data_17066 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17066 _Entry.Title ; SOLUTION NMR STRUCTURE OF THE N-TERMINAL PAS DOMAIN OF HERG POTASSIUM CHANNEL ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-19 _Entry.Accession_date 2010-07-19 _Entry.Last_release_date 2011-05-23 _Entry.Original_release_date 2011-05-23 _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 Jamie Vandenberg . I. . 17066 2 Chai Ng . A. . 17066 3 Mark Hunter . . . 17066 4 Mehdi Mobli . . . 17066 5 Glenn King . F. . 17066 6 Philip Kuchel . W. . 17066 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 17066 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID hERG . 17066 NMR . 17066 'PAS Domain' . 17066 'Voltage-gated Potassium Channel' . 17066 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17066 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 531 17066 '15N chemical shifts' 146 17066 '1H chemical shifts' 887 17066 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-23 2010-07-19 original author . 17066 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L0W 'BMRB Entry Tracking System' 17066 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17066 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21249148 _Citation.Full_citation . _Citation.Title 'The N-terminal tail of hERG contains an amphipathic -helix that regulates channel deactivation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 6 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Chai Ann' Ng . . . 17066 1 2 Mark Hunter . J. . 17066 1 3 Matthew Perry . D. . 17066 1 4 Mehdi Mobli . . . 17066 1 5 Ying Ke . . . 17066 1 6 Philip Kuchel . W. . 17066 1 7 Glenn King . F. . 17066 1 8 Daniela Stock . . . 17066 1 9 Jamie Vandenberg . I. . 17066 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17066 _Assembly.ID 1 _Assembly.Name 'N-Terminal PAS Domain of HERG K Channel' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 H_member_2 1 $H_member_2 A . yes native no no . . . 17066 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H_member_2 _Entity.Sf_category entity _Entity.Sf_framecode H_member_2 _Entity.Entry_ID 17066 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Potassium_voltage-gated_channel_subfamily_H_member_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SMPVRRGHVAPQNTFLDTII RKFEGQSRKFIIANARVENC AVIYCNDGFCELCGYSRAEV MQRPCTCDFLHGPRTQRRAA AQIAQALLGAEERKVEIAFY RKDGSCFLCLVDVVPVKNED GAVIMFILNFEVVMEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 1 is from TEV cleavage site. This polypeptide is the N-terminal PAS domain of hERG Potassium channel.' _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 man _Entity.Parent_entity_ID . _Entity.Fragment 'N-TERMINAL DOMAIN RESIDUES 1-135' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 45860.719 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16928 . hERG_NTD . . . . . 99.26 136 100.00 100.00 2.96e-93 . . . . 17066 1 2 no BMRB 16946 . hERG1-135 . . . . . 99.26 150 100.00 100.00 1.30e-93 . . . . 17066 1 3 no PDB 1BYW . "Structure Of The N-Terminal Domain Of The Human-Erg Potassium Channel" . . . . . 80.88 110 99.09 99.09 1.54e-71 . . . . 17066 1 4 no PDB 2L0W . "Solution Nmr Structure Of The N-Terminal Pas Domain Of Herg Potassium Channel" . . . . . 100.00 138 100.00 100.00 5.87e-94 . . . . 17066 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 1.30e-93 . . . . 17066 1 6 no PDB 2L4R . "Nmr Solution Structure Of The N-Terminal Pas Domain Of Herg" . . . . . 99.26 135 100.00 100.00 2.25e-93 . . . . 17066 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 2.96e-86 . . . . 17066 1 8 no PDB 4HQA . "Crystal Structure Of Pas Domain From The Human Erg (herg) Potassium Channel" . . . . . 100.00 137 100.00 100.00 4.37e-94 . . . . 17066 1 9 no DBJ BAA37096 . "HERG [Homo sapiens]" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 17066 1 10 no DBJ BAB19682 . "HERG-USO [Homo sapiens]" . . . . . 99.26 888 100.00 100.00 2.38e-92 . . . . 17066 1 11 no EMBL CAA09232 . "ether-a-go-go-related protein [Homo sapiens]" . . . . . 80.15 1133 100.00 100.00 7.50e-71 . . . . 17066 1 12 no EMBL CAB09536 . "r-ERG [Rattus norvegicus]" . . . . . 99.26 1163 100.00 100.00 4.65e-91 . . . . 17066 1 13 no EMBL CAB64868 . "potassium channel [Canis lupus familiaris]" . . . . . 99.26 1158 100.00 100.00 4.52e-91 . . . . 17066 1 14 no GB AAA62473 . "putative potassium channel subunit [Homo sapiens]" . . . . . 99.26 1159 100.00 100.00 4.54e-91 . . . . 17066 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 . . . . 17066 1 16 no GB AAC53420 . "Merg1a [Mus musculus]" . . . . . 99.26 1162 100.00 100.00 4.62e-91 . . . . 17066 1 17 no GB AAC53422 . "Merg1a' [Mus musculus]" . . . . . 55.88 1103 100.00 100.00 1.85e-44 . . . . 17066 1 18 no GB AAC99425 . "potassium channel protein ERG long isoform [Oryctolagus cuniculus]" . . . . . 89.71 122 100.00 100.00 1.54e-83 . . . . 17066 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 . . . . 17066 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 . . . . 17066 1 21 no REF NP_001092571 . "potassium voltage-gated channel subfamily H member 2 [Bos taurus]" . . . . . 99.26 849 100.00 100.00 6.33e-92 . . . . 17066 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 . . . . 17066 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 . . . . 17066 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 . . . . 17066 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 . . . . 17066 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 . . . . 17066 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 . . . . 17066 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 . . . . 17066 1 29 no TPG DAA30311 . "TPA: voltage-gated potassium channel, subfamily H, member 2 [Bos taurus]" . . . . . 99.26 783 100.00 100.00 2.32e-92 . . . . 17066 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 SER . 17066 1 2 1 MET . 17066 1 3 2 PRO . 17066 1 4 3 VAL . 17066 1 5 4 ARG . 17066 1 6 5 ARG . 17066 1 7 6 GLY . 17066 1 8 7 HIS . 17066 1 9 8 VAL . 17066 1 10 9 ALA . 17066 1 11 10 PRO . 17066 1 12 11 GLN . 17066 1 13 12 ASN . 17066 1 14 13 THR . 17066 1 15 14 PHE . 17066 1 16 15 LEU . 17066 1 17 16 ASP . 17066 1 18 17 THR . 17066 1 19 18 ILE . 17066 1 20 19 ILE . 17066 1 21 20 ARG . 17066 1 22 21 LYS . 17066 1 23 22 PHE . 17066 1 24 23 GLU . 17066 1 25 24 GLY . 17066 1 26 25 GLN . 17066 1 27 26 SER . 17066 1 28 27 ARG . 17066 1 29 28 LYS . 17066 1 30 29 PHE . 17066 1 31 30 ILE . 17066 1 32 31 ILE . 17066 1 33 32 ALA . 17066 1 34 33 ASN . 17066 1 35 34 ALA . 17066 1 36 35 ARG . 17066 1 37 36 VAL . 17066 1 38 37 GLU . 17066 1 39 38 ASN . 17066 1 40 39 CYS . 17066 1 41 40 ALA . 17066 1 42 41 VAL . 17066 1 43 42 ILE . 17066 1 44 43 TYR . 17066 1 45 44 CYS . 17066 1 46 45 ASN . 17066 1 47 46 ASP . 17066 1 48 47 GLY . 17066 1 49 48 PHE . 17066 1 50 49 CYS . 17066 1 51 50 GLU . 17066 1 52 51 LEU . 17066 1 53 52 CYS . 17066 1 54 53 GLY . 17066 1 55 54 TYR . 17066 1 56 55 SER . 17066 1 57 56 ARG . 17066 1 58 57 ALA . 17066 1 59 58 GLU . 17066 1 60 59 VAL . 17066 1 61 60 MET . 17066 1 62 61 GLN . 17066 1 63 62 ARG . 17066 1 64 63 PRO . 17066 1 65 64 CYS . 17066 1 66 65 THR . 17066 1 67 66 CYS . 17066 1 68 67 ASP . 17066 1 69 68 PHE . 17066 1 70 69 LEU . 17066 1 71 70 HIS . 17066 1 72 71 GLY . 17066 1 73 72 PRO . 17066 1 74 73 ARG . 17066 1 75 74 THR . 17066 1 76 75 GLN . 17066 1 77 76 ARG . 17066 1 78 77 ARG . 17066 1 79 78 ALA . 17066 1 80 79 ALA . 17066 1 81 80 ALA . 17066 1 82 81 GLN . 17066 1 83 82 ILE . 17066 1 84 83 ALA . 17066 1 85 84 GLN . 17066 1 86 85 ALA . 17066 1 87 86 LEU . 17066 1 88 87 LEU . 17066 1 89 88 GLY . 17066 1 90 89 ALA . 17066 1 91 90 GLU . 17066 1 92 91 GLU . 17066 1 93 92 ARG . 17066 1 94 93 LYS . 17066 1 95 94 VAL . 17066 1 96 95 GLU . 17066 1 97 96 ILE . 17066 1 98 97 ALA . 17066 1 99 98 PHE . 17066 1 100 99 TYR . 17066 1 101 100 ARG . 17066 1 102 101 LYS . 17066 1 103 102 ASP . 17066 1 104 103 GLY . 17066 1 105 104 SER . 17066 1 106 105 CYS . 17066 1 107 106 PHE . 17066 1 108 107 LEU . 17066 1 109 108 CYS . 17066 1 110 109 LEU . 17066 1 111 110 VAL . 17066 1 112 111 ASP . 17066 1 113 112 VAL . 17066 1 114 113 VAL . 17066 1 115 114 PRO . 17066 1 116 115 VAL . 17066 1 117 116 LYS . 17066 1 118 117 ASN . 17066 1 119 118 GLU . 17066 1 120 119 ASP . 17066 1 121 120 GLY . 17066 1 122 121 ALA . 17066 1 123 122 VAL . 17066 1 124 123 ILE . 17066 1 125 124 MET . 17066 1 126 125 PHE . 17066 1 127 126 ILE . 17066 1 128 127 LEU . 17066 1 129 128 ASN . 17066 1 130 129 PHE . 17066 1 131 130 GLU . 17066 1 132 131 VAL . 17066 1 133 132 VAL . 17066 1 134 133 MET . 17066 1 135 134 GLU . 17066 1 136 135 LYS . 17066 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 . SER 1 1 17066 1 . MET 2 2 17066 1 . PRO 3 3 17066 1 . VAL 4 4 17066 1 . ARG 5 5 17066 1 . ARG 6 6 17066 1 . GLY 7 7 17066 1 . HIS 8 8 17066 1 . VAL 9 9 17066 1 . ALA 10 10 17066 1 . PRO 11 11 17066 1 . GLN 12 12 17066 1 . ASN 13 13 17066 1 . THR 14 14 17066 1 . PHE 15 15 17066 1 . LEU 16 16 17066 1 . ASP 17 17 17066 1 . THR 18 18 17066 1 . ILE 19 19 17066 1 . ILE 20 20 17066 1 . ARG 21 21 17066 1 . LYS 22 22 17066 1 . PHE 23 23 17066 1 . GLU 24 24 17066 1 . GLY 25 25 17066 1 . GLN 26 26 17066 1 . SER 27 27 17066 1 . ARG 28 28 17066 1 . LYS 29 29 17066 1 . PHE 30 30 17066 1 . ILE 31 31 17066 1 . ILE 32 32 17066 1 . ALA 33 33 17066 1 . ASN 34 34 17066 1 . ALA 35 35 17066 1 . ARG 36 36 17066 1 . VAL 37 37 17066 1 . GLU 38 38 17066 1 . ASN 39 39 17066 1 . CYS 40 40 17066 1 . ALA 41 41 17066 1 . VAL 42 42 17066 1 . ILE 43 43 17066 1 . TYR 44 44 17066 1 . CYS 45 45 17066 1 . ASN 46 46 17066 1 . ASP 47 47 17066 1 . GLY 48 48 17066 1 . PHE 49 49 17066 1 . CYS 50 50 17066 1 . GLU 51 51 17066 1 . LEU 52 52 17066 1 . CYS 53 53 17066 1 . GLY 54 54 17066 1 . TYR 55 55 17066 1 . SER 56 56 17066 1 . ARG 57 57 17066 1 . ALA 58 58 17066 1 . GLU 59 59 17066 1 . VAL 60 60 17066 1 . MET 61 61 17066 1 . GLN 62 62 17066 1 . ARG 63 63 17066 1 . PRO 64 64 17066 1 . CYS 65 65 17066 1 . THR 66 66 17066 1 . CYS 67 67 17066 1 . ASP 68 68 17066 1 . PHE 69 69 17066 1 . LEU 70 70 17066 1 . HIS 71 71 17066 1 . GLY 72 72 17066 1 . PRO 73 73 17066 1 . ARG 74 74 17066 1 . THR 75 75 17066 1 . GLN 76 76 17066 1 . ARG 77 77 17066 1 . ARG 78 78 17066 1 . ALA 79 79 17066 1 . ALA 80 80 17066 1 . ALA 81 81 17066 1 . GLN 82 82 17066 1 . ILE 83 83 17066 1 . ALA 84 84 17066 1 . GLN 85 85 17066 1 . ALA 86 86 17066 1 . LEU 87 87 17066 1 . LEU 88 88 17066 1 . GLY 89 89 17066 1 . ALA 90 90 17066 1 . GLU 91 91 17066 1 . GLU 92 92 17066 1 . ARG 93 93 17066 1 . LYS 94 94 17066 1 . VAL 95 95 17066 1 . GLU 96 96 17066 1 . ILE 97 97 17066 1 . ALA 98 98 17066 1 . PHE 99 99 17066 1 . TYR 100 100 17066 1 . ARG 101 101 17066 1 . LYS 102 102 17066 1 . ASP 103 103 17066 1 . GLY 104 104 17066 1 . SER 105 105 17066 1 . CYS 106 106 17066 1 . PHE 107 107 17066 1 . LEU 108 108 17066 1 . CYS 109 109 17066 1 . LEU 110 110 17066 1 . VAL 111 111 17066 1 . ASP 112 112 17066 1 . VAL 113 113 17066 1 . VAL 114 114 17066 1 . PRO 115 115 17066 1 . VAL 116 116 17066 1 . LYS 117 117 17066 1 . ASN 118 118 17066 1 . GLU 119 119 17066 1 . ASP 120 120 17066 1 . GLY 121 121 17066 1 . ALA 122 122 17066 1 . VAL 123 123 17066 1 . ILE 124 124 17066 1 . MET 125 125 17066 1 . PHE 126 126 17066 1 . ILE 127 127 17066 1 . LEU 128 128 17066 1 . ASN 129 129 17066 1 . PHE 130 130 17066 1 . GLU 131 131 17066 1 . VAL 132 132 17066 1 . VAL 133 133 17066 1 . MET 134 134 17066 1 . GLU 135 135 17066 1 . LYS 136 136 17066 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 17066 _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 $H_member_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . 'Potassium voltage-gated channel, subfamily H (eag-related), member 2' . 'hERG_N-terminal PAS Domain Human 9606 Eukaryota Metazoa Homo sapiens' . . 