data_16946 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16946 _Entry.Title ; 15N, 13C and 1H Resonance Assignments of the PAS domain of hERG (KV11.1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-24 _Entry.Accession_date 2010-05-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Frederick Muskett . W. . 16946 2 John Mitcheson . S. . 16946 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16946 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 522 16946 '15N chemical shifts' 141 16946 '1H chemical shifts' 873 16946 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 2 . . 2011-03-24 2010-05-24 update BMRB 'update entry citation' 16946 1 . . 2010-08-18 2010-05-24 original author 'original release' 16946 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16946 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20711762 _Citation.Full_citation . _Citation.Title 'Resonance assignment and secondary structure prediction of the N-terminal domain of hERG (Kv11.1).' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 5 _Citation.Journal_issue 1 _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 15 _Citation.Page_last 17 _Citation.Year 2011 _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 Frederick Muskett . W. . 16946 1 2 John Mitcheson . S. . 16946 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hERG 16946 1 Kv11.1 16946 1 'NMR resonance assignments' 16946 1 'PAS domain' 16946 1 'secondary structure' 16946 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16946 _Assembly.ID 1 _Assembly.Name hERG1-135 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17225 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 hERG1-135 1 $hERG1-135 A . yes native no no . . . 16946 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1byw . . X-ray 2.6 'As entry but without R73C mutation' . 16946 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hERG1-135 _Entity.Sf_category entity _Entity.Sf_framecode hERG1-135 _Entity.Entry_ID 16946 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hERG1-135 _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 ; MPVRRGHVAPQNTFLDTIIR KFEGQSRKFIIANARVENCA VIYCNDGFCELCGYSRAEVM QRPCTCDFLHGPRTQRRAAA QIAQALLGAEERKVEIAFYR KDGSCFLCLVDVVPVKNEDG AVIMFILNFEVVMEKENLYF QSLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16928 . hERG_NTD . . . . . 90.00 136 100.00 100.00 2.34e-93 . . . . 16946 1 2 no BMRB 17066 . Potassium_voltage-gated_channel_subfamily_H_member_2 . . . . . 90.00 136 100.00 100.00 1.43e-93 . . . . 16946 1 3 no PDB 1BYW . "Structure Of The N-Terminal Domain Of The Human-Erg Potassium Channel" . . . . . 73.33 110 99.09 99.09 1.05e-71 . . . . 16946 1 4 no PDB 2L0W . "Solution Nmr Structure Of The N-Terminal Pas Domain Of Herg Potassium Channel" . . . . . 90.00 138 100.00 100.00 1.76e-93 . . . . 16946 1 5 no PDB 2L1M . "Solution Structure Of The Eag Domain Of The Herg (Kv11.1) K+ Channel" . . . . . 100.00 150 100.00 100.00 3.42e-106 . . . . 16946 1 6 no PDB 2L4R . "Nmr Solution Structure Of The N-Terminal Pas Domain Of Herg" . . . . . 90.00 135 100.00 100.00 1.94e-93 . . . . 16946 1 7 no PDB 4HP9 . "Crystal Structure Of The N-terminal Truncated Pas Domain From The Herg Potassium Channel" . . . . . 84.67 128 99.21 100.00 1.87e-86 . . . . 16946 1 8 no PDB 4HQA . "Crystal Structure Of Pas Domain From The Human Erg (herg) Potassium Channel" . . . . . 90.00 137 100.00 100.00 1.80e-93 . . . . 16946 1 9 no DBJ BAA37096 . "HERG [Homo sapiens]" . . . . . 90.67 1159 99.26 100.00 4.73e-91 . . . . 16946 1 10 no DBJ BAB19682 . "HERG-USO [Homo sapiens]" . . . . . 90.67 888 99.26 100.00 2.42e-92 . . . . 16946 1 11 no EMBL CAA09232 . "ether-a-go-go-related protein [Homo sapiens]" . . . . . 73.33 1133 99.09 100.00 7.66e-71 . . . . 16946 1 12 no EMBL CAB09536 . "r-ERG [Rattus norvegicus]" . . . . . 90.67 1163 99.26 100.00 4.83e-91 . . . . 16946 1 13 no EMBL CAB64868 . "potassium channel [Canis lupus familiaris]" . . . . . 90.67 1158 99.26 100.00 4.70e-91 . . . . 16946 1 14 no GB AAA62473 . "putative potassium channel subunit [Homo sapiens]" . . . . . 90.67 1159 99.26 100.00 4.73e-91 . . . . 16946 1 15 no GB AAC53418 . "ether-a-go-go-related protein isoform Merg1a [Mus musculus]" . . . . . 90.67 1162 99.26 100.00 4.81e-91 . . . . 16946 1 16 no GB AAC53420 . "Merg1a [Mus musculus]" . . . . . 90.67 1162 99.26 100.00 4.81e-91 . . . . 16946 1 17 no GB AAC53422 . "Merg1a' [Mus musculus]" . . . . . 51.33 1103 98.70 100.00 1.86e-44 . . . . 16946 1 18 no GB AAC99425 . "potassium channel protein ERG long isoform [Oryctolagus cuniculus]" . . . . . 81.33 122 100.00 100.00 1.65e-83 . . . . 16946 1 19 no REF NP_000229 . "potassium voltage-gated channel subfamily H member 2 isoform a [Homo sapiens]" . . . . . 90.67 1159 99.26 100.00 4.73e-91 . . . . 16946 1 20 no REF NP_001003145 . "potassium voltage-gated channel subfamily H member 2 [Canis lupus familiaris]" . . . . . 90.67 1158 99.26 100.00 4.70e-91 . . . . 16946 1 21 no REF NP_001092571 . "potassium voltage-gated channel subfamily H member 2 [Bos taurus]" . . . . . 90.00 849 100.00 100.00 2.74e-92 . . . . 16946 1 22 no REF NP_001166444 . "potassium voltage-gated channel subfamily H member 2 [Cavia porcellus]" . . . . . 90.67 1158 99.26 100.00 2.64e-82 . . . . 16946 1 23 no REF NP_001180587 . "potassium voltage-gated channel subfamily H member 2 [Equus caballus]" . . . . . 90.67 1158 98.53 100.00 6.91e-82 . . . . 16946 1 24 no SP O08962 . "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " . . . . . 90.67 1163 99.26 100.00 4.83e-91 . . . . 16946 1 25 no SP O35219 . "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " . . . . . 90.67 1162 99.26 100.00 4.81e-91 . . . . 16946 1 26 no SP Q12809 . "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Eag homolog; AltName: Full=Ether-a-go-go-rela" . . . . . 90.67 1159 99.26 100.00 4.73e-91 . . . . 16946 1 27 no SP Q8WNY2 . "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " . . . . . 90.67 1161 99.26 100.00 2.66e-82 . . . . 16946 1 28 no SP Q9TSZ3 . "RecName: Full=Potassium voltage-gated channel subfamily H member 2; AltName: Full=Ether-a-go-go-related gene potassium channel " . . . . . 90.67 1158 99.26 100.00 4.70e-91 . . . . 16946 1 29 no TPG DAA30311 . "TPA: voltage-gated potassium channel, subfamily H, member 2 [Bos taurus]" . . . . . 90.00 783 100.00 100.00 1.20e-92 . . . . 16946 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16946 1 2 . PRO . 16946 1 3 . VAL . 16946 1 4 . ARG . 16946 1 5 . ARG . 16946 1 6 . GLY . 16946 1 7 . HIS . 16946 1 8 . VAL . 16946 1 9 . ALA . 16946 1 10 . PRO . 16946 1 11 . GLN . 16946 1 12 . ASN . 16946 1 13 . THR . 16946 1 14 . PHE . 16946 1 15 . LEU . 16946 1 16 . ASP . 16946 1 17 . THR . 16946 1 18 . ILE . 16946 1 19 . ILE . 16946 1 20 . ARG . 16946 1 21 . LYS . 16946 1 22 . PHE . 16946 1 23 . GLU . 16946 1 24 . GLY . 16946 1 25 . GLN . 16946 1 26 . SER . 16946 1 27 . ARG . 16946 1 28 . LYS . 16946 1 29 . PHE . 16946 1 30 . ILE . 16946 1 31 . ILE . 16946 1 32 . ALA . 16946 1 33 . ASN . 16946 1 34 . ALA . 16946 1 35 . ARG . 16946 1 36 . VAL . 16946 1 37 . GLU . 16946 1 38 . ASN . 16946 1 39 . CYS . 16946 1 40 . ALA . 16946 1 41 . VAL . 16946 1 42 . ILE . 16946 1 43 . TYR . 16946 1 44 . CYS . 16946 1 45 . ASN . 16946 1 46 . ASP . 16946 1 47 . GLY . 16946 1 48 . PHE . 16946 1 49 . CYS . 16946 1 50 . GLU . 16946 1 51 . LEU . 16946 1 52 . CYS . 16946 1 53 . GLY . 16946 1 54 . TYR . 16946 1 55 . SER . 16946 1 56 . ARG . 16946 1 57 . ALA . 16946 1 58 . GLU . 16946 1 59 . VAL . 16946 1 60 . MET . 16946 1 61 . GLN . 16946 1 62 . ARG . 16946 1 63 . PRO . 16946 1 64 . CYS . 16946 1 65 . THR . 16946 1 66 . CYS . 16946 1 67 . ASP . 16946 1 68 . PHE . 16946 1 69 . LEU . 16946 1 70 . HIS . 16946 1 71 . GLY . 16946 1 72 . PRO . 16946 1 73 . ARG . 16946 1 74 . THR . 16946 1 75 . GLN . 16946 1 76 . ARG . 16946 1 77 . ARG . 16946 1 78 . ALA . 16946 1 79 . ALA . 16946 1 80 . ALA . 16946 1 81 . GLN . 16946 1 82 . ILE . 16946 1 83 . ALA . 16946 1 84 . GLN . 16946 1 85 . ALA . 16946 1 86 . LEU . 16946 1 87 . LEU . 16946 1 88 . GLY . 16946 1 89 . ALA . 16946 1 90 . GLU . 16946 1 91 . GLU . 16946 1 92 . ARG . 16946 1 93 . LYS . 16946 1 94 . VAL . 16946 1 95 . GLU . 16946 1 96 . ILE . 16946 1 97 . ALA . 16946 1 98 . PHE . 16946 1 99 . TYR . 16946 1 100 . ARG . 16946 1 101 . LYS . 16946 1 102 . ASP . 16946 1 103 . GLY . 16946 1 104 . SER . 16946 1 105 . CYS . 16946 1 106 . PHE . 16946 1 107 . LEU . 16946 1 108 . CYS . 16946 1 109 . LEU . 16946 1 110 . VAL . 16946 1 111 . ASP . 16946 1 112 . VAL . 16946 1 113 . VAL . 16946 1 114 . PRO . 16946 1 115 . VAL . 16946 1 116 . LYS . 16946 1 117 . ASN . 16946 1 118 . GLU . 16946 1 119 . ASP . 16946 1 120 . GLY . 16946 1 121 . ALA . 16946 1 122 . VAL . 16946 1 123 . ILE . 16946 1 124 . MET . 16946 1 125 . PHE . 16946 1 126 . ILE . 16946 1 127 . LEU . 16946 1 128 . ASN . 16946 1 129 . PHE . 16946 1 130 . GLU . 16946 1 131 . VAL . 16946 1 132 . VAL . 16946 1 133 . MET . 16946 1 134 . GLU . 16946 1 135 . LYS . 16946 1 136 . GLU . 16946 1 137 . ASN . 16946 1 138 . LEU . 16946 1 139 . TYR . 16946 1 140 . PHE . 16946 1 141 . GLN . 16946 1 142 . SER . 16946 1 143 . LEU . 16946 1 144 . GLU . 16946 1 145 . HIS . 16946 1 146 . HIS . 16946 1 147 . HIS . 16946 1 148 . HIS . 16946 1 149 . HIS . 16946 1 150 . HIS . 16946 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16946 1 . PRO 2 2 16946 1 . VAL 3 3 16946 1 . ARG 4 4 16946 1 . ARG 5 5 16946 1 . GLY 6 6 16946 1 . HIS 7 7 16946 1 . VAL 8 8 16946 1 . ALA 9 9 16946 1 . PRO 10 10 16946 1 . GLN 11 11 16946 1 . ASN 12 12 16946 1 . THR 13 13 16946 1 . PHE 14 14 16946 1 . LEU 15 15 16946 1 . ASP 16 16 16946 1 . THR 17 17 16946 1 . ILE 18 18 16946 1 . ILE 19 19 16946 1 . ARG 20 20 16946 1 . LYS 21 21 16946 1 . PHE 22 22 16946 1 . GLU 23 23 16946 1 . GLY 24 24 16946 1 . GLN 25 25 16946 1 . SER 26 26 16946 1 . ARG 27 27 16946 1 . LYS 28 28 16946 1 . PHE 29 29 16946 1 . ILE 30 30 16946 1 . ILE 31 31 16946 1 . ALA 32 32 16946 1 . ASN 33 33 16946 1 . ALA 34 34 16946 1 . ARG 35 35 16946 1 . VAL 36 36 16946 1 . GLU 37 37 16946 1 . ASN 38 38 16946 1 . CYS 39 39 16946 1 . ALA 40 40 16946 1 . VAL 41 41 16946 1 . ILE 42 42 16946 1 . TYR 43 43 16946 1 . CYS 44 44 16946 1 . ASN 45 45 16946 1 . ASP 46 46 16946 1 . GLY 47 47 16946 1 . PHE 48 48 16946 1 . CYS 49 49 16946 1 . GLU 50 50 16946 1 . LEU 51 51 16946 1 . CYS 52 52 16946 1 . GLY 53 53 16946 1 . TYR 54 54 16946 1 . SER 55 55 16946 1 . ARG 56 56 16946 1 . ALA 57 57 16946 1 . GLU 58 58 16946 1 . VAL 59 59 16946 1 . MET 60 60 16946 1 . GLN 61 61 16946 1 . ARG 62 62 16946 1 . PRO 63 63 16946 1 . CYS 64 64 16946 1 . THR 65 65 16946 1 . CYS 66 66 16946 1 . ASP 67 67 16946 1 . PHE 68 68 16946 1 . LEU 69 69 16946 1 . HIS 70 70 16946 1 . GLY 71 71 16946 1 . PRO 72 72 16946 1 . ARG 73 73 16946 1 . THR 74 74 16946 1 . GLN 75 75 16946 1 . ARG 76 76 16946 1 . ARG 77 77 16946 1 . ALA 78 78 16946 1 . ALA 79 79 16946 1 . ALA 80 80 16946 1 . GLN 81 81 16946 1 . ILE 82 82 16946 1 . ALA 83 83 16946 1 . GLN 84 84 16946 1 . ALA 85 85 16946 1 . LEU 86 86 16946 1 . LEU 87 87 16946 1 . GLY 88 88 16946 1 . ALA 89 89 16946 1 . GLU 90 90 16946 1 . GLU 91 91 16946 1 . ARG 92 92 16946 1 . LYS 93 93 16946 1 . VAL 94 94 16946 1 . GLU 95 95 16946 1 . ILE 96 96 16946 1 . ALA 97 97 16946 1 . PHE 98 98 16946 1 . TYR 99 99 16946 1 . ARG 100 100 16946 1 . LYS 101 101 16946 1 . ASP 102 102 16946 1 . GLY 103 103 16946 1 . SER 104 104 16946 1 . CYS 105 105 16946 1 . PHE 106 106 16946 1 . LEU 107 107 16946 1 . CYS 108 108 16946 1 . LEU 109 109 16946 1 . VAL 110 110 16946 1 . ASP 111 111 16946 1 . VAL 112 112 16946 1 . VAL 113 113 16946 1 . PRO 114 114 16946 1 . VAL 115 115 16946 1 . LYS 116 116 16946 1 . ASN 117 117 16946 1 . GLU 118 118 16946 1 . ASP 119 119 16946 1 . GLY 120 120 16946 1 . ALA 121 121 16946 1 . VAL 122 122 16946 1 . ILE 123 123 16946 1 . MET 124 124 16946 1 . PHE 125 125 16946 1 . ILE 126 126 16946 1 . LEU 127 127 16946 1 . ASN 128 128 16946 1 . PHE 129 129 16946 1 . GLU 130 130 16946 1 . VAL 131 131 16946 1 . VAL 132 132 16946 1 . MET 133 133 16946 1 . GLU 134 134 16946 1 . LYS 135 135 16946 1 . GLU 136 136 16946 1 . ASN 137 137 16946 1 . LEU 138 138 16946 1 . TYR 139 139 16946 1 . PHE 140 140 16946 1 . GLN 141 141 16946 1 . SER 142 142 16946 1 . LEU 143 143 16946 1 . GLU 144 144 16946 1 . HIS 145 145 16946 1 . HIS 146 146 16946 1 . HIS 147 147 16946 1 . HIS 148 148 16946 1 . HIS 149 149 16946 1 . HIS 150 150 16946 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 16946 _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 $hERG1-135 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . KCNH2 . . . . 16946 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 16946 _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 $hERG1-135 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET-21a . . . . . . 16946 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16946 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 hERG1-135 '[U-100% 13C; U-100% 15N]' . . 1 $hERG1-135 . . 0.2 . . mM . . . . 16946 1 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 16946 1 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 16946 1 4 EDTA 'natural abundance' . . . . . . 500 . . uM . . . . 16946 1 5 AEBSF 'natural abundance' . . . . . . 200 . . uM . . . . 16946 1 6 DTT 'natural abundance' . . . . . . 200 . . uM . . . . 16946 1 7 Sodium_Azide 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 16946 1 8 'acetate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16946 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16946 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 hERG1-135 '[U-100% 15N]' . . 1 $hERG1-135 . . 0.2 . . mM . . . . 16946 2 2 H20 'natural abundance' . . . . . . 90 . . % . . . . 16946 2 3 D20 'natural abundance' . . . . . . 10 . . % . . . . 16946 2 4 EDTA 'natural abundance' . . . . . . 500 . . uM . . . . 16946 2 5 AEBSF 'natural abundance' . . . . . . 200 . . uM . . . . 16946 2 6 DTT 'natural abundance' . . . . . . 200 . . uM . . . . 16946 2 7 Sodium_Azide 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 16946 2 8 'acetate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 16946 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16946 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20mM Acetate buffer ph 5.0 500uM EDTA 200uM AEBSF 200uM DTT 0.02% w/v Sodium Azide ; 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 'ionic strength' 0.02 . M 16946 1 pH 5.0 . pH 16946 1 pressure 1 . atm 16946 1 temperature 298 . K 16946 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16946 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16946 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16946 1 processing 16946 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16946 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16946 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16946 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 16946 _Software.ID 3 _Software.Name TALOS _Software.Version 1.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 16946 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16946 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16946 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16946 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16946 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 16946 1 2 spectrometer_2 Bruker Avance . 800 . . . 16946 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 16946 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16946 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 8 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16946 1 9 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16946 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16946 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16946 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16946 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16946 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16946 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.023 _Assigned_chem_shift_list.Chem_shift_13C_err 0.21 _Assigned_chem_shift_list.Chem_shift_15N_err 0.21 _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 '2D 1H-15N HSQC' . . . 