data_6241 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6241 _Entry.Title ; Assignment of the 1H, 13C, and 15N resonances of the josephin domain of ataxin-3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-20 _Entry.Accession_date 2004-06-21 _Entry.Last_release_date 2005-01-07 _Entry.Original_release_date 2005-01-07 _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 Giuseppe Nicastro . . . 6241 2 Laura Masino . . . 6241 3 Thomas Frenkiel . . . 6241 4 Geoff Kelly . . . 6241 5 John McCormick . . . 6241 6 Raj Menon . . . 6241 7 Annalisa Pastore . . . 6241 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6241 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1333 6241 '13C chemical shifts' 814 6241 '15N chemical shifts' 203 6241 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 . . 2005-01-07 2004-06-20 original author . 6241 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6241 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C, and 15N resonances of the josephin domain of human ataxin-3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _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 457 _Citation.Page_last 458 _Citation.Year 2004 _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 Giuseppe Nicastro . . . 6241 1 2 Laura Masino . . . 6241 1 3 Thomas Frenkiel . A. . 6241 1 4 Geoff Kelly . . . 6241 1 5 John McCormick . . . 6241 1 6 Rajesh Menon . P. . 6241 1 7 Annalisa Pastore . . . 6241 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ataxin-3 6241 1 josephin 6241 1 SCA3 6241 1 'polyglutamine disease' 6241 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 6241 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12914917 _Citation.Full_citation ; Masino L, Musi V, Menon RP, Fusi P, Kelly G, Frenkiel TA, Trottier Y, Pastore A. Abstract Domain architecture of the polyglutamine protein ataxin-3: a globular domain followed by a flexible tail. FEBS Lett. 2003 Aug 14;549(1-3):21-5. ; _Citation.Title 'Domain architecture of the polyglutamine protein ataxin-3: a globular domain followed by a flexible tail.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full 'FEBS letters' _Citation.Journal_volume 549 _Citation.Journal_issue 1-3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0014-5793 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 21 _Citation.Page_last 25 _Citation.Year 2003 _Citation.Details ; Anomalous expansion of a polyglutamine (polyQ) tract in the protein ataxin-3 causes spinocerebellar ataxia type 3, an autosomal dominant neurodegenerative disease. Very little is known about the structure and the function of ataxin-3, although this information would undoubtedly help to understand why the expanded protein forms insoluble nuclear aggregates and causes neuronal cell death. With the aim of establishing the domain architecture of ataxin-3 and the role of the polyQ tract within the protein context, we have studied the human and murine orthologues using a combination of techniques, which range from limited proteolysis to circular dichroism (CD) and nuclear magnetic resonance (NMR) spectroscopies. The two protein sequences share a highly conserved N-terminus and differ only in the length of the glutamine repeats and in the C-terminus. Our data conclusively indicate that ataxin-3 is composed by a structured N-terminal domain, followed by a flexible tail. Moreover, [(15)N]glutamine selectively labelled samples allowed us to have a direct insight by NMR into the structure of the polyQ region. ; 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 Laura Masino L. . . 6241 2 2 Valeria Musi V. . . 6241 2 3 'Rajesh P' Menon R. P. . 6241 2 4 Paola Fusi P. . . 6241 2 5 Geoff Kelly G. . . 6241 2 6 'Thomas A' Frenkiel T. A. . 6241 2 7 Yvon Trottier Y. . . 6241 2 8 Annalisa Pastore A. . . 6241 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 6241 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12196134 _Citation.Full_citation ; Masino L, Pastore A. Abstract Glutamine repeats: structural hypotheses and neurodegeneration. Biochem Soc Trans. 2002 Aug;30(4):548-51. Review. ; _Citation.Title 'Glutamine repeats: structural hypotheses and neurodegeneration.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Soc. Trans.' _Citation.Journal_name_full 'Biochemical Society transactions' _Citation.Journal_volume 30 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0300-5127 _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 548 _Citation.Page_last 551 _Citation.Year 2002 _Citation.Details ; A growing number of neurodegenerative diseases are caused by expansion of CAG trinucleotide repeats coding for polyglutamine. The presence of intranuclear inclusions in the affected neuronal cells has suggested a mechanism for pathogenesis based on protein misfolding and aggregation. Detailed understanding of these phenomena is therefore crucial in order to rationalize different phases of the diseases. In the past decade, a few studies have focused on the structural properties of polyglutamine and on the molecular bases of the aggregation process. Most of these studies have been performed on polyglutamine peptides and protein models. Only one report is currently available on the characterization of a full-length polyglutamine protein. The structural hypotheses resulting from these studies are reviewed here. ; loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 L Masino L. . . 6241 3 2 A Pastore A. . . 6241 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_josephin_domain _Assembly.Sf_category assembly _Assembly.Sf_framecode system_josephin_domain _Assembly.Entry_ID 6241 _Assembly.ID 1 _Assembly.Name 'josephin domain of ataxin-3' _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 . _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 6241 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 'josephin domain' 1 $ataxin-3 . . . native . . . . . 6241 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'josephin domain of ataxin-3' system 6241 1 'josephin domain' abbreviation 6241 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ataxin-3 _Entity.Sf_category entity _Entity.Sf_framecode ataxin-3 _Entity.Entry_ID 6241 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ataxin-3 _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 ; MESIFHEKQEGSLCAQHCLN NLLQGEYFSPVELSSIAHQL DEEERMRMAEGGVTSEDYRT FLQQPSGNMDDSGFFSIQVI SNALKVWGLELILFNSPEYQ RLRIDPINERSFICNYKEHW FTVRKLGKQWFNLNSLLTGP ELISDTYLALFLAQLQQEGY SIFVVKGDLPDCEADQLLQM IR ; _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 182 _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 21165.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 17333 . JD . . . . . 100.00 190 100.00 100.00 6.58e-131 . . . . 6241 1 2 no BMRB 6742 . ataxin-3_josephin_domain . . . . . 100.00 190 100.00 100.00 5.35e-131 . . . . 6241 1 3 no PDB 1YZB . "Solution Structure Of The Josephin Domain Of Ataxin-3" . . . . . 100.00 182 100.00 100.00 5.37e-131 . . . . 6241 1 4 no PDB 2AGA . "De-Ubiquitinating Function Of Ataxin-3: Insights From The Solution Structure Of The Josephin Domain" . . . . . 100.00 190 100.00 100.00 6.58e-131 . . . . 6241 1 5 no PDB 2DOS . "Structural Basis For The Recognition Of Lys48-linked Polyubiquitin Chain By The Josephin Domain Of Ataxin-3, A Putative Deubiqu" . . . . . 93.96 176 100.00 100.00 3.41e-122 . . . . 6241 1 6 no PDB 2JRI . "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." . . . . . 100.00 182 100.00 100.00 5.37e-131 . . . . 6241 1 7 no DBJ BAB18798 . "ataxin-3 [Homo sapiens]" . . . . . 65.93 306 99.17 100.00 5.37e-82 . . . . 6241 1 8 no DBJ BAB25825 . "unnamed protein product [Mus musculus]" . . . . . 100.00 351 98.90 100.00 2.88e-130 . . . . 6241 1 9 no DBJ BAB55645 . "ataxin-3 [Homo sapiens]" . . . . . 100.00 361 100.00 100.00 3.79e-132 . . . . 6241 1 10 no DBJ BAB55646 . "ataxin-3 [Homo sapiens]" . . . . . 100.00 364 100.00 100.00 1.15e-130 . . . . 6241 1 11 no DBJ BAC27155 . "unnamed protein product [Mus musculus]" . . . . . 100.00 355 98.35 100.00 8.24e-130 . . . . 6241 1 12 no EMBL CAA72986 . "spinocerebellar ataxia type 3 [Rattus norvegicus]" . . . . . 100.00 355 98.90 100.00 2.54e-130 . . . . 6241 1 13 no GB AAB33571 . "MJD1 protein [Homo sapiens]" . . . . . 100.00 360 100.00 100.00 1.56e-131 . . . . 6241 1 14 no GB AAB63352 . "josephin MJD1 [Homo sapiens]" . . . . . 100.00 361 100.00 100.00 4.00e-132 . . . . 6241 1 15 no GB AAB63353 . "josephin MJD1 [Homo sapiens]" . . . . . 100.00 364 100.00 100.00 1.13e-130 . . . . 6241 1 16 no GB AAB63354 . "josephin MJD1 [Homo sapiens]" . . . . . 99.45 373 100.00 100.00 1.27e-131 . . . . 6241 1 17 no GB AAH33711 . "ATXN3 protein [Homo sapiens]" . . . . . 100.00 370 100.00 100.00 2.60e-132 . . . . 6241 1 18 no REF NP_001092686 . "ataxin-3 [Bos taurus]" . . . . . 100.00 291 100.00 100.00 3.37e-131 . . . . 6241 1 19 no REF NP_001116553 . "ataxin-3 [Sus scrofa]" . . . . . 100.00 353 100.00 100.00 1.54e-131 . . . . 6241 1 20 no REF NP_001124408 . "ataxin-3 [Ovis aries]" . . . . . 100.00 291 100.00 100.00 4.47e-131 . . . . 6241 1 21 no REF NP_001158250 . "ataxin-3 isoform o [Homo sapiens]" . . . . . 70.88 154 100.00 100.00 4.61e-91 . . . . 6241 1 22 no REF NP_001161386 . "ataxin-3 isoform 2 [Mus musculus]" . . . . . 100.00 291 98.90 100.00 3.06e-130 . . . . 6241 1 23 no SP O35815 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Rattus norvegicus]" . . . . . 100.00 355 98.90 100.00 2.54e-130 . . . . 6241 1 24 no SP P54252 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1; AltName: Full=Spinocerebellar ataxia type 3 protein [Ho" . . . . . 100.00 364 100.00 100.00 1.15e-130 . . . . 6241 1 25 no SP Q9CVD2 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Mus musculus]" . . . . . 100.00 355 98.90 100.00 1.54e-130 . . . . 6241 1 26 no TPG DAA17354 . "TPA: ataxin-3 [Bos taurus]" . . . . . 100.00 291 100.00 100.00 3.37e-131 . . . . 6241 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ataxin-3 common 6241 1 ataxin-3 abbreviation 6241 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 . 6241 1 2 . GLU . 6241 1 3 . SER . 6241 1 4 . ILE . 6241 1 5 . PHE . 6241 1 6 . HIS . 6241 1 7 . GLU . 6241 1 8 . LYS . 6241 1 9 . GLN . 6241 1 10 . GLU . 6241 1 11 . GLY . 6241 1 12 . SER . 6241 1 13 . LEU . 6241 1 14 . CYS . 6241 1 15 . ALA . 6241 1 16 . GLN . 6241 1 17 . HIS . 6241 1 18 . CYS . 6241 1 19 . LEU . 6241 1 20 . ASN . 6241 1 21 . ASN . 6241 1 22 . LEU . 6241 1 23 . LEU . 6241 1 24 . GLN . 6241 1 25 . GLY . 6241 1 26 . GLU . 6241 1 27 . TYR . 6241 1 28 . PHE . 6241 1 29 . SER . 6241 1 30 . PRO . 6241 1 31 . VAL . 6241 1 32 . GLU . 6241 1 33 . LEU . 6241 1 34 . SER . 6241 1 35 . SER . 6241 1 36 . ILE . 6241 1 37 . ALA . 6241 1 38 . HIS . 6241 1 39 . GLN . 6241 1 40 . LEU . 6241 1 41 . ASP . 6241 1 42 . GLU . 6241 1 43 . GLU . 6241 1 44 . GLU . 6241 1 45 . ARG . 6241 1 46 . MET . 6241 1 47 . ARG . 6241 1 48 . MET . 6241 1 49 . ALA . 6241 1 50 . GLU . 6241 1 51 . GLY . 6241 1 52 . GLY . 6241 1 53 . VAL . 6241 1 54 . THR . 6241 1 55 . SER . 6241 1 56 . GLU . 6241 1 57 . ASP . 6241 1 58 . TYR . 6241 1 59 . ARG . 6241 1 60 . THR . 6241 1 61 . PHE . 6241 1 62 . LEU . 6241 1 63 . GLN . 6241 1 64 . GLN . 6241 1 65 . PRO . 6241 1 66 . SER . 6241 1 67 . GLY . 6241 1 68 . ASN . 6241 1 69 . MET . 6241 1 70 . ASP . 6241 1 71 . ASP . 6241 1 72 . SER . 6241 1 73 . GLY . 6241 1 74 . PHE . 6241 1 75 . PHE . 6241 1 76 . SER . 6241 1 77 . ILE . 6241 1 78 . GLN . 6241 1 79 . VAL . 6241 1 80 . ILE . 6241 1 81 . SER . 6241 1 82 . ASN . 6241 1 83 . ALA . 6241 1 84 . LEU . 6241 1 85 . LYS . 6241 1 86 . VAL . 6241 1 87 . TRP . 6241 1 88 . GLY . 6241 1 89 . LEU . 6241 1 90 . GLU . 6241 1 91 . LEU . 6241 1 92 . ILE . 6241 1 93 . LEU . 6241 1 94 . PHE . 6241 1 95 . ASN . 6241 1 96 . SER . 6241 1 97 . PRO . 6241 1 98 . GLU . 6241 1 99 . TYR . 6241 1 100 . GLN . 6241 1 101 . ARG . 6241 1 102 . LEU . 6241 1 103 . ARG . 6241 1 104 . ILE . 6241 1 105 . ASP . 6241 1 106 . PRO . 6241 1 107 . ILE . 6241 1 108 . ASN . 6241 1 109 . GLU . 6241 1 110 . ARG . 6241 1 111 . SER . 6241 1 112 . PHE . 6241 1 113 . ILE . 6241 1 114 . CYS . 6241 1 115 . ASN . 6241 1 116 . TYR . 6241 1 117 . LYS . 6241 1 118 . GLU . 6241 1 119 . HIS . 6241 1 120 . TRP . 6241 1 121 . PHE . 6241 1 122 . THR . 6241 1 123 . VAL . 6241 1 124 . ARG . 6241 1 125 . LYS . 6241 1 126 . LEU . 6241 1 127 . GLY . 6241 1 128 . LYS . 6241 1 129 . GLN . 6241 1 130 . TRP . 6241 1 131 . PHE . 6241 1 132 . ASN . 6241 1 133 . LEU . 6241 1 134 . ASN . 6241 1 135 . SER . 6241 1 136 . LEU . 6241 1 137 . LEU . 6241 1 138 . THR . 6241 1 139 . GLY . 6241 1 140 . PRO . 6241 1 141 . GLU . 6241 1 142 . LEU . 6241 1 143 . ILE . 6241 1 144 . SER . 6241 1 145 . ASP . 6241 1 146 . THR . 6241 1 147 . TYR . 6241 1 148 . LEU . 6241 1 149 . ALA . 6241 1 150 . LEU . 6241 1 151 . PHE . 6241 1 152 . LEU . 6241 1 153 . ALA . 6241 1 154 . GLN . 6241 1 155 . LEU . 6241 1 156 . GLN . 6241 1 157 . GLN . 6241 1 158 . GLU . 6241 1 159 . GLY . 6241 1 160 . TYR . 6241 1 161 . SER . 6241 1 162 . ILE . 6241 1 163 . PHE . 6241 1 164 . VAL . 6241 1 165 . VAL . 6241 1 166 . LYS . 6241 1 167 . GLY . 6241 1 168 . ASP . 6241 1 169 . LEU . 6241 1 170 . PRO . 6241 1 171 . ASP . 6241 1 172 . CYS . 6241 1 173 . GLU . 6241 1 174 . ALA . 6241 1 175 . ASP . 6241 1 176 . GLN . 6241 1 177 . LEU . 6241 1 178 . LEU . 6241 1 179 . GLN . 6241 1 180 . MET . 6241 1 181 . ILE . 6241 1 182 . ARG . 6241 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 6241 1 . GLU 2 2 6241 1 . SER 3 3 6241 1 . ILE 4 4 6241 1 . PHE 5 5 6241 1 . HIS 6 6 6241 1 . GLU 7 7 6241 1 . LYS 8 8 6241 1 . GLN 9 9 6241 1 . GLU 10 10 6241 1 . GLY 11 11 6241 1 . SER 12 12 6241 1 . LEU 13 13 6241 1 . CYS 14 14 6241 1 . ALA 15 15 6241 1 . GLN 16 16 6241 1 . HIS 17 17 6241 1 . CYS 18 18 6241 1 . LEU 19 19 6241 1 . ASN 20 20 6241 1 . ASN 21 21 6241 1 . LEU 22 22 6241 1 . LEU 23 23 6241 1 . GLN 24 24 6241 1 . GLY 25 25 6241 1 . GLU 26 26 6241 1 . TYR 27 27 6241 1 . PHE 28 28 6241 1 . SER 29 29 6241 1 . PRO 30 30 6241 1 . VAL 31 31 6241 1 . GLU 32 32 6241 1 . LEU 33 33 6241 1 . SER 34 34 6241 1 . SER 35 35 6241 1 . ILE 36 36 6241 1 . ALA 37 37 6241 1 . HIS 38 38 6241 1 . GLN 39 39 6241 1 . LEU 40 40 6241 1 . ASP 41 41 6241 1 . GLU 42 42 6241 1 . GLU 43 43 6241 1 . GLU 44 44 6241 1 . ARG 45 45 6241 1 . MET 46 46 6241 1 . ARG 47 47 6241 1 . MET 48 48 6241 1 . ALA 49 49 6241 1 . GLU 50 50 6241 1 . GLY 51 51 6241 1 . GLY 52 52 6241 1 . VAL 53 53 6241 1 . THR 54 54 6241 1 . SER 55 55 6241 1 . GLU 56 56 6241 1 . ASP 57 57 6241 1 . TYR 58 58 6241 1 . ARG 59 59 6241 1 . THR 60 60 6241 1 . PHE 61 61 6241 1 . LEU 62 62 6241 1 . GLN 63 63 6241 1 . GLN 64 64 6241 1 . PRO 65 65 6241 1 . SER 66 66 6241 1 . GLY 67 67 6241 1 . ASN 68 68 6241 1 . MET 69 69 6241 1 . ASP 70 70 6241 1 . ASP 71 71 6241 1 . SER 72 72 6241 1 . GLY 73 73 6241 1 . PHE 74 74 6241 1 . PHE 75 75 6241 1 . SER 76 76 6241 1 . ILE 77 77 6241 1 . GLN 78 78 6241 1 . VAL 79 79 6241 1 . ILE 80 80 6241 1 . SER 81 81 6241 1 . ASN 82 82 6241 1 . ALA 83 83 6241 1 . LEU 84 84 6241 1 . LYS 85 85 6241 1 . VAL 86 86 6241 1 . TRP 87 87 6241 1 . GLY 88 88 6241 1 . LEU 89 89 6241 1 . GLU 90 90 6241 1 . LEU 91 91 6241 1 . ILE 92 92 6241 1 . LEU 93 93 6241 1 . PHE 94 94 6241 1 . ASN 95 95 6241 1 . SER 96 96 6241 1 . PRO 97 97 6241 1 . GLU 98 98 6241 1 . TYR 99 99 6241 1 . GLN 100 100 6241 1 . ARG 101 101 6241 1 . LEU 102 102 6241 1 . ARG 103 103 6241 1 . ILE 104 104 6241 1 . ASP 105 105 6241 1 . PRO 106 106 6241 1 . ILE 107 107 6241 1 . ASN 108 108 6241 1 . GLU 109 109 6241 1 . ARG 110 110 6241 1 . SER 111 111 6241 1 . PHE 112 112 6241 1 . ILE 113 113 6241 1 . CYS 114 114 6241 1 . ASN 115 115 6241 1 . TYR 116 116 6241 1 . LYS 117 117 6241 1 . GLU 118 118 6241 1 . HIS 119 119 6241 1 . TRP 120 120 6241 1 . PHE 121 121 6241 1 . THR 122 122 6241 1 . VAL 123 123 6241 1 . ARG 124 124 6241 1 . LYS 125 125 6241 1 . LEU 126 126 6241 1 . GLY 127 127 6241 1 . LYS 128 128 6241 1 . GLN 129 129 6241 1 . TRP 130 130 6241 1 . PHE 131 131 6241 1 . ASN 132 132 6241 1 . LEU 133 133 6241 1 . ASN 134 134 6241 1 . SER 135 135 6241 1 . LEU 136 136 6241 1 . LEU 137 137 6241 1 . THR 138 138 6241 1 . GLY 139 139 6241 1 . PRO 140 140 6241 1 . GLU 141 141 6241 1 . LEU 142 142 6241 1 . ILE 143 143 6241 1 . SER 144 144 6241 1 . ASP 145 145 6241 1 . THR 146 146 6241 1 . TYR 147 147 6241 1 . LEU 148 148 6241 1 . ALA 149 149 6241 1 . LEU 150 150 6241 1 . PHE 151 151 6241 1 . LEU 152 152 6241 1 . ALA 153 153 6241 1 . GLN 154 154 6241 1 . LEU 155 155 6241 1 . GLN 156 156 6241 1 . GLN 157 157 6241 1 . GLU 158 158 6241 1 . GLY 159 159 6241 1 . TYR 160 160 6241 1 . SER 161 161 6241 1 . ILE 162 162 6241 1 . PHE 163 163 6241 1 . VAL 164 164 6241 1 . VAL 165 165 6241 1 . LYS 166 166 6241 1 . GLY 167 167 6241 1 . ASP 168 168 6241 1 . LEU 169 169 6241 1 . PRO 170 170 6241 1 . ASP 171 171 6241 1 . CYS 172 172 6241 1 . GLU 173 173 6241 1 . ALA 174 174 6241 1 . ASP 175 175 6241 1 . GLN 176 176 6241 1 . LEU 177 177 6241 1 . LEU 178 178 6241 1 . GLN 179 179 6241 1 . MET 180 180 6241 1 . ILE 181 181 6241 1 . ARG 182 182 6241 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6241 _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 $ataxin-3 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6241 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 6241 _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 $ataxin-3 . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . pET . . . . . . . . . 6241 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6241 _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 ataxin-3 '[U-95% 13C; U-95% 15N]' . . 1 $ataxin-3 . . 0.4 0.2 0.5 mM . . . . 6241 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_1 _Sample_condition_list.Entry_ID 6241 _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 6.5 0.2 n/a 6241 1 temperature 298 0.5 K 6241 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrDraw _Software.Sf_category software _Software.Sf_framecode nmrDraw _Software.Entry_ID 6241 _Software.ID 1 _Software.Name nmrDraw _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 6241 1 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 6241 _Software.ID 2 _Software.Name nmrPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 6241 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 6241 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignments' 6241 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6241 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6241 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6241 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 600 . . . 6241 1 2 NMR_spectrometer_2 Varian INOVA . 800 . . . 6241 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 6241 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 2 13C-NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 6 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 7 C(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 8 H(CCO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 9 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 10 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6241 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-NOESY-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6241 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 6241 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6241 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6241 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6241 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 6241 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6241 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 H H 1 8.649 0.002 . 1 . . . . . . . . 6241 1 2 . 1 1 1 1 MET N N 15 116.968 0.070 . 1 . . . . . . . . 6241 1 3 . 1 1 1 1 MET CA C 13 56.880 0.080 . 1 . . . . . . . . 6241 1 4 . 1 1 1 1 MET HA H 1 4.205 0.001 . 1 . . . . . . . . 6241 1 5 . 1 1 1 1 MET C C 13 177.630 0.080 . 1 . . . . . . . . 6241 1 6 . 1 1 1 1 MET CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 7 . 1 1 1 1 MET HB2 H 1 2.036 0.020 . 1 . . . . . . . . 6241 1 8 . 1 1 1 1 MET HB3 H 1 2.036 0.020 . 1 . . . . . . . . 6241 1 9 . 1 1 1 1 MET CG C 13 32.630 0.080 . 1 . . . . . . . . 6241 1 10 . 1 1 1 1 MET HG2 H 1 2.676 0.001 . 1 . . . . . . . . 6241 1 11 . 1 1 1 1 MET HG3 H 1 2.540 0.003 . 1 . . . . . . . . 6241 1 12 . 1 1 1 1 MET CE C 13 17.170 0.000 . 1 . . . . . . . . 6241 1 13 . 1 1 1 1 MET HE1 H 1 2.119 0.000 . 1 . . . . . . . . 6241 1 14 . 1 1 1 1 MET HE2 H 1 2.119 0.000 . 1 . . . . . . . . 6241 1 15 . 1 1 1 1 MET HE3 H 1 2.119 0.000 . 1 . . . . . . . . 6241 1 16 . 1 1 2 2 GLU H H 1 8.252 0.002 . 1 . . . . . . . . 6241 1 17 . 1 1 2 2 GLU N N 15 119.156 0.070 . 1 . . . . . . . . 6241 1 18 . 1 1 2 2 GLU CA C 13 58.570 0.080 . 1 . . . . . . . . 6241 1 19 . 1 1 2 2 GLU HA H 1 4.142 0.001 . 1 . . . . . . . . 6241 1 20 . 1 1 2 2 GLU C C 13 176.730 0.080 . 1 . . . . . . . . 6241 1 21 . 1 1 2 2 GLU CB C 13 29.250 0.080 . 1 . . . . . . . . 6241 1 22 . 1 1 2 2 GLU HB2 H 1 2.063 0.020 . 1 . . . . . . . . 6241 1 23 . 1 1 2 2 GLU HB3 H 1 2.063 0.020 . 1 . . . . . . . . 6241 1 24 . 1 1 2 2 GLU CG C 13 37.136 0.080 . 1 . . . . . . . . 6241 1 25 . 1 1 2 2 GLU HG2 H 1 2.400 0.001 . 1 . . . . . . . . 6241 1 26 . 1 1 2 2 GLU HG3 H 1 2.245 0.002 . 1 . . . . . . . . 6241 1 27 . 1 1 3 3 SER H H 1 7.858 0.004 . 1 . . . . . . . . 6241 1 28 . 1 1 3 3 SER N N 15 113.687 0.070 . 1 . . . . . . . . 6241 1 29 . 1 1 3 3 SER CA C 13 59.300 0.080 . 1 . . . . . . . . 6241 1 30 . 1 1 3 3 SER HA H 1 4.338 0.003 . 1 . . . . . . . . 6241 1 31 . 1 1 3 3 SER C C 13 173.830 0.080 . 1 . . . . . . . . 6241 1 32 . 1 1 3 3 SER CB C 13 63.820 0.080 . 1 . . . . . . . . 6241 1 33 . 1 1 3 3 SER HB2 H 1 3.829 0.001 . 1 . . . . . . . . 6241 1 34 . 1 1 3 3 SER HB3 H 1 3.779 0.001 . 1 . . . . . . . . 6241 1 35 . 1 1 4 4 ILE H H 1 7.299 0.007 . 1 . . . . . . . . 6241 1 36 . 1 1 4 4 ILE N N 15 122.593 0.070 . 1 . . . . . . . . 6241 1 37 . 1 1 4 4 ILE CA C 13 62.680 0.080 . 1 . . . . . . . . 6241 1 38 . 1 1 4 4 ILE HA H 1 3.585 0.003 . 1 . . . . . . . . 6241 1 39 . 1 1 4 4 ILE C C 13 174.840 0.080 . 1 . . . . . . . . 6241 1 40 . 1 1 4 4 ILE CB C 13 39.068 0.080 . 1 . . . . . . . . 6241 1 41 . 1 1 4 4 ILE HB H 1 1.537 0.002 . 1 . . . . . . . . 6241 1 42 . 1 1 4 4 ILE CG2 C 13 17.178 0.080 . 1 . . . . . . . . 6241 1 43 . 1 1 4 4 ILE HG21 H 1 0.498 0.001 . 1 . . . . . . . . 6241 1 44 . 1 1 4 4 ILE HG22 H 1 0.498 0.001 . 1 . . . . . . . . 6241 1 45 . 1 1 4 4 ILE HG23 H 1 0.498 0.001 . 1 . . . . . . . . 6241 1 46 . 1 1 4 4 ILE CG1 C 13 27.962 0.080 . 1 . . . . . . . . 6241 1 47 . 1 1 4 4 ILE HG12 H 1 1.418 0.020 . 1 . . . . . . . . 6241 1 48 . 1 1 4 4 ILE HG13 H 1 0.424 0.001 . 1 . . . . . . . . 6241 1 49 . 1 1 4 4 ILE CD1 C 13 12.993 0.080 . 1 . . . . . . . . 6241 1 50 . 