17066 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 17066 _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 $H_member_2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 DE3 . . . . . . . . . . . . . . PGEXT2T . . . 'TEV cleavage site' . . 17066 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 17066 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N15 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17066 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17066 1 3 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 17066 1 4 D2O '[U-100% 2H]' . . . . . . 7 . . % . . . . 17066 1 5 'Octyl Glucoside' 'natural abundance' . . . . . . 5 . . mM . . . . 17066 1 6 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17066 1 7 'N15 labeled PAS' '[U-99% 15N]' . . 1 $H_member_2 . . 99 . . % . . . . 17066 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17066 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'N15 and C13 labeled protein, 10mM HEPES, 3mM TCEP, 5mM OCTYL GLUCOSIDE' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 17066 2 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17066 2 3 TCEP 'natural abundance' . . . . . . 3 . . mM . . . . 17066 2 4 D2O '[U-100% 2H]' . . . . . . 100 . . % . . . . 17066 2 5 'Octyl Glucoside' 'natural abundance' . . . . . . 5 . . mM . . . . 17066 2 6 'N15/C13 labeled PAS' '[U-99% 13C; U-99% 15N]' . . 1 $H_member_2 . . 99 . . % . . . . 17066 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 17066 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 17066 1 pH 6.9 . pH 17066 1 pressure 1 . atm 17066 1 temperature 298 . K 17066 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17066 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17066 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17066 1 refinement 17066 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 17066 _Software.ID 2 _Software.Name AMBER _Software.Version 10 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 17066 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 17066 2 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 17066 _Software.ID 3 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 17066 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17066 3 'data analysis' 17066 3 'peak picking' 17066 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17066 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17066 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Dihedral angles calculation' 17066 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17066 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17066 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17066 5 processing 17066 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17066 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model 'Avance II' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 17066 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 BRUKER 'Avance II' . 900 . . . 17066 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 17066 _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 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 6 '3D C(CO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 11 '3D HNCA' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17066 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 17066 _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 water protons . . . . ppm . internal indirect 0.251449530 . . . . . . . . . 17066 1 H 1 water protons . . . . ppm 4.6 na direct 1.0 . . . . . . . . . 17066 1 N 13 water protons . . . . ppm . internal indirect 0.101329118 . . . . . . . . . 17066 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 17066 _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 3 '2D 1H-15N HSQC' . . . 17066 1 4 '3D CBCA(CO)NH' . . . 17066 1 5 '3D HNCACB' . . . 17066 1 6 '3D C(CO)NH' . . . 17066 1 7 '3D H(CCO)NH' . . . 17066 1 8 '3D HNCO' . . . 17066 1 10 '3D HN(CO)CA' . . . 17066 1 12 '3D HCCH-TOCSY' . . . 17066 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $XEASY . . 17066 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 4.401 0.020 . 1 . . . . 2 PRO HA . 17066 1 2 . 1 1 3 3 PRO HB2 H 1 1.801 0.020 . 2 . . . . 2 PRO HB2 . 17066 1 3 . 1 1 3 3 PRO HB3 H 1 1.801 0.020 . 2 . . . . 2 PRO HB3 . 17066 1 4 . 1 1 3 3 PRO HG2 H 1 1.971 0.020 . 2 . . . . 2 PRO HG2 . 17066 1 5 . 1 1 3 3 PRO HG3 H 1 1.971 0.020 . 2 . . . . 2 PRO HG3 . 17066 1 6 . 1 1 3 3 PRO C C 13 175.980 0.400 . 1 . . . . 2 PRO C . 17066 1 7 . 1 1 3 3 PRO CA C 13 62.919 0.400 . 1 . . . . 2 PRO CA . 17066 1 8 . 1 1 3 3 PRO CB C 13 32.039 0.400 . 1 . . . . 2 PRO CB . 17066 1 9 . 1 1 3 3 PRO CG C 13 27.390 0.400 . 1 . . . . 2 PRO CG . 17066 1 10 . 1 1 4 4 VAL H H 1 8.408 0.020 . 1 . . . . 3 VAL H . 17066 1 11 . 1 1 4 4 VAL HA H 1 3.983 0.020 . 1 . . . . 3 VAL HA . 17066 1 12 . 1 1 4 4 VAL HB H 1 1.965 0.020 . 1 . . . . 3 VAL HB . 17066 1 13 . 1 1 4 4 VAL HG11 H 1 0.910 0.020 . 2 . . . . 3 VAL HG1 . 17066 1 14 . 1 1 4 4 VAL HG12 H 1 0.910 0.020 . 2 . . . . 3 VAL HG1 . 17066 1 15 . 1 1 4 4 VAL HG13 H 1 0.910 0.020 . 2 . . . . 3 VAL HG1 . 17066 1 16 . 1 1 4 4 VAL HG21 H 1 0.910 0.020 . 2 . . . . 3 VAL HG2 . 17066 1 17 . 1 1 4 4 VAL HG22 H 1 0.910 0.020 . 2 . . . . 3 VAL HG2 . 17066 1 18 . 1 1 4 4 VAL HG23 H 1 0.910 0.020 . 2 . . . . 3 VAL HG2 . 17066 1 19 . 1 1 4 4 VAL C C 13 176.257 0.400 . 1 . . . . 3 VAL C . 17066 1 20 . 1 1 4 4 VAL CA C 13 62.362 0.400 . 1 . . . . 3 VAL CA . 17066 1 21 . 1 1 4 4 VAL CB C 13 32.703 0.400 . 1 . . . . 3 VAL CB . 17066 1 22 . 1 1 4 4 VAL CG1 C 13 21.082 0.400 . 1 . . . . 3 VAL CG1 . 17066 1 23 . 1 1 4 4 VAL N N 15 120.554 0.400 . 1 . . . . 3 VAL N . 17066 1 24 . 1 1 5 5 ARG H H 1 8.401 0.020 . 1 . . . . 4 ARG H . 17066 1 25 . 1 1 5 5 ARG HA H 1 4.310 0.020 . 1 . . . . 4 ARG HA . 17066 1 26 . 1 1 5 5 ARG C C 13 175.881 0.400 . 1 . . . . 4 ARG C . 17066 1 27 . 1 1 5 5 ARG CA C 13 55.691 0.400 . 1 . . . . 4 ARG CA . 17066 1 28 . 1 1 5 5 ARG N N 15 125.551 0.400 . 1 . . . . 4 ARG N . 17066 1 29 . 1 1 6 6 ARG H H 1 8.421 0.020 . 1 . . . . 5 ARG H . 17066 1 30 . 1 1 6 6 ARG HA H 1 4.302 0.020 . 1 . . . . 5 ARG HA . 17066 1 31 . 1 1 6 6 ARG C C 13 176.612 0.400 . 1 . . . . 5 ARG C . 17066 1 32 . 1 1 6 6 ARG CA C 13 55.946 0.400 . 1 . . . . 5 ARG CA . 17066 1 33 . 1 1 6 6 ARG N N 15 123.281 0.400 . 1 . . . . 5 ARG N . 17066 1 34 . 1 1 7 7 GLY H H 1 8.435 0.020 . 1 . . . . 6 GLY H . 17066 1 35 . 1 1 7 7 GLY HA2 H 1 3.867 0.020 . 2 . . . . 6 GLY HA2 . 17066 1 36 . 1 1 7 7 GLY HA3 H 1 3.867 0.020 . 2 . . . . 6 GLY HA3 . 17066 1 37 . 1 1 7 7 GLY C C 13 179.931 0.400 . 1 . . . . 6 GLY C . 17066 1 38 . 1 1 7 7 GLY CA C 13 44.988 0.400 . 1 . . . . 6 GLY CA . 17066 1 39 . 1 1 7 7 GLY N N 15 110.049 0.400 . 1 . . . . 6 GLY N . 17066 1 40 . 1 1 8 8 HIS H H 1 8.317 0.020 . 1 . . . . 7 HIS H . 17066 1 41 . 1 1 8 8 HIS HA H 1 4.650 0.020 . 1 . . . . 7 HIS HA . 17066 1 42 . 1 1 8 8 HIS HB2 H 1 3.002 0.020 . 2 . . . . 7 HIS HB2 . 17066 1 43 . 1 1 8 8 HIS HB3 H 1 3.036 0.020 . 2 . . . . 7 HIS HB3 . 17066 1 44 . 1 1 8 8 HIS C C 13 175.051 0.400 . 1 . . . . 7 HIS C . 17066 1 45 . 1 1 8 8 HIS CA C 13 56.278 0.400 . 1 . . . . 7 HIS CA . 17066 1 46 . 1 1 8 8 HIS CB C 13 31.043 0.400 . 1 . . . . 7 HIS CB . 17066 1 47 . 1 1 8 8 HIS N N 15 119.124 0.400 . 1 . . . . 7 HIS N . 17066 1 48 . 1 1 9 9 VAL H H 1 8.144 0.020 . 1 . . . . 8 VAL H . 17066 1 49 . 1 1 9 9 VAL HA H 1 4.041 0.020 . 1 . . . . 8 VAL HA . 17066 1 50 . 1 1 9 9 VAL HB H 1 1.944 0.020 . 1 . . . . 8 VAL HB . 17066 1 51 . 1 1 9 9 VAL HG11 H 1 0.840 0.020 . 2 . . . . 8 VAL HG1 . 17066 1 52 . 1 1 9 9 VAL HG12 H 1 0.840 0.020 . 2 . . . . 8 VAL HG1 . 17066 1 53 . 1 1 9 9 VAL HG13 H 1 0.840 0.020 . 2 . . . . 8 VAL HG1 . 17066 1 54 . 1 1 9 9 VAL C C 13 174.538 0.400 . 1 . . . . 8 VAL C . 17066 1 55 . 1 1 9 9 VAL CA C 13 61.965 0.400 . 1 . . . . 8 VAL CA . 17066 1 56 . 1 1 9 9 VAL CB C 13 33.035 0.400 . 1 . . . . 8 VAL CB . 17066 1 57 . 1 1 9 9 VAL CG1 C 13 20.750 0.400 . 1 . . . . 8 VAL CG1 . 17066 1 58 . 1 1 9 9 VAL N N 15 121.093 0.400 . 1 . . . . 8 VAL N . 17066 1 59 . 1 1 10 10 ALA H H 1 8.188 0.020 . 1 . . . . 9 ALA H . 17066 1 60 . 1 1 10 10 ALA HA H 1 4.526 0.020 . 1 . . . . 9 ALA HA . 17066 1 61 . 1 1 10 10 ALA HB1 H 1 1.321 0.020 . 1 . . . . 9 ALA HB . 17066 1 62 . 1 1 10 10 ALA HB2 H 1 1.321 0.020 . 1 . . . . 9 ALA HB . 17066 1 63 . 1 1 10 10 ALA HB3 H 1 1.321 0.020 . 1 . . . . 9 ALA HB . 17066 1 64 . 1 1 10 10 ALA C C 13 175.500 0.400 . 1 . . . . 9 ALA C . 17066 1 65 . 1 1 10 10 ALA CA C 13 50.301 0.400 . 1 . . . . 9 ALA CA . 17066 1 66 . 1 1 10 10 ALA CB C 13 18.093 0.400 . 1 . . . . 9 ALA CB . 17066 1 67 . 1 1 10 10 ALA N N 15 126.984 0.400 . 1 . . . . 9 ALA N . 17066 1 68 . 1 1 11 11 PRO HA H 1 4.367 0.020 . 1 . . . . 10 PRO HA . 17066 1 69 . 1 1 11 11 PRO HB2 H 1 1.873 0.020 . 2 . . . . 10 PRO HB2 . 17066 1 70 . 1 1 11 11 PRO HB3 H 1 2.255 0.020 . 2 . . . . 10 PRO HB3 . 17066 1 71 . 1 1 11 11 PRO HD2 H 1 3.636 0.020 . 2 . . . . 10 PRO HD2 . 17066 1 72 . 1 1 11 11 PRO HD3 H 1 3.790 0.020 . 2 . . . . 10 PRO HD3 . 17066 1 73 . 1 1 11 11 PRO HG2 H 1 1.971 0.020 . 2 . . . . 10 PRO HG2 . 17066 1 74 . 1 1 11 11 PRO HG3 H 1 2.005 0.020 . 2 . . . . 10 PRO HG3 . 17066 1 75 . 1 1 11 11 PRO C C 13 176.928 0.400 . 1 . . . . 10 PRO C . 17066 1 76 . 1 1 11 11 PRO CA C 13 62.919 0.400 . 1 . . . . 10 PRO CA . 17066 1 77 . 1 1 11 11 PRO CB C 13 32.039 0.400 . 1 . . . . 10 PRO CB . 17066 1 78 . 1 1 11 11 PRO CD C 13 50.301 0.400 . 1 . . . . 10 PRO CD . 17066 1 79 . 1 1 11 11 PRO CG C 13 27.390 0.400 . 1 . . . . 10 PRO CG . 17066 1 80 . 1 1 12 12 GLN H H 1 8.536 0.020 . 1 . . . . 11 GLN H . 17066 1 81 . 1 1 12 12 GLN HA H 1 4.230 0.020 . 1 . . . . 11 GLN HA . 17066 1 82 . 1 1 12 12 GLN HB2 H 1 1.948 0.020 . 2 . . . . 11 GLN HB2 . 17066 1 83 . 1 1 12 12 GLN HB3 H 1 2.050 0.020 . 2 . . . . 11 GLN HB3 . 17066 1 84 . 1 1 12 12 GLN HE21 H 1 6.819 0.020 . 2 . . . . 11 GLN HE21 . 17066 1 85 . 1 1 12 12 GLN HE22 H 1 7.567 0.020 . 2 . . . . 11 GLN HE22 . 17066 1 86 . 1 1 12 12 GLN HG2 H 1 2.337 0.020 . 2 . . . . 11 GLN HG2 . 17066 1 87 . 1 1 12 12 GLN HG3 H 1 2.337 0.020 . 2 . . . . 11 GLN HG3 . 17066 1 88 . 1 1 12 12 GLN C C 13 176.000 0.400 . 1 . . . . 11 GLN C . 17066 1 89 . 1 1 12 12 GLN CA C 13 56.293 0.400 . 1 . . . . 11 GLN CA . 17066 1 90 . 1 1 12 12 GLN CB C 13 29.367 0.400 . 1 . . . . 11 GLN CB . 17066 1 91 . 1 1 12 12 GLN CG C 13 33.778 0.400 . 1 . . . . 11 GLN CG . 17066 1 92 . 1 1 12 12 GLN N N 15 120.332 0.400 . 1 . . . . 11 GLN N . 17066 1 93 . 1 1 12 12 GLN NE2 N 15 112.560 0.400 . 1 . . . . 11 GLN NE2 . 17066 1 94 . 1 1 13 13 ASN H H 1 8.547 0.020 . 1 . . . . 12 ASN H . 17066 1 95 . 1 1 13 13 ASN HA H 1 4.708 0.020 . 1 . . . . 12 ASN HA . 17066 1 96 . 1 1 13 13 ASN HB2 H 1 2.735 0.020 . 2 . . . . 12 ASN HB2 . 17066 1 97 . 1 1 13 13 ASN HB3 H 1 2.854 0.020 . 2 . . . . 12 ASN HB3 . 17066 1 98 . 1 1 13 13 ASN HD21 H 1 6.850 0.020 . 2 . . . . 12 ASN HD21 . 17066 1 99 . 1 1 13 13 ASN HD22 H 1 7.690 0.020 . 2 . . . . 12 ASN HD22 . 17066 1 100 . 1 1 13 13 ASN C C 13 175.565 0.400 . 1 . . . . 12 ASN C . 17066 1 101 . 1 1 13 13 ASN CA C 13 53.622 0.400 . 1 . . . . 12 ASN CA . 17066 1 102 . 1 1 13 13 ASN CB C 13 38.670 0.400 . 1 . . . . 12 ASN CB . 17066 1 103 . 1 1 13 13 ASN N N 15 120.163 0.400 . 1 . . . . 12 ASN N . 17066 1 104 . 1 1 13 13 ASN ND2 N 15 112.779 0.400 . 1 . . . . 12 ASN ND2 . 17066 1 105 . 1 1 14 14 THR H H 1 8.289 0.020 . 1 . . . . 13 THR H . 17066 1 106 . 1 1 14 14 THR HA H 1 4.192 0.020 . 1 . . . . 13 THR HA . 17066 1 107 . 1 1 14 14 THR HB H 1 4.274 0.020 . 1 . . . . 13 THR HB . 17066 1 108 . 1 1 14 14 THR HG21 H 1 1.186 0.020 . 1 . . . . 13 THR HG2 . 17066 1 109 . 1 1 14 14 THR HG22 H 1 1.186 0.020 . 1 . . . . 13 THR HG2 . 17066 1 110 . 1 1 14 14 THR HG23 H 1 1.186 0.020 . 