data_5974 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5974 _Entry.Title ; Assignment of the 1H, 13C and 15N resonances of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-10-16 _Entry.Accession_date 2003-10-16 _Entry.Last_release_date 2004-04-07 _Entry.Original_release_date 2004-04-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Huan-Lin Wu . . . 5974 2 Christopher Williams . . . 5974 3 Abhishek Upadhyay . . . 5974 4 Edouard Galyov . E. . 5974 5 Bagby Stefan . . . 5974 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5974 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 910 5974 '13C chemical shifts' 672 5974 '15N chemical shifts' 175 5974 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 . . 2004-04-07 2003-10-16 original author . 5974 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5701 'SopE2 momomer' 5974 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5974 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15014239 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 13C and 15N resonances of the catalytic domain of guanine nucleotide exchange factor BopE from Burkholderia pseudomallei ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 2 _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 215 _Citation.Page_last 216 _Citation.Year 2004 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Huan-Lin Wu . . . 5974 1 2 Christopher Williams . . . 5974 1 3 Abhishek Upadhyay . . . 5974 1 4 Edouard Galyov . E. . 5974 1 5 Stefan Bagby . . . 5974 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'guanine nucleotide exchange factor' 5974 1 'Burkholderia pseudomallei' 5974 1 'type III secretion' 5974 1 'Rho GTPase' 5974 1 melioidosis 5974 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BopE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BopE _Assembly.Entry_ID 5974 _Assembly.ID 1 _Assembly.Name BopE _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5974 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 'BopE monomer' 1 $BopE . . . native . . . . . 5974 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BopE system 5974 1 BopE abbreviation 5974 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'guanine nucleotide exchange factor for Rho GTPases' 5974 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BopE _Entity.Sf_category entity _Entity.Sf_framecode BopE _Entity.Entry_ID 5974 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BopE _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 ; GSTGDAKQAIRHFVDEAVKQ VAHARTPEIRQDAEFGRQVY EATLCAIFSEAKDRFCMDPA TRAGNVRPAFIEALGDAARA TGLPGADKQGVFTPSGAGTN PLYTEIRLRADTLMGAELAA RPEYRELQPYARQQAIDLVA NALPAERSNTLVEFRQTVQT LEATYRRAAQDASRDEKGAT NAADGAA ; _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 . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Residues 3-186 corresponds to BopE residues 78-261.' _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 PDB 2JOK . "Nmr Structure Of The Catalytic Domain Of Guanine Nucleotide Exchange Factor Bope From Burkholderia Pseudomallei" . . . . . 99.47 186 100.00 100.00 5.84e-130 . . . . 5974 1 2 no PDB 2JOL . "Average Nmr Structure Of The Catalytic Domain Of Guanine Nucleotide Exchange Factor Bope From Burkholderia Pseudomallei" . . . . . 99.47 186 100.00 100.00 5.84e-130 . . . . 5974 1 3 no EMBL CAH38998 . "putative G-nucleotide exchange factor [Burkholderia pseudomallei K96243]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 4 no EMBL CDU31564 . "putative G-nucleotide exchange factor [Burkholderia pseudomallei]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 5 no GB AAU46021 . "type III secretion target BopE [Burkholderia mallei ATCC 23344]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 6 no GB ABA53377 . "type III secretion target BopE [Burkholderia pseudomallei 1710b]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 7 no GB ABN00329 . "type III secretion target BopE [Burkholderia mallei NCTC 10229]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 8 no GB ABN85504 . "guanine nucleotide exchange factor SopE [Burkholderia pseudomallei 668]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 9 no GB ABN95087 . "guanine nucleotide exchange factor SopE [Burkholderia pseudomallei 1106a]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 10 no REF WP_004188462 . "MULTISPECIES: type III secretion system protein [pseudomallei group]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 11 no REF WP_004525325 . "type III secretion system protein [Burkholderia pseudomallei]" . . . . . 98.40 261 99.46 99.46 8.46e-126 . . . . 5974 1 12 no REF WP_004528812 . "MULTISPECIES: type III secretion system protein [Burkholderia]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 13 no REF WP_004549546 . "type III secretion system protein [Burkholderia pseudomallei]" . . . . . 98.40 261 99.46 99.46 1.34e-125 . . . . 5974 1 14 no REF WP_038730375 . "type III secretion protein BopE [Burkholderia sp. ABCPW 1]" . . . . . 98.40 261 100.00 100.00 4.20e-127 . . . . 5974 1 15 no SP A2S1Q7 . "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia mallei NCTC 10229]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 16 no SP A3MCH6 . "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia mallei NCTC 10247]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 17 no SP A3NLC8 . "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 668]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 18 no SP A3P6Z0 . "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 1106a]" . . . . . 98.40 261 99.46 99.46 2.26e-126 . . . . 5974 1 19 no SP Q3JL30 . "RecName: Full=Guanine nucleotide exchange factor BopE; AltName: Full=Effector protein BopE [Burkholderia pseudomallei 1710b]" . . . . . 98.40 261 100.00 100.00 5.17e-127 . . . . 5974 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID BopE common 5974 1 BopE abbreviation 5974 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 -2 GLY . 5974 1 2 -1 SER . 5974 1 3 1 THR . 5974 1 4 2 GLY . 5974 1 5 3 ASP . 5974 1 6 4 ALA . 5974 1 7 5 LYS . 5974 1 8 6 GLN . 5974 1 9 7 ALA . 5974 1 10 8 ILE . 5974 1 11 9 ARG . 5974 1 12 10 HIS . 5974 1 13 11 PHE . 5974 1 14 12 VAL . 5974 1 15 13 ASP . 5974 1 16 14 GLU . 5974 1 17 15 ALA . 5974 1 18 16 VAL . 5974 1 19 17 LYS . 5974 1 20 18 GLN . 5974 1 21 19 VAL . 5974 1 22 20 ALA . 5974 1 23 21 HIS . 5974 1 24 22 ALA . 5974 1 25 23 ARG . 5974 1 26 24 THR . 5974 1 27 25 PRO . 5974 1 28 26 GLU . 5974 1 29 27 ILE . 5974 1 30 28 ARG . 5974 1 31 29 GLN . 5974 1 32 30 ASP . 5974 1 33 31 ALA . 5974 1 34 32 GLU . 5974 1 35 33 PHE . 5974 1 36 34 GLY . 5974 1 37 35 ARG . 5974 1 38 36 GLN . 5974 1 39 37 VAL . 5974 1 40 38 TYR . 5974 1 41 39 GLU . 5974 1 42 40 ALA . 5974 1 43 41 THR . 5974 1 44 42 LEU . 5974 1 45 43 CYS . 5974 1 46 44 ALA . 5974 1 47 45 ILE . 5974 1 48 46 PHE . 5974 1 49 47 SER . 5974 1 50 48 GLU . 5974 1 51 49 ALA . 5974 1 52 50 LYS . 5974 1 53 51 ASP . 5974 1 54 52 ARG . 5974 1 55 53 PHE . 5974 1 56 54 CYS . 5974 1 57 55 MET . 5974 1 58 56 ASP . 5974 1 59 57 PRO . 5974 1 60 58 ALA . 5974 1 61 59 THR . 5974 1 62 60 ARG . 5974 1 63 61 ALA . 5974 1 64 62 GLY . 5974 1 65 63 ASN . 5974 1 66 64 VAL . 5974 1 67 65 ARG . 5974 1 68 66 PRO . 5974 1 69 67 ALA . 5974 1 70 68 PHE . 5974 1 71 69 ILE . 5974 1 72 70 GLU . 5974 1 73 71 ALA . 5974 1 74 72 LEU . 5974 1 75 73 GLY . 5974 1 76 74 ASP . 5974 1 77 75 ALA . 5974 1 78 76 ALA . 5974 1 79 77 ARG . 5974 1 80 78 ALA . 5974 1 81 79 THR . 5974 1 82 80 GLY . 5974 1 83 81 LEU . 5974 1 84 82 PRO . 5974 1 85 83 GLY . 5974 1 86 84 ALA . 5974 1 87 85 ASP . 5974 1 88 86 LYS . 5974 1 89 87 GLN . 5974 1 90 88 GLY . 5974 1 91 89 VAL . 5974 1 92 90 PHE . 5974 1 93 91 THR . 5974 1 94 92 PRO . 5974 1 95 93 SER . 5974 1 96 94 GLY . 5974 1 97 95 ALA . 5974 1 98 96 GLY . 5974 1 99 97 THR . 5974 1 100 98 ASN . 5974 1 101 99 PRO . 5974 1 102 100 LEU . 5974 1 103 101 TYR . 5974 1 104 102 THR . 5974 1 105 103 GLU . 5974 1 106 104 ILE . 5974 1 107 105 ARG . 5974 1 108 106 LEU . 5974 1 109 107 ARG . 5974 1 110 108 ALA . 5974 1 111 109 ASP . 5974 1 112 110 THR . 5974 1 113 111 LEU . 5974 1 114 112 MET . 5974 1 115 113 GLY . 5974 1 116 114 ALA . 5974 1 117 115 GLU . 5974 1 118 116 LEU . 5974 1 119 117 ALA . 5974 1 120 118 ALA . 5974 1 121 119 ARG . 5974 1 122 120 PRO . 5974 1 123 121 GLU . 5974 1 124 122 TYR . 5974 1 125 123 ARG . 5974 1 126 124 GLU . 5974 1 127 125 LEU . 5974 1 128 126 GLN . 5974 1 129 127 PRO . 5974 1 130 128 TYR . 5974 1 131 129 ALA . 5974 1 132 130 ARG . 5974 1 133 131 GLN . 5974 1 134 132 GLN . 5974 1 135 133 ALA . 5974 1 136 134 ILE . 5974 1 137 135 ASP . 5974 1 138 136 LEU . 5974 1 139 137 VAL . 5974 1 140 138 ALA . 5974 1 141 139 ASN . 5974 1 142 140 ALA . 5974 1 143 141 LEU . 5974 1 144 142 PRO . 5974 1 145 143 ALA . 5974 1 146 144 GLU . 5974 1 147 145 ARG . 5974 1 148 146 SER . 5974 1 149 147 ASN . 5974 1 150 148 THR . 5974 1 151 149 LEU . 5974 1 152 150 VAL . 5974 1 153 151 GLU . 5974 1 154 152 PHE . 5974 1 155 153 ARG . 5974 1 156 154 GLN . 5974 1 157 155 THR . 5974 1 158 156 VAL . 5974 1 159 157 GLN . 5974 1 160 158 THR . 5974 1 161 159 LEU . 5974 1 162 160 GLU . 5974 1 163 161 ALA . 5974 1 164 162 THR . 5974 1 165 163 TYR . 5974 1 166 164 ARG . 5974 1 167 165 ARG . 5974 1 168 166 ALA . 5974 1 169 167 ALA . 5974 1 170 168 GLN . 5974 1 171 169 ASP . 5974 1 172 170 ALA . 5974 1 173 171 SER . 5974 1 174 172 ARG . 5974 1 175 173 ASP . 5974 1 176 174 GLU . 5974 1 177 175 LYS . 5974 1 178 176 GLY . 5974 1 179 177 ALA . 5974 1 180 178 THR . 5974 1 181 179 ASN . 5974 1 182 180 ALA . 5974 1 183 181 ALA . 5974 1 184 182 ASP . 5974 1 185 183 GLY . 5974 1 186 184 ALA . 5974 1 187 185 ALA . 5974 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 . GLY 1 1 5974 1 . SER 2 2 5974 1 . THR 3 3 5974 1 . GLY 4 4 5974 1 . ASP 5 5 5974 1 . ALA 6 6 5974 1 . LYS 7 7 5974 1 . GLN 8 8 5974 1 . ALA 9 9 5974 1 . ILE 10 10 5974 1 . ARG 11 11 5974 1 . HIS 12 12 5974 1 . PHE 13 13 5974 1 . VAL 14 14 5974 1 . ASP 15 15 5974 1 . GLU 16 16 5974 1 . ALA 17 17 5974 1 . VAL 18 18 5974 1 . LYS 19 19 5974 1 . GLN 20 20 5974 1 . VAL 21 21 5974 1 . ALA 22 22 5974 1 . HIS 23 23 5974 1 . ALA 24 24 5974 1 . ARG 25 25 5974 1 . THR 26 26 5974 1 . PRO 27 27 5974 1 . GLU 28 28 5974 1 . ILE 29 29 5974 1 . ARG 30 30 5974 1 . GLN 31 31 5974 1 . ASP 32 32 5974 1 . ALA 33 33 5974 1 . GLU 34 34 5974 1 . PHE 35 35 5974 1 . GLY 36 36 5974 1 . ARG 37 37 5974 1 . GLN 38 38 5974 1 . VAL 39 39 5974 1 . TYR 40 40 5974 1 . GLU 41 41 5974 1 . ALA 42 42 5974 1 . THR 43 43 5974 1 . LEU 44 44 5974 1 . CYS 45 45 5974 1 . ALA 46 46 5974 1 . ILE 47 47 5974 1 . PHE 48 48 5974 1 . SER 49 49 5974 1 . GLU 50 50 5974 1 . ALA 51 51 5974 1 . LYS 52 52 5974 1 . ASP 53 53 5974 1 . ARG 54 54 5974 1 . PHE 55 55 5974 1 . CYS 56 56 5974 1 . MET 57 57 5974 1 . ASP 58 58 5974 1 . PRO 59 59 5974 1 . ALA 60 60 5974 1 . THR 61 61 5974 1 . ARG 62 62 5974 1 . ALA 63 63 5974 1 . GLY 64 64 5974 1 . ASN 65 65 5974 1 . VAL 66 66 5974 1 . ARG 67 67 5974 1 . PRO 68 68 5974 1 . ALA 69 69 5974 1 . PHE 70 70 5974 1 . ILE 71 71 5974 1 . GLU 72 72 5974 1 . ALA 73 73 5974 1 . LEU 74 74 5974 1 . GLY 75 75 5974 1 . ASP 76 76 5974 1 . ALA 77 77 5974 1 . ALA 78 78 5974 1 . ARG 79 79 5974 1 . ALA 80 80 5974 1 . THR 81 81 5974 1 . GLY 82 82 5974 1 . LEU 83 83 5974 1 . PRO 84 84 5974 1 . GLY 85 85 5974 1 . ALA 86 86 5974 1 . ASP 87 87 5974 1 . LYS 88 88 5974 1 . GLN 89 89 5974 1 . GLY 90 90 5974 1 . VAL 91 91 5974 1 . PHE 92 92 5974 1 . THR 93 93 5974 1 . PRO 94 94 5974 1 . SER 95 95 5974 1 . GLY 96 96 5974 1 . ALA 97 97 5974 1 . GLY 98 98 5974 1 . THR 99 99 5974 1 . ASN 100 100 5974 1 . PRO 101 101 5974 1 . LEU 102 102 5974 1 . TYR 103 103 5974 1 . THR 104 104 5974 1 . GLU 105 105 5974 1 . ILE 106 106 5974 1 . ARG 107 107 5974 1 . LEU 108 108 5974 1 . ARG 109 109 5974 1 . ALA 110 110 5974 1 . ASP 111 111 5974 1 . THR 112 112 5974 1 . LEU 113 113 5974 1 . MET 114 114 5974 1 . GLY 115 115 5974 1 . ALA 116 116 5974 1 . GLU 117 117 5974 1 . LEU 118 118 5974 1 . ALA 119 119 5974 1 . ALA 120 120 5974 1 . ARG 121 121 5974 1 . PRO 122 122 5974 1 . GLU 123 123 5974 1 . TYR 124 124 5974 1 . ARG 125 125 5974 1 . GLU 126 126 5974 1 . LEU 127 127 5974 1 . GLN 128 128 5974 1 . PRO 129 129 5974 1 . TYR 130 130 5974 1 . ALA 131 131 5974 1 . ARG 132 132 5974 1 . GLN 133 133 5974 1 . GLN 134 134 5974 1 . ALA 135 135 5974 1 . ILE 136 136 5974 1 . ASP 137 137 5974 1 . LEU 138 138 5974 1 . VAL 139 139 5974 1 . ALA 140 140 5974 1 . ASN 141 141 5974 1 . ALA 142 142 5974 1 . LEU 143 143 5974 1 . PRO 144 144 5974 1 . ALA 145 145 5974 1 . GLU 146 146 5974 1 . ARG 147 147 5974 1 . SER 148 148 5974 1 . ASN 149 149 5974 1 . THR 150 150 5974 1 . LEU 151 151 5974 1 . VAL 152 152 5974 1 . GLU 153 153 5974 1 . PHE 154 154 5974 1 . ARG 155 155 5974 1 . GLN 156 156 5974 1 . THR 157 157 5974 1 . VAL 158 158 5974 1 . GLN 159 159 5974 1 . THR 160 160 5974 1 . LEU 161 161 5974 1 . GLU 162 162 5974 1 . ALA 163 163 5974 1 . THR 164 164 5974 1 . TYR 165 165 5974 1 . ARG 166 166 5974 1 . ARG 167 167 5974 1 . ALA 168 168 5974 1 . ALA 169 169 5974 1 . GLN 170 170 5974 1 . ASP 171 171 5974 1 . ALA 172 172 5974 1 . SER 173 173 5974 1 . ARG 174 174 5974 1 . ASP 175 175 5974 1 . GLU 176 176 5974 1 . LYS 177 177 5974 1 . GLY 178 178 5974 1 . ALA 179 179 5974 1 . THR 180 180 5974 1 . ASN 181 181 5974 1 . ALA 182 182 5974 1 . ALA 183 183 5974 1 . ASP 184 184 5974 1 . GLY 185 185 5974 1 . ALA 186 186 5974 1 . ALA 187 187 5974 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 5974 _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 $BopE . 28450 organism . 'Burkholderia pseudomallei' 'Burkholderia pseudomallei' . . Bacteria . Burkholderia pseudomallei . . . . . . . . . . . . . . . . bope . . . . 5974 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 5974 _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 $BopE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5974 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5974 _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 BopE '[U-95% 13C; U-90% 15N]' . . 1 $BopE . . 1.0 . . mM . . . . 5974 1 stop_ save_ ####################### # Sample conditions # ####################### save_Cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Cond_1 _Sample_condition_list.Entry_ID 5974 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 0.2 n/a 5974 1 temperature 298 0.3 K 5974 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5974 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5974 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian INOVA . 600 . . . 5974 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 5974 _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 'All NMR experiments were standard Varian pulse sequences,' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5974 1 2 'or part of the Varian ProteinPack distribution, or were' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5974 1 3 'supplied by Prof Lewis Kay, Toronto.' . . . . . . . . . . . 1 $sample_1 . . . 1 $Cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5974 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 5974 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5974 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5974 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5974 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5974 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5974 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 3 3 THR N N 15 116.675 0.1 . 1 . . . . . . . . 5974 1 2 . 1 1 3 3 THR H H 1 8.432 0.02 . 1 . . . . . . . . 5974 1 3 . 1 1 3 3 THR CA C 13 63.051 0.2 . 1 . . . . . . . . 5974 1 4 . 1 1 3 3 THR HA H 1 4.367 0.02 . 1 . . . . . . . . 5974 1 5 . 1 1 3 3 THR CB C 13 70.140 0.2 . 1 . . . . . . . . 5974 1 6 . 1 1 3 3 THR HB H 1 4.271 0.02 . 1 . . . . . . . . 5974 1 7 . 1 1 3 3 THR CG2 C 13 22.135 0.2 . 1 . . . . . . . . 5974 1 8 . 1 1 3 3 THR HG21 H 1 1.226 0.02 . 1 . . . . . . . . 5974 1 9 . 1 1 3 3 THR HG22 H 1 1.226 0.02 . 1 . . . . . . . . 5974 1 10 . 1 1 3 3 THR HG23 H 1 1.226 0.02 . 1 . . . . . . . . 5974 1 11 . 1 1 3 3 THR C C 13 175.810 0.2 . 1 . . . . . . . . 5974 1 12 . 1 1 4 4 GLY N N 15 111.640 0.1 . 1 . . . . . . . . 5974 1 13 . 1 1 4 4 GLY H H 1 8.409 0.02 . 1 . . . . . . . . 5974 1 14 . 1 1 4 4 GLY CA C 13 46.257 0.2 . 1 . . . . . . . . 5974 1 15 . 1 1 4 4 GLY HA2 H 1 3.971 0.02 . 2 . . . . . . . . 5974 1 16 . 1 1 4 4 GLY C C 13 174.776 0.2 . 1 . . . . . . . . 5974 1 17 . 1 1 5 5 ASP N N 15 121.354 0.1 . 1 . . . . . . . . 5974 1 18 . 1 1 5 5 ASP H H 1 8.082 0.02 . 1 . . . . . . . . 5974 1 19 . 1 1 5 5 ASP CA C 13 55.104 0.2 . 1 . . . . . . . . 5974 1 20 . 1 1 5 5 ASP HA H 1 4.593 0.02 . 1 . . . . . . . . 5974 1 21 . 