data_5398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5398 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical shift assignments for 3-methyladenine DNA glycosylase I (TAG) from Escherichia coli ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-06-17 _Entry.Accession_date 2002-06-17 _Entry.Last_release_date 2003-02-20 _Entry.Original_release_date 2003-02-20 _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 James Stivers . T . 5398 2 Alexander Drohat . C . 5398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1232 5398 '13C chemical shifts' 779 5398 '15N chemical shifts' 183 5398 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 . . 2003-02-20 2002-06-17 original author . 5398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5668 '3-methyladenine DNA glycosylase I (TAG) complex with zinc' 5398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22186946 _Citation.DOI . _Citation.PubMed_ID 12161745 _Citation.Full_citation . _Citation.Title ; 3-Methyladenine DNA Glycosylase I is an Unexpected Helix-hairpin-helix Superfamily Member ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 9 _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 659 _Citation.Page_last 664 _Citation.Year 2002 _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 Alexander Drohat . C. . 5398 1 2 Keehwan Kwon . . . 5398 1 3 Daniel Krosky . J. . 5398 1 4 James Stivers . T. . 5398 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID TAG 5398 1 '3-Methyladenine DNA glycosylase I' 5398 1 'helix-hairpin-helix superfamily' 5398 1 'DNA repair' 5398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_TAG _Assembly.Sf_category assembly _Assembly.Sf_framecode system_TAG _Assembly.Entry_ID 5398 _Assembly.ID 1 _Assembly.Name '3-methyladenine DNA glycosylase I' _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 3.2.2.20 _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 5398 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 '3-methyladenine DNA glycosylase I' 1 $TAG . . . native . . . . . 5398 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . SWISS-PROT P05100 . . . . . . 5398 1 . PDB 1LMZ . . . . . . 5398 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID '3-methyladenine DNA glycosylase I' system 5398 1 TAG abbreviation 5398 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID ; HYDROLYSIS OF THE DEOXYRIBOSE N-GLYCOSIDIC BOND TO EXCISE 3-METHYLADENINE FROM THE DAMAGED DNA POLYMER FORMED BY ALKYLATION LESIONS. ; 5398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TAG _Entity.Sf_category entity _Entity.Sf_framecode TAG _Entity.Entry_ID 5398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name '3-methyladenine DNA glycosylase I' _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 ; MERCGWVSQDPLYIAYHDNE WGVPETDSKKLFEMICLEGQ QAGLSWITVLKKRENYRACF HQFDPVKVAAMQEEDVERLV QDAGIIRHRGKIQAIIGNAR AYLQMEQNGEPFADFVWSFV NHQPQMTQATTLSEIPTSTP ASDALSKALKKRGFKFVGTT ICYSFMQACGLVNDHVVGCC CYPGNKP ; _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 187 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21114 _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 5668 . TAG . . . . . 100.00 187 100.00 100.00 1.03e-138 . . . . 5398 1 2 no PDB 1LMZ . "Solution Structure Of 3-Methyladenine Dna Glycosylase I (Tag)" . . . . . 100.00 187 100.00 100.00 1.03e-138 . . . . 5398 1 3 no PDB 1NKU . "Nmr Solution Structure Of Zinc-Binding Protein 3- Methyladenine Dna Glycosylase I (Tag)" . . . . . 100.00 187 100.00 100.00 1.03e-138 . . . . 5398 1 4 no PDB 1P7M . "Solution Structure And Base Perturbation Studies Reveal A Novel Mode Of Alkylated Base Recognition By 3- Methyladenine Dna Glyc" . . . . . 100.00 187 100.00 100.00 1.03e-138 . . . . 5398 1 5 no DBJ BAB37857 . "3-methyl-adenine DNA glycosylase I [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 187 98.93 99.47 3.99e-137 . . . . 5398 1 6 no DBJ BAE77746 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 7 no DBJ BAG79346 . "3-methyl-adenine DNA glycosylase I [Escherichia coli SE11]" . . . . . 100.00 187 98.93 99.47 5.72e-137 . . . . 5398 1 8 no DBJ BAI28206 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 187 98.93 99.47 5.72e-137 . . . . 5398 1 9 no DBJ BAI33380 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 187 98.93 99.47 5.72e-137 . . . . 5398 1 10 no EMBL CAA27472 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 11 no EMBL CAP78009 . "DNA-3-methyladenine glycosylase 1 [Escherichia coli LF82]" . . . . . 100.00 187 98.40 100.00 5.66e-137 . . . . 5398 1 12 no EMBL CAQ33867 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli BL21(DE3)]" . . . . . 100.00 187 100.00 100.00 1.03e-138 . . . . 5398 1 13 no EMBL CAR00511 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli IAI1]" . . . . . 100.00 187 98.93 99.47 5.72e-137 . . . . 5398 1 14 no EMBL CAR05177 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli S88]" . . . . . 100.00 187 98.40 100.00 5.66e-137 . . . . 5398 1 15 no GB AAA24658 . "3-methyladenine-DNA glycosylase I (tag) [Escherichia coli]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 16 no GB AAB18526 . "3-methyladenine DNA glycosylase I, constitutive [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 17 no GB AAC76573 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 18 no GB AAG58698 . "3-methyladenine DNA glycosylase I [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 187 98.93 99.47 3.99e-137 . . . . 5398 1 19 no GB AAN82803 . "DNA-3-methyladenine glycosylase I [Escherichia coli CFT073]" . . . . . 100.00 242 98.93 100.00 4.69e-137 . . . . 5398 1 20 no REF NP_290134 . "3-methyladenine DNA glycosylase [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 187 98.93 99.47 3.99e-137 . . . . 5398 1 21 no REF NP_312461 . "3-methyladenine DNA glycosylase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 187 98.93 99.47 3.99e-137 . . . . 5398 1 22 no REF NP_418005 . "3-methyl-adenine DNA glycosylase I, constitutive [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 23 no REF NP_756229 . "3-methyl-adenine DNA glycosylase I [Escherichia coli CFT073]" . . . . . 100.00 187 98.93 100.00 3.50e-137 . . . . 5398 1 24 no REF WP_000438929 . "MULTISPECIES: DNA-3-methyladenine glycosylase [Escherichia]" . . . . . 99.47 187 97.85 99.46 5.97e-135 . . . . 5398 1 25 no SP P05100 . "RecName: Full=DNA-3-methyladenine glycosylase 1; AltName: Full=3-methyladenine-DNA glycosylase I, constitutive; Short=TAG I; Al" . . . . . 100.00 187 98.40 98.93 2.56e-136 . . . . 5398 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID '3-methyladenine DNA glycosylase I' common 5398 1 TAG abbreviation 5398 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 . 5398 1 2 . GLU . 5398 1 3 . ARG . 5398 1 4 . CYS . 5398 1 5 . GLY . 5398 1 6 . TRP . 5398 1 7 . VAL . 5398 1 8 . SER . 5398 1 9 . GLN . 5398 1 10 . ASP . 5398 1 11 . PRO . 5398 1 12 . LEU . 5398 1 13 . TYR . 5398 1 14 . ILE . 5398 1 15 . ALA . 5398 1 16 . TYR . 5398 1 17 . HIS . 5398 1 18 . ASP . 5398 1 19 . ASN . 5398 1 20 . GLU . 5398 1 21 . TRP . 5398 1 22 . GLY . 5398 1 23 . VAL . 5398 1 24 . PRO . 5398 1 25 . GLU . 5398 1 26 . THR . 5398 1 27 . ASP . 5398 1 28 . SER . 5398 1 29 . LYS . 5398 1 30 . LYS . 5398 1 31 . LEU . 5398 1 32 . PHE . 5398 1 33 . GLU . 5398 1 34 . MET . 5398 1 35 . ILE . 5398 1 36 . CYS . 5398 1 37 . LEU . 5398 1 38 . GLU . 5398 1 39 . GLY . 5398 1 40 . GLN . 5398 1 41 . GLN . 5398 1 42 . ALA . 5398 1 43 . GLY . 5398 1 44 . LEU . 5398 1 45 . SER . 5398 1 46 . TRP . 5398 1 47 . ILE . 5398 1 48 . THR . 5398 1 49 . VAL . 5398 1 50 . LEU . 5398 1 51 . LYS . 5398 1 52 . LYS . 5398 1 53 . ARG . 5398 1 54 . GLU . 5398 1 55 . ASN . 5398 1 56 . TYR . 5398 1 57 . ARG . 5398 1 58 . ALA . 5398 1 59 . CYS . 5398 1 60 . PHE . 5398 1 61 . HIS . 5398 1 62 . GLN . 5398 1 63 . PHE . 5398 1 64 . ASP . 5398 1 65 . PRO . 5398 1 66 . VAL . 5398 1 67 . LYS . 5398 1 68 . VAL . 5398 1 69 . ALA . 5398 1 70 . ALA . 5398 1 71 . MET . 5398 1 72 . GLN . 5398 1 73 . GLU . 5398 1 74 . GLU . 5398 1 75 . ASP . 5398 1 76 . VAL . 5398 1 77 . GLU . 5398 1 78 . ARG . 5398 1 79 . LEU . 5398 1 80 . VAL . 5398 1 81 . GLN . 5398 1 82 . ASP . 5398 1 83 . ALA . 5398 1 84 . GLY . 5398 1 85 . ILE . 5398 1 86 . ILE . 5398 1 87 . ARG . 5398 1 88 . HIS . 5398 1 89 . ARG . 5398 1 90 . GLY . 5398 1 91 . LYS . 5398 1 92 . ILE . 5398 1 93 . GLN . 5398 1 94 . ALA . 5398 1 95 . ILE . 5398 1 96 . ILE . 5398 1 97 . GLY . 5398 1 98 . ASN . 5398 1 99 . ALA . 5398 1 100 . ARG . 5398 1 101 . ALA . 5398 1 102 . TYR . 5398 1 103 . LEU . 5398 1 104 . GLN . 5398 1 105 . MET . 5398 1 106 . GLU . 5398 1 107 . GLN . 5398 1 108 . ASN . 5398 1 109 . GLY . 5398 1 110 . GLU . 5398 1 111 . PRO . 5398 1 112 . PHE . 5398 1 113 . ALA . 5398 1 114 . ASP . 5398 1 115 . PHE . 5398 1 116 . VAL . 5398 1 117 . TRP . 5398 1 118 . SER . 5398 1 119 . PHE . 5398 1 120 . VAL . 5398 1 121 . ASN . 5398 1 122 . HIS . 5398 1 123 . GLN . 5398 1 124 . PRO . 5398 1 125 . GLN . 5398 1 126 . MET . 5398 1 127 . THR . 5398 1 128 . GLN . 5398 1 129 . ALA . 5398 1 130 . THR . 5398 1 131 . THR . 5398 1 132 . LEU . 5398 1 133 . SER . 5398 1 134 . GLU . 5398 1 135 . ILE . 5398 1 136 . PRO . 5398 1 137 . THR . 5398 1 138 . SER . 5398 1 139 . THR . 5398 1 140 . PRO . 5398 1 141 . ALA . 5398 1 142 . SER . 5398 1 143 . ASP . 5398 1 144 . ALA . 5398 1 145 . LEU . 5398 1 146 . SER . 5398 1 147 . LYS . 5398 1 148 . ALA . 5398 1 149 . LEU . 5398 1 150 . LYS . 5398 1 151 . LYS . 5398 1 152 . ARG . 5398 1 153 . GLY . 5398 1 154 . PHE . 5398 1 155 . LYS . 5398 1 156 . PHE . 5398 1 157 . VAL . 5398 1 158 . GLY . 5398 1 159 . THR . 5398 1 160 . THR . 5398 1 161 . ILE . 5398 1 162 . CYS . 5398 1 163 . TYR . 5398 1 164 . SER . 5398 1 165 . PHE . 5398 1 166 . MET . 5398 1 167 . GLN . 5398 1 168 . ALA . 5398 1 169 . CYS . 5398 1 170 . GLY . 5398 1 171 . LEU . 5398 1 172 . VAL . 5398 1 173 . ASN . 5398 1 174 . ASP . 5398 1 175 . HIS . 5398 1 176 . VAL . 5398 1 177 . VAL . 5398 1 178 . GLY . 5398 1 179 . CYS . 5398 1 180 . CYS . 5398 1 181 . CYS . 5398 1 182 . TYR . 5398 1 183 . PRO . 5398 1 184 . GLY . 5398 1 185 . ASN . 5398 1 186 . LYS . 5398 1 187 . PRO . 5398 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 5398 1 . GLU 2 2 5398 1 . ARG 3 3 5398 1 . CYS 4 4 5398 1 . GLY 5 5 5398 1 . TRP 6 6 5398 1 . VAL 7 7 5398 1 . SER 8 8 5398 1 . GLN 9 9 5398 1 . ASP 10 10 5398 1 . PRO 11 11 5398 1 . LEU 12 12 5398 1 . TYR 13 13 5398 1 . ILE 14 14 5398 1 . ALA 15 15 5398 1 . TYR 16 16 5398 1 . HIS 17 17 5398 1 . ASP 18 18 5398 1 . ASN 19 19 5398 1 . GLU 20 20 5398 1 . TRP 21 21 5398 1 . GLY 22 22 5398 1 . VAL 23 23 5398 1 . PRO 24 24 5398 1 . GLU 25 25 5398 1 . THR 26 26 5398 1 . ASP 27 27 5398 1 . SER 28 28 5398 1 . LYS 29 29 5398 1 . LYS 30 30 5398 1 . LEU 31 31 5398 1 . PHE 32 32 5398 1 . GLU 33 33 5398 1 . MET 34 34 5398 1 . ILE 35 35 5398 1 . CYS 36 36 5398 1 . LEU 37 37 5398 1 . GLU 38 38 5398 1 . GLY 39 39 5398 1 . GLN 40 40 5398 1 . GLN 41 41 5398 1 . ALA 42 42 5398 1 . GLY 43 43 5398 1 . LEU 44 44 5398 1 . SER 45 45 5398 1 . TRP 46 46 5398 1 . ILE 47 47 5398 1 . THR 48 48 5398 1 . VAL 49 49 5398 1 . LEU 50 50 5398 1 . LYS 51 51 5398 1 . LYS 52 52 5398 1 . ARG 53 53 5398 1 . GLU 54 54 5398 1 . ASN 55 55 5398 1 . TYR 56 56 5398 1 . ARG 57 57 5398 1 . ALA 58 58 5398 1 . CYS 59 59 5398 1 . PHE 60 60 5398 1 . HIS 61 61 5398 1 . GLN 62 62 5398 1 . PHE 63 63 5398 1 . ASP 64 64 5398 1 . PRO 65 65 5398 1 . VAL 66 66 5398 1 . LYS 67 67 5398 1 . VAL 68 68 5398 1 . ALA 69 69 5398 1 . ALA 70 70 5398 1 . MET 71 71 5398 1 . GLN 72 72 5398 1 . GLU 73 73 5398 1 . GLU 74 74 5398 1 . ASP 75 75 5398 1 . VAL 76 76 5398 1 . GLU 77 77 5398 1 . ARG 78 78 5398 1 . LEU 79 79 5398 1 . VAL 80 80 5398 1 . GLN 81 81 5398 1 . ASP 82 82 5398 1 . ALA 83 83 5398 1 . GLY 84 84 5398 1 . ILE 85 85 5398 1 . ILE 86 86 5398 1 . ARG 87 87 5398 1 . HIS 88 88 5398 1 . ARG 89 89 5398 1 . GLY 90 90 5398 1 . LYS 91 91 5398 1 . ILE 92 92 5398 1 . GLN 93 93 5398 1 . ALA 94 94 5398 1 . ILE 95 95 5398 1 . ILE 96 96 5398 1 . GLY 97 97 5398 1 . ASN 98 98 5398 1 . ALA 99 99 5398 1 . ARG 100 100 5398 1 . ALA 101 101 5398 1 . TYR 102 102 5398 1 . LEU 103 103 5398 1 . GLN 104 104 5398 1 . MET 105 105 5398 1 . GLU 106 106 5398 1 . GLN 107 107 5398 1 . ASN 108 108 5398 1 . GLY 109 109 5398 1 . GLU 110 110 5398 1 . PRO 111 111 5398 1 . PHE 112 112 5398 1 . ALA 113 113 5398 1 . ASP 114 114 5398 1 . PHE 115 115 5398 1 . VAL 116 116 5398 1 . TRP 117 117 5398 1 . SER 118 118 5398 1 . PHE 119 119 5398 1 . VAL 120 120 5398 1 . ASN 121 121 5398 1 . HIS 122 122 5398 1 . GLN 123 123 5398 1 . PRO 124 124 5398 1 . GLN 125 125 5398 1 . MET 126 126 5398 1 . THR 127 127 5398 1 . GLN 128 128 5398 1 . ALA 129 129 5398 1 . THR 130 130 5398 1 . THR 131 131 5398 1 . LEU 132 132 5398 1 . SER 133 133 5398 1 . GLU 134 134 5398 1 . ILE 135 135 5398 1 . PRO 136 136 5398 1 . THR 137 137 5398 1 . SER 138 138 5398 1 . THR 139 139 5398 1 . PRO 140 140 5398 1 . ALA 141 141 5398 1 . SER 142 142 5398 1 . ASP 143 143 5398 1 . ALA 144 144 5398 1 . LEU 145 145 5398 1 . SER 146 146 5398 1 . LYS 147 147 5398 1 . ALA 148 148 5398 1 . LEU 149 149 5398 1 . LYS 150 150 5398 1 . LYS 151 151 5398 1 . ARG 152 152 5398 1 . GLY 153 153 5398 1 . PHE 154 154 5398 1 . LYS 155 155 5398 1 . PHE 156 156 5398 1 . VAL 157 157 5398 1 . GLY 158 158 5398 1 . THR 159 159 5398 1 . THR 160 160 5398 1 . ILE 161 161 5398 1 . CYS 162 162 5398 1 . TYR 163 163 5398 1 . SER 164 164 5398 1 . PHE 165 165 5398 1 . MET 166 166 5398 1 . GLN 167 167 5398 1 . ALA 168 168 5398 1 . CYS 169 169 5398 1 . GLY 170 170 5398 1 . LEU 171 171 5398 1 . VAL 172 172 5398 1 . ASN 173 173 5398 1 . ASP 174 174 5398 1 . HIS 175 175 5398 1 . VAL 176 176 5398 1 . VAL 177 177 5398 1 . GLY 178 178 5398 1 . CYS 179 179 5398 1 . CYS 180 180 5398 1 . CYS 181 181 5398 1 . TYR 182 182 5398 1 . PRO 183 183 5398 1 . GLY 184 184 5398 1 . ASN 185 185 5398 1 . LYS 186 186 5398 1 . PRO 187 187 5398 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 5398 _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 $TAG . 562 organism . 'Escherichia coli' 'E. Coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 5398 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 5398 _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 $TAG . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Sample.Sf_category sample _Sample.Sf_framecode Sample_1 _Sample.Entry_ID 5398 _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 '3-methyladenine DNA glycosylase I' . . . 1 $TAG . . . 0.5 1.0 mM . . . . 5398 1 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5398 1 3 NaCl . . . . . . . 100 . . mM . . . . 5398 1 4 DTT . . . . . . . 3 . . mM . . . . 5398 1 5 NaN3 . . . . . . . 0.3 . . mM . . . . 5398 1 stop_ save_ save_Sample_2 _Sample.Sf_category sample _Sample.Sf_framecode Sample_2 _Sample.Entry_ID 5398 _Sample.ID 2 _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 '3-methyladenine DNA glycosylase I' [U-15N] . . 1 $TAG . . . 0.5 1.0 mM . . . . 5398 2 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5398 2 3 NaCl . . . . . . . 100 . . mM . . . . 5398 2 4 DTT . . . . . . . 3 . . mM . . . . 5398 2 5 NaN3 . . . . . . . 0.3 . . mM . . . . 5398 2 stop_ save_ save_Sample_3 _Sample.Sf_category sample _Sample.Sf_framecode Sample_3 _Sample.Entry_ID 5398 _Sample.ID 3 _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 '3-methyladenine DNA glycosylase I' '[U-13C; U-15N]' . . 1 $TAG . . . 0.5 1.0 mM . . . . 5398 3 2 'sodium phosphate buffer' . . . . . . . 10 . . mM . . . . 5398 3 3 NaCl . . . . . . . 100 . . mM . . . . 5398 3 4 DTT . . . . . . . 3 . . mM . . . . 5398 3 5 NaN3 . . . . . . . 0.3 . . mM . . . . 5398 3 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 5398 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The pH was determined at 4C.' 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 6.6 0.1 n/a 5398 1 temperature 293 1 K 5398 1 'ionic strength' 110 . mM 5398 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5398 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'Delaglio, F. et al. J Biomol. NMR 6, 277-93 (1995).' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5398 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5398 _Software.ID 2 _Software.Name SPARKY _Software.Version 3 _Software.Details 'T.D. Goddard and D.G. Kneller, University of California, San Francisco.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5398 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 5398 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 5398 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 5398 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DMX . 500 . . . 5398 1 2 spectrometer_2 Bruker DMX . 600 . . . 5398 1 3 spectrometer_3 Bruker DMX . 750 . . . 5398 1 4 spectrometer_4 Varian UnityPlus . 600 . . . 5398 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 5398 _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 '13C-edited HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 2 '15N-edited HSQC' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 3 '2D NOESY (t = 125 ms) in D2O' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 4 '2D TOCSY in D2O' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 5 HNCA . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 6 HNCO . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 7 HCACO . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 8 HNCACB . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 9 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 10 HBHA(CO)NH . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 11 HCCH-TOCSY . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 12 HCCH-COSY . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 13 '15N-edited TOCSY' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 14 '15N-edited NOESY (t = 125 ms)' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 15 '13C-edited NOESY aliphatic (t = 125 ms)' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 16 '13C-edited NOESY aromatic (t = 125 ms)' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 17 '4D 13C,13C-edited NOESY (t = 100 ms)' . . . . . . . . . . . . . . . . 1 $sample_condition_1 . . . . . . . . . . . . . . . . . . . . . 5398 1 stop_ 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 5398 _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 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5398 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5398 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5398 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_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 1 _Assigned_chem_shift_list.Entry_ID 5398 _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 'None of the methyl or methylene resonances are stereospecifically assigned.' _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 . . 3 $Sample_3 . 5398 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 HA H 1 4.058 0.02 . 1 . . . . . . . . 5398 1 2 . 1 1 1 1 MET HB2 H 1 2.104 0.02 . 1 . . . . . . . . 5398 1 3 . 1 1 1 1 MET HB3 H 1 2.104 0.02 . 1 . . . . . . . . 5398 1 4 . 1 1 1 1 MET HE1 H 1 2.105 0.02 . 1 . . . . . . . . 5398 1 5 . 1 1 1 1 MET HE2 H 1 2.105 0.02 . 1 . . . . . . . . 5398 1 6 . 1 1 1 1 MET HE3 H 1 2.105 0.02 . 1 . . . . . . . . 5398 1 7 . 1 1 1 1 MET HG2 H 1 2.539 0.02 . 1 . . . . . . . . 5398 1 8 . 1 1 1 1 MET HG3 H 1 2.539 0.02 . 1 . . . . . . . . 5398 1 9 . 1 1 1 1 MET C C 13 171.9 0.08 . 1 . . . . . . . . 5398 1 10 . 1 1 1 1 MET CA C 13 54.90 0.08 . 1 . . . . . . . . 5398 1 11 . 1 1 1 1 MET CB C 13 32.95 0.08 . 1 . . . . . . . . 5398 1 12 . 1 1 1 1 MET CE C 13 16.80 0.08 . 1 . . . . . . . . 5398 1 13 . 1 1 1 1 MET CG C 13 30.88 0.08 . 1 . . . . . . . . 5398 1 14 . 1 1 2 2 GLU HA H 1 4.429 0.02 . 1 . . . . . . . . 5398 1 15 . 1 1 2 2 GLU HB2 H 1 1.936 0.02 . 1 . . . . . . . . 5398 1 16 . 1 1 2 2 GLU HB3 H 1 1.936 0.02 . 1 . . . . . . . . 5398 1 17 . 1 1 2 2 GLU H H 1 8.837 0.02 . 1 . . . . . . . . 5398 1 18 . 1 1 2 2 GLU HG2 H 1 2.116 0.02 . 2 . . . . . . . . 5398 1 19 . 1 1 2 2 GLU HG3 H 1 2.141 0.02 . 2 . . . . . . . . 5398 1 20 . 1 1 2 2 GLU C C 13 174.5 0.08 . 1 . . . . . . . . 5398 1 21 . 1 1 2 2 GLU CA C 13 55.43 0.08 . 1 . . . . . . . . 5398 1 22 . 1 1 2 2 GLU CB C 13 30.84 0.08 . 1 . . . . . . . . 5398 1 23 . 1 1 2 2 GLU CG C 13 35.67 0.08 . 1 . . . . . . . . 5398 1 24 . 1 1 2 2 GLU N N 15 125.4 0.08 . 1 . . . . . . . . 5398 1 25 . 1 1 3 3 ARG HA H 1 5.620 0.02 . 1 . . . . . . . . 5398 1 26 . 1 1 3 3 ARG HB2 H 1 1.106 0.02 . 1 . . . . . . . . 5398 1 27 . 1 1 3 3 ARG HB3 H 1 1.106 0.02 . 1 . . . . . . . . 5398 1 28 . 1 1 3 3 ARG HE H 1 9.574 0.02 . 1 . . . . . . . . 5398 1 29 . 1 1 3 3 ARG HD2 H 1 2.907 0.02 . 1 . . . . . . . . 5398 1 30 . 1 1 3 3 ARG HD3 H 1 2.907 0.02 . 1 . . . . . . . . 5398 1 31 . 1 1 3 3 ARG H H 1 8.221 0.02 . 1 . . . . . . . . 5398 1 32 . 1 1 3 3 ARG HG2 H 1 0.7080 0.02 . 