.5 . . . . . . . . . . 4848 1 2059 . 1 1 188 188 VAL CG2 C 13 20.63 0.5 . . . . . . . . . . 4848 1 2060 . 1 1 188 188 VAL C C 13 175.32 0.5 . . . . . . . . . . 4848 1 2061 . 1 1 189 189 ILE H H 1 9.33 0.05 . . . . . . . . . . 4848 1 2062 . 1 1 189 189 ILE N N 15 127.89 0.5 . . . . . . . . . . 4848 1 2063 . 1 1 189 189 ILE HA H 1 5.01 0.05 . . . . . . . . . . 4848 1 2064 . 1 1 189 189 ILE CA C 13 59.46 0.5 . . . . . . . . . . 4848 1 2065 . 1 1 189 189 ILE HB H 1 1.83 0.05 . . . . . . . . . . 4848 1 2066 . 1 1 189 189 ILE CB C 13 39.40 0.5 . . . . . . . . . . 4848 1 2067 . 1 1 189 189 ILE HG12 H 1 1.63 0.05 . . . . . . . . . . 4848 1 2068 . 1 1 189 189 ILE HG13 H 1 1.63 0.05 . . . . . . . . . . 4848 1 2069 . 1 1 189 189 ILE HG21 H 1 0.66 0.05 . . . . . . . . . . 4848 1 2070 . 1 1 189 189 ILE HG22 H 1 0.66 0.05 . . . . . . . . . . 4848 1 2071 . 1 1 189 189 ILE HG23 H 1 0.66 0.05 . . . . . . . . . . 4848 1 2072 . 1 1 189 189 ILE CG1 C 13 27.77 0.5 . . . . . . . . . . 4848 1 2073 . 1 1 189 189 ILE CG2 C 13 18.04 0.5 . . . . . . . . . . 4848 1 2074 . 1 1 189 189 ILE HD11 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2075 . 1 1 189 189 ILE HD12 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2076 . 1 1 189 189 ILE HD13 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2077 . 1 1 189 189 ILE CD1 C 13 13.69 0.5 . . . . . . . . . . 4848 1 2078 . 1 1 189 189 ILE C C 13 175.22 0.5 . . . . . . . . . . 4848 1 2079 . 1 1 190 190 ARG H H 1 9.05 0.05 . . . . . . . . . . 4848 1 2080 . 1 1 190 190 ARG N N 15 128.03 0.5 . . . . . . . . . . 4848 1 2081 . 1 1 190 190 ARG HA H 1 4.97 0.05 . . . . . . . . . . 4848 1 2082 . 1 1 190 190 ARG CA C 13 55.19 0.5 . . . . . . . . . . 4848 1 2083 . 1 1 190 190 ARG HB2 H 1 1.95 0.05 . . . . . . . . . . 4848 1 2084 . 1 1 190 190 ARG HB3 H 1 1.95 0.05 . . . . . . . . . . 4848 1 2085 . 1 1 190 190 ARG CB C 13 31.18 0.5 . . . . . . . . . . 4848 1 2086 . 1 1 190 190 ARG HG2 H 1 1.68 0.05 . . . . . . . . . . 4848 1 2087 . 1 1 190 190 ARG HG3 H 1 1.52 0.05 . . . . . . . . . . 4848 1 2088 . 1 1 190 190 ARG CG C 13 27.87 0.5 . . . . . . . . . . 4848 1 2089 . 1 1 190 190 ARG HD2 H 1 3.19 0.05 . . . . . . . . . . 4848 1 2090 . 1 1 190 190 ARG HD3 H 1 3.19 0.05 . . . . . . . . . . 4848 1 2091 . 1 1 190 190 ARG CD C 13 43.17 0.5 . . . . . . . . . . 4848 1 2092 . 1 1 190 190 ARG C C 13 175.03 0.5 . . . . . . . . . . 4848 1 2093 . 1 1 191 191 ILE H H 1 8.20 0.05 . . . . . . . . . . 4848 1 2094 . 1 1 191 191 ILE N N 15 123.57 0.5 . . . . . . . . . . 4848 1 2095 . 1 1 191 191 ILE HA H 1 4.65 0.05 . . . . . . . . . . 4848 1 2096 . 1 1 191 191 ILE CA C 13 58.08 0.5 . . . . . . . . . . 4848 1 2097 . 1 1 191 191 ILE HB H 1 2.33 0.05 . . . . . . . . . . 4848 1 2098 . 1 1 191 191 ILE CB C 13 35.79 0.5 . . . . . . . . . . 4848 1 2099 . 1 1 191 191 ILE HG12 H 1 1.59 0.05 . . . . . . . . . . 4848 1 2100 . 1 1 191 191 ILE HG13 H 1 1.59 0.05 . . . . . . . . . . 4848 1 2101 . 1 1 191 191 ILE HG21 H 1 0.96 0.05 . . . . . . . . . . 4848 1 2102 . 1 1 191 191 ILE HG22 H 1 0.96 0.05 . . . . . . . . . . 4848 1 2103 . 1 1 191 191 ILE HG23 H 1 0.96 0.05 . . . . . . . . . . 4848 1 2104 . 1 1 191 191 ILE CG1 C 13 27.40 0.5 . . . . . . . . . . 4848 1 2105 . 1 1 191 191 ILE CG2 C 13 18.05 0.5 . . . . . . . . . . 4848 1 2106 . 1 1 191 191 ILE HD11 H 1 0.80 0.05 . . . . . . . . . . 4848 1 2107 . 1 1 191 191 ILE HD12 H 1 0.80 0.05 . . . . . . . . . . 4848 1 2108 . 1 1 191 191 ILE HD13 H 1 0.80 0.05 . . . . . . . . . . 4848 1 2109 . 1 1 191 191 ILE CD1 C 13 11.05 0.5 . . . . . . . . . . 4848 1 2110 . 1 1 191 191 ILE C C 13 177.03 0.5 . . . . . . . . . . 4848 1 2111 . 1 1 192 192 LYS H H 1 8.63 0.05 . . . . . . . . . . 4848 1 2112 . 1 1 192 192 LYS N N 15 128.24 0.5 . . . . . . . . . . 4848 1 2113 . 1 1 192 192 LYS HA H 1 4.41 0.05 . . . . . . . . . . 4848 1 2114 . 1 1 192 192 LYS CA C 13 56.19 0.5 . . . . . . . . . . 4848 1 2115 . 1 1 192 192 LYS HB2 H 1 1.75 0.05 . . . . . . . . . . 4848 1 2116 . 1 1 192 192 LYS HB3 H 1 1.75 0.05 . . . . . . . . . . 4848 1 2117 . 1 1 192 192 LYS CB C 13 32.15 0.5 . . . . . . . . . . 4848 1 2118 . 1 1 192 192 LYS HG2 H 1 1.32 0.05 . . . . . . . . . . 4848 1 2119 . 1 1 192 192 LYS HG3 H 1 1.32 0.05 . . . . . . . . . . 4848 1 2120 . 1 1 192 192 LYS CG C 13 24.15 0.5 . . . . . . . . . . 4848 1 2121 . 1 1 192 192 LYS HD2 H 1 1.59 0.05 . . . . . . . . . . 4848 1 2122 . 1 1 192 192 LYS HD3 H 1 1.59 0.05 . . . . . . . . . . 4848 1 2123 . 1 1 192 192 LYS CD C 13 28.58 0.5 . . . . . . . . . . 4848 1 2124 . 1 1 192 192 LYS HE2 H 1 2.85 0.05 . . . . . . . . . . 4848 1 2125 . 1 1 192 192 LYS HE3 H 1 2.85 0.05 . . . . . . . . . . 4848 1 2126 . 1 1 192 192 LYS CE C 13 41.55 0.5 . . . . . . . . . . 4848 1 2127 . 1 1 192 192 LYS C C 13 176.47 0.5 . . . . . . . . . . 4848 1 2128 . 1 1 193 193 GLY H H 1 8.42 0.05 . . . . . . . . . . 4848 1 2129 . 1 1 193 193 GLY N N 15 112.29 0.5 . . . . . . . . . . 4848 1 2130 . 1 1 193 193 GLY HA2 H 1 3.99 0.05 . . . . . . . . . . 4848 1 2131 . 1 1 193 193 GLY HA3 H 1 3.77 0.05 . . . . . . . . . . 4848 1 2132 . 1 1 193 193 GLY CA C 13 44.45 0.5 . . . . . . . . . . 4848 1 2133 . 1 1 193 193 GLY C C 13 172.29 0.5 . . . . . . . . . . 4848 1 2134 . 1 1 194 194 ASP H H 1 8.27 0.05 . . . . . . . . . . 4848 1 2135 . 