data_16928 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16928 _Entry.Title ; 1H, 13C and 15N chemical shift assignment of the N-terminal domain of the voltage-gated potassium channel-hERG ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-05-14 _Entry.Accession_date 2010-05-14 _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 Qingxin Li . . . 16928 2 Congbao Kang . . . 16928 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16928 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 516 16928 '15N chemical shifts' 139 16928 '1H chemical shifts' 610 16928 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 . . 2010-10-12 2010-05-14 update BMRB 'update entry citation' 16928 1 . . 2010-07-16 2010-05-14 original author 'original release' 16928 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16928 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20607461 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N chemical shift assignments for the N-terminal domain of the voltage-gated potassium channel-hERG.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 4 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 211 _Citation.Page_last 213 _Citation.Year 2010 _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 Qingxin Li . . . 16928 1 2 Manfred Raida . . . 16928 1 3 CongBao Kang . . . 16928 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hERG 16928 1 'PAS domain' 16928 1 'voltage gated potassium channel' 16928 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16928 _Assembly.ID 1 _Assembly.Name 'hERG N-terminal domain' _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 . _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 'hERG N-terminal 135 residues' 1 $hERG_NTD A . yes native no no . . . 16928 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hERG_NTD _Entity.Sf_category entity _Entity.Sf_framecode hERG_NTD _Entity.Entry_ID 16928 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hERG_NTD _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 ; HMPVRRGHVAPQNTFLDTII RKFEGQSRKFIIANARVENC AVIYCNDGFCELCGYSRAEV MQRPCTCDFLHGPRTQRRAA AQIAQALLGAEERKVEIAFY RKDGSCFLCLVDVVPVKNED GAVIMFILNFEVVMEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 0,H 1,M 2,P 3,V ; _Entity.Polymer_author_seq_details 'Residue 0 H was from Factor Xa cleavage. This residue is not included in the assignment.' _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 136 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'hERG NTD' _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 16946 . hERG1-135 . . . . . 99.26 150 100.00 100.00 2.12e-93 . . . . 16928 1 2 no BMRB 17066 . Potassium_voltage-gated_channel_subfamily_H_member_2 . . . . . 99.26 136 100.00 100.00 2.96e-93 . . . . 16928 1 3 no PDB 1BYW . "Structure Of The N-Terminal Domain Of The Human-Erg Potassium Channel" . . . . . 80.88 110 99.09 99.09 1.71e-71 . . . . 16928 1 4 no PDB 2L0W . "Solution Nmr Structure Of The N-Terminal Pas Domain Of Herg Potassium Channel" . . . . . 99.26 138 100.00 100.00 3.41e-93 . . . . 16928 1 5 no PDB 2L1M . "Solution Structure Of The Eag Domain Of The Herg (Kv11.1) K+ Channel" . . . . . 99.26 150 100.00 100.00 2.12e-93 . . . . 16928 1 6 no PDB 2L4R . "Nmr Solution Structure Of The N-Terminal Pas Domain Of Herg" . . . . . 99.26 135 100.00 100.00 3.02e-93 . . . . 16928 1 7 no PDB 4HP9 . "Crystal Structure Of The N-terminal Truncated Pas Domain From The Herg Potassium Channel" . . . . . 93.38 128 99.21 100.00 2.99e-86 . . . . 16928 1 8 no PDB 4HQA . "Crystal Structure Of Pas Domain From The Human Erg (herg) Potassium Channel" . . . . . 99.26 137 100.00 100.00 2.62e-93 . . . . 16928 1 9 no DBJ BAA37096 . "HERG [Homo sapiens]" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 16928 1 10 no DBJ BAB19682 . "HERG-USO [Homo sapiens]" . . . . . 99.26 888 100.00 100.00 2.38e-92 . . . . 16928 1 11 no EMBL CAA09232 . "ether-a-go-go-related protein [Homo sapiens]" . . . . . 80.15 1133 100.00 100.00 7.50e-71 . . . . 16928 1 12 no EMBL CAB09536 . "r-ERG [Rattus norvegicus]" . . . . . 99.26 1163 100.00 100.00 4.65e-91 . . . . 16928 1 13 no EMBL CAB64868 . "potassium channel [Canis lupus familiaris]" . . . . . 99.26 1158 100.00 100.00 4.52e-91 . . . . 16928 1 14 no GB AAA62473 . "putative potassium channel subunit [Homo sapiens]" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 16928 1 15 no GB AAC53418 . "ether-a-go-go-related protein isoform Merg1a [Mus musculus]" . . . . . 99.26 1162 100.00 100.00 4.62e-91 . . . . 16928 1 16 no GB AAC53420 . "Merg1a [Mus musculus]" . . . . . 99.26 1162 100.00 100.00 4.62e-91 . . . . 16928 1 17 no GB AAC53422 . "Merg1a' [Mus musculus]" . . . . . 55.88 1103 100.00 100.00 1.85e-44 . . . . 16928 1 18 no GB AAC99425 . "potassium channel protein ERG long isoform [Oryctolagus cuniculus]" . . . . . 89.71 122 100.00 100.00 2.19e-83 . . . . 16928 1 19 no REF NP_000229 . "potassium voltage-gated channel subfamily H member 2 isoform a [Homo sapiens]" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 16928 1 20 no REF NP_001003145 . "potassium voltage-gated channel subfamily H member 2 [Canis lupus familiaris]" . . . . . 99.26 1158 100.00 100.00 4.52e-91 . . . . 16928 1 21 no REF NP_001092571 . "potassium voltage-gated channel subfamily H member 2 [Bos taurus]" . . . . . 99.26 849 100.00 100.00 5.88e-92 . . . . 16928 1 22 no REF NP_001166444 . "potassium voltage-gated channel subfamily H member 2 [Cavia porcellus]" . . . . . 99.26 1158 100.00 100.00 4.52e-91 . . . . 16928 1 23 no REF NP_001180587 . "potassium voltage-gated channel subfamily H member 2 [Equus caballus]" . . . . . 99.26 1158 99.26 100.00 1.20e-90 . . . . 16928 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 " . . . . . 99.26 1163 100.00 100.00 4.65e-91 . . . . 16928 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 " . . . . . 99.26 1162 100.00 100.00 4.62e-91 . . . . 16928 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" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 16928 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 " . . . . . 99.26 1161 100.00 100.00 4.60e-91 . . . . 16928 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 " . . . . . 99.26 1158 100.00 100.00 4.52e-91 . . . . 16928 1 29 no TPG DAA30311 . "TPA: voltage-gated potassium channel, subfamily H, member 2 [Bos taurus]" . . . . . 99.26 783 100.00 100.00 2.13e-92 . . . . 16928 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Regulation hERG channel function' 16928 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 0 HIS . 16928 1 2 1 MET . 16928 1 3 2 PRO . 16928 1 4 3 VAL . 16928 1 5 4 ARG . 16928 1 6 5 ARG . 16928 1 7 6 GLY . 16928 1 8 7 HIS . 16928 1 9 8 VAL . 16928 1 10 9 ALA . 16928 1 11 10 PRO . 16928 1 12 11 GLN . 16928 1 13 12 ASN . 16928 1 14 13 THR . 16928 1 15 14 PHE . 16928 1 16 15 LEU . 16928 1 17 16 ASP . 16928 1 18 17 THR . 16928 1 19 18 ILE . 16928 1 20 19 ILE . 16928 1 21 20 ARG . 16928 1 22 21 LYS . 16928 1 23 22 PHE . 16928 1 24 23 GLU . 16928 1 25 24 GLY . 16928 1 26 25 GLN . 16928 1 27 26 SER . 16928 1 28 27 ARG . 16928 1 29 28 LYS . 16928 1 30 29 PHE . 16928 1 31 30 ILE . 16928 1 32 31 ILE . 16928 1 33 32 ALA . 16928 1 34 33 ASN . 16928 1 35 34 ALA . 16928 1 36 35 ARG . 16928 1 37 36 VAL . 16928 1 38 37 GLU . 16928 1 39 38 ASN . 16928 1 40 39 CYS . 16928 1 41 40 ALA . 16928 1 42 41 VAL . 16928 1 43 42 ILE . 16928 1 44 43 TYR . 16928 1 45 44 CYS . 16928 1 46 45 ASN . 16928 1 47 46 ASP . 16928 1 48 47 GLY . 16928 1 49 48 PHE . 16928 1 50 49 CYS . 16928 1 51 50 GLU . 16928 1 52 51 LEU . 16928 1 53 52 CYS . 16928 1 54 53 GLY . 16928 1 55 54 TYR . 16928 1 56 55 SER . 16928 1 57 56 ARG . 16928 1 58 57 ALA . 16928 1 59 58 GLU . 16928 1 60 59 VAL . 16928 1 61 60 MET . 16928 1 62 61 GLN . 16928 1 63 62 ARG . 16928 1 64 63 PRO . 16928 1 65 64 CYS . 16928 1 66 65 THR . 16928 1 67 66 CYS . 16928 1 68 67 ASP . 16928 1 69 68 PHE . 16928 1 70 69 LEU . 16928 1 71 70 HIS . 16928 1 72 71 GLY . 16928 1 73 72 PRO . 16928 1 74 73 ARG . 16928 1 75 74 THR . 16928 1 76 75 GLN . 16928 1 77 76 ARG . 16928 1 78 77 ARG . 16928 1 79 78 ALA . 16928 1 80 79 ALA . 16928 1 81 80 ALA . 16928 1 82 81 GLN . 16928 1 83 82 ILE . 16928 1 84 83 ALA . 16928 1 85 84 GLN . 16928 1 86 85 ALA . 16928 1 87 86 LEU . 16928 1 88 87 LEU . 16928 1 89 88 GLY . 16928 1 90 89 ALA . 16928 1 91 90 GLU . 16928 1 92 91 GLU . 16928 1 93 92 ARG . 16928 1 94 93 LYS . 16928 1 95 94 VAL . 16928 1 96 95 GLU . 16928 1 97 96 ILE . 16928 1 98 97 ALA . 16928 1 99 98 PHE . 16928 1 100 99 TYR . 16928 1 101 100 ARG . 16928 1 102 101 LYS . 16928 1 103 102 ASP . 16928 1 104 103 GLY . 16928 1 105 104 SER . 16928 1 106 105 CYS . 16928 1 107 106 PHE . 16928 1 108 107 LEU . 16928 1 109 108 CYS . 16928 1 110 109 LEU . 16928 1 111 110 VAL . 16928 1 112 111 ASP . 16928 1 113 112 VAL . 16928 1 114 113 VAL . 16928 1 115 114 PRO . 16928 1 116 115 VAL . 16928 1 117 116 LYS . 16928 1 118 117 ASN . 16928 1 119 118 GLU . 16928 1 120 119 ASP . 16928 1 121 120 GLY . 16928 1 122 121 ALA . 16928 1 123 122 VAL . 16928 1 124 123 ILE . 16928 1 125 124 MET . 16928 1 126 125 PHE . 16928 1 127 126 ILE . 16928 1 128 127 LEU . 16928 1 129 128 ASN . 16928 1 130 129 PHE . 16928 1 131 130 GLU . 16928 1 132 131 VAL . 16928 1 133 132 VAL . 16928 1 134 133 MET . 16928 1 135 134 GLU . 16928 1 136 135 LYS . 16928 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 . HIS 1 1 16928 1 . MET 2 2 16928 1 . PRO 3 3 16928 1 . VAL 4 4 16928 1 . ARG 5 5 16928 1 . ARG 6 6 16928 1 . GLY 7 7 16928 1 . HIS 8 8 16928 1 . VAL 9 9 16928 1 . ALA 10 10 16928 1 . PRO 11 11 16928 1 . GLN 12 12 16928 1 . ASN 13 13 16928 1 . THR 14 14 16928 1 . PHE 15 15 16928 1 . LEU 16 16 16928 1 . ASP 17 17 16928 1 . THR 18 18 16928 1 . ILE 19 19 16928 1 . ILE 20 20 16928 1 . ARG 21 21 16928 1 . LYS 22 22 16928 1 . PHE 23 23 16928 1 . GLU 24 24 16928 1 . GLY 25 25 16928 1 . GLN 26 26 16928 1 . SER 27 27 16928 1 . ARG 28 28 16928 1 . LYS 29 29 16928 1 . PHE 30 30 16928 1 . ILE 31 31 16928 1 . ILE 32 32 16928 1 . ALA 33 33 16928 1 . ASN 34 34 16928 1 . ALA 35 35 16928 1 . ARG 36 36 16928 1 . VAL 37 37 16928 1 . GLU 38 38 16928 1 . ASN 39 39 16928 1 . CYS 40 40 16928 1 . ALA 41 41 16928 1 . VAL 42 42 16928 1 . ILE 43 43 16928 1 . TYR 44 44 16928 1 . CYS 45 45 16928 1 . ASN 46 46 16928 1 . ASP 47 47 16928 1 . GLY 48 48 16928 1 . PHE 49 49 16928 1 . CYS 50 50 16928 1 . GLU 51 51 16928 1 . LEU 52 52 16928 1 . CYS 53 53 16928 1 . GLY 54 54 16928 1 . TYR 55 55 16928 1 . SER 56 56 16928 1 . ARG 57 57 16928 1 . ALA 58 58 16928 1 . GLU 59 59 16928 1 . VAL 60 60 16928 1 . MET 61 61 16928 1 . GLN 62 62 16928 1 . ARG 63 63 16928 1 . PRO 64 64 16928 1 . CYS 65 65 16928 1 . THR 66 66 16928 1 . CYS 67 67 16928 1 . ASP 68 68 16928 1 . PHE 69 69 16928 1 . LEU 70 70 16928 1 . HIS 71 71 16928 1 . GLY 72 72 16928 1 . PRO 73 73 16928 1 . ARG 74 74 16928 1 . THR 75 75 16928 1 . GLN 76 76 16928 1 . ARG 77 77 16928 1 . ARG 78 78 16928 1 . ALA 79 79 16928 1 . ALA 80 80 16928 1 . ALA 81 81 16928 1 . GLN 82 82 16928 1 . ILE 83 83 16928 1 . ALA 84 84 16928 1 . GLN 85 85 16928 1 . ALA 86 86 16928 1 . LEU 87 87 16928 1 . LEU 88 88 16928 1 . GLY 89 89 16928 1 . ALA 90 90 16928 1 . GLU 91 91 16928 1 . GLU 92 92 16928 1 . ARG 93 93 16928 1 . LYS 94 94 16928 1 . VAL 95 95 16928 1 . GLU 96 96 16928 1 . ILE 97 97 16928 1 . ALA 98 98 16928 1 . PHE 99 99 16928 1 . TYR 100 100 16928 1 . ARG 101 101 16928 1 . LYS 102 102 16928 1 . ASP 103 103 16928 1 . GLY 104 104 16928 1 . SER 105 105 16928 1 . CYS 106 106 16928 1 . PHE 107 107 16928 1 . LEU 108 108 16928 1 . CYS 109 109 16928 1 . LEU 110 110 16928 1 . VAL 111 111 16928 1 . ASP 112 112 16928 1 . VAL 113 113 16928 1 . VAL 114 114 16928 1 . PRO 115 115 16928 1 . VAL 116 116 16928 1 . LYS 117 117 16928 1 . ASN 118 118 16928 1 . GLU 119 119 16928 1 . ASP 120 120 16928 1 . GLY 121 121 16928 1 . ALA 122 122 16928 1 . VAL 123 123 16928 1 . ILE 124 124 16928 1 . MET 125 125 16928 1 . PHE 126 126 16928 1 . ILE 127 127 16928 1 . LEU 128 128 16928 1 . ASN 129 129 16928 1 . PHE 130 130 16928 1 . GLU 131 131 16928 1 . VAL 132 132 16928 1 . VAL 133 133 16928 1 . MET 134 134 16928 1 . GLU 135 135 16928 1 . LYS 136 136 16928 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 16928 _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 $hERG_NTD . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens 'E.coli BL21(DE3)' . . . . . . . . . . . . . . . . . . . . 16928 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 16928 _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 $hERG_NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET16b . . . 'the cDNA of hERG NTD was cloned into pET16b and resulting plasmid codes a fusion protein with Factor cleavage site.' . . 16928 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16928 _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 'hERG NTD' '[U-100% 15N]' . . 1 $hERG_NTD . . . 0.3 1.0 mM . . . . 16928 1 2 Na-PO4 'natural abundance' . . . . . . 20 . . mM . . . . 16928 1 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16928 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16928 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16928 _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 'hERG NTD' '[U-100% 13C; U-100% 15N]' . . 1 $hERG_NTD . . . 0.5 1 mM . . . . 16928 2 2 Na-PO4 'natural abundance' . . . . . . 