16946 1 2 '3D CBCA(CO)NH' . . . 16946 1 3 '3D HNCO' . . . 16946 1 4 '3D HNCA' . . . 16946 1 5 '3D HNCACB' . . . 16946 1 6 '3D HBHA(CO)NH' . . . 16946 1 7 '3D HN(CO)CA' . . . 16946 1 8 '3D CCH-TOCSY' . . . 16946 1 9 '3D HNHA' . . . 16946 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $SPARKY . . 16946 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 2 2 PRO HA H 1 4.348 0.023 . 1 . . . . 2 PRO HA . 16946 1 2 . 1 1 2 2 PRO HB2 H 1 2.361 0.023 . 2 . . . . 2 PRO HB2 . 16946 1 3 . 1 1 2 2 PRO HB3 H 1 1.918 0.023 . 2 . . . . 2 PRO HB3 . 16946 1 4 . 1 1 2 2 PRO HD2 H 1 3.314 0.023 . 2 . . . . 2 PRO HD2 . 16946 1 5 . 1 1 2 2 PRO HD3 H 1 3.314 0.023 . 2 . . . . 2 PRO HD3 . 16946 1 6 . 1 1 2 2 PRO HG2 H 1 1.974 0.023 . 2 . . . . 2 PRO HG2 . 16946 1 7 . 1 1 2 2 PRO HG3 H 1 1.908 0.023 . 2 . . . . 2 PRO HG3 . 16946 1 8 . 1 1 2 2 PRO C C 13 174.289 0.210 . 1 . . . . 2 PRO C . 16946 1 9 . 1 1 2 2 PRO CA C 13 62.142 0.210 . 1 . . . . 2 PRO CA . 16946 1 10 . 1 1 2 2 PRO CB C 13 32.672 0.210 . 1 . . . . 2 PRO CB . 16946 1 11 . 1 1 2 2 PRO CD C 13 49.364 0.210 . 1 . . . . 2 PRO CD . 16946 1 12 . 1 1 2 2 PRO CG C 13 26.410 0.210 . 1 . . . . 2 PRO CG . 16946 1 13 . 1 1 3 3 VAL H H 1 8.531 0.023 . 1 . . . . 3 VAL H . 16946 1 14 . 1 1 3 3 VAL HA H 1 4.024 0.023 . 1 . . . . 3 VAL HA . 16946 1 15 . 1 1 3 3 VAL HB H 1 1.940 0.023 . 1 . . . . 3 VAL HB . 16946 1 16 . 1 1 3 3 VAL HG11 H 1 0.852 0.023 . 2 . . . . 3 VAL HG1 . 16946 1 17 . 1 1 3 3 VAL HG12 H 1 0.852 0.023 . 2 . . . . 3 VAL HG1 . 16946 1 18 . 1 1 3 3 VAL HG13 H 1 0.852 0.023 . 2 . . . . 3 VAL HG1 . 16946 1 19 . 1 1 3 3 VAL C C 13 176.292 0.210 . 1 . . . . 3 VAL C . 16946 1 20 . 1 1 3 3 VAL CA C 13 62.519 0.210 . 1 . . . . 3 VAL CA . 16946 1 21 . 1 1 3 3 VAL CB C 13 32.731 0.210 . 1 . . . . 3 VAL CB . 16946 1 22 . 1 1 3 3 VAL CG1 C 13 20.686 0.210 . 1 . . . . 3 VAL CG1 . 16946 1 23 . 1 1 3 3 VAL N N 15 120.092 0.210 . 1 . . . . 3 VAL N . 16946 1 24 . 1 1 4 4 ARG H H 1 8.488 0.023 . 1 . . . . 4 ARG H . 16946 1 25 . 1 1 4 4 ARG HA H 1 4.266 0.023 . 1 . . . . 4 ARG HA . 16946 1 26 . 1 1 4 4 ARG HB2 H 1 1.732 0.023 . 2 . . . . 4 ARG HB2 . 16946 1 27 . 1 1 4 4 ARG HB3 H 1 1.659 0.023 . 2 . . . . 4 ARG HB3 . 16946 1 28 . 1 1 4 4 ARG HD2 H 1 3.093 0.023 . 2 . . . . 4 ARG HD2 . 16946 1 29 . 1 1 4 4 ARG HD3 H 1 3.093 0.023 . 2 . . . . 4 ARG HD3 . 16946 1 30 . 1 1 4 4 ARG HG2 H 1 1.554 0.023 . 2 . . . . 4 ARG HG2 . 16946 1 31 . 1 1 4 4 ARG HG3 H 1 1.554 0.023 . 2 . . . . 4 ARG HG3 . 16946 1 32 . 1 1 4 4 ARG C C 13 176.181 0.210 . 1 . . . . 4 ARG C . 16946 1 33 . 1 1 4 4 ARG CA C 13 55.927 0.210 . 1 . . . . 4 ARG CA . 16946 1 34 . 1 1 4 4 ARG CB C 13 30.844 0.210 . 1 . . . . 4 ARG CB . 16946 1 35 . 1 1 4 4 ARG CD C 13 43.248 0.210 . 1 . . . . 4 ARG CD . 16946 1 36 . 1 1 4 4 ARG CG C 13 27.100 0.210 . 1 . . . . 4 ARG CG . 16946 1 37 . 1 1 4 4 ARG N N 15 125.996 0.210 . 1 . . . . 4 ARG N . 16946 1 38 . 1 1 5 5 ARG H H 1 8.444 0.023 . 1 . . . . 5 ARG H . 16946 1 39 . 1 1 5 5 ARG HA H 1 4.262 0.023 . 1 . . . . 5 ARG HA . 16946 1 40 . 1 1 5 5 ARG HB2 H 1 1.753 0.023 . 2 . . . . 5 ARG HB2 . 16946 1 41 . 1 1 5 5 ARG HB3 H 1 1.670 0.023 . 2 . . . . 5 ARG HB3 . 16946 1 42 . 1 1 5 5 ARG C C 13 175.447 0.210 . 1 . . . . 5 ARG C . 16946 1 43 . 1 1 5 5 ARG CA C 13 56.027 0.210 . 1 . . . . 5 ARG CA . 16946 1 44 . 1 1 5 5 ARG CB C 13 30.947 0.210 . 1 . . . . 5 ARG CB . 16946 1 45 . 1 1 5 5 ARG N N 15 123.748 0.210 . 1 . . . . 5 ARG N . 16946 1 46 . 1 1 6 6 GLY H H 1 8.411 0.023 . 1 . . . . 6 GLY H . 16946 1 47 . 1 1 6 6 GLY HA2 H 1 3.841 0.023 . 2 . . . . 6 GLY HA2 . 16946 1 48 . 1 1 6 6 GLY HA3 H 1 3.841 0.023 . 2 . . . . 6 GLY HA3 . 16946 1 49 . 1 1 6 6 GLY C C 13 178.561 0.210 . 1 . . . . 6 GLY C . 16946 1 50 . 1 1 6 6 GLY CA C 13 44.954 0.210 . 1 . . . . 6 GLY CA . 16946 1 51 . 1 1 6 6 GLY N N 15 110.260 0.210 . 1 . . . . 6 GLY N . 16946 1 52 . 1 1 7 7 HIS H H 1 8.353 0.023 . 1 . . . . 7 HIS H . 16946 1 53 . 1 1 7 7 HIS HA H 1 4.613 0.023 . 1 . . . . 7 HIS HA . 16946 1 54 . 1 1 7 7 HIS HB2 H 1 3.116 0.023 . 2 . . . . 7 HIS HB2 . 16946 1 55 . 1 1 7 7 HIS HB3 H 1 3.039 0.023 . 2 . . . . 7 HIS HB3 . 16946 1 56 . 1 1 7 7 HIS HD2 H 1 7.144 0.023 . 1 . . . . 7 HIS HD2 . 16946 1 57 . 1 1 7 7 HIS C C 13 177.614 0.210 . 1 . . . . 7 HIS C . 16946 1 58 . 1 1 7 7 HIS CA C 13 55.427 0.210 . 1 . . . . 7 HIS CA . 16946 1 59 . 1 1 7 7 HIS CB C 13 29.605 0.210 . 1 . . . . 7 HIS CB . 16946 1 60 . 1 1 7 7 HIS CD2 C 13 120.869 0.210 . 1 . . . . 7 HIS CD2 . 16946 1 61 . 1 1 7 7 HIS N N 15 118.784 0.210 . 1 . . . . 7 HIS N . 16946 1 62 . 1 1 8 8 VAL H H 1 8.126 0.023 . 1 . . . . 8 VAL H . 16946 1 63 . 1 1 8 8 VAL HA H 1 4.022 0.023 . 1 . . . . 8 VAL HA . 16946 1 64 . 1 1 8 8 VAL HB H 1 1.925 0.023 . 1 . . . . 8 VAL HB . 16946 1 65 . 1 1 8 8 VAL HG11 H 1 0.814 0.023 . 2 . . . . 8 VAL HG1 . 16946 1 66 . 1 1 8 8 VAL HG12 H 1 0.814 0.023 . 2 . . . . 8 VAL HG1 . 16946 1 67 . 1 1 8 8 VAL HG13 H 1 0.814 0.023 . 2 . . . . 8 VAL HG1 . 16946 1 68 . 1 1 8 8 VAL HG21 H 1 0.814 0.023 . 2 . . . . 8 VAL HG2 . 16946 1 69 . 1 1 8 8 VAL HG22 H 1 0.814 0.023 . 2 . . . . 8 VAL HG2 . 16946 1 70 . 1 1 8 8 VAL HG23 H 1 0.814 0.023 . 2 . . . . 8 VAL HG2 . 16946 1 71 . 1 1 8 8 VAL C C 13 176.836 0.210 . 1 . . . . 8 VAL C . 16946 1 72 . 1 1 8 8 VAL CA C 13 61.839 0.210 . 1 . . . . 8 VAL CA . 16946 1 73 . 1 1 8 8 VAL CB C 13 33.005 0.210 . 1 . . . . 8 VAL CB . 16946 1 74 . 1 1 8 8 VAL CG1 C 13 20.700 0.210 . 1 . . . . 8 VAL CG1 . 16946 1 75 . 1 1 8 8 VAL CG2 C 13 20.700 0.210 . 1 . . . . 8 VAL CG2 . 16946 1 76 . 1 1 8 8 VAL N N 15 122.370 0.210 . 1 . . . . 8 VAL N . 16946 1 77 . 1 1 9 9 ALA H H 1 8.414 0.023 . 1 . . . . 9 ALA H . 16946 1 78 . 1 1 9 9 ALA HA H 1 4.506 0.023 . 1 . . . . 9 ALA HA . 16946 1 79 . 1 1 9 9 ALA HB1 H 1 1.291 0.023 . 1 . . . . 9 ALA HB . 16946 1 80 . 1 1 9 9 ALA HB2 H 1 1.291 0.023 . 1 . . . . 9 ALA HB . 16946 1 81 . 1 1 9 9 ALA HB3 H 1 1.291 0.023 . 1 . . . . 9 ALA HB . 16946 1 82 . 1 1 9 9 ALA CA C 13 50.363 0.210 . 1 . . . . 9 ALA CA . 16946 1 83 . 1 1 9 9 ALA CB C 13 18.185 0.210 . 1 . . . . 9 ALA CB . 16946 1 84 . 1 1 9 9 ALA N N 15 129.560 0.210 . 1 . . . . 9 ALA N . 16946 1 85 . 1 1 10 10 PRO HA H 1 4.338 0.023 . 1 . . . . 10 PRO HA . 16946 1 86 . 1 1 10 10 PRO HB2 H 1 2.219 0.023 . 2 . . . . 10 PRO HB2 . 16946 1 87 . 1 1 10 10 PRO HB3 H 1 1.853 0.023 . 2 . . . . 10 PRO HB3 . 16946 1 88 . 1 1 10 10 PRO HD2 H 1 3.754 0.023 . 2 . . . . 10 PRO HD2 . 16946 1 89 . 1 1 10 10 PRO HD3 H 1 3.598 0.023 . 2 . . . . 10 PRO HD3 . 16946 1 90 . 1 1 10 10 PRO HG2 H 1 1.961 0.023 . 2 . . . . 10 PRO HG2 . 16946 1 91 . 1 1 10 10 PRO HG3 H 1 1.961 0.023 . 2 . . . . 10 PRO HG3 . 16946 1 92 . 1 1 10 10 PRO C C 13 175.050 0.210 . 1 . . . . 10 PRO C . 16946 1 93 . 1 1 10 10 PRO CA C 13 63.050 0.210 . 1 . . . . 10 PRO CA . 16946 1 94 . 1 1 10 10 PRO CB C 13 32.050 0.210 . 1 . . . . 10 PRO CB . 16946 1 95 . 1 1 10 10 PRO CD C 13 50.505 0.210 . 1 . . . . 10 PRO CD . 16946 1 96 . 1 1 10 10 PRO CG C 13 27.500 0.210 . 1 . . . . 10 PRO CG . 16946 1 97 . 1 1 11 11 GLN H H 1 8.513 0.023 . 1 . . . . 11 GLN H . 16946 1 98 . 1 1 11 11 GLN HA H 1 4.194 0.023 . 1 . . . . 11 GLN HA . 16946 1 99 . 1 1 11 11 GLN HB2 H 1 2.018 0.023 . 2 . . . . 11 GLN HB2 . 16946 1 100 . 1 1 11 11 GLN HB3 H 1 1.918 0.023 . 2 . . . . 11 GLN HB3 . 16946 1 101 . 1 1 11 11 GLN HE21 H 1 7.375 0.023 . 2 . . . . 11 GLN HE21 . 16946 1 102 . 1 1 11 11 GLN HE22 H 1 6.685 0.023 . 2 . . . . 11 GLN HE22 . 16946 1 103 . 1 1 11 11 GLN HG2 H 1 2.302 0.023 . 2 . . . . 11 GLN HG2 . 16946 1 104 . 1 1 11 11 GLN HG3 H 1 2.302 0.023 . 2 . . . . 11 GLN HG3 . 16946 1 105 . 1 1 11 11 GLN C C 13 179.575 0.210 . 1 . . . . 11 GLN C . 16946 1 106 . 1 1 11 11 GLN CA C 13 56.244 0.210 . 1 . . . . 11 GLN CA . 16946 1 107 . 1 1 11 11 GLN CB C 13 29.426 0.210 . 1 . . . . 11 GLN CB . 16946 1 108 . 1 1 11 11 GLN CG C 13 33.820 0.210 . 1 . . . . 11 GLN CG . 16946 1 109 . 1 1 11 11 GLN N N 15 120.573 0.210 . 1 . . . . 11 GLN N . 16946 1 110 . 1 1 11 11 GLN NE2 N 15 111.277 0.210 . 1 . . . . 11 GLN NE2 . 16946 1 111 . 1 1 12 12 ASN H H 1 8.544 0.023 . 1 . . . . 12 ASN H . 16946 1 112 . 1 1 12 12 ASN HA H 1 4.681 0.023 . 1 . . . . 12 ASN HA . 16946 1 113 . 1 1 12 12 ASN HB2 H 1 2.820 0.023 . 2 . . . . 12 ASN HB2 . 16946 1 114 . 1 1 12 12 ASN HB3 H 1 2.698 0.023 . 2 . . . . 12 ASN HB3 . 16946 1 115 . 1 1 12 12 ASN HD21 H 1 7.637 0.023 . 2 . . . . 12 ASN HD21 . 16946 1 116 . 1 1 12 12 ASN HD22 H 1 6.812 0.023 . 2 . . . . 12 ASN HD22 . 16946 1 117 . 1 1 12 12 ASN C C 13 176.379 0.210 . 1 . . . . 12 ASN C . 16946 1 118 . 1 1 12 12 ASN CA C 13 53.632 0.210 . 1 . . . . 12 ASN CA . 16946 1 119 . 1 1 12 12 ASN CB C 13 38.630 0.210 . 1 . . . . 12 ASN CB . 16946 1 120 . 1 1 12 12 ASN N N 15 120.070 0.210 . 1 . . . . 12 ASN N . 16946 1 121 . 1 1 12 12 ASN ND2 N 15 112.691 0.210 . 1 . . . . 12 ASN ND2 . 16946 1 122 . 1 1 13 13 THR H H 1 8.220 0.023 . 1 . . . . 13 THR H . 16946 1 123 . 1 1 13 13 THR HA H 1 4.172 0.023 . 1 . . . . 13 THR HA . 16946 1 124 . 1 1 13 13 THR HB H 1 4.252 0.023 . 1 . . . . 13 THR HB . 16946 1 125 . 1 1 13 13 THR HG21 H 1 1.160 0.023 . 1 . . . . 13 THR HG2 . 16946 1 126 . 1 1 13 13 THR HG22 H 1 1.160 0.023 . 1 . . . . 13 THR HG2 . 16946 1 127 . 1 1 13 13 THR HG23 H 1 1.160 0.023 . 1 . . . . 13 THR HG2 . 16946 1 128 . 1 1 13 13 THR C C 13 176.294 0.210 . 1 . . . . 13 THR C . 16946 1 129 . 1 1 13 13 THR CA C 13 63.308 0.210 . 1 . . . . 13 THR CA . 16946 1 130 . 1 1 13 13 THR CB C 13 69.521 0.210 . 1 . . . . 13 THR CB . 16946 1 131 . 1 1 13 13 THR CG2 C 13 21.847 0.210 . 1 . . . . 13 THR CG2 . 16946 1 132 . 1 1 13 13 THR N N 15 114.394 0.210 . 1 . . . . 13 THR N . 16946 1 133 . 1 1 14 14 PHE H H 1 8.293 0.023 . 1 . . . . 14 PHE H . 16946 1 134 . 1 1 14 14 PHE HA H 1 4.261 0.023 . 1 . . . . 14 PHE HA . 16946 1 135 . 1 1 14 14 PHE HB2 H 1 3.146 0.023 . 2 . . . . 14 PHE HB2 . 16946 1 136 . 1 1 14 14 PHE HB3 H 1 2.947 0.023 . 2 . . . . 14 PHE HB3 . 16946 1 137 . 1 1 14 14 PHE HD1 H 1 7.126 0.023 . 1 . . . . 14 PHE HD1 . 16946 1 138 . 1 1 14 14 PHE HD2 H 1 7.126 0.023 . 1 . . . . 14 PHE HD2 . 16946 1 139 . 1 1 14 14 PHE HE1 H 1 7.126 0.023 . 1 . . . . 14 PHE HE1 . 16946 1 140 . 1 1 14 14 PHE HE2 H 1 7.126 0.023 . 1 . . . . 14 PHE HE2 . 16946 1 141 . 1 1 14 14 PHE HZ H 1 7.126 0.023 . 1 . . . . 14 PHE HZ . 16946 1 142 . 1 1 14 14 PHE C C 13 174.399 0.210 . 1 . . . . 14 PHE C . 16946 1 143 . 1 1 14 14 PHE CA C 13 60.710 0.210 . 1 . . . . 14 PHE CA . 16946 1 144 . 1 1 14 14 PHE CB C 13 38.992 0.210 . 1 . . . . 14 PHE CB . 16946 1 145 . 1 1 14 14 PHE CD1 C 13 132.300 0.210 . 1 . . . . 14 PHE CD1 . 16946 1 146 . 1 1 14 14 PHE CD2 C 13 132.300 0.210 . 1 . . . . 14 PHE CD2 . 16946 1 147 . 1 1 14 14 PHE N N 15 123.222 0.210 . 1 . . . . 14 PHE N . 16946 1 148 . 1 1 15 15 LEU H H 1 8.094 0.023 . 1 . . . . 15 LEU H . 16946 1 149 . 1 1 15 15 LEU HA H 1 3.703 0.023 . 1 . . . . 15 LEU HA . 16946 1 150 . 1 1 15 15 LEU HB2 H 1 1.668 0.023 . 1 . . . . 15 LEU HB2 . 16946 1 151 . 1 1 15 15 LEU HB3 H 1 1.391 0.023 . 1 . . . . 15 LEU HB3 . 16946 1 152 . 1 1 15 15 LEU HD11 H 1 0.795 0.023 . 2 . . . . 15 LEU HD1 . 16946 1 153 . 1 1 15 15 LEU HD12 H 1 0.795 0.023 . 2 . . . . 15 LEU HD1 . 16946 1 154 . 1 1 15 15 LEU HD13 H 1 0.795 0.023 . 2 . . . . 15 LEU HD1 . 16946 1 155 . 1 1 15 15 LEU HD21 H 1 0.768 0.023 . 2 . . . . 15 LEU HD2 . 16946 1 156 . 1 1 15 15 LEU HD22 H 1 0.768 0.023 . 2 . . . . 15 LEU HD2 . 16946 1 157 . 1 1 15 15 LEU HD23 H 1 0.768 0.023 . 2 . . . . 15 LEU HD2 . 16946 1 158 . 1 1 15 15 LEU HG H 1 1.426 0.023 . 1 . . . . 15 LEU HG . 16946 1 159 . 1 1 15 15 LEU C C 13 174.495 0.210 . 1 . . . . 15 LEU C . 16946 1 160 . 1 1 15 15 LEU CA C 13 58.064 0.210 . 1 . . . . 15 LEU CA . 16946 1 161 . 1 1 15 15 LEU CB C 13 41.579 0.210 . 1 . . . . 15 LEU CB . 16946 1 162 . 1 1 15 15 LEU CD1 C 13 25.500 0.210 . 1 . . . . 15 LEU CD1 . 16946 1 163 . 1 1 15 15 LEU CD2 C 13 24.313 0.210 . 1 . . . . 15 LEU CD2 . 16946 1 164 . 1 1 15 15 LEU CG C 13 26.857 0.210 . 1 . . . . 15 LEU CG . 16946 1 165 . 1 1 15 15 LEU N N 15 120.094 0.210 . 1 . . . . 15 LEU N . 16946 1 166 . 1 1 16 16 ASP H H 1 7.808 0.023 . 1 . . . . 16 ASP H . 16946 1 167 . 1 1 16 16 ASP HA H 1 4.127 0.023 . 1 . . . . 16 ASP HA . 16946 1 168 . 1 1 16 16 ASP HB2 H 1 2.649 0.023 . 2 . . . . 16 ASP HB2 . 16946 1 169 . 1 1 16 16 ASP HB3 H 1 2.505 0.023 . 2 . . . . 16 ASP HB3 . 16946 1 170 . 1 1 16 16 ASP C C 13 173.570 0.210 . 1 . . . . 16 ASP C . 16946 1 171 . 1 1 16 16 ASP CA C 13 57.794 0.210 . 1 . . . . 16 ASP CA . 16946 1 172 . 1 1 16 16 ASP CB C 13 40.809 0.210 . 1 . . . . 16 ASP CB . 16946 1 173 . 1 1 16 16 ASP N N 15 116.882 0.210 . 1 . . . . 16 ASP N . 16946 1 174 . 1 1 17 17 THR H H 1 7.696 0.023 . 1 . . . . 17 THR H . 16946 1 175 . 1 1 17 17 THR HA H 1 3.741 0.023 . 1 . . . . 17 THR HA . 16946 1 176 . 1 1 17 17 THR HB H 1 4.142 0.023 . 1 . . . . 17 THR HB . 16946 1 177 . 1 1 17 17 THR HG21 H 1 1.103 0.023 . 1 . . . . 17 THR HG2 . 16946 1 178 . 1 1 17 17 THR HG22 H 1 1.103 0.023 . 1 . . . . 17 THR HG2 . 16946 1 179 . 1 1 17 17 THR HG23 H 1 1.103 0.023 . 1 . . . . 17 THR HG2 . 16946 1 180 . 1 1 17 17 THR C C 13 175.829 0.210 . 1 . . . . 17 THR C . 16946 1 181 . 1 1 17 17 THR CA C 13 66.149 0.210 . 1 . . . . 17 THR CA . 16946 1 182 . 1 1 17 17 THR CB C 13 68.644 0.210 . 1 . . . . 17 THR CB . 16946 1 183 . 1 1 17 17 THR CG2 C 13 21.601 0.210 . 1 . . . . 17 THR CG2 . 16946 1 184 . 1 1 17 17 THR N N 15 114.106 0.210 . 1 . . . . 17 THR N . 16946 1 185 . 1 1 18 18 ILE H H 1 7.434 0.023 . 1 . . . . 18 ILE H . 16946 1 186 . 1 1 18 18 ILE HA H 1 3.572 0.023 . 1 . . . . 18 ILE HA . 16946 1 187 . 1 1 18 18 ILE HB H 1 1.830 0.023 . 1 . . . . 18 ILE HB . 16946 1 188 . 1 1 18 18 ILE HD11 H 1 0.509 0.023 . 1 . . . . 18 ILE HD1 . 16946 1 189 . 1 1 18 18 ILE HD12 H 1 0.509 0.023 . 1 . . . . 18 ILE HD1 . 16946 1 190 . 1 1 18 18 ILE HD13 H 1 0.509 0.023 . 1 . . . . 18 ILE HD1 . 16946 1 191 . 1 1 18 18 ILE HG12 H 1 1.133 0.023 . 1 . . . . 18 ILE HG12 . 16946 1 192 . 1 1 18 18 ILE HG13 H 1 0.976 0.023 . 1 . . . . 18 ILE HG13 . 16946 1 193 . 1 1 18 18 ILE HG21 H 1 0.670 0.023 . 1 . . . . 18 ILE HG2 . 16946 1 194 . 1 1 18 18 ILE HG22 H 1 0.670 0.023 . 1 . . . . 18 ILE HG2 . 16946 1 195 . 1 1 18 18 ILE HG23 H 1 0.670 0.023 . 1 . . . . 18 ILE HG2 . 16946 1 196 . 1 1 18 18 ILE C C 13 174.446 0.210 . 1 . . . . 18 ILE C . 16946 1 197 . 1 1 18 18 ILE CA C 13 63.359 0.210 . 1 . . . . 18 ILE CA . 16946 1 198 . 1 1 18 18 ILE CB C 13 36.776 0.210 . 1 . . . . 18 ILE CB . 16946 1 199 . 1 1 18 18 ILE CD1 C 13 11.713 0.210 . 1 . . . . 18 ILE CD1 . 16946 1 200 . 1 1 18 18 ILE CG1 C 13 27.514 0.210 . 1 . . . . 18 ILE CG1 . 16946 1 201 . 1 1 18 18 ILE CG2 C 13 18.306 0.210 . 1 . . . . 18 ILE CG2 . 16946 1 202 . 1 1 18 18 ILE N N 15 122.909 0.210 . 1 . . . . 18 ILE N . 16946 1 203 . 1 1 19 19 ILE H H 1 8.170 0.023 . 1 . . . . 19 ILE H . 16946 1 204 . 1 1 19 19 ILE HA H 1 3.313 0.023 . 1 . . . . 19 ILE HA . 16946 1 205 . 1 1 19 19 ILE HB H 1 1.574 0.023 . 1 . . . . 19 ILE HB . 16946 1 206 . 1 1 19 19 ILE HD11 H 1 0.142 0.023 . 1 . . . . 19 ILE HD1 . 16946 1 207 . 1 1 19 19 ILE HD12 H 1 0.142 0.023 . 1 . . . . 19 ILE HD1 . 16946 1 208 . 1 1 19 19 ILE HD13 H 1 0.142 0.023 . 1 . . . . 19 ILE HD1 . 16946 1 209 . 1 1 19 19 ILE HG12 H 1 1.316 0.023 . 2 . . . . 19 ILE HG12 . 16946 1 210 . 1 1 19 19 ILE HG13 H 1 0.002 0.023 . 2 . . . . 19 ILE HG13 . 16946 1 211 . 1 1 19 19 ILE HG21 H 1 0.712 0.023 . 1 . . . . 19 ILE HG2 . 16946 1 212 . 1 1 19 19 ILE HG22 H 1 0.712 0.023 . 1 . . . . 19 ILE HG2 . 16946 1 213 . 1 1 19 19 ILE HG23 H 1 0.712 0.023 . 1 . . . . 19 ILE HG2 . 16946 1 214 . 1 1 19 19 ILE C C 13 173.967 0.210 . 1 . . . . 19 ILE C . 16946 1 215 . 1 1 19 19 ILE CA C 13 66.648 0.210 . 1 . . . . 19 ILE CA . 16946 1 216 . 1 1 19 19 ILE CB C 13 38.457 0.210 . 1 . . . . 19 ILE CB . 16946 1 217 . 1 1 19 19 ILE CD1 C 13 14.393 0.210 . 1 . . . . 19 ILE CD1 . 16946 1 218 . 1 1 19 19 ILE CG1 C 13 30.402 0.210 . 1 . . . . 19 ILE CG1 . 16946 1 219 . 1 1 19 19 ILE CG2 C 13 17.794 0.210 . 1 . . . . 19 ILE CG2 . 16946 1 220 . 1 1 19 19 ILE N N 15 120.281 0.210 . 1 . . . . 19 ILE N . 16946 1 221 . 1 1 20 20 ARG H H 1 7.685 0.023 . 1 . . . . 20 ARG H . 16946 1 222 . 1 1 20 20 ARG HA H 1 3.944 0.023 . 1 . . . . 20 ARG HA . 