1 1 194 194 ASP N N 15 121.64 0.5 . . . . . . . . . . 4848 1 2136 . 1 1 194 194 ASP HA H 1 4.55 0.05 . . . . . . . . . . 4848 1 2137 . 1 1 194 194 ASP CA C 13 53.79 0.5 . . . . . . . . . . 4848 1 2138 . 1 1 194 194 ASP HB2 H 1 2.46 0.05 . . . . . . . . . . 4848 1 2139 . 1 1 194 194 ASP HB3 H 1 2.52 0.05 . . . . . . . . . . 4848 1 2140 . 1 1 194 194 ASP CB C 13 41.26 0.5 . . . . . . . . . . 4848 1 2141 . 1 1 194 194 ASP C C 13 176.01 0.5 . . . . . . . . . . 4848 1 2142 . 1 1 195 195 LEU H H 1 8.15 0.05 . . . . . . . . . . 4848 1 2143 . 1 1 195 195 LEU N N 15 123.16 0.5 . . . . . . . . . . 4848 1 2144 . 1 1 195 195 LEU HA H 1 4.40 0.05 . . . . . . . . . . 4848 1 2145 . 1 1 195 195 LEU CA C 13 53.96 0.5 . . . . . . . . . . 4848 1 2146 . 1 1 195 195 LEU HB2 H 1 1.56 0.05 . . . . . . . . . . 4848 1 2147 . 1 1 195 195 LEU HB3 H 1 1.77 0.05 . . . . . . . . . . 4848 1 2148 . 1 1 195 195 LEU CB C 13 43.20 0.5 . . . . . . . . . . 4848 1 2149 . 1 1 195 195 LEU HG H 1 1.74 0.05 . . . . . . . . . . 4848 1 2150 . 1 1 195 195 LEU CG C 13 26.44 0.5 . . . . . . . . . . 4848 1 2151 . 1 1 195 195 LEU HD11 H 1 1.11 0.05 . . . . . . . . . . 4848 1 2152 . 1 1 195 195 LEU HD12 H 1 1.11 0.05 . . . . . . . . . . 4848 1 2153 . 1 1 195 195 LEU HD13 H 1 1.11 0.05 . . . . . . . . . . 4848 1 2154 . 1 1 195 195 LEU HD21 H 1 1.18 0.05 . . . . . . . . . . 4848 1 2155 . 1 1 195 195 LEU HD22 H 1 1.18 0.05 . . . . . . . . . . 4848 1 2156 . 1 1 195 195 LEU HD23 H 1 1.18 0.05 . . . . . . . . . . 4848 1 2157 . 1 1 195 195 LEU CD1 C 13 23.56 0.5 . . . . . . . . . . 4848 1 2158 . 1 1 195 195 LEU CD2 C 13 23.56 0.5 . . . . . . . . . . 4848 1 2159 . 1 1 195 195 LEU C C 13 176.48 0.5 . . . . . . . . . . 4848 1 2160 . 1 1 196 196 VAL H H 1 7.92 0.05 . . . . . . . . . . 4848 1 2161 . 1 1 196 196 VAL N N 15 122.15 0.5 . . . . . . . . . . 4848 1 2162 . 1 1 196 196 VAL HA H 1 4.22 0.05 . . . . . . . . . . 4848 1 2163 . 1 1 196 196 VAL CA C 13 60.90 0.5 . . . . . . . . . . 4848 1 2164 . 1 1 196 196 VAL HB H 1 1.93 0.05 . . . . . . . . . . 4848 1 2165 . 1 1 196 196 VAL CB C 13 32.15 0.5 . . . . . . . . . . 4848 1 2166 . 1 1 196 196 VAL HG11 H 1 0.92 0.05 . . . . . . . . . . 4848 1 2167 . 1 1 196 196 VAL HG12 H 1 0.92 0.05 . . . . . . . . . . 4848 1 2168 . 1 1 196 196 VAL HG13 H 1 0.92 0.05 . . . . . . . . . . 4848 1 2169 . 1 1 196 196 VAL HG21 H 1 1.02 0.05 . . . . . . . . . . 4848 1 2170 . 1 1 196 196 VAL HG22 H 1 1.02 0.05 . . . . . . . . . . 4848 1 2171 . 1 1 196 196 VAL HG23 H 1 1.02 0.05 . . . . . . . . . . 4848 1 2172 . 1 1 196 196 VAL CG1 C 13 20.55 0.5 . . . . . . . . . . 4848 1 2173 . 1 1 196 196 VAL CG2 C 13 21.69 0.5 . . . . . . . . . . 4848 1 2174 . 1 1 196 196 VAL C C 13 174.71 0.5 . . . . . . . . . . 4848 1 2175 . 1 1 197 197 SER H H 1 8.19 0.05 . . . . . . . . . . 4848 1 2176 . 1 1 197 197 SER N N 15 112.97 0.5 . . . . . . . . . . 4848 1 2177 . 1 1 197 197 SER HA H 1 4.82 0.05 . . . . . . . . . . 4848 1 2178 . 1 1 197 197 SER CA C 13 56.84 0.5 . . . . . . . . . . 4848 1 2179 . 1 1 197 197 SER HB2 H 1 3.80 0.05 . . . . . . . . . . 4848 1 2180 . 1 1 197 197 SER HB3 H 1 3.80 0.05 . . . . . . . . . . 4848 1 2181 . 1 1 197 197 SER CB C 13 64.49 0.5 . . . . . . . . . . 4848 1 2182 . 1 1 198 198 LYS H H 1 8.02 0.05 . . . . . . . . . . 4848 1 2183 . 1 1 198 198 LYS N N 15 121.28 0.5 . . . . . . . . . . 4848 1 2184 . 1 1 198 198 LYS CA C 13 52.76 0.5 . . . . . . . . . . 4848 1 2185 . 1 1 198 198 LYS HG2 H 1 1.51 0.05 . . . . . . . . . . 4848 1 2186 . 1 1 198 198 LYS HG3 H 1 1.51 0.05 . . . . . . . . . . 4848 1 2187 . 1 1 198 198 LYS HD2 H 1 1.74 0.05 . . . . . . . . . . 4848 1 2188 . 1 1 198 198 LYS HD3 H 1 1.74 0.05 . . . . . . . . . . 4848 1 2189 . 1 1 198 198 LYS HE2 H 1 3.55 0.05 . . . . . . . . . . 4848 1 2190 . 1 1 198 198 LYS HE3 H 1 3.55 0.05 . . . . . . . . . . 4848 1 2191 . 1 1 199 199 PRO HA H 1 4.36 0.05 . . . . . . . . . . 4848 1 2192 . 1 1 199 199 PRO CA C 13 65.78 0.5 . . . . . . . . . . 4848 1 2193 . 1 1 199 199 PRO HB2 H 1 1.57 0.05 . . . . . . . . . . 4848 1 2194 . 1 1 199 199 PRO HB3 H 1 1.94 0.05 . . . . . . . . . . 4848 1 2195 . 1 1 199 199 PRO CB C 13 30.97 0.5 . . . . . . . . . . 4848 1 2196 . 1 1 199 199 PRO HG2 H 1 1.70 0.05 . . . . . . . . . . 4848 1 2197 . 1 1 199 199 PRO HG3 H 1 1.74 0.05 . . . . . . . . . . 4848 1 2198 . 1 1 199 199 PRO CG C 13 28.09 0.5 . . . . . . . . . . 4848 1 2199 . 1 1 199 199 PRO HD2 H 1 3.19 0.05 . . . . . . . . . . 4848 1 2200 . 1 1 199 199 PRO HD3 H 1 3.19 0.05 . . . . . . . . . . 4848 1 2201 . 1 1 199 199 PRO CD C 13 45.35 0.5 . . . . . . . . . . 4848 1 2202 . 1 1 200 200 TYR H H 1 7.87 0.05 . . . . . . . . . . 4848 1 2203 . 1 1 200 200 TYR N N 15 114.27 0.5 . . . . . . . . . . 4848 1 2204 . 1 1 200 200 TYR HA H 1 4.60 0.05 . . . . . . . . . . 4848 1 2205 . 1 1 200 200 TYR CA C 13 61.48 0.5 . . . . . . . . . . 4848 1 2206 . 1 1 200 200 TYR HB2 H 1 2.91 0.05 . . . . . . . . . . 4848 1 2207 . 1 1 200 200 TYR HB3 H 1 3.02 0.05 . . . . . . . . . . 4848 1 2208 . 1 1 200 200 TYR CB C 13 37.06 0.5 . . . . . . . . . . 4848 1 2209 . 1 1 200 200 TYR C C 13 179.06 0.5 . . . . . . . . . . 4848 1 2210 . 1 1 201 201 ILE H H 1 7.97 0.05 . . . . . . . . . . 4848 1 2211 . 1 1 201 201 ILE N N 15 123.46 0.5 . . . . . . . . . . 4848 1 2212 . 