20 . . mM . . . . 16928 2 3 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 16928 2 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 16928 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 16928 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM Na-PO4, pH6.5, 150 mM NaCl, 2 mM DTT.' 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' 0.15 . M 16928 1 pH 6.5 . pH 16928 1 pressure 1 . atm 16928 1 temperature 298 . K 16928 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16928 _Software.ID 1 _Software.Name NMRPipe _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://spin.niddk.nih.gov/NMRPipe/ 16928 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16928 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16928 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16928 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16928 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR600 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR600 _NMR_spectrometer.Entry_ID 16928 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR700 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR700 _NMR_spectrometer.Entry_ID 16928 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_nmr800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode nmr800 _NMR_spectrometer.Entry_ID 16928 _NMR_spectrometer.ID 3 _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 16928 _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 NMR600 Bruker Avance . 600 . . . 16928 1 2 NMR700 Bruker Avance . 700 . . . 16928 1 3 nmr800 Bruker Avance . 800 . . . 16928 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 16928 _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 . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 16928 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 16928 1 3 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 4 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 16928 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 16928 1 8 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR600 . . . . . . . . . . . . . . . . 16928 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 10 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 11 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $nmr800 . . . . . . . . . . . . . . . . 16928 1 12 '3D HNCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR700 . . . . . . . . . . . . . . . . 16928 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 16928 _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 na indirect 0.251449530 . . . . . . . . . 16928 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . . . . . 16928 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . . . . . . . 16928 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 16928 _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16928 1 2 '3D HNCO' . . . 16928 1 4 '3D HNCACB' . . . 16928 1 5 '3D HBHA(CO)NH' . . . 16928 1 7 '3D H(CCO)NH' . . . 16928 1 8 '3D C(CO)NH' . . . 16928 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO HA H 1 4.492 0.02 . 1 . . . . 2 P HA . 16928 1 2 . 1 1 3 3 PRO HB2 H 1 2.323 0.02 . 2 . . . . 2 P HB1 . 16928 1 3 . 1 1 3 3 PRO HB3 H 1 1.899 0.02 . 2 . . . . 2 P HB2 . 16928 1 4 . 1 1 3 3 PRO C C 13 176.561 0.3 . 1 . . . . 2 P C . 16928 1 5 . 1 1 3 3 PRO CA C 13 63.001 0.3 . 1 . . . . 2 P CA . 16928 1 6 . 1 1 3 3 PRO CB C 13 32.384 0.3 . 1 . . . . 2 P CB . 16928 1 7 . 1 1 3 3 PRO CD C 13 51.716 0.3 . 1 . . . . 2 P CD . 16928 1 8 . 1 1 3 3 PRO CG C 13 28.331 0.3 . 1 . . . . 2 P CG . 16928 1 9 . 1 1 4 4 VAL H H 1 8.231 0.02 . 1 . . . . 3 V HN . 16928 1 10 . 1 1 4 4 VAL HA H 1 4.083 0.02 . 1 . . . . 3 V HA . 16928 1 11 . 1 1 4 4 VAL HB H 1 2.056 0.02 . 1 . . . . 3 V HB . 16928 1 12 . 1 1 4 4 VAL HG11 H 1 0.909 0.02 . 4 . . . . 3 V HG11 . 16928 1 13 . 1 1 4 4 VAL HG12 H 1 0.909 0.02 . 4 . . . . 3 V HG11 . 16928 1 14 . 1 1 4 4 VAL HG13 H 1 0.909 0.02 . 4 . . . . 3 V HG11 . 16928 1 15 . 1 1 4 4 VAL C C 13 176.099 0.3 . 1 . . . . 3 V C . 16928 1 16 . 1 1 4 4 VAL CA C 13 62.341 0.3 . 1 . . . . 3 V CA . 16928 1 17 . 1 1 4 4 VAL CB C 13 32.989 0.3 . 1 . . . . 3 V CB . 16928 1 18 . 1 1 4 4 VAL CG1 C 13 21.927 0.3 . 2 . . . . 3 V CG1 . 16928 1 19 . 1 1 4 4 VAL N N 15 121.075 0.3 . 1 . . . . 3 V N . 16928 1 20 . 1 1 5 5 ARG H H 1 8.415 0.02 . 1 . . . . 4 R HN . 16928 1 21 . 1 1 5 5 ARG HA H 1 4.389 0.02 . 1 . . . . 4 R HA . 16928 1 22 . 1 1 5 5 ARG HB2 H 1 1.795 0.02 . 2 . . . . 4 R HB1 . 16928 1 23 . 1 1 5 5 ARG C C 13 175.965 0.3 . 1 . . . . 4 R C . 16928 1 24 . 1 1 5 5 ARG CA C 13 55.829 0.3 . 1 . . . . 4 R CA . 16928 1 25 . 1 1 5 5 ARG CB C 13 31.137 0.3 . 1 . . . . 4 R CB . 16928 1 26 . 1 1 5 5 ARG CD C 13 44.336 0.3 . 1 . . . . 4 R CD . 16928 1 27 . 1 1 5 5 ARG CG C 13 28.016 0.3 . 1 . . . . 4 R CG . 16928 1 28 . 1 1 5 5 ARG N N 15 125.691 0.3 . 1 . . . . 4 R N . 16928 1 29 . 1 1 6 6 ARG H H 1 8.443 0.02 . 1 . . . . 5 R HN . 16928 1 30 . 1 1 6 6 ARG HA H 1 4.360 0.02 . 1 . . . . 5 R HA . 16928 1 31 . 1 1 6 6 ARG HB2 H 1 1.826 0.02 . 2 . . . . 5 R HB1 . 16928 1 32 . 1 1 6 6 ARG C C 13 176.637 0.3 . 1 . . . . 5 R C . 16928 1 33 . 1 1 6 6 ARG CA C 13 56.108 0.3 . 1 . . . . 5 R CA . 16928 1 34 . 1 1 6 6 ARG CB C 13 31.191 0.3 . 1 . . . . 5 R CB . 16928 1 35 . 1 1 6 6 ARG CD C 13 44.291 0.3 . 1 . . . . 5 R CD . 16928 1 36 . 1 1 6 6 ARG CG C 13 28.104 0.3 . 1 . . . . 5 R CG . 16928 1 37 . 1 1 6 6 ARG N N 15 123.437 0.3 . 1 . . . . 5 R N . 16928 1 38 . 1 1 7 7 GLY H H 1 8.461 0.02 . 1 . . . . 6 G HN . 16928 1 39 . 1 1 7 7 GLY HA2 H 1 3.926 0.02 . 2 . . . . 6 G HA1 . 16928 1 40 . 1 1 7 7 GLY C C 13 173.599 0.3 . 1 . . . . 6 G C . 16928 1 41 . 1 1 7 7 GLY CA C 13 45.134 0.3 . 1 . . . . 6 G CA . 16928 1 42 . 1 1 7 7 GLY N N 15 110.400 0.3 . 1 . . . . 6 G N . 16928 1 43 . 1 1 8 8 HIS H H 1 8.261 0.02 . 1 . . . . 7 H HN . 16928 1 44 . 1 1 8 8 HIS HA H 1 4.684 0.02 . 1 . . . . 7 H HA . 16928 1 45 . 1 1 8 8 HIS HB2 H 1 3.136 0.02 . 2 . . . . 7 H HB1 . 16928 1 46 . 1 1 8 8 HIS CA C 13 56.970 0.3 . 1 . . . . 7 H CA . 16928 1 47 . 1 1 8 8 HIS CB C 13 31.609 0.3 . 1 . . . . 7 H CB . 16928 1 48 . 1 1 8 8 HIS N N 15 119.440 0.3 . 1 . . . . 7 H N . 16928 1 49 . 1 1 9 9 VAL H H 1 8.048 0.02 . 1 . . . . 8 V HN . 16928 1 50 . 1 1 9 9 VAL HA H 1 4.127 0.02 . 1 . . . . 8 V HA . 16928 1 51 . 1 1 9 9 VAL HB H 1 2.042 0.02 . 1 . . . . 8 V HB . 16928 1 52 . 1 1 9 9 VAL HG11 H 1 0.841 0.02 . 4 . . . . 8 V HG11 . 16928 1 53 . 1 1 9 9 VAL HG12 H 1 0.841 0.02 . 4 . . . . 8 V HG11 . 16928 1 54 . 1 1 9 9 VAL HG13 H 1 0.841 0.02 . 4 . . . . 8 V HG11 . 16928 1 55 . 1 1 9 9 VAL HG21 H 1 1.274 0.02 . 4 . . . . 8 V HG21 . 16928 1 56 . 1 1 9 9 VAL HG22 H 1 1.274 0.02 . 4 . . . . 8 V HG21 . 16928 1 57 . 1 1 9 9 VAL HG23 H 1 1.274 0.02 . 4 . . . . 8 V HG21 . 16928 1 58 . 1 1 9 9 VAL C C 13 175.115 0.3 . 1 . . . . 8 V C . 16928 1 59 . 1 1 9 9 VAL CA C 13 61.853 0.3 . 1 . . . . 8 V CA . 16928 1 60 . 1 1 9 9 VAL CB C 13 33.287 0.3 . 1 . . . . 8 V CB . 16928 1 61 . 1 1 9 9 VAL CG1 C 13 21.790 0.3 . 2 . . . . 8 V CG1 . 16928 1 62 . 1 1 9 9 VAL N N 15 122.282 0.3 . 1 . . . . 8 V N . 16928 1 63 . 1 1 10 10 ALA H H 1 8.394 0.02 . 1 . . . . 9 A HN . 16928 1 64 . 1 1 10 10 ALA HA H 1 4.562 0.02 . 1 . . . . 9 A HA . 16928 1 65 . 1 1 10 10 ALA C C 13 175.377 0.3 . 1 . . . . 9 A C . 16928 1 66 . 1 1 10 10 ALA CA C 13 50.451 0.3 . 1 . . . . 9 A CA . 16928 1 67 . 1 1 10 10 ALA CB C 13 18.532 0.3 . 1 . . . . 9 A CB . 16928 1 68 . 1 1 10 10 ALA N N 15 129.361 0.3 . 1 . . . . 9 A N . 16928 1 69 . 1 1 11 11 PRO HA H 1 4.432 0.02 . 1 . . . . 10 P HA . 16928 1 70 . 1 1 11 11 PRO HB2 H 1 2.318 0.02 . 2 . . . . 10 P HB1 . 16928 1 71 . 1 1 11 11 PRO HB3 H 1 2.052 0.02 . 2 . . . . 10 P HB2 . 16928 1 72 . 1 1 11 11 PRO C C 13 177.000 0.3 . 1 . . . . 10 P C . 16928 1 73 . 1 1 11 11 PRO CA C 13 63.465 0.3 . 1 . . . . 10 P CA . 16928 1 74 . 1 1 11 11 PRO CB C 13 32.390 0.3 . 1 . . . . 10 P CB . 16928 1 75 . 1 1 11 11 PRO CD C 13 51.431 0.3 . 1 . . . . 10 P CD . 16928 1 76 . 1 1 11 11 PRO CG C 13 28.403 0.3 . 1 . . . . 10 P CG . 16928 1 77 . 1 1 12 12 GLN H H 1 8.535 0.02 . 1 . . . . 11 Q HN . 16928 1 78 . 1 1 12 12 GLN HA H 1 4.272 0.02 . 1 . . . . 11 Q HA . 16928 1 79 . 1 1 12 12 GLN HB2 H 1 2.060 0.02 . 2 . . . . 11 Q HB1 . 16928 1 80 . 1 1 12 12 GLN HE21 H 1 7.568 0.02 . 2 . . . . 11 Q HE21 . 16928 1 81 . 1 1 12 12 GLN HE22 H 1 6.823 0.02 . 2 . . . . 11 Q HE22 . 16928 1 82 . 1 1 12 12 GLN C C 13 176.060 0.3 . 1 . . . . 11 Q C . 16928 1 83 . 1 1 12 12 GLN CA C 13 56.272 0.3 . 1 . . . . 11 Q CA . 16928 1 84 . 1 1 12 12 GLN CB C 13 29.666 0.3 . 1 . . . . 11 Q CB . 16928 1 85 . 1 1 12 12 GLN CG C 13 34.820 0.3 . 1 . . . . 11 Q CG . 16928 1 86 . 1 1 12 12 GLN N N 15 120.428 0.3 . 1 . . . . 11 Q N . 16928 1 87 . 1 1 12 12 GLN NE2 N 15 112.557 0.3 . 1 . . . . 11 Q NE2 . 16928 1 88 . 1 1 13 13 ASN H H 1 8.564 0.02 . 1 . . . . 12 N HN . 16928 1 89 . 1 1 13 13 ASN HA H 1 4.784 0.02 . 1 . . . . 12 N HA . 16928 1 90 . 1 1 13 13 ASN HB2 H 1 2.883 0.02 . 2 . . . . 12 N HB1 . 16928 1 91 . 1 1 13 13 ASN HD21 H 1 7.695 0.02 . 2 . . . . 12 N HD21 . 16928 1 92 . 1 1 13 13 ASN HD22 H 1 6.860 0.02 . 2 . . . . 12 N HD22 . 16928 1 93 . 1 1 13 13 ASN C C 13 176.805 0.3 . 1 . . . . 12 N C . 16928 1 94 . 1 1 13 13 ASN CA C 13 53.738 0.3 . 1 . . . . 12 N CA . 16928 1 95 . 1 1 13 13 ASN CB C 13 39.000 0.3 . 1 . . . . 12 N CB . 16928 1 96 . 1 1 13 13 ASN N N 15 120.259 0.3 . 1 . . . . 12 N N . 16928 1 97 . 1 1 13 13 ASN ND2 N 15 112.815 0.3 . 1 . . . . 12 N ND2 . 16928 1 98 . 1 1 14 14 THR H H 1 8.293 0.02 . 1 . . . . 13 T HN . 16928 1 99 . 1 1 14 14 THR HA H 1 4.321 0.02 . 1 . . . . 13 T HA . 16928 1 100 . 1 1 14 14 THR HG21 H 1 1.199 0.02 . 1 . . . . 13 T HG21 . 16928 1 101 . 1 1 14 14 THR HG22 H 1 1.199 0.02 . 1 . . . . 13 T HG21 . 16928 1 102 . 1 1 14 14 THR HG23 H 1 1.199 0.02 . 1 . . . . 13 T HG21 . 16928 1 103 . 1 1 14 14 THR C C 13 175.749 0.3 . 1 . . . . 13 T C . 16928 1 104 . 1 1 14 14 THR CA C 13 63.522 0.3 . 1 . . . . 13 T CA . 16928 1 105 . 1 1 14 14 THR CB C 13 69.939 0.3 . 1 . . . . 13 T CB . 16928 1 106 . 1 1 14 14 THR CG2 C 13 22.889 0.3 . 1 . . . . 13 T CG2 . 16928 1 107 . 1 1 14 14 THR N N 15 114.612 0.3 . 1 . . . . 13 T N . 16928 1 108 . 1 1 15 15 PHE H H 1 8.330 0.02 . 1 . . . . 14 F HN . 16928 1 109 . 1 1 15 15 PHE HA H 1 4.383 0.02 . 1 . . . . 14 F HA . 16928 1 110 . 1 1 15 15 PHE HB2 H 1 3.059 0.02 . 2 . . . . 14 F HB1 . 16928 1 111 . 1 1 15 15 PHE HB3 H 1 3.209 0.02 . 2 . . . . 14 F HB2 . 16928 1 112 . 1 1 15 15 PHE C C 13 177.616 0.3 . 1 . . . . 14 F C . 16928 1 113 . 1 1 15 15 PHE CA C 13 60.781 0.3 . 1 . . . . 14 F CA . 16928 1 114 . 1 1 15 15 PHE CB C 13 39.258 0.3 . 1 . . . . 14 F CB . 16928 1 115 . 1 1 15 15 PHE N N 15 123.300 0.3 . 1 . . . . 14 F N . 16928 1 116 . 1 1 16 16 LEU H H 1 8.091 0.02 . 1 . . . . 15 L HN . 16928 1 117 . 1 1 16 16 LEU HA H 1 3.813 0.02 . 1 . . . . 15 L HA . 16928 1 118 . 1 1 16 16 LEU HB2 H 1 1.543 0.02 . 2 . . . . 15 L HB1 . 16928 1 119 . 1 1 16 16 LEU HB3 H 1 1.738 0.02 . 2 . . . . 15 L HB2 . 16928 1 120 . 1 1 16 16 LEU HD11 H 1 0.822 0.02 . 4 . . . . 15 L HD11 . 16928 1 121 . 1 1 16 16 LEU HD12 H 1 0.822 0.02 . 4 . . . . 15 L HD11 . 16928 1 122 . 1 1 16 16 LEU HD13 H 1 0.822 0.02 . 4 . . . . 15 L HD11 . 16928 1 123 . 1 1 16 16 LEU C C 13 177.535 0.3 . 1 . . . . 15 L C . 16928 1 124 . 1 1 16 16 LEU CA C 13 58.072 0.3 . 1 . . . . 15 L CA . 16928 1 125 . 1 1 16 16 LEU CB C 13 42.049 0.3 . 1 . . . . 15 L CB . 16928 1 126 . 1 1 16 16 LEU CD1 C 13 26.788 0.3 . 2 . . . . 15 L CD1 . 16928 1 127 . 1 1 16 16 LEU CG C 13 25.186 0.3 . 1 . . . . 15 L CG . 16928 1 128 . 1 1 16 16 LEU N N 15 120.130 0.3 . 1 . . . . 15 L N . 16928 1 129 . 1 1 17 17 ASP H H 1 7.867 0.02 . 1 . . . . 16 D HN . 16928 1 130 . 1 1 17 17 ASP HA H 1 4.239 0.02 . 1 . . . . 16 D HA . 16928 1 131 . 1 1 17 17 ASP HB2 H 1 2.690 0.02 . 2 . . . . 16 D HB1 . 16928 1 132 . 1 1 17 17 ASP C C 13 178.415 0.3 . 1 . . . . 16 D C . 16928 1 133 . 1 1 17 17 ASP CA C 13 57.964 0.3 . 1 . . . . 16 D CA . 16928 1 134 . 1 1 17 17 ASP CB C 13 41.333 0.3 . 1 . . . . 16 D CB . 16928 1 135 . 1 1 17 17 ASP N N 15 117.041 0.3 . 1 . . . . 16 D N . 16928 1 136 . 1 1 18 18 THR H H 1 7.750 0.02 . 1 . . . . 17 T HN . 16928 1 137 . 1 1 18 18 THR HA H 1 4.258 0.02 . 1 . . . . 17 T HA . 16928 1 138 . 1 1 18 18 THR HB H 1 3.854 0.02 . 1 . . . . 17 T HB . 16928 1 139 . 1 1 18 18 THR C C 13 176.236 0.3 . 1 . . . . 17 T C . 16928 1 140 . 1 1 18 18 THR CA C 13 66.228 0.3 . 1 . . . . 17 T CA . 16928 1 141 . 1 1 18 18 THR CB C 13 69.009 0.3 . 1 . . . . 17 T CB . 16928 1 142 . 1 1 18 18 THR CG2 C 13 22.588 0.3 . 1 . . . . 17 T CG2 . 16928 1 143 . 1 1 18 18 THR N N 15 114.059 0.3 . 1 . . . . 17 T N . 16928 1 144 . 1 1 19 19 ILE H H 1 7.482 0.02 . 1 . . . . 18 I HN . 16928 1 145 . 1 1 19 19 ILE HA H 1 3.681 0.02 . 1 . . . . 18 I HA . 16928 1 146 . 1 1 19 19 ILE HB H 1 1.943 0.02 . 1 . . . . 18 I HB . 16928 1 147 . 1 1 19 19 ILE C C 13 177.568 0.3 . 1 . . . . 18 I C . 16928 1 148 . 1 1 19 19 ILE CA C 13 63.507 0.3 . 1 . . . . 18 I CA . 16928 1 149 . 1 1 19 19 ILE CB C 13 37.129 0.3 . 1 . . . . 18 I CB . 16928 1 150 . 1 1 19 19 ILE CD1 C 13 12.918 0.3 . 1 . . . . 18 I CD1 . 16928 1 151 . 1 1 19 19 ILE CG2 C 13 19.270 0.3 . 2 . . . . 18 I CG2 . 16928 1 152 . 1 1 19 19 ILE N N 15 122.944 0.3 . 1 . . . . 18 I N . 16928 1 153 . 1 1 20 20 ILE H H 1 8.222 0.02 . 