1 . . . . 13 THR HG2 . 17066 1 111 . 1 1 14 14 THR C C 13 175.842 0.400 . 1 . . . . 13 THR C . 17066 1 112 . 1 1 14 14 THR CA C 13 63.734 0.400 . 1 . . . . 13 THR CA . 17066 1 113 . 1 1 14 14 THR CB C 13 69.559 0.400 . 1 . . . . 13 THR CB . 17066 1 114 . 1 1 14 14 THR CG2 C 13 21.746 0.400 . 1 . . . . 13 THR CG2 . 17066 1 115 . 1 1 14 14 THR N N 15 114.748 0.400 . 1 . . . . 13 THR N . 17066 1 116 . 1 1 15 15 PHE H H 1 8.355 0.020 . 1 . . . . 14 PHE H . 17066 1 117 . 1 1 15 15 PHE HA H 1 4.300 0.020 . 1 . . . . 14 PHE HA . 17066 1 118 . 1 1 15 15 PHE HB2 H 1 3.181 0.020 . 2 . . . . 14 PHE HB2 . 17066 1 119 . 1 1 15 15 PHE HB3 H 1 2.983 0.020 . 2 . . . . 14 PHE HB3 . 17066 1 120 . 1 1 15 15 PHE HD2 H 1 7.153 0.020 . 1 . . . . 14 PHE HD2 . 17066 1 121 . 1 1 15 15 PHE C C 13 177.560 0.400 . 1 . . . . 14 PHE C . 17066 1 122 . 1 1 15 15 PHE CA C 13 60.594 0.400 . 1 . . . . 14 PHE CA . 17066 1 123 . 1 1 15 15 PHE CB C 13 38.941 0.400 . 1 . . . . 14 PHE CB . 17066 1 124 . 1 1 15 15 PHE N N 15 123.175 0.400 . 1 . . . . 14 PHE N . 17066 1 125 . 1 1 16 16 LEU H H 1 8.095 0.020 . 1 . . . . 15 LEU H . 17066 1 126 . 1 1 16 16 LEU HA H 1 3.742 0.020 . 1 . . . . 15 LEU HA . 17066 1 127 . 1 1 16 16 LEU HB2 H 1 1.410 0.020 . 2 . . . . 15 LEU HB2 . 17066 1 128 . 1 1 16 16 LEU HB3 H 1 1.701 0.020 . 2 . . . . 15 LEU HB3 . 17066 1 129 . 1 1 16 16 LEU HD11 H 1 0.836 0.020 . 2 . . . . 15 LEU HD1 . 17066 1 130 . 1 1 16 16 LEU HD12 H 1 0.836 0.020 . 2 . . . . 15 LEU HD1 . 17066 1 131 . 1 1 16 16 LEU HD13 H 1 0.836 0.020 . 2 . . . . 15 LEU HD1 . 17066 1 132 . 1 1 16 16 LEU HD21 H 1 0.806 0.020 . 2 . . . . 15 LEU HD2 . 17066 1 133 . 1 1 16 16 LEU HD22 H 1 0.806 0.020 . 2 . . . . 15 LEU HD2 . 17066 1 134 . 1 1 16 16 LEU HD23 H 1 0.806 0.020 . 2 . . . . 15 LEU HD2 . 17066 1 135 . 1 1 16 16 LEU HG H 1 1.473 0.020 . 1 . . . . 15 LEU HG . 17066 1 136 . 1 1 16 16 LEU C C 13 177.501 0.400 . 1 . . . . 15 LEU C . 17066 1 137 . 1 1 16 16 LEU CA C 13 58.009 0.400 . 1 . . . . 15 LEU CA . 17066 1 138 . 1 1 16 16 LEU CB C 13 41.567 0.400 . 1 . . . . 15 LEU CB . 17066 1 139 . 1 1 16 16 LEU CD1 C 13 25.730 0.400 . 1 . . . . 15 LEU CD1 . 17066 1 140 . 1 1 16 16 LEU CD2 C 13 24.070 0.400 . 1 . . . . 15 LEU CD2 . 17066 1 141 . 1 1 16 16 LEU CG C 13 26.726 0.400 . 1 . . . . 15 LEU CG . 17066 1 142 . 1 1 16 16 LEU N N 15 119.894 0.400 . 1 . . . . 15 LEU N . 17066 1 143 . 1 1 17 17 ASP H H 1 7.849 0.020 . 1 . . . . 16 ASP H . 17066 1 144 . 1 1 17 17 ASP HA H 1 4.165 0.020 . 1 . . . . 16 ASP HA . 17066 1 145 . 1 1 17 17 ASP HB2 H 1 2.532 0.020 . 2 . . . . 16 ASP HB2 . 17066 1 146 . 1 1 17 17 ASP HB3 H 1 2.675 0.020 . 2 . . . . 16 ASP HB3 . 17066 1 147 . 1 1 17 17 ASP C C 13 178.370 0.400 . 1 . . . . 16 ASP C . 17066 1 148 . 1 1 17 17 ASP CA C 13 57.886 0.400 . 1 . . . . 16 ASP CA . 17066 1 149 . 1 1 17 17 ASP CB C 13 40.929 0.400 . 1 . . . . 16 ASP CB . 17066 1 150 . 1 1 17 17 ASP N N 15 116.831 0.400 . 1 . . . . 16 ASP N . 17066 1 151 . 1 1 18 18 THR H H 1 7.750 0.020 . 1 . . . . 17 THR H . 17066 1 152 . 1 1 18 18 THR HA H 1 3.766 0.020 . 1 . . . . 17 THR HA . 17066 1 153 . 1 1 18 18 THR HB H 1 4.180 0.020 . 1 . . . . 17 THR HB . 17066 1 154 . 1 1 18 18 THR HG21 H 1 1.134 0.020 . 1 . . . . 17 THR HG2 . 17066 1 155 . 1 1 18 18 THR HG22 H 1 1.134 0.020 . 1 . . . . 17 THR HG2 . 17066 1 156 . 1 1 18 18 THR HG23 H 1 1.134 0.020 . 1 . . . . 17 THR HG2 . 17066 1 157 . 1 1 18 18 THR C C 13 176.158 0.400 . 1 . . . . 17 THR C . 17066 1 158 . 1 1 18 18 THR CA C 13 66.135 0.400 . 1 . . . . 17 THR CA . 17066 1 159 . 1 1 18 18 THR CB C 13 68.563 0.400 . 1 . . . . 17 THR CB . 17066 1 160 . 1 1 18 18 THR CG2 C 13 21.599 0.400 . 1 . . . . 17 THR CG2 . 17066 1 161 . 1 1 18 18 THR N N 15 113.987 0.400 . 1 . . . . 17 THR N . 17066 1 162 . 1 1 19 19 ILE H H 1 7.482 0.020 . 1 . . . . 18 ILE H . 17066 1 163 . 1 1 19 19 ILE HA H 1 3.578 0.020 . 1 . . . . 18 ILE HA . 17066 1 164 . 1 1 19 19 ILE HB H 1 1.845 0.020 . 1 . . . . 18 ILE HB . 17066 1 165 . 1 1 19 19 ILE HD11 H 1 0.549 0.020 . 1 . . . . 18 ILE HD1 . 17066 1 166 . 1 1 19 19 ILE HD12 H 1 0.549 0.020 . 1 . . . . 18 ILE HD1 . 17066 1 167 . 1 1 19 19 ILE HD13 H 1 0.549 0.020 . 1 . . . . 18 ILE HD1 . 17066 1 168 . 1 1 19 19 ILE HG12 H 1 0.987 0.020 . 2 . . . . 18 ILE HG12 . 17066 1 169 . 1 1 19 19 ILE HG13 H 1 1.207 0.020 . 2 . . . . 18 ILE HG13 . 17066 1 170 . 1 1 19 19 ILE HG21 H 1 0.693 0.020 . 1 . . . . 18 ILE HG2 . 17066 1 171 . 1 1 19 19 ILE HG22 H 1 0.693 0.020 . 1 . . . . 18 ILE HG2 . 17066 1 172 . 1 1 19 19 ILE HG23 H 1 0.693 0.020 . 1 . . . . 18 ILE HG2 . 17066 1 173 . 1 1 19 19 ILE C C 13 177.481 0.400 . 1 . . . . 18 ILE C . 17066 1 174 . 1 1 19 19 ILE CA C 13 63.632 0.400 . 1 . . . . 18 ILE CA . 17066 1 175 . 1 1 19 19 ILE CB C 13 36.932 0.400 . 1 . . . . 18 ILE CB . 17066 1 176 . 1 1 19 19 ILE CD1 C 13 11.784 0.400 . 1 . . . . 18 ILE CD1 . 17066 1 177 . 1 1 19 19 ILE CG1 C 13 27.722 0.400 . 1 . . . . 18 ILE CG1 . 17066 1 178 . 1 1 19 19 ILE CG2 C 13 18.181 0.400 . 1 . . . . 18 ILE CG2 . 17066 1 179 . 1 1 19 19 ILE N N 15 122.844 0.400 . 1 . . . . 18 ILE N . 17066 1 180 . 1 1 20 20 ILE H H 1 8.199 0.020 . 1 . . . . 19 ILE H . 17066 1 181 . 1 1 20 20 ILE HA H 1 3.364 0.020 . 1 . . . . 19 ILE HA . 17066 1 182 . 1 1 20 20 ILE HB H 1 1.620 0.020 . 1 . . . . 19 ILE HB . 17066 1 183 . 1 1 20 20 ILE HD11 H 1 0.172 0.020 . 1 . . . . 19 ILE HD1 . 17066 1 184 . 1 1 20 20 ILE HD12 H 1 0.172 0.020 . 1 . . . . 19 ILE HD1 . 17066 1 185 . 1 1 20 20 ILE HD13 H 1 0.172 0.020 . 1 . . . . 19 ILE HD1 . 17066 1 186 . 1 1 20 20 ILE HG12 H 1 0.074 0.020 . 2 . . . . 19 ILE HG12 . 17066 1 187 . 1 1 20 20 ILE HG13 H 1 1.365 0.020 . 2 . . . . 19 ILE HG13 . 17066 1 188 . 1 1 20 20 ILE HG21 H 1 0.765 0.020 . 1 . . . . 19 ILE HG2 . 17066 1 189 . 1 1 20 20 ILE HG22 H 1 0.765 0.020 . 1 . . . . 19 ILE HG2 . 17066 1 190 . 1 1 20 20 ILE HG23 H 1 0.765 0.020 . 1 . . . . 19 ILE HG2 . 17066 1 191 . 1 1 20 20 ILE C C 13 178.062 0.400 . 1 . . . . 19 ILE C . 17066 1 192 . 1 1 20 20 ILE CA C 13 66.575 0.400 . 1 . . . . 19 ILE CA . 17066 1 193 . 1 1 20 20 ILE CB C 13 38.352 0.400 . 1 . . . . 19 ILE CB . 17066 1 194 . 1 1 20 20 ILE CD1 C 13 14.109 0.400 . 1 . . . . 19 ILE CD1 . 17066 1 195 . 1 1 20 20 ILE CG1 C 13 30.379 0.400 . 1 . . . . 19 ILE CG1 . 17066 1 196 . 1 1 20 20 ILE CG2 C 13 17.761 0.400 . 1 . . . . 19 ILE CG2 . 17066 1 197 . 1 1 20 20 ILE N N 15 120.134 0.400 . 1 . . . . 19 ILE N . 17066 1 198 . 1 1 21 21 ARG H H 1 7.769 0.020 . 1 . . . . 20 ARG H . 17066 1 199 . 1 1 21 21 ARG HA H 1 3.979 0.020 . 1 . . . . 20 ARG HA . 17066 1 200 . 1 1 21 21 ARG HB2 H 1 1.794 0.020 . 2 . . . . 20 ARG HB2 . 17066 1 201 . 1 1 21 21 ARG HB3 H 1 1.794 0.020 . 2 . . . . 20 ARG HB3 . 17066 1 202 . 1 1 21 21 ARG HD2 H 1 3.100 0.020 . 2 . . . . 20 ARG HD2 . 17066 1 203 . 1 1 21 21 ARG HD3 H 1 3.158 0.020 . 2 . . . . 20 ARG HD3 . 17066 1 204 . 1 1 21 21 ARG HG2 H 1 1.618 0.020 . 2 . . . . 20 ARG HG2 . 17066 1 205 . 1 1 21 21 ARG HG3 H 1 1.735 0.020 . 2 . . . . 20 ARG HG3 . 17066 1 206 . 1 1 21 21 ARG C C 13 179.022 0.400 . 1 . . . . 20 ARG C . 17066 1 207 . 1 1 21 21 ARG CA C 13 59.045 0.400 . 1 . . . . 20 ARG CA . 17066 1 208 . 1 1 21 21 ARG CB C 13 30.121 0.400 . 1 . . . . 20 ARG CB . 17066 1 209 . 1 1 21 21 ARG CD C 13 43.328 0.400 . 1 . . . . 20 ARG CD . 17066 1 210 . 1 1 21 21 ARG CG C 13 27.722 0.400 . 1 . . . . 20 ARG CG . 17066 1 211 . 1 1 21 21 ARG N N 15 115.869 0.400 . 1 . . . . 20 ARG N . 17066 1 212 . 1 1 21 21 ARG NE N 15 113.217 0.400 . 1 . . . . 20 ARG NE . 17066 1 213 . 1 1 22 22 LYS H H 1 7.601 0.020 . 1 . . . . 21 LYS H . 17066 1 214 . 1 1 22 22 LYS HA H 1 3.910 0.020 . 1 . . . . 21 LYS HA . 17066 1 215 . 1 1 22 22 LYS HB2 H 1 1.650 0.020 . 2 . . . . 21 LYS HB2 . 17066 1 216 . 1 1 22 22 LYS HB3 H 1 1.716 0.020 . 2 . . . . 21 LYS HB3 . 17066 1 217 . 1 1 22 22 LYS HD2 H 1 1.386 0.020 . 2 . . . . 21 LYS HD2 . 17066 1 218 . 1 1 22 22 LYS HD3 H 1 1.439 0.020 . 2 . . . . 21 LYS HD3 . 17066 1 219 . 1 1 22 22 LYS HE2 H 1 2.686 0.020 . 2 . . . . 21 LYS HE2 . 17066 1 220 . 1 1 22 22 LYS HE3 H 1 2.686 0.020 . 2 . . . . 21 LYS HE3 . 17066 1 221 . 1 1 22 22 LYS HG2 H 1 0.837 0.020 . 2 . . . . 21 LYS HG2 . 17066 1 222 . 1 1 22 22 LYS HG3 H 1 1.206 0.020 . 2 . . . . 21 LYS HG3 . 17066 1 223 . 1 1 22 22 LYS C C 13 177.936 0.400 . 1 . . . . 21 LYS C . 17066 1 224 . 1 1 22 22 LYS CA C 13 58.643 0.400 . 1 . . . . 21 LYS CA . 17066 1 225 . 1 1 22 22 LYS CB C 13 32.384 0.400 . 1 . . . . 21 LYS CB . 17066 1 226 . 1 1 22 22 LYS CD C 13 29.051 0.400 . 1 . . . . 21 LYS CD . 17066 1 227 . 1 1 22 22 LYS CE C 13 41.668 0.400 . 1 . . . . 21 LYS CE . 17066 1 228 . 1 1 22 22 LYS CG C 13 24.661 0.400 . 1 . . . . 21 LYS CG . 17066 1 229 . 1 1 22 22 LYS N N 15 118.580 0.400 . 1 . . . . 21 LYS N . 17066 1 230 . 1 1 23 23 PHE H H 1 7.703 0.020 . 1 . . . . 22 PHE H . 17066 1 231 . 1 1 23 23 PHE HA H 1 4.096 0.020 . 1 . . . . 22 PHE HA . 17066 1 232 . 1 1 23 23 PHE HB2 H 1 2.165 0.020 . 2 . . . . 22 PHE HB2 . 17066 1 233 . 1 1 23 23 PHE HB3 H 1 2.165 0.020 . 2 . . . . 22 PHE HB3 . 17066 1 234 . 1 1 23 23 PHE HD2 H 1 6.787 0.020 . 1 . . . . 22 PHE HD2 . 17066 1 235 . 1 1 23 23 PHE C C 13 176.750 0.400 . 1 . . . . 22 PHE C . 17066 1 236 . 1 1 23 23 PHE CA C 13 59.598 0.400 . 1 . . . . 22 PHE CA . 17066 1 237 . 1 1 23 23 PHE CB C 13 38.836 0.400 . 1 . . . . 22 PHE CB . 17066 1 238 . 1 1 23 23 PHE N N 15 116.849 0.400 . 1 . . . . 22 PHE N . 17066 1 239 . 1 1 24 24 GLU H H 1 8.253 0.020 . 1 . . . . 23 GLU H . 17066 1 240 . 1 1 24 24 GLU HA H 1 4.542 0.020 . 1 . . . . 23 GLU HA . 17066 1 241 . 1 1 24 24 GLU HB2 H 1 2.150 0.020 . 2 . . . . 23 GLU HB2 . 17066 1 242 . 1 1 24 24 GLU HB3 H 1 2.289 0.020 . 2 . . . . 23 GLU HB3 . 17066 1 243 . 1 1 24 24 GLU HG2 H 1 2.423 0.020 . 2 . . . . 23 GLU HG2 . 17066 1 244 . 1 1 24 24 GLU HG3 H 1 2.595 0.020 . 2 . . . . 23 GLU HG3 . 17066 1 245 . 1 1 24 24 GLU C C 13 178.370 0.400 . 1 . . . . 23 GLU C . 17066 1 246 . 1 1 24 24 GLU CA C 13 58.270 0.400 . 1 . . . . 23 GLU CA . 17066 1 247 . 1 1 24 24 GLU CB C 13 30.047 0.400 . 1 . . . . 23 GLU CB . 17066 1 248 . 1 1 24 24 GLU CG C 13 36.023 0.400 . 1 . . . . 23 GLU CG . 17066 1 249 . 1 1 24 24 GLU N N 15 120.875 0.400 . 1 . . . . 23 GLU N . 17066 1 250 . 1 1 25 25 GLY H H 1 8.429 0.020 . 1 . . . . 24 GLY H . 17066 1 251 . 1 1 25 25 GLY HA2 H 1 4.119 0.020 . 2 . . . . 24 GLY HA2 . 17066 1 252 . 1 1 25 25 GLY HA3 H 1 3.976 0.020 . 2 . . . . 24 GLY HA3 . 17066 1 253 . 1 1 25 25 GLY C C 13 174.439 0.400 . 1 . . . . 24 GLY C . 17066 1 254 . 1 1 25 25 GLY CA C 13 45.609 0.400 . 1 . . . . 24 GLY CA . 17066 1 255 . 1 1 25 25 GLY N N 15 109.497 0.400 . 1 . . . . 24 GLY N . 17066 1 256 . 1 1 26 26 GLN H H 1 7.988 0.020 . 1 . . . . 25 GLN H . 17066 1 257 . 1 1 26 26 GLN HA H 1 4.337 0.020 . 1 . . . . 25 GLN HA . 17066 1 258 . 1 1 26 26 GLN HB2 H 1 1.912 0.020 . 2 . . . . 25 GLN HB2 . 17066 1 259 . 1 1 26 26 GLN HB3 H 1 2.251 0.020 . 2 . . . . 25 GLN HB3 . 17066 1 260 . 1 1 26 26 GLN HE21 H 1 6.708 0.020 . 2 . . . . 25 GLN HE21 . 17066 1 261 . 1 1 26 26 GLN HE22 H 1 7.341 0.020 . 2 . . . . 25 GLN HE22 . 17066 1 262 . 1 1 26 26 GLN HG2 H 1 2.306 0.020 . 2 . . . . 25 GLN HG2 . 17066 1 263 . 1 1 26 26 GLN HG3 H 1 2.349 0.020 . 2 . . . . 25 GLN HG3 . 17066 1 264 . 1 1 26 26 GLN C C 13 175.782 0.400 . 1 . . . . 25 GLN C . 17066 1 265 . 1 1 26 26 GLN CA C 13 56.256 0.400 . 1 . . . . 25 GLN CA . 17066 1 266 . 1 1 26 26 GLN CB C 13 29.156 0.400 . 1 . . . . 25 GLN CB . 17066 1 267 . 1 1 26 26 GLN CG C 13 33.803 0.400 . 1 . . . . 25 GLN CG . 17066 1 268 . 1 1 26 26 GLN N N 15 118.030 0.400 . 1 . . . . 25 GLN N . 17066 1 269 . 1 1 26 26 GLN NE2 N 15 111.466 0.400 . 1 . . . . 25 GLN NE2 . 17066 1 270 . 1 1 27 27 SER H H 1 8.662 0.020 . 1 . . . . 26 SER H . 17066 1 271 . 1 1 27 27 SER HA H 1 4.369 0.020 . 1 . . . . 26 SER HA . 17066 1 272 . 