2 . . . . . . . . 5398 1 33 . 1 1 3 3 ARG HG3 H 1 1.473 0.02 . 2 . . . . . . . . 5398 1 34 . 1 1 3 3 ARG C C 13 175.6 0.08 . 1 . . . . . . . . 5398 1 35 . 1 1 3 3 ARG CA C 13 53.72 0.08 . 1 . . . . . . . . 5398 1 36 . 1 1 3 3 ARG CB C 13 35.00 0.08 . 1 . . . . . . . . 5398 1 37 . 1 1 3 3 ARG CD C 13 42.60 0.08 . 1 . . . . . . . . 5398 1 38 . 1 1 3 3 ARG N N 15 119.8 0.08 . 1 . . . . . . . . 5398 1 39 . 1 1 3 3 ARG NE N 15 86.37 0.08 . 1 . . . . . . . . 5398 1 40 . 1 1 4 4 CYS HA H 1 3.856 0.02 . 1 . . . . . . . . 5398 1 41 . 1 1 4 4 CYS HB2 H 1 2.445 0.02 . 1 . . . . . . . . 5398 1 42 . 1 1 4 4 CYS HB3 H 1 2.445 0.02 . 1 . . . . . . . . 5398 1 43 . 1 1 4 4 CYS H H 1 6.912 0.02 . 1 . . . . . . . . 5398 1 44 . 1 1 4 4 CYS C C 13 178.0 0.08 . 1 . . . . . . . . 5398 1 45 . 1 1 4 4 CYS CA C 13 62.47 0.08 . 1 . . . . . . . . 5398 1 46 . 1 1 4 4 CYS CB C 13 31.03 0.08 . 1 . . . . . . . . 5398 1 47 . 1 1 4 4 CYS N N 15 118.9 0.08 . 1 . . . . . . . . 5398 1 48 . 1 1 5 5 GLY HA2 H 1 3.789 0.02 . 1 . . . . . . . . 5398 1 49 . 1 1 5 5 GLY HA3 H 1 3.789 0.02 . 1 . . . . . . . . 5398 1 50 . 1 1 5 5 GLY H H 1 8.932 0.02 . 1 . . . . . . . . 5398 1 51 . 1 1 5 5 GLY C C 13 173.3 0.08 . 1 . . . . . . . . 5398 1 52 . 1 1 5 5 GLY CA C 13 47.03 0.08 . 1 . . . . . . . . 5398 1 53 . 1 1 5 5 GLY N N 15 109.6 0.08 . 1 . . . . . . . . 5398 1 54 . 1 1 6 6 TRP HD1 H 1 7.254 0.02 . 1 . . . . . . . . 5398 1 55 . 1 1 6 6 TRP HE1 H 1 9.504 0.02 . 1 . . . . . . . . 5398 1 56 . 1 1 6 6 TRP HA H 1 4.551 0.02 . 1 . . . . . . . . 5398 1 57 . 1 1 6 6 TRP HB2 H 1 3.058 0.02 . 2 . . . . . . . . 5398 1 58 . 1 1 6 6 TRP HB3 H 1 3.523 0.02 . 2 . . . . . . . . 5398 1 59 . 1 1 6 6 TRP H H 1 6.482 0.02 . 1 . . . . . . . . 5398 1 60 . 1 1 6 6 TRP C C 13 176.8 0.08 . 1 . . . . . . . . 5398 1 61 . 1 1 6 6 TRP CA C 13 54.71 0.08 . 1 . . . . . . . . 5398 1 62 . 1 1 6 6 TRP CB C 13 28.19 0.08 . 1 . . . . . . . . 5398 1 63 . 1 1 6 6 TRP CD1 C 13 128.0 0.08 . 1 . . . . . . . . 5398 1 64 . 1 1 6 6 TRP N N 15 114.5 0.08 . 1 . . . . . . . . 5398 1 65 . 1 1 6 6 TRP NE1 N 15 130.1 0.08 . 1 . . . . . . . . 5398 1 66 . 1 1 7 7 VAL HA H 1 3.143 0.02 . 1 . . . . . . . . 5398 1 67 . 1 1 7 7 VAL HB H 1 1.357 0.02 . 1 . . . . . . . . 5398 1 68 . 1 1 7 7 VAL H H 1 6.815 0.02 . 1 . . . . . . . . 5398 1 69 . 1 1 7 7 VAL HG11 H 1 -0.3879 0.02 . 2 . . . . . . . . 5398 1 70 . 1 1 7 7 VAL HG12 H 1 -0.3879 0.02 . 2 . . . . . . . . 5398 1 71 . 1 1 7 7 VAL HG13 H 1 -0.3879 0.02 . 2 . . . . . . . . 5398 1 72 . 1 1 7 7 VAL HG21 H 1 0.3268 0.02 . 2 . . . . . . . . 5398 1 73 . 1 1 7 7 VAL HG22 H 1 0.3268 0.02 . 2 . . . . . . . . 5398 1 74 . 1 1 7 7 VAL HG23 H 1 0.3268 0.02 . 2 . . . . . . . . 5398 1 75 . 1 1 7 7 VAL C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 76 . 1 1 7 7 VAL CA C 13 63.60 0.08 . 1 . . . . . . . . 5398 1 77 . 1 1 7 7 VAL CB C 13 30.35 0.08 . 1 . . . . . . . . 5398 1 78 . 1 1 7 7 VAL CG1 C 13 21.42 0.08 . 2 . . . . . . . . 5398 1 79 . 1 1 7 7 VAL CG2 C 13 21.82 0.08 . 2 . . . . . . . . 5398 1 80 . 1 1 7 7 VAL N N 15 120.1 0.08 . 1 . . . . . . . . 5398 1 81 . 1 1 8 8 SER HA H 1 4.263 0.02 . 1 . . . . . . . . 5398 1 82 . 1 1 8 8 SER CA C 13 55.99 0.08 . 1 . . . . . . . . 5398 1 83 . 1 1 10 10 ASP HA H 1 4.818 0.02 . 1 . . . . . . . . 5398 1 84 . 1 1 10 10 ASP CA C 13 52.32 0.08 . 1 . . . . . . . . 5398 1 85 . 1 1 11 11 PRO HA H 1 4.344 0.02 . 1 . . . . . . . . 5398 1 86 . 1 1 11 11 PRO HB2 H 1 2.020 0.02 . 2 . . . . . . . . 5398 1 87 . 1 1 11 11 PRO HB3 H 1 2.433 0.02 . 2 . . . . . . . . 5398 1 88 . 1 1 11 11 PRO HD2 H 1 3.798 0.02 . 2 . . . . . . . . 5398 1 89 . 1 1 11 11 PRO HD3 H 1 4.042 0.02 . 2 . . . . . . . . 5398 1 90 . 1 1 11 11 PRO HG2 H 1 2.048 0.02 . 2 . . . . . . . . 5398 1 91 . 1 1 11 11 PRO HG3 H 1 2.108 0.02 . 2 . . . . . . . . 5398 1 92 . 1 1 11 11 PRO C C 13 179.4 0.08 . 1 . . . . . . . . 5398 1 93 . 1 1 11 11 PRO CA C 13 64.88 0.08 . 1 . . . . . . . . 5398 1 94 . 1 1 11 11 PRO CB C 13 32.05 0.08 . 1 . . . . . . . . 5398 1 95 . 1 1 11 11 PRO CD C 13 50.98 0.08 . 1 . . . . . . . . 5398 1 96 . 1 1 11 11 PRO CG C 13 27.16 0.08 . 1 . . . . . . . . 5398 1 97 . 1 1 12 12 LEU HA H 1 4.260 0.02 . 1 . . . . . . . . 5398 1 98 . 1 1 12 12 LEU HB2 H 1 1.575 0.02 . 2 . . . . . . . . 5398 1 99 . 1 1 12 12 LEU HB3 H 1 1.663 0.02 . 2 . . . . . . . . 5398 1 100 . 1 1 12 12 LEU HD11 H 1 0.8140 0.02 . 2 . . . . . . . . 5398 1 101 . 1 1 12 12 LEU HD12 H 1 0.8140 0.02 . 2 . . . . . . . . 5398 1 102 . 1 1 12 12 LEU HD13 H 1 0.8140 0.02 . 2 . . . . . . . . 5398 1 103 . 1 1 12 12 LEU HD21 H 1 0.9629 0.02 . 2 . . . . . . . . 5398 1 104 . 1 1 12 12 LEU HD22 H 1 0.9629 0.02 . 2 . . . . . . . . 5398 1 105 . 1 1 12 12 LEU HD23 H 1 0.9629 0.02 . 2 . . . . . . . . 5398 1 106 . 1 1 12 12 LEU H H 1 8.971 0.02 . 1 . . . . . . . . 5398 1 107 . 1 1 12 12 LEU HG H 1 1.642 0.02 . 1 . . . . . . . . 5398 1 108 . 1 1 12 12 LEU C C 13 179.5 0.08 . 1 . . . . . . . . 5398 1 109 . 1 1 12 12 LEU CA C 13 57.23 0.08 . 1 . . . . . . . . 5398 1 110 . 1 1 12 12 LEU CB C 13 42.09 0.08 . 1 . . . . . . . . 5398 1 111 . 1 1 12 12 LEU CD1 C 13 24.90 0.08 . 2 . . . . . . . . 5398 1 112 . 1 1 12 12 LEU CD2 C 13 24.15 0.08 . 2 . . . . . . . . 5398 1 113 . 1 1 12 12 LEU CG C 13 26.83 0.08 . 1 . . . . . . . . 5398 1 114 . 1 1 12 12 LEU N N 15 120.5 0.08 . 1 . . . . . . . . 5398 1 115 . 1 1 13 13 TYR HA H 1 4.892 0.02 . 1 . . . . . . . . 5398 1 116 . 1 1 13 13 TYR HB2 H 1 3.039 0.02 . 2 . . . . . . . . 5398 1 117 . 1 1 13 13 TYR HB3 H 1 3.174 0.02 . 2 . . . . . . . . 5398 1 118 . 1 1 13 13 TYR HE1 H 1 7.111 0.02 . 1 . . . . . . . . 5398 1 119 . 1 1 13 13 TYR HE2 H 1 7.111 0.02 . 1 . . . . . . . . 5398 1 120 . 1 1 13 13 TYR HD1 H 1 7.564 0.02 . 1 . . . . . . . . 5398 1 121 . 1 1 13 13 TYR HD2 H 1 7.564 0.02 . 1 . . . . . . . . 5398 1 122 . 1 1 13 13 TYR C C 13 178.5 0.08 . 1 . . . . . . . . 5398 1 123 . 1 1 13 13 TYR CA C 13 55.82 0.08 . 1 . . . . . . . . 5398 1 124 . 1 1 13 13 TYR CB C 13 37.85 0.08 . 1 . . . . . . . . 5398 1 125 . 1 1 13 13 TYR CD1 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 126 . 1 1 13 13 TYR CD2 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 127 . 1 1 13 13 TYR CE1 C 13 118.1 0.08 . 1 . . . . . . . . 5398 1 128 . 1 1 13 13 TYR CE2 C 13 118.1 0.08 . 1 . . . . . . . . 5398 1 129 . 1 1 14 14 ILE HA H 1 3.319 0.02 . 1 . . . . . . . . 5398 1 130 . 1 1 14 14 ILE HB H 1 1.753 0.02 . 1 . . . . . . . . 5398 1 131 . 1 1 14 14 ILE HD11 H 1 0.7369 0.02 . 1 . . . . . . . . 5398 1 132 . 1 1 14 14 ILE HD12 H 1 0.7369 0.02 . 1 . . . . . . . . 5398 1 133 . 1 1 14 14 ILE HD13 H 1 0.7369 0.02 . 1 . . . . . . . . 5398 1 134 . 1 1 14 14 ILE H H 1 8.169 0.02 . 1 . . . . . . . . 5398 1 135 . 1 1 14 14 ILE HG12 H 1 0.6924 0.02 . 2 . . . . . . . . 5398 1 136 . 1 1 14 14 ILE HG13 H 1 1.707 0.02 . 2 . . . . . . . . 5398 1 137 . 1 1 14 14 ILE HG21 H 1 0.7548 0.02 . 1 . . . . . . . . 5398 1 138 . 1 1 14 14 ILE HG22 H 1 0.7548 0.02 . 1 . . . . . . . . 5398 1 139 . 1 1 14 14 ILE HG23 H 1 0.7548 0.02 . 1 . . . . . . . . 5398 1 140 . 1 1 14 14 ILE C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 141 . 1 1 14 14 ILE CA C 13 66.33 0.08 . 1 . . . . . . . . 5398 1 142 . 1 1 14 14 ILE CB C 13 37.92 0.08 . 1 . . . . . . . . 5398 1 143 . 1 1 14 14 ILE CD1 C 13 13.04 0.08 . 1 . . . . . . . . 5398 1 144 . 1 1 14 14 ILE CG1 C 13 29.49 0.08 . 2 . . . . . . . . 5398 1 145 . 1 1 14 14 ILE CG2 C 13 16.13 0.08 . 2 . . . . . . . . 5398 1 146 . 1 1 14 14 ILE N N 15 120.5 0.08 . 1 . . . . . . . . 5398 1 147 . 1 1 15 15 ALA HA H 1 4.145 0.02 . 1 . . . . . . . . 5398 1 148 . 1 1 15 15 ALA HB1 H 1 1.569 0.02 . 1 . . . . . . . . 5398 1 149 . 1 1 15 15 ALA HB2 H 1 1.569 0.02 . 1 . . . . . . . . 5398 1 150 . 1 1 15 15 ALA HB3 H 1 1.569 0.02 . 1 . . . . . . . . 5398 1 151 . 1 1 15 15 ALA H H 1 8.141 0.02 . 1 . . . . . . . . 5398 1 152 . 1 1 15 15 ALA C C 13 179.6 0.08 . 1 . . . . . . . . 5398 1 153 . 1 1 15 15 ALA CA C 13 55.09 0.08 . 1 . . . . . . . . 5398 1 154 . 1 1 15 15 ALA CB C 13 17.64 0.08 . 1 . . . . . . . . 5398 1 155 . 1 1 15 15 ALA N N 15 120.2 0.08 . 1 . . . . . . . . 5398 1 156 . 1 1 16 16 TYR HA H 1 4.578 0.02 . 1 . . . . . . . . 5398 1 157 . 1 1 16 16 TYR HB2 H 1 3.408 0.02 . 2 . . . . . . . . 5398 1 158 . 1 1 16 16 TYR HB3 H 1 3.652 0.02 . 2 . . . . . . . . 5398 1 159 . 1 1 16 16 TYR HE1 H 1 7.091 0.02 . 1 . . . . . . . . 5398 1 160 . 1 1 16 16 TYR HE2 H 1 7.091 0.02 . 1 . . . . . . . . 5398 1 161 . 1 1 16 16 TYR HD1 H 1 7.446 0.02 . 1 . . . . . . . . 5398 1 162 . 1 1 16 16 TYR HD2 H 1 7.446 0.02 . 1 . . . . . . . . 5398 1 163 . 1 1 16 16 TYR H H 1 7.685 0.02 . 1 . . . . . . . . 5398 1 164 . 1 1 16 16 TYR C C 13 178.1 0.08 . 1 . . . . . . . . 5398 1 165 . 1 1 16 16 TYR CA C 13 61.40 0.08 . 1 . . . . . . . . 5398 1 166 . 1 1 16 16 TYR CB C 13 39.61 0.08 . 1 . . . . . . . . 5398 1 167 . 1 1 16 16 TYR CD1 C 13 132.5 0.08 . 1 . . . . . . . . 5398 1 168 . 1 1 16 16 TYR CD2 C 13 132.5 0.08 . 1 . . . . . . . . 5398 1 169 . 1 1 16 16 TYR CE1 C 13 119.5 0.08 . 1 . . . . . . . . 5398 1 170 . 1 1 16 16 TYR CE2 C 13 119.5 0.08 . 1 . . . . . . . . 5398 1 171 . 1 1 16 16 TYR N N 15 117.5 0.08 . 1 . . . . . . . . 5398 1 172 . 1 1 17 17 HIS HA H 1 4.044 0.02 . 1 . . . . . . . . 5398 1 173 . 1 1 17 17 HIS HB2 H 1 2.878 0.02 . 2 . . . . . . . . 5398 1 174 . 1 1 17 17 HIS HB3 H 1 3.328 0.02 . 2 . . . . . . . . 5398 1 175 . 1 1 17 17 HIS H H 1 9.088 0.02 . 1 . . . . . . . . 5398 1 176 . 1 1 17 17 HIS C C 13 175.0 0.08 . 1 . . . . . . . . 5398 1 177 . 1 1 17 17 HIS CA C 13 60.22 0.08 . 1 . . . . . . . . 5398 1 178 . 1 1 17 17 HIS CB C 13 28.52 0.08 . 1 . . . . . . . . 5398 1 179 . 1 1 17 17 HIS N N 15 120.5 0.08 . 1 . . . . . . . . 5398 1 180 . 1 1 18 18 ASP HA H 1 4.404 0.02 . 1 . . . . . . . . 5398 1 181 . 1 1 18 18 ASP HB2 H 1 2.521 0.02 . 2 . . . . . . . . 5398 1 182 . 1 1 18 18 ASP HB3 H 1 2.749 0.02 . 2 . . . . . . . . 5398 1 183 . 1 1 18 18 ASP H H 1 8.772 0.02 . 1 . . . . . . . . 5398 1 184 . 1 1 18 18 ASP C C 13 177.3 0.08 . 1 . . . . . . . . 5398 1 185 . 1 1 18 18 ASP CA C 13 55.87 0.08 . 1 . . . . . . . . 5398 1 186 . 1 1 18 18 ASP CB C 13 39.77 0.08 . 1 . . . . . . . . 5398 1 187 . 1 1 18 18 ASP N N 15 115.7 0.08 . 1 . . . . . . . . 5398 1 188 . 1 1 19 19 ASN HA H 1 4.950 0.02 . 1 . . . . . . . . 5398 1 189 . 1 1 19 19 ASN HB2 H 1 2.829 0.02 . 2 . . . . . . . . 5398 1 190 . 1 1 19 19 ASN HB3 H 1 2.956 0.02 . 2 . . . . . . . . 5398 1 191 . 1 1 19 19 ASN H H 1 8.228 0.02 . 1 . . . . . . . . 5398 1 192 . 1 1 19 19 ASN C C 13 175.3 0.08 . 1 . . . . . . . . 5398 1 193 . 1 1 19 19 ASN CA C 13 53.52 0.08 . 1 . . . . . . . . 5398 1 194 . 1 1 19 19 ASN CB C 13 40.87 0.08 . 1 . . . . . . . . 5398 1 195 . 1 1 19 19 ASN N N 15 111.8 0.08 . 1 . . . . . . . . 5398 1 196 . 1 1 20 20 GLU HA H 1 4.540 0.02 . 1 . . . . . . . . 5398 1 197 . 1 1 20 20 GLU HB2 H 1 2.018 0.02 . 1 . . . . . . . . 5398 1 198 . 1 1 20 20 GLU HB3 H 1 2.018 0.02 . 1 . . . . . . . . 5398 1 199 . 1 1 20 20 GLU H H 1 7.747 0.02 . 1 . . . . . . . . 5398 1 200 . 1 1 20 20 GLU HG2 H 1 2.253 0.02 . 1 . . . . . . . . 5398 1 201 . 1 1 20 20 GLU HG3 H 1 2.253 0.02 . 1 . . . . . . . . 5398 1 202 . 1 1 20 20 GLU C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 203 . 1 1 20 20 GLU CA C 13 57.73 0.08 . 1 . . . . . . . . 5398 1 204 . 1 1 20 20 GLU CB C 13 33.33 0.08 . 1 . . . . . . . . 5398 1 205 . 1 1 20 20 GLU N N 15 118.0 0.08 . 1 . . . . . . . . 5398 1 206 . 1 1 21 21 TRP HD1 H 1 7.625 0.02 . 1 . . . . . . . . 5398 1 207 . 1 1 21 21 TRP HE1 H 1 10.43 0.02 . 1 . . . . . . . . 5398 1 208 . 1 1 21 21 TRP HZ2 H 1 6.946 0.02 . 1 . . . . . . . . 5398 1 209 . 1 1 21 21 TRP HA H 1 4.130 0.02 . 1 . . . . . . . . 5398 1 210 . 1 1 21 21 TRP HB2 H 1 3.276 0.02 . 1 . . . . . . . . 5398 1 211 . 1 1 21 21 TRP HB3 H 1 3.276 0.02 . 1 . . . . . . . . 5398 1 212 . 1 1 21 21 TRP H H 1 7.743 0.02 . 1 . . . . . . . . 5398 1 213 . 1 1 21 21 TRP C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 214 . 1 1 21 21 TRP CA C 13 61.47 0.08 . 1 . . . . . . . . 5398 1 215 . 1 1 21 21 TRP CB C 13 28.86 0.08 . 1 . . . . . . . . 5398 1 216 . 1 1 21 21 TRP CD1 C 13 127.5 0.08 . 1 . . . . . . . . 5398 1 217 . 1 1 21 21 TRP CZ2 C 13 114.4 0.08 . 1 . . . . . . . . 5398 1 218 . 1 1 21 21 TRP N N 15 121.1 0.08 . 1 . . . . . . . . 5398 1 219 . 1 1 21 21 TRP NE1 N 15 131.8 0.08 . 1 . . . . . . . . 5398 1 220 . 1 1 22 22 GLY HA2 H 1 3.287 0.02 . 2 . . . . . . . . 5398 1 221 . 1 1 22 22 GLY HA3 H 1 3.708 0.02 . 2 . . . . . . . . 5398 1 222 . 1 1 22 22 GLY H H 1 7.455 0.02 . 1 . . . . . . . . 5398 1 223 . 1 1 22 22 GLY C C 13 173.0 0.08 . 1 . . . . . . . . 5398 1 224 . 1 1 22 22 GLY CA C 13 45.91 0.08 . 1 . . . . . . . . 5398 1 225 . 1 1 22 22 GLY N N 15 115.7 0.08 . 1 . . . . . . . . 5398 1 226 . 1 1 23 23 VAL HA H 1 4.197 0.02 . 1 . . . . . . . . 5398 1 227 . 1 1 23 23 VAL HB H 1 2.115 0.02 . 1 . . . . . . . . 5398 1 228 . 1 1 23 23 VAL H H 1 7.496 0.02 . 1 . . . . . . . . 5398 1 229 . 1 1 23 23 VAL HG21 H 1 0.9020 0.02 . 2 . . . . . . . . 5398 1 230 . 1 1 23 23 VAL HG22 H 1 0.9020 0.02 . 2 . . . . . . . . 5398 1 231 . 1 1 23 23 VAL HG23 H 1 0.9020 0.02 . 2 . . . . . . . . 5398 1 232 . 1 1 23 23 VAL HG11 H 1 0.6909 0.02 . 2 . . . . . . . . 5398 1 233 . 1 1 23 23 VAL HG12 H 1 0.6909 0.02 . 2 . . . . . . . . 5398 1 234 . 1 1 23 23 VAL HG13 H 1 0.6909 0.02 . 2 . . . . . . . . 5398 1 235 . 1 1 23 23 VAL C C 13 174.8 0.08 . 1 . . . . . . . . 5398 1 236 . 1 1 23 23 VAL CA C 13 59.95 0.08 . 1 . . . . . . . . 5398 1 237 . 1 1 23 23 VAL CB C 13 31.59 0.08 . 1 . . . . . . . . 5398 1 238 . 1 1 23 23 VAL CG1 C 13 20.89 0.08 . 2 . . . . . . . . 5398 1 239 . 1 1 23 23 VAL CG2 C 13 19.90 0.08 . 2 . . . . . . . . 5398 1 240 . 1 1 23 23 VAL N N 15 125.8 0.08 . 1 . . . . . . . . 5398 1 241 . 1 1 24 24 PRO HA H 1 4.662 0.02 . 1 . . . . . . . . 5398 1 242 . 1 1 24 24 PRO HB2 H 1 1.895 0.02 . 1 . . . . . . . . 5398 1 243 . 1 1 24 24 PRO HB3 H 1 1.895 0.02 . 1 . . . . . . . . 5398 1 244 . 1 1 24 24 PRO HD2 H 1 3.587 0.02 . 1 . . . . . . . . 5398 1 245 . 1 1 24 24 PRO HD3 H 1 3.587 0.02 . 1 . . . . . . . . 5398 1 246 . 1 1 24 24 PRO HG2 H 1 2.101 0.02 . 1 . . . . . . . . 5398 1 247 . 1 1 24 24 PRO HG3 H 1 2.101 0.02 . 1 . . . . . . . . 5398 1 248 . 1 1 24 24 PRO C C 13 176.1 0.08 . 1 . . . . . . . . 5398 1 249 . 1 1 24 24 PRO CA C 13 63.90 0.08 . 1 . . . . . . . . 5398 1 250 . 1 1 24 24 PRO CB C 13 31.51 0.08 . 1 . . . . . . . . 5398 1 251 . 1 1 24 24 PRO CD C 13 50.59 0.08 . 1 . . . . . . . . 5398 1 252 . 1 1 24 24 PRO CG C 13 27.63 0.08 . 1 . . . . . . . . 5398 1 253 . 1 1 25 25 GLU HA H 1 4.707 0.02 . 1 . . . . . . . . 5398 1 254 . 1 1 25 25 GLU HB2 H 1 2.101 0.02 . 1 . . . . . . . . 5398 1 255 . 1 1 25 25 GLU HB3 H 1 2.101 0.02 . 1 . . . . . . . . 5398 1 256 . 1 1 25 25 GLU H H 1 8.564 0.02 . 1 . . . . . . . . 5398 1 257 . 1 1 25 25 GLU HG2 H 1 2.403 0.02 . 1 . . . . . . . . 5398 1 258 . 1 1 25 25 GLU HG3 H 1 2.403 0.02 . 1 . . . . . . . . 5398 1 259 . 1 1 25 25 GLU C C 13 175.0 0.08 . 1 . . . . . . . . 5398 1 260 . 1 1 25 25 GLU CA C 13 54.26 0.08 . 1 . . . . . . . . 5398 1 261 . 1 1 25 25 GLU CB C 13 31.64 0.08 . 1 . . . . . . . . 5398 1 262 . 1 1 25 25 GLU CG C 13 38.33 0.08 . 1 . . . . . . . . 5398 1 263 . 1 1 25 25 GLU N N 15 128.5 0.08 . 1 . . . . . . . . 5398 1 264 . 1 1 26 26 THR HA H 1 4.459 0.02 . 1 . . . . . . . . 5398 1 265 . 1 1 26 26 THR HB H 1 4.392 0.02 . 1 . . . . . . . . 5398 1 266 . 1 1 26 26 THR H H 1 8.205 0.02 . 1 . . . . . . . . 5398 1 267 . 1 1 26 26 THR HG21 H 1 0.5354 0.02 . 1 . . . . . . . . 5398 1 268 . 1 1 26 26 THR HG22 H 1 0.5354 0.02 . 1 . . . . . . . . 5398 1 269 . 1 1 26 26 THR HG23 H 1 0.5354 0.02 . 1 . . . . . . . . 5398 1 270 . 1 1 26 26 THR C C 13 173.3 0.08 . 1 . . . . . . . . 5398 1 271 . 1 1 26 26 THR CA C 13 60.55 0.08 . 1 . . . . . . . . 5398 1 272 . 1 1 26 26 THR CB C 13 68.93 0.08 . 1 . . . . . . . . 5398 1 273 . 1 1 26 26 THR CG2 C 13 20.16 0.08 . 1 . . . . . . . . 5398 1 274 . 1 1 26 26 THR N N 15 115.0 0.08 . 1 . . . . . . . . 5398 1 275 . 1 1 27 27 ASP HA H 1 4.947 0.02 . 1 . . . . . . . . 5398 1 276 . 1 1 27 27 ASP HB2 H 1 2.701 0.02 . 2 . . . . . . . . 5398 1 277 . 1 1 27 27 ASP HB3 H 1 3.084 0.02 . 2 . . . . . . . . 5398 1 278 . 1 1 27 27 ASP H H 1 9.487 0.02 . 1 . . . . . . . . 5398 1 279 . 1 1 27 27 ASP C C 13 177.2 0.08 . 1 . . . . . . . . 5398 1 280 . 1 1 27 27 ASP CA C 13 54.11 0.08 . 1 . . . . . . . . 5398 1 281 . 1 1 27 27 ASP CB C 13 42.94 0.08 . 1 . . . . . . . . 5398 1 282 . 1 1 27 27 ASP N N 15 125.5 0.08 . 1 . . . . . . . . 5398 1 283 . 1 1 28 28 SER HA H 1 4.425 0.02 . 1 . . . . . . . . 5398 1 284 . 1 1 28 28 SER HB2 H 1 4.752 0.02 . 1 . . . . . . . . 5398 1 285 . 1 1 28 28 SER HB3 H 1 4.752 0.02 . 1 . . . . . . . . 5398 1 286 . 1 1 28 28 SER H H 1 9.321 0.02 . 1 . . . . . . . . 5398 1 287 . 1 1 28 28 SER C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 288 . 1 1 28 28 SER CA C 13 64.05 0.08 . 1 . . . . . . . . 5398 1 289 . 1 1 28 28 SER CB C 13 65.93 0.08 . 1 . . . . . . . . 5398 1 290 . 1 1 28 28 SER N N 15 124.5 0.08 . 1 . . . . . . . . 5398 1 291 . 1 1 29 29 LYS HA H 1 4.210 0.02 . 1 . . . . . . . . 5398 1 292 . 1 1 29 29 LYS HB2 H 1 2.088 0.02 . 2 . . . . . . . . 5398 1 293 . 1 1 29 29 LYS HB3 H 1 2.170 0.02 . 2 . . . . . . . . 5398 1 294 . 1 1 29 29 LYS HE2 H 1 3.155 0.02 . 1 . . . . . . . . 5398 1 295 . 1 1 29 29 LYS HE3 H 1 3.155 0.02 . 1 . . . . . . . . 5398 1 296 . 1 1 29 29 LYS HD2 H 1 1.909 0.02 . 1 . . . . . . . . 5398 1 297 . 1 1 29 29 LYS HD3 H 1 1.909 0.02 . 1 . . . . . . . . 5398 1 298 . 1 1 29 29 LYS H H 1 8.455 0.02 . 1 . . . . . . . . 5398 1 299 . 1 1 29 29 LYS HG2 H 1 1.428 0.02 . 2 . . . . . . . . 5398 1 300 . 1 1 29 29 LYS HG3 H 1 1.900 0.02 . 2 . . . . . . . . 5398 1 301 . 1 1 29 29 LYS C C 13 180.4 0.08 . 1 . . . . . . . . 5398 1 302 . 1 1 29 29 LYS CA C 13 60.47 0.08 . 1 . . . . . . . . 5398 1 303 . 1 1 29 29 LYS CB C 13 31.52 0.08 . 1 . . . . . . . . 5398 1 304 . 1 1 29 29 LYS CD C 13 29.51 0.08 . 1 . . . . . . . . 5398 1 305 . 1 1 29 29 LYS CE C 13 41.79 0.08 . 1 . . . . . . . . 5398 1 306 . 1 1 29 29 LYS CG C 13 26.25 0.08 . 1 . . . . . . . . 5398 1 307 . 1 1 29 29 LYS N N 15 120.4 0.08 . 1 . . . . . . . . 5398 1 308 . 1 1 30 30 LYS HA H 1 4.310 0.02 . 1 . . . . . . . . 5398 1 309 . 1 1 30 30 LYS HB2 H 1 1.938 0.02 . 1 . . . . . . . . 5398 1 310 . 1 1 30 30 LYS HB3 H 1 1.938 0.02 . 1 . . . . . . . . 5398 1 311 . 1 1 30 30 LYS HE2 H 1 3.045 0.02 . 1 . . . . . . . . 5398 1 312 . 1 1 30 30 LYS HE3 H 1 3.045 0.02 . 1 . . . . . . . . 5398 1 313 . 1 1 30 30 LYS HD2 H 1 1.836 0.02 . 1 . . . . . . . . 5398 1 314 . 1 1 30 30 LYS HD3 H 1 1.836 0.02 . 1 . . . . . . . . 5398 1 315 . 1 1 30 30 LYS H H 1 8.466 0.02 . 1 . . . . . . . . 5398 1 316 . 1 1 30 30 LYS HG2 H 1 1.582 0.02 . 1 . . . . . . . . 5398 1 317 . 1 1 30 30 LYS HG3 H 1 1.582 0.02 . 1 . . . . . . . . 5398 1 318 . 1 1 30 30 LYS C C 13 180.4 0.08 . 1 . . . . . . . . 5398 1 319 . 1 1 30 30 LYS CA C 13 58.97 0.08 . 1 . . . . . . . . 5398 1 320 . 1 1 30 30 LYS CB C 13 31.34 0.08 . 1 . . . . . . . . 5398 1 321 . 1 1 30 30 LYS CD C 13 28.24 0.08 . 1 . . . . . . . . 5398 1 322 . 1 1 30 30 LYS CE C 13 41.83 0.08 . 1 . . . . . . . . 5398 1 323 . 1 1 30 30 LYS CG C 13 25.38 0.08 . 1 . . . . . . . . 5398 1 324 . 1 1 30 30 LYS N N 15 123.1 0.08 . 1 . . . . . . . . 5398 1 325 . 1 1 31 31 LEU HA H 1 4.447 0.02 . 1 . . . . . . . . 5398 1 326 . 1 1 31 31 LEU HB2 H 1 1.825 0.02 . 1 . . . . . . . . 5398 1 327 . 1 1 31 31 LEU HB3 H 1 1.825 0.02 . 1 . . . . . . . . 5398 1 328 . 1 1 31 31 LEU HD11 H 1 1.159 0.02 . 2 . . . . . . . . 5398 1 329 . 1 1 31 31 LEU HD12 H 1 1.159 0.02 . 2 . . . . . . . . 5398 1 330 . 1 1 31 31 LEU HD13 H 1 1.159 0.02 . 2 . . . . . . . . 5398 1 331 . 1 1 31 31 LEU HD21 H 1 1.151 0.02 . 2 . . . . . . . . 5398 1 332 . 1 1 31 31 LEU HD22 H 1 1.151 0.02 . 2 . . . . . . . . 5398 1 333 . 1 1 31 31 LEU HD23 H 1 1.151 0.02 . 2 . . . . . . . . 5398 1 334 . 1 1 31 31 LEU H H 1 8.749 0.02 . 1 . . . . . . . . 5398 1 335 . 1 1 31 31 LEU HG H 1 2.005 0.02 . 1 . . . . . . . . 5398 1 336 . 1 1 31 31 LEU C C 13 178.7 0.08 . 1 . . . . . . . . 5398 1 337 . 1 1 31 31 LEU CA C 13 58.18 0.08 . 1 . . . . . . . . 5398 1 338 . 1 1 31 31 LEU CB C 13 42.47 0.08 . 1 . . . . . . . . 5398 1 339 . 1 1 31 31 LEU CD1 C 13 22.39 0.08 . 2 . . . . . . . . 5398 1 340 . 1 1 31 31 LEU CD2 C 13 26.44 0.08 . 2 . . . . . . . . 5398 1 341 . 1 1 31 31 LEU CG C 13 27.17 0.08 . 1 . . . . . . . . 5398 1 342 . 1 1 31 31 LEU N N 15 120.9 0.08 . 1 . . . . . . . . 5398 1 343 . 1 1 32 32 PHE HA H 1 4.134 0.02 . 1 . . . . . . . . 5398 1 344 . 1 1 32 32 PHE HB2 H 1 3.070 0.02 . 2 . . . . . . . . 5398 1 345 . 1 1 32 32 PHE HB3 H 1 3.289 0.02 . 2 . . . . . . . . 5398 1 346 . 1 1 32 32 PHE HE1 H 1 7.590 0.02 . 1 . . . . . . . . 5398 1 347 . 1 1 32 32 PHE HE2 H 1 7.590 0.02 . 1 . . . . . . . . 5398 1 348 . 1 1 32 32 PHE HD1 H 1 7.052 0.02 . 1 . . . . . . . . 5398 1 349 . 1 1 32 32 PHE HD2 H 1 7.052 0.02 . 1 . . . . . . . . 5398 1 350 . 