1 . . . . 19 I HN . 16928 1 154 . 1 1 20 20 ILE HA H 1 3.442 0.02 . 1 . . . . 19 I HA . 16928 1 155 . 1 1 20 20 ILE HB H 1 1.693 0.02 . 1 . . . . 19 I HB . 16928 1 156 . 1 1 20 20 ILE HD11 H 1 0.184 0.02 . 1 . . . . 19 I HD11 . 16928 1 157 . 1 1 20 20 ILE HD12 H 1 0.184 0.02 . 1 . . . . 19 I HD11 . 16928 1 158 . 1 1 20 20 ILE HD13 H 1 0.184 0.02 . 1 . . . . 19 I HD11 . 16928 1 159 . 1 1 20 20 ILE C C 13 178.139 0.3 . 1 . . . . 19 I C . 16928 1 160 . 1 1 20 20 ILE CA C 13 66.678 0.3 . 1 . . . . 19 I CA . 16928 1 161 . 1 1 20 20 ILE CB C 13 38.821 0.3 . 1 . . . . 19 I CB . 16928 1 162 . 1 1 20 20 ILE CD1 C 13 15.221 0.3 . 1 . . . . 19 I CD1 . 16928 1 163 . 1 1 20 20 ILE CG1 C 13 31.344 0.3 . 2 . . . . 19 I CG1 . 16928 1 164 . 1 1 20 20 ILE CG2 C 13 18.817 0.3 . 2 . . . . 19 I CG2 . 16928 1 165 . 1 1 20 20 ILE N N 15 120.331 0.3 . 1 . . . . 19 I N . 16928 1 166 . 1 1 21 21 ARG H H 1 7.775 0.02 . 1 . . . . 20 R HN . 16928 1 167 . 1 1 21 21 ARG HA H 1 4.063 0.02 . 1 . . . . 20 R HA . 16928 1 168 . 1 1 21 21 ARG HB2 H 1 1.873 0.02 . 2 . . . . 20 R HB1 . 16928 1 169 . 1 1 21 21 ARG C C 13 179.062 0.3 . 1 . . . . 20 R C . 16928 1 170 . 1 1 21 21 ARG CA C 13 59.069 0.3 . 1 . . . . 20 R CA . 16928 1 171 . 1 1 21 21 ARG CB C 13 30.393 0.3 . 1 . . . . 20 R CB . 16928 1 172 . 1 1 21 21 ARG CD C 13 44.350 0.3 . 1 . . . . 20 R CD . 16928 1 173 . 1 1 21 21 ARG CG C 13 28.911 0.3 . 1 . . . . 20 R CG . 16928 1 174 . 1 1 21 21 ARG N N 15 115.990 0.3 . 1 . . . . 20 R N . 16928 1 175 . 1 1 22 22 LYS H H 1 7.598 0.02 . 1 . . . . 21 K HN . 16928 1 176 . 1 1 22 22 LYS HA H 1 3.991 0.02 . 1 . . . . 21 K HA . 16928 1 177 . 1 1 22 22 LYS HB2 H 1 1.757 0.02 . 2 . . . . 21 K HB1 . 16928 1 178 . 1 1 22 22 LYS C C 13 178.020 0.3 . 1 . . . . 21 K C . 16928 1 179 . 1 1 22 22 LYS CA C 13 58.735 0.3 . 1 . . . . 21 K CA . 16928 1 180 . 1 1 22 22 LYS CB C 13 32.668 0.3 . 1 . . . . 21 K CB . 16928 1 181 . 1 1 22 22 LYS CD C 13 30.389 0.3 . 1 . . . . 21 K CD . 16928 1 182 . 1 1 22 22 LYS CE C 13 42.721 0.3 . 1 . . . . 21 K CE . 16928 1 183 . 1 1 22 22 LYS CG C 13 25.606 0.3 . 1 . . . . 21 K CG . 16928 1 184 . 1 1 22 22 LYS N N 15 118.807 0.3 . 1 . . . . 21 K N . 16928 1 185 . 1 1 23 23 PHE H H 1 7.704 0.02 . 1 . . . . 22 F HN . 16928 1 186 . 1 1 23 23 PHE HA H 1 4.204 0.02 . 1 . . . . 22 F HA . 16928 1 187 . 1 1 23 23 PHE HB2 H 1 2.248 0.02 . 2 . . . . 22 F HB1 . 16928 1 188 . 1 1 23 23 PHE HB3 H 1 2.225 0.02 . 2 . . . . 22 F HB2 . 16928 1 189 . 1 1 23 23 PHE C C 13 176.777 0.3 . 1 . . . . 22 F C . 16928 1 190 . 1 1 23 23 PHE CA C 13 59.823 0.3 . 1 . . . . 22 F CA . 16928 1 191 . 1 1 23 23 PHE CB C 13 39.190 0.3 . 1 . . . . 22 F CB . 16928 1 192 . 1 1 23 23 PHE N N 15 117.078 0.3 . 1 . . . . 22 F N . 16928 1 193 . 1 1 24 24 GLU H H 1 8.279 0.02 . 1 . . . . 23 E HN . 16928 1 194 . 1 1 24 24 GLU HA H 1 4.645 0.02 . 1 . . . . 23 E HA . 16928 1 195 . 1 1 24 24 GLU HB2 H 1 2.283 0.02 . 2 . . . . 23 E HB1 . 16928 1 196 . 1 1 24 24 GLU C C 13 178.409 0.3 . 1 . . . . 23 E C . 16928 1 197 . 1 1 24 24 GLU CA C 13 58.262 0.3 . 1 . . . . 23 E CA . 16928 1 198 . 1 1 24 24 GLU CB C 13 30.276 0.3 . 1 . . . . 23 E CB . 16928 1 199 . 1 1 24 24 GLU CG C 13 37.055 0.3 . 1 . . . . 23 E CG . 16928 1 200 . 1 1 24 24 GLU N N 15 120.889 0.3 . 1 . . . . 23 E N . 16928 1 201 . 1 1 25 25 GLY H H 1 8.429 0.02 . 1 . . . . 24 G HN . 16928 1 202 . 1 1 25 25 GLY HA2 H 1 4.131 0.02 . 2 . . . . 24 G HA1 . 16928 1 203 . 1 1 25 25 GLY C C 13 174.470 0.3 . 1 . . . . 24 G C . 16928 1 204 . 1 1 25 25 GLY CA C 13 45.735 0.3 . 1 . . . . 24 G CA . 16928 1 205 . 1 1 25 25 GLY N N 15 109.444 0.3 . 1 . . . . 24 G N . 16928 1 206 . 1 1 26 26 GLN H H 1 7.980 0.02 . 1 . . . . 25 Q HN . 16928 1 207 . 1 1 26 26 GLN HA H 1 4.430 0.02 . 1 . . . . 25 Q HA . 16928 1 208 . 1 1 26 26 GLN HB2 H 1 2.336 0.02 . 2 . . . . 25 Q HB1 . 16928 1 209 . 1 1 26 26 GLN HB3 H 1 2.018 0.02 . 2 . . . . 25 Q HB2 . 16928 1 210 . 1 1 26 26 GLN HE21 H 1 7.253 0.02 . 2 . . . . 25 Q HE21 . 16928 1 211 . 1 1 26 26 GLN HE22 H 1 6.798 0.02 . 2 . . . . 25 Q HE22 . 16928 1 212 . 1 1 26 26 GLN C C 13 175.874 0.3 . 1 . . . . 25 Q C . 16928 1 213 . 1 1 26 26 GLN CA C 13 56.247 0.3 . 1 . . . . 25 Q CA . 16928 1 214 . 1 1 26 26 GLN CB C 13 29.614 0.3 . 1 . . . . 25 Q CB . 16928 1 215 . 1 1 26 26 GLN CG C 13 34.863 0.3 . 1 . . . . 25 Q CG . 16928 1 216 . 1 1 26 26 GLN N N 15 118.099 0.3 . 1 . . . . 25 Q N . 16928 1 217 . 1 1 26 26 GLN NE2 N 15 110.964 0.3 . 1 . . . . 25 Q NE2 . 16928 1 218 . 1 1 27 27 SER H H 1 8.669 0.02 . 1 . . . . 26 S HN . 16928 1 219 . 1 1 27 27 SER HA H 1 4.401 0.02 . 1 . . . . 26 S HA . 16928 1 220 . 1 1 27 27 SER HB2 H 1 4.132 0.02 . 2 . . . . 26 S HB1 . 16928 1 221 . 1 1 27 27 SER C C 13 174.609 0.3 . 1 . . . . 26 S C . 16928 1 222 . 1 1 27 27 SER CA C 13 58.798 0.3 . 1 . . . . 26 S CA . 16928 1 223 . 1 1 27 27 SER CB C 13 62.532 0.3 . 1 . . . . 26 S CB . 16928 1 224 . 1 1 27 27 SER N N 15 113.915 0.3 . 1 . . . . 26 S N . 16928 1 225 . 1 1 28 28 ARG H H 1 7.891 0.02 . 1 . . . . 27 R HN . 16928 1 226 . 1 1 28 28 ARG HA H 1 4.659 0.02 . 1 . . . . 27 R HA . 16928 1 227 . 1 1 28 28 ARG HB2 H 1 2.144 0.02 . 2 . . . . 27 R HB1 . 16928 1 228 . 1 1 28 28 ARG HD2 H 1 2.774 0.02 . 2 . . . . 27 R HD1 . 16928 1 229 . 1 1 28 28 ARG HD3 H 1 3.047 0.02 . 2 . . . . 27 R HD2 . 16928 1 230 . 1 1 28 28 ARG C C 13 177.157 0.3 . 1 . . . . 27 R C . 16928 1 231 . 1 1 28 28 ARG CA C 13 55.746 0.3 . 1 . . . . 27 R CA . 16928 1 232 . 1 1 28 28 ARG CB C 13 32.155 0.3 . 1 . . . . 27 R CB . 16928 1 233 . 1 1 28 28 ARG CD C 13 43.848 0.3 . 1 . . . . 27 R CD . 16928 1 234 . 1 1 28 28 ARG CG C 13 28.633 0.3 . 1 . . . . 27 R CG . 16928 1 235 . 1 1 28 28 ARG N N 15 118.973 0.3 . 1 . . . . 27 R N . 16928 1 236 . 1 1 29 29 LYS H H 1 9.467 0.02 . 1 . . . . 28 K HN . 16928 1 237 . 1 1 29 29 LYS HA H 1 5.208 0.02 . 1 . . . . 28 K HA . 16928 1 238 . 1 1 29 29 LYS HB2 H 1 1.595 0.02 . 2 . . . . 28 K HB2 . 16928 1 239 . 1 1 29 29 LYS HD2 H 1 1.944 0.02 . 2 . . . . 28 K HD1 . 16928 1 240 . 1 1 29 29 LYS HG2 H 1 1.416 0.02 . 2 . . . . 28 K HG1 . 16928 1 241 . 1 1 29 29 LYS C C 13 173.684 0.3 . 1 . . . . 28 K C . 16928 1 242 . 1 1 29 29 LYS CA C 13 56.463 0.3 . 1 . . . . 28 K CA . 16928 1 243 . 1 1 29 29 LYS CB C 13 32.975 0.3 . 1 . . . . 28 K CB . 16928 1 244 . 1 1 29 29 LYS CD C 13 31.625 0.3 . 1 . . . . 28 K CD . 16928 1 245 . 1 1 29 29 LYS CG C 13 26.345 0.3 . 1 . . . . 28 K CG . 16928 1 246 . 1 1 29 29 LYS N N 15 124.573 0.3 . 1 . . . . 28 K N . 16928 1 247 . 1 1 30 30 PHE H H 1 8.432 0.02 . 1 . . . . 29 F HN . 16928 1 248 . 1 1 30 30 PHE HA H 1 6.312 0.02 . 1 . . . . 29 F HA . 16928 1 249 . 1 1 30 30 PHE HB2 H 1 3.362 0.02 . 2 . . . . 29 F HB1 . 16928 1 250 . 1 1 30 30 PHE HB3 H 1 3.089 0.02 . 2 . . . . 29 F HB2 . 16928 1 251 . 1 1 30 30 PHE C C 13 171.772 0.3 . 1 . . . . 29 F C . 16928 1 252 . 1 1 30 30 PHE CA C 13 56.470 0.3 . 1 . . . . 29 F CA . 16928 1 253 . 1 1 30 30 PHE CB C 13 42.888 0.3 . 1 . . . . 29 F CB . 16928 1 254 . 1 1 30 30 PHE N N 15 119.946 0.3 . 1 . . . . 29 F N . 16928 1 255 . 1 1 31 31 ILE H H 1 8.650 0.02 . 1 . . . . 30 I HN . 16928 1 256 . 1 1 31 31 ILE HA H 1 4.927 0.02 . 1 . . . . 30 I HA . 16928 1 257 . 1 1 31 31 ILE HB H 1 1.937 0.02 . 1 . . . . 30 I HB . 16928 1 258 . 1 1 31 31 ILE HD11 H 1 -0.045 0.02 . 1 . . . . 30 I HD11 . 16928 1 259 . 1 1 31 31 ILE HD12 H 1 -0.045 0.02 . 1 . . . . 30 I HD11 . 16928 1 260 . 1 1 31 31 ILE HD13 H 1 -0.045 0.02 . 1 . . . . 30 I HD11 . 16928 1 261 . 1 1 31 31 ILE HG12 H 1 1.168 0.02 . 9 . . . . 30 I HG12 . 16928 1 262 . 1 1 31 31 ILE HG21 H 1 0.724 0.02 . 4 . . . . 30 I HG21 . 16928 1 263 . 1 1 31 31 ILE HG22 H 1 0.724 0.02 . 4 . . . . 30 I HG21 . 16928 1 264 . 1 1 31 31 ILE HG23 H 1 0.724 0.02 . 4 . . . . 30 I HG21 . 16928 1 265 . 1 1 31 31 ILE C C 13 174.258 0.3 . 1 . . . . 30 I C . 16928 1 266 . 1 1 31 31 ILE CA C 13 58.499 0.3 . 1 . . . . 30 I CA . 16928 1 267 . 1 1 31 31 ILE CB C 13 41.447 0.3 . 1 . . . . 30 I CB . 16928 1 268 . 1 1 31 31 ILE CD1 C 13 14.576 0.3 . 1 . . . . 30 I CD1 . 16928 1 269 . 1 1 31 31 ILE CG1 C 13 27.474 0.3 . 2 . . . . 30 I CG1 . 16928 1 270 . 1 1 31 31 ILE CG2 C 13 18.009 0.3 . 2 . . . . 30 I CG2 . 16928 1 271 . 1 1 31 31 ILE N N 15 111.413 0.3 . 1 . . . . 30 I N . 16928 1 272 . 1 1 32 32 ILE H H 1 8.937 0.02 . 1 . . . . 31 I HN . 16928 1 273 . 1 1 32 32 ILE HA H 1 5.247 0.02 . 1 . . . . 31 I HA . 16928 1 274 . 1 1 32 32 ILE HB H 1 1.752 0.02 . 1 . . . . 31 I HB . 16928 1 275 . 1 1 32 32 ILE HD11 H 1 0.933 0.02 . 1 . . . . 31 I HD11 . 16928 1 276 . 1 1 32 32 ILE HD12 H 1 0.933 0.02 . 1 . . . . 31 I HD11 . 16928 1 277 . 1 1 32 32 ILE HD13 H 1 0.933 0.02 . 1 . . . . 31 I HD11 . 16928 1 278 . 1 1 32 32 ILE HG12 H 1 1.330 0.02 . 9 . . . . 31 I HG11 . 16928 1 279 . 1 1 32 32 ILE C C 13 174.270 0.3 . 1 . . . . 31 I C . 16928 1 280 . 1 1 32 32 ILE CA C 13 60.089 0.3 . 1 . . . . 31 I CA . 16928 1 281 . 1 1 32 32 ILE CB C 13 40.792 0.3 . 1 . . . . 31 I CB . 16928 1 282 . 1 1 32 32 ILE CD1 C 13 15.882 0.3 . 1 . . . . 31 I CD1 . 16928 1 283 . 1 1 32 32 ILE CG1 C 13 28.715 0.3 . 2 . . . . 31 I CG1 . 16928 1 284 . 1 1 32 32 ILE CG2 C 13 19.313 0.3 . 2 . . . . 31 I CG2 . 16928 1 285 . 1 1 32 32 ILE N N 15 119.546 0.3 . 1 . . . . 31 I N . 16928 1 286 . 1 1 33 33 ALA H H 1 9.729 0.02 . 1 . . . . 32 A HN . 16928 1 287 . 1 1 33 33 ALA HA H 1 5.387 0.02 . 1 . . . . 32 A HA . 16928 1 288 . 1 1 33 33 ALA HB1 H 1 1.378 0.02 . 1 . . . . 32 A HB1 . 16928 1 289 . 1 1 33 33 ALA HB2 H 1 1.378 0.02 . 1 . . . . 32 A HB1 . 16928 1 290 . 1 1 33 33 ALA HB3 H 1 1.378 0.02 . 1 . . . . 32 A HB1 . 16928 1 291 . 1 1 33 33 ALA C C 13 176.578 0.3 . 1 . . . . 32 A C . 16928 1 292 . 1 1 33 33 ALA CA C 13 49.871 0.3 . 1 . . . . 32 A CA . 16928 1 293 . 1 1 33 33 ALA CB C 13 25.425 0.3 . 1 . . . . 32 A CB . 16928 1 294 . 1 1 33 33 ALA N N 15 130.658 0.3 . 1 . . . . 32 A N . 16928 1 295 . 1 1 34 34 ASN H H 1 8.672 0.02 . 1 . . . . 33 N HN . 16928 1 296 . 1 1 34 34 ASN HA H 1 4.782 0.02 . 1 . . . . 33 N HA . 16928 1 297 . 1 1 34 34 ASN HB2 H 1 3.135 0.02 . 2 . . . . 33 N HB1 . 16928 1 298 . 1 1 34 34 ASN HB3 H 1 2.938 0.02 . 2 . . . . 33 N HB2 . 16928 1 299 . 1 1 34 34 ASN C C 13 174.020 0.3 . 1 . . . . 33 N C . 16928 1 300 . 1 1 34 34 ASN CA C 13 52.799 0.3 . 1 . . . . 33 N CA . 16928 1 301 . 1 1 34 34 ASN CB C 13 39.264 0.3 . 1 . . . . 33 N CB . 16928 1 302 . 1 1 34 34 ASN N N 15 118.879 0.3 . 1 . . . . 33 N N . 16928 1 303 . 1 1 35 35 ALA H H 1 7.626 0.02 . 1 . . . . 34 A HN . 16928 1 304 . 1 1 35 35 ALA HA H 1 4.789 0.02 . 1 . . . . 34 A HA . 16928 1 305 . 1 1 35 35 ALA HB1 H 1 1.152 0.02 . 1 . . . . 34 A HB1 . 16928 1 306 . 1 1 35 35 ALA HB2 H 1 1.152 0.02 . 1 . . . . 34 A HB1 . 16928 1 307 . 1 1 35 35 ALA HB3 H 1 1.152 0.02 . 1 . . . . 34 A HB1 . 16928 1 308 . 1 1 35 35 ALA C C 13 177.572 0.3 . 1 . . . . 34 A C . 16928 1 309 . 1 1 35 35 ALA CA C 13 52.580 0.3 . 1 . . . . 34 A CA . 16928 1 310 . 1 1 35 35 ALA CB C 13 20.584 0.3 . 1 . . . . 34 A CB . 16928 1 311 . 1 1 35 35 ALA N N 15 123.416 0.3 . 1 . . . . 34 A N . 16928 1 312 . 1 1 36 36 ARG H H 1 8.230 0.02 . 1 . . . . 35 R HN . 16928 1 313 . 1 1 36 36 ARG HA H 1 4.423 0.02 . 1 . . . . 35 R HA . 16928 1 314 . 1 1 36 36 ARG HB2 H 1 2.072 0.02 . 2 . . . . 35 R HB1 . 16928 1 315 . 1 1 36 36 ARG HG2 H 1 1.870 0.02 . 2 . . . . 35 R HG1 . 16928 1 316 . 1 1 36 36 ARG C C 13 176.188 0.3 . 1 . . . . 35 R C . 16928 1 317 . 1 1 36 36 ARG CA C 13 56.253 0.3 . 1 . . . . 35 R CA . 16928 1 318 . 1 1 36 36 ARG CB C 13 30.126 0.3 . 1 . . . . 35 R CB . 16928 1 319 . 1 1 36 36 ARG CD C 13 44.825 0.3 . 1 . . . . 35 R CD . 16928 1 320 . 1 1 36 36 ARG CG C 13 28.423 0.3 . 1 . . . . 35 R CG . 16928 1 321 . 1 1 36 36 ARG N N 15 116.196 0.3 . 1 . . . . 35 R N . 16928 1 322 . 1 1 37 37 VAL H H 1 7.334 0.02 . 1 . . . . 36 V HN . 16928 1 323 . 1 1 37 37 VAL HA H 1 4.499 0.02 . 1 . . . . 36 V HA . 16928 1 324 . 1 1 37 37 VAL HB H 1 2.269 0.02 . 1 . . . . 36 V HB . 16928 1 325 . 1 1 37 37 VAL HG21 H 1 0.988 0.02 . 4 . . . . 36 V HG21 . 16928 1 326 . 1 1 37 37 VAL HG22 H 1 0.988 0.02 . 4 . . . . 36 V HG21 . 16928 1 327 . 1 1 37 37 VAL HG23 H 1 0.988 0.02 . 4 . . . . 36 V HG21 . 16928 1 328 . 1 1 37 37 VAL C C 13 176.839 0.3 . 1 . . . . 36 V C . 16928 1 329 . 1 1 37 37 VAL CA C 13 60.722 0.3 . 1 . . . . 36 V CA . 16928 1 330 . 1 1 37 37 VAL CB C 13 34.131 0.3 . 1 . . . . 36 V CB . 16928 1 331 . 1 1 37 37 VAL CG1 C 13 22.471 0.3 . 2 . . . . 36 V CG1 . 16928 1 332 . 1 1 37 37 VAL CG2 C 13 20.823 0.3 . 2 . . . . 36 V CG2 . 16928 1 333 . 1 1 37 37 VAL N N 15 114.220 0.3 . 1 . . . . 36 V N . 16928 1 334 . 1 1 38 38 GLU H H 1 8.755 0.02 . 1 . . . . 37 E HN . 16928 1 335 . 1 1 38 38 GLU HA H 1 4.099 0.02 . 1 . . . . 37 E HA . 16928 1 336 . 1 1 38 38 GLU HB2 H 1 2.078 0.02 . 2 . . . . 37 E HB1 . 16928 1 337 . 1 1 38 38 GLU C C 13 176.560 0.3 . 1 . . . . 37 E C . 16928 1 338 . 1 1 38 38 GLU CA C 13 58.682 0.3 . 1 . . . . 37 E CA . 16928 1 339 . 1 1 38 38 GLU CB C 13 29.758 0.3 . 1 . . . . 37 E CB . 16928 1 340 . 1 1 38 38 GLU CG C 13 37.138 0.3 . 1 . . . . 37 E CG . 16928 1 341 . 1 1 38 38 GLU N N 15 122.951 0.3 . 1 . . . . 37 E N . 16928 1 342 . 1 1 39 39 ASN H H 1 8.197 0.02 . 1 . . . . 38 N HN . 16928 1 343 . 1 1 39 39 ASN HA H 1 4.645 0.02 . 1 . . . . 38 N HA . 16928 1 344 . 1 1 39 39 ASN HB2 H 1 3.145 0.02 . 2 . . . . 38 N HB1 . 16928 1 345 . 1 1 39 39 ASN HB3 H 1 2.973 0.02 . 2 . . . . 38 N HB2 . 