16946 1 223 . 1 1 20 20 ARG HB2 H 1 1.756 0.023 . 2 . . . . 20 ARG HB2 . 16946 1 224 . 1 1 20 20 ARG HB3 H 1 1.756 0.023 . 2 . . . . 20 ARG HB3 . 16946 1 225 . 1 1 20 20 ARG HD2 H 1 3.072 0.023 . 2 . . . . 20 ARG HD2 . 16946 1 226 . 1 1 20 20 ARG HD3 H 1 3.072 0.023 . 2 . . . . 20 ARG HD3 . 16946 1 227 . 1 1 20 20 ARG HE H 1 7.288 0.023 . 1 . . . . 20 ARG HE . 16946 1 228 . 1 1 20 20 ARG HG2 H 1 1.692 0.023 . 2 . . . . 20 ARG HG2 . 16946 1 229 . 1 1 20 20 ARG HG3 H 1 1.586 0.023 . 2 . . . . 20 ARG HG3 . 16946 1 230 . 1 1 20 20 ARG C C 13 173.038 0.210 . 1 . . . . 20 ARG C . 16946 1 231 . 1 1 20 20 ARG CA C 13 58.952 0.210 . 1 . . . . 20 ARG CA . 16946 1 232 . 1 1 20 20 ARG CB C 13 30.062 0.210 . 1 . . . . 20 ARG CB . 16946 1 233 . 1 1 20 20 ARG CD C 13 43.363 0.210 . 1 . . . . 20 ARG CD . 16946 1 234 . 1 1 20 20 ARG CG C 13 27.837 0.210 . 1 . . . . 20 ARG CG . 16946 1 235 . 1 1 20 20 ARG N N 15 115.715 0.210 . 1 . . . . 20 ARG N . 16946 1 236 . 1 1 20 20 ARG NE N 15 84.988 0.210 . 1 . . . . 20 ARG NE . 16946 1 237 . 1 1 21 21 LYS H H 1 7.541 0.023 . 1 . . . . 21 LYS H . 16946 1 238 . 1 1 21 21 LYS HA H 1 3.874 0.023 . 1 . . . . 21 LYS HA . 16946 1 239 . 1 1 21 21 LYS HB2 H 1 1.688 0.023 . 1 . . . . 21 LYS HB2 . 16946 1 240 . 1 1 21 21 LYS HB3 H 1 1.623 0.023 . 1 . . . . 21 LYS HB3 . 16946 1 241 . 1 1 21 21 LYS HD2 H 1 1.395 0.023 . 2 . . . . 21 LYS HD2 . 16946 1 242 . 1 1 21 21 LYS HD3 H 1 1.341 0.023 . 2 . . . . 21 LYS HD3 . 16946 1 243 . 1 1 21 21 LYS HE2 H 1 2.643 0.023 . 2 . . . . 21 LYS HE2 . 16946 1 244 . 1 1 21 21 LYS HE3 H 1 2.643 0.023 . 2 . . . . 21 LYS HE3 . 16946 1 245 . 1 1 21 21 LYS HG2 H 1 1.158 0.023 . 2 . . . . 21 LYS HG2 . 16946 1 246 . 1 1 21 21 LYS HG3 H 1 1.158 0.023 . 2 . . . . 21 LYS HG3 . 16946 1 247 . 1 1 21 21 LYS C C 13 174.109 0.210 . 1 . . . . 21 LYS C . 16946 1 248 . 1 1 21 21 LYS CA C 13 58.619 0.210 . 1 . . . . 21 LYS CA . 16946 1 249 . 1 1 21 21 LYS CB C 13 32.443 0.210 . 1 . . . . 21 LYS CB . 16946 1 250 . 1 1 21 21 LYS CD C 13 29.151 0.210 . 1 . . . . 21 LYS CD . 16946 1 251 . 1 1 21 21 LYS CE C 13 41.688 0.210 . 1 . . . . 21 LYS CE . 16946 1 252 . 1 1 21 21 LYS CG C 13 24.725 0.210 . 1 . . . . 21 LYS CG . 16946 1 253 . 1 1 21 21 LYS N N 15 118.523 0.210 . 1 . . . . 21 LYS N . 16946 1 254 . 1 1 22 22 PHE H H 1 7.637 0.023 . 1 . . . . 22 PHE H . 16946 1 255 . 1 1 22 22 PHE HA H 1 4.059 0.023 . 1 . . . . 22 PHE HA . 16946 1 256 . 1 1 22 22 PHE HB2 H 1 2.130 0.023 . 2 . . . . 22 PHE HB2 . 16946 1 257 . 1 1 22 22 PHE HB3 H 1 2.130 0.023 . 2 . . . . 22 PHE HB3 . 16946 1 258 . 1 1 22 22 PHE HD1 H 1 6.796 0.023 . 1 . . . . 22 PHE HD1 . 16946 1 259 . 1 1 22 22 PHE HD2 H 1 6.796 0.023 . 1 . . . . 22 PHE HD2 . 16946 1 260 . 1 1 22 22 PHE HE1 H 1 6.796 0.023 . 1 . . . . 22 PHE HE1 . 16946 1 261 . 1 1 22 22 PHE HE2 H 1 6.796 0.023 . 1 . . . . 22 PHE HE2 . 16946 1 262 . 1 1 22 22 PHE HZ H 1 6.796 0.023 . 1 . . . . 22 PHE HZ . 16946 1 263 . 1 1 22 22 PHE C C 13 175.430 0.210 . 1 . . . . 22 PHE C . 16946 1 264 . 1 1 22 22 PHE CA C 13 59.796 0.210 . 1 . . . . 22 PHE CA . 16946 1 265 . 1 1 22 22 PHE CB C 13 38.947 0.210 . 1 . . . . 22 PHE CB . 16946 1 266 . 1 1 22 22 PHE CD1 C 13 131.818 0.210 . 1 . . . . 22 PHE CD1 . 16946 1 267 . 1 1 22 22 PHE CD2 C 13 131.818 0.210 . 1 . . . . 22 PHE CD2 . 16946 1 268 . 1 1 22 22 PHE N N 15 116.870 0.210 . 1 . . . . 22 PHE N . 16946 1 269 . 1 1 23 23 GLU H H 1 8.173 0.023 . 1 . . . . 23 GLU H . 16946 1 270 . 1 1 23 23 GLU HA H 1 4.517 0.023 . 1 . . . . 23 GLU HA . 16946 1 271 . 1 1 23 23 GLU HB2 H 1 2.243 0.023 . 1 . . . . 23 GLU HB2 . 16946 1 272 . 1 1 23 23 GLU HB3 H 1 2.119 0.023 . 1 . . . . 23 GLU HB3 . 16946 1 273 . 1 1 23 23 GLU HG2 H 1 2.574 0.023 . 2 . . . . 23 GLU HG2 . 16946 1 274 . 1 1 23 23 GLU HG3 H 1 2.383 0.023 . 2 . . . . 23 GLU HG3 . 16946 1 275 . 1 1 23 23 GLU C C 13 173.871 0.210 . 1 . . . . 23 GLU C . 16946 1 276 . 1 1 23 23 GLU CA C 13 58.033 0.210 . 1 . . . . 23 GLU CA . 16946 1 277 . 1 1 23 23 GLU CB C 13 29.954 0.210 . 1 . . . . 23 GLU CB . 16946 1 278 . 1 1 23 23 GLU CG C 13 35.892 0.210 . 1 . . . . 23 GLU CG . 16946 1 279 . 1 1 23 23 GLU N N 15 120.565 0.210 . 1 . . . . 23 GLU N . 16946 1 280 . 1 1 24 24 GLY H H 1 8.380 0.023 . 1 . . . . 24 GLY H . 16946 1 281 . 1 1 24 24 GLY HA2 H 1 4.081 0.023 . 2 . . . . 24 GLY HA2 . 16946 1 282 . 1 1 24 24 GLY HA3 H 1 3.964 0.023 . 2 . . . . 24 GLY HA3 . 16946 1 283 . 1 1 24 24 GLY C C 13 177.708 0.210 . 1 . . . . 24 GLY C . 16946 1 284 . 1 1 24 24 GLY CA C 13 45.532 0.210 . 1 . . . . 24 GLY CA . 16946 1 285 . 1 1 24 24 GLY N N 15 109.343 0.210 . 1 . . . . 24 GLY N . 16946 1 286 . 1 1 25 25 GLN H H 1 8.008 0.023 . 1 . . . . 25 GLN H . 16946 1 287 . 1 1 25 25 GLN HA H 1 4.280 0.023 . 1 . . . . 25 GLN HA . 16946 1 288 . 1 1 25 25 GLN HB2 H 1 2.194 0.023 . 2 . . . . 25 GLN HB2 . 16946 1 289 . 1 1 25 25 GLN HB3 H 1 1.894 0.023 . 2 . . . . 25 GLN HB3 . 16946 1 290 . 1 1 25 25 GLN HE21 H 1 6.779 0.023 . 2 . . . . 25 GLN HE21 . 16946 1 291 . 1 1 25 25 GLN HE22 H 1 7.521 0.023 . 2 . . . . 25 GLN HE22 . 16946 1 292 . 1 1 25 25 GLN HG2 H 1 2.316 0.023 . 2 . . . . 25 GLN HG2 . 16946 1 293 . 1 1 25 25 GLN HG3 H 1 2.279 0.023 . 2 . . . . 25 GLN HG3 . 16946 1 294 . 1 1 25 25 GLN C C 13 176.099 0.210 . 1 . . . . 25 GLN C . 16946 1 295 . 1 1 25 25 GLN CA C 13 56.264 0.210 . 1 . . . . 25 GLN CA . 16946 1 296 . 1 1 25 25 GLN CB C 13 29.171 0.210 . 1 . . . . 25 GLN CB . 16946 1 297 . 1 1 25 25 GLN CG C 13 33.798 0.210 . 1 . . . . 25 GLN CG . 16946 1 298 . 1 1 25 25 GLN N N 15 117.963 0.210 . 1 . . . . 25 GLN N . 16946 1 299 . 1 1 25 25 GLN NE2 N 15 112.483 0.210 . 1 . . . . 25 GLN NE2 . 16946 1 300 . 1 1 26 26 SER H H 1 8.637 0.023 . 1 . . . . 26 SER H . 16946 1 301 . 1 1 26 26 SER HA H 1 4.335 0.023 . 1 . . . . 26 SER HA . 16946 1 302 . 1 1 26 26 SER HB2 H 1 4.012 0.023 . 2 . . . . 26 SER HB2 . 16946 1 303 . 1 1 26 26 SER HB3 H 1 4.012 0.023 . 2 . . . . 26 SER HB3 . 16946 1 304 . 1 1 26 26 SER C C 13 177.433 0.210 . 1 . . . . 26 SER C . 16946 1 305 . 1 1 26 26 SER CA C 13 58.754 0.210 . 1 . . . . 26 SER CA . 16946 1 306 . 1 1 26 26 SER CB C 13 62.174 0.210 . 1 . . . . 26 SER CB . 16946 1 307 . 1 1 26 26 SER N N 15 113.630 0.210 . 1 . . . . 26 SER N . 16946 1 308 . 1 1 27 27 ARG H H 1 7.838 0.023 . 1 . . . . 27 ARG H . 16946 1 309 . 1 1 27 27 ARG HA H 1 4.524 0.023 . 1 . . . . 27 ARG HA . 16946 1 310 . 1 1 27 27 ARG HB2 H 1 2.073 0.023 . 2 . . . . 27 ARG HB2 . 16946 1 311 . 1 1 27 27 ARG HB3 H 1 2.005 0.023 . 2 . . . . 27 ARG HB3 . 16946 1 312 . 1 1 27 27 ARG HD2 H 1 2.993 0.023 . 2 . . . . 27 ARG HD2 . 16946 1 313 . 1 1 27 27 ARG HD3 H 1 2.938 0.023 . 2 . . . . 27 ARG HD3 . 16946 1 314 . 1 1 27 27 ARG HE H 1 7.013 0.023 . 1 . . . . 27 ARG HE . 16946 1 315 . 1 1 27 27 ARG HG2 H 1 1.694 0.023 . 2 . . . . 27 ARG HG2 . 16946 1 316 . 1 1 27 27 ARG HG3 H 1 1.598 0.023 . 2 . . . . 27 ARG HG3 . 16946 1 317 . 1 1 27 27 ARG C C 13 174.792 0.210 . 1 . . . . 27 ARG C . 16946 1 318 . 1 1 27 27 ARG CA C 13 55.863 0.210 . 1 . . . . 27 ARG CA . 16946 1 319 . 1 1 27 27 ARG CB C 13 31.790 0.210 . 1 . . . . 27 ARG CB . 16946 1 320 . 1 1 27 27 ARG CD C 13 42.851 0.210 . 1 . . . . 27 ARG CD . 16946 1 321 . 1 1 27 27 ARG CG C 13 27.896 0.210 . 1 . . . . 27 ARG CG . 16946 1 322 . 1 1 27 27 ARG N N 15 119.094 0.210 . 1 . . . . 27 ARG N . 16946 1 323 . 1 1 27 27 ARG NE N 15 84.651 0.210 . 1 . . . . 27 ARG NE . 16946 1 324 . 1 1 28 28 LYS H H 1 9.391 0.023 . 1 . . . . 28 LYS H . 16946 1 325 . 1 1 28 28 LYS HA H 1 5.097 0.023 . 1 . . . . 28 LYS HA . 16946 1 326 . 1 1 28 28 LYS HB2 H 1 1.668 0.023 . 2 . . . . 28 LYS HB2 . 16946 1 327 . 1 1 28 28 LYS HB3 H 1 1.470 0.023 . 2 . . . . 28 LYS HB3 . 16946 1 328 . 1 1 28 28 LYS HD2 H 1 1.860 0.023 . 2 . . . . 28 LYS HD2 . 16946 1 329 . 1 1 28 28 LYS HD3 H 1 1.762 0.023 . 2 . . . . 28 LYS HD3 . 16946 1 330 . 1 1 28 28 LYS HE2 H 1 2.935 0.023 . 2 . . . . 28 LYS HE2 . 16946 1 331 . 1 1 28 28 LYS HE3 H 1 2.935 0.023 . 2 . . . . 28 LYS HE3 . 16946 1 332 . 1 1 28 28 LYS HG2 H 1 1.393 0.023 . 2 . . . . 28 LYS HG2 . 16946 1 333 . 1 1 28 28 LYS HG3 H 1 1.393 0.023 . 2 . . . . 28 LYS HG3 . 16946 1 334 . 1 1 28 28 LYS C C 13 178.397 0.210 . 1 . . . . 28 LYS C . 16946 1 335 . 1 1 28 28 LYS CA C 13 56.297 0.210 . 1 . . . . 28 LYS CA . 16946 1 336 . 1 1 28 28 LYS CB C 13 32.821 0.210 . 1 . . . . 28 LYS CB . 16946 1 337 . 1 1 28 28 LYS CD C 13 30.587 0.210 . 1 . . . . 28 LYS CD . 16946 1 338 . 1 1 28 28 LYS CE C 13 42.416 0.210 . 1 . . . . 28 LYS CE . 16946 1 339 . 1 1 28 28 LYS CG C 13 25.223 0.210 . 1 . . . . 28 LYS CG . 16946 1 340 . 1 1 28 28 LYS N N 15 124.500 0.210 . 1 . . . . 28 LYS N . 16946 1 341 . 1 1 29 29 PHE H H 1 8.395 0.023 . 1 . . . . 29 PHE H . 16946 1 342 . 1 1 29 29 PHE HA H 1 6.208 0.023 . 1 . . . . 29 PHE HA . 16946 1 343 . 1 1 29 29 PHE HB2 H 1 3.300 0.023 . 2 . . . . 29 PHE HB2 . 16946 1 344 . 1 1 29 29 PHE HB3 H 1 2.955 0.023 . 2 . . . . 29 PHE HB3 . 16946 1 345 . 1 1 29 29 PHE HD1 H 1 6.845 0.023 . 1 . . . . 29 PHE HD1 . 16946 1 346 . 1 1 29 29 PHE HD2 H 1 6.845 0.023 . 1 . . . . 29 PHE HD2 . 16946 1 347 . 1 1 29 29 PHE HE1 H 1 6.845 0.023 . 1 . . . . 29 PHE HE1 . 16946 1 348 . 1 1 29 29 PHE HE2 H 1 6.845 0.023 . 1 . . . . 29 PHE HE2 . 16946 1 349 . 1 1 29 29 PHE HZ H 1 6.845 0.023 . 1 . . . . 29 PHE HZ . 16946 1 350 . 1 1 29 29 PHE C C 13 180.308 0.210 . 1 . . . . 29 PHE C . 16946 1 351 . 1 1 29 29 PHE CA C 13 56.466 0.210 . 1 . . . . 29 PHE CA . 16946 1 352 . 1 1 29 29 PHE CB C 13 42.610 0.210 . 1 . . . . 29 PHE CB . 16946 1 353 . 1 1 29 29 PHE N N 15 119.939 0.210 . 1 . . . . 29 PHE N . 16946 1 354 . 1 1 30 30 ILE H H 1 8.545 0.023 . 1 . . . . 30 ILE H . 16946 1 355 . 1 1 30 30 ILE HA H 1 4.835 0.023 . 1 . . . . 30 ILE HA . 16946 1 356 . 1 1 30 30 ILE HB H 1 1.831 0.023 . 1 . . . . 30 ILE HB . 16946 1 357 . 1 1 30 30 ILE HD11 H 1 0.593 0.023 . 1 . . . . 30 ILE HD1 . 16946 1 358 . 1 1 30 30 ILE HD12 H 1 0.593 0.023 . 1 . . . . 30 ILE HD1 . 16946 1 359 . 1 1 30 30 ILE HD13 H 1 0.593 0.023 . 1 . . . . 30 ILE HD1 . 16946 1 360 . 1 1 30 30 ILE HG21 H 1 -0.073 0.023 . 1 . . . . 30 ILE HG2 . 16946 1 361 . 1 1 30 30 ILE HG22 H 1 -0.073 0.023 . 1 . . . . 30 ILE HG2 . 16946 1 362 . 1 1 30 30 ILE HG23 H 1 -0.073 0.023 . 1 . . . . 30 ILE HG2 . 16946 1 363 . 1 1 30 30 ILE C C 13 177.832 0.210 . 1 . . . . 30 ILE C . 16946 1 364 . 1 1 30 30 ILE CA C 13 58.488 0.210 . 1 . . . . 30 ILE CA . 16946 1 365 . 1 1 30 30 ILE CB C 13 41.192 0.210 . 1 . . . . 30 ILE CB . 16946 1 366 . 1 1 30 30 ILE CD1 C 13 13.743 0.210 . 1 . . . . 30 ILE CD1 . 16946 1 367 . 1 1 30 30 ILE CG1 C 13 26.642 0.210 . 1 . . . . 30 ILE CG1 . 16946 1 368 . 1 1 30 30 ILE CG2 C 13 16.992 0.210 . 1 . . . . 30 ILE CG2 . 16946 1 369 . 1 1 30 30 ILE N N 15 111.214 0.210 . 1 . . . . 30 ILE N . 16946 1 370 . 1 1 31 31 ILE H H 1 8.893 0.023 . 1 . . . . 31 ILE H . 16946 1 371 . 1 1 31 31 ILE HA H 1 5.126 0.023 . 1 . . . . 31 ILE HA . 16946 1 372 . 1 1 31 31 ILE HB H 1 1.635 0.023 . 1 . . . . 31 ILE HB . 16946 1 373 . 1 1 31 31 ILE HD11 H 1 0.742 0.023 . 1 . . . . 31 ILE HD1 . 16946 1 374 . 1 1 31 31 ILE HD12 H 1 0.742 0.023 . 1 . . . . 31 ILE HD1 . 16946 1 375 . 1 1 31 31 ILE HD13 H 1 0.742 0.023 . 1 . . . . 31 ILE HD1 . 16946 1 376 . 1 1 31 31 ILE HG12 H 1 1.797 0.023 . 2 . . . . 31 ILE HG12 . 16946 1 377 . 1 1 31 31 ILE HG13 H 1 1.129 0.023 . 2 . . . . 31 ILE HG13 . 16946 1 378 . 1 1 31 31 ILE HG21 H 1 0.853 0.023 . 1 . . . . 31 ILE HG2 . 16946 1 379 . 1 1 31 31 ILE HG22 H 1 0.853 0.023 . 1 . . . . 31 ILE HG2 . 16946 1 380 . 1 1 31 31 ILE HG23 H 1 0.853 0.023 . 1 . . . . 31 ILE HG2 . 16946 1 381 . 1 1 31 31 ILE C C 13 177.842 0.210 . 1 . . . . 31 ILE C . 16946 1 382 . 1 1 31 31 ILE CA C 13 60.139 0.210 . 1 . . . . 31 ILE CA . 16946 1 383 . 1 1 31 31 ILE CB C 13 40.435 0.210 . 1 . . . . 31 ILE CB . 16946 1 384 . 1 1 31 31 ILE CD1 C 13 14.955 0.210 . 1 . . . . 31 ILE CD1 . 16946 1 385 . 1 1 31 31 ILE CG1 C 13 27.990 0.210 . 1 . . . . 31 ILE CG1 . 16946 1 386 . 1 1 31 31 ILE CG2 C 13 18.377 0.210 . 1 . . . . 31 ILE CG2 . 16946 1 387 . 1 1 31 31 ILE N N 15 119.488 0.210 . 1 . . . . 31 ILE N . 16946 1 388 . 1 1 32 32 ALA H H 1 9.673 0.023 . 1 . . . . 32 ALA H . 16946 1 389 . 1 1 32 32 ALA HA H 1 5.272 0.023 . 1 . . . . 32 ALA HA . 16946 1 390 . 1 1 32 32 ALA HB1 H 1 1.264 0.023 . 1 . . . . 32 ALA HB . 16946 1 391 . 1 1 32 32 ALA HB2 H 1 1.264 0.023 . 1 . . . . 32 ALA HB . 16946 1 392 . 1 1 32 32 ALA HB3 H 1 1.264 0.023 . 1 . . . . 32 ALA HB . 16946 1 393 . 1 1 32 32 ALA C C 13 175.465 0.210 . 1 . . . . 32 ALA C . 16946 1 394 . 1 1 32 32 ALA CA C 13 49.785 0.210 . 1 . . . . 32 ALA CA . 16946 1 395 . 1 1 32 32 ALA CB C 13 25.249 0.210 . 1 . . . . 32 ALA CB . 16946 1 396 . 1 1 32 32 ALA N N 15 130.604 0.210 . 1 . . . . 32 ALA N . 16946 1 397 . 1 1 33 33 ASN H H 1 8.583 0.023 . 1 . . . . 33 ASN H . 16946 1 398 . 1 1 33 33 ASN HA H 1 4.668 0.023 . 1 . . . . 33 ASN HA . 16946 1 399 . 1 1 33 33 ASN HB2 H 1 3.040 0.023 . 2 . . . . 33 ASN HB2 . 16946 1 400 . 1 1 33 33 ASN HB3 H 1 2.789 0.023 . 2 . . . . 33 ASN HB3 . 16946 1 401 . 1 1 33 33 ASN HD21 H 1 7.163 0.023 . 2 . . . . 33 ASN HD21 . 16946 1 402 . 1 1 33 33 ASN HD22 H 1 7.680 0.023 . 2 . . . . 33 ASN HD22 . 16946 1 403 . 1 1 33 33 ASN C C 13 178.064 0.210 . 1 . . . . 33 ASN C . 16946 1 404 . 1 1 33 33 ASN CA C 13 52.818 0.210 . 1 . . . . 33 ASN CA . 16946 1 405 . 1 1 33 33 ASN CB C 13 38.912 0.210 . 1 . . . . 33 ASN CB . 16946 1 406 . 1 1 33 33 ASN N N 15 118.718 0.210 . 1 . . . . 33 ASN N . 16946 1 407 . 1 1 33 33 ASN ND2 N 15 112.035 0.210 . 1 . . . . 33 ASN ND2 . 16946 1 408 . 1 1 34 34 ALA H H 1 7.549 0.023 . 1 . . . . 34 ALA H . 16946 1 409 . 1 1 34 34 ALA HA H 1 4.679 0.023 . 1 . . . . 34 ALA HA . 16946 1 410 . 1 1 34 34 ALA HB1 H 1 1.034 0.023 . 1 . . . . 34 ALA HB . 16946 1 411 . 1 1 34 34 ALA HB2 H 1 1.034 0.023 . 1 . . . . 34 ALA HB . 16946 1 412 . 1 1 34 34 ALA HB3 H 1 1.034 0.023 . 1 . . . . 34 ALA HB . 16946 1 413 . 1 1 34 34 ALA C C 13 174.461 0.210 . 1 . . . . 34 ALA C . 16946 1 414 . 1 1 34 34 ALA CA C 13 52.480 0.210 . 1 . . . . 34 ALA CA . 16946 1 415 . 1 1 34 34 ALA CB C 13 20.374 0.210 . 1 . . . . 34 ALA CB . 16946 1 416 . 1 1 34 34 ALA N N 15 123.147 0.210 . 1 . . . . 34 ALA N . 16946 1 417 . 1 1 35 35 ARG H H 1 8.201 0.023 . 1 . . . . 35 ARG H . 16946 1 418 . 1 1 35 35 ARG HA H 1 4.321 0.023 . 1 . . . . 35 ARG HA . 16946 1 419 . 1 1 35 35 ARG HB2 H 1 2.043 0.023 . 2 . . . . 35 ARG HB2 . 16946 1 420 . 1 1 35 35 ARG HB3 H 1 1.882 0.023 . 2 . . . . 35 ARG HB3 . 16946 1 421 . 1 1 35 35 ARG HD2 H 1 3.183 0.023 . 2 . . . . 35 ARG HD2 . 16946 1 422 . 1 1 35 35 ARG HD3 H 1 3.183 0.023 . 2 . . . . 35 ARG HD3 . 16946 1 423 . 1 1 35 35 ARG HE H 1 7.249 0.023 . 1 . . . . 35 ARG HE . 16946 1 424 . 1 1 35 35 ARG HG2 H 1 1.734 0.023 . 2 . . . . 35 ARG HG2 . 16946 1 425 . 1 1 35 35 ARG HG3 H 1 1.618 0.023 . 2 . . . . 35 ARG HG3 . 16946 1 426 . 1 1 35 35 ARG CA C 13 56.219 0.210 . 1 . . . . 35 ARG CA . 16946 1 427 . 1 1 35 35 ARG CB C 13 29.800 0.210 . 1 . . . . 35 ARG CB . 16946 1 428 . 1 1 35 35 ARG CD C 13 43.320 0.210 . 1 . . . . 35 ARG CD . 16946 1 429 . 1 1 35 35 ARG CG C 13 27.702 0.210 . 1 . . . . 35 ARG CG . 16946 1 430 . 1 1 35 35 ARG N N 15 116.138 0.210 . 1 . . . . 35 ARG N . 16946 1 431 . 1 1 35 35 ARG NE N 15 84.548 0.210 . 1 . . . . 35 ARG NE . 16946 1 432 . 1 1 36 36 VAL H H 1 7.296 0.023 . 1 . . . . 36 VAL H . 16946 1 433 . 1 1 36 36 VAL HA H 1 3.109 0.023 . 1 . . . . 36 VAL HA . 16946 1 434 . 1 1 36 36 VAL HB H 1 2.137 0.023 . 1 . . . . 36 VAL HB . 16946 1 435 . 1 1 36 36 VAL HG11 H 1 0.903 0.023 . 2 . . . . 36 VAL HG1 . 16946 1 436 . 1 1 36 36 VAL HG12 H 1 0.903 0.023 . 2 . . . . 36 VAL HG1 . 16946 1 437 . 1 1 36 36 VAL HG13 H 1 0.903 0.023 . 2 . . . . 36 VAL HG1 . 16946 1 438 . 1 1 36 36 VAL HG21 H 1 0.954 0.023 . 2 . . . . 36 VAL HG2 . 16946 1 439 . 1 1 36 36 VAL HG22 H 1 0.954 0.023 . 2 . . . . 36 VAL HG2 . 16946 1 440 . 1 1 36 36 VAL HG23 H 1 0.954 0.023 . 2 . . . . 36 VAL HG2 . 16946 1 441 . 1 1 36 36 VAL C C 13 175.237 0.210 . 1 . . . . 36 VAL C . 16946 1 442 . 1 1 36 36 VAL CA C 13 60.725 0.210 . 1 . . . . 36 VAL CA . 16946 1 443 . 1 1 36 36 VAL CB C 13 33.859 0.210 . 1 . . . . 36 VAL CB . 16946 1 444 . 1 1 36 36 VAL CG1 C 13 21.376 0.210 . 1 . . . . 36 VAL CG1 . 16946 1 445 . 1 1 36 36 VAL CG2 C 13 19.955 0.210 . 1 . . . . 