1 1 4 4 ILE HD11 H 1 -0.023 0.001 . 1 . . . . . . . . 6241 1 51 . 1 1 4 4 ILE HD12 H 1 -0.023 0.001 . 1 . . . . . . . . 6241 1 52 . 1 1 4 4 ILE HD13 H 1 -0.023 0.001 . 1 . . . . . . . . 6241 1 53 . 1 1 5 5 PHE H H 1 8.955 0.002 . 1 . . . . . . . . 6241 1 54 . 1 1 5 5 PHE N N 15 132.437 0.070 . 1 . . . . . . . . 6241 1 55 . 1 1 5 5 PHE CA C 13 58.330 0.080 . 1 . . . . . . . . 6241 1 56 . 1 1 5 5 PHE HA H 1 4.273 0.004 . 1 . . . . . . . . 6241 1 57 . 1 1 5 5 PHE C C 13 173.850 0.080 . 1 . . . . . . . . 6241 1 58 . 1 1 5 5 PHE CB C 13 38.746 0.080 . 1 . . . . . . . . 6241 1 59 . 1 1 5 5 PHE HB2 H 1 2.784 0.020 . 1 . . . . . . . . 6241 1 60 . 1 1 5 5 PHE HB3 H 1 2.810 0.020 . 1 . . . . . . . . 6241 1 61 . 1 1 5 5 PHE CD1 C 13 131.710 0.000 . 1 . . . . . . . . 6241 1 62 . 1 1 5 5 PHE HD1 H 1 7.200 0.000 . 1 . . . . . . . . 6241 1 63 . 1 1 5 5 PHE CD2 C 13 131.710 0.000 . 1 . . . . . . . . 6241 1 64 . 1 1 5 5 PHE HD2 H 1 7.200 0.000 . 1 . . . . . . . . 6241 1 65 . 1 1 5 5 PHE CZ C 13 129.470 0.000 . 1 . . . . . . . . 6241 1 66 . 1 1 5 5 PHE HZ H 1 7.205 0.000 . 1 . . . . . . . . 6241 1 67 . 1 1 6 6 HIS H H 1 8.067 0.013 . 1 . . . . . . . . 6241 1 68 . 1 1 6 6 HIS N N 15 128.375 0.070 . 1 . . . . . . . . 6241 1 69 . 1 1 6 6 HIS CA C 13 56.220 0.080 . 1 . . . . . . . . 6241 1 70 . 1 1 6 6 HIS HA H 1 4.456 0.001 . 1 . . . . . . . . 6241 1 71 . 1 1 6 6 HIS C C 13 172.470 0.080 . 1 . . . . . . . . 6241 1 72 . 1 1 6 6 HIS CB C 13 32.790 0.080 . 1 . . . . . . . . 6241 1 73 . 1 1 6 6 HIS HB2 H 1 2.776 0.003 . 1 . . . . . . . . 6241 1 74 . 1 1 6 6 HIS HB3 H 1 2.562 0.002 . 1 . . . . . . . . 6241 1 75 . 1 1 6 6 HIS CD2 C 13 115.084 0.080 . 1 . . . . . . . . 6241 1 76 . 1 1 6 6 HIS HD2 H 1 6.643 0.001 . 1 . . . . . . . . 6241 1 77 . 1 1 6 6 HIS CE1 C 13 137.258 0.080 . 1 . . . . . . . . 6241 1 78 . 1 1 6 6 HIS HE1 H 1 7.187 0.003 . 1 . . . . . . . . 6241 1 79 . 1 1 7 7 GLU H H 1 9.726 0.020 . 1 . . . . . . . . 6241 1 80 . 1 1 7 7 GLU N N 15 129.781 0.070 . 1 . . . . . . . . 6241 1 81 . 1 1 7 7 GLU CA C 13 56.260 0.080 . 1 . . . . . . . . 6241 1 82 . 1 1 7 7 GLU HA H 1 3.925 0.003 . 1 . . . . . . . . 6241 1 83 . 1 1 7 7 GLU C C 13 175.520 0.080 . 1 . . . . . . . . 6241 1 84 . 1 1 7 7 GLU CB C 13 31.503 0.080 . 1 . . . . . . . . 6241 1 85 . 1 1 7 7 GLU HB2 H 1 1.965 0.003 . 1 . . . . . . . . 6241 1 86 . 1 1 7 7 GLU HB3 H 1 1.783 0.001 . 1 . . . . . . . . 6241 1 87 . 1 1 7 7 GLU CG C 13 37.458 0.080 . 1 . . . . . . . . 6241 1 88 . 1 1 7 7 GLU HG2 H 1 2.342 0.004 . 1 . . . . . . . . 6241 1 89 . 1 1 7 7 GLU HG3 H 1 2.106 0.002 . 1 . . . . . . . . 6241 1 90 . 1 1 8 8 LYS H H 1 7.736 0.001 . 1 . . . . . . . . 6241 1 91 . 1 1 8 8 LYS N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 92 . 1 1 8 8 LYS CA C 13 54.580 0.080 . 1 . . . . . . . . 6241 1 93 . 1 1 8 8 LYS HA H 1 4.301 0.010 . 1 . . . . . . . . 6241 1 94 . 1 1 8 8 LYS C C 13 175.360 0.080 . 1 . . . . . . . . 6241 1 95 . 1 1 8 8 LYS CB C 13 33.756 0.080 . 1 . . . . . . . . 6241 1 96 . 1 1 8 8 LYS HB2 H 1 1.737 0.003 . 1 . . . . . . . . 6241 1 97 . 1 1 8 8 LYS HB3 H 1 1.428 0.002 . 1 . . . . . . . . 6241 1 98 . 1 1 8 8 LYS CG C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 99 . 1 1 8 8 LYS HG2 H 1 1.329 0.002 . 1 . . . . . . . . 6241 1 100 . 1 1 8 8 LYS HG3 H 1 1.088 0.004 . 1 . . . . . . . . 6241 1 101 . 1 1 8 8 LYS CD C 13 29.089 0.080 . 1 . . . . . . . . 6241 1 102 . 1 1 8 8 LYS HD2 H 1 1.571 0.020 . 1 . . . . . . . . 6241 1 103 . 1 1 8 8 LYS HD3 H 1 1.571 0.020 . 1 . . . . . . . . 6241 1 104 . 1 1 8 8 LYS CE C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 105 . 1 1 8 8 LYS HE2 H 1 2.954 0.020 . 1 . . . . . . . . 6241 1 106 . 1 1 8 8 LYS HE3 H 1 2.954 0.020 . 1 . . . . . . . . 6241 1 107 . 1 1 9 9 GLN H H 1 7.730 0.002 . 1 . . . . . . . . 6241 1 108 . 1 1 9 9 GLN N N 15 117.906 0.070 . 1 . . . . . . . . 6241 1 109 . 1 1 9 9 GLN CA C 13 54.280 0.080 . 1 . . . . . . . . 6241 1 110 . 1 1 9 9 GLN HA H 1 4.353 0.002 . 1 . . . . . . . . 6241 1 111 . 1 1 9 9 GLN C C 13 174.720 0.080 . 1 . . . . . . . . 6241 1 112 . 1 1 9 9 GLN CB C 13 32.147 0.080 . 1 . . . . . . . . 6241 1 113 . 1 1 9 9 GLN HB2 H 1 2.241 0.005 . 1 . . . . . . . . 6241 1 114 . 1 1 9 9 GLN HB3 H 1 1.843 0.002 . 1 . . . . . . . . 6241 1 115 . 1 1 9 9 GLN CG C 13 33.595 0.080 . 1 . . . . . . . . 6241 1 116 . 1 1 9 9 GLN HG2 H 1 2.322 0.020 . 1 . . . . . . . . 6241 1 117 . 1 1 9 9 GLN HG3 H 1 2.171 0.020 . 1 . . . . . . . . 6241 1 118 . 1 1 9 9 GLN NE2 N 15 112.437 0.070 . 1 . . . . . . . . 6241 1 119 . 1 1 9 9 GLN HE21 H 1 7.927 0.002 . 1 . . . . . . . . 6241 1 120 . 1 1 9 9 GLN HE22 H 1 7.138 0.020 . 1 . . . . . . . . 6241 1 121 . 1 1 10 10 GLU H H 1 8.974 0.020 . 1 . . . . . . . . 6241 1 122 . 1 1 10 10 GLU N N 15 124.625 0.070 . 1 . . . . . . . . 6241 1 123 . 1 1 10 10 GLU CA C 13 56.010 0.080 . 1 . . . . . . . . 6241 1 124 . 1 1 10 10 GLU HA H 1 4.496 0.003 . 1 . . . . . . . . 6241 1 125 . 1 1 10 10 GLU C C 13 176.300 0.080 . 1 . . . . . . . . 6241 1 126 . 1 1 10 10 GLU CB C 13 30.859 0.080 . 1 . . . . . . . . 6241 1 127 . 1 1 10 10 GLU HB2 H 1 2.110 0.001 . 1 . . . . . . . . 6241 1 128 . 1 1 10 10 GLU HB3 H 1 1.984 0.002 . 1 . . . . . . . . 6241 1 129 . 1 1 10 10 GLU CG C 13 36.010 0.080 . 1 . . . . . . . . 6241 1 130 . 1 1 10 10 GLU HG2 H 1 2.246 0.020 . 1 . . . . . . . . 6241 1 131 . 1 1 10 10 GLU HG3 H 1 2.246 0.020 . 1 . . . . . . . . 6241 1 132 . 1 1 11 11 GLY H H 1 8.558 0.020 . 1 . . . . . . . . 6241 1 133 . 1 1 11 11 GLY N N 15 112.124 0.070 . 1 . . . . . . . . 6241 1 134 . 1 1 11 11 GLY CA C 13 45.506 0.080 . 1 . . . . . . . . 6241 1 135 . 1 1 11 11 GLY HA2 H 1 4.135 0.001 . 1 . . . . . . . . 6241 1 136 . 1 1 11 11 GLY HA3 H 1 4.066 0.001 . 1 . . . . . . . . 6241 1 137 . 1 1 11 11 GLY C C 13 174.530 0.080 . 1 . . . . . . . . 6241 1 138 . 1 1 12 12 SER H H 1 8.638 0.002 . 1 . . . . . . . . 6241 1 139 . 1 1 12 12 SER N N 15 117.281 0.070 . 1 . . . . . . . . 6241 1 140 . 1 1 12 12 SER CA C 13 59.460 0.080 . 1 . . . . . . . . 6241 1 141 . 1 1 12 12 SER HA H 1 4.489 0.005 . 1 . . . . . . . . 6241 1 142 . 1 1 12 12 SER C C 13 174.720 0.080 . 1 . . . . . . . . 6241 1 143 . 1 1 12 12 SER CB C 13 64.080 0.080 . 1 . . . . . . . . 6241 1 144 . 1 1 12 12 SER HB2 H 1 4.030 0.020 . 1 . . . . . . . . 6241 1 145 . 1 1 12 12 SER HB3 H 1 3.952 0.020 . 1 . . . . . . . . 6241 1 146 . 1 1 13 13 LEU H H 1 8.071 0.003 . 1 . . . . . . . . 6241 1 147 . 1 1 13 13 LEU N N 15 123.218 0.070 . 1 . . . . . . . . 6241 1 148 . 1 1 13 13 LEU CA C 13 55.800 0.080 . 1 . . . . . . . . 6241 1 149 . 1 1 13 13 LEU HA H 1 4.697 0.005 . 1 . . . . . . . . 6241 1 150 . 1 1 13 13 LEU C C 13 176.440 0.080 . 1 . . . . . . . . 6241 1 151 . 1 1 13 13 LEU CB C 13 41.160 0.080 . 1 . . . . . . . . 6241 1 152 . 1 1 13 13 LEU HB2 H 1 1.863 0.020 . 1 . . . . . . . . 6241 1 153 . 1 1 13 13 LEU HB3 H 1 1.863 0.020 . 1 . . . . . . . . 6241 1 154 . 1 1 13 13 LEU CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 155 . 1 1 13 13 LEU CD1 C 13 25.226 0.080 . 1 . . . . . . . . 6241 1 156 . 1 1 13 13 LEU HD11 H 1 1.128 0.002 . 1 . . . . . . . . 6241 1 157 . 1 1 13 13 LEU HD12 H 1 1.128 0.002 . 1 . . . . . . . . 6241 1 158 . 1 1 13 13 LEU HD13 H 1 1.128 0.002 . 1 . . . . . . . . 6241 1 159 . 1 1 13 13 LEU CD2 C 13 24.582 0.080 . 1 . . . . . . . . 6241 1 160 . 1 1 13 13 LEU HD21 H 1 1.014 0.002 . 1 . . . . . . . . 6241 1 161 . 1 1 13 13 LEU HD22 H 1 1.014 0.002 . 1 . . . . . . . . 6241 1 162 . 1 1 13 13 LEU HD23 H 1 1.014 0.002 . 1 . . . . . . . . 6241 1 163 . 1 1 13 13 LEU HG H 1 1.886 0.001 . 1 . . . . . . . . 6241 1 164 . 1 1 14 14 CYS H H 1 9.280 0.003 . 1 . . . . . . . . 6241 1 165 . 1 1 14 14 CYS N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 166 . 1 1 14 14 CYS CA C 13 58.830 0.080 . 1 . . . . . . . . 6241 1 167 . 1 1 14 14 CYS HA H 1 4.742 0.020 . 1 . . . . . . . . 6241 1 168 . 1 1 14 14 CYS C C 13 173.940 0.080 . 1 . . . . . . . . 6241 1 169 . 1 1 14 14 CYS CB C 13 30.537 0.080 . 1 . . . . . . . . 6241 1 170 . 1 1 14 14 CYS HB2 H 1 3.460 0.000 . 1 . . . . . . . . 6241 1 171 . 1 1 14 14 CYS HB3 H 1 3.373 0.020 . 1 . . . . . . . . 6241 1 172 . 1 1 15 15 ALA H H 1 8.876 0.003 . 1 . . . . . . . . 6241 1 173 . 1 1 15 15 ALA N N 15 126.812 0.070 . 1 . . . . . . . . 6241 1 174 . 1 1 15 15 ALA CA C 13 56.400 0.080 . 1 . . . . . . . . 6241 1 175 . 1 1 15 15 ALA HA H 1 3.682 0.002 . 1 . . . . . . . . 6241 1 176 . 1 1 15 15 ALA C C 13 177.730 0.080 . 1 . . . . . . . . 6241 1 177 . 1 1 15 15 ALA CB C 13 19.109 0.080 . 1 . . . . . . . . 6241 1 178 . 1 1 15 15 ALA HB1 H 1 1.005 0.020 . 1 . . . . . . . . 6241 1 179 . 1 1 15 15 ALA HB2 H 1 1.005 0.020 . 1 . . . . . . . . 6241 1 180 . 1 1 15 15 ALA HB3 H 1 1.005 0.020 . 1 . . . . . . . . 6241 1 181 . 1 1 16 16 GLN H H 1 8.913 0.020 . 1 . . . . . . . . 6241 1 182 . 1 1 16 16 GLN N N 15 116.031 0.070 . 1 . . . . . . . . 6241 1 183 . 1 1 16 16 GLN CA C 13 58.680 0.080 . 1 . . . . . . . . 6241 1 184 . 1 1 16 16 GLN HA H 1 3.574 0.002 . 1 . . . . . . . . 6241 1 185 . 1 1 16 16 GLN C C 13 175.760 0.080 . 1 . . . . . . . . 6241 1 186 . 1 1 16 16 GLN CB C 13 26.352 0.080 . 1 . . . . . . . . 6241 1 187 . 1 1 16 16 GLN HB2 H 1 1.748 0.003 . 1 . . . . . . . . 6241 1 188 . 1 1 16 16 GLN HB3 H 1 1.395 0.001 . 1 . . . . . . . . 6241 1 189 . 1 1 16 16 GLN CG C 13 32.469 0.080 . 1 . . . . . . . . 6241 1 190 . 1 1 16 16 GLN HG2 H 1 2.217 0.002 . 1 . . . . . . . . 6241 1 191 . 1 1 16 16 GLN HG3 H 1 1.788 0.001 . 1 . . . . . . . . 6241 1 192 . 1 1 16 16 GLN NE2 N 15 110.090 0.070 . 1 . . . . . . . . 6241 1 193 . 1 1 16 16 GLN HE21 H 1 7.656 0.020 . 1 . . . . . . . . 6241 1 194 . 1 1 16 16 GLN HE22 H 1 6.091 0.020 . 1 . . . . . . . . 6241 1 195 . 1 1 17 17 HIS H H 1 6.926 0.003 . 1 . . . . . . . . 6241 1 196 . 1 1 17 17 HIS N N 15 118.531 0.070 . 1 . . . . . . . . 6241 1 197 . 1 1 17 17 HIS CA C 13 57.410 0.080 . 1 . . . . . . . . 6241 1 198 . 1 1 17 17 HIS HA H 1 4.847 0.020 . 1 . . . . . . . . 6241 1 199 . 1 1 17 17 HIS C C 13 176.300 0.080 . 1 . . . . . . . . 6241 1 200 . 1 1 17 17 HIS CB C 13 27.801 0.080 . 1 . . . . . . . . 6241 1 201 . 1 1 17 17 HIS HB2 H 1 3.423 0.002 . 1 . . . . . . . . 6241 1 202 . 1 1 17 17 HIS HB3 H 1 3.181 0.004 . 1 . . . . . . . . 6241 1 203 . 1 1 18 18 CYS H H 1 8.297 0.020 . 1 . . . . . . . . 6241 1 204 . 1 1 18 18 CYS N N 15 119.625 0.070 . 1 . . . . . . . . 6241 1 205 . 1 1 18 18 CYS CA C 13 61.400 0.080 . 1 . . . . . . . . 6241 1 206 . 1 1 18 18 CYS HA H 1 4.504 0.002 . 1 . . . . . . . . 6241 1 207 . 1 1 18 18 CYS C C 13 173.870 0.080 . 1 . . . . . . . . 6241 1 208 . 1 1 18 18 CYS CB C 13 26.352 0.080 . 1 . . . . . . . . 6241 1 209 . 1 1 18 18 CYS HB2 H 1 3.072 0.001 . 1 . . . . . . . . 6241 1 210 . 1 1 18 18 CYS HB3 H 1 2.936 0.002 . 1 . . . . . . . . 6241 1 211 . 1 1 19 19 LEU H H 1 7.401 0.004 . 1 . . . . . . . . 6241 1 212 . 1 1 19 19 LEU N N 15 118.218 0.070 . 1 . . . . . . . . 6241 1 213 . 1 1 19 19 LEU CA C 13 57.830 0.080 . 1 . . . . . . . . 6241 1 214 . 1 1 19 19 LEU HA H 1 3.815 0.005 . 1 . . . . . . . . 6241 1 215 . 1 1 19 19 LEU C C 13 177.830 0.080 . 1 . . . . . . . . 6241 1 216 . 1 1 19 19 LEU CB C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 217 . 1 1 19 19 LEU HB2 H 1 1.404 0.001 . 1 . . . . . . . . 6241 1 218 . 1 1 19 19 LEU HB3 H 1 0.951 0.001 . 1 . . . . . . . . 6241 1 219 . 1 1 19 19 LEU CG C 13 25.869 0.080 . 1 . . . . . . . . 6241 1 220 . 1 1 19 19 LEU CD1 C 13 22.007 0.080 . 1 . . . . . . . . 6241 1 221 . 1 1 19 19 LEU HD11 H 1 0.323 0.020 . 1 . . . . . . . . 6241 1 222 . 1 1 19 19 LEU HD12 H 1 0.323 0.020 . 1 . . . . . . . . 6241 1 223 . 1 1 19 19 LEU HD13 H 1 0.323 0.020 . 1 . . . . . . . . 6241 1 224 . 1 1 19 19 LEU CD2 C 13 25.226 0.080 . 1 . . . . . . . . 6241 1 225 . 1 1 19 19 LEU HD21 H 1 -0.273 0.001 . 1 . . . . . . . . 6241 1 226 . 1 1 19 19 LEU HD22 H 1 -0.273 0.001 . 1 . . . . . . . . 6241 1 227 . 1 1 19 19 LEU HD23 H 1 -0.273 0.001 . 1 . . . . . . . . 6241 1 228 . 1 1 19 19 LEU HG H 1 1.423 0.001 . 1 . . . . . . . . 6241 1 229 . 1 1 20 20 ASN H H 1 8.514 0.020 . 1 . . . . . . . . 6241 1 230 . 1 1 20 20 ASN N N 15 120.093 0.070 . 1 . . . . . . . . 6241 1 231 . 1 1 20 20 ASN CA C 13 55.880 0.080 . 1 . . . . . . . . 6241 1 232 . 1 1 20 20 ASN HA H 1 5.013 0.020 . 1 . . . . . . . . 6241 1 233 . 1 1 20 20 ASN C C 13 178.200 0.080 . 1 . . . . . . . . 6241 1 234 . 1 1 20 20 ASN CB C 13 36.975 0.080 . 1 . . . . . . . . 6241 1 235 . 1 1 20 20 ASN HB2 H 1 3.317 0.002 . 1 . . . . . . . . 6241 1 236 . 1 1 20 20 ASN HB3 H 1 2.990 0.004 . 1 . . . . . . . . 6241 1 237 . 1 1 20 20 ASN ND2 N 15 111.500 0.070 . 1 . . . . . . . . 6241 1 238 . 1 1 20 20 ASN HD21 H 1 9.094 0.002 . 1 . . . . . . . . 6241 1 239 . 1 1 20 20 ASN HD22 H 1 7.266 0.020 . 1 . . . . . . . . 6241 1 240 . 1 1 21 21 ASN H H 1 9.074 0.020 . 1 . . . . . . . . 6241 1 241 . 1 1 21 21 ASN N N 15 120.093 0.070 . 1 . . . . . . . . 6241 1 242 . 1 1 21 21 ASN CA C 13 56.010 0.080 . 1 . . . . . . . . 6241 1 243 . 1 1 21 21 ASN HA H 1 4.922 0.020 . 1 . . . . . . . . 6241 1 244 . 1 1 21 21 ASN CB C 13 36.975 0.080 . 1 . . . . . . . . 6241 1 245 . 1 1 21 21 ASN HB2 H 1 3.356 0.003 . 1 . . . . . . . . 6241 1 246 . 1 1 21 21 ASN HB3 H 1 2.872 0.002 . 1 . . . . . . . . 6241 1 247 . 1 1 21 21 ASN ND2 N 15 104.781 0.070 . 1 . . . . . . . . 6241 1 248 . 1 1 21 21 ASN HD21 H 1 7.012 0.003 . 1 . . . . . . . . 6241 1 249 . 1 1 21 21 ASN HD22 H 1 7.012 0.020 . 1 . . . . . . . . 6241 1 250 . 1 1 22 22 LEU H H 1 8.092 0.003 . 1 . . . . . . . . 6241 1 251 . 1 1 22 22 LEU N N 15 121.500 0.070 . 1 . . . . . . . . 6241 1 252 . 1 1 22 22 LEU CA C 13 59.320 0.080 . 1 . . . . . . . . 6241 1 253 . 1 1 22 22 LEU HA H 1 4.045 0.002 . 1 . . . . . . . . 6241 1 254 . 1 1 22 22 LEU C C 13 176.600 0.080 . 1 . . . . . . . . 6241 1 255 . 1 1 22 22 LEU CB C 13 40.999 0.080 . 1 . . . . . . . . 6241 1 256 . 1 1 22 22 LEU HB2 H 1 2.249 0.001 . 1 . . . . . . . . 6241 1 257 . 1 1 22 22 LEU HB3 H 1 1.811 0.002 . 1 . . . . . . . . 6241 1 258 . 1 1 22 22 LEU CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 259 . 1 1 22 22 LEU CD1 C 13 23.455 0.080 . 1 . . . . . . . . 6241 1 260 . 1 1 22 22 LEU HD11 H 1 1.268 0.020 . 1 . . . . . . . . 6241 1 261 . 1 1 22 22 LEU HD12 H 1 1.268 0.020 . 1 . . . . . . . . 6241 1 262 . 1 1 22 22 LEU HD13 H 1 1.268 0.020 . 1 . . . . . . . . 6241 1 263 . 1 1 22 22 LEU CD2 C 13 24.421 0.080 . 1 . . . . . . . . 6241 1 264 . 1 1 22 22 LEU HD21 H 1 0.981 0.001 . 1 . . . . . . . . 6241 1 265 . 1 1 22 22 LEU HD22 H 1 0.981 0.001 . 1 . . . . . . . . 6241 1 266 . 1 1 22 22 LEU HD23 H 1 0.981 0.001 . 1 . . . . . . . . 6241 1 267 . 1 1 22 22 LEU HG H 1 0.730 0.020 . 1 . . . . . . . . 6241 1 268 . 1 1 23 23 LEU H H 1 7.896 0.003 . 1 . . . . . . . . 6241 1 269 . 1 1 23 23 LEU N N 15 115.250 0.070 . 1 . . . . . . . . 6241 1 270 . 1 1 23 23 LEU CA C 13 55.700 0.080 . 1 . . . . . . . . 6241 1 271 . 1 1 23 23 LEU HA H 1 3.838 0.004 . 1 . . . . . . . . 6241 1 272 . 1 1 23 23 LEU C C 13 176.520 0.080 . 1 . . . . . . . . 6241 1 273 . 1 1 23 23 LEU CB C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 274 . 1 1 23 23 LEU HB2 H 1 1.506 0.002 . 1 . . . . . . . . 6241 1 275 . 1 1 23 23 LEU HB3 H 1 0.882 0.003 . 1 . . . . . . . . 6241 1 276 . 1 1 23 23 LEU CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 277 . 1 1 23 23 LEU CD1 C 13 24.260 0.080 . 1 . . . . . . . . 6241 1 278 . 1 1 23 23 LEU HD11 H 1 -0.261 0.020 . 1 . . . . . . . . 6241 1 279 . 1 1 23 23 LEU HD12 H 1 -0.261 0.020 . 1 . . . . . . . . 6241 1 280 . 1 1 23 23 LEU HD13 H 1 -0.261 0.020 . 1 . . . . . . . . 6241 1 281 . 1 1 23 23 LEU CD2 C 13 21.041 0.080 . 1 . . . . . . . . 6241 1 282 . 1 1 23 23 LEU HD21 H 1 -0.033 0.020 . 1 . . . . . . . . 6241 1 283 . 1 1 23 23 LEU HD22 H 1 -0.033 0.020 . 1 . . . . . . . . 6241 1 284 . 1 1 23 23 LEU HD23 H 1 -0.033 0.020 . 1 . . . . . . . . 6241 1 285 . 1 1 23 23 LEU HG H 1 1.369 0.003 . 1 . . . . . . . . 6241 1 286 . 1 1 24 24 GLN H H 1 8.438 0.020 . 1 . . . . . . . . 6241 1 287 . 1 1 24 24 GLN N N 15 116.187 0.070 . 1 . . . . . . . . 6241 1 288 . 1 1 24 24 GLN CA C 13 56.010 0.080 . 1 . . . . . . . . 6241 1 289 . 1 1 24 24 GLN HA H 1 3.496 0.001 . 1 . . . . . . . . 6241 1 290 . 1 1 24 24 GLN C C 13 173.660 0.080 . 1 . . . . . . . . 6241 1 291 . 1 1 24 24 GLN CB C 13 26.513 0.080 . 1 . . . . . . . . 6241 1 292 . 1 1 24 24 GLN HB2 H 1 2.511 0.003 . 1 . . . . . . . . 6241 1 293 . 1 1 24 24 GLN HB3 H 1 2.271 0.020 . 1 . . . . . . . . 6241 1 294 . 1 1 24 24 GLN CG C 13 34.883 0.080 . 1 . . . . . . . . 6241 1 295 . 1 1 24 24 GLN HG2 H 1 2.641 0.002 . 1 . . . . . . . . 6241 1 296 . 1 1 24 24 GLN HG3 H 1 2.185 0.002 . 1 . . . . . . . . 6241 1 297 . 1 1 25 25 GLY H H 1 7.593 0.020 . 1 . . . . . . . . 6241 1 298 . 1 1 25 25 GLY N N 15 106.187 0.070 . 1 . . . . . . . . 6241 1 299 . 1 1 25 25 GLY CA C 13 45.506 0.080 . 1 . . . . . . . . 6241 1 300 . 1 1 25 25 GLY HA2 H 1 2.978 0.002 . 1 . . . . . . . . 6241 1 301 . 1 1 25 25 GLY HA3 H 1 2.588 0.005 . 1 . . . . . . . . 6241 1 302 . 1 1 25 25 GLY C C 13 170.410 0.080 . 1 . . . . . . . . 6241 1 303 . 1 1 26 26 GLU H H 1 7.759 0.020 . 1 . . . . . . . . 6241 1 304 . 1 1 26 26 GLU N N 15 119.000 0.070 . 1 . . . . . . . . 6241 1 305 . 1 1 26 26 GLU CA C 13 54.900 0.080 . 1 . . . . . . . . 6241 1 306 . 1 1 26 26 GLU HA H 1 4.093 0.003 . 1 . . . . . . . . 6241 1 307 . 1 1 26 26 GLU C C 13 175.450 0.080 . 1 . . . . . . . . 6241 1 308 . 1 1 26 26 GLU CB C 13 28.123 0.080 . 1 . . . . . . . . 6241 1 309 . 1 1 26 26 GLU HB2 H 1 1.968 0.001 . 1 . . . . . . . . 6241 1 310 . 1 1 26 26 GLU HB3 H 1 1.777 0.001 . 1 . . . . . . . . 6241 1 311 . 1 1 26 26 GLU CG C 13 36.331 0.080 . 1 . . . . . . . . 6241 1 312 . 1 1 26 26 GLU HG2 H 1 2.400 0.008 . 1 . . . . . . . . 6241 1 313 . 1 1 26 26 GLU HG3 H 1 2.220 0.002 . 1 . . . . . . . . 6241 1 314 . 1 1 27 27 TYR H H 1 7.634 0.005 . 1 . . . . . . . . 6241 1 315 . 1 1 27 27 TYR N N 15 124.468 0.070 . 1 . . . . . . . . 6241 1 316 . 1 1 27 27 TYR CA C 13 59.570 0.080 . 1 . . . . . . . . 6241 1 317 . 1 1 27 27 TYR HA H 1 4.412 0.002 . 1 . . . . . . . . 6241 1 318 . 1 1 27 27 TYR C C 13 176.130 0.080 . 1 . . . . . . . . 6241 1 319 . 1 1 27 27 TYR CB C 13 41.321 0.080 . 1 . . . . . . . . 6241 1 320 . 1 1 27 27 TYR HB2 H 1 2.670 0.003 . 1 . . . . . . . . 6241 1 321 . 1 1 27 27 TYR HB3 H 1 2.258 0.001 . 1 . . . . . . . . 6241 1 322 . 1 1 27 27 TYR CD1 C 13 133.430 0.080 . 1 . . . . . . . . 6241 1 323 . 1 1 27 27 TYR HD1 H 1 6.777 0.020 . 1 . . . . . . . . 6241 1 324 . 1 1 27 27 TYR CD2 C 13 133.430 0.080 . 1 . . . . . . . . 6241 1 325 . 1 1 27 27 TYR HD2 H 1 6.777 0.020 . 1 . . . . . . . . 6241 1 326 . 1 1 27 27 TYR CE1 C 13 117.064 0.080 . 1 . . . . . . . . 6241 1 327 . 1 1 27 27 TYR HE1 H 1 6.357 0.020 . 1 . . . . . . . . 6241 1 328 . 1 1 27 27 TYR CE2 C 13 117.064 0.080 . 1 . . . . . . . . 6241 1 329 . 1 1 27 27 TYR HE2 H 1 6.357 0.020 . 1 . . . . . . . . 6241 1 330 . 1 1 28 28 PHE H H 1 10.207 0.001 . 1 . . . . . . . . 6241 1 331 . 1 1 28 28 PHE N N 15 119.156 0.070 . 1 . . . . . . . . 6241 1 332 . 1 1 28 28 PHE CA C 13 58.690 0.080 . 1 . . . . . . . . 6241 1 333 . 1 1 28 28 PHE HA H 1 4.754 0.002 . 1 . . . . . . . . 6241 1 334 . 1 1 28 28 PHE C C 13 174.500 0.080 . 1 . . . . . . . . 6241 1 335 . 1 1 28 28 PHE CB C 13 42.770 0.080 . 1 . . . . . . . . 6241 1 336 . 1 1 28 28 PHE HB2 H 1 2.886 0.020 . 1 . . . . . . . . 6241 1 337 . 1 1 28 28 PHE HB3 H 1 2.651 0.004 . 1 . . . . . . . . 6241 1 338 . 1 1 28 28 PHE CD1 C 13 131.978 0.080 . 1 . . . . . . . . 6241 1 339 . 1 1 28 28 PHE HD1 H 1 7.075 0.020 . 1 . . . . . . . . 6241 1 340 . 1 1 28 28 PHE CD2 C 13 131.978 0.080 . 1 . . . . . . . . 6241 1 341 . 1 1 28 28 PHE HD2 H 1 7.075 0.020 . 1 . . . . . . . . 6241 1 342 . 1 1 28 28 PHE CE1 C 13 131.186 0.080 . 1 . . . . . . . . 6241 1 343 . 1 1 28 28 PHE HE1 H 1 7.093 0.020 . 1 . . . . . . . . 6241 1 344 . 1 1 28 28 PHE CE2 C 13 131.186 0.080 . 1 . . . . . . . . 6241 1 345 . 1 1 28 28 PHE HE2 H 1 7.093 0.020 . 1 . . . . . . . . 6241 1 346 . 1 1 28 28 PHE CZ C 13 129.998 0.080 . 1 . . . . . . . . 6241 1 347 . 1 1 28 28 PHE HZ H 1 7.322 0.002 . 1 . . . . . . . . 6241 1 348 . 1 1 29 29 SER H H 1 8.489 0.006 . 1 . . . . . . . . 6241 1 349 . 1 1 29 29 SER N N 15 119.625 0.070 . 1 . . . . . . . . 6241 1 350 . 1 1 29 29 SER CA C 13 55.700 0.080 . 1 . . . . . . . . 6241 1 351 . 1 1 29 29 SER HA H 1 5.024 0.008 . 1 . . . . . . . . 6241 1 352 . 1 1 29 29 SER CB C 13 65.540 0.080 . 1 . . . . . . . . 6241 1 353 . 1 1 29 29 SER HB2 H 1 4.418 0.020 . 1 . . . . . . . . 6241 1 354 . 1 1 29 29 SER HB3 H 1 3.953 0.002 . 1 . . . . . . . . 6241 1 355 . 1 1 30 30 PRO CA C 13 65.710 0.080 . 1 . . . . . . . . 6241 1 356 . 1 1 30 30 PRO HA H 1 4.153 0.002 . 1 . . . . . . . . 6241 1 357 . 1 1 30 30 PRO C C 13 178.320 0.080 . 1 . . . . . . . . 6241 1 358 . 1 1 30 30 PRO CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 359 . 1 1 30 30 PRO HB2 H 1 2.529 0.002 . 1 . . . . . . . . 6241 1 360 . 1 1 30 30 PRO HB3 H 1 2.112 0.002 . 1 . . . . . . . . 6241 1 361 . 1 1 30 30 PRO CG C 13 28.767 0.080 . 1 . . . . . . . . 6241 1 362 . 1 1 30 30 PRO HG2 H 1 2.306 0.002 . 1 . . . . . . . . 6241 1 363 . 1 1 30 30 PRO HG3 H 1 1.942 0.001 . 1 . . . . . . . . 6241 1 364 . 1 1 30 30 PRO CD C 13 51.000 0.080 . 1 . . . . . . . . 6241 1 365 . 1 1 30 30 PRO HD2 H 1 3.968 0.020 . 1 . . . . . . . . 6241 1 366 . 1 1 30 30 PRO HD3 H 1 3.968 0.020 . 1 . . . . . . . . 6241 1 367 . 1 1 31 31 VAL H H 1 7.705 0.002 . 1 . . . . . . . . 6241 1 368 . 1 1 31 31 VAL N N 15 117.437 0.070 . 1 . . . . . . . . 6241 1 369 . 1 1 31 31 VAL CA C 13 65.750 0.080 . 1 . . . . . . . . 6241 1 370 . 1 1 31 31 VAL HA H 1 3.801 0.002 . 1 . . . . . . . . 6241 1 371 . 1 1 31 31 VAL CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 372 . 1 1 31 31 VAL HB H 1 1.920 0.001 . 1 . . . . . . . . 6241 1 373 . 1 1 31 31 VAL CG1 C 13 22.007 0.080 . 1 . . . . . . . . 6241 1 374 . 1 1 31 31 VAL HG11 H 1 1.034 0.001 . 1 . . . . . . . . 6241 1 375 . 1 1 31 31 VAL HG12 H 1 1.034 0.001 . 1 . . . . . . . . 6241 1 376 . 1 1 31 31 VAL HG13 H 1 1.034 0.001 . 1 . . . . . . . . 6241 1 377 . 1 1 31 31 VAL CG2 C 13 20.719 0.080 . 1 . . . . . . . . 6241 1 378 . 1 1 31 31 VAL HG21 H 1 0.935 0.001 . 1 . . . . . . . . 6241 1 379 . 1 1 31 31 VAL HG22 H 1 0.935 0.001 . 1 . . . . . . . . 6241 1 380 . 1 1 31 31 VAL HG23 H 1 0.935 0.001 . 1 . . . . . . . . 6241 1 381 . 1 1 32 32 GLU H H 1 7.953 0.003 . 1 . . . . . . . . 6241 1 382 . 1 1 32 32 GLU N N 15 121.187 0.070 . 1 . . . . . . . . 6241 1 383 . 1 1 32 32 GLU CA C 13 60.360 0.080 . 1 . . . . . . . . 6241 1 384 . 1 1 32 32 GLU HA H 1 4.208 0.001 . 1 . . . . . . . . 6241 1 385 . 1 1 32 32 GLU C C 13 179.500 0.080 . 1 . . . . . . . . 6241 1 386 . 1 1 32 32 GLU CB C 13 30.215 0.080 . 1 . . . . . . . . 6241 1 387 . 1 1 32 32 GLU HB2 H 1 2.445 0.020 . 1 . . . . . . . . 6241 1 388 . 1 1 32 32 GLU HB3 H 1 2.204 0.002 . 1 . . . . . . . . 6241 1 389 . 