1 1 201 201 ILE HA H 1 3.80 0.05 . . . . . . . . . . 4848 1 2213 . 1 1 201 201 ILE CA C 13 62.61 0.5 . . . . . . . . . . 4848 1 2214 . 1 1 201 201 ILE HB H 1 2.65 0.05 . . . . . . . . . . 4848 1 2215 . 1 1 201 201 ILE CB C 13 34.54 0.5 . . . . . . . . . . 4848 1 2216 . 1 1 201 201 ILE HG12 H 1 1.40 0.05 . . . . . . . . . . 4848 1 2217 . 1 1 201 201 ILE HG13 H 1 1.40 0.05 . . . . . . . . . . 4848 1 2218 . 1 1 201 201 ILE HG21 H 1 0.94 0.05 . . . . . . . . . . 4848 1 2219 . 1 1 201 201 ILE HG22 H 1 0.94 0.05 . . . . . . . . . . 4848 1 2220 . 1 1 201 201 ILE HG23 H 1 0.94 0.05 . . . . . . . . . . 4848 1 2221 . 1 1 201 201 ILE CG1 C 13 26.10 0.5 . . . . . . . . . . 4848 1 2222 . 1 1 201 201 ILE CG2 C 13 18.01 0.5 . . . . . . . . . . 4848 1 2223 . 1 1 201 201 ILE HD11 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2224 . 1 1 201 201 ILE HD12 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2225 . 1 1 201 201 ILE HD13 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2226 . 1 1 201 201 ILE CD1 C 13 12.11 0.5 . . . . . . . . . . 4848 1 2227 . 1 1 201 201 ILE C C 13 174.18 0.5 . . . . . . . . . . 4848 1 2228 . 1 1 202 202 ASP H H 1 7.92 0.05 . . . . . . . . . . 4848 1 2229 . 1 1 202 202 ASP N N 15 120.93 0.5 . . . . . . . . . . 4848 1 2230 . 1 1 202 202 ASP HA H 1 4.62 0.05 . . . . . . . . . . 4848 1 2231 . 1 1 202 202 ASP CA C 13 57.83 0.5 . . . . . . . . . . 4848 1 2232 . 1 1 202 202 ASP HB2 H 1 2.67 0.05 . . . . . . . . . . 4848 1 2233 . 1 1 202 202 ASP HB3 H 1 2.87 0.05 . . . . . . . . . . 4848 1 2234 . 1 1 202 202 ASP CB C 13 39.13 0.5 . . . . . . . . . . 4848 1 2235 . 1 1 202 202 ASP C C 13 178.74 0.5 . . . . . . . . . . 4848 1 2236 . 1 1 203 203 ILE H H 1 7.51 0.05 . . . . . . . . . . 4848 1 2237 . 1 1 203 203 ILE N N 15 118.18 0.5 . . . . . . . . . . 4848 1 2238 . 1 1 203 203 ILE HA H 1 3.79 0.05 . . . . . . . . . . 4848 1 2239 . 1 1 203 203 ILE CA C 13 64.81 0.5 . . . . . . . . . . 4848 1 2240 . 1 1 203 203 ILE HB H 1 1.88 0.05 . . . . . . . . . . 4848 1 2241 . 1 1 203 203 ILE CB C 13 37.56 0.5 . . . . . . . . . . 4848 1 2242 . 1 1 203 203 ILE HG12 H 1 1.13 0.05 . . . . . . . . . . 4848 1 2243 . 1 1 203 203 ILE HG13 H 1 1.13 0.05 . . . . . . . . . . 4848 1 2244 . 1 1 203 203 ILE HG21 H 1 0.86 0.05 . . . . . . . . . . 4848 1 2245 . 1 1 203 203 ILE HG22 H 1 0.86 0.05 . . . . . . . . . . 4848 1 2246 . 1 1 203 203 ILE HG23 H 1 0.86 0.05 . . . . . . . . . . 4848 1 2247 . 1 1 203 203 ILE CG1 C 13 28.09 0.5 . . . . . . . . . . 4848 1 2248 . 1 1 203 203 ILE CG2 C 13 16.77 0.5 . . . . . . . . . . 4848 1 2249 . 1 1 203 203 ILE HD11 H 1 0.67 0.05 . . . . . . . . . . 4848 1 2250 . 1 1 203 203 ILE HD12 H 1 0.67 0.05 . . . . . . . . . . 4848 1 2251 . 1 1 203 203 ILE HD13 H 1 0.67 0.05 . . . . . . . . . . 4848 1 2252 . 1 1 203 203 ILE CD1 C 13 12.86 0.5 . . . . . . . . . . 4848 1 2253 . 1 1 203 203 ILE C C 13 178.81 0.5 . . . . . . . . . . 4848 1 2254 . 1 1 204 204 THR H H 1 7.47 0.05 . . . . . . . . . . 4848 1 2255 . 1 1 204 204 THR N N 15 118.75 0.5 . . . . . . . . . . 4848 1 2256 . 1 1 204 204 THR HA H 1 4.32 0.05 . . . . . . . . . . 4848 1 2257 . 1 1 204 204 THR CA C 13 68.24 0.5 . . . . . . . . . . 4848 1 2258 . 1 1 204 204 THR HB H 1 4.17 0.05 . . . . . . . . . . 4848 1 2259 . 1 1 204 204 THR CB C 13 69.61 0.5 . . . . . . . . . . 4848 1 2260 . 1 1 204 204 THR HG21 H 1 1.17 0.05 . . . . . . . . . . 4848 1 2261 . 1 1 204 204 THR HG22 H 1 1.17 0.05 . . . . . . . . . . 4848 1 2262 . 1 1 204 204 THR HG23 H 1 1.17 0.05 . . . . . . . . . . 4848 1 2263 . 1 1 204 204 THR CG2 C 13 22.30 0.5 . . . . . . . . . . 4848 1 2264 . 1 1 204 204 THR C C 13 175.29 0.5 . . . . . . . . . . 4848 1 2265 . 1 1 205 205 LEU H H 1 8.73 0.05 . . . . . . . . . . 4848 1 2266 . 1 1 205 205 LEU N N 15 120.70 0.5 . . . . . . . . . . 4848 1 2267 . 1 1 205 205 LEU HA H 1 4.21 0.05 . . . . . . . . . . 4848 1 2268 . 1 1 205 205 LEU CA C 13 57.92 0.5 . . . . . . . . . . 4848 1 2269 . 1 1 205 205 LEU HB2 H 1 1.56 0.05 . . . . . . . . . . 4848 1 2270 . 1 1 205 205 LEU HB3 H 1 1.99 0.05 . . . . . . . . . . 4848 1 2271 . 1 1 205 205 LEU CB C 13 40.41 0.5 . . . . . . . . . . 4848 1 2272 . 1 1 205 205 LEU HG H 1 1.85 0.05 . . . . . . . . . . 4848 1 2273 . 1 1 205 205 LEU CG C 13 27.03 0.5 . . . . . . . . . . 4848 1 2274 . 1 1 205 205 LEU HD11 H 1 0.98 0.05 . . . . . . . . . . 4848 1 2275 . 1 1 205 205 LEU HD12 H 1 0.98 0.05 . . . . . . . . . . 4848 1 2276 . 1 1 205 205 LEU HD13 H 1 0.98 0.05 . . . . . . . . . . 4848 1 2277 . 1 1 205 205 LEU HD21 H 1 0.88 0.05 . . . . . . . . . . 4848 1 2278 . 1 1 205 205 LEU HD22 H 1 0.88 0.05 . . . . . . . . . . 4848 1 2279 . 1 1 205 205 LEU HD23 H 1 0.88 0.05 . . . . . . . . . . 4848 1 2280 . 1 1 205 205 LEU CD1 C 13 22.18 0.5 . . . . . . . . . . 4848 1 2281 . 1 1 205 205 LEU CD2 C 13 25.29 0.5 . . . . . . . . . . 4848 1 2282 . 1 1 205 205 LEU C C 13 180.54 0.5 . . . . . . . . . . 4848 1 2283 . 1 1 206 206 ASN H H 1 8.59 0.05 . . . . . . . . . . 4848 1 2284 . 1 1 206 206 ASN N N 15 119.28 0.5 . . . . . . . . . . 4848 1 2285 . 1 1 206 206 ASN HA H 1 4.55 0.05 . . . . . . . . . . 4848 1 2286 . 1 1 206 206 ASN CA C 13 56.00 0.5 . . . . . . . . . . 4848 1 2287 . 1 1 206 206 ASN HB2 H 1 2.94 0.05 . . . . . . . . . . 4848 1 2288 . 1 1 206 206 ASN HB3 H 1 3.13 0.05 . . . . . . . . . . 