1 1 27 27 SER HB2 H 1 4.022 0.020 . 2 . . . . 26 SER HB2 . 17066 1 273 . 1 1 27 27 SER HB3 H 1 4.062 0.020 . 2 . . . . 26 SER HB3 . 17066 1 274 . 1 1 27 27 SER C C 13 174.557 0.400 . 1 . . . . 26 SER C . 17066 1 275 . 1 1 27 27 SER CA C 13 58.602 0.400 . 1 . . . . 26 SER CA . 17066 1 276 . 1 1 27 27 SER CB C 13 61.923 0.400 . 1 . . . . 26 SER CB . 17066 1 277 . 1 1 27 27 SER N N 15 113.873 0.400 . 1 . . . . 26 SER N . 17066 1 278 . 1 1 28 28 ARG H H 1 7.891 0.020 . 1 . . . . 27 ARG H . 17066 1 279 . 1 1 28 28 ARG HA H 1 4.571 0.020 . 1 . . . . 27 ARG HA . 17066 1 280 . 1 1 28 28 ARG HB2 H 1 2.024 0.020 . 2 . . . . 27 ARG HB2 . 17066 1 281 . 1 1 28 28 ARG HB3 H 1 2.130 0.020 . 2 . . . . 27 ARG HB3 . 17066 1 282 . 1 1 28 28 ARG HD2 H 1 2.949 0.020 . 2 . . . . 27 ARG HD2 . 17066 1 283 . 1 1 28 28 ARG HD3 H 1 3.018 0.020 . 2 . . . . 27 ARG HD3 . 17066 1 284 . 1 1 28 28 ARG HG2 H 1 1.640 0.020 . 2 . . . . 27 ARG HG2 . 17066 1 285 . 1 1 28 28 ARG HG3 H 1 1.703 0.020 . 2 . . . . 27 ARG HG3 . 17066 1 286 . 1 1 28 28 ARG C C 13 177.106 0.400 . 1 . . . . 27 ARG C . 17066 1 287 . 1 1 28 28 ARG CA C 13 55.614 0.400 . 1 . . . . 27 ARG CA . 17066 1 288 . 1 1 28 28 ARG CB C 13 31.781 0.400 . 1 . . . . 27 ARG CB . 17066 1 289 . 1 1 28 28 ARG CD C 13 42.664 0.400 . 1 . . . . 27 ARG CD . 17066 1 290 . 1 1 28 28 ARG CG C 13 27.795 0.400 . 1 . . . . 27 ARG CG . 17066 1 291 . 1 1 28 28 ARG N N 15 118.797 0.400 . 1 . . . . 27 ARG N . 17066 1 292 . 1 1 28 28 ARG NE N 15 112.560 0.400 . 1 . . . . 27 ARG NE . 17066 1 293 . 1 1 29 29 LYS H H 1 9.440 0.020 . 1 . . . . 28 LYS H . 17066 1 294 . 1 1 29 29 LYS HA H 1 5.123 0.020 . 1 . . . . 28 LYS HA . 17066 1 295 . 1 1 29 29 LYS HB2 H 1 2.761 0.020 . 2 . . . . 28 LYS HB2 . 17066 1 296 . 1 1 29 29 LYS HB3 H 1 1.505 0.020 . 2 . . . . 28 LYS HB3 . 17066 1 297 . 1 1 29 29 LYS HD2 H 1 1.793 0.020 . 2 . . . . 28 LYS HD2 . 17066 1 298 . 1 1 29 29 LYS HD3 H 1 1.885 0.020 . 2 . . . . 28 LYS HD3 . 17066 1 299 . 1 1 29 29 LYS HE2 H 1 2.966 0.020 . 2 . . . . 28 LYS HE2 . 17066 1 300 . 1 1 29 29 LYS HE3 H 1 3.154 0.020 . 2 . . . . 28 LYS HE3 . 17066 1 301 . 1 1 29 29 LYS HG2 H 1 1.311 0.020 . 2 . . . . 28 LYS HG2 . 17066 1 302 . 1 1 29 29 LYS HG3 H 1 1.412 0.020 . 2 . . . . 28 LYS HG3 . 17066 1 303 . 1 1 29 29 LYS C C 13 173.550 0.400 . 1 . . . . 28 LYS C . 17066 1 304 . 1 1 29 29 LYS CA C 13 56.278 0.400 . 1 . . . . 28 LYS CA . 17066 1 305 . 1 1 29 29 LYS CB C 13 32.703 0.400 . 1 . . . . 28 LYS CB . 17066 1 306 . 1 1 29 29 LYS CD C 13 30.379 0.400 . 1 . . . . 28 LYS CD . 17066 1 307 . 1 1 29 29 LYS CE C 13 42.332 0.400 . 1 . . . . 28 LYS CE . 17066 1 308 . 1 1 29 29 LYS CG C 13 25.398 0.400 . 1 . . . . 28 LYS CG . 17066 1 309 . 1 1 29 29 LYS N N 15 124.594 0.400 . 1 . . . . 28 LYS N . 17066 1 310 . 1 1 30 30 PHE H H 1 8.431 0.020 . 1 . . . . 29 PHE H . 17066 1 311 . 1 1 30 30 PHE HA H 1 6.234 0.020 . 1 . . . . 29 PHE HA . 17066 1 312 . 1 1 30 30 PHE HB2 H 1 3.301 0.020 . 2 . . . . 29 PHE HB2 . 17066 1 313 . 1 1 30 30 PHE HB3 H 1 3.022 0.020 . 2 . . . . 29 PHE HB3 . 17066 1 314 . 1 1 30 30 PHE HD2 H 1 6.870 0.020 . 1 . . . . 29 PHE HD2 . 17066 1 315 . 1 1 30 30 PHE C C 13 171.693 0.400 . 1 . . . . 29 PHE C . 17066 1 316 . 1 1 30 30 PHE CA C 13 56.278 0.400 . 1 . . . . 29 PHE CA . 17066 1 317 . 1 1 30 30 PHE CB C 13 42.664 0.400 . 1 . . . . 29 PHE CB . 17066 1 318 . 1 1 30 30 PHE N N 15 119.999 0.400 . 1 . . . . 29 PHE N . 17066 1 319 . 1 1 31 31 ILE H H 1 8.618 0.020 . 1 . . . . 30 ILE H . 17066 1 320 . 1 1 31 31 ILE HA H 1 4.867 0.020 . 1 . . . . 30 ILE HA . 17066 1 321 . 1 1 31 31 ILE HB H 1 1.863 0.020 . 1 . . . . 30 ILE HB . 17066 1 322 . 1 1 31 31 ILE HD11 H 1 0.632 0.020 . 1 . . . . 30 ILE HD1 . 17066 1 323 . 1 1 31 31 ILE HD12 H 1 0.632 0.020 . 1 . . . . 30 ILE HD1 . 17066 1 324 . 1 1 31 31 ILE HD13 H 1 0.632 0.020 . 1 . . . . 30 ILE HD1 . 17066 1 325 . 1 1 31 31 ILE HG12 H 1 1.159 0.020 . 2 . . . . 30 ILE HG12 . 17066 1 326 . 1 1 31 31 ILE HG13 H 1 1.225 0.020 . 2 . . . . 30 ILE HG13 . 17066 1 327 . 1 1 31 31 ILE HG21 H 1 -0.031 0.020 . 1 . . . . 30 ILE HG2 . 17066 1 328 . 1 1 31 31 ILE HG22 H 1 -0.031 0.020 . 1 . . . . 30 ILE HG2 . 17066 1 329 . 1 1 31 31 ILE HG23 H 1 -0.031 0.020 . 1 . . . . 30 ILE HG2 . 17066 1 330 . 1 1 31 31 ILE C C 13 174.182 0.400 . 1 . . . . 30 ILE C . 17066 1 331 . 1 1 31 31 ILE CA C 13 58.493 0.400 . 1 . . . . 30 ILE CA . 17066 1 332 . 1 1 31 31 ILE CB C 13 41.336 0.400 . 1 . . . . 30 ILE CB . 17066 1 333 . 1 1 31 31 ILE CD1 C 13 13.777 0.400 . 1 . . . . 30 ILE CD1 . 17066 1 334 . 1 1 31 31 ILE CG1 C 13 26.726 0.400 . 1 . . . . 30 ILE CG1 . 17066 1 335 . 1 1 31 31 ILE CG2 C 13 17.097 0.400 . 1 . . . . 30 ILE CG2 . 17066 1 336 . 1 1 31 31 ILE N N 15 111.199 0.400 . 1 . . . . 30 ILE N . 17066 1 337 . 1 1 32 32 ILE H H 1 8.935 0.020 . 1 . . . . 31 ILE H . 17066 1 338 . 1 1 32 32 ILE HA H 1 5.181 0.020 . 1 . . . . 31 ILE HA . 17066 1 339 . 1 1 32 32 ILE HB H 1 1.678 0.020 . 1 . . . . 31 ILE HB . 17066 1 340 . 1 1 32 32 ILE HD11 H 1 0.784 0.020 . 1 . . . . 31 ILE HD1 . 17066 1 341 . 1 1 32 32 ILE HD12 H 1 0.784 0.020 . 1 . . . . 31 ILE HD1 . 17066 1 342 . 1 1 32 32 ILE HD13 H 1 0.784 0.020 . 1 . . . . 31 ILE HD1 . 17066 1 343 . 1 1 32 32 ILE HG12 H 1 1.171 0.020 . 2 . . . . 31 ILE HG12 . 17066 1 344 . 1 1 32 32 ILE HG13 H 1 1.838 0.020 . 2 . . . . 31 ILE HG13 . 17066 1 345 . 1 1 32 32 ILE HG21 H 1 0.903 0.020 . 1 . . . . 31 ILE HG2 . 17066 1 346 . 1 1 32 32 ILE HG22 H 1 0.903 0.020 . 1 . . . . 31 ILE HG2 . 17066 1 347 . 1 1 32 32 ILE HG23 H 1 0.903 0.020 . 1 . . . . 31 ILE HG2 . 17066 1 348 . 1 1 32 32 ILE C C 13 174.222 0.400 . 1 . . . . 31 ILE C . 17066 1 349 . 1 1 32 32 ILE CA C 13 60.065 0.400 . 1 . . . . 31 ILE CA . 17066 1 350 . 1 1 32 32 ILE CB C 13 40.340 0.400 . 1 . . . . 31 ILE CB . 17066 1 351 . 1 1 32 32 ILE CD1 C 13 14.773 0.400 . 1 . . . . 31 ILE CD1 . 17066 1 352 . 1 1 32 32 ILE CG1 C 13 27.722 0.400 . 1 . . . . 31 ILE CG1 . 17066 1 353 . 1 1 32 32 ILE CG2 C 13 18.319 0.400 . 1 . . . . 31 ILE CG2 . 17066 1 354 . 1 1 32 32 ILE N N 15 119.562 0.400 . 1 . . . . 31 ILE N . 17066 1 355 . 1 1 33 33 ALA H H 1 9.723 0.020 . 1 . . . . 32 ALA H . 17066 1 356 . 1 1 33 33 ALA HA H 1 5.309 0.020 . 1 . . . . 32 ALA HA . 17066 1 357 . 1 1 33 33 ALA HB1 H 1 1.310 0.020 . 1 . . . . 32 ALA HB . 17066 1 358 . 1 1 33 33 ALA HB2 H 1 1.310 0.020 . 1 . . . . 32 ALA HB . 17066 1 359 . 1 1 33 33 ALA HB3 H 1 1.310 0.020 . 1 . . . . 32 ALA HB . 17066 1 360 . 1 1 33 33 ALA C C 13 176.494 0.400 . 1 . . . . 32 ALA C . 17066 1 361 . 1 1 33 33 ALA CA C 13 49.693 0.400 . 1 . . . . 32 ALA CA . 17066 1 362 . 1 1 33 33 ALA CB C 13 25.042 0.400 . 1 . . . . 32 ALA CB . 17066 1 363 . 1 1 33 33 ALA N N 15 130.417 0.400 . 1 . . . . 32 ALA N . 17066 1 364 . 1 1 34 34 ASN H H 1 8.672 0.020 . 1 . . . . 33 ASN H . 17066 1 365 . 1 1 34 34 ASN HA H 1 4.698 0.020 . 1 . . . . 33 ASN HA . 17066 1 366 . 1 1 34 34 ASN HB2 H 1 2.819 0.020 . 2 . . . . 33 ASN HB2 . 17066 1 367 . 1 1 34 34 ASN HB3 H 1 3.101 0.020 . 2 . . . . 33 ASN HB3 . 17066 1 368 . 1 1 34 34 ASN HD21 H 1 7.238 0.020 . 2 . . . . 33 ASN HD21 . 17066 1 369 . 1 1 34 34 ASN HD22 H 1 7.767 0.020 . 2 . . . . 33 ASN HD22 . 17066 1 370 . 1 1 34 34 ASN C C 13 173.925 0.400 . 1 . . . . 33 ASN C . 17066 1 371 . 1 1 34 34 ASN CA C 13 52.625 0.400 . 1 . . . . 33 ASN CA . 17066 1 372 . 1 1 34 34 ASN CB C 13 38.680 0.400 . 1 . . . . 33 ASN CB . 17066 1 373 . 1 1 34 34 ASN N N 15 118.905 0.400 . 1 . . . . 33 ASN N . 17066 1 374 . 1 1 34 34 ASN ND2 N 15 112.123 0.400 . 1 . . . . 33 ASN ND2 . 17066 1 375 . 1 1 35 35 ALA H H 1 7.631 0.020 . 1 . . . . 34 ALA H . 17066 1 376 . 1 1 35 35 ALA HA H 1 4.705 0.020 . 1 . . . . 34 ALA HA . 17066 1 377 . 1 1 35 35 ALA HB1 H 1 1.045 0.020 . 1 . . . . 34 ALA HB . 17066 1 378 . 1 1 35 35 ALA HB2 H 1 1.045 0.020 . 1 . . . . 34 ALA HB . 17066 1 379 . 1 1 35 35 ALA HB3 H 1 1.045 0.020 . 1 . . . . 34 ALA HB . 17066 1 380 . 1 1 35 35 ALA C C 13 177.541 0.400 . 1 . . . . 34 ALA C . 17066 1 381 . 1 1 35 35 ALA CA C 13 52.293 0.400 . 1 . . . . 34 ALA CA . 17066 1 382 . 1 1 35 35 ALA CB C 13 20.418 0.400 . 1 . . . . 34 ALA CB . 17066 1 383 . 1 1 35 35 ALA N N 15 123.719 0.400 . 1 . . . . 34 ALA N . 17066 1 384 . 1 1 36 36 ARG H H 1 8.223 0.020 . 1 . . . . 35 ARG H . 17066 1 385 . 1 1 36 36 ARG HA H 1 4.361 0.020 . 1 . . . . 35 ARG HA . 17066 1 386 . 1 1 36 36 ARG HB2 H 1 1.908 0.020 . 2 . . . . 35 ARG HB2 . 17066 1 387 . 1 1 36 36 ARG HB3 H 1 2.083 0.020 . 2 . . . . 35 ARG HB3 . 17066 1 388 . 1 1 36 36 ARG HD2 H 1 3.216 0.020 . 2 . . . . 35 ARG HD2 . 17066 1 389 . 1 1 36 36 ARG HD3 H 1 3.216 0.020 . 2 . . . . 35 ARG HD3 . 17066 1 390 . 1 1 36 36 ARG HG2 H 1 1.655 0.020 . 2 . . . . 35 ARG HG2 . 17066 1 391 . 1 1 36 36 ARG HG3 H 1 1.779 0.020 . 2 . . . . 35 ARG HG3 . 17066 1 392 . 1 1 36 36 ARG C C 13 176.200 0.400 . 1 . . . . 35 ARG C . 17066 1 393 . 1 1 36 36 ARG CA C 13 56.278 0.400 . 1 . . . . 35 ARG CA . 17066 1 394 . 1 1 36 36 ARG CB C 13 29.715 0.400 . 1 . . . . 35 ARG CB . 17066 1 395 . 1 1 36 36 ARG CD C 13 43.328 0.400 . 1 . . . . 35 ARG CD . 17066 1 396 . 1 1 36 36 ARG CG C 13 27.390 0.400 . 1 . . . . 35 ARG CG . 17066 1 397 . 1 1 36 36 ARG N N 15 116.061 0.400 . 1 . . . . 35 ARG N . 17066 1 398 . 1 1 36 36 ARG NE N 15 112.779 0.400 . 1 . . . . 35 ARG NE . 17066 1 399 . 1 1 37 37 VAL H H 1 7.287 0.020 . 1 . . . . 36 VAL H . 17066 1 400 . 1 1 37 37 VAL HA H 1 4.432 0.020 . 1 . . . . 36 VAL HA . 17066 1 401 . 1 1 37 37 VAL HB H 1 2.182 0.020 . 1 . . . . 36 VAL HB . 17066 1 402 . 1 1 37 37 VAL HG11 H 1 0.942 0.020 . 2 . . . . 36 VAL HG1 . 17066 1 403 . 1 1 37 37 VAL HG12 H 1 0.942 0.020 . 2 . . . . 36 VAL HG1 . 17066 1 404 . 1 1 37 37 VAL HG13 H 1 0.942 0.020 . 2 . . . . 36 VAL HG1 . 17066 1 405 . 1 1 37 37 VAL HG21 H 1 0.995 0.020 . 2 . . . . 36 VAL HG2 . 17066 1 406 . 1 1 37 37 VAL HG22 H 1 0.995 0.020 . 2 . . . . 36 VAL HG2 . 17066 1 407 . 1 1 37 37 VAL HG23 H 1 0.995 0.020 . 2 . . . . 36 VAL HG2 . 17066 1 408 . 1 1 37 37 VAL C C 13 176.810 0.400 . 1 . . . . 36 VAL C . 17066 1 409 . 1 1 37 37 VAL CA C 13 60.594 0.400 . 1 . . . . 36 VAL CA . 17066 1 410 . 1 1 37 37 VAL CB C 13 33.699 0.400 . 1 . . . . 36 VAL CB . 17066 1 411 . 1 1 37 37 VAL CG1 C 13 21.348 0.400 . 1 . . . . 36 VAL CG1 . 17066 1 412 . 1 1 37 37 VAL CG2 C 13 19.753 0.400 . 1 . . . . 36 VAL CG2 . 17066 1 413 . 1 1 37 37 VAL N N 15 113.873 0.400 . 1 . . . . 36 VAL N . 17066 1 414 . 1 1 38 38 GLU H H 1 8.744 0.020 . 1 . . . . 37 GLU H . 17066 1 415 . 1 1 38 38 GLU HA H 1 4.003 0.020 . 1 . . . . 37 GLU HA . 17066 1 416 . 1 1 38 38 GLU HB2 H 1 1.985 0.020 . 2 . . . . 37 GLU HB2 . 17066 1 417 . 1 1 38 38 GLU HB3 H 1 1.985 0.020 . 2 . . . . 37 GLU HB3 . 17066 1 418 . 1 1 38 38 GLU HG2 H 1 2.235 0.020 . 2 . . . . 37 GLU HG2 . 17066 1 419 . 1 1 38 38 GLU HG3 H 1 2.235 0.020 . 2 . . . . 37 GLU HG3 . 17066 1 420 . 1 1 38 38 GLU C C 13 176.494 0.400 . 1 . . . . 37 GLU C . 17066 1 421 . 1 1 38 38 GLU CA C 13 58.657 0.400 . 1 . . . . 37 GLU CA . 17066 1 422 . 1 1 38 38 GLU CB C 13 29.383 0.400 . 1 . . . . 37 GLU CB . 17066 1 423 . 1 1 38 38 GLU CG C 13 36.023 0.400 . 1 . . . . 37 GLU CG . 17066 1 424 . 1 1 38 38 GLU N N 15 122.844 0.400 . 1 . . . . 37 GLU N . 17066 1 425 . 1 1 39 39 ASN H H 1 8.175 0.020 . 1 . . . . 38 ASN H . 17066 1 426 . 1 1 39 39 ASN HA H 1 4.541 0.020 . 1 . . . . 38 ASN HA . 17066 1 427 . 1 1 39 39 ASN HB2 H 1 2.772 0.020 . 2 . . . . 38 ASN HB2 . 17066 1 428 . 1 1 39 39 ASN HB3 H 1 3.006 0.020 . 2 . . . . 38 ASN HB3 . 17066 1 429 . 1 1 39 39 ASN HD21 H 1 6.875 0.020 . 2 . . . . 38 ASN HD21 . 17066 1 430 . 1 1 39 39 ASN HD22 H 1 7.519 0.020 . 2 . . . . 38 ASN HD22 . 17066 1 431 . 1 1 39 39 ASN C C 13 174.439 0.400 . 1 . . . . 38 ASN C . 17066 1 432 . 1 1 39 39 ASN CA C 13 52.957 0.400 . 1 . . . . 38 ASN CA . 17066 1 433 . 1 1 39 39 ASN CB C 13 37.684 0.400 . 1 . . . . 38 ASN CB . 17066 1 434 . 