1 1 32 32 GLU CG C 13 37.136 0.080 . 1 . . . . . . . . 6241 1 390 . 1 1 32 32 GLU HG2 H 1 2.592 0.001 . 1 . . . . . . . . 6241 1 391 . 1 1 32 32 GLU HG3 H 1 2.335 0.001 . 1 . . . . . . . . 6241 1 392 . 1 1 33 33 LEU H H 1 7.283 0.008 . 1 . . . . . . . . 6241 1 393 . 1 1 33 33 LEU N N 15 116.812 0.070 . 1 . . . . . . . . 6241 1 394 . 1 1 33 33 LEU CA C 13 57.630 0.080 . 1 . . . . . . . . 6241 1 395 . 1 1 33 33 LEU HA H 1 3.829 0.003 . 1 . . . . . . . . 6241 1 396 . 1 1 33 33 LEU C C 13 178.150 0.080 . 1 . . . . . . . . 6241 1 397 . 1 1 33 33 LEU CB C 13 40.516 0.080 . 1 . . . . . . . . 6241 1 398 . 1 1 33 33 LEU HB2 H 1 1.293 0.002 . 1 . . . . . . . . 6241 1 399 . 1 1 33 33 LEU HB3 H 1 0.382 0.004 . 1 . . . . . . . . 6241 1 400 . 1 1 33 33 LEU CG C 13 26.674 0.080 . 1 . . . . . . . . 6241 1 401 . 1 1 33 33 LEU CD1 C 13 25.548 0.080 . 1 . . . . . . . . 6241 1 402 . 1 1 33 33 LEU HD11 H 1 0.136 0.020 . 1 . . . . . . . . 6241 1 403 . 1 1 33 33 LEU HD12 H 1 0.136 0.020 . 1 . . . . . . . . 6241 1 404 . 1 1 33 33 LEU HD13 H 1 0.136 0.020 . 1 . . . . . . . . 6241 1 405 . 1 1 33 33 LEU CD2 C 13 22.007 0.080 . 1 . . . . . . . . 6241 1 406 . 1 1 33 33 LEU HD21 H 1 0.091 0.001 . 1 . . . . . . . . 6241 1 407 . 1 1 33 33 LEU HD22 H 1 0.091 0.001 . 1 . . . . . . . . 6241 1 408 . 1 1 33 33 LEU HD23 H 1 0.091 0.001 . 1 . . . . . . . . 6241 1 409 . 1 1 33 33 LEU HG H 1 1.452 0.001 . 1 . . . . . . . . 6241 1 410 . 1 1 34 34 SER H H 1 8.376 0.001 . 1 . . . . . . . . 6241 1 411 . 1 1 34 34 SER N N 15 114.937 0.070 . 1 . . . . . . . . 6241 1 412 . 1 1 34 34 SER CA C 13 61.890 0.080 . 1 . . . . . . . . 6241 1 413 . 1 1 34 34 SER HA H 1 4.489 0.004 . 1 . . . . . . . . 6241 1 414 . 1 1 34 34 SER C C 13 176.770 0.080 . 1 . . . . . . . . 6241 1 415 . 1 1 34 34 SER CB C 13 62.870 0.080 . 1 . . . . . . . . 6241 1 416 . 1 1 34 34 SER HB2 H 1 4.070 0.020 . 1 . . . . . . . . 6241 1 417 . 1 1 34 34 SER HB3 H 1 3.987 0.001 . 1 . . . . . . . . 6241 1 418 . 1 1 35 35 SER H H 1 8.015 0.004 . 1 . . . . . . . . 6241 1 419 . 1 1 35 35 SER N N 15 118.218 0.070 . 1 . . . . . . . . 6241 1 420 . 1 1 35 35 SER CA C 13 61.960 0.080 . 1 . . . . . . . . 6241 1 421 . 1 1 35 35 SER HA H 1 4.353 0.002 . 1 . . . . . . . . 6241 1 422 . 1 1 35 35 SER C C 13 177.420 0.080 . 1 . . . . . . . . 6241 1 423 . 1 1 35 35 SER CB C 13 62.650 0.080 . 1 . . . . . . . . 6241 1 424 . 1 1 35 35 SER HB2 H 1 4.114 0.001 . 1 . . . . . . . . 6241 1 425 . 1 1 35 35 SER HB3 H 1 4.074 0.020 . 1 . . . . . . . . 6241 1 426 . 1 1 36 36 ILE H H 1 7.729 0.004 . 1 . . . . . . . . 6241 1 427 . 1 1 36 36 ILE N N 15 122.906 0.070 . 1 . . . . . . . . 6241 1 428 . 1 1 36 36 ILE CA C 13 65.310 0.080 . 1 . . . . . . . . 6241 1 429 . 1 1 36 36 ILE HA H 1 3.790 0.001 . 1 . . . . . . . . 6241 1 430 . 1 1 36 36 ILE C C 13 178.070 0.080 . 1 . . . . . . . . 6241 1 431 . 1 1 36 36 ILE CB C 13 38.263 0.080 . 1 . . . . . . . . 6241 1 432 . 1 1 36 36 ILE HB H 1 1.941 0.020 . 1 . . . . . . . . 6241 1 433 . 1 1 36 36 ILE CG2 C 13 21.041 0.080 . 1 . . . . . . . . 6241 1 434 . 1 1 36 36 ILE HG21 H 1 0.653 0.001 . 1 . . . . . . . . 6241 1 435 . 1 1 36 36 ILE HG22 H 1 0.653 0.001 . 1 . . . . . . . . 6241 1 436 . 1 1 36 36 ILE HG23 H 1 0.653 0.001 . 1 . . . . . . . . 6241 1 437 . 1 1 36 36 ILE CG1 C 13 28.767 0.080 . 1 . . . . . . . . 6241 1 438 . 1 1 36 36 ILE HG12 H 1 1.980 0.000 . 1 . . . . . . . . 6241 1 439 . 1 1 36 36 ILE HG13 H 1 1.077 0.020 . 1 . . . . . . . . 6241 1 440 . 1 1 36 36 ILE CD1 C 13 13.315 0.080 . 1 . . . . . . . . 6241 1 441 . 1 1 36 36 ILE HD11 H 1 0.857 0.001 . 1 . . . . . . . . 6241 1 442 . 1 1 36 36 ILE HD12 H 1 0.857 0.001 . 1 . . . . . . . . 6241 1 443 . 1 1 36 36 ILE HD13 H 1 0.857 0.001 . 1 . . . . . . . . 6241 1 444 . 1 1 37 37 ALA H H 1 8.261 0.005 . 1 . . . . . . . . 6241 1 445 . 1 1 37 37 ALA N N 15 121.500 0.070 . 1 . . . . . . . . 6241 1 446 . 1 1 37 37 ALA CA C 13 55.920 0.080 . 1 . . . . . . . . 6241 1 447 . 1 1 37 37 ALA HA H 1 3.851 0.002 . 1 . . . . . . . . 6241 1 448 . 1 1 37 37 ALA C C 13 178.800 0.080 . 1 . . . . . . . . 6241 1 449 . 1 1 37 37 ALA CB C 13 18.627 0.080 . 1 . . . . . . . . 6241 1 450 . 1 1 37 37 ALA HB1 H 1 1.562 0.020 . 1 . . . . . . . . 6241 1 451 . 1 1 37 37 ALA HB2 H 1 1.562 0.020 . 1 . . . . . . . . 6241 1 452 . 1 1 37 37 ALA HB3 H 1 1.562 0.020 . 1 . . . . . . . . 6241 1 453 . 1 1 38 38 HIS H H 1 8.586 0.003 . 1 . . . . . . . . 6241 1 454 . 1 1 38 38 HIS N N 15 114.937 0.070 . 1 . . . . . . . . 6241 1 455 . 1 1 38 38 HIS CA C 13 58.830 0.080 . 1 . . . . . . . . 6241 1 456 . 1 1 38 38 HIS HA H 1 4.524 0.003 . 1 . . . . . . . . 6241 1 457 . 1 1 38 38 HIS C C 13 177.440 0.080 . 1 . . . . . . . . 6241 1 458 . 1 1 38 38 HIS CB C 13 28.606 0.080 . 1 . . . . . . . . 6241 1 459 . 1 1 38 38 HIS HB2 H 1 3.409 0.020 . 1 . . . . . . . . 6241 1 460 . 1 1 38 38 HIS HB3 H 1 3.409 0.020 . 1 . . . . . . . . 6241 1 461 . 1 1 38 38 HIS CD2 C 13 119.968 0.080 . 1 . . . . . . . . 6241 1 462 . 1 1 38 38 HIS HD2 H 1 7.342 0.020 . 1 . . . . . . . . 6241 1 463 . 1 1 38 38 HIS CE1 C 13 136.730 0.000 . 1 . . . . . . . . 6241 1 464 . 1 1 38 38 HIS HE1 H 1 8.460 0.000 . 1 . . . . . . . . 6241 1 465 . 1 1 39 39 GLN H H 1 8.122 0.003 . 1 . . . . . . . . 6241 1 466 . 1 1 39 39 GLN N N 15 120.875 0.070 . 1 . . . . . . . . 6241 1 467 . 1 1 39 39 GLN CA C 13 57.940 0.080 . 1 . . . . . . . . 6241 1 468 . 1 1 39 39 GLN HA H 1 4.087 0.020 . 1 . . . . . . . . 6241 1 469 . 1 1 39 39 GLN C C 13 178.650 0.080 . 1 . . . . . . . . 6241 1 470 . 1 1 39 39 GLN CB C 13 28.123 0.080 . 1 . . . . . . . . 6241 1 471 . 1 1 39 39 GLN HB2 H 1 2.269 0.020 . 1 . . . . . . . . 6241 1 472 . 1 1 39 39 GLN HB3 H 1 2.269 0.020 . 1 . . . . . . . . 6241 1 473 . 1 1 39 39 GLN CG C 13 33.595 0.080 . 1 . . . . . . . . 6241 1 474 . 1 1 39 39 GLN HG2 H 1 2.527 0.004 . 1 . . . . . . . . 6241 1 475 . 1 1 39 39 GLN HG3 H 1 2.390 0.006 . 1 . . . . . . . . 6241 1 476 . 1 1 39 39 GLN NE2 N 15 112.124 0.070 . 1 . . . . . . . . 6241 1 477 . 1 1 39 39 GLN HE21 H 1 7.592 0.020 . 1 . . . . . . . . 6241 1 478 . 1 1 39 39 GLN HE22 H 1 6.813 0.020 . 1 . . . . . . . . 6241 1 479 . 1 1 40 40 LEU H H 1 8.219 0.003 . 1 . . . . . . . . 6241 1 480 . 1 1 40 40 LEU N N 15 120.562 0.070 . 1 . . . . . . . . 6241 1 481 . 1 1 40 40 LEU CA C 13 57.900 0.080 . 1 . . . . . . . . 6241 1 482 . 1 1 40 40 LEU HA H 1 4.089 0.002 . 1 . . . . . . . . 6241 1 483 . 1 1 40 40 LEU C C 13 180.130 0.080 . 1 . . . . . . . . 6241 1 484 . 1 1 40 40 LEU CB C 13 42.126 0.080 . 1 . . . . . . . . 6241 1 485 . 1 1 40 40 LEU HB2 H 1 1.881 0.002 . 1 . . . . . . . . 6241 1 486 . 1 1 40 40 LEU HB3 H 1 1.440 0.001 . 1 . . . . . . . . 6241 1 487 . 1 1 40 40 LEU CG C 13 26.674 0.080 . 1 . . . . . . . . 6241 1 488 . 1 1 40 40 LEU CD1 C 13 22.811 0.080 . 1 . . . . . . . . 6241 1 489 . 1 1 40 40 LEU HD11 H 1 0.802 0.003 . 1 . . . . . . . . 6241 1 490 . 1 1 40 40 LEU HD12 H 1 0.802 0.003 . 1 . . . . . . . . 6241 1 491 . 1 1 40 40 LEU HD13 H 1 0.802 0.003 . 1 . . . . . . . . 6241 1 492 . 1 1 40 40 LEU CD2 C 13 26.835 0.080 . 1 . . . . . . . . 6241 1 493 . 1 1 40 40 LEU HD21 H 1 0.656 0.001 . 1 . . . . . . . . 6241 1 494 . 1 1 40 40 LEU HD22 H 1 0.656 0.001 . 1 . . . . . . . . 6241 1 495 . 1 1 40 40 LEU HD23 H 1 0.656 0.001 . 1 . . . . . . . . 6241 1 496 . 1 1 40 40 LEU HG H 1 1.783 0.001 . 1 . . . . . . . . 6241 1 497 . 1 1 41 41 ASP H H 1 8.461 0.002 . 1 . . . . . . . . 6241 1 498 . 1 1 41 41 ASP N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 499 . 1 1 41 41 ASP CA C 13 57.500 0.080 . 1 . . . . . . . . 6241 1 500 . 1 1 41 41 ASP HA H 1 4.469 0.001 . 1 . . . . . . . . 6241 1 501 . 1 1 41 41 ASP C C 13 178.940 0.080 . 1 . . . . . . . . 6241 1 502 . 1 1 41 41 ASP CB C 13 40.194 0.080 . 1 . . . . . . . . 6241 1 503 . 1 1 41 41 ASP HB2 H 1 2.980 0.003 . 1 . . . . . . . . 6241 1 504 . 1 1 41 41 ASP HB3 H 1 2.790 0.003 . 1 . . . . . . . . 6241 1 505 . 1 1 42 42 GLU H H 1 8.216 0.008 . 1 . . . . . . . . 6241 1 506 . 1 1 42 42 GLU N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 507 . 1 1 42 42 GLU CA C 13 59.100 0.080 . 1 . . . . . . . . 6241 1 508 . 1 1 42 42 GLU HA H 1 4.100 0.001 . 1 . . . . . . . . 6241 1 509 . 1 1 42 42 GLU C C 13 178.700 0.080 . 1 . . . . . . . . 6241 1 510 . 1 1 42 42 GLU CB C 13 29.571 0.080 . 1 . . . . . . . . 6241 1 511 . 1 1 42 42 GLU HB2 H 1 2.211 0.020 . 1 . . . . . . . . 6241 1 512 . 1 1 42 42 GLU HB3 H 1 2.107 0.020 . 1 . . . . . . . . 6241 1 513 . 1 1 42 42 GLU CG C 13 36.492 0.080 . 1 . . . . . . . . 6241 1 514 . 1 1 42 42 GLU HG2 H 1 2.536 0.002 . 1 . . . . . . . . 6241 1 515 . 1 1 42 42 GLU HG3 H 1 2.277 0.001 . 1 . . . . . . . . 6241 1 516 . 1 1 43 43 GLU H H 1 8.218 0.002 . 1 . . . . . . . . 6241 1 517 . 1 1 43 43 GLU N N 15 120.250 0.070 . 1 . . . . . . . . 6241 1 518 . 1 1 43 43 GLU CA C 13 59.550 0.080 . 1 . . . . . . . . 6241 1 519 . 1 1 43 43 GLU HA H 1 4.039 0.001 . 1 . . . . . . . . 6241 1 520 . 1 1 43 43 GLU C C 13 179.510 0.080 . 1 . . . . . . . . 6241 1 521 . 1 1 43 43 GLU CB C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 522 . 1 1 43 43 GLU HB2 H 1 2.210 0.001 . 1 . . . . . . . . 6241 1 523 . 1 1 43 43 GLU HB3 H 1 2.109 0.002 . 1 . . . . . . . . 6241 1 524 . 1 1 43 43 GLU CG C 13 36.500 0.080 . 1 . . . . . . . . 6241 1 525 . 1 1 43 43 GLU HG2 H 1 2.536 0.020 . 1 . . . . . . . . 6241 1 526 . 1 1 43 43 GLU HG3 H 1 2.536 0.020 . 1 . . . . . . . . 6241 1 527 . 1 1 44 44 GLU H H 1 8.099 0.005 . 1 . . . . . . . . 6241 1 528 . 1 1 44 44 GLU N N 15 120.250 0.070 . 1 . . . . . . . . 6241 1 529 . 1 1 44 44 GLU CA C 13 59.260 0.080 . 1 . . . . . . . . 6241 1 530 . 1 1 44 44 GLU HA H 1 4.129 0.003 . 1 . . . . . . . . 6241 1 531 . 1 1 44 44 GLU CB C 13 29.250 0.080 . 1 . . . . . . . . 6241 1 532 . 1 1 44 44 GLU HB2 H 1 2.219 0.020 . 1 . . . . . . . . 6241 1 533 . 1 1 44 44 GLU HB3 H 1 2.114 0.001 . 1 . . . . . . . . 6241 1 534 . 1 1 44 44 GLU CG C 13 36.010 0.080 . 1 . . . . . . . . 6241 1 535 . 1 1 44 44 GLU HG2 H 1 2.353 0.020 . 1 . . . . . . . . 6241 1 536 . 1 1 44 44 GLU HG3 H 1 2.353 0.020 . 1 . . . . . . . . 6241 1 537 . 1 1 45 45 ARG CA C 13 59.900 0.080 . 1 . . . . . . . . 6241 1 538 . 1 1 45 45 ARG HA H 1 3.939 0.002 . 1 . . . . . . . . 6241 1 539 . 1 1 45 45 ARG C C 13 179.190 0.080 . 1 . . . . . . . . 6241 1 540 . 1 1 45 45 ARG CB C 13 29.732 0.080 . 1 . . . . . . . . 6241 1 541 . 1 1 45 45 ARG HB2 H 1 2.011 0.020 . 1 . . . . . . . . 6241 1 542 . 1 1 45 45 ARG HB3 H 1 2.011 0.020 . 1 . . . . . . . . 6241 1 543 . 1 1 45 45 ARG CG C 13 27.962 0.080 . 1 . . . . . . . . 6241 1 544 . 1 1 45 45 ARG HG2 H 1 1.803 0.003 . 1 . . . . . . . . 6241 1 545 . 1 1 45 45 ARG HG3 H 1 1.679 0.001 . 1 . . . . . . . . 6241 1 546 . 1 1 45 45 ARG HD2 H 1 3.270 0.000 . 1 . . . . . . . . 6241 1 547 . 1 1 45 45 ARG HD3 H 1 3.216 0.020 . 1 . . . . . . . . 6241 1 548 . 1 1 45 45 ARG NE N 15 83.840 0.000 . 1 . . . . . . . . 6241 1 549 . 1 1 45 45 ARG HE H 1 7.770 0.000 . 1 . . . . . . . . 6241 1 550 . 1 1 46 46 MET H H 1 8.219 0.001 . 1 . . . . . . . . 6241 1 551 . 1 1 46 46 MET N N 15 117.910 0.070 . 1 . . . . . . . . 6241 1 552 . 1 1 46 46 MET CA C 13 58.140 0.080 . 1 . . . . . . . . 6241 1 553 . 1 1 46 46 MET HA H 1 4.201 0.002 . 1 . . . . . . . . 6241 1 554 . 1 1 46 46 MET C C 13 178.560 0.080 . 1 . . . . . . . . 6241 1 555 . 1 1 46 46 MET CB C 13 32.308 0.080 . 1 . . . . . . . . 6241 1 556 . 1 1 46 46 MET HB2 H 1 2.208 0.018 . 1 . . . . . . . . 6241 1 557 . 1 1 46 46 MET HB3 H 1 2.149 0.020 . 1 . . . . . . . . 6241 1 558 . 1 1 46 46 MET CG C 13 32.308 0.080 . 1 . . . . . . . . 6241 1 559 . 1 1 46 46 MET HG2 H 1 2.755 0.001 . 1 . . . . . . . . 6241 1 560 . 1 1 46 46 MET HG3 H 1 2.587 0.001 . 1 . . . . . . . . 6241 1 561 . 1 1 46 46 MET CE C 13 16.850 0.000 . 1 . . . . . . . . 6241 1 562 . 1 1 46 46 MET HE1 H 1 2.093 0.000 . 1 . . . . . . . . 6241 1 563 . 1 1 46 46 MET HE2 H 1 2.093 0.000 . 1 . . . . . . . . 6241 1 564 . 1 1 46 46 MET HE3 H 1 2.093 0.000 . 1 . . . . . . . . 6241 1 565 . 1 1 47 47 ARG H H 1 7.883 0.001 . 1 . . . . . . . . 6241 1 566 . 1 1 47 47 ARG N N 15 120.070 0.070 . 1 . . . . . . . . 6241 1 567 . 1 1 47 47 ARG CA C 13 59.000 0.080 . 1 . . . . . . . . 6241 1 568 . 1 1 47 47 ARG HA H 1 4.141 0.020 . 1 . . . . . . . . 6241 1 569 . 1 1 47 47 ARG C C 13 179.260 0.080 . 1 . . . . . . . . 6241 1 570 . 1 1 47 47 ARG CB C 13 30.376 0.080 . 1 . . . . . . . . 6241 1 571 . 1 1 47 47 ARG HB2 H 1 1.966 0.020 . 1 . . . . . . . . 6241 1 572 . 1 1 47 47 ARG HB3 H 1 1.913 0.001 . 1 . . . . . . . . 6241 1 573 . 1 1 47 47 ARG CG C 13 27.962 0.080 . 1 . . . . . . . . 6241 1 574 . 1 1 47 47 ARG HG2 H 1 1.778 0.002 . 1 . . . . . . . . 6241 1 575 . 1 1 47 47 ARG HG3 H 1 1.609 0.001 . 1 . . . . . . . . 6241 1 576 . 1 1 47 47 ARG CD C 13 43.413 0.080 . 1 . . . . . . . . 6241 1 577 . 1 1 47 47 ARG HD2 H 1 3.232 0.020 . 1 . . . . . . . . 6241 1 578 . 1 1 47 47 ARG HD3 H 1 3.232 0.020 . 1 . . . . . . . . 6241 1 579 . 1 1 48 48 MET H H 1 8.062 0.008 . 1 . . . . . . . . 6241 1 580 . 1 1 48 48 MET N N 15 118.530 0.070 . 1 . . . . . . . . 6241 1 581 . 1 1 48 48 MET CA C 13 56.990 0.080 . 1 . . . . . . . . 6241 1 582 . 1 1 48 48 MET HA H 1 4.282 0.002 . 1 . . . . . . . . 6241 1 583 . 1 1 48 48 MET C C 13 175.890 0.080 . 1 . . . . . . . . 6241 1 584 . 1 1 48 48 MET CB C 13 30.215 0.080 . 1 . . . . . . . . 6241 1 585 . 1 1 48 48 MET HB2 H 1 2.068 0.002 . 1 . . . . . . . . 6241 1 586 . 1 1 48 48 MET HB3 H 1 1.973 0.002 . 1 . . . . . . . . 6241 1 587 . 1 1 48 48 MET CG C 13 32.147 0.080 . 1 . . . . . . . . 6241 1 588 . 1 1 48 48 MET HG2 H 1 2.440 0.020 . 1 . . . . . . . . 6241 1 589 . 1 1 48 48 MET HG3 H 1 2.361 0.003 . 1 . . . . . . . . 6241 1 590 . 1 1 48 48 MET CE C 13 16.856 0.000 . 1 . . . . . . . . 6241 1 591 . 1 1 48 48 MET HE1 H 1 1.977 0.000 . 1 . . . . . . . . 6241 1 592 . 1 1 48 48 MET HE2 H 1 1.977 0.000 . 1 . . . . . . . . 6241 1 593 . 1 1 48 48 MET HE3 H 1 1.977 0.000 . 1 . . . . . . . . 6241 1 594 . 1 1 49 49 ALA H H 1 8.019 0.002 . 1 . . . . . . . . 6241 1 595 . 1 1 49 49 ALA N N 15 122.437 0.070 . 1 . . . . . . . . 6241 1 596 . 1 1 49 49 ALA CA C 13 53.540 0.080 . 1 . . . . . . . . 6241 1 597 . 1 1 49 49 ALA HA H 1 4.026 0.002 . 1 . . . . . . . . 6241 1 598 . 1 1 49 49 ALA C C 13 179.090 0.080 . 1 . . . . . . . . 6241 1 599 . 1 1 49 49 ALA CB C 13 18.627 0.080 . 1 . . . . . . . . 6241 1 600 . 1 1 49 49 ALA HB1 H 1 1.421 0.020 . 1 . . . . . . . . 6241 1 601 . 1 1 49 49 ALA HB2 H 1 1.421 0.020 . 1 . . . . . . . . 6241 1 602 . 1 1 49 49 ALA HB3 H 1 1.421 0.020 . 1 . . . . . . . . 6241 1 603 . 1 1 50 50 GLU H H 1 7.883 0.003 . 1 . . . . . . . . 6241 1 604 . 1 1 50 50 GLU N N 15 119.000 0.070 . 1 . . . . . . . . 6241 1 605 . 1 1 50 50 GLU CA C 13 57.650 0.080 . 1 . . . . . . . . 6241 1 606 . 1 1 50 50 GLU HA H 1 4.179 0.006 . 1 . . . . . . . . 6241 1 607 . 1 1 50 50 GLU C C 13 177.630 0.080 . 1 . . . . . . . . 6241 1 608 . 1 1 50 50 GLU CB C 13 29.893 0.080 . 1 . . . . . . . . 6241 1 609 . 1 1 50 50 GLU HB2 H 1 2.090 0.020 . 1 . . . . . . . . 6241 1 610 . 1 1 50 50 GLU HB3 H 1 2.090 0.020 . 1 . . . . . . . . 6241 1 611 . 1 1 50 50 GLU CG C 13 36.170 0.080 . 1 . . . . . . . . 6241 1 612 . 1 1 50 50 GLU HG2 H 1 2.437 0.020 . 1 . . . . . . . . 6241 1 613 . 1 1 50 50 GLU HG3 H 1 2.297 0.020 . 1 . . . . . . . . 6241 1 614 . 1 1 51 51 GLY H H 1 8.025 0.001 . 1 . . . . . . . . 6241 1 615 . 1 1 51 51 GLY N N 15 107.437 0.070 . 1 . . . . . . . . 6241 1 616 . 1 1 51 51 GLY CA C 13 45.506 0.080 . 1 . . . . . . . . 6241 1 617 . 1 1 51 51 GLY HA2 H 1 4.065 0.002 . 1 . . . . . . . . 6241 1 618 . 1 1 51 51 GLY HA3 H 1 3.979 0.002 . 1 . . . . . . . . 6241 1 619 . 1 1 51 51 GLY C C 13 174.740 0.080 . 1 . . . . . . . . 6241 1 620 . 1 1 52 52 GLY H H 1 8.024 0.020 . 1 . . . . . . . . 6241 1 621 . 1 1 52 52 GLY N N 15 108.687 0.070 . 1 . . . . . . . . 6241 1 622 . 1 1 52 52 GLY CA C 13 45.184 0.080 . 1 . . . . . . . . 6241 1 623 . 1 1 52 52 GLY HA2 H 1 4.133 0.002 . 1 . . . . . . . . 6241 1 624 . 1 1 52 52 GLY HA3 H 1 3.920 0.001 . 1 . . . . . . . . 6241 1 625 . 1 1 52 52 GLY C C 13 174.510 0.080 . 1 . . . . . . . . 6241 1 626 . 1 1 53 53 VAL H H 1 8.050 0.003 . 1 . . . . . . . . 6241 1 627 . 1 1 53 53 VAL N N 15 118.687 0.070 . 1 . . . . . . . . 6241 1 628 . 1 1 53 53 VAL CA C 13 62.300 0.080 . 1 . . . . . . . . 6241 1 629 . 1 1 53 53 VAL HA H 1 4.127 0.001 . 1 . . . . . . . . 6241 1 630 . 1 1 53 53 VAL C C 13 176.400 0.080 . 1 . . . . . . . . 6241 1 631 . 1 1 53 53 VAL CB C 13 32.469 0.080 . 1 . . . . . . . . 6241 1 632 . 1 1 53 53 VAL HB H 1 2.141 0.003 . 1 . . . . . . . . 6241 1 633 . 1 1 53 53 VAL CG1 C 13 20.075 0.080 . 1 . . . . . . . . 6241 1 634 . 1 1 53 53 VAL HG11 H 1 0.930 0.020 . 1 . . . . . . . . 6241 1 635 . 1 1 53 53 VAL HG12 H 1 0.930 0.020 . 1 . . . . . . . . 6241 1 636 . 1 1 53 53 VAL HG13 H 1 0.930 0.020 . 1 . . . . . . . . 6241 1 637 . 1 1 53 53 VAL CG2 C 13 21.360 0.080 . 1 . . . . . . . . 6241 1 638 . 1 1 53 53 VAL HG21 H 1 0.880 0.020 . 1 . . . . . . . . 6241 1 639 . 1 1 53 53 VAL HG22 H 1 0.880 0.020 . 1 . . . . . . . . 6241 1 640 . 1 1 53 53 VAL HG23 H 1 0.880 0.020 . 1 . . . . . . . . 6241 1 641 . 1 1 54 54 THR H H 1 8.253 0.005 . 1 . . . . . . . . 6241 1 642 . 1 1 54 54 THR N N 15 114.937 0.070 . 1 . . . . . . . . 6241 1 643 . 1 1 54 54 THR CA C 13 61.300 0.080 . 1 . . . . . . . . 6241 1 644 . 1 1 54 54 THR HA H 1 4.466 0.001 . 1 . . . . . . . . 6241 1 645 . 1 1 54 54 THR C C 13 174.850 0.080 . 1 . . . . . . . . 6241 1 646 . 1 1 54 54 THR CB C 13 69.860 0.080 . 1 . . . . . . . . 6241 1 647 . 1 1 54 54 THR HB H 1 4.425 0.002 . 1 . . . . . . . . 6241 1 648 . 1 1 54 54 THR CG2 C 13 21.363 0.080 . 1 . . . . . . . . 6241 1 649 . 1 1 54 54 THR HG21 H 1 1.228 0.002 . 1 . . . . . . . . 6241 1 650 . 1 1 54 54 THR HG22 H 1 1.228 0.002 . 1 . . . . . . . . 6241 1 651 . 1 1 54 54 THR HG23 H 1 1.228 0.002 . 1 . . . . . . . . 6241 1 652 . 1 1 55 55 SER H H 1 8.234 0.001 . 1 . . . . . . . . 6241 1 653 . 1 1 55 55 SER N N 15 117.906 0.070 . 1 . . . . . . . . 6241 1 654 . 1 1 55 55 SER CA C 13 58.720 0.080 . 1 . . . . . . . . 6241 1 655 . 1 1 55 55 SER HA H 1 4.419 0.002 . 1 . . . . . . . . 6241 1 656 . 1 1 55 55 SER C C 13 175.330 0.080 . 1 . . . . . . . . 6241 1 657 . 1 1 55 55 SER CB C 13 63.830 0.080 . 1 . . . . . . . . 6241 1 658 . 1 1 55 55 SER HB2 H 1 4.054 0.001 . 1 . . . . . . . . 6241 1 659 . 1 1 55 55 SER HB3 H 1 3.928 0.001 . 1 . . . . . . . . 6241 1 660 . 1 1 56 56 GLU H H 1 8.707 0.002 . 1 . . . . . . . . 6241 1 661 . 1 1 56 56 GLU N N 15 122.906 0.070 . 1 . . . . . . . . 6241 1 662 . 1 1 56 56 GLU CA C 13 58.400 0.080 . 1 . . . . . . . . 6241 1 663 . 1 1 56 56 GLU HA H 1 4.183 0.001 . 1 . . . . . . . . 6241 1 664 . 1 1 56 56 GLU C C 13 177.460 0.080 . 1 . . . . . . . . 6241 1 665 . 1 1 56 56 GLU CB C 13 29.732 0.080 . 1 . . . . . . . . 6241 1 666 . 1 1 56 56 GLU HB2 H 1 2.043 0.020 . 1 . . . . . . . . 6241 1 667 . 1 1 56 56 GLU HB3 H 1 1.975 0.020 . 1 . . . . . . . . 6241 1 668 . 1 1 56 56 GLU CG C 13 36.170 0.080 . 1 . . . . . . . . 6241 1 669 . 1 1 56 56 GLU HG2 H 1 2.296 0.020 . 1 . . . . . . . . 6241 1 670 . 1 1 56 56 GLU HG3 H 1 2.296 0.020 . 1 . . . . . . . . 6241 1 671 . 1 1 57 57 ASP H H 1 8.244 0.001 . 1 . . . . . . . . 6241 1 672 . 1 1 57 57 ASP N N 15 119.781 0.070 . 1 . . . . . . . . 6241 1 673 . 1 1 57 57 ASP CA C 13 55.610 0.080 . 1 . . . . . . . . 6241 1 674 . 1 1 57 57 ASP HA H 1 4.489 0.002 . 1 . . . . . . . . 6241 1 675 . 1 1 57 57 ASP C C 13 177.470 0.080 . 1 . . . . . . . . 6241 1 676 . 1 1 57 57 ASP CB C 13 40.677 0.080 . 1 . . . . . . . . 6241 1 677 . 1 1 57 57 ASP HB2 H 1 2.652 0.020 . 1 . . . . . . . . 6241 1 678 . 1 1 57 57 ASP HB3 H 1 2.652 0.020 . 1 . . . . . . . . 6241 1 679 . 1 1 58 58 TYR H H 1 8.066 0.003 . 1 . . . . . . . . 6241 1 680 . 1 1 58 58 TYR N N 15 121.656 0.070 . 1 . . . . . . . . 6241 1 681 . 1 1 58 58 TYR CA C 13 59.980 0.080 . 1 . . . . . . . . 6241 1 682 . 1 1 58 58 TYR HA H 1 4.330 0.002 . 1 . . . . . . . . 6241 1 683 . 1 1 58 58 TYR CB C 13 38.424 0.080 . 1 . . . . . . . . 6241 1 684 . 1 1 58 58 TYR HB2 H 1 3.061 0.020 . 1 . . . . . . . . 6241 1 685 . 1 1 58 58 TYR HB3 H 1 3.061 0.020 . 1 . . . . . . . . 6241 1 686 . 1 1 58 58 TYR CD1 C 13 133.034 0.080 . 1 . . . . . . . . 6241 1 687 . 1 1 58 58 TYR HD1 H 1 7.062 0.020 . 1 . . . . . . . . 6241 1 688 . 1 1 58 58 TYR CD2 C 13 133.034 0.080 . 1 . . . . . . . . 6241 1 689 . 1 1 58 58 TYR HD2 H 1 7.062 0.020 . 1 . . . . . . . . 6241 1 690 . 1 1 58 58 TYR CE1 C 13 118.120 0.080 . 1 . . . . . . . . 6241 1 691 . 1 1 58 58 TYR HE1 H 1 6.832 0.020 . 1 . . . . . . . . 6241 1 692 . 1 1 58 58 TYR CE2 C 13 118.120 0.080 . 1 . . . . . . . . 6241 1 693 . 1 1 58 58 TYR HE2 H 1 6.832 0.020 . 1 . . . . . . . . 6241 1 694 . 1 1 59 59 ARG H H 1 8.027 0.020 . 1 . . . . . . . . 6241 1 695 . 1 1 59 59 ARG N N 15 119.625 0.070 . 1 . . . . . . . . 6241 1 696 . 1 1 59 59 ARG CA C 13 58.370 0.080 . 1 . . . . . . . . 6241 1 697 . 1 1 59 59 ARG HA H 1 4.009 0.003 . 1 . . . . . . . . 6241 1 698 . 1 1 59 59 ARG C C 13 178.120 0.080 . 1 . . . . . . . . 6241 1 699 . 1 1 59 59 ARG CB C 13 30.376 0.080 . 1 . . . . . . . . 6241 1 700 . 1 1 59 59 ARG HB2 H 1 1.823 0.020 . 1 . . . . . . . . 6241 1 701 . 1 1 59 59 ARG HB3 H 1 1.823 0.020 . 1 . . . . . . . . 6241 1 702 . 1 1 59 59 ARG CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 703 . 1 1 59 59 ARG HG2 H 1 1.563 0.020 . 1 . . . . . . . . 6241 1 704 . 1 1 59 59 ARG HG3 H 1 1.563 0.020 . 1 . . . . . . . . 6241 1 705 . 1 1 59 59 ARG CD C 13 43.252 0.080 . 1 . . . . . . . . 6241 1 706 . 1 1 59 59 ARG HD2 H 1 3.171 0.020 . 1 . . . . . . . . 6241 1 707 . 1 1 59 59 ARG HD3 H 1 3.171 0.020 . 1 . . . . . . . . 6241 1 708 . 1 1 60 60 THR H H 1 8.075 0.002 . 1 . . . . . . . . 6241 1 709 . 1 1 60 60 THR N N 15 114.156 0.070 . 1 . . . . . . . . 6241 1 710 . 1 1 60 60 THR CA C 13 64.230 0.080 . 1 . . . . . . . . 6241 1 711 . 1 1 60 60 THR HA H 1 4.066 0.002 . 1 . . . . . . . . 6241 1 712 . 1 1 60 60 THR C C 13 175.620 0.080 . 1 . . . . . . . . 6241 1 713 . 1 1 60 60 THR CB C 13 69.080 0.080 . 1 . . . . . . . . 6241 1 714 . 1 1 60 60 THR HB H 1 4.184 0.020 . 1 . . . . . . . . 6241 1 715 . 1 1 60 60 THR CG2 C 13 21.685 0.080 . 1 . . . . . . . . 6241 1 716 . 1 1 60 60 THR HG21 H 1 1.153 0.001 . 1 . . . . . . . . 6241 1 717 . 1 1 60 60 THR HG22 H 1 1.153 0.001 . 1 . . . . . . . . 6241 1 718 . 1 1 60 60 THR HG23 H 1 1.153 0.001 . 1 . . . . . . . . 6241 1 719 . 1 1 61 61 PHE H H 1 7.938 0.001 . 1 . . . . . . . . 6241 1 720 . 1 1 61 61 PHE N N 15 122.593 0.070 . 1 . . . . . . . . 6241 1 721 . 1 1 61 61 PHE CA C 13 59.530 0.080 . 1 . . . . . . . . 6241 1 722 . 1 1 61 61 PHE HA H 1 4.443 0.002 . 1 . . . . . . . . 6241 1 723 . 1 1 61 61 PHE C C 13 176.710 0.080 . 1 . . . . . . . . 6241 1 724 . 1 1 61 61 PHE CB C 13 39.068 0.080 . 1 . . . . . . . . 6241 1 725 . 1 1 61 61 PHE HB2 H 1 3.197 0.020 . 1 . . . . . . . . 6241 1 726 . 1 1 61 61 PHE HB3 H 1 3.137 0.020 . 1 . . . . . . . . 