1 1 5 5 ASP CB C 13 42.097 0.2 . 1 . . . . . . . . 5974 1 22 . 1 1 5 5 ASP HB2 H 1 2.733 0.02 . 2 . . . . . . . . 5974 1 23 . 1 1 5 5 ASP C C 13 177.736 0.2 . 1 . . . . . . . . 5974 1 24 . 1 1 6 6 ALA N N 15 126.429 0.1 . 1 . . . . . . . . 5974 1 25 . 1 1 6 6 ALA H H 1 8.554 0.02 . 1 . . . . . . . . 5974 1 26 . 1 1 6 6 ALA CA C 13 55.372 0.2 . 1 . . . . . . . . 5974 1 27 . 1 1 6 6 ALA HA H 1 4.231 0.02 . 1 . . . . . . . . 5974 1 28 . 1 1 6 6 ALA CB C 13 18.931 0.2 . 1 . . . . . . . . 5974 1 29 . 1 1 6 6 ALA HB1 H 1 1.347 0.02 . 1 . . . . . . . . 5974 1 30 . 1 1 6 6 ALA HB2 H 1 1.347 0.02 . 1 . . . . . . . . 5974 1 31 . 1 1 6 6 ALA HB3 H 1 1.347 0.02 . 1 . . . . . . . . 5974 1 32 . 1 1 6 6 ALA C C 13 179.422 0.2 . 1 . . . . . . . . 5974 1 33 . 1 1 7 7 LYS N N 15 117.594 0.1 . 1 . . . . . . . . 5974 1 34 . 1 1 7 7 LYS H H 1 8.333 0.02 . 1 . . . . . . . . 5974 1 35 . 1 1 7 7 LYS CA C 13 61.669 0.2 . 1 . . . . . . . . 5974 1 36 . 1 1 7 7 LYS HA H 1 3.686 0.02 . 1 . . . . . . . . 5974 1 37 . 1 1 7 7 LYS CB C 13 32.936 0.2 . 1 . . . . . . . . 5974 1 38 . 1 1 7 7 LYS HB2 H 1 1.891 0.02 . 2 . . . . . . . . 5974 1 39 . 1 1 7 7 LYS CG C 13 26.758 0.2 . 1 . . . . . . . . 5974 1 40 . 1 1 7 7 LYS HG2 H 1 1.422 0.02 . 2 . . . . . . . . 5974 1 41 . 1 1 7 7 LYS CD C 13 30.220 0.2 . 1 . . . . . . . . 5974 1 42 . 1 1 7 7 LYS HD2 H 1 1.714 0.02 . 2 . . . . . . . . 5974 1 43 . 1 1 7 7 LYS CE C 13 42.541 0.2 . 1 . . . . . . . . 5974 1 44 . 1 1 7 7 LYS HE2 H 1 2.904 0.02 . 2 . . . . . . . . 5974 1 45 . 1 1 7 7 LYS C C 13 178.882 0.2 . 1 . . . . . . . . 5974 1 46 . 1 1 8 8 GLN N N 15 117.863 0.1 . 1 . . . . . . . . 5974 1 47 . 1 1 8 8 GLN H H 1 7.972 0.02 . 1 . . . . . . . . 5974 1 48 . 1 1 8 8 GLN CA C 13 59.275 0.2 . 1 . . . . . . . . 5974 1 49 . 1 1 8 8 GLN HA H 1 3.938 0.02 . 1 . . . . . . . . 5974 1 50 . 1 1 8 8 GLN CB C 13 29.108 0.2 . 1 . . . . . . . . 5974 1 51 . 1 1 8 8 GLN HB2 H 1 2.046 0.02 . 2 . . . . . . . . 5974 1 52 . 1 1 8 8 GLN CG C 13 34.566 0.2 . 1 . . . . . . . . 5974 1 53 . 1 1 8 8 GLN HG3 H 1 2.418 0.02 . 2 . . . . . . . . 5974 1 54 . 1 1 8 8 GLN HG2 H 1 2.325 0.02 . 2 . . . . . . . . 5974 1 55 . 1 1 8 8 GLN C C 13 179.053 0.2 . 1 . . . . . . . . 5974 1 56 . 1 1 9 9 ALA N N 15 123.555 0.1 . 1 . . . . . . . . 5974 1 57 . 1 1 9 9 ALA H H 1 7.938 0.02 . 1 . . . . . . . . 5974 1 58 . 1 1 9 9 ALA CA C 13 55.791 0.2 . 1 . . . . . . . . 5974 1 59 . 1 1 9 9 ALA HA H 1 4.076 0.02 . 1 . . . . . . . . 5974 1 60 . 1 1 9 9 ALA CB C 13 19.188 0.2 . 1 . . . . . . . . 5974 1 61 . 1 1 9 9 ALA HB1 H 1 1.563 0.02 . 1 . . . . . . . . 5974 1 62 . 1 1 9 9 ALA HB2 H 1 1.563 0.02 . 1 . . . . . . . . 5974 1 63 . 1 1 9 9 ALA HB3 H 1 1.563 0.02 . 1 . . . . . . . . 5974 1 64 . 1 1 9 9 ALA C C 13 180.232 0.2 . 1 . . . . . . . . 5974 1 65 . 1 1 10 10 ILE N N 15 118.106 0.1 . 1 . . . . . . . . 5974 1 66 . 1 1 10 10 ILE H H 1 8.527 0.02 . 1 . . . . . . . . 5974 1 67 . 1 1 10 10 ILE CA C 13 67.135 0.2 . 1 . . . . . . . . 5974 1 68 . 1 1 10 10 ILE HA H 1 3.808 0.02 . 1 . . . . . . . . 5974 1 69 . 1 1 10 10 ILE CB C 13 38.870 0.2 . 1 . . . . . . . . 5974 1 70 . 1 1 10 10 ILE HB H 1 2.312 0.02 . 1 . . . . . . . . 5974 1 71 . 1 1 10 10 ILE C C 13 178.525 0.2 . 1 . . . . . . . . 5974 1 72 . 1 1 11 11 ARG N N 15 120.157 0.1 . 1 . . . . . . . . 5974 1 73 . 1 1 11 11 ARG H H 1 8.261 0.02 . 1 . . . . . . . . 5974 1 74 . 1 1 11 11 ARG CA C 13 60.855 0.2 . 1 . . . . . . . . 5974 1 75 . 1 1 11 11 ARG HA H 1 3.671 0.02 . 1 . . . . . . . . 5974 1 76 . 1 1 11 11 ARG CB C 13 30.386 0.2 . 1 . . . . . . . . 5974 1 77 . 1 1 11 11 ARG HB2 H 1 1.805 0.02 . 2 . . . . . . . . 5974 1 78 . 1 1 11 11 ARG CG C 13 28.412 0.2 . 1 . . . . . . . . 5974 1 79 . 1 1 11 11 ARG HG3 H 1 1.517 0.02 . 2 . . . . . . . . 5974 1 80 . 1 1 11 11 ARG HG2 H 1 1.276 0.02 . 2 . . . . . . . . 5974 1 81 . 1 1 11 11 ARG CD C 13 43.582 0.2 . 1 . . . . . . . . 5974 1 82 . 1 1 11 11 ARG HD3 H 1 2.863 0.02 . 2 . . . . . . . . 5974 1 83 . 1 1 11 11 ARG HD2 H 1 2.806 0.02 . 2 . . . . . . . . 5974 1 84 . 1 1 11 11 ARG C C 13 177.757 0.2 . 1 . . . . . . . . 5974 1 85 . 1 1 12 12 HIS N N 15 116.526 0.1 . 1 . . . . . . . . 5974 1 86 . 1 1 12 12 HIS H H 1 7.934 0.02 . 1 . . . . . . . . 5974 1 87 . 1 1 12 12 HIS CA C 13 59.797 0.2 . 1 . . . . . . . . 5974 1 88 . 1 1 12 12 HIS HA H 1 4.420 0.02 . 1 . . . . . . . . 5974 1 89 . 1 1 12 12 HIS CB C 13 28.357 0.2 . 1 . . . . . . . . 5974 1 90 . 1 1 12 12 HIS HB3 H 1 3.241 0.02 . 2 . . . . . . . . 5974 1 91 . 1 1 12 12 HIS HB2 H 1 3.132 0.02 . 2 . . . . . . . . 5974 1 92 . 1 1 12 12 HIS C C 13 178.045 0.2 . 1 . . . . . . . . 5974 1 93 . 1 1 13 13 PHE N N 15 118.562 0.1 . 1 . . . . . . . . 5974 1 94 . 1 1 13 13 PHE H H 1 8.045 0.02 . 1 . . . . . . . . 5974 1 95 . 1 1 13 13 PHE CA C 13 63.172 0.2 . 1 . . . . . . . . 5974 1 96 . 1 1 13 13 PHE HA H 1 4.320 0.02 . 1 . . . . . . . . 5974 1 97 . 1 1 13 13 PHE CB C 13 40.147 0.2 . 1 . . . . . . . . 5974 1 98 . 1 1 13 13 PHE HB3 H 1 3.113 0.02 . 2 . . . . . . . . 5974 1 99 . 1 1 13 13 PHE HB2 H 1 3.208 0.02 . 2 . . . . . . . . 5974 1 100 . 1 1 13 13 PHE C C 13 178.807 0.2 . 1 . . . . . . . . 5974 1 101 . 1 1 14 14 VAL N N 15 121.108 0.1 . 1 . . . . . . . . 5974 1 102 . 1 1 14 14 VAL H H 1 8.694 0.02 . 1 . . . . . . . . 5974 1 103 . 1 1 14 14 VAL CA C 13 68.355 0.2 . 1 . . . . . . . . 5974 1 104 . 1 1 14 14 VAL HA H 1 3.633 0.02 . 1 . . . . . . . . 5974 1 105 . 1 1 14 14 VAL CB C 13 32.096 0.2 . 1 . . . . . . . . 5974 1 106 . 1 1 14 14 VAL HB H 1 2.470 0.02 . 1 . . . . . . . . 5974 1 107 . 1 1 14 14 VAL CG2 C 13 23.800 0.2 . 1 . . . . . . . . 5974 1 108 . 1 1 14 14 VAL HG21 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 109 . 1 1 14 14 VAL HG22 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 110 . 1 1 14 14 VAL HG23 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 111 . 1 1 14 14 VAL CG1 C 13 21.947 0.2 . 1 . . . . . . . . 5974 1 112 . 1 1 14 14 VAL HG11 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 113 . 1 1 14 14 VAL HG12 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 114 . 1 1 14 14 VAL HG13 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 115 . 1 1 14 14 VAL C C 13 177.676 0.2 . 1 . . . . . . . . 5974 1 116 . 1 1 15 15 ASP N N 15 120.309 0.1 . 1 . . . . . . . . 5974 1 117 . 1 1 15 15 ASP H H 1 8.805 0.02 . 1 . . . . . . . . 5974 1 118 . 1 1 15 15 ASP CA C 13 58.461 0.2 . 1 . . . . . . . . 5974 1 119 . 1 1 15 15 ASP HA H 1 4.480 0.02 . 1 . . . . . . . . 5974 1 120 . 1 1 15 15 ASP CB C 13 40.352 0.2 . 1 . . . . . . . . 5974 1 121 . 1 1 15 15 ASP HB3 H 1 2.613 0.02 . 2 . . . . . . . . 5974 1 122 . 1 1 15 15 ASP HB2 H 1 2.875 0.02 . 2 . . . . . . . . 5974 1 123 . 1 1 15 15 ASP C C 13 180.500 0.2 . 1 . . . . . . . . 5974 1 124 . 1 1 16 16 GLU N N 15 118.815 0.1 . 1 . . . . . . . . 5974 1 125 . 1 1 16 16 GLU H H 1 7.725 0.02 . 1 . . . . . . . . 5974 1 126 . 1 1 16 16 GLU CA C 13 59.583 0.2 . 1 . . . . . . . . 5974 1 127 . 1 1 16 16 GLU HA H 1 4.046 0.02 . 1 . . . . . . . . 5974 1 128 . 1 1 16 16 GLU CB C 13 29.940 0.2 . 1 . . . . . . . . 5974 1 129 . 1 1 16 16 GLU HB3 H 1 2.031 0.02 . 2 . . . . . . . . 5974 1 130 . 1 1 16 16 GLU HB2 H 1 2.125 0.02 . 2 . . . . . . . . 5974 1 131 . 1 1 16 16 GLU CG C 13 36.479 0.2 . 1 . . . . . . . . 5974 1 132 . 1 1 16 16 GLU HG2 H 1 2.495 0.02 . 2 . . . . . . . . 5974 1 133 . 1 1 16 16 GLU C C 13 178.868 0.2 . 1 . . . . . . . . 5974 1 134 . 1 1 17 17 ALA N N 15 124.101 0.1 . 1 . . . . . . . . 5974 1 135 . 1 1 17 17 ALA H H 1 8.265 0.02 . 1 . . . . . . . . 5974 1 136 . 1 1 17 17 ALA CA C 13 56.437 0.2 . 1 . . . . . . . . 5974 1 137 . 1 1 17 17 ALA HA H 1 3.872 0.02 . 1 . . . . . . . . 5974 1 138 . 1 1 17 17 ALA CB C 13 20.137 0.2 . 1 . . . . . . . . 5974 1 139 . 1 1 17 17 ALA HB1 H 1 1.670 0.02 . 1 . . . . . . . . 5974 1 140 . 1 1 17 17 ALA HB2 H 1 1.670 0.02 . 1 . . . . . . . . 5974 1 141 . 1 1 17 17 ALA HB3 H 1 1.670 0.02 . 1 . . . . . . . . 5974 1 142 . 1 1 17 17 ALA C C 13 179.949 0.2 . 1 . . . . . . . . 5974 1 143 . 1 1 18 18 VAL N N 15 118.675 0.1 . 1 . . . . . . . . 5974 1 144 . 1 1 18 18 VAL H H 1 8.862 0.02 . 1 . . . . . . . . 5974 1 145 . 1 1 18 18 VAL CA C 13 67.918 0.2 . 1 . . . . . . . . 5974 1 146 . 1 1 18 18 VAL HA H 1 3.332 0.02 . 1 . . . . . . . . 5974 1 147 . 1 1 18 18 VAL CB C 13 32.376 0.2 . 1 . . . . . . . . 5974 1 148 . 1 1 18 18 VAL HB H 1 2.363 0.02 . 1 . . . . . . . . 5974 1 149 . 1 1 18 18 VAL CG2 C 13 23.800 0.2 . 1 . . . . . . . . 5974 1 150 . 1 1 18 18 VAL HG21 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 151 . 1 1 18 18 VAL HG22 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 152 . 1 1 18 18 VAL HG23 H 1 1.126 0.02 . 2 . . . . . . . . 5974 1 153 . 1 1 18 18 VAL CG1 C 13 21.947 0.2 . 1 . . . . . . . . 5974 1 154 . 1 1 18 18 VAL HG11 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 155 . 1 1 18 18 VAL HG12 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 156 . 1 1 18 18 VAL HG13 H 1 1.038 0.02 . 2 . . . . . . . . 5974 1 157 . 1 1 18 18 VAL C C 13 177.951 0.2 . 1 . . . . . . . . 5974 1 158 . 1 1 19 19 LYS N N 15 118.815 0.1 . 1 . . . . . . . . 5974 1 159 . 1 1 19 19 LYS H H 1 7.725 0.02 . 1 . . . . . . . . 5974 1 160 . 1 1 19 19 LYS CA C 13 60.476 0.2 . 1 . . . . . . . . 5974 1 161 . 1 1 19 19 LYS HA H 1 4.001 0.02 . 1 . . . . . . . . 5974 1 162 . 1 1 19 19 LYS CB C 13 33.240 0.2 . 1 . . . . . . . . 5974 1 163 . 1 1 19 19 LYS HB2 H 1 1.937 0.02 . 2 . . . . . . . . 5974 1 164 . 1 1 19 19 LYS CG C 13 25.724 0.2 . 1 . . . . . . . . 5974 1 165 . 1 1 19 19 LYS HG2 H 1 1.583 0.02 . 2 . . . . . . . . 5974 1 166 . 1 1 19 19 LYS CD C 13 30.280 0.2 . 1 . . . . . . . . 5974 1 167 . 1 1 19 19 LYS HD2 H 1 1.692 0.02 . 2 . . . . . . . . 5974 1 168 . 1 1 19 19 LYS CE C 13 40.704 0.2 . 1 . . . . . . . . 5974 1 169 . 1 1 19 19 LYS HE2 H 1 2.253 0.02 . 2 . . . . . . . . 5974 1 170 . 1 1 19 19 LYS C C 13 180.537 0.2 . 1 . . . . . . . . 5974 1 171 . 1 1 20 20 GLN N N 15 119.321 0.1 . 1 . . . . . . . . 5974 1 172 . 1 1 20 20 GLN H H 1 8.159 0.02 . 1 . . . . . . . . 5974 1 173 . 1 1 20 20 GLN CA C 13 60.024 0.2 . 1 . . . . . . . . 5974 1 174 . 1 1 20 20 GLN HA H 1 4.073 0.02 . 1 . . . . . . . . 5974 1 175 . 1 1 20 20 GLN CB C 13 28.992 0.2 . 1 . . . . . . . . 5974 1 176 . 1 1 20 20 GLN HB2 H 1 2.130 0.02 . 2 . . . . . . . . 5974 1 177 . 1 1 20 20 GLN CG C 13 34.460 0.2 . 1 . . . . . . . . 5974 1 178 . 1 1 20 20 GLN HG2 H 1 2.860 0.02 . 2 . . . . . . . . 5974 1 179 . 1 1 20 20 GLN C C 13 180.823 0.2 . 1 . . . . . . . . 5974 1 180 . 1 1 21 21 VAL N N 15 123.171 0.1 . 1 . . . . . . . . 5974 1 181 . 1 1 21 21 VAL H H 1 8.718 0.02 . 1 . . . . . . . . 5974 1 182 . 1 1 21 21 VAL CA C 13 67.382 0.2 . 1 . . . . . . . . 5974 1 183 . 1 1 21 21 VAL HA H 1 3.762 0.02 . 1 . . . . . . . . 5974 1 184 . 1 1 21 21 VAL CB C 13 32.276 0.2 . 1 . . . . . . . . 5974 1 185 . 1 1 21 21 VAL HB H 1 1.995 0.02 . 1 . . . . . . . . 5974 1 186 . 1 1 21 21 VAL CG2 C 13 23.696 0.2 . 1 . . . . . . . . 5974 1 187 . 1 1 21 21 VAL HG21 H 1 1.044 0.02 . 2 . . . . . . . . 5974 1 188 . 1 1 21 21 VAL HG22 H 1 1.044 0.02 . 2 . . . . . . . . 5974 1 189 . 1 1 21 21 VAL HG23 H 1 1.044 0.02 . 2 . . . . . . . . 5974 1 190 . 1 1 21 21 VAL CG1 C 13 22.188 0.2 . 1 . . . . . . . . 5974 1 191 . 1 1 21 21 VAL HG11 H 1 0.946 0.02 . 2 . . . . . . . . 5974 1 192 . 1 1 21 21 VAL HG12 H 1 0.946 0.02 . 2 . . . . . . . . 5974 1 193 . 1 1 21 21 VAL HG13 H 1 0.946 0.02 . 2 . . . . . . . . 5974 1 194 . 1 1 21 21 VAL C C 13 178.713 0.2 . 1 . . . . . . . . 5974 1 195 . 1 1 22 22 ALA N N 15 123.621 0.1 . 1 . . . . . . . . 5974 1 196 . 1 1 22 22 ALA H H 1 9.461 0.02 . 1 . . . . . . . . 5974 1 197 . 1 1 22 22 ALA CA C 13 56.693 0.2 . 1 . . . . . . . . 5974 1 198 . 1 1 22 22 ALA HA H 1 3.881 0.02 . 1 . . . . . . . . 5974 1 199 . 1 1 22 22 ALA CB C 13 18.981 0.2 . 1 . . . . . . . . 5974 1 200 . 1 1 22 22 ALA HB1 H 1 1.550 0.02 . 1 . . . . . . . . 5974 1 201 . 1 1 22 22 ALA HB2 H 1 1.550 0.02 . 1 . . . . . . . . 5974 1 202 . 1 1 22 22 ALA HB3 H 1 1.550 0.02 . 1 . . . . . . . . 5974 1 203 . 1 1 22 22 ALA C C 13 182.100 0.2 . 1 . . . . . . . . 5974 1 204 . 1 1 23 23 HIS N N 15 118.028 0.1 . 1 . . . . . . . . 5974 1 205 . 1 1 23 23 HIS H H 1 8.290 0.02 . 1 . . . . . . . . 5974 1 206 . 1 1 23 23 HIS CA C 13 59.476 0.2 . 1 . . . . . . . . 5974 1 207 . 1 1 23 23 HIS HA H 1 4.330 0.02 . 1 . . . . . . . . 5974 1 208 . 1 1 23 23 HIS CB C 13 29.650 0.2 . 1 . . . . . . . . 5974 1 209 . 1 1 23 23 HIS HB2 H 1 3.339 0.02 . 2 . . . . . . . . 5974 1 210 . 1 1 23 23 HIS C C 13 176.978 0.2 . 1 . . . . . . . . 5974 1 211 . 1 1 24 24 ALA N N 15 118.808 0.1 . 1 . . . . . . . . 5974 1 212 . 1 1 24 24 ALA H H 1 7.561 0.02 . 1 . . . . . . . . 5974 1 213 . 1 1 24 24 ALA CA C 13 54.982 0.2 . 1 . . . . . . . . 5974 1 214 . 1 1 24 24 ALA HA H 1 4.250 0.02 . 1 . . . . . . . . 5974 1 215 . 1 1 24 24 ALA CB C 13 20.452 0.2 . 1 . . . . . . . . 5974 1 216 . 1 1 24 24 ALA HB1 H 1 1.562 0.02 . 1 . . . . . . . . 5974 1 217 . 1 1 24 24 ALA HB2 H 1 1.562 0.02 . 1 . . . . . . . . 5974 1 218 . 1 1 24 24 ALA HB3 H 1 1.562 0.02 . 1 . . . . . . . . 5974 1 219 . 1 1 24 24 ALA C C 13 180.502 0.2 . 1 . . . . . . . . 5974 1 220 . 1 1 25 25 ARG N N 15 111.720 0.1 . 1 . . . . . . . . 5974 1 221 . 1 1 25 25 ARG H H 1 8.916 0.02 . 1 . . . . . . . . 5974 1 222 . 1 1 25 25 ARG CA C 13 56.260 0.2 . 1 . . . . . . . . 5974 1 223 . 1 1 25 25 ARG HA H 1 4.516 0.02 . 1 . . . . . . . . 5974 1 224 . 1 1 25 25 ARG CB C 13 32.530 0.2 . 1 . . . . . . . . 5974 1 225 . 1 1 25 25 ARG HB3 H 1 2.004 0.02 . 2 . . . . . . . . 5974 1 226 . 1 1 25 25 ARG HB2 H 1 1.839 0.02 . 2 . . . . . . . . 5974 1 227 . 1 1 25 25 ARG CG C 13 27.595 0.2 . 1 . . . . . . . . 5974 1 228 . 1 1 25 25 ARG HG2 H 1 1.568 0.02 . 2 . . . . . . . . 5974 1 229 . 1 1 25 25 ARG CD C 13 43.870 0.2 . 1 . . . . . . . . 5974 1 230 . 1 1 25 25 ARG HD2 H 1 3.270 0.02 . 2 . . . . . . . . 5974 1 231 . 1 1 25 25 ARG C C 13 178.775 0.2 . 1 . . . . . . . . 5974 1 232 . 1 1 26 26 THR N N 15 116.906 0.1 . 1 . . . . . . . . 5974 1 233 . 1 1 26 26 THR H H 1 8.245 0.02 . 1 . . . . . . . . 5974 1 234 . 1 1 26 26 THR CA C 13 70.980 0.2 . 1 . . . . . . . . 5974 1 235 . 1 1 26 26 THR HA H 1 3.937 0.02 . 1 . . . . . . . . 5974 1 236 . 1 1 26 26 THR CB C 13 67.184 0.2 . 1 . . . . . . . . 5974 1 237 . 1 1 26 26 THR HB H 1 4.508 0.02 . 1 . . . . . . . . 5974 1 238 . 1 1 26 26 THR CG2 C 13 22.185 0.2 . 1 . . . . . . . . 5974 1 239 . 1 1 26 26 THR HG21 H 1 1.236 0.02 . 1 . . . . . . . . 5974 1 240 . 1 1 26 26 THR HG22 H 1 1.236 0.02 . 1 . . . . . . . . 5974 1 241 . 1 1 26 26 THR HG23 H 1 1.236 0.02 . 1 . . . . . . . . 5974 1 242 . 1 1 26 26 THR C C 13 173.678 0.2 . 1 . . . . . . . . 5974 1 243 . 1 1 27 27 PRO CA C 13 66.573 0.2 . 1 . . . . . . . . 5974 1 244 . 1 1 27 27 PRO HA H 1 4.275 0.02 . 1 . . . . . . . . 5974 1 245 . 1 1 27 27 PRO CB C 13 31.452 0.2 . 1 . . . . . . . . 5974 1 246 . 1 1 27 27 PRO HB2 H 1 2.335 0.02 . 2 . . . . . . . . 5974 1 247 . 1 1 27 27 PRO CG C 13 29.186 0.2 . 1 . . . . . . . . 5974 1 248 . 1 1 27 27 PRO HG2 H 1 2.082 0.02 . 2 . . . . . . . . 5974 1 249 . 1 1 28 28 GLU N N 15 116.510 0.1 . 1 . . . . . . . . 5974 1 250 . 1 1 28 28 GLU H H 1 6.666 0.02 . 1 . . . . . . . . 5974 1 251 . 1 1 28 28 GLU CA C 13 59.634 0.2 . 1 . . . . . . . . 5974 1 252 . 1 1 28 28 GLU HA H 1 4.089 0.02 . 1 . . . . . . . . 5974 1 253 . 1 1 28 28 GLU CB C 13 30.900 0.2 . 1 . . . . . . . . 5974 1 254 . 1 1 28 28 GLU HB3 H 1 2.137 0.02 . 2 . . . . . . . . 5974 1 255 . 1 1 28 28 GLU HB2 H 1 2.005 0.02 . 2 . . . . . . . . 5974 1 256 . 1 1 28 28 GLU CG C 13 36.768 0.2 . 1 . . . . . . . . 5974 1 257 . 1 1 28 28 GLU HG2 H 1 2.359 0.02 . 2 . . . . . . . . 5974 1 258 . 1 1 28 28 GLU C C 13 179.025 0.2 . 1 . . . . . . . . 5974 1 259 . 1 1 29 29 ILE N N 15 119.072 0.1 . 1 . . . . . . . . 5974 1 260 . 1 1 29 29 ILE H H 1 8.163 0.02 . 1 . . . . . . . . 5974 1 261 . 1 1 29 29 ILE CA C 13 66.211 0.2 . 1 . . . . . . . . 5974 1 262 . 1 1 29 29 ILE HA H 1 3.561 0.02 . 1 . . . . . . . . 5974 1 263 . 1 1 29 29 ILE CB C 13 38.747 0.2 . 1 . . . . . . . . 5974 1 264 . 1 1 29 29 ILE HB H 1 1.954 0.02 . 1 . . . . . . . . 5974 1 265 . 1 1 29 29 ILE C C 13 176.773 0.2 . 1 . . . . . . . . 5974 1 266 . 1 1 30 30 ARG N N 15 115.364 0.1 . 1 . . . . . . . . 5974 1 267 . 1 1 30 30 ARG H H 1 7.703 0.02 . 1 . . . . . . . . 5974 1 268 . 1 1 30 30 ARG CA C 13 59.305 0.2 . 1 . . . . . . . . 5974 1 269 . 1 1 30 30 ARG HA H 1 4.126 0.02 . 1 . . . . . . . . 5974 1 270 . 1 1 30 30 ARG CB C 13 31.746 0.2 . 1 . . . . . . . . 5974 1 271 . 1 1 30 30 ARG HB2 H 1 1.856 0.02 . 2 . . . . . . . . 5974 1 272 . 1 1 30 30 ARG CG C 13 28.836 0.2 . 1 . . . . . . . . 5974 1 273 . 1 1 30 30 ARG HG3 H 1 1.827 0.02 . 2 . . . . . . . . 5974 1 274 . 1 1 30 30 ARG HG2 H 1 1.721 0.02 . 2 . . . . . . . . 5974 1 275 . 