16928 1 346 . 1 1 39 39 ASN HD21 H 1 7.521 0.02 . 2 . . . . 38 N HD21 . 16928 1 347 . 1 1 39 39 ASN HD22 H 1 6.874 0.02 . 2 . . . . 38 N HD22 . 16928 1 348 . 1 1 39 39 ASN C C 13 174.544 0.3 . 1 . . . . 38 N C . 16928 1 349 . 1 1 39 39 ASN CA C 13 53.257 0.3 . 1 . . . . 38 N CA . 16928 1 350 . 1 1 39 39 ASN CB C 13 38.139 0.3 . 1 . . . . 38 N CB . 16928 1 351 . 1 1 39 39 ASN N N 15 114.945 0.3 . 1 . . . . 38 N N . 16928 1 352 . 1 1 39 39 ASN ND2 N 15 111.203 0.3 . 1 . . . . 38 N ND2 . 16928 1 353 . 1 1 40 40 CYS H H 1 8.327 0.02 . 1 . . . . 39 C HN . 16928 1 354 . 1 1 40 40 CYS HA H 1 4.566 0.02 . 1 . . . . 39 C HA . 16928 1 355 . 1 1 40 40 CYS C C 13 174.434 0.3 . 1 . . . . 39 C C . 16928 1 356 . 1 1 40 40 CYS CA C 13 59.302 0.3 . 1 . . . . 39 C CA . 16928 1 357 . 1 1 40 40 CYS CB C 13 26.969 0.3 . 1 . . . . 39 C CB . 16928 1 358 . 1 1 40 40 CYS N N 15 117.477 0.3 . 1 . . . . 39 C N . 16928 1 359 . 1 1 41 41 ALA HA H 1 4.126 0.02 . 1 . . . . 40 A HA . 16928 1 360 . 1 1 41 41 ALA HB1 H 1 1.225 0.02 . 1 . . . . 40 A HB1 . 16928 1 361 . 1 1 41 41 ALA HB2 H 1 1.225 0.02 . 1 . . . . 40 A HB1 . 16928 1 362 . 1 1 41 41 ALA HB3 H 1 1.225 0.02 . 1 . . . . 40 A HB1 . 16928 1 363 . 1 1 41 41 ALA C C 13 177.729 0.3 . 1 . . . . 40 A C . 16928 1 364 . 1 1 41 41 ALA CA C 13 52.390 0.3 . 1 . . . . 40 A CA . 16928 1 365 . 1 1 41 41 ALA CB C 13 20.914 0.3 . 1 . . . . 40 A CB . 16928 1 366 . 1 1 42 42 VAL H H 1 8.640 0.02 . 1 . . . . 41 V HN . 16928 1 367 . 1 1 42 42 VAL HA H 1 3.973 0.02 . 1 . . . . 41 V HA . 16928 1 368 . 1 1 42 42 VAL HB H 1 2.261 0.02 . 1 . . . . 41 V HB . 16928 1 369 . 1 1 42 42 VAL C C 13 177.206 0.3 . 1 . . . . 41 V C . 16928 1 370 . 1 1 42 42 VAL CA C 13 65.107 0.3 . 1 . . . . 41 V CA . 16928 1 371 . 1 1 42 42 VAL CB C 13 32.607 0.3 . 1 . . . . 41 V CB . 16928 1 372 . 1 1 42 42 VAL CG1 C 13 23.667 0.3 . 2 . . . . 41 V CG1 . 16928 1 373 . 1 1 42 42 VAL N N 15 120.042 0.3 . 1 . . . . 41 V N . 16928 1 374 . 1 1 43 43 ILE H H 1 9.233 0.02 . 1 . . . . 42 I HN . 16928 1 375 . 1 1 43 43 ILE HA H 1 4.728 0.02 . 1 . . . . 42 I HA . 16928 1 376 . 1 1 43 43 ILE HB H 1 2.213 0.02 . 1 . . . . 42 I HB . 16928 1 377 . 1 1 43 43 ILE HD11 H 1 1.067 0.02 . 1 . . . . 42 I HD11 . 16928 1 378 . 1 1 43 43 ILE HD12 H 1 1.067 0.02 . 1 . . . . 42 I HD11 . 16928 1 379 . 1 1 43 43 ILE HD13 H 1 1.067 0.02 . 1 . . . . 42 I HD11 . 16928 1 380 . 1 1 43 43 ILE HG12 H 1 1.339 0.02 . 9 . . . . 42 I HG12 . 16928 1 381 . 1 1 43 43 ILE C C 13 175.380 0.3 . 1 . . . . 42 I C . 16928 1 382 . 1 1 43 43 ILE CA C 13 61.177 0.3 . 1 . . . . 42 I CA . 16928 1 383 . 1 1 43 43 ILE CB C 13 40.059 0.3 . 1 . . . . 42 I CB . 16928 1 384 . 1 1 43 43 ILE CD1 C 13 15.137 0.3 . 1 . . . . 42 I CD1 . 16928 1 385 . 1 1 43 43 ILE CG1 C 13 27.240 0.3 . 2 . . . . 42 I CG1 . 16928 1 386 . 1 1 43 43 ILE CG2 C 13 19.769 0.3 . 2 . . . . 42 I CG2 . 16928 1 387 . 1 1 43 43 ILE N N 15 121.390 0.3 . 1 . . . . 42 I N . 16928 1 388 . 1 1 44 44 TYR H H 1 7.830 0.02 . 1 . . . . 43 Y HN . 16928 1 389 . 1 1 44 44 TYR HA H 1 4.649 0.02 . 1 . . . . 43 Y HA . 16928 1 390 . 1 1 44 44 TYR HB2 H 1 3.352 0.02 . 2 . . . . 43 Y HB1 . 16928 1 391 . 1 1 44 44 TYR HB3 H 1 2.449 0.02 . 2 . . . . 43 Y HB2 . 16928 1 392 . 1 1 44 44 TYR C C 13 172.774 0.3 . 1 . . . . 43 Y C . 16928 1 393 . 1 1 44 44 TYR CA C 13 59.339 0.3 . 1 . . . . 43 Y CA . 16928 1 394 . 1 1 44 44 TYR CB C 13 42.482 0.3 . 1 . . . . 43 Y CB . 16928 1 395 . 1 1 44 44 TYR N N 15 121.417 0.3 . 1 . . . . 43 Y N . 16928 1 396 . 1 1 45 45 CYS H H 1 7.817 0.02 . 1 . . . . 44 C HN . 16928 1 397 . 1 1 45 45 CYS HA H 1 4.811 0.02 . 1 . . . . 44 C HA . 16928 1 398 . 1 1 45 45 CYS HB2 H 1 2.613 0.02 . 2 . . . . 44 C HB1 . 16928 1 399 . 1 1 45 45 CYS C C 13 171.411 0.3 . 1 . . . . 44 C C . 16928 1 400 . 1 1 45 45 CYS CA C 13 54.336 0.3 . 1 . . . . 44 C CA . 16928 1 401 . 1 1 45 45 CYS CB C 13 32.011 0.3 . 1 . . . . 44 C CB . 16928 1 402 . 1 1 45 45 CYS N N 15 123.546 0.3 . 1 . . . . 44 C N . 16928 1 403 . 1 1 46 46 ASN H H 1 7.987 0.02 . 1 . . . . 45 N HN . 16928 1 404 . 1 1 46 46 ASN HA H 1 4.538 0.02 . 1 . . . . 45 N HA . 16928 1 405 . 1 1 46 46 ASN HB2 H 1 2.026 0.02 . 2 . . . . 45 N HB1 . 16928 1 406 . 1 1 46 46 ASN HD21 H 1 7.755 0.02 . 2 . . . . 45 N HD21 . 16928 1 407 . 1 1 46 46 ASN HD22 H 1 7.226 0.02 . 2 . . . . 45 N HD22 . 16928 1 408 . 1 1 46 46 ASN C C 13 174.111 0.3 . 1 . . . . 45 N C . 16928 1 409 . 1 1 46 46 ASN CA C 13 50.749 0.3 . 1 . . . . 45 N CA . 16928 1 410 . 1 1 46 46 ASN CB C 13 39.764 0.3 . 1 . . . . 45 N CB . 16928 1 411 . 1 1 46 46 ASN N N 15 122.925 0.3 . 1 . . . . 45 N N . 16928 1 412 . 1 1 46 46 ASN ND2 N 15 112.173 0.3 . 1 . . . . 45 N ND2 . 16928 1 413 . 1 1 47 47 ASP H H 1 9.176 0.02 . 1 . . . . 46 D HN . 16928 1 414 . 1 1 47 47 ASP HA H 1 4.321 0.02 . 1 . . . . 46 D HA . 16928 1 415 . 1 1 47 47 ASP HB2 H 1 2.752 0.02 . 2 . . . . 46 D HB1 . 16928 1 416 . 1 1 47 47 ASP C C 13 179.224 0.3 . 1 . . . . 46 D C . 16928 1 417 . 1 1 47 47 ASP CA C 13 57.899 0.3 . 1 . . . . 46 D CA . 16928 1 418 . 1 1 47 47 ASP CB C 13 39.647 0.3 . 1 . . . . 46 D CB . 16928 1 419 . 1 1 47 47 ASP N N 15 121.348 0.3 . 1 . . . . 46 D N . 16928 1 420 . 1 1 48 48 GLY H H 1 7.981 0.02 . 1 . . . . 47 G HN . 16928 1 421 . 1 1 48 48 GLY HA2 H 1 4.058 0.02 . 2 . . . . 47 G HA1 . 16928 1 422 . 1 1 48 48 GLY C C 13 176.193 0.3 . 1 . . . . 47 G C . 16928 1 423 . 1 1 48 48 GLY CA C 13 47.414 0.3 . 1 . . . . 47 G CA . 16928 1 424 . 1 1 48 48 GLY N N 15 105.495 0.3 . 1 . . . . 47 G N . 16928 1 425 . 1 1 49 49 PHE H H 1 8.204 0.02 . 1 . . . . 48 F HN . 16928 1 426 . 1 1 49 49 PHE HA H 1 3.909 0.02 . 1 . . . . 48 F HA . 16928 1 427 . 1 1 49 49 PHE HB2 H 1 3.147 0.02 . 2 . . . . 48 F HB1 . 16928 1 428 . 1 1 49 49 PHE C C 13 176.624 0.3 . 1 . . . . 48 F C . 16928 1 429 . 1 1 49 49 PHE CA C 13 63.011 0.3 . 1 . . . . 48 F CA . 16928 1 430 . 1 1 49 49 PHE CB C 13 39.517 0.3 . 1 . . . . 48 F CB . 16928 1 431 . 1 1 49 49 PHE N N 15 123.987 0.3 . 1 . . . . 48 F N . 16928 1 432 . 1 1 50 50 CYS H H 1 7.435 0.02 . 1 . . . . 49 C HN . 16928 1 433 . 1 1 50 50 CYS HA H 1 3.972 0.02 . 1 . . . . 49 C HA . 16928 1 434 . 1 1 50 50 CYS HB2 H 1 3.290 0.02 . 2 . . . . 49 C HB1 . 16928 1 435 . 1 1 50 50 CYS HB3 H 1 2.929 0.02 . 2 . . . . 49 C HB2 . 16928 1 436 . 1 1 50 50 CYS C C 13 177.426 0.3 . 1 . . . . 49 C C . 16928 1 437 . 1 1 50 50 CYS CA C 13 63.859 0.3 . 1 . . . . 49 C CA . 16928 1 438 . 1 1 50 50 CYS CB C 13 27.716 0.3 . 1 . . . . 49 C CB . 16928 1 439 . 1 1 50 50 CYS N N 15 119.778 0.3 . 1 . . . . 49 C N . 16928 1 440 . 1 1 51 51 GLU H H 1 8.283 0.02 . 1 . . . . 50 E HN . 16928 1 441 . 1 1 51 51 GLU HA H 1 3.876 0.02 . 1 . . . . 50 E HA . 16928 1 442 . 1 1 51 51 GLU HB2 H 1 2.028 0.02 . 2 . . . . 50 E HB1 . 16928 1 443 . 1 1 51 51 GLU HG2 H 1 1.966 0.02 . 2 . . . . 50 E HG1 . 16928 1 444 . 1 1 51 51 GLU C C 13 178.117 0.3 . 1 . . . . 50 E C . 16928 1 445 . 1 1 51 51 GLU CA C 13 58.515 0.3 . 1 . . . . 50 E CA . 16928 1 446 . 1 1 51 51 GLU CB C 13 29.783 0.3 . 1 . . . . 50 E CB . 16928 1 447 . 1 1 51 51 GLU CG C 13 37.113 0.3 . 1 . . . . 50 E CG . 16928 1 448 . 1 1 51 51 GLU N N 15 119.468 0.3 . 1 . . . . 50 E N . 16928 1 449 . 1 1 52 52 LEU H H 1 7.568 0.02 . 1 . . . . 51 L HN . 16928 1 450 . 1 1 52 52 LEU HA H 1 3.936 0.02 . 1 . . . . 51 L HA . 16928 1 451 . 1 1 52 52 LEU HB2 H 1 1.844 0.02 . 2 . . . . 51 L HB1 . 16928 1 452 . 1 1 52 52 LEU HB3 H 1 1.450 0.02 . 2 . . . . 51 L HB2 . 16928 1 453 . 1 1 52 52 LEU HD11 H 1 0.648 0.02 . 4 . . . . 51 L HD11 . 16928 1 454 . 1 1 52 52 LEU HD12 H 1 0.648 0.02 . 4 . . . . 51 L HD11 . 16928 1 455 . 1 1 52 52 LEU HD13 H 1 0.648 0.02 . 4 . . . . 51 L HD11 . 16928 1 456 . 1 1 52 52 LEU HD21 H 1 0.278 0.02 . 4 . . . . 51 L HD21 . 16928 1 457 . 1 1 52 52 LEU HD22 H 1 0.278 0.02 . 4 . . . . 51 L HD21 . 16928 1 458 . 1 1 52 52 LEU HD23 H 1 0.278 0.02 . 4 . . . . 51 L HD21 . 16928 1 459 . 1 1 52 52 LEU C C 13 176.153 0.3 . 1 . . . . 51 L C . 16928 1 460 . 1 1 52 52 LEU CA C 13 57.587 0.3 . 1 . . . . 51 L CA . 16928 1 461 . 1 1 52 52 LEU CB C 13 41.937 0.3 . 1 . . . . 51 L CB . 16928 1 462 . 1 1 52 52 LEU CD1 C 13 26.673 0.3 . 2 . . . . 51 L CD1 . 16928 1 463 . 1 1 52 52 LEU CD2 C 13 24.533 0.3 . 2 . . . . 51 L CD2 . 16928 1 464 . 1 1 52 52 LEU CG C 13 27.382 0.3 . 1 . . . . 51 L CG . 16928 1 465 . 1 1 52 52 LEU N N 15 119.974 0.3 . 1 . . . . 51 L N . 16928 1 466 . 1 1 53 53 CYS H H 1 7.300 0.02 . 1 . . . . 52 C HN . 16928 1 467 . 1 1 53 53 CYS HA H 1 4.630 0.02 . 1 . . . . 52 C HA . 16928 1 468 . 1 1 53 53 CYS HB2 H 1 3.098 0.02 . 2 . . . . 52 C HB1 . 16928 1 469 . 1 1 53 53 CYS HB3 H 1 2.329 0.02 . 2 . . . . 52 C HB2 . 16928 1 470 . 1 1 53 53 CYS C C 13 174.176 0.3 . 1 . . . . 52 C C . 16928 1 471 . 1 1 53 53 CYS CA C 13 57.809 0.3 . 1 . . . . 52 C CA . 16928 1 472 . 1 1 53 53 CYS CB C 13 29.848 0.3 . 1 . . . . 52 C CB . 16928 1 473 . 1 1 53 53 CYS N N 15 107.072 0.3 . 1 . . . . 52 C N . 16928 1 474 . 1 1 54 54 GLY H H 1 8.014 0.02 . 1 . . . . 53 G HN . 16928 1 475 . 1 1 54 54 GLY HA2 H 1 4.306 0.02 . 2 . . . . 53 G HA1 . 16928 1 476 . 1 1 54 54 GLY HA3 H 1 3.664 0.02 . 2 . . . . 53 G HA2 . 16928 1 477 . 1 1 54 54 GLY C C 13 173.254 0.3 . 1 . . . . 53 G C . 16928 1 478 . 1 1 54 54 GLY CA C 13 46.059 0.3 . 1 . . . . 53 G CA . 16928 1 479 . 1 1 54 54 GLY N N 15 111.027 0.3 . 1 . . . . 53 G N . 16928 1 480 . 1 1 55 55 TYR H H 1 7.494 0.02 . 1 . . . . 54 Y HN . 16928 1 481 . 1 1 55 55 TYR HA H 1 4.397 0.02 . 1 . . . . 54 Y HA . 16928 1 482 . 1 1 55 55 TYR C C 13 174.094 0.3 . 1 . . . . 54 Y C . 16928 1 483 . 1 1 55 55 TYR CA C 13 57.795 0.3 . 1 . . . . 54 Y CA . 16928 1 484 . 1 1 55 55 TYR CB C 13 39.792 0.3 . 1 . . . . 54 Y CB . 16928 1 485 . 1 1 55 55 TYR N N 15 119.039 0.3 . 1 . . . . 54 Y N . 16928 1 486 . 1 1 56 56 SER H H 1 8.784 0.02 . 1 . . . . 55 S HN . 16928 1 487 . 1 1 56 56 SER HA H 1 4.340 0.02 . 1 . . . . 55 S HA . 16928 1 488 . 1 1 56 56 SER HB2 H 1 3.437 0.02 . 2 . . . . 55 S HB1 . 16928 1 489 . 1 1 56 56 SER HB3 H 1 3.641 0.02 . 2 . . . . 55 S HB2 . 16928 1 490 . 1 1 56 56 SER C C 13 175.316 0.3 . 1 . . . . 55 S C . 16928 1 491 . 1 1 56 56 SER CA C 13 57.672 0.3 . 1 . . . . 55 S CA . 16928 1 492 . 1 1 56 56 SER CB C 13 66.077 0.3 . 1 . . . . 55 S CB . 16928 1 493 . 1 1 56 56 SER N N 15 116.204 0.3 . 1 . . . . 55 S N . 16928 1 494 . 1 1 57 57 ARG H H 1 8.852 0.02 . 1 . . . . 56 R HN . 16928 1 495 . 1 1 57 57 ARG HA H 1 3.693 0.02 . 1 . . . . 56 R HA . 16928 1 496 . 1 1 57 57 ARG HB2 H 1 1.744 0.02 . 2 . . . . 56 R HB1 . 16928 1 497 . 1 1 57 57 ARG HG2 H 1 1.332 0.02 . 2 . . . . 56 R HG1 . 16928 1 498 . 1 1 57 57 ARG C C 13 178.031 0.3 . 1 . . . . 56 R C . 16928 1 499 . 1 1 57 57 ARG CA C 13 60.546 0.3 . 1 . . . . 56 R CA . 16928 1 500 . 1 1 57 57 ARG CB C 13 29.895 0.3 . 1 . . . . 56 R CB . 16928 1 501 . 1 1 57 57 ARG CD C 13 43.937 0.3 . 1 . . . . 56 R CD . 16928 1 502 . 1 1 57 57 ARG N N 15 123.092 0.3 . 1 . . . . 56 R N . 16928 1 503 . 1 1 58 58 ALA H H 1 8.219 0.02 . 1 . . . . 57 A HN . 16928 1 504 . 1 1 58 58 ALA HA H 1 4.030 0.02 . 1 . . . . 57 A HA . 16928 1 505 . 1 1 58 58 ALA HB1 H 1 1.379 0.02 . 1 . . . . 57 A HB1 . 16928 1 506 . 1 1 58 58 ALA HB2 H 1 1.379 0.02 . 1 . . . . 57 A HB1 . 16928 1 507 . 1 1 58 58 ALA HB3 H 1 1.379 0.02 . 1 . . . . 57 A HB1 . 16928 1 508 . 1 1 58 58 ALA C C 13 179.648 0.3 . 1 . . . . 57 A C . 16928 1 509 . 1 1 58 58 ALA CA C 13 54.574 0.3 . 1 . . . . 57 A CA . 16928 1 510 . 1 1 58 58 ALA CB C 13 18.632 0.3 . 1 . . . . 57 A CB . 16928 1 511 . 1 1 58 58 ALA N N 15 118.294 0.3 . 1 . . . . 57 A N . 16928 1 512 . 1 1 59 59 GLU H H 1 7.537 0.02 . 1 . . . . 58 E HN . 16928 1 513 . 1 1 59 59 GLU HA H 1 4.028 0.02 . 1 . . . . 58 E HA . 16928 1 514 . 1 1 59 59 GLU HB2 H 1 2.502 0.02 . 2 . . . . 58 E HB1 . 16928 1 515 . 1 1 59 59 GLU HB3 H 1 2.028 0.02 . 2 . . . . 58 E HB2 . 16928 1 516 . 1 1 59 59 GLU C C 13 175.787 0.3 . 1 . . . . 58 E C . 16928 1 517 . 1 1 59 59 GLU CA C 13 57.592 0.3 . 1 . . . . 58 E CA . 16928 1 518 . 1 1 59 59 GLU CB C 13 31.420 0.3 . 1 . . . . 58 E CB . 16928 1 519 . 1 1 59 59 GLU CG C 13 38.920 0.3 . 1 . . . . 58 E CG . 16928 1 520 . 1 1 59 59 GLU N N 15 115.726 0.3 . 1 . . . . 58 E N . 16928 1 521 . 1 1 60 60 VAL H H 1 7.418 0.02 . 1 . . . . 59 V HN . 16928 1 522 . 1 1 60 60 VAL HA H 1 3.381 0.02 . 1 . . . . 59 V HA . 16928 1 523 . 1 1 60 60 VAL HB H 1 2.064 0.02 . 1 . . . . 59 V HB . 16928 1 524 . 1 1 60 60 VAL HG11 H 1 0.841 0.02 . 4 . . . . 59 V HG11 . 16928 1 525 . 1 1 60 60 VAL HG12 H 1 0.841 0.02 . 4 . . . . 59 V HG11 . 16928 1 526 . 1 1 60 60 VAL HG13 H 1 0.841 0.02 . 4 . . . . 59 V HG11 . 16928 1 527 . 1 1 60 60 VAL C C 13 175.765 0.3 . 1 . . . . 59 V C . 16928 1 528 . 1 1 60 60 VAL CA C 13 64.277 0.3 . 1 . . . . 59 V CA . 16928 1 529 . 1 1 60 60 VAL CB C 13 34.118 0.3 . 1 . . . . 59 V CB . 16928 1 530 . 1 1 60 60 VAL CG1 C 13 23.251 0.3 . 2 . . . . 59 V CG1 . 16928 1 531 . 1 1 60 60 VAL N N 15 118.742 0.3 . 1 . . . . 59 V N . 16928 1 532 . 1 1 61 61 MET H H 1 7.719 0.02 . 1 . . . . 60 M HN . 16928 1 533 . 1 1 61 61 MET HA H 1 3.889 0.02 . 1 . . . . 60 M HA . 16928 1 534 . 1 1 61 61 MET HB2 H 1 1.964 0.02 . 2 . . . . 60 M HB1 . 16928 1 535 . 1 1 61 61 MET C C 13 176.937 0.3 . 1 . . . . 60 M C . 16928 1 536 . 1 1 61 61 MET CA C 13 56.251 0.3 . 1 . . . . 60 M CA . 16928 1 537 . 1 1 61 61 MET CB C 13 32.039 0.3 . 1 . . . . 60 M CB . 16928 1 538 . 1 1 61 61 MET CG C 13 34.392 0.3 . 