6241 1 727 . 1 1 61 61 PHE CD1 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 728 . 1 1 61 61 PHE HD1 H 1 7.175 0.020 . 1 . . . . . . . . 6241 1 729 . 1 1 61 61 PHE CD2 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 730 . 1 1 61 61 PHE HD2 H 1 7.175 0.020 . 1 . . . . . . . . 6241 1 731 . 1 1 61 61 PHE CE1 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 732 . 1 1 61 61 PHE HE1 H 1 7.306 0.020 . 1 . . . . . . . . 6241 1 733 . 1 1 61 61 PHE CE2 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 734 . 1 1 61 61 PHE HE2 H 1 7.306 0.020 . 1 . . . . . . . . 6241 1 735 . 1 1 61 61 PHE CZ C 13 129.870 0.000 . 1 . . . . . . . . 6241 1 736 . 1 1 61 61 PHE HZ H 1 7.280 0.000 . 1 . . . . . . . . 6241 1 737 . 1 1 62 62 LEU H H 1 7.945 0.004 . 1 . . . . . . . . 6241 1 738 . 1 1 62 62 LEU N N 15 120.406 0.070 . 1 . . . . . . . . 6241 1 739 . 1 1 62 62 LEU CA C 13 55.930 0.080 . 1 . . . . . . . . 6241 1 740 . 1 1 62 62 LEU HA H 1 4.034 0.002 . 1 . . . . . . . . 6241 1 741 . 1 1 62 62 LEU C C 13 177.420 0.080 . 1 . . . . . . . . 6241 1 742 . 1 1 62 62 LEU CB C 13 42.287 0.080 . 1 . . . . . . . . 6241 1 743 . 1 1 62 62 LEU HB2 H 1 1.642 0.001 . 1 . . . . . . . . 6241 1 744 . 1 1 62 62 LEU HB3 H 1 1.492 0.001 . 1 . . . . . . . . 6241 1 745 . 1 1 62 62 LEU CG C 13 26.513 0.080 . 1 . . . . . . . . 6241 1 746 . 1 1 62 62 LEU CD1 C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 747 . 1 1 62 62 LEU HD11 H 1 0.836 0.004 . 1 . . . . . . . . 6241 1 748 . 1 1 62 62 LEU HD12 H 1 0.836 0.004 . 1 . . . . . . . . 6241 1 749 . 1 1 62 62 LEU HD13 H 1 0.836 0.004 . 1 . . . . . . . . 6241 1 750 . 1 1 62 62 LEU CD2 C 13 22.972 0.080 . 1 . . . . . . . . 6241 1 751 . 1 1 62 62 LEU HD21 H 1 0.820 0.001 . 1 . . . . . . . . 6241 1 752 . 1 1 62 62 LEU HD22 H 1 0.820 0.001 . 1 . . . . . . . . 6241 1 753 . 1 1 62 62 LEU HD23 H 1 0.820 0.001 . 1 . . . . . . . . 6241 1 754 . 1 1 62 62 LEU HG H 1 1.501 0.020 . 1 . . . . . . . . 6241 1 755 . 1 1 63 63 GLN H H 1 7.783 0.002 . 1 . . . . . . . . 6241 1 756 . 1 1 63 63 GLN N N 15 117.593 0.070 . 1 . . . . . . . . 6241 1 757 . 1 1 63 63 GLN CA C 13 55.720 0.080 . 1 . . . . . . . . 6241 1 758 . 1 1 63 63 GLN HA H 1 4.244 0.004 . 1 . . . . . . . . 6241 1 759 . 1 1 63 63 GLN C C 13 175.810 0.080 . 1 . . . . . . . . 6241 1 760 . 1 1 63 63 GLN CB C 13 29.089 0.080 . 1 . . . . . . . . 6241 1 761 . 1 1 63 63 GLN HB2 H 1 2.148 0.001 . 1 . . . . . . . . 6241 1 762 . 1 1 63 63 GLN HB3 H 1 2.019 0.002 . 1 . . . . . . . . 6241 1 763 . 1 1 63 63 GLN CG C 13 33.917 0.080 . 1 . . . . . . . . 6241 1 764 . 1 1 63 63 GLN HG2 H 1 2.353 0.020 . 1 . . . . . . . . 6241 1 765 . 1 1 63 63 GLN HG3 H 1 2.353 0.020 . 1 . . . . . . . . 6241 1 766 . 1 1 63 63 GLN NE2 N 15 111.970 0.000 . 1 . . . . . . . . 6241 1 767 . 1 1 63 63 GLN HE21 H 1 7.460 0.000 . 1 . . . . . . . . 6241 1 768 . 1 1 63 63 GLN HE22 H 1 6.824 0.000 . 1 . . . . . . . . 6241 1 769 . 1 1 64 64 GLN H H 1 7.912 0.006 . 1 . . . . . . . . 6241 1 770 . 1 1 64 64 GLN N N 15 121.187 0.070 . 1 . . . . . . . . 6241 1 771 . 1 1 64 64 GLN CA C 13 53.610 0.080 . 1 . . . . . . . . 6241 1 772 . 1 1 64 64 GLN HA H 1 4.553 0.002 . 1 . . . . . . . . 6241 1 773 . 1 1 64 64 GLN CB C 13 28.606 0.080 . 1 . . . . . . . . 6241 1 774 . 1 1 64 64 GLN HB2 H 1 2.070 0.001 . 1 . . . . . . . . 6241 1 775 . 1 1 64 64 GLN HB3 H 1 1.910 0.020 . 1 . . . . . . . . 6241 1 776 . 1 1 64 64 GLN CG C 13 33.434 0.080 . 1 . . . . . . . . 6241 1 777 . 1 1 64 64 GLN HG2 H 1 2.413 0.020 . 1 . . . . . . . . 6241 1 778 . 1 1 64 64 GLN HG3 H 1 2.413 0.020 . 1 . . . . . . . . 6241 1 779 . 1 1 64 64 GLN NE2 N 15 112.437 0.000 . 1 . . . . . . . . 6241 1 780 . 1 1 64 64 GLN HE21 H 1 7.444 0.000 . 1 . . . . . . . . 6241 1 781 . 1 1 64 64 GLN HE22 H 1 6.870 0.000 . 1 . . . . . . . . 6241 1 782 . 1 1 65 65 PRO CA C 13 63.020 0.080 . 1 . . . . . . . . 6241 1 783 . 1 1 65 65 PRO HA H 1 4.418 0.001 . 1 . . . . . . . . 6241 1 784 . 1 1 65 65 PRO C C 13 176.620 0.080 . 1 . . . . . . . . 6241 1 785 . 1 1 65 65 PRO CB C 13 32.147 0.080 . 1 . . . . . . . . 6241 1 786 . 1 1 65 65 PRO HB2 H 1 2.285 0.002 . 1 . . . . . . . . 6241 1 787 . 1 1 65 65 PRO HB3 H 1 1.919 0.001 . 1 . . . . . . . . 6241 1 788 . 1 1 65 65 PRO CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 789 . 1 1 65 65 PRO HG2 H 1 1.970 0.020 . 1 . . . . . . . . 6241 1 790 . 1 1 65 65 PRO HG3 H 1 1.970 0.020 . 1 . . . . . . . . 6241 1 791 . 1 1 65 65 PRO CD C 13 50.600 0.080 . 1 . . . . . . . . 6241 1 792 . 1 1 65 65 PRO HD2 H 1 3.741 0.020 . 1 . . . . . . . . 6241 1 793 . 1 1 65 65 PRO HD3 H 1 3.603 0.020 . 1 . . . . . . . . 6241 1 794 . 1 1 66 66 SER H H 1 8.411 0.020 . 1 . . . . . . . . 6241 1 795 . 1 1 66 66 SER N N 15 115.406 0.070 . 1 . . . . . . . . 6241 1 796 . 1 1 66 66 SER CA C 13 58.620 0.080 . 1 . . . . . . . . 6241 1 797 . 1 1 66 66 SER HA H 1 4.344 0.001 . 1 . . . . . . . . 6241 1 798 . 1 1 66 66 SER C C 13 175.840 0.080 . 1 . . . . . . . . 6241 1 799 . 1 1 66 66 SER CB C 13 63.860 0.080 . 1 . . . . . . . . 6241 1 800 . 1 1 66 66 SER HB2 H 1 3.962 0.020 . 1 . . . . . . . . 6241 1 801 . 1 1 66 66 SER HB3 H 1 3.962 0.020 . 1 . . . . . . . . 6241 1 802 . 1 1 67 67 GLY H H 1 8.720 0.020 . 1 . . . . . . . . 6241 1 803 . 1 1 67 67 GLY N N 15 112.437 0.070 . 1 . . . . . . . . 6241 1 804 . 1 1 67 67 GLY CA C 13 45.184 0.080 . 1 . . . . . . . . 6241 1 805 . 1 1 67 67 GLY HA2 H 1 4.230 0.020 . 1 . . . . . . . . 6241 1 806 . 1 1 67 67 GLY HA3 H 1 3.972 0.020 . 1 . . . . . . . . 6241 1 807 . 1 1 67 67 GLY C C 13 174.340 0.080 . 1 . . . . . . . . 6241 1 808 . 1 1 68 68 ASN H H 1 9.038 0.020 . 1 . . . . . . . . 6241 1 809 . 1 1 68 68 ASN N N 15 118.531 0.070 . 1 . . . . . . . . 6241 1 810 . 1 1 68 68 ASN CA C 13 54.650 0.080 . 1 . . . . . . . . 6241 1 811 . 1 1 68 68 ASN HA H 1 4.785 0.020 . 1 . . . . . . . . 6241 1 812 . 1 1 68 68 ASN C C 13 173.830 0.080 . 1 . . . . . . . . 6241 1 813 . 1 1 68 68 ASN CB C 13 40.838 0.080 . 1 . . . . . . . . 6241 1 814 . 1 1 68 68 ASN HB2 H 1 2.657 0.020 . 1 . . . . . . . . 6241 1 815 . 1 1 68 68 ASN HB3 H 1 2.657 0.020 . 1 . . . . . . . . 6241 1 816 . 1 1 68 68 ASN ND2 N 15 117.440 0.070 . 1 . . . . . . . . 6241 1 817 . 1 1 68 68 ASN HD21 H 1 8.280 0.020 . 1 . . . . . . . . 6241 1 818 . 1 1 68 68 ASN HD22 H 1 7.300 0.020 . 1 . . . . . . . . 6241 1 819 . 1 1 69 69 MET H H 1 8.000 0.001 . 1 . . . . . . . . 6241 1 820 . 1 1 69 69 MET N N 15 117.281 0.070 . 1 . . . . . . . . 6241 1 821 . 1 1 69 69 MET CA C 13 55.510 0.080 . 1 . . . . . . . . 6241 1 822 . 1 1 69 69 MET HA H 1 4.849 0.006 . 1 . . . . . . . . 6241 1 823 . 1 1 69 69 MET C C 13 174.700 0.080 . 1 . . . . . . . . 6241 1 824 . 1 1 69 69 MET CB C 13 34.883 0.080 . 1 . . . . . . . . 6241 1 825 . 1 1 69 69 MET HB2 H 1 1.951 0.004 . 1 . . . . . . . . 6241 1 826 . 1 1 69 69 MET HB3 H 1 1.862 0.002 . 1 . . . . . . . . 6241 1 827 . 1 1 69 69 MET CG C 13 31.020 0.080 . 1 . . . . . . . . 6241 1 828 . 1 1 69 69 MET HG2 H 1 2.366 0.001 . 1 . . . . . . . . 6241 1 829 . 1 1 69 69 MET HG3 H 1 2.239 0.002 . 1 . . . . . . . . 6241 1 830 . 1 1 69 69 MET CE C 13 17.178 0.000 . 1 . . . . . . . . 6241 1 831 . 1 1 69 69 MET HE1 H 1 2.041 0.000 . 1 . . . . . . . . 6241 1 832 . 1 1 69 69 MET HE2 H 1 2.041 0.000 . 1 . . . . . . . . 6241 1 833 . 1 1 69 69 MET HE3 H 1 2.041 0.000 . 1 . . . . . . . . 6241 1 834 . 1 1 70 70 ASP H H 1 7.980 0.020 . 1 . . . . . . . . 6241 1 835 . 1 1 70 70 ASP N N 15 119.625 0.070 . 1 . . . . . . . . 6241 1 836 . 1 1 70 70 ASP CA C 13 53.680 0.080 . 1 . . . . . . . . 6241 1 837 . 1 1 70 70 ASP HA H 1 4.772 0.020 . 1 . . . . . . . . 6241 1 838 . 1 1 70 70 ASP C C 13 176.380 0.080 . 1 . . . . . . . . 6241 1 839 . 1 1 70 70 ASP CB C 13 42.609 0.080 . 1 . . . . . . . . 6241 1 840 . 1 1 70 70 ASP HB2 H 1 3.041 0.020 . 1 . . . . . . . . 6241 1 841 . 1 1 70 70 ASP HB3 H 1 2.745 0.003 . 1 . . . . . . . . 6241 1 842 . 1 1 71 71 ASP H H 1 8.314 0.003 . 1 . . . . . . . . 6241 1 843 . 1 1 71 71 ASP N N 15 118.218 0.070 . 1 . . . . . . . . 6241 1 844 . 1 1 71 71 ASP CA C 13 55.290 0.080 . 1 . . . . . . . . 6241 1 845 . 1 1 71 71 ASP HA H 1 4.614 0.002 . 1 . . . . . . . . 6241 1 846 . 1 1 71 71 ASP C C 13 177.050 0.080 . 1 . . . . . . . . 6241 1 847 . 1 1 71 71 ASP CB C 13 40.677 0.080 . 1 . . . . . . . . 6241 1 848 . 1 1 71 71 ASP HB2 H 1 2.782 0.002 . 1 . . . . . . . . 6241 1 849 . 1 1 71 71 ASP HB3 H 1 2.714 0.004 . 1 . . . . . . . . 6241 1 850 . 1 1 72 72 SER H H 1 8.634 0.001 . 1 . . . . . . . . 6241 1 851 . 1 1 72 72 SER N N 15 116.343 0.070 . 1 . . . . . . . . 6241 1 852 . 1 1 72 72 SER CA C 13 59.100 0.080 . 1 . . . . . . . . 6241 1 853 . 1 1 72 72 SER HA H 1 4.488 0.002 . 1 . . . . . . . . 6241 1 854 . 1 1 72 72 SER C C 13 174.560 0.080 . 1 . . . . . . . . 6241 1 855 . 1 1 72 72 SER CB C 13 64.390 0.080 . 1 . . . . . . . . 6241 1 856 . 1 1 72 72 SER HB2 H 1 3.945 0.020 . 1 . . . . . . . . 6241 1 857 . 1 1 72 72 SER HB3 H 1 3.945 0.020 . 1 . . . . . . . . 6241 1 858 . 1 1 73 73 GLY H H 1 7.912 0.002 . 1 . . . . . . . . 6241 1 859 . 1 1 73 73 GLY N N 15 108.687 0.070 . 1 . . . . . . . . 6241 1 860 . 1 1 73 73 GLY CA C 13 45.184 0.080 . 1 . . . . . . . . 6241 1 861 . 1 1 73 73 GLY HA2 H 1 4.343 0.004 . 1 . . . . . . . . 6241 1 862 . 1 1 73 73 GLY HA3 H 1 3.691 0.001 . 1 . . . . . . . . 6241 1 863 . 1 1 73 73 GLY C C 13 173.610 0.080 . 1 . . . . . . . . 6241 1 864 . 1 1 74 74 PHE H H 1 7.923 0.008 . 1 . . . . . . . . 6241 1 865 . 1 1 74 74 PHE N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 866 . 1 1 74 74 PHE CA C 13 58.660 0.080 . 1 . . . . . . . . 6241 1 867 . 1 1 74 74 PHE HA H 1 4.505 0.001 . 1 . . . . . . . . 6241 1 868 . 1 1 74 74 PHE C C 13 174.650 0.080 . 1 . . . . . . . . 6241 1 869 . 1 1 74 74 PHE CB C 13 39.711 0.080 . 1 . . . . . . . . 6241 1 870 . 1 1 74 74 PHE HB2 H 1 3.013 0.002 . 1 . . . . . . . . 6241 1 871 . 1 1 74 74 PHE HB3 H 1 2.753 0.002 . 1 . . . . . . . . 6241 1 872 . 1 1 74 74 PHE CD1 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 873 . 1 1 74 74 PHE HD1 H 1 6.898 0.020 . 1 . . . . . . . . 6241 1 874 . 1 1 74 74 PHE CD2 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 875 . 1 1 74 74 PHE HD2 H 1 6.898 0.020 . 1 . . . . . . . . 6241 1 876 . 1 1 74 74 PHE CE1 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 877 . 1 1 74 74 PHE HE1 H 1 7.231 0.020 . 1 . . . . . . . . 6241 1 878 . 1 1 74 74 PHE CE2 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 879 . 1 1 74 74 PHE HE2 H 1 7.231 0.020 . 1 . . . . . . . . 6241 1 880 . 1 1 75 75 PHE H H 1 7.634 0.020 . 1 . . . . . . . . 6241 1 881 . 1 1 75 75 PHE N N 15 122.593 0.070 . 1 . . . . . . . . 6241 1 882 . 1 1 75 75 PHE CA C 13 57.450 0.080 . 1 . . . . . . . . 6241 1 883 . 1 1 75 75 PHE HA H 1 4.769 0.020 . 1 . . . . . . . . 6241 1 884 . 1 1 75 75 PHE C C 13 174.480 0.080 . 1 . . . . . . . . 6241 1 885 . 1 1 75 75 PHE CB C 13 42.770 0.080 . 1 . . . . . . . . 6241 1 886 . 1 1 75 75 PHE HB2 H 1 2.724 0.020 . 1 . . . . . . . . 6241 1 887 . 1 1 75 75 PHE HB3 H 1 2.724 0.020 . 1 . . . . . . . . 6241 1 888 . 1 1 75 75 PHE CD1 C 13 131.846 0.080 . 1 . . . . . . . . 6241 1 889 . 1 1 75 75 PHE HD1 H 1 7.148 0.020 . 1 . . . . . . . . 6241 1 890 . 1 1 75 75 PHE CD2 C 13 131.846 0.080 . 1 . . . . . . . . 6241 1 891 . 1 1 75 75 PHE HD2 H 1 7.148 0.020 . 1 . . . . . . . . 6241 1 892 . 1 1 75 75 PHE CE1 C 13 131.840 0.000 . 1 . . . . . . . . 6241 1 893 . 1 1 75 75 PHE HE1 H 1 7.180 0.000 . 1 . . . . . . . . 6241 1 894 . 1 1 75 75 PHE CE2 C 13 131.840 0.000 . 1 . . . . . . . . 6241 1 895 . 1 1 75 75 PHE HE2 H 1 7.180 0.000 . 1 . . . . . . . . 6241 1 896 . 1 1 75 75 PHE CZ C 13 129.600 0.000 . 1 . . . . . . . . 6241 1 897 . 1 1 75 75 PHE HZ H 1 7.210 0.000 . 1 . . . . . . . . 6241 1 898 . 1 1 76 76 SER H H 1 7.924 0.020 . 1 . . . . . . . . 6241 1 899 . 1 1 76 76 SER N N 15 115.560 0.070 . 1 . . . . . . . . 6241 1 900 . 1 1 76 76 SER CA C 13 57.180 0.080 . 1 . . . . . . . . 6241 1 901 . 1 1 76 76 SER HA H 1 4.486 0.003 . 1 . . . . . . . . 6241 1 902 . 1 1 76 76 SER C C 13 175.380 0.080 . 1 . . . . . . . . 6241 1 903 . 1 1 76 76 SER CB C 13 65.980 0.080 . 1 . . . . . . . . 6241 1 904 . 1 1 76 76 SER HB2 H 1 4.622 0.001 . 1 . . . . . . . . 6241 1 905 . 1 1 76 76 SER HB3 H 1 4.295 0.020 . 1 . . . . . . . . 6241 1 906 . 1 1 77 77 ILE H H 1 8.996 0.020 . 1 . . . . . . . . 6241 1 907 . 1 1 77 77 ILE N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 908 . 1 1 77 77 ILE CA C 13 62.810 0.080 . 1 . . . . . . . . 6241 1 909 . 1 1 77 77 ILE HA H 1 3.894 0.020 . 1 . . . . . . . . 6241 1 910 . 1 1 77 77 ILE C C 13 177.050 0.080 . 1 . . . . . . . . 6241 1 911 . 1 1 77 77 ILE CB C 13 37.941 0.080 . 1 . . . . . . . . 6241 1 912 . 1 1 77 77 ILE HB H 1 2.009 0.001 . 1 . . . . . . . . 6241 1 913 . 1 1 77 77 ILE CG2 C 13 17.822 0.080 . 1 . . . . . . . . 6241 1 914 . 1 1 77 77 ILE HG21 H 1 0.975 0.020 . 1 . . . . . . . . 6241 1 915 . 1 1 77 77 ILE HG22 H 1 0.975 0.020 . 1 . . . . . . . . 6241 1 916 . 1 1 77 77 ILE HG23 H 1 0.975 0.020 . 1 . . . . . . . . 6241 1 917 . 1 1 77 77 ILE CG1 C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 918 . 1 1 77 77 ILE HG12 H 1 1.429 0.003 . 1 . . . . . . . . 6241 1 919 . 1 1 77 77 ILE HG13 H 1 1.295 0.003 . 1 . . . . . . . . 6241 1 920 . 1 1 77 77 ILE CD1 C 13 14.120 0.080 . 1 . . . . . . . . 6241 1 921 . 1 1 77 77 ILE HD11 H 1 0.681 0.001 . 1 . . . . . . . . 6241 1 922 . 1 1 77 77 ILE HD12 H 1 0.681 0.001 . 1 . . . . . . . . 6241 1 923 . 1 1 77 77 ILE HD13 H 1 0.681 0.001 . 1 . . . . . . . . 6241 1 924 . 1 1 78 78 GLN H H 1 8.094 0.020 . 1 . . . . . . . . 6241 1 925 . 1 1 78 78 GLN N N 15 120.562 0.070 . 1 . . . . . . . . 6241 1 926 . 1 1 78 78 GLN CA C 13 59.580 0.080 . 1 . . . . . . . . 6241 1 927 . 1 1 78 78 GLN HA H 1 3.992 0.004 . 1 . . . . . . . . 6241 1 928 . 1 1 78 78 GLN C C 13 178.660 0.080 . 1 . . . . . . . . 6241 1 929 . 1 1 78 78 GLN CB C 13 28.284 0.080 . 1 . . . . . . . . 6241 1 930 . 1 1 78 78 GLN HB2 H 1 2.089 0.002 . 1 . . . . . . . . 6241 1 931 . 1 1 78 78 GLN HB3 H 1 1.936 0.001 . 1 . . . . . . . . 6241 1 932 . 1 1 78 78 GLN CG C 13 34.883 0.080 . 1 . . . . . . . . 6241 1 933 . 1 1 78 78 GLN HG2 H 1 2.499 0.004 . 1 . . . . . . . . 6241 1 934 . 1 1 78 78 GLN HG3 H 1 2.414 0.004 . 1 . . . . . . . . 6241 1 935 . 1 1 78 78 GLN NE2 N 15 112.437 0.070 . 1 . . . . . . . . 6241 1 936 . 1 1 78 78 GLN HE21 H 1 7.526 0.002 . 1 . . . . . . . . 6241 1 937 . 1 1 78 78 GLN HE22 H 1 6.945 0.001 . 1 . . . . . . . . 6241 1 938 . 1 1 79 79 VAL H H 1 7.507 0.003 . 1 . . . . . . . . 6241 1 939 . 1 1 79 79 VAL N N 15 121.187 0.070 . 1 . . . . . . . . 6241 1 940 . 1 1 79 79 VAL CA C 13 66.210 0.080 . 1 . . . . . . . . 6241 1 941 . 1 1 79 79 VAL HA H 1 3.370 0.001 . 1 . . . . . . . . 6241 1 942 . 1 1 79 79 VAL C C 13 176.620 0.080 . 1 . . . . . . . . 6241 1 943 . 1 1 79 79 VAL CB C 13 31.181 0.080 . 1 . . . . . . . . 6241 1 944 . 1 1 79 79 VAL HB H 1 2.309 0.002 . 1 . . . . . . . . 6241 1 945 . 1 1 79 79 VAL CG1 C 13 23.616 0.080 . 1 . . . . . . . . 6241 1 946 . 1 1 79 79 VAL HG11 H 1 1.138 0.002 . 1 . . . . . . . . 6241 1 947 . 1 1 79 79 VAL HG12 H 1 1.138 0.002 . 1 . . . . . . . . 6241 1 948 . 1 1 79 79 VAL HG13 H 1 1.138 0.002 . 1 . . . . . . . . 6241 1 949 . 1 1 79 79 VAL CG2 C 13 21.202 0.080 . 1 . . . . . . . . 6241 1 950 . 1 1 79 79 VAL HG21 H 1 0.649 0.001 . 1 . . . . . . . . 6241 1 951 . 1 1 79 79 VAL HG22 H 1 0.649 0.001 . 1 . . . . . . . . 6241 1 952 . 1 1 79 79 VAL HG23 H 1 0.649 0.001 . 1 . . . . . . . . 6241 1 953 . 1 1 80 80 ILE H H 1 7.071 0.001 . 1 . . . . . . . . 6241 1 954 . 1 1 80 80 ILE N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 955 . 1 1 80 80 ILE CA C 13 63.270 0.080 . 1 . . . . . . . . 6241 1 956 . 1 1 80 80 ILE HA H 1 3.005 0.001 . 1 . . . . . . . . 6241 1 957 . 1 1 80 80 ILE C C 13 177.580 0.080 . 1 . . . . . . . . 6241 1 958 . 1 1 80 80 ILE CB C 13 35.849 0.080 . 1 . . . . . . . . 6241 1 959 . 1 1 80 80 ILE HB H 1 1.326 0.001 . 1 . . . . . . . . 6241 1 960 . 1 1 80 80 ILE CG2 C 13 17.339 0.080 . 1 . . . . . . . . 6241 1 961 . 1 1 80 80 ILE HG21 H 1 0.170 0.002 . 1 . . . . . . . . 6241 1 962 . 1 1 80 80 ILE HG22 H 1 0.170 0.002 . 1 . . . . . . . . 6241 1 963 . 1 1 80 80 ILE HG23 H 1 0.170 0.002 . 1 . . . . . . . . 6241 1 964 . 1 1 80 80 ILE CG1 C 13 27.640 0.080 . 1 . . . . . . . . 6241 1 965 . 1 1 80 80 ILE HG12 H 1 0.334 0.001 . 1 . . . . . . . . 6241 1 966 . 1 1 80 80 ILE HG13 H 1 -0.282 0.001 . 1 . . . . . . . . 6241 1 967 . 1 1 80 80 ILE CD1 C 13 9.452 0.080 . 1 . . . . . . . . 6241 1 968 . 1 1 80 80 ILE HD11 H 1 -0.434 0.001 . 1 . . . . . . . . 6241 1 969 . 1 1 80 80 ILE HD12 H 1 -0.434 0.001 . 1 . . . . . . . . 6241 1 970 . 1 1 80 80 ILE HD13 H 1 -0.434 0.001 . 1 . . . . . . . . 6241 1 971 . 1 1 81 81 SER H H 1 8.731 0.001 . 1 . . . . . . . . 6241 1 972 . 1 1 81 81 SER N N 15 113.374 0.070 . 1 . . . . . . . . 6241 1 973 . 1 1 81 81 SER CA C 13 61.900 0.080 . 1 . . . . . . . . 6241 1 974 . 1 1 81 81 SER HA H 1 3.834 0.020 . 1 . . . . . . . . 6241 1 975 . 1 1 81 81 SER C C 13 177.760 0.080 . 1 . . . . . . . . 6241 1 976 . 1 1 81 81 SER CB C 13 62.800 0.080 . 1 . . . . . . . . 6241 1 977 . 1 1 81 81 SER HB2 H 1 3.845 0.020 . 1 . . . . . . . . 6241 1 978 . 1 1 81 81 SER HB3 H 1 3.796 0.001 . 1 . . . . . . . . 6241 1 979 . 1 1 82 82 ASN H H 1 8.048 0.020 . 1 . . . . . . . . 6241 1 980 . 1 1 82 82 ASN N N 15 121.500 0.070 . 1 . . . . . . . . 6241 1 981 . 1 1 82 82 ASN CA C 13 56.700 0.080 . 1 . . . . . . . . 6241 1 982 . 1 1 82 82 ASN HA H 1 4.327 0.002 . 1 . . . . . . . . 6241 1 983 . 1 1 82 82 ASN C C 13 177.730 0.080 . 1 . . . . . . . . 6241 1 984 . 1 1 82 82 ASN CB C 13 38.263 0.080 . 1 . . . . . . . . 6241 1 985 . 1 1 82 82 ASN HB2 H 1 2.893 0.020 . 1 . . . . . . . . 6241 1 986 . 1 1 82 82 ASN HB3 H 1 2.638 0.020 . 1 . . . . . . . . 6241 1 987 . 1 1 82 82 ASN ND2 N 15 111.968 0.070 . 1 . . . . . . . . 6241 1 988 . 1 1 82 82 ASN HD21 H 1 7.474 0.001 . 1 . . . . . . . . 6241 1 989 . 1 1 82 82 ASN HD22 H 1 7.210 0.020 . 1 . . . . . . . . 6241 1 990 . 1 1 83 83 ALA H H 1 8.365 0.001 . 1 . . . . . . . . 6241 1 991 . 1 1 83 83 ALA N N 15 123.843 0.070 . 1 . . . . . . . . 6241 1 992 . 1 1 83 83 ALA CA C 13 55.070 0.080 . 1 . . . . . . . . 6241 1 993 . 1 1 83 83 ALA HA H 1 4.088 0.001 . 1 . . . . . . . . 6241 1 994 . 1 1 83 83 ALA C C 13 179.240 0.080 . 1 . . . . . . . . 6241 1 995 . 1 1 83 83 ALA CB C 13 17.822 0.080 . 1 . . . . . . . . 6241 1 996 . 1 1 83 83 ALA HB1 H 1 1.032 0.001 . 1 . . . . . . . . 6241 1 997 . 1 1 83 83 ALA HB2 H 1 1.032 0.001 . 1 . . . . . . . . 6241 1 998 . 1 1 83 83 ALA HB3 H 1 1.032 0.001 . 1 . . . . . . . . 6241 1 999 . 1 1 84 84 LEU H H 1 7.636 0.004 . 1 . . . . . . . . 6241 1 1000 . 1 1 84 84 LEU N N 15 113.218 0.070 . 1 . . . . . . . . 6241 1 1001 . 1 1 84 84 LEU CA C 13 56.370 0.080 . 1 . . . . . . . . 6241 1 1002 . 1 1 84 84 LEU HA H 1 4.286 0.001 . 1 . . . . . . . . 6241 1 1003 . 1 1 84 84 LEU C C 13 179.530 0.080 . 1 . . . . . . . . 6241 1 1004 . 1 1 84 84 LEU CB C 13 41.160 0.080 . 1 . . . . . . . . 6241 1 1005 . 1 1 84 84 LEU HB2 H 1 1.687 0.001 . 1 . . . . . . . . 6241 1 1006 . 1 1 84 84 LEU HB3 H 1 1.464 0.001 . 1 . . . . . . . . 6241 1 1007 . 1 1 84 84 LEU CG C 13 26.513 0.080 . 1 . . . . . . . . 6241 1 1008 . 1 1 84 84 LEU CD1 C 13 22.650 0.080 . 1 . . . . . . . . 6241 1 1009 . 1 1 84 84 LEU HD11 H 1 0.584 0.020 . 1 . . . . . . . . 6241 1 1010 . 1 1 84 84 LEU HD12 H 1 0.584 0.020 . 1 . . . . . . . . 6241 1 1011 . 1 1 84 84 LEU HD13 H 1 0.584 0.020 . 1 . . . . . . . . 6241 1 1012 . 1 1 84 84 LEU CD2 C 13 26.191 0.080 . 1 . . . . . . . . 6241 1 1013 . 1 1 84 84 LEU HD21 H 1 0.475 0.020 . 1 . . . . . . . . 6241 1 1014 . 1 1 84 84 LEU HD22 H 1 0.475 0.020 . 1 . . . . . . . . 6241 1 1015 . 1 1 84 84 LEU HD23 H 1 0.475 0.020 . 1 . . . . . . . . 6241 1 1016 . 1 1 84 84 LEU HG H 1 1.602 0.002 . 1 . . . . . . . . 6241 1 1017 . 1 1 85 85 LYS H H 1 7.968 0.002 . 1 . . . . . . . . 6241 1 1018 . 1 1 85 85 LYS N N 15 122.593 0.070 . 1 . . . . . . . . 6241 1 1019 . 1 1 85 85 LYS CA C 13 59.680 0.080 . 1 . . . . . . . . 6241 1 1020 . 1 1 85 85 LYS HA H 1 4.234 0.002 . 1 . . . . . . . . 6241 1 1021 . 1 1 85 85 LYS C C 13 180.520 0.080 . 1 . . . . . . . . 6241 1 1022 . 1 1 85 85 LYS CB C 13 32.147 0.080 . 1 . . . . . . . . 6241 1 1023 . 1 1 85 85 LYS HB2 H 1 2.078 0.001 . 1 . . . . . . . . 6241 1 1024 . 1 1 85 85 LYS HB3 H 1 1.989 0.002 . 1 . . . . . . . . 6241 1 1025 . 1 1 85 85 LYS CG C 13 25.065 0.080 . 1 . . . . . . . . 6241 1 1026 . 1 1 85 85 LYS HG2 H 1 1.633 0.004 . 1 . . . . . . . . 6241 1 1027 . 1 1 85 85 LYS HG3 H 1 1.542 0.001 . 1 . . . . . . . . 6241 1 1028 . 1 1 85 85 LYS CD C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 1029 . 1 1 85 85 LYS HD2 H 1 1.700 0.020 . 1 . . . . . . . . 6241 1 1030 . 1 1 85 85 LYS HD3 H 1 1.700 0.020 . 1 . . . . . . . . 6241 1 1031 . 1 1 85 85 LYS CE C 13 42.287 0.080 . 1 . . . . . . . . 6241 1 1032 . 1 1 85 85 LYS HE2 H 1 2.965 0.020 . 1 . . . . . . . . 6241 1 1033 . 1 1 85 85 LYS HE3 H 1 2.965 0.020 . 1 . . . . . . . . 6241 1 1034 . 1 1 86 86 VAL H H 1 7.316 0.003 . 1 . . . . . . . . 6241 1 1035 . 1 1 86 86 VAL N N 15 117.906 0.070 . 1 . . . . . . . . 6241 1 1036 . 1 1 86 86 VAL CA C 13 64.880 0.080 . 1 . . . . . . . . 6241 1 1037 . 1 1 86 86 VAL HA H 1 3.753 0.002 . 1 . . . . . . . . 6241 1 1038 . 1 1 86 86 VAL C C 13 176.590 0.080 . 1 . . . . . . . . 6241 1 1039 . 1 1 86 86 VAL CB C 13 31.825 0.080 . 1 . . . . . . . . 6241 1 1040 . 1 1 86 86 VAL HB H 1 2.221 0.001 . 1 . . . . . . . . 6241 1 1041 . 1 1 86 86 VAL CG1 C 13 21.685 0.080 . 1 . . . . . . . . 6241 1 1042 . 1 1 86 86 VAL HG11 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1043 . 1 1 86 86 VAL HG12 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1044 . 1 1 86 86 VAL HG13 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1045 . 1 1 86 86 VAL CG2 C 13 20.719 0.080 . 1 . . . . . . . . 6241 1 1046 . 1 1 86 86 VAL HG21 H 1 0.619 0.001 . 1 . . . . . . . . 6241 1 1047 . 1 1 86 86 VAL HG22 H 1 0.619 0.001 . 1 . . . . . . . . 6241 1 1048 . 1 1 86 86 VAL HG23 H 1 0.619 0.001 . 1 . . . . . . . . 6241 1 1049 . 1 1 87 87 TRP H H 1 7.298 0.020 . 1 . . . . . . . . 6241 1 1050 . 1 1 87 87 TRP N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 1051 . 1 1 87 87 TRP CA C 13 57.550 0.080 . 1 . . . . . . . . 6241 1 1052 . 1 1 87 87 TRP HA H 1 4.267 0.001 . 1 . . . . . . . . 6241 1 1053 . 1 1 87 87 TRP C C 13 175.620 0.080 . 1 . . . . . . . . 6241 1 1054 . 1 1 87 87 TRP CB C 13 29.571 0.080 . 1 . . . . . . . . 6241 1 1055 . 1 1 87 87 TRP HB2 H 1 3.634 0.003 . 1 . . . . . . . . 6241 1 1056 . 1 1 87 87 TRP HB3 H 1 2.940 0.002 . 1 . . . . . . . . 6241 1 1057 . 1 1 87 87 TRP CD1 C 13 125.643 0.080 . 1 . . . . . . . . 6241 1 1058 . 1 1 87 87 TRP HD1 H 1 7.397 0.020 . 1 . . . . . . . . 6241 1 1059 . 1 1 87 87 TRP NE1 N 15 127.906 0.070 . 1 . . . . . . . . 6241 1 1060 . 1 1 87 87 TRP HE1 H 1 9.679 0.020 . 