1 1 32 32 PHE H H 1 8.705 0.02 . 1 . . . . . . . . 5398 1 351 . 1 1 32 32 PHE C C 13 176.6 0.08 . 1 . . . . . . . . 5398 1 352 . 1 1 32 32 PHE CA C 13 60.82 0.08 . 1 . . . . . . . . 5398 1 353 . 1 1 32 32 PHE CB C 13 38.13 0.08 . 1 . . . . . . . . 5398 1 354 . 1 1 32 32 PHE CD1 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 355 . 1 1 32 32 PHE CD2 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 356 . 1 1 32 32 PHE N N 15 121.2 0.08 . 1 . . . . . . . . 5398 1 357 . 1 1 33 33 GLU HA H 1 2.736 0.02 . 1 . . . . . . . . 5398 1 358 . 1 1 33 33 GLU HB2 H 1 2.082 0.02 . 1 . . . . . . . . 5398 1 359 . 1 1 33 33 GLU HB3 H 1 2.082 0.02 . 1 . . . . . . . . 5398 1 360 . 1 1 33 33 GLU H H 1 8.237 0.02 . 1 . . . . . . . . 5398 1 361 . 1 1 33 33 GLU HG2 H 1 1.896 0.02 . 1 . . . . . . . . 5398 1 362 . 1 1 33 33 GLU HG3 H 1 1.896 0.02 . 1 . . . . . . . . 5398 1 363 . 1 1 33 33 GLU C C 13 177.6 0.08 . 1 . . . . . . . . 5398 1 364 . 1 1 33 33 GLU CA C 13 59.11 0.08 . 1 . . . . . . . . 5398 1 365 . 1 1 33 33 GLU CB C 13 32.56 0.08 . 1 . . . . . . . . 5398 1 366 . 1 1 33 33 GLU N N 15 120.8 0.08 . 1 . . . . . . . . 5398 1 367 . 1 1 34 34 MET HA H 1 4.612 0.02 . 1 . . . . . . . . 5398 1 368 . 1 1 34 34 MET HB2 H 1 2.046 0.02 . 2 . . . . . . . . 5398 1 369 . 1 1 34 34 MET HB3 H 1 2.417 0.02 . 2 . . . . . . . . 5398 1 370 . 1 1 34 34 MET HE1 H 1 2.085 0.02 . 1 . . . . . . . . 5398 1 371 . 1 1 34 34 MET HE2 H 1 2.085 0.02 . 1 . . . . . . . . 5398 1 372 . 1 1 34 34 MET HE3 H 1 2.085 0.02 . 1 . . . . . . . . 5398 1 373 . 1 1 34 34 MET H H 1 7.800 0.02 . 1 . . . . . . . . 5398 1 374 . 1 1 34 34 MET HG2 H 1 2.732 0.02 . 1 . . . . . . . . 5398 1 375 . 1 1 34 34 MET HG3 H 1 2.732 0.02 . 1 . . . . . . . . 5398 1 376 . 1 1 34 34 MET C C 13 179.1 0.08 . 1 . . . . . . . . 5398 1 377 . 1 1 34 34 MET CA C 13 56.15 0.08 . 1 . . . . . . . . 5398 1 378 . 1 1 34 34 MET CB C 13 30.07 0.08 . 1 . . . . . . . . 5398 1 379 . 1 1 34 34 MET CE C 13 16.39 0.08 . 1 . . . . . . . . 5398 1 380 . 1 1 34 34 MET CG C 13 32.66 0.08 . 1 . . . . . . . . 5398 1 381 . 1 1 34 34 MET N N 15 114.6 0.08 . 1 . . . . . . . . 5398 1 382 . 1 1 35 35 ILE HA H 1 3.846 0.02 . 1 . . . . . . . . 5398 1 383 . 1 1 35 35 ILE HB H 1 1.106 0.02 . 1 . . . . . . . . 5398 1 384 . 1 1 35 35 ILE HD11 H 1 0.0939 0.02 . 1 . . . . . . . . 5398 1 385 . 1 1 35 35 ILE HD12 H 1 0.0939 0.02 . 1 . . . . . . . . 5398 1 386 . 1 1 35 35 ILE HD13 H 1 0.0939 0.02 . 1 . . . . . . . . 5398 1 387 . 1 1 35 35 ILE H H 1 8.885 0.02 . 1 . . . . . . . . 5398 1 388 . 1 1 35 35 ILE HG12 H 1 0.7771 0.02 . 2 . . . . . . . . 5398 1 389 . 1 1 35 35 ILE HG13 H 1 0.9031 0.02 . 2 . . . . . . . . 5398 1 390 . 1 1 35 35 ILE HG21 H 1 1.121 0.02 . 1 . . . . . . . . 5398 1 391 . 1 1 35 35 ILE HG22 H 1 1.121 0.02 . 1 . . . . . . . . 5398 1 392 . 1 1 35 35 ILE HG23 H 1 1.121 0.02 . 1 . . . . . . . . 5398 1 393 . 1 1 35 35 ILE C C 13 178.3 0.08 . 1 . . . . . . . . 5398 1 394 . 1 1 35 35 ILE CA C 13 62.02 0.08 . 1 . . . . . . . . 5398 1 395 . 1 1 35 35 ILE CB C 13 36.05 0.08 . 1 . . . . . . . . 5398 1 396 . 1 1 35 35 ILE CD1 C 13 12.36 0.08 . 1 . . . . . . . . 5398 1 397 . 1 1 35 35 ILE CG1 C 13 30.04 0.08 . 2 . . . . . . . . 5398 1 398 . 1 1 35 35 ILE CG2 C 13 18.48 0.08 . 2 . . . . . . . . 5398 1 399 . 1 1 35 35 ILE N N 15 122.3 0.08 . 1 . . . . . . . . 5398 1 400 . 1 1 36 36 CYS HA H 1 4.008 0.02 . 1 . . . . . . . . 5398 1 401 . 1 1 36 36 CYS HB2 H 1 3.301 0.02 . 1 . . . . . . . . 5398 1 402 . 1 1 36 36 CYS HB3 H 1 3.301 0.02 . 1 . . . . . . . . 5398 1 403 . 1 1 36 36 CYS H H 1 7.253 0.02 . 1 . . . . . . . . 5398 1 404 . 1 1 36 36 CYS C C 13 177.6 0.08 . 1 . . . . . . . . 5398 1 405 . 1 1 36 36 CYS CA C 13 63.69 0.08 . 1 . . . . . . . . 5398 1 406 . 1 1 36 36 CYS CB C 13 26.78 0.08 . 1 . . . . . . . . 5398 1 407 . 1 1 36 36 CYS N N 15 121.0 0.08 . 1 . . . . . . . . 5398 1 408 . 1 1 37 37 LEU HA H 1 3.477 0.02 . 1 . . . . . . . . 5398 1 409 . 1 1 37 37 LEU HB2 H 1 1.987 0.02 . 1 . . . . . . . . 5398 1 410 . 1 1 37 37 LEU HB3 H 1 1.987 0.02 . 1 . . . . . . . . 5398 1 411 . 1 1 37 37 LEU HD11 H 1 0.04946 0.02 . 2 . . . . . . . . 5398 1 412 . 1 1 37 37 LEU HD12 H 1 0.04946 0.02 . 2 . . . . . . . . 5398 1 413 . 1 1 37 37 LEU HD13 H 1 0.04946 0.02 . 2 . . . . . . . . 5398 1 414 . 1 1 37 37 LEU HD21 H 1 0.7141 0.02 . 2 . . . . . . . . 5398 1 415 . 1 1 37 37 LEU HD22 H 1 0.7141 0.02 . 2 . . . . . . . . 5398 1 416 . 1 1 37 37 LEU HD23 H 1 0.7141 0.02 . 2 . . . . . . . . 5398 1 417 . 1 1 37 37 LEU H H 1 8.707 0.02 . 1 . . . . . . . . 5398 1 418 . 1 1 37 37 LEU HG H 1 1.389 0.02 . 1 . . . . . . . . 5398 1 419 . 1 1 37 37 LEU C C 13 179.3 0.08 . 1 . . . . . . . . 5398 1 420 . 1 1 37 37 LEU CA C 13 58.14 0.08 . 1 . . . . . . . . 5398 1 421 . 1 1 37 37 LEU CB C 13 40.57 0.08 . 1 . . . . . . . . 5398 1 422 . 1 1 37 37 LEU CD1 C 13 21.14 0.08 . 2 . . . . . . . . 5398 1 423 . 1 1 37 37 LEU CD2 C 13 26.81 0.08 . 2 . . . . . . . . 5398 1 424 . 1 1 37 37 LEU CG C 13 25.38 0.08 . 1 . . . . . . . . 5398 1 425 . 1 1 37 37 LEU N N 15 120.1 0.08 . 1 . . . . . . . . 5398 1 426 . 1 1 38 38 GLU HA H 1 4.309 0.02 . 1 . . . . . . . . 5398 1 427 . 1 1 38 38 GLU HB2 H 1 1.895 0.02 . 1 . . . . . . . . 5398 1 428 . 1 1 38 38 GLU HB3 H 1 1.895 0.02 . 1 . . . . . . . . 5398 1 429 . 1 1 38 38 GLU H H 1 8.764 0.02 . 1 . . . . . . . . 5398 1 430 . 1 1 38 38 GLU HG2 H 1 2.710 0.02 . 1 . . . . . . . . 5398 1 431 . 1 1 38 38 GLU HG3 H 1 2.710 0.02 . 1 . . . . . . . . 5398 1 432 . 1 1 38 38 GLU C C 13 179.7 0.08 . 1 . . . . . . . . 5398 1 433 . 1 1 38 38 GLU CA C 13 58.17 0.08 . 1 . . . . . . . . 5398 1 434 . 1 1 38 38 GLU CB C 13 26.38 0.08 . 1 . . . . . . . . 5398 1 435 . 1 1 38 38 GLU N N 15 115.9 0.08 . 1 . . . . . . . . 5398 1 436 . 1 1 39 39 GLY HA2 H 1 4.097 0.02 . 2 . . . . . . . . 5398 1 437 . 1 1 39 39 GLY HA3 H 1 4.374 0.02 . 2 . . . . . . . . 5398 1 438 . 1 1 39 39 GLY H H 1 7.530 0.02 . 1 . . . . . . . . 5398 1 439 . 1 1 39 39 GLY C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 440 . 1 1 39 39 GLY CA C 13 47.99 0.08 . 1 . . . . . . . . 5398 1 441 . 1 1 39 39 GLY N N 15 107.1 0.08 . 1 . . . . . . . . 5398 1 442 . 1 1 40 40 GLN HA H 1 3.499 0.02 . 1 . . . . . . . . 5398 1 443 . 1 1 40 40 GLN HB2 H 1 2.010 0.02 . 1 . . . . . . . . 5398 1 444 . 1 1 40 40 GLN HB3 H 1 2.010 0.02 . 1 . . . . . . . . 5398 1 445 . 1 1 40 40 GLN H H 1 7.536 0.02 . 1 . . . . . . . . 5398 1 446 . 1 1 40 40 GLN C C 13 177.5 0.08 . 1 . . . . . . . . 5398 1 447 . 1 1 40 40 GLN CA C 13 56.18 0.08 . 1 . . . . . . . . 5398 1 448 . 1 1 40 40 GLN CB C 13 27.62 0.08 . 1 . . . . . . . . 5398 1 449 . 1 1 40 40 GLN N N 15 114.6 0.08 . 1 . . . . . . . . 5398 1 450 . 1 1 41 41 GLN HA H 1 3.943 0.02 . 1 . . . . . . . . 5398 1 451 . 1 1 41 41 GLN HB2 H 1 2.014 0.02 . 2 . . . . . . . . 5398 1 452 . 1 1 41 41 GLN HB3 H 1 2.324 0.02 . 2 . . . . . . . . 5398 1 453 . 1 1 41 41 GLN H H 1 7.419 0.02 . 1 . . . . . . . . 5398 1 454 . 1 1 41 41 GLN HG2 H 1 2.759 0.02 . 1 . . . . . . . . 5398 1 455 . 1 1 41 41 GLN HG3 H 1 2.759 0.02 . 1 . . . . . . . . 5398 1 456 . 1 1 41 41 GLN C C 13 174.6 0.08 . 1 . . . . . . . . 5398 1 457 . 1 1 41 41 GLN CA C 13 55.22 0.08 . 1 . . . . . . . . 5398 1 458 . 1 1 41 41 GLN CB C 13 29.01 0.08 . 1 . . . . . . . . 5398 1 459 . 1 1 41 41 GLN CG C 13 32.91 0.08 . 1 . . . . . . . . 5398 1 460 . 1 1 41 41 GLN N N 15 114.4 0.08 . 1 . . . . . . . . 5398 1 461 . 1 1 42 42 ALA HA H 1 4.124 0.02 . 1 . . . . . . . . 5398 1 462 . 1 1 42 42 ALA HB1 H 1 1.532 0.02 . 1 . . . . . . . . 5398 1 463 . 1 1 42 42 ALA HB2 H 1 1.532 0.02 . 1 . . . . . . . . 5398 1 464 . 1 1 42 42 ALA HB3 H 1 1.532 0.02 . 1 . . . . . . . . 5398 1 465 . 1 1 42 42 ALA H H 1 7.174 0.02 . 1 . . . . . . . . 5398 1 466 . 1 1 42 42 ALA C C 13 179.2 0.08 . 1 . . . . . . . . 5398 1 467 . 1 1 42 42 ALA CA C 13 54.03 0.08 . 1 . . . . . . . . 5398 1 468 . 1 1 42 42 ALA CB C 13 18.14 0.08 . 1 . . . . . . . . 5398 1 469 . 1 1 42 42 ALA N N 15 122.2 0.08 . 1 . . . . . . . . 5398 1 470 . 1 1 43 43 GLY HA2 H 1 3.773 0.02 . 2 . . . . . . . . 5398 1 471 . 1 1 43 43 GLY HA3 H 1 4.235 0.02 . 2 . . . . . . . . 5398 1 472 . 1 1 43 43 GLY H H 1 9.053 0.02 . 1 . . . . . . . . 5398 1 473 . 1 1 43 43 GLY C C 13 173.6 0.08 . 1 . . . . . . . . 5398 1 474 . 1 1 43 43 GLY CA C 13 45.44 0.08 . 1 . . . . . . . . 5398 1 475 . 1 1 43 43 GLY N N 15 114.9 0.08 . 1 . . . . . . . . 5398 1 476 . 1 1 44 44 LEU HA H 1 4.791 0.02 . 1 . . . . . . . . 5398 1 477 . 1 1 44 44 LEU HB2 H 1 1.582 0.02 . 2 . . . . . . . . 5398 1 478 . 1 1 44 44 LEU HB3 H 1 1.689 0.02 . 2 . . . . . . . . 5398 1 479 . 1 1 44 44 LEU HD11 H 1 0.9247 0.02 . 2 . . . . . . . . 5398 1 480 . 1 1 44 44 LEU HD12 H 1 0.9247 0.02 . 2 . . . . . . . . 5398 1 481 . 1 1 44 44 LEU HD13 H 1 0.9247 0.02 . 2 . . . . . . . . 5398 1 482 . 1 1 44 44 LEU HD21 H 1 0.9282 0.02 . 2 . . . . . . . . 5398 1 483 . 1 1 44 44 LEU HD22 H 1 0.9282 0.02 . 2 . . . . . . . . 5398 1 484 . 1 1 44 44 LEU HD23 H 1 0.9282 0.02 . 2 . . . . . . . . 5398 1 485 . 1 1 44 44 LEU H H 1 8.780 0.02 . 1 . . . . . . . . 5398 1 486 . 1 1 44 44 LEU HG H 1 1.401 0.02 . 1 . . . . . . . . 5398 1 487 . 1 1 44 44 LEU C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 488 . 1 1 44 44 LEU CA C 13 53.16 0.08 . 1 . . . . . . . . 5398 1 489 . 1 1 44 44 LEU CB C 13 42.66 0.08 . 1 . . . . . . . . 5398 1 490 . 1 1 44 44 LEU CD1 C 13 26.38 0.08 . 2 . . . . . . . . 5398 1 491 . 1 1 44 44 LEU CD2 C 13 22.62 0.08 . 2 . . . . . . . . 5398 1 492 . 1 1 44 44 LEU CG C 13 26.34 0.08 . 1 . . . . . . . . 5398 1 493 . 1 1 44 44 LEU N N 15 123.1 0.08 . 1 . . . . . . . . 5398 1 494 . 1 1 45 45 SER HA H 1 4.885 0.02 . 1 . . . . . . . . 5398 1 495 . 1 1 45 45 SER HB2 H 1 4.045 0.02 . 1 . . . . . . . . 5398 1 496 . 1 1 45 45 SER HB3 H 1 4.045 0.02 . 1 . . . . . . . . 5398 1 497 . 1 1 45 45 SER H H 1 7.693 0.02 . 1 . . . . . . . . 5398 1 498 . 1 1 45 45 SER C C 13 174.8 0.08 . 1 . . . . . . . . 5398 1 499 . 1 1 45 45 SER CA C 13 56.80 0.08 . 1 . . . . . . . . 5398 1 500 . 1 1 45 45 SER CB C 13 64.65 0.08 . 1 . . . . . . . . 5398 1 501 . 1 1 45 45 SER N N 15 114.5 0.08 . 1 . . . . . . . . 5398 1 502 . 1 1 46 46 TRP HD1 H 1 6.848 0.02 . 1 . . . . . . . . 5398 1 503 . 1 1 46 46 TRP HZ2 H 1 6.821 0.02 . 1 . . . . . . . . 5398 1 504 . 1 1 46 46 TRP HA H 1 4.476 0.02 . 1 . . . . . . . . 5398 1 505 . 1 1 46 46 TRP HB2 H 1 3.048 0.02 . 2 . . . . . . . . 5398 1 506 . 1 1 46 46 TRP HB3 H 1 3.502 0.02 . 2 . . . . . . . . 5398 1 507 . 1 1 46 46 TRP H H 1 9.232 0.02 . 1 . . . . . . . . 5398 1 508 . 1 1 46 46 TRP C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 509 . 1 1 46 46 TRP CA C 13 59.07 0.08 . 1 . . . . . . . . 5398 1 510 . 1 1 46 46 TRP CB C 13 29.40 0.08 . 1 . . . . . . . . 5398 1 511 . 1 1 46 46 TRP CD1 C 13 124.6 0.08 . 1 . . . . . . . . 5398 1 512 . 1 1 46 46 TRP CZ2 C 13 112.5 0.08 . 1 . . . . . . . . 5398 1 513 . 1 1 46 46 TRP N N 15 124.5 0.08 . 1 . . . . . . . . 5398 1 514 . 1 1 47 47 ILE HA H 1 3.399 0.02 . 1 . . . . . . . . 5398 1 515 . 1 1 47 47 ILE HB H 1 1.448 0.02 . 1 . . . . . . . . 5398 1 516 . 1 1 47 47 ILE HD11 H 1 0.4366 0.02 . 1 . . . . . . . . 5398 1 517 . 1 1 47 47 ILE HD12 H 1 0.4366 0.02 . 1 . . . . . . . . 5398 1 518 . 1 1 47 47 ILE HD13 H 1 0.4366 0.02 . 1 . . . . . . . . 5398 1 519 . 1 1 47 47 ILE H H 1 8.241 0.02 . 1 . . . . . . . . 5398 1 520 . 1 1 47 47 ILE HG12 H 1 0.9212 0.02 . 2 . . . . . . . . 5398 1 521 . 1 1 47 47 ILE HG13 H 1 1.156 0.02 . 2 . . . . . . . . 5398 1 522 . 1 1 47 47 ILE HG21 H 1 0.8301 0.02 . 1 . . . . . . . . 5398 1 523 . 1 1 47 47 ILE HG22 H 1 0.8301 0.02 . 1 . . . . . . . . 5398 1 524 . 1 1 47 47 ILE HG23 H 1 0.8301 0.02 . 1 . . . . . . . . 5398 1 525 . 1 1 47 47 ILE C C 13 174.6 0.08 . 1 . . . . . . . . 5398 1 526 . 1 1 47 47 ILE CA C 13 60.91 0.08 . 1 . . . . . . . . 5398 1 527 . 1 1 47 47 ILE CB C 13 36.77 0.08 . 1 . . . . . . . . 5398 1 528 . 1 1 47 47 ILE CD1 C 13 13.88 0.08 . 1 . . . . . . . . 5398 1 529 . 1 1 47 47 ILE CG1 C 13 28.46 0.08 . 2 . . . . . . . . 5398 1 530 . 1 1 47 47 ILE CG2 C 13 17.66 0.08 . 2 . . . . . . . . 5398 1 531 . 1 1 47 47 ILE N N 15 116.9 0.08 . 1 . . . . . . . . 5398 1 532 . 1 1 48 48 THR HA H 1 3.697 0.02 . 1 . . . . . . . . 5398 1 533 . 1 1 48 48 THR HB H 1 4.134 0.02 . 1 . . . . . . . . 5398 1 534 . 1 1 48 48 THR H H 1 6.926 0.02 . 1 . . . . . . . . 5398 1 535 . 1 1 48 48 THR HG21 H 1 1.179 0.02 . 1 . . . . . . . . 5398 1 536 . 1 1 48 48 THR HG22 H 1 1.179 0.02 . 1 . . . . . . . . 5398 1 537 . 1 1 48 48 THR HG23 H 1 1.179 0.02 . 1 . . . . . . . . 5398 1 538 . 1 1 48 48 THR C C 13 175.6 0.08 . 1 . . . . . . . . 5398 1 539 . 1 1 48 48 THR CA C 13 65.62 0.08 . 1 . . . . . . . . 5398 1 540 . 1 1 48 48 THR CB C 13 68.43 0.08 . 1 . . . . . . . . 5398 1 541 . 1 1 48 48 THR CG2 C 13 21.58 0.08 . 1 . . . . . . . . 5398 1 542 . 1 1 48 48 THR N N 15 117.2 0.08 . 1 . . . . . . . . 5398 1 543 . 1 1 49 49 VAL HA H 1 3.268 0.02 . 1 . . . . . . . . 5398 1 544 . 1 1 49 49 VAL HB H 1 1.388 0.02 . 1 . . . . . . . . 5398 1 545 . 1 1 49 49 VAL H H 1 6.695 0.02 . 1 . . . . . . . . 5398 1 546 . 1 1 49 49 VAL HG11 H 1 0.3911 0.02 . 2 . . . . . . . . 5398 1 547 . 1 1 49 49 VAL HG12 H 1 0.3911 0.02 . 2 . . . . . . . . 5398 1 548 . 1 1 49 49 VAL HG13 H 1 0.3911 0.02 . 2 . . . . . . . . 5398 1 549 . 1 1 49 49 VAL HG21 H 1 0.6553 0.02 . 2 . . . . . . . . 5398 1 550 . 1 1 49 49 VAL HG22 H 1 0.6553 0.02 . 2 . . . . . . . . 5398 1 551 . 1 1 49 49 VAL HG23 H 1 0.6553 0.02 . 2 . . . . . . . . 5398 1 552 . 1 1 49 49 VAL C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 553 . 1 1 49 49 VAL CA C 13 65.45 0.08 . 1 . . . . . . . . 5398 1 554 . 1 1 49 49 VAL CB C 13 31.09 0.08 . 1 . . . . . . . . 5398 1 555 . 1 1 49 49 VAL CG1 C 13 21.81 0.08 . 2 . . . . . . . . 5398 1 556 . 1 1 49 49 VAL CG2 C 13 21.69 0.08 . 2 . . . . . . . . 5398 1 557 . 1 1 49 49 VAL N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 558 . 1 1 50 50 LEU HA H 1 3.191 0.02 . 1 . . . . . . . . 5398 1 559 . 1 1 50 50 LEU HB2 H 1 0.1231 0.02 . 2 . . . . . . . . 5398 1 560 . 1 1 50 50 LEU HB3 H 1 1.084 0.02 . 2 . . . . . . . . 5398 1 561 . 1 1 50 50 LEU HD11 H 1 0.4918 0.02 . 2 . . . . . . . . 5398 1 562 . 1 1 50 50 LEU HD12 H 1 0.4918 0.02 . 2 . . . . . . . . 5398 1 563 . 1 1 50 50 LEU HD13 H 1 0.4918 0.02 . 2 . . . . . . . . 5398 1 564 . 1 1 50 50 LEU HD21 H 1 0.5642 0.02 . 2 . . . . . . . . 5398 1 565 . 1 1 50 50 LEU HD22 H 1 0.5642 0.02 . 2 . . . . . . . . 5398 1 566 . 1 1 50 50 LEU HD23 H 1 0.5642 0.02 . 2 . . . . . . . . 5398 1 567 . 1 1 50 50 LEU H H 1 7.961 0.02 . 1 . . . . . . . . 5398 1 568 . 1 1 50 50 LEU HG H 1 1.125 0.02 . 1 . . . . . . . . 5398 1 569 . 1 1 50 50 LEU C C 13 180.3 0.08 . 1 . . . . . . . . 5398 1 570 . 1 1 50 50 LEU CA C 13 57.41 0.08 . 1 . . . . . . . . 5398 1 571 . 1 1 50 50 LEU CB C 13 40.29 0.08 . 1 . . . . . . . . 5398 1 572 . 1 1 50 50 LEU CD1 C 13 24.91 0.08 . 2 . . . . . . . . 5398 1 573 . 1 1 50 50 LEU CD2 C 13 21.38 0.08 . 2 . . . . . . . . 5398 1 574 . 1 1 50 50 LEU CG C 13 25.94 0.08 . 1 . . . . . . . . 5398 1 575 . 1 1 50 50 LEU N N 15 120.8 0.08 . 1 . . . . . . . . 5398 1 576 . 1 1 51 51 LYS HA H 1 3.815 0.02 . 1 . . . . . . . . 5398 1 577 . 1 1 51 51 LYS HB2 H 1 1.774 0.02 . 1 . . . . . . . . 5398 1 578 . 1 1 51 51 LYS HB3 H 1 1.774 0.02 . 1 . . . . . . . . 5398 1 579 . 1 1 51 51 LYS HE2 H 1 2.822 0.02 . 1 . . . . . . . . 5398 1 580 . 1 1 51 51 LYS HE3 H 1 2.822 0.02 . 1 . . . . . . . . 5398 1 581 . 1 1 51 51 LYS HD2 H 1 1.583 0.02 . 1 . . . . . . . . 5398 1 582 . 1 1 51 51 LYS HD3 H 1 1.583 0.02 . 1 . . . . . . . . 5398 1 583 . 1 1 51 51 LYS H H 1 8.008 0.02 . 1 . . . . . . . . 5398 1 584 . 1 1 51 51 LYS HG2 H 1 1.315 0.02 . 2 . . . . . . . . 5398 1 585 . 1 1 51 51 LYS HG3 H 1 1.503 0.02 . 2 . . . . . . . . 5398 1 586 . 1 1 51 51 LYS C C 13 177.9 0.08 . 1 . . . . . . . . 5398 1 587 . 1 1 51 51 LYS CA C 13 58.94 0.08 . 1 . . . . . . . . 5398 1 588 . 1 1 51 51 LYS CB C 13 32.36 0.08 . 1 . . . . . . . . 5398 1 589 . 1 1 51 51 LYS CD C 13 29.06 0.08 . 1 . . . . . . . . 5398 1 590 . 1 1 51 51 LYS CE C 13 41.56 0.08 . 1 . . . . . . . . 5398 1 591 . 1 1 51 51 LYS CG C 13 26.37 0.08 . 1 . . . . . . . . 5398 1 592 . 1 1 51 51 LYS N N 15 116.2 0.08 . 1 . . . . . . . . 5398 1 593 . 1 1 52 52 LYS HA H 1 4.611 0.02 . 1 . . . . . . . . 5398 1 594 . 1 1 52 52 LYS HB2 H 1 1.746 0.02 . 1 . . . . . . . . 5398 1 595 . 1 1 52 52 LYS HB3 H 1 1.746 0.02 . 1 . . . . . . . . 5398 1 596 . 1 1 52 52 LYS HE2 H 1 2.721 0.02 . 2 . . . . . . . . 5398 1 597 . 1 1 52 52 LYS H H 1 7.292 0.02 . 1 . . . . . . . . 5398 1 598 . 1 1 52 52 LYS C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 599 . 1 1 52 52 LYS CA C 13 56.00 0.08 . 1 . . . . . . . . 5398 1 600 . 1 1 52 52 LYS CB C 13 34.31 0.08 . 1 . . . . . . . . 5398 1 601 . 1 1 52 52 LYS N N 15 118.0 0.08 . 1 . . . . . . . . 5398 1 602 . 1 1 53 53 ARG HA H 1 3.944 0.02 . 1 . . . . . . . . 5398 1 603 . 1 1 53 53 ARG HB2 H 1 1.688 0.02 . 1 . . . . . . . . 5398 1 604 . 1 1 53 53 ARG HB3 H 1 1.688 0.02 . 1 . . . . . . . . 5398 1 605 . 1 1 53 53 ARG HE H 1 7.662 0.02 . 1 . . . . . . . . 5398 1 606 . 1 1 53 53 ARG H H 1 7.771 0.02 . 1 . . . . . . . . 5398 1 607 . 1 1 53 53 ARG C C 13 177.5 0.08 . 1 . . . . . . . . 5398 1 608 . 1 1 53 53 ARG CA C 13 61.89 0.08 . 1 . . . . . . . . 5398 1 609 . 1 1 53 53 ARG CB C 13 31.27 0.08 . 1 . . . . . . . . 5398 1 610 . 1 1 53 53 ARG N N 15 124.0 0.08 . 1 . . . . . . . . 5398 1 611 . 1 1 53 53 ARG NE N 15 81.63 0.08 . 1 . . . . . . . . 5398 1 612 . 1 1 54 54 GLU HA H 1 4.173 0.02 . 1 . . . . . . . . 5398 1 613 . 1 1 54 54 GLU HB2 H 1 2.034 0.02 . 2 . . . . . . . . 5398 1 614 . 1 1 54 54 GLU HB3 H 1 2.113 0.02 . 2 . . . . . . . . 5398 1 615 . 1 1 54 54 GLU H H 1 8.727 0.02 . 1 . . . . . . . . 5398 1 616 . 1 1 54 54 GLU HG2 H 1 2.343 0.02 . 2 . . . . . . . . 5398 1 617 . 1 1 54 54 GLU HG3 H 1 2.443 0.02 . 2 . . . . . . . . 5398 1 618 . 1 1 54 54 GLU C C 13 179.5 0.08 . 1 . . . . . . . . 5398 1 619 . 1 1 54 54 GLU CA C 13 59.06 0.08 . 1 . . . . . . . . 5398 1 620 . 1 1 54 54 GLU CB C 13 27.87 0.08 . 1 . . . . . . . . 5398 1 621 . 1 1 54 54 GLU CG C 13 35.86 0.08 . 1 . . . . . . . . 5398 1 622 . 1 1 54 54 GLU N N 15 116.9 0.08 . 1 . . . . . . . . 5398 1 623 . 1 1 55 55 ASN HA H 1 4.468 0.02 . 1 . . . . . . . . 5398 1 624 . 1 1 55 55 ASN HB2 H 1 2.661 0.02 . 2 . . . . . . . . 5398 1 625 . 1 1 55 55 ASN HB3 H 1 2.971 0.02 . 2 . . . . . . . . 5398 1 626 . 1 1 55 55 ASN H H 1 7.743 0.02 . 1 . . . . . . . . 5398 1 627 . 1 1 55 55 ASN C C 13 178.3 0.08 . 1 . . . . . . . . 5398 1 628 . 1 1 55 55 ASN CA C 13 55.38 0.08 . 1 . . . . . . . . 5398 1 629 . 1 1 55 55 ASN CB C 13 36.64 0.08 . 1 . . . . . . . . 5398 1 630 . 1 1 55 55 ASN N N 15 120.9 0.08 . 1 . . . . . . . . 5398 1 631 . 1 1 56 56 TYR HA H 1 3.957 0.02 . 1 . . . . . . . . 5398 1 632 . 1 1 56 56 TYR HB2 H 1 3.257 0.02 . 2 . . . . . . . . 5398 1 633 . 1 1 56 56 TYR HB3 H 1 3.405 0.02 . 2 . . . . . . . . 5398 1 634 . 1 1 56 56 TYR HE1 H 1 6.662 0.02 . 1 . . . . . . . . 5398 1 635 . 1 1 56 56 TYR HE2 H 1 6.662 0.02 . 1 . . . . . . . . 5398 1 636 . 1 1 56 56 TYR HD1 H 1 7.157 0.02 . 1 . . . . . . . . 5398 1 637 . 1 1 56 56 TYR HD2 H 1 7.157 0.02 . 1 . . . . . . . . 5398 1 638 . 1 1 56 56 TYR H H 1 8.632 0.02 . 1 . . . . . . . . 5398 1 639 . 1 1 56 56 TYR C C 13 178.3 0.08 . 1 . . . . . . . . 5398 1 640 . 1 1 56 56 TYR CA C 13 64.28 0.08 . 1 . . . . . . . . 5398 1 641 . 1 1 56 56 TYR CB C 13 38.38 0.08 . 1 . . . . . . . . 5398 1 642 . 1 1 56 56 TYR CD1 C 13 132.3 0.08 . 1 . . . . . . . . 5398 1 643 . 1 1 56 56 TYR CD2 C 13 132.3 0.08 . 1 . . . . . . . . 5398 1 644 . 1 1 56 56 TYR CE1 C 13 117.1 0.08 . 1 . . . . . . . . 5398 1 645 . 1 1 56 56 TYR CE2 C 13 117.1 0.08 . 1 . . . . . . . . 5398 1 646 . 1 1 56 56 TYR N N 15 119.1 0.08 . 1 . . . . . . . . 5398 1 647 . 1 1 57 57 ARG HA H 1 3.742 0.02 . 1 . . . . . . . . 5398 1 648 . 1 1 57 57 ARG HB2 H 1 2.088 0.02 . 1 . . . . . . . . 5398 1 649 . 1 1 57 57 ARG HB3 H 1 2.088 0.02 . 1 . . . . . . . . 5398 1 650 . 1 1 57 57 ARG HE H 1 8.998 0.02 . 1 . . . . . . . . 5398 1 651 . 1 1 57 57 ARG HD2 H 1 3.099 0.02 . 1 . . . . . . . . 5398 1 652 . 1 1 57 57 ARG HD3 H 1 3.099 0.02 . 1 . . . . . . . . 5398 1 653 . 1 1 57 57 ARG H H 1 8.588 0.02 . 1 . . . . . . . . 5398 1 654 . 1 1 57 57 ARG HG2 H 1 1.920 0.02 . 1 . . . . . . . . 5398 1 655 . 1 1 57 57 ARG HG3 H 1 1.920 0.02 . 1 . . . . . . . . 5398 1 656 . 1 1 57 57 ARG C C 13 177.3 0.08 . 1 . . . . . . . . 5398 1 657 . 1 1 57 57 ARG CA C 13 60.72 0.08 . 1 . . . . . . . . 5398 1 658 . 1 1 57 57 ARG CB C 13 29.71 0.08 . 1 . . . . . . . . 5398 1 659 . 1 1 57 57 ARG N N 15 117.5 0.08 . 1 . . . . . . . . 5398 1 660 . 1 1 57 57 ARG NE N 15 85.95 0.08 . 1 . . . . . . . . 5398 1 661 . 1 1 58 58 ALA HA H 1 4.150 0.02 . 1 . . . . . . . . 5398 1 662 . 1 1 58 58 ALA HB1 H 1 1.515 0.02 . 1 . . . . . . . . 5398 1 663 . 1 1 58 58 ALA HB2 H 1 1.515 0.02 . 1 . . . . . . . . 5398 1 664 . 1 1 58 58 ALA HB3 H 1 1.515 0.02 . 1 . . . . . . . . 5398 1 665 . 