1 1 30 30 ARG CD C 13 44.262 0.2 . 1 . . . . . . . . 5974 1 276 . 1 1 30 30 ARG HD2 H 1 3.186 0.02 . 2 . . . . . . . . 5974 1 277 . 1 1 30 30 ARG C C 13 178.927 0.2 . 1 . . . . . . . . 5974 1 278 . 1 1 31 31 GLN N N 15 115.435 0.1 . 1 . . . . . . . . 5974 1 279 . 1 1 31 31 GLN H H 1 7.900 0.02 . 1 . . . . . . . . 5974 1 280 . 1 1 31 31 GLN CA C 13 57.452 0.2 . 1 . . . . . . . . 5974 1 281 . 1 1 31 31 GLN HA H 1 4.347 0.02 . 1 . . . . . . . . 5974 1 282 . 1 1 31 31 GLN CB C 13 30.980 0.2 . 1 . . . . . . . . 5974 1 283 . 1 1 31 31 GLN HB2 H 1 2.137 0.02 . 2 . . . . . . . . 5974 1 284 . 1 1 31 31 GLN CG C 13 35.011 0.2 . 1 . . . . . . . . 5974 1 285 . 1 1 31 31 GLN HG2 H 1 2.478 0.02 . 2 . . . . . . . . 5974 1 286 . 1 1 31 31 GLN C C 13 176.361 0.2 . 1 . . . . . . . . 5974 1 287 . 1 1 32 32 ASP N N 15 121.315 0.1 . 1 . . . . . . . . 5974 1 288 . 1 1 32 32 ASP H H 1 8.114 0.02 . 1 . . . . . . . . 5974 1 289 . 1 1 32 32 ASP CA C 13 53.734 0.2 . 1 . . . . . . . . 5974 1 290 . 1 1 32 32 ASP HA H 1 4.707 0.02 . 1 . . . . . . . . 5974 1 291 . 1 1 32 32 ASP CB C 13 39.713 0.2 . 1 . . . . . . . . 5974 1 292 . 1 1 32 32 ASP HB3 H 1 2.781 0.02 . 2 . . . . . . . . 5974 1 293 . 1 1 32 32 ASP HB2 H 1 2.831 0.02 . 2 . . . . . . . . 5974 1 294 . 1 1 32 32 ASP C C 13 175.369 0.2 . 1 . . . . . . . . 5974 1 295 . 1 1 33 33 ALA N N 15 125.057 0.1 . 1 . . . . . . . . 5974 1 296 . 1 1 33 33 ALA H H 1 8.223 0.02 . 1 . . . . . . . . 5974 1 297 . 1 1 33 33 ALA CA C 13 53.332 0.2 . 1 . . . . . . . . 5974 1 298 . 1 1 33 33 ALA HA H 1 4.274 0.02 . 1 . . . . . . . . 5974 1 299 . 1 1 33 33 ALA CB C 13 19.815 0.2 . 1 . . . . . . . . 5974 1 300 . 1 1 33 33 ALA HB1 H 1 1.379 0.02 . 1 . . . . . . . . 5974 1 301 . 1 1 33 33 ALA HB2 H 1 1.379 0.02 . 1 . . . . . . . . 5974 1 302 . 1 1 33 33 ALA HB3 H 1 1.379 0.02 . 1 . . . . . . . . 5974 1 303 . 1 1 33 33 ALA C C 13 178.190 0.2 . 1 . . . . . . . . 5974 1 304 . 1 1 34 34 GLU N N 15 123.498 0.1 . 1 . . . . . . . . 5974 1 305 . 1 1 34 34 GLU H H 1 8.289 0.02 . 1 . . . . . . . . 5974 1 306 . 1 1 34 34 GLU CA C 13 53.241 0.2 . 1 . . . . . . . . 5974 1 307 . 1 1 34 34 GLU HA H 1 4.310 0.02 . 1 . . . . . . . . 5974 1 308 . 1 1 34 34 GLU CB C 13 33.010 0.2 . 1 . . . . . . . . 5974 1 309 . 1 1 34 34 GLU HB2 H 1 1.366 0.02 . 2 . . . . . . . . 5974 1 310 . 1 1 34 34 GLU C C 13 178.203 0.2 . 1 . . . . . . . . 5974 1 311 . 1 1 35 35 PHE N N 15 119.435 0.1 . 1 . . . . . . . . 5974 1 312 . 1 1 35 35 PHE H H 1 8.177 0.02 . 1 . . . . . . . . 5974 1 313 . 1 1 35 35 PHE CA C 13 61.290 0.2 . 1 . . . . . . . . 5974 1 314 . 1 1 35 35 PHE HA H 1 4.447 0.02 . 1 . . . . . . . . 5974 1 315 . 1 1 35 35 PHE CB C 13 39.491 0.2 . 1 . . . . . . . . 5974 1 316 . 1 1 35 35 PHE HB3 H 1 3.266 0.02 . 2 . . . . . . . . 5974 1 317 . 1 1 35 35 PHE HB2 H 1 2.974 0.02 . 2 . . . . . . . . 5974 1 318 . 1 1 35 35 PHE C C 13 178.750 0.2 . 1 . . . . . . . . 5974 1 319 . 1 1 36 36 GLY N N 15 105.115 0.1 . 1 . . . . . . . . 5974 1 320 . 1 1 36 36 GLY H H 1 9.079 0.02 . 1 . . . . . . . . 5974 1 321 . 1 1 36 36 GLY CA C 13 48.609 0.2 . 1 . . . . . . . . 5974 1 322 . 1 1 36 36 GLY HA3 H 1 3.583 0.02 . 2 . . . . . . . . 5974 1 323 . 1 1 36 36 GLY HA2 H 1 4.010 0.02 . 2 . . . . . . . . 5974 1 324 . 1 1 36 36 GLY C C 13 176.247 0.2 . 1 . . . . . . . . 5974 1 325 . 1 1 37 37 ARG N N 15 122.620 0.1 . 1 . . . . . . . . 5974 1 326 . 1 1 37 37 ARG H H 1 7.944 0.02 . 1 . . . . . . . . 5974 1 327 . 1 1 37 37 ARG CA C 13 60.947 0.2 . 1 . . . . . . . . 5974 1 328 . 1 1 37 37 ARG HA H 1 3.968 0.02 . 1 . . . . . . . . 5974 1 329 . 1 1 37 37 ARG CB C 13 30.488 0.2 . 1 . . . . . . . . 5974 1 330 . 1 1 37 37 ARG HB2 H 1 2.159 0.02 . 2 . . . . . . . . 5974 1 331 . 1 1 37 37 ARG CG C 13 33.239 0.2 . 1 . . . . . . . . 5974 1 332 . 1 1 37 37 ARG HG2 H 1 1.671 0.02 . 2 . . . . . . . . 5974 1 333 . 1 1 37 37 ARG CD C 13 43.549 0.2 . 1 . . . . . . . . 5974 1 334 . 1 1 37 37 ARG HD2 H 1 3.167 0.02 . 2 . . . . . . . . 5974 1 335 . 1 1 37 37 ARG C C 13 178.737 0.2 . 1 . . . . . . . . 5974 1 336 . 1 1 38 38 GLN N N 15 119.517 0.1 . 1 . . . . . . . . 5974 1 337 . 1 1 38 38 GLN H H 1 8.187 0.02 . 1 . . . . . . . . 5974 1 338 . 1 1 38 38 GLN CA C 13 60.024 0.2 . 1 . . . . . . . . 5974 1 339 . 1 1 38 38 GLN HA H 1 4.045 0.02 . 1 . . . . . . . . 5974 1 340 . 1 1 38 38 GLN CB C 13 29.024 0.2 . 1 . . . . . . . . 5974 1 341 . 1 1 38 38 GLN HB3 H 1 2.310 0.02 . 2 . . . . . . . . 5974 1 342 . 1 1 38 38 GLN HB2 H 1 2.123 0.02 . 2 . . . . . . . . 5974 1 343 . 1 1 38 38 GLN CG C 13 34.611 0.2 . 1 . . . . . . . . 5974 1 344 . 1 1 38 38 GLN HG3 H 1 2.645 0.02 . 2 . . . . . . . . 5974 1 345 . 1 1 38 38 GLN HG2 H 1 2.367 0.02 . 2 . . . . . . . . 5974 1 346 . 1 1 38 38 GLN C C 13 180.930 0.2 . 1 . . . . . . . . 5974 1 347 . 1 1 39 39 VAL N N 15 118.005 0.1 . 1 . . . . . . . . 5974 1 348 . 1 1 39 39 VAL H H 1 8.615 0.02 . 1 . . . . . . . . 5974 1 349 . 1 1 39 39 VAL CA C 13 66.375 0.2 . 1 . . . . . . . . 5974 1 350 . 1 1 39 39 VAL HA H 1 3.786 0.02 . 1 . . . . . . . . 5974 1 351 . 1 1 39 39 VAL CB C 13 31.976 0.2 . 1 . . . . . . . . 5974 1 352 . 1 1 39 39 VAL HB H 1 1.894 0.02 . 1 . . . . . . . . 5974 1 353 . 1 1 39 39 VAL CG2 C 13 23.171 0.2 . 1 . . . . . . . . 5974 1 354 . 1 1 39 39 VAL HG21 H 1 0.676 0.02 . 2 . . . . . . . . 5974 1 355 . 1 1 39 39 VAL HG22 H 1 0.676 0.02 . 2 . . . . . . . . 5974 1 356 . 1 1 39 39 VAL HG23 H 1 0.676 0.02 . 2 . . . . . . . . 5974 1 357 . 1 1 39 39 VAL CG1 C 13 22.884 0.2 . 1 . . . . . . . . 5974 1 358 . 1 1 39 39 VAL HG11 H 1 0.600 0.02 . 2 . . . . . . . . 5974 1 359 . 1 1 39 39 VAL HG12 H 1 0.600 0.02 . 2 . . . . . . . . 5974 1 360 . 1 1 39 39 VAL HG13 H 1 0.600 0.02 . 2 . . . . . . . . 5974 1 361 . 1 1 39 39 VAL C C 13 179.563 0.2 . 1 . . . . . . . . 5974 1 362 . 1 1 40 40 TYR N N 15 126.859 0.1 . 1 . . . . . . . . 5974 1 363 . 1 1 40 40 TYR H H 1 8.508 0.02 . 1 . . . . . . . . 5974 1 364 . 1 1 40 40 TYR CA C 13 62.156 0.2 . 1 . . . . . . . . 5974 1 365 . 1 1 40 40 TYR HA H 1 4.066 0.02 . 1 . . . . . . . . 5974 1 366 . 1 1 40 40 TYR CB C 13 39.187 0.2 . 1 . . . . . . . . 5974 1 367 . 1 1 40 40 TYR HB3 H 1 3.431 0.02 . 2 . . . . . . . . 5974 1 368 . 1 1 40 40 TYR HB2 H 1 3.170 0.02 . 2 . . . . . . . . 5974 1 369 . 1 1 40 40 TYR C C 13 176.578 0.2 . 1 . . . . . . . . 5974 1 370 . 1 1 41 41 GLU N N 15 119.059 0.1 . 1 . . . . . . . . 5974 1 371 . 1 1 41 41 GLU H H 1 8.583 0.02 . 1 . . . . . . . . 5974 1 372 . 1 1 41 41 GLU CA C 13 60.984 0.2 . 1 . . . . . . . . 5974 1 373 . 1 1 41 41 GLU HA H 1 3.501 0.02 . 1 . . . . . . . . 5974 1 374 . 1 1 41 41 GLU CB C 13 30.040 0.2 . 1 . . . . . . . . 5974 1 375 . 1 1 41 41 GLU HB2 H 1 2.001 0.02 . 2 . . . . . . . . 5974 1 376 . 1 1 41 41 GLU CG C 13 38.287 0.2 . 1 . . . . . . . . 5974 1 377 . 1 1 41 41 GLU HG2 H 1 2.079 0.02 . 2 . . . . . . . . 5974 1 378 . 1 1 41 41 GLU C C 13 179.697 0.2 . 1 . . . . . . . . 5974 1 379 . 1 1 42 42 ALA N N 15 120.087 0.1 . 1 . . . . . . . . 5974 1 380 . 1 1 42 42 ALA H H 1 8.240 0.02 . 1 . . . . . . . . 5974 1 381 . 1 1 42 42 ALA CA C 13 55.570 0.2 . 1 . . . . . . . . 5974 1 382 . 1 1 42 42 ALA HA H 1 4.251 0.02 . 1 . . . . . . . . 5974 1 383 . 1 1 42 42 ALA CB C 13 19.355 0.2 . 1 . . . . . . . . 5974 1 384 . 1 1 42 42 ALA HB1 H 1 1.570 0.02 . 1 . . . . . . . . 5974 1 385 . 1 1 42 42 ALA HB2 H 1 1.570 0.02 . 1 . . . . . . . . 5974 1 386 . 1 1 42 42 ALA HB3 H 1 1.570 0.02 . 1 . . . . . . . . 5974 1 387 . 1 1 42 42 ALA C C 13 181.253 0.2 . 1 . . . . . . . . 5974 1 388 . 1 1 43 43 THR N N 15 117.259 0.1 . 1 . . . . . . . . 5974 1 389 . 1 1 43 43 THR H H 1 8.169 0.02 . 1 . . . . . . . . 5974 1 390 . 1 1 43 43 THR CA C 13 68.654 0.2 . 1 . . . . . . . . 5974 1 391 . 1 1 43 43 THR HA H 1 3.889 0.02 . 1 . . . . . . . . 5974 1 392 . 1 1 43 43 THR CB C 13 68.167 0.2 . 1 . . . . . . . . 5974 1 393 . 1 1 43 43 THR HB H 1 4.278 0.02 . 1 . . . . . . . . 5974 1 394 . 1 1 43 43 THR CG2 C 13 24.205 0.2 . 1 . . . . . . . . 5974 1 395 . 1 1 43 43 THR HG21 H 1 1.336 0.02 . 1 . . . . . . . . 5974 1 396 . 1 1 43 43 THR HG22 H 1 1.336 0.02 . 1 . . . . . . . . 5974 1 397 . 1 1 43 43 THR HG23 H 1 1.336 0.02 . 1 . . . . . . . . 5974 1 398 . 1 1 43 43 THR C C 13 176.922 0.2 . 1 . . . . . . . . 5974 1 399 . 1 1 44 44 LEU N N 15 123.098 0.1 . 1 . . . . . . . . 5974 1 400 . 1 1 44 44 LEU H H 1 8.095 0.02 . 1 . . . . . . . . 5974 1 401 . 1 1 44 44 LEU CA C 13 59.698 0.2 . 1 . . . . . . . . 5974 1 402 . 1 1 44 44 LEU HA H 1 4.032 0.02 . 1 . . . . . . . . 5974 1 403 . 1 1 44 44 LEU CB C 13 43.418 0.2 . 1 . . . . . . . . 5974 1 404 . 1 1 44 44 LEU HB2 H 1 0.950 0.02 . 2 . . . . . . . . 5974 1 405 . 1 1 44 44 LEU CD1 C 13 24.688 0.2 . 1 . . . . . . . . 5974 1 406 . 1 1 44 44 LEU HD11 H 1 0.542 0.02 . 2 . . . . . . . . 5974 1 407 . 1 1 44 44 LEU HD12 H 1 0.542 0.02 . 2 . . . . . . . . 5974 1 408 . 1 1 44 44 LEU HD13 H 1 0.542 0.02 . 2 . . . . . . . . 5974 1 409 . 1 1 44 44 LEU CD2 C 13 25.576 0.2 . 1 . . . . . . . . 5974 1 410 . 1 1 44 44 LEU HD21 H 1 0.276 0.02 . 2 . . . . . . . . 5974 1 411 . 1 1 44 44 LEU HD22 H 1 0.276 0.02 . 2 . . . . . . . . 5974 1 412 . 1 1 44 44 LEU HD23 H 1 0.276 0.02 . 2 . . . . . . . . 5974 1 413 . 1 1 44 44 LEU C C 13 179.966 0.2 . 1 . . . . . . . . 5974 1 414 . 1 1 45 45 CYS N N 15 116.278 0.1 . 1 . . . . . . . . 5974 1 415 . 1 1 45 45 CYS H H 1 8.170 0.02 . 1 . . . . . . . . 5974 1 416 . 1 1 45 45 CYS CA C 13 65.120 0.2 . 1 . . . . . . . . 5974 1 417 . 1 1 45 45 CYS HA H 1 3.940 0.02 . 1 . . . . . . . . 5974 1 418 . 1 1 45 45 CYS CB C 13 27.442 0.2 . 1 . . . . . . . . 5974 1 419 . 1 1 45 45 CYS HB2 H 1 2.740 0.02 . 2 . . . . . . . . 5974 1 420 . 1 1 45 45 CYS C C 13 177.425 0.2 . 1 . . . . . . . . 5974 1 421 . 1 1 46 46 ALA N N 15 125.558 0.1 . 1 . . . . . . . . 5974 1 422 . 1 1 46 46 ALA H H 1 8.380 0.02 . 1 . . . . . . . . 5974 1 423 . 1 1 46 46 ALA CA C 13 55.958 0.2 . 1 . . . . . . . . 5974 1 424 . 1 1 46 46 ALA HA H 1 4.355 0.02 . 1 . . . . . . . . 5974 1 425 . 1 1 46 46 ALA CB C 13 19.095 0.2 . 1 . . . . . . . . 5974 1 426 . 1 1 46 46 ALA HB1 H 1 1.613 0.02 . 1 . . . . . . . . 5974 1 427 . 1 1 46 46 ALA HB2 H 1 1.613 0.02 . 1 . . . . . . . . 5974 1 428 . 1 1 46 46 ALA HB3 H 1 1.613 0.02 . 1 . . . . . . . . 5974 1 429 . 1 1 46 46 ALA C C 13 180.348 0.2 . 1 . . . . . . . . 5974 1 430 . 1 1 47 47 ILE N N 15 120.732 0.1 . 1 . . . . . . . . 5974 1 431 . 1 1 47 47 ILE H H 1 8.273 0.02 . 1 . . . . . . . . 5974 1 432 . 1 1 47 47 ILE CA C 13 66.167 0.2 . 1 . . . . . . . . 5974 1 433 . 1 1 47 47 ILE HA H 1 3.730 0.02 . 1 . . . . . . . . 5974 1 434 . 1 1 47 47 ILE CB C 13 39.100 0.2 . 1 . . . . . . . . 5974 1 435 . 1 1 47 47 ILE HB H 1 2.296 0.02 . 1 . . . . . . . . 5974 1 436 . 1 1 47 47 ILE C C 13 179.391 0.2 . 1 . . . . . . . . 5974 1 437 . 1 1 48 48 PHE N N 15 119.900 0.1 . 1 . . . . . . . . 5974 1 438 . 1 1 48 48 PHE H H 1 8.110 0.02 . 1 . . . . . . . . 5974 1 439 . 1 1 48 48 PHE CA C 13 62.620 0.2 . 1 . . . . . . . . 5974 1 440 . 1 1 48 48 PHE HA H 1 4.017 0.02 . 1 . . . . . . . . 5974 1 441 . 1 1 48 48 PHE CB C 13 40.206 0.2 . 1 . . . . . . . . 5974 1 442 . 1 1 48 48 PHE HB2 H 1 3.116 0.02 . 2 . . . . . . . . 5974 1 443 . 1 1 48 48 PHE C C 13 175.871 0.2 . 1 . . . . . . . . 5974 1 444 . 1 1 49 49 SER N N 15 116.567 0.1 . 1 . . . . . . . . 5974 1 445 . 1 1 49 49 SER H H 1 9.125 0.02 . 1 . . . . . . . . 5974 1 446 . 1 1 49 49 SER CA C 13 62.936 0.2 . 1 . . . . . . . . 5974 1 447 . 1 1 49 49 SER HA H 1 3.902 0.02 . 1 . . . . . . . . 5974 1 448 . 1 1 49 49 SER CB C 13 63.937 0.2 . 1 . . . . . . . . 5974 1 449 . 1 1 49 49 SER HB2 H 1 4.072 0.02 . 2 . . . . . . . . 5974 1 450 . 1 1 49 49 SER C C 13 176.901 0.2 . 1 . . . . . . . . 5974 1 451 . 1 1 50 50 GLU N N 15 121.191 0.1 . 1 . . . . . . . . 5974 1 452 . 1 1 50 50 GLU H H 1 8.624 0.02 . 1 . . . . . . . . 5974 1 453 . 1 1 50 50 GLU CA C 13 59.748 0.2 . 1 . . . . . . . . 5974 1 454 . 1 1 50 50 GLU HA H 1 4.002 0.02 . 1 . . . . . . . . 5974 1 455 . 1 1 50 50 GLU CB C 13 30.026 0.2 . 1 . . . . . . . . 5974 1 456 . 1 1 50 50 GLU HB3 H 1 2.071 0.02 . 2 . . . . . . . . 5974 1 457 . 1 1 50 50 GLU HB2 H 1 2.017 0.02 . 2 . . . . . . . . 5974 1 458 . 1 1 50 50 GLU CG C 13 37.301 0.2 . 1 . . . . . . . . 5974 1 459 . 1 1 50 50 GLU HG3 H 1 2.389 0.02 . 2 . . . . . . . . 5974 1 460 . 1 1 50 50 GLU HG2 H 1 2.282 0.02 . 2 . . . . . . . . 5974 1 461 . 1 1 50 50 GLU C C 13 179.738 0.2 . 1 . . . . . . . . 5974 1 462 . 1 1 51 51 ALA N N 15 121.156 0.1 . 1 . . . . . . . . 5974 1 463 . 1 1 51 51 ALA H H 1 7.371 0.02 . 1 . . . . . . . . 5974 1 464 . 1 1 51 51 ALA CA C 13 55.669 0.2 . 1 . . . . . . . . 5974 1 465 . 1 1 51 51 ALA HA H 1 4.104 0.02 . 1 . . . . . . . . 5974 1 466 . 1 1 51 51 ALA CB C 13 20.019 0.2 . 1 . . . . . . . . 5974 1 467 . 1 1 51 51 ALA HB1 H 1 1.412 0.02 . 1 . . . . . . . . 5974 1 468 . 1 1 51 51 ALA HB2 H 1 1.412 0.02 . 1 . . . . . . . . 5974 1 469 . 1 1 51 51 ALA HB3 H 1 1.412 0.02 . 1 . . . . . . . . 5974 1 470 . 1 1 51 51 ALA C C 13 179.730 0.2 . 1 . . . . . . . . 5974 1 471 . 1 1 52 52 LYS N N 15 118.751 0.1 . 1 . . . . . . . . 5974 1 472 . 1 1 52 52 LYS H H 1 8.008 0.02 . 1 . . . . . . . . 5974 1 473 . 1 1 52 52 LYS CA C 13 61.691 0.2 . 1 . . . . . . . . 5974 1 474 . 1 1 52 52 LYS HA H 1 3.792 0.02 . 1 . . . . . . . . 5974 1 475 . 1 1 52 52 LYS CB C 13 32.582 0.2 . 1 . . . . . . . . 5974 1 476 . 1 1 52 52 LYS HB2 H 1 2.143 0.02 . 2 . . . . . . . . 5974 1 477 . 1 1 52 52 LYS CG C 13 26.039 0.2 . 1 . . . . . . . . 5974 1 478 . 1 1 52 52 LYS HG2 H 1 1.387 0.02 . 2 . . . . . . . . 5974 1 479 . 1 1 52 52 LYS CD C 13 30.790 0.2 . 1 . . . . . . . . 5974 1 480 . 1 1 52 52 LYS CE C 13 40.941 0.2 . 1 . . . . . . . . 5974 1 481 . 1 1 52 52 LYS HE2 H 1 2.359 0.02 . 2 . . . . . . . . 5974 1 482 . 1 1 52 52 LYS C C 13 178.713 0.2 . 1 . . . . . . . . 5974 1 483 . 1 1 53 53 ASP N N 15 118.618 0.1 . 1 . . . . . . . . 5974 1 484 . 1 1 53 53 ASP H H 1 8.174 0.02 . 1 . . . . . . . . 5974 1 485 . 1 1 53 53 ASP CA C 13 57.936 0.2 . 1 . . . . . . . . 5974 1 486 . 1 1 53 53 ASP HA H 1 4.290 0.02 . 1 . . . . . . . . 5974 1 487 . 1 1 53 53 ASP CB C 13 40.828 0.2 . 1 . . . . . . . . 5974 1 488 . 1 1 53 53 ASP HB3 H 1 2.647 0.02 . 2 . . . . . . . . 5974 1 489 . 1 1 53 53 ASP HB2 H 1 2.575 0.02 . 2 . . . . . . . . 5974 1 490 . 1 1 53 53 ASP C C 13 178.738 0.2 . 1 . . . . . . . . 5974 1 491 . 1 1 54 54 ARG N N 15 119.047 0.1 . 1 . . . . . . . . 5974 1 492 . 1 1 54 54 ARG H H 1 8.113 0.02 . 1 . . . . . . . . 5974 1 493 . 1 1 54 54 ARG CA C 13 59.926 0.2 . 1 . . . . . . . . 5974 1 494 . 1 1 54 54 ARG HA H 1 3.930 0.02 . 1 . . . . . . . . 5974 1 495 . 1 1 54 54 ARG CB C 13 31.017 0.2 . 1 . . . . . . . . 5974 1 496 . 1 1 54 54 ARG HB2 H 1 1.913 0.02 . 2 . . . . . . . . 5974 1 497 . 1 1 54 54 ARG CG C 13 28.140 0.2 . 1 . . . . . . . . 5974 1 498 . 1 1 54 54 ARG HG2 H 1 1.533 0.02 . 2 . . . . . . . . 5974 1 499 . 1 1 54 54 ARG CD C 13 44.057 0.2 . 1 . . . . . . . . 5974 1 500 . 1 1 54 54 ARG HD2 H 1 2.357 0.02 . 2 . . . . . . . . 5974 1 501 . 1 1 54 54 ARG C C 13 179.546 0.2 . 1 . . . . . . . . 5974 1 502 . 1 1 55 55 PHE N N 15 119.117 0.1 . 1 . . . . . . . . 5974 1 503 . 1 1 55 55 PHE H H 1 8.185 0.02 . 1 . . . . . . . . 5974 1 504 . 1 1 55 55 PHE CA C 13 62.830 0.2 . 1 . . . . . . . . 5974 1 505 . 1 1 55 55 PHE HA H 1 3.869 0.02 . 1 . . . . . . . . 5974 1 506 . 1 1 55 55 PHE CB C 13 42.528 0.2 . 1 . . . . . . . . 5974 1 507 . 1 1 55 55 PHE HB3 H 1 2.936 0.02 . 2 . . . . . . . . 5974 1 508 . 1 1 55 55 PHE HB2 H 1 2.802 0.02 . 2 . . . . . . . . 5974 1 509 . 1 1 55 55 PHE C C 13 179.044 0.2 . 1 . . . . . . . . 5974 1 510 . 1 1 56 56 CYS N N 15 113.819 0.1 . 1 . . . . . . . . 5974 1 511 . 1 1 56 56 CYS H H 1 8.310 0.02 . 1 . . . . . . . . 5974 1 512 . 1 1 56 56 CYS CA C 13 63.026 0.2 . 1 . . . . . . . . 5974 1 513 . 1 1 56 56 CYS HA H 1 3.998 0.02 . 1 . . . . . . . . 5974 1 514 . 1 1 56 56 CYS CB C 13 28.111 0.2 . 1 . . . . . . . . 5974 1 515 . 1 1 56 56 CYS HB3 H 1 3.090 0.02 . 2 . . . . . . . . 5974 1 516 . 1 1 56 56 CYS HB2 H 1 3.051 0.02 . 2 . . . . . . . . 5974 1 517 . 1 1 56 56 CYS C C 13 174.675 0.2 . 1 . . . . . . . . 5974 1 518 . 1 1 57 57 MET N N 15 114.973 0.1 . 1 . . . . . . . . 5974 1 519 . 1 1 57 57 MET H H 1 7.488 0.02 . 1 . . . . . . . . 5974 1 520 . 1 1 57 57 MET CA C 13 55.582 0.2 . 1 . . . . . . . . 5974 1 521 . 1 1 57 57 MET HA H 1 4.493 0.02 . 1 . . . . . . . . 5974 1 522 . 1 1 57 57 MET CB C 13 33.286 0.2 . 1 . . . . . . . . 5974 1 523 . 1 1 57 57 MET HB2 H 1 2.095 0.02 . 2 . . . . . . . . 5974 1 524 . 1 1 57 57 MET CG C 13 33.164 0.2 . 1 . . . . . . . . 5974 1 525 . 1 1 57 57 MET HG2 H 1 2.606 0.02 . 2 . . . . . . . . 5974 1 526 . 1 1 57 57 MET C C 13 176.585 0.2 . 1 . . . . . . . . 5974 1 527 . 1 1 58 58 ASP N N 15 122.962 0.1 . 1 . . . . . . . . 5974 1 528 . 1 1 58 58 ASP H H 1 6.713 0.02 . 1 . . . . . . . . 