1 . . . . . . . . 6241 1 1061 . 1 1 87 87 TRP CE3 C 13 119.970 0.000 . 1 . . . . . . . . 6241 1 1062 . 1 1 87 87 TRP HE3 H 1 7.570 0.000 . 1 . . . . . . . . 6241 1 1063 . 1 1 87 87 TRP CZ2 C 13 114.160 0.080 . 1 . . . . . . . . 6241 1 1064 . 1 1 87 87 TRP HZ2 H 1 6.797 0.003 . 1 . . . . . . . . 6241 1 1065 . 1 1 87 87 TRP CZ3 C 13 121.420 0.000 . 1 . . . . . . . . 6241 1 1066 . 1 1 87 87 TRP HZ3 H 1 6.888 0.000 . 1 . . . . . . . . 6241 1 1067 . 1 1 87 87 TRP CH2 C 13 124.455 0.000 . 1 . . . . . . . . 6241 1 1068 . 1 1 87 87 TRP HH2 H 1 6.480 0.000 . 1 . . . . . . . . 6241 1 1069 . 1 1 88 88 GLY H H 1 8.069 0.020 . 1 . . . . . . . . 6241 1 1070 . 1 1 88 88 GLY N N 15 108.531 0.070 . 1 . . . . . . . . 6241 1 1071 . 1 1 88 88 GLY CA C 13 46.150 0.080 . 1 . . . . . . . . 6241 1 1072 . 1 1 88 88 GLY HA2 H 1 4.069 0.004 . 1 . . . . . . . . 6241 1 1073 . 1 1 88 88 GLY HA3 H 1 3.870 0.002 . 1 . . . . . . . . 6241 1 1074 . 1 1 88 88 GLY C C 13 174.160 0.080 . 1 . . . . . . . . 6241 1 1075 . 1 1 89 89 LEU H H 1 7.262 0.004 . 1 . . . . . . . . 6241 1 1076 . 1 1 89 89 LEU N N 15 118.843 0.070 . 1 . . . . . . . . 6241 1 1077 . 1 1 89 89 LEU CA C 13 52.880 0.080 . 1 . . . . . . . . 6241 1 1078 . 1 1 89 89 LEU HA H 1 5.160 0.001 . 1 . . . . . . . . 6241 1 1079 . 1 1 89 89 LEU C C 13 175.870 0.080 . 1 . . . . . . . . 6241 1 1080 . 1 1 89 89 LEU CB C 13 43.735 0.080 . 1 . . . . . . . . 6241 1 1081 . 1 1 89 89 LEU HB2 H 1 1.636 0.020 . 1 . . . . . . . . 6241 1 1082 . 1 1 89 89 LEU HB3 H 1 1.087 0.001 . 1 . . . . . . . . 6241 1 1083 . 1 1 89 89 LEU CG C 13 26.674 0.080 . 1 . . . . . . . . 6241 1 1084 . 1 1 89 89 LEU CD1 C 13 22.329 0.080 . 1 . . . . . . . . 6241 1 1085 . 1 1 89 89 LEU HD11 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1086 . 1 1 89 89 LEU HD12 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1087 . 1 1 89 89 LEU HD13 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1088 . 1 1 89 89 LEU HD21 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1089 . 1 1 89 89 LEU HD22 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1090 . 1 1 89 89 LEU HD23 H 1 0.517 0.020 . 1 . . . . . . . . 6241 1 1091 . 1 1 89 89 LEU HG H 1 0.718 0.003 . 1 . . . . . . . . 6241 1 1092 . 1 1 90 90 GLU H H 1 8.731 0.001 . 1 . . . . . . . . 6241 1 1093 . 1 1 90 90 GLU N N 15 121.187 0.070 . 1 . . . . . . . . 6241 1 1094 . 1 1 90 90 GLU CA C 13 54.360 0.080 . 1 . . . . . . . . 6241 1 1095 . 1 1 90 90 GLU HA H 1 4.522 0.001 . 1 . . . . . . . . 6241 1 1096 . 1 1 90 90 GLU C C 13 173.800 0.080 . 1 . . . . . . . . 6241 1 1097 . 1 1 90 90 GLU CB C 13 34.078 0.080 . 1 . . . . . . . . 6241 1 1098 . 1 1 90 90 GLU HB2 H 1 1.944 0.020 . 1 . . . . . . . . 6241 1 1099 . 1 1 90 90 GLU HB3 H 1 1.810 0.001 . 1 . . . . . . . . 6241 1 1100 . 1 1 90 90 GLU CG C 13 36.010 0.080 . 1 . . . . . . . . 6241 1 1101 . 1 1 90 90 GLU HG2 H 1 2.118 0.020 . 1 . . . . . . . . 6241 1 1102 . 1 1 90 90 GLU HG3 H 1 2.118 0.020 . 1 . . . . . . . . 6241 1 1103 . 1 1 91 91 LEU H H 1 8.623 0.002 . 1 . . . . . . . . 6241 1 1104 . 1 1 91 91 LEU N N 15 121.656 0.070 . 1 . . . . . . . . 6241 1 1105 . 1 1 91 91 LEU CA C 13 53.670 0.080 . 1 . . . . . . . . 6241 1 1106 . 1 1 91 91 LEU HA H 1 5.246 0.001 . 1 . . . . . . . . 6241 1 1107 . 1 1 91 91 LEU C C 13 176.900 0.080 . 1 . . . . . . . . 6241 1 1108 . 1 1 91 91 LEU CB C 13 43.574 0.080 . 1 . . . . . . . . 6241 1 1109 . 1 1 91 91 LEU HB2 H 1 1.637 0.001 . 1 . . . . . . . . 6241 1 1110 . 1 1 91 91 LEU HB3 H 1 1.269 0.020 . 1 . . . . . . . . 6241 1 1111 . 1 1 91 91 LEU CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1112 . 1 1 91 91 LEU CD1 C 13 24.582 0.080 . 1 . . . . . . . . 6241 1 1113 . 1 1 91 91 LEU HD11 H 1 0.524 0.001 . 1 . . . . . . . . 6241 1 1114 . 1 1 91 91 LEU HD12 H 1 0.524 0.001 . 1 . . . . . . . . 6241 1 1115 . 1 1 91 91 LEU HD13 H 1 0.524 0.001 . 1 . . . . . . . . 6241 1 1116 . 1 1 91 91 LEU CD2 C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 1117 . 1 1 91 91 LEU HD21 H 1 0.404 0.020 . 1 . . . . . . . . 6241 1 1118 . 1 1 91 91 LEU HD22 H 1 0.404 0.020 . 1 . . . . . . . . 6241 1 1119 . 1 1 91 91 LEU HD23 H 1 0.404 0.020 . 1 . . . . . . . . 6241 1 1120 . 1 1 91 91 LEU HG H 1 1.437 0.020 . 1 . . . . . . . . 6241 1 1121 . 1 1 92 92 ILE H H 1 8.988 0.002 . 1 . . . . . . . . 6241 1 1122 . 1 1 92 92 ILE N N 15 123.687 0.070 . 1 . . . . . . . . 6241 1 1123 . 1 1 92 92 ILE CA C 13 59.320 0.080 . 1 . . . . . . . . 6241 1 1124 . 1 1 92 92 ILE HA H 1 4.539 0.002 . 1 . . . . . . . . 6241 1 1125 . 1 1 92 92 ILE C C 13 175.670 0.080 . 1 . . . . . . . . 6241 1 1126 . 1 1 92 92 ILE CB C 13 41.321 0.080 . 1 . . . . . . . . 6241 1 1127 . 1 1 92 92 ILE HB H 1 1.678 0.002 . 1 . . . . . . . . 6241 1 1128 . 1 1 92 92 ILE CG2 C 13 17.500 0.080 . 1 . . . . . . . . 6241 1 1129 . 1 1 92 92 ILE HG21 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1130 . 1 1 92 92 ILE HG22 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1131 . 1 1 92 92 ILE HG23 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1132 . 1 1 92 92 ILE CG1 C 13 27.801 0.080 . 1 . . . . . . . . 6241 1 1133 . 1 1 92 92 ILE HG12 H 1 1.444 0.020 . 1 . . . . . . . . 6241 1 1134 . 1 1 92 92 ILE HG13 H 1 1.192 0.020 . 1 . . . . . . . . 6241 1 1135 . 1 1 92 92 ILE CD1 C 13 13.476 0.080 . 1 . . . . . . . . 6241 1 1136 . 1 1 92 92 ILE HD11 H 1 0.843 0.001 . 1 . . . . . . . . 6241 1 1137 . 1 1 92 92 ILE HD12 H 1 0.843 0.001 . 1 . . . . . . . . 6241 1 1138 . 1 1 92 92 ILE HD13 H 1 0.843 0.001 . 1 . . . . . . . . 6241 1 1139 . 1 1 93 93 LEU H H 1 9.162 0.002 . 1 . . . . . . . . 6241 1 1140 . 1 1 93 93 LEU N N 15 129.937 0.070 . 1 . . . . . . . . 6241 1 1141 . 1 1 93 93 LEU CA C 13 56.730 0.080 . 1 . . . . . . . . 6241 1 1142 . 1 1 93 93 LEU HA H 1 4.249 0.020 . 1 . . . . . . . . 6241 1 1143 . 1 1 93 93 LEU C C 13 177.730 0.080 . 1 . . . . . . . . 6241 1 1144 . 1 1 93 93 LEU CB C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 1145 . 1 1 93 93 LEU HB2 H 1 1.790 0.002 . 1 . . . . . . . . 6241 1 1146 . 1 1 93 93 LEU HB3 H 1 1.685 0.001 . 1 . . . . . . . . 6241 1 1147 . 1 1 93 93 LEU CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 1148 . 1 1 93 93 LEU CD1 C 13 25.387 0.080 . 1 . . . . . . . . 6241 1 1149 . 1 1 93 93 LEU HD11 H 1 0.836 0.020 . 1 . . . . . . . . 6241 1 1150 . 1 1 93 93 LEU HD12 H 1 0.836 0.020 . 1 . . . . . . . . 6241 1 1151 . 1 1 93 93 LEU HD13 H 1 0.836 0.020 . 1 . . . . . . . . 6241 1 1152 . 1 1 93 93 LEU CD2 C 13 23.616 0.080 . 1 . . . . . . . . 6241 1 1153 . 1 1 93 93 LEU HD21 H 1 0.814 0.020 . 1 . . . . . . . . 6241 1 1154 . 1 1 93 93 LEU HD22 H 1 0.814 0.020 . 1 . . . . . . . . 6241 1 1155 . 1 1 93 93 LEU HD23 H 1 0.814 0.020 . 1 . . . . . . . . 6241 1 1156 . 1 1 93 93 LEU HG H 1 1.663 0.001 . 1 . . . . . . . . 6241 1 1157 . 1 1 94 94 PHE H H 1 9.050 0.020 . 1 . . . . . . . . 6241 1 1158 . 1 1 94 94 PHE N N 15 130.093 0.070 . 1 . . . . . . . . 6241 1 1159 . 1 1 94 94 PHE CA C 13 59.400 0.080 . 1 . . . . . . . . 6241 1 1160 . 1 1 94 94 PHE HA H 1 3.966 0.005 . 1 . . . . . . . . 6241 1 1161 . 1 1 94 94 PHE CB C 13 40.999 0.080 . 1 . . . . . . . . 6241 1 1162 . 1 1 94 94 PHE HB2 H 1 2.886 0.001 . 1 . . . . . . . . 6241 1 1163 . 1 1 94 94 PHE HB3 H 1 2.799 0.001 . 1 . . . . . . . . 6241 1 1164 . 1 1 94 94 PHE CD1 C 13 131.318 0.080 . 1 . . . . . . . . 6241 1 1165 . 1 1 94 94 PHE HD1 H 1 7.021 0.020 . 1 . . . . . . . . 6241 1 1166 . 1 1 94 94 PHE CD2 C 13 131.318 0.080 . 1 . . . . . . . . 6241 1 1167 . 1 1 94 94 PHE HD2 H 1 7.021 0.020 . 1 . . . . . . . . 6241 1 1168 . 1 1 94 94 PHE CE1 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1169 . 1 1 94 94 PHE HE1 H 1 7.346 0.020 . 1 . . . . . . . . 6241 1 1170 . 1 1 94 94 PHE CE2 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1171 . 1 1 94 94 PHE HE2 H 1 7.346 0.020 . 1 . . . . . . . . 6241 1 1172 . 1 1 94 94 PHE CZ C 13 130.260 0.000 . 1 . . . . . . . . 6241 1 1173 . 1 1 94 94 PHE HZ H 1 7.150 0.000 . 1 . . . . . . . . 6241 1 1174 . 1 1 95 95 ASN H H 1 7.859 0.004 . 1 . . . . . . . . 6241 1 1175 . 1 1 95 95 ASN CA C 13 52.170 0.080 . 1 . . . . . . . . 6241 1 1176 . 1 1 95 95 ASN HA H 1 4.579 0.001 . 1 . . . . . . . . 6241 1 1177 . 1 1 95 95 ASN C C 13 175.110 0.080 . 1 . . . . . . . . 6241 1 1178 . 1 1 95 95 ASN CB C 13 37.297 0.080 . 1 . . . . . . . . 6241 1 1179 . 1 1 95 95 ASN HB2 H 1 2.865 0.001 . 1 . . . . . . . . 6241 1 1180 . 1 1 95 95 ASN HB3 H 1 2.763 0.001 . 1 . . . . . . . . 6241 1 1181 . 1 1 95 95 ASN ND2 N 15 111.656 0.070 . 1 . . . . . . . . 6241 1 1182 . 1 1 95 95 ASN HD21 H 1 7.497 0.020 . 1 . . . . . . . . 6241 1 1183 . 1 1 95 95 ASN HD22 H 1 6.803 0.002 . 1 . . . . . . . . 6241 1 1184 . 1 1 96 96 SER H H 1 7.740 0.020 . 1 . . . . . . . . 6241 1 1185 . 1 1 96 96 SER N N 15 116.187 0.070 . 1 . . . . . . . . 6241 1 1186 . 1 1 96 96 SER CA C 13 56.650 0.080 . 1 . . . . . . . . 6241 1 1187 . 1 1 96 96 SER HA H 1 4.713 0.020 . 1 . . . . . . . . 6241 1 1188 . 1 1 96 96 SER CB C 13 63.860 0.080 . 1 . . . . . . . . 6241 1 1189 . 1 1 96 96 SER HB2 H 1 4.439 0.001 . 1 . . . . . . . . 6241 1 1190 . 1 1 96 96 SER HB3 H 1 4.137 0.001 . 1 . . . . . . . . 6241 1 1191 . 1 1 97 97 PRO CA C 13 65.400 0.080 . 1 . . . . . . . . 6241 1 1192 . 1 1 97 97 PRO HA H 1 4.300 0.002 . 1 . . . . . . . . 6241 1 1193 . 1 1 97 97 PRO C C 13 179.190 0.080 . 1 . . . . . . . . 6241 1 1194 . 1 1 97 97 PRO CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 1195 . 1 1 97 97 PRO HB2 H 1 2.383 0.020 . 1 . . . . . . . . 6241 1 1196 . 1 1 97 97 PRO HB3 H 1 1.949 0.003 . 1 . . . . . . . . 6241 1 1197 . 1 1 97 97 PRO CG C 13 27.801 0.080 . 1 . . . . . . . . 6241 1 1198 . 1 1 97 97 PRO HG2 H 1 2.240 0.001 . 1 . . . . . . . . 6241 1 1199 . 1 1 97 97 PRO HG3 H 1 2.085 0.002 . 1 . . . . . . . . 6241 1 1200 . 1 1 97 97 PRO CD C 13 51.200 0.080 . 1 . . . . . . . . 6241 1 1201 . 1 1 97 97 PRO HD2 H 1 3.966 0.020 . 1 . . . . . . . . 6241 1 1202 . 1 1 97 97 PRO HD3 H 1 3.966 0.020 . 1 . . . . . . . . 6241 1 1203 . 1 1 98 98 GLU H H 1 8.933 0.002 . 1 . . . . . . . . 6241 1 1204 . 1 1 98 98 GLU N N 15 116.031 0.070 . 1 . . . . . . . . 6241 1 1205 . 1 1 98 98 GLU CA C 13 59.760 0.080 . 1 . . . . . . . . 6241 1 1206 . 1 1 98 98 GLU HA H 1 3.951 0.004 . 1 . . . . . . . . 6241 1 1207 . 1 1 98 98 GLU C C 13 177.830 0.080 . 1 . . . . . . . . 6241 1 1208 . 1 1 98 98 GLU CB C 13 28.928 0.080 . 1 . . . . . . . . 6241 1 1209 . 1 1 98 98 GLU HB2 H 1 2.102 0.002 . 1 . . . . . . . . 6241 1 1210 . 1 1 98 98 GLU HB3 H 1 1.993 0.020 . 1 . . . . . . . . 6241 1 1211 . 1 1 98 98 GLU CG C 13 36.814 0.080 . 1 . . . . . . . . 6241 1 1212 . 1 1 98 98 GLU HG2 H 1 2.504 0.005 . 1 . . . . . . . . 6241 1 1213 . 1 1 98 98 GLU HG3 H 1 2.297 0.001 . 1 . . . . . . . . 6241 1 1214 . 1 1 99 99 TYR H H 1 7.530 0.020 . 1 . . . . . . . . 6241 1 1215 . 1 1 99 99 TYR N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 1216 . 1 1 99 99 TYR CA C 13 61.040 0.080 . 1 . . . . . . . . 6241 1 1217 . 1 1 99 99 TYR HA H 1 4.306 0.003 . 1 . . . . . . . . 6241 1 1218 . 1 1 99 99 TYR C C 13 179.240 0.080 . 1 . . . . . . . . 6241 1 1219 . 1 1 99 99 TYR CB C 13 39.390 0.080 . 1 . . . . . . . . 6241 1 1220 . 1 1 99 99 TYR HB2 H 1 3.067 0.001 . 1 . . . . . . . . 6241 1 1221 . 1 1 99 99 TYR HB3 H 1 2.956 0.002 . 1 . . . . . . . . 6241 1 1222 . 1 1 99 99 TYR CD1 C 13 133.298 0.080 . 1 . . . . . . . . 6241 1 1223 . 1 1 99 99 TYR HD1 H 1 7.146 0.020 . 1 . . . . . . . . 6241 1 1224 . 1 1 99 99 TYR CD2 C 13 133.298 0.080 . 1 . . . . . . . . 6241 1 1225 . 1 1 99 99 TYR HD2 H 1 7.146 0.020 . 1 . . . . . . . . 6241 1 1226 . 1 1 99 99 TYR CE1 C 13 118.384 0.080 . 1 . . . . . . . . 6241 1 1227 . 1 1 99 99 TYR HE1 H 1 6.812 0.020 . 1 . . . . . . . . 6241 1 1228 . 1 1 99 99 TYR HE2 H 1 6.812 0.020 . 1 . . . . . . . . 6241 1 1229 . 1 1 100 100 GLN H H 1 8.646 0.004 . 1 . . . . . . . . 6241 1 1230 . 1 1 100 100 GLN N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 1231 . 1 1 100 100 GLN CA C 13 58.830 0.080 . 1 . . . . . . . . 6241 1 1232 . 1 1 100 100 GLN HA H 1 3.744 0.003 . 1 . . . . . . . . 6241 1 1233 . 1 1 100 100 GLN CB C 13 28.445 0.080 . 1 . . . . . . . . 6241 1 1234 . 1 1 100 100 GLN HB2 H 1 2.079 0.003 . 1 . . . . . . . . 6241 1 1235 . 1 1 100 100 GLN HB3 H 1 1.991 0.005 . 1 . . . . . . . . 6241 1 1236 . 1 1 100 100 GLN CG C 13 33.917 0.080 . 1 . . . . . . . . 6241 1 1237 . 1 1 100 100 GLN HG2 H 1 2.489 0.001 . 1 . . . . . . . . 6241 1 1238 . 1 1 100 100 GLN HG3 H 1 2.400 0.001 . 1 . . . . . . . . 6241 1 1239 . 1 1 100 100 GLN NE2 N 15 112.590 0.000 . 1 . . . . . . . . 6241 1 1240 . 1 1 100 100 GLN HE21 H 1 7.323 0.000 . 1 . . . . . . . . 6241 1 1241 . 1 1 100 100 GLN HE22 H 1 6.342 0.000 . 1 . . . . . . . . 6241 1 1242 . 1 1 101 101 ARG H H 1 7.918 0.002 . 1 . . . . . . . . 6241 1 1243 . 1 1 101 101 ARG N N 15 117.125 0.070 . 1 . . . . . . . . 6241 1 1244 . 1 1 101 101 ARG CA C 13 58.120 0.080 . 1 . . . . . . . . 6241 1 1245 . 1 1 101 101 ARG HA H 1 4.067 0.001 . 1 . . . . . . . . 6241 1 1246 . 1 1 101 101 ARG CB C 13 29.893 0.080 . 1 . . . . . . . . 6241 1 1247 . 1 1 101 101 ARG HB2 H 1 1.920 0.020 . 1 . . . . . . . . 6241 1 1248 . 1 1 101 101 ARG HB3 H 1 1.824 0.001 . 1 . . . . . . . . 6241 1 1249 . 1 1 101 101 ARG CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1250 . 1 1 101 101 ARG HG2 H 1 1.691 0.003 . 1 . . . . . . . . 6241 1 1251 . 1 1 101 101 ARG HG3 H 1 1.569 0.004 . 1 . . . . . . . . 6241 1 1252 . 1 1 101 101 ARG CD C 13 43.574 0.080 . 1 . . . . . . . . 6241 1 1253 . 1 1 101 101 ARG HD2 H 1 3.168 0.020 . 1 . . . . . . . . 6241 1 1254 . 1 1 101 101 ARG HD3 H 1 3.168 0.020 . 1 . . . . . . . . 6241 1 1255 . 1 1 102 102 LEU H H 1 7.306 0.009 . 1 . . . . . . . . 6241 1 1256 . 1 1 102 102 LEU N N 15 117.906 0.070 . 1 . . . . . . . . 6241 1 1257 . 1 1 102 102 LEU CA C 13 55.790 0.080 . 1 . . . . . . . . 6241 1 1258 . 1 1 102 102 LEU HA H 1 3.989 0.003 . 1 . . . . . . . . 6241 1 1259 . 1 1 102 102 LEU C C 13 176.900 0.080 . 1 . . . . . . . . 6241 1 1260 . 1 1 102 102 LEU CB C 13 41.482 0.080 . 1 . . . . . . . . 6241 1 1261 . 1 1 102 102 LEU HB2 H 1 1.640 0.001 . 1 . . . . . . . . 6241 1 1262 . 1 1 102 102 LEU HB3 H 1 1.333 0.003 . 1 . . . . . . . . 6241 1 1263 . 1 1 102 102 LEU CG C 13 26.513 0.080 . 1 . . . . . . . . 6241 1 1264 . 1 1 102 102 LEU CD1 C 13 25.869 0.080 . 1 . . . . . . . . 6241 1 1265 . 1 1 102 102 LEU HD11 H 1 0.927 0.002 . 1 . . . . . . . . 6241 1 1266 . 1 1 102 102 LEU HD12 H 1 0.927 0.002 . 1 . . . . . . . . 6241 1 1267 . 1 1 102 102 LEU HD13 H 1 0.927 0.002 . 1 . . . . . . . . 6241 1 1268 . 1 1 102 102 LEU CD2 C 13 21.524 0.080 . 1 . . . . . . . . 6241 1 1269 . 1 1 102 102 LEU HD21 H 1 0.798 0.002 . 1 . . . . . . . . 6241 1 1270 . 1 1 102 102 LEU HD22 H 1 0.798 0.002 . 1 . . . . . . . . 6241 1 1271 . 1 1 102 102 LEU HD23 H 1 0.798 0.002 . 1 . . . . . . . . 6241 1 1272 . 1 1 102 102 LEU HG H 1 1.763 0.004 . 1 . . . . . . . . 6241 1 1273 . 1 1 103 103 ARG H H 1 7.485 0.001 . 1 . . . . . . . . 6241 1 1274 . 1 1 103 103 ARG N N 15 114.312 0.070 . 1 . . . . . . . . 6241 1 1275 . 1 1 103 103 ARG CA C 13 56.600 0.080 . 1 . . . . . . . . 6241 1 1276 . 1 1 103 103 ARG HA H 1 3.733 0.001 . 1 . . . . . . . . 6241 1 1277 . 1 1 103 103 ARG C C 13 175.330 0.080 . 1 . . . . . . . . 6241 1 1278 . 1 1 103 103 ARG CB C 13 27.318 0.080 . 1 . . . . . . . . 6241 1 1279 . 1 1 103 103 ARG HB2 H 1 1.844 0.020 . 1 . . . . . . . . 6241 1 1280 . 1 1 103 103 ARG HB3 H 1 1.844 0.020 . 1 . . . . . . . . 6241 1 1281 . 1 1 103 103 ARG CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1282 . 1 1 103 103 ARG HG2 H 1 1.557 0.020 . 1 . . . . . . . . 6241 1 1283 . 1 1 103 103 ARG HG3 H 1 1.518 0.020 . 1 . . . . . . . . 6241 1 1284 . 1 1 103 103 ARG CD C 13 43.413 0.080 . 1 . . . . . . . . 6241 1 1285 . 1 1 103 103 ARG HD2 H 1 3.172 0.020 . 1 . . . . . . . . 6241 1 1286 . 1 1 103 103 ARG HD3 H 1 3.430 0.020 . 1 . . . . . . . . 6241 1 1287 . 1 1 104 104 ILE H H 1 8.241 0.002 . 1 . . . . . . . . 6241 1 1288 . 1 1 104 104 ILE N N 15 121.500 0.070 . 1 . . . . . . . . 6241 1 1289 . 1 1 104 104 ILE CA C 13 60.700 0.080 . 1 . . . . . . . . 6241 1 1290 . 1 1 104 104 ILE HA H 1 3.902 0.004 . 1 . . . . . . . . 6241 1 1291 . 1 1 104 104 ILE C C 13 177.290 0.080 . 1 . . . . . . . . 6241 1 1292 . 1 1 104 104 ILE CB C 13 39.068 0.080 . 1 . . . . . . . . 6241 1 1293 . 1 1 104 104 ILE HB H 1 1.470 0.001 . 1 . . . . . . . . 6241 1 1294 . 1 1 104 104 ILE CG2 C 13 17.017 0.080 . 1 . . . . . . . . 6241 1 1295 . 1 1 104 104 ILE HG21 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1296 . 1 1 104 104 ILE HG22 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1297 . 1 1 104 104 ILE HG23 H 1 0.895 0.001 . 1 . . . . . . . . 6241 1 1298 . 1 1 104 104 ILE CG1 C 13 27.962 0.080 . 1 . . . . . . . . 6241 1 1299 . 1 1 104 104 ILE HG12 H 1 1.301 0.002 . 1 . . . . . . . . 6241 1 1300 . 1 1 104 104 ILE HG13 H 1 0.917 0.020 . 1 . . . . . . . . 6241 1 1301 . 1 1 104 104 ILE CD1 C 13 13.315 0.080 . 1 . . . . . . . . 6241 1 1302 . 1 1 104 104 ILE HD11 H 1 0.772 0.001 . 1 . . . . . . . . 6241 1 1303 . 1 1 104 104 ILE HD12 H 1 0.772 0.001 . 1 . . . . . . . . 6241 1 1304 . 1 1 104 104 ILE HD13 H 1 0.772 0.001 . 1 . . . . . . . . 6241 1 1305 . 1 1 105 105 ASP H H 1 8.974 0.020 . 1 . . . . . . . . 6241 1 1306 . 1 1 105 105 ASP N N 15 132.593 0.070 . 1 . . . . . . . . 6241 1 1307 . 1 1 105 105 ASP CA C 13 51.920 0.080 . 1 . . . . . . . . 6241 1 1308 . 1 1 105 105 ASP HA H 1 4.799 0.005 . 1 . . . . . . . . 6241 1 1309 . 1 1 105 105 ASP CB C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 1310 . 1 1 105 105 ASP HB2 H 1 2.897 0.002 . 1 . . . . . . . . 6241 1 1311 . 1 1 105 105 ASP HB3 H 1 2.574 0.003 . 1 . . . . . . . . 6241 1 1312 . 1 1 106 106 PRO CA C 13 65.840 0.080 . 1 . . . . . . . . 6241 1 1313 . 1 1 106 106 PRO HA H 1 4.535 0.020 . 1 . . . . . . . . 6241 1 1314 . 1 1 106 106 PRO C C 13 176.770 0.080 . 1 . . . . . . . . 6241 1 1315 . 1 1 106 106 PRO CB C 13 32.308 0.080 . 1 . . . . . . . . 6241 1 1316 . 1 1 106 106 PRO HB2 H 1 2.247 0.001 . 1 . . . . . . . . 6241 1 1317 . 1 1 106 106 PRO HB3 H 1 1.598 0.020 . 1 . . . . . . . . 6241 1 1318 . 1 1 106 106 PRO CG C 13 27.318 0.080 . 1 . . . . . . . . 6241 1 1319 . 1 1 106 106 PRO HG2 H 1 2.240 0.020 . 1 . . . . . . . . 6241 1 1320 . 1 1 106 106 PRO HG3 H 1 1.927 0.002 . 1 . . . . . . . . 6241 1 1321 . 1 1 106 106 PRO CD C 13 51.200 0.080 . 1 . . . . . . . . 6241 1 1322 . 1 1 106 106 PRO HD2 H 1 4.151 0.002 . 1 . . . . . . . . 6241 1 1323 . 1 1 106 106 PRO HD3 H 1 4.049 0.002 . 1 . . . . . . . . 6241 1 1324 . 1 1 107 107 ILE H H 1 7.721 0.003 . 1 . . . . . . . . 6241 1 1325 . 1 1 107 107 ILE N N 15 109.624 0.070 . 1 . . . . . . . . 6241 1 1326 . 1 1 107 107 ILE CA C 13 63.520 0.080 . 1 . . . . . . . . 6241 1 1327 . 1 1 107 107 ILE HA H 1 4.068 0.004 . 1 . . . . . . . . 6241 1 1328 . 1 1 107 107 ILE CB C 13 38.585 0.080 . 1 . . . . . . . . 6241 1 1329 . 1 1 107 107 ILE HB H 1 2.061 0.002 . 1 . . . . . . . . 6241 1 1330 . 1 1 107 107 ILE CG2 C 13 18.466 0.080 . 1 . . . . . . . . 6241 1 1331 . 1 1 107 107 ILE HG21 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1332 . 1 1 107 107 ILE HG22 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1333 . 1 1 107 107 ILE HG23 H 1 1.021 0.001 . 1 . . . . . . . . 6241 1 1334 . 1 1 107 107 ILE CG1 C 13 26.674 0.080 . 1 . . . . . . . . 6241 1 1335 . 1 1 107 107 ILE HG12 H 1 1.369 0.002 . 1 . . . . . . . . 6241 1 1336 . 1 1 107 107 ILE HG13 H 1 1.285 0.002 . 1 . . . . . . . . 6241 1 1337 . 1 1 107 107 ILE CD1 C 13 14.603 0.080 . 1 . . . . . . . . 6241 1 1338 . 1 1 107 107 ILE HD11 H 1 0.947 0.001 . 1 . . . . . . . . 6241 1 1339 . 1 1 107 107 ILE HD12 H 1 0.947 0.001 . 1 . . . . . . . . 6241 1 1340 . 1 1 107 107 ILE HD13 H 1 0.947 0.001 . 1 . . . . . . . . 6241 1 1341 . 1 1 108 108 ASN H H 1 8.659 0.020 . 1 . . . . . . . . 6241 1 1342 . 1 1 108 108 ASN N N 15 117.125 0.070 . 1 . . . . . . . . 6241 1 1343 . 1 1 108 108 ASN CA C 13 53.800 0.080 . 1 . . . . . . . . 6241 1 1344 . 1 1 108 108 ASN HA H 1 4.984 0.004 . 1 . . . . . . . . 6241 1 1345 . 1 1 108 108 ASN C C 13 177.320 0.080 . 1 . . . . . . . . 6241 1 1346 . 1 1 108 108 ASN CB C 13 39.068 0.080 . 1 . . . . . . . . 6241 1 1347 . 1 1 108 108 ASN HB2 H 1 3.164 0.002 . 1 . . . . . . . . 6241 1 1348 . 1 1 108 108 ASN HB3 H 1 2.905 0.001 . 1 . . . . . . . . 6241 1 1349 . 1 1 108 108 ASN ND2 N 15 113.531 0.070 . 1 . . . . . . . . 6241 1 1350 . 1 1 108 108 ASN HD21 H 1 7.896 0.001 . 1 . . . . . . . . 6241 1 1351 . 1 1 108 108 ASN HD22 H 1 7.121 0.001 . 1 . . . . . . . . 6241 1 1352 . 1 1 109 109 GLU H H 1 7.673 0.005 . 1 . . . . . . . . 6241 1 1353 . 1 1 109 109 GLU N N 15 120.875 0.070 . 1 . . . . . . . . 6241 1 1354 . 1 1 109 109 GLU CA C 13 56.460 0.080 . 1 . . . . . . . . 6241 1 1355 . 1 1 109 109 GLU HA H 1 4.838 0.020 . 1 . . . . . . . . 6241 1 1356 . 1 1 109 109 GLU C C 13 173.580 0.080 . 1 . . . . . . . . 6241 1 1357 . 1 1 109 109 GLU CB C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 1358 . 1 1 109 109 GLU HB2 H 1 2.078 0.020 . 1 . . . . . . . . 6241 1 1359 . 1 1 109 109 GLU HB3 H 1 2.078 0.020 . 1 . . . . . . . . 6241 1 1360 . 1 1 109 109 GLU CG C 13 36.010 0.080 . 1 . . . . . . . . 6241 1 1361 . 1 1 109 109 GLU HG2 H 1 2.459 0.002 . 1 . . . . . . . . 6241 1 1362 . 1 1 109 109 GLU HG3 H 1 2.284 0.020 . 1 . . . . . . . . 6241 1 1363 . 1 1 110 110 ARG H H 1 8.728 0.001 . 1 . . . . . . . . 6241 1 1364 . 1 1 110 110 ARG N N 15 113.374 0.070 . 1 . . . . . . . . 6241 1 1365 . 1 1 110 110 ARG CA C 13 57.220 0.080 . 1 . . . . . . . . 6241 1 1366 . 1 1 110 110 ARG HA H 1 4.457 0.001 . 1 . . . . . . . . 6241 1 1367 . 1 1 110 110 ARG C C 13 177.010 0.080 . 1 . . . . . . . . 6241 1 1368 . 1 1 110 110 ARG CB C 13 33.273 0.080 . 1 . . . . . . . . 6241 1 1369 . 1 1 110 110 ARG HB2 H 1 1.925 0.020 . 1 . . . . . . . . 6241 1 1370 . 1 1 110 110 ARG HB3 H 1 1.925 0.020 . 1 . . . . . . . . 6241 1 1371 . 1 1 110 110 ARG CG C 13 27.640 0.080 . 1 . . . . . . . . 6241 1 1372 . 1 1 110 110 ARG HG2 H 1 1.789 0.002 . 1 . . . . . . . . 6241 1 1373 . 1 1 110 110 ARG HG3 H 1 1.639 0.001 . 1 . . . . . . . . 6241 1 1374 . 1 1 110 110 ARG CD C 13 43.574 0.080 . 1 . . . . . . . . 6241 1 1375 . 1 1 110 110 ARG HD2 H 1 3.249 0.020 . 1 . . . . . . . . 6241 1 1376 . 1 1 110 110 ARG HD3 H 1 3.249 0.020 . 1 . . . . . . . . 6241 1 1377 . 1 1 110 110 ARG NE N 15 85.250 0.070 . 1 . . . . . . . . 6241 1 1378 . 1 1 110 110 ARG HE H 1 7.381 0.020 . 1 . . . . . . . . 6241 1 1379 . 1 1 111 111 SER H H 1 7.895 0.020 . 1 . . . . . . . . 6241 1 1380 . 1 1 111 111 SER N N 15 110.249 0.070 . 1 . . . . . . . . 6241 1 1381 . 1 1 111 111 SER CA C 13 59.070 0.080 . 1 . . . . . . . . 6241 1 1382 . 1 1 111 111 SER HA H 1 5.230 0.002 . 1 . . . . . . . . 6241 1 1383 . 1 1 111 111 SER C C 13 171.160 0.080 . 1 . . . . . . . . 6241 1 1384 . 1 1 111 111 SER CB C 13 65.790 0.080 . 1 . . . . . . . . 6241 1 1385 . 1 1 111 111 SER HB2 H 1 3.755 0.001 . 