1 1 58 58 ALA H H 1 7.742 0.02 . 1 . . . . . . . . 5398 1 666 . 1 1 58 58 ALA C C 13 180.6 0.08 . 1 . . . . . . . . 5398 1 667 . 1 1 58 58 ALA CA C 13 54.30 0.08 . 1 . . . . . . . . 5398 1 668 . 1 1 58 58 ALA CB C 13 18.17 0.08 . 1 . . . . . . . . 5398 1 669 . 1 1 58 58 ALA N N 15 119.0 0.08 . 1 . . . . . . . . 5398 1 670 . 1 1 59 59 CYS HA H 1 3.902 0.02 . 1 . . . . . . . . 5398 1 671 . 1 1 59 59 CYS HB2 H 1 2.116 0.02 . 2 . . . . . . . . 5398 1 672 . 1 1 59 59 CYS HB3 H 1 2.458 0.02 . 2 . . . . . . . . 5398 1 673 . 1 1 59 59 CYS H H 1 8.028 0.02 . 1 . . . . . . . . 5398 1 674 . 1 1 59 59 CYS C C 13 174.1 0.08 . 1 . . . . . . . . 5398 1 675 . 1 1 59 59 CYS CA C 13 62.00 0.08 . 1 . . . . . . . . 5398 1 676 . 1 1 59 59 CYS CB C 13 28.24 0.08 . 1 . . . . . . . . 5398 1 677 . 1 1 59 59 CYS N N 15 115.8 0.08 . 1 . . . . . . . . 5398 1 678 . 1 1 60 60 PHE HZ H 1 7.177 0.02 . 1 . . . . . . . . 5398 1 679 . 1 1 60 60 PHE HA H 1 4.315 0.02 . 1 . . . . . . . . 5398 1 680 . 1 1 60 60 PHE HB2 H 1 2.672 0.02 . 1 . . . . . . . . 5398 1 681 . 1 1 60 60 PHE HB3 H 1 2.672 0.02 . 1 . . . . . . . . 5398 1 682 . 1 1 60 60 PHE HE1 H 1 7.099 0.02 . 1 . . . . . . . . 5398 1 683 . 1 1 60 60 PHE HE2 H 1 7.099 0.02 . 1 . . . . . . . . 5398 1 684 . 1 1 60 60 PHE HD1 H 1 7.395 0.02 . 1 . . . . . . . . 5398 1 685 . 1 1 60 60 PHE HD2 H 1 7.395 0.02 . 1 . . . . . . . . 5398 1 686 . 1 1 60 60 PHE H H 1 7.578 0.02 . 1 . . . . . . . . 5398 1 687 . 1 1 60 60 PHE C C 13 175.1 0.08 . 1 . . . . . . . . 5398 1 688 . 1 1 60 60 PHE CA C 13 56.59 0.08 . 1 . . . . . . . . 5398 1 689 . 1 1 60 60 PHE CB C 13 35.44 0.08 . 1 . . . . . . . . 5398 1 690 . 1 1 60 60 PHE CD1 C 13 131.9 0.08 . 1 . . . . . . . . 5398 1 691 . 1 1 60 60 PHE CD2 C 13 131.9 0.08 . 1 . . . . . . . . 5398 1 692 . 1 1 60 60 PHE N N 15 113.9 0.08 . 1 . . . . . . . . 5398 1 693 . 1 1 61 61 HIS HA H 1 4.169 0.02 . 1 . . . . . . . . 5398 1 694 . 1 1 61 61 HIS HB2 H 1 2.954 0.02 . 2 . . . . . . . . 5398 1 695 . 1 1 61 61 HIS HB3 H 1 3.121 0.02 . 2 . . . . . . . . 5398 1 696 . 1 1 61 61 HIS H H 1 7.435 0.02 . 1 . . . . . . . . 5398 1 697 . 1 1 61 61 HIS C C 13 176.1 0.08 . 1 . . . . . . . . 5398 1 698 . 1 1 61 61 HIS CA C 13 56.84 0.08 . 1 . . . . . . . . 5398 1 699 . 1 1 61 61 HIS CB C 13 28.19 0.08 . 1 . . . . . . . . 5398 1 700 . 1 1 61 61 HIS N N 15 114.9 0.08 . 1 . . . . . . . . 5398 1 701 . 1 1 62 62 GLN HA H 1 3.562 0.02 . 1 . . . . . . . . 5398 1 702 . 1 1 62 62 GLN HB2 H 1 2.407 0.02 . 1 . . . . . . . . 5398 1 703 . 1 1 62 62 GLN HB3 H 1 2.407 0.02 . 1 . . . . . . . . 5398 1 704 . 1 1 62 62 GLN H H 1 9.502 0.02 . 1 . . . . . . . . 5398 1 705 . 1 1 62 62 GLN HG2 H 1 2.369 0.02 . 1 . . . . . . . . 5398 1 706 . 1 1 62 62 GLN HG3 H 1 2.369 0.02 . 1 . . . . . . . . 5398 1 707 . 1 1 62 62 GLN C C 13 175.5 0.08 . 1 . . . . . . . . 5398 1 708 . 1 1 62 62 GLN CA C 13 57.25 0.08 . 1 . . . . . . . . 5398 1 709 . 1 1 62 62 GLN CB C 13 25.57 0.08 . 1 . . . . . . . . 5398 1 710 . 1 1 62 62 GLN CG C 13 34.03 0.08 . 1 . . . . . . . . 5398 1 711 . 1 1 62 62 GLN N N 15 111.4 0.08 . 1 . . . . . . . . 5398 1 712 . 1 1 63 63 PHE HZ H 1 6.333 0.02 . 1 . . . . . . . . 5398 1 713 . 1 1 63 63 PHE HA H 1 3.527 0.02 . 1 . . . . . . . . 5398 1 714 . 1 1 63 63 PHE HB2 H 1 3.315 0.02 . 2 . . . . . . . . 5398 1 715 . 1 1 63 63 PHE HB3 H 1 3.644 0.02 . 2 . . . . . . . . 5398 1 716 . 1 1 63 63 PHE HE1 H 1 6.854 0.02 . 1 . . . . . . . . 5398 1 717 . 1 1 63 63 PHE HE2 H 1 6.854 0.02 . 1 . . . . . . . . 5398 1 718 . 1 1 63 63 PHE HD1 H 1 7.086 0.02 . 1 . . . . . . . . 5398 1 719 . 1 1 63 63 PHE HD2 H 1 7.086 0.02 . 1 . . . . . . . . 5398 1 720 . 1 1 63 63 PHE H H 1 8.429 0.02 . 1 . . . . . . . . 5398 1 721 . 1 1 63 63 PHE C C 13 173.0 0.08 . 1 . . . . . . . . 5398 1 722 . 1 1 63 63 PHE CA C 13 61.34 0.08 . 1 . . . . . . . . 5398 1 723 . 1 1 63 63 PHE CB C 13 35.67 0.08 . 1 . . . . . . . . 5398 1 724 . 1 1 63 63 PHE CD1 C 13 131.3 0.08 . 1 . . . . . . . . 5398 1 725 . 1 1 63 63 PHE CD2 C 13 131.3 0.08 . 1 . . . . . . . . 5398 1 726 . 1 1 63 63 PHE CE1 C 13 129.7 0.08 . 1 . . . . . . . . 5398 1 727 . 1 1 63 63 PHE CE2 C 13 129.7 0.08 . 1 . . . . . . . . 5398 1 728 . 1 1 63 63 PHE N N 15 111.1 0.08 . 1 . . . . . . . . 5398 1 729 . 1 1 64 64 ASP HA H 1 4.779 0.02 . 1 . . . . . . . . 5398 1 730 . 1 1 64 64 ASP HB2 H 1 2.920 0.02 . 1 . . . . . . . . 5398 1 731 . 1 1 64 64 ASP HB3 H 1 2.920 0.02 . 1 . . . . . . . . 5398 1 732 . 1 1 64 64 ASP H H 1 7.242 0.02 . 1 . . . . . . . . 5398 1 733 . 1 1 64 64 ASP C C 13 175.7 0.08 . 1 . . . . . . . . 5398 1 734 . 1 1 64 64 ASP CA C 13 51.59 0.08 . 1 . . . . . . . . 5398 1 735 . 1 1 64 64 ASP CB C 13 41.51 0.08 . 1 . . . . . . . . 5398 1 736 . 1 1 64 64 ASP N N 15 116.4 0.08 . 1 . . . . . . . . 5398 1 737 . 1 1 65 65 PRO HA H 1 3.595 0.02 . 1 . . . . . . . . 5398 1 738 . 1 1 65 65 PRO HB2 H 1 0.9557 0.02 . 2 . . . . . . . . 5398 1 739 . 1 1 65 65 PRO HB3 H 1 1.448 0.02 . 2 . . . . . . . . 5398 1 740 . 1 1 65 65 PRO HD2 H 1 3.678 0.02 . 2 . . . . . . . . 5398 1 741 . 1 1 65 65 PRO HD3 H 1 4.443 0.02 . 2 . . . . . . . . 5398 1 742 . 1 1 65 65 PRO HG2 H 1 0.7610 0.02 . 2 . . . . . . . . 5398 1 743 . 1 1 65 65 PRO HG3 H 1 1.223 0.02 . 2 . . . . . . . . 5398 1 744 . 1 1 65 65 PRO C C 13 177.3 0.08 . 1 . . . . . . . . 5398 1 745 . 1 1 65 65 PRO CA C 13 65.15 0.08 . 1 . . . . . . . . 5398 1 746 . 1 1 65 65 PRO CB C 13 31.95 0.08 . 1 . . . . . . . . 5398 1 747 . 1 1 65 65 PRO CD C 13 50.17 0.08 . 1 . . . . . . . . 5398 1 748 . 1 1 65 65 PRO CG C 13 26.42 0.08 . 1 . . . . . . . . 5398 1 749 . 1 1 66 66 VAL HA H 1 3.548 0.02 . 1 . . . . . . . . 5398 1 750 . 1 1 66 66 VAL HB H 1 2.113 0.02 . 1 . . . . . . . . 5398 1 751 . 1 1 66 66 VAL H H 1 7.560 0.02 . 1 . . . . . . . . 5398 1 752 . 1 1 66 66 VAL HG11 H 1 0.8652 0.02 . 2 . . . . . . . . 5398 1 753 . 1 1 66 66 VAL HG12 H 1 0.8652 0.02 . 2 . . . . . . . . 5398 1 754 . 1 1 66 66 VAL HG13 H 1 0.8652 0.02 . 2 . . . . . . . . 5398 1 755 . 1 1 66 66 VAL HG21 H 1 1.058 0.02 . 2 . . . . . . . . 5398 1 756 . 1 1 66 66 VAL HG22 H 1 1.058 0.02 . 2 . . . . . . . . 5398 1 757 . 1 1 66 66 VAL HG23 H 1 1.058 0.02 . 2 . . . . . . . . 5398 1 758 . 1 1 66 66 VAL C C 13 178.7 0.08 . 1 . . . . . . . . 5398 1 759 . 1 1 66 66 VAL CA C 13 65.93 0.08 . 1 . . . . . . . . 5398 1 760 . 1 1 66 66 VAL CB C 13 31.45 0.08 . 1 . . . . . . . . 5398 1 761 . 1 1 66 66 VAL CG1 C 13 20.58 0.08 . 2 . . . . . . . . 5398 1 762 . 1 1 66 66 VAL CG2 C 13 22.91 0.08 . 2 . . . . . . . . 5398 1 763 . 1 1 66 66 VAL N N 15 114.7 0.08 . 1 . . . . . . . . 5398 1 764 . 1 1 67 67 LYS HA H 1 3.923 0.02 . 1 . . . . . . . . 5398 1 765 . 1 1 67 67 LYS HB2 H 1 1.726 0.02 . 1 . . . . . . . . 5398 1 766 . 1 1 67 67 LYS HB3 H 1 1.726 0.02 . 1 . . . . . . . . 5398 1 767 . 1 1 67 67 LYS HE2 H 1 2.879 0.02 . 1 . . . . . . . . 5398 1 768 . 1 1 67 67 LYS HE3 H 1 2.879 0.02 . 1 . . . . . . . . 5398 1 769 . 1 1 67 67 LYS HD2 H 1 1.577 0.02 . 1 . . . . . . . . 5398 1 770 . 1 1 67 67 LYS HD3 H 1 1.577 0.02 . 1 . . . . . . . . 5398 1 771 . 1 1 67 67 LYS H H 1 7.085 0.02 . 1 . . . . . . . . 5398 1 772 . 1 1 67 67 LYS HG2 H 1 1.201 0.02 . 1 . . . . . . . . 5398 1 773 . 1 1 67 67 LYS HG3 H 1 1.201 0.02 . 1 . . . . . . . . 5398 1 774 . 1 1 67 67 LYS C C 13 179.6 0.08 . 1 . . . . . . . . 5398 1 775 . 1 1 67 67 LYS CA C 13 57.98 0.08 . 1 . . . . . . . . 5398 1 776 . 1 1 67 67 LYS CB C 13 32.66 0.08 . 1 . . . . . . . . 5398 1 777 . 1 1 67 67 LYS CD C 13 29.16 0.08 . 1 . . . . . . . . 5398 1 778 . 1 1 67 67 LYS CE C 13 41.80 0.08 . 1 . . . . . . . . 5398 1 779 . 1 1 67 67 LYS CG C 13 25.56 0.08 . 1 . . . . . . . . 5398 1 780 . 1 1 67 67 LYS N N 15 118.1 0.08 . 1 . . . . . . . . 5398 1 781 . 1 1 68 68 VAL HA H 1 3.611 0.02 . 1 . . . . . . . . 5398 1 782 . 1 1 68 68 VAL HB H 1 1.771 0.02 . 1 . . . . . . . . 5398 1 783 . 1 1 68 68 VAL H H 1 8.402 0.02 . 1 . . . . . . . . 5398 1 784 . 1 1 68 68 VAL HG11 H 1 1.107 0.02 . 2 . . . . . . . . 5398 1 785 . 1 1 68 68 VAL HG12 H 1 1.107 0.02 . 2 . . . . . . . . 5398 1 786 . 1 1 68 68 VAL HG13 H 1 1.107 0.02 . 2 . . . . . . . . 5398 1 787 . 1 1 68 68 VAL HG21 H 1 1.145 0.02 . 2 . . . . . . . . 5398 1 788 . 1 1 68 68 VAL HG22 H 1 1.145 0.02 . 2 . . . . . . . . 5398 1 789 . 1 1 68 68 VAL HG23 H 1 1.145 0.02 . 2 . . . . . . . . 5398 1 790 . 1 1 68 68 VAL C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 791 . 1 1 68 68 VAL CA C 13 66.02 0.08 . 1 . . . . . . . . 5398 1 792 . 1 1 68 68 VAL CB C 13 31.92 0.08 . 1 . . . . . . . . 5398 1 793 . 1 1 68 68 VAL CG1 C 13 25.47 0.08 . 2 . . . . . . . . 5398 1 794 . 1 1 68 68 VAL CG2 C 13 25.12 0.08 . 2 . . . . . . . . 5398 1 795 . 1 1 68 68 VAL N N 15 119.9 0.08 . 1 . . . . . . . . 5398 1 796 . 1 1 69 69 ALA HA H 1 4.024 0.02 . 1 . . . . . . . . 5398 1 797 . 1 1 69 69 ALA HB1 H 1 1.350 0.02 . 1 . . . . . . . . 5398 1 798 . 1 1 69 69 ALA HB2 H 1 1.350 0.02 . 1 . . . . . . . . 5398 1 799 . 1 1 69 69 ALA HB3 H 1 1.350 0.02 . 1 . . . . . . . . 5398 1 800 . 1 1 69 69 ALA H H 1 8.230 0.02 . 1 . . . . . . . . 5398 1 801 . 1 1 69 69 ALA C C 13 177.9 0.08 . 1 . . . . . . . . 5398 1 802 . 1 1 69 69 ALA CA C 13 54.19 0.08 . 1 . . . . . . . . 5398 1 803 . 1 1 69 69 ALA CB C 13 19.55 0.08 . 1 . . . . . . . . 5398 1 804 . 1 1 69 69 ALA N N 15 118.0 0.08 . 1 . . . . . . . . 5398 1 805 . 1 1 70 70 ALA HA H 1 4.314 0.02 . 1 . . . . . . . . 5398 1 806 . 1 1 70 70 ALA HB1 H 1 1.418 0.02 . 1 . . . . . . . . 5398 1 807 . 1 1 70 70 ALA HB2 H 1 1.418 0.02 . 1 . . . . . . . . 5398 1 808 . 1 1 70 70 ALA HB3 H 1 1.418 0.02 . 1 . . . . . . . . 5398 1 809 . 1 1 70 70 ALA H H 1 6.770 0.02 . 1 . . . . . . . . 5398 1 810 . 1 1 70 70 ALA C C 13 178.0 0.08 . 1 . . . . . . . . 5398 1 811 . 1 1 70 70 ALA CA C 13 51.47 0.08 . 1 . . . . . . . . 5398 1 812 . 1 1 70 70 ALA CB C 13 18.73 0.08 . 1 . . . . . . . . 5398 1 813 . 1 1 70 70 ALA N N 15 116.6 0.08 . 1 . . . . . . . . 5398 1 814 . 1 1 71 71 MET HA H 1 4.144 0.02 . 1 . . . . . . . . 5398 1 815 . 1 1 71 71 MET HB2 H 1 2.513 0.02 . 1 . . . . . . . . 5398 1 816 . 1 1 71 71 MET HB3 H 1 2.513 0.02 . 1 . . . . . . . . 5398 1 817 . 1 1 71 71 MET HE1 H 1 1.953 0.02 . 1 . . . . . . . . 5398 1 818 . 1 1 71 71 MET HE2 H 1 1.953 0.02 . 1 . . . . . . . . 5398 1 819 . 1 1 71 71 MET HE3 H 1 1.953 0.02 . 1 . . . . . . . . 5398 1 820 . 1 1 71 71 MET H H 1 7.716 0.02 . 1 . . . . . . . . 5398 1 821 . 1 1 71 71 MET HG2 H 1 2.165 0.02 . 2 . . . . . . . . 5398 1 822 . 1 1 71 71 MET HG3 H 1 2.352 0.02 . 2 . . . . . . . . 5398 1 823 . 1 1 71 71 MET C C 13 174.7 0.08 . 1 . . . . . . . . 5398 1 824 . 1 1 71 71 MET CA C 13 57.99 0.08 . 1 . . . . . . . . 5398 1 825 . 1 1 71 71 MET CB C 13 33.39 0.08 . 1 . . . . . . . . 5398 1 826 . 1 1 71 71 MET CE C 13 17.71 0.08 . 1 . . . . . . . . 5398 1 827 . 1 1 71 71 MET N N 15 121.4 0.08 . 1 . . . . . . . . 5398 1 828 . 1 1 72 72 GLN HA H 1 4.842 0.02 . 1 . . . . . . . . 5398 1 829 . 1 1 72 72 GLN HB2 H 1 2.538 0.02 . 1 . . . . . . . . 5398 1 830 . 1 1 72 72 GLN HB3 H 1 2.538 0.02 . 1 . . . . . . . . 5398 1 831 . 1 1 72 72 GLN H H 1 9.341 0.02 . 1 . . . . . . . . 5398 1 832 . 1 1 72 72 GLN HG2 H 1 1.908 0.02 . 1 . . . . . . . . 5398 1 833 . 1 1 72 72 GLN HG3 H 1 1.908 0.02 . 1 . . . . . . . . 5398 1 834 . 1 1 72 72 GLN C C 13 177.6 0.08 . 1 . . . . . . . . 5398 1 835 . 1 1 72 72 GLN CA C 13 53.64 0.08 . 1 . . . . . . . . 5398 1 836 . 1 1 72 72 GLN CB C 13 33.20 0.08 . 1 . . . . . . . . 5398 1 837 . 1 1 72 72 GLN N N 15 118.2 0.08 . 1 . . . . . . . . 5398 1 838 . 1 1 73 73 GLU HA H 1 4.072 0.02 . 1 . . . . . . . . 5398 1 839 . 1 1 73 73 GLU HB2 H 1 2.070 0.02 . 1 . . . . . . . . 5398 1 840 . 1 1 73 73 GLU HB3 H 1 2.070 0.02 . 1 . . . . . . . . 5398 1 841 . 1 1 73 73 GLU H H 1 9.083 0.02 . 1 . . . . . . . . 5398 1 842 . 1 1 73 73 GLU HG2 H 1 2.383 0.02 . 1 . . . . . . . . 5398 1 843 . 1 1 73 73 GLU HG3 H 1 2.383 0.02 . 1 . . . . . . . . 5398 1 844 . 1 1 73 73 GLU C C 13 179.0 0.08 . 1 . . . . . . . . 5398 1 845 . 1 1 73 73 GLU CA C 13 59.93 0.08 . 1 . . . . . . . . 5398 1 846 . 1 1 73 73 GLU CB C 13 28.58 0.08 . 1 . . . . . . . . 5398 1 847 . 1 1 73 73 GLU CG C 13 35.80 0.08 . 1 . . . . . . . . 5398 1 848 . 1 1 73 73 GLU N N 15 123.2 0.08 . 1 . . . . . . . . 5398 1 849 . 1 1 74 74 GLU HA H 1 4.066 0.02 . 1 . . . . . . . . 5398 1 850 . 1 1 74 74 GLU HB2 H 1 1.960 0.02 . 2 . . . . . . . . 5398 1 851 . 1 1 74 74 GLU HB3 H 1 2.024 0.02 . 2 . . . . . . . . 5398 1 852 . 1 1 74 74 GLU H H 1 9.075 0.02 . 1 . . . . . . . . 5398 1 853 . 1 1 74 74 GLU HG2 H 1 2.285 0.02 . 2 . . . . . . . . 5398 1 854 . 1 1 74 74 GLU HG3 H 1 2.305 0.02 . 2 . . . . . . . . 5398 1 855 . 1 1 74 74 GLU C C 13 179.4 0.08 . 1 . . . . . . . . 5398 1 856 . 1 1 74 74 GLU CA C 13 59.42 0.08 . 1 . . . . . . . . 5398 1 857 . 1 1 74 74 GLU CB C 13 28.64 0.08 . 1 . . . . . . . . 5398 1 858 . 1 1 74 74 GLU CG C 13 36.10 0.08 . 1 . . . . . . . . 5398 1 859 . 1 1 74 74 GLU N N 15 116.8 0.08 . 1 . . . . . . . . 5398 1 860 . 1 1 75 75 ASP HA H 1 4.479 0.02 . 1 . . . . . . . . 5398 1 861 . 1 1 75 75 ASP HB2 H 1 2.516 0.02 . 1 . . . . . . . . 5398 1 862 . 1 1 75 75 ASP HB3 H 1 2.516 0.02 . 1 . . . . . . . . 5398 1 863 . 1 1 75 75 ASP H H 1 7.546 0.02 . 1 . . . . . . . . 5398 1 864 . 1 1 75 75 ASP C C 13 177.5 0.08 . 1 . . . . . . . . 5398 1 865 . 1 1 75 75 ASP CA C 13 57.35 0.08 . 1 . . . . . . . . 5398 1 866 . 1 1 75 75 ASP CB C 13 40.87 0.08 . 1 . . . . . . . . 5398 1 867 . 1 1 75 75 ASP N N 15 118.1 0.08 . 1 . . . . . . . . 5398 1 868 . 1 1 76 76 VAL HA H 1 3.377 0.02 . 1 . . . . . . . . 5398 1 869 . 1 1 76 76 VAL HB H 1 2.481 0.02 . 1 . . . . . . . . 5398 1 870 . 1 1 76 76 VAL H H 1 7.597 0.02 . 1 . . . . . . . . 5398 1 871 . 1 1 76 76 VAL HG11 H 1 0.9359 0.02 . 2 . . . . . . . . 5398 1 872 . 1 1 76 76 VAL HG12 H 1 0.9359 0.02 . 2 . . . . . . . . 5398 1 873 . 1 1 76 76 VAL HG13 H 1 0.9359 0.02 . 2 . . . . . . . . 5398 1 874 . 1 1 76 76 VAL HG21 H 1 1.006 0.02 . 2 . . . . . . . . 5398 1 875 . 1 1 76 76 VAL HG22 H 1 1.006 0.02 . 2 . . . . . . . . 5398 1 876 . 1 1 76 76 VAL HG23 H 1 1.006 0.02 . 2 . . . . . . . . 5398 1 877 . 1 1 76 76 VAL C C 13 176.9 0.08 . 1 . . . . . . . . 5398 1 878 . 1 1 76 76 VAL CA C 13 67.06 0.08 . 1 . . . . . . . . 5398 1 879 . 1 1 76 76 VAL CB C 13 31.02 0.08 . 1 . . . . . . . . 5398 1 880 . 1 1 76 76 VAL CG1 C 13 21.08 0.08 . 2 . . . . . . . . 5398 1 881 . 1 1 76 76 VAL CG2 C 13 22.55 0.08 . 2 . . . . . . . . 5398 1 882 . 1 1 76 76 VAL N N 15 120.5 0.08 . 1 . . . . . . . . 5398 1 883 . 1 1 77 77 GLU HA H 1 3.952 0.02 . 1 . . . . . . . . 5398 1 884 . 1 1 77 77 GLU HB2 H 1 2.029 0.02 . 1 . . . . . . . . 5398 1 885 . 1 1 77 77 GLU HB3 H 1 2.029 0.02 . 1 . . . . . . . . 5398 1 886 . 1 1 77 77 GLU H H 1 8.068 0.02 . 1 . . . . . . . . 5398 1 887 . 1 1 77 77 GLU HG2 H 1 2.354 0.02 . 1 . . . . . . . . 5398 1 888 . 1 1 77 77 GLU HG3 H 1 2.354 0.02 . 1 . . . . . . . . 5398 1 889 . 1 1 77 77 GLU C C 13 178.5 0.08 . 1 . . . . . . . . 5398 1 890 . 1 1 77 77 GLU CA C 13 58.01 0.08 . 1 . . . . . . . . 5398 1 891 . 1 1 77 77 GLU CB C 13 28.92 0.08 . 1 . . . . . . . . 5398 1 892 . 1 1 77 77 GLU CG C 13 35.28 0.08 . 1 . . . . . . . . 5398 1 893 . 1 1 77 77 GLU N N 15 115.8 0.08 . 1 . . . . . . . . 5398 1 894 . 1 1 78 78 ARG HA H 1 4.107 0.02 . 1 . . . . . . . . 5398 1 895 . 1 1 78 78 ARG HB2 H 1 1.883 0.02 . 2 . . . . . . . . 5398 1 896 . 1 1 78 78 ARG HB3 H 1 1.995 0.02 . 2 . . . . . . . . 5398 1 897 . 1 1 78 78 ARG HE H 1 7.485 0.02 . 1 . . . . . . . . 5398 1 898 . 1 1 78 78 ARG HD2 H 1 3.184 0.02 . 2 . . . . . . . . 5398 1 899 . 1 1 78 78 ARG HD3 H 1 3.288 0.02 . 2 . . . . . . . . 5398 1 900 . 1 1 78 78 ARG H H 1 7.277 0.02 . 1 . . . . . . . . 5398 1 901 . 1 1 78 78 ARG HG2 H 1 1.436 0.02 . 2 . . . . . . . . 5398 1 902 . 1 1 78 78 ARG HG3 H 1 1.655 0.02 . 2 . . . . . . . . 5398 1 903 . 1 1 78 78 ARG C C 13 179.3 0.08 . 1 . . . . . . . . 5398 1 904 . 1 1 78 78 ARG CA C 13 58.53 0.08 . 1 . . . . . . . . 5398 1 905 . 1 1 78 78 ARG CB C 13 30.33 0.08 . 1 . . . . . . . . 5398 1 906 . 1 1 78 78 ARG CD C 13 42.65 0.08 . 1 . . . . . . . . 5398 1 907 . 1 1 78 78 ARG CG C 13 27.39 0.08 . 1 . . . . . . . . 5398 1 908 . 1 1 78 78 ARG N N 15 118.4 0.08 . 1 . . . . . . . . 5398 1 909 . 1 1 78 78 ARG NE N 15 83.13 0.08 . 1 . . . . . . . . 5398 1 910 . 1 1 79 79 LEU HA H 1 3.976 0.02 . 1 . . . . . . . . 5398 1 911 . 1 1 79 79 LEU HB2 H 1 1.326 0.02 . 1 . . . . . . . . 5398 1 912 . 1 1 79 79 LEU HB3 H 1 1.326 0.02 . 1 . . . . . . . . 5398 1 913 . 1 1 79 79 LEU HD11 H 1 0.3630 0.02 . 2 . . . . . . . . 5398 1 914 . 1 1 79 79 LEU HD12 H 1 0.3630 0.02 . 2 . . . . . . . . 5398 1 915 . 1 1 79 79 LEU HD13 H 1 0.3630 0.02 . 2 . . . . . . . . 5398 1 916 . 1 1 79 79 LEU HD21 H 1 0.5734 0.02 . 2 . . . . . . . . 5398 1 917 . 1 1 79 79 LEU HD22 H 1 0.5734 0.02 . 2 . . . . . . . . 5398 1 918 . 1 1 79 79 LEU HD23 H 1 0.5734 0.02 . 2 . . . . . . . . 5398 1 919 . 1 1 79 79 LEU H H 1 8.466 0.02 . 1 . . . . . . . . 5398 1 920 . 1 1 79 79 LEU HG H 1 1.672 0.02 . 1 . . . . . . . . 5398 1 921 . 1 1 79 79 LEU C C 13 178.5 0.08 . 1 . . . . . . . . 5398 1 922 . 1 1 79 79 LEU CA C 13 57.57 0.08 . 1 . . . . . . . . 5398 1 923 . 1 1 79 79 LEU CB C 13 41.32 0.08 . 1 . . . . . . . . 5398 1 924 . 1 1 79 79 LEU CD1 C 13 25.81 0.08 . 2 . . . . . . . . 5398 1 925 . 1 1 79 79 LEU CD2 C 13 23.40 0.08 . 2 . . . . . . . . 5398 1 926 . 1 1 79 79 LEU CG C 13 27.06 0.08 . 1 . . . . . . . . 5398 1 927 . 1 1 79 79 LEU N N 15 122.0 0.08 . 1 . . . . . . . . 5398 1 928 . 1 1 80 80 VAL HA H 1 3.639 0.02 . 1 . . . . . . . . 5398 1 929 . 1 1 80 80 VAL HB H 1 2.096 0.02 . 1 . . . . . . . . 5398 1 930 . 1 1 80 80 VAL H H 1 8.300 0.02 . 1 . . . . . . . . 5398 1 931 . 1 1 80 80 VAL HG11 H 1 0.9513 0.02 . 2 . . . . . . . . 5398 1 932 . 1 1 80 80 VAL HG12 H 1 0.9513 0.02 . 2 . . . . . . . . 5398 1 933 . 1 1 80 80 VAL HG13 H 1 0.9513 0.02 . 2 . . . . . . . . 5398 1 934 . 1 1 80 80 VAL HG21 H 1 0.9688 0.02 . 2 . . . . . . . . 5398 1 935 . 1 1 80 80 VAL HG22 H 1 0.9688 0.02 . 2 . . . . . . . . 5398 1 936 . 1 1 80 80 VAL HG23 H 1 0.9688 0.02 . 2 . . . . . . . . 5398 1 937 . 1 1 80 80 VAL C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 938 . 1 1 80 80 VAL CA C 13 63.69 0.08 . 1 . . . . . . . . 5398 1 939 . 1 1 80 80 VAL CB C 13 31.29 0.08 . 1 . . . . . . . . 5398 1 940 . 1 1 80 80 VAL CG1 C 13 20.39 0.08 . 2 . . . . . . . . 5398 1 941 . 1 1 80 80 VAL CG2 C 13 22.48 0.08 . 2 . . . . . . . . 5398 1 942 . 1 1 80 80 VAL N N 15 115.3 0.08 . 1 . . . . . . . . 5398 1 943 . 1 1 81 81 GLN HA H 1 4.365 0.02 . 1 . . . . . . . . 5398 1 944 . 1 1 81 81 GLN HB2 H 1 1.899 0.02 . 2 . . . . . . . . 5398 1 945 . 1 1 81 81 GLN HB3 H 1 2.344 0.02 . 2 . . . . . . . . 5398 1 946 . 1 1 81 81 GLN H H 1 7.087 0.02 . 1 . . . . . . . . 5398 1 947 . 1 1 81 81 GLN HG2 H 1 2.283 0.02 . 2 . . . . . . . . 5398 1 948 . 1 1 81 81 GLN HG3 H 1 2.449 0.02 . 2 . . . . . . . . 5398 1 949 . 1 1 81 81 GLN C C 13 175.9 0.08 . 1 . . . . . . . . 5398 1 950 . 1 1 81 81 GLN CA C 13 54.56 0.08 . 1 . . . . . . . . 5398 1 951 . 1 1 81 81 GLN CB C 13 29.26 0.08 . 1 . . . . . . . . 5398 1 952 . 1 1 81 81 GLN CG C 13 33.42 0.08 . 1 . . . . . . . . 5398 1 953 . 1 1 81 81 GLN N N 15 115.5 0.08 . 1 . . . . . . . . 5398 1 954 . 1 1 82 82 ASP HA H 1 4.425 0.02 . 1 . . . . . . . . 5398 1 955 . 1 1 82 82 ASP HB2 H 1 2.298 0.02 . 2 . . . . . . . . 5398 1 956 . 1 1 82 82 ASP HB3 H 1 3.081 0.02 . 2 . . . . . . . . 5398 1 957 . 1 1 82 82 ASP H H 1 7.739 0.02 . 1 . . . . . . . . 5398 1 958 . 1 1 82 82 ASP C C 13 174.9 0.08 . 1 . . . . . . . . 5398 1 959 . 1 1 82 82 ASP CA C 13 54.29 0.08 . 1 . . . . . . . . 5398 1 960 . 1 1 82 82 ASP CB C 13 42.35 0.08 . 1 . . . . . . . . 5398 1 961 . 1 1 82 82 ASP N N 15 122.7 0.08 . 1 . . . . . . . . 5398 1 962 . 1 1 83 83 ALA HA H 1 4.036 0.02 . 1 . . . . . . . . 5398 1 963 . 1 1 83 83 ALA HB1 H 1 1.388 0.02 . 1 . . . . . . . . 5398 1 964 . 1 1 83 83 ALA HB2 H 1 1.388 0.02 . 1 . . . . . . . . 5398 1 965 . 1 1 83 83 ALA HB3 H 1 1.388 0.02 . 1 . . . . . . . . 5398 1 966 . 1 1 83 83 ALA H H 1 8.303 0.02 . 1 . . . . . . . . 5398 1 967 . 1 1 83 83 ALA C C 13 178.4 0.08 . 1 . . . . . . . . 5398 1 968 . 1 1 83 83 ALA CA C 13 52.93 0.08 . 1 . . . . . . . . 5398 1 969 . 1 1 83 83 ALA CB C 13 18.61 0.08 . 1 . . . . . . . . 5398 1 970 . 1 1 83 83 ALA N N 15 125.5 0.08 . 1 . . . . . . . . 5398 1 971 . 1 1 84 84 GLY HA2 H 1 3.716 0.02 . 2 . . . . . . . . 5398 1 972 . 1 1 84 84 GLY HA3 H 1 3.999 0.02 . 2 . . . . . . . . 5398 1 973 . 1 1 84 84 GLY H H 1 9.210 0.02 . 1 . . . . . . . . 5398 1 974 . 1 1 84 84 GLY C C 13 173.9 0.08 . 1 . . . . . . . . 5398 1 975 . 1 1 84 84 GLY CA C 13 45.21 0.08 . 1 . . . . . . . . 5398 1 976 . 1 1 84 84 GLY N N 15 107.9 0.08 . 1 . . . . . . . . 5398 1 977 . 1 1 85 85 ILE HA H 1 4.379 0.02 . 1 . . . . . . . . 5398 1 978 . 1 1 85 85 ILE HB H 1 1.347 0.02 . 1 . . . . . . . . 5398 1 979 . 1 1 85 85 ILE HD11 H 1 0.8052 0.02 . 1 . . . . . . . . 5398 1 980 . 1 1 85 85 ILE HD12 H 1 0.8052 0.02 . 1 . . . . . . . . 5398 1 981 . 1 1 85 85 ILE HD13 H 1 0.8052 0.02 . 1 . . . . . . . . 