1 . . . . 60 M CG . 16928 1 539 . 1 1 61 61 MET N N 15 115.510 0.3 . 1 . . . . 60 M N . 16928 1 540 . 1 1 62 62 GLN H H 1 8.525 0.02 . 1 . . . . 61 Q HN . 16928 1 541 . 1 1 62 62 GLN HA H 1 3.904 0.02 . 1 . . . . 61 Q HA . 16928 1 542 . 1 1 62 62 GLN HB2 H 1 2.390 0.02 . 2 . . . . 61 Q HB1 . 16928 1 543 . 1 1 62 62 GLN HE21 H 1 7.422 0.02 . 2 . . . . 61 Q HE21 . 16928 1 544 . 1 1 62 62 GLN HE22 H 1 6.734 0.02 . 2 . . . . 61 Q HE22 . 16928 1 545 . 1 1 62 62 GLN HG2 H 1 1.890 0.02 . 2 . . . . 61 Q HG1 . 16928 1 546 . 1 1 62 62 GLN C C 13 175.173 0.3 . 1 . . . . 61 Q C . 16928 1 547 . 1 1 62 62 GLN CA C 13 57.875 0.3 . 1 . . . . 61 Q CA . 16928 1 548 . 1 1 62 62 GLN CB C 13 27.628 0.3 . 1 . . . . 61 Q CB . 16928 1 549 . 1 1 62 62 GLN CG C 13 35.421 0.3 . 1 . . . . 61 Q CG . 16928 1 550 . 1 1 62 62 GLN N N 15 112.317 0.3 . 1 . . . . 61 Q N . 16928 1 551 . 1 1 62 62 GLN NE2 N 15 111.419 0.3 . 1 . . . . 61 Q NE2 . 16928 1 552 . 1 1 63 63 ARG H H 1 7.666 0.02 . 1 . . . . 62 R HN . 16928 1 553 . 1 1 63 63 ARG HA H 1 4.586 0.02 . 1 . . . . 62 R HA . 16928 1 554 . 1 1 63 63 ARG C C 13 173.797 0.3 . 1 . . . . 62 R C . 16928 1 555 . 1 1 63 63 ARG CA C 13 54.441 0.3 . 1 . . . . 62 R CA . 16928 1 556 . 1 1 63 63 ARG CB C 13 29.551 0.3 . 1 . . . . 62 R CB . 16928 1 557 . 1 1 63 63 ARG N N 15 120.353 0.3 . 1 . . . . 62 R N . 16928 1 558 . 1 1 64 64 PRO HA H 1 4.541 0.02 . 1 . . . . 63 P HA . 16928 1 559 . 1 1 64 64 PRO HB2 H 1 2.578 0.02 . 2 . . . . 63 P HB1 . 16928 1 560 . 1 1 64 64 PRO HB3 H 1 2.031 0.02 . 2 . . . . 63 P HB2 . 16928 1 561 . 1 1 64 64 PRO C C 13 179.956 0.3 . 1 . . . . 63 P C . 16928 1 562 . 1 1 64 64 PRO CA C 13 64.082 0.3 . 1 . . . . 63 P CA . 16928 1 563 . 1 1 64 64 PRO CB C 13 33.109 0.3 . 1 . . . . 63 P CB . 16928 1 564 . 1 1 64 64 PRO CD C 13 48.348 0.3 . 1 . . . . 63 P CD . 16928 1 565 . 1 1 64 64 PRO CG C 13 28.338 0.3 . 1 . . . . 63 P CG . 16928 1 566 . 1 1 65 65 CYS H H 1 8.207 0.02 . 1 . . . . 64 C HN . 16928 1 567 . 1 1 65 65 CYS HA H 1 4.267 0.02 . 1 . . . . 64 C HA . 16928 1 568 . 1 1 65 65 CYS HB2 H 1 3.109 0.02 . 2 . . . . 64 C HB1 . 16928 1 569 . 1 1 65 65 CYS HB3 H 1 2.791 0.02 . 2 . . . . 64 C HB2 . 16928 1 570 . 1 1 65 65 CYS C C 13 172.075 0.3 . 1 . . . . 64 C C . 16928 1 571 . 1 1 65 65 CYS CA C 13 60.753 0.3 . 1 . . . . 64 C CA . 16928 1 572 . 1 1 65 65 CYS CB C 13 28.319 0.3 . 1 . . . . 64 C CB . 16928 1 573 . 1 1 65 65 CYS N N 15 119.974 0.3 . 1 . . . . 64 C N . 16928 1 574 . 1 1 66 66 THR H H 1 6.948 0.02 . 1 . . . . 65 T HN . 16928 1 575 . 1 1 66 66 THR HA H 1 3.782 0.02 . 1 . . . . 65 T HA . 16928 1 576 . 1 1 66 66 THR HB H 1 3.782 0.02 . 1 . . . . 65 T HB . 16928 1 577 . 1 1 66 66 THR HG21 H 1 1.104 0.02 . 1 . . . . 65 T HG21 . 16928 1 578 . 1 1 66 66 THR HG22 H 1 1.104 0.02 . 1 . . . . 65 T HG21 . 16928 1 579 . 1 1 66 66 THR HG23 H 1 1.104 0.02 . 1 . . . . 65 T HG21 . 16928 1 580 . 1 1 66 66 THR C C 13 174.780 0.3 . 1 . . . . 65 T C . 16928 1 581 . 1 1 66 66 THR CA C 13 62.978 0.3 . 1 . . . . 65 T CA . 16928 1 582 . 1 1 66 66 THR CB C 13 68.168 0.3 . 1 . . . . 65 T CB . 16928 1 583 . 1 1 66 66 THR CG2 C 13 24.648 0.3 . 1 . . . . 65 T CG2 . 16928 1 584 . 1 1 66 66 THR N N 15 107.557 0.3 . 1 . . . . 65 T N . 16928 1 585 . 1 1 67 67 CYS H H 1 8.213 0.02 . 1 . . . . 66 C HN . 16928 1 586 . 1 1 67 67 CYS HA H 1 3.471 0.02 . 1 . . . . 66 C HA . 16928 1 587 . 1 1 67 67 CYS HB2 H 1 2.951 0.02 . 2 . . . . 66 C HB1 . 16928 1 588 . 1 1 67 67 CYS HB3 H 1 1.653 0.02 . 2 . . . . 66 C HB2 . 16928 1 589 . 1 1 67 67 CYS C C 13 174.739 0.3 . 1 . . . . 66 C C . 16928 1 590 . 1 1 67 67 CYS CA C 13 60.709 0.3 . 1 . . . . 66 C CA . 16928 1 591 . 1 1 67 67 CYS CB C 13 24.124 0.3 . 1 . . . . 66 C CB . 16928 1 592 . 1 1 67 67 CYS N N 15 110.460 0.3 . 1 . . . . 66 C N . 16928 1 593 . 1 1 68 68 ASP H H 1 8.200 0.02 . 1 . . . . 67 D HN . 16928 1 594 . 1 1 68 68 ASP HB2 H 1 2.504 0.02 . 2 . . . . 67 D HB1 . 16928 1 595 . 1 1 68 68 ASP HB3 H 1 2.358 0.02 . 2 . . . . 67 D HB2 . 16928 1 596 . 1 1 68 68 ASP C C 13 177.205 0.3 . 1 . . . . 67 D C . 16928 1 597 . 1 1 68 68 ASP CA C 13 55.773 0.3 . 1 . . . . 67 D CA . 16928 1 598 . 1 1 68 68 ASP CB C 13 39.564 0.3 . 1 . . . . 67 D CB . 16928 1 599 . 1 1 68 68 ASP N N 15 116.670 0.3 . 1 . . . . 67 D N . 16928 1 600 . 1 1 69 69 PHE H H 1 6.908 0.02 . 1 . . . . 68 F HN . 16928 1 601 . 1 1 69 69 PHE HA H 1 4.439 0.02 . 1 . . . . 68 F HA . 16928 1 602 . 1 1 69 69 PHE HB2 H 1 2.975 0.02 . 2 . . . . 68 F HB1 . 16928 1 603 . 1 1 69 69 PHE C C 13 175.421 0.3 . 1 . . . . 68 F C . 16928 1 604 . 1 1 69 69 PHE CA C 13 56.856 0.3 . 1 . . . . 68 F CA . 16928 1 605 . 1 1 69 69 PHE CB C 13 37.410 0.3 . 1 . . . . 68 F CB . 16928 1 606 . 1 1 69 69 PHE N N 15 114.025 0.3 . 1 . . . . 68 F N . 16928 1 607 . 1 1 70 70 LEU H H 1 7.535 0.02 . 1 . . . . 69 L HN . 16928 1 608 . 1 1 70 70 LEU HA H 1 4.591 0.02 . 1 . . . . 69 L HA . 16928 1 609 . 1 1 70 70 LEU HB2 H 1 1.233 0.02 . 2 . . . . 69 L HB1 . 16928 1 610 . 1 1 70 70 LEU HD11 H 1 0.724 0.02 . 4 . . . . 69 L HD11 . 16928 1 611 . 1 1 70 70 LEU HD12 H 1 0.724 0.02 . 4 . . . . 69 L HD11 . 16928 1 612 . 1 1 70 70 LEU HD13 H 1 0.724 0.02 . 4 . . . . 69 L HD11 . 16928 1 613 . 1 1 70 70 LEU HD21 H 1 0.112 0.02 . 4 . . . . 69 L HD21 . 16928 1 614 . 1 1 70 70 LEU HD22 H 1 0.112 0.02 . 4 . . . . 69 L HD21 . 16928 1 615 . 1 1 70 70 LEU HD23 H 1 0.112 0.02 . 4 . . . . 69 L HD21 . 16928 1 616 . 1 1 70 70 LEU C C 13 176.783 0.3 . 1 . . . . 69 L C . 16928 1 617 . 1 1 70 70 LEU CA C 13 54.140 0.3 . 1 . . . . 69 L CA . 16928 1 618 . 1 1 70 70 LEU CB C 13 41.326 0.3 . 1 . . . . 69 L CB . 16928 1 619 . 1 1 70 70 LEU CD1 C 13 25.221 0.3 . 2 . . . . 69 L CD1 . 16928 1 620 . 1 1 70 70 LEU CD2 C 13 26.130 0.3 . 2 . . . . 69 L CD2 . 16928 1 621 . 1 1 70 70 LEU N N 15 119.364 0.3 . 1 . . . . 69 L N . 16928 1 622 . 1 1 71 71 HIS H H 1 7.564 0.02 . 1 . . . . 70 H HN . 16928 1 623 . 1 1 71 71 HIS HA H 1 5.305 0.02 . 1 . . . . 70 H HA . 16928 1 624 . 1 1 71 71 HIS HB2 H 1 3.373 0.02 . 2 . . . . 70 H HB1 . 16928 1 625 . 1 1 71 71 HIS HB3 H 1 3.230 0.02 . 2 . . . . 70 H HB2 . 16928 1 626 . 1 1 71 71 HIS C C 13 176.144 0.3 . 1 . . . . 70 H C . 16928 1 627 . 1 1 71 71 HIS CA C 13 55.209 0.3 . 1 . . . . 70 H CA . 16928 1 628 . 1 1 71 71 HIS CB C 13 32.522 0.3 . 1 . . . . 70 H CB . 16928 1 629 . 1 1 71 71 HIS N N 15 118.367 0.3 . 1 . . . . 70 H N . 16928 1 630 . 1 1 72 72 GLY H H 1 8.841 0.02 . 1 . . . . 71 G HN . 16928 1 631 . 1 1 72 72 GLY HA2 H 1 4.007 0.02 . 2 . . . . 71 G HA1 . 16928 1 632 . 1 1 72 72 GLY C C 13 173.114 0.3 . 1 . . . . 71 G C . 16928 1 633 . 1 1 72 72 GLY CA C 13 45.632 0.3 . 1 . . . . 71 G CA . 16928 1 634 . 1 1 72 72 GLY N N 15 110.284 0.3 . 1 . . . . 71 G N . 16928 1 635 . 1 1 73 73 PRO HA H 1 4.237 0.02 . 1 . . . . 72 P HA . 16928 1 636 . 1 1 73 73 PRO HB2 H 1 2.482 0.02 . 2 . . . . 72 P HB1 . 16928 1 637 . 1 1 73 73 PRO HB3 H 1 1.932 0.02 . 2 . . . . 72 P HB2 . 16928 1 638 . 1 1 73 73 PRO CA C 13 67.123 0.3 . 1 . . . . 72 P CA . 16928 1 639 . 1 1 73 73 PRO CB C 13 32.858 0.3 . 1 . . . . 72 P CB . 16928 1 640 . 1 1 73 73 PRO CD C 13 50.039 0.3 . 1 . . . . 72 P CD . 16928 1 641 . 1 1 73 73 PRO CG C 13 28.116 0.3 . 1 . . . . 72 P CG . 16928 1 642 . 1 1 74 74 ARG H H 1 8.650 0.02 . 1 . . . . 73 R HN . 16928 1 643 . 1 1 74 74 ARG HA H 1 4.298 0.02 . 1 . . . . 73 R HA . 16928 1 644 . 1 1 74 74 ARG HB2 H 1 2.048 0.02 . 2 . . . . 73 R HB1 . 16928 1 645 . 1 1 74 74 ARG HB3 H 1 1.727 0.02 . 2 . . . . 73 R HB2 . 16928 1 646 . 1 1 74 74 ARG C C 13 176.614 0.3 . 1 . . . . 73 R C . 16928 1 647 . 1 1 74 74 ARG CA C 13 57.052 0.3 . 1 . . . . 73 R CA . 16928 1 648 . 1 1 74 74 ARG CB C 13 30.649 0.3 . 1 . . . . 73 R CB . 16928 1 649 . 1 1 74 74 ARG CD C 13 44.755 0.3 . 1 . . . . 73 R CD . 16928 1 650 . 1 1 74 74 ARG CG C 13 28.750 0.3 . 1 . . . . 73 R CG . 16928 1 651 . 1 1 74 74 ARG N N 15 111.685 0.3 . 1 . . . . 73 R N . 16928 1 652 . 1 1 75 75 THR H H 1 8.349 0.02 . 1 . . . . 74 T HN . 16928 1 653 . 1 1 75 75 THR HA H 1 4.177 0.02 . 1 . . . . 74 T HA . 16928 1 654 . 1 1 75 75 THR HG21 H 1 0.735 0.02 . 1 . . . . 74 T HG21 . 16928 1 655 . 1 1 75 75 THR HG22 H 1 0.735 0.02 . 1 . . . . 74 T HG21 . 16928 1 656 . 1 1 75 75 THR HG23 H 1 0.735 0.02 . 1 . . . . 74 T HG21 . 16928 1 657 . 1 1 75 75 THR C C 13 174.554 0.3 . 1 . . . . 74 T C . 16928 1 658 . 1 1 75 75 THR CA C 13 64.283 0.3 . 1 . . . . 74 T CA . 16928 1 659 . 1 1 75 75 THR CB C 13 68.781 0.3 . 1 . . . . 74 T CB . 16928 1 660 . 1 1 75 75 THR N N 15 119.712 0.3 . 1 . . . . 74 T N . 16928 1 661 . 1 1 76 76 GLN H H 1 9.175 0.02 . 1 . . . . 75 Q HN . 16928 1 662 . 1 1 76 76 GLN HA H 1 4.306 0.02 . 1 . . . . 75 Q HA . 16928 1 663 . 1 1 76 76 GLN HB2 H 1 2.217 0.02 . 2 . . . . 75 Q HB1 . 16928 1 664 . 1 1 76 76 GLN HE21 H 1 7.562 0.02 . 2 . . . . 75 Q HE21 . 16928 1 665 . 1 1 76 76 GLN HE22 H 1 6.658 0.02 . 2 . . . . 75 Q HE22 . 16928 1 666 . 1 1 76 76 GLN C C 13 176.945 0.3 . 1 . . . . 75 Q C . 16928 1 667 . 1 1 76 76 GLN CA C 13 56.327 0.3 . 1 . . . . 75 Q CA . 16928 1 668 . 1 1 76 76 GLN CB C 13 28.673 0.3 . 1 . . . . 75 Q CB . 16928 1 669 . 1 1 76 76 GLN CG C 13 35.028 0.3 . 1 . . . . 75 Q CG . 16928 1 670 . 1 1 76 76 GLN N N 15 130.975 0.3 . 1 . . . . 75 Q N . 16928 1 671 . 1 1 76 76 GLN NE2 N 15 112.245 0.3 . 1 . . . . 75 Q NE2 . 16928 1 672 . 1 1 77 77 ARG H H 1 9.038 0.02 . 1 . . . . 76 R HN . 16928 1 673 . 1 1 77 77 ARG HA H 1 3.980 0.02 . 1 . . . . 76 R HA . 16928 1 674 . 1 1 77 77 ARG HB2 H 1 1.960 0.02 . 2 . . . . 76 R HB1 . 16928 1 675 . 1 1 77 77 ARG C C 13 179.444 0.3 . 1 . . . . 76 R C . 16928 1 676 . 1 1 77 77 ARG CA C 13 59.265 0.3 . 1 . . . . 76 R CA . 16928 1 677 . 1 1 77 77 ARG CB C 13 29.457 0.3 . 1 . . . . 76 R CB . 16928 1 678 . 1 1 77 77 ARG CD C 13 43.989 0.3 . 1 . . . . 76 R CD . 16928 1 679 . 1 1 77 77 ARG CG C 13 27.830 0.3 . 1 . . . . 76 R CG . 16928 1 680 . 1 1 77 77 ARG N N 15 127.812 0.3 . 1 . . . . 76 R N . 16928 1 681 . 1 1 78 78 ARG H H 1 8.963 0.02 . 1 . . . . 77 R HN . 16928 1 682 . 1 1 78 78 ARG HA H 1 4.135 0.02 . 1 . . . . 77 R HA . 16928 1 683 . 1 1 78 78 ARG C C 13 178.062 0.3 . 1 . . . . 77 R C . 16928 1 684 . 1 1 78 78 ARG CA C 13 59.111 0.3 . 1 . . . . 77 R CA . 16928 1 685 . 1 1 78 78 ARG CB C 13 29.818 0.3 . 1 . . . . 77 R CB . 16928 1 686 . 1 1 78 78 ARG CD C 13 44.281 0.3 . 1 . . . . 77 R CD . 16928 1 687 . 1 1 78 78 ARG CG C 13 28.153 0.3 . 1 . . . . 77 R CG . 16928 1 688 . 1 1 78 78 ARG N N 15 118.376 0.3 . 1 . . . . 77 R N . 16928 1 689 . 1 1 79 79 ALA H H 1 6.720 0.02 . 1 . . . . 78 A HN . 16928 1 690 . 1 1 79 79 ALA HA H 1 4.270 0.02 . 1 . . . . 78 A HA . 16928 1 691 . 1 1 79 79 ALA HB1 H 1 1.502 0.02 . 1 . . . . 78 A HB1 . 16928 1 692 . 1 1 79 79 ALA HB2 H 1 1.502 0.02 . 1 . . . . 78 A HB1 . 16928 1 693 . 1 1 79 79 ALA HB3 H 1 1.502 0.02 . 1 . . . . 78 A HB1 . 16928 1 694 . 1 1 79 79 ALA C C 13 178.947 0.3 . 1 . . . . 78 A C . 16928 1 695 . 1 1 79 79 ALA CA C 13 54.583 0.3 . 1 . . . . 78 A CA . 16928 1 696 . 1 1 79 79 ALA CB C 13 18.878 0.3 . 1 . . . . 78 A CB . 16928 1 697 . 1 1 79 79 ALA N N 15 122.088 0.3 . 1 . . . . 78 A N . 16928 1 698 . 1 1 80 80 ALA H H 1 7.809 0.02 . 1 . . . . 79 A HN . 16928 1 699 . 1 1 80 80 ALA HA H 1 3.871 0.02 . 1 . . . . 79 A HA . 16928 1 700 . 1 1 80 80 ALA HB1 H 1 1.396 0.02 . 1 . . . . 79 A HB1 . 16928 1 701 . 1 1 80 80 ALA HB2 H 1 1.396 0.02 . 1 . . . . 79 A HB1 . 16928 1 702 . 1 1 80 80 ALA HB3 H 1 1.396 0.02 . 1 . . . . 79 A HB1 . 16928 1 703 . 1 1 80 80 ALA C C 13 181.125 0.3 . 1 . . . . 79 A C . 16928 1 704 . 1 1 80 80 ALA CA C 13 55.171 0.3 . 1 . . . . 79 A CA . 16928 1 705 . 1 1 80 80 ALA CB C 13 18.060 0.3 . 1 . . . . 79 A CB . 16928 1 706 . 1 1 80 80 ALA N N 15 120.909 0.3 . 1 . . . . 79 A N . 16928 1 707 . 1 1 81 81 ALA H H 1 8.353 0.02 . 1 . . . . 80 A HN . 16928 1 708 . 1 1 81 81 ALA HA H 1 4.249 0.02 . 1 . . . . 80 A HA . 16928 1 709 . 1 1 81 81 ALA HB1 H 1 1.549 0.02 . 1 . . . . 80 A HB1 . 16928 1 710 . 1 1 81 81 ALA HB2 H 1 1.549 0.02 . 1 . . . . 80 A HB1 . 16928 1 711 . 1 1 81 81 ALA HB3 H 1 1.549 0.02 . 1 . . . . 80 A HB1 . 16928 1 712 . 1 1 81 81 ALA C C 13 180.039 0.3 . 1 . . . . 80 A C . 16928 1 713 . 1 1 81 81 ALA CA C 13 54.783 0.3 . 1 . . . . 80 A CA . 16928 1 714 . 1 1 81 81 ALA CB C 13 18.067 0.3 . 1 . . . . 80 A CB . 16928 1 715 . 1 1 81 81 ALA N N 15 121.055 0.3 . 1 . . . . 80 A N . 16928 1 716 . 1 1 82 82 GLN H H 1 7.737 0.02 . 1 . . . . 81 Q HN . 16928 1 717 . 1 1 82 82 GLN HA H 1 4.078 0.02 . 1 . . . . 81 Q HA . 16928 1 718 . 1 1 82 82 GLN HB2 H 1 2.528 0.02 . 2 . . . . 81 Q HB1 . 16928 1 719 . 1 1 82 82 GLN HB3 H 1 1.962 0.02 . 2 . . . . 81 Q HB2 . 16928 1 720 . 1 1 82 82 GLN HE21 H 1 7.337 0.02 . 2 . . . . 81 Q HE21 . 16928 1 721 . 1 1 82 82 GLN HE22 H 1 6.707 0.02 . 2 . . . . 81 Q HE22 . 16928 1 722 . 1 1 82 82 GLN C C 13 179.688 0.3 . 1 . . . . 81 Q C . 16928 1 723 . 1 1 82 82 GLN CA C 13 59.182 0.3 . 1 . . . . 81 Q CA . 16928 1 724 . 1 1 82 82 GLN CB C 13 29.803 0.3 . 1 . . . . 81 Q CB . 16928 1 725 . 1 1 82 82 GLN CG C 13 35.805 0.3 . 1 . . . . 81 Q CG . 16928 1 726 . 1 1 82 82 GLN N N 15 118.411 0.3 . 1 . . . . 81 Q N . 16928 1 727 . 1 1 82 82 GLN NE2 N 15 111.489 0.3 . 1 . . . . 81 Q NE2 . 16928 1 728 . 1 1 83 83 ILE H H 1 7.561 0.02 . 1 . . . . 82 I HN . 16928 1 729 . 1 1 83 83 ILE HA H 1 3.431 0.02 . 1 . . . . 82 I HA . 16928 1 730 . 1 1 83 83 ILE HB H 1 1.994 0.02 . 1 . . . . 82 I HB . 16928 1 731 . 