36 VAL CG2 . 16946 1 446 . 1 1 36 36 VAL N N 15 114.153 0.210 . 1 . . . . 36 VAL N . 16946 1 447 . 1 1 37 37 GLU H H 1 8.684 0.023 . 1 . . . . 37 GLU H . 16946 1 448 . 1 1 37 37 GLU HA H 1 3.979 0.023 . 1 . . . . 37 GLU HA . 16946 1 449 . 1 1 37 37 GLU HB2 H 1 1.968 0.023 . 2 . . . . 37 GLU HB2 . 16946 1 450 . 1 1 37 37 GLU HB3 H 1 1.963 0.023 . 2 . . . . 37 GLU HB3 . 16946 1 451 . 1 1 37 37 GLU HG2 H 1 2.216 0.023 . 2 . . . . 37 GLU HG2 . 16946 1 452 . 1 1 37 37 GLU HG3 H 1 2.097 0.023 . 2 . . . . 37 GLU HG3 . 16946 1 453 . 1 1 37 37 GLU C C 13 175.541 0.210 . 1 . . . . 37 GLU C . 16946 1 454 . 1 1 37 37 GLU CA C 13 58.475 0.210 . 1 . . . . 37 GLU CA . 16946 1 455 . 1 1 37 37 GLU CB C 13 29.155 0.210 . 1 . . . . 37 GLU CB . 16946 1 456 . 1 1 37 37 GLU CG C 13 35.812 0.210 . 1 . . . . 37 GLU CG . 16946 1 457 . 1 1 37 37 GLU N N 15 122.867 0.210 . 1 . . . . 37 GLU N . 16946 1 458 . 1 1 38 38 ASN H H 1 8.163 0.023 . 1 . . . . 38 ASN H . 16946 1 459 . 1 1 38 38 ASN HA H 1 4.504 0.023 . 1 . . . . 38 ASN HA . 16946 1 460 . 1 1 38 38 ASN HB2 H 1 2.957 0.023 . 2 . . . . 38 ASN HB2 . 16946 1 461 . 1 1 38 38 ASN HB3 H 1 2.751 0.023 . 2 . . . . 38 ASN HB3 . 16946 1 462 . 1 1 38 38 ASN HD21 H 1 7.479 0.023 . 2 . . . . 38 ASN HD21 . 16946 1 463 . 1 1 38 38 ASN HD22 H 1 6.827 0.023 . 2 . . . . 38 ASN HD22 . 16946 1 464 . 1 1 38 38 ASN CA C 13 53.228 0.210 . 1 . . . . 38 ASN CA . 16946 1 465 . 1 1 38 38 ASN CB C 13 37.737 0.210 . 1 . . . . 38 ASN CB . 16946 1 466 . 1 1 38 38 ASN N N 15 114.811 0.210 . 1 . . . . 38 ASN N . 16946 1 467 . 1 1 38 38 ASN ND2 N 15 111.195 0.210 . 1 . . . . 38 ASN ND2 . 16946 1 468 . 1 1 39 39 CYS H H 1 8.271 0.023 . 1 . . . . 39 CYS H . 16946 1 469 . 1 1 39 39 CYS HA H 1 4.508 0.023 . 1 . . . . 39 CYS HA . 16946 1 470 . 1 1 39 39 CYS HB2 H 1 3.005 0.023 . 2 . . . . 39 CYS HB2 . 16946 1 471 . 1 1 39 39 CYS HB3 H 1 2.907 0.023 . 2 . . . . 39 CYS HB3 . 16946 1 472 . 1 1 39 39 CYS CA C 13 59.237 0.210 . 1 . . . . 39 CYS CA . 16946 1 473 . 1 1 39 39 CYS CB C 13 26.756 0.210 . 1 . . . . 39 CYS CB . 16946 1 474 . 1 1 39 39 CYS N N 15 117.341 0.210 . 1 . . . . 39 CYS N . 16946 1 475 . 1 1 40 40 ALA HA H 1 3.989 0.023 . 1 . . . . 40 ALA HA . 16946 1 476 . 1 1 40 40 ALA HB1 H 1 1.126 0.023 . 1 . . . . 40 ALA HB . 16946 1 477 . 1 1 40 40 ALA HB2 H 1 1.126 0.023 . 1 . . . . 40 ALA HB . 16946 1 478 . 1 1 40 40 ALA HB3 H 1 1.126 0.023 . 1 . . . . 40 ALA HB . 16946 1 479 . 1 1 40 40 ALA CA C 13 52.041 0.210 . 1 . . . . 40 ALA CA . 16946 1 480 . 1 1 40 40 ALA CB C 13 20.559 0.210 . 1 . . . . 40 ALA CB . 16946 1 481 . 1 1 41 41 VAL H H 1 8.553 0.023 . 1 . . . . 41 VAL H . 16946 1 482 . 1 1 41 41 VAL HA H 1 3.858 0.023 . 1 . . . . 41 VAL HA . 16946 1 483 . 1 1 41 41 VAL HB H 1 2.166 0.023 . 1 . . . . 41 VAL HB . 16946 1 484 . 1 1 41 41 VAL HG11 H 1 0.911 0.023 . 1 . . . . 41 VAL HG1 . 16946 1 485 . 1 1 41 41 VAL HG12 H 1 0.911 0.023 . 1 . . . . 41 VAL HG1 . 16946 1 486 . 1 1 41 41 VAL HG13 H 1 0.911 0.023 . 1 . . . . 41 VAL HG1 . 16946 1 487 . 1 1 41 41 VAL HG21 H 1 0.911 0.023 . 1 . . . . 41 VAL HG2 . 16946 1 488 . 1 1 41 41 VAL HG22 H 1 0.911 0.023 . 1 . . . . 41 VAL HG2 . 16946 1 489 . 1 1 41 41 VAL HG23 H 1 0.911 0.023 . 1 . . . . 41 VAL HG2 . 16946 1 490 . 1 1 41 41 VAL C C 13 174.786 0.210 . 1 . . . . 41 VAL C . 16946 1 491 . 1 1 41 41 VAL CA C 13 65.083 0.210 . 1 . . . . 41 VAL CA . 16946 1 492 . 1 1 41 41 VAL CB C 13 32.323 0.210 . 1 . . . . 41 VAL CB . 16946 1 493 . 1 1 41 41 VAL CG1 C 13 23.194 0.210 . 1 . . . . 41 VAL CG1 . 16946 1 494 . 1 1 41 41 VAL CG2 C 13 23.194 0.210 . 1 . . . . 41 VAL CG2 . 16946 1 495 . 1 1 41 41 VAL N N 15 119.779 0.210 . 1 . . . . 41 VAL N . 16946 1 496 . 1 1 42 42 ILE H H 1 9.185 0.023 . 1 . . . . 42 ILE H . 16946 1 497 . 1 1 42 42 ILE HA H 1 4.575 0.023 . 1 . . . . 42 ILE HA . 16946 1 498 . 1 1 42 42 ILE HB H 1 2.101 0.023 . 1 . . . . 42 ILE HB . 16946 1 499 . 1 1 42 42 ILE HD11 H 1 0.853 0.023 . 1 . . . . 42 ILE HD1 . 16946 1 500 . 1 1 42 42 ILE HD12 H 1 0.853 0.023 . 1 . . . . 42 ILE HD1 . 16946 1 501 . 1 1 42 42 ILE HD13 H 1 0.853 0.023 . 1 . . . . 42 ILE HD1 . 16946 1 502 . 1 1 42 42 ILE HG12 H 1 1.140 0.023 . 2 . . . . 42 ILE HG12 . 16946 1 503 . 1 1 42 42 ILE HG13 H 1 0.871 0.023 . 2 . . . . 42 ILE HG13 . 16946 1 504 . 1 1 42 42 ILE HG21 H 1 0.971 0.023 . 1 . . . . 42 ILE HG2 . 16946 1 505 . 1 1 42 42 ILE HG22 H 1 0.971 0.023 . 1 . . . . 42 ILE HG2 . 16946 1 506 . 1 1 42 42 ILE HG23 H 1 0.971 0.023 . 1 . . . . 42 ILE HG2 . 16946 1 507 . 1 1 42 42 ILE C C 13 176.673 0.210 . 1 . . . . 42 ILE C . 16946 1 508 . 1 1 42 42 ILE CA C 13 61.160 0.210 . 1 . . . . 42 ILE CA . 16946 1 509 . 1 1 42 42 ILE CB C 13 39.718 0.210 . 1 . . . . 42 ILE CB . 16946 1 510 . 1 1 42 42 ILE CD1 C 13 14.418 0.210 . 1 . . . . 42 ILE CD1 . 16946 1 511 . 1 1 42 42 ILE CG1 C 13 26.379 0.210 . 1 . . . . 42 ILE CG1 . 16946 1 512 . 1 1 42 42 ILE CG2 C 13 18.755 0.210 . 1 . . . . 42 ILE CG2 . 16946 1 513 . 1 1 42 42 ILE N N 15 121.316 0.210 . 1 . . . . 42 ILE N . 16946 1 514 . 1 1 43 43 TYR H H 1 7.762 0.023 . 1 . . . . 43 TYR H . 16946 1 515 . 1 1 43 43 TYR HA H 1 4.535 0.023 . 1 . . . . 43 TYR HA . 16946 1 516 . 1 1 43 43 TYR HB2 H 1 3.267 0.023 . 1 . . . . 43 TYR HB2 . 16946 1 517 . 1 1 43 43 TYR HB3 H 1 2.313 0.023 . 1 . . . . 43 TYR HB3 . 16946 1 518 . 1 1 43 43 TYR HD1 H 1 6.818 0.023 . 1 . . . . 43 TYR HD1 . 16946 1 519 . 1 1 43 43 TYR HD2 H 1 6.818 0.023 . 1 . . . . 43 TYR HD2 . 16946 1 520 . 1 1 43 43 TYR HE1 H 1 6.818 0.023 . 1 . . . . 43 TYR HE1 . 16946 1 521 . 1 1 43 43 TYR HE2 H 1 6.818 0.023 . 1 . . . . 43 TYR HE2 . 16946 1 522 . 1 1 43 43 TYR C C 13 179.308 0.210 . 1 . . . . 43 TYR C . 16946 1 523 . 1 1 43 43 TYR CA C 13 59.323 0.210 . 1 . . . . 43 TYR CA . 16946 1 524 . 1 1 43 43 TYR CB C 13 42.171 0.210 . 1 . . . . 43 TYR CB . 16946 1 525 . 1 1 43 43 TYR CD1 C 13 133.057 0.210 . 1 . . . . 43 TYR CD1 . 16946 1 526 . 1 1 43 43 TYR CD2 C 13 133.057 0.210 . 1 . . . . 43 TYR CD2 . 16946 1 527 . 1 1 43 43 TYR N N 15 121.372 0.210 . 1 . . . . 43 TYR N . 16946 1 528 . 1 1 44 44 CYS H H 1 7.818 0.023 . 1 . . . . 44 CYS H . 16946 1 529 . 1 1 44 44 CYS HA H 1 4.700 0.023 . 1 . . . . 44 CYS HA . 16946 1 530 . 1 1 44 44 CYS HB2 H 1 2.558 0.023 . 2 . . . . 44 CYS HB2 . 16946 1 531 . 1 1 44 44 CYS HB3 H 1 2.433 0.023 . 2 . . . . 44 CYS HB3 . 16946 1 532 . 1 1 44 44 CYS C C 13 180.677 0.210 . 1 . . . . 44 CYS C . 16946 1 533 . 1 1 44 44 CYS CA C 13 54.327 0.210 . 1 . . . . 44 CYS CA . 16946 1 534 . 1 1 44 44 CYS CB C 13 31.649 0.210 . 1 . . . . 44 CYS CB . 16946 1 535 . 1 1 44 44 CYS N N 15 123.608 0.210 . 1 . . . . 44 CYS N . 16946 1 536 . 1 1 45 45 ASN H H 1 7.945 0.023 . 1 . . . . 45 ASN H . 16946 1 537 . 1 1 45 45 ASN HA H 1 4.406 0.023 . 1 . . . . 45 ASN HA . 16946 1 538 . 1 1 45 45 ASN HB2 H 1 3.548 0.023 . 2 . . . . 45 ASN HB2 . 16946 1 539 . 1 1 45 45 ASN HB3 H 1 1.879 0.023 . 2 . . . . 45 ASN HB3 . 16946 1 540 . 1 1 45 45 ASN C C 13 177.952 0.210 . 1 . . . . 45 ASN C . 16946 1 541 . 1 1 45 45 ASN CA C 13 50.650 0.210 . 1 . . . . 45 ASN CA . 16946 1 542 . 1 1 45 45 ASN CB C 13 39.388 0.210 . 1 . . . . 45 ASN CB . 16946 1 543 . 1 1 45 45 ASN N N 15 122.923 0.210 . 1 . . . . 45 ASN N . 16946 1 544 . 1 1 46 46 ASP H H 1 9.122 0.023 . 1 . . . . 46 ASP H . 16946 1 545 . 1 1 46 46 ASP HA H 1 4.208 0.023 . 1 . . . . 46 ASP HA . 16946 1 546 . 1 1 46 46 ASP HB2 H 1 2.638 0.023 . 2 . . . . 46 ASP HB2 . 16946 1 547 . 1 1 46 46 ASP HB3 H 1 2.638 0.023 . 2 . . . . 46 ASP HB3 . 16946 1 548 . 1 1 46 46 ASP C C 13 172.828 0.210 . 1 . . . . 46 ASP C . 16946 1 549 . 1 1 46 46 ASP CA C 13 57.782 0.210 . 1 . . . . 46 ASP CA . 16946 1 550 . 1 1 46 46 ASP CB C 13 39.232 0.210 . 1 . . . . 46 ASP CB . 16946 1 551 . 1 1 46 46 ASP N N 15 121.144 0.210 . 1 . . . . 46 ASP N . 16946 1 552 . 1 1 47 47 GLY H H 1 7.935 0.023 . 1 . . . . 47 GLY H . 16946 1 553 . 1 1 47 47 GLY HA2 H 1 3.999 0.023 . 1 . . . . 47 GLY HA2 . 16946 1 554 . 1 1 47 47 GLY HA3 H 1 3.814 0.023 . 1 . . . . 47 GLY HA3 . 16946 1 555 . 1 1 47 47 GLY C C 13 175.815 0.210 . 1 . . . . 47 GLY C . 16946 1 556 . 1 1 47 47 GLY CA C 13 47.309 0.210 . 1 . . . . 47 GLY CA . 16946 1 557 . 1 1 47 47 GLY N N 15 105.429 0.210 . 1 . . . . 47 GLY N . 16946 1 558 . 1 1 48 48 PHE H H 1 8.166 0.023 . 1 . . . . 48 PHE H . 16946 1 559 . 1 1 48 48 PHE HA H 1 3.813 0.023 . 1 . . . . 48 PHE HA . 16946 1 560 . 1 1 48 48 PHE HB2 H 1 3.063 0.023 . 1 . . . . 48 PHE HB2 . 16946 1 561 . 1 1 48 48 PHE HB3 H 1 2.997 0.023 . 1 . . . . 48 PHE HB3 . 16946 1 562 . 1 1 48 48 PHE HD1 H 1 6.520 0.023 . 1 . . . . 48 PHE HD1 . 16946 1 563 . 1 1 48 48 PHE HD2 H 1 6.520 0.023 . 1 . . . . 48 PHE HD2 . 16946 1 564 . 1 1 48 48 PHE HE1 H 1 6.520 0.023 . 1 . . . . 48 PHE HE1 . 16946 1 565 . 1 1 48 48 PHE HE2 H 1 6.520 0.023 . 1 . . . . 48 PHE HE2 . 16946 1 566 . 1 1 48 48 PHE HZ H 1 6.520 0.023 . 1 . . . . 48 PHE HZ . 16946 1 567 . 1 1 48 48 PHE C C 13 175.405 0.210 . 1 . . . . 48 PHE C . 16946 1 568 . 1 1 48 48 PHE CA C 13 62.945 0.210 . 1 . . . . 48 PHE CA . 16946 1 569 . 1 1 48 48 PHE CB C 13 39.162 0.210 . 1 . . . . 48 PHE CB . 16946 1 570 . 1 1 48 48 PHE CD1 C 13 132.329 0.210 . 1 . . . . 48 PHE CD1 . 16946 1 571 . 1 1 48 48 PHE CD2 C 13 132.329 0.210 . 1 . . . . 48 PHE CD2 . 16946 1 572 . 1 1 48 48 PHE CE1 C 13 131.116 0.210 . 1 . . . . 48 PHE CE1 . 16946 1 573 . 1 1 48 48 PHE CE2 C 13 131.116 0.210 . 1 . . . . 48 PHE CE2 . 16946 1 574 . 1 1 48 48 PHE N N 15 123.877 0.210 . 1 . . . . 48 PHE N . 16946 1 575 . 1 1 49 49 CYS H H 1 7.370 0.023 . 1 . . . . 49 CYS H . 16946 1 576 . 1 1 49 49 CYS HA H 1 3.889 0.023 . 1 . . . . 49 CYS HA . 16946 1 577 . 1 1 49 49 CYS HB2 H 1 3.183 0.023 . 2 . . . . 49 CYS HB2 . 16946 1 578 . 1 1 49 49 CYS HB3 H 1 2.823 0.023 . 2 . . . . 49 CYS HB3 . 16946 1 579 . 1 1 49 49 CYS C C 13 174.612 0.210 . 1 . . . . 49 CYS C . 16946 1 580 . 1 1 49 49 CYS CA C 13 63.767 0.210 . 1 . . . . 49 CYS CA . 16946 1 581 . 1 1 49 49 CYS CB C 13 27.475 0.210 . 1 . . . . 49 CYS CB . 16946 1 582 . 1 1 49 49 CYS N N 15 119.762 0.210 . 1 . . . . 49 CYS N . 16946 1 583 . 1 1 50 50 GLU H H 1 8.229 0.023 . 1 . . . . 50 GLU H . 16946 1 584 . 1 1 50 50 GLU HA H 1 3.782 0.023 . 1 . . . . 50 GLU HA . 16946 1 585 . 1 1 50 50 GLU HB2 H 1 1.901 0.023 . 1 . . . . 50 GLU HB2 . 16946 1 586 . 1 1 50 50 GLU HB3 H 1 1.901 0.023 . 1 . . . . 50 GLU HB3 . 16946 1 587 . 1 1 50 50 GLU HG2 H 1 2.219 0.023 . 2 . . . . 50 GLU HG2 . 16946 1 588 . 1 1 50 50 GLU HG3 H 1 2.087 0.023 . 2 . . . . 50 GLU HG3 . 16946 1 589 . 1 1 50 50 GLU C C 13 173.956 0.210 . 1 . . . . 50 GLU C . 16946 1 590 . 1 1 50 50 GLU CA C 13 58.368 0.210 . 1 . . . . 50 GLU CA . 16946 1 591 . 1 1 50 50 GLU CB C 13 29.361 0.210 . 1 . . . . 50 GLU CB . 16946 1 592 . 1 1 50 50 GLU CG C 13 35.776 0.210 . 1 . . . . 50 GLU CG . 16946 1 593 . 1 1 50 50 GLU N N 15 119.276 0.210 . 1 . . . . 50 GLU N . 16946 1 594 . 1 1 51 51 LEU H H 1 7.518 0.023 . 1 . . . . 51 LEU H . 16946 1 595 . 1 1 51 51 LEU HA H 1 3.829 0.023 . 1 . . . . 51 LEU HA . 16946 1 596 . 1 1 51 51 LEU HB2 H 1 1.739 0.023 . 2 . . . . 51 LEU HB2 . 16946 1 597 . 1 1 51 51 LEU HB3 H 1 1.304 0.023 . 2 . . . . 51 LEU HB3 . 16946 1 598 . 1 1 51 51 LEU HD11 H 1 0.574 0.023 . 1 . . . . 51 LEU HD1 . 16946 1 599 . 1 1 51 51 LEU HD12 H 1 0.574 0.023 . 1 . . . . 51 LEU HD1 . 16946 1 600 . 1 1 51 51 LEU HD13 H 1 0.574 0.023 . 1 . . . . 51 LEU HD1 . 16946 1 601 . 1 1 51 51 LEU HD21 H 1 0.269 0.023 . 1 . . . . 51 LEU HD2 . 16946 1 602 . 1 1 51 51 LEU HD22 H 1 0.269 0.023 . 1 . . . . 51 LEU HD2 . 16946 1 603 . 1 1 51 51 LEU HD23 H 1 0.269 0.023 . 1 . . . . 51 LEU HD2 . 16946 1 604 . 1 1 51 51 LEU HG H 1 0.743 0.023 . 1 . . . . 51 LEU HG . 16946 1 605 . 1 1 51 51 LEU C C 13 175.878 0.210 . 1 . . . . 51 LEU C . 16946 1 606 . 1 1 51 51 LEU CA C 13 57.555 0.210 . 1 . . . . 51 LEU CA . 16946 1 607 . 1 1 51 51 LEU CB C 13 41.590 0.210 . 1 . . . . 51 LEU CB . 16946 1 608 . 1 1 51 51 LEU CD1 C 13 25.767 0.210 . 1 . . . . 51 LEU CD1 . 16946 1 609 . 1 1 51 51 LEU CD2 C 13 23.236 0.210 . 1 . . . . 51 LEU CD2 . 16946 1 610 . 1 1 51 51 LEU CG C 13 26.819 0.210 . 1 . . . . 51 LEU CG . 16946 1 611 . 1 1 51 51 LEU N N 15 119.820 0.210 . 1 . . . . 51 LEU N . 16946 1 612 . 1 1 52 52 CYS H H 1 7.239 0.023 . 1 . . . . 52 CYS H . 16946 1 613 . 1 1 52 52 CYS HA H 1 4.498 0.023 . 1 . . . . 52 CYS HA . 16946 1 614 . 1 1 52 52 CYS HB2 H 1 2.968 0.023 . 2 . . . . 52 CYS HB2 . 16946 1 615 . 1 1 52 52 CYS HB3 H 1 2.223 0.023 . 2 . . . . 52 CYS HB3 . 16946 1 616 . 1 1 52 52 CYS C C 13 177.886 0.210 . 1 . . . . 52 CYS C . 16946 1 617 . 1 1 52 52 CYS CA C 13 57.793 0.210 . 1 . . . . 52 CYS CA . 16946 1 618 . 1 1 52 52 CYS CB C 13 29.628 0.210 . 1 . . . . 52 CYS CB . 16946 1 619 . 1 1 52 52 CYS N N 15 106.924 0.210 . 1 . . . . 52 CYS N . 16946 1 620 . 1 1 53 53 GLY H H 1 7.959 0.023 . 1 . . . . 53 GLY H . 16946 1 621 . 1 1 53 53 GLY HA2 H 1 4.195 0.023 . 1 . . . . 53 GLY HA2 . 16946 1 622 . 1 1 53 53 GLY HA3 H 1 3.546 0.023 . 1 . . . . 53 GLY HA3 . 16946 1 623 . 1 1 53 53 GLY C C 13 178.833 0.210 . 1 . . . . 53 GLY C . 16946 1 624 . 1 1 53 53 GLY CA C 13 45.971 0.210 . 1 . . . . 53 GLY CA . 16946 1 625 . 1 1 53 53 GLY N N 15 110.947 0.210 . 1 . . . . 53 GLY N . 16946 1 626 . 1 1 54 54 TYR H H 1 7.422 0.023 . 1 . . . . 54 TYR H . 16946 1 627 . 1 1 54 54 TYR HA H 1 4.277 0.023 . 1 . . . . 54 TYR HA . 16946 1 628 . 1 1 54 54 TYR HB2 H 1 2.581 0.023 . 2 . . . . 54 TYR HB2 . 16946 1 629 . 1 1 54 54 TYR HB3 H 1 2.581 0.023 . 2 . . . . 54 TYR HB3 . 16946 1 630 . 1 1 54 54 TYR HD1 H 1 6.796 0.023 . 1 . . . . 54 TYR HD1 . 16946 1 631 . 1 1 54 54 TYR HD2 H 1 6.796 0.023 . 1 . . . . 54 TYR HD2 . 16946 1 632 . 1 1 54 54 TYR HE1 H 1 6.796 0.023 . 1 . . . . 54 TYR HE1 . 16946 1 633 . 1 1 54 54 TYR HE2 H 1 6.796 0.023 . 1 . . . . 54 TYR HE2 . 16946 1 634 . 1 1 54 54 TYR C C 13 177.985 0.210 . 1 . . . . 54 TYR C . 16946 1 635 . 1 1 54 54 TYR CA C 13 57.727 0.210 . 1 . . . . 54 TYR CA . 16946 1 636 . 1 1 54 54 TYR CB C 13 39.435 0.210 . 1 . . . . 54 TYR CB . 16946 1 637 . 1 1 54 54 TYR N N 15 118.892 0.210 . 1 . . . . 54 TYR N . 16946 1 638 . 1 1 55 55 SER H H 1 8.727 0.023 . 1 . . . . 55 SER H . 16946 1 639 . 1 1 55 55 SER HA H 1 4.299 0.023 . 1 . . . . 55 SER HA . 16946 1 640 . 1 1 55 55 SER HB2 H 1 4.074 0.023 . 2 . . . . 55 SER HB2 . 16946 1 641 . 1 1 55 55 SER HB3 H 1 3.878 0.023 . 2 . . . . 55 SER HB3 . 16946 1 642 . 1 1 55 55 SER C C 13 176.756 0.210 . 1 . . . . 55 SER C . 16946 1 643 . 1 1 55 55 SER CA C 13 57.126 0.210 . 1 . . . . 55 SER CA . 16946 1 644 . 1 1 55 55 SER CB C 13 65.654 0.210 . 1 . . . . 55 SER CB . 16946 1 645 . 1 1 55 55 SER N N 15 116.168 0.210 . 1 . . . . 55 SER N . 16946 1 646 . 1 1 56 56 ARG H H 1 8.805 0.023 . 1 . . . . 56 ARG H . 16946 1 647 . 1 1 56 56 ARG HA H 1 3.579 0.023 . 1 . . . . 56 ARG HA . 16946 1 648 . 1 1 56 56 ARG HB2 H 1 1.659 0.023 . 2 . . . . 56 ARG HB2 . 16946 1 649 . 1 1 56 56 ARG HB3 H 1 1.659 0.023 . 2 . . . . 56 ARG HB3 . 16946 1 650 . 1 1 56 56 ARG C C 13 173.979 0.210 . 1 . . . . 56 ARG C . 16946 1 651 . 1 1 56 56 ARG CA C 13 60.508 0.210 . 1 . . . . 56 ARG CA . 16946 1 652 . 1 1 56 56 ARG CB C 13 29.585 0.210 . 1 . . . . 56 ARG CB . 16946 1 653 . 1 1 56 56 ARG CD C 13 42.882 0.210 . 1 . . . . 56 ARG CD . 16946 1 654 . 1 1 56 56 ARG N N 15 122.903 0.210 . 1 . . . . 56 ARG N . 16946 1 655 . 1 1 57 57 ALA H H 1 8.176 0.023 . 1 . . . . 57 ALA H . 16946 1 656 . 1 1 57 57 ALA HA H 1 3.917 0.023 . 1 . . . . 57 ALA HA . 16946 1 657 . 1 1 57 57 ALA HB1 H 1 1.266 0.023 . 1 . . . . 57 ALA HB . 16946 1 658 . 1 1 57 57 ALA HB2 H 1 1.266 0.023 . 1 . . . . 57 ALA HB . 16946 1 659 . 1 1 57 57 ALA HB3 H 1 1.266 0.023 . 1 . . . . 57 ALA HB . 16946 1 660 . 1 1 57 57 ALA C C 13 172.396 0.210 . 1 . . . . 57 ALA C . 16946 1 661 . 1 1 57 57 ALA CA C 13 54.447 0.210 . 1 . . . . 57 ALA CA . 16946 1 662 . 1 1 57 57 ALA CB C 13 18.371 0.210 . 1 . . . . 57 ALA CB . 16946 1 663 . 1 1 57 57 ALA N N 15 118.226 0.210 . 1 . . . . 57 ALA N . 16946 1 664 . 1 1 58 58 GLU H H 1 7.487 0.023 . 1 . . . . 58 GLU H . 16946 1 665 . 1 1 58 58 GLU HA H 1 3.913 0.023 . 1 . . . . 58 GLU HA . 16946 1 666 . 1 1 58 58 GLU HB2 H 1 2.379 0.023 . 2 . . . . 58 GLU HB2 . 16946 1 667 . 1 1 58 58 GLU HB3 H 1 1.898 0.023 . 2 . . . . 58 GLU HB3 . 16946 1 668 . 1 1 58 58 GLU HG2 H 1 2.162 0.023 . 2 . . . . 58 GLU HG2 . 