5398 1 982 . 1 1 85 85 ILE H H 1 7.000 0.02 . 1 . . . . . . . . 5398 1 983 . 1 1 85 85 ILE HG12 H 1 0.9804 0.02 . 2 . . . . . . . . 5398 1 984 . 1 1 85 85 ILE HG13 H 1 1.028 0.02 . 2 . . . . . . . . 5398 1 985 . 1 1 85 85 ILE HG21 H 1 0.03916 0.02 . 1 . . . . . . . . 5398 1 986 . 1 1 85 85 ILE HG22 H 1 0.03916 0.02 . 1 . . . . . . . . 5398 1 987 . 1 1 85 85 ILE HG23 H 1 0.03916 0.02 . 1 . . . . . . . . 5398 1 988 . 1 1 85 85 ILE C C 13 174.4 0.08 . 1 . . . . . . . . 5398 1 989 . 1 1 85 85 ILE CA C 13 58.70 0.08 . 1 . . . . . . . . 5398 1 990 . 1 1 85 85 ILE CB C 13 40.16 0.08 . 1 . . . . . . . . 5398 1 991 . 1 1 85 85 ILE CD1 C 13 14.10 0.08 . 1 . . . . . . . . 5398 1 992 . 1 1 85 85 ILE CG1 C 13 25.01 0.08 . 2 . . . . . . . . 5398 1 993 . 1 1 85 85 ILE CG2 C 13 17.02 0.08 . 2 . . . . . . . . 5398 1 994 . 1 1 85 85 ILE N N 15 110.7 0.08 . 1 . . . . . . . . 5398 1 995 . 1 1 86 86 ILE HA H 1 4.090 0.02 . 1 . . . . . . . . 5398 1 996 . 1 1 86 86 ILE HB H 1 2.034 0.02 . 1 . . . . . . . . 5398 1 997 . 1 1 86 86 ILE HD11 H 1 0.7506 0.02 . 1 . . . . . . . . 5398 1 998 . 1 1 86 86 ILE HD12 H 1 0.7506 0.02 . 1 . . . . . . . . 5398 1 999 . 1 1 86 86 ILE HD13 H 1 0.7506 0.02 . 1 . . . . . . . . 5398 1 1000 . 1 1 86 86 ILE H H 1 7.418 0.02 . 1 . . . . . . . . 5398 1 1001 . 1 1 86 86 ILE HG12 H 1 1.274 0.02 . 2 . . . . . . . . 5398 1 1002 . 1 1 86 86 ILE HG13 H 1 1.437 0.02 . 2 . . . . . . . . 5398 1 1003 . 1 1 86 86 ILE HG21 H 1 0.8546 0.02 . 1 . . . . . . . . 5398 1 1004 . 1 1 86 86 ILE HG22 H 1 0.8546 0.02 . 1 . . . . . . . . 5398 1 1005 . 1 1 86 86 ILE HG23 H 1 0.8546 0.02 . 1 . . . . . . . . 5398 1 1006 . 1 1 86 86 ILE C C 13 176.6 0.08 . 1 . . . . . . . . 5398 1 1007 . 1 1 86 86 ILE CA C 13 60.85 0.08 . 1 . . . . . . . . 5398 1 1008 . 1 1 86 86 ILE CB C 13 35.85 0.08 . 1 . . . . . . . . 5398 1 1009 . 1 1 86 86 ILE CD1 C 13 12.83 0.08 . 1 . . . . . . . . 5398 1 1010 . 1 1 86 86 ILE CG1 C 13 27.15 0.08 . 2 . . . . . . . . 5398 1 1011 . 1 1 86 86 ILE CG2 C 13 17.30 0.08 . 2 . . . . . . . . 5398 1 1012 . 1 1 86 86 ILE N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 1013 . 1 1 87 87 ARG HA H 1 4.000 0.02 . 1 . . . . . . . . 5398 1 1014 . 1 1 87 87 ARG HB2 H 1 2.888 0.02 . 1 . . . . . . . . 5398 1 1015 . 1 1 87 87 ARG HB3 H 1 2.888 0.02 . 1 . . . . . . . . 5398 1 1016 . 1 1 87 87 ARG HE H 1 7.166 0.02 . 1 . . . . . . . . 5398 1 1017 . 1 1 87 87 ARG H H 1 8.564 0.02 . 1 . . . . . . . . 5398 1 1018 . 1 1 87 87 ARG C C 13 174.6 0.08 . 1 . . . . . . . . 5398 1 1019 . 1 1 87 87 ARG CA C 13 56.17 0.08 . 1 . . . . . . . . 5398 1 1020 . 1 1 87 87 ARG CB C 13 27.75 0.08 . 1 . . . . . . . . 5398 1 1021 . 1 1 87 87 ARG N N 15 130.9 0.08 . 1 . . . . . . . . 5398 1 1022 . 1 1 87 87 ARG NE N 15 84.80 0.08 . 1 . . . . . . . . 5398 1 1023 . 1 1 88 88 HIS HA H 1 4.656 0.02 . 1 . . . . . . . . 5398 1 1024 . 1 1 88 88 HIS HB2 H 1 2.912 0.02 . 1 . . . . . . . . 5398 1 1025 . 1 1 88 88 HIS HB3 H 1 2.912 0.02 . 1 . . . . . . . . 5398 1 1026 . 1 1 88 88 HIS H H 1 7.875 0.02 . 1 . . . . . . . . 5398 1 1027 . 1 1 88 88 HIS C C 13 174.9 0.08 . 1 . . . . . . . . 5398 1 1028 . 1 1 88 88 HIS CA C 13 55.60 0.08 . 1 . . . . . . . . 5398 1 1029 . 1 1 88 88 HIS CB C 13 33.07 0.08 . 1 . . . . . . . . 5398 1 1030 . 1 1 88 88 HIS N N 15 128.1 0.08 . 1 . . . . . . . . 5398 1 1031 . 1 1 89 89 ARG HA H 1 3.628 0.02 . 1 . . . . . . . . 5398 1 1032 . 1 1 89 89 ARG HB2 H 1 1.721 0.02 . 2 . . . . . . . . 5398 1 1033 . 1 1 89 89 ARG HB3 H 1 1.793 0.02 . 2 . . . . . . . . 5398 1 1034 . 1 1 89 89 ARG HE H 1 7.825 0.02 . 1 . . . . . . . . 5398 1 1035 . 1 1 89 89 ARG HD2 H 1 3.111 0.02 . 2 . . . . . . . . 5398 1 1036 . 1 1 89 89 ARG HD3 H 1 3.250 0.02 . 2 . . . . . . . . 5398 1 1037 . 1 1 89 89 ARG H H 1 8.987 0.02 . 1 . . . . . . . . 5398 1 1038 . 1 1 89 89 ARG HG2 H 1 1.376 0.02 . 2 . . . . . . . . 5398 1 1039 . 1 1 89 89 ARG HG3 H 1 1.462 0.02 . 2 . . . . . . . . 5398 1 1040 . 1 1 89 89 ARG C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 1041 . 1 1 89 89 ARG CA C 13 60.83 0.08 . 1 . . . . . . . . 5398 1 1042 . 1 1 89 89 ARG CB C 13 30.41 0.08 . 1 . . . . . . . . 5398 1 1043 . 1 1 89 89 ARG CD C 13 42.46 0.08 . 1 . . . . . . . . 5398 1 1044 . 1 1 89 89 ARG CG C 13 28.63 0.08 . 1 . . . . . . . . 5398 1 1045 . 1 1 89 89 ARG N N 15 127.9 0.08 . 1 . . . . . . . . 5398 1 1046 . 1 1 89 89 ARG NE N 15 84.37 0.08 . 1 . . . . . . . . 5398 1 1047 . 1 1 90 90 GLY HA2 H 1 4.134 0.02 . 2 . . . . . . . . 5398 1 1048 . 1 1 90 90 GLY HA3 H 1 4.283 0.02 . 2 . . . . . . . . 5398 1 1049 . 1 1 90 90 GLY H H 1 8.413 0.02 . 1 . . . . . . . . 5398 1 1050 . 1 1 90 90 GLY C C 13 177.5 0.08 . 1 . . . . . . . . 5398 1 1051 . 1 1 90 90 GLY CA C 13 46.87 0.08 . 1 . . . . . . . . 5398 1 1052 . 1 1 90 90 GLY N N 15 107.7 0.08 . 1 . . . . . . . . 5398 1 1053 . 1 1 91 91 LYS HA H 1 3.368 0.02 . 1 . . . . . . . . 5398 1 1054 . 1 1 91 91 LYS H H 1 10.12 0.02 . 1 . . . . . . . . 5398 1 1055 . 1 1 91 91 LYS C C 13 179.0 0.08 . 1 . . . . . . . . 5398 1 1056 . 1 1 91 91 LYS CA C 13 60.47 0.08 . 1 . . . . . . . . 5398 1 1057 . 1 1 91 91 LYS CB C 13 30.62 0.08 . 1 . . . . . . . . 5398 1 1058 . 1 1 91 91 LYS N N 15 128.4 0.08 . 1 . . . . . . . . 5398 1 1059 . 1 1 92 92 ILE HA H 1 3.772 0.02 . 1 . . . . . . . . 5398 1 1060 . 1 1 92 92 ILE HB H 1 1.974 0.02 . 1 . . . . . . . . 5398 1 1061 . 1 1 92 92 ILE HD11 H 1 0.9013 0.02 . 1 . . . . . . . . 5398 1 1062 . 1 1 92 92 ILE HD12 H 1 0.9013 0.02 . 1 . . . . . . . . 5398 1 1063 . 1 1 92 92 ILE HD13 H 1 0.9013 0.02 . 1 . . . . . . . . 5398 1 1064 . 1 1 92 92 ILE H H 1 8.132 0.02 . 1 . . . . . . . . 5398 1 1065 . 1 1 92 92 ILE HG12 H 1 1.174 0.02 . 2 . . . . . . . . 5398 1 1066 . 1 1 92 92 ILE HG13 H 1 2.187 0.02 . 2 . . . . . . . . 5398 1 1067 . 1 1 92 92 ILE HG21 H 1 1.152 0.02 . 1 . . . . . . . . 5398 1 1068 . 1 1 92 92 ILE HG22 H 1 1.152 0.02 . 1 . . . . . . . . 5398 1 1069 . 1 1 92 92 ILE HG23 H 1 1.152 0.02 . 1 . . . . . . . . 5398 1 1070 . 1 1 92 92 ILE C C 13 178.3 0.08 . 1 . . . . . . . . 5398 1 1071 . 1 1 92 92 ILE CA C 13 65.65 0.08 . 1 . . . . . . . . 5398 1 1072 . 1 1 92 92 ILE CB C 13 38.26 0.08 . 1 . . . . . . . . 5398 1 1073 . 1 1 92 92 ILE CD1 C 13 14.24 0.08 . 1 . . . . . . . . 5398 1 1074 . 1 1 92 92 ILE CG1 C 13 29.96 0.08 . 2 . . . . . . . . 5398 1 1075 . 1 1 92 92 ILE CG2 C 13 18.57 0.08 . 2 . . . . . . . . 5398 1 1076 . 1 1 92 92 ILE N N 15 121.5 0.08 . 1 . . . . . . . . 5398 1 1077 . 1 1 93 93 GLN HA H 1 3.946 0.02 . 1 . . . . . . . . 5398 1 1078 . 1 1 93 93 GLN HB2 H 1 2.084 0.02 . 1 . . . . . . . . 5398 1 1079 . 1 1 93 93 GLN HB3 H 1 2.084 0.02 . 1 . . . . . . . . 5398 1 1080 . 1 1 93 93 GLN H H 1 8.827 0.02 . 1 . . . . . . . . 5398 1 1081 . 1 1 93 93 GLN HG2 H 1 2.481 0.02 . 2 . . . . . . . . 5398 1 1082 . 1 1 93 93 GLN HG3 H 1 2.668 0.02 . 2 . . . . . . . . 5398 1 1083 . 1 1 93 93 GLN C C 13 179.2 0.08 . 1 . . . . . . . . 5398 1 1084 . 1 1 93 93 GLN CA C 13 58.62 0.08 . 1 . . . . . . . . 5398 1 1085 . 1 1 93 93 GLN CB C 13 28.31 0.08 . 1 . . . . . . . . 5398 1 1086 . 1 1 93 93 GLN CG C 13 34.63 0.08 . 1 . . . . . . . . 5398 1 1087 . 1 1 93 93 GLN N N 15 116.7 0.08 . 1 . . . . . . . . 5398 1 1088 . 1 1 94 94 ALA HA H 1 4.056 0.02 . 1 . . . . . . . . 5398 1 1089 . 1 1 94 94 ALA HB1 H 1 1.648 0.02 . 1 . . . . . . . . 5398 1 1090 . 1 1 94 94 ALA HB2 H 1 1.648 0.02 . 1 . . . . . . . . 5398 1 1091 . 1 1 94 94 ALA HB3 H 1 1.648 0.02 . 1 . . . . . . . . 5398 1 1092 . 1 1 94 94 ALA H H 1 8.207 0.02 . 1 . . . . . . . . 5398 1 1093 . 1 1 94 94 ALA C C 13 178.9 0.08 . 1 . . . . . . . . 5398 1 1094 . 1 1 94 94 ALA CA C 13 54.46 0.08 . 1 . . . . . . . . 5398 1 1095 . 1 1 94 94 ALA CB C 13 19.18 0.08 . 1 . . . . . . . . 5398 1 1096 . 1 1 94 94 ALA N N 15 120.8 0.08 . 1 . . . . . . . . 5398 1 1097 . 1 1 95 95 ILE HA H 1 3.477 0.02 . 1 . . . . . . . . 5398 1 1098 . 1 1 95 95 ILE HB H 1 1.819 0.02 . 1 . . . . . . . . 5398 1 1099 . 1 1 95 95 ILE HD11 H 1 0.2169 0.02 . 1 . . . . . . . . 5398 1 1100 . 1 1 95 95 ILE HD12 H 1 0.2169 0.02 . 1 . . . . . . . . 5398 1 1101 . 1 1 95 95 ILE HD13 H 1 0.2169 0.02 . 1 . . . . . . . . 5398 1 1102 . 1 1 95 95 ILE H H 1 7.286 0.02 . 1 . . . . . . . . 5398 1 1103 . 1 1 95 95 ILE HG12 H 1 0.3995 0.02 . 2 . . . . . . . . 5398 1 1104 . 1 1 95 95 ILE HG13 H 1 1.934 0.02 . 2 . . . . . . . . 5398 1 1105 . 1 1 95 95 ILE HG21 H 1 0.5549 0.02 . 1 . . . . . . . . 5398 1 1106 . 1 1 95 95 ILE HG22 H 1 0.5549 0.02 . 1 . . . . . . . . 5398 1 1107 . 1 1 95 95 ILE HG23 H 1 0.5549 0.02 . 1 . . . . . . . . 5398 1 1108 . 1 1 95 95 ILE C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 1109 . 1 1 95 95 ILE CA C 13 66.94 0.08 . 1 . . . . . . . . 5398 1 1110 . 1 1 95 95 ILE CB C 13 36.93 0.08 . 1 . . . . . . . . 5398 1 1111 . 1 1 95 95 ILE CD1 C 13 12.41 0.08 . 1 . . . . . . . . 5398 1 1112 . 1 1 95 95 ILE CG1 C 13 30.29 0.08 . 2 . . . . . . . . 5398 1 1113 . 1 1 95 95 ILE CG2 C 13 17.33 0.08 . 2 . . . . . . . . 5398 1 1114 . 1 1 95 95 ILE N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 1115 . 1 1 96 96 ILE HA H 1 3.616 0.02 . 1 . . . . . . . . 5398 1 1116 . 1 1 96 96 ILE HB H 1 1.764 0.02 . 1 . . . . . . . . 5398 1 1117 . 1 1 96 96 ILE HD11 H 1 0.8316 0.02 . 1 . . . . . . . . 5398 1 1118 . 1 1 96 96 ILE HD12 H 1 0.8316 0.02 . 1 . . . . . . . . 5398 1 1119 . 1 1 96 96 ILE HD13 H 1 0.8316 0.02 . 1 . . . . . . . . 5398 1 1120 . 1 1 96 96 ILE H H 1 6.808 0.02 . 1 . . . . . . . . 5398 1 1121 . 1 1 96 96 ILE HG12 H 1 1.486 0.02 . 2 . . . . . . . . 5398 1 1122 . 1 1 96 96 ILE HG13 H 1 1.785 0.02 . 2 . . . . . . . . 5398 1 1123 . 1 1 96 96 ILE HG21 H 1 0.9468 0.02 . 1 . . . . . . . . 5398 1 1124 . 1 1 96 96 ILE HG22 H 1 0.9468 0.02 . 1 . . . . . . . . 5398 1 1125 . 1 1 96 96 ILE HG23 H 1 0.9468 0.02 . 1 . . . . . . . . 5398 1 1126 . 1 1 96 96 ILE C C 13 179.0 0.08 . 1 . . . . . . . . 5398 1 1127 . 1 1 96 96 ILE CA C 13 65.08 0.08 . 1 . . . . . . . . 5398 1 1128 . 1 1 96 96 ILE CB C 13 39.08 0.08 . 1 . . . . . . . . 5398 1 1129 . 1 1 96 96 ILE CD1 C 13 15.09 0.08 . 1 . . . . . . . . 5398 1 1130 . 1 1 96 96 ILE CG1 C 13 28.61 0.08 . 2 . . . . . . . . 5398 1 1131 . 1 1 96 96 ILE CG2 C 13 15.94 0.08 . 2 . . . . . . . . 5398 1 1132 . 1 1 96 96 ILE N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 1133 . 1 1 97 97 GLY HA2 H 1 3.687 0.02 . 2 . . . . . . . . 5398 1 1134 . 1 1 97 97 GLY HA3 H 1 4.022 0.02 . 2 . . . . . . . . 5398 1 1135 . 1 1 97 97 GLY H H 1 8.860 0.02 . 1 . . . . . . . . 5398 1 1136 . 1 1 97 97 GLY C C 13 177.9 0.08 . 1 . . . . . . . . 5398 1 1137 . 1 1 97 97 GLY CA C 13 47.08 0.08 . 1 . . . . . . . . 5398 1 1138 . 1 1 97 97 GLY N N 15 106.0 0.08 . 1 . . . . . . . . 5398 1 1139 . 1 1 98 98 ASN HA H 1 3.785 0.02 . 1 . . . . . . . . 5398 1 1140 . 1 1 98 98 ASN HB2 H 1 2.482 0.02 . 2 . . . . . . . . 5398 1 1141 . 1 1 98 98 ASN HB3 H 1 3.369 0.02 . 2 . . . . . . . . 5398 1 1142 . 1 1 98 98 ASN H H 1 9.148 0.02 . 1 . . . . . . . . 5398 1 1143 . 1 1 98 98 ASN C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 1144 . 1 1 98 98 ASN CA C 13 54.37 0.08 . 1 . . . . . . . . 5398 1 1145 . 1 1 98 98 ASN CB C 13 36.42 0.08 . 1 . . . . . . . . 5398 1 1146 . 1 1 98 98 ASN N N 15 123.6 0.08 . 1 . . . . . . . . 5398 1 1147 . 1 1 99 99 ALA HA H 1 3.614 0.02 . 1 . . . . . . . . 5398 1 1148 . 1 1 99 99 ALA HB1 H 1 1.637 0.02 . 1 . . . . . . . . 5398 1 1149 . 1 1 99 99 ALA HB2 H 1 1.637 0.02 . 1 . . . . . . . . 5398 1 1150 . 1 1 99 99 ALA HB3 H 1 1.637 0.02 . 1 . . . . . . . . 5398 1 1151 . 1 1 99 99 ALA H H 1 8.249 0.02 . 1 . . . . . . . . 5398 1 1152 . 1 1 99 99 ALA C C 13 178.9 0.08 . 1 . . . . . . . . 5398 1 1153 . 1 1 99 99 ALA CA C 13 55.31 0.08 . 1 . . . . . . . . 5398 1 1154 . 1 1 99 99 ALA CB C 13 18.31 0.08 . 1 . . . . . . . . 5398 1 1155 . 1 1 99 99 ALA N N 15 125.1 0.08 . 1 . . . . . . . . 5398 1 1156 . 1 1 100 100 ARG HA H 1 3.881 0.02 . 1 . . . . . . . . 5398 1 1157 . 1 1 100 100 ARG HB2 H 1 1.998 0.02 . 1 . . . . . . . . 5398 1 1158 . 1 1 100 100 ARG HB3 H 1 1.998 0.02 . 1 . . . . . . . . 5398 1 1159 . 1 1 100 100 ARG HE H 1 7.306 0.02 . 1 . . . . . . . . 5398 1 1160 . 1 1 100 100 ARG HD2 H 1 3.098 0.02 . 2 . . . . . . . . 5398 1 1161 . 1 1 100 100 ARG HD3 H 1 3.279 0.02 . 2 . . . . . . . . 5398 1 1162 . 1 1 100 100 ARG H H 1 7.701 0.02 . 1 . . . . . . . . 5398 1 1163 . 1 1 100 100 ARG HG2 H 1 1.839 0.02 . 1 . . . . . . . . 5398 1 1164 . 1 1 100 100 ARG HG3 H 1 1.839 0.02 . 1 . . . . . . . . 5398 1 1165 . 1 1 100 100 ARG C C 13 179.1 0.08 . 1 . . . . . . . . 5398 1 1166 . 1 1 100 100 ARG CA C 13 59.68 0.08 . 1 . . . . . . . . 5398 1 1167 . 1 1 100 100 ARG CB C 13 28.81 0.08 . 1 . . . . . . . . 5398 1 1168 . 1 1 100 100 ARG CD C 13 43.61 0.08 . 1 . . . . . . . . 5398 1 1169 . 1 1 100 100 ARG N N 15 117.3 0.08 . 1 . . . . . . . . 5398 1 1170 . 1 1 100 100 ARG NE N 15 85.00 0.08 . 1 . . . . . . . . 5398 1 1171 . 1 1 101 101 ALA HA H 1 4.079 0.02 . 1 . . . . . . . . 5398 1 1172 . 1 1 101 101 ALA HB1 H 1 0.8042 0.02 . 1 . . . . . . . . 5398 1 1173 . 1 1 101 101 ALA HB2 H 1 0.8042 0.02 . 1 . . . . . . . . 5398 1 1174 . 1 1 101 101 ALA HB3 H 1 0.8042 0.02 . 1 . . . . . . . . 5398 1 1175 . 1 1 101 101 ALA H H 1 8.087 0.02 . 1 . . . . . . . . 5398 1 1176 . 1 1 101 101 ALA C C 13 180.2 0.08 . 1 . . . . . . . . 5398 1 1177 . 1 1 101 101 ALA CA C 13 54.60 0.08 . 1 . . . . . . . . 5398 1 1178 . 1 1 101 101 ALA CB C 13 17.85 0.08 . 1 . . . . . . . . 5398 1 1179 . 1 1 101 101 ALA N N 15 124.3 0.08 . 1 . . . . . . . . 5398 1 1180 . 1 1 102 102 TYR HA H 1 4.070 0.02 . 1 . . . . . . . . 5398 1 1181 . 1 1 102 102 TYR HB2 H 1 2.550 0.02 . 2 . . . . . . . . 5398 1 1182 . 1 1 102 102 TYR HB3 H 1 3.184 0.02 . 2 . . . . . . . . 5398 1 1183 . 1 1 102 102 TYR HE1 H 1 6.646 0.02 . 1 . . . . . . . . 5398 1 1184 . 1 1 102 102 TYR HE2 H 1 6.646 0.02 . 1 . . . . . . . . 5398 1 1185 . 1 1 102 102 TYR HD1 H 1 6.222 0.02 . 1 . . . . . . . . 5398 1 1186 . 1 1 102 102 TYR HD2 H 1 6.222 0.02 . 1 . . . . . . . . 5398 1 1187 . 1 1 102 102 TYR H H 1 8.512 0.02 . 1 . . . . . . . . 5398 1 1188 . 1 1 102 102 TYR C C 13 177.8 0.08 . 1 . . . . . . . . 5398 1 1189 . 1 1 102 102 TYR CA C 13 60.97 0.08 . 1 . . . . . . . . 5398 1 1190 . 1 1 102 102 TYR CB C 13 38.22 0.08 . 1 . . . . . . . . 5398 1 1191 . 1 1 102 102 TYR CD1 C 13 131.5 0.08 . 1 . . . . . . . . 5398 1 1192 . 1 1 102 102 TYR CD2 C 13 131.5 0.08 . 1 . . . . . . . . 5398 1 1193 . 1 1 102 102 TYR CE1 C 13 117.6 0.08 . 1 . . . . . . . . 5398 1 1194 . 1 1 102 102 TYR CE2 C 13 117.6 0.08 . 1 . . . . . . . . 5398 1 1195 . 1 1 102 102 TYR N N 15 123.1 0.08 . 1 . . . . . . . . 5398 1 1196 . 1 1 103 103 LEU HA H 1 4.075 0.02 . 1 . . . . . . . . 5398 1 1197 . 1 1 103 103 LEU HB2 H 1 1.488 0.02 . 2 . . . . . . . . 5398 1 1198 . 1 1 103 103 LEU HB3 H 1 1.898 0.02 . 2 . . . . . . . . 5398 1 1199 . 1 1 103 103 LEU HD11 H 1 0.7882 0.02 . 2 . . . . . . . . 5398 1 1200 . 1 1 103 103 LEU HD12 H 1 0.7882 0.02 . 2 . . . . . . . . 5398 1 1201 . 1 1 103 103 LEU HD13 H 1 0.7882 0.02 . 2 . . . . . . . . 5398 1 1202 . 1 1 103 103 LEU HD21 H 1 0.9228 0.02 . 2 . . . . . . . . 5398 1 1203 . 1 1 103 103 LEU HD22 H 1 0.9228 0.02 . 2 . . . . . . . . 5398 1 1204 . 1 1 103 103 LEU HD23 H 1 0.9228 0.02 . 2 . . . . . . . . 5398 1 1205 . 1 1 103 103 LEU H H 1 8.207 0.02 . 1 . . . . . . . . 5398 1 1206 . 1 1 103 103 LEU HG H 1 1.908 0.02 . 1 . . . . . . . . 5398 1 1207 . 1 1 103 103 LEU C C 13 179.9 0.08 . 1 . . . . . . . . 5398 1 1208 . 1 1 103 103 LEU CA C 13 57.28 0.08 . 1 . . . . . . . . 5398 1 1209 . 1 1 103 103 LEU CB C 13 41.16 0.08 . 1 . . . . . . . . 5398 1 1210 . 1 1 103 103 LEU CD1 C 13 26.50 0.08 . 2 . . . . . . . . 5398 1 1211 . 1 1 103 103 LEU CD2 C 13 22.40 0.08 . 2 . . . . . . . . 5398 1 1212 . 1 1 103 103 LEU CG C 13 26.39 0.08 . 1 . . . . . . . . 5398 1 1213 . 1 1 103 103 LEU N N 15 120.5 0.08 . 1 . . . . . . . . 5398 1 1214 . 1 1 104 104 GLN HA H 1 4.021 0.02 . 1 . . . . . . . . 5398 1 1215 . 1 1 104 104 GLN HB2 H 1 2.183 0.02 . 1 . . . . . . . . 5398 1 1216 . 1 1 104 104 GLN HB3 H 1 2.183 0.02 . 1 . . . . . . . . 5398 1 1217 . 1 1 104 104 GLN H H 1 7.968 0.02 . 1 . . . . . . . . 5398 1 1218 . 1 1 104 104 GLN HG2 H 1 2.397 0.02 . 1 . . . . . . . . 5398 1 1219 . 1 1 104 104 GLN HG3 H 1 2.397 0.02 . 1 . . . . . . . . 5398 1 1220 . 1 1 104 104 GLN C C 13 178.7 0.08 . 1 . . . . . . . . 5398 1 1221 . 1 1 104 104 GLN CA C 13 58.60 0.08 . 1 . . . . . . . . 5398 1 1222 . 1 1 104 104 GLN CB C 13 28.14 0.08 . 1 . . . . . . . . 5398 1 1223 . 1 1 104 104 GLN CG C 13 33.83 0.08 . 1 . . . . . . . . 5398 1 1224 . 1 1 104 104 GLN N N 15 120.2 0.08 . 1 . . . . . . . . 5398 1 1225 . 1 1 105 105 MET HA H 1 4.099 0.02 . 1 . . . . . . . . 5398 1 1226 . 1 1 105 105 MET HB2 H 1 2.389 0.02 . 2 . . . . . . . . 5398 1 1227 . 1 1 105 105 MET HB3 H 1 2.714 0.02 . 2 . . . . . . . . 5398 1 1228 . 1 1 105 105 MET HE1 H 1 1.374 0.02 . 1 . . . . . . . . 5398 1 1229 . 1 1 105 105 MET HE2 H 1 1.374 0.02 . 1 . . . . . . . . 5398 1 1230 . 1 1 105 105 MET HE3 H 1 1.374 0.02 . 1 . . . . . . . . 5398 1 1231 . 1 1 105 105 MET H H 1 8.111 0.02 . 1 . . . . . . . . 5398 1 1232 . 1 1 105 105 MET HG2 H 1 2.701 0.02 . 2 . . . . . . . . 5398 1 1233 . 1 1 105 105 MET HG3 H 1 2.803 0.02 . 2 . . . . . . . . 5398 1 1234 . 1 1 105 105 MET C C 13 178.5 0.08 . 1 . . . . . . . . 5398 1 1235 . 1 1 105 105 MET CA C 13 59.50 0.08 . 1 . . . . . . . . 5398 1 1236 . 1 1 105 105 MET CB C 13 32.80 0.08 . 1 . . . . . . . . 5398 1 1237 . 1 1 105 105 MET CE C 13 14.95 0.08 . 1 . . . . . . . . 5398 1 1238 . 1 1 105 105 MET CG C 13 30.92 0.08 . 1 . . . . . . . . 5398 1 1239 . 1 1 105 105 MET N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 1240 . 1 1 106 106 GLU HA H 1 3.570 0.02 . 1 . . . . . . . . 5398 1 1241 . 1 1 106 106 GLU HB2 H 1 2.054 0.02 . 2 . . . . . . . . 5398 1 1242 . 1 1 106 106 GLU HB3 H 1 2.141 0.02 . 2 . . . . . . . . 5398 1 1243 . 1 1 106 106 GLU H H 1 7.868 0.02 . 1 . . . . . . . . 5398 1 1244 . 1 1 106 106 GLU HG2 H 1 2.077 0.02 . 2 . . . . . . . . 5398 1 1245 . 1 1 106 106 GLU HG3 H 1 2.172 0.02 . 2 . . . . . . . . 5398 1 1246 . 1 1 106 106 GLU C C 13 180.7 0.08 . 1 . . . . . . . . 5398 1 1247 . 1 1 106 106 GLU CA C 13 60.25 0.08 . 1 . . . . . . . . 5398 1 1248 . 1 1 106 106 GLU CB C 13 29.21 0.08 . 1 . . . . . . . . 5398 1 1249 . 1 1 106 106 GLU CG C 13 36.48 0.08 . 1 . . . . . . . . 5398 1 1250 . 1 1 106 106 GLU N N 15 120.3 0.08 . 1 . . . . . . . . 5398 1 1251 . 1 1 107 107 GLN HE21 H 1 6.830 0.02 . 2 . . . . . . . . 5398 1 1252 . 1 1 107 107 GLN HE22 H 1 7.504 0.02 . 2 . . . . . . . . 5398 1 1253 . 1 1 107 107 GLN HA H 1 4.116 0.02 . 1 . . . . . . . . 5398 1 1254 . 1 1 107 107 GLN HB2 H 1 2.175 0.02 . 1 . . . . . . . . 5398 1 1255 . 1 1 107 107 GLN HB3 H 1 2.175 0.02 . 1 . . . . . . . . 5398 1 1256 . 1 1 107 107 GLN H H 1 8.112 0.02 . 1 . . . . . . . . 5398 1 1257 . 1 1 107 107 GLN HG2 H 1 2.494 0.02 . 1 . . . . . . . . 5398 1 1258 . 1 1 107 107 GLN HG3 H 1 2.494 0.02 . 1 . . . . . . . . 5398 1 1259 . 1 1 107 107 GLN C C 13 176.7 0.08 . 1 . . . . . . . . 5398 1 1260 . 1 1 107 107 GLN CA C 13 57.69 0.08 . 1 . . . . . . . . 5398 1 1261 . 1 1 107 107 GLN CB C 13 28.15 0.08 . 1 . . . . . . . . 5398 1 1262 . 1 1 107 107 GLN CG C 13 33.69 0.08 . 1 . . . . . . . . 5398 1 1263 . 1 1 107 107 GLN N N 15 119.6 0.08 . 1 . . . . . . . . 5398 1 1264 . 1 1 108 108 ASN HA H 1 4.871 0.02 . 1 . . . . . . . . 5398 1 1265 . 1 1 108 108 ASN HB2 H 1 2.822 0.02 . 2 . . . . . . . . 5398 1 1266 . 1 1 108 108 ASN HB3 H 1 3.048 0.02 . 2 . . . . . . . . 5398 1 1267 . 1 1 108 108 ASN H H 1 7.700 0.02 . 1 . . . . . . . . 5398 1 1268 . 1 1 108 108 ASN C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 1269 . 1 1 108 108 ASN CA C 13 52.35 0.08 . 1 . . . . . . . . 5398 1 1270 . 1 1 108 108 ASN CB C 13 38.59 0.08 . 1 . . . . . . . . 5398 1 1271 . 1 1 108 108 ASN N N 15 117.3 0.08 . 1 . . . . . . . . 5398 1 1272 . 1 1 109 109 GLY HA2 H 1 3.824 0.02 . 2 . . . . . . . . 5398 1 1273 . 1 1 109 109 GLY HA3 H 1 4.143 0.02 . 2 . . . . . . . . 5398 1 1274 . 1 1 109 109 GLY H H 1 7.702 0.02 . 1 . . . . . . . . 5398 1 1275 . 1 1 109 109 GLY C C 13 173.8 0.08 . 1 . . . . . . . . 5398 1 1276 . 1 1 109 109 GLY CA C 13 45.92 0.08 . 1 . . . . . . . . 5398 1 1277 . 1 1 109 109 GLY N N 15 106.3 0.08 . 1 . . . . . . . . 5398 1 1278 . 1 1 110 110 GLU HA H 1 4.879 0.02 . 1 . . . . . . . . 5398 1 1279 . 1 1 110 110 GLU HB2 H 1 2.059 0.02 . 1 . . . . . . . . 5398 1 1280 . 1 1 110 110 GLU HB3 H 1 2.059 0.02 . 1 . . . . . . . . 5398 1 1281 . 1 1 110 110 GLU H H 1 8.249 0.02 . 1 . . . . . . . . 5398 1 1282 . 1 1 110 110 GLU HG2 H 1 2.054 0.02 . 1 . . . . . . . . 5398 1 1283 . 1 1 110 110 GLU HG3 H 1 2.054 0.02 . 1 . . . . . . . . 5398 1 1284 . 1 1 110 110 GLU C C 13 171.5 0.08 . 1 . . . . . . . . 5398 1 1285 . 1 1 110 110 GLU CA C 13 52.48 0.08 . 1 . . . . . . . . 5398 1 1286 . 1 1 110 110 GLU CB C 13 30.78 0.08 . 1 . . . . . . . . 5398 1 1287 . 1 1 110 110 GLU CG C 13 35.58 0.08 . 1 . . . . . . . . 5398 1 1288 . 1 1 110 110 GLU N N 15 120.4 0.08 . 