1 1 83 83 ILE HD11 H 1 0.595 0.02 . 1 . . . . 82 I HD11 . 16928 1 732 . 1 1 83 83 ILE HD12 H 1 0.595 0.02 . 1 . . . . 82 I HD11 . 16928 1 733 . 1 1 83 83 ILE HD13 H 1 0.595 0.02 . 1 . . . . 82 I HD11 . 16928 1 734 . 1 1 83 83 ILE C C 13 176.232 0.3 . 1 . . . . 82 I C . 16928 1 735 . 1 1 83 83 ILE CA C 13 66.278 0.3 . 1 . . . . 82 I CA . 16928 1 736 . 1 1 83 83 ILE CB C 13 37.911 0.3 . 1 . . . . 82 I CB . 16928 1 737 . 1 1 83 83 ILE CD1 C 13 14.968 0.3 . 1 . . . . 82 I CD1 . 16928 1 738 . 1 1 83 83 ILE CG1 C 13 30.835 0.3 . 2 . . . . 82 I CG1 . 16928 1 739 . 1 1 83 83 ILE CG2 C 13 17.206 0.3 . 2 . . . . 82 I CG2 . 16928 1 740 . 1 1 83 83 ILE N N 15 120.914 0.3 . 1 . . . . 82 I N . 16928 1 741 . 1 1 84 84 ALA H H 1 7.447 0.02 . 1 . . . . 83 A HN . 16928 1 742 . 1 1 84 84 ALA HA H 1 3.825 0.02 . 1 . . . . 83 A HA . 16928 1 743 . 1 1 84 84 ALA HB1 H 1 1.502 0.02 . 1 . . . . 83 A HB1 . 16928 1 744 . 1 1 84 84 ALA HB2 H 1 1.502 0.02 . 1 . . . . 83 A HB1 . 16928 1 745 . 1 1 84 84 ALA HB3 H 1 1.502 0.02 . 1 . . . . 83 A HB1 . 16928 1 746 . 1 1 84 84 ALA C C 13 180.816 0.3 . 1 . . . . 83 A C . 16928 1 747 . 1 1 84 84 ALA CA C 13 55.450 0.3 . 1 . . . . 83 A CA . 16928 1 748 . 1 1 84 84 ALA CB C 13 18.003 0.3 . 1 . . . . 83 A CB . 16928 1 749 . 1 1 84 84 ALA N N 15 119.341 0.3 . 1 . . . . 83 A N . 16928 1 750 . 1 1 85 85 GLN H H 1 8.398 0.02 . 1 . . . . 84 Q HN . 16928 1 751 . 1 1 85 85 GLN HA H 1 3.947 0.02 . 1 . . . . 84 Q HA . 16928 1 752 . 1 1 85 85 GLN HB2 H 1 2.119 0.02 . 2 . . . . 84 Q HB1 . 16928 1 753 . 1 1 85 85 GLN HE21 H 1 7.419 0.02 . 2 . . . . 84 Q HE21 . 16928 1 754 . 1 1 85 85 GLN HE22 H 1 6.793 0.02 . 2 . . . . 84 Q HE22 . 16928 1 755 . 1 1 85 85 GLN C C 13 179.322 0.3 . 1 . . . . 84 Q C . 16928 1 756 . 1 1 85 85 GLN CA C 13 58.210 0.3 . 1 . . . . 84 Q CA . 16928 1 757 . 1 1 85 85 GLN CB C 13 28.770 0.3 . 1 . . . . 84 Q CB . 16928 1 758 . 1 1 85 85 GLN CG C 13 35.002 0.3 . 1 . . . . 84 Q CG . 16928 1 759 . 1 1 85 85 GLN N N 15 115.953 0.3 . 1 . . . . 84 Q N . 16928 1 760 . 1 1 85 85 GLN NE2 N 15 112.000 0.3 . 1 . . . . 84 Q NE2 . 16928 1 761 . 1 1 86 86 ALA H H 1 7.813 0.02 . 1 . . . . 85 A HN . 16928 1 762 . 1 1 86 86 ALA HA H 1 4.116 0.02 . 1 . . . . 85 A HA . 16928 1 763 . 1 1 86 86 ALA HB1 H 1 1.469 0.02 . 1 . . . . 85 A HB1 . 16928 1 764 . 1 1 86 86 ALA HB2 H 1 1.469 0.02 . 1 . . . . 85 A HB1 . 16928 1 765 . 1 1 86 86 ALA HB3 H 1 1.469 0.02 . 1 . . . . 85 A HB1 . 16928 1 766 . 1 1 86 86 ALA C C 13 179.784 0.3 . 1 . . . . 85 A C . 16928 1 767 . 1 1 86 86 ALA CA C 13 54.466 0.3 . 1 . . . . 85 A CA . 16928 1 768 . 1 1 86 86 ALA CB C 13 18.148 0.3 . 1 . . . . 85 A CB . 16928 1 769 . 1 1 86 86 ALA N N 15 123.889 0.3 . 1 . . . . 85 A N . 16928 1 770 . 1 1 87 87 LEU H H 1 7.035 0.02 . 1 . . . . 86 L HN . 16928 1 771 . 1 1 87 87 LEU HA H 1 3.481 0.02 . 1 . . . . 86 L HA . 16928 1 772 . 1 1 87 87 LEU HB2 H 1 1.582 0.02 . 2 . . . . 86 L HB1 . 16928 1 773 . 1 1 87 87 LEU HB3 H 1 1.328 0.02 . 2 . . . . 86 L HB2 . 16928 1 774 . 1 1 87 87 LEU HD11 H 1 0.443 0.02 . 4 . . . . 86 L HD11 . 16928 1 775 . 1 1 87 87 LEU HD12 H 1 0.443 0.02 . 4 . . . . 86 L HD11 . 16928 1 776 . 1 1 87 87 LEU HD13 H 1 0.443 0.02 . 4 . . . . 86 L HD11 . 16928 1 777 . 1 1 87 87 LEU HD21 H 1 0.855 0.02 . 4 . . . . 86 L HD21 . 16928 1 778 . 1 1 87 87 LEU HD22 H 1 0.855 0.02 . 4 . . . . 86 L HD21 . 16928 1 779 . 1 1 87 87 LEU HD23 H 1 0.855 0.02 . 4 . . . . 86 L HD21 . 16928 1 780 . 1 1 87 87 LEU HG H 1 1.974 0.02 . 1 . . . . 86 L HG . 16928 1 781 . 1 1 87 87 LEU C C 13 177.065 0.3 . 1 . . . . 86 L C . 16928 1 782 . 1 1 87 87 LEU CA C 13 55.470 0.3 . 1 . . . . 86 L CA . 16928 1 783 . 1 1 87 87 LEU CB C 13 40.541 0.3 . 1 . . . . 86 L CB . 16928 1 784 . 1 1 87 87 LEU CD1 C 13 26.423 0.3 . 2 . . . . 86 L CD1 . 16928 1 785 . 1 1 87 87 LEU CD2 C 13 22.072 0.3 . 2 . . . . 86 L CD2 . 16928 1 786 . 1 1 87 87 LEU CG C 13 28.380 0.3 . 1 . . . . 86 L CG . 16928 1 787 . 1 1 87 87 LEU N N 15 114.826 0.3 . 1 . . . . 86 L N . 16928 1 788 . 1 1 88 88 LEU H H 1 7.317 0.02 . 1 . . . . 87 L HN . 16928 1 789 . 1 1 88 88 LEU HA H 1 4.473 0.02 . 1 . . . . 87 L HA . 16928 1 790 . 1 1 88 88 LEU HB2 H 1 1.764 0.02 . 2 . . . . 87 L HB1 . 16928 1 791 . 1 1 88 88 LEU HD21 H 1 0.874 0.02 . 4 . . . . 87 L HD21 . 16928 1 792 . 1 1 88 88 LEU HD22 H 1 0.874 0.02 . 4 . . . . 87 L HD21 . 16928 1 793 . 1 1 88 88 LEU HD23 H 1 0.874 0.02 . 4 . . . . 87 L HD21 . 16928 1 794 . 1 1 88 88 LEU C C 13 178.149 0.3 . 1 . . . . 87 L C . 16928 1 795 . 1 1 88 88 LEU CA C 13 54.765 0.3 . 1 . . . . 87 L CA . 16928 1 796 . 1 1 88 88 LEU CB C 13 42.424 0.3 . 1 . . . . 87 L CB . 16928 1 797 . 1 1 88 88 LEU CD1 C 13 26.779 0.3 . 2 . . . . 87 L CD1 . 16928 1 798 . 1 1 88 88 LEU CD2 C 13 23.626 0.3 . 2 . . . . 87 L CD2 . 16928 1 799 . 1 1 88 88 LEU CG C 13 26.779 0.3 . 1 . . . . 87 L CG . 16928 1 800 . 1 1 88 88 LEU N N 15 117.304 0.3 . 1 . . . . 87 L N . 16928 1 801 . 1 1 89 89 GLY H H 1 7.617 0.02 . 1 . . . . 88 G HN . 16928 1 802 . 1 1 89 89 GLY HA2 H 1 4.622 0.02 . 2 . . . . 88 G HA1 . 16928 1 803 . 1 1 89 89 GLY HA3 H 1 3.848 0.02 . 2 . . . . 88 G HA2 . 16928 1 804 . 1 1 89 89 GLY C C 13 172.939 0.3 . 1 . . . . 88 G C . 16928 1 805 . 1 1 89 89 GLY CA C 13 44.518 0.3 . 1 . . . . 88 G CA . 16928 1 806 . 1 1 89 89 GLY N N 15 107.281 0.3 . 1 . . . . 88 G N . 16928 1 807 . 1 1 90 90 ALA H H 1 8.267 0.02 . 1 . . . . 89 A HN . 16928 1 808 . 1 1 90 90 ALA HA H 1 4.567 0.02 . 1 . . . . 89 A HA . 16928 1 809 . 1 1 90 90 ALA HB1 H 1 1.363 0.02 . 1 . . . . 89 A HB1 . 16928 1 810 . 1 1 90 90 ALA HB2 H 1 1.363 0.02 . 1 . . . . 89 A HB1 . 16928 1 811 . 1 1 90 90 ALA HB3 H 1 1.363 0.02 . 1 . . . . 89 A HB1 . 16928 1 812 . 1 1 90 90 ALA C C 13 175.856 0.3 . 1 . . . . 89 A C . 16928 1 813 . 1 1 90 90 ALA CA C 13 50.974 0.3 . 1 . . . . 89 A CA . 16928 1 814 . 1 1 90 90 ALA CB C 13 19.861 0.3 . 1 . . . . 89 A CB . 16928 1 815 . 1 1 90 90 ALA N N 15 120.087 0.3 . 1 . . . . 89 A N . 16928 1 816 . 1 1 91 91 GLU H H 1 8.038 0.02 . 1 . . . . 90 E HN . 16928 1 817 . 1 1 91 91 GLU HA H 1 4.753 0.02 . 1 . . . . 90 E HA . 16928 1 818 . 1 1 91 91 GLU HB2 H 1 2.069 0.02 . 2 . . . . 90 E HB1 . 16928 1 819 . 1 1 91 91 GLU HB3 H 1 1.839 0.02 . 2 . . . . 90 E HB2 . 16928 1 820 . 1 1 91 91 GLU C C 13 175.138 0.3 . 1 . . . . 90 E C . 16928 1 821 . 1 1 91 91 GLU CA C 13 54.595 0.3 . 1 . . . . 90 E CA . 16928 1 822 . 1 1 91 91 GLU CB C 13 33.725 0.3 . 1 . . . . 90 E CB . 16928 1 823 . 1 1 91 91 GLU CG C 13 36.961 0.3 . 1 . . . . 90 E CG . 16928 1 824 . 1 1 91 91 GLU N N 15 117.928 0.3 . 1 . . . . 90 E N . 16928 1 825 . 1 1 92 92 GLU H H 1 8.654 0.02 . 1 . . . . 91 E HN . 16928 1 826 . 1 1 92 92 GLU HA H 1 5.145 0.02 . 1 . . . . 91 E HA . 16928 1 827 . 1 1 92 92 GLU HB2 H 1 2.090 0.02 . 2 . . . . 91 E HB1 . 16928 1 828 . 1 1 92 92 GLU C C 13 176.604 0.3 . 1 . . . . 91 E C . 16928 1 829 . 1 1 92 92 GLU CA C 13 55.967 0.3 . 1 . . . . 91 E CA . 16928 1 830 . 1 1 92 92 GLU CB C 13 29.682 0.3 . 1 . . . . 91 E CB . 16928 1 831 . 1 1 92 92 GLU CG C 13 36.227 0.3 . 1 . . . . 91 E CG . 16928 1 832 . 1 1 92 92 GLU N N 15 122.844 0.3 . 1 . . . . 91 E N . 16928 1 833 . 1 1 93 93 ARG H H 1 8.345 0.02 . 1 . . . . 92 R HN . 16928 1 834 . 1 1 93 93 ARG HA H 1 4.740 0.02 . 1 . . . . 92 R HA . 16928 1 835 . 1 1 93 93 ARG HB2 H 1 1.640 0.02 . 2 . . . . 92 R HB1 . 16928 1 836 . 1 1 93 93 ARG C C 13 173.400 0.3 . 1 . . . . 92 R C . 16928 1 837 . 1 1 93 93 ARG CA C 13 54.234 0.3 . 1 . . . . 92 R CA . 16928 1 838 . 1 1 93 93 ARG CB C 13 35.320 0.3 . 1 . . . . 92 R CB . 16928 1 839 . 1 1 93 93 ARG CD C 13 43.943 0.3 . 1 . . . . 92 R CD . 16928 1 840 . 1 1 93 93 ARG CG C 13 27.555 0.3 . 1 . . . . 92 R CG . 16928 1 841 . 1 1 93 93 ARG N N 15 124.830 0.3 . 1 . . . . 92 R N . 16928 1 842 . 1 1 94 94 LYS H H 1 8.350 0.02 . 1 . . . . 93 K HN . 16928 1 843 . 1 1 94 94 LYS HA H 1 5.681 0.02 . 1 . . . . 93 K HA . 16928 1 844 . 1 1 94 94 LYS HB2 H 1 1.677 0.02 . 2 . . . . 93 K HB1 . 16928 1 845 . 1 1 94 94 LYS HD2 H 1 1.250 0.02 . 2 . . . . 93 K HD1 . 16928 1 846 . 1 1 94 94 LYS C C 13 176.427 0.3 . 1 . . . . 93 K C . 16928 1 847 . 1 1 94 94 LYS CA C 13 54.974 0.3 . 1 . . . . 93 K CA . 16928 1 848 . 1 1 94 94 LYS CB C 13 35.247 0.3 . 1 . . . . 93 K CB . 16928 1 849 . 1 1 94 94 LYS CD C 13 30.788 0.3 . 1 . . . . 93 K CD . 16928 1 850 . 1 1 94 94 LYS CE C 13 42.879 0.3 . 1 . . . . 93 K CE . 16928 1 851 . 1 1 94 94 LYS CG C 13 26.228 0.3 . 1 . . . . 93 K CG . 16928 1 852 . 1 1 94 94 LYS N N 15 122.467 0.3 . 1 . . . . 93 K N . 16928 1 853 . 1 1 95 95 VAL H H 1 9.130 0.02 . 1 . . . . 94 V HN . 16928 1 854 . 1 1 95 95 VAL HA H 1 4.247 0.02 . 1 . . . . 94 V HA . 16928 1 855 . 1 1 95 95 VAL HB H 1 1.664 0.02 . 1 . . . . 94 V HB . 16928 1 856 . 1 1 95 95 VAL HG11 H 1 0.705 0.02 . 4 . . . . 94 V HG11 . 16928 1 857 . 1 1 95 95 VAL HG12 H 1 0.705 0.02 . 4 . . . . 94 V HG11 . 16928 1 858 . 1 1 95 95 VAL HG13 H 1 0.705 0.02 . 4 . . . . 94 V HG11 . 16928 1 859 . 1 1 95 95 VAL HG21 H 1 0.894 0.02 . 4 . . . . 94 V HG21 . 16928 1 860 . 1 1 95 95 VAL HG22 H 1 0.894 0.02 . 4 . . . . 94 V HG21 . 16928 1 861 . 1 1 95 95 VAL HG23 H 1 0.894 0.02 . 4 . . . . 94 V HG21 . 16928 1 862 . 1 1 95 95 VAL C C 13 173.621 0.3 . 1 . . . . 94 V C . 16928 1 863 . 1 1 95 95 VAL CA C 13 61.416 0.3 . 1 . . . . 94 V CA . 16928 1 864 . 1 1 95 95 VAL CB C 13 37.015 0.3 . 1 . . . . 94 V CB . 16928 1 865 . 1 1 95 95 VAL CG1 C 13 21.797 0.3 . 2 . . . . 94 V CG1 . 16928 1 866 . 1 1 95 95 VAL CG2 C 13 19.952 0.3 . 2 . . . . 94 V CG2 . 16928 1 867 . 1 1 95 95 VAL N N 15 125.237 0.3 . 1 . . . . 94 V N . 16928 1 868 . 1 1 96 96 GLU H H 1 8.258 0.02 . 1 . . . . 95 E HN . 16928 1 869 . 1 1 96 96 GLU HA H 1 5.308 0.02 . 1 . . . . 95 E HA . 16928 1 870 . 1 1 96 96 GLU HB2 H 1 1.869 0.02 . 2 . . . . 95 E HB1 . 16928 1 871 . 1 1 96 96 GLU C C 13 175.337 0.3 . 1 . . . . 95 E C . 16928 1 872 . 1 1 96 96 GLU CA C 13 55.213 0.3 . 1 . . . . 95 E CA . 16928 1 873 . 1 1 96 96 GLU CB C 13 31.800 0.3 . 1 . . . . 95 E CB . 16928 1 874 . 1 1 96 96 GLU CG C 13 38.616 0.3 . 1 . . . . 95 E CG . 16928 1 875 . 1 1 96 96 GLU N N 15 128.420 0.3 . 1 . . . . 95 E N . 16928 1 876 . 1 1 97 97 ILE H H 1 9.363 0.02 . 1 . . . . 96 I HN . 16928 1 877 . 1 1 97 97 ILE HA H 1 4.244 0.02 . 1 . . . . 96 I HA . 16928 1 878 . 1 1 97 97 ILE HB H 1 1.203 0.02 . 1 . . . . 96 I HB . 16928 1 879 . 1 1 97 97 ILE HD11 H 1 -0.222 0.02 . 1 . . . . 96 I HD11 . 16928 1 880 . 1 1 97 97 ILE HD12 H 1 -0.222 0.02 . 1 . . . . 96 I HD11 . 16928 1 881 . 1 1 97 97 ILE HD13 H 1 -0.222 0.02 . 1 . . . . 96 I HD11 . 16928 1 882 . 1 1 97 97 ILE C C 13 170.365 0.3 . 1 . . . . 96 I C . 16928 1 883 . 1 1 97 97 ILE CA C 13 60.262 0.3 . 1 . . . . 96 I CA . 16928 1 884 . 1 1 97 97 ILE CB C 13 42.962 0.3 . 1 . . . . 96 I CB . 16928 1 885 . 1 1 97 97 ILE CD1 C 13 15.380 0.3 . 1 . . . . 96 I CD1 . 16928 1 886 . 1 1 97 97 ILE CG1 C 13 29.312 0.3 . 2 . . . . 96 I CG1 . 16928 1 887 . 1 1 97 97 ILE N N 15 127.738 0.3 . 1 . . . . 96 I N . 16928 1 888 . 1 1 98 98 ALA H H 1 8.070 0.02 . 1 . . . . 97 A HN . 16928 1 889 . 1 1 98 98 ALA HA H 1 4.713 0.02 . 1 . . . . 97 A HA . 16928 1 890 . 1 1 98 98 ALA HB1 H 1 0.845 0.02 . 1 . . . . 97 A HB1 . 16928 1 891 . 1 1 98 98 ALA HB2 H 1 0.845 0.02 . 1 . . . . 97 A HB1 . 16928 1 892 . 1 1 98 98 ALA HB3 H 1 0.845 0.02 . 1 . . . . 97 A HB1 . 16928 1 893 . 1 1 98 98 ALA C C 13 174.631 0.3 . 1 . . . . 97 A C . 16928 1 894 . 1 1 98 98 ALA CA C 13 50.792 0.3 . 1 . . . . 97 A CA . 16928 1 895 . 1 1 98 98 ALA CB C 13 18.995 0.3 . 1 . . . . 97 A CB . 16928 1 896 . 1 1 98 98 ALA N N 15 128.882 0.3 . 1 . . . . 97 A N . 16928 1 897 . 1 1 99 99 PHE H H 1 8.299 0.02 . 1 . . . . 98 F HN . 16928 1 898 . 1 1 99 99 PHE HA H 1 5.446 0.02 . 1 . . . . 98 F HA . 16928 1 899 . 1 1 99 99 PHE HB2 H 1 1.785 0.02 . 2 . . . . 98 F HB1 . 16928 1 900 . 1 1 99 99 PHE HB3 H 1 2.838 0.02 . 2 . . . . 98 F HB2 . 16928 1 901 . 1 1 99 99 PHE C C 13 173.520 0.3 . 1 . . . . 98 F C . 16928 1 902 . 1 1 99 99 PHE CA C 13 51.585 0.3 . 1 . . . . 98 F CA . 16928 1 903 . 1 1 99 99 PHE CB C 13 45.629 0.3 . 1 . . . . 98 F CB . 16928 1 904 . 1 1 99 99 PHE N N 15 123.961 0.3 . 1 . . . . 98 F N . 16928 1 905 . 1 1 100 100 TYR H H 1 9.331 0.02 . 1 . . . . 99 Y HN . 16928 1 906 . 1 1 100 100 TYR HA H 1 5.360 0.02 . 1 . . . . 99 Y HA . 16928 1 907 . 1 1 100 100 TYR HB2 H 1 2.694 0.02 . 2 . . . . 99 Y HB1 . 16928 1 908 . 1 1 100 100 TYR C C 13 177.552 0.3 . 1 . . . . 99 Y C . 16928 1 909 . 1 1 100 100 TYR CA C 13 56.672 0.3 . 1 . . . . 99 Y CA . 16928 1 910 . 1 1 100 100 TYR CB C 13 40.689 0.3 . 1 . . . . 99 Y CB . 16928 1 911 . 1 1 100 100 TYR N N 15 117.274 0.3 . 1 . . . . 99 Y N . 16928 1 912 . 1 1 101 101 ARG H H 1 8.998 0.02 . 1 . . . . 100 R HN . 16928 1 913 . 1 1 101 101 ARG HA H 1 4.802 0.02 . 1 . . . . 100 R HA . 16928 1 914 . 1 1 101 101 ARG HD2 H 1 2.480 0.02 . 2 . . . . 100 R HD1 . 16928 1 915 . 1 1 101 101 ARG C C 13 178.318 0.3 . 1 . . . . 100 R C . 16928 1 916 . 1 1 101 101 ARG CA C 13 55.664 0.3 . 1 . . . . 100 R CA . 16928 1 917 . 1 1 101 101 ARG CB C 13 31.480 0.3 . 1 . . . . 100 R CB . 16928 1 918 . 1 1 101 101 ARG CD C 13 44.773 0.3 . 1 . . . . 100 R CD . 16928 1 919 . 1 1 101 101 ARG N N 15 120.084 0.3 . 1 . . . . 100 R N . 16928 1 920 . 1 1 102 102 LYS H H 1 8.191 0.02 . 1 . . . . 101 K HN . 16928 1 921 . 1 1 102 102 LYS HA H 1 3.851 0.02 . 1 . . . . 101 K HA . 16928 1 922 . 1 1 102 102 LYS HB2 H 1 1.369 0.02 . 