16946 1 669 . 1 1 58 58 GLU HG3 H 1 2.115 0.023 . 2 . . . . 58 GLU HG3 . 16946 1 670 . 1 1 58 58 GLU C C 13 176.423 0.210 . 1 . . . . 58 GLU C . 16946 1 671 . 1 1 58 58 GLU CA C 13 57.498 0.210 . 1 . . . . 58 GLU CA . 16946 1 672 . 1 1 58 58 GLU CB C 13 31.198 0.210 . 1 . . . . 58 GLU CB . 16946 1 673 . 1 1 58 58 GLU CG C 13 37.813 0.210 . 1 . . . . 58 GLU CG . 16946 1 674 . 1 1 58 58 GLU N N 15 115.662 0.210 . 1 . . . . 58 GLU N . 16946 1 675 . 1 1 59 59 VAL H H 1 7.334 0.023 . 1 . . . . 59 VAL H . 16946 1 676 . 1 1 59 59 VAL HA H 1 3.315 0.023 . 1 . . . . 59 VAL HA . 16946 1 677 . 1 1 59 59 VAL HB H 1 1.941 0.023 . 1 . . . . 59 VAL HB . 16946 1 678 . 1 1 59 59 VAL HG11 H 1 0.806 0.023 . 2 . . . . 59 VAL HG1 . 16946 1 679 . 1 1 59 59 VAL HG12 H 1 0.806 0.023 . 2 . . . . 59 VAL HG1 . 16946 1 680 . 1 1 59 59 VAL HG13 H 1 0.806 0.023 . 2 . . . . 59 VAL HG1 . 16946 1 681 . 1 1 59 59 VAL HG21 H 1 0.806 0.023 . 2 . . . . 59 VAL HG2 . 16946 1 682 . 1 1 59 59 VAL HG22 H 1 0.806 0.023 . 2 . . . . 59 VAL HG2 . 16946 1 683 . 1 1 59 59 VAL HG23 H 1 0.806 0.023 . 2 . . . . 59 VAL HG2 . 16946 1 684 . 1 1 59 59 VAL C C 13 176.299 0.210 . 1 . . . . 59 VAL C . 16946 1 685 . 1 1 59 59 VAL CA C 13 64.238 0.210 . 1 . . . . 59 VAL CA . 16946 1 686 . 1 1 59 59 VAL CB C 13 33.860 0.210 . 1 . . . . 59 VAL CB . 16946 1 687 . 1 1 59 59 VAL CG1 C 13 22.266 0.210 . 1 . . . . 59 VAL CG1 . 16946 1 688 . 1 1 59 59 VAL CG2 C 13 22.266 0.210 . 1 . . . . 59 VAL CG2 . 16946 1 689 . 1 1 59 59 VAL N N 15 118.519 0.210 . 1 . . . . 59 VAL N . 16946 1 690 . 1 1 60 60 MET H H 1 7.675 0.023 . 1 . . . . 60 MET H . 16946 1 691 . 1 1 60 60 MET HA H 1 3.779 0.023 . 1 . . . . 60 MET HA . 16946 1 692 . 1 1 60 60 MET HB2 H 1 1.910 0.023 . 2 . . . . 60 MET HB2 . 16946 1 693 . 1 1 60 60 MET HB3 H 1 1.910 0.023 . 2 . . . . 60 MET HB3 . 16946 1 694 . 1 1 60 60 MET HE1 H 1 1.989 0.023 . 1 . . . . 60 MET HE . 16946 1 695 . 1 1 60 60 MET HE2 H 1 1.989 0.023 . 1 . . . . 60 MET HE . 16946 1 696 . 1 1 60 60 MET HE3 H 1 1.989 0.023 . 1 . . . . 60 MET HE . 16946 1 697 . 1 1 60 60 MET HG2 H 1 2.594 0.023 . 2 . . . . 60 MET HG2 . 16946 1 698 . 1 1 60 60 MET HG3 H 1 2.457 0.023 . 2 . . . . 60 MET HG3 . 16946 1 699 . 1 1 60 60 MET C C 13 175.084 0.210 . 1 . . . . 60 MET C . 16946 1 700 . 1 1 60 60 MET CA C 13 56.180 0.210 . 1 . . . . 60 MET CA . 16946 1 701 . 1 1 60 60 MET CB C 13 31.593 0.210 . 1 . . . . 60 MET CB . 16946 1 702 . 1 1 60 60 MET CE C 13 16.481 0.210 . 1 . . . . 60 MET CE . 16946 1 703 . 1 1 60 60 MET CG C 13 33.600 0.210 . 1 . . . . 60 MET CG . 16946 1 704 . 1 1 60 60 MET N N 15 115.486 0.210 . 1 . . . . 60 MET N . 16946 1 705 . 1 1 61 61 GLN H H 1 8.502 0.023 . 1 . . . . 61 GLN H . 16946 1 706 . 1 1 61 61 GLN HA H 1 3.784 0.023 . 1 . . . . 61 GLN HA . 16946 1 707 . 1 1 61 61 GLN HB2 H 1 2.292 0.023 . 1 . . . . 61 GLN HB2 . 16946 1 708 . 1 1 61 61 GLN HB3 H 1 2.292 0.023 . 1 . . . . 61 GLN HB3 . 16946 1 709 . 1 1 61 61 GLN HE21 H 1 7.207 0.023 . 2 . . . . 61 GLN HE21 . 16946 1 710 . 1 1 61 61 GLN HE22 H 1 6.736 0.023 . 2 . . . . 61 GLN HE22 . 16946 1 711 . 1 1 61 61 GLN HG2 H 1 2.290 0.023 . 2 . . . . 61 GLN HG2 . 16946 1 712 . 1 1 61 61 GLN HG3 H 1 2.290 0.023 . 2 . . . . 61 GLN HG3 . 16946 1 713 . 1 1 61 61 GLN C C 13 176.888 0.210 . 1 . . . . 61 GLN C . 16946 1 714 . 1 1 61 61 GLN CA C 13 57.814 0.210 . 1 . . . . 61 GLN CA . 16946 1 715 . 1 1 61 61 GLN CB C 13 27.169 0.210 . 1 . . . . 61 GLN CB . 16946 1 716 . 1 1 61 61 GLN CG C 13 34.410 0.210 . 1 . . . . 61 GLN CG . 16946 1 717 . 1 1 61 61 GLN N N 15 112.078 0.210 . 1 . . . . 61 GLN N . 16946 1 718 . 1 1 61 61 GLN NE2 N 15 110.760 0.210 . 1 . . . . 61 GLN NE2 . 16946 1 719 . 1 1 62 62 ARG H H 1 7.619 0.023 . 1 . . . . 62 ARG H . 16946 1 720 . 1 1 62 62 ARG HA H 1 4.549 0.023 . 1 . . . . 62 ARG HA . 16946 1 721 . 1 1 62 62 ARG HB2 H 1 1.833 0.023 . 2 . . . . 62 ARG HB2 . 16946 1 722 . 1 1 62 62 ARG HB3 H 1 1.833 0.023 . 2 . . . . 62 ARG HB3 . 16946 1 723 . 1 1 62 62 ARG HD2 H 1 2.757 0.023 . 2 . . . . 62 ARG HD2 . 16946 1 724 . 1 1 62 62 ARG HD3 H 1 2.757 0.023 . 2 . . . . 62 ARG HD3 . 16946 1 725 . 1 1 62 62 ARG HE H 1 6.866 0.023 . 1 . . . . 62 ARG HE . 16946 1 726 . 1 1 62 62 ARG HG2 H 1 1.413 0.023 . 2 . . . . 62 ARG HG2 . 16946 1 727 . 1 1 62 62 ARG HG3 H 1 1.413 0.023 . 2 . . . . 62 ARG HG3 . 16946 1 728 . 1 1 62 62 ARG CA C 13 54.382 0.210 . 1 . . . . 62 ARG CA . 16946 1 729 . 1 1 62 62 ARG CB C 13 29.135 0.210 . 1 . . . . 62 ARG CB . 16946 1 730 . 1 1 62 62 ARG CD C 13 43.186 0.210 . 1 . . . . 62 ARG CD . 16946 1 731 . 1 1 62 62 ARG CG C 13 27.726 0.210 . 1 . . . . 62 ARG CG . 16946 1 732 . 1 1 62 62 ARG N N 15 120.250 0.210 . 1 . . . . 62 ARG N . 16946 1 733 . 1 1 62 62 ARG NE N 15 85.468 0.210 . 1 . . . . 62 ARG NE . 16946 1 734 . 1 1 64 64 CYS HA H 1 4.155 0.023 . 1 . . . . 64 CYS HA . 16946 1 735 . 1 1 64 64 CYS HB2 H 1 2.987 0.023 . 2 . . . . 64 CYS HB2 . 16946 1 736 . 1 1 64 64 CYS HB3 H 1 2.684 0.023 . 2 . . . . 64 CYS HB3 . 16946 1 737 . 1 1 64 64 CYS C C 13 180.000 0.210 . 1 . . . . 64 CYS C . 16946 1 738 . 1 1 64 64 CYS CA C 13 60.632 0.210 . 1 . . . . 64 CYS CA . 16946 1 739 . 1 1 64 64 CYS CB C 13 28.063 0.210 . 1 . . . . 64 CYS CB . 16946 1 740 . 1 1 65 65 THR H H 1 6.882 0.023 . 1 . . . . 65 THR H . 16946 1 741 . 1 1 65 65 THR HA H 1 3.653 0.023 . 1 . . . . 65 THR HA . 16946 1 742 . 1 1 65 65 THR HB H 1 4.284 0.023 . 1 . . . . 65 THR HB . 16946 1 743 . 1 1 65 65 THR HG21 H 1 1.055 0.023 . 1 . . . . 65 THR HG2 . 16946 1 744 . 1 1 65 65 THR HG22 H 1 1.055 0.023 . 1 . . . . 65 THR HG2 . 16946 1 745 . 1 1 65 65 THR HG23 H 1 1.055 0.023 . 1 . . . . 65 THR HG2 . 16946 1 746 . 1 1 65 65 THR C C 13 177.139 0.210 . 1 . . . . 65 THR C . 16946 1 747 . 1 1 65 65 THR CA C 13 62.997 0.210 . 1 . . . . 65 THR CA . 16946 1 748 . 1 1 65 65 THR CB C 13 67.730 0.210 . 1 . . . . 65 THR CB . 16946 1 749 . 1 1 65 65 THR CG2 C 13 23.546 0.210 . 1 . . . . 65 THR CG2 . 16946 1 750 . 1 1 65 65 THR N N 15 107.659 0.210 . 1 . . . . 65 THR N . 16946 1 751 . 1 1 66 66 CYS H H 1 8.172 0.023 . 1 . . . . 66 CYS H . 16946 1 752 . 1 1 66 66 CYS HA H 1 3.335 0.023 . 1 . . . . 66 CYS HA . 16946 1 753 . 1 1 66 66 CYS HB2 H 1 2.813 0.023 . 2 . . . . 66 CYS HB2 . 16946 1 754 . 1 1 66 66 CYS HB3 H 1 2.813 0.023 . 2 . . . . 66 CYS HB3 . 16946 1 755 . 1 1 66 66 CYS C C 13 177.071 0.210 . 1 . . . . 66 CYS C . 16946 1 756 . 1 1 66 66 CYS CA C 13 60.478 0.210 . 1 . . . . 66 CYS CA . 16946 1 757 . 1 1 66 66 CYS CB C 13 23.755 0.210 . 1 . . . . 66 CYS CB . 16946 1 758 . 1 1 66 66 CYS N N 15 111.100 0.210 . 1 . . . . 66 CYS N . 16946 1 759 . 1 1 67 67 ASP H H 1 8.211 0.023 . 1 . . . . 67 ASP H . 16946 1 760 . 1 1 67 67 ASP HA H 1 2.428 0.023 . 1 . . . . 67 ASP HA . 16946 1 761 . 1 1 67 67 ASP HB2 H 1 2.194 0.023 . 2 . . . . 67 ASP HB2 . 16946 1 762 . 1 1 67 67 ASP HB3 H 1 2.194 0.023 . 2 . . . . 67 ASP HB3 . 16946 1 763 . 1 1 67 67 ASP C C 13 174.804 0.210 . 1 . . . . 67 ASP C . 16946 1 764 . 1 1 67 67 ASP CA C 13 56.257 0.210 . 1 . . . . 67 ASP CA . 16946 1 765 . 1 1 67 67 ASP CB C 13 39.377 0.210 . 1 . . . . 67 ASP CB . 16946 1 766 . 1 1 67 67 ASP N N 15 117.498 0.210 . 1 . . . . 67 ASP N . 16946 1 767 . 1 1 68 68 PHE H H 1 6.833 0.023 . 1 . . . . 68 PHE H . 16946 1 768 . 1 1 68 68 PHE HA H 1 4.332 0.023 . 1 . . . . 68 PHE HA . 16946 1 769 . 1 1 68 68 PHE HB2 H 1 2.922 0.023 . 2 . . . . 68 PHE HB2 . 16946 1 770 . 1 1 68 68 PHE HB3 H 1 2.795 0.023 . 2 . . . . 68 PHE HB3 . 16946 1 771 . 1 1 68 68 PHE HD1 H 1 6.523 0.023 . 1 . . . . 68 PHE HD1 . 16946 1 772 . 1 1 68 68 PHE HD2 H 1 6.523 0.023 . 1 . . . . 68 PHE HD2 . 16946 1 773 . 1 1 68 68 PHE HE1 H 1 6.523 0.023 . 1 . . . . 68 PHE HE1 . 16946 1 774 . 1 1 68 68 PHE HE2 H 1 6.523 0.023 . 1 . . . . 68 PHE HE2 . 16946 1 775 . 1 1 68 68 PHE HZ H 1 6.523 0.023 . 1 . . . . 68 PHE HZ . 16946 1 776 . 1 1 68 68 PHE C C 13 176.727 0.210 . 1 . . . . 68 PHE C . 16946 1 777 . 1 1 68 68 PHE CA C 13 56.773 0.210 . 1 . . . . 68 PHE CA . 16946 1 778 . 1 1 68 68 PHE CB C 13 36.986 0.210 . 1 . . . . 68 PHE CB . 16946 1 779 . 1 1 68 68 PHE N N 15 113.700 0.210 . 1 . . . . 68 PHE N . 16946 1 780 . 1 1 69 69 LEU H H 1 7.368 0.023 . 1 . . . . 69 LEU H . 16946 1 781 . 1 1 69 69 LEU HA H 1 4.495 0.023 . 1 . . . . 69 LEU HA . 16946 1 782 . 1 1 69 69 LEU HB2 H 1 1.080 0.023 . 2 . . . . 69 LEU HB2 . 16946 1 783 . 1 1 69 69 LEU HD11 H 1 0.014 0.023 . 2 . . . . 69 LEU HD1 . 16946 1 784 . 1 1 69 69 LEU HD12 H 1 0.014 0.023 . 2 . . . . 69 LEU HD1 . 16946 1 785 . 1 1 69 69 LEU HD13 H 1 0.014 0.023 . 2 . . . . 69 LEU HD1 . 16946 1 786 . 1 1 69 69 LEU C C 13 175.057 0.210 . 1 . . . . 69 LEU C . 16946 1 787 . 1 1 69 69 LEU CA C 13 54.038 0.210 . 1 . . . . 69 LEU CA . 16946 1 788 . 1 1 69 69 LEU CB C 13 40.856 0.210 . 1 . . . . 69 LEU CB . 16946 1 789 . 1 1 69 69 LEU CD1 C 13 24.540 0.210 . 1 . . . . 69 LEU CD1 . 16946 1 790 . 1 1 69 69 LEU N N 15 118.967 0.210 . 1 . . . . 69 LEU N . 16946 1 791 . 1 1 70 70 HIS H H 1 7.582 0.023 . 1 . . . . 70 HIS H . 16946 1 792 . 1 1 70 70 HIS HA H 1 5.178 0.023 . 1 . . . . 70 HIS HA . 16946 1 793 . 1 1 70 70 HIS HB2 H 1 3.400 0.023 . 2 . . . . 70 HIS HB2 . 16946 1 794 . 1 1 70 70 HIS HB3 H 1 3.236 0.023 . 2 . . . . 70 HIS HB3 . 16946 1 795 . 1 1 70 70 HIS C C 13 176.788 0.210 . 1 . . . . 70 HIS C . 16946 1 796 . 1 1 70 70 HIS CA C 13 54.597 0.210 . 1 . . . . 70 HIS CA . 16946 1 797 . 1 1 70 70 HIS CB C 13 30.566 0.210 . 1 . . . . 70 HIS CB . 16946 1 798 . 1 1 70 70 HIS N N 15 117.194 0.210 . 1 . . . . 70 HIS N . 16946 1 799 . 1 1 71 71 GLY H H 1 8.733 0.023 . 1 . . . . 71 GLY H . 16946 1 800 . 1 1 71 71 GLY HA2 H 1 3.921 0.023 . 2 . . . . 71 GLY HA2 . 16946 1 801 . 1 1 71 71 GLY HA3 H 1 3.921 0.023 . 2 . . . . 71 GLY HA3 . 16946 1 802 . 1 1 71 71 GLY CA C 13 45.535 0.210 . 1 . . . . 71 GLY CA . 16946 1 803 . 1 1 71 71 GLY N N 15 110.275 0.210 . 1 . . . . 71 GLY N . 16946 1 804 . 1 1 72 72 PRO HA H 1 4.113 0.023 . 1 . . . . 72 PRO HA . 16946 1 805 . 1 1 72 72 PRO HD2 H 1 3.161 0.023 . 2 . . . . 72 PRO HD2 . 16946 1 806 . 1 1 72 72 PRO HD3 H 1 2.891 0.023 . 2 . . . . 72 PRO HD3 . 16946 1 807 . 1 1 72 72 PRO C C 13 173.756 0.210 . 1 . . . . 72 PRO C . 16946 1 808 . 1 1 72 72 PRO CA C 13 66.675 0.210 . 1 . . . . 72 PRO CA . 16946 1 809 . 1 1 72 72 PRO CB C 13 32.490 0.210 . 1 . . . . 72 PRO CB . 16946 1 810 . 1 1 72 72 PRO CD C 13 49.043 0.210 . 1 . . . . 72 PRO CD . 16946 1 811 . 1 1 72 72 PRO CG C 13 27.185 0.210 . 1 . . . . 72 PRO CG . 16946 1 812 . 1 1 73 73 ARG H H 1 8.597 0.023 . 1 . . . . 73 ARG H . 16946 1 813 . 1 1 73 73 ARG HA H 1 4.167 0.023 . 1 . . . . 73 ARG HA . 16946 1 814 . 1 1 73 73 ARG C C 13 175.385 0.210 . 1 . . . . 73 ARG C . 16946 1 815 . 1 1 73 73 ARG CA C 13 56.610 0.210 . 1 . . . . 73 ARG CA . 16946 1 816 . 1 1 73 73 ARG CB C 13 30.331 0.210 . 1 . . . . 73 ARG CB . 16946 1 817 . 1 1 73 73 ARG CD C 13 43.691 0.210 . 1 . . . . 73 ARG CD . 16946 1 818 . 1 1 73 73 ARG N N 15 111.514 0.210 . 1 . . . . 73 ARG N . 16946 1 819 . 1 1 74 74 THR H H 1 8.282 0.023 . 1 . . . . 74 THR H . 16946 1 820 . 1 1 74 74 THR HA H 1 3.972 0.023 . 1 . . . . 74 THR HA . 16946 1 821 . 1 1 74 74 THR HB H 1 4.127 0.023 . 1 . . . . 74 THR HB . 16946 1 822 . 1 1 74 74 THR HG21 H 1 0.718 0.023 . 1 . . . . 74 THR HG2 . 16946 1 823 . 1 1 74 74 THR HG22 H 1 0.718 0.023 . 1 . . . . 74 THR HG2 . 16946 1 824 . 1 1 74 74 THR HG23 H 1 0.718 0.023 . 1 . . . . 74 THR HG2 . 16946 1 825 . 1 1 74 74 THR C C 13 177.484 0.210 . 1 . . . . 74 THR C . 16946 1 826 . 1 1 74 74 THR CA C 13 64.127 0.210 . 1 . . . . 74 THR CA . 16946 1 827 . 1 1 74 74 THR CB C 13 68.378 0.210 . 1 . . . . 74 THR CB . 16946 1 828 . 1 1 74 74 THR CG2 C 13 21.375 0.210 . 1 . . . . 74 THR CG2 . 16946 1 829 . 1 1 74 74 THR N N 15 119.282 0.210 . 1 . . . . 74 THR N . 16946 1 830 . 1 1 75 75 GLN H H 1 9.147 0.023 . 1 . . . . 75 GLN H . 16946 1 831 . 1 1 75 75 GLN HA H 1 4.168 0.023 . 1 . . . . 75 GLN HA . 16946 1 832 . 1 1 75 75 GLN HB2 H 1 2.163 0.023 . 2 . . . . 75 GLN HB2 . 16946 1 833 . 1 1 75 75 GLN HB3 H 1 1.977 0.023 . 2 . . . . 75 GLN HB3 . 16946 1 834 . 1 1 75 75 GLN HG2 H 1 2.514 0.023 . 2 . . . . 75 GLN HG2 . 16946 1 835 . 1 1 75 75 GLN HG3 H 1 2.514 0.023 . 2 . . . . 75 GLN HG3 . 16946 1 836 . 1 1 75 75 GLN C C 13 175.149 0.210 . 1 . . . . 75 GLN C . 16946 1 837 . 1 1 75 75 GLN CA C 13 56.318 0.210 . 1 . . . . 75 GLN CA . 16946 1 838 . 1 1 75 75 GLN CB C 13 28.422 0.210 . 1 . . . . 75 GLN CB . 16946 1 839 . 1 1 75 75 GLN CG C 13 33.999 0.210 . 1 . . . . 75 GLN CG . 16946 1 840 . 1 1 75 75 GLN N N 15 131.116 0.210 . 1 . . . . 75 GLN N . 16946 1 841 . 1 1 76 76 ARG H H 1 8.978 0.023 . 1 . . . . 76 ARG H . 16946 1 842 . 1 1 76 76 ARG HA H 1 3.856 0.023 . 1 . . . . 76 ARG HA . 16946 1 843 . 1 1 76 76 ARG HB2 H 1 1.831 0.023 . 2 . . . . 76 ARG HB2 . 16946 1 844 . 1 1 76 76 ARG HD2 H 1 3.147 0.023 . 2 . . . . 76 ARG HD2 . 16946 1 845 . 1 1 76 76 ARG HD3 H 1 3.147 0.023 . 2 . . . . 76 ARG HD3 . 16946 1 846 . 1 1 76 76 ARG HG2 H 1 1.715 0.023 . 2 . . . . 76 ARG HG2 . 16946 1 847 . 1 1 76 76 ARG HG3 H 1 1.630 0.023 . 2 . . . . 76 ARG HG3 . 16946 1 848 . 1 1 76 76 ARG C C 13 172.600 0.210 . 1 . . . . 76 ARG C . 16946 1 849 . 1 1 76 76 ARG CA C 13 59.360 0.210 . 1 . . . . 76 ARG CA . 16946 1 850 . 1 1 76 76 ARG CB C 13 29.648 0.210 . 1 . . . . 76 ARG CB . 16946 1 851 . 1 1 76 76 ARG CD C 13 43.094 0.210 . 1 . . . . 76 ARG CD . 16946 1 852 . 1 1 76 76 ARG CG C 13 27.132 0.210 . 1 . . . . 76 ARG CG . 16946 1 853 . 1 1 76 76 ARG N N 15 127.483 0.210 . 1 . . . . 76 ARG N . 16946 1 854 . 1 1 77 77 ARG H H 1 8.939 0.023 . 1 . . . . 77 ARG H . 16946 1 855 . 1 1 77 77 ARG HA H 1 4.013 0.023 . 1 . . . . 77 ARG HA . 16946 1 856 . 1 1 77 77 ARG HB2 H 1 1.798 0.023 . 2 . . . . 77 ARG HB2 . 16946 1 857 . 1 1 77 77 ARG HB3 H 1 1.698 0.023 . 2 . . . . 77 ARG HB3 . 16946 1 858 . 1 1 77 77 ARG HD2 H 1 3.095 0.023 . 2 . . . . 77 ARG HD2 . 16946 1 859 . 1 1 77 77 ARG HD3 H 1 3.095 0.023 . 2 . . . . 77 ARG HD3 . 16946 1 860 . 1 1 77 77 ARG HG2 H 1 1.618 0.023 . 2 . . . . 77 ARG HG2 . 16946 1 861 . 1 1 77 77 ARG HG3 H 1 1.500 0.023 . 2 . . . . 77 ARG HG3 . 16946 1 862 . 1 1 77 77 ARG C C 13 173.969 0.210 . 1 . . . . 77 ARG C . 16946 1 863 . 1 1 77 77 ARG CA C 13 59.046 0.210 . 1 . . . . 77 ARG CA . 16946 1 864 . 1 1 77 77 ARG CB C 13 29.571 0.210 . 1 . . . . 77 ARG CB . 16946 1 865 . 1 1 77 77 ARG CD C 13 43.197 0.210 . 1 . . . . 77 ARG CD . 16946 1 866 . 1 1 77 77 ARG CG C 13 27.096 0.210 . 1 . . . . 77 ARG CG . 16946 1 867 . 1 1 77 77 ARG N N 15 118.473 0.210 . 1 . . . . 77 ARG N . 16946 1 868 . 1 1 78 78 ALA H H 1 6.621 0.023 . 1 . . . . 78 ALA H . 16946 1 869 . 1 1 78 78 ALA HA H 1 4.158 0.023 . 1 . . . . 78 ALA HA . 16946 1 870 . 1 1 78 78 ALA HB1 H 1 1.370 0.023 . 1 . . . . 78 ALA HB . 16946 1 871 . 1 1 78 78 ALA HB2 H 1 1.370 0.023 . 1 . . . . 78 ALA HB . 16946 1 872 . 1 1 78 78 ALA HB3 H 1 1.370 0.023 . 1 . . . . 78 ALA HB . 16946 1 873 . 1 1 78 78 ALA C C 13 173.069 0.210 . 1 . . . . 78 ALA C . 16946 1 874 . 1 1 78 78 ALA CA C 13 54.496 0.210 . 1 . . . . 78 ALA CA . 16946 1 875 . 1 1 78 78 ALA CB C 13 18.663 0.210 . 1 . . . . 78 ALA CB . 16946 1 876 . 1 1 78 78 ALA N N 15 121.766 0.210 . 1 . . . . 78 ALA N . 16946 1 877 . 1 1 79 79 ALA H H 1 7.800 0.023 . 1 . . . . 79 ALA H . 16946 1 878 . 1 1 79 79 ALA HA H 1 3.747 0.023 . 1 . . . . 79 ALA HA . 16946 1 879 . 1 1 79 79 ALA HB1 H 1 1.284 0.023 . 1 . . . . 79 ALA HB . 16946 1 880 . 1 1 79 79 ALA HB2 H 1 1.284 0.023 . 1 . . . . 79 ALA HB . 16946 1 881 . 1 1 79 79 ALA HB3 H 1 1.284 0.023 . 1 . . . . 79 ALA HB . 16946 1 882 . 1 1 79 79 ALA C C 13 170.904 0.210 . 1 . . . . 79 ALA C . 16946 1 883 . 1 1 79 79 ALA CA C 13 55.072 0.210 . 1 . . . . 79 ALA CA . 16946 1 884 . 1 1 79 79 ALA CB C 13 17.631 0.210 . 1 . . . . 79 ALA CB . 16946 1 885 . 1 1 79 79 ALA N N 15 120.528 0.210 . 1 . . . . 79 ALA N . 16946 1 886 . 1 1 80 80 ALA H H 1 8.301 0.023 . 1 . . . . 80 ALA H . 16946 1 887 . 1 1 80 80 ALA HA H 1 4.144 0.023 . 1 . . . . 80 ALA HA . 16946 1 888 . 1 1 80 80 ALA HB1 H 1 1.427 0.023 . 1 . . . . 80 ALA HB . 16946 1 889 . 1 1 80 80 ALA HB2 H 1 1.427 0.023 . 1 . . . . 80 ALA HB . 16946 1 890 . 1 1 80 80 ALA HB3 H 1 1.427 0.023 . 1 . . . . 80 ALA HB . 16946 1 891 . 1 1 80 80 ALA C C 13 171.972 0.210 . 1 . . . . 80 ALA C . 16946 1 892 . 1 1 80 80 ALA CA C 13 54.775 0.210 . 