5974 1 529 . 1 1 58 58 ASP CA C 13 51.719 0.2 . 1 . . . . . . . . 5974 1 530 . 1 1 58 58 ASP HA H 1 4.753 0.02 . 1 . . . . . . . . 5974 1 531 . 1 1 58 58 ASP CB C 13 42.899 0.2 . 1 . . . . . . . . 5974 1 532 . 1 1 58 58 ASP HB2 H 1 2.913 0.02 . 2 . . . . . . . . 5974 1 533 . 1 1 58 58 ASP C C 13 176.072 0.2 . 1 . . . . . . . . 5974 1 534 . 1 1 59 59 PRO CA C 13 65.225 0.2 . 1 . . . . . . . . 5974 1 535 . 1 1 59 59 PRO HA H 1 4.140 0.02 . 1 . . . . . . . . 5974 1 536 . 1 1 59 59 PRO CB C 13 32.663 0.2 . 1 . . . . . . . . 5974 1 537 . 1 1 59 59 PRO HB2 H 1 1.956 0.02 . 2 . . . . . . . . 5974 1 538 . 1 1 59 59 PRO CG C 13 27.961 0.2 . 1 . . . . . . . . 5974 1 539 . 1 1 59 59 PRO HG2 H 1 2.018 0.02 . 2 . . . . . . . . 5974 1 540 . 1 1 59 59 PRO CD C 13 51.899 0.2 . 1 . . . . . . . . 5974 1 541 . 1 1 59 59 PRO HD2 H 1 2.345 0.02 . 2 . . . . . . . . 5974 1 542 . 1 1 60 60 ALA N N 15 119.472 0.1 . 1 . . . . . . . . 5974 1 543 . 1 1 60 60 ALA H H 1 8.521 0.02 . 1 . . . . . . . . 5974 1 544 . 1 1 60 60 ALA CA C 13 54.435 0.2 . 1 . . . . . . . . 5974 1 545 . 1 1 60 60 ALA HA H 1 4.183 0.02 . 1 . . . . . . . . 5974 1 546 . 1 1 60 60 ALA CB C 13 19.649 0.2 . 1 . . . . . . . . 5974 1 547 . 1 1 60 60 ALA HB1 H 1 1.312 0.02 . 1 . . . . . . . . 5974 1 548 . 1 1 60 60 ALA HB2 H 1 1.312 0.02 . 1 . . . . . . . . 5974 1 549 . 1 1 60 60 ALA HB3 H 1 1.312 0.02 . 1 . . . . . . . . 5974 1 550 . 1 1 60 60 ALA C C 13 180.269 0.2 . 1 . . . . . . . . 5974 1 551 . 1 1 61 61 THR N N 15 106.755 0.1 . 1 . . . . . . . . 5974 1 552 . 1 1 61 61 THR H H 1 7.929 0.02 . 1 . . . . . . . . 5974 1 553 . 1 1 61 61 THR CA C 13 61.188 0.2 . 1 . . . . . . . . 5974 1 554 . 1 1 61 61 THR HA H 1 4.134 0.02 . 1 . . . . . . . . 5974 1 555 . 1 1 61 61 THR CB C 13 69.492 0.2 . 1 . . . . . . . . 5974 1 556 . 1 1 61 61 THR HB H 1 4.100 0.02 . 1 . . . . . . . . 5974 1 557 . 1 1 61 61 THR CG2 C 13 20.523 0.2 . 1 . . . . . . . . 5974 1 558 . 1 1 61 61 THR HG21 H 1 -0.021 0.02 . 1 . . . . . . . . 5974 1 559 . 1 1 61 61 THR HG22 H 1 -0.021 0.02 . 1 . . . . . . . . 5974 1 560 . 1 1 61 61 THR HG23 H 1 -0.021 0.02 . 1 . . . . . . . . 5974 1 561 . 1 1 61 61 THR C C 13 173.844 0.2 . 1 . . . . . . . . 5974 1 562 . 1 1 62 62 ARG N N 15 120.495 0.1 . 1 . . . . . . . . 5974 1 563 . 1 1 62 62 ARG H H 1 7.053 0.02 . 1 . . . . . . . . 5974 1 564 . 1 1 62 62 ARG CA C 13 58.882 0.2 . 1 . . . . . . . . 5974 1 565 . 1 1 62 62 ARG HA H 1 3.824 0.02 . 1 . . . . . . . . 5974 1 566 . 1 1 62 62 ARG CB C 13 31.451 0.2 . 1 . . . . . . . . 5974 1 567 . 1 1 62 62 ARG HB2 H 1 1.836 0.02 . 2 . . . . . . . . 5974 1 568 . 1 1 62 62 ARG CG C 13 27.945 0.2 . 1 . . . . . . . . 5974 1 569 . 1 1 62 62 ARG HG3 H 1 1.862 0.02 . 2 . . . . . . . . 5974 1 570 . 1 1 62 62 ARG HG2 H 1 1.673 0.02 . 2 . . . . . . . . 5974 1 571 . 1 1 62 62 ARG CD C 13 44.350 0.2 . 1 . . . . . . . . 5974 1 572 . 1 1 62 62 ARG HD2 H 1 3.231 0.02 . 2 . . . . . . . . 5974 1 573 . 1 1 62 62 ARG C C 13 176.510 0.2 . 1 . . . . . . . . 5974 1 574 . 1 1 63 63 ALA N N 15 122.664 0.1 . 1 . . . . . . . . 5974 1 575 . 1 1 63 63 ALA H H 1 7.701 0.02 . 1 . . . . . . . . 5974 1 576 . 1 1 63 63 ALA CA C 13 53.018 0.2 . 1 . . . . . . . . 5974 1 577 . 1 1 63 63 ALA HA H 1 4.352 0.02 . 1 . . . . . . . . 5974 1 578 . 1 1 63 63 ALA CB C 13 21.086 0.2 . 1 . . . . . . . . 5974 1 579 . 1 1 63 63 ALA HB1 H 1 1.340 0.02 . 1 . . . . . . . . 5974 1 580 . 1 1 63 63 ALA HB2 H 1 1.340 0.02 . 1 . . . . . . . . 5974 1 581 . 1 1 63 63 ALA HB3 H 1 1.340 0.02 . 1 . . . . . . . . 5974 1 582 . 1 1 63 63 ALA C C 13 177.882 0.2 . 1 . . . . . . . . 5974 1 583 . 1 1 64 64 GLY N N 15 106.296 0.1 . 1 . . . . . . . . 5974 1 584 . 1 1 64 64 GLY H H 1 8.541 0.02 . 1 . . . . . . . . 5974 1 585 . 1 1 64 64 GLY CA C 13 47.095 0.2 . 1 . . . . . . . . 5974 1 586 . 1 1 64 64 GLY HA2 H 1 3.836 0.02 . 2 . . . . . . . . 5974 1 587 . 1 1 64 64 GLY C C 13 175.251 0.2 . 1 . . . . . . . . 5974 1 588 . 1 1 65 65 ASN N N 15 120.124 0.1 . 1 . . . . . . . . 5974 1 589 . 1 1 65 65 ASN H H 1 8.816 0.02 . 1 . . . . . . . . 5974 1 590 . 1 1 65 65 ASN CA C 13 53.854 0.2 . 1 . . . . . . . . 5974 1 591 . 1 1 65 65 ASN HA H 1 4.823 0.02 . 1 . . . . . . . . 5974 1 592 . 1 1 65 65 ASN CB C 13 39.195 0.2 . 1 . . . . . . . . 5974 1 593 . 1 1 65 65 ASN HB3 H 1 3.091 0.02 . 2 . . . . . . . . 5974 1 594 . 1 1 65 65 ASN HB2 H 1 2.744 0.02 . 2 . . . . . . . . 5974 1 595 . 1 1 65 65 ASN C C 13 176.423 0.2 . 1 . . . . . . . . 5974 1 596 . 1 1 66 66 VAL N N 15 115.810 0.1 . 1 . . . . . . . . 5974 1 597 . 1 1 66 66 VAL H H 1 7.496 0.02 . 1 . . . . . . . . 5974 1 598 . 1 1 66 66 VAL CA C 13 66.075 0.2 . 1 . . . . . . . . 5974 1 599 . 1 1 66 66 VAL HA H 1 4.197 0.02 . 1 . . . . . . . . 5974 1 600 . 1 1 66 66 VAL CB C 13 32.971 0.2 . 1 . . . . . . . . 5974 1 601 . 1 1 66 66 VAL HB H 1 2.546 0.02 . 1 . . . . . . . . 5974 1 602 . 1 1 66 66 VAL CG2 C 13 22.488 0.2 . 1 . . . . . . . . 5974 1 603 . 1 1 66 66 VAL HG21 H 1 1.302 0.02 . 2 . . . . . . . . 5974 1 604 . 1 1 66 66 VAL HG22 H 1 1.302 0.02 . 2 . . . . . . . . 5974 1 605 . 1 1 66 66 VAL HG23 H 1 1.302 0.02 . 2 . . . . . . . . 5974 1 606 . 1 1 66 66 VAL C C 13 178.397 0.2 . 1 . . . . . . . . 5974 1 607 . 1 1 67 67 ARG N N 15 120.104 0.1 . 1 . . . . . . . . 5974 1 608 . 1 1 67 67 ARG H H 1 9.320 0.02 . 1 . . . . . . . . 5974 1 609 . 1 1 67 67 ARG CA C 13 63.288 0.2 . 1 . . . . . . . . 5974 1 610 . 1 1 67 67 ARG HA H 1 4.465 0.02 . 1 . . . . . . . . 5974 1 611 . 1 1 67 67 ARG CB C 13 28.450 0.2 . 1 . . . . . . . . 5974 1 612 . 1 1 67 67 ARG HB2 H 1 2.143 0.02 . 2 . . . . . . . . 5974 1 613 . 1 1 67 67 ARG C C 13 175.784 0.2 . 1 . . . . . . . . 5974 1 614 . 1 1 68 68 PRO CA C 13 66.653 0.2 . 1 . . . . . . . . 5974 1 615 . 1 1 68 68 PRO HA H 1 4.226 0.02 . 1 . . . . . . . . 5974 1 616 . 1 1 68 68 PRO CB C 13 31.295 0.2 . 1 . . . . . . . . 5974 1 617 . 1 1 68 68 PRO HB2 H 1 2.345 0.02 . 2 . . . . . . . . 5974 1 618 . 1 1 68 68 PRO CG C 13 28.959 0.2 . 1 . . . . . . . . 5974 1 619 . 1 1 68 68 PRO HG2 H 1 1.800 0.02 . 2 . . . . . . . . 5974 1 620 . 1 1 69 69 ALA N N 15 121.028 0.1 . 1 . . . . . . . . 5974 1 621 . 1 1 69 69 ALA H H 1 7.243 0.02 . 1 . . . . . . . . 5974 1 622 . 1 1 69 69 ALA CA C 13 55.632 0.2 . 1 . . . . . . . . 5974 1 623 . 1 1 69 69 ALA HA H 1 4.160 0.02 . 1 . . . . . . . . 5974 1 624 . 1 1 69 69 ALA CB C 13 19.417 0.2 . 1 . . . . . . . . 5974 1 625 . 1 1 69 69 ALA HB1 H 1 1.627 0.02 . 1 . . . . . . . . 5974 1 626 . 1 1 69 69 ALA HB2 H 1 1.627 0.02 . 1 . . . . . . . . 5974 1 627 . 1 1 69 69 ALA HB3 H 1 1.627 0.02 . 1 . . . . . . . . 5974 1 628 . 1 1 69 69 ALA C C 13 180.444 0.2 . 1 . . . . . . . . 5974 1 629 . 1 1 70 70 PHE N N 15 121.949 0.1 . 1 . . . . . . . . 5974 1 630 . 1 1 70 70 PHE H H 1 8.519 0.02 . 1 . . . . . . . . 5974 1 631 . 1 1 70 70 PHE CA C 13 61.384 0.2 . 1 . . . . . . . . 5974 1 632 . 1 1 70 70 PHE HA H 1 2.924 0.02 . 1 . . . . . . . . 5974 1 633 . 1 1 70 70 PHE CB C 13 39.713 0.2 . 1 . . . . . . . . 5974 1 634 . 1 1 70 70 PHE HB2 H 1 2.182 0.02 . 2 . . . . . . . . 5974 1 635 . 1 1 70 70 PHE C C 13 176.543 0.2 . 1 . . . . . . . . 5974 1 636 . 1 1 71 71 ILE N N 15 119.288 0.1 . 1 . . . . . . . . 5974 1 637 . 1 1 71 71 ILE H H 1 8.372 0.02 . 1 . . . . . . . . 5974 1 638 . 1 1 71 71 ILE CA C 13 65.864 0.2 . 1 . . . . . . . . 5974 1 639 . 1 1 71 71 ILE HA H 1 3.070 0.02 . 1 . . . . . . . . 5974 1 640 . 1 1 71 71 ILE CB C 13 38.388 0.2 . 1 . . . . . . . . 5974 1 641 . 1 1 71 71 ILE HB H 1 1.850 0.02 . 1 . . . . . . . . 5974 1 642 . 1 1 71 71 ILE C C 13 179.966 0.2 . 1 . . . . . . . . 5974 1 643 . 1 1 72 72 GLU N N 15 122.667 0.1 . 1 . . . . . . . . 5974 1 644 . 1 1 72 72 GLU H H 1 8.016 0.02 . 1 . . . . . . . . 5974 1 645 . 1 1 72 72 GLU CA C 13 60.388 0.2 . 1 . . . . . . . . 5974 1 646 . 1 1 72 72 GLU HA H 1 4.021 0.02 . 1 . . . . . . . . 5974 1 647 . 1 1 72 72 GLU CB C 13 30.005 0.2 . 1 . . . . . . . . 5974 1 648 . 1 1 72 72 GLU HB2 H 1 2.118 0.02 . 2 . . . . . . . . 5974 1 649 . 1 1 72 72 GLU CG C 13 36.382 0.2 . 1 . . . . . . . . 5974 1 650 . 1 1 72 72 GLU HG2 H 1 2.399 0.02 . 2 . . . . . . . . 5974 1 651 . 1 1 72 72 GLU C C 13 178.887 0.2 . 1 . . . . . . . . 5974 1 652 . 1 1 73 73 ALA N N 15 124.209 0.1 . 1 . . . . . . . . 5974 1 653 . 1 1 73 73 ALA H H 1 7.915 0.02 . 1 . . . . . . . . 5974 1 654 . 1 1 73 73 ALA CA C 13 55.858 0.2 . 1 . . . . . . . . 5974 1 655 . 1 1 73 73 ALA HA H 1 4.182 0.02 . 1 . . . . . . . . 5974 1 656 . 1 1 73 73 ALA CB C 13 19.298 0.2 . 1 . . . . . . . . 5974 1 657 . 1 1 73 73 ALA HB1 H 1 1.447 0.02 . 1 . . . . . . . . 5974 1 658 . 1 1 73 73 ALA HB2 H 1 1.447 0.02 . 1 . . . . . . . . 5974 1 659 . 1 1 73 73 ALA HB3 H 1 1.447 0.02 . 1 . . . . . . . . 5974 1 660 . 1 1 73 73 ALA C C 13 181.500 0.2 . 1 . . . . . . . . 5974 1 661 . 1 1 74 74 LEU N N 15 123.031 0.1 . 1 . . . . . . . . 5974 1 662 . 1 1 74 74 LEU H H 1 9.039 0.02 . 1 . . . . . . . . 5974 1 663 . 1 1 74 74 LEU CA C 13 58.192 0.2 . 1 . . . . . . . . 5974 1 664 . 1 1 74 74 LEU HA H 1 3.708 0.02 . 1 . . . . . . . . 5974 1 665 . 1 1 74 74 LEU CB C 13 42.364 0.2 . 1 . . . . . . . . 5974 1 666 . 1 1 74 74 LEU HB3 H 1 1.444 0.02 . 2 . . . . . . . . 5974 1 667 . 1 1 74 74 LEU HB2 H 1 1.376 0.02 . 2 . . . . . . . . 5974 1 668 . 1 1 74 74 LEU CD1 C 13 25.159 0.2 . 1 . . . . . . . . 5974 1 669 . 1 1 74 74 LEU HD11 H 1 0.565 0.02 . 2 . . . . . . . . 5974 1 670 . 1 1 74 74 LEU HD12 H 1 0.565 0.02 . 2 . . . . . . . . 5974 1 671 . 1 1 74 74 LEU HD13 H 1 0.565 0.02 . 2 . . . . . . . . 5974 1 672 . 1 1 74 74 LEU CD2 C 13 26.081 0.2 . 1 . . . . . . . . 5974 1 673 . 1 1 74 74 LEU HD21 H 1 0.196 0.02 . 2 . . . . . . . . 5974 1 674 . 1 1 74 74 LEU HD22 H 1 0.196 0.02 . 2 . . . . . . . . 5974 1 675 . 1 1 74 74 LEU HD23 H 1 0.196 0.02 . 2 . . . . . . . . 5974 1 676 . 1 1 74 74 LEU C C 13 180.163 0.2 . 1 . . . . . . . . 5974 1 677 . 1 1 75 75 GLY N N 15 107.780 0.1 . 1 . . . . . . . . 5974 1 678 . 1 1 75 75 GLY H H 1 8.358 0.02 . 1 . . . . . . . . 5974 1 679 . 1 1 75 75 GLY CA C 13 49.267 0.2 . 1 . . . . . . . . 5974 1 680 . 1 1 75 75 GLY HA3 H 1 4.414 0.02 . 2 . . . . . . . . 5974 1 681 . 1 1 75 75 GLY HA2 H 1 4.024 0.02 . 2 . . . . . . . . 5974 1 682 . 1 1 75 75 GLY C C 13 176.300 0.2 . 1 . . . . . . . . 5974 1 683 . 1 1 76 76 ASP N N 15 123.722 0.1 . 1 . . . . . . . . 5974 1 684 . 1 1 76 76 ASP H H 1 8.304 0.02 . 1 . . . . . . . . 5974 1 685 . 1 1 76 76 ASP CA C 13 57.919 0.2 . 1 . . . . . . . . 5974 1 686 . 1 1 76 76 ASP HA H 1 4.369 0.02 . 1 . . . . . . . . 5974 1 687 . 1 1 76 76 ASP CB C 13 40.992 0.2 . 1 . . . . . . . . 5974 1 688 . 1 1 76 76 ASP HB3 H 1 2.825 0.02 . 2 . . . . . . . . 5974 1 689 . 1 1 76 76 ASP HB2 H 1 2.678 0.02 . 2 . . . . . . . . 5974 1 690 . 1 1 76 76 ASP C C 13 179.944 0.2 . 1 . . . . . . . . 5974 1 691 . 1 1 77 77 ALA N N 15 123.745 0.1 . 1 . . . . . . . . 5974 1 692 . 1 1 77 77 ALA H H 1 7.980 0.02 . 1 . . . . . . . . 5974 1 693 . 1 1 77 77 ALA CA C 13 55.388 0.2 . 1 . . . . . . . . 5974 1 694 . 1 1 77 77 ALA HA H 1 4.288 0.02 . 1 . . . . . . . . 5974 1 695 . 1 1 77 77 ALA CB C 13 18.111 0.2 . 1 . . . . . . . . 5974 1 696 . 1 1 77 77 ALA HB1 H 1 1.605 0.02 . 1 . . . . . . . . 5974 1 697 . 1 1 77 77 ALA HB2 H 1 1.605 0.02 . 1 . . . . . . . . 5974 1 698 . 1 1 77 77 ALA HB3 H 1 1.605 0.02 . 1 . . . . . . . . 5974 1 699 . 1 1 77 77 ALA C C 13 180.931 0.2 . 1 . . . . . . . . 5974 1 700 . 1 1 78 78 ALA N N 15 121.598 0.1 . 1 . . . . . . . . 5974 1 701 . 1 1 78 78 ALA H H 1 8.694 0.02 . 1 . . . . . . . . 5974 1 702 . 1 1 78 78 ALA CA C 13 55.228 0.2 . 1 . . . . . . . . 5974 1 703 . 1 1 78 78 ALA HA H 1 3.898 0.02 . 1 . . . . . . . . 5974 1 704 . 1 1 78 78 ALA CB C 13 18.756 0.2 . 1 . . . . . . . . 5974 1 705 . 1 1 78 78 ALA HB1 H 1 1.525 0.02 . 1 . . . . . . . . 5974 1 706 . 1 1 78 78 ALA HB2 H 1 1.525 0.02 . 1 . . . . . . . . 5974 1 707 . 1 1 78 78 ALA HB3 H 1 1.525 0.02 . 1 . . . . . . . . 5974 1 708 . 1 1 78 78 ALA C C 13 180.279 0.2 . 1 . . . . . . . . 5974 1 709 . 1 1 79 79 ARG N N 15 122.790 0.1 . 1 . . . . . . . . 5974 1 710 . 1 1 79 79 ARG H H 1 8.712 0.02 . 1 . . . . . . . . 5974 1 711 . 1 1 79 79 ARG CA C 13 59.817 0.2 . 1 . . . . . . . . 5974 1 712 . 1 1 79 79 ARG HA H 1 2.806 0.02 . 1 . . . . . . . . 5974 1 713 . 1 1 79 79 ARG CB C 13 30.431 0.2 . 1 . . . . . . . . 5974 1 714 . 1 1 79 79 ARG HB2 H 1 1.449 0.02 . 2 . . . . . . . . 5974 1 715 . 1 1 79 79 ARG CG C 13 27.413 0.2 . 1 . . . . . . . . 5974 1 716 . 1 1 79 79 ARG HG2 H 1 0.829 0.02 . 2 . . . . . . . . 5974 1 717 . 1 1 79 79 ARG CD C 13 43.931 0.2 . 1 . . . . . . . . 5974 1 718 . 1 1 79 79 ARG HD3 H 1 2.952 0.02 . 2 . . . . . . . . 5974 1 719 . 1 1 79 79 ARG HD2 H 1 2.833 0.02 . 2 . . . . . . . . 5974 1 720 . 1 1 79 79 ARG C C 13 180.612 0.2 . 1 . . . . . . . . 5974 1 721 . 1 1 80 80 ALA N N 15 120.568 0.1 . 1 . . . . . . . . 5974 1 722 . 1 1 80 80 ALA H H 1 7.452 0.02 . 1 . . . . . . . . 5974 1 723 . 1 1 80 80 ALA CA C 13 54.827 0.2 . 1 . . . . . . . . 5974 1 724 . 1 1 80 80 ALA HA H 1 4.076 0.02 . 1 . . . . . . . . 5974 1 725 . 1 1 80 80 ALA CB C 13 19.081 0.2 . 1 . . . . . . . . 5974 1 726 . 1 1 80 80 ALA HB1 H 1 1.496 0.02 . 1 . . . . . . . . 5974 1 727 . 1 1 80 80 ALA HB2 H 1 1.496 0.02 . 1 . . . . . . . . 5974 1 728 . 1 1 80 80 ALA HB3 H 1 1.496 0.02 . 1 . . . . . . . . 5974 1 729 . 1 1 80 80 ALA C C 13 179.167 0.2 . 1 . . . . . . . . 5974 1 730 . 1 1 81 81 THR N N 15 108.940 0.1 . 1 . . . . . . . . 5974 1 731 . 1 1 81 81 THR H H 1 7.259 0.02 . 1 . . . . . . . . 5974 1 732 . 1 1 81 81 THR CA C 13 64.114 0.2 . 1 . . . . . . . . 5974 1 733 . 1 1 81 81 THR HA H 1 4.161 0.02 . 1 . . . . . . . . 5974 1 734 . 1 1 81 81 THR CB C 13 70.975 0.2 . 1 . . . . . . . . 5974 1 735 . 1 1 81 81 THR HB H 1 3.898 0.02 . 1 . . . . . . . . 5974 1 736 . 1 1 81 81 THR CG2 C 13 21.950 0.2 . 1 . . . . . . . . 5974 1 737 . 1 1 81 81 THR HG21 H 1 0.884 0.02 . 1 . . . . . . . . 5974 1 738 . 1 1 81 81 THR HG22 H 1 0.884 0.02 . 1 . . . . . . . . 5974 1 739 . 1 1 81 81 THR HG23 H 1 0.884 0.02 . 1 . . . . . . . . 5974 1 740 . 1 1 81 81 THR C C 13 176.236 0.2 . 1 . . . . . . . . 5974 1 741 . 1 1 82 82 GLY N N 15 108.451 0.1 . 1 . . . . . . . . 5974 1 742 . 1 1 82 82 GLY H H 1 7.574 0.02 . 1 . . . . . . . . 5974 1 743 . 1 1 82 82 GLY CA C 13 45.581 0.2 . 1 . . . . . . . . 5974 1 744 . 1 1 82 82 GLY HA3 H 1 4.209 0.02 . 2 . . . . . . . . 5974 1 745 . 1 1 82 82 GLY HA2 H 1 3.638 0.02 . 2 . . . . . . . . 5974 1 746 . 1 1 82 82 GLY C C 13 175.019 0.2 . 1 . . . . . . . . 5974 1 747 . 1 1 83 83 LEU N N 15 123.274 0.1 . 1 . . . . . . . . 5974 1 748 . 1 1 83 83 LEU H H 1 7.083 0.02 . 1 . . . . . . . . 5974 1 749 . 1 1 83 83 LEU CA C 13 54.573 0.2 . 1 . . . . . . . . 5974 1 750 . 1 1 83 83 LEU HA H 1 4.159 0.02 . 1 . . . . . . . . 5974 1 751 . 1 1 83 83 LEU CB C 13 43.611 0.2 . 1 . . . . . . . . 5974 1 752 . 1 1 83 83 LEU HB2 H 1 1.416 0.02 . 2 . . . . . . . . 5974 1 753 . 1 1 83 83 LEU CD1 C 13 25.372 0.2 . 1 . . . . . . . . 5974 1 754 . 1 1 83 83 LEU HD11 H 1 0.629 0.02 . 2 . . . . . . . . 5974 1 755 . 1 1 83 83 LEU HD12 H 1 0.629 0.02 . 2 . . . . . . . . 5974 1 756 . 1 1 83 83 LEU HD13 H 1 0.629 0.02 . 2 . . . . . . . . 5974 1 757 . 1 1 83 83 LEU HD21 H 1 0.818 0.02 . 2 . . . . . . . . 5974 1 758 . 1 1 83 83 LEU HD22 H 1 0.818 0.02 . 2 . . . . . . . . 5974 1 759 . 1 1 83 83 LEU HD23 H 1 0.818 0.02 . 2 . . . . . . . . 5974 1 760 . 1 1 83 83 LEU C C 13 175.000 0.2 . 1 . . . . . . . . 5974 1 761 . 1 1 84 84 PRO CA C 13 63.037 0.2 . 1 . . . . . . . . 5974 1 762 . 1 1 84 84 PRO HA H 1 4.607 0.02 . 1 . . . . . . . . 5974 1 763 . 1 1 84 84 PRO CB C 13 32.626 0.2 . 1 . . . . . . . . 5974 1 764 . 1 1 84 84 PRO HB2 H 1 2.247 0.02 . 2 . . . . . . . . 5974 1 765 . 1 1 84 84 PRO CG C 13 28.389 0.2 . 1 . . . . . . . . 5974 1 766 . 1 1 84 84 PRO HG2 H 1 2.037 0.02 . 2 . . . . . . . . 5974 1 767 . 1 1 84 84 PRO CD C 13 51.300 0.2 . 1 . . . . . . . . 5974 1 768 . 1 1 84 84 PRO HD2 H 1 2.257 0.02 . 2 . . . . . . . . 5974 1 769 . 1 1 85 85 GLY N N 15 109.785 0.1 . 1 . . . . . . . . 5974 1 770 . 1 1 85 85 GLY H H 1 8.271 0.02 . 1 . . . . . . . . 5974 1 771 . 1 1 85 85 GLY CA C 13 47.176 0.2 . 1 . . . . . . . . 5974 1 772 . 1 1 85 85 GLY HA3 H 1 3.605 0.02 . 2 . . . . . . . . 5974 1 773 . 1 1 85 85 GLY HA2 H 1 3.821 0.02 . 2 . . . . . . . . 5974 1 774 . 1 1 85 85 GLY C C 13 171.181 0.2 . 1 . . . . . . . . 5974 1 775 . 1 1 86 86 ALA N N 15 120.966 0.1 . 1 . . . . . . . . 5974 1 776 . 1 1 86 86 ALA H H 1 7.110 0.02 . 1 . . . . . . . . 5974 1 777 . 1 1 86 86 ALA CA C 13 51.221 0.2 . 1 . . . . . . . . 5974 1 778 . 1 1 86 86 ALA HA H 1 4.587 0.02 . 1 . . . . . . . . 5974 1 779 . 1 1 86 86 ALA CB C 13 22.941 0.2 . 1 . . . . . . . . 5974 1 780 . 1 1 86 86 ALA HB1 H 1 1.216 0.02 . 1 . . . . . . . . 5974 1 781 . 1 1 86 86 ALA HB2 H 1 1.216 0.02 . 1 . . . . . . . . 5974 1 782 . 