2 . . . . 101 K HB1 . 16928 1 923 . 1 1 102 102 LYS HE2 H 1 2.372 0.02 . 2 . . . . 101 K HE1 . 16928 1 924 . 1 1 102 102 LYS C C 13 177.454 0.3 . 1 . . . . 101 K C . 16928 1 925 . 1 1 102 102 LYS CA C 13 59.715 0.3 . 1 . . . . 101 K CA . 16928 1 926 . 1 1 102 102 LYS CD C 13 30.449 0.3 . 1 . . . . 101 K CD . 16928 1 927 . 1 1 102 102 LYS CE C 13 43.001 0.3 . 1 . . . . 101 K CE . 16928 1 928 . 1 1 102 102 LYS CG C 13 26.067 0.3 . 1 . . . . 101 K CG . 16928 1 929 . 1 1 102 102 LYS N N 15 124.114 0.3 . 1 . . . . 101 K N . 16928 1 930 . 1 1 103 103 ASP H H 1 7.890 0.02 . 1 . . . . 102 D HN . 16928 1 931 . 1 1 103 103 ASP HA H 1 4.351 0.02 . 1 . . . . 102 D HA . 16928 1 932 . 1 1 103 103 ASP HB2 H 1 3.128 0.02 . 2 . . . . 102 D HB1 . 16928 1 933 . 1 1 103 103 ASP HB3 H 1 2.636 0.02 . 2 . . . . 102 D HB2 . 16928 1 934 . 1 1 103 103 ASP C C 13 177.312 0.3 . 1 . . . . 102 D C . 16928 1 935 . 1 1 103 103 ASP CA C 13 53.925 0.3 . 1 . . . . 102 D CA . 16928 1 936 . 1 1 103 103 ASP CB C 13 39.975 0.3 . 1 . . . . 102 D CB . 16928 1 937 . 1 1 103 103 ASP N N 15 113.731 0.3 . 1 . . . . 102 D N . 16928 1 938 . 1 1 104 104 GLY H H 1 8.341 0.02 . 1 . . . . 103 G HN . 16928 1 939 . 1 1 104 104 GLY HA2 H 1 4.503 0.02 . 2 . . . . 103 G HA1 . 16928 1 940 . 1 1 104 104 GLY HA3 H 1 3.917 0.02 . 2 . . . . 103 G HA2 . 16928 1 941 . 1 1 104 104 GLY C C 13 174.690 0.3 . 1 . . . . 103 G C . 16928 1 942 . 1 1 104 104 GLY CA C 13 45.249 0.3 . 1 . . . . 103 G CA . 16928 1 943 . 1 1 104 104 GLY N N 15 109.516 0.3 . 1 . . . . 103 G N . 16928 1 944 . 1 1 105 105 SER H H 1 8.523 0.02 . 1 . . . . 104 S HN . 16928 1 945 . 1 1 105 105 SER HA H 1 4.562 0.02 . 1 . . . . 104 S HA . 16928 1 946 . 1 1 105 105 SER HB2 H 1 4.044 0.02 . 2 . . . . 104 S HB2 . 16928 1 947 . 1 1 105 105 SER C C 13 172.233 0.3 . 1 . . . . 104 S C . 16928 1 948 . 1 1 105 105 SER CA C 13 58.706 0.3 . 1 . . . . 104 S CA . 16928 1 949 . 1 1 105 105 SER CB C 13 64.107 0.3 . 1 . . . . 104 S CB . 16928 1 950 . 1 1 105 105 SER N N 15 117.837 0.3 . 1 . . . . 104 S N . 16928 1 951 . 1 1 106 106 CYS H H 1 8.513 0.02 . 1 . . . . 105 C HN . 16928 1 952 . 1 1 106 106 CYS HA H 1 4.886 0.02 . 1 . . . . 105 C HA . 16928 1 953 . 1 1 106 106 CYS HB2 H 1 2.320 0.02 . 2 . . . . 105 C HB1 . 16928 1 954 . 1 1 106 106 CYS HB3 H 1 1.828 0.02 . 2 . . . . 105 C HB2 . 16928 1 955 . 1 1 106 106 CYS C C 13 173.978 0.3 . 1 . . . . 105 C C . 16928 1 956 . 1 1 106 106 CYS CA C 13 56.438 0.3 . 1 . . . . 105 C CA . 16928 1 957 . 1 1 106 106 CYS CB C 13 29.936 0.3 . 1 . . . . 105 C CB . 16928 1 958 . 1 1 106 106 CYS N N 15 121.619 0.3 . 1 . . . . 105 C N . 16928 1 959 . 1 1 107 107 PHE H H 1 9.276 0.02 . 1 . . . . 106 F HN . 16928 1 960 . 1 1 107 107 PHE HA H 1 5.037 0.02 . 1 . . . . 106 F HA . 16928 1 961 . 1 1 107 107 PHE HB2 H 1 3.018 0.02 . 2 . . . . 106 F HB1 . 16928 1 962 . 1 1 107 107 PHE C C 13 171.650 0.3 . 1 . . . . 106 F C . 16928 1 963 . 1 1 107 107 PHE CA C 13 55.125 0.3 . 1 . . . . 106 F CA . 16928 1 964 . 1 1 107 107 PHE CB C 13 41.659 0.3 . 1 . . . . 106 F CB . 16928 1 965 . 1 1 107 107 PHE N N 15 127.405 0.3 . 1 . . . . 106 F N . 16928 1 966 . 1 1 108 108 LEU H H 1 8.860 0.02 . 1 . . . . 107 L HN . 16928 1 967 . 1 1 108 108 LEU HA H 1 4.477 0.02 . 1 . . . . 107 L HA . 16928 1 968 . 1 1 108 108 LEU HB2 H 1 1.774 0.02 . 2 . . . . 107 L HB1 . 16928 1 969 . 1 1 108 108 LEU HB3 H 1 1.380 0.02 . 2 . . . . 107 L HB2 . 16928 1 970 . 1 1 108 108 LEU HD11 H 1 0.701 0.02 . 4 . . . . 107 L HD11 . 16928 1 971 . 1 1 108 108 LEU HD12 H 1 0.701 0.02 . 4 . . . . 107 L HD11 . 16928 1 972 . 1 1 108 108 LEU HD13 H 1 0.701 0.02 . 4 . . . . 107 L HD11 . 16928 1 973 . 1 1 108 108 LEU C C 13 175.544 0.3 . 1 . . . . 107 L C . 16928 1 974 . 1 1 108 108 LEU CA C 13 54.127 0.3 . 1 . . . . 107 L CA . 16928 1 975 . 1 1 108 108 LEU CB C 13 43.335 0.3 . 1 . . . . 107 L CB . 16928 1 976 . 1 1 108 108 LEU CD1 C 13 25.819 0.3 . 2 . . . . 107 L CD1 . 16928 1 977 . 1 1 108 108 LEU CD2 C 13 24.214 0.3 . 2 . . . . 107 L CD2 . 16928 1 978 . 1 1 108 108 LEU CG C 13 27.737 0.3 . 1 . . . . 107 L CG . 16928 1 979 . 1 1 108 108 LEU N N 15 123.918 0.3 . 1 . . . . 107 L N . 16928 1 980 . 1 1 109 109 CYS H H 1 9.154 0.02 . 1 . . . . 108 C HN . 16928 1 981 . 1 1 109 109 CYS HA H 1 5.499 0.02 . 1 . . . . 108 C HA . 16928 1 982 . 1 1 109 109 CYS HB2 H 1 2.884 0.02 . 2 . . . . 108 C HB1 . 16928 1 983 . 1 1 109 109 CYS C C 13 171.937 0.3 . 1 . . . . 108 C C . 16928 1 984 . 1 1 109 109 CYS CA C 13 56.795 0.3 . 1 . . . . 108 C CA . 16928 1 985 . 1 1 109 109 CYS CB C 13 32.387 0.3 . 1 . . . . 108 C CB . 16928 1 986 . 1 1 109 109 CYS N N 15 126.645 0.3 . 1 . . . . 108 C N . 16928 1 987 . 1 1 110 110 LEU H H 1 9.337 0.02 . 1 . . . . 109 L HN . 16928 1 988 . 1 1 110 110 LEU HB2 H 1 1.594 0.02 . 2 . . . . 109 L HB1 . 16928 1 989 . 1 1 110 110 LEU HB3 H 1 1.457 0.02 . 2 . . . . 109 L HB2 . 16928 1 990 . 1 1 110 110 LEU HD11 H 1 0.824 0.02 . 4 . . . . 109 L HD11 . 16928 1 991 . 1 1 110 110 LEU HD12 H 1 0.824 0.02 . 4 . . . . 109 L HD11 . 16928 1 992 . 1 1 110 110 LEU HD13 H 1 0.824 0.02 . 4 . . . . 109 L HD11 . 16928 1 993 . 1 1 110 110 LEU HD21 H 1 0.41 0.02 . 4 . . . . 109 L HD21 . 16928 1 994 . 1 1 110 110 LEU HD22 H 1 0.41 0.02 . 4 . . . . 109 L HD21 . 16928 1 995 . 1 1 110 110 LEU HD23 H 1 0.41 0.02 . 4 . . . . 109 L HD21 . 16928 1 996 . 1 1 110 110 LEU C C 13 176.000 0.3 . 1 . . . . 109 L C . 16928 1 997 . 1 1 110 110 LEU CA C 13 53.715 0.3 . 1 . . . . 109 L CA . 16928 1 998 . 1 1 110 110 LEU CB C 13 43.634 0.3 . 1 . . . . 109 L CB . 16928 1 999 . 1 1 110 110 LEU CD1 C 13 25.525 0.3 . 2 . . . . 109 L CD1 . 16928 1 1000 . 1 1 110 110 LEU CG C 13 28.056 0.3 . 1 . . . . 109 L CG . 16928 1 1001 . 1 1 110 110 LEU N N 15 127.981 0.3 . 1 . . . . 109 L N . 16928 1 1002 . 1 1 111 111 VAL H H 1 9.301 0.02 . 1 . . . . 110 V HN . 16928 1 1003 . 1 1 111 111 VAL HA H 1 4.579 0.02 . 1 . . . . 110 V HA . 16928 1 1004 . 1 1 111 111 VAL HB H 1 1.887 0.02 . 1 . . . . 110 V HB . 16928 1 1005 . 1 1 111 111 VAL HG11 H 1 0.800 0.02 . 4 . . . . 110 V HG11 . 16928 1 1006 . 1 1 111 111 VAL HG12 H 1 0.800 0.02 . 4 . . . . 110 V HG11 . 16928 1 1007 . 1 1 111 111 VAL HG13 H 1 0.800 0.02 . 4 . . . . 110 V HG11 . 16928 1 1008 . 1 1 111 111 VAL HG21 H 1 0.393 0.02 . 4 . . . . 110 V HG21 . 16928 1 1009 . 1 1 111 111 VAL HG22 H 1 0.393 0.02 . 4 . . . . 110 V HG21 . 16928 1 1010 . 1 1 111 111 VAL HG23 H 1 0.393 0.02 . 4 . . . . 110 V HG21 . 16928 1 1011 . 1 1 111 111 VAL C C 13 174.361 0.3 . 1 . . . . 110 V C . 16928 1 1012 . 1 1 111 111 VAL CA C 13 60.883 0.3 . 1 . . . . 110 V CA . 16928 1 1013 . 1 1 111 111 VAL CB C 13 33.439 0.3 . 1 . . . . 110 V CB . 16928 1 1014 . 1 1 111 111 VAL CG1 C 13 24.170 0.3 . 2 . . . . 110 V CG1 . 16928 1 1015 . 1 1 111 111 VAL CG2 C 13 21.724 0.3 . 2 . . . . 110 V CG2 . 16928 1 1016 . 1 1 111 111 VAL N N 15 129.195 0.3 . 1 . . . . 110 V N . 16928 1 1017 . 1 1 112 112 ASP H H 1 8.881 0.02 . 1 . . . . 111 D HN . 16928 1 1018 . 1 1 112 112 ASP HA H 1 5.295 0.02 . 1 . . . . 111 D HA . 16928 1 1019 . 1 1 112 112 ASP HB2 H 1 2.703 0.02 . 2 . . . . 111 D HB1 . 16928 1 1020 . 1 1 112 112 ASP C C 13 174.505 0.3 . 1 . . . . 111 D C . 16928 1 1021 . 1 1 112 112 ASP CA C 13 52.141 0.3 . 1 . . . . 111 D CA . 16928 1 1022 . 1 1 112 112 ASP CB C 13 42.772 0.3 . 1 . . . . 111 D CB . 16928 1 1023 . 1 1 112 112 ASP N N 15 127.124 0.3 . 1 . . . . 111 D N . 16928 1 1024 . 1 1 113 113 VAL H H 1 9.264 0.02 . 1 . . . . 112 V HN . 16928 1 1025 . 1 1 113 113 VAL HA H 1 4.336 0.02 . 1 . . . . 112 V HA . 16928 1 1026 . 1 1 113 113 VAL HB H 1 2.164 0.02 . 1 . . . . 112 V HB . 16928 1 1027 . 1 1 113 113 VAL HG11 H 1 0.685 0.02 . 4 . . . . 112 V HG11 . 16928 1 1028 . 1 1 113 113 VAL HG12 H 1 0.685 0.02 . 4 . . . . 112 V HG11 . 16928 1 1029 . 1 1 113 113 VAL HG13 H 1 0.685 0.02 . 4 . . . . 112 V HG11 . 16928 1 1030 . 1 1 113 113 VAL HG21 H 1 0.648 0.02 . 4 . . . . 112 V HG21 . 16928 1 1031 . 1 1 113 113 VAL HG22 H 1 0.648 0.02 . 4 . . . . 112 V HG21 . 16928 1 1032 . 1 1 113 113 VAL HG23 H 1 0.648 0.02 . 4 . . . . 112 V HG21 . 16928 1 1033 . 1 1 113 113 VAL C C 13 174.708 0.3 . 1 . . . . 112 V C . 16928 1 1034 . 1 1 113 113 VAL CA C 13 62.551 0.3 . 1 . . . . 112 V CA . 16928 1 1035 . 1 1 113 113 VAL CB C 13 32.441 0.3 . 1 . . . . 112 V CB . 16928 1 1036 . 1 1 113 113 VAL CG1 C 13 22.904 0.3 . 2 . . . . 112 V CG1 . 16928 1 1037 . 1 1 113 113 VAL CG2 C 13 21.109 0.3 . 2 . . . . 112 V CG2 . 16928 1 1038 . 1 1 113 113 VAL N N 15 126.384 0.3 . 1 . . . . 112 V N . 16928 1 1039 . 1 1 114 114 VAL H H 1 9.452 0.02 . 1 . . . . 113 V HN . 16928 1 1040 . 1 1 114 114 VAL HA H 1 4.564 0.02 . 1 . . . . 113 V HA . 16928 1 1041 . 1 1 114 114 VAL C C 13 174.210 0.3 . 1 . . . . 113 V C . 16928 1 1042 . 1 1 114 114 VAL CA C 13 59.635 0.3 . 1 . . . . 113 V CA . 16928 1 1043 . 1 1 114 114 VAL CB C 13 34.939 0.3 . 1 . . . . 113 V CB . 16928 1 1044 . 1 1 114 114 VAL N N 15 126.852 0.3 . 1 . . . . 113 V N . 16928 1 1045 . 1 1 115 115 PRO HA H 1 4.318 0.02 . 1 . . . . 114 P HA . 16928 1 1046 . 1 1 115 115 PRO HB2 H 1 2.027 0.02 . 2 . . . . 114 P HB1 . 16928 1 1047 . 1 1 115 115 PRO HB3 H 1 1.593 0.02 . 2 . . . . 114 P HB2 . 16928 1 1048 . 1 1 115 115 PRO CD C 13 51.750 0.3 . 1 . . . . 114 P CD . 16928 1 1049 . 1 1 115 115 PRO CG C 13 27.855 0.3 . 1 . . . . 114 P CG . 16928 1 1050 . 1 1 116 116 VAL H H 1 8.496 0.02 . 1 . . . . 115 V HN . 16928 1 1051 . 1 1 116 116 VAL HA H 1 4.130 0.02 . 1 . . . . 115 V HA . 16928 1 1052 . 1 1 116 116 VAL HB H 1 1.790 0.02 . 1 . . . . 115 V HB . 16928 1 1053 . 1 1 116 116 VAL HG21 H 1 0.828 0.02 . 4 . . . . 115 V HG21 . 16928 1 1054 . 1 1 116 116 VAL HG22 H 1 0.828 0.02 . 4 . . . . 115 V HG21 . 16928 1 1055 . 1 1 116 116 VAL HG23 H 1 0.828 0.02 . 4 . . . . 115 V HG21 . 16928 1 1056 . 1 1 116 116 VAL C C 13 174.856 0.3 . 1 . . . . 115 V C . 16928 1 1057 . 1 1 116 116 VAL CA C 13 62.152 0.3 . 1 . . . . 115 V CA . 16928 1 1058 . 1 1 116 116 VAL CB C 13 33.141 0.3 . 1 . . . . 115 V CB . 16928 1 1059 . 1 1 116 116 VAL CG1 C 13 21.706 0.3 . 2 . . . . 115 V CG1 . 16928 1 1060 . 1 1 116 116 VAL N N 15 124.469 0.3 . 1 . . . . 115 V N . 16928 1 1061 . 1 1 117 117 LYS H H 1 8.568 0.02 . 1 . . . . 116 K HN . 16928 1 1062 . 1 1 117 117 LYS HA H 1 5.319 0.02 . 1 . . . . 116 K HA . 16928 1 1063 . 1 1 117 117 LYS HB2 H 1 1.655 0.02 . 2 . . . . 116 K HB1 . 16928 1 1064 . 1 1 117 117 LYS HG2 H 1 1.093 0.02 . 2 . . . . 116 K HG1 . 16928 1 1065 . 1 1 117 117 LYS C C 13 176.972 0.3 . 1 . . . . 116 K C . 16928 1 1066 . 1 1 117 117 LYS CA C 13 54.509 0.3 . 1 . . . . 116 K CA . 16928 1 1067 . 1 1 117 117 LYS CB C 13 36.061 0.3 . 1 . . . . 116 K CB . 16928 1 1068 . 1 1 117 117 LYS CE C 13 43.078 0.3 . 1 . . . . 116 K CE . 16928 1 1069 . 1 1 117 117 LYS CG C 13 28.824 0.3 . 1 . . . . 116 K CG . 16928 1 1070 . 1 1 117 117 LYS N N 15 126.547 0.3 . 1 . . . . 116 K N . 16928 1 1071 . 1 1 118 118 ASN H H 1 8.434 0.02 . 1 . . . . 117 N HN . 16928 1 1072 . 1 1 118 118 ASN HA H 1 4.744 0.02 . 1 . . . . 117 N HA . 16928 1 1073 . 1 1 118 118 ASN HB2 H 1 3.485 0.02 . 2 . . . . 117 N HB1 . 16928 1 1074 . 1 1 118 118 ASN HB3 H 1 2.694 0.02 . 2 . . . . 117 N HB2 . 16928 1 1075 . 1 1 118 118 ASN HD21 H 1 7.559 0.02 . 2 . . . . 117 N HD21 . 16928 1 1076 . 1 1 118 118 ASN HD22 H 1 7.305 0.02 . 2 . . . . 117 N HD22 . 16928 1 1077 . 1 1 118 118 ASN C C 13 177.574 0.3 . 1 . . . . 117 N C . 16928 1 1078 . 1 1 118 118 ASN CA C 13 50.492 0.3 . 1 . . . . 117 N CA . 16928 1 1079 . 1 1 118 118 ASN CB C 13 39.095 0.3 . 1 . . . . 117 N CB . 16928 1 1080 . 1 1 118 118 ASN N N 15 117.981 0.3 . 1 . . . . 117 N N . 16928 1 1081 . 1 1 118 118 ASN ND2 N 15 111.679 0.3 . 1 . . . . 117 N ND2 . 16928 1 1082 . 1 1 119 119 GLU H H 1 9.161 0.02 . 1 . . . . 118 E HN . 16928 1 1083 . 1 1 119 119 GLU HA H 1 4.069 0.02 . 1 . . . . 118 E HA . 16928 1 1084 . 1 1 119 119 GLU HB2 H 1 2.063 0.02 . 2 . . . . 118 E HB1 . 16928 1 1085 . 1 1 119 119 GLU C C 13 176.931 0.3 . 1 . . . . 118 E C . 16928 1 1086 . 1 1 119 119 GLU CA C 13 59.326 0.3 . 1 . . . . 118 E CA . 16928 1 1087 . 1 1 119 119 GLU CB C 13 29.155 0.3 . 1 . . . . 118 E CB . 16928 1 1088 . 1 1 119 119 GLU CG C 13 37.304 0.3 . 1 . . . . 118 E CG . 16928 1 1089 . 1 1 119 119 GLU N N 15 119.133 0.3 . 1 . . . . 118 E N . 16928 1 1090 . 1 1 120 120 ASP H H 1 7.381 0.02 . 1 . . . . 119 D HN . 16928 1 1091 . 1 1 120 120 ASP HA H 1 4.756 0.02 . 1 . . . . 119 D HA . 16928 1 1092 . 1 1 120 120 ASP HB2 H 1 2.811 0.02 . 2 . . . . 119 D HB1 . 16928 1 1093 . 1 1 120 120 ASP HB3 H 1 2.620 0.02 . 2 . . . . 119 D HB2 . 16928 1 1094 . 1 1 120 120 ASP C C 13 176.538 0.3 . 1 . . . . 119 D C . 16928 1 1095 . 1 1 120 120 ASP CA C 13 54.368 0.3 . 1 . . . . 119 D CA . 16928 1 1096 . 1 1 120 120 ASP CB C 13 41.746 0.3 . 1 . . . . 119 D CB . 16928 1 1097 . 1 1 120 120 ASP N N 15 117.059 0.3 . 1 . . . . 119 D N . 16928 1 1098 . 1 1 121 121 GLY H H 1 8.011 0.02 . 1 . . . . 120 G HN . 16928 1 1099 . 1 1 121 121 GLY HA2 H 1 4.318 0.02 . 2 . . . . 120 G HA1 . 16928 1 1100 . 1 1 121 121 GLY HA3 H 1 3.592 0.02 . 2 . . . . 120 G HA2 . 16928 1 1101 . 1 1 121 121 GLY C C 13 173.088 0.3 . 1 . . . . 120 G C . 16928 1 1102 . 1 1 121 121 GLY CA C 13 45.306 0.3 . 1 . . . . 120 G CA . 16928 1 1103 . 1 1 121 121 GLY N N 15 107.721 0.3 . 1 . . . . 120 G N . 16928 1 1104 . 1 1 122 122 ALA H H 1 7.739 0.02 . 1 . . . . 121 A HN . 16928 1 1105 . 