1 . . . . 80 ALA CA . 16946 1 893 . 1 1 80 80 ALA CB C 13 17.760 0.210 . 1 . . . . 80 ALA CB . 16946 1 894 . 1 1 80 80 ALA N N 15 121.359 0.210 . 1 . . . . 80 ALA N . 16946 1 895 . 1 1 81 81 GLN H H 1 7.712 0.023 . 1 . . . . 81 GLN H . 16946 1 896 . 1 1 81 81 GLN HA H 1 3.949 0.023 . 1 . . . . 81 GLN HA . 16946 1 897 . 1 1 81 81 GLN HB2 H 1 2.403 0.023 . 2 . . . . 81 GLN HB2 . 16946 1 898 . 1 1 81 81 GLN HB3 H 1 2.253 0.023 . 2 . . . . 81 GLN HB3 . 16946 1 899 . 1 1 81 81 GLN HE21 H 1 7.414 0.023 . 2 . . . . 81 GLN HE21 . 16946 1 900 . 1 1 81 81 GLN HE22 H 1 6.780 0.023 . 2 . . . . 81 GLN HE22 . 16946 1 901 . 1 1 81 81 GLN C C 13 172.278 0.210 . 1 . . . . 81 GLN C . 16946 1 902 . 1 1 81 81 GLN CA C 13 59.112 0.210 . 1 . . . . 81 GLN CA . 16946 1 903 . 1 1 81 81 GLN CB C 13 29.446 0.210 . 1 . . . . 81 GLN CB . 16946 1 904 . 1 1 81 81 GLN N N 15 118.259 0.210 . 1 . . . . 81 GLN N . 16946 1 905 . 1 1 81 81 GLN NE2 N 15 112.056 0.210 . 1 . . . . 81 GLN NE2 . 16946 1 906 . 1 1 82 82 ILE H H 1 7.520 0.023 . 1 . . . . 82 ILE H . 16946 1 907 . 1 1 82 82 ILE HA H 1 3.305 0.023 . 1 . . . . 82 ILE HA . 16946 1 908 . 1 1 82 82 ILE HB H 1 1.839 0.023 . 1 . . . . 82 ILE HB . 16946 1 909 . 1 1 82 82 ILE HD11 H 1 0.773 0.023 . 1 . . . . 82 ILE HD1 . 16946 1 910 . 1 1 82 82 ILE HD12 H 1 0.773 0.023 . 1 . . . . 82 ILE HD1 . 16946 1 911 . 1 1 82 82 ILE HD13 H 1 0.773 0.023 . 1 . . . . 82 ILE HD1 . 16946 1 912 . 1 1 82 82 ILE HG12 H 1 1.748 0.023 . 1 . . . . 82 ILE HG12 . 16946 1 913 . 1 1 82 82 ILE HG13 H 1 1.748 0.023 . 1 . . . . 82 ILE HG13 . 16946 1 914 . 1 1 82 82 ILE HG21 H 1 0.652 0.023 . 1 . . . . 82 ILE HG2 . 16946 1 915 . 1 1 82 82 ILE HG22 H 1 0.652 0.023 . 1 . . . . 82 ILE HG2 . 16946 1 916 . 1 1 82 82 ILE HG23 H 1 0.652 0.023 . 1 . . . . 82 ILE HG2 . 16946 1 917 . 1 1 82 82 ILE C C 13 175.894 0.210 . 1 . . . . 82 ILE C . 16946 1 918 . 1 1 82 82 ILE CA C 13 66.281 0.210 . 1 . . . . 82 ILE CA . 16946 1 919 . 1 1 82 82 ILE CB C 13 37.654 0.210 . 1 . . . . 82 ILE CB . 16946 1 920 . 1 1 82 82 ILE CD1 C 13 13.845 0.210 . 1 . . . . 82 ILE CD1 . 16946 1 921 . 1 1 82 82 ILE CG1 C 13 29.882 0.210 . 1 . . . . 82 ILE CG1 . 16946 1 922 . 1 1 82 82 ILE CG2 C 13 16.123 0.210 . 1 . . . . 82 ILE CG2 . 16946 1 923 . 1 1 82 82 ILE N N 15 120.918 0.210 . 1 . . . . 82 ILE N . 16946 1 924 . 1 1 83 83 ALA H H 1 7.343 0.023 . 1 . . . . 83 ALA H . 16946 1 925 . 1 1 83 83 ALA HA H 1 3.710 0.023 . 1 . . . . 83 ALA HA . 16946 1 926 . 1 1 83 83 ALA HB1 H 1 1.371 0.023 . 1 . . . . 83 ALA HB . 16946 1 927 . 1 1 83 83 ALA HB2 H 1 1.371 0.023 . 1 . . . . 83 ALA HB . 16946 1 928 . 1 1 83 83 ALA HB3 H 1 1.371 0.023 . 1 . . . . 83 ALA HB . 16946 1 929 . 1 1 83 83 ALA C C 13 171.169 0.210 . 1 . . . . 83 ALA C . 16946 1 930 . 1 1 83 83 ALA CA C 13 55.350 0.210 . 1 . . . . 83 ALA CA . 16946 1 931 . 1 1 83 83 ALA CB C 13 17.689 0.210 . 1 . . . . 83 ALA CB . 16946 1 932 . 1 1 83 83 ALA N N 15 119.119 0.210 . 1 . . . . 83 ALA N . 16946 1 933 . 1 1 84 84 GLN H H 1 8.322 0.023 . 1 . . . . 84 GLN H . 16946 1 934 . 1 1 84 84 GLN HA H 1 3.825 0.023 . 1 . . . . 84 GLN HA . 16946 1 935 . 1 1 84 84 GLN HB2 H 1 2.030 0.023 . 1 . . . . 84 GLN HB2 . 16946 1 936 . 1 1 84 84 GLN HB3 H 1 1.943 0.023 . 1 . . . . 84 GLN HB3 . 16946 1 937 . 1 1 84 84 GLN HE21 H 1 7.364 0.023 . 1 . . . . 84 GLN HE21 . 16946 1 938 . 1 1 84 84 GLN HE22 H 1 6.747 0.023 . 1 . . . . 84 GLN HE22 . 16946 1 939 . 1 1 84 84 GLN HG2 H 1 2.381 0.023 . 1 . . . . 84 GLN HG2 . 16946 1 940 . 1 1 84 84 GLN HG3 H 1 2.338 0.023 . 1 . . . . 84 GLN HG3 . 16946 1 941 . 1 1 84 84 GLN C C 13 172.600 0.210 . 1 . . . . 84 GLN C . 16946 1 942 . 1 1 84 84 GLN CA C 13 58.122 0.210 . 1 . . . . 84 GLN CA . 16946 1 943 . 1 1 84 84 GLN CB C 13 28.463 0.210 . 1 . . . . 84 GLN CB . 16946 1 944 . 1 1 84 84 GLN CG C 13 33.987 0.210 . 1 . . . . 84 GLN CG . 16946 1 945 . 1 1 84 84 GLN N N 15 115.799 0.210 . 1 . . . . 84 GLN N . 16946 1 946 . 1 1 84 84 GLN NE2 N 15 111.927 0.210 . 1 . . . . 84 GLN NE2 . 16946 1 947 . 1 1 85 85 ALA H H 1 7.741 0.023 . 1 . . . . 85 ALA H . 16946 1 948 . 1 1 85 85 ALA HA H 1 3.989 0.023 . 1 . . . . 85 ALA HA . 16946 1 949 . 1 1 85 85 ALA HB1 H 1 1.332 0.023 . 1 . . . . 85 ALA HB . 16946 1 950 . 1 1 85 85 ALA HB2 H 1 1.332 0.023 . 1 . . . . 85 ALA HB . 16946 1 951 . 1 1 85 85 ALA HB3 H 1 1.332 0.023 . 1 . . . . 85 ALA HB . 16946 1 952 . 1 1 85 85 ALA C C 13 172.208 0.210 . 1 . . . . 85 ALA C . 16946 1 953 . 1 1 85 85 ALA CA C 13 54.345 0.210 . 1 . . . . 85 ALA CA . 16946 1 954 . 1 1 85 85 ALA CB C 13 17.895 0.210 . 1 . . . . 85 ALA CB . 16946 1 955 . 1 1 85 85 ALA N N 15 123.654 0.210 . 1 . . . . 85 ALA N . 16946 1 956 . 1 1 86 86 LEU H H 1 6.912 0.023 . 1 . . . . 86 LEU H . 16946 1 957 . 1 1 86 86 LEU HA H 1 3.354 0.023 . 1 . . . . 86 LEU HA . 16946 1 958 . 1 1 86 86 LEU HB2 H 1 1.253 0.023 . 2 . . . . 86 LEU HB2 . 16946 1 959 . 1 1 86 86 LEU HB3 H 1 1.253 0.023 . 2 . . . . 86 LEU HB3 . 16946 1 960 . 1 1 86 86 LEU HD11 H 1 1.522 0.023 . 1 . . . . 86 LEU HD1 . 16946 1 961 . 1 1 86 86 LEU HD12 H 1 1.522 0.023 . 1 . . . . 86 LEU HD1 . 16946 1 962 . 1 1 86 86 LEU HD13 H 1 1.522 0.023 . 1 . . . . 86 LEU HD1 . 16946 1 963 . 1 1 86 86 LEU HD21 H 1 -0.321 0.023 . 1 . . . . 86 LEU HD2 . 16946 1 964 . 1 1 86 86 LEU HD22 H 1 -0.321 0.023 . 1 . . . . 86 LEU HD2 . 16946 1 965 . 1 1 86 86 LEU HD23 H 1 -0.321 0.023 . 1 . . . . 86 LEU HD2 . 16946 1 966 . 1 1 86 86 LEU HG H 1 0.514 0.023 . 1 . . . . 86 LEU HG . 16946 1 967 . 1 1 86 86 LEU C C 13 175.372 0.210 . 1 . . . . 86 LEU C . 16946 1 968 . 1 1 86 86 LEU CA C 13 55.252 0.210 . 1 . . . . 86 LEU CA . 16946 1 969 . 1 1 86 86 LEU CB C 13 40.043 0.210 . 1 . . . . 86 LEU CB . 16946 1 970 . 1 1 86 86 LEU CD1 C 13 25.518 0.210 . 1 . . . . 86 LEU CD1 . 16946 1 971 . 1 1 86 86 LEU CD2 C 13 21.072 0.210 . 1 . . . . 86 LEU CD2 . 16946 1 972 . 1 1 86 86 LEU CG C 13 27.361 0.210 . 1 . . . . 86 LEU CG . 16946 1 973 . 1 1 86 86 LEU N N 15 114.490 0.210 . 1 . . . . 86 LEU N . 16946 1 974 . 1 1 87 87 LEU H H 1 7.199 0.023 . 1 . . . . 87 LEU H . 16946 1 975 . 1 1 87 87 LEU HA H 1 4.420 0.023 . 1 . . . . 87 LEU HA . 16946 1 976 . 1 1 87 87 LEU HB2 H 1 1.724 0.023 . 2 . . . . 87 LEU HB2 . 16946 1 977 . 1 1 87 87 LEU HB3 H 1 1.637 0.023 . 2 . . . . 87 LEU HB3 . 16946 1 978 . 1 1 87 87 LEU HD11 H 1 0.810 0.023 . 2 . . . . 87 LEU HD1 . 16946 1 979 . 1 1 87 87 LEU HD12 H 1 0.810 0.023 . 2 . . . . 87 LEU HD1 . 16946 1 980 . 1 1 87 87 LEU HD13 H 1 0.810 0.023 . 2 . . . . 87 LEU HD1 . 16946 1 981 . 1 1 87 87 LEU HD21 H 1 0.765 0.023 . 2 . . . . 87 LEU HD2 . 16946 1 982 . 1 1 87 87 LEU HD22 H 1 0.765 0.023 . 2 . . . . 87 LEU HD2 . 16946 1 983 . 1 1 87 87 LEU HD23 H 1 0.765 0.023 . 2 . . . . 87 LEU HD2 . 16946 1 984 . 1 1 87 87 LEU HG H 1 1.629 0.023 . 1 . . . . 87 LEU HG . 16946 1 985 . 1 1 87 87 LEU C C 13 174.078 0.210 . 1 . . . . 87 LEU C . 16946 1 986 . 1 1 87 87 LEU CA C 13 54.267 0.210 . 1 . . . . 87 LEU CA . 16946 1 987 . 1 1 87 87 LEU CB C 13 42.175 0.210 . 1 . . . . 87 LEU CB . 16946 1 988 . 1 1 87 87 LEU CD1 C 13 25.474 0.210 . 1 . . . . 87 LEU CD1 . 16946 1 989 . 1 1 87 87 LEU CD2 C 13 22.493 0.210 . 1 . . . . 87 LEU CD2 . 16946 1 990 . 1 1 87 87 LEU CG C 13 26.586 0.210 . 1 . . . . 87 LEU CG . 16946 1 991 . 1 1 87 87 LEU N N 15 116.838 0.210 . 1 . . . . 87 LEU N . 16946 1 992 . 1 1 88 88 GLY H H 1 7.450 0.023 . 1 . . . . 88 GLY H . 16946 1 993 . 1 1 88 88 GLY HA2 H 1 4.554 0.023 . 2 . . . . 88 GLY HA2 . 16946 1 994 . 1 1 88 88 GLY HA3 H 1 3.732 0.023 . 2 . . . . 88 GLY HA3 . 16946 1 995 . 1 1 88 88 GLY C C 13 179.140 0.210 . 1 . . . . 88 GLY C . 16946 1 996 . 1 1 88 88 GLY CA C 13 44.375 0.210 . 1 . . . . 88 GLY CA . 16946 1 997 . 1 1 88 88 GLY N N 15 107.593 0.210 . 1 . . . . 88 GLY N . 16946 1 998 . 1 1 89 89 ALA H H 1 8.298 0.023 . 1 . . . . 89 ALA H . 16946 1 999 . 1 1 89 89 ALA HA H 1 4.512 0.023 . 1 . . . . 89 ALA HA . 16946 1 1000 . 1 1 89 89 ALA HB1 H 1 1.233 0.023 . 1 . . . . 89 ALA HB . 16946 1 1001 . 1 1 89 89 ALA HB2 H 1 1.233 0.023 . 1 . . . . 89 ALA HB . 16946 1 1002 . 1 1 89 89 ALA HB3 H 1 1.233 0.023 . 1 . . . . 89 ALA HB . 16946 1 1003 . 1 1 89 89 ALA C C 13 175.969 0.210 . 1 . . . . 89 ALA C . 16946 1 1004 . 1 1 89 89 ALA CA C 13 50.616 0.210 . 1 . . . . 89 ALA CA . 16946 1 1005 . 1 1 89 89 ALA CB C 13 19.979 0.210 . 1 . . . . 89 ALA CB . 16946 1 1006 . 1 1 89 89 ALA N N 15 119.326 0.210 . 1 . . . . 89 ALA N . 16946 1 1007 . 1 1 90 90 GLU H H 1 7.884 0.023 . 1 . . . . 90 GLU H . 16946 1 1008 . 1 1 90 90 GLU HA H 1 4.675 0.023 . 1 . . . . 90 GLU HA . 16946 1 1009 . 1 1 90 90 GLU HB2 H 1 1.995 0.023 . 2 . . . . 90 GLU HB2 . 16946 1 1010 . 1 1 90 90 GLU HB3 H 1 1.730 0.023 . 2 . . . . 90 GLU HB3 . 16946 1 1011 . 1 1 90 90 GLU HG2 H 1 2.177 0.023 . 2 . . . . 90 GLU HG2 . 16946 1 1012 . 1 1 90 90 GLU HG3 H 1 2.177 0.023 . 2 . . . . 90 GLU HG3 . 16946 1 1013 . 1 1 90 90 GLU C C 13 176.915 0.210 . 1 . . . . 90 GLU C . 16946 1 1014 . 1 1 90 90 GLU CA C 13 54.410 0.210 . 1 . . . . 90 GLU CA . 16946 1 1015 . 1 1 90 90 GLU CB C 13 33.492 0.210 . 1 . . . . 90 GLU CB . 16946 1 1016 . 1 1 90 90 GLU CG C 13 35.751 0.210 . 1 . . . . 90 GLU CG . 16946 1 1017 . 1 1 90 90 GLU N N 15 117.538 0.210 . 1 . . . . 90 GLU N . 16946 1 1018 . 1 1 91 91 GLU H H 1 8.704 0.023 . 1 . . . . 91 GLU H . 16946 1 1019 . 1 1 91 91 GLU HA H 1 5.104 0.023 . 1 . . . . 91 GLU HA . 16946 1 1020 . 1 1 91 91 GLU HB2 H 1 1.973 0.023 . 1 . . . . 91 GLU HB2 . 16946 1 1021 . 1 1 91 91 GLU HB3 H 1 1.731 0.023 . 1 . . . . 91 GLU HB3 . 16946 1 1022 . 1 1 91 91 GLU HG2 H 1 2.582 0.023 . 2 . . . . 91 GLU HG2 . 16946 1 1023 . 1 1 91 91 GLU HG3 H 1 2.154 0.023 . 2 . . . . 91 GLU HG3 . 16946 1 1024 . 1 1 91 91 GLU C C 13 175.565 0.210 . 1 . . . . 91 GLU C . 16946 1 1025 . 1 1 91 91 GLU CA C 13 55.713 0.210 . 1 . . . . 91 GLU CA . 16946 1 1026 . 1 1 91 91 GLU CB C 13 28.797 0.210 . 1 . . . . 91 GLU CB . 16946 1 1027 . 1 1 91 91 GLU CG C 13 34.239 0.210 . 1 . . . . 91 GLU CG . 16946 1 1028 . 1 1 91 91 GLU N N 15 123.681 0.210 . 1 . . . . 91 GLU N . 16946 1 1029 . 1 1 92 92 ARG H H 1 8.349 0.023 . 1 . . . . 92 ARG H . 16946 1 1030 . 1 1 92 92 ARG HA H 1 4.623 0.023 . 1 . . . . 92 ARG HA . 16946 1 1031 . 1 1 92 92 ARG HB2 H 1 1.560 0.023 . 2 . . . . 92 ARG HB2 . 16946 1 1032 . 1 1 92 92 ARG HB3 H 1 1.486 0.023 . 2 . . . . 92 ARG HB3 . 16946 1 1033 . 1 1 92 92 ARG HD2 H 1 3.293 0.023 . 2 . . . . 92 ARG HD2 . 16946 1 1034 . 1 1 92 92 ARG HD3 H 1 3.043 0.023 . 2 . . . . 92 ARG HD3 . 16946 1 1035 . 1 1 92 92 ARG HE H 1 7.185 0.023 . 1 . . . . 92 ARG HE . 16946 1 1036 . 1 1 92 92 ARG HG2 H 1 1.548 0.023 . 2 . . . . 92 ARG HG2 . 16946 1 1037 . 1 1 92 92 ARG HG3 H 1 1.548 0.023 . 2 . . . . 92 ARG HG3 . 16946 1 1038 . 1 1 92 92 ARG C C 13 178.654 0.210 . 1 . . . . 92 ARG C . 16946 1 1039 . 1 1 92 92 ARG CA C 13 53.978 0.210 . 1 . . . . 92 ARG CA . 16946 1 1040 . 1 1 92 92 ARG CB C 13 35.007 0.210 . 1 . . . . 92 ARG CB . 16946 1 1041 . 1 1 92 92 ARG CD C 13 42.934 0.210 . 1 . . . . 92 ARG CD . 16946 1 1042 . 1 1 92 92 ARG CG C 13 26.515 0.210 . 1 . . . . 92 ARG CG . 16946 1 1043 . 1 1 92 92 ARG N N 15 125.719 0.210 . 1 . . . . 92 ARG N . 16946 1 1044 . 1 1 92 92 ARG NE N 15 84.802 0.210 . 1 . . . . 92 ARG NE . 16946 1 1045 . 1 1 93 93 LYS H H 1 8.333 0.023 . 1 . . . . 93 LYS H . 16946 1 1046 . 1 1 93 93 LYS HA H 1 5.588 0.023 . 1 . . . . 93 LYS HA . 16946 1 1047 . 1 1 93 93 LYS HB2 H 1 1.570 0.023 . 1 . . . . 93 LYS HB2 . 16946 1 1048 . 1 1 93 93 LYS HB3 H 1 1.496 0.023 . 1 . . . . 93 LYS HB3 . 16946 1 1049 . 1 1 93 93 LYS HD2 H 1 1.504 0.023 . 1 . . . . 93 LYS HD2 . 16946 1 1050 . 1 1 93 93 LYS HD3 H 1 1.504 0.023 . 1 . . . . 93 LYS HD3 . 16946 1 1051 . 1 1 93 93 LYS HE2 H 1 2.725 0.023 . 2 . . . . 93 LYS HE2 . 16946 1 1052 . 1 1 93 93 LYS HE3 H 1 2.725 0.023 . 2 . . . . 93 LYS HE3 . 16946 1 1053 . 1 1 93 93 LYS HG2 H 1 1.300 0.023 . 1 . . . . 93 LYS HG2 . 16946 1 1054 . 1 1 93 93 LYS HG3 H 1 1.178 0.023 . 1 . . . . 93 LYS HG3 . 16946 1 1055 . 1 1 93 93 LYS C C 13 175.585 0.210 . 1 . . . . 93 LYS C . 16946 1 1056 . 1 1 93 93 LYS CA C 13 54.823 0.210 . 1 . . . . 93 LYS CA . 16946 1 1057 . 1 1 93 93 LYS CB C 13 34.956 0.210 . 1 . . . . 93 LYS CB . 16946 1 1058 . 1 1 93 93 LYS CD C 13 29.598 0.210 . 1 . . . . 93 LYS CD . 16946 1 1059 . 1 1 93 93 LYS CE C 13 41.957 0.210 . 1 . . . . 93 LYS CE . 16946 1 1060 . 1 1 93 93 LYS CG C 13 25.619 0.210 . 1 . . . . 93 LYS CG . 16946 1 1061 . 1 1 93 93 LYS N N 15 121.609 0.210 . 1 . . . . 93 LYS N . 16946 1 1062 . 1 1 94 94 VAL H H 1 9.009 0.023 . 1 . . . . 94 VAL H . 16946 1 1063 . 1 1 94 94 VAL HA H 1 4.125 0.023 . 1 . . . . 94 VAL HA . 16946 1 1064 . 1 1 94 94 VAL HB H 1 1.538 0.023 . 1 . . . . 94 VAL HB . 16946 1 1065 . 1 1 94 94 VAL HG11 H 1 0.818 0.023 . 2 . . . . 94 VAL HG1 . 16946 1 1066 . 1 1 94 94 VAL HG12 H 1 0.818 0.023 . 2 . . . . 94 VAL HG1 . 16946 1 1067 . 1 1 94 94 VAL HG13 H 1 0.818 0.023 . 2 . . . . 94 VAL HG1 . 16946 1 1068 . 1 1 94 94 VAL HG21 H 1 0.593 0.023 . 2 . . . . 94 VAL HG2 . 16946 1 1069 . 1 1 94 94 VAL HG22 H 1 0.593 0.023 . 2 . . . . 94 VAL HG2 . 16946 1 1070 . 1 1 94 94 VAL HG23 H 1 0.593 0.023 . 2 . . . . 94 VAL HG2 . 16946 1 1071 . 1 1 94 94 VAL C C 13 178.338 0.210 . 1 . . . . 94 VAL C . 16946 1 1072 . 1 1 94 94 VAL CA C 13 61.303 0.210 . 1 . . . . 94 VAL CA . 16946 1 1073 . 1 1 94 94 VAL CB C 13 36.856 0.210 . 1 . . . . 94 VAL CB . 16946 1 1074 . 1 1 94 94 VAL CG1 C 13 20.827 0.210 . 1 . . . . 94 VAL CG1 . 16946 1 1075 . 1 1 94 94 VAL CG2 C 13 20.615 0.210 . 1 . . . . 94 VAL CG2 . 16946 1 1076 . 1 1 94 94 VAL N N 15 124.617 0.210 . 1 . . . . 94 VAL N . 16946 1 1077 . 1 1 95 95 GLU H H 1 8.272 0.023 . 1 . . . . 95 GLU H . 16946 1 1078 . 1 1 95 95 GLU HA H 1 5.200 0.023 . 1 . . . . 95 GLU HA . 16946 1 1079 . 1 1 95 95 GLU HB2 H 1 1.758 0.023 . 2 . . . . 95 GLU HB2 . 16946 1 1080 . 1 1 95 95 GLU HB3 H 1 1.758 0.023 . 2 . . . . 95 GLU HB3 . 16946 1 1081 . 1 1 95 95 GLU HG2 H 1 1.980 0.023 . 2 . . . . 95 GLU HG2 . 16946 1 1082 . 1 1 95 95 GLU HG3 H 1 1.861 0.023 . 2 . . . . 95 GLU HG3 . 16946 1 1083 . 1 1 95 95 GLU C C 13 176.798 0.210 . 1 . . . . 95 GLU C . 16946 1 1084 . 1 1 95 95 GLU CA C 13 55.026 0.210 . 1 . . . . 95 GLU CA . 16946 1 1085 . 1 1 95 95 GLU CB C 13 31.043 0.210 . 1 . . . . 95 GLU CB . 16946 1 1086 . 1 1 95 95 GLU CG C 13 36.509 0.210 . 1 . . . . 95 GLU CG . 16946 1 1087 . 1 1 95 95 GLU N N 15 128.329 0.210 . 1 . . . . 95 GLU N . 16946 1 1088 . 1 1 96 96 ILE H H 1 9.324 0.023 . 1 . . . . 96 ILE H . 16946 1 1089 . 1 1 96 96 ILE HA H 1 4.128 0.023 . 1 . . . . 96 ILE HA . 16946 1 1090 . 1 1 96 96 ILE HB H 1 1.083 0.023 . 1 . . . . 96 ILE HB . 16946 1 1091 . 1 1 96 96 ILE HD11 H 1 -0.313 0.023 . 1 . . . . 96 ILE HD1 . 16946 1 1092 . 1 1 96 96 ILE HD12 H 1 -0.313 0.023 . 1 . . . . 96 ILE HD1 . 16946 1 1093 . 1 1 96 96 ILE HD13 H 1 -0.313 0.023 . 1 . . . . 96 ILE HD1 . 16946 1 1094 . 1 1 96 96 ILE HG21 H 1 0.359 0.023 . 1 . . . . 96 ILE HG2 . 16946 1 1095 . 1 1 96 96 ILE HG22 H 1 0.359 0.023 . 1 . . . . 96 ILE HG2 . 16946 1 1096 . 1 1 96 96 ILE HG23 H 1 0.359 0.023 . 1 . . . . 96 ILE HG2 . 16946 1 1097 . 1 1 96 96 ILE C C 13 181.775 0.210 . 1 . . . . 96 ILE C . 16946 1 1098 . 1 1 96 96 ILE CA C 13 60.264 0.210 . 1 . . . . 96 ILE CA . 16946 1 1099 . 1 1 96 96 ILE CB C 13 42.883 0.210 . 1 . . . . 96 ILE CB . 16946 1 1100 . 1 1 96 96 ILE CD1 C 13 14.421 0.210 . 1 . . . . 96 ILE CD1 . 16946 1 1101 . 1 1 96 96 ILE CG1 C 13 28.441 0.210 . 1 . . . . 96 ILE CG1 . 16946 1 1102 . 1 1 96 96 ILE CG2 C 13 14.777 0.210 . 1 . . . . 96 ILE CG2 . 16946 1 1103 . 1 1 96 96 ILE N N 15 127.533 0.210 . 1 . . . . 96 ILE N . 16946 1 1104 . 1 1 97 97 ALA H H 1 8.015 0.023 . 1 . . . . 97 ALA H . 16946 1 1105 . 1 1 97 97 ALA HA H 1 4.591 0.023 . 1 . . . . 97 ALA HA . 16946 1 1106 . 1 1 97 97 ALA HB1 H 1 0.766 0.023 . 1 . . . . 97 ALA HB . 16946 1 1107 . 1 1 97 97 ALA HB2 H 1 0.766 0.023 . 1 . . . . 97 ALA HB . 16946 1 1108 . 1 1 97 97 ALA HB3 H 1 0.766 0.023 . 1 . . . . 97 ALA HB . 16946 1 1109 . 1 1 97 97 ALA C C 13 177.356 0.210 . 1 . . . . 97 ALA C . 16946 1 1110 . 1 1 97 97 ALA CA C 13 50.737 0.210 . 1 . . . . 97 ALA CA . 16946 1 1111 . 1 1 97 97 ALA CB C 13 18.832 0.210 . 1 . . . . 97 ALA CB . 16946 1 1112 . 1 1 97 97 ALA N N 15 128.530 0.210 . 1 . . . . 97 ALA N . 16946 1 1113 . 1 1 98 98 PHE H H 1 8.257 0.023 . 