1 1 86 86 ALA HB3 H 1 1.216 0.02 . 1 . . . . . . . . 5974 1 783 . 1 1 86 86 ALA C C 13 175.795 0.2 . 1 . . . . . . . . 5974 1 784 . 1 1 87 87 ASP N N 15 121.945 0.1 . 1 . . . . . . . . 5974 1 785 . 1 1 87 87 ASP H H 1 8.534 0.02 . 1 . . . . . . . . 5974 1 786 . 1 1 87 87 ASP CA C 13 54.288 0.2 . 1 . . . . . . . . 5974 1 787 . 1 1 87 87 ASP HA H 1 5.016 0.02 . 1 . . . . . . . . 5974 1 788 . 1 1 87 87 ASP CB C 13 43.660 0.2 . 1 . . . . . . . . 5974 1 789 . 1 1 87 87 ASP HB2 H 1 2.431 0.02 . 2 . . . . . . . . 5974 1 790 . 1 1 87 87 ASP C C 13 176.900 0.2 . 1 . . . . . . . . 5974 1 791 . 1 1 88 88 LYS N N 15 124.755 0.1 . 1 . . . . . . . . 5974 1 792 . 1 1 88 88 LYS H H 1 8.501 0.02 . 1 . . . . . . . . 5974 1 793 . 1 1 88 88 LYS CA C 13 56.293 0.2 . 1 . . . . . . . . 5974 1 794 . 1 1 88 88 LYS HA H 1 4.473 0.02 . 1 . . . . . . . . 5974 1 795 . 1 1 88 88 LYS CB C 13 34.706 0.2 . 1 . . . . . . . . 5974 1 796 . 1 1 88 88 LYS HB3 H 1 1.756 0.02 . 2 . . . . . . . . 5974 1 797 . 1 1 88 88 LYS HB2 H 1 1.677 0.02 . 2 . . . . . . . . 5974 1 798 . 1 1 88 88 LYS CG C 13 25.405 0.2 . 1 . . . . . . . . 5974 1 799 . 1 1 88 88 LYS HG3 H 1 1.366 0.02 . 2 . . . . . . . . 5974 1 800 . 1 1 88 88 LYS HG2 H 1 1.232 0.02 . 2 . . . . . . . . 5974 1 801 . 1 1 88 88 LYS CD C 13 29.892 0.2 . 1 . . . . . . . . 5974 1 802 . 1 1 88 88 LYS HD3 H 1 1.761 0.02 . 2 . . . . . . . . 5974 1 803 . 1 1 88 88 LYS HD2 H 1 1.653 0.02 . 2 . . . . . . . . 5974 1 804 . 1 1 88 88 LYS CE C 13 42.802 0.2 . 1 . . . . . . . . 5974 1 805 . 1 1 88 88 LYS HE2 H 1 2.922 0.02 . 2 . . . . . . . . 5974 1 806 . 1 1 88 88 LYS C C 13 176.769 0.2 . 1 . . . . . . . . 5974 1 807 . 1 1 89 89 GLN N N 15 125.879 0.1 . 1 . . . . . . . . 5974 1 808 . 1 1 89 89 GLN H H 1 9.370 0.02 . 1 . . . . . . . . 5974 1 809 . 1 1 89 89 GLN CA C 13 57.331 0.2 . 1 . . . . . . . . 5974 1 810 . 1 1 89 89 GLN HA H 1 3.875 0.02 . 1 . . . . . . . . 5974 1 811 . 1 1 89 89 GLN CB C 13 28.029 0.2 . 1 . . . . . . . . 5974 1 812 . 1 1 89 89 GLN HB3 H 1 2.283 0.02 . 2 . . . . . . . . 5974 1 813 . 1 1 89 89 GLN HB2 H 1 2.024 0.02 . 2 . . . . . . . . 5974 1 814 . 1 1 89 89 GLN CG C 13 35.384 0.2 . 1 . . . . . . . . 5974 1 815 . 1 1 89 89 GLN HG2 H 1 2.329 0.02 . 2 . . . . . . . . 5974 1 816 . 1 1 89 89 GLN C C 13 176.236 0.2 . 1 . . . . . . . . 5974 1 817 . 1 1 90 90 GLY N N 15 104.988 0.1 . 1 . . . . . . . . 5974 1 818 . 1 1 90 90 GLY H H 1 8.567 0.02 . 1 . . . . . . . . 5974 1 819 . 1 1 90 90 GLY CA C 13 45.930 0.2 . 1 . . . . . . . . 5974 1 820 . 1 1 90 90 GLY HA3 H 1 3.640 0.02 . 2 . . . . . . . . 5974 1 821 . 1 1 90 90 GLY HA2 H 1 4.192 0.02 . 2 . . . . . . . . 5974 1 822 . 1 1 90 90 GLY C C 13 174.604 0.2 . 1 . . . . . . . . 5974 1 823 . 1 1 91 91 VAL N N 15 120.359 0.1 . 1 . . . . . . . . 5974 1 824 . 1 1 91 91 VAL H H 1 7.545 0.02 . 1 . . . . . . . . 5974 1 825 . 1 1 91 91 VAL CA C 13 61.699 0.2 . 1 . . . . . . . . 5974 1 826 . 1 1 91 91 VAL HA H 1 4.432 0.02 . 1 . . . . . . . . 5974 1 827 . 1 1 91 91 VAL CB C 13 34.585 0.2 . 1 . . . . . . . . 5974 1 828 . 1 1 91 91 VAL HB H 1 2.054 0.02 . 1 . . . . . . . . 5974 1 829 . 1 1 91 91 VAL CG1 C 13 22.208 0.2 . 1 . . . . . . . . 5974 1 830 . 1 1 91 91 VAL HG11 H 1 0.848 0.02 . 2 . . . . . . . . 5974 1 831 . 1 1 91 91 VAL HG12 H 1 0.848 0.02 . 2 . . . . . . . . 5974 1 832 . 1 1 91 91 VAL HG13 H 1 0.848 0.02 . 2 . . . . . . . . 5974 1 833 . 1 1 91 91 VAL C C 13 176.538 0.2 . 1 . . . . . . . . 5974 1 834 . 1 1 92 92 PHE N N 15 132.558 0.1 . 1 . . . . . . . . 5974 1 835 . 1 1 92 92 PHE H H 1 9.149 0.02 . 1 . . . . . . . . 5974 1 836 . 1 1 92 92 PHE CA C 13 59.483 0.2 . 1 . . . . . . . . 5974 1 837 . 1 1 92 92 PHE HA H 1 4.665 0.02 . 1 . . . . . . . . 5974 1 838 . 1 1 92 92 PHE CB C 13 39.767 0.2 . 1 . . . . . . . . 5974 1 839 . 1 1 92 92 PHE HB3 H 1 2.904 0.02 . 2 . . . . . . . . 5974 1 840 . 1 1 92 92 PHE HB2 H 1 2.699 0.02 . 2 . . . . . . . . 5974 1 841 . 1 1 92 92 PHE C C 13 175.263 0.2 . 1 . . . . . . . . 5974 1 842 . 1 1 93 93 THR N N 15 124.081 0.1 . 1 . . . . . . . . 5974 1 843 . 1 1 93 93 THR H H 1 7.784 0.02 . 1 . . . . . . . . 5974 1 844 . 1 1 93 93 THR CA C 13 59.551 0.2 . 1 . . . . . . . . 5974 1 845 . 1 1 93 93 THR HA H 1 4.378 0.02 . 1 . . . . . . . . 5974 1 846 . 1 1 93 93 THR CB C 13 71.528 0.2 . 1 . . . . . . . . 5974 1 847 . 1 1 93 93 THR HB H 1 3.714 0.02 . 1 . . . . . . . . 5974 1 848 . 1 1 93 93 THR CG2 C 13 20.940 0.2 . 1 . . . . . . . . 5974 1 849 . 1 1 93 93 THR HG21 H 1 1.092 0.02 . 1 . . . . . . . . 5974 1 850 . 1 1 93 93 THR HG22 H 1 1.092 0.02 . 1 . . . . . . . . 5974 1 851 . 1 1 93 93 THR HG23 H 1 1.092 0.02 . 1 . . . . . . . . 5974 1 852 . 1 1 93 93 THR C C 13 172.530 0.2 . 1 . . . . . . . . 5974 1 853 . 1 1 94 94 PRO CA C 13 62.690 0.2 . 1 . . . . . . . . 5974 1 854 . 1 1 94 94 PRO HA H 1 4.310 0.02 . 1 . . . . . . . . 5974 1 855 . 1 1 94 94 PRO CB C 13 33.238 0.2 . 1 . . . . . . . . 5974 1 856 . 1 1 94 94 PRO HB2 H 1 2.081 0.02 . 2 . . . . . . . . 5974 1 857 . 1 1 94 94 PRO CG C 13 27.409 0.2 . 1 . . . . . . . . 5974 1 858 . 1 1 94 94 PRO HG2 H 1 0.958 0.02 . 2 . . . . . . . . 5974 1 859 . 1 1 95 95 SER N N 15 120.304 0.1 . 1 . . . . . . . . 5974 1 860 . 1 1 95 95 SER H H 1 8.647 0.02 . 1 . . . . . . . . 5974 1 861 . 1 1 95 95 SER CA C 13 59.547 0.2 . 1 . . . . . . . . 5974 1 862 . 1 1 95 95 SER HA H 1 4.226 0.02 . 1 . . . . . . . . 5974 1 863 . 1 1 95 95 SER CB C 13 64.226 0.2 . 1 . . . . . . . . 5974 1 864 . 1 1 95 95 SER HB2 H 1 3.688 0.02 . 2 . . . . . . . . 5974 1 865 . 1 1 95 95 SER C C 13 176.054 0.2 . 1 . . . . . . . . 5974 1 866 . 1 1 96 96 GLY N N 15 110.431 0.1 . 1 . . . . . . . . 5974 1 867 . 1 1 96 96 GLY H H 1 8.689 0.02 . 1 . . . . . . . . 5974 1 868 . 1 1 96 96 GLY CA C 13 45.788 0.2 . 1 . . . . . . . . 5974 1 869 . 1 1 96 96 GLY HA2 H 1 3.980 0.02 . 2 . . . . . . . . 5974 1 870 . 1 1 96 96 GLY C C 13 174.362 0.2 . 1 . . . . . . . . 5974 1 871 . 1 1 97 97 ALA N N 15 122.724 0.1 . 1 . . . . . . . . 5974 1 872 . 1 1 97 97 ALA H H 1 7.854 0.02 . 1 . . . . . . . . 5974 1 873 . 1 1 97 97 ALA CA C 13 53.654 0.2 . 1 . . . . . . . . 5974 1 874 . 1 1 97 97 ALA HA H 1 4.198 0.02 . 1 . . . . . . . . 5974 1 875 . 1 1 97 97 ALA CB C 13 19.889 0.2 . 1 . . . . . . . . 5974 1 876 . 1 1 97 97 ALA HB1 H 1 1.426 0.02 . 1 . . . . . . . . 5974 1 877 . 1 1 97 97 ALA HB2 H 1 1.426 0.02 . 1 . . . . . . . . 5974 1 878 . 1 1 97 97 ALA HB3 H 1 1.426 0.02 . 1 . . . . . . . . 5974 1 879 . 1 1 97 97 ALA C C 13 178.756 0.2 . 1 . . . . . . . . 5974 1 880 . 1 1 98 98 GLY N N 15 108.785 0.1 . 1 . . . . . . . . 5974 1 881 . 1 1 98 98 GLY H H 1 8.550 0.02 . 1 . . . . . . . . 5974 1 882 . 1 1 98 98 GLY CA C 13 46.374 0.2 . 1 . . . . . . . . 5974 1 883 . 1 1 98 98 GLY HA3 H 1 4.046 0.02 . 2 . . . . . . . . 5974 1 884 . 1 1 98 98 GLY HA2 H 1 3.858 0.02 . 2 . . . . . . . . 5974 1 885 . 1 1 98 98 GLY C C 13 174.410 0.2 . 1 . . . . . . . . 5974 1 886 . 1 1 99 99 THR N N 15 115.473 0.1 . 1 . . . . . . . . 5974 1 887 . 1 1 99 99 THR H H 1 7.633 0.02 . 1 . . . . . . . . 5974 1 888 . 1 1 99 99 THR CA C 13 62.234 0.2 . 1 . . . . . . . . 5974 1 889 . 1 1 99 99 THR HA H 1 4.374 0.02 . 1 . . . . . . . . 5974 1 890 . 1 1 99 99 THR CB C 13 70.914 0.2 . 1 . . . . . . . . 5974 1 891 . 1 1 99 99 THR HB H 1 3.966 0.02 . 1 . . . . . . . . 5974 1 892 . 1 1 99 99 THR CG2 C 13 22.423 0.2 . 1 . . . . . . . . 5974 1 893 . 1 1 99 99 THR HG21 H 1 1.184 0.02 . 1 . . . . . . . . 5974 1 894 . 1 1 99 99 THR HG22 H 1 1.184 0.02 . 1 . . . . . . . . 5974 1 895 . 1 1 99 99 THR HG23 H 1 1.184 0.02 . 1 . . . . . . . . 5974 1 896 . 1 1 99 99 THR C C 13 174.061 0.2 . 1 . . . . . . . . 5974 1 897 . 1 1 100 100 ASN N N 15 125.245 0.1 . 1 . . . . . . . . 5974 1 898 . 1 1 100 100 ASN H H 1 9.097 0.02 . 1 . . . . . . . . 5974 1 899 . 1 1 100 100 ASN CA C 13 51.011 0.2 . 1 . . . . . . . . 5974 1 900 . 1 1 100 100 ASN HA H 1 4.763 0.02 . 1 . . . . . . . . 5974 1 901 . 1 1 100 100 ASN CB C 13 39.647 0.2 . 1 . . . . . . . . 5974 1 902 . 1 1 100 100 ASN HB2 H 1 2.780 0.02 . 2 . . . . . . . . 5974 1 903 . 1 1 100 100 ASN C C 13 174.145 0.2 . 1 . . . . . . . . 5974 1 904 . 1 1 101 101 PRO CA C 13 65.504 0.2 . 1 . . . . . . . . 5974 1 905 . 1 1 101 101 PRO HA H 1 4.432 0.02 . 1 . . . . . . . . 5974 1 906 . 1 1 101 101 PRO CB C 13 32.733 0.2 . 1 . . . . . . . . 5974 1 907 . 1 1 101 101 PRO HB2 H 1 3.216 0.02 . 2 . . . . . . . . 5974 1 908 . 1 1 101 101 PRO CG C 13 28.279 0.2 . 1 . . . . . . . . 5974 1 909 . 1 1 101 101 PRO HG2 H 1 1.426 0.02 . 2 . . . . . . . . 5974 1 910 . 1 1 101 101 PRO CD C 13 51.854 0.2 . 1 . . . . . . . . 5974 1 911 . 1 1 101 101 PRO HD2 H 1 3.254 0.02 . 2 . . . . . . . . 5974 1 912 . 1 1 102 102 LEU N N 15 118.739 0.1 . 1 . . . . . . . . 5974 1 913 . 1 1 102 102 LEU H H 1 8.018 0.02 . 1 . . . . . . . . 5974 1 914 . 1 1 102 102 LEU CA C 13 57.140 0.2 . 1 . . . . . . . . 5974 1 915 . 1 1 102 102 LEU HA H 1 4.304 0.02 . 1 . . . . . . . . 5974 1 916 . 1 1 102 102 LEU CB C 13 41.095 0.2 . 1 . . . . . . . . 5974 1 917 . 1 1 102 102 LEU HB2 H 1 1.499 0.02 . 2 . . . . . . . . 5974 1 918 . 1 1 102 102 LEU CG C 13 28.958 0.2 . 1 . . . . . . . . 5974 1 919 . 1 1 102 102 LEU HG H 1 1.752 0.02 . 1 . . . . . . . . 5974 1 920 . 1 1 102 102 LEU CD1 C 13 25.320 0.2 . 1 . . . . . . . . 5974 1 921 . 1 1 102 102 LEU HD11 H 1 0.888 0.02 . 2 . . . . . . . . 5974 1 922 . 1 1 102 102 LEU HD12 H 1 0.888 0.02 . 2 . . . . . . . . 5974 1 923 . 1 1 102 102 LEU HD13 H 1 0.888 0.02 . 2 . . . . . . . . 5974 1 924 . 1 1 102 102 LEU C C 13 180.129 0.2 . 1 . . . . . . . . 5974 1 925 . 1 1 103 103 TYR N N 15 119.489 0.1 . 1 . . . . . . . . 5974 1 926 . 1 1 103 103 TYR H H 1 7.237 0.02 . 1 . . . . . . . . 5974 1 927 . 1 1 103 103 TYR CA C 13 61.141 0.2 . 1 . . . . . . . . 5974 1 928 . 1 1 103 103 TYR HA H 1 4.210 0.02 . 1 . . . . . . . . 5974 1 929 . 1 1 103 103 TYR CB C 13 38.184 0.2 . 1 . . . . . . . . 5974 1 930 . 1 1 103 103 TYR HB3 H 1 3.213 0.02 . 2 . . . . . . . . 5974 1 931 . 1 1 103 103 TYR HB2 H 1 3.123 0.02 . 2 . . . . . . . . 5974 1 932 . 1 1 103 103 TYR C C 13 176.641 0.2 . 1 . . . . . . . . 5974 1 933 . 1 1 104 104 THR N N 15 116.347 0.1 . 1 . . . . . . . . 5974 1 934 . 1 1 104 104 THR H H 1 7.775 0.02 . 1 . . . . . . . . 5974 1 935 . 1 1 104 104 THR CA C 13 67.305 0.2 . 1 . . . . . . . . 5974 1 936 . 1 1 104 104 THR HA H 1 3.314 0.02 . 1 . . . . . . . . 5974 1 937 . 1 1 104 104 THR CB C 13 68.764 0.2 . 1 . . . . . . . . 5974 1 938 . 1 1 104 104 THR HB H 1 4.195 0.02 . 1 . . . . . . . . 5974 1 939 . 1 1 104 104 THR CG2 C 13 22.844 0.2 . 1 . . . . . . . . 5974 1 940 . 1 1 104 104 THR HG21 H 1 1.158 0.02 . 1 . . . . . . . . 5974 1 941 . 1 1 104 104 THR HG22 H 1 1.158 0.02 . 1 . . . . . . . . 5974 1 942 . 1 1 104 104 THR HG23 H 1 1.158 0.02 . 1 . . . . . . . . 5974 1 943 . 1 1 104 104 THR C C 13 175.900 0.2 . 1 . . . . . . . . 5974 1 944 . 1 1 105 105 GLU N N 15 119.905 0.1 . 1 . . . . . . . . 5974 1 945 . 1 1 105 105 GLU H H 1 7.610 0.02 . 1 . . . . . . . . 5974 1 946 . 1 1 105 105 GLU CA C 13 61.029 0.2 . 1 . . . . . . . . 5974 1 947 . 1 1 105 105 GLU HA H 1 3.909 0.02 . 1 . . . . . . . . 5974 1 948 . 1 1 105 105 GLU CB C 13 30.624 0.2 . 1 . . . . . . . . 5974 1 949 . 1 1 105 105 GLU HB2 H 1 2.100 0.02 . 2 . . . . . . . . 5974 1 950 . 1 1 105 105 GLU CG C 13 37.681 0.2 . 1 . . . . . . . . 5974 1 951 . 1 1 105 105 GLU HG2 H 1 2.164 0.02 . 2 . . . . . . . . 5974 1 952 . 1 1 105 105 GLU C C 13 179.712 0.2 . 1 . . . . . . . . 5974 1 953 . 1 1 106 106 ILE N N 15 120.796 0.1 . 1 . . . . . . . . 5974 1 954 . 1 1 106 106 ILE H H 1 7.973 0.02 . 1 . . . . . . . . 5974 1 955 . 1 1 106 106 ILE CA C 13 66.700 0.2 . 1 . . . . . . . . 5974 1 956 . 1 1 106 106 ILE HA H 1 3.438 0.02 . 1 . . . . . . . . 5974 1 957 . 1 1 106 106 ILE CB C 13 39.678 0.2 . 1 . . . . . . . . 5974 1 958 . 1 1 106 106 ILE HB H 1 1.944 0.02 . 1 . . . . . . . . 5974 1 959 . 1 1 106 106 ILE C C 13 176.852 0.2 . 1 . . . . . . . . 5974 1 960 . 1 1 107 107 ARG N N 15 121.161 0.1 . 1 . . . . . . . . 5974 1 961 . 1 1 107 107 ARG H H 1 8.714 0.02 . 1 . . . . . . . . 5974 1 962 . 1 1 107 107 ARG CA C 13 60.123 0.2 . 1 . . . . . . . . 5974 1 963 . 1 1 107 107 ARG HA H 1 3.809 0.02 . 1 . . . . . . . . 5974 1 964 . 1 1 107 107 ARG CB C 13 30.040 0.2 . 1 . . . . . . . . 5974 1 965 . 1 1 107 107 ARG HB2 H 1 1.560 0.02 . 2 . . . . . . . . 5974 1 966 . 1 1 107 107 ARG CG C 13 27.333 0.2 . 1 . . . . . . . . 5974 1 967 . 1 1 107 107 ARG HG2 H 1 1.542 0.02 . 2 . . . . . . . . 5974 1 968 . 1 1 107 107 ARG CD C 13 43.873 0.2 . 1 . . . . . . . . 5974 1 969 . 1 1 107 107 ARG HD2 H 1 2.881 0.02 . 2 . . . . . . . . 5974 1 970 . 1 1 107 107 ARG C C 13 178.077 0.2 . 1 . . . . . . . . 5974 1 971 . 1 1 108 108 LEU N N 15 118.010 0.1 . 1 . . . . . . . . 5974 1 972 . 1 1 108 108 LEU H H 1 8.096 0.02 . 1 . . . . . . . . 5974 1 973 . 1 1 108 108 LEU CA C 13 58.603 0.2 . 1 . . . . . . . . 5974 1 974 . 1 1 108 108 LEU HA H 1 4.038 0.02 . 1 . . . . . . . . 5974 1 975 . 1 1 108 108 LEU CB C 13 42.341 0.2 . 1 . . . . . . . . 5974 1 976 . 1 1 108 108 LEU HB2 H 1 1.547 0.02 . 2 . . . . . . . . 5974 1 977 . 1 1 108 108 LEU CG C 13 27.910 0.2 . 1 . . . . . . . . 5974 1 978 . 1 1 108 108 LEU HG H 1 1.708 0.02 . 1 . . . . . . . . 5974 1 979 . 1 1 108 108 LEU CD1 C 13 24.143 0.2 . 1 . . . . . . . . 5974 1 980 . 1 1 108 108 LEU HD11 H 1 0.843 0.02 . 2 . . . . . . . . 5974 1 981 . 1 1 108 108 LEU HD12 H 1 0.843 0.02 . 2 . . . . . . . . 5974 1 982 . 1 1 108 108 LEU HD13 H 1 0.843 0.02 . 2 . . . . . . . . 5974 1 983 . 1 1 108 108 LEU CD2 C 13 22.980 0.2 . 1 . . . . . . . . 5974 1 984 . 1 1 108 108 LEU HD21 H 1 1.214 0.02 . 2 . . . . . . . . 5974 1 985 . 1 1 108 108 LEU HD22 H 1 1.214 0.02 . 2 . . . . . . . . 5974 1 986 . 1 1 108 108 LEU HD23 H 1 1.214 0.02 . 2 . . . . . . . . 5974 1 987 . 1 1 108 108 LEU C C 13 181.200 0.2 . 1 . . . . . . . . 5974 1 988 . 1 1 109 109 ARG N N 15 119.701 0.1 . 1 . . . . . . . . 5974 1 989 . 1 1 109 109 ARG H H 1 7.875 0.02 . 1 . . . . . . . . 5974 1 990 . 1 1 109 109 ARG CA C 13 58.424 0.2 . 1 . . . . . . . . 5974 1 991 . 1 1 109 109 ARG HA H 1 4.141 0.02 . 1 . . . . . . . . 5974 1 992 . 1 1 109 109 ARG CB C 13 29.715 0.2 . 1 . . . . . . . . 5974 1 993 . 1 1 109 109 ARG HB2 H 1 1.968 0.02 . 2 . . . . . . . . 5974 1 994 . 1 1 109 109 ARG CG C 13 27.357 0.2 . 1 . . . . . . . . 5974 1 995 . 1 1 109 109 ARG HG2 H 1 1.589 0.02 . 2 . . . . . . . . 5974 1 996 . 1 1 109 109 ARG CD C 13 42.889 0.2 . 1 . . . . . . . . 5974 1 997 . 1 1 109 109 ARG HD2 H 1 3.317 0.02 . 2 . . . . . . . . 5974 1 998 . 1 1 109 109 ARG C C 13 178.632 0.2 . 1 . . . . . . . . 5974 1 999 . 1 1 110 110 ALA N N 15 123.997 0.1 . 1 . . . . . . . . 5974 1 1000 . 1 1 110 110 ALA H H 1 9.165 0.02 . 1 . . . . . . . . 5974 1 1001 . 1 1 110 110 ALA CA C 13 56.569 0.2 . 1 . . . . . . . . 5974 1 1002 . 1 1 110 110 ALA HA H 1 3.829 0.02 . 1 . . . . . . . . 5974 1 1003 . 1 1 110 110 ALA CB C 13 17.865 0.2 . 1 . . . . . . . . 5974 1 1004 . 1 1 110 110 ALA HB1 H 1 1.457 0.02 . 1 . . . . . . . . 5974 1 1005 . 1 1 110 110 ALA HB2 H 1 1.457 0.02 . 1 . . . . . . . . 5974 1 1006 . 1 1 110 110 ALA HB3 H 1 1.457 0.02 . 1 . . . . . . . . 5974 1 1007 . 1 1 110 110 ALA C C 13 179.480 0.2 . 1 . . . . . . . . 5974 1 1008 . 1 1 111 111 ASP N N 15 120.081 0.1 . 1 . . . . . . . . 5974 1 1009 . 1 1 111 111 ASP H H 1 9.005 0.02 . 1 . . . . . . . . 5974 1 1010 . 1 1 111 111 ASP CA C 13 58.401 0.2 . 1 . . . . . . . . 5974 1 1011 . 1 1 111 111 ASP HA H 1 4.150 0.02 . 1 . . . . . . . . 5974 1 1012 . 1 1 111 111 ASP CB C 13 40.523 0.2 . 1 . . . . . . . . 5974 1 1013 . 1 1 111 111 ASP HB3 H 1 2.436 0.02 . 2 . . . . . . . . 5974 1 1014 . 1 1 111 111 ASP HB2 H 1 2.909 0.02 . 2 . . . . . . . . 5974 1 1015 . 1 1 111 111 ASP C C 13 180.272 0.2 . 1 . . . . . . . . 5974 1 1016 . 1 1 112 112 THR N N 15 116.647 0.1 . 1 . . . . . . . . 5974 1 1017 . 1 1 112 112 THR H H 1 7.585 0.02 . 1 . . . . . . . . 5974 1 1018 . 1 1 112 112 THR CA C 13 66.657 0.2 . 1 . . . . . . . . 5974 1 1019 . 1 1 112 112 THR HA H 1 3.832 0.02 . 1 . . . . . . . . 5974 1 1020 . 1 1 112 112 THR CB C 13 69.491 0.2 . 1 . . . . . . . . 5974 1 1021 . 1 1 112 112 THR HB H 1 4.294 0.02 . 1 . . . . . . . . 5974 1 1022 . 1 1 112 112 THR CG2 C 13 22.034 0.2 . 1 . . . . . . . . 5974 1 1023 . 1 1 112 112 THR HG21 H 1 1.235 0.02 . 1 . . . . . . . . 5974 1 1024 . 1 1 112 112 THR HG22 H 1 1.235 0.02 . 1 . . . . . . . . 5974 1 1025 . 1 1 112 112 THR HG23 H 1 1.235 0.02 . 1 . . . . . . . . 5974 1 1026 . 1 1 112 112 THR C C 13 176.920 0.2 . 1 . . . . . . . . 5974 1 1027 . 1 1 113 113 LEU N N 15 121.575 0.1 . 1 . . . . . . . . 5974 1 1028 . 1 1 113 113 LEU H H 1 8.083 0.02 . 1 . . . . . . . . 5974 1 1029 . 1 1 113 113 LEU CA C 13 57.967 0.2 . 1 . . . . . . . . 5974 1 1030 . 1 1 113 113 LEU HA H 1 3.915 0.02 . 1 . . . . . . . . 5974 1 1031 . 