1 . . . . . . . . 6241 1 1386 . 1 1 111 111 SER HB3 H 1 3.670 0.001 . 1 . . . . . . . . 6241 1 1387 . 1 1 112 112 PHE H H 1 9.369 0.020 . 1 . . . . . . . . 6241 1 1388 . 1 1 112 112 PHE N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 1389 . 1 1 112 112 PHE CA C 13 56.010 0.080 . 1 . . . . . . . . 6241 1 1390 . 1 1 112 112 PHE HA H 1 5.629 0.005 . 1 . . . . . . . . 6241 1 1391 . 1 1 112 112 PHE C C 13 175.530 0.080 . 1 . . . . . . . . 6241 1 1392 . 1 1 112 112 PHE CB C 13 42.930 0.080 . 1 . . . . . . . . 6241 1 1393 . 1 1 112 112 PHE HB2 H 1 2.839 0.003 . 1 . . . . . . . . 6241 1 1394 . 1 1 112 112 PHE HB3 H 1 2.443 0.002 . 1 . . . . . . . . 6241 1 1395 . 1 1 112 112 PHE CD1 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1396 . 1 1 112 112 PHE HD1 H 1 6.810 0.020 . 1 . . . . . . . . 6241 1 1397 . 1 1 112 112 PHE CD2 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1398 . 1 1 112 112 PHE HD2 H 1 6.810 0.020 . 1 . . . . . . . . 6241 1 1399 . 1 1 112 112 PHE CE1 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1400 . 1 1 112 112 PHE HE1 H 1 6.840 0.020 . 1 . . . . . . . . 6241 1 1401 . 1 1 112 112 PHE CE2 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1402 . 1 1 112 112 PHE HE2 H 1 6.840 0.020 . 1 . . . . . . . . 6241 1 1403 . 1 1 112 112 PHE CZ C 13 129.075 0.000 . 1 . . . . . . . . 6241 1 1404 . 1 1 112 112 PHE HZ H 1 7.050 0.000 . 1 . . . . . . . . 6241 1 1405 . 1 1 113 113 ILE H H 1 9.458 0.003 . 1 . . . . . . . . 6241 1 1406 . 1 1 113 113 ILE N N 15 119.156 0.070 . 1 . . . . . . . . 6241 1 1407 . 1 1 113 113 ILE CA C 13 60.160 0.080 . 1 . . . . . . . . 6241 1 1408 . 1 1 113 113 ILE HA H 1 5.133 0.004 . 1 . . . . . . . . 6241 1 1409 . 1 1 113 113 ILE C C 13 174.670 0.080 . 1 . . . . . . . . 6241 1 1410 . 1 1 113 113 ILE CB C 13 42.126 0.080 . 1 . . . . . . . . 6241 1 1411 . 1 1 113 113 ILE HB H 1 1.686 0.001 . 1 . . . . . . . . 6241 1 1412 . 1 1 113 113 ILE CG2 C 13 18.788 0.080 . 1 . . . . . . . . 6241 1 1413 . 1 1 113 113 ILE HG21 H 1 1.057 0.001 . 1 . . . . . . . . 6241 1 1414 . 1 1 113 113 ILE HG22 H 1 1.057 0.001 . 1 . . . . . . . . 6241 1 1415 . 1 1 113 113 ILE HG23 H 1 1.057 0.001 . 1 . . . . . . . . 6241 1 1416 . 1 1 113 113 ILE CG1 C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1417 . 1 1 113 113 ILE HG12 H 1 1.613 0.002 . 1 . . . . . . . . 6241 1 1418 . 1 1 113 113 ILE HG13 H 1 1.043 0.003 . 1 . . . . . . . . 6241 1 1419 . 1 1 113 113 ILE CD1 C 13 14.281 0.080 . 1 . . . . . . . . 6241 1 1420 . 1 1 113 113 ILE HD11 H 1 0.606 0.002 . 1 . . . . . . . . 6241 1 1421 . 1 1 113 113 ILE HD12 H 1 0.606 0.002 . 1 . . . . . . . . 6241 1 1422 . 1 1 113 113 ILE HD13 H 1 0.606 0.002 . 1 . . . . . . . . 6241 1 1423 . 1 1 114 114 CYS H H 1 9.030 0.009 . 1 . . . . . . . . 6241 1 1424 . 1 1 114 114 CYS N N 15 123.375 0.070 . 1 . . . . . . . . 6241 1 1425 . 1 1 114 114 CYS CA C 13 55.900 0.080 . 1 . . . . . . . . 6241 1 1426 . 1 1 114 114 CYS HA H 1 5.304 0.001 . 1 . . . . . . . . 6241 1 1427 . 1 1 114 114 CYS C C 13 174.000 0.080 . 1 . . . . . . . . 6241 1 1428 . 1 1 114 114 CYS CB C 13 30.376 0.080 . 1 . . . . . . . . 6241 1 1429 . 1 1 114 114 CYS HB2 H 1 2.058 0.001 . 1 . . . . . . . . 6241 1 1430 . 1 1 114 114 CYS HB3 H 1 1.661 0.002 . 1 . . . . . . . . 6241 1 1431 . 1 1 115 115 ASN H H 1 9.137 0.006 . 1 . . . . . . . . 6241 1 1432 . 1 1 115 115 ASN N N 15 120.562 0.070 . 1 . . . . . . . . 6241 1 1433 . 1 1 115 115 ASN CA C 13 51.720 0.080 . 1 . . . . . . . . 6241 1 1434 . 1 1 115 115 ASN HA H 1 5.499 0.003 . 1 . . . . . . . . 6241 1 1435 . 1 1 115 115 ASN C C 13 172.640 0.080 . 1 . . . . . . . . 6241 1 1436 . 1 1 115 115 ASN CB C 13 44.057 0.080 . 1 . . . . . . . . 6241 1 1437 . 1 1 115 115 ASN HB2 H 1 1.655 0.002 . 1 . . . . . . . . 6241 1 1438 . 1 1 115 115 ASN HB3 H 1 1.072 0.003 . 1 . . . . . . . . 6241 1 1439 . 1 1 115 115 ASN ND2 N 15 109.310 0.070 . 1 . . . . . . . . 6241 1 1440 . 1 1 115 115 ASN HD21 H 1 6.450 0.020 . 1 . . . . . . . . 6241 1 1441 . 1 1 115 115 ASN HD22 H 1 4.660 0.020 . 1 . . . . . . . . 6241 1 1442 . 1 1 116 116 TYR H H 1 8.293 0.001 . 1 . . . . . . . . 6241 1 1443 . 1 1 116 116 TYR N N 15 128.218 0.070 . 1 . . . . . . . . 6241 1 1444 . 1 1 116 116 TYR CA C 13 57.560 0.080 . 1 . . . . . . . . 6241 1 1445 . 1 1 116 116 TYR HA H 1 4.216 0.002 . 1 . . . . . . . . 6241 1 1446 . 1 1 116 116 TYR C C 13 176.810 0.080 . 1 . . . . . . . . 6241 1 1447 . 1 1 116 116 TYR CB C 13 38.424 0.080 . 1 . . . . . . . . 6241 1 1448 . 1 1 116 116 TYR HB2 H 1 1.927 0.020 . 1 . . . . . . . . 6241 1 1449 . 1 1 116 116 TYR HB3 H 1 1.110 0.001 . 1 . . . . . . . . 6241 1 1450 . 1 1 116 116 TYR CD1 C 13 132.638 0.080 . 1 . . . . . . . . 6241 1 1451 . 1 1 116 116 TYR HD1 H 1 6.768 0.020 . 1 . . . . . . . . 6241 1 1452 . 1 1 116 116 TYR CD2 C 13 132.638 0.080 . 1 . . . . . . . . 6241 1 1453 . 1 1 116 116 TYR HD2 H 1 6.768 0.020 . 1 . . . . . . . . 6241 1 1454 . 1 1 116 116 TYR CE1 C 13 118.120 0.080 . 1 . . . . . . . . 6241 1 1455 . 1 1 116 116 TYR HE1 H 1 6.773 0.020 . 1 . . . . . . . . 6241 1 1456 . 1 1 116 116 TYR CE2 C 13 118.120 0.080 . 1 . . . . . . . . 6241 1 1457 . 1 1 116 116 TYR HE2 H 1 6.773 0.020 . 1 . . . . . . . . 6241 1 1458 . 1 1 117 117 LYS H H 1 8.881 0.002 . 1 . . . . . . . . 6241 1 1459 . 1 1 117 117 LYS N N 15 126.656 0.070 . 1 . . . . . . . . 6241 1 1460 . 1 1 117 117 LYS CA C 13 58.580 0.080 . 1 . . . . . . . . 6241 1 1461 . 1 1 117 117 LYS HA H 1 3.437 0.003 . 1 . . . . . . . . 6241 1 1462 . 1 1 117 117 LYS C C 13 175.700 0.080 . 1 . . . . . . . . 6241 1 1463 . 1 1 117 117 LYS CB C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 1464 . 1 1 117 117 LYS HB2 H 1 1.687 0.001 . 1 . . . . . . . . 6241 1 1465 . 1 1 117 117 LYS HB3 H 1 1.555 0.020 . 1 . . . . . . . . 6241 1 1466 . 1 1 117 117 LYS CG C 13 24.743 0.080 . 1 . . . . . . . . 6241 1 1467 . 1 1 117 117 LYS HG2 H 1 0.697 0.004 . 1 . . . . . . . . 6241 1 1468 . 1 1 117 117 LYS HG3 H 1 0.361 0.004 . 1 . . . . . . . . 6241 1 1469 . 1 1 117 117 LYS CD C 13 28.928 0.080 . 1 . . . . . . . . 6241 1 1470 . 1 1 117 117 LYS HD2 H 1 1.423 0.001 . 1 . . . . . . . . 6241 1 1471 . 1 1 117 117 LYS HD3 H 1 1.373 0.001 . 1 . . . . . . . . 6241 1 1472 . 1 1 117 117 LYS CE C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 1473 . 1 1 117 117 LYS HE2 H 1 2.794 0.005 . 1 . . . . . . . . 6241 1 1474 . 1 1 117 117 LYS HE3 H 1 2.735 0.001 . 1 . . . . . . . . 6241 1 1475 . 1 1 118 118 GLU H H 1 9.220 0.020 . 1 . . . . . . . . 6241 1 1476 . 1 1 118 118 GLU N N 15 123.843 0.070 . 1 . . . . . . . . 6241 1 1477 . 1 1 118 118 GLU CA C 13 57.830 0.080 . 1 . . . . . . . . 6241 1 1478 . 1 1 118 118 GLU HA H 1 4.407 0.002 . 1 . . . . . . . . 6241 1 1479 . 1 1 118 118 GLU C C 13 175.300 0.080 . 1 . . . . . . . . 6241 1 1480 . 1 1 118 118 GLU CB C 13 28.767 0.080 . 1 . . . . . . . . 6241 1 1481 . 1 1 118 118 GLU HB2 H 1 2.163 0.020 . 1 . . . . . . . . 6241 1 1482 . 1 1 118 118 GLU HB3 H 1 2.163 0.020 . 1 . . . . . . . . 6241 1 1483 . 1 1 118 118 GLU CG C 13 36.170 0.080 . 1 . . . . . . . . 6241 1 1484 . 1 1 118 118 GLU HG2 H 1 2.326 0.020 . 1 . . . . . . . . 6241 1 1485 . 1 1 118 118 GLU HG3 H 1 2.326 0.020 . 1 . . . . . . . . 6241 1 1486 . 1 1 119 119 HIS H H 1 8.538 0.020 . 1 . . . . . . . . 6241 1 1487 . 1 1 119 119 HIS N N 15 121.656 0.070 . 1 . . . . . . . . 6241 1 1488 . 1 1 119 119 HIS CA C 13 56.650 0.080 . 1 . . . . . . . . 6241 1 1489 . 1 1 119 119 HIS HA H 1 5.189 0.020 . 1 . . . . . . . . 6241 1 1490 . 1 1 119 119 HIS C C 13 174.840 0.080 . 1 . . . . . . . . 6241 1 1491 . 1 1 119 119 HIS CB C 13 33.112 0.080 . 1 . . . . . . . . 6241 1 1492 . 1 1 119 119 HIS HB2 H 1 3.494 0.001 . 1 . . . . . . . . 6241 1 1493 . 1 1 119 119 HIS HB3 H 1 3.187 0.006 . 1 . . . . . . . . 6241 1 1494 . 1 1 119 119 HIS CD2 C 13 117.196 0.080 . 1 . . . . . . . . 6241 1 1495 . 1 1 119 119 HIS HD2 H 1 7.519 0.020 . 1 . . . . . . . . 6241 1 1496 . 1 1 119 119 HIS HE1 H 1 7.714 0.001 . 1 . . . . . . . . 6241 1 1497 . 1 1 120 120 TRP H H 1 7.613 0.020 . 1 . . . . . . . . 6241 1 1498 . 1 1 120 120 TRP N N 15 129.937 0.070 . 1 . . . . . . . . 6241 1 1499 . 1 1 120 120 TRP CA C 13 55.870 0.080 . 1 . . . . . . . . 6241 1 1500 . 1 1 120 120 TRP HA H 1 5.710 0.007 . 1 . . . . . . . . 6241 1 1501 . 1 1 120 120 TRP C C 13 176.130 0.080 . 1 . . . . . . . . 6241 1 1502 . 1 1 120 120 TRP CB C 13 32.308 0.080 . 1 . . . . . . . . 6241 1 1503 . 1 1 120 120 TRP HB2 H 1 3.619 0.002 . 1 . . . . . . . . 6241 1 1504 . 1 1 120 120 TRP HB3 H 1 2.801 0.003 . 1 . . . . . . . . 6241 1 1505 . 1 1 120 120 TRP CD1 C 13 126.831 0.080 . 1 . . . . . . . . 6241 1 1506 . 1 1 120 120 TRP HD1 H 1 7.383 0.020 . 1 . . . . . . . . 6241 1 1507 . 1 1 120 120 TRP NE1 N 15 131.031 0.070 . 1 . . . . . . . . 6241 1 1508 . 1 1 120 120 TRP HE1 H 1 10.310 0.004 . 1 . . . . . . . . 6241 1 1509 . 1 1 120 120 TRP CE3 C 13 120.100 0.080 . 1 . . . . . . . . 6241 1 1510 . 1 1 120 120 TRP HE3 H 1 7.363 0.001 . 1 . . . . . . . . 6241 1 1511 . 1 1 120 120 TRP CZ2 C 13 115.612 0.080 . 1 . . . . . . . . 6241 1 1512 . 1 1 120 120 TRP HZ2 H 1 7.199 0.020 . 1 . . . . . . . . 6241 1 1513 . 1 1 120 120 TRP CZ3 C 13 120.760 0.080 . 1 . . . . . . . . 6241 1 1514 . 1 1 120 120 TRP HZ3 H 1 6.577 0.004 . 1 . . . . . . . . 6241 1 1515 . 1 1 120 120 TRP CH2 C 13 123.927 0.080 . 1 . . . . . . . . 6241 1 1516 . 1 1 120 120 TRP HH2 H 1 6.707 0.001 . 1 . . . . . . . . 6241 1 1517 . 1 1 121 121 PHE H H 1 9.290 0.020 . 1 . . . . . . . . 6241 1 1518 . 1 1 121 121 PHE N N 15 116.500 0.070 . 1 . . . . . . . . 6241 1 1519 . 1 1 121 121 PHE CA C 13 57.260 0.080 . 1 . . . . . . . . 6241 1 1520 . 1 1 121 121 PHE HA H 1 4.974 0.002 . 1 . . . . . . . . 6241 1 1521 . 1 1 121 121 PHE C C 13 171.760 0.080 . 1 . . . . . . . . 6241 1 1522 . 1 1 121 121 PHE CB C 13 43.260 0.080 . 1 . . . . . . . . 6241 1 1523 . 1 1 121 121 PHE HB2 H 1 3.326 0.020 . 1 . . . . . . . . 6241 1 1524 . 1 1 121 121 PHE HB3 H 1 3.326 0.020 . 1 . . . . . . . . 6241 1 1525 . 1 1 121 121 PHE CD1 C 13 132.506 0.080 . 1 . . . . . . . . 6241 1 1526 . 1 1 121 121 PHE HD1 H 1 6.967 0.020 . 1 . . . . . . . . 6241 1 1527 . 1 1 121 121 PHE CD2 C 13 132.506 0.080 . 1 . . . . . . . . 6241 1 1528 . 1 1 121 121 PHE HD2 H 1 6.967 0.020 . 1 . . . . . . . . 6241 1 1529 . 1 1 122 122 THR H H 1 8.820 0.001 . 1 . . . . . . . . 6241 1 1530 . 1 1 122 122 THR N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 1531 . 1 1 122 122 THR CA C 13 62.010 0.080 . 1 . . . . . . . . 6241 1 1532 . 1 1 122 122 THR HA H 1 4.483 0.002 . 1 . . . . . . . . 6241 1 1533 . 1 1 122 122 THR C C 13 172.470 0.080 . 1 . . . . . . . . 6241 1 1534 . 1 1 122 122 THR CB C 13 71.340 0.080 . 1 . . . . . . . . 6241 1 1535 . 1 1 122 122 THR HB H 1 4.119 0.001 . 1 . . . . . . . . 6241 1 1536 . 1 1 122 122 THR CG2 C 13 23.294 0.080 . 1 . . . . . . . . 6241 1 1537 . 1 1 122 122 THR HG21 H 1 1.266 0.001 . 1 . . . . . . . . 6241 1 1538 . 1 1 122 122 THR HG22 H 1 1.266 0.001 . 1 . . . . . . . . 6241 1 1539 . 1 1 122 122 THR HG23 H 1 1.266 0.001 . 1 . . . . . . . . 6241 1 1540 . 1 1 123 123 VAL H H 1 8.814 0.007 . 1 . . . . . . . . 6241 1 1541 . 1 1 123 123 VAL N N 15 128.531 0.070 . 1 . . . . . . . . 6241 1 1542 . 1 1 123 123 VAL CA C 13 61.280 0.080 . 1 . . . . . . . . 6241 1 1543 . 1 1 123 123 VAL HA H 1 5.141 0.006 . 1 . . . . . . . . 6241 1 1544 . 1 1 123 123 VAL CB C 13 34.722 0.080 . 1 . . . . . . . . 6241 1 1545 . 1 1 123 123 VAL HB H 1 2.153 0.002 . 1 . . . . . . . . 6241 1 1546 . 1 1 123 123 VAL CG1 C 13 21.363 0.080 . 1 . . . . . . . . 6241 1 1547 . 1 1 123 123 VAL HG11 H 1 1.055 0.002 . 1 . . . . . . . . 6241 1 1548 . 1 1 123 123 VAL HG12 H 1 1.055 0.002 . 1 . . . . . . . . 6241 1 1549 . 1 1 123 123 VAL HG13 H 1 1.055 0.002 . 1 . . . . . . . . 6241 1 1550 . 1 1 123 123 VAL CG2 C 13 22.329 0.080 . 1 . . . . . . . . 6241 1 1551 . 1 1 123 123 VAL HG21 H 1 1.048 0.003 . 1 . . . . . . . . 6241 1 1552 . 1 1 123 123 VAL HG22 H 1 1.048 0.003 . 1 . . . . . . . . 6241 1 1553 . 1 1 123 123 VAL HG23 H 1 1.048 0.003 . 1 . . . . . . . . 6241 1 1554 . 1 1 124 124 ARG H H 1 9.435 0.020 . 1 . . . . . . . . 6241 1 1555 . 1 1 124 124 ARG N N 15 124.781 0.070 . 1 . . . . . . . . 6241 1 1556 . 1 1 124 124 ARG CA C 13 55.110 0.080 . 1 . . . . . . . . 6241 1 1557 . 1 1 124 124 ARG HA H 1 5.416 0.003 . 1 . . . . . . . . 6241 1 1558 . 1 1 124 124 ARG C C 13 172.510 0.080 . 1 . . . . . . . . 6241 1 1559 . 1 1 124 124 ARG CB C 13 34.078 0.080 . 1 . . . . . . . . 6241 1 1560 . 1 1 124 124 ARG HB2 H 1 1.940 0.020 . 1 . . . . . . . . 6241 1 1561 . 1 1 124 124 ARG HB3 H 1 1.805 0.004 . 1 . . . . . . . . 6241 1 1562 . 1 1 124 124 ARG HG2 H 1 1.612 0.020 . 1 . . . . . . . . 6241 1 1563 . 1 1 124 124 ARG HG3 H 1 1.612 0.020 . 1 . . . . . . . . 6241 1 1564 . 1 1 124 124 ARG HD2 H 1 3.234 0.020 . 1 . . . . . . . . 6241 1 1565 . 1 1 124 124 ARG HD3 H 1 3.234 0.020 . 1 . . . . . . . . 6241 1 1566 . 1 1 124 124 ARG NE N 15 84.156 0.070 . 1 . . . . . . . . 6241 1 1567 . 1 1 124 124 ARG HE H 1 7.550 0.001 . 1 . . . . . . . . 6241 1 1568 . 1 1 125 125 LYS H H 1 8.076 0.020 . 1 . . . . . . . . 6241 1 1569 . 1 1 125 125 LYS N N 15 128.062 0.070 . 1 . . . . . . . . 6241 1 1570 . 1 1 125 125 LYS CA C 13 55.210 0.080 . 1 . . . . . . . . 6241 1 1571 . 1 1 125 125 LYS HA H 1 4.335 0.002 . 1 . . . . . . . . 6241 1 1572 . 1 1 125 125 LYS C C 13 176.910 0.080 . 1 . . . . . . . . 6241 1 1573 . 1 1 125 125 LYS CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 1574 . 1 1 125 125 LYS HB2 H 1 1.125 0.001 . 1 . . . . . . . . 6241 1 1575 . 1 1 125 125 LYS HB3 H 1 -0.584 0.006 . 1 . . . . . . . . 6241 1 1576 . 1 1 125 125 LYS CG C 13 24.420 0.080 . 1 . . . . . . . . 6241 1 1577 . 1 1 125 125 LYS HG2 H 1 0.610 0.020 . 1 . . . . . . . . 6241 1 1578 . 1 1 125 125 LYS HG3 H 1 -0.184 0.020 . 1 . . . . . . . . 6241 1 1579 . 1 1 125 125 LYS CD C 13 29.732 0.080 . 1 . . . . . . . . 6241 1 1580 . 1 1 125 125 LYS HD2 H 1 1.410 0.001 . 1 . . . . . . . . 6241 1 1581 . 1 1 125 125 LYS HD3 H 1 1.342 0.001 . 1 . . . . . . . . 6241 1 1582 . 1 1 125 125 LYS CE C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 1583 . 1 1 125 125 LYS HE2 H 1 2.821 0.001 . 1 . . . . . . . . 6241 1 1584 . 1 1 125 125 LYS HE3 H 1 2.746 0.005 . 1 . . . . . . . . 6241 1 1585 . 1 1 126 126 LEU H H 1 9.386 0.002 . 1 . . . . . . . . 6241 1 1586 . 1 1 126 126 LEU N N 15 132.750 0.070 . 1 . . . . . . . . 6241 1 1587 . 1 1 126 126 LEU CA C 13 53.940 0.080 . 1 . . . . . . . . 6241 1 1588 . 1 1 126 126 LEU HA H 1 4.650 0.006 . 1 . . . . . . . . 6241 1 1589 . 1 1 126 126 LEU C C 13 176.010 0.080 . 1 . . . . . . . . 6241 1 1590 . 1 1 126 126 LEU CB C 13 43.413 0.080 . 1 . . . . . . . . 6241 1 1591 . 1 1 126 126 LEU HB2 H 1 1.893 0.004 . 1 . . . . . . . . 6241 1 1592 . 1 1 126 126 LEU HB3 H 1 1.075 0.003 . 1 . . . . . . . . 6241 1 1593 . 1 1 126 126 LEU CG C 13 26.835 0.080 . 1 . . . . . . . . 6241 1 1594 . 1 1 126 126 LEU CD1 C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 1595 . 1 1 126 126 LEU HD11 H 1 0.811 0.002 . 1 . . . . . . . . 6241 1 1596 . 1 1 126 126 LEU HD12 H 1 0.811 0.002 . 1 . . . . . . . . 6241 1 1597 . 1 1 126 126 LEU HD13 H 1 0.811 0.002 . 1 . . . . . . . . 6241 1 1598 . 1 1 126 126 LEU CD2 C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 1599 . 1 1 126 126 LEU HD21 H 1 0.811 0.020 . 1 . . . . . . . . 6241 1 1600 . 1 1 126 126 LEU HD22 H 1 0.811 0.020 . 1 . . . . . . . . 6241 1 1601 . 1 1 126 126 LEU HD23 H 1 0.811 0.020 . 1 . . . . . . . . 6241 1 1602 . 1 1 126 126 LEU HG H 1 1.403 0.004 . 1 . . . . . . . . 6241 1 1603 . 1 1 127 127 GLY H H 1 9.536 0.020 . 1 . . . . . . . . 6241 1 1604 . 1 1 127 127 GLY N N 15 114.312 0.070 . 1 . . . . . . . . 6241 1 1605 . 1 1 127 127 GLY CA C 13 47.276 0.080 . 1 . . . . . . . . 6241 1 1606 . 1 1 127 127 GLY HA2 H 1 3.926 0.003 . 1 . . . . . . . . 6241 1 1607 . 1 1 127 127 GLY HA3 H 1 3.606 0.001 . 1 . . . . . . . . 6241 1 1608 . 1 1 127 127 GLY C C 13 174.550 0.080 . 1 . . . . . . . . 6241 1 1609 . 1 1 128 128 LYS H H 1 8.780 0.001 . 1 . . . . . . . . 6241 1 1610 . 1 1 128 128 LYS N N 15 124.625 0.070 . 1 . . . . . . . . 6241 1 1611 . 1 1 128 128 LYS CA C 13 55.950 0.080 . 1 . . . . . . . . 6241 1 1612 . 1 1 128 128 LYS HA H 1 4.333 0.001 . 1 . . . . . . . . 6241 1 1613 . 1 1 128 128 LYS C C 13 175.910 0.080 . 1 . . . . . . . . 6241 1 1614 . 1 1 128 128 LYS CB C 13 33.112 0.080 . 1 . . . . . . . . 6241 1 1615 . 1 1 128 128 LYS HB2 H 1 2.102 0.001 . 1 . . . . . . . . 6241 1 1616 . 1 1 128 128 LYS HB3 H 1 1.779 0.002 . 1 . . . . . . . . 6241 1 1617 . 1 1 128 128 LYS CG C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 1618 . 1 1 128 128 LYS HG2 H 1 1.463 0.020 . 1 . . . . . . . . 6241 1 1619 . 1 1 128 128 LYS HG3 H 1 1.463 0.020 . 1 . . . . . . . . 6241 1 1620 . 1 1 128 128 LYS CD C 13 28.928 0.080 . 1 . . . . . . . . 6241 1 1621 . 1 1 128 128 LYS HD2 H 1 1.725 0.020 . 1 . . . . . . . . 6241 1 1622 . 1 1 128 128 LYS HD3 H 1 1.725 0.020 . 1 . . . . . . . . 6241 1 1623 . 1 1 128 128 LYS CE C 13 41.965 0.080 . 1 . . . . . . . . 6241 1 1624 . 1 1 128 128 LYS HE2 H 1 3.041 0.020 . 1 . . . . . . . . 6241 1 1625 . 1 1 128 128 LYS HE3 H 1 3.041 0.020 . 1 . . . . . . . . 6241 1 1626 . 1 1 128 128 LYS NZ N 15 43.687 0.070 . 1 . . . . . . . . 6241 1 1627 . 1 1 128 128 LYS HZ1 H 1 7.985 0.020 . 1 . . . . . . . . 6241 1 1628 . 1 1 128 128 LYS HZ2 H 1 7.985 0.020 . 1 . . . . . . . . 6241 1 1629 . 1 1 128 128 LYS HZ3 H 1 7.985 0.020 . 1 . . . . . . . . 6241 1 1630 . 1 1 129 129 GLN H H 1 7.853 0.004 . 1 . . . . . . . . 6241 1 1631 . 1 1 129 129 GLN N N 15 119.781 0.070 . 1 . . . . . . . . 6241 1 1632 . 1 1 129 129 GLN CA C 13 54.840 0.080 . 1 . . . . . . . . 6241 1 1633 . 1 1 129 129 GLN HA H 1 4.681 0.003 . 1 . . . . . . . . 6241 1 1634 . 1 1 129 129 GLN C C 13 173.030 0.080 . 1 . . . . . . . . 6241 1 1635 . 1 1 129 129 GLN CB C 13 33.434 0.080 . 1 . . . . . . . . 6241 1 1636 . 1 1 129 129 GLN HB2 H 1 2.084 0.001 . 1 . . . . . . . . 6241 1 1637 . 1 1 129 129 GLN HB3 H 1 1.796 0.001 . 1 . . . . . . . . 6241 1 1638 . 1 1 129 129 GLN CG C 13 35.205 0.080 . 1 . . . . . . . . 6241 1 1639 . 1 1 129 129 GLN HG2 H 1 2.182 0.020 . 1 . . . . . . . . 6241 1 1640 . 1 1 129 129 GLN HG3 H 1 2.060 0.020 . 1 . . . . . . . . 6241 1 1641 . 1 1 129 129 GLN NE2 N 15 112.749 0.070 . 1 . . . . . . . . 6241 1 1642 . 1 1 129 129 GLN HE21 H 1 7.659 0.001 . 1 . . . . . . . . 6241 1 1643 . 1 1 129 129 GLN HE22 H 1 6.798 0.020 . 1 . . . . . . . . 6241 1 1644 . 1 1 130 130 TRP H H 1 8.853 0.020 . 1 . . . . . . . . 6241 1 1645 . 1 1 130 130 TRP N N 15 123.062 0.070 . 1 . . . . . . . . 6241 1 1646 . 1 1 130 130 TRP CA C 13 58.300 0.080 . 1 . . . . . . . . 6241 1 1647 . 1 1 130 130 TRP HA H 1 4.436 0.003 . 1 . . . . . . . . 6241 1 1648 . 1 1 130 130 TRP C C 13 175.300 0.080 . 1 . . . . . . . . 6241 1 1649 . 1 1 130 130 TRP CB C 13 30.537 0.080 . 1 . . . . . . . . 6241 1 1650 . 1 1 130 130 TRP HB2 H 1 3.470 0.020 . 1 . . . . . . . . 6241 1 1651 . 1 1 130 130 TRP HB3 H 1 2.667 0.001 . 1 . . . . . . . . 6241 1 1652 . 1 1 130 130 TRP CD1 C 13 126.171 0.080 . 1 . . . . . . . . 6241 1 1653 . 1 1 130 130 TRP HD1 H 1 7.568 0.020 . 1 . . . . . . . . 6241 1 1654 . 1 1 130 130 TRP NE1 N 15 126.968 0.070 . 1 . . . . . . . . 6241 1 1655 . 1 1 130 130 TRP HE1 H 1 9.557 0.001 . 1 . . . . . . . . 6241 1 1656 . 1 1 130 130 TRP CE3 C 13 118.384 0.080 . 1 . . . . . . . . 6241 1 1657 . 1 1 130 130 TRP HE3 H 1 7.123 0.001 . 1 . . . . . . . . 6241 1 1658 . 1 1 130 130 TRP CZ2 C 13 117.592 0.080 . 1 . . . . . . . . 6241 1 1659 . 1 1 130 130 TRP HZ2 H 1 7.490 0.001 . 1 . . . . . . . . 6241 1 1660 . 1 1 130 130 TRP CZ3 C 13 121.551 0.080 . 1 . . . . . . . . 6241 1 1661 . 1 1 130 130 TRP HZ3 H 1 6.951 0.020 . 1 . . . . . . . . 6241 1 1662 . 1 1 130 130 TRP CH2 C 13 124.323 0.080 . 1 . . . . . . . . 6241 1 1663 . 1 1 130 130 TRP HH2 H 1 6.541 0.001 . 1 . . . . . . . . 6241 1 1664 . 1 1 131 131 PHE H H 1 8.999 0.003 . 1 . . . . . . . . 6241 1 1665 . 1 1 131 131 PHE N N 15 116.812 0.070 . 1 . . . . . . . . 6241 1 1666 . 1 1 131 131 PHE CA C 13 57.150 0.080 . 1 . . . . . . . . 6241 1 1667 . 1 1 131 131 PHE HA H 1 5.205 0.001 . 1 . . . . . . . . 6241 1 1668 . 1 1 131 131 PHE C C 13 174.870 0.080 . 1 . . . . . . . . 6241 1 1669 . 1 1 131 131 PHE CB C 13 43.091 0.080 . 1 . . . . . . . . 6241 1 1670 . 1 1 131 131 PHE HB2 H 1 2.795 0.003 . 1 . . . . . . . . 6241 1 1671 . 1 1 131 131 PHE HB3 H 1 2.593 0.020 . 1 . . . . . . . . 6241 1 1672 . 1 1 131 131 PHE CD1 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 1673 . 1 1 131 131 PHE HD1 H 1 6.932 0.020 . 1 . . . . . . . . 6241 1 1674 . 1 1 131 131 PHE CD2 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 1675 . 1 1 131 131 PHE HD2 H 1 6.932 0.020 . 1 . . . . . . . . 6241 1 1676 . 1 1 131 131 PHE CE1 C 13 131.582 0.080 . 1 . . . . . . . . 6241 1 1677 . 1 1 131 131 PHE HE1 H 1 7.244 0.020 . 1 . . . . . . . . 6241 1 1678 . 1 1 131 131 PHE HE2 H 1 7.244 0.020 . 1 . . . . . . . . 6241 1 1679 . 1 1 131 131 PHE CZ C 13 130.000 0.000 . 1 . . . . . . . . 6241 1 1680 . 1 1 131 131 PHE HZ H 1 7.125 0.000 . 1 . . . . . . . . 6241 1 1681 . 1 1 132 132 ASN H H 1 9.752 0.020 . 1 . . . . . . . . 6241 1 1682 . 1 1 132 132 ASN N N 15 120.562 0.070 . 1 . . . . . . . . 6241 1 1683 . 1 1 132 132 ASN CA C 13 53.040 0.080 . 1 . . . . . . . . 6241 1 1684 . 1 1 132 132 ASN HA H 1 4.897 0.001 . 1 . . . . . . . . 6241 1 1685 . 1 1 132 132 ASN C C 13 175.550 0.080 . 1 . . . . . . . . 6241 1 1686 . 1 1 132 132 ASN CB C 13 38.585 0.080 . 1 . . . . . . . . 6241 1 1687 . 1 1 132 132 ASN HB2 H 1 3.245 0.004 . 1 . . . . . . . . 6241 1 1688 . 1 1 132 132 ASN HB3 H 1 2.617 0.003 . 1 . . . . . . . . 6241 1 1689 . 1 1 132 132 ASN ND2 N 15 109.312 0.070 . 1 . . . . . . . . 6241 1 1690 . 1 1 132 132 ASN HD21 H 1 7.820 0.002 . 1 . . . . . . . . 6241 1 1691 . 1 1 132 132 ASN HD22 H 1 7.458 0.020 . 1 . . . . . . . . 6241 1 1692 . 1 1 133 133 LEU H H 1 8.680 0.005 . 1 . . . . . . . . 6241 1 1693 . 1 1 133 133 LEU N N 15 122.593 0.070 . 1 . . . . . . . . 6241 1 1694 . 1 1 133 133 LEU CA C 13 52.510 0.080 . 1 . . . . . . . . 6241 1 1695 . 1 1 133 133 LEU HA H 1 4.758 0.020 . 1 . . . . . . . . 6241 1 1696 . 1 1 133 133 LEU C C 13 178.880 0.080 . 1 . . . . . . . . 6241 1 1697 . 1 1 133 133 LEU CB C 13 41.482 0.080 . 1 . . . . . . . . 6241 1 1698 . 1 1 133 133 LEU HB2 H 1 1.979 0.020 . 1 . . . . . . . . 6241 1 1699 . 1 1 133 133 LEU HB3 H 1 1.979 0.020 . 1 . . . . . . . . 6241 1 1700 . 1 1 133 133 LEU CG C 13 26.835 0.080 . 1 . . . . . . . . 6241 1 1701 . 1 1 133 133 LEU CD1 C 13 28.445 0.080 . 1 . . . . . . . . 6241 1 1702 . 1 1 133 133 LEU HD11 H 1 1.012 0.001 . 1 . . . . . . . . 6241 1 1703 . 1 1 133 133 LEU HD12 H 1 1.012 0.001 . 1 . . . . . . . . 6241 1 1704 . 1 1 133 133 LEU HD13 H 1 1.012 0.001 . 1 . . . . . . . . 6241 1 1705 . 1 1 133 133 LEU CD2 C 13 23.616 0.080 . 1 . . . . . . . . 6241 1 1706 . 