1 . . . . . . . . 5398 1 1289 . 1 1 111 111 PRO HA H 1 4.379 0.02 . 1 . . . . . . . . 5398 1 1290 . 1 1 111 111 PRO HB2 H 1 2.435 0.02 . 1 . . . . . . . . 5398 1 1291 . 1 1 111 111 PRO HB3 H 1 2.435 0.02 . 1 . . . . . . . . 5398 1 1292 . 1 1 111 111 PRO HD2 H 1 3.575 0.02 . 2 . . . . . . . . 5398 1 1293 . 1 1 111 111 PRO HD3 H 1 3.756 0.02 . 2 . . . . . . . . 5398 1 1294 . 1 1 111 111 PRO HG2 H 1 2.016 0.02 . 2 . . . . . . . . 5398 1 1295 . 1 1 111 111 PRO HG3 H 1 2.138 0.02 . 2 . . . . . . . . 5398 1 1296 . 1 1 111 111 PRO C C 13 179.8 0.08 . 1 . . . . . . . . 5398 1 1297 . 1 1 111 111 PRO CA C 13 62.41 0.08 . 1 . . . . . . . . 5398 1 1298 . 1 1 111 111 PRO CB C 13 31.39 0.08 . 1 . . . . . . . . 5398 1 1299 . 1 1 111 111 PRO CD C 13 50.19 0.08 . 1 . . . . . . . . 5398 1 1300 . 1 1 111 111 PRO CG C 13 27.67 0.08 . 1 . . . . . . . . 5398 1 1301 . 1 1 112 112 PHE HZ H 1 6.749 0.02 . 1 . . . . . . . . 5398 1 1302 . 1 1 112 112 PHE HA H 1 4.117 0.02 . 1 . . . . . . . . 5398 1 1303 . 1 1 112 112 PHE HB2 H 1 3.020 0.02 . 2 . . . . . . . . 5398 1 1304 . 1 1 112 112 PHE HB3 H 1 3.368 0.02 . 2 . . . . . . . . 5398 1 1305 . 1 1 112 112 PHE HE1 H 1 7.060 0.02 . 1 . . . . . . . . 5398 1 1306 . 1 1 112 112 PHE HE2 H 1 7.060 0.02 . 1 . . . . . . . . 5398 1 1307 . 1 1 112 112 PHE HD1 H 1 7.583 0.02 . 1 . . . . . . . . 5398 1 1308 . 1 1 112 112 PHE HD2 H 1 7.583 0.02 . 1 . . . . . . . . 5398 1 1309 . 1 1 112 112 PHE H H 1 9.016 0.02 . 1 . . . . . . . . 5398 1 1310 . 1 1 112 112 PHE C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 1311 . 1 1 112 112 PHE CA C 13 63.47 0.08 . 1 . . . . . . . . 5398 1 1312 . 1 1 112 112 PHE CB C 13 41.82 0.08 . 1 . . . . . . . . 5398 1 1313 . 1 1 112 112 PHE CD1 C 13 131.4 0.08 . 1 . . . . . . . . 5398 1 1314 . 1 1 112 112 PHE CD2 C 13 131.4 0.08 . 1 . . . . . . . . 5398 1 1315 . 1 1 112 112 PHE CE1 C 13 130.1 0.08 . 1 . . . . . . . . 5398 1 1316 . 1 1 112 112 PHE CE2 C 13 130.1 0.08 . 1 . . . . . . . . 5398 1 1317 . 1 1 112 112 PHE CZ C 13 127.8 0.08 . 1 . . . . . . . . 5398 1 1318 . 1 1 112 112 PHE N N 15 126.9 0.08 . 1 . . . . . . . . 5398 1 1319 . 1 1 113 113 ALA HA H 1 4.234 0.02 . 1 . . . . . . . . 5398 1 1320 . 1 1 113 113 ALA HB1 H 1 1.572 0.02 . 1 . . . . . . . . 5398 1 1321 . 1 1 113 113 ALA HB2 H 1 1.572 0.02 . 1 . . . . . . . . 5398 1 1322 . 1 1 113 113 ALA HB3 H 1 1.572 0.02 . 1 . . . . . . . . 5398 1 1323 . 1 1 113 113 ALA H H 1 8.947 0.02 . 1 . . . . . . . . 5398 1 1324 . 1 1 113 113 ALA C C 13 179.2 0.08 . 1 . . . . . . . . 5398 1 1325 . 1 1 113 113 ALA CA C 13 55.45 0.08 . 1 . . . . . . . . 5398 1 1326 . 1 1 113 113 ALA CB C 13 19.08 0.08 . 1 . . . . . . . . 5398 1 1327 . 1 1 113 113 ALA N N 15 118.2 0.08 . 1 . . . . . . . . 5398 1 1328 . 1 1 114 114 ASP HA H 1 4.412 0.02 . 1 . . . . . . . . 5398 1 1329 . 1 1 114 114 ASP HB2 H 1 2.710 0.02 . 1 . . . . . . . . 5398 1 1330 . 1 1 114 114 ASP HB3 H 1 2.710 0.02 . 1 . . . . . . . . 5398 1 1331 . 1 1 114 114 ASP H H 1 7.469 0.02 . 1 . . . . . . . . 5398 1 1332 . 1 1 114 114 ASP C C 13 177.6 0.08 . 1 . . . . . . . . 5398 1 1333 . 1 1 114 114 ASP CA C 13 57.21 0.08 . 1 . . . . . . . . 5398 1 1334 . 1 1 114 114 ASP CB C 13 41.19 0.08 . 1 . . . . . . . . 5398 1 1335 . 1 1 114 114 ASP N N 15 116.1 0.08 . 1 . . . . . . . . 5398 1 1336 . 1 1 115 115 PHE HZ H 1 7.069 0.02 . 1 . . . . . . . . 5398 1 1337 . 1 1 115 115 PHE HA H 1 4.125 0.02 . 1 . . . . . . . . 5398 1 1338 . 1 1 115 115 PHE HB2 H 1 2.992 0.02 . 1 . . . . . . . . 5398 1 1339 . 1 1 115 115 PHE HB3 H 1 2.992 0.02 . 1 . . . . . . . . 5398 1 1340 . 1 1 115 115 PHE HE1 H 1 7.066 0.02 . 1 . . . . . . . . 5398 1 1341 . 1 1 115 115 PHE HE2 H 1 7.066 0.02 . 1 . . . . . . . . 5398 1 1342 . 1 1 115 115 PHE HD1 H 1 6.942 0.02 . 1 . . . . . . . . 5398 1 1343 . 1 1 115 115 PHE HD2 H 1 6.942 0.02 . 1 . . . . . . . . 5398 1 1344 . 1 1 115 115 PHE H H 1 8.225 0.02 . 1 . . . . . . . . 5398 1 1345 . 1 1 115 115 PHE C C 13 179.0 0.08 . 1 . . . . . . . . 5398 1 1346 . 1 1 115 115 PHE CA C 13 61.75 0.08 . 1 . . . . . . . . 5398 1 1347 . 1 1 115 115 PHE CB C 13 39.16 0.08 . 1 . . . . . . . . 5398 1 1348 . 1 1 115 115 PHE CD1 C 13 131.2 0.08 . 1 . . . . . . . . 5398 1 1349 . 1 1 115 115 PHE CD2 C 13 131.2 0.08 . 1 . . . . . . . . 5398 1 1350 . 1 1 115 115 PHE CZ C 13 128.0 0.08 . 1 . . . . . . . . 5398 1 1351 . 1 1 115 115 PHE N N 15 118.5 0.08 . 1 . . . . . . . . 5398 1 1352 . 1 1 116 116 VAL HA H 1 3.678 0.02 . 1 . . . . . . . . 5398 1 1353 . 1 1 116 116 VAL HB H 1 1.860 0.02 . 1 . . . . . . . . 5398 1 1354 . 1 1 116 116 VAL H H 1 8.718 0.02 . 1 . . . . . . . . 5398 1 1355 . 1 1 116 116 VAL HG11 H 1 0.4958 0.02 . 2 . . . . . . . . 5398 1 1356 . 1 1 116 116 VAL HG12 H 1 0.4958 0.02 . 2 . . . . . . . . 5398 1 1357 . 1 1 116 116 VAL HG13 H 1 0.4958 0.02 . 2 . . . . . . . . 5398 1 1358 . 1 1 116 116 VAL HG21 H 1 0.9471 0.02 . 2 . . . . . . . . 5398 1 1359 . 1 1 116 116 VAL HG22 H 1 0.9471 0.02 . 2 . . . . . . . . 5398 1 1360 . 1 1 116 116 VAL HG23 H 1 0.9471 0.02 . 2 . . . . . . . . 5398 1 1361 . 1 1 116 116 VAL C C 13 177.6 0.08 . 1 . . . . . . . . 5398 1 1362 . 1 1 116 116 VAL CA C 13 65.72 0.08 . 1 . . . . . . . . 5398 1 1363 . 1 1 116 116 VAL CB C 13 30.75 0.08 . 1 . . . . . . . . 5398 1 1364 . 1 1 116 116 VAL CG1 C 13 21.99 0.08 . 2 . . . . . . . . 5398 1 1365 . 1 1 116 116 VAL CG2 C 13 20.63 0.08 . 2 . . . . . . . . 5398 1 1366 . 1 1 116 116 VAL N N 15 115.1 0.08 . 1 . . . . . . . . 5398 1 1367 . 1 1 117 117 TRP HD1 H 1 7.590 0.02 . 1 . . . . . . . . 5398 1 1368 . 1 1 117 117 TRP HE1 H 1 10.36 0.02 . 1 . . . . . . . . 5398 1 1369 . 1 1 117 117 TRP HE3 H 1 7.025 0.02 . 1 . . . . . . . . 5398 1 1370 . 1 1 117 117 TRP HZ2 H 1 7.220 0.02 . 1 . . . . . . . . 5398 1 1371 . 1 1 117 117 TRP HZ3 H 1 6.473 0.02 . 1 . . . . . . . . 5398 1 1372 . 1 1 117 117 TRP HH2 H 1 6.913 0.02 . 1 . . . . . . . . 5398 1 1373 . 1 1 117 117 TRP HA H 1 3.826 0.02 . 1 . . . . . . . . 5398 1 1374 . 1 1 117 117 TRP HB2 H 1 2.833 0.02 . 2 . . . . . . . . 5398 1 1375 . 1 1 117 117 TRP HB3 H 1 3.254 0.02 . 2 . . . . . . . . 5398 1 1376 . 1 1 117 117 TRP H H 1 8.118 0.02 . 1 . . . . . . . . 5398 1 1377 . 1 1 117 117 TRP C C 13 179.4 0.08 . 1 . . . . . . . . 5398 1 1378 . 1 1 117 117 TRP CA C 13 60.89 0.08 . 1 . . . . . . . . 5398 1 1379 . 1 1 117 117 TRP CB C 13 28.32 0.08 . 1 . . . . . . . . 5398 1 1380 . 1 1 117 117 TRP CD1 C 13 125.4 0.08 . 1 . . . . . . . . 5398 1 1381 . 1 1 117 117 TRP CZ2 C 13 114.3 0.08 . 1 . . . . . . . . 5398 1 1382 . 1 1 117 117 TRP CZ3 C 13 119.6 0.08 . 1 . . . . . . . . 5398 1 1383 . 1 1 117 117 TRP N N 15 117.2 0.08 . 1 . . . . . . . . 5398 1 1384 . 1 1 117 117 TRP NE1 N 15 128.6 0.08 . 1 . . . . . . . . 5398 1 1385 . 1 1 118 118 SER HA H 1 3.421 0.02 . 1 . . . . . . . . 5398 1 1386 . 1 1 118 118 SER HB2 H 1 3.665 0.02 . 2 . . . . . . . . 5398 1 1387 . 1 1 118 118 SER HB3 H 1 3.986 0.02 . 2 . . . . . . . . 5398 1 1388 . 1 1 118 118 SER H H 1 7.903 0.02 . 1 . . . . . . . . 5398 1 1389 . 1 1 118 118 SER C C 13 176.7 0.08 . 1 . . . . . . . . 5398 1 1390 . 1 1 118 118 SER CA C 13 61.62 0.08 . 1 . . . . . . . . 5398 1 1391 . 1 1 118 118 SER CB C 13 61.86 0.08 . 1 . . . . . . . . 5398 1 1392 . 1 1 118 118 SER N N 15 118.6 0.08 . 1 . . . . . . . . 5398 1 1393 . 1 1 119 119 PHE HZ H 1 6.726 0.02 . 1 . . . . . . . . 5398 1 1394 . 1 1 119 119 PHE HA H 1 3.916 0.02 . 1 . . . . . . . . 5398 1 1395 . 1 1 119 119 PHE HB2 H 1 2.762 0.02 . 2 . . . . . . . . 5398 1 1396 . 1 1 119 119 PHE HB3 H 1 2.945 0.02 . 2 . . . . . . . . 5398 1 1397 . 1 1 119 119 PHE HE1 H 1 6.287 0.02 . 1 . . . . . . . . 5398 1 1398 . 1 1 119 119 PHE HE2 H 1 6.287 0.02 . 1 . . . . . . . . 5398 1 1399 . 1 1 119 119 PHE HD1 H 1 7.340 0.02 . 1 . . . . . . . . 5398 1 1400 . 1 1 119 119 PHE HD2 H 1 7.340 0.02 . 1 . . . . . . . . 5398 1 1401 . 1 1 119 119 PHE H H 1 7.388 0.02 . 1 . . . . . . . . 5398 1 1402 . 1 1 119 119 PHE C C 13 176.1 0.08 . 1 . . . . . . . . 5398 1 1403 . 1 1 119 119 PHE CA C 13 61.39 0.08 . 1 . . . . . . . . 5398 1 1404 . 1 1 119 119 PHE CB C 13 37.43 0.08 . 1 . . . . . . . . 5398 1 1405 . 1 1 119 119 PHE CD1 C 13 131.4 0.08 . 1 . . . . . . . . 5398 1 1406 . 1 1 119 119 PHE CD2 C 13 131.4 0.08 . 1 . . . . . . . . 5398 1 1407 . 1 1 119 119 PHE CE1 C 13 130.5 0.08 . 1 . . . . . . . . 5398 1 1408 . 1 1 119 119 PHE CE2 C 13 130.5 0.08 . 1 . . . . . . . . 5398 1 1409 . 1 1 119 119 PHE CZ C 13 128.6 0.08 . 1 . . . . . . . . 5398 1 1410 . 1 1 119 119 PHE N N 15 120.6 0.08 . 1 . . . . . . . . 5398 1 1411 . 1 1 120 120 VAL HA H 1 4.542 0.02 . 1 . . . . . . . . 5398 1 1412 . 1 1 120 120 VAL HB H 1 2.852 0.02 . 1 . . . . . . . . 5398 1 1413 . 1 1 120 120 VAL H H 1 7.040 0.02 . 1 . . . . . . . . 5398 1 1414 . 1 1 120 120 VAL HG11 H 1 0.5297 0.02 . 2 . . . . . . . . 5398 1 1415 . 1 1 120 120 VAL HG12 H 1 0.5297 0.02 . 2 . . . . . . . . 5398 1 1416 . 1 1 120 120 VAL HG13 H 1 0.5297 0.02 . 2 . . . . . . . . 5398 1 1417 . 1 1 120 120 VAL HG21 H 1 0.7516 0.02 . 2 . . . . . . . . 5398 1 1418 . 1 1 120 120 VAL HG22 H 1 0.7516 0.02 . 2 . . . . . . . . 5398 1 1419 . 1 1 120 120 VAL HG23 H 1 0.7516 0.02 . 2 . . . . . . . . 5398 1 1420 . 1 1 120 120 VAL C C 13 174.7 0.08 . 1 . . . . . . . . 5398 1 1421 . 1 1 120 120 VAL CA C 13 59.72 0.08 . 1 . . . . . . . . 5398 1 1422 . 1 1 120 120 VAL CB C 13 30.75 0.08 . 1 . . . . . . . . 5398 1 1423 . 1 1 120 120 VAL CG1 C 13 20.45 0.08 . 2 . . . . . . . . 5398 1 1424 . 1 1 120 120 VAL CG2 C 13 19.93 0.08 . 2 . . . . . . . . 5398 1 1425 . 1 1 120 120 VAL N N 15 109.1 0.08 . 1 . . . . . . . . 5398 1 1426 . 1 1 121 121 ASN HA H 1 4.290 0.02 . 1 . . . . . . . . 5398 1 1427 . 1 1 121 121 ASN HB2 H 1 2.756 0.02 . 2 . . . . . . . . 5398 1 1428 . 1 1 121 121 ASN HB3 H 1 3.089 0.02 . 2 . . . . . . . . 5398 1 1429 . 1 1 121 121 ASN H H 1 7.605 0.02 . 1 . . . . . . . . 5398 1 1430 . 1 1 121 121 ASN C C 13 174.5 0.08 . 1 . . . . . . . . 5398 1 1431 . 1 1 121 121 ASN CA C 13 54.47 0.08 . 1 . . . . . . . . 5398 1 1432 . 1 1 121 121 ASN CB C 13 36.83 0.08 . 1 . . . . . . . . 5398 1 1433 . 1 1 121 121 ASN N N 15 116.8 0.08 . 1 . . . . . . . . 5398 1 1434 . 1 1 122 122 HIS HA H 1 3.928 0.02 . 1 . . . . . . . . 5398 1 1435 . 1 1 122 122 HIS HB2 H 1 3.313 0.02 . 1 . . . . . . . . 5398 1 1436 . 1 1 122 122 HIS HB3 H 1 3.313 0.02 . 1 . . . . . . . . 5398 1 1437 . 1 1 122 122 HIS H H 1 8.324 0.02 . 1 . . . . . . . . 5398 1 1438 . 1 1 122 122 HIS C C 13 173.3 0.08 . 1 . . . . . . . . 5398 1 1439 . 1 1 122 122 HIS CA C 13 58.85 0.08 . 1 . . . . . . . . 5398 1 1440 . 1 1 122 122 HIS CB C 13 27.11 0.08 . 1 . . . . . . . . 5398 1 1441 . 1 1 122 122 HIS N N 15 105.8 0.08 . 1 . . . . . . . . 5398 1 1442 . 1 1 123 123 GLN HA H 1 5.015 0.02 . 1 . . . . . . . . 5398 1 1443 . 1 1 123 123 GLN HB2 H 1 1.947 0.02 . 2 . . . . . . . . 5398 1 1444 . 1 1 123 123 GLN HB3 H 1 2.069 0.02 . 2 . . . . . . . . 5398 1 1445 . 1 1 123 123 GLN H H 1 7.791 0.02 . 1 . . . . . . . . 5398 1 1446 . 1 1 123 123 GLN HG2 H 1 2.371 0.02 . 1 . . . . . . . . 5398 1 1447 . 1 1 123 123 GLN HG3 H 1 2.371 0.02 . 1 . . . . . . . . 5398 1 1448 . 1 1 123 123 GLN C C 13 171.8 0.08 . 1 . . . . . . . . 5398 1 1449 . 1 1 123 123 GLN CA C 13 52.53 0.08 . 1 . . . . . . . . 5398 1 1450 . 1 1 123 123 GLN CB C 13 31.41 0.08 . 1 . . . . . . . . 5398 1 1451 . 1 1 123 123 GLN CG C 13 32.87 0.08 . 1 . . . . . . . . 5398 1 1452 . 1 1 123 123 GLN N N 15 118.9 0.08 . 1 . . . . . . . . 5398 1 1453 . 1 1 124 124 PRO HA H 1 4.711 0.02 . 1 . . . . . . . . 5398 1 1454 . 1 1 124 124 PRO HB2 H 1 1.749 0.02 . 2 . . . . . . . . 5398 1 1455 . 1 1 124 124 PRO HB3 H 1 2.377 0.02 . 2 . . . . . . . . 5398 1 1456 . 1 1 124 124 PRO HD2 H 1 3.713 0.02 . 2 . . . . . . . . 5398 1 1457 . 1 1 124 124 PRO HD3 H 1 3.792 0.02 . 2 . . . . . . . . 5398 1 1458 . 1 1 124 124 PRO HG2 H 1 2.090 0.02 . 2 . . . . . . . . 5398 1 1459 . 1 1 124 124 PRO HG3 H 1 2.174 0.02 . 2 . . . . . . . . 5398 1 1460 . 1 1 124 124 PRO C C 13 177.8 0.08 . 1 . . . . . . . . 5398 1 1461 . 1 1 124 124 PRO CA C 13 62.60 0.08 . 1 . . . . . . . . 5398 1 1462 . 1 1 124 124 PRO CB C 13 31.73 0.08 . 1 . . . . . . . . 5398 1 1463 . 1 1 124 124 PRO CD C 13 50.36 0.08 . 1 . . . . . . . . 5398 1 1464 . 1 1 124 124 PRO CG C 13 27.49 0.08 . 1 . . . . . . . . 5398 1 1465 . 1 1 125 125 GLN HE21 H 1 6.966 0.02 . 2 . . . . . . . . 5398 1 1466 . 1 1 125 125 GLN HE22 H 1 7.802 0.02 . 2 . . . . . . . . 5398 1 1467 . 1 1 125 125 GLN HA H 1 4.470 0.02 . 1 . . . . . . . . 5398 1 1468 . 1 1 125 125 GLN HB2 H 1 2.093 0.02 . 1 . . . . . . . . 5398 1 1469 . 1 1 125 125 GLN HB3 H 1 2.093 0.02 . 1 . . . . . . . . 5398 1 1470 . 1 1 125 125 GLN H H 1 8.322 0.02 . 1 . . . . . . . . 5398 1 1471 . 1 1 125 125 GLN HG2 H 1 2.416 0.02 . 2 . . . . . . . . 5398 1 1472 . 1 1 125 125 GLN HG3 H 1 2.584 0.02 . 2 . . . . . . . . 5398 1 1473 . 1 1 125 125 GLN C C 13 175.8 0.08 . 1 . . . . . . . . 5398 1 1474 . 1 1 125 125 GLN CA C 13 54.00 0.08 . 1 . . . . . . . . 5398 1 1475 . 1 1 125 125 GLN CB C 13 28.99 0.08 . 1 . . . . . . . . 5398 1 1476 . 1 1 125 125 GLN CG C 13 32.96 0.08 . 1 . . . . . . . . 5398 1 1477 . 1 1 125 125 GLN N N 15 123.6 0.08 . 1 . . . . . . . . 5398 1 1478 . 1 1 125 125 GLN NE2 N 15 114.8 0.08 . 1 . . . . . . . . 5398 1 1479 . 1 1 126 126 MET HA H 1 4.873 0.02 . 1 . . . . . . . . 5398 1 1480 . 1 1 126 126 MET HB2 H 1 2.088 0.02 . 2 . . . . . . . . 5398 1 1481 . 1 1 126 126 MET HB3 H 1 2.265 0.02 . 2 . . . . . . . . 5398 1 1482 . 1 1 126 126 MET HE1 H 1 1.995 0.02 . 1 . . . . . . . . 5398 1 1483 . 1 1 126 126 MET HE2 H 1 1.995 0.02 . 1 . . . . . . . . 5398 1 1484 . 1 1 126 126 MET HE3 H 1 1.995 0.02 . 1 . . . . . . . . 5398 1 1485 . 1 1 126 126 MET H H 1 8.965 0.02 . 1 . . . . . . . . 5398 1 1486 . 1 1 126 126 MET HG2 H 1 2.551 0.02 . 2 . . . . . . . . 5398 1 1487 . 1 1 126 126 MET HG3 H 1 2.658 0.02 . 2 . . . . . . . . 5398 1 1488 . 1 1 126 126 MET C C 13 176.3 0.08 . 1 . . . . . . . . 5398 1 1489 . 1 1 126 126 MET CA C 13 54.49 0.08 . 1 . . . . . . . . 5398 1 1490 . 1 1 126 126 MET CB C 13 32.33 0.08 . 1 . . . . . . . . 5398 1 1491 . 1 1 126 126 MET CE C 13 17.08 0.08 . 1 . . . . . . . . 5398 1 1492 . 1 1 126 126 MET CG C 13 31.65 0.08 . 1 . . . . . . . . 5398 1 1493 . 1 1 126 126 MET N N 15 126.8 0.08 . 1 . . . . . . . . 5398 1 1494 . 1 1 127 127 THR HA H 1 4.362 0.02 . 1 . . . . . . . . 5398 1 1495 . 1 1 127 127 THR HB H 1 4.791 0.02 . 1 . . . . . . . . 5398 1 1496 . 1 1 127 127 THR H H 1 8.340 0.02 . 1 . . . . . . . . 5398 1 1497 . 1 1 127 127 THR HG21 H 1 1.339 0.02 . 1 . . . . . . . . 5398 1 1498 . 1 1 127 127 THR HG22 H 1 1.339 0.02 . 1 . . . . . . . . 5398 1 1499 . 1 1 127 127 THR HG23 H 1 1.339 0.02 . 1 . . . . . . . . 5398 1 1500 . 1 1 127 127 THR C C 13 174.2 0.08 . 1 . . . . . . . . 5398 1 1501 . 1 1 127 127 THR CA C 13 63.22 0.08 . 1 . . . . . . . . 5398 1 1502 . 1 1 127 127 THR CB C 13 68.07 0.08 . 1 . . . . . . . . 5398 1 1503 . 1 1 127 127 THR CG2 C 13 21.71 0.08 . 1 . . . . . . . . 5398 1 1504 . 1 1 127 127 THR N N 15 121.3 0.08 . 1 . . . . . . . . 5398 1 1505 . 1 1 128 128 GLN HE21 H 1 6.942 0.02 . 2 . . . . . . . . 5398 1 1506 . 1 1 128 128 GLN HE22 H 1 7.519 0.02 . 2 . . . . . . . . 5398 1 1507 . 1 1 128 128 GLN HA H 1 4.337 0.02 . 1 . . . . . . . . 5398 1 1508 . 1 1 128 128 GLN HB2 H 1 1.989 0.02 . 2 . . . . . . . . 5398 1 1509 . 1 1 128 128 GLN HB3 H 1 2.274 0.02 . 2 . . . . . . . . 5398 1 1510 . 1 1 128 128 GLN H H 1 8.746 0.02 . 1 . . . . . . . . 5398 1 1511 . 1 1 128 128 GLN HG2 H 1 2.373 0.02 . 1 . . . . . . . . 5398 1 1512 . 1 1 128 128 GLN HG3 H 1 2.373 0.02 . 1 . . . . . . . . 5398 1 1513 . 1 1 128 128 GLN C C 13 175.5 0.08 . 1 . . . . . . . . 5398 1 1514 . 1 1 128 128 GLN CA C 13 54.92 0.08 . 1 . . . . . . . . 5398 1 1515 . 1 1 128 128 GLN CB C 13 28.29 0.08 . 1 . . . . . . . . 5398 1 1516 . 1 1 128 128 GLN CG C 13 33.88 0.08 . 1 . . . . . . . . 5398 1 1517 . 1 1 128 128 GLN N N 15 121.1 0.08 . 1 . . . . . . . . 5398 1 1518 . 1 1 129 129 ALA HA H 1 4.261 0.02 . 1 . . . . . . . . 5398 1 1519 . 1 1 129 129 ALA HB1 H 1 1.463 0.02 . 1 . . . . . . . . 5398 1 1520 . 1 1 129 129 ALA HB2 H 1 1.463 0.02 . 1 . . . . . . . . 5398 1 1521 . 1 1 129 129 ALA HB3 H 1 1.463 0.02 . 1 . . . . . . . . 5398 1 1522 . 1 1 129 129 ALA H H 1 8.882 0.02 . 1 . . . . . . . . 5398 1 1523 . 1 1 129 129 ALA C C 13 177.1 0.08 . 1 . . . . . . . . 5398 1 1524 . 1 1 129 129 ALA CA C 13 52.78 0.08 . 1 . . . . . . . . 5398 1 1525 . 1 1 129 129 ALA CB C 13 20.66 0.08 . 1 . . . . . . . . 5398 1 1526 . 1 1 129 129 ALA N N 15 125.9 0.08 . 1 . . . . . . . . 5398 1 1527 . 1 1 130 130 THR HA H 1 4.426 0.02 . 1 . . . . . . . . 5398 1 1528 . 1 1 130 130 THR HB H 1 4.283 0.02 . 1 . . . . . . . . 5398 1 1529 . 1 1 130 130 THR H H 1 8.930 0.02 . 1 . . . . . . . . 5398 1 1530 . 1 1 130 130 THR HG21 H 1 1.244 0.02 . 1 . . . . . . . . 5398 1 1531 . 1 1 130 130 THR HG22 H 1 1.244 0.02 . 1 . . . . . . . . 5398 1 1532 . 1 1 130 130 THR HG23 H 1 1.244 0.02 . 1 . . . . . . . . 5398 1 1533 . 1 1 130 130 THR C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 1534 . 1 1 130 130 THR CA C 13 62.17 0.08 . 1 . . . . . . . . 5398 1 1535 . 1 1 130 130 THR CB C 13 69.72 0.08 . 1 . . . . . . . . 5398 1 1536 . 1 1 130 130 THR CG2 C 13 21.70 0.08 . 1 . . . . . . . . 5398 1 1537 . 1 1 130 130 THR N N 15 111.0 0.08 . 1 . . . . . . . . 5398 1 1538 . 1 1 131 131 THR HA H 1 4.766 0.02 . 1 . . . . . . . . 5398 1 1539 . 1 1 131 131 THR HB H 1 4.421 0.02 . 1 . . . . . . . . 5398 1 1540 . 1 1 131 131 THR H H 1 7.760 0.02 . 1 . . . . . . . . 5398 1 1541 . 1 1 131 131 THR HG21 H 1 1.197 0.02 . 1 . . . . . . . . 5398 1 1542 . 1 1 131 131 THR HG22 H 1 1.197 0.02 . 1 . . . . . . . . 5398 1 1543 . 1 1 131 131 THR HG23 H 1 1.197 0.02 . 1 . . . . . . . . 5398 1 1544 . 1 1 131 131 THR C C 13 174.3 0.08 . 1 . . . . . . . . 5398 1 1545 . 1 1 131 131 THR CA C 13 59.20 0.08 . 1 . . . . . . . . 5398 1 1546 . 1 1 131 131 THR CB C 13 71.31 0.08 . 1 . . . . . . . . 5398 1 1547 . 1 1 131 131 THR CG2 C 13 20.80 0.08 . 1 . . . . . . . . 5398 1 1548 . 1 1 131 131 THR N N 15 112.9 0.08 . 1 . . . . . . . . 5398 1 1549 . 1 1 132 132 LEU HA H 1 4.203 0.02 . 1 . . . . . . . . 5398 1 1550 . 1 1 132 132 LEU HB2 H 1 1.773 0.02 . 2 . . . . . . . . 5398 1 1551 . 1 1 132 132 LEU HB3 H 1 1.844 0.02 . 2 . . . . . . . . 5398 1 1552 . 1 1 132 132 LEU HD11 H 1 1.125 0.02 . 2 . . . . . . . . 5398 1 1553 . 1 1 132 132 LEU HD12 H 1 1.125 0.02 . 2 . . . . . . . . 5398 1 1554 . 1 1 132 132 LEU HD13 H 1 1.125 0.02 . 2 . . . . . . . . 5398 1 1555 . 1 1 132 132 LEU HD21 H 1 1.117 0.02 . 2 . . . . . . . . 5398 1 1556 . 1 1 132 132 LEU HD22 H 1 1.117 0.02 . 2 . . . . . . . . 5398 1 1557 . 1 1 132 132 LEU HD23 H 1 1.117 0.02 . 2 . . . . . . . . 5398 1 1558 . 1 1 132 132 LEU H H 1 8.606 0.02 . 1 . . . . . . . . 5398 1 1559 . 1 1 132 132 LEU HG H 1 1.933 0.02 . 1 . . . . . . . . 5398 1 1560 . 1 1 132 132 LEU C C 13 179.6 0.08 . 1 . . . . . . . . 5398 1 1561 . 1 1 132 132 LEU CA C 13 57.24 0.08 . 1 . . . . . . . . 5398 1 1562 . 1 1 132 132 LEU CB C 13 41.02 0.08 . 1 . . . . . . . . 5398 1 1563 . 1 1 132 132 LEU CD1 C 13 24.44 0.08 . 2 . . . . . . . . 5398 1 1564 . 1 1 132 132 LEU CD2 C 13 25.08 0.08 . 2 . . . . . . . . 5398 1 1565 . 1 1 132 132 LEU CG C 13 26.78 0.08 . 1 . . . . . . . . 5398 1 1566 . 1 1 132 132 LEU N N 15 121.9 0.08 . 1 . . . . . . . . 5398 1 1567 . 1 1 133 133 SER HA H 1 4.265 0.02 . 1 . . . . . . . . 5398 1 1568 . 1 1 133 133 SER HB2 H 1 3.941 0.02 . 1 . . . . . . . . 5398 1 1569 . 1 1 133 133 SER HB3 H 1 3.941 0.02 . 1 . . . . . . . . 5398 1 1570 . 1 1 133 133 SER H H 1 8.284 0.02 . 1 . . . . . . . . 5398 1 1571 . 1 1 133 133 SER C C 13 175.0 0.08 . 1 . . . . . . . . 5398 1 1572 . 1 1 133 133 SER CA C 13 60.21 0.08 . 1 . . . . . . . . 5398 1 1573 . 1 1 133 133 SER CB C 13 62.32 0.08 . 1 . . . . . . . . 5398 1 1574 . 1 1 133 133 SER N N 15 113.0 0.08 . 1 . . . . . . . . 5398 1 1575 . 1 1 134 134 GLU HA H 1 4.285 0.02 . 1 . . . . . . . . 5398 1 1576 . 1 1 134 134 GLU HB2 H 1 2.187 0.02 . 1 . . . . . . . . 5398 1 1577 . 1 1 134 134 GLU HB3 H 1 2.187 0.02 . 1 . . . . . . . . 5398 1 1578 . 1 1 134 134 GLU H H 1 7.450 0.02 . 1 . . . . . . . . 5398 1 1579 . 1 1 134 134 GLU HG2 H 1 2.270 0.02 . 1 . . . . . . . . 5398 1 1580 . 1 1 134 134 GLU HG3 H 1 2.270 0.02 . 1 . . . . . . . . 5398 1 1581 . 1 1 134 134 GLU C C 13 176.0 0.08 . 1 . . . . . . . . 5398 1 1582 . 1 1 134 134 GLU CA C 13 55.91 0.08 . 1 . . . . . . . . 5398 1 1583 . 1 1 134 134 GLU CB C 13 31.16 0.08 . 1 . . . . . . . . 5398 1 1584 . 1 1 134 134 GLU CG C 13 36.85 0.08 . 1 . . . . . . . . 5398 1 1585 . 1 1 134 134 GLU N N 15 119.2 0.08 . 1 . . . . . . . . 5398 1 1586 . 1 1 135 135 ILE HA H 1 4.390 0.02 . 1 . . . . . . . . 5398 1 1587 . 1 1 135 135 ILE HB H 1 2.172 0.02 . 1 . . . . . . . . 5398 1 1588 . 1 1 135 135 ILE HD11 H 1 1.058 0.02 . 1 . . . . . . . . 5398 1 1589 . 1 1 135 135 ILE HD12 H 1 1.058 0.02 . 1 . . . . . . . . 5398 1 1590 . 1 1 135 135 ILE HD13 H 1 1.058 0.02 . 1 . . . . . . . . 5398 1 1591 . 