1 1 113 113 LEU CB C 13 43.074 0.2 . 1 . . . . . . . . 5974 1 1032 . 1 1 113 113 LEU HB2 H 1 1.446 0.02 . 2 . . . . . . . . 5974 1 1033 . 1 1 113 113 LEU CD1 C 13 26.378 0.2 . 1 . . . . . . . . 5974 1 1034 . 1 1 113 113 LEU HD11 H 1 0.948 0.02 . 2 . . . . . . . . 5974 1 1035 . 1 1 113 113 LEU HD12 H 1 0.948 0.02 . 2 . . . . . . . . 5974 1 1036 . 1 1 113 113 LEU HD13 H 1 0.948 0.02 . 2 . . . . . . . . 5974 1 1037 . 1 1 113 113 LEU CD2 C 13 22.852 0.2 . 1 . . . . . . . . 5974 1 1038 . 1 1 113 113 LEU HD21 H 1 0.922 0.02 . 2 . . . . . . . . 5974 1 1039 . 1 1 113 113 LEU HD22 H 1 0.922 0.02 . 2 . . . . . . . . 5974 1 1040 . 1 1 113 113 LEU HD23 H 1 0.922 0.02 . 2 . . . . . . . . 5974 1 1041 . 1 1 113 113 LEU C C 13 178.757 0.2 . 1 . . . . . . . . 5974 1 1042 . 1 1 114 114 MET N N 15 114.830 0.1 . 1 . . . . . . . . 5974 1 1043 . 1 1 114 114 MET H H 1 8.208 0.02 . 1 . . . . . . . . 5974 1 1044 . 1 1 114 114 MET CA C 13 57.045 0.2 . 1 . . . . . . . . 5974 1 1045 . 1 1 114 114 MET HA H 1 2.877 0.02 . 1 . . . . . . . . 5974 1 1046 . 1 1 114 114 MET CB C 13 35.318 0.2 . 1 . . . . . . . . 5974 1 1047 . 1 1 114 114 MET HB2 H 1 1.867 0.02 . 2 . . . . . . . . 5974 1 1048 . 1 1 114 114 MET CG C 13 29.897 0.2 . 1 . . . . . . . . 5974 1 1049 . 1 1 114 114 MET HG2 H 1 1.574 0.02 . 2 . . . . . . . . 5974 1 1050 . 1 1 114 114 MET C C 13 173.807 0.2 . 1 . . . . . . . . 5974 1 1051 . 1 1 115 115 GLY N N 15 109.312 0.1 . 1 . . . . . . . . 5974 1 1052 . 1 1 115 115 GLY H H 1 7.130 0.02 . 1 . . . . . . . . 5974 1 1053 . 1 1 115 115 GLY CA C 13 45.219 0.2 . 1 . . . . . . . . 5974 1 1054 . 1 1 115 115 GLY HA3 H 1 3.756 0.02 . 2 . . . . . . . . 5974 1 1055 . 1 1 115 115 GLY HA2 H 1 4.323 0.02 . 2 . . . . . . . . 5974 1 1056 . 1 1 115 115 GLY C C 13 173.891 0.2 . 1 . . . . . . . . 5974 1 1057 . 1 1 116 116 ALA N N 15 119.326 0.1 . 1 . . . . . . . . 5974 1 1058 . 1 1 116 116 ALA H H 1 8.070 0.02 . 1 . . . . . . . . 5974 1 1059 . 1 1 116 116 ALA CA C 13 55.735 0.2 . 1 . . . . . . . . 5974 1 1060 . 1 1 116 116 ALA HA H 1 3.869 0.02 . 1 . . . . . . . . 5974 1 1061 . 1 1 116 116 ALA CB C 13 19.807 0.2 . 1 . . . . . . . . 5974 1 1062 . 1 1 116 116 ALA HB1 H 1 1.333 0.02 . 1 . . . . . . . . 5974 1 1063 . 1 1 116 116 ALA HB2 H 1 1.333 0.02 . 1 . . . . . . . . 5974 1 1064 . 1 1 116 116 ALA HB3 H 1 1.333 0.02 . 1 . . . . . . . . 5974 1 1065 . 1 1 116 116 ALA C C 13 180.823 0.2 . 1 . . . . . . . . 5974 1 1066 . 1 1 117 117 GLU N N 15 118.676 0.1 . 1 . . . . . . . . 5974 1 1067 . 1 1 117 117 GLU H H 1 8.224 0.02 . 1 . . . . . . . . 5974 1 1068 . 1 1 117 117 GLU CA C 13 60.498 0.2 . 1 . . . . . . . . 5974 1 1069 . 1 1 117 117 GLU HA H 1 3.982 0.02 . 1 . . . . . . . . 5974 1 1070 . 1 1 117 117 GLU CB C 13 29.665 0.2 . 1 . . . . . . . . 5974 1 1071 . 1 1 117 117 GLU HB2 H 1 2.003 0.02 . 2 . . . . . . . . 5974 1 1072 . 1 1 117 117 GLU CG C 13 37.350 0.2 . 1 . . . . . . . . 5974 1 1073 . 1 1 117 117 GLU HG3 H 1 2.176 0.02 . 2 . . . . . . . . 5974 1 1074 . 1 1 117 117 GLU HG2 H 1 2.296 0.02 . 2 . . . . . . . . 5974 1 1075 . 1 1 117 117 GLU C C 13 180.553 0.2 . 1 . . . . . . . . 5974 1 1076 . 1 1 118 118 LEU N N 15 121.296 0.1 . 1 . . . . . . . . 5974 1 1077 . 1 1 118 118 LEU H H 1 8.429 0.02 . 1 . . . . . . . . 5974 1 1078 . 1 1 118 118 LEU CA C 13 58.286 0.2 . 1 . . . . . . . . 5974 1 1079 . 1 1 118 118 LEU HA H 1 4.060 0.02 . 1 . . . . . . . . 5974 1 1080 . 1 1 118 118 LEU CB C 13 41.616 0.2 . 1 . . . . . . . . 5974 1 1081 . 1 1 118 118 LEU HB2 H 1 1.398 0.02 . 2 . . . . . . . . 5974 1 1082 . 1 1 118 118 LEU CG C 13 26.520 0.2 . 1 . . . . . . . . 5974 1 1083 . 1 1 118 118 LEU HG H 1 1.134 0.02 . 1 . . . . . . . . 5974 1 1084 . 1 1 118 118 LEU CD1 C 13 23.685 0.2 . 1 . . . . . . . . 5974 1 1085 . 1 1 118 118 LEU HD11 H 1 0.963 0.02 . 2 . . . . . . . . 5974 1 1086 . 1 1 118 118 LEU HD12 H 1 0.963 0.02 . 2 . . . . . . . . 5974 1 1087 . 1 1 118 118 LEU HD13 H 1 0.963 0.02 . 2 . . . . . . . . 5974 1 1088 . 1 1 118 118 LEU C C 13 178.828 0.2 . 1 . . . . . . . . 5974 1 1089 . 1 1 119 119 ALA N N 15 117.342 0.1 . 1 . . . . . . . . 5974 1 1090 . 1 1 119 119 ALA H H 1 7.431 0.02 . 1 . . . . . . . . 5974 1 1091 . 1 1 119 119 ALA CA C 13 54.123 0.2 . 1 . . . . . . . . 5974 1 1092 . 1 1 119 119 ALA HA H 1 4.039 0.02 . 1 . . . . . . . . 5974 1 1093 . 1 1 119 119 ALA CB C 13 17.903 0.2 . 1 . . . . . . . . 5974 1 1094 . 1 1 119 119 ALA HB1 H 1 1.056 0.02 . 1 . . . . . . . . 5974 1 1095 . 1 1 119 119 ALA HB2 H 1 1.056 0.02 . 1 . . . . . . . . 5974 1 1096 . 1 1 119 119 ALA HB3 H 1 1.056 0.02 . 1 . . . . . . . . 5974 1 1097 . 1 1 119 119 ALA C C 13 178.278 0.2 . 1 . . . . . . . . 5974 1 1098 . 1 1 120 120 ALA N N 15 118.357 0.1 . 1 . . . . . . . . 5974 1 1099 . 1 1 120 120 ALA H H 1 7.039 0.02 . 1 . . . . . . . . 5974 1 1100 . 1 1 120 120 ALA CA C 13 52.114 0.2 . 1 . . . . . . . . 5974 1 1101 . 1 1 120 120 ALA HA H 1 4.341 0.02 . 1 . . . . . . . . 5974 1 1102 . 1 1 120 120 ALA CB C 13 20.152 0.2 . 1 . . . . . . . . 5974 1 1103 . 1 1 120 120 ALA HB1 H 1 1.429 0.02 . 1 . . . . . . . . 5974 1 1104 . 1 1 120 120 ALA HB2 H 1 1.429 0.02 . 1 . . . . . . . . 5974 1 1105 . 1 1 120 120 ALA HB3 H 1 1.429 0.02 . 1 . . . . . . . . 5974 1 1106 . 1 1 120 120 ALA C C 13 179.081 0.2 . 1 . . . . . . . . 5974 1 1107 . 1 1 121 121 ARG N N 15 120.601 0.1 . 1 . . . . . . . . 5974 1 1108 . 1 1 121 121 ARG H H 1 7.627 0.02 . 1 . . . . . . . . 5974 1 1109 . 1 1 121 121 ARG CA C 13 54.879 0.2 . 1 . . . . . . . . 5974 1 1110 . 1 1 121 121 ARG HA H 1 4.523 0.02 . 1 . . . . . . . . 5974 1 1111 . 1 1 121 121 ARG CB C 13 28.985 0.2 . 1 . . . . . . . . 5974 1 1112 . 1 1 121 121 ARG HB3 H 1 2.125 0.02 . 2 . . . . . . . . 5974 1 1113 . 1 1 121 121 ARG HB2 H 1 2.204 0.02 . 2 . . . . . . . . 5974 1 1114 . 1 1 121 121 ARG CG C 13 28.870 0.2 . 1 . . . . . . . . 5974 1 1115 . 1 1 121 121 ARG HG2 H 1 2.000 0.02 . 2 . . . . . . . . 5974 1 1116 . 1 1 121 121 ARG CD C 13 42.980 0.2 . 1 . . . . . . . . 5974 1 1117 . 1 1 121 121 ARG HD2 H 1 3.242 0.02 . 2 . . . . . . . . 5974 1 1118 . 1 1 121 121 ARG C C 13 177.740 0.2 . 1 . . . . . . . . 5974 1 1119 . 1 1 122 122 PRO CA C 13 65.998 0.2 . 1 . . . . . . . . 5974 1 1120 . 1 1 122 122 PRO HA H 1 4.375 0.02 . 1 . . . . . . . . 5974 1 1121 . 1 1 122 122 PRO CB C 13 32.405 0.2 . 1 . . . . . . . . 5974 1 1122 . 1 1 122 122 PRO HB2 H 1 2.023 0.02 . 2 . . . . . . . . 5974 1 1123 . 1 1 122 122 PRO CG C 13 28.460 0.2 . 1 . . . . . . . . 5974 1 1124 . 1 1 122 122 PRO HG2 H 1 2.202 0.02 . 2 . . . . . . . . 5974 1 1125 . 1 1 122 122 PRO CD C 13 51.297 0.2 . 1 . . . . . . . . 5974 1 1126 . 1 1 122 122 PRO HD2 H 1 2.433 0.02 . 2 . . . . . . . . 5974 1 1127 . 1 1 123 123 GLU N N 15 117.610 0.1 . 1 . . . . . . . . 5974 1 1128 . 1 1 123 123 GLU H H 1 10.045 0.02 . 1 . . . . . . . . 5974 1 1129 . 1 1 123 123 GLU CA C 13 61.014 0.2 . 1 . . . . . . . . 5974 1 1130 . 1 1 123 123 GLU HA H 1 4.043 0.02 . 1 . . . . . . . . 5974 1 1131 . 1 1 123 123 GLU CB C 13 29.459 0.2 . 1 . . . . . . . . 5974 1 1132 . 1 1 123 123 GLU HB2 H 1 1.832 0.02 . 2 . . . . . . . . 5974 1 1133 . 1 1 123 123 GLU CG C 13 38.176 0.2 . 1 . . . . . . . . 5974 1 1134 . 1 1 123 123 GLU HG3 H 1 2.552 0.02 . 2 . . . . . . . . 5974 1 1135 . 1 1 123 123 GLU HG2 H 1 2.468 0.02 . 2 . . . . . . . . 5974 1 1136 . 1 1 123 123 GLU C C 13 178.410 0.2 . 1 . . . . . . . . 5974 1 1137 . 1 1 124 124 TYR N N 15 118.226 0.1 . 1 . . . . . . . . 5974 1 1138 . 1 1 124 124 TYR H H 1 7.653 0.02 . 1 . . . . . . . . 5974 1 1139 . 1 1 124 124 TYR CA C 13 61.003 0.2 . 1 . . . . . . . . 5974 1 1140 . 1 1 124 124 TYR HA H 1 4.269 0.02 . 1 . . . . . . . . 5974 1 1141 . 1 1 124 124 TYR CB C 13 39.057 0.2 . 1 . . . . . . . . 5974 1 1142 . 1 1 124 124 TYR HB2 H 1 3.277 0.02 . 2 . . . . . . . . 5974 1 1143 . 1 1 124 124 TYR C C 13 179.934 0.2 . 1 . . . . . . . . 5974 1 1144 . 1 1 125 125 ARG N N 15 119.953 0.1 . 1 . . . . . . . . 5974 1 1145 . 1 1 125 125 ARG H H 1 7.426 0.02 . 1 . . . . . . . . 5974 1 1146 . 1 1 125 125 ARG CA C 13 60.273 0.2 . 1 . . . . . . . . 5974 1 1147 . 1 1 125 125 ARG HA H 1 4.035 0.02 . 1 . . . . . . . . 5974 1 1148 . 1 1 125 125 ARG CB C 13 30.462 0.2 . 1 . . . . . . . . 5974 1 1149 . 1 1 125 125 ARG HB2 H 1 2.054 0.02 . 2 . . . . . . . . 5974 1 1150 . 1 1 125 125 ARG CG C 13 28.460 0.2 . 1 . . . . . . . . 5974 1 1151 . 1 1 125 125 ARG HG3 H 1 1.849 0.02 . 2 . . . . . . . . 5974 1 1152 . 1 1 125 125 ARG HG2 H 1 1.747 0.02 . 2 . . . . . . . . 5974 1 1153 . 1 1 125 125 ARG CD C 13 44.062 0.2 . 1 . . . . . . . . 5974 1 1154 . 1 1 125 125 ARG HD2 H 1 3.310 0.02 . 2 . . . . . . . . 5974 1 1155 . 1 1 125 125 ARG C C 13 180.705 0.2 . 1 . . . . . . . . 5974 1 1156 . 1 1 126 126 GLU N N 15 117.879 0.1 . 1 . . . . . . . . 5974 1 1157 . 1 1 126 126 GLU H H 1 7.576 0.02 . 1 . . . . . . . . 5974 1 1158 . 1 1 126 126 GLU CA C 13 58.716 0.2 . 1 . . . . . . . . 5974 1 1159 . 1 1 126 126 GLU HA H 1 4.117 0.02 . 1 . . . . . . . . 5974 1 1160 . 1 1 126 126 GLU CB C 13 30.270 0.2 . 1 . . . . . . . . 5974 1 1161 . 1 1 126 126 GLU HB2 H 1 2.158 0.02 . 2 . . . . . . . . 5974 1 1162 . 1 1 126 126 GLU CG C 13 37.198 0.2 . 1 . . . . . . . . 5974 1 1163 . 1 1 126 126 GLU HG3 H 1 2.406 0.02 . 2 . . . . . . . . 5974 1 1164 . 1 1 126 126 GLU HG2 H 1 2.296 0.02 . 2 . . . . . . . . 5974 1 1165 . 1 1 126 126 GLU C C 13 178.057 0.2 . 1 . . . . . . . . 5974 1 1166 . 1 1 127 127 LEU N N 15 118.524 0.1 . 1 . . . . . . . . 5974 1 1167 . 1 1 127 127 LEU H H 1 7.296 0.02 . 1 . . . . . . . . 5974 1 1168 . 1 1 127 127 LEU CA C 13 54.816 0.2 . 1 . . . . . . . . 5974 1 1169 . 1 1 127 127 LEU HA H 1 4.615 0.02 . 1 . . . . . . . . 5974 1 1170 . 1 1 127 127 LEU CB C 13 43.800 0.2 . 1 . . . . . . . . 5974 1 1171 . 1 1 127 127 LEU HB2 H 1 1.803 0.02 . 2 . . . . . . . . 5974 1 1172 . 1 1 127 127 LEU CD1 C 13 24.274 0.2 . 1 . . . . . . . . 5974 1 1173 . 1 1 127 127 LEU HD11 H 1 0.842 0.02 . 2 . . . . . . . . 5974 1 1174 . 1 1 127 127 LEU HD12 H 1 0.842 0.02 . 2 . . . . . . . . 5974 1 1175 . 1 1 127 127 LEU HD13 H 1 0.842 0.02 . 2 . . . . . . . . 5974 1 1176 . 1 1 127 127 LEU CD2 C 13 26.611 0.2 . 1 . . . . . . . . 5974 1 1177 . 1 1 127 127 LEU HD21 H 1 1.014 0.02 . 2 . . . . . . . . 5974 1 1178 . 1 1 127 127 LEU HD22 H 1 1.014 0.02 . 2 . . . . . . . . 5974 1 1179 . 1 1 127 127 LEU HD23 H 1 1.014 0.02 . 2 . . . . . . . . 5974 1 1180 . 1 1 127 127 LEU C C 13 177.770 0.2 . 1 . . . . . . . . 5974 1 1181 . 1 1 128 128 GLN N N 15 119.948 0.1 . 1 . . . . . . . . 5974 1 1182 . 1 1 128 128 GLN H H 1 7.503 0.02 . 1 . . . . . . . . 5974 1 1183 . 1 1 128 128 GLN CA C 13 60.600 0.2 . 1 . . . . . . . . 5974 1 1184 . 1 1 128 128 GLN HA H 1 4.265 0.02 . 1 . . . . . . . . 5974 1 1185 . 1 1 128 128 GLN CB C 13 26.185 0.2 . 1 . . . . . . . . 5974 1 1186 . 1 1 128 128 GLN HB2 H 1 2.220 0.02 . 2 . . . . . . . . 5974 1 1187 . 1 1 128 128 GLN HG2 H 1 2.573 0.02 . 2 . . . . . . . . 5974 1 1188 . 1 1 128 128 GLN C C 13 175.913 0.2 . 1 . . . . . . . . 5974 1 1189 . 1 1 129 129 PRO CA C 13 67.323 0.2 . 1 . . . . . . . . 5974 1 1190 . 1 1 129 129 PRO HA H 1 4.074 0.02 . 1 . . . . . . . . 5974 1 1191 . 1 1 129 129 PRO CB C 13 31.275 0.2 . 1 . . . . . . . . 5974 1 1192 . 1 1 129 129 PRO HB2 H 1 2.182 0.02 . 2 . . . . . . . . 5974 1 1193 . 1 1 129 129 PRO CG C 13 29.404 0.2 . 1 . . . . . . . . 5974 1 1194 . 1 1 129 129 PRO HG2 H 1 1.903 0.02 . 2 . . . . . . . . 5974 1 1195 . 1 1 129 129 PRO CD C 13 56.972 0.2 . 1 . . . . . . . . 5974 1 1196 . 1 1 129 129 PRO HD2 H 1 2.382 0.02 . 2 . . . . . . . . 5974 1 1197 . 1 1 130 130 TYR N N 15 119.582 0.1 . 1 . . . . . . . . 5974 1 1198 . 1 1 130 130 TYR H H 1 7.349 0.02 . 1 . . . . . . . . 5974 1 1199 . 1 1 130 130 TYR CA C 13 61.484 0.2 . 1 . . . . . . . . 5974 1 1200 . 1 1 130 130 TYR HA H 1 4.300 0.02 . 1 . . . . . . . . 5974 1 1201 . 1 1 130 130 TYR CB C 13 38.624 0.2 . 1 . . . . . . . . 5974 1 1202 . 1 1 130 130 TYR HB2 H 1 3.263 0.02 . 2 . . . . . . . . 5974 1 1203 . 1 1 130 130 TYR C C 13 177.633 0.2 . 1 . . . . . . . . 5974 1 1204 . 1 1 131 131 ALA N N 15 123.186 0.1 . 1 . . . . . . . . 5974 1 1205 . 1 1 131 131 ALA H H 1 8.136 0.02 . 1 . . . . . . . . 5974 1 1206 . 1 1 131 131 ALA CA C 13 56.406 0.2 . 1 . . . . . . . . 5974 1 1207 . 1 1 131 131 ALA HA H 1 3.633 0.02 . 1 . . . . . . . . 5974 1 1208 . 1 1 131 131 ALA CB C 13 18.903 0.2 . 1 . . . . . . . . 5974 1 1209 . 1 1 131 131 ALA HB1 H 1 1.603 0.02 . 1 . . . . . . . . 5974 1 1210 . 1 1 131 131 ALA HB2 H 1 1.603 0.02 . 1 . . . . . . . . 5974 1 1211 . 1 1 131 131 ALA HB3 H 1 1.603 0.02 . 1 . . . . . . . . 5974 1 1212 . 1 1 131 131 ALA C C 13 179.700 0.2 . 1 . . . . . . . . 5974 1 1213 . 1 1 132 132 ARG N N 15 117.172 0.1 . 1 . . . . . . . . 5974 1 1214 . 1 1 132 132 ARG H H 1 8.363 0.02 . 1 . . . . . . . . 5974 1 1215 . 1 1 132 132 ARG CA C 13 61.226 0.2 . 1 . . . . . . . . 5974 1 1216 . 1 1 132 132 ARG HA H 1 3.636 0.02 . 1 . . . . . . . . 5974 1 1217 . 1 1 132 132 ARG CB C 13 30.829 0.2 . 1 . . . . . . . . 5974 1 1218 . 1 1 132 132 ARG HB2 H 1 1.569 0.02 . 2 . . . . . . . . 5974 1 1219 . 1 1 132 132 ARG CG C 13 28.798 0.2 . 1 . . . . . . . . 5974 1 1220 . 1 1 132 132 ARG HG2 H 1 1.276 0.02 . 2 . . . . . . . . 5974 1 1221 . 1 1 132 132 ARG CD C 13 44.100 0.2 . 1 . . . . . . . . 5974 1 1222 . 1 1 132 132 ARG HD3 H 1 2.881 0.02 . 2 . . . . . . . . 5974 1 1223 . 1 1 132 132 ARG HD2 H 1 2.795 0.02 . 2 . . . . . . . . 5974 1 1224 . 1 1 132 132 ARG C C 13 180.198 0.2 . 1 . . . . . . . . 5974 1 1225 . 1 1 133 133 GLN N N 15 120.157 0.1 . 1 . . . . . . . . 5974 1 1226 . 1 1 133 133 GLN H H 1 7.954 0.02 . 1 . . . . . . . . 5974 1 1227 . 1 1 133 133 GLN CA C 13 59.175 0.2 . 1 . . . . . . . . 5974 1 1228 . 1 1 133 133 GLN HA H 1 3.905 0.02 . 1 . . . . . . . . 5974 1 1229 . 1 1 133 133 GLN CB C 13 28.525 0.2 . 1 . . . . . . . . 5974 1 1230 . 1 1 133 133 GLN HB2 H 1 2.144 0.02 . 2 . . . . . . . . 5974 1 1231 . 1 1 133 133 GLN CG C 13 34.080 0.2 . 1 . . . . . . . . 5974 1 1232 . 1 1 133 133 GLN HG2 H 1 2.367 0.02 . 2 . . . . . . . . 5974 1 1233 . 1 1 133 133 GLN C C 13 179.207 0.2 . 1 . . . . . . . . 5974 1 1234 . 1 1 134 134 GLN N N 15 118.073 0.1 . 1 . . . . . . . . 5974 1 1235 . 1 1 134 134 GLN H H 1 8.297 0.02 . 1 . . . . . . . . 5974 1 1236 . 1 1 134 134 GLN CA C 13 58.408 0.2 . 1 . . . . . . . . 5974 1 1237 . 1 1 134 134 GLN HA H 1 3.824 0.02 . 1 . . . . . . . . 5974 1 1238 . 1 1 134 134 GLN CB C 13 29.600 0.2 . 1 . . . . . . . . 5974 1 1239 . 1 1 134 134 GLN HB2 H 1 2.043 0.02 . 2 . . . . . . . . 5974 1 1240 . 1 1 134 134 GLN CG C 13 34.069 0.2 . 1 . . . . . . . . 5974 1 1241 . 1 1 134 134 GLN HG2 H 1 2.357 0.02 . 2 . . . . . . . . 5974 1 1242 . 1 1 134 134 GLN C C 13 179.516 0.2 . 1 . . . . . . . . 5974 1 1243 . 1 1 135 135 ALA N N 15 121.420 0.1 . 1 . . . . . . . . 5974 1 1244 . 1 1 135 135 ALA H H 1 7.848 0.02 . 1 . . . . . . . . 5974 1 1245 . 1 1 135 135 ALA CA C 13 55.775 0.2 . 1 . . . . . . . . 5974 1 1246 . 1 1 135 135 ALA HA H 1 3.864 0.02 . 1 . . . . . . . . 5974 1 1247 . 1 1 135 135 ALA CB C 13 18.972 0.2 . 1 . . . . . . . . 5974 1 1248 . 1 1 135 135 ALA HB1 H 1 1.494 0.02 . 1 . . . . . . . . 5974 1 1249 . 1 1 135 135 ALA HB2 H 1 1.494 0.02 . 1 . . . . . . . . 5974 1 1250 . 1 1 135 135 ALA HB3 H 1 1.494 0.02 . 1 . . . . . . . . 5974 1 1251 . 1 1 135 135 ALA C C 13 179.900 0.2 . 1 . . . . . . . . 5974 1 1252 . 1 1 136 136 ILE N N 15 120.064 0.1 . 1 . . . . . . . . 5974 1 1253 . 1 1 136 136 ILE H H 1 7.408 0.02 . 1 . . . . . . . . 5974 1 1254 . 1 1 136 136 ILE CA C 13 66.222 0.2 . 1 . . . . . . . . 5974 1 1255 . 1 1 136 136 ILE HA H 1 3.626 0.02 . 1 . . . . . . . . 5974 1 1256 . 1 1 136 136 ILE CB C 13 38.667 0.2 . 1 . . . . . . . . 5974 1 1257 . 1 1 136 136 ILE HB H 1 1.947 0.02 . 1 . . . . . . . . 5974 1 1258 . 1 1 136 136 ILE C C 13 178.039 0.2 . 1 . . . . . . . . 5974 1 1259 . 1 1 137 137 ASP N N 15 120.909 0.1 . 1 . . . . . . . . 5974 1 1260 . 1 1 137 137 ASP H H 1 8.131 0.02 . 1 . . . . . . . . 5974 1 1261 . 1 1 137 137 ASP CA C 13 57.904 0.2 . 1 . . . . . . . . 5974 1 1262 . 1 1 137 137 ASP HA H 1 4.236 0.02 . 1 . . . . . . . . 5974 1 1263 . 1 1 137 137 ASP CB C 13 40.802 0.2 . 1 . . . . . . . . 5974 1 1264 . 1 1 137 137 ASP HB2 H 1 2.582 0.02 . 2 . . . . . . . . 5974 1 1265 . 1 1 137 137 ASP C C 13 178.627 0.2 . 1 . . . . . . . . 5974 1 1266 . 1 1 138 138 LEU N N 15 120.984 0.1 . 1 . . . . . . . . 5974 1 1267 . 1 1 138 138 LEU H H 1 7.945 0.02 . 1 . . . . . . . . 5974 1 1268 . 1 1 138 138 LEU CA C 13 59.500 0.2 . 1 . . . . . . . . 5974 1 1269 . 1 1 138 138 LEU HA H 1 3.989 0.02 . 1 . . . . . . . . 5974 1 1270 . 1 1 138 138 LEU CB C 13 43.017 0.2 . 1 . . . . . . . . 5974 1 1271 . 1 1 138 138 LEU HB3 H 1 1.842 0.02 . 2 . . . . . . . . 5974 1 1272 . 1 1 138 138 LEU HB2 H 1 1.756 0.02 . 2 . . . . . . . . 5974 1 1273 . 1 1 138 138 LEU CD1 C 13 24.764 0.2 . 