1 . . . . 98 PHE H . 16946 1 1114 . 1 1 98 98 PHE HA H 1 5.347 0.023 . 1 . . . . 98 PHE HA . 16946 1 1115 . 1 1 98 98 PHE HB2 H 1 2.734 0.023 . 2 . . . . 98 PHE HB2 . 16946 1 1116 . 1 1 98 98 PHE HB3 H 1 1.682 0.023 . 2 . . . . 98 PHE HB3 . 16946 1 1117 . 1 1 98 98 PHE HD1 H 1 7.056 0.023 . 1 . . . . 98 PHE HD1 . 16946 1 1118 . 1 1 98 98 PHE HD2 H 1 7.056 0.023 . 1 . . . . 98 PHE HD2 . 16946 1 1119 . 1 1 98 98 PHE HE1 H 1 7.056 0.023 . 1 . . . . 98 PHE HE1 . 16946 1 1120 . 1 1 98 98 PHE HE2 H 1 7.056 0.023 . 1 . . . . 98 PHE HE2 . 16946 1 1121 . 1 1 98 98 PHE HZ H 1 7.056 0.023 . 1 . . . . 98 PHE HZ . 16946 1 1122 . 1 1 98 98 PHE C C 13 178.649 0.210 . 1 . . . . 98 PHE C . 16946 1 1123 . 1 1 98 98 PHE CA C 13 51.362 0.210 . 1 . . . . 98 PHE CA . 16946 1 1124 . 1 1 98 98 PHE CB C 13 45.274 0.210 . 1 . . . . 98 PHE CB . 16946 1 1125 . 1 1 98 98 PHE N N 15 124.137 0.210 . 1 . . . . 98 PHE N . 16946 1 1126 . 1 1 99 99 TYR H H 1 9.195 0.023 . 1 . . . . 99 TYR H . 16946 1 1127 . 1 1 99 99 TYR HA H 1 5.250 0.023 . 1 . . . . 99 TYR HA . 16946 1 1128 . 1 1 99 99 TYR HB2 H 1 2.641 0.023 . 2 . . . . 99 TYR HB2 . 16946 1 1129 . 1 1 99 99 TYR HB3 H 1 2.524 0.023 . 2 . . . . 99 TYR HB3 . 16946 1 1130 . 1 1 99 99 TYR HD1 H 1 7.100 0.023 . 1 . . . . 99 TYR HD1 . 16946 1 1131 . 1 1 99 99 TYR HD2 H 1 7.100 0.023 . 1 . . . . 99 TYR HD2 . 16946 1 1132 . 1 1 99 99 TYR HE1 H 1 7.100 0.023 . 1 . . . . 99 TYR HE1 . 16946 1 1133 . 1 1 99 99 TYR HE2 H 1 7.100 0.023 . 1 . . . . 99 TYR HE2 . 16946 1 1134 . 1 1 99 99 TYR C C 13 174.549 0.210 . 1 . . . . 99 TYR C . 16946 1 1135 . 1 1 99 99 TYR CA C 13 56.571 0.210 . 1 . . . . 99 TYR CA . 16946 1 1136 . 1 1 99 99 TYR CB C 13 40.634 0.210 . 1 . . . . 99 TYR CB . 16946 1 1137 . 1 1 99 99 TYR N N 15 117.178 0.210 . 1 . . . . 99 TYR N . 16946 1 1138 . 1 1 100 100 ARG H H 1 8.945 0.023 . 1 . . . . 100 ARG H . 16946 1 1139 . 1 1 100 100 ARG HE H 1 6.489 0.023 . 1 . . . . 100 ARG HE . 16946 1 1140 . 1 1 100 100 ARG C C 13 173.785 0.210 . 1 . . . . 100 ARG C . 16946 1 1141 . 1 1 100 100 ARG CA C 13 55.617 0.210 . 1 . . . . 100 ARG CA . 16946 1 1142 . 1 1 100 100 ARG CB C 13 31.170 0.210 . 1 . . . . 100 ARG CB . 16946 1 1143 . 1 1 100 100 ARG N N 15 120.043 0.210 . 1 . . . . 100 ARG N . 16946 1 1144 . 1 1 100 100 ARG NE N 15 86.028 0.210 . 1 . . . . 100 ARG NE . 16946 1 1145 . 1 1 101 101 LYS H H 1 8.136 0.023 . 1 . . . . 101 LYS H . 16946 1 1146 . 1 1 101 101 LYS HA H 1 3.745 0.023 . 1 . . . . 101 LYS HA . 16946 1 1147 . 1 1 101 101 LYS HB2 H 1 1.272 0.023 . 2 . . . . 101 LYS HB2 . 16946 1 1148 . 1 1 101 101 LYS HB3 H 1 0.291 0.023 . 2 . . . . 101 LYS HB3 . 16946 1 1149 . 1 1 101 101 LYS HD2 H 1 1.252 0.023 . 2 . . . . 101 LYS HD2 . 16946 1 1150 . 1 1 101 101 LYS HD3 H 1 1.009 0.023 . 2 . . . . 101 LYS HD3 . 16946 1 1151 . 1 1 101 101 LYS HE2 H 1 2.564 0.023 . 2 . . . . 101 LYS HE2 . 16946 1 1152 . 1 1 101 101 LYS HE3 H 1 2.528 0.023 . 2 . . . . 101 LYS HE3 . 16946 1 1153 . 1 1 101 101 LYS C C 13 174.568 0.210 . 1 . . . . 101 LYS C . 16946 1 1154 . 1 1 101 101 LYS CA C 13 59.642 0.210 . 1 . . . . 101 LYS CA . 16946 1 1155 . 1 1 101 101 LYS CB C 13 31.785 0.210 . 1 . . . . 101 LYS CB . 16946 1 1156 . 1 1 101 101 LYS CD C 13 29.387 0.210 . 1 . . . . 101 LYS CD . 16946 1 1157 . 1 1 101 101 LYS CE C 13 41.764 0.210 . 1 . . . . 101 LYS CE . 16946 1 1158 . 1 1 101 101 LYS CG C 13 25.199 0.210 . 1 . . . . 101 LYS CG . 16946 1 1159 . 1 1 101 101 LYS N N 15 124.075 0.210 . 1 . . . . 101 LYS N . 16946 1 1160 . 1 1 102 102 ASP H H 1 7.862 0.023 . 1 . . . . 102 ASP H . 16946 1 1161 . 1 1 102 102 ASP HA H 1 4.248 0.023 . 1 . . . . 102 ASP HA . 16946 1 1162 . 1 1 102 102 ASP HB2 H 1 3.011 0.023 . 2 . . . . 102 ASP HB2 . 16946 1 1163 . 1 1 102 102 ASP HB3 H 1 2.523 0.023 . 2 . . . . 102 ASP HB3 . 16946 1 1164 . 1 1 102 102 ASP C C 13 174.758 0.210 . 1 . . . . 102 ASP C . 16946 1 1165 . 1 1 102 102 ASP CA C 13 53.769 0.210 . 1 . . . . 102 ASP CA . 16946 1 1166 . 1 1 102 102 ASP CB C 13 39.547 0.210 . 1 . . . . 102 ASP CB . 16946 1 1167 . 1 1 102 102 ASP N N 15 113.653 0.210 . 1 . . . . 102 ASP N . 16946 1 1168 . 1 1 103 103 GLY H H 1 8.284 0.023 . 1 . . . . 103 GLY H . 16946 1 1169 . 1 1 103 103 GLY HA2 H 1 4.376 0.023 . 2 . . . . 103 GLY HA2 . 16946 1 1170 . 1 1 103 103 GLY HA3 H 1 3.817 0.023 . 2 . . . . 103 GLY HA3 . 16946 1 1171 . 1 1 103 103 GLY C C 13 177.357 0.210 . 1 . . . . 103 GLY C . 16946 1 1172 . 1 1 103 103 GLY CA C 13 45.097 0.210 . 1 . . . . 103 GLY CA . 16946 1 1173 . 1 1 103 103 GLY N N 15 109.323 0.210 . 1 . . . . 103 GLY N . 16946 1 1174 . 1 1 104 104 SER H H 1 8.460 0.023 . 1 . . . . 104 SER H . 16946 1 1175 . 1 1 104 104 SER HA H 1 4.211 0.023 . 1 . . . . 104 SER HA . 16946 1 1176 . 1 1 104 104 SER HB2 H 1 3.764 0.023 . 2 . . . . 104 SER HB2 . 16946 1 1177 . 1 1 104 104 SER HB3 H 1 3.764 0.023 . 2 . . . . 104 SER HB3 . 16946 1 1178 . 1 1 104 104 SER C C 13 179.716 0.210 . 1 . . . . 104 SER C . 16946 1 1179 . 1 1 104 104 SER CA C 13 58.629 0.210 . 1 . . . . 104 SER CA . 16946 1 1180 . 1 1 104 104 SER CB C 13 63.774 0.210 . 1 . . . . 104 SER CB . 16946 1 1181 . 1 1 104 104 SER N N 15 117.549 0.210 . 1 . . . . 104 SER N . 16946 1 1182 . 1 1 105 105 CYS H H 1 8.445 0.023 . 1 . . . . 105 CYS H . 16946 1 1183 . 1 1 105 105 CYS HA H 1 4.772 0.023 . 1 . . . . 105 CYS HA . 16946 1 1184 . 1 1 105 105 CYS HB2 H 1 2.212 0.023 . 2 . . . . 105 CYS HB2 . 16946 1 1185 . 1 1 105 105 CYS HB3 H 1 2.212 0.023 . 2 . . . . 105 CYS HB3 . 16946 1 1186 . 1 1 105 105 CYS C C 13 177.729 0.210 . 1 . . . . 105 CYS C . 16946 1 1187 . 1 1 105 105 CYS CA C 13 56.446 0.210 . 1 . . . . 105 CYS CA . 16946 1 1188 . 1 1 105 105 CYS CB C 13 29.462 0.210 . 1 . . . . 105 CYS CB . 16946 1 1189 . 1 1 105 105 CYS N N 15 121.405 0.210 . 1 . . . . 105 CYS N . 16946 1 1190 . 1 1 106 106 PHE H H 1 9.268 0.023 . 1 . . . . 106 PHE H . 16946 1 1191 . 1 1 106 106 PHE HA H 1 4.910 0.023 . 1 . . . . 106 PHE HA . 16946 1 1192 . 1 1 106 106 PHE HB2 H 1 2.894 0.023 . 2 . . . . 106 PHE HB2 . 16946 1 1193 . 1 1 106 106 PHE HB3 H 1 2.894 0.023 . 2 . . . . 106 PHE HB3 . 16946 1 1194 . 1 1 106 106 PHE HD1 H 1 6.928 0.023 . 1 . . . . 106 PHE HD1 . 16946 1 1195 . 1 1 106 106 PHE HD2 H 1 6.928 0.023 . 1 . . . . 106 PHE HD2 . 16946 1 1196 . 1 1 106 106 PHE HE1 H 1 6.928 0.023 . 1 . . . . 106 PHE HE1 . 16946 1 1197 . 1 1 106 106 PHE HE2 H 1 6.928 0.023 . 1 . . . . 106 PHE HE2 . 16946 1 1198 . 1 1 106 106 PHE HZ H 1 6.928 0.023 . 1 . . . . 106 PHE HZ . 16946 1 1199 . 1 1 106 106 PHE C C 13 180.511 0.210 . 1 . . . . 106 PHE C . 16946 1 1200 . 1 1 106 106 PHE CA C 13 55.014 0.210 . 1 . . . . 106 PHE CA . 16946 1 1201 . 1 1 106 106 PHE CB C 13 41.442 0.210 . 1 . . . . 106 PHE CB . 16946 1 1202 . 1 1 106 106 PHE N N 15 127.819 0.210 . 1 . . . . 106 PHE N . 16946 1 1203 . 1 1 107 107 LEU H H 1 8.741 0.023 . 1 . . . . 107 LEU H . 16946 1 1204 . 1 1 107 107 LEU HA H 1 4.381 0.023 . 1 . . . . 107 LEU HA . 16946 1 1205 . 1 1 107 107 LEU HB2 H 1 1.607 0.023 . 2 . . . . 107 LEU HB2 . 16946 1 1206 . 1 1 107 107 LEU HB3 H 1 1.301 0.023 . 2 . . . . 107 LEU HB3 . 16946 1 1207 . 1 1 107 107 LEU HD11 H 1 0.623 0.023 . 2 . . . . 107 LEU HD1 . 16946 1 1208 . 1 1 107 107 LEU HD12 H 1 0.623 0.023 . 2 . . . . 107 LEU HD1 . 16946 1 1209 . 1 1 107 107 LEU HD13 H 1 0.623 0.023 . 2 . . . . 107 LEU HD1 . 16946 1 1210 . 1 1 107 107 LEU HD21 H 1 0.583 0.023 . 2 . . . . 107 LEU HD2 . 16946 1 1211 . 1 1 107 107 LEU HD22 H 1 0.583 0.023 . 2 . . . . 107 LEU HD2 . 16946 1 1212 . 1 1 107 107 LEU HD23 H 1 0.583 0.023 . 2 . . . . 107 LEU HD2 . 16946 1 1213 . 1 1 107 107 LEU HG H 1 1.270 0.023 . 1 . . . . 107 LEU HG . 16946 1 1214 . 1 1 107 107 LEU CA C 13 54.016 0.210 . 1 . . . . 107 LEU CA . 16946 1 1215 . 1 1 107 107 LEU CB C 13 42.657 0.210 . 1 . . . . 107 LEU CB . 16946 1 1216 . 1 1 107 107 LEU CD1 C 13 24.600 0.210 . 1 . . . . 107 LEU CD1 . 16946 1 1217 . 1 1 107 107 LEU CD2 C 13 23.246 0.210 . 1 . . . . 107 LEU CD2 . 16946 1 1218 . 1 1 107 107 LEU CG C 13 27.115 0.210 . 1 . . . . 107 LEU CG . 16946 1 1219 . 1 1 107 107 LEU N N 15 123.879 0.210 . 1 . . . . 107 LEU N . 16946 1 1220 . 1 1 108 108 CYS HB2 H 1 2.680 0.023 . 2 . . . . 108 CYS HB2 . 16946 1 1221 . 1 1 108 108 CYS HB3 H 1 2.821 0.023 . 2 . . . . 108 CYS HB3 . 16946 1 1222 . 1 1 108 108 CYS CB C 13 32.072 0.210 . 1 . . . . 108 CYS CB . 16946 1 1223 . 1 1 109 109 LEU HA H 1 4.385 0.023 . 1 . . . . 109 LEU HA . 16946 1 1224 . 1 1 109 109 LEU HB2 H 1 1.610 0.023 . 2 . . . . 109 LEU HB2 . 16946 1 1225 . 1 1 109 109 LEU HB3 H 1 1.302 0.023 . 2 . . . . 109 LEU HB3 . 16946 1 1226 . 1 1 109 109 LEU C C 13 176.324 0.210 . 1 . . . . 109 LEU C . 16946 1 1227 . 1 1 109 109 LEU CA C 13 54.053 0.210 . 1 . . . . 109 LEU CA . 16946 1 1228 . 1 1 109 109 LEU CB C 13 42.742 0.210 . 1 . . . . 109 LEU CB . 16946 1 1229 . 1 1 110 110 VAL H H 1 9.030 0.023 . 1 . . . . 110 VAL H . 16946 1 1230 . 1 1 110 110 VAL HA H 1 5.397 0.023 . 1 . . . . 110 VAL HA . 16946 1 1231 . 1 1 110 110 VAL C C 13 180.185 0.210 . 1 . . . . 110 VAL C . 16946 1 1232 . 1 1 110 110 VAL CA C 13 56.638 0.210 . 1 . . . . 110 VAL CA . 16946 1 1233 . 1 1 110 110 VAL CB C 13 31.974 0.210 . 1 . . . . 110 VAL CB . 16946 1 1234 . 1 1 110 110 VAL N N 15 125.645 0.210 . 1 . . . . 110 VAL N . 16946 1 1235 . 1 1 111 111 ASP H H 1 9.299 0.023 . 1 . . . . 111 ASP H . 16946 1 1236 . 1 1 111 111 ASP HA H 1 4.786 0.023 . 1 . . . . 111 ASP HA . 16946 1 1237 . 1 1 111 111 ASP HB2 H 1 1.637 0.023 . 1 . . . . 111 ASP HB2 . 16946 1 1238 . 1 1 111 111 ASP HB3 H 1 1.298 0.023 . 1 . . . . 111 ASP HB3 . 16946 1 1239 . 1 1 111 111 ASP C C 13 176.185 0.210 . 1 . . . . 111 ASP C . 16946 1 1240 . 1 1 111 111 ASP CA C 13 53.575 0.210 . 1 . . . . 111 ASP CA . 16946 1 1241 . 1 1 111 111 ASP CB C 13 43.335 0.210 . 1 . . . . 111 ASP CB . 16946 1 1242 . 1 1 111 111 ASP N N 15 128.092 0.210 . 1 . . . . 111 ASP N . 16946 1 1243 . 1 1 112 112 VAL H H 1 9.214 0.023 . 1 . . . . 112 VAL H . 16946 1 1244 . 1 1 112 112 VAL HA H 1 4.353 0.023 . 1 . . . . 112 VAL HA . 16946 1 1245 . 1 1 112 112 VAL HB H 1 1.781 0.023 . 1 . . . . 112 VAL HB . 16946 1 1246 . 1 1 112 112 VAL HG11 H 1 0.344 0.023 . 2 . . . . 112 VAL HG1 . 16946 1 1247 . 1 1 112 112 VAL HG12 H 1 0.344 0.023 . 2 . . . . 112 VAL HG1 . 16946 1 1248 . 1 1 112 112 VAL HG13 H 1 0.344 0.023 . 2 . . . . 112 VAL HG1 . 16946 1 1249 . 1 1 112 112 VAL HG21 H 1 0.742 0.023 . 2 . . . . 112 VAL HG2 . 16946 1 1250 . 1 1 112 112 VAL HG22 H 1 0.742 0.023 . 2 . . . . 112 VAL HG2 . 16946 1 1251 . 1 1 112 112 VAL HG23 H 1 0.742 0.023 . 2 . . . . 112 VAL HG2 . 16946 1 1252 . 1 1 112 112 VAL C C 13 178.107 0.210 . 1 . . . . 112 VAL C . 16946 1 1253 . 1 1 112 112 VAL CA C 13 61.033 0.210 . 1 . . . . 112 VAL CA . 16946 1 1254 . 1 1 112 112 VAL CB C 13 32.785 0.210 . 1 . . . . 112 VAL CB . 16946 1 1255 . 1 1 112 112 VAL CG1 C 13 20.837 0.210 . 1 . . . . 112 VAL CG1 . 16946 1 1256 . 1 1 112 112 VAL CG2 C 13 23.227 0.210 . 1 . . . . 112 VAL CG2 . 16946 1 1257 . 1 1 112 112 VAL N N 15 129.209 0.210 . 1 . . . . 112 VAL N . 16946 1 1258 . 1 1 113 113 VAL H H 1 8.836 0.023 . 1 . . . . 113 VAL H . 16946 1 1259 . 1 1 113 113 VAL HA H 1 5.137 0.023 . 1 . . . . 113 VAL HA . 16946 1 1260 . 1 1 113 113 VAL CA C 13 51.455 0.210 . 1 . . . . 113 VAL CA . 16946 1 1261 . 1 1 113 113 VAL CB C 13 41.755 0.210 . 1 . . . . 113 VAL CB . 16946 1 1262 . 1 1 113 113 VAL N N 15 127.499 0.210 . 1 . . . . 113 VAL N . 16946 1 1263 . 1 1 114 114 PRO HA H 1 4.199 0.023 . 1 . . . . 114 PRO HA . 16946 1 1264 . 1 1 114 114 PRO HB2 H 1 1.905 0.023 . 1 . . . . 114 PRO HB2 . 16946 1 1265 . 1 1 114 114 PRO HD2 H 1 3.801 0.023 . 1 . . . . 114 PRO HD2 . 16946 1 1266 . 1 1 114 114 PRO HD3 H 1 3.694 0.023 . 1 . . . . 114 PRO HD3 . 16946 1 1267 . 1 1 114 114 PRO HG2 H 1 1.834 0.023 . 1 . . . . 114 PRO HG2 . 16946 1 1268 . 1 1 114 114 PRO HG3 H 1 1.637 0.023 . 1 . . . . 114 PRO HG3 . 16946 1 1269 . 1 1 114 114 PRO C C 13 176.149 0.210 . 1 . . . . 114 PRO C . 16946 1 1270 . 1 1 114 114 PRO CA C 13 62.513 0.210 . 1 . . . . 114 PRO CA . 16946 1 1271 . 1 1 114 114 PRO CB C 13 32.490 0.210 . 1 . . . . 114 PRO CB . 16946 1 1272 . 1 1 114 114 PRO CD C 13 50.626 0.210 . 1 . . . . 114 PRO CD . 16946 1 1273 . 1 1 114 114 PRO CG C 13 26.931 0.210 . 1 . . . . 114 PRO CG . 16946 1 1274 . 1 1 115 115 VAL H H 1 8.436 0.023 . 1 . . . . 115 VAL H . 16946 1 1275 . 1 1 115 115 VAL HA H 1 4.014 0.023 . 1 . . . . 115 VAL HA . 16946 1 1276 . 1 1 115 115 VAL HB H 1 1.672 0.023 . 1 . . . . 115 VAL HB . 16946 1 1277 . 1 1 115 115 VAL HG11 H 1 0.689 0.023 . 2 . . . . 115 VAL HG1 . 16946 1 1278 . 1 1 115 115 VAL HG12 H 1 0.689 0.023 . 2 . . . . 115 VAL HG1 . 16946 1 1279 . 1 1 115 115 VAL HG13 H 1 0.689 0.023 . 2 . . . . 115 VAL HG1 . 16946 1 1280 . 1 1 115 115 VAL HG21 H 1 0.689 0.023 . 2 . . . . 115 VAL HG2 . 16946 1 1281 . 1 1 115 115 VAL HG22 H 1 0.689 0.023 . 2 . . . . 115 VAL HG2 . 16946 1 1282 . 1 1 115 115 VAL HG23 H 1 0.689 0.023 . 2 . . . . 115 VAL HG2 . 16946 1 1283 . 1 1 115 115 VAL C C 13 177.241 0.210 . 1 . . . . 115 VAL C . 16946 1 1284 . 1 1 115 115 VAL CA C 13 62.121 0.210 . 1 . . . . 115 VAL CA . 16946 1 1285 . 1 1 115 115 VAL CB C 13 32.915 0.210 . 1 . . . . 115 VAL CB . 16946 1 1286 . 1 1 115 115 VAL CG1 C 13 20.461 0.210 . 1 . . . . 115 VAL CG1 . 16946 1 1287 . 1 1 115 115 VAL CG2 C 13 20.461 0.210 . 1 . . . . 115 VAL CG2 . 16946 1 1288 . 1 1 115 115 VAL N N 15 124.395 0.210 . 1 . . . . 115 VAL N . 16946 1 1289 . 1 1 116 116 LYS H H 1 8.518 0.023 . 1 . . . . 116 LYS H . 16946 1 1290 . 1 1 116 116 LYS HA H 1 5.215 0.023 . 1 . . . . 116 LYS HA . 16946 1 1291 . 1 1 116 116 LYS HB2 H 1 1.521 0.023 . 2 . . . . 116 LYS HB2 . 16946 1 1292 . 1 1 116 116 LYS HB3 H 1 1.521 0.023 . 2 . . . . 116 LYS HB3 . 16946 1 1293 . 1 1 116 116 LYS HG2 H 1 1.152 0.023 . 2 . . . . 116 LYS HG2 . 16946 1 1294 . 1 1 116 116 LYS HG3 H 1 0.905 0.023 . 2 . . . . 116 LYS HG3 . 16946 1 1295 . 1 1 116 116 LYS C C 13 175.062 0.210 . 1 . . . . 116 LYS C . 16946 1 1296 . 1 1 116 116 LYS CA C 13 54.468 0.210 . 1 . . . . 116 LYS CA . 16946 1 1297 . 1 1 116 116 LYS CB C 13 35.695 0.210 . 1 . . . . 116 LYS CB . 16946 1 1298 . 1 1 116 116 LYS CD C 13 29.547 0.210 . 1 . . . . 116 LYS CD . 16946 1 1299 . 1 1 116 116 LYS CE C 13 42.007 0.210 . 1 . . . . 116 LYS CE . 16946 1 1300 . 1 1 116 116 LYS CG C 13 26.200 0.210 . 1 . . . . 116 LYS CG . 16946 1 1301 . 1 1 116 116 LYS N N 15 126.406 0.210 . 1 . . . . 116 LYS N . 16946 1 1302 . 1 1 117 117 ASN H H 1 8.393 0.023 . 1 . . . . 117 ASN H . 16946 1 1303 . 1 1 117 117 ASN HA H 1 4.622 0.023 . 1 . . . . 117 ASN HA . 16946 1 1304 . 1 1 117 117 ASN HB2 H 1 3.360 0.023 . 1 . . . . 117 ASN HB2 . 16946 1 1305 . 1 1 117 117 ASN HB3 H 1 2.583 0.023 . 1 . . . . 117 ASN HB3 . 16946 1 1306 . 1 1 117 117 ASN HD21 H 1 7.505 0.023 . 2 . . . . 117 ASN HD21 . 16946 1 1307 . 1 1 117 117 ASN HD22 H 1 7.273 0.023 . 2 . . . . 117 ASN HD22 . 16946 1 1308 . 1 1 117 117 ASN C C 13 174.454 0.210 . 1 . . . . 117 ASN C . 16946 1 1309 . 1 1 117 117 ASN CA C 13 50.482 0.210 . 1 . . . . 117 ASN CA . 16946 1 1310 . 1 1 117 117 ASN CB C 13 38.707 0.210 . 1 . . . . 117 ASN CB . 16946 1 1311 . 1 1 117 117 ASN N N 15 117.872 0.210 . 1 . . . . 117 ASN N . 16946 1 1312 . 1 1 117 117 ASN ND2 N 15 111.575 0.210 . 1 . . . . 117 ASN ND2 . 16946 1 1313 . 1 1 118 118 GLU H H 1 9.136 0.023 . 1 . . . . 118 GLU H . 16946 1 1314 . 1 1 118 118 GLU HA H 1 3.949 0.023 . 1 . . . . 118 GLU HA . 16946 1 1315 . 1 1 118 118 GLU HB2 H 1 1.974 0.023 . 1 . . . . 118 GLU HB2 . 16946 1 1316 . 1 1 118 118 GLU HB3 H 1 1.914 0.023 . 1 . . . . 118 GLU HB3 . 16946 1 1317 . 1 1 118 118 GLU HG2 H 1 2.610 0.023 . 1 . . . . 118 GLU HG2 . 16946 1 1318 . 1 1 118 118 GLU HG3 H 1 2.292 0.023 . 1 . . . . 118 GLU HG3 . 16946 1 1319 . 1 1 118 118 GLU C C 13 175.170 0.210 . 1 . . . . 118 GLU C . 16946 1 1320 . 1 1 118 118 GLU CA C 13 59.181 0.210 . 1 . . . . 118 GLU CA . 16946 1 1321 . 1 1 118 118 GLU CB C 13 28.689 0.210 . 1 . . . . 118 GLU CB . 16946 1 1322 . 1 1 118 118 GLU CG C 13 34.770 0.210 . 1 . . . . 118 GLU CG . 16946 1 1323 . 1 1 118 118 GLU N N 15 119.013 0.210 . 1 . . . . 118 GLU N . 16946 1 1324 . 1 1 119 119 ASP H H 1 7.323 0.023 . 1 . . . . 119 ASP H . 16946 1 1325 . 1 1 119 119 ASP HA H 1 4.641 0.023 . 1 . . . . 119 ASP HA . 16946 1 1326 . 