1 1 135 135 ILE H H 1 7.602 0.02 . 1 . . . . . . . . 5398 1 1592 . 1 1 135 135 ILE HG12 H 1 1.329 0.02 . 2 . . . . . . . . 5398 1 1593 . 1 1 135 135 ILE HG13 H 1 1.739 0.02 . 2 . . . . . . . . 5398 1 1594 . 1 1 135 135 ILE HG21 H 1 1.261 0.02 . 1 . . . . . . . . 5398 1 1595 . 1 1 135 135 ILE HG22 H 1 1.261 0.02 . 1 . . . . . . . . 5398 1 1596 . 1 1 135 135 ILE HG23 H 1 1.261 0.02 . 1 . . . . . . . . 5398 1 1597 . 1 1 135 135 ILE C C 13 174.6 0.08 . 1 . . . . . . . . 5398 1 1598 . 1 1 135 135 ILE CA C 13 57.80 0.08 . 1 . . . . . . . . 5398 1 1599 . 1 1 135 135 ILE CB C 13 37.55 0.08 . 1 . . . . . . . . 5398 1 1600 . 1 1 135 135 ILE CD1 C 13 12.80 0.08 . 1 . . . . . . . . 5398 1 1601 . 1 1 135 135 ILE CG1 C 13 27.42 0.08 . 2 . . . . . . . . 5398 1 1602 . 1 1 135 135 ILE CG2 C 13 16.32 0.08 . 2 . . . . . . . . 5398 1 1603 . 1 1 135 135 ILE N N 15 124.7 0.08 . 1 . . . . . . . . 5398 1 1604 . 1 1 136 136 PRO HA H 1 4.565 0.02 . 1 . . . . . . . . 5398 1 1605 . 1 1 136 136 PRO HB2 H 1 1.653 0.02 . 2 . . . . . . . . 5398 1 1606 . 1 1 136 136 PRO HB3 H 1 2.149 0.02 . 2 . . . . . . . . 5398 1 1607 . 1 1 136 136 PRO HD2 H 1 3.885 0.02 . 2 . . . . . . . . 5398 1 1608 . 1 1 136 136 PRO HD3 H 1 3.941 0.02 . 2 . . . . . . . . 5398 1 1609 . 1 1 136 136 PRO HG2 H 1 1.620 0.02 . 2 . . . . . . . . 5398 1 1610 . 1 1 136 136 PRO HG3 H 1 1.789 0.02 . 2 . . . . . . . . 5398 1 1611 . 1 1 136 136 PRO C C 13 174.8 0.08 . 1 . . . . . . . . 5398 1 1612 . 1 1 136 136 PRO CA C 13 62.32 0.08 . 1 . . . . . . . . 5398 1 1613 . 1 1 136 136 PRO CB C 13 32.58 0.08 . 1 . . . . . . . . 5398 1 1614 . 1 1 136 136 PRO CD C 13 50.73 0.08 . 1 . . . . . . . . 5398 1 1615 . 1 1 136 136 PRO CG C 13 26.23 0.08 . 1 . . . . . . . . 5398 1 1616 . 1 1 137 137 THR HA H 1 4.323 0.02 . 1 . . . . . . . . 5398 1 1617 . 1 1 137 137 THR HB H 1 4.303 0.02 . 1 . . . . . . . . 5398 1 1618 . 1 1 137 137 THR H H 1 8.460 0.02 . 1 . . . . . . . . 5398 1 1619 . 1 1 137 137 THR HG21 H 1 1.246 0.02 . 1 . . . . . . . . 5398 1 1620 . 1 1 137 137 THR HG22 H 1 1.246 0.02 . 1 . . . . . . . . 5398 1 1621 . 1 1 137 137 THR HG23 H 1 1.246 0.02 . 1 . . . . . . . . 5398 1 1622 . 1 1 137 137 THR C C 13 174.6 0.08 . 1 . . . . . . . . 5398 1 1623 . 1 1 137 137 THR CA C 13 61.38 0.08 . 1 . . . . . . . . 5398 1 1624 . 1 1 137 137 THR CB C 13 69.46 0.08 . 1 . . . . . . . . 5398 1 1625 . 1 1 137 137 THR CG2 C 13 22.00 0.08 . 1 . . . . . . . . 5398 1 1626 . 1 1 137 137 THR N N 15 104.8 0.08 . 1 . . . . . . . . 5398 1 1627 . 1 1 138 138 SER HA H 1 3.891 0.02 . 1 . . . . . . . . 5398 1 1628 . 1 1 138 138 SER HB2 H 1 3.752 0.02 . 1 . . . . . . . . 5398 1 1629 . 1 1 138 138 SER HB3 H 1 3.752 0.02 . 1 . . . . . . . . 5398 1 1630 . 1 1 138 138 SER H H 1 7.173 0.02 . 1 . . . . . . . . 5398 1 1631 . 1 1 138 138 SER C C 13 171.6 0.08 . 1 . . . . . . . . 5398 1 1632 . 1 1 138 138 SER CA C 13 57.59 0.08 . 1 . . . . . . . . 5398 1 1633 . 1 1 138 138 SER CB C 13 64.08 0.08 . 1 . . . . . . . . 5398 1 1634 . 1 1 138 138 SER N N 15 111.7 0.08 . 1 . . . . . . . . 5398 1 1635 . 1 1 139 139 THR HA H 1 4.751 0.02 . 1 . . . . . . . . 5398 1 1636 . 1 1 139 139 THR HB H 1 4.605 0.02 . 1 . . . . . . . . 5398 1 1637 . 1 1 139 139 THR H H 1 8.650 0.02 . 1 . . . . . . . . 5398 1 1638 . 1 1 139 139 THR HG21 H 1 0.7163 0.02 . 1 . . . . . . . . 5398 1 1639 . 1 1 139 139 THR HG22 H 1 0.7163 0.02 . 1 . . . . . . . . 5398 1 1640 . 1 1 139 139 THR HG23 H 1 0.7163 0.02 . 1 . . . . . . . . 5398 1 1641 . 1 1 139 139 THR C C 13 172.9 0.08 . 1 . . . . . . . . 5398 1 1642 . 1 1 139 139 THR CA C 13 58.67 0.08 . 1 . . . . . . . . 5398 1 1643 . 1 1 139 139 THR CB C 13 70.77 0.08 . 1 . . . . . . . . 5398 1 1644 . 1 1 139 139 THR CG2 C 13 23.06 0.08 . 1 . . . . . . . . 5398 1 1645 . 1 1 139 139 THR N N 15 110.5 0.08 . 1 . . . . . . . . 5398 1 1646 . 1 1 140 140 PRO HA H 1 4.342 0.02 . 1 . . . . . . . . 5398 1 1647 . 1 1 140 140 PRO HB2 H 1 2.425 0.02 . 1 . . . . . . . . 5398 1 1648 . 1 1 140 140 PRO HB3 H 1 2.425 0.02 . 1 . . . . . . . . 5398 1 1649 . 1 1 140 140 PRO HD2 H 1 3.759 0.02 . 2 . . . . . . . . 5398 1 1650 . 1 1 140 140 PRO HD3 H 1 3.840 0.02 . 2 . . . . . . . . 5398 1 1651 . 1 1 140 140 PRO HG2 H 1 2.004 0.02 . 2 . . . . . . . . 5398 1 1652 . 1 1 140 140 PRO C C 13 179.5 0.08 . 1 . . . . . . . . 5398 1 1653 . 1 1 140 140 PRO CA C 13 65.19 0.08 . 1 . . . . . . . . 5398 1 1654 . 1 1 140 140 PRO CB C 13 31.27 0.08 . 1 . . . . . . . . 5398 1 1655 . 1 1 140 140 PRO CD C 13 50.09 0.08 . 1 . . . . . . . . 5398 1 1656 . 1 1 140 140 PRO CG C 13 27.83 0.08 . 1 . . . . . . . . 5398 1 1657 . 1 1 141 141 ALA HA H 1 4.501 0.02 . 1 . . . . . . . . 5398 1 1658 . 1 1 141 141 ALA HB1 H 1 1.342 0.02 . 1 . . . . . . . . 5398 1 1659 . 1 1 141 141 ALA HB2 H 1 1.342 0.02 . 1 . . . . . . . . 5398 1 1660 . 1 1 141 141 ALA HB3 H 1 1.342 0.02 . 1 . . . . . . . . 5398 1 1661 . 1 1 141 141 ALA H H 1 7.887 0.02 . 1 . . . . . . . . 5398 1 1662 . 1 1 141 141 ALA C C 13 179.2 0.08 . 1 . . . . . . . . 5398 1 1663 . 1 1 141 141 ALA CA C 13 54.72 0.08 . 1 . . . . . . . . 5398 1 1664 . 1 1 141 141 ALA CB C 13 18.33 0.08 . 1 . . . . . . . . 5398 1 1665 . 1 1 141 141 ALA N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 1666 . 1 1 142 142 SER HA H 1 3.951 0.02 . 1 . . . . . . . . 5398 1 1667 . 1 1 142 142 SER HB2 H 1 4.349 0.02 . 1 . . . . . . . . 5398 1 1668 . 1 1 142 142 SER HB3 H 1 4.349 0.02 . 1 . . . . . . . . 5398 1 1669 . 1 1 142 142 SER H H 1 7.998 0.02 . 1 . . . . . . . . 5398 1 1670 . 1 1 142 142 SER C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 1671 . 1 1 142 142 SER CA C 13 62.38 0.08 . 1 . . . . . . . . 5398 1 1672 . 1 1 142 142 SER N N 15 117.2 0.08 . 1 . . . . . . . . 5398 1 1673 . 1 1 143 143 ASP HA H 1 4.186 0.02 . 1 . . . . . . . . 5398 1 1674 . 1 1 143 143 ASP HB2 H 1 2.632 0.02 . 2 . . . . . . . . 5398 1 1675 . 1 1 143 143 ASP HB3 H 1 2.997 0.02 . 2 . . . . . . . . 5398 1 1676 . 1 1 143 143 ASP H H 1 8.966 0.02 . 1 . . . . . . . . 5398 1 1677 . 1 1 143 143 ASP C C 13 178.5 0.08 . 1 . . . . . . . . 5398 1 1678 . 1 1 143 143 ASP CA C 13 56.87 0.08 . 1 . . . . . . . . 5398 1 1679 . 1 1 143 143 ASP CB C 13 39.88 0.08 . 1 . . . . . . . . 5398 1 1680 . 1 1 143 143 ASP N N 15 126.3 0.08 . 1 . . . . . . . . 5398 1 1681 . 1 1 144 144 ALA HA H 1 4.125 0.02 . 1 . . . . . . . . 5398 1 1682 . 1 1 144 144 ALA HB1 H 1 1.718 0.02 . 1 . . . . . . . . 5398 1 1683 . 1 1 144 144 ALA HB2 H 1 1.718 0.02 . 1 . . . . . . . . 5398 1 1684 . 1 1 144 144 ALA HB3 H 1 1.718 0.02 . 1 . . . . . . . . 5398 1 1685 . 1 1 144 144 ALA H H 1 7.953 0.02 . 1 . . . . . . . . 5398 1 1686 . 1 1 144 144 ALA C C 13 180.2 0.08 . 1 . . . . . . . . 5398 1 1687 . 1 1 144 144 ALA CA C 13 54.66 0.08 . 1 . . . . . . . . 5398 1 1688 . 1 1 144 144 ALA CB C 13 17.56 0.08 . 1 . . . . . . . . 5398 1 1689 . 1 1 144 144 ALA N N 15 123.3 0.08 . 1 . . . . . . . . 5398 1 1690 . 1 1 145 145 LEU HA H 1 2.726 0.02 . 1 . . . . . . . . 5398 1 1691 . 1 1 145 145 LEU HB2 H 1 1.403 0.02 . 1 . . . . . . . . 5398 1 1692 . 1 1 145 145 LEU HB3 H 1 1.403 0.02 . 1 . . . . . . . . 5398 1 1693 . 1 1 145 145 LEU HD11 H 1 0.2546 0.02 . 2 . . . . . . . . 5398 1 1694 . 1 1 145 145 LEU HD12 H 1 0.2546 0.02 . 2 . . . . . . . . 5398 1 1695 . 1 1 145 145 LEU HD13 H 1 0.2546 0.02 . 2 . . . . . . . . 5398 1 1696 . 1 1 145 145 LEU HD21 H 1 0.5584 0.02 . 2 . . . . . . . . 5398 1 1697 . 1 1 145 145 LEU HD22 H 1 0.5584 0.02 . 2 . . . . . . . . 5398 1 1698 . 1 1 145 145 LEU HD23 H 1 0.5584 0.02 . 2 . . . . . . . . 5398 1 1699 . 1 1 145 145 LEU H H 1 8.196 0.02 . 1 . . . . . . . . 5398 1 1700 . 1 1 145 145 LEU HG H 1 1.248 0.02 . 1 . . . . . . . . 5398 1 1701 . 1 1 145 145 LEU C C 13 176.9 0.08 . 1 . . . . . . . . 5398 1 1702 . 1 1 145 145 LEU CA C 13 57.22 0.08 . 1 . . . . . . . . 5398 1 1703 . 1 1 145 145 LEU CB C 13 40.49 0.08 . 1 . . . . . . . . 5398 1 1704 . 1 1 145 145 LEU CD1 C 13 23.05 0.08 . 2 . . . . . . . . 5398 1 1705 . 1 1 145 145 LEU CD2 C 13 25.47 0.08 . 2 . . . . . . . . 5398 1 1706 . 1 1 145 145 LEU CG C 13 26.35 0.08 . 1 . . . . . . . . 5398 1 1707 . 1 1 145 145 LEU N N 15 123.5 0.08 . 1 . . . . . . . . 5398 1 1708 . 1 1 146 146 SER HA H 1 4.015 0.02 . 1 . . . . . . . . 5398 1 1709 . 1 1 146 146 SER HB2 H 1 4.135 0.02 . 1 . . . . . . . . 5398 1 1710 . 1 1 146 146 SER HB3 H 1 4.135 0.02 . 1 . . . . . . . . 5398 1 1711 . 1 1 146 146 SER H H 1 8.241 0.02 . 1 . . . . . . . . 5398 1 1712 . 1 1 146 146 SER C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 1713 . 1 1 146 146 SER CA C 13 61.02 0.08 . 1 . . . . . . . . 5398 1 1714 . 1 1 146 146 SER CB C 13 63.12 0.08 . 1 . . . . . . . . 5398 1 1715 . 1 1 146 146 SER N N 15 112.9 0.08 . 1 . . . . . . . . 5398 1 1716 . 1 1 147 147 LYS HA H 1 3.865 0.02 . 1 . . . . . . . . 5398 1 1717 . 1 1 147 147 LYS HB2 H 1 1.907 0.02 . 1 . . . . . . . . 5398 1 1718 . 1 1 147 147 LYS HB3 H 1 1.907 0.02 . 1 . . . . . . . . 5398 1 1719 . 1 1 147 147 LYS HE2 H 1 2.983 0.02 . 1 . . . . . . . . 5398 1 1720 . 1 1 147 147 LYS HE3 H 1 2.983 0.02 . 1 . . . . . . . . 5398 1 1721 . 1 1 147 147 LYS HD2 H 1 1.667 0.02 . 1 . . . . . . . . 5398 1 1722 . 1 1 147 147 LYS HD3 H 1 1.667 0.02 . 1 . . . . . . . . 5398 1 1723 . 1 1 147 147 LYS H H 1 7.954 0.02 . 1 . . . . . . . . 5398 1 1724 . 1 1 147 147 LYS HG2 H 1 1.476 0.02 . 2 . . . . . . . . 5398 1 1725 . 1 1 147 147 LYS HG3 H 1 1.672 0.02 . 2 . . . . . . . . 5398 1 1726 . 1 1 147 147 LYS C C 13 179.4 0.08 . 1 . . . . . . . . 5398 1 1727 . 1 1 147 147 LYS CA C 13 59.65 0.08 . 1 . . . . . . . . 5398 1 1728 . 1 1 147 147 LYS CB C 13 32.68 0.08 . 1 . . . . . . . . 5398 1 1729 . 1 1 147 147 LYS CD C 13 28.24 0.08 . 1 . . . . . . . . 5398 1 1730 . 1 1 147 147 LYS CE C 13 41.80 0.08 . 1 . . . . . . . . 5398 1 1731 . 1 1 147 147 LYS CG C 13 25.14 0.08 . 1 . . . . . . . . 5398 1 1732 . 1 1 147 147 LYS N N 15 117.8 0.08 . 1 . . . . . . . . 5398 1 1733 . 1 1 148 148 ALA HA H 1 4.236 0.02 . 1 . . . . . . . . 5398 1 1734 . 1 1 148 148 ALA HB1 H 1 1.817 0.02 . 1 . . . . . . . . 5398 1 1735 . 1 1 148 148 ALA HB2 H 1 1.817 0.02 . 1 . . . . . . . . 5398 1 1736 . 1 1 148 148 ALA HB3 H 1 1.817 0.02 . 1 . . . . . . . . 5398 1 1737 . 1 1 148 148 ALA H H 1 7.984 0.02 . 1 . . . . . . . . 5398 1 1738 . 1 1 148 148 ALA C C 13 181.3 0.08 . 1 . . . . . . . . 5398 1 1739 . 1 1 148 148 ALA CA C 13 54.85 0.08 . 1 . . . . . . . . 5398 1 1740 . 1 1 148 148 ALA CB C 13 19.40 0.08 . 1 . . . . . . . . 5398 1 1741 . 1 1 148 148 ALA N N 15 121.5 0.08 . 1 . . . . . . . . 5398 1 1742 . 1 1 149 149 LEU HA H 1 4.072 0.02 . 1 . . . . . . . . 5398 1 1743 . 1 1 149 149 LEU HB2 H 1 1.752 0.02 . 1 . . . . . . . . 5398 1 1744 . 1 1 149 149 LEU HB3 H 1 1.752 0.02 . 1 . . . . . . . . 5398 1 1745 . 1 1 149 149 LEU HD11 H 1 0.06954 0.02 . 2 . . . . . . . . 5398 1 1746 . 1 1 149 149 LEU HD12 H 1 0.06954 0.02 . 2 . . . . . . . . 5398 1 1747 . 1 1 149 149 LEU HD13 H 1 0.06954 0.02 . 2 . . . . . . . . 5398 1 1748 . 1 1 149 149 LEU HD21 H 1 0.3447 0.02 . 2 . . . . . . . . 5398 1 1749 . 1 1 149 149 LEU HD22 H 1 0.3447 0.02 . 2 . . . . . . . . 5398 1 1750 . 1 1 149 149 LEU HD23 H 1 0.3447 0.02 . 2 . . . . . . . . 5398 1 1751 . 1 1 149 149 LEU H H 1 8.850 0.02 . 1 . . . . . . . . 5398 1 1752 . 1 1 149 149 LEU HG H 1 1.677 0.02 . 1 . . . . . . . . 5398 1 1753 . 1 1 149 149 LEU C C 13 180.2 0.08 . 1 . . . . . . . . 5398 1 1754 . 1 1 149 149 LEU CA C 13 57.24 0.08 . 1 . . . . . . . . 5398 1 1755 . 1 1 149 149 LEU CB C 13 40.23 0.08 . 1 . . . . . . . . 5398 1 1756 . 1 1 149 149 LEU CD1 C 13 21.26 0.08 . 2 . . . . . . . . 5398 1 1757 . 1 1 149 149 LEU CD2 C 13 25.84 0.08 . 2 . . . . . . . . 5398 1 1758 . 1 1 149 149 LEU CG C 13 25.88 0.08 . 1 . . . . . . . . 5398 1 1759 . 1 1 149 149 LEU N N 15 119.6 0.08 . 1 . . . . . . . . 5398 1 1760 . 1 1 150 150 LYS HA H 1 4.157 0.02 . 1 . . . . . . . . 5398 1 1761 . 1 1 150 150 LYS HB2 H 1 1.856 0.02 . 1 . . . . . . . . 5398 1 1762 . 1 1 150 150 LYS HB3 H 1 1.856 0.02 . 1 . . . . . . . . 5398 1 1763 . 1 1 150 150 LYS HE2 H 1 2.918 0.02 . 1 . . . . . . . . 5398 1 1764 . 1 1 150 150 LYS HE3 H 1 2.918 0.02 . 1 . . . . . . . . 5398 1 1765 . 1 1 150 150 LYS HD2 H 1 1.586 0.02 . 1 . . . . . . . . 5398 1 1766 . 1 1 150 150 LYS HD3 H 1 1.586 0.02 . 1 . . . . . . . . 5398 1 1767 . 1 1 150 150 LYS H H 1 8.941 0.02 . 1 . . . . . . . . 5398 1 1768 . 1 1 150 150 LYS HG2 H 1 1.303 0.02 . 2 . . . . . . . . 5398 1 1769 . 1 1 150 150 LYS HG3 H 1 1.656 0.02 . 2 . . . . . . . . 5398 1 1770 . 1 1 150 150 LYS C C 13 181.7 0.08 . 1 . . . . . . . . 5398 1 1771 . 1 1 150 150 LYS CA C 13 60.00 0.08 . 1 . . . . . . . . 5398 1 1772 . 1 1 150 150 LYS CB C 13 31.96 0.08 . 1 . . . . . . . . 5398 1 1773 . 1 1 150 150 LYS CD C 13 29.39 0.08 . 1 . . . . . . . . 5398 1 1774 . 1 1 150 150 LYS CE C 13 41.42 0.08 . 1 . . . . . . . . 5398 1 1775 . 1 1 150 150 LYS CG C 13 25.70 0.08 . 1 . . . . . . . . 5398 1 1776 . 1 1 150 150 LYS N N 15 123.1 0.08 . 1 . . . . . . . . 5398 1 1777 . 1 1 151 151 LYS HA H 1 4.140 0.02 . 1 . . . . . . . . 5398 1 1778 . 1 1 151 151 LYS HB2 H 1 2.025 0.02 . 2 . . . . . . . . 5398 1 1779 . 1 1 151 151 LYS HB3 H 1 2.094 0.02 . 2 . . . . . . . . 5398 1 1780 . 1 1 151 151 LYS HE2 H 1 3.030 0.02 . 2 . . . . . . . . 5398 1 1781 . 1 1 151 151 LYS HD2 H 1 1.755 0.02 . 2 . . . . . . . . 5398 1 1782 . 1 1 151 151 LYS HD3 H 1 1.786 0.02 . 2 . . . . . . . . 5398 1 1783 . 1 1 151 151 LYS H H 1 7.972 0.02 . 1 . . . . . . . . 5398 1 1784 . 1 1 151 151 LYS HG2 H 1 1.600 0.02 . 1 . . . . . . . . 5398 1 1785 . 1 1 151 151 LYS HG3 H 1 1.600 0.02 . 1 . . . . . . . . 5398 1 1786 . 1 1 151 151 LYS C C 13 177.8 0.08 . 1 . . . . . . . . 5398 1 1787 . 1 1 151 151 LYS CA C 13 58.68 0.08 . 1 . . . . . . . . 5398 1 1788 . 1 1 151 151 LYS CB C 13 32.13 0.08 . 1 . . . . . . . . 5398 1 1789 . 1 1 151 151 LYS CD C 13 29.14 0.08 . 1 . . . . . . . . 5398 1 1790 . 1 1 151 151 LYS CE C 13 41.77 0.08 . 1 . . . . . . . . 5398 1 1791 . 1 1 151 151 LYS CG C 13 24.65 0.08 . 1 . . . . . . . . 5398 1 1792 . 1 1 151 151 LYS N N 15 120.8 0.08 . 1 . . . . . . . . 5398 1 1793 . 1 1 152 152 ARG HA H 1 4.301 0.02 . 1 . . . . . . . . 5398 1 1794 . 1 1 152 152 ARG HB2 H 1 1.760 0.02 . 2 . . . . . . . . 5398 1 1795 . 1 1 152 152 ARG HB3 H 1 1.812 0.02 . 2 . . . . . . . . 5398 1 1796 . 1 1 152 152 ARG HE H 1 9.503 0.02 . 1 . . . . . . . . 5398 1 1797 . 1 1 152 152 ARG HD2 H 1 2.729 0.02 . 2 . . . . . . . . 5398 1 1798 . 1 1 152 152 ARG HD3 H 1 3.050 0.02 . 2 . . . . . . . . 5398 1 1799 . 1 1 152 152 ARG H H 1 7.135 0.02 . 1 . . . . . . . . 5398 1 1800 . 1 1 152 152 ARG C C 13 175.6 0.08 . 1 . . . . . . . . 5398 1 1801 . 1 1 152 152 ARG CA C 13 55.92 0.08 . 1 . . . . . . . . 5398 1 1802 . 1 1 152 152 ARG CB C 13 30.17 0.08 . 1 . . . . . . . . 5398 1 1803 . 1 1 152 152 ARG N N 15 116.4 0.08 . 1 . . . . . . . . 5398 1 1804 . 1 1 152 152 ARG NE N 15 89.04 0.08 . 1 . . . . . . . . 5398 1 1805 . 1 1 153 153 GLY HA2 H 1 3.779 0.02 . 1 . . . . . . . . 5398 1 1806 . 1 1 153 153 GLY HA3 H 1 3.779 0.02 . 1 . . . . . . . . 5398 1 1807 . 1 1 153 153 GLY H H 1 7.769 0.02 . 1 . . . . . . . . 5398 1 1808 . 1 1 153 153 GLY C C 13 175.1 0.08 . 1 . . . . . . . . 5398 1 1809 . 1 1 153 153 GLY CA C 13 45.07 0.08 . 1 . . . . . . . . 5398 1 1810 . 1 1 153 153 GLY N N 15 105.6 0.08 . 1 . . . . . . . . 5398 1 1811 . 1 1 154 154 PHE HZ H 1 7.097 0.02 . 1 . . . . . . . . 5398 1 1812 . 1 1 154 154 PHE HA H 1 4.499 0.02 . 1 . . . . . . . . 5398 1 1813 . 1 1 154 154 PHE HB2 H 1 2.665 0.02 . 2 . . . . . . . . 5398 1 1814 . 1 1 154 154 PHE HB3 H 1 2.675 0.02 . 2 . . . . . . . . 5398 1 1815 . 1 1 154 154 PHE HE1 H 1 7.264 0.02 . 1 . . . . . . . . 5398 1 1816 . 1 1 154 154 PHE HE2 H 1 7.264 0.02 . 1 . . . . . . . . 5398 1 1817 . 1 1 154 154 PHE HD1 H 1 7.194 0.02 . 1 . . . . . . . . 5398 1 1818 . 1 1 154 154 PHE HD2 H 1 7.194 0.02 . 1 . . . . . . . . 5398 1 1819 . 1 1 154 154 PHE H H 1 8.127 0.02 . 1 . . . . . . . . 5398 1 1820 . 1 1 154 154 PHE C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 1821 . 1 1 154 154 PHE CA C 13 57.97 0.08 . 1 . . . . . . . . 5398 1 1822 . 1 1 154 154 PHE CB C 13 41.02 0.08 . 1 . . . . . . . . 5398 1 1823 . 1 1 154 154 PHE CD1 C 13 130.7 0.08 . 1 . . . . . . . . 5398 1 1824 . 1 1 154 154 PHE CD2 C 13 130.7 0.08 . 1 . . . . . . . . 5398 1 1825 . 1 1 154 154 PHE CE1 C 13 130.9 0.08 . 1 . . . . . . . . 5398 1 1826 . 1 1 154 154 PHE CE2 C 13 130.9 0.08 . 1 . . . . . . . . 5398 1 1827 . 1 1 154 154 PHE N N 15 120.2 0.08 . 1 . . . . . . . . 5398 1 1828 . 1 1 155 155 LYS HA H 1 4.603 0.02 . 1 . . . . . . . . 5398 1 1829 . 1 1 155 155 LYS HB2 H 1 1.646 0.02 . 2 . . . . . . . . 5398 1 1830 . 1 1 155 155 LYS HB3 H 1 1.880 0.02 . 2 . . . . . . . . 5398 1 1831 . 1 1 155 155 LYS HE2 H 1 2.930 0.02 . 1 . . . . . . . . 5398 1 1832 . 1 1 155 155 LYS HE3 H 1 2.930 0.02 . 1 . . . . . . . . 5398 1 1833 . 1 1 155 155 LYS H H 1 9.306 0.02 . 1 . . . . . . . . 5398 1 1834 . 1 1 155 155 LYS HG2 H 1 1.369 0.02 . 2 . . . . . . . . 5398 1 1835 . 1 1 155 155 LYS HG3 H 1 1.466 0.02 . 2 . . . . . . . . 5398 1 1836 . 1 1 155 155 LYS C C 13 174.9 0.08 . 1 . . . . . . . . 5398 1 1837 . 1 1 155 155 LYS CA C 13 54.53 0.08 . 1 . . . . . . . . 5398 1 1838 . 1 1 155 155 LYS CB C 13 36.63 0.08 . 1 . . . . . . . . 5398 1 1839 . 1 1 155 155 LYS CG C 13 25.36 0.08 . 1 . . . . . . . . 5398 1 1840 . 1 1 155 155 LYS N N 15 120.7 0.08 . 1 . . . . . . . . 5398 1 1841 . 1 1 156 156 PHE HZ H 1 7.140 0.02 . 1 . . . . . . . . 5398 1 1842 . 1 1 156 156 PHE HA H 1 3.819 0.02 . 1 . . . . . . . . 5398 1 1843 . 1 1 156 156 PHE HB2 H 1 2.998 0.02 . 2 . . . . . . . . 5398 1 1844 . 1 1 156 156 PHE HB3 H 1 3.201 0.02 . 2 . . . . . . . . 5398 1 1845 . 1 1 156 156 PHE HE1 H 1 7.091 0.02 . 1 . . . . . . . . 5398 1 1846 . 1 1 156 156 PHE HE2 H 1 7.091 0.02 . 1 . . . . . . . . 5398 1 1847 . 1 1 156 156 PHE HD1 H 1 7.002 0.02 . 1 . . . . . . . . 5398 1 1848 . 1 1 156 156 PHE HD2 H 1 7.002 0.02 . 1 . . . . . . . . 5398 1 1849 . 1 1 156 156 PHE H H 1 8.421 0.02 . 1 . . . . . . . . 5398 1 1850 . 1 1 156 156 PHE C C 13 175.2 0.08 . 1 . . . . . . . . 5398 1 1851 . 1 1 156 156 PHE CA C 13 60.50 0.08 . 1 . . . . . . . . 5398 1 1852 . 1 1 156 156 PHE CB C 13 35.86 0.08 . 1 . . . . . . . . 5398 1 1853 . 1 1 156 156 PHE CD1 C 13 131.1 0.08 . 1 . . . . . . . . 5398 1 1854 . 1 1 156 156 PHE CD2 C 13 131.1 0.08 . 1 . . . . . . . . 5398 1 1855 . 1 1 156 156 PHE CE1 C 13 130.1 0.08 . 1 . . . . . . . . 5398 1 1856 . 1 1 156 156 PHE CE2 C 13 130.1 0.08 . 1 . . . . . . . . 5398 1 1857 . 1 1 156 156 PHE CZ C 13 128.4 0.08 . 1 . . . . . . . . 5398 1 1858 . 1 1 156 156 PHE N N 15 116.3 0.08 . 1 . . . . . . . . 5398 1 1859 . 1 1 157 157 VAL HA H 1 4.429 0.02 . 1 . . . . . . . . 5398 1 1860 . 1 1 157 157 VAL HB H 1 2.108 0.02 . 1 . . . . . . . . 5398 1 1861 . 1 1 157 157 VAL H H 1 8.041 0.02 . 1 . . . . . . . . 5398 1 1862 . 1 1 157 157 VAL HG11 H 1 0.4317 0.02 . 2 . . . . . . . . 5398 1 1863 . 1 1 157 157 VAL HG12 H 1 0.4317 0.02 . 2 . . . . . . . . 5398 1 1864 . 1 1 157 157 VAL HG13 H 1 0.4317 0.02 . 2 . . . . . . . . 5398 1 1865 . 1 1 157 157 VAL HG21 H 1 0.6811 0.02 . 2 . . . . . . . . 5398 1 1866 . 1 1 157 157 VAL HG22 H 1 0.6811 0.02 . 2 . . . . . . . . 5398 1 1867 . 1 1 157 157 VAL HG23 H 1 0.6811 0.02 . 2 . . . . . . . . 5398 1 1868 . 1 1 157 157 VAL C C 13 176.0 0.08 . 1 . . . . . . . . 5398 1 1869 . 1 1 157 157 VAL CA C 13 59.01 0.08 . 1 . . . . . . . . 5398 1 1870 . 1 1 157 157 VAL CB C 13 31.51 0.08 . 1 . . . . . . . . 5398 1 1871 . 1 1 157 157 VAL CG1 C 13 18.73 0.08 . 2 . . . . . . . . 5398 1 1872 . 1 1 157 157 VAL CG2 C 13 22.17 0.08 . 2 . . . . . . . . 5398 1 1873 . 1 1 157 157 VAL N N 15 107.4 0.08 . 1 . . . . . . . . 5398 1 1874 . 1 1 158 158 GLY HA2 H 1 3.944 0.02 . 1 . . . . . . . . 5398 1 1875 . 1 1 158 158 GLY HA3 H 1 3.944 0.02 . 1 . . . . . . . . 5398 1 1876 . 1 1 158 158 GLY H H 1 7.985 0.02 . 1 . . . . . . . . 5398 1 1877 . 1 1 158 158 GLY C C 13 174.8 0.08 . 1 . . . . . . . . 5398 1 1878 . 1 1 158 158 GLY CA C 13 45.51 0.08 . 1 . . . . . . . . 5398 1 1879 . 1 1 158 158 GLY N N 15 108.0 0.08 . 1 . . . . . . . . 5398 1 1880 . 1 1 159 159 THR HA H 1 4.144 0.02 . 1 . . . . . . . . 5398 1 1881 . 1 1 159 159 THR HB H 1 4.329 0.02 . 1 . . . . . . . . 5398 1 1882 . 1 1 159 159 THR H H 1 8.952 0.02 . 1 . . . . . . . . 5398 1 1883 . 1 1 159 159 THR HG21 H 1 1.338 0.02 . 1 . . . . . . . . 5398 1 1884 . 1 1 159 159 THR HG22 H 1 1.338 0.02 . 1 . . . . . . . . 5398 1 1885 . 1 1 159 159 THR HG23 H 1 1.338 0.02 . 1 . . . . . . . . 5398 1 1886 . 1 1 159 159 THR C C 13 175.3 0.08 . 1 . . . . . . . . 5398 1 1887 . 1 1 159 159 THR CA C 13 65.35 0.08 . 1 . . . . . . . . 5398 1 1888 . 1 1 159 159 THR CB C 13 69.11 0.08 . 1 . . . . . . . . 5398 1 1889 . 1 1 159 159 THR CG2 C 13 20.97 0.08 . 1 . . . . . . . . 5398 1 1890 . 1 1 159 159 THR N N 15 118.2 0.08 . 1 . . . . . . . . 5398 1 1891 . 1 1 160 160 THR HA H 1 4.555 0.02 . 1 . . . . . . . . 5398 1 1892 . 1 1 160 160 THR HB H 1 4.347 0.02 . 1 . . . . . . . . 5398 1 1893 . 