1 1 39 39 ASN N N 15 114.748 0.400 . 1 . . . . 38 ASN N . 17066 1 435 . 1 1 39 39 ASN ND2 N 15 111.029 0.400 . 1 . . . . 38 ASN ND2 . 17066 1 436 . 1 1 40 40 CYS H H 1 8.301 0.020 . 1 . . . . 39 CYS H . 17066 1 437 . 1 1 40 40 CYS HA H 1 4.549 0.020 . 1 . . . . 39 CYS HA . 17066 1 438 . 1 1 40 40 CYS HB2 H 1 2.925 0.020 . 2 . . . . 39 CYS HB2 . 17066 1 439 . 1 1 40 40 CYS HB3 H 1 3.007 0.020 . 2 . . . . 39 CYS HB3 . 17066 1 440 . 1 1 40 40 CYS C C 13 174.384 0.400 . 1 . . . . 39 CYS C . 17066 1 441 . 1 1 40 40 CYS CA C 13 59.266 0.400 . 1 . . . . 39 CYS CA . 17066 1 442 . 1 1 40 40 CYS CB C 13 26.726 0.400 . 1 . . . . 39 CYS CB . 17066 1 443 . 1 1 40 40 CYS N N 15 117.374 0.400 . 1 . . . . 39 CYS N . 17066 1 444 . 1 1 41 41 ALA HA H 1 4.037 0.020 . 1 . . . . 40 ALA HA . 17066 1 445 . 1 1 41 41 ALA HB1 H 1 1.158 0.020 . 1 . . . . 40 ALA HB . 17066 1 446 . 1 1 41 41 ALA HB2 H 1 1.158 0.020 . 1 . . . . 40 ALA HB . 17066 1 447 . 1 1 41 41 ALA HB3 H 1 1.158 0.020 . 1 . . . . 40 ALA HB . 17066 1 448 . 1 1 41 41 ALA C C 13 177.699 0.400 . 1 . . . . 40 ALA C . 17066 1 449 . 1 1 41 41 ALA CA C 13 51.961 0.400 . 1 . . . . 40 ALA CA . 17066 1 450 . 1 1 41 41 ALA CB C 13 20.536 0.400 . 1 . . . . 40 ALA CB . 17066 1 451 . 1 1 42 42 VAL H H 1 8.613 0.020 . 1 . . . . 41 VAL H . 17066 1 452 . 1 1 42 42 VAL HA H 1 3.882 0.020 . 1 . . . . 41 VAL HA . 17066 1 453 . 1 1 42 42 VAL HB H 1 2.197 0.020 . 1 . . . . 41 VAL HB . 17066 1 454 . 1 1 42 42 VAL HG11 H 1 0.946 0.020 . 2 . . . . 41 VAL HG1 . 17066 1 455 . 1 1 42 42 VAL HG12 H 1 0.946 0.020 . 2 . . . . 41 VAL HG1 . 17066 1 456 . 1 1 42 42 VAL HG13 H 1 0.946 0.020 . 2 . . . . 41 VAL HG1 . 17066 1 457 . 1 1 42 42 VAL HG21 H 1 0.856 0.020 . 2 . . . . 41 VAL HG2 . 17066 1 458 . 1 1 42 42 VAL HG22 H 1 0.856 0.020 . 2 . . . . 41 VAL HG2 . 17066 1 459 . 1 1 42 42 VAL HG23 H 1 0.856 0.020 . 2 . . . . 41 VAL HG2 . 17066 1 460 . 1 1 42 42 VAL C C 13 177.165 0.400 . 1 . . . . 41 VAL C . 17066 1 461 . 1 1 42 42 VAL CA C 13 65.097 0.400 . 1 . . . . 41 VAL CA . 17066 1 462 . 1 1 42 42 VAL CB C 13 32.371 0.400 . 1 . . . . 41 VAL CB . 17066 1 463 . 1 1 42 42 VAL CG1 C 13 23.074 0.400 . 1 . . . . 41 VAL CG1 . 17066 1 464 . 1 1 42 42 VAL CG2 C 13 22.410 0.400 . 1 . . . . 41 VAL CG2 . 17066 1 465 . 1 1 42 42 VAL N N 15 119.999 0.400 . 1 . . . . 41 VAL N . 17066 1 466 . 1 1 43 43 ILE H H 1 9.226 0.020 . 1 . . . . 42 ILE H . 17066 1 467 . 1 1 43 43 ILE HA H 1 4.615 0.020 . 1 . . . . 42 ILE HA . 17066 1 468 . 1 1 43 43 ILE HB H 1 2.135 0.020 . 1 . . . . 42 ILE HB . 17066 1 469 . 1 1 43 43 ILE HD11 H 1 0.889 0.020 . 1 . . . . 42 ILE HD1 . 17066 1 470 . 1 1 43 43 ILE HD12 H 1 0.889 0.020 . 1 . . . . 42 ILE HD1 . 17066 1 471 . 1 1 43 43 ILE HD13 H 1 0.889 0.020 . 1 . . . . 42 ILE HD1 . 17066 1 472 . 1 1 43 43 ILE HG12 H 1 0.940 0.020 . 2 . . . . 42 ILE HG12 . 17066 1 473 . 1 1 43 43 ILE HG13 H 1 1.193 0.020 . 2 . . . . 42 ILE HG13 . 17066 1 474 . 1 1 43 43 ILE HG21 H 1 1.018 0.020 . 1 . . . . 42 ILE HG2 . 17066 1 475 . 1 1 43 43 ILE HG22 H 1 1.018 0.020 . 1 . . . . 42 ILE HG2 . 17066 1 476 . 1 1 43 43 ILE HG23 H 1 1.018 0.020 . 1 . . . . 42 ILE HG2 . 17066 1 477 . 1 1 43 43 ILE C C 13 175.328 0.400 . 1 . . . . 42 ILE C . 17066 1 478 . 1 1 43 43 ILE CA C 13 61.209 0.400 . 1 . . . . 42 ILE CA . 17066 1 479 . 1 1 43 43 ILE CB C 13 39.706 0.400 . 1 . . . . 42 ILE CB . 17066 1 480 . 1 1 43 43 ILE CD1 C 13 14.441 0.400 . 1 . . . . 42 ILE CD1 . 17066 1 481 . 1 1 43 43 ILE CG1 C 13 26.394 0.400 . 1 . . . . 42 ILE CG1 . 17066 1 482 . 1 1 43 43 ILE CG2 C 13 18.757 0.400 . 1 . . . . 42 ILE CG2 . 17066 1 483 . 1 1 43 43 ILE N N 15 121.312 0.400 . 1 . . . . 42 ILE N . 17066 1 484 . 1 1 44 44 TYR H H 1 7.806 0.020 . 1 . . . . 43 TYR H . 17066 1 485 . 1 1 44 44 TYR HA H 1 4.576 0.020 . 1 . . . . 43 TYR HA . 17066 1 486 . 1 1 44 44 TYR HB2 H 1 2.356 0.020 . 2 . . . . 43 TYR HB2 . 17066 1 487 . 1 1 44 44 TYR HB3 H 1 3.299 0.020 . 2 . . . . 43 TYR HB3 . 17066 1 488 . 1 1 44 44 TYR HD2 H 1 6.848 0.020 . 1 . . . . 43 TYR HD2 . 17066 1 489 . 1 1 44 44 TYR C C 13 172.740 0.400 . 1 . . . . 43 TYR C . 17066 1 490 . 1 1 44 44 TYR CA C 13 59.266 0.400 . 1 . . . . 43 TYR CA . 17066 1 491 . 1 1 44 44 TYR CB C 13 42.150 0.400 . 1 . . . . 43 TYR CB . 17066 1 492 . 1 1 44 44 TYR N N 15 121.231 0.400 . 1 . . . . 43 TYR N . 17066 1 493 . 1 1 45 45 CYS H H 1 7.825 0.020 . 1 . . . . 44 CYS H . 17066 1 494 . 1 1 45 45 CYS HA H 1 4.741 0.020 . 1 . . . . 44 CYS HA . 17066 1 495 . 1 1 45 45 CYS HB2 H 1 2.450 0.020 . 2 . . . . 44 CYS HB2 . 17066 1 496 . 1 1 45 45 CYS HB3 H 1 2.608 0.020 . 2 . . . . 44 CYS HB3 . 17066 1 497 . 1 1 45 45 CYS C C 13 171.396 0.400 . 1 . . . . 44 CYS C . 17066 1 498 . 1 1 45 45 CYS CA C 13 53.954 0.400 . 1 . . . . 44 CYS CA . 17066 1 499 . 1 1 45 45 CYS CB C 13 31.707 0.400 . 1 . . . . 44 CYS CB . 17066 1 500 . 1 1 45 45 CYS N N 15 123.500 0.400 . 1 . . . . 44 CYS N . 17066 1 501 . 1 1 46 46 ASN H H 1 7.984 0.020 . 1 . . . . 45 ASN H . 17066 1 502 . 1 1 46 46 ASN HA H 1 4.435 0.020 . 1 . . . . 45 ASN HA . 17066 1 503 . 1 1 46 46 ASN HB2 H 1 1.932 0.020 . 2 . . . . 45 ASN HB2 . 17066 1 504 . 1 1 46 46 ASN HB3 H 1 3.582 0.020 . 2 . . . . 45 ASN HB3 . 17066 1 505 . 1 1 46 46 ASN HD21 H 1 8.743 0.020 . 2 . . . . 45 ASN HD21 . 17066 1 506 . 1 1 46 46 ASN HD22 H 1 7.848 0.020 . 2 . . . . 45 ASN HD22 . 17066 1 507 . 1 1 46 46 ASN C C 13 174.064 0.400 . 1 . . . . 45 ASN C . 17066 1 508 . 1 1 46 46 ASN CA C 13 50.664 0.400 . 1 . . . . 45 ASN CA . 17066 1 509 . 1 1 46 46 ASN CB C 13 39.428 0.400 . 1 . . . . 45 ASN CB . 17066 1 510 . 1 1 46 46 ASN N N 15 122.844 0.400 . 1 . . . . 45 ASN N . 17066 1 511 . 1 1 46 46 ASN ND2 N 15 119.124 0.400 . 1 . . . . 45 ASN ND2 . 17066 1 512 . 1 1 47 47 ASP H H 1 9.164 0.020 . 1 . . . . 46 ASP H . 17066 1 513 . 1 1 47 47 ASP HA H 1 4.238 0.020 . 1 . . . . 46 ASP HA . 17066 1 514 . 1 1 47 47 ASP HB2 H 1 2.677 0.020 . 2 . . . . 46 ASP HB2 . 17066 1 515 . 1 1 47 47 ASP HB3 H 1 2.677 0.020 . 2 . . . . 46 ASP HB3 . 17066 1 516 . 1 1 47 47 ASP C C 13 179.200 0.400 . 1 . . . . 46 ASP C . 17066 1 517 . 1 1 47 47 ASP CA C 13 57.948 0.400 . 1 . . . . 46 ASP CA . 17066 1 518 . 1 1 47 47 ASP CB C 13 39.133 0.400 . 1 . . . . 46 ASP CB . 17066 1 519 . 1 1 47 47 ASP N N 15 121.312 0.400 . 1 . . . . 46 ASP N . 17066 1 520 . 1 1 48 48 GLY H H 1 7.975 0.020 . 1 . . . . 47 GLY H . 17066 1 521 . 1 1 48 48 GLY HA2 H 1 3.842 0.020 . 2 . . . . 47 GLY HA2 . 17066 1 522 . 1 1 48 48 GLY HA3 H 1 4.020 0.020 . 2 . . . . 47 GLY HA3 . 17066 1 523 . 1 1 48 48 GLY C C 13 176.158 0.400 . 1 . . . . 47 GLY C . 17066 1 524 . 1 1 48 48 GLY CA C 13 47.360 0.400 . 1 . . . . 47 GLY CA . 17066 1 525 . 1 1 48 48 GLY N N 15 105.319 0.400 . 1 . . . . 47 GLY N . 17066 1 526 . 1 1 49 49 PHE H H 1 8.193 0.020 . 1 . . . . 48 PHE H . 17066 1 527 . 1 1 49 49 PHE HA H 1 3.841 0.020 . 1 . . . . 48 PHE HA . 17066 1 528 . 1 1 49 49 PHE HB2 H 1 3.027 0.020 . 2 . . . . 48 PHE HB2 . 17066 1 529 . 1 1 49 49 PHE HB3 H 1 3.104 0.020 . 2 . . . . 48 PHE HB3 . 17066 1 530 . 1 1 49 49 PHE HD2 H 1 6.542 0.020 . 1 . . . . 48 PHE HD2 . 17066 1 531 . 1 1 49 49 PHE C C 13 176.573 0.400 . 1 . . . . 48 PHE C . 17066 1 532 . 1 1 49 49 PHE CA C 13 62.945 0.400 . 1 . . . . 48 PHE CA . 17066 1 533 . 1 1 49 49 PHE CB C 13 39.183 0.400 . 1 . . . . 48 PHE CB . 17066 1 534 . 1 1 49 49 PHE N N 15 123.938 0.400 . 1 . . . . 48 PHE N . 17066 1 535 . 1 1 50 50 CYS H H 1 7.420 0.020 . 1 . . . . 49 CYS H . 17066 1 536 . 1 1 50 50 CYS HA H 1 3.930 0.020 . 1 . . . . 49 CYS HA . 17066 1 537 . 1 1 50 50 CYS HB2 H 1 2.852 0.020 . 2 . . . . 49 CYS HB2 . 17066 1 538 . 1 1 50 50 CYS HB3 H 1 3.200 0.020 . 2 . . . . 49 CYS HB3 . 17066 1 539 . 1 1 50 50 CYS C C 13 177.363 0.400 . 1 . . . . 49 CYS C . 17066 1 540 . 1 1 50 50 CYS CA C 13 63.798 0.400 . 1 . . . . 49 CYS CA . 17066 1 541 . 1 1 50 50 CYS CB C 13 27.338 0.400 . 1 . . . . 49 CYS CB . 17066 1 542 . 1 1 50 50 CYS N N 15 119.781 0.400 . 1 . . . . 49 CYS N . 17066 1 543 . 1 1 51 51 GLU H H 1 8.277 0.020 . 1 . . . . 50 GLU H . 17066 1 544 . 1 1 51 51 GLU HA H 1 3.812 0.020 . 1 . . . . 50 GLU HA . 17066 1 545 . 1 1 51 51 GLU HB2 H 1 1.927 0.020 . 2 . . . . 50 GLU HB2 . 17066 1 546 . 1 1 51 51 GLU HB3 H 1 1.927 0.020 . 2 . . . . 50 GLU HB3 . 17066 1 547 . 1 1 51 51 GLU HG2 H 1 2.086 0.020 . 2 . . . . 50 GLU HG2 . 17066 1 548 . 1 1 51 51 GLU HG3 H 1 2.227 0.020 . 2 . . . . 50 GLU HG3 . 17066 1 549 . 1 1 51 51 GLU C C 13 178.094 0.400 . 1 . . . . 50 GLU C . 17066 1 550 . 1 1 51 51 GLU CA C 13 58.270 0.400 . 1 . . . . 50 GLU CA . 17066 1 551 . 1 1 51 51 GLU CB C 13 29.715 0.400 . 1 . . . . 50 GLU CB . 17066 1 552 . 1 1 51 51 GLU CG C 13 36.021 0.400 . 1 . . . . 50 GLU CG . 17066 1 553 . 1 1 51 51 GLU N N 15 119.380 0.400 . 1 . . . . 50 GLU N . 17066 1 554 . 1 1 52 52 LEU H H 1 7.564 0.020 . 1 . . . . 51 LEU H . 17066 1 555 . 1 1 52 52 LEU HA H 1 3.857 0.020 . 1 . . . . 51 LEU HA . 17066 1 556 . 1 1 52 52 LEU HB2 H 1 1.343 0.020 . 2 . . . . 51 LEU HB2 . 17066 1 557 . 1 1 52 52 LEU HB3 H 1 1.774 0.020 . 2 . . . . 51 LEU HB3 . 17066 1 558 . 1 1 52 52 LEU HD11 H 1 0.311 0.020 . 2 . . . . 51 LEU HD1 . 17066 1 559 . 1 1 52 52 LEU HD12 H 1 0.311 0.020 . 2 . . . . 51 LEU HD1 . 17066 1 560 . 1 1 52 52 LEU HD13 H 1 0.311 0.020 . 2 . . . . 51 LEU HD1 . 17066 1 561 . 1 1 52 52 LEU HD21 H 1 0.603 0.020 . 2 . . . . 51 LEU HD2 . 17066 1 562 . 1 1 52 52 LEU HD22 H 1 0.603 0.020 . 2 . . . . 51 LEU HD2 . 17066 1 563 . 1 1 52 52 LEU HD23 H 1 0.603 0.020 . 2 . . . . 51 LEU HD2 . 17066 1 564 . 1 1 52 52 LEU HG H 1 0.798 0.020 . 1 . . . . 51 LEU HG . 17066 1 565 . 1 1 52 52 LEU C C 13 176.098 0.400 . 1 . . . . 51 LEU C . 17066 1 566 . 1 1 52 52 LEU CA C 13 57.567 0.400 . 1 . . . . 51 LEU CA . 17066 1 567 . 1 1 52 52 LEU CB C 13 41.652 0.400 . 1 . . . . 51 LEU CB . 17066 1 568 . 1 1 52 52 LEU CD1 C 13 23.406 0.400 . 1 . . . . 51 LEU CD1 . 17066 1 569 . 1 1 52 52 LEU CD2 C 13 25.730 0.400 . 1 . . . . 51 LEU CD2 . 17066 1 570 . 1 1 52 52 LEU CG C 13 26.726 0.400 . 1 . . . . 51 LEU CG . 17066 1 571 . 1 1 52 52 LEU N N 15 119.999 0.400 . 1 . . . . 51 LEU N . 17066 1 572 . 1 1 53 53 CYS H H 1 7.283 0.020 . 1 . . . . 52 CYS H . 17066 1 573 . 1 1 53 53 CYS HA H 1 4.539 0.020 . 1 . . . . 52 CYS HA . 17066 1 574 . 1 1 53 53 CYS HB2 H 1 2.246 0.020 . 2 . . . . 52 CYS HB2 . 17066 1 575 . 1 1 53 53 CYS HB3 H 1 3.000 0.020 . 2 . . . . 52 CYS HB3 . 17066 1 576 . 1 1 53 53 CYS C C 13 174.123 0.400 . 1 . . . . 52 CYS C . 17066 1 577 . 1 1 53 53 CYS CA C 13 57.938 0.400 . 1 . . . . 52 CYS CA . 17066 1 578 . 1 1 53 53 CYS CB C 13 29.383 0.400 . 1 . . . . 52 CYS CB . 17066 1 579 . 1 1 53 53 CYS N N 15 106.794 0.400 . 1 . . . . 52 CYS N . 17066 1 580 . 1 1 54 54 GLY H H 1 8.002 0.020 . 1 . . . . 53 GLY H . 17066 1 581 . 1 1 54 54 GLY HA2 H 1 4.228 0.020 . 2 . . . . 53 GLY HA2 . 17066 1 582 . 1 1 54 54 GLY HA3 H 1 3.570 0.020 . 2 . . . . 53 GLY HA3 . 17066 1 583 . 1 1 54 54 GLY C C 13 173.194 0.400 . 1 . . . . 53 GLY C . 17066 1 584 . 1 1 54 54 GLY CA C 13 45.974 0.400 . 1 . . . . 53 GLY CA . 17066 1 585 . 1 1 54 54 GLY N N 15 111.029 0.400 . 1 . . . . 53 GLY N . 17066 1 586 . 1 1 55 55 TYR H H 1 7.472 0.020 . 1 . . . . 54 TYR H . 17066 1 587 . 1 1 55 55 TYR HA H 1 4.315 0.020 . 1 . . . . 54 TYR HA . 17066 1 588 . 1 1 55 55 TYR HB2 H 1 2.627 0.020 . 2 . . . . 54 TYR HB2 . 17066 1 589 . 1 1 55 55 TYR HB3 H 1 2.627 0.020 . 2 . . . . 54 TYR HB3 . 17066 1 590 . 1 1 55 55 TYR HD2 H 1 6.863 0.020 . 1 . . . . 54 TYR HD2 . 17066 1 591 . 1 1 55 55 TYR C C 13 174.024 0.400 . 1 . . . . 54 TYR C . 17066 1 592 . 1 1 55 55 TYR CA C 13 57.606 0.400 . 1 . . . . 54 TYR CA . 17066 1 593 . 1 1 55 55 TYR CB C 13 39.359 0.400 . 1 . . . . 54 TYR CB . 17066 1 594 . 1 1 55 55 TYR N N 15 118.957 0.400 . 1 . . . . 54 TYR N . 17066 1 595 . 1 1 56 56 SER H H 1 8.772 0.020 . 1 . . . . 55 SER H . 17066 1 596 . 1 1 56 56 SER HA H 1 4.333 0.020 . 