1 1 133 133 LEU HD21 H 1 0.796 0.001 . 1 . . . . . . . . 6241 1 1707 . 1 1 133 133 LEU HD22 H 1 0.796 0.001 . 1 . . . . . . . . 6241 1 1708 . 1 1 133 133 LEU HD23 H 1 0.796 0.001 . 1 . . . . . . . . 6241 1 1709 . 1 1 133 133 LEU HG H 1 1.772 0.002 . 1 . . . . . . . . 6241 1 1710 . 1 1 134 134 ASN H H 1 8.841 0.020 . 1 . . . . . . . . 6241 1 1711 . 1 1 134 134 ASN N N 15 121.968 0.070 . 1 . . . . . . . . 6241 1 1712 . 1 1 134 134 ASN CA C 13 55.580 0.080 . 1 . . . . . . . . 6241 1 1713 . 1 1 134 134 ASN HA H 1 4.760 0.020 . 1 . . . . . . . . 6241 1 1714 . 1 1 134 134 ASN C C 13 178.290 0.080 . 1 . . . . . . . . 6241 1 1715 . 1 1 134 134 ASN CB C 13 37.136 0.080 . 1 . . . . . . . . 6241 1 1716 . 1 1 134 134 ASN HB2 H 1 3.230 0.003 . 1 . . . . . . . . 6241 1 1717 . 1 1 134 134 ASN HB3 H 1 2.706 0.002 . 1 . . . . . . . . 6241 1 1718 . 1 1 134 134 ASN ND2 N 15 112.906 0.070 . 1 . . . . . . . . 6241 1 1719 . 1 1 134 134 ASN HD21 H 1 7.732 0.004 . 1 . . . . . . . . 6241 1 1720 . 1 1 134 134 ASN HD22 H 1 6.889 0.001 . 1 . . . . . . . . 6241 1 1721 . 1 1 135 135 SER H H 1 8.416 0.020 . 1 . . . . . . . . 6241 1 1722 . 1 1 135 135 SER N N 15 124.625 0.070 . 1 . . . . . . . . 6241 1 1723 . 1 1 135 135 SER CA C 13 60.250 0.080 . 1 . . . . . . . . 6241 1 1724 . 1 1 135 135 SER HA H 1 4.769 0.020 . 1 . . . . . . . . 6241 1 1725 . 1 1 135 135 SER C C 13 174.750 0.080 . 1 . . . . . . . . 6241 1 1726 . 1 1 135 135 SER CB C 13 63.100 0.080 . 1 . . . . . . . . 6241 1 1727 . 1 1 135 135 SER HB2 H 1 4.421 0.020 . 1 . . . . . . . . 6241 1 1728 . 1 1 135 135 SER HB3 H 1 4.421 0.020 . 1 . . . . . . . . 6241 1 1729 . 1 1 136 136 LEU H H 1 7.703 0.002 . 1 . . . . . . . . 6241 1 1730 . 1 1 136 136 LEU N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 1731 . 1 1 136 136 LEU CA C 13 55.260 0.080 . 1 . . . . . . . . 6241 1 1732 . 1 1 136 136 LEU HA H 1 4.453 0.001 . 1 . . . . . . . . 6241 1 1733 . 1 1 136 136 LEU C C 13 177.510 0.080 . 1 . . . . . . . . 6241 1 1734 . 1 1 136 136 LEU CB C 13 42.448 0.080 . 1 . . . . . . . . 6241 1 1735 . 1 1 136 136 LEU HB2 H 1 1.598 0.002 . 1 . . . . . . . . 6241 1 1736 . 1 1 136 136 LEU HB3 H 1 1.369 0.002 . 1 . . . . . . . . 6241 1 1737 . 1 1 136 136 LEU CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1738 . 1 1 136 136 LEU CD1 C 13 22.972 0.080 . 1 . . . . . . . . 6241 1 1739 . 1 1 136 136 LEU HD11 H 1 0.806 0.001 . 1 . . . . . . . . 6241 1 1740 . 1 1 136 136 LEU HD12 H 1 0.806 0.001 . 1 . . . . . . . . 6241 1 1741 . 1 1 136 136 LEU HD13 H 1 0.806 0.001 . 1 . . . . . . . . 6241 1 1742 . 1 1 136 136 LEU CD2 C 13 24.904 0.080 . 1 . . . . . . . . 6241 1 1743 . 1 1 136 136 LEU HD21 H 1 0.581 0.004 . 1 . . . . . . . . 6241 1 1744 . 1 1 136 136 LEU HD22 H 1 0.581 0.004 . 1 . . . . . . . . 6241 1 1745 . 1 1 136 136 LEU HD23 H 1 0.581 0.004 . 1 . . . . . . . . 6241 1 1746 . 1 1 136 136 LEU HG H 1 1.597 0.002 . 1 . . . . . . . . 6241 1 1747 . 1 1 137 137 LEU H H 1 7.135 0.005 . 1 . . . . . . . . 6241 1 1748 . 1 1 137 137 LEU N N 15 118.218 0.070 . 1 . . . . . . . . 6241 1 1749 . 1 1 137 137 LEU CA C 13 53.580 0.080 . 1 . . . . . . . . 6241 1 1750 . 1 1 137 137 LEU HA H 1 4.552 0.003 . 1 . . . . . . . . 6241 1 1751 . 1 1 137 137 LEU C C 13 177.680 0.080 . 1 . . . . . . . . 6241 1 1752 . 1 1 137 137 LEU CB C 13 43.735 0.080 . 1 . . . . . . . . 6241 1 1753 . 1 1 137 137 LEU HB2 H 1 1.846 0.020 . 1 . . . . . . . . 6241 1 1754 . 1 1 137 137 LEU HB3 H 1 1.846 0.020 . 1 . . . . . . . . 6241 1 1755 . 1 1 137 137 LEU CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 1756 . 1 1 137 137 LEU CD1 C 13 25.060 0.080 . 1 . . . . . . . . 6241 1 1757 . 1 1 137 137 LEU HD11 H 1 0.902 0.020 . 1 . . . . . . . . 6241 1 1758 . 1 1 137 137 LEU HD12 H 1 0.902 0.020 . 1 . . . . . . . . 6241 1 1759 . 1 1 137 137 LEU HD13 H 1 0.902 0.020 . 1 . . . . . . . . 6241 1 1760 . 1 1 137 137 LEU CD2 C 13 21.524 0.080 . 1 . . . . . . . . 6241 1 1761 . 1 1 137 137 LEU HD21 H 1 0.852 0.020 . 1 . . . . . . . . 6241 1 1762 . 1 1 137 137 LEU HD22 H 1 0.852 0.020 . 1 . . . . . . . . 6241 1 1763 . 1 1 137 137 LEU HD23 H 1 0.852 0.020 . 1 . . . . . . . . 6241 1 1764 . 1 1 137 137 LEU HG H 1 1.448 0.008 . 1 . . . . . . . . 6241 1 1765 . 1 1 138 138 THR H H 1 8.563 0.020 . 1 . . . . . . . . 6241 1 1766 . 1 1 138 138 THR N N 15 110.406 0.070 . 1 . . . . . . . . 6241 1 1767 . 1 1 138 138 THR CA C 13 63.710 0.080 . 1 . . . . . . . . 6241 1 1768 . 1 1 138 138 THR HA H 1 4.047 0.001 . 1 . . . . . . . . 6241 1 1769 . 1 1 138 138 THR C C 13 174.820 0.080 . 1 . . . . . . . . 6241 1 1770 . 1 1 138 138 THR CB C 13 69.000 0.080 . 1 . . . . . . . . 6241 1 1771 . 1 1 138 138 THR HB H 1 4.325 0.002 . 1 . . . . . . . . 6241 1 1772 . 1 1 138 138 THR CG2 C 13 22.007 0.080 . 1 . . . . . . . . 6241 1 1773 . 1 1 138 138 THR HG21 H 1 1.289 0.004 . 1 . . . . . . . . 6241 1 1774 . 1 1 138 138 THR HG22 H 1 1.289 0.004 . 1 . . . . . . . . 6241 1 1775 . 1 1 138 138 THR HG23 H 1 1.289 0.004 . 1 . . . . . . . . 6241 1 1776 . 1 1 139 139 GLY H H 1 7.322 0.020 . 1 . . . . . . . . 6241 1 1777 . 1 1 139 139 GLY N N 15 107.749 0.070 . 1 . . . . . . . . 6241 1 1778 . 1 1 139 139 GLY CA C 13 44.379 0.080 . 1 . . . . . . . . 6241 1 1779 . 1 1 139 139 GLY HA2 H 1 4.008 0.001 . 1 . . . . . . . . 6241 1 1780 . 1 1 139 139 GLY HA3 H 1 3.776 0.020 . 1 . . . . . . . . 6241 1 1781 . 1 1 140 140 PRO CA C 13 62.560 0.080 . 1 . . . . . . . . 6241 1 1782 . 1 1 140 140 PRO HA H 1 4.132 0.020 . 1 . . . . . . . . 6241 1 1783 . 1 1 140 140 PRO C C 13 176.100 0.080 . 1 . . . . . . . . 6241 1 1784 . 1 1 140 140 PRO CB C 13 32.951 0.080 . 1 . . . . . . . . 6241 1 1785 . 1 1 140 140 PRO HB2 H 1 1.729 0.002 . 1 . . . . . . . . 6241 1 1786 . 1 1 140 140 PRO HB3 H 1 1.652 0.001 . 1 . . . . . . . . 6241 1 1787 . 1 1 140 140 PRO CG C 13 27.640 0.080 . 1 . . . . . . . . 6241 1 1788 . 1 1 140 140 PRO HG2 H 1 1.833 0.001 . 1 . . . . . . . . 6241 1 1789 . 1 1 140 140 PRO HG3 H 1 1.351 0.020 . 1 . . . . . . . . 6241 1 1790 . 1 1 140 140 PRO CD C 13 49.000 0.080 . 1 . . . . . . . . 6241 1 1791 . 1 1 140 140 PRO HD2 H 1 3.292 0.001 . 1 . . . . . . . . 6241 1 1792 . 1 1 140 140 PRO HD3 H 1 3.245 0.020 . 1 . . . . . . . . 6241 1 1793 . 1 1 141 141 GLU H H 1 8.125 0.002 . 1 . . . . . . . . 6241 1 1794 . 1 1 141 141 GLU N N 15 121.656 0.070 . 1 . . . . . . . . 6241 1 1795 . 1 1 141 141 GLU CA C 13 54.610 0.080 . 1 . . . . . . . . 6241 1 1796 . 1 1 141 141 GLU HA H 1 4.848 0.002 . 1 . . . . . . . . 6241 1 1797 . 1 1 141 141 GLU C C 13 175.000 0.080 . 1 . . . . . . . . 6241 1 1798 . 1 1 141 141 GLU CB C 13 33.273 0.080 . 1 . . . . . . . . 6241 1 1799 . 1 1 141 141 GLU HB2 H 1 2.030 0.001 . 1 . . . . . . . . 6241 1 1800 . 1 1 141 141 GLU HB3 H 1 1.908 0.020 . 1 . . . . . . . . 6241 1 1801 . 1 1 141 141 GLU CG C 13 36.492 0.080 . 1 . . . . . . . . 6241 1 1802 . 1 1 141 141 GLU HG2 H 1 2.386 0.001 . 1 . . . . . . . . 6241 1 1803 . 1 1 141 141 GLU HG3 H 1 2.150 0.001 . 1 . . . . . . . . 6241 1 1804 . 1 1 142 142 LEU H H 1 8.659 0.001 . 1 . . . . . . . . 6241 1 1805 . 1 1 142 142 LEU N N 15 129.000 0.070 . 1 . . . . . . . . 6241 1 1806 . 1 1 142 142 LEU CA C 13 55.940 0.080 . 1 . . . . . . . . 6241 1 1807 . 1 1 142 142 LEU HA H 1 3.980 0.002 . 1 . . . . . . . . 6241 1 1808 . 1 1 142 142 LEU C C 13 176.560 0.080 . 1 . . . . . . . . 6241 1 1809 . 1 1 142 142 LEU CB C 13 42.770 0.080 . 1 . . . . . . . . 6241 1 1810 . 1 1 142 142 LEU HB2 H 1 1.506 0.002 . 1 . . . . . . . . 6241 1 1811 . 1 1 142 142 LEU HB3 H 1 1.374 0.001 . 1 . . . . . . . . 6241 1 1812 . 1 1 142 142 LEU CG C 13 27.479 0.080 . 1 . . . . . . . . 6241 1 1813 . 1 1 142 142 LEU CD1 C 13 25.869 0.080 . 1 . . . . . . . . 6241 1 1814 . 1 1 142 142 LEU HD11 H 1 0.700 0.020 . 1 . . . . . . . . 6241 1 1815 . 1 1 142 142 LEU HD12 H 1 0.700 0.020 . 1 . . . . . . . . 6241 1 1816 . 1 1 142 142 LEU HD13 H 1 0.700 0.020 . 1 . . . . . . . . 6241 1 1817 . 1 1 142 142 LEU CD2 C 13 24.260 0.080 . 1 . . . . . . . . 6241 1 1818 . 1 1 142 142 LEU HD21 H 1 0.641 0.001 . 1 . . . . . . . . 6241 1 1819 . 1 1 142 142 LEU HD22 H 1 0.641 0.001 . 1 . . . . . . . . 6241 1 1820 . 1 1 142 142 LEU HD23 H 1 0.641 0.001 . 1 . . . . . . . . 6241 1 1821 . 1 1 142 142 LEU HG H 1 1.204 0.001 . 1 . . . . . . . . 6241 1 1822 . 1 1 143 143 ILE H H 1 8.586 0.001 . 1 . . . . . . . . 6241 1 1823 . 1 1 143 143 ILE N N 15 128.375 0.070 . 1 . . . . . . . . 6241 1 1824 . 1 1 143 143 ILE CA C 13 59.410 0.080 . 1 . . . . . . . . 6241 1 1825 . 1 1 143 143 ILE HA H 1 4.145 0.005 . 1 . . . . . . . . 6241 1 1826 . 1 1 143 143 ILE C C 13 174.680 0.080 . 1 . . . . . . . . 6241 1 1827 . 1 1 143 143 ILE CB C 13 39.872 0.080 . 1 . . . . . . . . 6241 1 1828 . 1 1 143 143 ILE HB H 1 1.441 0.001 . 1 . . . . . . . . 6241 1 1829 . 1 1 143 143 ILE CG2 C 13 16.856 0.080 . 1 . . . . . . . . 6241 1 1830 . 1 1 143 143 ILE HG21 H 1 0.673 0.001 . 1 . . . . . . . . 6241 1 1831 . 1 1 143 143 ILE HG22 H 1 0.673 0.001 . 1 . . . . . . . . 6241 1 1832 . 1 1 143 143 ILE HG23 H 1 0.673 0.001 . 1 . . . . . . . . 6241 1 1833 . 1 1 143 143 ILE CG1 C 13 26.352 0.080 . 1 . . . . . . . . 6241 1 1834 . 1 1 143 143 ILE HG12 H 1 1.280 0.020 . 1 . . . . . . . . 6241 1 1835 . 1 1 143 143 ILE HG13 H 1 0.727 0.001 . 1 . . . . . . . . 6241 1 1836 . 1 1 143 143 ILE CD1 C 13 13.959 0.080 . 1 . . . . . . . . 6241 1 1837 . 1 1 143 143 ILE HD11 H 1 0.226 0.001 . 1 . . . . . . . . 6241 1 1838 . 1 1 143 143 ILE HD12 H 1 0.226 0.001 . 1 . . . . . . . . 6241 1 1839 . 1 1 143 143 ILE HD13 H 1 0.226 0.001 . 1 . . . . . . . . 6241 1 1840 . 1 1 144 144 SER H H 1 8.813 0.006 . 1 . . . . . . . . 6241 1 1841 . 1 1 144 144 SER N N 15 122.125 0.070 . 1 . . . . . . . . 6241 1 1842 . 1 1 144 144 SER CA C 13 58.650 0.080 . 1 . . . . . . . . 6241 1 1843 . 1 1 144 144 SER HA H 1 4.361 0.001 . 1 . . . . . . . . 6241 1 1844 . 1 1 144 144 SER C C 13 175.860 0.080 . 1 . . . . . . . . 6241 1 1845 . 1 1 144 144 SER CB C 13 63.520 0.080 . 1 . . . . . . . . 6241 1 1846 . 1 1 144 144 SER HB2 H 1 4.083 0.020 . 1 . . . . . . . . 6241 1 1847 . 1 1 144 144 SER HB3 H 1 3.883 0.020 . 1 . . . . . . . . 6241 1 1848 . 1 1 145 145 ASP H H 1 9.160 0.003 . 1 . . . . . . . . 6241 1 1849 . 1 1 145 145 ASP N N 15 126.343 0.070 . 1 . . . . . . . . 6241 1 1850 . 1 1 145 145 ASP CA C 13 58.280 0.080 . 1 . . . . . . . . 6241 1 1851 . 1 1 145 145 ASP HA H 1 4.360 0.003 . 1 . . . . . . . . 6241 1 1852 . 1 1 145 145 ASP C C 13 178.440 0.080 . 1 . . . . . . . . 6241 1 1853 . 1 1 145 145 ASP CB C 13 40.194 0.080 . 1 . . . . . . . . 6241 1 1854 . 1 1 145 145 ASP HB2 H 1 2.820 0.020 . 1 . . . . . . . . 6241 1 1855 . 1 1 145 145 ASP HB3 H 1 2.820 0.020 . 1 . . . . . . . . 6241 1 1856 . 1 1 146 146 THR H H 1 7.823 0.003 . 1 . . . . . . . . 6241 1 1857 . 1 1 146 146 THR N N 15 107.124 0.070 . 1 . . . . . . . . 6241 1 1858 . 1 1 146 146 THR CA C 13 63.160 0.080 . 1 . . . . . . . . 6241 1 1859 . 1 1 146 146 THR HA H 1 4.153 0.003 . 1 . . . . . . . . 6241 1 1860 . 1 1 146 146 THR C C 13 174.800 0.080 . 1 . . . . . . . . 6241 1 1861 . 1 1 146 146 THR CB C 13 68.970 0.080 . 1 . . . . . . . . 6241 1 1862 . 1 1 146 146 THR HB H 1 4.325 0.002 . 1 . . . . . . . . 6241 1 1863 . 1 1 146 146 THR CG2 C 13 22.168 0.080 . 1 . . . . . . . . 6241 1 1864 . 1 1 146 146 THR HG21 H 1 1.273 0.002 . 1 . . . . . . . . 6241 1 1865 . 1 1 146 146 THR HG22 H 1 1.273 0.002 . 1 . . . . . . . . 6241 1 1866 . 1 1 146 146 THR HG23 H 1 1.273 0.002 . 1 . . . . . . . . 6241 1 1867 . 1 1 147 147 TYR H H 1 7.899 0.020 . 1 . . . . . . . . 6241 1 1868 . 1 1 147 147 TYR N N 15 122.125 0.070 . 1 . . . . . . . . 6241 1 1869 . 1 1 147 147 TYR CA C 13 56.830 0.080 . 1 . . . . . . . . 6241 1 1870 . 1 1 147 147 TYR HA H 1 4.815 0.020 . 1 . . . . . . . . 6241 1 1871 . 1 1 147 147 TYR C C 13 175.310 0.080 . 1 . . . . . . . . 6241 1 1872 . 1 1 147 147 TYR CB C 13 40.999 0.080 . 1 . . . . . . . . 6241 1 1873 . 1 1 147 147 TYR HB2 H 1 3.048 0.002 . 1 . . . . . . . . 6241 1 1874 . 1 1 147 147 TYR HB3 H 1 2.941 0.003 . 1 . . . . . . . . 6241 1 1875 . 1 1 147 147 TYR CD1 C 13 133.298 0.080 . 1 . . . . . . . . 6241 1 1876 . 1 1 147 147 TYR HD1 H 1 7.108 0.020 . 1 . . . . . . . . 6241 1 1877 . 1 1 147 147 TYR CD2 C 13 133.298 0.080 . 1 . . . . . . . . 6241 1 1878 . 1 1 147 147 TYR HD2 H 1 7.108 0.020 . 1 . . . . . . . . 6241 1 1879 . 1 1 147 147 TYR CE1 C 13 117.724 0.080 . 1 . . . . . . . . 6241 1 1880 . 1 1 147 147 TYR HE1 H 1 6.758 0.020 . 1 . . . . . . . . 6241 1 1881 . 1 1 147 147 TYR CE2 C 13 117.724 0.080 . 1 . . . . . . . . 6241 1 1882 . 1 1 147 147 TYR HE2 H 1 6.758 0.020 . 1 . . . . . . . . 6241 1 1883 . 1 1 148 148 LEU H H 1 7.031 0.003 . 1 . . . . . . . . 6241 1 1884 . 1 1 148 148 LEU N N 15 120.406 0.070 . 1 . . . . . . . . 6241 1 1885 . 1 1 148 148 LEU CA C 13 59.270 0.080 . 1 . . . . . . . . 6241 1 1886 . 1 1 148 148 LEU HA H 1 3.506 0.001 . 1 . . . . . . . . 6241 1 1887 . 1 1 148 148 LEU C C 13 176.620 0.080 . 1 . . . . . . . . 6241 1 1888 . 1 1 148 148 LEU CB C 13 41.160 0.080 . 1 . . . . . . . . 6241 1 1889 . 1 1 148 148 LEU HB2 H 1 1.414 0.001 . 1 . . . . . . . . 6241 1 1890 . 1 1 148 148 LEU HB3 H 1 0.863 0.001 . 1 . . . . . . . . 6241 1 1891 . 1 1 148 148 LEU CG C 13 26.352 0.080 . 1 . . . . . . . . 6241 1 1892 . 1 1 148 148 LEU CD1 C 13 21.685 0.080 . 1 . . . . . . . . 6241 1 1893 . 1 1 148 148 LEU HD11 H 1 0.045 0.002 . 1 . . . . . . . . 6241 1 1894 . 1 1 148 148 LEU HD12 H 1 0.045 0.002 . 1 . . . . . . . . 6241 1 1895 . 1 1 148 148 LEU HD13 H 1 0.045 0.002 . 1 . . . . . . . . 6241 1 1896 . 1 1 148 148 LEU CD2 C 13 23.938 0.080 . 1 . . . . . . . . 6241 1 1897 . 1 1 148 148 LEU HD21 H 1 -0.653 0.001 . 1 . . . . . . . . 6241 1 1898 . 1 1 148 148 LEU HD22 H 1 -0.653 0.001 . 1 . . . . . . . . 6241 1 1899 . 1 1 148 148 LEU HD23 H 1 -0.653 0.001 . 1 . . . . . . . . 6241 1 1900 . 1 1 148 148 LEU HG H 1 0.670 0.001 . 1 . . . . . . . . 6241 1 1901 . 1 1 149 149 ALA H H 1 8.867 0.001 . 1 . . . . . . . . 6241 1 1902 . 1 1 149 149 ALA N N 15 117.593 0.070 . 1 . . . . . . . . 6241 1 1903 . 1 1 149 149 ALA CA C 13 55.650 0.080 . 1 . . . . . . . . 6241 1 1904 . 1 1 149 149 ALA HA H 1 3.669 0.002 . 1 . . . . . . . . 6241 1 1905 . 1 1 149 149 ALA C C 13 180.330 0.080 . 1 . . . . . . . . 6241 1 1906 . 1 1 149 149 ALA CB C 13 17.500 0.080 . 1 . . . . . . . . 6241 1 1907 . 1 1 149 149 ALA HB1 H 1 1.356 0.020 . 1 . . . . . . . . 6241 1 1908 . 1 1 149 149 ALA HB2 H 1 1.356 0.020 . 1 . . . . . . . . 6241 1 1909 . 1 1 149 149 ALA HB3 H 1 1.356 0.020 . 1 . . . . . . . . 6241 1 1910 . 1 1 150 150 LEU H H 1 7.335 0.002 . 1 . . . . . . . . 6241 1 1911 . 1 1 150 150 LEU N N 15 120.406 0.070 . 1 . . . . . . . . 6241 1 1912 . 1 1 150 150 LEU CA C 13 57.380 0.080 . 1 . . . . . . . . 6241 1 1913 . 1 1 150 150 LEU HA H 1 4.008 0.001 . 1 . . . . . . . . 6241 1 1914 . 1 1 150 150 LEU C C 13 178.490 0.080 . 1 . . . . . . . . 6241 1 1915 . 1 1 150 150 LEU CB C 13 41.321 0.080 . 1 . . . . . . . . 6241 1 1916 . 1 1 150 150 LEU HB2 H 1 1.579 0.002 . 1 . . . . . . . . 6241 1 1917 . 1 1 150 150 LEU HB3 H 1 1.510 0.001 . 1 . . . . . . . . 6241 1 1918 . 1 1 150 150 LEU CG C 13 27.157 0.080 . 1 . . . . . . . . 6241 1 1919 . 1 1 150 150 LEU CD1 C 13 24.582 0.080 . 1 . . . . . . . . 6241 1 1920 . 1 1 150 150 LEU HD11 H 1 1.002 0.001 . 1 . . . . . . . . 6241 1 1921 . 1 1 150 150 LEU HD12 H 1 1.002 0.001 . 1 . . . . . . . . 6241 1 1922 . 1 1 150 150 LEU HD13 H 1 1.002 0.001 . 1 . . . . . . . . 6241 1 1923 . 1 1 150 150 LEU CD2 C 13 23.938 0.080 . 1 . . . . . . . . 6241 1 1924 . 1 1 150 150 LEU HD21 H 1 0.917 0.020 . 1 . . . . . . . . 6241 1 1925 . 1 1 150 150 LEU HD22 H 1 0.917 0.020 . 1 . . . . . . . . 6241 1 1926 . 1 1 150 150 LEU HD23 H 1 0.917 0.020 . 1 . . . . . . . . 6241 1 1927 . 1 1 150 150 LEU HG H 1 1.645 0.001 . 1 . . . . . . . . 6241 1 1928 . 1 1 151 151 PHE H H 1 8.341 0.004 . 1 . . . . . . . . 6241 1 1929 . 1 1 151 151 PHE N N 15 122.750 0.070 . 1 . . . . . . . . 6241 1 1930 . 1 1 151 151 PHE CA C 13 60.170 0.080 . 1 . . . . . . . . 6241 1 1931 . 1 1 151 151 PHE HA H 1 3.956 0.002 . 1 . . . . . . . . 6241 1 1932 . 1 1 151 151 PHE C C 13 177.460 0.080 . 1 . . . . . . . . 6241 1 1933 . 1 1 151 151 PHE CB C 13 38.424 0.080 . 1 . . . . . . . . 6241 1 1934 . 1 1 151 151 PHE HB2 H 1 2.910 0.002 . 1 . . . . . . . . 6241 1 1935 . 1 1 151 151 PHE HB3 H 1 2.402 0.001 . 1 . . . . . . . . 6241 1 1936 . 1 1 151 151 PHE CD1 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1937 . 1 1 151 151 PHE HD1 H 1 6.980 0.020 . 1 . . . . . . . . 6241 1 1938 . 1 1 151 151 PHE CD2 C 13 131.450 0.080 . 1 . . . . . . . . 6241 1 1939 . 1 1 151 151 PHE HD2 H 1 6.980 0.020 . 1 . . . . . . . . 6241 1 1940 . 1 1 151 151 PHE CE1 C 13 131.186 0.080 . 1 . . . . . . . . 6241 1 1941 . 1 1 151 151 PHE HE1 H 1 7.188 0.020 . 1 . . . . . . . . 6241 1 1942 . 1 1 151 151 PHE CE2 C 13 131.186 0.080 . 1 . . . . . . . . 6241 1 1943 . 1 1 151 151 PHE HE2 H 1 7.188 0.020 . 1 . . . . . . . . 6241 1 1944 . 1 1 151 151 PHE CZ C 13 129.470 0.000 . 1 . . . . . . . . 6241 1 1945 . 1 1 151 151 PHE HZ H 1 7.242 0.000 . 1 . . . . . . . . 6241 1 1946 . 1 1 152 152 LEU H H 1 7.929 0.001 . 1 . . . . . . . . 6241 1 1947 . 1 1 152 152 LEU N N 15 116.812 0.070 . 1 . . . . . . . . 6241 1 1948 . 1 1 152 152 LEU CA C 13 57.450 0.080 . 1 . . . . . . . . 6241 1 1949 . 1 1 152 152 LEU HA H 1 3.387 0.002 . 1 . . . . . . . . 6241 1 1950 . 1 1 152 152 LEU C C 13 178.870 0.080 . 1 . . . . . . . . 6241 1 1951 . 1 1 152 152 LEU CB C 13 40.838 0.080 . 1 . . . . . . . . 6241 1 1952 . 1 1 152 152 LEU HB2 H 1 1.477 0.001 . 1 . . . . . . . . 6241 1 1953 . 1 1 152 152 LEU HB3 H 1 0.590 0.001 . 1 . . . . . . . . 6241 1 1954 . 1 1 152 152 LEU CG C 13 25.709 0.080 . 1 . . . . . . . . 6241 1 1955 . 1 1 152 152 LEU CD1 C 13 20.075 0.080 . 1 . . . . . . . . 6241 1 1956 . 1 1 152 152 LEU HD11 H 1 -0.164 0.001 . 1 . . . . . . . . 6241 1 1957 . 1 1 152 152 LEU HD12 H 1 -0.164 0.001 . 1 . . . . . . . . 6241 1 1958 . 1 1 152 152 LEU HD13 H 1 -0.164 0.001 . 1 . . . . . . . . 6241 1 1959 . 1 1 152 152 LEU CD2 C 13 24.743 0.080 . 1 . . . . . . . . 6241 1 1960 . 1 1 152 152 LEU HD21 H 1 -0.550 0.002 . 1 . . . . . . . . 6241 1 1961 . 1 1 152 152 LEU HD22 H 1 -0.550 0.002 . 1 . . . . . . . . 6241 1 1962 . 1 1 152 152 LEU HD23 H 1 -0.550 0.002 . 1 . . . . . . . . 6241 1 1963 . 1 1 152 152 LEU HG H 1 1.385 0.020 . 1 . . . . . . . . 6241 1 1964 . 1 1 153 153 ALA H H 1 7.665 0.004 . 1 . . . . . . . . 6241 1 1965 . 1 1 153 153 ALA N N 15 120.718 0.070 . 1 . . . . . . . . 6241 1 1966 . 1 1 153 153 ALA CA C 13 55.100 0.080 . 1 . . . . . . . . 6241 1 1967 . 1 1 153 153 ALA HA H 1 4.093 0.002 . 1 . . . . . . . . 6241 1 1968 . 1 1 153 153 ALA C C 13 180.910 0.080 . 1 . . . . . . . . 6241 1 1969 . 1 1 153 153 ALA CB C 13 18.144 0.080 . 1 . . . . . . . . 6241 1 1970 . 1 1 153 153 ALA HB1 H 1 1.476 0.003 . 1 . . . . . . . . 6241 1 1971 . 1 1 153 153 ALA HB2 H 1 1.476 0.003 . 1 . . . . . . . . 6241 1 1972 . 1 1 153 153 ALA HB3 H 1 1.476 0.003 . 1 . . . . . . . . 6241 1 1973 . 1 1 154 154 GLN H H 1 8.353 0.003 . 1 . . . . . . . . 6241 1 1974 . 1 1 154 154 GLN N N 15 120.562 0.070 . 1 . . . . . . . . 6241 1 1975 . 1 1 154 154 GLN CA C 13 58.810 0.080 . 1 . . . . . . . . 6241 1 1976 . 1 1 154 154 GLN HA H 1 3.911 0.003 . 1 . . . . . . . . 6241 1 1977 . 1 1 154 154 GLN C C 13 178.770 0.080 . 1 . . . . . . . . 6241 1 1978 . 1 1 154 154 GLN CB C 13 27.640 0.080 . 1 . . . . . . . . 6241 1 1979 . 1 1 154 154 GLN HB2 H 1 2.176 0.002 . 1 . . . . . . . . 6241 1 1980 . 1 1 154 154 GLN HB3 H 1 2.033 0.003 . 1 . . . . . . . . 6241 1 1981 . 1 1 154 154 GLN CG C 13 33.917 0.080 . 1 . . . . . . . . 6241 1 1982 . 1 1 154 154 GLN HG2 H 1 2.445 0.001 . 1 . . . . . . . . 6241 1 1983 . 1 1 154 154 GLN HG3 H 1 2.298 0.002 . 1 . . . . . . . . 6241 1 1984 . 1 1 154 154 GLN NE2 N 15 111.343 0.070 . 1 . . . . . . . . 6241 1 1985 . 1 1 154 154 GLN HE21 H 1 7.616 0.001 . 1 . . . . . . . . 6241 1 1986 . 1 1 154 154 GLN HE22 H 1 6.833 0.020 . 1 . . . . . . . . 6241 1 1987 . 1 1 155 155 LEU H H 1 7.665 0.003 . 1 . . . . . . . . 6241 1 1988 . 1 1 155 155 LEU N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 1989 . 1 1 155 155 LEU CA C 13 57.380 0.080 . 1 . . . . . . . . 6241 1 1990 . 1 1 155 155 LEU HA H 1 3.771 0.001 . 1 . . . . . . . . 6241 1 1991 . 1 1 155 155 LEU C C 13 180.310 0.080 . 1 . . . . . . . . 6241 1 1992 . 1 1 155 155 LEU CB C 13 40.999 0.080 . 1 . . . . . . . . 6241 1 1993 . 1 1 155 155 LEU HB2 H 1 1.569 0.001 . 1 . . . . . . . . 6241 1 1994 . 1 1 155 155 LEU HB3 H 1 0.668 0.020 . 1 . . . . . . . . 6241 1 1995 . 1 1 155 155 LEU CG C 13 26.835 0.080 . 1 . . . . . . . . 6241 1 1996 . 1 1 155 155 LEU CD1 C 13 25.709 0.080 . 1 . . . . . . . . 6241 1 1997 . 1 1 155 155 LEU HD11 H 1 0.976 0.001 . 1 . . . . . . . . 6241 1 1998 . 1 1 155 155 LEU HD12 H 1 0.976 0.001 . 1 . . . . . . . . 6241 1 1999 . 1 1 155 155 LEU HD13 H 1 0.976 0.001 . 1 . . . . . . . . 6241 1 2000 . 1 1 155 155 LEU CD2 C 13 21.685 0.080 . 1 . . . . . . . . 6241 1 2001 . 1 1 155 155 LEU HD21 H 1 0.085 0.020 . 1 . . . . . . . . 6241 1 2002 . 1 1 155 155 LEU HD22 H 1 0.085 0.020 . 1 . . . . . . . . 6241 1 2003 . 1 1 155 155 LEU HD23 H 1 0.085 0.020 . 1 . . . . . . . . 6241 1 2004 . 1 1 155 155 LEU HG H 1 0.104 0.001 . 1 . . . . . . . . 6241 1 2005 . 1 1 156 156 GLN H H 1 7.905 0.001 . 1 . . . . . . . . 6241 1 2006 . 1 1 156 156 GLN N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 2007 . 1 1 156 156 GLN CA C 13 59.360 0.080 . 1 . . . . . . . . 6241 1 2008 . 1 1 156 156 GLN HA H 1 4.416 0.001 . 1 . . . . . . . . 6241 1 2009 . 1 1 156 156 GLN CB C 13 29.410 0.080 . 1 . . . . . . . . 6241 1 2010 . 1 1 156 156 GLN HB2 H 1 2.175 0.020 . 1 . . . . . . . . 6241 1 2011 . 1 1 156 156 GLN HB3 H 1 2.175 0.020 . 1 . . . . . . . . 6241 1 2012 . 1 1 156 156 GLN CG C 13 35.205 0.080 . 1 . . . . . . . . 6241 1 2013 . 1 1 156 156 GLN HG2 H 1 2.493 0.020 . 1 . . . . . . . . 6241 1 2014 . 1 1 156 156 GLN HG3 H 1 2.264 0.003 . 1 . . . . . . . . 6241 1 2015 . 1 1 156 156 GLN NE2 N 15 109.624 0.070 . 1 . . . . . . . . 6241 1 2016 . 1 1 156 156 GLN HE21 H 1 7.149 0.001 . 1 . . . . . . . . 6241 1 2017 . 1 1 156 156 GLN HE22 H 1 6.841 0.020 . 1 . . . . . . . . 6241 1 2018 . 1 1 157 157 GLN H H 1 8.055 0.001 . 1 . . . . . . . . 6241 1 2019 . 1 1 157 157 GLN N N 15 121.343 0.070 . 1 . . . . . . . . 6241 1 2020 . 1 1 157 157 GLN CA C 13 58.610 0.080 . 1 . . . . . . . . 6241 1 2021 . 1 1 157 157 GLN HA H 1 4.047 0.002 . 1 . . . . . . . . 6241 1 2022 . 1 1 157 157 GLN C C 13 177.730 0.080 . 1 . . . . . . . . 6241 1 2023 . 1 1 157 157 GLN CB C 13 28.123 0.080 . 1 . . . . . . . . 6241 1 2024 . 1 1 157 157 GLN HB2 H 1 2.246 0.020 . 1 . . . . . . . . 6241 1 2025 . 1 1 157 157 GLN HB3 H 1 2.246 0.020 . 1 . . . . . . . . 6241 1 2026 . 1 1 157 157 GLN CG C 13 34.078 0.080 . 1 . . . . . . . . 6241 1 2027 . 1 1 157 157 GLN HG2 H 1 2.470 0.020 . 1 . . . . . . . . 6241 1 2028 . 1 1 157 157 GLN HG3 H 1 2.470 0.020 . 