1 1 119 119 ASP HB2 H 1 2.758 0.023 . 2 . . . . 119 ASP HB2 . 16946 1 1327 . 1 1 119 119 ASP HB3 H 1 2.487 0.023 . 2 . . . . 119 ASP HB3 . 16946 1 1328 . 1 1 119 119 ASP C C 13 175.547 0.210 . 1 . . . . 119 ASP C . 16946 1 1329 . 1 1 119 119 ASP CA C 13 54.272 0.210 . 1 . . . . 119 ASP CA . 16946 1 1330 . 1 1 119 119 ASP CB C 13 41.259 0.210 . 1 . . . . 119 ASP CB . 16946 1 1331 . 1 1 119 119 ASP N N 15 116.866 0.210 . 1 . . . . 119 ASP N . 16946 1 1332 . 1 1 120 120 GLY H H 1 7.948 0.023 . 1 . . . . 120 GLY H . 16946 1 1333 . 1 1 120 120 GLY HA2 H 1 4.201 0.023 . 1 . . . . 120 GLY HA2 . 16946 1 1334 . 1 1 120 120 GLY HA3 H 1 3.482 0.023 . 1 . . . . 120 GLY HA3 . 16946 1 1335 . 1 1 120 120 GLY C C 13 178.997 0.210 . 1 . . . . 120 GLY C . 16946 1 1336 . 1 1 120 120 GLY CA C 13 45.205 0.210 . 1 . . . . 120 GLY CA . 16946 1 1337 . 1 1 120 120 GLY N N 15 107.623 0.210 . 1 . . . . 120 GLY N . 16946 1 1338 . 1 1 121 121 ALA H H 1 7.676 0.023 . 1 . . . . 121 ALA H . 16946 1 1339 . 1 1 121 121 ALA HA H 1 4.270 0.023 . 1 . . . . 121 ALA HA . 16946 1 1340 . 1 1 121 121 ALA HB1 H 1 1.146 0.023 . 1 . . . . 121 ALA HB . 16946 1 1341 . 1 1 121 121 ALA HB2 H 1 1.146 0.023 . 1 . . . . 121 ALA HB . 16946 1 1342 . 1 1 121 121 ALA HB3 H 1 1.146 0.023 . 1 . . . . 121 ALA HB . 16946 1 1343 . 1 1 121 121 ALA C C 13 174.957 0.210 . 1 . . . . 121 ALA C . 16946 1 1344 . 1 1 121 121 ALA CA C 13 50.913 0.210 . 1 . . . . 121 ALA CA . 16946 1 1345 . 1 1 121 121 ALA CB C 13 19.279 0.210 . 1 . . . . 121 ALA CB . 16946 1 1346 . 1 1 121 121 ALA N N 15 123.899 0.210 . 1 . . . . 121 ALA N . 16946 1 1347 . 1 1 122 122 VAL H H 1 8.575 0.023 . 1 . . . . 122 VAL H . 16946 1 1348 . 1 1 122 122 VAL HA H 1 3.684 0.023 . 1 . . . . 122 VAL HA . 16946 1 1349 . 1 1 122 122 VAL HB H 1 1.773 0.023 . 1 . . . . 122 VAL HB . 16946 1 1350 . 1 1 122 122 VAL HG11 H 1 0.778 0.023 . 2 . . . . 122 VAL HG1 . 16946 1 1351 . 1 1 122 122 VAL HG12 H 1 0.778 0.023 . 2 . . . . 122 VAL HG1 . 16946 1 1352 . 1 1 122 122 VAL HG13 H 1 0.778 0.023 . 2 . . . . 122 VAL HG1 . 16946 1 1353 . 1 1 122 122 VAL HG21 H 1 0.186 0.023 . 2 . . . . 122 VAL HG2 . 16946 1 1354 . 1 1 122 122 VAL HG22 H 1 0.186 0.023 . 2 . . . . 122 VAL HG2 . 16946 1 1355 . 1 1 122 122 VAL HG23 H 1 0.186 0.023 . 2 . . . . 122 VAL HG2 . 16946 1 1356 . 1 1 122 122 VAL CA C 13 63.770 0.210 . 1 . . . . 122 VAL CA . 16946 1 1357 . 1 1 122 122 VAL CB C 13 31.224 0.210 . 1 . . . . 122 VAL CB . 16946 1 1358 . 1 1 122 122 VAL CG1 C 13 22.200 0.210 . 1 . . . . 122 VAL CG1 . 16946 1 1359 . 1 1 122 122 VAL CG2 C 13 22.200 0.210 . 1 . . . . 122 VAL CG2 . 16946 1 1360 . 1 1 122 122 VAL N N 15 121.991 0.210 . 1 . . . . 122 VAL N . 16946 1 1361 . 1 1 123 123 ILE H H 1 8.699 0.023 . 1 . . . . 123 ILE H . 16946 1 1362 . 1 1 123 123 ILE HA H 1 4.389 0.023 . 1 . . . . 123 ILE HA . 16946 1 1363 . 1 1 123 123 ILE HB H 1 1.768 0.023 . 1 . . . . 123 ILE HB . 16946 1 1364 . 1 1 123 123 ILE HD11 H 1 0.567 0.023 . 1 . . . . 123 ILE HD1 . 16946 1 1365 . 1 1 123 123 ILE HD12 H 1 0.567 0.023 . 1 . . . . 123 ILE HD1 . 16946 1 1366 . 1 1 123 123 ILE HD13 H 1 0.567 0.023 . 1 . . . . 123 ILE HD1 . 16946 1 1367 . 1 1 123 123 ILE HG12 H 1 1.163 0.023 . 1 . . . . 123 ILE HG12 . 16946 1 1368 . 1 1 123 123 ILE HG13 H 1 0.911 0.023 . 1 . . . . 123 ILE HG13 . 16946 1 1369 . 1 1 123 123 ILE HG21 H 1 0.763 0.023 . 1 . . . . 123 ILE HG2 . 16946 1 1370 . 1 1 123 123 ILE HG22 H 1 0.763 0.023 . 1 . . . . 123 ILE HG2 . 16946 1 1371 . 1 1 123 123 ILE HG23 H 1 0.763 0.023 . 1 . . . . 123 ILE HG2 . 16946 1 1372 . 1 1 123 123 ILE C C 13 175.563 0.210 . 1 . . . . 123 ILE C . 16946 1 1373 . 1 1 123 123 ILE CA C 13 61.333 0.210 . 1 . . . . 123 ILE CA . 16946 1 1374 . 1 1 123 123 ILE CB C 13 40.088 0.210 . 1 . . . . 123 ILE CB . 16946 1 1375 . 1 1 123 123 ILE CD1 C 13 13.601 0.210 . 1 . . . . 123 ILE CD1 . 16946 1 1376 . 1 1 123 123 ILE CG1 C 13 26.305 0.210 . 1 . . . . 123 ILE CG1 . 16946 1 1377 . 1 1 123 123 ILE CG2 C 13 18.854 0.210 . 1 . . . . 123 ILE CG2 . 16946 1 1378 . 1 1 123 123 ILE N N 15 118.949 0.210 . 1 . . . . 123 ILE N . 16946 1 1379 . 1 1 124 124 MET H H 1 7.782 0.023 . 1 . . . . 124 MET H . 16946 1 1380 . 1 1 124 124 MET HA H 1 5.069 0.023 . 1 . . . . 124 MET HA . 16946 1 1381 . 1 1 124 124 MET HB2 H 1 2.081 0.023 . 2 . . . . 124 MET HB2 . 16946 1 1382 . 1 1 124 124 MET HB3 H 1 1.584 0.023 . 2 . . . . 124 MET HB3 . 16946 1 1383 . 1 1 124 124 MET HE1 H 1 1.877 0.023 . 1 . . . . 124 MET HE . 16946 1 1384 . 1 1 124 124 MET HE2 H 1 1.877 0.023 . 1 . . . . 124 MET HE . 16946 1 1385 . 1 1 124 124 MET HE3 H 1 1.877 0.023 . 1 . . . . 124 MET HE . 16946 1 1386 . 1 1 124 124 MET HG2 H 1 2.562 0.023 . 2 . . . . 124 MET HG2 . 16946 1 1387 . 1 1 124 124 MET HG3 H 1 2.272 0.023 . 2 . . . . 124 MET HG3 . 16946 1 1388 . 1 1 124 124 MET C C 13 179.522 0.210 . 1 . . . . 124 MET C . 16946 1 1389 . 1 1 124 124 MET CA C 13 54.722 0.210 . 1 . . . . 124 MET CA . 16946 1 1390 . 1 1 124 124 MET CB C 13 39.054 0.210 . 1 . . . . 124 MET CB . 16946 1 1391 . 1 1 124 124 MET CE C 13 18.341 0.210 . 1 . . . . 124 MET CE . 16946 1 1392 . 1 1 124 124 MET CG C 13 33.700 0.210 . 1 . . . . 124 MET CG . 16946 1 1393 . 1 1 124 124 MET N N 15 120.427 0.210 . 1 . . . . 124 MET N . 16946 1 1394 . 1 1 125 125 PHE H H 1 8.538 0.023 . 1 . . . . 125 PHE H . 16946 1 1395 . 1 1 125 125 PHE HA H 1 5.076 0.023 . 1 . . . . 125 PHE HA . 16946 1 1396 . 1 1 125 125 PHE HB2 H 1 2.537 0.023 . 1 . . . . 125 PHE HB2 . 16946 1 1397 . 1 1 125 125 PHE HB3 H 1 2.281 0.023 . 1 . . . . 125 PHE HB3 . 16946 1 1398 . 1 1 125 125 PHE HD1 H 1 6.621 0.023 . 1 . . . . 125 PHE HD1 . 16946 1 1399 . 1 1 125 125 PHE HD2 H 1 6.621 0.023 . 1 . . . . 125 PHE HD2 . 16946 1 1400 . 1 1 125 125 PHE HE1 H 1 6.621 0.023 . 1 . . . . 125 PHE HE1 . 16946 1 1401 . 1 1 125 125 PHE HE2 H 1 6.621 0.023 . 1 . . . . 125 PHE HE2 . 16946 1 1402 . 1 1 125 125 PHE HZ H 1 6.621 0.023 . 1 . . . . 125 PHE HZ . 16946 1 1403 . 1 1 125 125 PHE C C 13 177.434 0.210 . 1 . . . . 125 PHE C . 16946 1 1404 . 1 1 125 125 PHE CA C 13 57.567 0.210 . 1 . . . . 125 PHE CA . 16946 1 1405 . 1 1 125 125 PHE CB C 13 44.048 0.210 . 1 . . . . 125 PHE CB . 16946 1 1406 . 1 1 125 125 PHE N N 15 114.881 0.210 . 1 . . . . 125 PHE N . 16946 1 1407 . 1 1 126 126 ILE H H 1 9.150 0.023 . 1 . . . . 126 ILE H . 16946 1 1408 . 1 1 126 126 ILE HA H 1 4.691 0.023 . 1 . . . . 126 ILE HA . 16946 1 1409 . 1 1 126 126 ILE HB H 1 1.374 0.023 . 1 . . . . 126 ILE HB . 16946 1 1410 . 1 1 126 126 ILE HD11 H 1 0.216 0.023 . 1 . . . . 126 ILE HD1 . 16946 1 1411 . 1 1 126 126 ILE HD12 H 1 0.216 0.023 . 1 . . . . 126 ILE HD1 . 16946 1 1412 . 1 1 126 126 ILE HD13 H 1 0.216 0.023 . 1 . . . . 126 ILE HD1 . 16946 1 1413 . 1 1 126 126 ILE HG21 H 1 0.279 0.023 . 1 . . . . 126 ILE HG2 . 16946 1 1414 . 1 1 126 126 ILE HG22 H 1 0.279 0.023 . 1 . . . . 126 ILE HG2 . 16946 1 1415 . 1 1 126 126 ILE HG23 H 1 0.279 0.023 . 1 . . . . 126 ILE HG2 . 16946 1 1416 . 1 1 126 126 ILE C C 13 176.888 0.210 . 1 . . . . 126 ILE C . 16946 1 1417 . 1 1 126 126 ILE CA C 13 59.901 0.210 . 1 . . . . 126 ILE CA . 16946 1 1418 . 1 1 126 126 ILE CB C 13 39.756 0.210 . 1 . . . . 126 ILE CB . 16946 1 1419 . 1 1 126 126 ILE CD1 C 13 14.352 0.210 . 1 . . . . 126 ILE CD1 . 16946 1 1420 . 1 1 126 126 ILE CG1 C 13 27.788 0.210 . 1 . . . . 126 ILE CG1 . 16946 1 1421 . 1 1 126 126 ILE CG2 C 13 17.554 0.210 . 1 . . . . 126 ILE CG2 . 16946 1 1422 . 1 1 126 126 ILE N N 15 122.619 0.210 . 1 . . . . 126 ILE N . 16946 1 1423 . 1 1 127 127 LEU H H 1 8.853 0.023 . 1 . . . . 127 LEU H . 16946 1 1424 . 1 1 127 127 LEU HA H 1 5.298 0.023 . 1 . . . . 127 LEU HA . 16946 1 1425 . 1 1 127 127 LEU HD11 H 1 0.689 0.023 . 2 . . . . 127 LEU HD1 . 16946 1 1426 . 1 1 127 127 LEU HD12 H 1 0.689 0.023 . 2 . . . . 127 LEU HD1 . 16946 1 1427 . 1 1 127 127 LEU HD13 H 1 0.689 0.023 . 2 . . . . 127 LEU HD1 . 16946 1 1428 . 1 1 127 127 LEU HD21 H 1 0.707 0.023 . 2 . . . . 127 LEU HD2 . 16946 1 1429 . 1 1 127 127 LEU HD22 H 1 0.707 0.023 . 2 . . . . 127 LEU HD2 . 16946 1 1430 . 1 1 127 127 LEU HD23 H 1 0.707 0.023 . 2 . . . . 127 LEU HD2 . 16946 1 1431 . 1 1 127 127 LEU HG H 1 1.441 0.023 . 1 . . . . 127 LEU HG . 16946 1 1432 . 1 1 127 127 LEU C C 13 177.852 0.210 . 1 . . . . 127 LEU C . 16946 1 1433 . 1 1 127 127 LEU CA C 13 55.991 0.210 . 1 . . . . 127 LEU CA . 16946 1 1434 . 1 1 127 127 LEU CB C 13 42.707 0.210 . 1 . . . . 127 LEU CB . 16946 1 1435 . 1 1 127 127 LEU CD1 C 13 26.654 0.210 . 1 . . . . 127 LEU CD1 . 16946 1 1436 . 1 1 127 127 LEU CD2 C 13 24.564 0.210 . 1 . . . . 127 LEU CD2 . 16946 1 1437 . 1 1 127 127 LEU CG C 13 31.462 0.210 . 1 . . . . 127 LEU CG . 16946 1 1438 . 1 1 127 127 LEU N N 15 127.786 0.210 . 1 . . . . 127 LEU N . 16946 1 1439 . 1 1 128 128 ASN H H 1 8.677 0.023 . 1 . . . . 128 ASN H . 16946 1 1440 . 1 1 128 128 ASN HA H 1 5.490 0.023 . 1 . . . . 128 ASN HA . 16946 1 1441 . 1 1 128 128 ASN HB2 H 1 2.817 0.023 . 2 . . . . 128 ASN HB2 . 16946 1 1442 . 1 1 128 128 ASN HB3 H 1 2.585 0.023 . 2 . . . . 128 ASN HB3 . 16946 1 1443 . 1 1 128 128 ASN HD21 H 1 7.283 0.023 . 2 . . . . 128 ASN HD21 . 16946 1 1444 . 1 1 128 128 ASN HD22 H 1 6.255 0.023 . 2 . . . . 128 ASN HD22 . 16946 1 1445 . 1 1 128 128 ASN CA C 13 52.034 0.210 . 1 . . . . 128 ASN CA . 16946 1 1446 . 1 1 128 128 ASN CB C 13 42.469 0.210 . 1 . . . . 128 ASN CB . 16946 1 1447 . 1 1 128 128 ASN N N 15 121.139 0.210 . 1 . . . . 128 ASN N . 16946 1 1448 . 1 1 128 128 ASN ND2 N 15 111.537 0.210 . 1 . . . . 128 ASN ND2 . 16946 1 1449 . 1 1 129 129 PHE H H 1 9.152 0.023 . 1 . . . . 129 PHE H . 16946 1 1450 . 1 1 129 129 PHE HA H 1 4.963 0.023 . 1 . . . . 129 PHE HA . 16946 1 1451 . 1 1 129 129 PHE HB2 H 1 3.045 0.023 . 2 . . . . 129 PHE HB2 . 16946 1 1452 . 1 1 129 129 PHE HB3 H 1 2.710 0.023 . 2 . . . . 129 PHE HB3 . 16946 1 1453 . 1 1 129 129 PHE HD1 H 1 7.527 0.023 . 1 . . . . 129 PHE HD1 . 16946 1 1454 . 1 1 129 129 PHE HD2 H 1 7.527 0.023 . 1 . . . . 129 PHE HD2 . 16946 1 1455 . 1 1 129 129 PHE HE1 H 1 7.527 0.023 . 1 . . . . 129 PHE HE1 . 16946 1 1456 . 1 1 129 129 PHE HE2 H 1 7.527 0.023 . 1 . . . . 129 PHE HE2 . 16946 1 1457 . 1 1 129 129 PHE HZ H 1 7.527 0.023 . 1 . . . . 129 PHE HZ . 16946 1 1458 . 1 1 129 129 PHE C C 13 176.793 0.210 . 1 . . . . 129 PHE C . 16946 1 1459 . 1 1 129 129 PHE CA C 13 57.578 0.210 . 1 . . . . 129 PHE CA . 16946 1 1460 . 1 1 129 129 PHE CB C 13 41.336 0.210 . 1 . . . . 129 PHE CB . 16946 1 1461 . 1 1 129 129 PHE N N 15 122.383 0.210 . 1 . . . . 129 PHE N . 16946 1 1462 . 1 1 130 130 GLU H H 1 8.602 0.023 . 1 . . . . 130 GLU H . 16946 1 1463 . 1 1 130 130 GLU HA H 1 4.817 0.023 . 1 . . . . 130 GLU HA . 16946 1 1464 . 1 1 130 130 GLU HB2 H 1 2.034 0.023 . 1 . . . . 130 GLU HB2 . 16946 1 1465 . 1 1 130 130 GLU HB3 H 1 2.034 0.023 . 1 . . . . 130 GLU HB3 . 16946 1 1466 . 1 1 130 130 GLU HG2 H 1 2.268 0.023 . 1 . . . . 130 GLU HG2 . 16946 1 1467 . 1 1 130 130 GLU HG3 H 1 2.226 0.023 . 1 . . . . 130 GLU HG3 . 16946 1 1468 . 1 1 130 130 GLU C C 13 177.001 0.210 . 1 . . . . 130 GLU C . 16946 1 1469 . 1 1 130 130 GLU CA C 13 54.532 0.210 . 1 . . . . 130 GLU CA . 16946 1 1470 . 1 1 130 130 GLU CB C 13 32.824 0.210 . 1 . . . . 130 GLU CB . 16946 1 1471 . 1 1 130 130 GLU CG C 13 35.922 0.210 . 1 . . . . 130 GLU CG . 16946 1 1472 . 1 1 130 130 GLU N N 15 123.199 0.210 . 1 . . . . 130 GLU N . 16946 1 1473 . 1 1 131 131 VAL H H 1 8.931 0.023 . 1 . . . . 131 VAL H . 16946 1 1474 . 1 1 131 131 VAL HA H 1 4.244 0.023 . 1 . . . . 131 VAL HA . 16946 1 1475 . 1 1 131 131 VAL HB H 1 1.934 0.023 . 1 . . . . 131 VAL HB . 16946 1 1476 . 1 1 131 131 VAL HG11 H 1 0.840 0.023 . 2 . . . . 131 VAL HG1 . 16946 1 1477 . 1 1 131 131 VAL HG12 H 1 0.840 0.023 . 2 . . . . 131 VAL HG1 . 16946 1 1478 . 1 1 131 131 VAL HG13 H 1 0.840 0.023 . 2 . . . . 131 VAL HG1 . 16946 1 1479 . 1 1 131 131 VAL HG21 H 1 0.930 0.023 . 2 . . . . 131 VAL HG2 . 16946 1 1480 . 1 1 131 131 VAL HG22 H 1 0.930 0.023 . 2 . . . . 131 VAL HG2 . 16946 1 1481 . 1 1 131 131 VAL HG23 H 1 0.930 0.023 . 2 . . . . 131 VAL HG2 . 16946 1 1482 . 1 1 131 131 VAL C C 13 175.897 0.210 . 1 . . . . 131 VAL C . 16946 1 1483 . 1 1 131 131 VAL CA C 13 63.940 0.210 . 1 . . . . 131 VAL CA . 16946 1 1484 . 1 1 131 131 VAL CB C 13 32.218 0.210 . 1 . . . . 131 VAL CB . 16946 1 1485 . 1 1 131 131 VAL CG1 C 13 22.936 0.210 . 1 . . . . 131 VAL CG1 . 16946 1 1486 . 1 1 131 131 VAL CG2 C 13 21.523 0.210 . 1 . . . . 131 VAL CG2 . 16946 1 1487 . 1 1 131 131 VAL N N 15 126.028 0.210 . 1 . . . . 131 VAL N . 16946 1 1488 . 1 1 132 132 VAL H H 1 8.591 0.023 . 1 . . . . 132 VAL H . 16946 1 1489 . 1 1 132 132 VAL HA H 1 4.058 0.023 . 1 . . . . 132 VAL HA . 16946 1 1490 . 1 1 132 132 VAL HB H 1 1.932 0.023 . 1 . . . . 132 VAL HB . 16946 1 1491 . 1 1 132 132 VAL HG11 H 1 0.764 0.023 . 2 . . . . 132 VAL HG1 . 16946 1 1492 . 1 1 132 132 VAL HG12 H 1 0.764 0.023 . 2 . . . . 132 VAL HG1 . 16946 1 1493 . 1 1 132 132 VAL HG13 H 1 0.764 0.023 . 2 . . . . 132 VAL HG1 . 16946 1 1494 . 1 1 132 132 VAL HG21 H 1 0.764 0.023 . 2 . . . . 132 VAL HG2 . 16946 1 1495 . 1 1 132 132 VAL HG22 H 1 0.764 0.023 . 2 . . . . 132 VAL HG2 . 16946 1 1496 . 1 1 132 132 VAL HG23 H 1 0.764 0.023 . 2 . . . . 132 VAL HG2 . 16946 1 1497 . 1 1 132 132 VAL C C 13 176.630 0.210 . 1 . . . . 132 VAL C . 16946 1 1498 . 1 1 132 132 VAL CA C 13 62.156 0.210 . 1 . . . . 132 VAL CA . 16946 1 1499 . 1 1 132 132 VAL CB C 13 32.789 0.210 . 1 . . . . 132 VAL CB . 16946 1 1500 . 1 1 132 132 VAL CG1 C 13 20.980 0.210 . 1 . . . . 132 VAL CG1 . 16946 1 1501 . 1 1 132 132 VAL CG2 C 13 20.980 0.210 . 1 . . . . 132 VAL CG2 . 16946 1 1502 . 1 1 132 132 VAL N N 15 128.734 0.210 . 1 . . . . 132 VAL N . 16946 1 1503 . 1 1 133 133 MET H H 1 8.311 0.023 . 1 . . . . 133 MET H . 16946 1 1504 . 1 1 133 133 MET HA H 1 4.464 0.023 . 1 . . . . 133 MET HA . 16946 1 1505 . 1 1 133 133 MET HB2 H 1 1.963 0.023 . 2 . . . . 133 MET HB2 . 16946 1 1506 . 1 1 133 133 MET HB3 H 1 1.963 0.023 . 2 . . . . 133 MET HB3 . 16946 1 1507 . 1 1 133 133 MET HE1 H 1 2.008 0.023 . 1 . . . . 133 MET HE . 16946 1 1508 . 1 1 133 133 MET HE2 H 1 2.008 0.023 . 1 . . . . 133 MET HE . 16946 1 1509 . 1 1 133 133 MET HE3 H 1 2.008 0.023 . 1 . . . . 133 MET HE . 16946 1 1510 . 1 1 133 133 MET HG2 H 1 2.511 0.023 . 2 . . . . 133 MET HG2 . 16946 1 1511 . 1 1 133 133 MET HG3 H 1 2.440 0.023 . 2 . . . . 133 MET HG3 . 16946 1 1512 . 1 1 133 133 MET C C 13 176.213 0.210 . 1 . . . . 133 MET C . 16946 1 1513 . 1 1 133 133 MET CA C 13 55.038 0.210 . 1 . . . . 133 MET CA . 16946 1 1514 . 1 1 133 133 MET CB C 13 33.142 0.210 . 1 . . . . 133 MET CB . 16946 1 1515 . 1 1 133 133 MET CE C 13 16.995 0.210 . 1 . . . . 133 MET CE . 16946 1 1516 . 1 1 133 133 MET CG C 13 31.842 0.210 . 1 . . . . 133 MET CG . 16946 1 1517 . 1 1 133 133 MET N N 15 123.077 0.210 . 1 . . . . 133 MET N . 16946 1 1518 . 1 1 134 134 GLU H H 1 8.499 0.023 . 1 . . . . 134 GLU H . 16946 1 1519 . 1 1 134 134 GLU HA H 1 4.202 0.023 . 1 . . . . 134 GLU HA . 16946 1 1520 . 1 1 134 134 GLU HB2 H 1 2.000 0.023 . 2 . . . . 134 GLU HB2 . 16946 1 1521 . 1 1 134 134 GLU HB3 H 1 1.859 0.023 . 2 . . . . 134 GLU HB3 . 16946 1 1522 . 1 1 134 134 GLU HG2 H 1 2.216 0.023 . 2 . . . . 134 GLU HG2 . 16946 1 1523 . 1 1 134 134 GLU HG3 H 1 2.160 0.023 . 2 . . . . 134 GLU HG3 . 16946 1 1524 . 1 1 134 134 GLU C C 13 175.640 0.210 . 1 . . . . 134 GLU C . 16946 1 1525 . 1 1 134 134 GLU CA C 13 56.782 0.210 . 1 . . . . 134 GLU CA . 16946 1 1526 . 1 1 134 134 GLU CB C 13 30.425 0.210 . 1 . . . . 134 GLU CB . 16946 1 1527 . 1 1 134 134 GLU CG C 13 36.173 0.210 . 1 . . . . 134 GLU CG . 16946 1 1528 . 1 1 134 134 GLU N N 15 123.119 0.210 . 1 . . . . 134 GLU N . 16946 1 1529 . 1 1 135 135 LYS H H 1 8.354 0.023 . 1 . . . . 135 LYS H . 16946 1 1530 . 1 1 135 135 LYS HA H 1 4.205 0.023 . 1 . . . . 135 LYS HA . 16946 1 1531 . 1 1 135 135 LYS HB2 H 1 1.729 0.023 . 2 . . . . 135 LYS HB2 . 16946 1 1532 . 1 1 135 135 LYS HB3 H 1 1.645 0.023 . 2 . . . . 135 LYS HB3 . 16946 1 1533 . 1 1 135 135 LYS C C 13 175.456 0.210 . 1 . . . . 135 LYS C . 16946 1 1534 . 1 1 135 135 LYS CA C 13 56.513 0.210 . 1 . . . . 135 LYS CA . 16946 1 1535 . 1 1 135 135 LYS CB C 13 32.913 0.210 . 1 . . . . 135 LYS CB . 16946 1 1536 . 1 1 135 135 LYS N N 15 121.820 0.210 . 1 . . . . 135 LYS N . 16946 1 stop_ save_