4848 1 2289 . 1 1 206 206 ASN CB C 13 37.79 0.5 . . . . . . . . . . 4848 1 2290 . 1 1 206 206 ASN C C 13 177.98 0.5 . . . . . . . . . . 4848 1 2291 . 1 1 207 207 LEU H H 1 8.07 0.05 . . . . . . . . . . 4848 1 2292 . 1 1 207 207 LEU N N 15 124.75 0.5 . . . . . . . . . . 4848 1 2293 . 1 1 207 207 LEU HA H 1 4.20 0.05 . . . . . . . . . . 4848 1 2294 . 1 1 207 207 LEU CA C 13 57.93 0.5 . . . . . . . . . . 4848 1 2295 . 1 1 207 207 LEU HB2 H 1 1.73 0.05 . . . . . . . . . . 4848 1 2296 . 1 1 207 207 LEU HB3 H 1 1.85 0.05 . . . . . . . . . . 4848 1 2297 . 1 1 207 207 LEU CB C 13 40.71 0.5 . . . . . . . . . . 4848 1 2298 . 1 1 207 207 LEU HG H 1 1.55 0.05 . . . . . . . . . . 4848 1 2299 . 1 1 207 207 LEU CG C 13 25.45 0.5 . . . . . . . . . . 4848 1 2300 . 1 1 207 207 LEU HD11 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2301 . 1 1 207 207 LEU HD12 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2302 . 1 1 207 207 LEU HD13 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2303 . 1 1 207 207 LEU HD21 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2304 . 1 1 207 207 LEU HD22 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2305 . 1 1 207 207 LEU HD23 H 1 0.65 0.05 . . . . . . . . . . 4848 1 2306 . 1 1 207 207 LEU CD1 C 13 23.98 0.5 . . . . . . . . . . 4848 1 2307 . 1 1 207 207 LEU CD2 C 13 24.04 0.5 . . . . . . . . . . 4848 1 2308 . 1 1 207 207 LEU C C 13 178.97 0.5 . . . . . . . . . . 4848 1 2309 . 1 1 208 208 MET H H 1 8.52 0.05 . . . . . . . . . . 4848 1 2310 . 1 1 208 208 MET N N 15 117.92 0.5 . . . . . . . . . . 4848 1 2311 . 1 1 208 208 MET HA H 1 3.76 0.05 . . . . . . . . . . 4848 1 2312 . 1 1 208 208 MET CA C 13 60.53 0.5 . . . . . . . . . . 4848 1 2313 . 1 1 208 208 MET HB2 H 1 2.10 0.05 . . . . . . . . . . 4848 1 2314 . 1 1 208 208 MET HB3 H 1 2.10 0.05 . . . . . . . . . . 4848 1 2315 . 1 1 208 208 MET CB C 13 33.28 0.5 . . . . . . . . . . 4848 1 2316 . 1 1 208 208 MET HG2 H 1 2.47 0.05 . . . . . . . . . . 4848 1 2317 . 1 1 208 208 MET HG3 H 1 2.71 0.05 . . . . . . . . . . 4848 1 2318 . 1 1 208 208 MET CG C 13 30.53 0.5 . . . . . . . . . . 4848 1 2319 . 1 1 208 208 MET HE1 H 1 1.98 0.05 . . . . . . . . . . 4848 1 2320 . 1 1 208 208 MET HE2 H 1 1.98 0.05 . . . . . . . . . . 4848 1 2321 . 1 1 208 208 MET HE3 H 1 1.98 0.05 . . . . . . . . . . 4848 1 2322 . 1 1 208 208 MET CE C 13 16.09 0.5 . . . . . . . . . . 4848 1 2323 . 1 1 208 208 MET C C 13 178.31 0.5 . . . . . . . . . . 4848 1 2324 . 1 1 209 209 LYS H H 1 8.08 0.05 . . . . . . . . . . 4848 1 2325 . 1 1 209 209 LYS N N 15 119.79 0.5 . . . . . . . . . . 4848 1 2326 . 1 1 209 209 LYS HA H 1 4.20 0.05 . . . . . . . . . . 4848 1 2327 . 1 1 209 209 LYS CA C 13 59.39 0.5 . . . . . . . . . . 4848 1 2328 . 1 1 209 209 LYS HB2 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2329 . 1 1 209 209 LYS HB3 H 1 2.15 0.05 . . . . . . . . . . 4848 1 2330 . 1 1 209 209 LYS CB C 13 31.73 0.5 . . . . . . . . . . 4848 1 2331 . 1 1 209 209 LYS HG2 H 1 1.53 0.05 . . . . . . . . . . 4848 1 2332 . 1 1 209 209 LYS HG3 H 1 1.53 0.05 . . . . . . . . . . 4848 1 2333 . 1 1 209 209 LYS CG C 13 24.52 0.5 . . . . . . . . . . 4848 1 2334 . 1 1 209 209 LYS HD2 H 1 1.77 0.05 . . . . . . . . . . 4848 1 2335 . 1 1 209 209 LYS HD3 H 1 1.77 0.05 . . . . . . . . . . 4848 1 2336 . 1 1 209 209 LYS CD C 13 29.02 0.5 . . . . . . . . . . 4848 1 2337 . 1 1 209 209 LYS HE2 H 1 3.03 0.05 . . . . . . . . . . 4848 1 2338 . 1 1 209 209 LYS HE3 H 1 3.03 0.05 . . . . . . . . . . 4848 1 2339 . 1 1 209 209 LYS CE C 13 41.86 0.5 . . . . . . . . . . 4848 1 2340 . 1 1 209 209 LYS C C 13 181.79 0.5 . . . . . . . . . . 4848 1 2341 . 1 1 210 210 THR H H 1 8.40 0.05 . . . . . . . . . . 4848 1 2342 . 1 1 210 210 THR N N 15 122.29 0.5 . . . . . . . . . . 4848 1 2343 . 1 1 210 210 THR HA H 1 3.97 0.05 . . . . . . . . . . 4848 1 2344 . 1 1 210 210 THR CA C 13 66.97 0.5 . . . . . . . . . . 4848 1 2345 . 1 1 210 210 THR HB H 1 4.73 0.05 . . . . . . . . . . 4848 1 2346 . 1 1 210 210 THR CB C 13 67.91 0.5 . . . . . . . . . . 4848 1 2347 . 1 1 210 210 THR HG21 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2348 . 1 1 210 210 THR HG22 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2349 . 1 1 210 210 THR HG23 H 1 1.12 0.05 . . . . . . . . . . 4848 1 2350 . 1 1 210 210 THR CG2 C 13 21.37 0.5 . . . . . . . . . . 4848 1 2351 . 1 1 210 210 THR C C 13 175.68 0.5 . . . . . . . . . . 4848 1 2352 . 1 1 211 211 PHE H H 1 7.75 0.05 . . . . . . . . . . 4848 1 2353 . 1 1 211 211 PHE N N 15 119.10 0.5 . . . . . . . . . . 4848 1 2354 . 1 1 211 211 PHE HA H 1 4.44 0.05 . . . . . . . . . . 4848 1 2355 . 1 1 211 211 PHE CA C 13 58.74 0.5 . . . . . . . . . . 4848 1 2356 . 1 1 211 211 PHE HB2 H 1 2.88 0.05 . . . . . . . . . . 4848 1 2357 . 1 1 211 211 PHE HB3 H 1 3.63 0.05 . . . . . . . . . . 4848 1 2358 . 1 1 211 211 PHE CB C 13 38.60 0.5 . . . . . . . . . . 4848 1 2359 . 1 1 211 211 PHE C C 13 174.80 0.5 . . . . . . . . . . 4848 1 2360 . 1 1 212 212 GLY H H 1 7.97 0.05 . . . . . . . . . . 4848 1 2361 . 1 1 212 212 GLY N N 15 106.21 0.5 . . . . . . . . . . 4848 1 2362 . 1 1 212 212 GLY HA2 H 1 4.34 0.05 . . . . . . . . . . 4848 1 2363 . 1 1 212 212 GLY HA3 H 1 3.88 0.05 . . . . . . . . . . 4848 1 2364 . 1 1 212 212 GLY CA C 13 46.54 0.5 . . . . . . . . . . 