1 . . . . 55 SER HA . 17066 1 597 . 1 1 56 56 SER HB2 H 1 3.910 0.020 . 2 . . . . 55 SER HB2 . 17066 1 598 . 1 1 56 56 SER HB3 H 1 4.101 0.020 . 2 . . . . 55 SER HB3 . 17066 1 599 . 1 1 56 56 SER C C 13 175.249 0.400 . 1 . . . . 55 SER C . 17066 1 600 . 1 1 56 56 SER CA C 13 57.117 0.400 . 1 . . . . 55 SER CA . 17066 1 601 . 1 1 56 56 SER CB C 13 65.627 0.400 . 1 . . . . 55 SER CB . 17066 1 602 . 1 1 56 56 SER N N 15 116.280 0.400 . 1 . . . . 55 SER N . 17066 1 603 . 1 1 57 57 ARG H H 1 8.845 0.020 . 1 . . . . 56 ARG H . 17066 1 604 . 1 1 57 57 ARG HA H 1 3.610 0.020 . 1 . . . . 56 ARG HA . 17066 1 605 . 1 1 57 57 ARG HB2 H 1 1.676 0.020 . 2 . . . . 56 ARG HB2 . 17066 1 606 . 1 1 57 57 ARG HB3 H 1 1.723 0.020 . 2 . . . . 56 ARG HB3 . 17066 1 607 . 1 1 57 57 ARG HD2 H 1 3.121 0.020 . 2 . . . . 56 ARG HD2 . 17066 1 608 . 1 1 57 57 ARG HD3 H 1 3.269 0.020 . 2 . . . . 56 ARG HD3 . 17066 1 609 . 1 1 57 57 ARG HG2 H 1 1.261 0.020 . 2 . . . . 56 ARG HG2 . 17066 1 610 . 1 1 57 57 ARG HG3 H 1 1.446 0.020 . 2 . . . . 56 ARG HG3 . 17066 1 611 . 1 1 57 57 ARG C C 13 177.975 0.400 . 1 . . . . 56 ARG C . 17066 1 612 . 1 1 57 57 ARG CA C 13 60.594 0.400 . 1 . . . . 56 ARG CA . 17066 1 613 . 1 1 57 57 ARG CB C 13 29.383 0.400 . 1 . . . . 56 ARG CB . 17066 1 614 . 1 1 57 57 ARG CG C 13 29.383 0.400 . 1 . . . . 56 ARG CG . 17066 1 615 . 1 1 57 57 ARG N N 15 122.954 0.400 . 1 . . . . 56 ARG N . 17066 1 616 . 1 1 57 57 ARG NE N 15 112.779 0.400 . 1 . . . . 56 ARG NE . 17066 1 617 . 1 1 58 58 ALA H H 1 8.214 0.020 . 1 . . . . 57 ALA H . 17066 1 618 . 1 1 58 58 ALA HA H 1 3.947 0.020 . 1 . . . . 57 ALA HA . 17066 1 619 . 1 1 58 58 ALA HB1 H 1 1.304 0.020 . 1 . . . . 57 ALA HB . 17066 1 620 . 1 1 58 58 ALA HB2 H 1 1.304 0.020 . 1 . . . . 57 ALA HB . 17066 1 621 . 1 1 58 58 ALA HB3 H 1 1.304 0.020 . 1 . . . . 57 ALA HB . 17066 1 622 . 1 1 58 58 ALA C C 13 179.615 0.400 . 1 . . . . 57 ALA C . 17066 1 623 . 1 1 58 58 ALA CA C 13 54.561 0.400 . 1 . . . . 57 ALA CA . 17066 1 624 . 1 1 58 58 ALA CB C 13 18.361 0.400 . 1 . . . . 57 ALA CB . 17066 1 625 . 1 1 58 58 ALA N N 15 118.249 0.400 . 1 . . . . 57 ALA N . 17066 1 626 . 1 1 59 59 GLU H H 1 7.526 0.020 . 1 . . . . 58 GLU H . 17066 1 627 . 1 1 59 59 GLU HA H 1 3.949 0.020 . 1 . . . . 58 GLU HA . 17066 1 628 . 1 1 59 59 GLU HB2 H 1 1.940 0.020 . 2 . . . . 58 GLU HB2 . 17066 1 629 . 1 1 59 59 GLU HB3 H 1 2.419 0.020 . 2 . . . . 58 GLU HB3 . 17066 1 630 . 1 1 59 59 GLU HG2 H 1 2.145 0.020 . 2 . . . . 58 GLU HG2 . 17066 1 631 . 1 1 59 59 GLU HG3 H 1 2.191 0.020 . 2 . . . . 58 GLU HG3 . 17066 1 632 . 1 1 59 59 GLU C C 13 175.723 0.400 . 1 . . . . 58 GLU C . 17066 1 633 . 1 1 59 59 GLU CA C 13 57.536 0.400 . 1 . . . . 58 GLU CA . 17066 1 634 . 1 1 59 59 GLU CB C 13 31.043 0.400 . 1 . . . . 58 GLU CB . 17066 1 635 . 1 1 59 59 GLU CG C 13 37.684 0.400 . 1 . . . . 58 GLU CG . 17066 1 636 . 1 1 59 59 GLU N N 15 115.518 0.400 . 1 . . . . 58 GLU N . 17066 1 637 . 1 1 60 60 VAL H H 1 7.385 0.020 . 1 . . . . 59 VAL H . 17066 1 638 . 1 1 60 60 VAL HA H 1 3.304 0.020 . 1 . . . . 59 VAL HA . 17066 1 639 . 1 1 60 60 VAL HB H 1 1.976 0.020 . 1 . . . . 59 VAL HB . 17066 1 640 . 1 1 60 60 VAL HG11 H 1 0.836 0.020 . 2 . . . . 59 VAL HG1 . 17066 1 641 . 1 1 60 60 VAL HG12 H 1 0.836 0.020 . 2 . . . . 59 VAL HG1 . 17066 1 642 . 1 1 60 60 VAL HG13 H 1 0.836 0.020 . 2 . . . . 59 VAL HG1 . 17066 1 643 . 1 1 60 60 VAL HG21 H 1 0.836 0.020 . 2 . . . . 59 VAL HG2 . 17066 1 644 . 1 1 60 60 VAL HG22 H 1 0.836 0.020 . 2 . . . . 59 VAL HG2 . 17066 1 645 . 1 1 60 60 VAL HG23 H 1 0.836 0.020 . 2 . . . . 59 VAL HG2 . 17066 1 646 . 1 1 60 60 VAL C C 13 175.703 0.400 . 1 . . . . 59 VAL C . 17066 1 647 . 1 1 60 60 VAL CA C 13 64.195 0.400 . 1 . . . . 59 VAL CA . 17066 1 648 . 1 1 60 60 VAL CB C 13 33.699 0.400 . 1 . . . . 59 VAL CB . 17066 1 649 . 1 1 60 60 VAL CG1 C 13 22.078 0.400 . 1 . . . . 59 VAL CG1 . 17066 1 650 . 1 1 60 60 VAL N N 15 118.687 0.400 . 1 . . . . 59 VAL N . 17066 1 651 . 1 1 61 61 MET H H 1 7.712 0.020 . 1 . . . . 60 MET H . 17066 1 652 . 1 1 61 61 MET HA H 1 3.810 0.020 . 1 . . . . 60 MET HA . 17066 1 653 . 1 1 61 61 MET HB2 H 1 1.938 0.020 . 2 . . . . 60 MET HB2 . 17066 1 654 . 1 1 61 61 MET HB3 H 1 1.867 0.020 . 2 . . . . 60 MET HB3 . 17066 1 655 . 1 1 61 61 MET HG2 H 1 2.493 0.020 . 2 . . . . 60 MET HG2 . 17066 1 656 . 1 1 61 61 MET HG3 H 1 2.619 0.020 . 2 . . . . 60 MET HG3 . 17066 1 657 . 1 1 61 61 MET C C 13 176.889 0.400 . 1 . . . . 60 MET C . 17066 1 658 . 1 1 61 61 MET CA C 13 56.263 0.400 . 1 . . . . 60 MET CA . 17066 1 659 . 1 1 61 61 MET CB C 13 31.707 0.400 . 1 . . . . 60 MET CB . 17066 1 660 . 1 1 61 61 MET CG C 13 33.367 0.400 . 1 . . . . 60 MET CG . 17066 1 661 . 1 1 61 61 MET N N 15 115.340 0.400 . 1 . . . . 60 MET N . 17066 1 662 . 1 1 62 62 GLN H H 1 8.549 0.020 . 1 . . . . 61 GLN H . 17066 1 663 . 1 1 62 62 GLN HA H 1 3.813 0.020 . 1 . . . . 61 GLN HA . 17066 1 664 . 1 1 62 62 GLN HB2 H 1 2.314 0.020 . 2 . . . . 61 GLN HB2 . 17066 1 665 . 1 1 62 62 GLN HB3 H 1 2.344 0.020 . 2 . . . . 61 GLN HB3 . 17066 1 666 . 1 1 62 62 GLN HE21 H 1 6.736 0.020 . 2 . . . . 61 GLN HE21 . 17066 1 667 . 1 1 62 62 GLN HE22 H 1 7.424 0.020 . 2 . . . . 61 GLN HE22 . 17066 1 668 . 1 1 62 62 GLN HG2 H 1 2.310 0.020 . 2 . . . . 61 GLN HG2 . 17066 1 669 . 1 1 62 62 GLN HG3 H 1 2.320 0.020 . 2 . . . . 61 GLN HG3 . 17066 1 670 . 1 1 62 62 GLN C C 13 175.111 0.400 . 1 . . . . 61 GLN C . 17066 1 671 . 1 1 62 62 GLN CA C 13 57.606 0.400 . 1 . . . . 61 GLN CA . 17066 1 672 . 1 1 62 62 GLN CB C 13 27.058 0.400 . 1 . . . . 61 GLN CB . 17066 1 673 . 1 1 62 62 GLN CG C 13 34.031 0.400 . 1 . . . . 61 GLN CG . 17066 1 674 . 1 1 62 62 GLN N N 15 112.069 0.400 . 1 . . . . 61 GLN N . 17066 1 675 . 1 1 62 62 GLN NE2 N 15 111.466 0.400 . 1 . . . . 61 GLN NE2 . 17066 1 676 . 1 1 63 63 ARG H H 1 7.658 0.020 . 1 . . . . 62 ARG H . 17066 1 677 . 1 1 63 63 ARG HA H 1 4.557 0.020 . 1 . . . . 62 ARG HA . 17066 1 678 . 1 1 63 63 ARG HB2 H 1 1.853 0.020 . 2 . . . . 62 ARG HB2 . 17066 1 679 . 1 1 63 63 ARG HB3 H 1 1.853 0.020 . 2 . . . . 62 ARG HB3 . 17066 1 680 . 1 1 63 63 ARG HD2 H 1 2.765 0.020 . 2 . . . . 62 ARG HD2 . 17066 1 681 . 1 1 63 63 ARG HD3 H 1 2.765 0.020 . 2 . . . . 62 ARG HD3 . 17066 1 682 . 1 1 63 63 ARG HG2 H 1 1.416 0.020 . 2 . . . . 62 ARG HG2 . 17066 1 683 . 1 1 63 63 ARG HG3 H 1 1.416 0.020 . 2 . . . . 62 ARG HG3 . 17066 1 684 . 1 1 63 63 ARG C C 13 173.781 0.400 . 1 . . . . 62 ARG C . 17066 1 685 . 1 1 63 63 ARG CA C 13 54.286 0.400 . 1 . . . . 62 ARG CA . 17066 1 686 . 1 1 63 63 ARG CB C 13 29.051 0.400 . 1 . . . . 62 ARG CB . 17066 1 687 . 1 1 63 63 ARG CD C 13 42.996 0.400 . 1 . . . . 62 ARG CD . 17066 1 688 . 1 1 63 63 ARG CG C 13 27.722 0.400 . 1 . . . . 62 ARG CG . 17066 1 689 . 1 1 63 63 ARG N N 15 120.114 0.400 . 1 . . . . 62 ARG N . 17066 1 690 . 1 1 63 63 ARG NE N 15 113.436 0.400 . 1 . . . . 62 ARG NE . 17066 1 691 . 1 1 64 64 PRO HA H 1 4.446 0.020 . 1 . . . . 63 PRO HA . 17066 1 692 . 1 1 64 64 PRO HB2 H 1 1.936 0.020 . 2 . . . . 63 PRO HB2 . 17066 1 693 . 1 1 64 64 PRO HB3 H 1 2.492 0.020 . 2 . . . . 63 PRO HB3 . 17066 1 694 . 1 1 64 64 PRO HD2 H 1 3.671 0.020 . 2 . . . . 63 PRO HD2 . 17066 1 695 . 1 1 64 64 PRO HD3 H 1 3.855 0.020 . 2 . . . . 63 PRO HD3 . 17066 1 696 . 1 1 64 64 PRO HG2 H 1 1.994 0.020 . 2 . . . . 63 PRO HG2 . 17066 1 697 . 1 1 64 64 PRO HG3 H 1 2.219 0.020 . 2 . . . . 63 PRO HG3 . 17066 1 698 . 1 1 64 64 PRO C C 13 179.892 0.400 . 1 . . . . 63 PRO C . 17066 1 699 . 1 1 64 64 PRO CA C 13 63.915 0.400 . 1 . . . . 63 PRO CA . 17066 1 700 . 1 1 64 64 PRO CB C 13 32.703 0.400 . 1 . . . . 63 PRO CB . 17066 1 701 . 1 1 64 64 PRO CD C 13 50.301 0.400 . 1 . . . . 63 PRO CD . 17066 1 702 . 1 1 64 64 PRO CG C 13 28.386 0.400 . 1 . . . . 63 PRO CG . 17066 1 703 . 1 1 65 65 CYS H H 1 8.321 0.020 . 1 . . . . 64 CYS H . 17066 1 704 . 1 1 65 65 CYS HA H 1 4.186 0.020 . 1 . . . . 64 CYS HA . 17066 1 705 . 1 1 65 65 CYS HB2 H 1 2.713 0.020 . 2 . . . . 64 CYS HB2 . 17066 1 706 . 1 1 65 65 CYS HB3 H 1 3.027 0.020 . 2 . . . . 64 CYS HB3 . 17066 1 707 . 1 1 65 65 CYS C C 13 172.029 0.400 . 1 . . . . 64 CYS C . 17066 1 708 . 1 1 65 65 CYS CA C 13 60.637 0.400 . 1 . . . . 64 CYS CA . 17066 1 709 . 1 1 65 65 CYS CB C 13 27.991 0.400 . 1 . . . . 64 CYS CB . 17066 1 710 . 1 1 65 65 CYS N N 15 119.562 0.400 . 1 . . . . 64 CYS N . 17066 1 711 . 1 1 66 66 THR H H 1 6.924 0.020 . 1 . . . . 65 THR H . 17066 1 712 . 1 1 66 66 THR HA H 1 3.701 0.020 . 1 . . . . 65 THR HA . 17066 1 713 . 1 1 66 66 THR HB H 1 4.315 0.020 . 1 . . . . 65 THR HB . 17066 1 714 . 1 1 66 66 THR HG21 H 1 1.093 0.020 . 1 . . . . 65 THR HG2 . 17066 1 715 . 1 1 66 66 THR HG22 H 1 1.093 0.020 . 1 . . . . 65 THR HG2 . 17066 1 716 . 1 1 66 66 THR HG23 H 1 1.093 0.020 . 1 . . . . 65 THR HG2 . 17066 1 717 . 1 1 66 66 THR C C 13 174.755 0.400 . 1 . . . . 65 THR C . 17066 1 718 . 1 1 66 66 THR CA C 13 62.919 0.400 . 1 . . . . 65 THR CA . 17066 1 719 . 1 1 66 66 THR CB C 13 67.567 0.400 . 1 . . . . 65 THR CB . 17066 1 720 . 1 1 66 66 THR CG2 C 13 23.380 0.400 . 1 . . . . 65 THR CG2 . 17066 1 721 . 1 1 66 66 THR N N 15 107.747 0.400 . 1 . . . . 65 THR N . 17066 1 722 . 1 1 67 67 CYS H H 1 8.193 0.020 . 1 . . . . 66 CYS H . 17066 1 723 . 1 1 67 67 CYS HA H 1 3.394 0.020 . 1 . . . . 66 CYS HA . 17066 1 724 . 1 1 67 67 CYS HB2 H 1 1.588 0.020 . 2 . . . . 66 CYS HB2 . 17066 1 725 . 1 1 67 67 CYS HB3 H 1 2.869 0.020 . 2 . . . . 66 CYS HB3 . 17066 1 726 . 1 1 67 67 CYS C C 13 174.676 0.400 . 1 . . . . 66 CYS C . 17066 1 727 . 1 1 67 67 CYS CA C 13 60.594 0.400 . 1 . . . . 66 CYS CA . 17066 1 728 . 1 1 67 67 CYS CB C 13 23.856 0.400 . 1 . . . . 66 CYS CB . 17066 1 729 . 1 1 67 67 CYS N N 15 110.810 0.400 . 1 . . . . 66 CYS N . 17066 1 730 . 1 1 68 68 ASP H H 1 8.221 0.020 . 1 . . . . 67 ASP H . 17066 1 731 . 1 1 68 68 ASP HB2 H 1 2.217 0.020 . 2 . . . . 67 ASP HB2 . 17066 1 732 . 1 1 68 68 ASP HB3 H 1 2.408 0.020 . 2 . . . . 67 ASP HB3 . 17066 1 733 . 1 1 68 68 ASP C C 13 177.185 0.400 . 1 . . . . 67 ASP C . 17066 1 734 . 1 1 68 68 ASP CA C 13 55.614 0.400 . 1 . . . . 67 ASP CA . 17066 1 735 . 1 1 68 68 ASP CB C 13 39.344 0.400 . 1 . . . . 67 ASP CB . 17066 1 736 . 1 1 68 68 ASP N N 15 117.100 0.400 . 1 . . . . 67 ASP N . 17066 1 737 . 1 1 69 69 PHE H H 1 6.887 0.020 . 1 . . . . 68 PHE H . 17066 1 738 . 1 1 69 69 PHE HA H 1 4.362 0.020 . 1 . . . . 68 PHE HA . 17066 1 739 . 1 1 69 69 PHE HB2 H 1 2.835 0.020 . 2 . . . . 68 PHE HB2 . 17066 1 740 . 1 1 69 69 PHE HB3 H 1 2.951 0.020 . 2 . . . . 68 PHE HB3 . 17066 1 741 . 1 1 69 69 PHE HD2 H 1 6.567 0.020 . 1 . . . . 68 PHE HD2 . 17066 1 742 . 1 1 69 69 PHE C C 13 175.427 0.400 . 1 . . . . 68 PHE C . 17066 1 743 . 1 1 69 69 PHE CA C 13 56.610 0.400 . 1 . . . . 68 PHE CA . 17066 1 744 . 1 1 69 69 PHE CB C 13 37.055 0.400 . 1 . . . . 68 PHE CB . 17066 1 745 . 1 1 69 69 PHE N N 15 113.775 0.400 . 1 . . . . 68 PHE N . 17066 1 746 . 1 1 70 70 LEU H H 1 7.477 0.020 . 1 . . . . 69 LEU H . 17066 1 747 . 1 1 70 70 LEU HA H 1 4.503 0.020 . 1 . . . . 69 LEU HA . 17066 1 748 . 1 1 70 70 LEU HB2 H 1 1.180 0.020 . 2 . . . . 69 LEU HB2 . 17066 1 749 . 1 1 70 70 LEU HB3 H 1 1.180 0.020 . 2 . . . . 69 LEU HB3 . 17066 1 750 . 1 1 70 70 LEU HD11 H 1 0.709 0.020 . 2 . . . . 69 LEU HD1 . 17066 1 751 . 1 1 70 70 LEU HD12 H 1 0.709 0.020 . 2 . . . . 69 LEU HD1 . 17066 1 752 . 1 1 70 70 LEU HD13 H 1 0.709 0.020 . 2 . . . . 69 LEU HD1 . 17066 1 753 . 1 1 70 70 LEU HD21 H 1 0.009 0.020 . 2 . . . . 69 LEU HD2 . 17066 1 754 . 1 1 70 70 LEU HD22 H 1 0.009 0.020 . 2 . . . . 69 LEU HD2 . 17066 1 755 . 1 1 70 70 LEU HD23 H 1 0.009 0.020 . 2 . . . . 69 LEU HD2 . 17066 1 756 . 1 1 70 70 LEU HG H 1 0.209 0.020 . 1 . . . . 69 LEU HG . 17066 1 757 . 1 1 70 70 LEU C C 13 176.691 0.400 . 1 . . . . 69 LEU C . 17066 1 758 . 1 1 70 70 LEU CA C 13 53.954 0.400 . 1 . . . . 69 LEU CA . 