1 . . . . . . . . 5974 1 1274 . 1 1 138 138 LEU HD11 H 1 0.768 0.02 . 2 . . . . . . . . 5974 1 1275 . 1 1 138 138 LEU HD12 H 1 0.768 0.02 . 2 . . . . . . . . 5974 1 1276 . 1 1 138 138 LEU HD13 H 1 0.768 0.02 . 2 . . . . . . . . 5974 1 1277 . 1 1 138 138 LEU CD2 C 13 28.361 0.2 . 1 . . . . . . . . 5974 1 1278 . 1 1 138 138 LEU HD21 H 1 0.876 0.02 . 2 . . . . . . . . 5974 1 1279 . 1 1 138 138 LEU HD22 H 1 0.876 0.02 . 2 . . . . . . . . 5974 1 1280 . 1 1 138 138 LEU HD23 H 1 0.876 0.02 . 2 . . . . . . . . 5974 1 1281 . 1 1 138 138 LEU C C 13 180.568 0.2 . 1 . . . . . . . . 5974 1 1282 . 1 1 139 139 VAL N N 15 120.574 0.1 . 1 . . . . . . . . 5974 1 1283 . 1 1 139 139 VAL H H 1 7.290 0.02 . 1 . . . . . . . . 5974 1 1284 . 1 1 139 139 VAL CA C 13 68.178 0.2 . 1 . . . . . . . . 5974 1 1285 . 1 1 139 139 VAL HA H 1 3.365 0.02 . 1 . . . . . . . . 5974 1 1286 . 1 1 139 139 VAL CB C 13 32.816 0.2 . 1 . . . . . . . . 5974 1 1287 . 1 1 139 139 VAL HB H 1 2.228 0.02 . 1 . . . . . . . . 5974 1 1288 . 1 1 139 139 VAL CG2 C 13 24.698 0.2 . 1 . . . . . . . . 5974 1 1289 . 1 1 139 139 VAL HG21 H 1 1.078 0.02 . 2 . . . . . . . . 5974 1 1290 . 1 1 139 139 VAL HG22 H 1 1.078 0.02 . 2 . . . . . . . . 5974 1 1291 . 1 1 139 139 VAL HG23 H 1 1.078 0.02 . 2 . . . . . . . . 5974 1 1292 . 1 1 139 139 VAL CG1 C 13 24.698 0.2 . 1 . . . . . . . . 5974 1 1293 . 1 1 139 139 VAL HG11 H 1 0.923 0.02 . 2 . . . . . . . . 5974 1 1294 . 1 1 139 139 VAL HG12 H 1 0.923 0.02 . 2 . . . . . . . . 5974 1 1295 . 1 1 139 139 VAL HG13 H 1 0.923 0.02 . 2 . . . . . . . . 5974 1 1296 . 1 1 139 139 VAL C C 13 178.080 0.2 . 1 . . . . . . . . 5974 1 1297 . 1 1 140 140 ALA N N 15 121.488 0.1 . 1 . . . . . . . . 5974 1 1298 . 1 1 140 140 ALA H H 1 8.660 0.02 . 1 . . . . . . . . 5974 1 1299 . 1 1 140 140 ALA CA C 13 56.537 0.2 . 1 . . . . . . . . 5974 1 1300 . 1 1 140 140 ALA HA H 1 3.888 0.02 . 1 . . . . . . . . 5974 1 1301 . 1 1 140 140 ALA CB C 13 18.756 0.2 . 1 . . . . . . . . 5974 1 1302 . 1 1 140 140 ALA HB1 H 1 1.425 0.02 . 1 . . . . . . . . 5974 1 1303 . 1 1 140 140 ALA HB2 H 1 1.425 0.02 . 1 . . . . . . . . 5974 1 1304 . 1 1 140 140 ALA HB3 H 1 1.425 0.02 . 1 . . . . . . . . 5974 1 1305 . 1 1 140 140 ALA C C 13 180.279 0.2 . 1 . . . . . . . . 5974 1 1306 . 1 1 141 141 ASN N N 15 113.603 0.1 . 1 . . . . . . . . 5974 1 1307 . 1 1 141 141 ASN H H 1 8.013 0.02 . 1 . . . . . . . . 5974 1 1308 . 1 1 141 141 ASN CA C 13 55.358 0.2 . 1 . . . . . . . . 5974 1 1309 . 1 1 141 141 ASN HA H 1 4.579 0.02 . 1 . . . . . . . . 5974 1 1310 . 1 1 141 141 ASN CB C 13 39.713 0.2 . 1 . . . . . . . . 5974 1 1311 . 1 1 141 141 ASN HB2 H 1 2.790 0.02 . 2 . . . . . . . . 5974 1 1312 . 1 1 141 141 ASN C C 13 176.093 0.2 . 1 . . . . . . . . 5974 1 1313 . 1 1 142 142 ALA N N 15 121.550 0.1 . 1 . . . . . . . . 5974 1 1314 . 1 1 142 142 ALA H H 1 7.765 0.02 . 1 . . . . . . . . 5974 1 1315 . 1 1 142 142 ALA CA C 13 53.564 0.2 . 1 . . . . . . . . 5974 1 1316 . 1 1 142 142 ALA HA H 1 4.349 0.02 . 1 . . . . . . . . 5974 1 1317 . 1 1 142 142 ALA CB C 13 22.777 0.2 . 1 . . . . . . . . 5974 1 1318 . 1 1 142 142 ALA HB1 H 1 1.549 0.02 . 1 . . . . . . . . 5974 1 1319 . 1 1 142 142 ALA HB2 H 1 1.549 0.02 . 1 . . . . . . . . 5974 1 1320 . 1 1 142 142 ALA HB3 H 1 1.549 0.02 . 1 . . . . . . . . 5974 1 1321 . 1 1 142 142 ALA C C 13 177.711 0.2 . 1 . . . . . . . . 5974 1 1322 . 1 1 143 143 LEU N N 15 117.265 0.1 . 1 . . . . . . . . 5974 1 1323 . 1 1 143 143 LEU H H 1 7.332 0.02 . 1 . . . . . . . . 5974 1 1324 . 1 1 143 143 LEU CA C 13 54.096 0.2 . 1 . . . . . . . . 5974 1 1325 . 1 1 143 143 LEU HA H 1 4.254 0.02 . 1 . . . . . . . . 5974 1 1326 . 1 1 143 143 LEU CB C 13 43.579 0.2 . 1 . . . . . . . . 5974 1 1327 . 1 1 143 143 LEU HB2 H 1 1.378 0.02 . 2 . . . . . . . . 5974 1 1328 . 1 1 143 143 LEU HD11 H 1 0.800 0.02 . 2 . . . . . . . . 5974 1 1329 . 1 1 143 143 LEU HD12 H 1 0.800 0.02 . 2 . . . . . . . . 5974 1 1330 . 1 1 143 143 LEU HD13 H 1 0.800 0.02 . 2 . . . . . . . . 5974 1 1331 . 1 1 143 143 LEU C C 13 174.732 0.2 . 1 . . . . . . . . 5974 1 1332 . 1 1 144 144 PRO CA C 13 63.223 0.2 . 1 . . . . . . . . 5974 1 1333 . 1 1 144 144 PRO HA H 1 4.520 0.02 . 1 . . . . . . . . 5974 1 1334 . 1 1 144 144 PRO CB C 13 32.934 0.2 . 1 . . . . . . . . 5974 1 1335 . 1 1 144 144 PRO HB2 H 1 2.466 0.02 . 2 . . . . . . . . 5974 1 1336 . 1 1 144 144 PRO CG C 13 28.763 0.2 . 1 . . . . . . . . 5974 1 1337 . 1 1 144 144 PRO HG2 H 1 1.992 0.02 . 2 . . . . . . . . 5974 1 1338 . 1 1 144 144 PRO CD C 13 51.481 0.2 . 1 . . . . . . . . 5974 1 1339 . 1 1 144 144 PRO HD2 H 1 2.143 0.02 . 2 . . . . . . . . 5974 1 1340 . 1 1 145 145 ALA N N 15 125.594 0.1 . 1 . . . . . . . . 5974 1 1341 . 1 1 145 145 ALA H H 1 8.675 0.02 . 1 . . . . . . . . 5974 1 1342 . 1 1 145 145 ALA CA C 13 56.640 0.2 . 1 . . . . . . . . 5974 1 1343 . 1 1 145 145 ALA HA H 1 4.086 0.02 . 1 . . . . . . . . 5974 1 1344 . 1 1 145 145 ALA CB C 13 19.683 0.2 . 1 . . . . . . . . 5974 1 1345 . 1 1 145 145 ALA HB1 H 1 1.436 0.02 . 1 . . . . . . . . 5974 1 1346 . 1 1 145 145 ALA HB2 H 1 1.436 0.02 . 1 . . . . . . . . 5974 1 1347 . 1 1 145 145 ALA HB3 H 1 1.436 0.02 . 1 . . . . . . . . 5974 1 1348 . 1 1 145 145 ALA C C 13 179.364 0.2 . 1 . . . . . . . . 5974 1 1349 . 1 1 146 146 GLU N N 15 115.993 0.1 . 1 . . . . . . . . 5974 1 1350 . 1 1 146 146 GLU H H 1 9.160 0.02 . 1 . . . . . . . . 5974 1 1351 . 1 1 146 146 GLU CA C 13 60.724 0.2 . 1 . . . . . . . . 5974 1 1352 . 1 1 146 146 GLU HA H 1 4.081 0.02 . 1 . . . . . . . . 5974 1 1353 . 1 1 146 146 GLU CB C 13 29.465 0.2 . 1 . . . . . . . . 5974 1 1354 . 1 1 146 146 GLU HB2 H 1 2.003 0.02 . 2 . . . . . . . . 5974 1 1355 . 1 1 146 146 GLU CG C 13 37.002 0.2 . 1 . . . . . . . . 5974 1 1356 . 1 1 146 146 GLU HG2 H 1 2.296 0.02 . 2 . . . . . . . . 5974 1 1357 . 1 1 146 146 GLU C C 13 179.589 0.2 . 1 . . . . . . . . 5974 1 1358 . 1 1 147 147 ARG N N 15 117.148 0.1 . 1 . . . . . . . . 5974 1 1359 . 1 1 147 147 ARG H H 1 7.206 0.02 . 1 . . . . . . . . 5974 1 1360 . 1 1 147 147 ARG CA C 13 58.302 0.2 . 1 . . . . . . . . 5974 1 1361 . 1 1 147 147 ARG HA H 1 4.247 0.02 . 1 . . . . . . . . 5974 1 1362 . 1 1 147 147 ARG CB C 13 32.753 0.2 . 1 . . . . . . . . 5974 1 1363 . 1 1 147 147 ARG HB2 H 1 1.378 0.02 . 2 . . . . . . . . 5974 1 1364 . 1 1 147 147 ARG CG C 13 28.258 0.2 . 1 . . . . . . . . 5974 1 1365 . 1 1 147 147 ARG HG3 H 1 1.501 0.02 . 2 . . . . . . . . 5974 1 1366 . 1 1 147 147 ARG HG2 H 1 1.121 0.02 . 2 . . . . . . . . 5974 1 1367 . 1 1 147 147 ARG CD C 13 43.510 0.2 . 1 . . . . . . . . 5974 1 1368 . 1 1 147 147 ARG HD2 H 1 2.505 0.02 . 2 . . . . . . . . 5974 1 1369 . 1 1 147 147 ARG C C 13 178.085 0.2 . 1 . . . . . . . . 5974 1 1370 . 1 1 148 148 SER N N 15 115.117 0.1 . 1 . . . . . . . . 5974 1 1371 . 1 1 148 148 SER H H 1 8.605 0.02 . 1 . . . . . . . . 5974 1 1372 . 1 1 148 148 SER CA C 13 62.766 0.2 . 1 . . . . . . . . 5974 1 1373 . 1 1 148 148 SER HA H 1 3.950 0.02 . 1 . . . . . . . . 5974 1 1374 . 1 1 148 148 SER CB C 13 63.375 0.2 . 1 . . . . . . . . 5974 1 1375 . 1 1 148 148 SER HB2 H 1 4.089 0.02 . 2 . . . . . . . . 5974 1 1376 . 1 1 148 148 SER C C 13 177.434 0.2 . 1 . . . . . . . . 5974 1 1377 . 1 1 149 149 ASN N N 15 116.997 0.1 . 1 . . . . . . . . 5974 1 1378 . 1 1 149 149 ASN H H 1 8.647 0.02 . 1 . . . . . . . . 5974 1 1379 . 1 1 149 149 ASN CA C 13 57.211 0.2 . 1 . . . . . . . . 5974 1 1380 . 1 1 149 149 ASN HA H 1 4.470 0.02 . 1 . . . . . . . . 5974 1 1381 . 1 1 149 149 ASN CB C 13 38.710 0.2 . 1 . . . . . . . . 5974 1 1382 . 1 1 149 149 ASN HB2 H 1 2.883 0.02 . 2 . . . . . . . . 5974 1 1383 . 1 1 149 149 ASN C C 13 178.399 0.2 . 1 . . . . . . . . 5974 1 1384 . 1 1 150 150 THR N N 15 116.148 0.1 . 1 . . . . . . . . 5974 1 1385 . 1 1 150 150 THR H H 1 7.615 0.02 . 1 . . . . . . . . 5974 1 1386 . 1 1 150 150 THR CA C 13 67.227 0.2 . 1 . . . . . . . . 5974 1 1387 . 1 1 150 150 THR HA H 1 4.094 0.02 . 1 . . . . . . . . 5974 1 1388 . 1 1 150 150 THR CB C 13 69.359 0.2 . 1 . . . . . . . . 5974 1 1389 . 1 1 150 150 THR HB H 1 4.525 0.02 . 1 . . . . . . . . 5974 1 1390 . 1 1 150 150 THR CG2 C 13 23.505 0.2 . 1 . . . . . . . . 5974 1 1391 . 1 1 150 150 THR HG21 H 1 1.398 0.02 . 1 . . . . . . . . 5974 1 1392 . 1 1 150 150 THR HG22 H 1 1.398 0.02 . 1 . . . . . . . . 5974 1 1393 . 1 1 150 150 THR HG23 H 1 1.398 0.02 . 1 . . . . . . . . 5974 1 1394 . 1 1 150 150 THR C C 13 177.331 0.2 . 1 . . . . . . . . 5974 1 1395 . 1 1 151 151 LEU N N 15 124.104 0.1 . 1 . . . . . . . . 5974 1 1396 . 1 1 151 151 LEU H H 1 8.097 0.02 . 1 . . . . . . . . 5974 1 1397 . 1 1 151 151 LEU CA C 13 60.083 0.2 . 1 . . . . . . . . 5974 1 1398 . 1 1 151 151 LEU HA H 1 4.120 0.02 . 1 . . . . . . . . 5974 1 1399 . 1 1 151 151 LEU CB C 13 42.977 0.2 . 1 . . . . . . . . 5974 1 1400 . 1 1 151 151 LEU HB3 H 1 2.084 0.02 . 2 . . . . . . . . 5974 1 1401 . 1 1 151 151 LEU HB2 H 1 1.940 0.02 . 2 . . . . . . . . 5974 1 1402 . 1 1 151 151 LEU CD1 C 13 23.681 0.2 . 1 . . . . . . . . 5974 1 1403 . 1 1 151 151 LEU HD11 H 1 0.838 0.02 . 2 . . . . . . . . 5974 1 1404 . 1 1 151 151 LEU HD12 H 1 0.838 0.02 . 2 . . . . . . . . 5974 1 1405 . 1 1 151 151 LEU HD13 H 1 0.838 0.02 . 2 . . . . . . . . 5974 1 1406 . 1 1 151 151 LEU CD2 C 13 26.151 0.2 . 1 . . . . . . . . 5974 1 1407 . 1 1 151 151 LEU HD21 H 1 0.904 0.02 . 2 . . . . . . . . 5974 1 1408 . 1 1 151 151 LEU HD22 H 1 0.904 0.02 . 2 . . . . . . . . 5974 1 1409 . 1 1 151 151 LEU HD23 H 1 0.904 0.02 . 2 . . . . . . . . 5974 1 1410 . 1 1 151 151 LEU C C 13 178.731 0.2 . 1 . . . . . . . . 5974 1 1411 . 1 1 152 152 VAL N N 15 119.897 0.1 . 1 . . . . . . . . 5974 1 1412 . 1 1 152 152 VAL H H 1 8.654 0.02 . 1 . . . . . . . . 5974 1 1413 . 1 1 152 152 VAL CA C 13 67.599 0.2 . 1 . . . . . . . . 5974 1 1414 . 1 1 152 152 VAL HA H 1 3.569 0.02 . 1 . . . . . . . . 5974 1 1415 . 1 1 152 152 VAL CB C 13 32.749 0.2 . 1 . . . . . . . . 5974 1 1416 . 1 1 152 152 VAL HB H 1 2.257 0.02 . 1 . . . . . . . . 5974 1 1417 . 1 1 152 152 VAL CG2 C 13 23.192 0.2 . 1 . . . . . . . . 5974 1 1418 . 1 1 152 152 VAL HG21 H 1 1.113 0.02 . 2 . . . . . . . . 5974 1 1419 . 1 1 152 152 VAL HG22 H 1 1.113 0.02 . 2 . . . . . . . . 5974 1 1420 . 1 1 152 152 VAL HG23 H 1 1.113 0.02 . 2 . . . . . . . . 5974 1 1421 . 1 1 152 152 VAL CG1 C 13 21.470 0.2 . 1 . . . . . . . . 5974 1 1422 . 1 1 152 152 VAL HG11 H 1 0.992 0.02 . 2 . . . . . . . . 5974 1 1423 . 1 1 152 152 VAL HG12 H 1 0.992 0.02 . 2 . . . . . . . . 5974 1 1424 . 1 1 152 152 VAL HG13 H 1 0.992 0.02 . 2 . . . . . . . . 5974 1 1425 . 1 1 152 152 VAL C C 13 179.825 0.2 . 1 . . . . . . . . 5974 1 1426 . 1 1 153 153 GLU N N 15 121.046 0.1 . 1 . . . . . . . . 5974 1 1427 . 1 1 153 153 GLU H H 1 8.353 0.02 . 1 . . . . . . . . 5974 1 1428 . 1 1 153 153 GLU CA C 13 60.156 0.2 . 1 . . . . . . . . 5974 1 1429 . 1 1 153 153 GLU HA H 1 4.166 0.02 . 1 . . . . . . . . 5974 1 1430 . 1 1 153 153 GLU CB C 13 30.082 0.2 . 1 . . . . . . . . 5974 1 1431 . 1 1 153 153 GLU HB2 H 1 2.213 0.02 . 2 . . . . . . . . 5974 1 1432 . 1 1 153 153 GLU CG C 13 36.952 0.2 . 1 . . . . . . . . 5974 1 1433 . 1 1 153 153 GLU HG2 H 1 2.290 0.02 . 2 . . . . . . . . 5974 1 1434 . 1 1 153 153 GLU HG3 H 1 2.459 0.2 . 1 . . . . . . . . 5974 1 1435 . 1 1 153 153 GLU C C 13 179.803 0.2 . 1 . . . . . . . . 5974 1 1436 . 1 1 154 154 PHE N N 15 122.299 0.1 . 1 . . . . . . . . 5974 1 1437 . 1 1 154 154 PHE H H 1 8.567 0.02 . 1 . . . . . . . . 5974 1 1438 . 1 1 154 154 PHE CA C 13 61.646 0.2 . 1 . . . . . . . . 5974 1 1439 . 1 1 154 154 PHE HA H 1 4.672 0.02 . 1 . . . . . . . . 5974 1 1440 . 1 1 154 154 PHE CB C 13 39.920 0.2 . 1 . . . . . . . . 5974 1 1441 . 1 1 154 154 PHE HB2 H 1 3.389 0.02 . 2 . . . . . . . . 5974 1 1442 . 1 1 154 154 PHE C C 13 177.624 0.2 . 1 . . . . . . . . 5974 1 1443 . 1 1 155 155 ARG N N 15 119.020 0.1 . 1 . . . . . . . . 5974 1 1444 . 1 1 155 155 ARG H H 1 8.554 0.02 . 1 . . . . . . . . 5974 1 1445 . 1 1 155 155 ARG CA C 13 60.947 0.2 . 1 . . . . . . . . 5974 1 1446 . 1 1 155 155 ARG HA H 1 3.725 0.02 . 1 . . . . . . . . 5974 1 1447 . 1 1 155 155 ARG CB C 13 31.381 0.2 . 1 . . . . . . . . 5974 1 1448 . 1 1 155 155 ARG HB2 H 1 1.886 0.02 . 2 . . . . . . . . 5974 1 1449 . 1 1 155 155 ARG CG C 13 27.631 0.2 . 1 . . . . . . . . 5974 1 1450 . 1 1 155 155 ARG HG2 H 1 2.223 0.02 . 2 . . . . . . . . 5974 1 1451 . 1 1 155 155 ARG CD C 13 45.227 0.2 . 1 . . . . . . . . 5974 1 1452 . 1 1 155 155 ARG HD2 H 1 3.110 0.02 . 2 . . . . . . . . 5974 1 1453 . 1 1 155 155 ARG C C 13 179.195 0.2 . 1 . . . . . . . . 5974 1 1454 . 1 1 156 156 GLN N N 15 118.934 0.1 . 1 . . . . . . . . 5974 1 1455 . 1 1 156 156 GLN H H 1 8.048 0.02 . 1 . . . . . . . . 5974 1 1456 . 1 1 156 156 GLN CA C 13 59.510 0.2 . 1 . . . . . . . . 5974 1 1457 . 1 1 156 156 GLN HA H 1 4.117 0.02 . 1 . . . . . . . . 5974 1 1458 . 1 1 156 156 GLN CB C 13 28.989 0.2 . 1 . . . . . . . . 5974 1 1459 . 1 1 156 156 GLN HB2 H 1 2.246 0.02 . 2 . . . . . . . . 5974 1 1460 . 1 1 156 156 GLN CG C 13 34.832 0.2 . 1 . . . . . . . . 5974 1 1461 . 1 1 156 156 GLN HG2 H 1 2.468 0.02 . 2 . . . . . . . . 5974 1 1462 . 1 1 156 156 GLN C C 13 179.212 0.2 . 1 . . . . . . . . 5974 1 1463 . 1 1 157 157 THR N N 15 121.838 0.1 . 1 . . . . . . . . 5974 1 1464 . 1 1 157 157 THR H H 1 8.902 0.02 . 1 . . . . . . . . 5974 1 1465 . 1 1 157 157 THR CA C 13 67.734 0.2 . 1 . . . . . . . . 5974 1 1466 . 1 1 157 157 THR HA H 1 3.904 0.02 . 1 . . . . . . . . 5974 1 1467 . 1 1 157 157 THR CB C 13 69.271 0.2 . 1 . . . . . . . . 5974 1 1468 . 1 1 157 157 THR HB H 1 4.434 0.02 . 1 . . . . . . . . 5974 1 1469 . 1 1 157 157 THR CG2 C 13 21.219 0.2 . 1 . . . . . . . . 5974 1 1470 . 1 1 157 157 THR HG21 H 1 1.208 0.02 . 1 . . . . . . . . 5974 1 1471 . 1 1 157 157 THR HG22 H 1 1.208 0.02 . 1 . . . . . . . . 5974 1 1472 . 1 1 157 157 THR HG23 H 1 1.208 0.02 . 1 . . . . . . . . 5974 1 1473 . 1 1 157 157 THR C C 13 177.056 0.2 . 1 . . . . . . . . 5974 1 1474 . 1 1 158 158 VAL N N 15 121.462 0.1 . 1 . . . . . . . . 5974 1 1475 . 1 1 158 158 VAL H H 1 8.472 0.02 . 1 . . . . . . . . 5974 1 1476 . 1 1 158 158 VAL CA C 13 68.171 0.2 . 1 . . . . . . . . 5974 1 1477 . 1 1 158 158 VAL HA H 1 3.315 0.02 . 1 . . . . . . . . 5974 1 1478 . 1 1 158 158 VAL CB C 13 31.742 0.2 . 1 . . . . . . . . 5974 1 1479 . 1 1 158 158 VAL HB H 1 1.773 0.02 . 1 . . . . . . . . 5974 1 1480 . 1 1 158 158 VAL CG2 C 13 25.570 0.2 . 1 . . . . . . . . 5974 1 1481 . 1 1 158 158 VAL HG21 H 1 0.213 0.02 . 2 . . . . . . . . 5974 1 1482 . 1 1 158 158 VAL HG22 H 1 0.213 0.02 . 2 . . . . . . . . 5974 1 1483 . 1 1 158 158 VAL HG23 H 1 0.213 0.02 . 2 . . . . . . . . 5974 1 1484 . 1 1 158 158 VAL CG1 C 13 22.980 0.2 . 1 . . . . . . . . 5974 1 1485 . 1 1 158 158 VAL HG11 H 1 0.638 0.02 . 2 . . . . . . . . 5974 1 1486 . 1 1 158 158 VAL HG12 H 1 0.638 0.02 . 2 . . . . . . . . 5974 1 1487 . 1 1 158 158 VAL HG13 H 1 0.638 0.02 . 2 . . . . . . . . 5974 1 1488 . 1 1 158 158 VAL C C 13 177.950 0.2 . 1 . . . . . . . . 5974 1 1489 . 1 1 159 159 GLN N N 15 119.888 0.1 . 1 . . . . . . . . 5974 1 1490 . 1 1 159 159 GLN H H 1 7.895 0.02 . 1 . . . . . . . . 5974 1 1491 . 1 1 159 159 GLN CA C 13 59.921 0.2 . 1 . . . . . . . . 5974 1 1492 . 1 1 159 159 GLN HA H 1 4.290 0.02 . 1 . . . . . . . . 5974 1 1493 . 1 1 159 159 GLN CB C 13 29.409 0.2 . 1 . . . . . . . . 5974 1 1494 . 1 1 159 159 GLN HB3 H 1 2.270 0.02 . 2 . . . . . . . . 5974 1 1495 . 1 1 159 159 GLN HB2 H 1 2.156 0.02 . 2 . . . . . . . . 5974 1 1496 . 1 1 159 159 GLN CG C 13 35.072 0.2 . 1 . . . . . . . . 5974 1 1497 . 1 1 159 159 GLN HG3 H 1 2.571 0.02 . 2 . . . . . . . . 5974 1 1498 . 1 1 159 159 GLN HG2 H 1 2.417 0.02 . 2 . . . . . . . . 5974 1 1499 . 1 1 159 159 GLN C C 13 180.422 0.2 . 1 . . . . . . . . 5974 1 1500 . 1 1 160 160 THR N N 15 119.308 0.1 . 1 . . . . . . . . 5974 1 1501 . 1 1 160 160 THR H H 1 8.460 0.02 . 1 . . . . . . . . 5974 1 1502 . 1 1 160 160 THR CA C 13 67.338 0.2 . 1 . . . . . . . . 5974 1 1503 . 1 1 160 160 THR HA H 1 4.082 0.02 . 1 . . . . . . . . 5974 1 1504 . 1 1 160 160 THR CB C 13 69.061 0.2 . 1 . . . . . . . . 5974 1 1505 . 1 1 160 160 THR HB H 1 4.444 0.02 . 1 . . . . . . . . 5974 1 1506 . 1 1 160 160 THR CG2 C 13 22.390 0.2 . 1 . . . . . . . . 5974 1 1507 . 1 1 160 160 THR HG21 H 1 1.283 0.02 . 1 . . . . . . . . 5974 1 1508 . 1 1 160 160 THR HG22 H 1 1.283 0.02 . 1 . . . . . . . . 5974 1 1509 . 1 1 160 160 THR HG23 H 1 1.283 0.02 . 1 . . . . . . . . 5974 1 1510 . 1 1 160 160 THR C C 13 177.641 0.2 . 1 . . . . . . . . 5974 1 1511 . 1 1 161 161 LEU N N 15 125.282 0.1 . 1 . . . . . . . . 5974 1 1512 . 1 1 161 161 LEU H H 1 8.682 0.02 . 1 . . . . . . . . 5974 1 1513 . 1 1 161 161 LEU CA C 13 59.155 0.2 . 1 . . . . . . . . 5974 1 1514 . 1 1 161 161 LEU HA H 1 4.268 0.02 . 1 . . . . . . . . 5974 1 1515 . 1 1 161 161 LEU CB C 13 43.705 0.2 . 