4848 1 2365 . 1 1 212 212 GLY C C 13 174.72 0.5 . . . . . . . . . . 4848 1 2366 . 1 1 213 213 VAL H H 1 8.52 0.05 . . . . . . . . . . 4848 1 2367 . 1 1 213 213 VAL N N 15 122.95 0.5 . . . . . . . . . . 4848 1 2368 . 1 1 213 213 VAL HA H 1 4.35 0.05 . . . . . . . . . . 4848 1 2369 . 1 1 213 213 VAL CA C 13 61.83 0.5 . . . . . . . . . . 4848 1 2370 . 1 1 213 213 VAL HB H 1 1.65 0.05 . . . . . . . . . . 4848 1 2371 . 1 1 213 213 VAL CB C 13 34.63 0.5 . . . . . . . . . . 4848 1 2372 . 1 1 213 213 VAL HG11 H 1 0.32 0.05 . . . . . . . . . . 4848 1 2373 . 1 1 213 213 VAL HG12 H 1 0.32 0.05 . . . . . . . . . . 4848 1 2374 . 1 1 213 213 VAL HG13 H 1 0.32 0.05 . . . . . . . . . . 4848 1 2375 . 1 1 213 213 VAL HG21 H 1 0.57 0.05 . . . . . . . . . . 4848 1 2376 . 1 1 213 213 VAL HG22 H 1 0.57 0.05 . . . . . . . . . . 4848 1 2377 . 1 1 213 213 VAL HG23 H 1 0.57 0.05 . . . . . . . . . . 4848 1 2378 . 1 1 213 213 VAL CG1 C 13 21.83 0.5 . . . . . . . . . . 4848 1 2379 . 1 1 213 213 VAL CG2 C 13 20.68 0.5 . . . . . . . . . . 4848 1 2380 . 1 1 213 213 VAL C C 13 173.94 0.5 . . . . . . . . . . 4848 1 2381 . 1 1 214 214 GLU H H 1 8.74 0.05 . . . . . . . . . . 4848 1 2382 . 1 1 214 214 GLU N N 15 126.18 0.5 . . . . . . . . . . 4848 1 2383 . 1 1 214 214 GLU HA H 1 4.57 0.05 . . . . . . . . . . 4848 1 2384 . 1 1 214 214 GLU CA C 13 54.53 0.5 . . . . . . . . . . 4848 1 2385 . 1 1 214 214 GLU HB2 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2386 . 1 1 214 214 GLU HB3 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2387 . 1 1 214 214 GLU CB C 13 32.27 0.5 . . . . . . . . . . 4848 1 2388 . 1 1 214 214 GLU HG2 H 1 2.13 0.05 . . . . . . . . . . 4848 1 2389 . 1 1 214 214 GLU HG3 H 1 2.28 0.05 . . . . . . . . . . 4848 1 2390 . 1 1 214 214 GLU CG C 13 36.47 0.5 . . . . . . . . . . 4848 1 2391 . 1 1 214 214 GLU C C 13 175.22 0.5 . . . . . . . . . . 4848 1 2392 . 1 1 215 215 ILE H H 1 8.30 0.05 . . . . . . . . . . 4848 1 2393 . 1 1 215 215 ILE N N 15 119.60 0.5 . . . . . . . . . . 4848 1 2394 . 1 1 215 215 ILE HA H 1 4.58 0.05 . . . . . . . . . . 4848 1 2395 . 1 1 215 215 ILE CA C 13 58.45 0.5 . . . . . . . . . . 4848 1 2396 . 1 1 215 215 ILE HB H 1 2.00 0.05 . . . . . . . . . . 4848 1 2397 . 1 1 215 215 ILE CB C 13 40.11 0.5 . . . . . . . . . . 4848 1 2398 . 1 1 215 215 ILE HG12 H 1 1.23 0.05 . . . . . . . . . . 4848 1 2399 . 1 1 215 215 ILE HG13 H 1 1.23 0.05 . . . . . . . . . . 4848 1 2400 . 1 1 215 215 ILE HG21 H 1 0.87 0.05 . . . . . . . . . . 4848 1 2401 . 1 1 215 215 ILE HG22 H 1 0.87 0.05 . . . . . . . . . . 4848 1 2402 . 1 1 215 215 ILE HG23 H 1 0.87 0.05 . . . . . . . . . . 4848 1 2403 . 1 1 215 215 ILE CG1 C 13 26.10 0.5 . . . . . . . . . . 4848 1 2404 . 1 1 215 215 ILE CG2 C 13 18.70 0.5 . . . . . . . . . . 4848 1 2405 . 1 1 215 215 ILE HD11 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2406 . 1 1 215 215 ILE HD12 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2407 . 1 1 215 215 ILE HD13 H 1 0.79 0.05 . . . . . . . . . . 4848 1 2408 . 1 1 215 215 ILE CD1 C 13 14.46 0.5 . . . . . . . . . . 4848 1 2409 . 1 1 215 215 ILE C C 13 174.19 0.5 . . . . . . . . . . 4848 1 2410 . 1 1 216 216 GLU H H 1 7.94 0.05 . . . . . . . . . . 4848 1 2411 . 1 1 216 216 GLU N N 15 123.75 0.5 . . . . . . . . . . 4848 1 2412 . 1 1 216 216 GLU HA H 1 4.52 0.05 . . . . . . . . . . 4848 1 2413 . 1 1 216 216 GLU CA C 13 55.32 0.5 . . . . . . . . . . 4848 1 2414 . 1 1 216 216 GLU HB2 H 1 1.90 0.05 . . . . . . . . . . 4848 1 2415 . 1 1 216 216 GLU HB3 H 1 1.90 0.05 . . . . . . . . . . 4848 1 2416 . 1 1 216 216 GLU CB C 13 30.34 0.5 . . . . . . . . . . 4848 1 2417 . 1 1 216 216 GLU HG2 H 1 2.24 0.05 . . . . . . . . . . 4848 1 2418 . 1 1 216 216 GLU HG3 H 1 2.24 0.05 . . . . . . . . . . 4848 1 2419 . 1 1 216 216 GLU CG C 13 35.72 0.5 . . . . . . . . . . 4848 1 2420 . 1 1 216 216 GLU C C 13 174.18 0.5 . . . . . . . . . . 4848 1 2421 . 1 1 217 217 ASN H H 1 8.79 0.05 . . . . . . . . . . 4848 1 2422 . 1 1 217 217 ASN N N 15 125.69 0.5 . . . . . . . . . . 4848 1 2423 . 1 1 217 217 ASN HA H 1 4.29 0.05 . . . . . . . . . . 4848 1 2424 . 1 1 217 217 ASN CA C 13 50.90 0.5 . . . . . . . . . . 4848 1 2425 . 1 1 217 217 ASN HB2 H 1 2.28 0.05 . . . . . . . . . . 4848 1 2426 . 1 1 217 217 ASN HB3 H 1 2.85 0.05 . . . . . . . . . . 4848 1 2427 . 1 1 217 217 ASN CB C 13 38.30 0.5 . . . . . . . . . . 4848 1 2428 . 1 1 217 217 ASN C C 13 174.20 0.5 . . . . . . . . . . 4848 1 2429 . 1 1 218 218 GLN H H 1 8.33 0.05 . . . . . . . . . . 4848 1 2430 . 1 1 218 218 GLN N N 15 124.99 0.5 . . . . . . . . . . 4848 1 2431 . 1 1 218 218 GLN HA H 1 4.27 0.05 . . . . . . . . . . 4848 1 2432 . 1 1 218 218 GLN CA C 13 53.69 0.5 . . . . . . . . . . 4848 1 2433 . 1 1 218 218 GLN HB2 H 1 2.02 0.05 . . . . . . . . . . 4848 1 2434 . 1 1 218 218 GLN HB3 H 1 2.16 0.05 . . . . . . . . . . 4848 1 2435 . 1 1 218 218 GLN CB C 13 25.71 0.5 . . . . . . . . . . 4848 1 2436 . 1 1 218 218 GLN HG2 H 1 1.02 0.05 . . . . . . . . . . 4848 1 2437 . 1 1 218 218 GLN HG3 H 1 2.16 0.05 . . . . . . . . . . 4848 1 2438 . 1 1 218 218 GLN CG C 13 32.18 0.5 . . . . . . . . . . 4848 1 2439 . 1 1 218 218 GLN C C 13 175.22 0.5 . . . . . . . . . . 4848 1 2440 . 1 1 219 219 HIS H H 1 7.93 0.05 . . . . . . . . . . 4848 1 2441 . 1 1 219 219 HIS N N 15 120.82 0.5 . . . . . . . . . . 