17066 1 759 . 1 1 70 70 LEU CB C 13 40.949 0.400 . 1 . . . . 69 LEU CB . 17066 1 760 . 1 1 70 70 LEU CD1 C 13 24.070 0.400 . 1 . . . . 69 LEU CD1 . 17066 1 761 . 1 1 70 70 LEU CD2 C 13 24.402 0.400 . 1 . . . . 69 LEU CD2 . 17066 1 762 . 1 1 70 70 LEU CG C 13 25.398 0.400 . 1 . . . . 69 LEU CG . 17066 1 763 . 1 1 70 70 LEU N N 15 119.124 0.400 . 1 . . . . 69 LEU N . 17066 1 764 . 1 1 71 71 HIS H H 1 7.592 0.020 . 1 . . . . 70 HIS H . 17066 1 765 . 1 1 71 71 HIS HA H 1 5.226 0.020 . 1 . . . . 70 HIS HA . 17066 1 766 . 1 1 71 71 HIS HB2 H 1 3.115 0.020 . 2 . . . . 70 HIS HB2 . 17066 1 767 . 1 1 71 71 HIS HB3 H 1 3.348 0.020 . 2 . . . . 70 HIS HB3 . 17066 1 768 . 1 1 71 71 HIS C C 13 176.296 0.400 . 1 . . . . 70 HIS C . 17066 1 769 . 1 1 71 71 HIS CA C 13 55.282 0.400 . 1 . . . . 70 HIS CA . 17066 1 770 . 1 1 71 71 HIS CB C 13 32.371 0.400 . 1 . . . . 70 HIS CB . 17066 1 771 . 1 1 71 71 HIS N N 15 117.704 0.400 . 1 . . . . 70 HIS N . 17066 1 772 . 1 1 72 72 GLY H H 1 8.814 0.020 . 1 . . . . 71 GLY H . 17066 1 773 . 1 1 72 72 GLY HA2 H 1 3.985 0.020 . 2 . . . . 71 GLY HA2 . 17066 1 774 . 1 1 72 72 GLY HA3 H 1 2.562 0.020 . 2 . . . . 71 GLY HA3 . 17066 1 775 . 1 1 72 72 GLY C C 13 173.003 0.400 . 1 . . . . 71 GLY C . 17066 1 776 . 1 1 72 72 GLY CA C 13 45.321 0.400 . 1 . . . . 71 GLY CA . 17066 1 777 . 1 1 72 72 GLY N N 15 110.372 0.400 . 1 . . . . 71 GLY N . 17066 1 778 . 1 1 73 73 PRO HA H 1 4.159 0.020 . 1 . . . . 72 PRO HA . 17066 1 779 . 1 1 73 73 PRO HB2 H 1 1.847 0.020 . 2 . . . . 72 PRO HB2 . 17066 1 780 . 1 1 73 73 PRO HB3 H 1 2.385 0.020 . 2 . . . . 72 PRO HB3 . 17066 1 781 . 1 1 73 73 PRO HD2 H 1 2.935 0.020 . 2 . . . . 72 PRO HD2 . 17066 1 782 . 1 1 73 73 PRO HD3 H 1 3.205 0.020 . 2 . . . . 72 PRO HD3 . 17066 1 783 . 1 1 73 73 PRO HG2 H 1 1.901 0.020 . 2 . . . . 72 PRO HG2 . 17066 1 784 . 1 1 73 73 PRO HG3 H 1 2.082 0.020 . 2 . . . . 72 PRO HG3 . 17066 1 785 . 1 1 73 73 PRO C C 13 178.272 0.400 . 1 . . . . 72 PRO C . 17066 1 786 . 1 1 73 73 PRO CA C 13 66.708 0.400 . 1 . . . . 72 PRO CA . 17066 1 787 . 1 1 73 73 PRO CB C 13 32.371 0.400 . 1 . . . . 72 PRO CB . 17066 1 788 . 1 1 73 73 PRO CD C 13 48.973 0.400 . 1 . . . . 72 PRO CD . 17066 1 789 . 1 1 73 73 PRO CG C 13 27.058 0.400 . 1 . . . . 72 PRO CG . 17066 1 790 . 1 1 74 74 ARG H H 1 8.628 0.020 . 1 . . . . 73 ARG H . 17066 1 791 . 1 1 74 74 ARG HA H 1 4.197 0.020 . 1 . . . . 73 ARG HA . 17066 1 792 . 1 1 74 74 ARG HB2 H 1 1.658 0.020 . 2 . . . . 73 ARG HB2 . 17066 1 793 . 1 1 74 74 ARG HB3 H 1 1.975 0.020 . 2 . . . . 73 ARG HB3 . 17066 1 794 . 1 1 74 74 ARG HD2 H 1 3.132 0.020 . 2 . . . . 73 ARG HD2 . 17066 1 795 . 1 1 74 74 ARG HD3 H 1 3.204 0.020 . 2 . . . . 73 ARG HD3 . 17066 1 796 . 1 1 74 74 ARG HG2 H 1 1.657 0.020 . 2 . . . . 73 ARG HG2 . 17066 1 797 . 1 1 74 74 ARG HG3 H 1 1.679 0.020 . 2 . . . . 73 ARG HG3 . 17066 1 798 . 1 1 74 74 ARG C C 13 176.533 0.400 . 1 . . . . 73 ARG C . 17066 1 799 . 1 1 74 74 ARG CA C 13 56.701 0.400 . 1 . . . . 73 ARG CA . 17066 1 800 . 1 1 74 74 ARG CB C 13 30.247 0.400 . 1 . . . . 73 ARG CB . 17066 1 801 . 1 1 74 74 ARG CD C 13 43.660 0.400 . 1 . . . . 73 ARG CD . 17066 1 802 . 1 1 74 74 ARG CG C 13 27.797 0.400 . 1 . . . . 73 ARG CG . 17066 1 803 . 1 1 74 74 ARG N N 15 111.487 0.400 . 1 . . . . 73 ARG N . 17066 1 804 . 1 1 75 75 THR H H 1 8.294 0.020 . 1 . . . . 74 THR H . 17066 1 805 . 1 1 75 75 THR HA H 1 3.973 0.020 . 1 . . . . 74 THR HA . 17066 1 806 . 1 1 75 75 THR HB H 1 4.144 0.020 . 1 . . . . 74 THR HB . 17066 1 807 . 1 1 75 75 THR HG21 H 1 0.722 0.020 . 1 . . . . 74 THR HG2 . 17066 1 808 . 1 1 75 75 THR HG22 H 1 0.722 0.020 . 1 . . . . 74 THR HG2 . 17066 1 809 . 1 1 75 75 THR HG23 H 1 0.722 0.020 . 1 . . . . 74 THR HG2 . 17066 1 810 . 1 1 75 75 THR C C 13 174.459 0.400 . 1 . . . . 74 THR C . 17066 1 811 . 1 1 75 75 THR CA C 13 64.402 0.400 . 1 . . . . 74 THR CA . 17066 1 812 . 1 1 75 75 THR CB C 13 68.231 0.400 . 1 . . . . 74 THR CB . 17066 1 813 . 1 1 75 75 THR CG2 C 13 21.082 0.400 . 1 . . . . 74 THR CG2 . 17066 1 814 . 1 1 75 75 THR N N 15 119.562 0.400 . 1 . . . . 74 THR N . 17066 1 815 . 1 1 76 76 GLN H H 1 9.188 0.020 . 1 . . . . 75 GLN H . 17066 1 816 . 1 1 76 76 GLN HA H 1 4.229 0.020 . 1 . . . . 75 GLN HA . 17066 1 817 . 1 1 76 76 GLN HB2 H 1 2.014 0.020 . 2 . . . . 75 GLN HB2 . 17066 1 818 . 1 1 76 76 GLN HB3 H 1 2.198 0.020 . 2 . . . . 75 GLN HB3 . 17066 1 819 . 1 1 76 76 GLN HE21 H 1 6.629 0.020 . 2 . . . . 75 GLN HE21 . 17066 1 820 . 1 1 76 76 GLN HE22 H 1 7.554 0.020 . 2 . . . . 75 GLN HE22 . 17066 1 821 . 1 1 76 76 GLN HG2 H 1 2.538 0.020 . 2 . . . . 75 GLN HG2 . 17066 1 822 . 1 1 76 76 GLN HG3 H 1 2.538 0.020 . 2 . . . . 75 GLN HG3 . 17066 1 823 . 1 1 76 76 GLN C C 13 176.908 0.400 . 1 . . . . 75 GLN C . 17066 1 824 . 1 1 76 76 GLN CA C 13 56.397 0.400 . 1 . . . . 75 GLN CA . 17066 1 825 . 1 1 76 76 GLN CB C 13 28.386 0.400 . 1 . . . . 75 GLN CB . 17066 1 826 . 1 1 76 76 GLN CG C 13 34.031 0.400 . 1 . . . . 75 GLN CG . 17066 1 827 . 1 1 76 76 GLN N N 15 130.873 0.400 . 1 . . . . 75 GLN N . 17066 1 828 . 1 1 76 76 GLN NE2 N 15 112.123 0.400 . 1 . . . . 75 GLN NE2 . 17066 1 829 . 1 1 77 77 ARG H H 1 9.014 0.020 . 1 . . . . 76 ARG H . 17066 1 830 . 1 1 77 77 ARG HA H 1 3.895 0.020 . 1 . . . . 76 ARG HA . 17066 1 831 . 1 1 77 77 ARG HB2 H 1 1.848 0.020 . 2 . . . . 76 ARG HB2 . 17066 1 832 . 1 1 77 77 ARG HB3 H 1 1.888 0.020 . 2 . . . . 76 ARG HB3 . 17066 1 833 . 1 1 77 77 ARG HD2 H 1 3.188 0.020 . 2 . . . . 76 ARG HD2 . 17066 1 834 . 1 1 77 77 ARG HD3 H 1 3.188 0.020 . 2 . . . . 76 ARG HD3 . 17066 1 835 . 1 1 77 77 ARG HG2 H 1 1.709 0.020 . 2 . . . . 76 ARG HG2 . 17066 1 836 . 1 1 77 77 ARG HG3 H 1 1.771 0.020 . 2 . . . . 76 ARG HG3 . 17066 1 837 . 1 1 77 77 ARG CA C 13 58.934 0.400 . 1 . . . . 76 ARG CA . 17066 1 838 . 1 1 77 77 ARG CB C 13 29.051 0.400 . 1 . . . . 76 ARG CB . 17066 1 839 . 1 1 77 77 ARG CD C 13 42.664 0.400 . 1 . . . . 76 ARG CD . 17066 1 840 . 1 1 77 77 ARG CG C 13 26.726 0.400 . 1 . . . . 76 ARG CG . 17066 1 841 . 1 1 77 77 ARG N N 15 127.575 0.400 . 1 . . . . 76 ARG N . 17066 1 842 . 1 1 78 78 ARG HA H 1 4.050 0.020 . 1 . . . . 77 ARG HA . 17066 1 843 . 1 1 78 78 ARG HB2 H 1 1.731 0.020 . 2 . . . . 77 ARG HB2 . 17066 1 844 . 1 1 78 78 ARG HB3 H 1 1.849 0.020 . 2 . . . . 77 ARG HB3 . 17066 1 845 . 1 1 78 78 ARG HD2 H 1 3.151 0.020 . 2 . . . . 77 ARG HD2 . 17066 1 846 . 1 1 78 78 ARG HD3 H 1 3.151 0.020 . 2 . . . . 77 ARG HD3 . 17066 1 847 . 1 1 78 78 ARG HG2 H 1 1.544 0.020 . 2 . . . . 77 ARG HG2 . 17066 1 848 . 1 1 78 78 ARG HG3 H 1 1.644 0.020 . 2 . . . . 77 ARG HG3 . 17066 1 849 . 1 1 78 78 ARG C C 13 177.995 0.400 . 1 . . . . 77 ARG C . 17066 1 850 . 1 1 78 78 ARG CA C 13 59.094 0.400 . 1 . . . . 77 ARG CA . 17066 1 851 . 1 1 78 78 ARG CB C 13 29.586 0.400 . 1 . . . . 77 ARG CB . 17066 1 852 . 1 1 78 78 ARG CD C 13 42.996 0.400 . 1 . . . . 77 ARG CD . 17066 1 853 . 1 1 78 78 ARG CG C 13 27.044 0.400 . 1 . . . . 77 ARG CG . 17066 1 854 . 1 1 79 79 ALA H H 1 6.683 0.020 . 1 . . . . 78 ALA H . 17066 1 855 . 1 1 79 79 ALA HA H 1 4.197 0.020 . 1 . . . . 78 ALA HA . 17066 1 856 . 1 1 79 79 ALA HB1 H 1 1.414 0.020 . 1 . . . . 78 ALA HB . 17066 1 857 . 1 1 79 79 ALA HB2 H 1 1.414 0.020 . 1 . . . . 78 ALA HB . 17066 1 858 . 1 1 79 79 ALA HB3 H 1 1.414 0.020 . 1 . . . . 78 ALA HB . 17066 1 859 . 1 1 79 79 ALA C C 13 178.924 0.400 . 1 . . . . 78 ALA C . 17066 1 860 . 1 1 79 79 ALA CA C 13 54.587 0.400 . 1 . . . . 78 ALA CA . 17066 1 861 . 1 1 79 79 ALA CB C 13 18.425 0.400 . 1 . . . . 78 ALA CB . 17066 1 862 . 1 1 79 79 ALA N N 15 121.969 0.400 . 1 . . . . 78 ALA N . 17066 1 863 . 1 1 80 80 ALA H H 1 7.820 0.020 . 1 . . . . 79 ALA H . 17066 1 864 . 1 1 80 80 ALA HA H 1 3.798 0.020 . 1 . . . . 79 ALA HA . 17066 1 865 . 1 1 80 80 ALA HB1 H 1 1.327 0.020 . 1 . . . . 79 ALA HB . 17066 1 866 . 1 1 80 80 ALA HB2 H 1 1.327 0.020 . 1 . . . . 79 ALA HB . 17066 1 867 . 1 1 80 80 ALA HB3 H 1 1.327 0.020 . 1 . . . . 79 ALA HB . 17066 1 868 . 1 1 80 80 ALA C C 13 181.077 0.400 . 1 . . . . 79 ALA C . 17066 1 869 . 1 1 80 80 ALA CA C 13 54.950 0.400 . 1 . . . . 79 ALA CA . 17066 1 870 . 1 1 80 80 ALA CB C 13 17.429 0.400 . 1 . . . . 79 ALA CB . 17066 1 871 . 1 1 80 80 ALA N N 15 120.565 0.400 . 1 . . . . 79 ALA N . 17066 1 872 . 1 1 81 81 ALA H H 1 8.349 0.020 . 1 . . . . 80 ALA H . 17066 1 873 . 1 1 81 81 ALA HA H 1 4.172 0.020 . 1 . . . . 80 ALA HA . 17066 1 874 . 1 1 81 81 ALA HB1 H 1 1.455 0.020 . 1 . . . . 80 ALA HB . 17066 1 875 . 1 1 81 81 ALA HB2 H 1 1.455 0.020 . 1 . . . . 80 ALA HB . 17066 1 876 . 1 1 81 81 ALA HB3 H 1 1.455 0.020 . 1 . . . . 80 ALA HB . 17066 1 877 . 1 1 81 81 ALA C C 13 179.971 0.400 . 1 . . . . 80 ALA C . 17066 1 878 . 1 1 81 81 ALA CA C 13 54.703 0.400 . 1 . . . . 80 ALA CA . 17066 1 879 . 1 1 81 81 ALA CB C 13 17.718 0.400 . 1 . . . . 80 ALA CB . 17066 1 880 . 1 1 81 81 ALA N N 15 121.204 0.400 . 1 . . . . 80 ALA N . 17066 1 881 . 1 1 82 82 GLN H H 1 7.752 0.020 . 1 . . . . 81 GLN H . 17066 1 882 . 1 1 82 82 GLN HA H 1 3.977 0.020 . 1 . . . . 81 GLN HA . 17066 1 883 . 1 1 82 82 GLN HB2 H 1 2.454 0.020 . 2 . . . . 81 GLN HB2 . 17066 1 884 . 1 1 82 82 GLN HB3 H 1 1.887 0.020 . 2 . . . . 81 GLN HB3 . 17066 1 885 . 1 1 82 82 GLN HE21 H 1 6.795 0.020 . 2 . . . . 81 GLN HE21 . 17066 1 886 . 1 1 82 82 GLN HE22 H 1 7.243 0.020 . 2 . . . . 81 GLN HE22 . 17066 1 887 . 1 1 82 82 GLN HG2 H 1 2.328 0.020 . 2 . . . . 81 GLN HG2 . 17066 1 888 . 1 1 82 82 GLN HG3 H 1 2.660 0.020 . 2 . . . . 81 GLN HG3 . 17066 1 889 . 1 1 82 82 GLN C C 13 179.635 0.400 . 1 . . . . 81 GLN C . 17066 1 890 . 1 1 82 82 GLN CA C 13 59.189 0.400 . 1 . . . . 81 GLN CA . 17066 1 891 . 1 1 82 82 GLN CB C 13 29.383 0.400 . 1 . . . . 81 GLN CB . 17066 1 892 . 1 1 82 82 GLN CG C 13 34.695 0.400 . 1 . . . . 81 GLN CG . 17066 1 893 . 1 1 82 82 GLN N N 15 118.468 0.400 . 1 . . . . 81 GLN N . 17066 1 894 . 1 1 82 82 GLN NE2 N 15 111.029 0.400 . 1 . . . . 81 GLN NE2 . 17066 1 895 . 1 1 83 83 ILE H H 1 7.556 0.020 . 1 . . . . 82 ILE H . 17066 1 896 . 1 1 83 83 ILE HA H 1 3.350 0.020 . 1 . . . . 82 ILE HA . 17066 1 897 . 1 1 83 83 ILE HB H 1 1.915 0.020 . 1 . . . . 82 ILE HB . 17066 1 898 . 1 1 83 83 ILE HD11 H 1 0.827 0.020 . 1 . . . . 82 ILE HD1 . 17066 1 899 . 1 1 83 83 ILE HD12 H 1 0.827 0.020 . 1 . . . . 82 ILE HD1 . 17066 1 900 . 1 1 83 83 ILE HD13 H 1 0.827 0.020 . 1 . . . . 82 ILE HD1 . 17066 1 901 . 1 1 83 83 ILE HG12 H 1 0.562 0.020 . 2 . . . . 82 ILE HG12 . 17066 1 902 . 1 1 83 83 ILE HG13 H 1 1.791 0.020 . 2 . . . . 82 ILE HG13 . 17066 1 903 . 1 1 83 83 ILE HG21 H 1 0.697 0.020 . 1 . . . . 82 ILE HG2 . 17066 1 904 . 1 1 83 83 ILE HG22 H 1 0.697 0.020 . 1 . . . . 82 ILE HG2 . 17066 1 905 . 1 1 83 83 ILE HG23 H 1 0.697 0.020 . 1 . . . . 82 ILE HG2 . 17066 1 906 . 1 1 83 83 ILE C C 13 176.257 0.400 . 1 . . . . 82 ILE C . 17066 1 907 . 1 1 83 83 ILE CA C 13 66.276 0.400 . 1 . . . . 82 ILE CA . 17066 1 908 . 1 1 83 83 ILE CB C 13 37.684 0.400 . 1 . . . . 82 ILE CB . 17066 1 909 . 1 1 83 83 ILE CD1 C 13 13.445 0.400 . 1 . . . . 82 ILE CD1 . 17066 1 910 . 1 1 83 83 ILE CG1 C 13 30.047 0.400 . 1 . . . . 82 ILE CG1 . 17066 1 911 . 1 1 83 83 ILE CG2 C 13 16.101 0.400 . 1 . . . . 82 ILE CG2 . 17066 1 912 . 1 1 83 83 ILE N N 15 120.875 0.400 . 1 . . . . 82 ILE N . 17066 1 913 . 1 1 84 84 ALA H H 1 7.425 0.020 . 1 . . . . 83 ALA H . 17066 1 914 . 1 1 84 84 ALA HA H 1 3.755 0.020 . 1 . . . . 83 ALA HA . 17066 1 915 . 1 1 84 84 ALA HB1 H 1 1.414 0.020 . 1 . . . . 83 ALA HB . 17066 1 916 . 1 1 84 84 ALA HB2 H 1 1.414 0.020 . 1 . . . . 83 ALA HB . 17066 1 917 . 1 1 84 84 ALA HB3 H 1 1.414 0.020 . 1 . . . . 83 ALA HB . 17066 1 918 . 1 1 84 84 ALA C C 13 180.662 0.400 . 1 . . . . 83 ALA C . 17066 1 919 . 1 1 84 84 ALA CA C 13 55.319 0.400 . 1 . . . . 83 ALA CA . 17066 1 920 . 1 1 84 84 ALA CB C 13 17.429 0.400 . 1 . . . . 83 ALA CB . 17066 1 921 . 