1 1 160 160 THR H H 1 8.196 0.02 . 1 . . . . . . . . 5398 1 1894 . 1 1 160 160 THR HG21 H 1 1.293 0.02 . 1 . . . . . . . . 5398 1 1895 . 1 1 160 160 THR HG22 H 1 1.293 0.02 . 1 . . . . . . . . 5398 1 1896 . 1 1 160 160 THR HG23 H 1 1.293 0.02 . 1 . . . . . . . . 5398 1 1897 . 1 1 160 160 THR C C 13 177.8 0.08 . 1 . . . . . . . . 5398 1 1898 . 1 1 160 160 THR CA C 13 64.66 0.08 . 1 . . . . . . . . 5398 1 1899 . 1 1 160 160 THR CB C 13 67.54 0.08 . 1 . . . . . . . . 5398 1 1900 . 1 1 160 160 THR CG2 C 13 21.88 0.08 . 1 . . . . . . . . 5398 1 1901 . 1 1 160 160 THR N N 15 114.1 0.08 . 1 . . . . . . . . 5398 1 1902 . 1 1 161 161 ILE HA H 1 3.738 0.02 . 1 . . . . . . . . 5398 1 1903 . 1 1 161 161 ILE HB H 1 2.060 0.02 . 1 . . . . . . . . 5398 1 1904 . 1 1 161 161 ILE HD11 H 1 0.9115 0.02 . 1 . . . . . . . . 5398 1 1905 . 1 1 161 161 ILE HD12 H 1 0.9115 0.02 . 1 . . . . . . . . 5398 1 1906 . 1 1 161 161 ILE HD13 H 1 0.9115 0.02 . 1 . . . . . . . . 5398 1 1907 . 1 1 161 161 ILE H H 1 6.830 0.02 . 1 . . . . . . . . 5398 1 1908 . 1 1 161 161 ILE HG12 H 1 1.270 0.02 . 2 . . . . . . . . 5398 1 1909 . 1 1 161 161 ILE HG13 H 1 1.559 0.02 . 2 . . . . . . . . 5398 1 1910 . 1 1 161 161 ILE HG21 H 1 0.8860 0.02 . 1 . . . . . . . . 5398 1 1911 . 1 1 161 161 ILE HG22 H 1 0.8860 0.02 . 1 . . . . . . . . 5398 1 1912 . 1 1 161 161 ILE HG23 H 1 0.8860 0.02 . 1 . . . . . . . . 5398 1 1913 . 1 1 161 161 ILE C C 13 178.7 0.08 . 1 . . . . . . . . 5398 1 1914 . 1 1 161 161 ILE CA C 13 63.45 0.08 . 1 . . . . . . . . 5398 1 1915 . 1 1 161 161 ILE CB C 13 37.01 0.08 . 1 . . . . . . . . 5398 1 1916 . 1 1 161 161 ILE CD1 C 13 11.81 0.08 . 1 . . . . . . . . 5398 1 1917 . 1 1 161 161 ILE CG1 C 13 28.15 0.08 . 2 . . . . . . . . 5398 1 1918 . 1 1 161 161 ILE CG2 C 13 16.59 0.08 . 2 . . . . . . . . 5398 1 1919 . 1 1 161 161 ILE N N 15 126.1 0.08 . 1 . . . . . . . . 5398 1 1920 . 1 1 162 162 CYS HA H 1 3.885 0.02 . 1 . . . . . . . . 5398 1 1921 . 1 1 162 162 CYS HB2 H 1 2.324 0.02 . 2 . . . . . . . . 5398 1 1922 . 1 1 162 162 CYS HB3 H 1 3.155 0.02 . 2 . . . . . . . . 5398 1 1923 . 1 1 162 162 CYS H H 1 8.625 0.02 . 1 . . . . . . . . 5398 1 1924 . 1 1 162 162 CYS C C 13 176.7 0.08 . 1 . . . . . . . . 5398 1 1925 . 1 1 162 162 CYS CA C 13 64.92 0.08 . 1 . . . . . . . . 5398 1 1926 . 1 1 162 162 CYS CB C 13 26.61 0.08 . 1 . . . . . . . . 5398 1 1927 . 1 1 162 162 CYS N N 15 116.1 0.08 . 1 . . . . . . . . 5398 1 1928 . 1 1 163 163 TYR HA H 1 4.203 0.02 . 1 . . . . . . . . 5398 1 1929 . 1 1 163 163 TYR HB2 H 1 3.266 0.02 . 1 . . . . . . . . 5398 1 1930 . 1 1 163 163 TYR HB3 H 1 3.266 0.02 . 1 . . . . . . . . 5398 1 1931 . 1 1 163 163 TYR HE1 H 1 6.797 0.02 . 1 . . . . . . . . 5398 1 1932 . 1 1 163 163 TYR HE2 H 1 6.797 0.02 . 1 . . . . . . . . 5398 1 1933 . 1 1 163 163 TYR HD1 H 1 6.717 0.02 . 1 . . . . . . . . 5398 1 1934 . 1 1 163 163 TYR HD2 H 1 6.717 0.02 . 1 . . . . . . . . 5398 1 1935 . 1 1 163 163 TYR H H 1 8.935 0.02 . 1 . . . . . . . . 5398 1 1936 . 1 1 163 163 TYR C C 13 176.9 0.08 . 1 . . . . . . . . 5398 1 1937 . 1 1 163 163 TYR CA C 13 62.89 0.08 . 1 . . . . . . . . 5398 1 1938 . 1 1 163 163 TYR CB C 13 37.23 0.08 . 1 . . . . . . . . 5398 1 1939 . 1 1 163 163 TYR CD1 C 13 130.8 0.08 . 1 . . . . . . . . 5398 1 1940 . 1 1 163 163 TYR CD2 C 13 130.8 0.08 . 1 . . . . . . . . 5398 1 1941 . 1 1 163 163 TYR CE1 C 13 117.8 0.08 . 1 . . . . . . . . 5398 1 1942 . 1 1 163 163 TYR CE2 C 13 117.8 0.08 . 1 . . . . . . . . 5398 1 1943 . 1 1 163 163 TYR N N 15 122.8 0.08 . 1 . . . . . . . . 5398 1 1944 . 1 1 164 164 SER HA H 1 4.374 0.02 . 1 . . . . . . . . 5398 1 1945 . 1 1 164 164 SER HB2 H 1 3.741 0.02 . 2 . . . . . . . . 5398 1 1946 . 1 1 164 164 SER HB3 H 1 3.839 0.02 . 2 . . . . . . . . 5398 1 1947 . 1 1 164 164 SER H H 1 8.093 0.02 . 1 . . . . . . . . 5398 1 1948 . 1 1 164 164 SER C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 1949 . 1 1 164 164 SER CA C 13 61.93 0.08 . 1 . . . . . . . . 5398 1 1950 . 1 1 164 164 SER CB C 13 63.68 0.08 . 1 . . . . . . . . 5398 1 1951 . 1 1 164 164 SER N N 15 116.3 0.08 . 1 . . . . . . . . 5398 1 1952 . 1 1 165 165 PHE HA H 1 3.927 0.02 . 1 . . . . . . . . 5398 1 1953 . 1 1 165 165 PHE HB2 H 1 3.328 0.02 . 1 . . . . . . . . 5398 1 1954 . 1 1 165 165 PHE HB3 H 1 3.328 0.02 . 1 . . . . . . . . 5398 1 1955 . 1 1 165 165 PHE HE1 H 1 7.061 0.02 . 1 . . . . . . . . 5398 1 1956 . 1 1 165 165 PHE HE2 H 1 7.061 0.02 . 1 . . . . . . . . 5398 1 1957 . 1 1 165 165 PHE HD1 H 1 6.775 0.02 . 1 . . . . . . . . 5398 1 1958 . 1 1 165 165 PHE HD2 H 1 6.775 0.02 . 1 . . . . . . . . 5398 1 1959 . 1 1 165 165 PHE H H 1 8.248 0.02 . 1 . . . . . . . . 5398 1 1960 . 1 1 165 165 PHE C C 13 174.3 0.08 . 1 . . . . . . . . 5398 1 1961 . 1 1 165 165 PHE CA C 13 60.03 0.08 . 1 . . . . . . . . 5398 1 1962 . 1 1 165 165 PHE CB C 13 38.25 0.08 . 1 . . . . . . . . 5398 1 1963 . 1 1 165 165 PHE CE1 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 1964 . 1 1 165 165 PHE CE2 C 13 130.0 0.08 . 1 . . . . . . . . 5398 1 1965 . 1 1 165 165 PHE N N 15 122.4 0.08 . 1 . . . . . . . . 5398 1 1966 . 1 1 166 166 MET HA H 1 2.926 0.02 . 1 . . . . . . . . 5398 1 1967 . 1 1 166 166 MET HE1 H 1 1.617 0.02 . 1 . . . . . . . . 5398 1 1968 . 1 1 166 166 MET HE2 H 1 1.617 0.02 . 1 . . . . . . . . 5398 1 1969 . 1 1 166 166 MET HE3 H 1 1.617 0.02 . 1 . . . . . . . . 5398 1 1970 . 1 1 166 166 MET H H 1 8.320 0.02 . 1 . . . . . . . . 5398 1 1971 . 1 1 166 166 MET HG2 H 1 2.752 0.02 . 1 . . . . . . . . 5398 1 1972 . 1 1 166 166 MET HG3 H 1 2.752 0.02 . 1 . . . . . . . . 5398 1 1973 . 1 1 166 166 MET C C 13 177.9 0.08 . 1 . . . . . . . . 5398 1 1974 . 1 1 166 166 MET CA C 13 59.20 0.08 . 1 . . . . . . . . 5398 1 1975 . 1 1 166 166 MET CB C 13 32.38 0.08 . 1 . . . . . . . . 5398 1 1976 . 1 1 166 166 MET CE C 13 16.62 0.08 . 1 . . . . . . . . 5398 1 1977 . 1 1 166 166 MET N N 15 121.3 0.08 . 1 . . . . . . . . 5398 1 1978 . 1 1 167 167 GLN HA H 1 3.476 0.02 . 1 . . . . . . . . 5398 1 1979 . 1 1 167 167 GLN HB2 H 1 2.051 0.02 . 1 . . . . . . . . 5398 1 1980 . 1 1 167 167 GLN HB3 H 1 2.051 0.02 . 1 . . . . . . . . 5398 1 1981 . 1 1 167 167 GLN H H 1 7.857 0.02 . 1 . . . . . . . . 5398 1 1982 . 1 1 167 167 GLN C C 13 179.1 0.08 . 1 . . . . . . . . 5398 1 1983 . 1 1 167 167 GLN CA C 13 56.50 0.08 . 1 . . . . . . . . 5398 1 1984 . 1 1 167 167 GLN CB C 13 29.57 0.08 . 1 . . . . . . . . 5398 1 1985 . 1 1 167 167 GLN N N 15 116.6 0.08 . 1 . . . . . . . . 5398 1 1986 . 1 1 168 168 ALA HA H 1 3.377 0.02 . 1 . . . . . . . . 5398 1 1987 . 1 1 168 168 ALA HB1 H 1 1.366 0.02 . 1 . . . . . . . . 5398 1 1988 . 1 1 168 168 ALA HB2 H 1 1.366 0.02 . 1 . . . . . . . . 5398 1 1989 . 1 1 168 168 ALA HB3 H 1 1.366 0.02 . 1 . . . . . . . . 5398 1 1990 . 1 1 168 168 ALA H H 1 7.832 0.02 . 1 . . . . . . . . 5398 1 1991 . 1 1 168 168 ALA C C 13 180.6 0.08 . 1 . . . . . . . . 5398 1 1992 . 1 1 168 168 ALA CA C 13 55.17 0.08 . 1 . . . . . . . . 5398 1 1993 . 1 1 168 168 ALA CB C 13 18.64 0.08 . 1 . . . . . . . . 5398 1 1994 . 1 1 168 168 ALA N N 15 121.6 0.08 . 1 . . . . . . . . 5398 1 1995 . 1 1 169 169 CYS HA H 1 4.394 0.02 . 1 . . . . . . . . 5398 1 1996 . 1 1 169 169 CYS HB2 H 1 2.902 0.02 . 1 . . . . . . . . 5398 1 1997 . 1 1 169 169 CYS HB3 H 1 2.902 0.02 . 1 . . . . . . . . 5398 1 1998 . 1 1 169 169 CYS H H 1 7.546 0.02 . 1 . . . . . . . . 5398 1 1999 . 1 1 169 169 CYS C C 13 172.2 0.08 . 1 . . . . . . . . 5398 1 2000 . 1 1 169 169 CYS CA C 13 58.81 0.08 . 1 . . . . . . . . 5398 1 2001 . 1 1 169 169 CYS CB C 13 27.68 0.08 . 1 . . . . . . . . 5398 1 2002 . 1 1 169 169 CYS N N 15 111.8 0.08 . 1 . . . . . . . . 5398 1 2003 . 1 1 170 170 GLY HA2 H 1 2.959 0.02 . 2 . . . . . . . . 5398 1 2004 . 1 1 170 170 GLY HA3 H 1 3.107 0.02 . 2 . . . . . . . . 5398 1 2005 . 1 1 170 170 GLY H H 1 6.781 0.02 . 1 . . . . . . . . 5398 1 2006 . 1 1 170 170 GLY C C 13 173.4 0.08 . 1 . . . . . . . . 5398 1 2007 . 1 1 170 170 GLY CA C 13 46.10 0.08 . 1 . . . . . . . . 5398 1 2008 . 1 1 170 170 GLY N N 15 103.3 0.08 . 1 . . . . . . . . 5398 1 2009 . 1 1 171 171 LEU HD11 H 1 -0.3695 0.02 . 2 . . . . . . . . 5398 1 2010 . 1 1 171 171 LEU HD12 H 1 -0.3695 0.02 . 2 . . . . . . . . 5398 1 2011 . 1 1 171 171 LEU HD13 H 1 -0.3695 0.02 . 2 . . . . . . . . 5398 1 2012 . 1 1 171 171 LEU HD21 H 1 -0.07597 0.02 . 2 . . . . . . . . 5398 1 2013 . 1 1 171 171 LEU HD22 H 1 -0.07597 0.02 . 2 . . . . . . . . 5398 1 2014 . 1 1 171 171 LEU HD23 H 1 -0.07597 0.02 . 2 . . . . . . . . 5398 1 2015 . 1 1 171 171 LEU HA H 1 3.321 0.02 . 1 . . . . . . . . 5398 1 2016 . 1 1 171 171 LEU HB2 H 1 0.5210 0.02 . 2 . . . . . . . . 5398 1 2017 . 1 1 171 171 LEU HB3 H 1 1.034 0.02 . 2 . . . . . . . . 5398 1 2018 . 1 1 171 171 LEU H H 1 7.449 0.02 . 1 . . . . . . . . 5398 1 2019 . 1 1 171 171 LEU HG H 1 -1.034 0.02 . 1 . . . . . . . . 5398 1 2020 . 1 1 171 171 LEU C C 13 177.0 0.08 . 1 . . . . . . . . 5398 1 2021 . 1 1 171 171 LEU CA C 13 59.75 0.08 . 1 . . . . . . . . 5398 1 2022 . 1 1 171 171 LEU CB C 13 40.42 0.08 . 1 . . . . . . . . 5398 1 2023 . 1 1 171 171 LEU CD1 C 13 23.88 0.08 . 2 . . . . . . . . 5398 1 2024 . 1 1 171 171 LEU CD2 C 13 27.68 0.08 . 2 . . . . . . . . 5398 1 2025 . 1 1 171 171 LEU CG C 13 29.65 0.08 . 1 . . . . . . . . 5398 1 2026 . 1 1 171 171 LEU N N 15 122.0 0.08 . 1 . . . . . . . . 5398 1 2027 . 1 1 172 172 VAL HA H 1 4.234 0.02 . 1 . . . . . . . . 5398 1 2028 . 1 1 172 172 VAL HB H 1 1.714 0.02 . 1 . . . . . . . . 5398 1 2029 . 1 1 172 172 VAL H H 1 6.690 0.02 . 1 . . . . . . . . 5398 1 2030 . 1 1 172 172 VAL HG11 H 1 0.2051 0.02 . 2 . . . . . . . . 5398 1 2031 . 1 1 172 172 VAL HG12 H 1 0.2051 0.02 . 2 . . . . . . . . 5398 1 2032 . 1 1 172 172 VAL HG13 H 1 0.2051 0.02 . 2 . . . . . . . . 5398 1 2033 . 1 1 172 172 VAL HG21 H 1 0.6827 0.02 . 2 . . . . . . . . 5398 1 2034 . 1 1 172 172 VAL HG22 H 1 0.6827 0.02 . 2 . . . . . . . . 5398 1 2035 . 1 1 172 172 VAL HG23 H 1 0.6827 0.02 . 2 . . . . . . . . 5398 1 2036 . 1 1 172 172 VAL C C 13 173.0 0.08 . 1 . . . . . . . . 5398 1 2037 . 1 1 172 172 VAL CA C 13 58.48 0.08 . 1 . . . . . . . . 5398 1 2038 . 1 1 172 172 VAL CB C 13 33.53 0.08 . 1 . . . . . . . . 5398 1 2039 . 1 1 172 172 VAL CG1 C 13 19.61 0.08 . 2 . . . . . . . . 5398 1 2040 . 1 1 172 172 VAL CG2 C 13 21.21 0.08 . 2 . . . . . . . . 5398 1 2041 . 1 1 172 172 VAL N N 15 108.2 0.08 . 1 . . . . . . . . 5398 1 2042 . 1 1 173 173 ASN HA H 1 4.632 0.02 . 1 . . . . . . . . 5398 1 2043 . 1 1 173 173 ASN HB2 H 1 2.699 0.02 . 2 . . . . . . . . 5398 1 2044 . 1 1 173 173 ASN HB3 H 1 3.094 0.02 . 2 . . . . . . . . 5398 1 2045 . 1 1 173 173 ASN H H 1 8.094 0.02 . 1 . . . . . . . . 5398 1 2046 . 1 1 173 173 ASN C C 13 174.7 0.08 . 1 . . . . . . . . 5398 1 2047 . 1 1 173 173 ASN CA C 13 51.05 0.08 . 1 . . . . . . . . 5398 1 2048 . 1 1 173 173 ASN CB C 13 38.62 0.08 . 1 . . . . . . . . 5398 1 2049 . 1 1 173 173 ASN N N 15 119.3 0.08 . 1 . . . . . . . . 5398 1 2050 . 1 1 174 174 ASP HA H 1 5.344 0.02 . 1 . . . . . . . . 5398 1 2051 . 1 1 174 174 ASP HB2 H 1 2.197 0.02 . 2 . . . . . . . . 5398 1 2052 . 1 1 174 174 ASP HB3 H 1 3.489 0.02 . 2 . . . . . . . . 5398 1 2053 . 1 1 174 174 ASP H H 1 8.427 0.02 . 1 . . . . . . . . 5398 1 2054 . 1 1 174 174 ASP C C 13 177.2 0.08 . 1 . . . . . . . . 5398 1 2055 . 1 1 174 174 ASP CA C 13 52.80 0.08 . 1 . . . . . . . . 5398 1 2056 . 1 1 174 174 ASP CB C 13 41.11 0.08 . 1 . . . . . . . . 5398 1 2057 . 1 1 174 174 ASP N N 15 123.9 0.08 . 1 . . . . . . . . 5398 1 2058 . 1 1 175 175 HIS HA H 1 4.888 0.02 . 1 . . . . . . . . 5398 1 2059 . 1 1 175 175 HIS HB2 H 1 2.845 0.02 . 2 . . . . . . . . 5398 1 2060 . 1 1 175 175 HIS HB3 H 1 3.360 0.02 . 2 . . . . . . . . 5398 1 2061 . 1 1 175 175 HIS H H 1 7.895 0.02 . 1 . . . . . . . . 5398 1 2062 . 1 1 175 175 HIS C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 2063 . 1 1 175 175 HIS CA C 13 57.91 0.08 . 1 . . . . . . . . 5398 1 2064 . 1 1 175 175 HIS CB C 13 30.35 0.08 . 1 . . . . . . . . 5398 1 2065 . 1 1 175 175 HIS N N 15 117.8 0.08 . 1 . . . . . . . . 5398 1 2066 . 1 1 176 176 VAL HA H 1 4.325 0.02 . 1 . . . . . . . . 5398 1 2067 . 1 1 176 176 VAL HB H 1 2.158 0.02 . 1 . . . . . . . . 5398 1 2068 . 1 1 176 176 VAL H H 1 7.408 0.02 . 1 . . . . . . . . 5398 1 2069 . 1 1 176 176 VAL HG11 H 1 0.9684 0.02 . 2 . . . . . . . . 5398 1 2070 . 1 1 176 176 VAL HG12 H 1 0.9684 0.02 . 2 . . . . . . . . 5398 1 2071 . 1 1 176 176 VAL HG13 H 1 0.9684 0.02 . 2 . . . . . . . . 5398 1 2072 . 1 1 176 176 VAL HG21 H 1 1.063 0.02 . 2 . . . . . . . . 5398 1 2073 . 1 1 176 176 VAL HG22 H 1 1.063 0.02 . 2 . . . . . . . . 5398 1 2074 . 1 1 176 176 VAL HG23 H 1 1.063 0.02 . 2 . . . . . . . . 5398 1 2075 . 1 1 176 176 VAL C C 13 177.1 0.08 . 1 . . . . . . . . 5398 1 2076 . 1 1 176 176 VAL CA C 13 60.66 0.08 . 1 . . . . . . . . 5398 1 2077 . 1 1 176 176 VAL CB C 13 33.27 0.08 . 1 . . . . . . . . 5398 1 2078 . 1 1 176 176 VAL CG1 C 13 22.12 0.08 . 2 . . . . . . . . 5398 1 2079 . 1 1 176 176 VAL CG2 C 13 19.38 0.08 . 2 . . . . . . . . 5398 1 2080 . 1 1 176 176 VAL N N 15 116.9 0.08 . 1 . . . . . . . . 5398 1 2081 . 1 1 177 177 VAL HA H 1 2.122 0.02 . 1 . . . . . . . . 5398 1 2082 . 1 1 177 177 VAL HB H 1 1.530 0.02 . 1 . . . . . . . . 5398 1 2083 . 1 1 177 177 VAL HG11 H 1 0.5754 0.02 . 2 . . . . . . . . 5398 1 2084 . 1 1 177 177 VAL HG12 H 1 0.5754 0.02 . 2 . . . . . . . . 5398 1 2085 . 1 1 177 177 VAL HG13 H 1 0.5754 0.02 . 2 . . . . . . . . 5398 1 2086 . 1 1 177 177 VAL HG21 H 1 0.6213 0.02 . 2 . . . . . . . . 5398 1 2087 . 1 1 177 177 VAL HG22 H 1 0.6213 0.02 . 2 . . . . . . . . 5398 1 2088 . 1 1 177 177 VAL HG23 H 1 0.6213 0.02 . 2 . . . . . . . . 5398 1 2089 . 1 1 177 177 VAL C C 13 176.7 0.08 . 1 . . . . . . . . 5398 1 2090 . 1 1 177 177 VAL CA C 13 64.15 0.08 . 1 . . . . . . . . 5398 1 2091 . 1 1 177 177 VAL CB C 13 31.27 0.08 . 1 . . . . . . . . 5398 1 2092 . 1 1 177 177 VAL CG1 C 13 20.42 0.08 . 2 . . . . . . . . 5398 1 2093 . 1 1 177 177 VAL CG2 C 13 20.83 0.08 . 2 . . . . . . . . 5398 1 2094 . 1 1 178 178 GLY HA2 H 1 3.752 0.02 . 2 . . . . . . . . 5398 1 2095 . 1 1 178 178 GLY HA3 H 1 3.875 0.02 . 2 . . . . . . . . 5398 1 2096 . 1 1 178 178 GLY C C 13 173.9 0.08 . 1 . . . . . . . . 5398 1 2097 . 1 1 178 178 GLY CA C 13 44.08 0.08 . 1 . . . . . . . . 5398 1 2098 . 1 1 179 179 CYS HA H 1 3.932 0.02 . 1 . . . . . . . . 5398 1 2099 . 1 1 179 179 CYS HB2 H 1 3.290 0.02 . 1 . . . . . . . . 5398 1 2100 . 1 1 179 179 CYS HB3 H 1 3.290 0.02 . 1 . . . . . . . . 5398 1 2101 . 1 1 179 179 CYS H H 1 8.254 0.02 . 1 . . . . . . . . 5398 1 2102 . 1 1 179 179 CYS C C 13 177.4 0.08 . 1 . . . . . . . . 5398 1 2103 . 1 1 179 179 CYS CA C 13 59.63 0.08 . 1 . . . . . . . . 5398 1 2104 . 1 1 179 179 CYS CB C 13 28.59 0.08 . 1 . . . . . . . . 5398 1 2105 . 1 1 179 179 CYS N N 15 122.7 0.08 . 1 . . . . . . . . 5398 1 2106 . 1 1 180 180 CYS HA H 1 4.606 0.02 . 1 . . . . . . . . 5398 1 2107 . 1 1 180 180 CYS HB2 H 1 3.222 0.02 . 1 . . . . . . . . 5398 1 2108 . 1 1 180 180 CYS HB3 H 1 3.222 0.02 . 1 . . . . . . . . 5398 1 2109 . 1 1 180 180 CYS H H 1 8.934 0.02 . 1 . . . . . . . . 5398 1 2110 . 1 1 180 180 CYS C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 2111 . 1 1 180 180 CYS CA C 13 60.16 0.08 . 1 . . . . . . . . 5398 1 2112 . 1 1 180 180 CYS CB C 13 27.60 0.08 . 1 . . . . . . . . 5398 1 2113 . 1 1 180 180 CYS N N 15 130.2 0.08 . 1 . . . . . . . . 5398 1 2114 . 1 1 181 181 CYS HA H 1 4.357 0.02 . 1 . . . . . . . . 5398 1 2115 . 1 1 181 181 CYS HB2 H 1 1.658 0.02 . 2 . . . . . . . . 5398 1 2116 . 1 1 181 181 CYS HB3 H 1 2.453 0.02 . 2 . . . . . . . . 5398 1 2117 . 1 1 181 181 CYS H H 1 9.410 0.02 . 1 . . . . . . . . 5398 1 2118 . 1 1 181 181 CYS C C 13 173.9 0.08 . 1 . . . . . . . . 5398 1 2119 . 1 1 181 181 CYS CA C 13 59.16 0.08 . 1 . . . . . . . . 5398 1 2120 . 1 1 181 181 CYS CB C 13 26.61 0.08 . 1 . . . . . . . . 5398 1 2121 . 1 1 181 181 CYS N N 15 122.3 0.08 . 1 . . . . . . . . 5398 1 2122 . 1 1 182 182 TYR HA H 1 4.252 0.02 . 1 . . . . . . . . 5398 1 2123 . 1 1 182 182 TYR HB2 H 1 2.944 0.02 . 2 . . . . . . . . 5398 1 2124 . 1 1 182 182 TYR HB3 H 1 3.311 0.02 . 2 . . . . . . . . 5398 1 2125 . 1 1 182 182 TYR HE1 H 1 6.890 0.02 . 1 . . . . . . . . 5398 1 2126 . 1 1 182 182 TYR HE2 H 1 6.890 0.02 . 1 . . . . . . . . 5398 1 2127 . 1 1 182 182 TYR HD1 H 1 7.081 0.02 . 1 . . . . . . . . 5398 1 2128 . 1 1 182 182 TYR HD2 H 1 7.081 0.02 . 1 . . . . . . . . 5398 1 2129 . 1 1 182 182 TYR H H 1 7.973 0.02 . 1 . . . . . . . . 5398 1 2130 . 1 1 182 182 TYR C C 13 175.4 0.08 . 1 . . . . . . . . 5398 1 2131 . 1 1 182 182 TYR CA C 13 56.82 0.08 . 1 . . . . . . . . 5398 1 2132 . 1 1 182 182 TYR CB C 13 38.62 0.08 . 1 . . . . . . . . 5398 1 2133 . 1 1 182 182 TYR CD1 C 13 133.7 0.08 . 1 . . . . . . . . 5398 1 2134 . 1 1 182 182 TYR CD2 C 13 133.7 0.08 . 1 . . . . . . . . 5398 1 2135 . 1 1 182 182 TYR CE1 C 13 117.7 0.08 . 1 . . . . . . . . 5398 1 2136 . 1 1 182 182 TYR CE2 C 13 117.7 0.08 . 1 . . . . . . . . 5398 1 2137 . 1 1 182 182 TYR N N 15 124.8 0.08 . 1 . . . . . . . . 5398 1 2138 . 1 1 183 183 PRO HA H 1 4.180 0.02 . 1 . . . . . . . . 5398 1 2139 . 1 1 183 183 PRO HB2 H 1 1.737 0.02 . 2 . . . . . . . . 5398 1 2140 . 1 1 183 183 PRO HB3 H 1 2.059 0.02 . 2 . . . . . . . . 5398 1 2141 . 1 1 183 183 PRO HD2 H 1 2.668 0.02 . 2 . . . . . . . . 5398 1 2142 . 1 1 183 183 PRO HD3 H 1 3.580 0.02 . 2 . . . . . . . . 5398 1 2143 . 1 1 183 183 PRO HG2 H 1 1.634 0.02 . 2 . . . . . . . . 5398 1 2144 . 1 1 183 183 PRO HG3 H 1 1.780 0.02 . 2 . . . . . . . . 5398 1 2145 . 1 1 183 183 PRO C C 13 176.8 0.08 . 1 . . . . . . . . 5398 1 2146 . 1 1 183 183 PRO CA C 13 63.86 0.08 . 1 . . . . . . . . 5398 1 2147 . 1 1 183 183 PRO CB C 13 31.16 0.08 . 1 . . . . . . . . 5398 1 2148 . 1 1 183 183 PRO CD C 13 50.39 0.08 . 1 . . . . . . . . 5398 1 2149 . 1 1 183 183 PRO CG C 13 27.17 0.08 . 1 . . . . . . . . 5398 1 2150 . 1 1 184 184 GLY HA2 H 1 3.909 0.02 . 1 . . . . . . . . 5398 1 2151 . 1 1 184 184 GLY HA3 H 1 3.909 0.02 . 1 . . . . . . . . 5398 1 2152 . 1 1 184 184 GLY H H 1 7.031 0.02 . 1 . . . . . . . . 5398 1 2153 . 1 1 184 184 GLY C C 13 173.9 0.08 . 1 . . . . . . . . 5398 1 2154 . 1 1 184 184 GLY CA C 13 44.85 0.08 . 1 . . . . . . . . 5398 1 2155 . 1 1 184 184 GLY N N 15 107.7 0.08 . 1 . . . . . . . . 5398 1 2156 . 1 1 185 185 ASN HD21 H 1 7.517 0.02 . 1 . . . . . . . . 5398 1 2157 . 1 1 185 185 ASN HD22 H 1 7.517 0.02 . 1 . . . . . . . . 5398 1 2158 . 1 1 185 185 ASN HA H 1 4.798 0.02 . 1 . . . . . . . . 5398 1 2159 . 1 1 185 185 ASN HB2 H 1 2.828 0.02 . 2 . . . . . . . . 5398 1 2160 . 1 1 185 185 ASN HB3 H 1 2.885 0.02 . 2 . . . . . . . . 5398 1 2161 . 1 1 185 185 ASN H H 1 8.174 0.02 . 1 . . . . . . . . 5398 1 2162 . 1 1 185 185 ASN C C 13 174.8 0.08 . 1 . . . . . . . . 5398 1 2163 . 1 1 185 185 ASN CA C 13 52.78 0.08 . 1 . . . . . . . . 5398 1 2164 . 1 1 185 185 ASN CB C 13 38.64 0.08 . 1 . . . . . . . . 5398 1 2165 . 1 1 185 185 ASN N N 15 118.5 0.08 . 1 . . . . . . . . 5398 1 2166 . 1 1 186 186 LYS HA H 1 4.649 0.02 . 1 . . . . . . . . 5398 1 2167 . 1 1 186 186 LYS HB2 H 1 1.669 0.02 . 2 . . . . . . . . 5398 1 2168 . 1 1 186 186 LYS HB3 H 1 1.840 0.02 . 2 . . . . . . . . 5398 1 2169 . 1 1 186 186 LYS HE2 H 1 2.992 0.02 . 1 . . . . . . . . 5398 1 2170 . 1 1 186 186 LYS HE3 H 1 2.992 0.02 . 1 . . . . . . . . 5398 1 2171 . 1 1 186 186 LYS HD2 H 1 1.690 0.02 . 1 . . . . . . . . 5398 1 2172 . 1 1 186 186 LYS HD3 H 1 1.690 0.02 . 1 . . . . . . . . 5398 1 2173 . 1 1 186 186 LYS H H 1 8.053 0.02 . 1 . . . . . . . . 5398 1 2174 . 1 1 186 186 LYS HG2 H 1 1.466 0.02 . 1 . . . . . . . . 5398 1 2175 . 1 1 186 186 LYS HG3 H 1 1.466 0.02 . 1 . . . . . . . . 5398 1 2176 . 1 1 186 186 LYS C C 13 173.6 0.08 . 1 . . . . . . . . 5398 1 2177 . 1 1 186 186 LYS CA C 13 53.90 0.08 . 1 . . . . . . . . 5398 1 2178 . 1 1 186 186 LYS CB C 13 32.39 0.08 . 1 . . . . . . . . 5398 1 2179 . 1 1 186 186 LYS CD C 13 29.04 0.08 . 1 . . . . . . . . 5398 1 2180 . 1 1 186 186 LYS CE C 13 41.84 0.08 . 1 . . . . . . . . 5398 1 2181 . 1 1 186 186 LYS CG C 13 24.08 0.08 . 1 . . . . . . . . 5398 1 2182 . 1 1 186 186 LYS N N 15 123.1 0.08 . 1 . . . . . . . . 5398 1 2183 . 1 1 187 187 PRO HA H 1 4.224 0.02 . 1 . . . . . . . . 5398 1 2184 . 1 1 187 187 PRO HB2 H 1 1.880 0.02 . 2 . . . . . . . . 5398 1 2185 . 1 1 187 187 PRO HB3 H 1 2.216 0.02 . 2 . . . . . . . . 5398 1 2186 . 1 1 187 187 PRO HD2 H 1 3.621 0.02 . 2 . . . . . . . . 5398 1 2187 . 1 1 187 187 PRO HD3 H 1 3.772 0.02 . 2 . . . . . . . . 5398 1 2188 . 1 1 187 187 PRO HG2 H 1 1.961 0.02 . 1 . . . . . . . . 5398 1 2189 . 1 1 187 187 PRO HG3 H 1 1.961 0.02 . 1 . . . . . . . . 5398 1 2190 . 1 1 187 187 PRO C C 13 182.0 0.08 . 1 . . . . . . . . 5398 1 2191 . 1 1 187 187 PRO CA C 13 64.47 0.08 . 1 . . . . . . . . 5398 1 2192 . 1 1 187 187 PRO CB C 13 31.80 0.08 . 1 . . . . . . . . 5398 1 2193 . 1 1 187 187 PRO CD C 13 50.04 0.08 . 1 . . . . . . . . 5398 1 2194 . 1 1 187 187 PRO CG C 13 26.94 0.08 . 1 . . . . . . . . 5398 1 stop_ save_