4848 1 2442 . 1 1 219 219 HIS HA H 1 4.09 0.05 . . . . . . . . . . 4848 1 2443 . 1 1 219 219 HIS CA C 13 57.64 0.5 . . . . . . . . . . 4848 1 2444 . 1 1 219 219 HIS HB2 H 1 3.08 0.05 . . . . . . . . . . 4848 1 2445 . 1 1 219 219 HIS HB3 H 1 3.29 0.05 . . . . . . . . . . 4848 1 2446 . 1 1 219 219 HIS CB C 13 28.36 0.5 . . . . . . . . . . 4848 1 2447 . 1 1 219 219 HIS C C 13 173.85 0.5 . . . . . . . . . . 4848 1 2448 . 1 1 220 220 TYR H H 1 8.47 0.05 . . . . . . . . . . 4848 1 2449 . 1 1 220 220 TYR N N 15 111.27 0.5 . . . . . . . . . . 4848 1 2450 . 1 1 220 220 TYR HA H 1 3.52 0.05 . . . . . . . . . . 4848 1 2451 . 1 1 220 220 TYR CA C 13 60.12 0.5 . . . . . . . . . . 4848 1 2452 . 1 1 220 220 TYR HB2 H 1 3.35 0.05 . . . . . . . . . . 4848 1 2453 . 1 1 220 220 TYR HB3 H 1 3.35 0.05 . . . . . . . . . . 4848 1 2454 . 1 1 220 220 TYR CB C 13 34.53 0.5 . . . . . . . . . . 4848 1 2455 . 1 1 220 220 TYR C C 13 173.66 0.5 . . . . . . . . . . 4848 1 2456 . 1 1 221 221 GLN H H 1 8.12 0.05 . . . . . . . . . . 4848 1 2457 . 1 1 221 221 GLN N N 15 115.90 0.5 . . . . . . . . . . 4848 1 2458 . 1 1 221 221 GLN HA H 1 4.56 0.05 . . . . . . . . . . 4848 1 2459 . 1 1 221 221 GLN CA C 13 55.88 0.5 . . . . . . . . . . 4848 1 2460 . 1 1 221 221 GLN HB2 H 1 2.02 0.05 . . . . . . . . . . 4848 1 2461 . 1 1 221 221 GLN HB3 H 1 2.18 0.05 . . . . . . . . . . 4848 1 2462 . 1 1 221 221 GLN CB C 13 30.83 0.5 . . . . . . . . . . 4848 1 2463 . 1 1 221 221 GLN HG2 H 1 2.49 0.05 . . . . . . . . . . 4848 1 2464 . 1 1 221 221 GLN HG3 H 1 2.58 0.05 . . . . . . . . . . 4848 1 2465 . 1 1 221 221 GLN CG C 13 34.14 0.5 . . . . . . . . . . 4848 1 2466 . 1 1 221 221 GLN C C 13 176.14 0.5 . . . . . . . . . . 4848 1 2467 . 1 1 222 222 GLN H H 1 7.11 0.05 . . . . . . . . . . 4848 1 2468 . 1 1 222 222 GLN N N 15 116.96 0.5 . . . . . . . . . . 4848 1 2469 . 1 1 222 222 GLN HA H 1 5.34 0.05 . . . . . . . . . . 4848 1 2470 . 1 1 222 222 GLN CA C 13 54.52 0.5 . . . . . . . . . . 4848 1 2471 . 1 1 222 222 GLN HB2 H 1 2.02 0.05 . . . . . . . . . . 4848 1 2472 . 1 1 222 222 GLN HB3 H 1 2.02 0.05 . . . . . . . . . . 4848 1 2473 . 1 1 222 222 GLN CB C 13 31.82 0.5 . . . . . . . . . . 4848 1 2474 . 1 1 222 222 GLN HG2 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2475 . 1 1 222 222 GLN HG3 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2476 . 1 1 222 222 GLN CG C 13 34.85 0.5 . . . . . . . . . . 4848 1 2477 . 1 1 222 222 GLN C C 13 172.55 0.5 . . . . . . . . . . 4848 1 2478 . 1 1 223 223 PHE H H 1 9.37 0.05 . . . . . . . . . . 4848 1 2479 . 1 1 223 223 PHE N N 15 122.24 0.5 . . . . . . . . . . 4848 1 2480 . 1 1 223 223 PHE HA H 1 3.86 0.05 . . . . . . . . . . 4848 1 2481 . 1 1 223 223 PHE CA C 13 55.43 0.5 . . . . . . . . . . 4848 1 2482 . 1 1 223 223 PHE HB2 H 1 2.50 0.05 . . . . . . . . . . 4848 1 2483 . 1 1 223 223 PHE HB3 H 1 2.74 0.05 . . . . . . . . . . 4848 1 2484 . 1 1 223 223 PHE CB C 13 40.98 0.5 . . . . . . . . . . 4848 1 2485 . 1 1 223 223 PHE C C 13 174.29 0.5 . . . . . . . . . . 4848 1 2486 . 1 1 224 224 VAL H H 1 8.98 0.05 . . . . . . . . . . 4848 1 2487 . 1 1 224 224 VAL N N 15 123.81 0.5 . . . . . . . . . . 4848 1 2488 . 1 1 224 224 VAL HA H 1 4.42 0.05 . . . . . . . . . . 4848 1 2489 . 1 1 224 224 VAL CA C 13 62.51 0.5 . . . . . . . . . . 4848 1 2490 . 1 1 224 224 VAL HB H 1 2.07 0.05 . . . . . . . . . . 4848 1 2491 . 1 1 224 224 VAL CB C 13 32.65 0.5 . . . . . . . . . . 4848 1 2492 . 1 1 224 224 VAL HG11 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2493 . 1 1 224 224 VAL HG12 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2494 . 1 1 224 224 VAL HG13 H 1 0.84 0.05 . . . . . . . . . . 4848 1 2495 . 1 1 224 224 VAL HG21 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2496 . 1 1 224 224 VAL HG22 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2497 . 1 1 224 224 VAL HG23 H 1 0.91 0.05 . . . . . . . . . . 4848 1 2498 . 1 1 224 224 VAL CG1 C 13 20.37 0.5 . . . . . . . . . . 4848 1 2499 . 1 1 224 224 VAL CG2 C 13 20.37 0.5 . . . . . . . . . . 4848 1 2500 . 1 1 224 224 VAL C C 13 175.01 0.5 . . . . . . . . . . 4848 1 2501 . 1 1 225 225 VAL H H 1 9.29 0.05 . . . . . . . . . . 4848 1 2502 . 1 1 225 225 VAL N N 15 130.36 0.5 . . . . . . . . . . 4848 1 2503 . 1 1 225 225 VAL HA H 1 4.13 0.05 . . . . . . . . . . 4848 1 2504 . 1 1 225 225 VAL CA C 13 60.70 0.5 . . . . . . . . . . 4848 1 2505 . 1 1 225 225 VAL HB H 1 2.25 0.05 . . . . . . . . . . 4848 1 2506 . 1 1 225 225 VAL CB C 13 33.34 0.5 . . . . . . . . . . 4848 1 2507 . 1 1 225 225 VAL HG11 H 1 0.70 0.05 . . . . . . . . . . 4848 1 2508 . 1 1 225 225 VAL HG12 H 1 0.70 0.05 . . . . . . . . . . 4848 1 2509 . 1 1 225 225 VAL HG13 H 1 0.70 0.05 . . . . . . . . . . 4848 1 2510 . 1 1 225 225 VAL HG21 H 1 0.71 0.05 . . . . . . . . . . 4848 1 2511 . 1 1 225 225 VAL HG22 H 1 0.71 0.05 . . . . . . . . . . 4848 1 2512 . 1 1 225 225 VAL HG23 H 1 0.71 0.05 . . . . . . . . . . 4848 1 2513 . 1 1 225 225 VAL CG1 C 13 20.79 0.5 . . . . . . . . . . 4848 1 2514 . 1 1 225 225 VAL CG2 C 13 19.46 0.5 . . . . . . . . . . 4848 1 2515 . 1 1 225 225 VAL C C 13 174.19 0.5 . . . . . . . . . . 4848 1 2516 . 1 1 226 226 LYS H H 1 8.06 0.05 . . . . . . . . . . 4848 1 2517 . 1 1 226 226 LYS N N 15 126.60 0.5 . . . . . . . . . . 