1 . . . . . . . . 5974 1 1516 . 1 1 161 161 LEU HB2 H 1 1.459 0.02 . 2 . . . . . . . . 5974 1 1517 . 1 1 161 161 LEU CD1 C 13 26.485 0.2 . 1 . . . . . . . . 5974 1 1518 . 1 1 161 161 LEU HD11 H 1 0.715 0.02 . 2 . . . . . . . . 5974 1 1519 . 1 1 161 161 LEU HD12 H 1 0.715 0.02 . 2 . . . . . . . . 5974 1 1520 . 1 1 161 161 LEU HD13 H 1 0.715 0.02 . 2 . . . . . . . . 5974 1 1521 . 1 1 161 161 LEU CD2 C 13 24.265 0.2 . 1 . . . . . . . . 5974 1 1522 . 1 1 161 161 LEU HD21 H 1 0.967 0.02 . 2 . . . . . . . . 5974 1 1523 . 1 1 161 161 LEU HD22 H 1 0.967 0.02 . 2 . . . . . . . . 5974 1 1524 . 1 1 161 161 LEU HD23 H 1 0.967 0.02 . 2 . . . . . . . . 5974 1 1525 . 1 1 161 161 LEU C C 13 179.953 0.2 . 1 . . . . . . . . 5974 1 1526 . 1 1 162 162 GLU N N 15 119.982 0.1 . 1 . . . . . . . . 5974 1 1527 . 1 1 162 162 GLU H H 1 8.883 0.02 . 1 . . . . . . . . 5974 1 1528 . 1 1 162 162 GLU CA C 13 61.438 0.2 . 1 . . . . . . . . 5974 1 1529 . 1 1 162 162 GLU HA H 1 3.818 0.02 . 1 . . . . . . . . 5974 1 1530 . 1 1 162 162 GLU CB C 13 31.033 0.2 . 1 . . . . . . . . 5974 1 1531 . 1 1 162 162 GLU HB3 H 1 2.297 0.02 . 2 . . . . . . . . 5974 1 1532 . 1 1 162 162 GLU HB2 H 1 2.197 0.02 . 2 . . . . . . . . 5974 1 1533 . 1 1 162 162 GLU CG C 13 38.352 0.2 . 1 . . . . . . . . 5974 1 1534 . 1 1 162 162 GLU HG2 H 1 2.559 0.02 . 2 . . . . . . . . 5974 1 1535 . 1 1 162 162 GLU C C 13 178.922 0.2 . 1 . . . . . . . . 5974 1 1536 . 1 1 163 163 ALA N N 15 120.673 0.1 . 1 . . . . . . . . 5974 1 1537 . 1 1 163 163 ALA H H 1 7.899 0.02 . 1 . . . . . . . . 5974 1 1538 . 1 1 163 163 ALA CA C 13 56.163 0.2 . 1 . . . . . . . . 5974 1 1539 . 1 1 163 163 ALA HA H 1 4.158 0.02 . 1 . . . . . . . . 5974 1 1540 . 1 1 163 163 ALA CB C 13 18.953 0.2 . 1 . . . . . . . . 5974 1 1541 . 1 1 163 163 ALA HB1 H 1 1.591 0.02 . 1 . . . . . . . . 5974 1 1542 . 1 1 163 163 ALA HB2 H 1 1.591 0.02 . 1 . . . . . . . . 5974 1 1543 . 1 1 163 163 ALA HB3 H 1 1.591 0.02 . 1 . . . . . . . . 5974 1 1544 . 1 1 163 163 ALA C C 13 181.900 0.2 . 1 . . . . . . . . 5974 1 1545 . 1 1 164 164 THR N N 15 117.291 0.1 . 1 . . . . . . . . 5974 1 1546 . 1 1 164 164 THR H H 1 8.727 0.02 . 1 . . . . . . . . 5974 1 1547 . 1 1 164 164 THR CA C 13 67.309 0.2 . 1 . . . . . . . . 5974 1 1548 . 1 1 164 164 THR HA H 1 3.862 0.02 . 1 . . . . . . . . 5974 1 1549 . 1 1 164 164 THR CB C 13 69.712 0.2 . 1 . . . . . . . . 5974 1 1550 . 1 1 164 164 THR HB H 1 4.328 0.02 . 1 . . . . . . . . 5974 1 1551 . 1 1 164 164 THR CG2 C 13 21.389 0.2 . 1 . . . . . . . . 5974 1 1552 . 1 1 164 164 THR HG21 H 1 0.885 0.02 . 1 . . . . . . . . 5974 1 1553 . 1 1 164 164 THR HG22 H 1 0.885 0.02 . 1 . . . . . . . . 5974 1 1554 . 1 1 164 164 THR HG23 H 1 0.885 0.02 . 1 . . . . . . . . 5974 1 1555 . 1 1 164 164 THR C C 13 177.949 0.2 . 1 . . . . . . . . 5974 1 1556 . 1 1 165 165 TYR N N 15 120.832 0.1 . 1 . . . . . . . . 5974 1 1557 . 1 1 165 165 TYR H H 1 8.658 0.02 . 1 . . . . . . . . 5974 1 1558 . 1 1 165 165 TYR CA C 13 64.040 0.2 . 1 . . . . . . . . 5974 1 1559 . 1 1 165 165 TYR HA H 1 4.298 0.02 . 1 . . . . . . . . 5974 1 1560 . 1 1 165 165 TYR CB C 13 38.674 0.2 . 1 . . . . . . . . 5974 1 1561 . 1 1 165 165 TYR HB3 H 1 2.911 0.02 . 2 . . . . . . . . 5974 1 1562 . 1 1 165 165 TYR HB2 H 1 2.870 0.02 . 2 . . . . . . . . 5974 1 1563 . 1 1 165 165 TYR C C 13 178.724 0.2 . 1 . . . . . . . . 5974 1 1564 . 1 1 166 166 ARG N N 15 122.574 0.1 . 1 . . . . . . . . 5974 1 1565 . 1 1 166 166 ARG H H 1 8.762 0.02 . 1 . . . . . . . . 5974 1 1566 . 1 1 166 166 ARG CA C 13 61.207 0.2 . 1 . . . . . . . . 5974 1 1567 . 1 1 166 166 ARG HA H 1 4.040 0.02 . 1 . . . . . . . . 5974 1 1568 . 1 1 166 166 ARG CB C 13 30.428 0.2 . 1 . . . . . . . . 5974 1 1569 . 1 1 166 166 ARG HB2 H 1 1.831 0.02 . 2 . . . . . . . . 5974 1 1570 . 1 1 166 166 ARG CG C 13 30.353 0.2 . 1 . . . . . . . . 5974 1 1571 . 1 1 166 166 ARG HG2 H 1 2.010 0.02 . 2 . . . . . . . . 5974 1 1572 . 1 1 166 166 ARG CD C 13 43.469 0.2 . 1 . . . . . . . . 5974 1 1573 . 1 1 166 166 ARG HD2 H 1 3.114 0.02 . 2 . . . . . . . . 5974 1 1574 . 1 1 166 166 ARG C C 13 179.938 0.2 . 1 . . . . . . . . 5974 1 1575 . 1 1 167 167 ARG N N 15 121.085 0.1 . 1 . . . . . . . . 5974 1 1576 . 1 1 167 167 ARG H H 1 7.731 0.02 . 1 . . . . . . . . 5974 1 1577 . 1 1 167 167 ARG CA C 13 59.594 0.2 . 1 . . . . . . . . 5974 1 1578 . 1 1 167 167 ARG HA H 1 4.159 0.02 . 1 . . . . . . . . 5974 1 1579 . 1 1 167 167 ARG CB C 13 29.880 0.2 . 1 . . . . . . . . 5974 1 1580 . 1 1 167 167 ARG HB2 H 1 1.977 0.02 . 2 . . . . . . . . 5974 1 1581 . 1 1 167 167 ARG CG C 13 28.007 0.2 . 1 . . . . . . . . 5974 1 1582 . 1 1 167 167 ARG HG3 H 1 1.730 0.02 . 2 . . . . . . . . 5974 1 1583 . 1 1 167 167 ARG HG2 H 1 1.684 0.02 . 2 . . . . . . . . 5974 1 1584 . 1 1 167 167 ARG CD C 13 43.880 0.2 . 1 . . . . . . . . 5974 1 1585 . 1 1 167 167 ARG HD2 H 1 3.234 0.02 . 2 . . . . . . . . 5974 1 1586 . 1 1 167 167 ARG C C 13 178.791 0.2 . 1 . . . . . . . . 5974 1 1587 . 1 1 168 168 ALA N N 15 121.699 0.1 . 1 . . . . . . . . 5974 1 1588 . 1 1 168 168 ALA H H 1 7.634 0.02 . 1 . . . . . . . . 5974 1 1589 . 1 1 168 168 ALA CA C 13 55.462 0.2 . 1 . . . . . . . . 5974 1 1590 . 1 1 168 168 ALA HA H 1 4.241 0.02 . 1 . . . . . . . . 5974 1 1591 . 1 1 168 168 ALA CB C 13 18.546 0.2 . 1 . . . . . . . . 5974 1 1592 . 1 1 168 168 ALA HB1 H 1 1.540 0.02 . 1 . . . . . . . . 5974 1 1593 . 1 1 168 168 ALA HB2 H 1 1.540 0.02 . 1 . . . . . . . . 5974 1 1594 . 1 1 168 168 ALA HB3 H 1 1.540 0.02 . 1 . . . . . . . . 5974 1 1595 . 1 1 168 168 ALA C C 13 180.954 0.2 . 1 . . . . . . . . 5974 1 1596 . 1 1 169 169 ALA N N 15 121.919 0.1 . 1 . . . . . . . . 5974 1 1597 . 1 1 169 169 ALA H H 1 8.051 0.02 . 1 . . . . . . . . 5974 1 1598 . 1 1 169 169 ALA CA C 13 55.333 0.2 . 1 . . . . . . . . 5974 1 1599 . 1 1 169 169 ALA HA H 1 4.145 0.02 . 1 . . . . . . . . 5974 1 1600 . 1 1 169 169 ALA CB C 13 19.255 0.2 . 1 . . . . . . . . 5974 1 1601 . 1 1 169 169 ALA HB1 H 1 1.614 0.02 . 1 . . . . . . . . 5974 1 1602 . 1 1 169 169 ALA HB2 H 1 1.614 0.02 . 1 . . . . . . . . 5974 1 1603 . 1 1 169 169 ALA HB3 H 1 1.614 0.02 . 1 . . . . . . . . 5974 1 1604 . 1 1 169 169 ALA C C 13 179.841 0.2 . 1 . . . . . . . . 5974 1 1605 . 1 1 170 170 GLN N N 15 119.417 0.1 . 1 . . . . . . . . 5974 1 1606 . 1 1 170 170 GLN H H 1 7.898 0.02 . 1 . . . . . . . . 5974 1 1607 . 1 1 170 170 GLN CA C 13 58.924 0.2 . 1 . . . . . . . . 5974 1 1608 . 1 1 170 170 GLN HA H 1 4.092 0.02 . 1 . . . . . . . . 5974 1 1609 . 1 1 170 170 GLN CB C 13 29.409 0.2 . 1 . . . . . . . . 5974 1 1610 . 1 1 170 170 GLN HB3 H 1 2.210 0.02 . 2 . . . . . . . . 5974 1 1611 . 1 1 170 170 GLN HB2 H 1 2.165 0.02 . 2 . . . . . . . . 5974 1 1612 . 1 1 170 170 GLN CG C 13 34.730 0.2 . 1 . . . . . . . . 5974 1 1613 . 1 1 170 170 GLN HG3 H 1 2.488 0.02 . 2 . . . . . . . . 5974 1 1614 . 1 1 170 170 GLN HG2 H 1 2.413 0.02 . 2 . . . . . . . . 5974 1 1615 . 1 1 170 170 GLN C C 13 179.299 0.2 . 1 . . . . . . . . 5974 1 1616 . 1 1 171 171 ASP N N 15 121.120 0.1 . 1 . . . . . . . . 5974 1 1617 . 1 1 171 171 ASP H H 1 8.303 0.02 . 1 . . . . . . . . 5974 1 1618 . 1 1 171 171 ASP CA C 13 57.079 0.2 . 1 . . . . . . . . 5974 1 1619 . 1 1 171 171 ASP HA H 1 4.447 0.02 . 1 . . . . . . . . 5974 1 1620 . 1 1 171 171 ASP CB C 13 41.096 0.2 . 1 . . . . . . . . 5974 1 1621 . 1 1 171 171 ASP HB2 H 1 2.713 0.02 . 2 . . . . . . . . 5974 1 1622 . 1 1 171 171 ASP C C 13 178.170 0.2 . 1 . . . . . . . . 5974 1 1623 . 1 1 172 172 ALA N N 15 122.524 0.1 . 1 . . . . . . . . 5974 1 1624 . 1 1 172 172 ALA H H 1 7.840 0.02 . 1 . . . . . . . . 5974 1 1625 . 1 1 172 172 ALA CA C 13 54.332 0.2 . 1 . . . . . . . . 5974 1 1626 . 1 1 172 172 ALA HA H 1 4.286 0.02 . 1 . . . . . . . . 5974 1 1627 . 1 1 172 172 ALA CB C 13 19.889 0.2 . 1 . . . . . . . . 5974 1 1628 . 1 1 172 172 ALA HB1 H 1 1.443 0.02 . 1 . . . . . . . . 5974 1 1629 . 1 1 172 172 ALA HB2 H 1 1.443 0.02 . 1 . . . . . . . . 5974 1 1630 . 1 1 172 172 ALA HB3 H 1 1.443 0.02 . 1 . . . . . . . . 5974 1 1631 . 1 1 172 172 ALA C C 13 179.518 0.2 . 1 . . . . . . . . 5974 1 1632 . 1 1 173 173 SER N N 15 114.310 0.1 . 1 . . . . . . . . 5974 1 1633 . 1 1 173 173 SER H H 1 8.012 0.02 . 1 . . . . . . . . 5974 1 1634 . 1 1 173 173 SER CA C 13 60.309 0.2 . 1 . . . . . . . . 5974 1 1635 . 1 1 173 173 SER HA H 1 4.308 0.02 . 1 . . . . . . . . 5974 1 1636 . 1 1 173 173 SER CB C 13 64.186 0.2 . 1 . . . . . . . . 5974 1 1637 . 1 1 173 173 SER HB3 H 1 4.017 0.02 . 2 . . . . . . . . 5974 1 1638 . 1 1 173 173 SER HB2 H 1 3.959 0.02 . 2 . . . . . . . . 5974 1 1639 . 1 1 173 173 SER C C 13 175.796 0.2 . 1 . . . . . . . . 5974 1 1640 . 1 1 174 174 ARG N N 15 122.514 0.1 . 1 . . . . . . . . 5974 1 1641 . 1 1 174 174 ARG H H 1 7.814 0.02 . 1 . . . . . . . . 5974 1 1642 . 1 1 174 174 ARG CA C 13 57.840 0.2 . 1 . . . . . . . . 5974 1 1643 . 1 1 174 174 ARG HA H 1 4.250 0.02 . 1 . . . . . . . . 5974 1 1644 . 1 1 174 174 ARG CB C 13 31.332 0.2 . 1 . . . . . . . . 5974 1 1645 . 1 1 174 174 ARG HB3 H 1 1.928 0.02 . 2 . . . . . . . . 5974 1 1646 . 1 1 174 174 ARG HB2 H 1 1.884 0.02 . 2 . . . . . . . . 5974 1 1647 . 1 1 174 174 ARG CG C 13 27.809 0.2 . 1 . . . . . . . . 5974 1 1648 . 1 1 174 174 ARG HG3 H 1 1.741 0.02 . 2 . . . . . . . . 5974 1 1649 . 1 1 174 174 ARG HG2 H 1 1.628 0.02 . 2 . . . . . . . . 5974 1 1650 . 1 1 174 174 ARG CD C 13 44.065 0.2 . 1 . . . . . . . . 5974 1 1651 . 1 1 174 174 ARG HD3 H 1 3.332 0.02 . 2 . . . . . . . . 5974 1 1652 . 1 1 174 174 ARG HD2 H 1 3.232 0.02 . 2 . . . . . . . . 5974 1 1653 . 1 1 174 174 ARG C C 13 177.290 0.2 . 1 . . . . . . . . 5974 1 1654 . 1 1 175 175 ASP N N 15 120.753 0.1 . 1 . . . . . . . . 5974 1 1655 . 1 1 175 175 ASP H H 1 8.125 0.02 . 1 . . . . . . . . 5974 1 1656 . 1 1 175 175 ASP CA C 13 55.379 0.2 . 1 . . . . . . . . 5974 1 1657 . 1 1 175 175 ASP HA H 1 4.607 0.02 . 1 . . . . . . . . 5974 1 1658 . 1 1 175 175 ASP CB C 13 41.924 0.2 . 1 . . . . . . . . 5974 1 1659 . 1 1 175 175 ASP HB3 H 1 2.756 0.02 . 2 . . . . . . . . 5974 1 1660 . 1 1 175 175 ASP HB2 H 1 2.637 0.02 . 2 . . . . . . . . 5974 1 1661 . 1 1 175 175 ASP C C 13 177.305 0.2 . 1 . . . . . . . . 5974 1 1662 . 1 1 176 176 GLU N N 15 121.857 0.1 . 1 . . . . . . . . 5974 1 1663 . 1 1 176 176 GLU H H 1 8.201 0.02 . 1 . . . . . . . . 5974 1 1664 . 1 1 176 176 GLU CA C 13 57.774 0.2 . 1 . . . . . . . . 5974 1 1665 . 1 1 176 176 GLU HA H 1 4.253 0.02 . 1 . . . . . . . . 5974 1 1666 . 1 1 176 176 GLU CB C 13 30.720 0.2 . 1 . . . . . . . . 5974 1 1667 . 1 1 176 176 GLU HB3 H 1 2.073 0.02 . 2 . . . . . . . . 5974 1 1668 . 1 1 176 176 GLU HB2 H 1 2.013 0.02 . 2 . . . . . . . . 5974 1 1669 . 1 1 176 176 GLU CG C 13 36.890 0.2 . 1 . . . . . . . . 5974 1 1670 . 1 1 176 176 GLU HG2 H 1 2.307 0.02 . 2 . . . . . . . . 5974 1 1671 . 1 1 176 176 GLU C C 13 177.615 0.2 . 1 . . . . . . . . 5974 1 1672 . 1 1 177 177 LYS N N 15 121.853 0.1 . 1 . . . . . . . . 5974 1 1673 . 1 1 177 177 LYS H H 1 8.288 0.02 . 1 . . . . . . . . 5974 1 1674 . 1 1 177 177 LYS CA C 13 57.398 0.2 . 1 . . . . . . . . 5974 1 1675 . 1 1 177 177 LYS HA H 1 4.293 0.02 . 1 . . . . . . . . 5974 1 1676 . 1 1 177 177 LYS CB C 13 33.319 0.2 . 1 . . . . . . . . 5974 1 1677 . 1 1 177 177 LYS HB2 H 1 1.836 0.02 . 2 . . . . . . . . 5974 1 1678 . 1 1 177 177 LYS CG C 13 25.477 0.2 . 1 . . . . . . . . 5974 1 1679 . 1 1 177 177 LYS HG2 H 1 1.470 0.02 . 2 . . . . . . . . 5974 1 1680 . 1 1 177 177 LYS CD C 13 29.673 0.2 . 1 . . . . . . . . 5974 1 1681 . 1 1 177 177 LYS HD3 H 1 1.713 0.02 . 2 . . . . . . . . 5974 1 1682 . 1 1 177 177 LYS HD2 H 1 1.685 0.02 . 2 . . . . . . . . 5974 1 1683 . 1 1 177 177 LYS CE C 13 42.904 0.2 . 1 . . . . . . . . 5974 1 1684 . 1 1 177 177 LYS HE2 H 1 3.005 0.02 . 2 . . . . . . . . 5974 1 1685 . 1 1 177 177 LYS C C 13 178.000 0.2 . 1 . . . . . . . . 5974 1 1686 . 1 1 178 178 GLY N N 15 109.747 0.1 . 1 . . . . . . . . 5974 1 1687 . 1 1 178 178 GLY H H 1 8.303 0.02 . 1 . . . . . . . . 5974 1 1688 . 1 1 178 178 GLY CA C 13 46.007 0.2 . 1 . . . . . . . . 5974 1 1689 . 1 1 178 178 GLY HA2 H 1 3.944 0.02 . 2 . . . . . . . . 5974 1 1690 . 1 1 178 178 GLY C C 13 174.592 0.2 . 1 . . . . . . . . 5974 1 1691 . 1 1 179 179 ALA N N 15 124.253 0.1 . 1 . . . . . . . . 5974 1 1692 . 1 1 179 179 ALA H H 1 8.159 0.02 . 1 . . . . . . . . 5974 1 1693 . 1 1 179 179 ALA CA C 13 53.226 0.2 . 1 . . . . . . . . 5974 1 1694 . 1 1 179 179 ALA HA H 1 4.375 0.02 . 1 . . . . . . . . 5974 1 1695 . 1 1 179 179 ALA CB C 13 20.177 0.2 . 1 . . . . . . . . 5974 1 1696 . 1 1 179 179 ALA HB1 H 1 1.411 0.02 . 1 . . . . . . . . 5974 1 1697 . 1 1 179 179 ALA HB2 H 1 1.411 0.02 . 1 . . . . . . . . 5974 1 1698 . 1 1 179 179 ALA HB3 H 1 1.411 0.02 . 1 . . . . . . . . 5974 1 1699 . 1 1 179 179 ALA C C 13 178.743 0.2 . 1 . . . . . . . . 5974 1 1700 . 1 1 180 180 THR N N 15 113.662 0.1 . 1 . . . . . . . . 5974 1 1701 . 1 1 180 180 THR H H 1 8.173 0.02 . 1 . . . . . . . . 5974 1 1702 . 1 1 180 180 THR CA C 13 62.533 0.2 . 1 . . . . . . . . 5974 1 1703 . 1 1 180 180 THR HA H 1 4.329 0.02 . 1 . . . . . . . . 5974 1 1704 . 1 1 180 180 THR CB C 13 70.418 0.2 . 1 . . . . . . . . 5974 1 1705 . 1 1 180 180 THR HB H 1 4.206 0.02 . 1 . . . . . . . . 5974 1 1706 . 1 1 180 180 THR CG2 C 13 22.199 0.2 . 1 . . . . . . . . 5974 1 1707 . 1 1 180 180 THR HG21 H 1 1.201 0.02 . 1 . . . . . . . . 5974 1 1708 . 1 1 180 180 THR HG22 H 1 1.201 0.02 . 1 . . . . . . . . 5974 1 1709 . 1 1 180 180 THR HG23 H 1 1.201 0.02 . 1 . . . . . . . . 5974 1 1710 . 1 1 180 180 THR C C 13 174.984 0.2 . 1 . . . . . . . . 5974 1 1711 . 1 1 181 181 ASN N N 15 121.612 0.1 . 1 . . . . . . . . 5974 1 1712 . 1 1 181 181 ASN H H 1 8.428 0.02 . 1 . . . . . . . . 5974 1 1713 . 1 1 181 181 ASN CA C 13 53.801 0.2 . 1 . . . . . . . . 5974 1 1714 . 1 1 181 181 ASN HA H 1 4.737 0.02 . 1 . . . . . . . . 5974 1 1715 . 1 1 181 181 ASN CB C 13 39.713 0.2 . 1 . . . . . . . . 5974 1 1716 . 1 1 181 181 ASN HB3 H 1 2.765 0.02 . 2 . . . . . . . . 5974 1 1717 . 1 1 181 181 ASN HB2 H 1 2.840 0.02 . 2 . . . . . . . . 5974 1 1718 . 1 1 181 181 ASN C C 13 175.555 0.2 . 1 . . . . . . . . 5974 1 1719 . 1 1 182 182 ALA N N 15 125.400 0.1 . 1 . . . . . . . . 5974 1 1720 . 1 1 182 182 ALA H H 1 8.304 0.02 . 1 . . . . . . . . 5974 1 1721 . 1 1 182 182 ALA CA C 13 53.453 0.2 . 1 . . . . . . . . 5974 1 1722 . 1 1 182 182 ALA HA H 1 4.279 0.02 . 1 . . . . . . . . 5974 1 1723 . 1 1 182 182 ALA CB C 13 19.988 0.2 . 1 . . . . . . . . 5974 1 1724 . 1 1 182 182 ALA HB1 H 1 1.374 0.02 . 1 . . . . . . . . 5974 1 1725 . 1 1 182 182 ALA HB2 H 1 1.374 0.02 . 1 . . . . . . . . 5974 1 1726 . 1 1 182 182 ALA HB3 H 1 1.374 0.02 . 1 . . . . . . . . 5974 1 1727 . 1 1 182 182 ALA C C 13 178.195 0.2 . 1 . . . . . . . . 5974 1 1728 . 1 1 183 183 ALA N N 15 122.790 0.1 . 1 . . . . . . . . 5974 1 1729 . 1 1 183 183 ALA H H 1 8.236 0.02 . 1 . . . . . . . . 5974 1 1730 . 1 1 183 183 ALA CA C 13 53.048 0.2 . 1 . . . . . . . . 5974 1 1731 . 1 1 183 183 ALA HA H 1 4.325 0.02 . 1 . . . . . . . . 5974 1 1732 . 1 1 183 183 ALA CB C 13 19.446 0.2 . 1 . . . . . . . . 5974 1 1733 . 1 1 183 183 ALA HB1 H 1 1.337 0.02 . 1 . . . . . . . . 5974 1 1734 . 1 1 183 183 ALA HB2 H 1 1.337 0.02 . 1 . . . . . . . . 5974 1 1735 . 1 1 183 183 ALA HB3 H 1 1.337 0.02 . 1 . . . . . . . . 5974 1 1736 . 1 1 183 183 ALA C C 13 178.490 0.2 . 1 . . . . . . . . 5974 1 1737 . 1 1 184 184 ASP N N 15 119.671 0.1 . 1 . . . . . . . . 5974 1 1738 . 1 1 184 184 ASP H H 1 8.173 0.02 . 1 . . . . . . . . 5974 1 1739 . 1 1 184 184 ASP CA C 13 55.178 0.2 . 1 . . . . . . . . 5974 1 1740 . 1 1 184 184 ASP HA H 1 4.577 0.02 . 1 . . . . . . . . 5974 1 1741 . 1 1 184 184 ASP CB C 13 41.773 0.2 . 1 . . . . . . . . 5974 1 1742 . 1 1 184 184 ASP HB2 H 1 2.670 0.02 . 2 . . . . . . . . 5974 1 1743 . 1 1 184 184 ASP C C 13 177.378 0.2 . 1 . . . . . . . . 5974 1 1744 . 1 1 185 185 GLY N N 15 110.064 0.1 . 1 . . . . . . . . 5974 1 1745 . 1 1 185 185 GLY H H 1 8.226 0.02 . 1 . . . . . . . . 5974 1 1746 . 1 1 185 185 GLY CA C 13 46.103 0.2 . 1 . . . . . . . . 5974 1 1747 . 1 1 185 185 GLY HA2 H 1 3.911 0.02 . 2 . . . . . . . . 5974 1 1748 . 1 1 185 185 GLY C C 13 173.634 0.2 . 1 . . . . . . . . 5974 1 1749 . 1 1 186 186 ALA N N 15 129.724 0.1 . 1 . . . . . . . . 5974 1 1750 . 1 1 186 186 ALA H H 1 7.771 0.02 . 1 . . . . . . . . 5974 1 1751 . 1 1 186 186 ALA CA C 13 54.329 0.2 . 1 . . . . . . . . 5974 1 1752 . 1 1 186 186 ALA HA H 1 4.146 0.02 . 1 . . . . . . . . 5974 1 1753 . 1 1 186 186 ALA CB C 13 20.841 0.2 . 1 . . . . . . . . 5974 1 1754 . 1 1 186 186 ALA HB1 H 1 1.355 0.02 . 1 . . . . . . . . 5974 1 1755 . 1 1 186 186 ALA HB2 H 1 1.355 0.02 . 1 . . . . . . . . 5974 1 1756 . 1 1 186 186 ALA HB3 H 1 1.355 0.02 . 1 . . . . . . . . 5974 1 1757 . 1 1 186 186 ALA C C 13 169.430 0.2 . 1 . . . . . . . . 5974 1 stop_ save_