1 . . . . . . . . 6241 1 2029 . 1 1 157 157 GLN NE2 N 15 111.656 0.070 . 1 . . . . . . . . 6241 1 2030 . 1 1 157 157 GLN HE21 H 1 7.436 0.020 . 1 . . . . . . . . 6241 1 2031 . 1 1 157 157 GLN HE22 H 1 6.794 0.001 . 1 . . . . . . . . 6241 1 2032 . 1 1 158 158 GLU H H 1 7.655 0.001 . 1 . . . . . . . . 6241 1 2033 . 1 1 158 158 GLU N N 15 117.906 0.070 . 1 . . . . . . . . 6241 1 2034 . 1 1 158 158 GLU CA C 13 56.880 0.080 . 1 . . . . . . . . 6241 1 2035 . 1 1 158 158 GLU HA H 1 4.197 0.003 . 1 . . . . . . . . 6241 1 2036 . 1 1 158 158 GLU C C 13 175.860 0.080 . 1 . . . . . . . . 6241 1 2037 . 1 1 158 158 GLU CB C 13 29.893 0.080 . 1 . . . . . . . . 6241 1 2038 . 1 1 158 158 GLU HB2 H 1 2.264 0.001 . 1 . . . . . . . . 6241 1 2039 . 1 1 158 158 GLU HB3 H 1 2.167 0.002 . 1 . . . . . . . . 6241 1 2040 . 1 1 158 158 GLU CG C 13 36.331 0.080 . 1 . . . . . . . . 6241 1 2041 . 1 1 158 158 GLU HG2 H 1 2.455 0.002 . 1 . . . . . . . . 6241 1 2042 . 1 1 158 158 GLU HG3 H 1 2.282 0.020 . 1 . . . . . . . . 6241 1 2043 . 1 1 159 159 GLY H H 1 7.516 0.020 . 1 . . . . . . . . 6241 1 2044 . 1 1 159 159 GLY N N 15 104.156 0.070 . 1 . . . . . . . . 6241 1 2045 . 1 1 159 159 GLY CA C 13 44.540 0.080 . 1 . . . . . . . . 6241 1 2046 . 1 1 159 159 GLY HA2 H 1 4.184 0.002 . 1 . . . . . . . . 6241 1 2047 . 1 1 159 159 GLY HA3 H 1 3.584 0.002 . 1 . . . . . . . . 6241 1 2048 . 1 1 159 159 GLY C C 13 177.990 0.080 . 1 . . . . . . . . 6241 1 2049 . 1 1 160 160 TYR H H 1 8.156 0.005 . 1 . . . . . . . . 6241 1 2050 . 1 1 160 160 TYR N N 15 119.625 0.070 . 1 . . . . . . . . 6241 1 2051 . 1 1 160 160 TYR CA C 13 59.570 0.080 . 1 . . . . . . . . 6241 1 2052 . 1 1 160 160 TYR HA H 1 4.437 0.002 . 1 . . . . . . . . 6241 1 2053 . 1 1 160 160 TYR C C 13 177.390 0.080 . 1 . . . . . . . . 6241 1 2054 . 1 1 160 160 TYR CB C 13 38.424 0.080 . 1 . . . . . . . . 6241 1 2055 . 1 1 160 160 TYR HB2 H 1 2.525 0.004 . 1 . . . . . . . . 6241 1 2056 . 1 1 160 160 TYR HB3 H 1 2.223 0.003 . 1 . . . . . . . . 6241 1 2057 . 1 1 160 160 TYR CD1 C 13 133.430 0.080 . 1 . . . . . . . . 6241 1 2058 . 1 1 160 160 TYR HD1 H 1 6.848 0.020 . 1 . . . . . . . . 6241 1 2059 . 1 1 160 160 TYR CD2 C 13 133.430 0.080 . 1 . . . . . . . . 6241 1 2060 . 1 1 160 160 TYR HD2 H 1 6.848 0.020 . 1 . . . . . . . . 6241 1 2061 . 1 1 160 160 TYR CE1 C 13 118.648 0.080 . 1 . . . . . . . . 6241 1 2062 . 1 1 160 160 TYR HE1 H 1 6.757 0.020 . 1 . . . . . . . . 6241 1 2063 . 1 1 160 160 TYR CE2 C 13 118.648 0.080 . 1 . . . . . . . . 6241 1 2064 . 1 1 160 160 TYR HE2 H 1 6.757 0.020 . 1 . . . . . . . . 6241 1 2065 . 1 1 161 161 SER H H 1 9.240 0.002 . 1 . . . . . . . . 6241 1 2066 . 1 1 161 161 SER N N 15 117.593 0.070 . 1 . . . . . . . . 6241 1 2067 . 1 1 161 161 SER CA C 13 58.170 0.080 . 1 . . . . . . . . 6241 1 2068 . 1 1 161 161 SER HA H 1 4.596 0.001 . 1 . . . . . . . . 6241 1 2069 . 1 1 161 161 SER C C 13 172.470 0.080 . 1 . . . . . . . . 6241 1 2070 . 1 1 161 161 SER CB C 13 64.350 0.080 . 1 . . . . . . . . 6241 1 2071 . 1 1 161 161 SER HB2 H 1 3.732 0.020 . 1 . . . . . . . . 6241 1 2072 . 1 1 161 161 SER HB3 H 1 3.477 0.020 . 1 . . . . . . . . 6241 1 2073 . 1 1 162 162 ILE H H 1 8.302 0.002 . 1 . . . . . . . . 6241 1 2074 . 1 1 162 162 ILE N N 15 124.781 0.070 . 1 . . . . . . . . 6241 1 2075 . 1 1 162 162 ILE CA C 13 59.820 0.080 . 1 . . . . . . . . 6241 1 2076 . 1 1 162 162 ILE HA H 1 4.491 0.001 . 1 . . . . . . . . 6241 1 2077 . 1 1 162 162 ILE C C 13 173.410 0.080 . 1 . . . . . . . . 6241 1 2078 . 1 1 162 162 ILE CB C 13 38.585 0.080 . 1 . . . . . . . . 6241 1 2079 . 1 1 162 162 ILE HB H 1 1.566 0.003 . 1 . . . . . . . . 6241 1 2080 . 1 1 162 162 ILE CG2 C 13 17.661 0.080 . 1 . . . . . . . . 6241 1 2081 . 1 1 162 162 ILE HG21 H 1 0.409 0.001 . 1 . . . . . . . . 6241 1 2082 . 1 1 162 162 ILE HG22 H 1 0.409 0.001 . 1 . . . . . . . . 6241 1 2083 . 1 1 162 162 ILE HG23 H 1 0.409 0.001 . 1 . . . . . . . . 6241 1 2084 . 1 1 162 162 ILE CG1 C 13 26.835 0.080 . 1 . . . . . . . . 6241 1 2085 . 1 1 162 162 ILE HG12 H 1 1.085 0.002 . 1 . . . . . . . . 6241 1 2086 . 1 1 162 162 ILE HG13 H 1 0.894 0.002 . 1 . . . . . . . . 6241 1 2087 . 1 1 162 162 ILE CD1 C 13 13.798 0.080 . 1 . . . . . . . . 6241 1 2088 . 1 1 162 162 ILE HD11 H 1 0.450 0.001 . 1 . . . . . . . . 6241 1 2089 . 1 1 162 162 ILE HD12 H 1 0.450 0.001 . 1 . . . . . . . . 6241 1 2090 . 1 1 162 162 ILE HD13 H 1 0.450 0.001 . 1 . . . . . . . . 6241 1 2091 . 1 1 163 163 PHE H H 1 9.823 0.020 . 1 . . . . . . . . 6241 1 2092 . 1 1 163 163 PHE N N 15 126.031 0.070 . 1 . . . . . . . . 6241 1 2093 . 1 1 163 163 PHE CA C 13 55.770 0.080 . 1 . . . . . . . . 6241 1 2094 . 1 1 163 163 PHE HA H 1 5.274 0.004 . 1 . . . . . . . . 6241 1 2095 . 1 1 163 163 PHE C C 13 175.550 0.080 . 1 . . . . . . . . 6241 1 2096 . 1 1 163 163 PHE CB C 13 41.643 0.080 . 1 . . . . . . . . 6241 1 2097 . 1 1 163 163 PHE HB2 H 1 2.988 0.020 . 1 . . . . . . . . 6241 1 2098 . 1 1 163 163 PHE HB3 H 1 2.771 0.001 . 1 . . . . . . . . 6241 1 2099 . 1 1 163 163 PHE CD1 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 2100 . 1 1 163 163 PHE HD1 H 1 7.020 0.020 . 1 . . . . . . . . 6241 1 2101 . 1 1 163 163 PHE CD2 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 2102 . 1 1 163 163 PHE HD2 H 1 7.020 0.020 . 1 . . . . . . . . 6241 1 2103 . 1 1 163 163 PHE CE1 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 2104 . 1 1 163 163 PHE HE1 H 1 7.249 0.020 . 1 . . . . . . . . 6241 1 2105 . 1 1 163 163 PHE CE2 C 13 131.714 0.080 . 1 . . . . . . . . 6241 1 2106 . 1 1 163 163 PHE HE2 H 1 7.249 0.020 . 1 . . . . . . . . 6241 1 2107 . 1 1 163 163 PHE CZ C 13 129.998 0.080 . 1 . . . . . . . . 6241 1 2108 . 1 1 163 163 PHE HZ H 1 7.387 0.020 . 1 . . . . . . . . 6241 1 2109 . 1 1 164 164 VAL H H 1 9.830 0.002 . 1 . . . . . . . . 6241 1 2110 . 1 1 164 164 VAL N N 15 124.781 0.070 . 1 . . . . . . . . 6241 1 2111 . 1 1 164 164 VAL CA C 13 62.170 0.080 . 1 . . . . . . . . 6241 1 2112 . 1 1 164 164 VAL HA H 1 4.130 0.002 . 1 . . . . . . . . 6241 1 2113 . 1 1 164 164 VAL C C 13 175.400 0.080 . 1 . . . . . . . . 6241 1 2114 . 1 1 164 164 VAL CB C 13 33.273 0.080 . 1 . . . . . . . . 6241 1 2115 . 1 1 164 164 VAL HB H 1 1.831 0.004 . 1 . . . . . . . . 6241 1 2116 . 1 1 164 164 VAL CG1 C 13 21.202 0.080 . 1 . . . . . . . . 6241 1 2117 . 1 1 164 164 VAL HG11 H 1 0.781 0.020 . 1 . . . . . . . . 6241 1 2118 . 1 1 164 164 VAL HG12 H 1 0.781 0.020 . 1 . . . . . . . . 6241 1 2119 . 1 1 164 164 VAL HG13 H 1 0.781 0.020 . 1 . . . . . . . . 6241 1 2120 . 1 1 164 164 VAL CG2 C 13 21.041 0.080 . 1 . . . . . . . . 6241 1 2121 . 1 1 164 164 VAL HG21 H 1 0.748 0.001 . 1 . . . . . . . . 6241 1 2122 . 1 1 164 164 VAL HG22 H 1 0.748 0.001 . 1 . . . . . . . . 6241 1 2123 . 1 1 164 164 VAL HG23 H 1 0.748 0.001 . 1 . . . . . . . . 6241 1 2124 . 1 1 165 165 VAL H H 1 7.885 0.001 . 1 . . . . . . . . 6241 1 2125 . 1 1 165 165 VAL N N 15 126.656 0.070 . 1 . . . . . . . . 6241 1 2126 . 1 1 165 165 VAL CA C 13 61.960 0.080 . 1 . . . . . . . . 6241 1 2127 . 1 1 165 165 VAL HA H 1 4.547 0.001 . 1 . . . . . . . . 6241 1 2128 . 1 1 165 165 VAL C C 13 175.860 0.080 . 1 . . . . . . . . 6241 1 2129 . 1 1 165 165 VAL CB C 13 31.020 0.080 . 1 . . . . . . . . 6241 1 2130 . 1 1 165 165 VAL HB H 1 2.091 0.001 . 1 . . . . . . . . 6241 1 2131 . 1 1 165 165 VAL CG1 C 13 22.650 0.080 . 1 . . . . . . . . 6241 1 2132 . 1 1 165 165 VAL HG11 H 1 0.755 0.001 . 1 . . . . . . . . 6241 1 2133 . 1 1 165 165 VAL HG12 H 1 0.755 0.001 . 1 . . . . . . . . 6241 1 2134 . 1 1 165 165 VAL HG13 H 1 0.755 0.001 . 1 . . . . . . . . 6241 1 2135 . 1 1 165 165 VAL CG2 C 13 20.880 0.080 . 1 . . . . . . . . 6241 1 2136 . 1 1 165 165 VAL HG21 H 1 0.747 0.001 . 1 . . . . . . . . 6241 1 2137 . 1 1 165 165 VAL HG22 H 1 0.747 0.001 . 1 . . . . . . . . 6241 1 2138 . 1 1 165 165 VAL HG23 H 1 0.747 0.001 . 1 . . . . . . . . 6241 1 2139 . 1 1 166 166 LYS H H 1 9.415 0.002 . 1 . . . . . . . . 6241 1 2140 . 1 1 166 166 LYS N N 15 130.406 0.070 . 1 . . . . . . . . 6241 1 2141 . 1 1 166 166 LYS CA C 13 54.010 0.080 . 1 . . . . . . . . 6241 1 2142 . 1 1 166 166 LYS HA H 1 4.774 0.003 . 1 . . . . . . . . 6241 1 2143 . 1 1 166 166 LYS C C 13 175.250 0.080 . 1 . . . . . . . . 6241 1 2144 . 1 1 166 166 LYS CB C 13 34.400 0.080 . 1 . . . . . . . . 6241 1 2145 . 1 1 166 166 LYS HB2 H 1 1.827 0.020 . 1 . . . . . . . . 6241 1 2146 . 1 1 166 166 LYS HB3 H 1 1.705 0.003 . 1 . . . . . . . . 6241 1 2147 . 1 1 166 166 LYS CG C 13 24.260 0.080 . 1 . . . . . . . . 6241 1 2148 . 1 1 166 166 LYS HG2 H 1 1.506 0.020 . 1 . . . . . . . . 6241 1 2149 . 1 1 166 166 LYS HG3 H 1 1.303 0.020 . 1 . . . . . . . . 6241 1 2150 . 1 1 166 166 LYS CD C 13 29.089 0.080 . 1 . . . . . . . . 6241 1 2151 . 1 1 166 166 LYS HD2 H 1 1.722 0.020 . 1 . . . . . . . . 6241 1 2152 . 1 1 166 166 LYS HD3 H 1 1.722 0.020 . 1 . . . . . . . . 6241 1 2153 . 1 1 166 166 LYS CE C 13 41.643 0.080 . 1 . . . . . . . . 6241 1 2154 . 1 1 166 166 LYS HE2 H 1 3.038 0.001 . 1 . . . . . . . . 6241 1 2155 . 1 1 166 166 LYS HE3 H 1 2.952 0.001 . 1 . . . . . . . . 6241 1 2156 . 1 1 167 167 GLY H H 1 8.293 0.020 . 1 . . . . . . . . 6241 1 2157 . 1 1 167 167 GLY N N 15 111.656 0.070 . 1 . . . . . . . . 6241 1 2158 . 1 1 167 167 GLY CA C 13 43.413 0.080 . 1 . . . . . . . . 6241 1 2159 . 1 1 167 167 GLY HA2 H 1 4.724 0.020 . 1 . . . . . . . . 6241 1 2160 . 1 1 167 167 GLY HA3 H 1 3.724 0.020 . 1 . . . . . . . . 6241 1 2161 . 1 1 167 167 GLY C C 13 172.710 0.080 . 1 . . . . . . . . 6241 1 2162 . 1 1 168 168 ASP H H 1 8.392 0.001 . 1 . . . . . . . . 6241 1 2163 . 1 1 168 168 ASP N N 15 119.468 0.070 . 1 . . . . . . . . 6241 1 2164 . 1 1 168 168 ASP CA C 13 54.390 0.080 . 1 . . . . . . . . 6241 1 2165 . 1 1 168 168 ASP HA H 1 4.624 0.003 . 1 . . . . . . . . 6241 1 2166 . 1 1 168 168 ASP C C 13 175.200 0.080 . 1 . . . . . . . . 6241 1 2167 . 1 1 168 168 ASP CB C 13 40.516 0.080 . 1 . . . . . . . . 6241 1 2168 . 1 1 168 168 ASP HB2 H 1 2.615 0.001 . 1 . . . . . . . . 6241 1 2169 . 1 1 168 168 ASP HB3 H 1 2.543 0.001 . 1 . . . . . . . . 6241 1 2170 . 1 1 169 169 LEU H H 1 7.833 0.004 . 1 . . . . . . . . 6241 1 2171 . 1 1 169 169 LEU N N 15 126.031 0.070 . 1 . . . . . . . . 6241 1 2172 . 1 1 169 169 LEU CA C 13 52.970 0.080 . 1 . . . . . . . . 6241 1 2173 . 1 1 169 169 LEU HA H 1 4.360 0.001 . 1 . . . . . . . . 6241 1 2174 . 1 1 169 169 LEU CB C 13 40.999 0.080 . 1 . . . . . . . . 6241 1 2175 . 1 1 169 169 LEU HB2 H 1 1.521 0.020 . 1 . . . . . . . . 6241 1 2176 . 1 1 169 169 LEU HB3 H 1 1.521 0.020 . 1 . . . . . . . . 6241 1 2177 . 1 1 169 169 LEU CG C 13 26.996 0.080 . 1 . . . . . . . . 6241 1 2178 . 1 1 169 169 LEU CD1 C 13 24.743 0.080 . 1 . . . . . . . . 6241 1 2179 . 1 1 169 169 LEU HD11 H 1 0.816 0.001 . 1 . . . . . . . . 6241 1 2180 . 1 1 169 169 LEU HD12 H 1 0.816 0.001 . 1 . . . . . . . . 6241 1 2181 . 1 1 169 169 LEU HD13 H 1 0.816 0.001 . 1 . . . . . . . . 6241 1 2182 . 1 1 169 169 LEU CD2 C 13 24.260 0.080 . 1 . . . . . . . . 6241 1 2183 . 1 1 169 169 LEU HD21 H 1 0.742 0.020 . 1 . . . . . . . . 6241 1 2184 . 1 1 169 169 LEU HD22 H 1 0.742 0.020 . 1 . . . . . . . . 6241 1 2185 . 1 1 169 169 LEU HD23 H 1 0.742 0.020 . 1 . . . . . . . . 6241 1 2186 . 1 1 169 169 LEU HG H 1 1.645 0.020 . 1 . . . . . . . . 6241 1 2187 . 1 1 170 170 PRO CA C 13 62.850 0.080 . 1 . . . . . . . . 6241 1 2188 . 1 1 170 170 PRO HA H 1 4.519 0.002 . 1 . . . . . . . . 6241 1 2189 . 1 1 170 170 PRO C C 13 177.110 0.080 . 1 . . . . . . . . 6241 1 2190 . 1 1 170 170 PRO CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 2191 . 1 1 170 170 PRO HB2 H 1 2.477 0.020 . 1 . . . . . . . . 6241 1 2192 . 1 1 170 170 PRO HB3 H 1 1.960 0.003 . 1 . . . . . . . . 6241 1 2193 . 1 1 170 170 PRO CG C 13 27.801 0.080 . 1 . . . . . . . . 6241 1 2194 . 1 1 170 170 PRO HG2 H 1 1.960 0.020 . 1 . . . . . . . . 6241 1 2195 . 1 1 170 170 PRO HG3 H 1 1.847 0.020 . 1 . . . . . . . . 6241 1 2196 . 1 1 170 170 PRO CD C 13 50.200 0.080 . 1 . . . . . . . . 6241 1 2197 . 1 1 170 170 PRO HD2 H 1 3.858 0.001 . 1 . . . . . . . . 6241 1 2198 . 1 1 170 170 PRO HD3 H 1 3.436 0.002 . 1 . . . . . . . . 6241 1 2199 . 1 1 171 171 ASP H H 1 8.759 0.007 . 1 . . . . . . . . 6241 1 2200 . 1 1 171 171 ASP N N 15 123.531 0.070 . 1 . . . . . . . . 6241 1 2201 . 1 1 171 171 ASP CA C 13 55.150 0.080 . 1 . . . . . . . . 6241 1 2202 . 1 1 171 171 ASP HA H 1 4.652 0.003 . 1 . . . . . . . . 6241 1 2203 . 1 1 171 171 ASP C C 13 175.740 0.080 . 1 . . . . . . . . 6241 1 2204 . 1 1 171 171 ASP CB C 13 41.160 0.080 . 1 . . . . . . . . 6241 1 2205 . 1 1 171 171 ASP HB2 H 1 2.662 0.020 . 1 . . . . . . . . 6241 1 2206 . 1 1 171 171 ASP HB3 H 1 2.587 0.020 . 1 . . . . . . . . 6241 1 2207 . 1 1 172 172 CYS H H 1 8.462 0.001 . 1 . . . . . . . . 6241 1 2208 . 1 1 172 172 CYS N N 15 115.406 0.070 . 1 . . . . . . . . 6241 1 2209 . 1 1 172 172 CYS CA C 13 56.040 0.080 . 1 . . . . . . . . 6241 1 2210 . 1 1 172 172 CYS HA H 1 5.098 0.020 . 1 . . . . . . . . 6241 1 2211 . 1 1 172 172 CYS C C 13 174.680 0.080 . 1 . . . . . . . . 6241 1 2212 . 1 1 172 172 CYS CB C 13 31.986 0.080 . 1 . . . . . . . . 6241 1 2213 . 1 1 172 172 CYS HB2 H 1 3.300 0.008 . 1 . . . . . . . . 6241 1 2214 . 1 1 172 172 CYS HB3 H 1 3.194 0.001 . 1 . . . . . . . . 6241 1 2215 . 1 1 173 173 GLU H H 1 8.994 0.002 . 1 . . . . . . . . 6241 1 2216 . 1 1 173 173 GLU N N 15 123.062 0.070 . 1 . . . . . . . . 6241 1 2217 . 1 1 173 173 GLU CA C 13 59.660 0.080 . 1 . . . . . . . . 6241 1 2218 . 1 1 173 173 GLU HA H 1 4.080 0.003 . 1 . . . . . . . . 6241 1 2219 . 1 1 173 173 GLU C C 13 178.580 0.080 . 1 . . . . . . . . 6241 1 2220 . 1 1 173 173 GLU CB C 13 30.054 0.080 . 1 . . . . . . . . 6241 1 2221 . 1 1 173 173 GLU HB2 H 1 2.130 0.001 . 1 . . . . . . . . 6241 1 2222 . 1 1 173 173 GLU HB3 H 1 2.055 0.020 . 1 . . . . . . . . 6241 1 2223 . 1 1 173 173 GLU CG C 13 36.653 0.080 . 1 . . . . . . . . 6241 1 2224 . 1 1 173 173 GLU HG2 H 1 2.379 0.020 . 1 . . . . . . . . 6241 1 2225 . 1 1 173 173 GLU HG3 H 1 2.285 0.020 . 1 . . . . . . . . 6241 1 2226 . 1 1 174 174 ALA H H 1 8.586 0.002 . 1 . . . . . . . . 6241 1 2227 . 1 1 174 174 ALA N N 15 119.781 0.070 . 1 . . . . . . . . 6241 1 2228 . 1 1 174 174 ALA CA C 13 54.680 0.080 . 1 . . . . . . . . 6241 1 2229 . 1 1 174 174 ALA HA H 1 4.114 0.003 . 1 . . . . . . . . 6241 1 2230 . 1 1 174 174 ALA C C 13 178.170 0.080 . 1 . . . . . . . . 6241 1 2231 . 1 1 174 174 ALA CB C 13 19.592 0.080 . 1 . . . . . . . . 6241 1 2232 . 1 1 174 174 ALA HB1 H 1 1.353 0.001 . 1 . . . . . . . . 6241 1 2233 . 1 1 174 174 ALA HB2 H 1 1.353 0.001 . 1 . . . . . . . . 6241 1 2234 . 1 1 174 174 ALA HB3 H 1 1.353 0.001 . 1 . . . . . . . . 6241 1 2235 . 1 1 175 175 ASP H H 1 7.540 0.001 . 1 . . . . . . . . 6241 1 2236 . 1 1 175 175 ASP N N 15 116.500 0.070 . 1 . . . . . . . . 6241 1 2237 . 1 1 175 175 ASP CA C 13 56.650 0.080 . 1 . . . . . . . . 6241 1 2238 . 1 1 175 175 ASP HA H 1 4.437 0.004 . 1 . . . . . . . . 6241 1 2239 . 1 1 175 175 ASP C C 13 177.300 0.080 . 1 . . . . . . . . 6241 1 2240 . 1 1 175 175 ASP CB C 13 41.804 0.080 . 1 . . . . . . . . 6241 1 2241 . 1 1 175 175 ASP HB2 H 1 2.831 0.001 . 1 . . . . . . . . 6241 1 2242 . 1 1 175 175 ASP HB3 H 1 2.758 0.001 . 1 . . . . . . . . 6241 1 2243 . 1 1 176 176 GLN H H 1 7.577 0.009 . 1 . . . . . . . . 6241 1 2244 . 1 1 176 176 GLN N N 15 116.500 0.070 . 1 . . . . . . . . 6241 1 2245 . 1 1 176 176 GLN CA C 13 57.200 0.080 . 1 . . . . . . . . 6241 1 2246 . 1 1 176 176 GLN HA H 1 4.231 0.020 . 1 . . . . . . . . 6241 1 2247 . 1 1 176 176 GLN CB C 13 28.928 0.080 . 1 . . . . . . . . 6241 1 2248 . 1 1 176 176 GLN HB2 H 1 2.172 0.002 . 1 . . . . . . . . 6241 1 2249 . 1 1 176 176 GLN HB3 H 1 2.172 0.003 . 1 . . . . . . . . 6241 1 2250 . 1 1 176 176 GLN CG C 13 33.756 0.080 . 1 . . . . . . . . 6241 1 2251 . 1 1 176 176 GLN HG2 H 1 2.512 0.020 . 1 . . . . . . . . 6241 1 2252 . 1 1 176 176 GLN HG3 H 1 2.512 0.020 . 1 . . . . . . . . 6241 1 2253 . 1 1 176 176 GLN NE2 N 15 112.437 0.070 . 1 . . . . . . . . 6241 1 2254 . 1 1 176 176 GLN HE21 H 1 7.604 0.001 . 1 . . . . . . . . 6241 1 2255 . 1 1 176 176 GLN HE22 H 1 6.805 0.002 . 1 . . . . . . . . 6241 1 2256 . 1 1 177 177 LEU H H 1 8.147 0.002 . 1 . . . . . . . . 6241 1 2257 . 1 1 177 177 LEU N N 15 120.093 0.070 . 1 . . . . . . . . 6241 1 2258 . 1 1 177 177 LEU CA C 13 56.960 0.080 . 1 . . . . . . . . 6241 1 2259 . 1 1 177 177 LEU HA H 1 4.231 0.001 . 1 . . . . . . . . 6241 1 2260 . 1 1 177 177 LEU C C 13 174.580 0.080 . 1 . . . . . . . . 6241 1 2261 . 1 1 177 177 LEU CB C 13 42.287 0.080 . 1 . . . . . . . . 6241 1 2262 . 1 1 177 177 LEU HB2 H 1 1.754 0.020 . 1 . . . . . . . . 6241 1 2263 . 1 1 177 177 LEU HB3 H 1 1.543 0.001 . 1 . . . . . . . . 6241 1 2264 . 1 1 177 177 LEU CG C 13 26.996 0.080 . 1 . . . . . . . . 6241 1 2265 . 1 1 177 177 LEU CD1 C 13 25.226 0.080 . 1 . . . . . . . . 6241 1 2266 . 1 1 177 177 LEU HD11 H 1 0.918 0.001 . 1 . . . . . . . . 6241 1 2267 . 1 1 177 177 LEU HD12 H 1 0.918 0.001 . 1 . . . . . . . . 6241 1 2268 . 1 1 177 177 LEU HD13 H 1 0.918 0.001 . 1 . . . . . . . . 6241 1 2269 . 1 1 177 177 LEU CD2 C 13 23.294 0.080 . 1 . . . . . . . . 6241 1 2270 . 1 1 177 177 LEU HD21 H 1 0.887 0.020 . 1 . . . . . . . . 6241 1 2271 . 1 1 177 177 LEU HD22 H 1 0.887 0.020 . 1 . . . . . . . . 6241 1 2272 . 1 1 177 177 LEU HD23 H 1 0.887 0.020 . 1 . . . . . . . . 6241 1 2273 . 1 1 177 177 LEU HG H 1 1.772 0.003 . 1 . . . . . . . . 6241 1 2274 . 1 1 178 178 LEU H H 1 8.128 0.003 . 1 . . . . . . . . 6241 1 2275 . 1 1 178 178 LEU N N 15 119.780 0.070 . 1 . . . . . . . . 6241 1 2276 . 1 1 178 178 LEU CA C 13 56.200 0.080 . 1 . . . . . . . . 6241 1 2277 . 1 1 178 178 LEU HA H 1 4.290 0.007 . 1 . . . . . . . . 6241 1 2278 . 1 1 178 178 LEU CB C 13 41.482 0.080 . 1 . . . . . . . . 6241 1 2279 . 1 1 178 178 LEU HB2 H 1 1.730 0.020 . 1 . . . . . . . . 6241 1 2280 . 1 1 178 178 LEU HB3 H 1 1.695 0.003 . 1 . . . . . . . . 6241 1 2281 . 1 1 178 178 LEU CG C 13 27.640 0.080 . 1 . . . . . . . . 6241 1 2282 . 1 1 178 178 LEU CD1 C 13 23.616 0.080 . 1 . . . . . . . . 6241 1 2283 . 1 1 178 178 LEU HD11 H 1 0.876 0.001 . 1 . . . . . . . . 6241 1 2284 . 1 1 178 178 LEU HD12 H 1 0.876 0.001 . 1 . . . . . . . . 6241 1 2285 . 1 1 178 178 LEU HD13 H 1 0.876 0.001 . 1 . . . . . . . . 6241 1 2286 . 1 1 178 178 LEU CD2 C 13 25.548 0.080 . 1 . . . . . . . . 6241 1 2287 . 1 1 178 178 LEU HD21 H 1 0.850 0.020 . 1 . . . . . . . . 6241 1 2288 . 1 1 178 178 LEU HD22 H 1 0.850 0.020 . 1 . . . . . . . . 6241 1 2289 . 1 1 178 178 LEU HD23 H 1 0.850 0.020 . 1 . . . . . . . . 6241 1 2290 . 1 1 178 178 LEU HG H 1 1.676 0.001 . 1 . . . . . . . . 6241 1 2291 . 1 1 179 179 GLN H H 1 7.846 0.002 . 1 . . . . . . . . 6241 1 2292 . 1 1 179 179 GLN N N 15 118.840 0.070 . 1 . . . . . . . . 6241 1 2293 . 1 1 179 179 GLN CA C 13 56.600 0.080 . 1 . . . . . . . . 6241 1 2294 . 1 1 179 179 GLN HA H 1 4.290 0.005 . 1 . . . . . . . . 6241 1 2295 . 1 1 179 179 GLN C C 13 175.930 0.080 . 1 . . . . . . . . 6241 1 2296 . 1 1 179 179 GLN CB C 13 34.078 0.080 . 1 . . . . . . . . 6241 1 2297 . 1 1 179 179 GLN HB2 H 1 2.439 0.020 . 1 . . . . . . . . 6241 1 2298 . 1 1 179 179 GLN HB3 H 1 2.439 0.020 . 1 . . . . . . . . 6241 1 2299 . 1 1 179 179 GLN CG C 13 29.089 0.080 . 1 . . . . . . . . 6241 1 2300 . 1 1 179 179 GLN HG2 H 1 2.168 0.002 . 1 . . . . . . . . 6241 1 2301 . 1 1 179 179 GLN HG3 H 1 2.063 0.001 . 1 . . . . . . . . 6241 1 2302 . 1 1 179 179 GLN NE2 N 15 112.200 0.070 . 1 . . . . . . . . 6241 1 2303 . 1 1 179 179 GLN HE21 H 1 7.490 0.020 . 1 . . . . . . . . 6241 1 2304 . 1 1 179 179 GLN HE22 H 1 6.830 0.020 . 1 . . . . . . . . 6241 1 2305 . 1 1 180 180 MET H H 1 7.937 0.003 . 1 . . . . . . . . 6241 1 2306 . 1 1 180 180 MET N N 15 119.312 0.070 . 1 . . . . . . . . 6241 1 2307 . 1 1 180 180 MET CA C 13 55.650 0.080 . 1 . . . . . . . . 6241 1 2308 . 1 1 180 180 MET HA H 1 4.459 0.004 . 1 . . . . . . . . 6241 1 2309 . 1 1 180 180 MET C C 13 177.730 0.080 . 1 . . . . . . . . 6241 1 2310 . 1 1 180 180 MET CB C 13 33.112 0.080 . 1 . . . . . . . . 6241 1 2311 . 1 1 180 180 MET HB2 H 1 2.123 0.020 . 1 . . . . . . . . 6241 1 2312 . 1 1 180 180 MET HB3 H 1 2.055 0.001 . 1 . . . . . . . . 6241 1 2313 . 1 1 180 180 MET CG C 13 32.147 0.080 . 1 . . . . . . . . 6241 1 2314 . 1 1 180 180 MET HG2 H 1 2.656 0.003 . 1 . . . . . . . . 6241 1 2315 . 1 1 180 180 MET HG3 H 1 2.559 0.001 . 1 . . . . . . . . 6241 1 2316 . 1 1 180 180 MET CE C 13 16.850 0.000 . 1 . . . . . . . . 6241 1 2317 . 1 1 180 180 MET HE1 H 1 1.975 0.000 . 1 . . . . . . . . 6241 1 2318 . 1 1 180 180 MET HE2 H 1 1.975 0.000 . 1 . . . . . . . . 6241 1 2319 . 1 1 180 180 MET HE3 H 1 1.975 0.000 . 1 . . . . . . . . 6241 1 2320 . 1 1 181 181 ILE H H 1 8.022 0.002 . 1 . . . . . . . . 6241 1 2321 . 1 1 181 181 ILE N N 15 122.430 0.070 . 1 . . . . . . . . 6241 1 2322 . 1 1 181 181 ILE CA C 13 61.420 0.080 . 1 . . . . . . . . 6241 1 2323 . 1 1 181 181 ILE HA H 1 4.177 0.002 . 1 . . . . . . . . 6241 1 2324 . 1 1 181 181 ILE C C 13 175.160 0.080 . 1 . . . . . . . . 6241 1 2325 . 1 1 181 181 ILE CB C 13 38.585 0.080 . 1 . . . . . . . . 6241 1 2326 . 1 1 181 181 ILE HB H 1 1.922 0.020 . 1 . . . . . . . . 6241 1 2327 . 1 1 181 181 ILE CG2 C 13 17.500 0.080 . 1 . . . . . . . . 6241 1 2328 . 1 1 181 181 ILE HG21 H 1 0.936 0.001 . 1 . . . . . . . . 6241 1 2329 . 1 1 181 181 ILE HG22 H 1 0.936 0.001 . 1 . . . . . . . . 6241 1 2330 . 1 1 181 181 ILE HG23 H 1 0.936 0.001 . 1 . . . . . . . . 6241 1 2331 . 1 1 181 181 ILE CG1 C 13 27.318 0.080 . 1 . . . . . . . . 6241 1 2332 . 1 1 181 181 ILE HG12 H 1 1.538 0.001 . 1 . . . . . . . . 6241 1 2333 . 1 1 181 181 ILE HG13 H 1 1.248 0.020 . 1 . . . . . . . . 6241 1 2334 . 1 1 181 181 ILE CD1 C 13 12.832 0.080 . 1 . . . . . . . . 6241 1 2335 . 1 1 181 181 ILE HD11 H 1 0.888 0.001 . 1 . . . . . . . . 6241 1 2336 . 1 1 181 181 ILE HD12 H 1 0.888 0.001 . 1 . . . . . . . . 6241 1 2337 . 1 1 181 181 ILE HD13 H 1 0.888 0.001 . 1 . . . . . . . . 6241 1 2338 . 1 1 182 182 ARG H H 1 7.952 0.001 . 1 . . . . . . . . 6241 1 2339 . 1 1 182 182 ARG N N 15 130.400 0.070 . 1 . . . . . . . . 6241 1 2340 . 1 1 182 182 ARG CA C 13 57.580 0.080 . 1 . . . . . . . . 6241 1 2341 . 1 1 182 182 ARG HA H 1 4.213 0.001 . 1 . . . . . . . . 6241 1 2342 . 1 1 182 182 ARG CB C 13 31.825 0.080 . 1 . . . . . . . . 6241 1 2343 . 1 1 182 182 ARG HB2 H 1 1.850 0.001 . 1 . . . . . . . . 6241 1 2344 . 1 1 182 182 ARG HB3 H 1 1.721 0.020 . 1 . . . . . . . . 6241 1 2345 . 1 1 182 182 ARG CG C 13 27.318 0.080 . 1 . . . . . . . . 6241 1 2346 . 1 1 182 182 ARG HG2 H 1 1.589 0.020 . 1 . . . . . . . . 6241 1 2347 . 1 1 182 182 ARG HG3 H 1 1.589 0.020 . 1 . . . . . . . . 6241 1 2348 . 1 1 182 182 ARG CD C 13 43.574 0.080 . 1 . . . . . . . . 6241 1 2349 . 1 1 182 182 ARG HD2 H 1 3.195 0.020 . 1 . . . . . . . . 6241 1 2350 . 1 1 182 182 ARG HD3 H 1 3.195 0.020 . 1 . . . . . . . . 6241 1 stop_ save_