4848 1 2518 . 1 1 226 226 LYS HA H 1 4.45 0.05 . . . . . . . . . . 4848 1 2519 . 1 1 226 226 LYS CA C 13 54.46 0.5 . . . . . . . . . . 4848 1 2520 . 1 1 226 226 LYS HB2 H 1 1.84 0.05 . . . . . . . . . . 4848 1 2521 . 1 1 226 226 LYS HB3 H 1 1.84 0.05 . . . . . . . . . . 4848 1 2522 . 1 1 226 226 LYS CB C 13 30.86 0.5 . . . . . . . . . . 4848 1 2523 . 1 1 226 226 LYS HG2 H 1 1.54 0.05 . . . . . . . . . . 4848 1 2524 . 1 1 226 226 LYS HG3 H 1 1.54 0.05 . . . . . . . . . . 4848 1 2525 . 1 1 226 226 LYS CG C 13 23.54 0.5 . . . . . . . . . . 4848 1 2526 . 1 1 226 226 LYS HD2 H 1 1.64 0.05 . . . . . . . . . . 4848 1 2527 . 1 1 226 226 LYS HD3 H 1 1.64 0.05 . . . . . . . . . . 4848 1 2528 . 1 1 226 226 LYS CD C 13 27.56 0.5 . . . . . . . . . . 4848 1 2529 . 1 1 226 226 LYS HE2 H 1 2.97 0.05 . . . . . . . . . . 4848 1 2530 . 1 1 226 226 LYS HE3 H 1 2.97 0.05 . . . . . . . . . . 4848 1 2531 . 1 1 226 226 LYS CE C 13 41.61 0.5 . . . . . . . . . . 4848 1 2532 . 1 1 226 226 LYS C C 13 177.12 0.5 . . . . . . . . . . 4848 1 2533 . 1 1 227 227 GLY H H 1 9.06 0.05 . . . . . . . . . . 4848 1 2534 . 1 1 227 227 GLY N N 15 110.83 0.5 . . . . . . . . . . 4848 1 2535 . 1 1 227 227 GLY HA2 H 1 4.37 0.05 . . . . . . . . . . 4848 1 2536 . 1 1 227 227 GLY HA3 H 1 3.25 0.05 . . . . . . . . . . 4848 1 2537 . 1 1 227 227 GLY CA C 13 43.88 0.5 . . . . . . . . . . 4848 1 2538 . 1 1 227 227 GLY C C 13 175.82 0.5 . . . . . . . . . . 4848 1 2539 . 1 1 228 228 GLY H H 1 8.74 0.05 . . . . . . . . . . 4848 1 2540 . 1 1 228 228 GLY N N 15 105.15 0.5 . . . . . . . . . . 4848 1 2541 . 1 1 228 228 GLY HA2 H 1 3.85 0.05 . . . . . . . . . . 4848 1 2542 . 1 1 228 228 GLY HA3 H 1 3.73 0.05 . . . . . . . . . . 4848 1 2543 . 1 1 228 228 GLY CA C 13 46.02 0.5 . . . . . . . . . . 4848 1 2544 . 1 1 228 228 GLY C C 13 175.96 0.5 . . . . . . . . . . 4848 1 2545 . 1 1 229 229 GLN H H 1 8.61 0.05 . . . . . . . . . . 4848 1 2546 . 1 1 229 229 GLN N N 15 117.80 0.5 . . . . . . . . . . 4848 1 2547 . 1 1 229 229 GLN HA H 1 4.43 0.05 . . . . . . . . . . 4848 1 2548 . 1 1 229 229 GLN CA C 13 55.60 0.5 . . . . . . . . . . 4848 1 2549 . 1 1 229 229 GLN HB2 H 1 1.92 0.05 . . . . . . . . . . 4848 1 2550 . 1 1 229 229 GLN HB3 H 1 1.92 0.05 . . . . . . . . . . 4848 1 2551 . 1 1 229 229 GLN CB C 13 30.73 0.5 . . . . . . . . . . 4848 1 2552 . 1 1 229 229 GLN HG2 H 1 2.49 0.05 . . . . . . . . . . 4848 1 2553 . 1 1 229 229 GLN HG3 H 1 2.49 0.05 . . . . . . . . . . 4848 1 2554 . 1 1 229 229 GLN CG C 13 34.98 0.5 . . . . . . . . . . 4848 1 2555 . 1 1 229 229 GLN C C 13 173.80 0.5 . . . . . . . . . . 4848 1 2556 . 1 1 230 230 SER H H 1 7.78 0.05 . . . . . . . . . . 4848 1 2557 . 1 1 230 230 SER N N 15 110.94 0.5 . . . . . . . . . . 4848 1 2558 . 1 1 230 230 SER HA H 1 4.46 0.05 . . . . . . . . . . 4848 1 2559 . 1 1 230 230 SER CA C 13 56.92 0.5 . . . . . . . . . . 4848 1 2560 . 1 1 230 230 SER HB2 H 1 2.64 0.05 . . . . . . . . . . 4848 1 2561 . 1 1 230 230 SER HB3 H 1 3.85 0.05 . . . . . . . . . . 4848 1 2562 . 1 1 230 230 SER CB C 13 65.76 0.5 . . . . . . . . . . 4848 1 2563 . 1 1 230 230 SER C C 13 173.09 0.5 . . . . . . . . . . 4848 1 2564 . 1 1 231 231 TYR H H 1 8.81 0.05 . . . . . . . . . . 4848 1 2565 . 1 1 231 231 TYR N N 15 121.06 0.5 . . . . . . . . . . 4848 1 2566 . 1 1 231 231 TYR HA H 1 6.64 0.05 . . . . . . . . . . 4848 1 2567 . 1 1 231 231 TYR CA C 13 58.40 0.5 . . . . . . . . . . 4848 1 2568 . 1 1 231 231 TYR HB2 H 1 2.44 0.05 . . . . . . . . . . 4848 1 2569 . 1 1 231 231 TYR HB3 H 1 3.21 0.05 . . . . . . . . . . 4848 1 2570 . 1 1 231 231 TYR CB C 13 38.81 0.5 . . . . . . . . . . 4848 1 2571 . 1 1 231 231 TYR C C 13 176.15 0.5 . . . . . . . . . . 4848 1 2572 . 1 1 232 232 GLN H H 1 9.29 0.05 . . . . . . . . . . 4848 1 2573 . 1 1 232 232 GLN N N 15 121.28 0.5 . . . . . . . . . . 4848 1 2574 . 1 1 232 232 GLN HA H 1 4.89 0.05 . . . . . . . . . . 4848 1 2575 . 1 1 232 232 GLN CA C 13 53.46 0.5 . . . . . . . . . . 4848 1 2576 . 1 1 232 232 GLN HB2 H 1 1.78 0.05 . . . . . . . . . . 4848 1 2577 . 1 1 232 232 GLN HB3 H 1 1.78 0.05 . . . . . . . . . . 4848 1 2578 . 1 1 232 232 GLN CB C 13 30.88 0.5 . . . . . . . . . . 4848 1 2579 . 1 1 232 232 GLN HG2 H 1 2.39 0.05 . . . . . . . . . . 4848 1 2580 . 1 1 232 232 GLN HG3 H 1 2.39 0.05 . . . . . . . . . . 4848 1 2581 . 1 1 232 232 GLN CG C 13 32.31 0.5 . . . . . . . . . . 4848 1 2582 . 1 1 232 232 GLN C C 13 175.15 0.5 . . . . . . . . . . 4848 1 2583 . 1 1 233 233 SER H H 1 8.49 0.05 . . . . . . . . . . 4848 1 2584 . 1 1 233 233 SER N N 15 118.23 0.5 . . . . . . . . . . 4848 1 2585 . 1 1 233 233 SER HA H 1 4.19 0.05 . . . . . . . . . . 4848 1 2586 . 1 1 233 233 SER CA C 13 55.51 0.5 . . . . . . . . . . 4848 1 2587 . 1 1 233 233 SER HB2 H 1 3.70 0.05 . . . . . . . . . . 4848 1 2588 . 1 1 233 233 SER HB3 H 1 3.74 0.05 . . . . . . . . . . 4848 1 2589 . 1 1 233 233 SER CB C 13 63.27 0.5 . . . . . . . . . . 4848 1 2590 . 1 1 233 233 SER C C 13 175.20 0.5 . . . . . . . . . . 4848 1 2591 . 1 1 234 234 PRO HA H 1 4.73 0.05 . . . . . . . . . . 4848 1 2592 . 1 1 234 234 PRO CA C 13 70.67 0.5 . . . . . . . . . . 4848 1 2593 . 1 1 234 234 PRO HB2 H 1 1.90 0.05 . . . . . . . . . . 4848 1 2594 . 1 1 234 234 PRO HB3 H 1 2.24 0.05 . . . . . . . . . . 4848 1 2595 . 