1 1 122 122 ALA HA H 1 4.385 0.02 . 1 . . . . 121 A HA . 16928 1 1106 . 1 1 122 122 ALA HB1 H 1 1.253 0.02 . 1 . . . . 121 A HB1 . 16928 1 1107 . 1 1 122 122 ALA HB2 H 1 1.253 0.02 . 1 . . . . 121 A HB1 . 16928 1 1108 . 1 1 122 122 ALA HB3 H 1 1.253 0.02 . 1 . . . . 121 A HB1 . 16928 1 1109 . 1 1 122 122 ALA C C 13 177.076 0.3 . 1 . . . . 121 A C . 16928 1 1110 . 1 1 122 122 ALA CA C 13 51.013 0.3 . 1 . . . . 121 A CA . 16928 1 1111 . 1 1 122 122 ALA CB C 13 19.527 0.3 . 1 . . . . 121 A CB . 16928 1 1112 . 1 1 122 122 ALA N N 15 124.036 0.3 . 1 . . . . 121 A N . 16928 1 1113 . 1 1 123 123 VAL H H 1 8.601 0.02 . 1 . . . . 122 V HN . 16928 1 1114 . 1 1 123 123 VAL HA H 1 3.808 0.02 . 1 . . . . 122 V HA . 16928 1 1115 . 1 1 123 123 VAL HB H 1 2.000 0.02 . 1 . . . . 122 V HB . 16928 1 1116 . 1 1 123 123 VAL HG11 H 1 0.278 0.02 . 4 . . . . 122 V HG11 . 16928 1 1117 . 1 1 123 123 VAL HG12 H 1 0.278 0.02 . 4 . . . . 122 V HG11 . 16928 1 1118 . 1 1 123 123 VAL HG13 H 1 0.278 0.02 . 4 . . . . 122 V HG11 . 16928 1 1119 . 1 1 123 123 VAL HG21 H 1 0.802 0.02 . 4 . . . . 122 V HG21 . 16928 1 1120 . 1 1 123 123 VAL HG22 H 1 0.802 0.02 . 4 . . . . 122 V HG21 . 16928 1 1121 . 1 1 123 123 VAL HG23 H 1 0.802 0.02 . 4 . . . . 122 V HG21 . 16928 1 1122 . 1 1 123 123 VAL C C 13 176.325 0.3 . 1 . . . . 122 V C . 16928 1 1123 . 1 1 123 123 VAL CA C 13 63.729 0.3 . 1 . . . . 122 V CA . 16928 1 1124 . 1 1 123 123 VAL CB C 13 31.548 0.3 . 1 . . . . 122 V CB . 16928 1 1125 . 1 1 123 123 VAL CG1 C 13 22.988 0.3 . 2 . . . . 122 V CG1 . 16928 1 1126 . 1 1 123 123 VAL CG2 C 13 21.375 0.3 . 2 . . . . 122 V CG2 . 16928 1 1127 . 1 1 123 123 VAL N N 15 122.134 0.3 . 1 . . . . 122 V N . 16928 1 1128 . 1 1 124 124 ILE H H 1 8.580 0.02 . 1 . . . . 123 I HN . 16928 1 1129 . 1 1 124 124 ILE HA H 1 4.479 0.02 . 1 . . . . 123 I HA . 16928 1 1130 . 1 1 124 124 ILE HB H 1 1.860 0.02 . 1 . . . . 123 I HB . 16928 1 1131 . 1 1 124 124 ILE HD11 H 1 0.893 0.02 . 1 . . . . 123 I HD11 . 16928 1 1132 . 1 1 124 124 ILE HD12 H 1 0.893 0.02 . 1 . . . . 123 I HD11 . 16928 1 1133 . 1 1 124 124 ILE HD13 H 1 0.893 0.02 . 1 . . . . 123 I HD11 . 16928 1 1134 . 1 1 124 124 ILE HG21 H 1 0.821 0.02 . 4 . . . . 123 I HG21 . 16928 1 1135 . 1 1 124 124 ILE HG22 H 1 0.821 0.02 . 4 . . . . 123 I HG21 . 16928 1 1136 . 1 1 124 124 ILE HG23 H 1 0.821 0.02 . 4 . . . . 123 I HG21 . 16928 1 1137 . 1 1 124 124 ILE C C 13 176.419 0.3 . 1 . . . . 123 I C . 16928 1 1138 . 1 1 124 124 ILE CA C 13 61.418 0.3 . 1 . . . . 123 I CA . 16928 1 1139 . 1 1 124 124 ILE CB C 13 40.338 0.3 . 1 . . . . 123 I CB . 16928 1 1140 . 1 1 124 124 ILE CD1 C 13 14.615 0.3 . 1 . . . . 123 I CD1 . 16928 1 1141 . 1 1 124 124 ILE CG1 C 13 27.129 0.3 . 2 . . . . 123 I CG1 . 16928 1 1142 . 1 1 124 124 ILE CG2 C 13 19.723 0.3 . 2 . . . . 123 I CG2 . 16928 1 1143 . 1 1 124 124 ILE N N 15 120.592 0.3 . 1 . . . . 123 I N . 16928 1 1144 . 1 1 125 125 MET H H 1 7.833 0.02 . 1 . . . . 124 M HN . 16928 1 1145 . 1 1 125 125 MET HA H 1 5.196 0.02 . 1 . . . . 124 M HA . 16928 1 1146 . 1 1 125 125 MET HB2 H 1 2.208 0.02 . 2 . . . . 124 M HB1 . 16928 1 1147 . 1 1 125 125 MET HB3 H 1 1.700 0.02 . 2 . . . . 124 M HB2 . 16928 1 1148 . 1 1 125 125 MET HG2 H 1 2.648 0.02 . 2 . . . . 124 M HG1 . 16928 1 1149 . 1 1 125 125 MET C C 13 172.531 0.3 . 1 . . . . 124 M C . 16928 1 1150 . 1 1 125 125 MET CA C 13 54.740 0.3 . 1 . . . . 124 M CA . 16928 1 1151 . 1 1 125 125 MET CB C 13 39.355 0.3 . 1 . . . . 124 M CB . 16928 1 1152 . 1 1 125 125 MET CG C 13 34.632 0.3 . 1 . . . . 124 M CG . 16928 1 1153 . 1 1 125 125 MET N N 15 120.335 0.3 . 1 . . . . 124 M N . 16928 1 1154 . 1 1 126 126 PHE H H 1 8.608 0.02 . 1 . . . . 125 F HN . 16928 1 1155 . 1 1 126 126 PHE HA H 1 5.204 0.02 . 1 . . . . 125 F HA . 16928 1 1156 . 1 1 126 126 PHE HB2 H 1 2.571 0.02 . 2 . . . . 125 F HB1 . 16928 1 1157 . 1 1 126 126 PHE C C 13 174.624 0.3 . 1 . . . . 125 F C . 16928 1 1158 . 1 1 126 126 PHE CA C 13 57.592 0.3 . 1 . . . . 125 F CA . 16928 1 1159 . 1 1 126 126 PHE CB C 13 44.430 0.3 . 1 . . . . 125 F CB . 16928 1 1160 . 1 1 126 126 PHE N N 15 115.003 0.3 . 1 . . . . 125 F N . 16928 1 1161 . 1 1 127 127 ILE H H 1 9.204 0.02 . 1 . . . . 126 I HN . 16928 1 1162 . 1 1 127 127 ILE HA H 1 4.821 0.02 . 1 . . . . 126 I HA . 16928 1 1163 . 1 1 127 127 ILE HB H 1 1.499 0.02 . 1 . . . . 126 I HB . 16928 1 1164 . 1 1 127 127 ILE HD11 H 1 0.338 0.02 . 1 . . . . 126 I HD11 . 16928 1 1165 . 1 1 127 127 ILE HD12 H 1 0.338 0.02 . 1 . . . . 126 I HD11 . 16928 1 1166 . 1 1 127 127 ILE HD13 H 1 0.338 0.02 . 1 . . . . 126 I HD11 . 16928 1 1167 . 1 1 127 127 ILE HG12 H 1 1.057 0.02 . 9 . . . . 126 I HG12 . 16928 1 1168 . 1 1 127 127 ILE HG21 H 1 0.686 0.02 . 4 . . . . 126 I HG21 . 16928 1 1169 . 1 1 127 127 ILE HG22 H 1 0.686 0.02 . 4 . . . . 126 I HG21 . 16928 1 1170 . 1 1 127 127 ILE HG23 H 1 0.686 0.02 . 4 . . . . 126 I HG21 . 16928 1 1171 . 1 1 127 127 ILE C C 13 175.136 0.3 . 1 . . . . 126 I C . 16928 1 1172 . 1 1 127 127 ILE CA C 13 59.951 0.3 . 1 . . . . 126 I CA . 16928 1 1173 . 1 1 127 127 ILE CB C 13 40.162 0.3 . 1 . . . . 126 I CB . 16928 1 1174 . 1 1 127 127 ILE CD1 C 13 15.238 0.3 . 1 . . . . 126 I CD1 . 16928 1 1175 . 1 1 127 127 ILE CG1 C 13 28.719 0.3 . 2 . . . . 126 I CG1 . 16928 1 1176 . 1 1 127 127 ILE CG2 C 13 18.433 0.3 . 2 . . . . 126 I CG2 . 16928 1 1177 . 1 1 127 127 ILE N N 15 122.698 0.3 . 1 . . . . 126 I N . 16928 1 1178 . 1 1 128 128 LEU H H 1 8.874 0.02 . 1 . . . . 127 L HN . 16928 1 1179 . 1 1 128 128 LEU HA H 1 5.481 0.02 . 1 . . . . 127 L HA . 16928 1 1180 . 1 1 128 128 LEU HB2 H 1 1.579 0.02 . 2 . . . . 127 L HB1 . 16928 1 1181 . 1 1 128 128 LEU HB3 H 1 1.199 0.02 . 2 . . . . 127 L HB2 . 16928 1 1182 . 1 1 128 128 LEU HD11 H 1 0.762 0.02 . 4 . . . . 127 L HD11 . 16928 1 1183 . 1 1 128 128 LEU HD12 H 1 0.762 0.02 . 4 . . . . 127 L HD11 . 16928 1 1184 . 1 1 128 128 LEU HD13 H 1 0.762 0.02 . 4 . . . . 127 L HD11 . 16928 1 1185 . 1 1 128 128 LEU HD21 H 1 0.384 0.02 . 4 . . . . 127 L HD21 . 16928 1 1186 . 1 1 128 128 LEU HD22 H 1 0.384 0.02 . 4 . . . . 127 L HD21 . 16928 1 1187 . 1 1 128 128 LEU HD23 H 1 0.384 0.02 . 4 . . . . 127 L HD21 . 16928 1 1188 . 1 1 128 128 LEU C C 13 174.356 0.3 . 1 . . . . 127 L C . 16928 1 1189 . 1 1 128 128 LEU CA C 13 55.881 0.3 . 1 . . . . 127 L CA . 16928 1 1190 . 1 1 128 128 LEU CB C 13 43.250 0.3 . 1 . . . . 127 L CB . 16928 1 1191 . 1 1 128 128 LEU CD1 C 13 27.437 0.3 . 2 . . . . 127 L CD1 . 16928 1 1192 . 1 1 128 128 LEU CD2 C 13 25.511 0.3 . 2 . . . . 127 L CD2 . 16928 1 1193 . 1 1 128 128 LEU N N 15 128.019 0.3 . 1 . . . . 127 L N . 16928 1 1194 . 1 1 129 129 ASN H H 1 8.698 0.02 . 1 . . . . 128 N HN . 16928 1 1195 . 1 1 129 129 ASN HA H 1 5.366 0.02 . 1 . . . . 128 N HA . 16928 1 1196 . 1 1 129 129 ASN HB2 H 1 3.001 0.02 . 2 . . . . 128 N HB1 . 16928 1 1197 . 1 1 129 129 ASN HB3 H 1 2.782 0.02 . 2 . . . . 128 N HB2 . 16928 1 1198 . 1 1 129 129 ASN HD21 H 1 7.454 0.02 . 2 . . . . 128 N HD21 . 16928 1 1199 . 1 1 129 129 ASN HD22 H 1 6.355 0.02 . 2 . . . . 128 N HD22 . 16928 1 1200 . 1 1 129 129 ASN C C 13 174.349 0.3 . 1 . . . . 128 N C . 16928 1 1201 . 1 1 129 129 ASN CA C 13 52.117 0.3 . 1 . . . . 128 N CA . 16928 1 1202 . 1 1 129 129 ASN CB C 13 43.140 0.3 . 1 . . . . 128 N CB . 16928 1 1203 . 1 1 129 129 ASN N N 15 121.250 0.3 . 1 . . . . 128 N N . 16928 1 1204 . 1 1 129 129 ASN ND2 N 15 118.354 0.3 . 1 . . . . 128 N ND2 . 16928 1 1205 . 1 1 130 130 PHE H H 1 9.153 0.02 . 1 . . . . 129 F HN . 16928 1 1206 . 1 1 130 130 PHE HA H 1 4.975 0.02 . 1 . . . . 129 F HA . 16928 1 1207 . 1 1 130 130 PHE C C 13 175.288 0.3 . 1 . . . . 129 F C . 16928 1 1208 . 1 1 130 130 PHE CA C 13 57.670 0.3 . 1 . . . . 129 F CA . 16928 1 1209 . 1 1 130 130 PHE CB C 13 41.844 0.3 . 1 . . . . 129 F CB . 16928 1 1210 . 1 1 130 130 PHE N N 15 122.197 0.3 . 1 . . . . 129 F N . 16928 1 1211 . 1 1 131 131 GLU H H 1 8.684 0.02 . 1 . . . . 130 E HN . 16928 1 1212 . 1 1 131 131 GLU HA H 1 4.931 0.02 . 1 . . . . 130 E HA . 16928 1 1213 . 1 1 131 131 GLU HB2 H 1 2.139 0.02 . 2 . . . . 130 E HB1 . 16928 1 1214 . 1 1 131 131 GLU C C 13 175.088 0.3 . 1 . . . . 130 E C . 16928 1 1215 . 1 1 131 131 GLU CA C 13 54.699 0.3 . 1 . . . . 130 E CA . 16928 1 1216 . 1 1 131 131 GLU CB C 13 33.356 0.3 . 1 . . . . 130 E CB . 16928 1 1217 . 1 1 131 131 GLU CG C 13 37.128 0.3 . 1 . . . . 130 E CG . 16928 1 1218 . 1 1 131 131 GLU N N 15 123.339 0.3 . 1 . . . . 130 E N . 16928 1 1219 . 1 1 132 132 VAL H H 1 8.990 0.02 . 1 . . . . 131 V HN . 16928 1 1220 . 1 1 132 132 VAL HA H 1 4.323 0.02 . 1 . . . . 131 V HA . 16928 1 1221 . 1 1 132 132 VAL HB H 1 2.062 0.02 . 1 . . . . 131 V HB . 16928 1 1222 . 1 1 132 132 VAL HG21 H 1 0.918 0.02 . 4 . . . . 131 V HG21 . 16928 1 1223 . 1 1 132 132 VAL HG22 H 1 0.918 0.02 . 4 . . . . 131 V HG21 . 16928 1 1224 . 1 1 132 132 VAL HG23 H 1 0.918 0.02 . 4 . . . . 131 V HG21 . 16928 1 1225 . 1 1 132 132 VAL C C 13 176.181 0.3 . 1 . . . . 131 V C . 16928 1 1226 . 1 1 132 132 VAL CA C 13 64.039 0.3 . 1 . . . . 131 V CA . 16928 1 1227 . 1 1 132 132 VAL CB C 13 32.676 0.3 . 1 . . . . 131 V CB . 16928 1 1228 . 1 1 132 132 VAL CG1 C 13 24.052 0.3 . 2 . . . . 131 V CG1 . 16928 1 1229 . 1 1 132 132 VAL CG2 C 13 22.344 0.3 . 2 . . . . 131 V CG2 . 16928 1 1230 . 1 1 132 132 VAL N N 15 126.221 0.3 . 1 . . . . 131 V N . 16928 1 1231 . 1 1 133 133 VAL H H 1 8.848 0.02 . 1 . . . . 132 V HN . 16928 1 1232 . 1 1 133 133 VAL HA H 1 4.132 0.02 . 1 . . . . 132 V HA . 16928 1 1233 . 1 1 133 133 VAL HB H 1 1.814 0.02 . 1 . . . . 132 V HB . 16928 1 1234 . 1 1 133 133 VAL HG11 H 1 0.864 0.02 . 4 . . . . 132 V HG11 . 16928 1 1235 . 1 1 133 133 VAL HG12 H 1 0.864 0.02 . 4 . . . . 132 V HG11 . 16928 1 1236 . 1 1 133 133 VAL HG13 H 1 0.864 0.02 . 4 . . . . 132 V HG11 . 16928 1 1237 . 1 1 133 133 VAL C C 13 175.623 0.3 . 1 . . . . 132 V C . 16928 1 1238 . 1 1 133 133 VAL CA C 13 62.736 0.3 . 1 . . . . 132 V CA . 16928 1 1239 . 1 1 133 133 VAL CB C 13 33.242 0.3 . 1 . . . . 132 V CB . 16928 1 1240 . 1 1 133 133 VAL CG1 C 13 22.188 0.3 . 2 . . . . 132 V CG1 . 16928 1 1241 . 1 1 133 133 VAL N N 15 129.191 0.3 . 1 . . . . 132 V N . 16928 1 1242 . 1 1 134 134 MET H H 1 8.157 0.02 . 1 . . . . 133 M HN . 16928 1 1243 . 1 1 134 134 MET HA H 1 4.623 0.02 . 1 . . . . 133 M HA . 16928 1 1244 . 1 1 134 134 MET HB2 H 1 2.136 0.02 . 2 . . . . 133 M HB1 . 16928 1 1245 . 1 1 134 134 MET HG2 H 1 2.486 0.02 . 2 . . . . 133 M HG1 . 16928 1 1246 . 1 1 134 134 MET C C 13 175.313 0.3 . 1 . . . . 133 M C . 16928 1 1247 . 1 1 134 134 MET CA C 13 55.154 0.3 . 1 . . . . 133 M CA . 16928 1 1248 . 1 1 134 134 MET CB C 13 33.949 0.3 . 1 . . . . 133 M CB . 16928 1 1249 . 1 1 134 134 MET CG C 13 32.555 0.3 . 1 . . . . 133 M CG . 16928 1 1250 . 1 1 134 134 MET N N 15 121.367 0.3 . 1 . . . . 133 M N . 16928 1 1251 . 1 1 135 135 GLU H H 1 8.583 0.02 . 1 . . . . 134 E HN . 16928 1 1252 . 1 1 135 135 GLU HA H 1 4.374 0.02 . 1 . . . . 134 E HA . 16928 1 1253 . 1 1 135 135 GLU HB2 H 1 2.161 0.02 . 2 . . . . 134 E HB1 . 16928 1 1254 . 1 1 135 135 GLU HB3 H 1 1.962 0.02 . 2 . . . . 134 E HB2 . 16928 1 1255 . 1 1 135 135 GLU C C 13 175.389 0.3 . 1 . . . . 134 E C . 16928 1 1256 . 1 1 135 135 GLU CA C 13 56.743 0.3 . 1 . . . . 134 E CA . 16928 1 1257 . 1 1 135 135 GLU CB C 13 30.802 0.3 . 1 . . . . 134 E CB . 16928 1 1258 . 1 1 135 135 GLU CG C 13 37.312 0.3 . 1 . . . . 134 E CG . 16928 1 1259 . 1 1 135 135 GLU N N 15 123.608 0.3 . 1 . . . . 134 E N . 16928 1 1260 . 1 1 136 136 LYS H H 1 8.073 0.02 . 1 . . . . 135 K HN . 16928 1 1261 . 1 1 136 136 LYS HA H 1 4.201 0.02 . 1 . . . . 135 K HA . 16928 1 1262 . 1 1 136 136 LYS C C 13 180.978 0.3 . 1 . . . . 135 K C . 16928 1 1263 . 1 1 136 136 LYS CA C 13 56.992 0.3 . 1 . . . . 135 K CA . 16928 1 1264 . 1 1 136 136 LYS CB C 13 34.187 0.3 . 1 . . . . 135 K CB . 16928 1 1265 . 1 1 136 136 LYS N N 15 127.686 0.3 . 1 . . . . 135 K N . 16928 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 12 16928 1 1 13 16928 1 1 14 16928 1 2 52 16928 1 2 53 16928 1 2 54 16928 1 2 55 16928 1 2 56 16928 1 2 57 16928 1 3 120 16928 1 3 121 16928 1 3 122 16928 1 4 262 16928 1 4 263 16928 1 4 264 16928 1 5 325 16928 1 5 326 16928 1 5 327 16928 1 6 453 16928 1 6 454 16928 1 6 455 16928 1 6 456 16928 1 6 457 16928 1 6 458 16928 1 7 524 16928 1 7 525 16928 1 7 526 16928 1 8 610 16928 1 8 611 16928 1 8 612 16928 1 8 613 16928 1 8 614 16928 1 8 615 16928 1 9 774 16928 1 9 775 16928 1 9 776 16928 1 9 777 16928 1 9 778 16928 1 9 779 16928 1 10 791 16928 1 10 792 16928 1 10 793 16928 1 11 856 16928 1 11 857 16928 1 11 858 16928 1 11 859 16928 1 11 860 16928 1 11 861 16928 1 12 970 16928 1 12 971 16928 1 12 972 16928 1 13 990 16928 1 13 991 16928 1 13 992 16928 1 13 993 16928 1 13 994 16928 1 13 995 16928 1 14 1005 16928 1 14 1006 16928 1 14 1007 16928 1 14 1008 16928 1 14 1009 16928 1 14 1010 16928 1 15 1027 16928 1 15 1028 16928 1 15 1029 16928 1 15 1030 16928 1 15 1031 16928 1 15 1032 16928 1 16 1053 16928 1 16 1054 16928 1 16 1055 16928 1 17 1116 16928 1 17 1117 16928 1 17 1118 16928 1 17 1119 16928 1 17 1120 16928 1 17 1121 16928 1 18 1134 16928 1 18 1135 16928 1 18 1136 16928 1 19 1168 16928 1 19 1169 16928 1 19 1170 16928 1 20 1182 16928 1 20 1183 16928 1 20 1184 16928 1 20 1185 16928 1 20 1186 16928 1 20 1187 16928 1 21 1222 16928 1 21 1223 16928 1 21 1224 16928 1 22 1234 16928 1 22 1235 16928 1 22 1236 16928 1 stop_ save_