1 1 234 234 PRO CB C 13 31.33 0.5 . . . . . . . . . . 4848 1 2596 . 1 1 234 234 PRO HG2 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2597 . 1 1 234 234 PRO HG3 H 1 2.06 0.05 . . . . . . . . . . 4848 1 2598 . 1 1 234 234 PRO CG C 13 25.31 0.5 . . . . . . . . . . 4848 1 2599 . 1 1 234 234 PRO HD2 H 1 3.69 0.05 . . . . . . . . . . 4848 1 2600 . 1 1 234 234 PRO HD3 H 1 3.69 0.05 . . . . . . . . . . 4848 1 2601 . 1 1 234 234 PRO CD C 13 50.53 0.5 . . . . . . . . . . 4848 1 2602 . 1 1 235 235 GLY H H 1 8.79 0.05 . . . . . . . . . . 4848 1 2603 . 1 1 235 235 GLY N N 15 113.63 0.5 . . . . . . . . . . 4848 1 2604 . 1 1 235 235 GLY HA2 H 1 4.44 0.05 . . . . . . . . . . 4848 1 2605 . 1 1 235 235 GLY HA3 H 1 3.47 0.05 . . . . . . . . . . 4848 1 2606 . 1 1 235 235 GLY CA C 13 46.23 0.5 . . . . . . . . . . 4848 1 2607 . 1 1 235 235 GLY C C 13 173.67 0.5 . . . . . . . . . . 4848 1 2608 . 1 1 236 236 THR H H 1 7.97 0.05 . . . . . . . . . . 4848 1 2609 . 1 1 236 236 THR N N 15 120.08 0.5 . . . . . . . . . . 4848 1 2610 . 1 1 236 236 THR HA H 1 5.21 0.05 . . . . . . . . . . 4848 1 2611 . 1 1 236 236 THR CA C 13 60.69 0.5 . . . . . . . . . . 4848 1 2612 . 1 1 236 236 THR HB H 1 3.96 0.05 . . . . . . . . . . 4848 1 2613 . 1 1 236 236 THR CB C 13 70.02 0.5 . . . . . . . . . . 4848 1 2614 . 1 1 236 236 THR HG21 H 1 1.06 0.05 . . . . . . . . . . 4848 1 2615 . 1 1 236 236 THR HG22 H 1 1.06 0.05 . . . . . . . . . . 4848 1 2616 . 1 1 236 236 THR HG23 H 1 1.06 0.05 . . . . . . . . . . 4848 1 2617 . 1 1 236 236 THR CG2 C 13 19.99 0.5 . . . . . . . . . . 4848 1 2618 . 1 1 236 236 THR C C 13 172.93 0.5 . . . . . . . . . . 4848 1 2619 . 1 1 237 237 TYR H H 1 9.14 0.05 . . . . . . . . . . 4848 1 2620 . 1 1 237 237 TYR N N 15 126.87 0.5 . . . . . . . . . . 4848 1 2621 . 1 1 237 237 TYR HA H 1 4.27 0.05 . . . . . . . . . . 4848 1 2622 . 1 1 237 237 TYR CA C 13 57.98 0.5 . . . . . . . . . . 4848 1 2623 . 1 1 237 237 TYR HB2 H 1 2.31 0.05 . . . . . . . . . . 4848 1 2624 . 1 1 237 237 TYR HB3 H 1 2.67 0.05 . . . . . . . . . . 4848 1 2625 . 1 1 237 237 TYR CB C 13 40.97 0.5 . . . . . . . . . . 4848 1 2626 . 1 1 237 237 TYR C C 13 174.50 0.5 . . . . . . . . . . 4848 1 2627 . 1 1 238 238 LEU H H 1 7.50 0.05 . . . . . . . . . . 4848 1 2628 . 1 1 238 238 LEU N N 15 131.44 0.5 . . . . . . . . . . 4848 1 2629 . 1 1 238 238 LEU HA H 1 4.35 0.05 . . . . . . . . . . 4848 1 2630 . 1 1 238 238 LEU CA C 13 53.73 0.5 . . . . . . . . . . 4848 1 2631 . 1 1 238 238 LEU HB2 H 1 1.40 0.05 . . . . . . . . . . 4848 1 2632 . 1 1 238 238 LEU HB3 H 1 1.40 0.05 . . . . . . . . . . 4848 1 2633 . 1 1 238 238 LEU CB C 13 41.22 0.5 . . . . . . . . . . 4848 1 2634 . 1 1 238 238 LEU HG H 1 1.58 0.05 . . . . . . . . . . 4848 1 2635 . 1 1 238 238 LEU CG C 13 27.03 0.5 . . . . . . . . . . 4848 1 2636 . 1 1 238 238 LEU HD11 H 1 0.72 0.05 . . . . . . . . . . 4848 1 2637 . 1 1 238 238 LEU HD12 H 1 0.72 0.05 . . . . . . . . . . 4848 1 2638 . 1 1 238 238 LEU HD13 H 1 0.72 0.05 . . . . . . . . . . 4848 1 2639 . 1 1 238 238 LEU HD21 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2640 . 1 1 238 238 LEU HD22 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2641 . 1 1 238 238 LEU HD23 H 1 0.90 0.05 . . . . . . . . . . 4848 1 2642 . 1 1 238 238 LEU CD1 C 13 24.79 0.5 . . . . . . . . . . 4848 1 2643 . 1 1 238 238 LEU CD2 C 13 24.42 0.5 . . . . . . . . . . 4848 1 2644 . 1 1 238 238 LEU C C 13 174.62 0.5 . . . . . . . . . . 4848 1 2645 . 1 1 239 239 VAL H H 1 8.36 0.05 . . . . . . . . . . 4848 1 2646 . 1 1 239 239 VAL N N 15 127.63 0.5 . . . . . . . . . . 4848 1 2647 . 1 1 239 239 VAL HA H 1 3.65 0.05 . . . . . . . . . . 4848 1 2648 . 1 1 239 239 VAL CA C 13 63.73 0.5 . . . . . . . . . . 4848 1 2649 . 1 1 239 239 VAL HB H 1 2.21 0.05 . . . . . . . . . . 4848 1 2650 . 1 1 239 239 VAL CB C 13 30.79 0.5 . . . . . . . . . . 4848 1 2651 . 1 1 239 239 VAL HG11 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2652 . 1 1 239 239 VAL HG12 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2653 . 1 1 239 239 VAL HG13 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2654 . 1 1 239 239 VAL HG21 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2655 . 1 1 239 239 VAL HG22 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2656 . 1 1 239 239 VAL HG23 H 1 1.00 0.05 . . . . . . . . . . 4848 1 2657 . 1 1 239 239 VAL CG1 C 13 21.75 0.5 . . . . . . . . . . 4848 1 2658 . 1 1 239 239 VAL CG2 C 13 21.75 0.5 . . . . . . . . . . 4848 1 2659 . 1 1 239 239 VAL C C 13 174.58 0.5 . . . . . . . . . . 4848 1 2660 . 1 1 240 240 GLU H H 1 7.50 0.05 . . . . . . . . . . 4848 1 2661 . 1 1 240 240 GLU N N 15 130.86 0.5 . . . . . . . . . . 4848 1 2662 . 1 1 240 240 GLU HA H 1 4.31 0.05 . . . . . . . . . . 4848 1 2663 . 1 1 240 240 GLU CA C 13 57.66 0.5 . . . . . . . . . . 4848 1 2664 . 1 1 240 240 GLU HB2 H 1 1.78 0.05 . . . . . . . . . . 4848 1 2665 . 1 1 240 240 GLU HB3 H 1 2.04 0.05 . . . . . . . . . . 4848 1 2666 . 1 1 240 240 GLU CB C 13 30.93 0.5 . . . . . . . . . . 4848 1 2667 . 1 1 240 240 GLU HG2 H 1 2.39 0.05 . . . . . . . . . . 4848 1 2668 . 1 1 240 240 GLU HG3 H 1 2.39 0.05 . . . . . . . . . . 4848 1 2669 . 1 1 240 240 GLU CG C 13 33.00 0.5 . . . . . . . . . . 4848 1 2670 . 1 1 240 240 GLU C C 13 180.94 0.5 . . . . . . . . . . 4848 1 stop_ save_