1 1 84 84 ALA N N 15 119.316 0.400 . 1 . . . . 83 ALA N . 17066 1 922 . 1 1 85 85 GLN H H 1 8.378 0.020 . 1 . . . . 84 GLN H . 17066 1 923 . 1 1 85 85 GLN HA H 1 3.879 0.020 . 1 . . . . 84 GLN HA . 17066 1 924 . 1 1 85 85 GLN HB2 H 1 1.981 0.020 . 2 . . . . 84 GLN HB2 . 17066 1 925 . 1 1 85 85 GLN HB3 H 1 2.069 0.020 . 2 . . . . 84 GLN HB3 . 17066 1 926 . 1 1 85 85 GLN HE21 H 1 6.795 0.020 . 2 . . . . 84 GLN HE21 . 17066 1 927 . 1 1 85 85 GLN HE22 H 1 7.406 0.020 . 2 . . . . 84 GLN HE22 . 17066 1 928 . 1 1 85 85 GLN HG2 H 1 2.377 0.020 . 2 . . . . 84 GLN HG2 . 17066 1 929 . 1 1 85 85 GLN HG3 H 1 2.417 0.020 . 2 . . . . 84 GLN HG3 . 17066 1 930 . 1 1 85 85 GLN C C 13 179.180 0.400 . 1 . . . . 84 GLN C . 17066 1 931 . 1 1 85 85 GLN CA C 13 57.938 0.400 . 1 . . . . 84 GLN CA . 17066 1 932 . 1 1 85 85 GLN CB C 13 28.402 0.400 . 1 . . . . 84 GLN CB . 17066 1 933 . 1 1 85 85 GLN CG C 13 34.082 0.400 . 1 . . . . 84 GLN CG . 17066 1 934 . 1 1 85 85 GLN N N 15 115.737 0.400 . 1 . . . . 84 GLN N . 17066 1 935 . 1 1 85 85 GLN NE2 N 15 111.904 0.400 . 1 . . . . 84 GLN NE2 . 17066 1 936 . 1 1 86 86 ALA H H 1 7.804 0.020 . 1 . . . . 85 ALA H . 17066 1 937 . 1 1 86 86 ALA HA H 1 4.025 0.020 . 1 . . . . 85 ALA HA . 17066 1 938 . 1 1 86 86 ALA HB1 H 1 1.390 0.020 . 1 . . . . 85 ALA HB . 17066 1 939 . 1 1 86 86 ALA HB2 H 1 1.390 0.020 . 1 . . . . 85 ALA HB . 17066 1 940 . 1 1 86 86 ALA HB3 H 1 1.390 0.020 . 1 . . . . 85 ALA HB . 17066 1 941 . 1 1 86 86 ALA C C 13 179.753 0.400 . 1 . . . . 85 ALA C . 17066 1 942 . 1 1 86 86 ALA CA C 13 54.376 0.400 . 1 . . . . 85 ALA CA . 17066 1 943 . 1 1 86 86 ALA CB C 13 17.828 0.400 . 1 . . . . 85 ALA CB . 17066 1 944 . 1 1 86 86 ALA N N 15 123.717 0.400 . 1 . . . . 85 ALA N . 17066 1 945 . 1 1 87 87 LEU H H 1 7.002 0.020 . 1 . . . . 86 LEU H . 17066 1 946 . 1 1 87 87 LEU HA H 1 3.419 0.020 . 1 . . . . 86 LEU HA . 17066 1 947 . 1 1 87 87 LEU HB2 H 1 1.218 0.020 . 2 . . . . 86 LEU HB2 . 17066 1 948 . 1 1 87 87 LEU HB3 H 1 1.531 0.020 . 2 . . . . 86 LEU HB3 . 17066 1 949 . 1 1 87 87 LEU HD11 H 1 0.531 0.020 . 2 . . . . 86 LEU HD1 . 17066 1 950 . 1 1 87 87 LEU HD12 H 1 0.531 0.020 . 2 . . . . 86 LEU HD1 . 17066 1 951 . 1 1 87 87 LEU HD13 H 1 0.531 0.020 . 2 . . . . 86 LEU HD1 . 17066 1 952 . 1 1 87 87 LEU HD21 H 1 -0.311 0.020 . 2 . . . . 86 LEU HD2 . 17066 1 953 . 1 1 87 87 LEU HD22 H 1 -0.311 0.020 . 2 . . . . 86 LEU HD2 . 17066 1 954 . 1 1 87 87 LEU HD23 H 1 -0.311 0.020 . 2 . . . . 86 LEU HD2 . 17066 1 955 . 1 1 87 87 LEU HG H 1 1.544 0.020 . 1 . . . . 86 LEU HG . 17066 1 956 . 1 1 87 87 LEU C C 13 177.284 0.400 . 1 . . . . 86 LEU C . 17066 1 957 . 1 1 87 87 LEU CA C 13 55.409 0.400 . 1 . . . . 86 LEU CA . 17066 1 958 . 1 1 87 87 LEU CB C 13 40.340 0.400 . 1 . . . . 86 LEU CB . 17066 1 959 . 1 1 87 87 LEU CD1 C 13 27.390 0.400 . 1 . . . . 86 LEU CD1 . 17066 1 960 . 1 1 87 87 LEU CD2 C 13 21.082 0.400 . 1 . . . . 86 LEU CD2 . 17066 1 961 . 1 1 87 87 LEU CG C 13 25.398 0.400 . 1 . . . . 86 LEU CG . 17066 1 962 . 1 1 87 87 LEU N N 15 114.748 0.400 . 1 . . . . 86 LEU N . 17066 1 963 . 1 1 88 88 LEU H H 1 7.291 0.020 . 1 . . . . 87 LEU H . 17066 1 964 . 1 1 88 88 LEU HA H 1 4.362 0.020 . 1 . . . . 87 LEU HA . 17066 1 965 . 1 1 88 88 LEU HB2 H 1 1.630 0.020 . 2 . . . . 87 LEU HB2 . 17066 1 966 . 1 1 88 88 LEU HB3 H 1 1.730 0.020 . 2 . . . . 87 LEU HB3 . 17066 1 967 . 1 1 88 88 LEU HD11 H 1 0.809 0.020 . 2 . . . . 87 LEU HD1 . 17066 1 968 . 1 1 88 88 LEU HD12 H 1 0.809 0.020 . 2 . . . . 87 LEU HD1 . 17066 1 969 . 1 1 88 88 LEU HD13 H 1 0.809 0.020 . 2 . . . . 87 LEU HD1 . 17066 1 970 . 1 1 88 88 LEU HD21 H 1 0.847 0.020 . 2 . . . . 87 LEU HD2 . 17066 1 971 . 1 1 88 88 LEU HD22 H 1 0.847 0.020 . 2 . . . . 87 LEU HD2 . 17066 1 972 . 1 1 88 88 LEU HD23 H 1 0.847 0.020 . 2 . . . . 87 LEU HD2 . 17066 1 973 . 1 1 88 88 LEU HG H 1 1.659 0.020 . 1 . . . . 87 LEU HG . 17066 1 974 . 1 1 88 88 LEU C C 13 178.212 0.400 . 1 . . . . 87 LEU C . 17066 1 975 . 1 1 88 88 LEU CA C 13 54.950 0.400 . 1 . . . . 87 LEU CA . 17066 1 976 . 1 1 88 88 LEU CB C 13 42.073 0.400 . 1 . . . . 87 LEU CB . 17066 1 977 . 1 1 88 88 LEU CD1 C 13 22.742 0.400 . 1 . . . . 87 LEU CD1 . 17066 1 978 . 1 1 88 88 LEU CD2 C 13 25.066 0.400 . 1 . . . . 87 LEU CD2 . 17066 1 979 . 1 1 88 88 LEU CG C 13 26.394 0.400 . 1 . . . . 87 LEU CG . 17066 1 980 . 1 1 88 88 LEU N N 15 117.008 0.400 . 1 . . . . 87 LEU N . 17066 1 981 . 1 1 89 89 GLY H H 1 7.550 0.020 . 1 . . . . 88 GLY H . 17066 1 982 . 1 1 89 89 GLY HA2 H 1 4.496 0.020 . 2 . . . . 88 GLY HA2 . 17066 1 983 . 1 1 89 89 GLY HA3 H 1 3.725 0.020 . 2 . . . . 88 GLY HA3 . 17066 1 984 . 1 1 89 89 GLY C C 13 172.878 0.400 . 1 . . . . 88 GLY C . 17066 1 985 . 1 1 89 89 GLY CA C 13 44.324 0.400 . 1 . . . . 88 GLY CA . 17066 1 986 . 1 1 89 89 GLY N N 15 107.528 0.400 . 1 . . . . 88 GLY N . 17066 1 987 . 1 1 90 90 ALA H H 1 8.165 0.020 . 1 . . . . 89 ALA H . 17066 1 988 . 1 1 90 90 ALA HA H 1 4.452 0.020 . 1 . . . . 89 ALA HA . 17066 1 989 . 1 1 90 90 ALA HB1 H 1 1.302 0.020 . 1 . . . . 89 ALA HB . 17066 1 990 . 1 1 90 90 ALA HB2 H 1 1.302 0.020 . 1 . . . . 89 ALA HB . 17066 1 991 . 1 1 90 90 ALA HB3 H 1 1.302 0.020 . 1 . . . . 89 ALA HB . 17066 1 992 . 1 1 90 90 ALA C C 13 175.723 0.400 . 1 . . . . 89 ALA C . 17066 1 993 . 1 1 90 90 ALA CA C 13 50.965 0.400 . 1 . . . . 89 ALA CA . 17066 1 994 . 1 1 90 90 ALA CB C 13 19.421 0.400 . 1 . . . . 89 ALA CB . 17066 1 995 . 1 1 90 90 ALA N N 15 119.999 0.400 . 1 . . . . 89 ALA N . 17066 1 996 . 1 1 91 91 GLU H H 1 7.973 0.020 . 1 . . . . 90 GLU H . 17066 1 997 . 1 1 91 91 GLU HA H 1 4.656 0.020 . 1 . . . . 90 GLU HA . 17066 1 998 . 1 1 91 91 GLU HB2 H 1 1.745 0.020 . 2 . . . . 90 GLU HB2 . 17066 1 999 . 1 1 91 91 GLU HB3 H 1 2.008 0.020 . 2 . . . . 90 GLU HB3 . 17066 1 1000 . 1 1 91 91 GLU HG2 H 1 2.191 0.020 . 2 . . . . 90 GLU HG2 . 17066 1 1001 . 1 1 91 91 GLU HG3 H 1 2.191 0.020 . 2 . . . . 90 GLU HG3 . 17066 1 1002 . 1 1 91 91 GLU C C 13 175.071 0.400 . 1 . . . . 90 GLU C . 17066 1 1003 . 1 1 91 91 GLU CA C 13 54.286 0.400 . 1 . . . . 90 GLU CA . 17066 1 1004 . 1 1 91 91 GLU CB C 13 33.367 0.400 . 1 . . . . 90 GLU CB . 17066 1 1005 . 1 1 91 91 GLU CG C 13 36.023 0.400 . 1 . . . . 90 GLU CG . 17066 1 1006 . 1 1 91 91 GLU N N 15 117.811 0.400 . 1 . . . . 90 GLU N . 17066 1 1007 . 1 1 92 92 GLU H H 1 8.635 0.020 . 1 . . . . 91 GLU H . 17066 1 1008 . 1 1 92 92 GLU HA H 1 5.019 0.020 . 1 . . . . 91 GLU HA . 17066 1 1009 . 1 1 92 92 GLU HB2 H 1 1.993 0.020 . 2 . . . . 91 GLU HB2 . 17066 1 1010 . 1 1 92 92 GLU HB3 H 1 2.024 0.020 . 2 . . . . 91 GLU HB3 . 17066 1 1011 . 1 1 92 92 GLU HG2 H 1 2.261 0.020 . 2 . . . . 91 GLU HG2 . 17066 1 1012 . 1 1 92 92 GLU HG3 H 1 2.494 0.020 . 2 . . . . 91 GLU HG3 . 17066 1 1013 . 1 1 92 92 GLU C C 13 176.652 0.400 . 1 . . . . 91 GLU C . 17066 1 1014 . 1 1 92 92 GLU CA C 13 55.946 0.400 . 1 . . . . 91 GLU CA . 17066 1 1015 . 1 1 92 92 GLU CB C 13 29.715 0.400 . 1 . . . . 91 GLU CB . 17066 1 1016 . 1 1 92 92 GLU CG C 13 36.023 0.400 . 1 . . . . 91 GLU CG . 17066 1 1017 . 1 1 92 92 GLU N N 15 123.033 0.400 . 1 . . . . 91 GLU N . 17066 1 1018 . 1 1 93 93 ARG H H 1 8.376 0.020 . 1 . . . . 92 ARG H . 17066 1 1019 . 1 1 93 93 ARG HA H 1 4.647 0.020 . 1 . . . . 92 ARG HA . 17066 1 1020 . 1 1 93 93 ARG HB2 H 1 1.526 0.020 . 2 . . . . 92 ARG HB2 . 17066 1 1021 . 1 1 93 93 ARG HB3 H 1 1.588 0.020 . 2 . . . . 92 ARG HB3 . 17066 1 1022 . 1 1 93 93 ARG HD2 H 1 3.081 0.020 . 2 . . . . 92 ARG HD2 . 17066 1 1023 . 1 1 93 93 ARG HD3 H 1 3.307 0.020 . 2 . . . . 92 ARG HD3 . 17066 1 1024 . 1 1 93 93 ARG HG2 H 1 1.553 0.020 . 2 . . . . 92 ARG HG2 . 17066 1 1025 . 1 1 93 93 ARG HG3 H 1 1.553 0.020 . 2 . . . . 92 ARG HG3 . 17066 1 1026 . 1 1 93 93 ARG C C 13 173.333 0.400 . 1 . . . . 92 ARG C . 17066 1 1027 . 1 1 93 93 ARG CA C 13 54.286 0.400 . 1 . . . . 92 ARG CA . 17066 1 1028 . 1 1 93 93 ARG CB C 13 35.027 0.400 . 1 . . . . 92 ARG CB . 17066 1 1029 . 1 1 93 93 ARG CD C 13 42.664 0.400 . 1 . . . . 92 ARG CD . 17066 1 1030 . 1 1 93 93 ARG CG C 13 26.726 0.400 . 1 . . . . 92 ARG CG . 17066 1 1031 . 1 1 93 93 ARG N N 15 125.439 0.400 . 1 . . . . 92 ARG N . 17066 1 1032 . 1 1 93 93 ARG NE N 15 112.779 0.400 . 1 . . . . 92 ARG NE . 17066 1 1033 . 1 1 94 94 LYS H H 1 8.363 0.020 . 1 . . . . 93 LYS H . 17066 1 1034 . 1 1 94 94 LYS HA H 1 5.584 0.020 . 1 . . . . 93 LYS HA . 17066 1 1035 . 1 1 94 94 LYS HB2 H 1 1.551 0.020 . 2 . . . . 93 LYS HB2 . 17066 1 1036 . 1 1 94 94 LYS HB3 H 1 1.631 0.020 . 2 . . . . 93 LYS HB3 . 17066 1 1037 . 1 1 94 94 LYS HD2 H 1 1.553 0.020 . 2 . . . . 93 LYS HD2 . 17066 1 1038 . 1 1 94 94 LYS HD3 H 1 1.597 0.020 . 2 . . . . 93 LYS HD3 . 17066 1 1039 . 1 1 94 94 LYS HE2 H 1 2.838 0.020 . 2 . . . . 93 LYS HE2 . 17066 1 1040 . 1 1 94 94 LYS HE3 H 1 2.838 0.020 . 2 . . . . 93 LYS HE3 . 17066 1 1041 . 1 1 94 94 LYS HG2 H 1 1.236 0.020 . 2 . . . . 93 LYS HG2 . 17066 1 1042 . 1 1 94 94 LYS HG3 H 1 1.344 0.020 . 2 . . . . 93 LYS HG3 . 17066 1 1043 . 1 1 94 94 LYS C C 13 176.375 0.400 . 1 . . . . 93 LYS C . 17066 1 1044 . 1 1 94 94 LYS CA C 13 54.912 0.400 . 1 . . . . 93 LYS CA . 17066 1 1045 . 1 1 94 94 LYS CB C 13 35.027 0.400 . 1 . . . . 93 LYS CB . 17066 1 1046 . 1 1 94 94 LYS CD C 13 29.383 0.400 . 1 . . . . 93 LYS CD . 17066 1 1047 . 1 1 94 94 LYS CE C 13 41.336 0.400 . 1 . . . . 93 LYS CE . 17066 1 1048 . 1 1 94 94 LYS CG C 13 25.066 0.400 . 1 . . . . 93 LYS CG . 17066 1 1049 . 1 1 94 94 LYS N N 15 121.939 0.400 . 1 . . . . 93 LYS N . 17066 1 1050 . 1 1 95 95 VAL H H 1 9.084 0.020 . 1 . . . . 94 VAL H . 17066 1 1051 . 1 1 95 95 VAL HA H 1 4.171 0.020 . 1 . . . . 94 VAL HA . 17066 1 1052 . 1 1 95 95 VAL HB H 1 1.582 0.020 . 1 . . . . 94 VAL HB . 17066 1 1053 . 1 1 95 95 VAL HG11 H 1 0.637 0.020 . 2 . . . . 94 VAL HG1 . 17066 1 1054 . 1 1 95 95 VAL HG12 H 1 0.637 0.020 . 2 . . . . 94 VAL HG1 . 17066 1 1055 . 1 1 95 95 VAL HG13 H 1 0.637 0.020 . 2 . . . . 94 VAL HG1 . 17066 1 1056 . 1 1 95 95 VAL HG21 H 1 0.842 0.020 . 2 . . . . 94 VAL HG2 . 17066 1 1057 . 1 1 95 95 VAL HG22 H 1 0.842 0.020 . 2 . . . . 94 VAL HG2 . 17066 1 1058 . 1 1 95 95 VAL HG23 H 1 0.842 0.020 . 2 . . . . 94 VAL HG2 . 17066 1 1059 . 1 1 95 95 VAL C C 13 173.550 0.400 . 1 . . . . 94 VAL C . 17066 1 1060 . 1 1 95 95 VAL CA C 13 61.408 0.400 . 1 . . . . 94 VAL CA . 17066 1 1061 . 1 1 95 95 VAL CB C 13 36.687 0.400 . 1 . . . . 94 VAL CB . 17066 1 1062 . 1 1 95 95 VAL CG1 C 13 20.809 0.400 . 1 . . . . 94 VAL CG1 . 17066 1 1063 . 1 1 95 95 VAL CG2 C 13 21.082 0.400 . 1 . . . . 94 VAL CG2 . 17066 1 1064 . 1 1 95 95 VAL N N 15 124.731 0.400 . 1 . . . . 94 VAL N . 17066 1 1065 . 1 1 96 96 GLU H H 1 8.284 0.020 . 1 . . . . 95 GLU H . 17066 1 1066 . 1 1 96 96 GLU HA H 1 5.218 0.020 . 1 . . . . 95 GLU HA . 17066 1 1067 . 1 1 96 96 GLU HB2 H 1 1.799 0.020 . 2 . . . . 95 GLU HB2 . 17066 1 1068 . 1 1 96 96 GLU HB3 H 1 1.799 0.020 . 2 . . . . 95 GLU HB3 . 17066 1 1069 . 1 1 96 96 GLU HG2 H 1 1.832 0.020 . 2 . . . . 95 GLU HG2 . 17066 1 1070 . 1 1 96 96 GLU HG3 H 1 1.978 0.020 . 2 . . . . 95 GLU HG3 . 17066 1 1071 . 1 1 96 96 GLU C C 13 175.288 0.400 . 1 . . . . 95 GLU C . 17066 1 1072 . 1 1 96 96 GLU CA C 13 55.204 0.400 . 1 . . . . 95 GLU CA . 17066 1 1073 . 1 1 96 96 GLU CB C 13 31.357 0.400 . 1 . . . . 95 GLU CB . 17066 1 1074 . 1 1 96 96 GLU CG C 13 37.684 0.400 . 1 . . . . 95 GLU CG . 17066 1 1075 . 1 1 96 96 GLU N N 15 128.314 0.400 . 1 . . . . 95 GLU N . 17066 1 1076 . 1 1 97 97 ILE H H 1 9.355 0.020 . 1 . . . . 96 ILE H . 17066 1 1077 . 1 1 97 97 ILE HA H 1 4.164 0.020 . 1 . . . . 96 ILE HA . 17066 1 1078 . 1 1 97 97 ILE HB H 1 1.133 0.020 . 1 . . . . 96 ILE HB . 17066 1 1079 . 1 1 97 97 ILE HD11 H 1 0.384 0.020 . 1 . . . . 96 ILE HD1 . 17066 1 1080 . 1 1 97 97 ILE HD12 H 1 0.384 0.020 . 1 . . . . 96 ILE HD1 . 17066 1 1081 . 1 1 97 97 ILE HD13 H 1 0.384 0.020 . 1 . . . . 96 ILE HD1 . 17066 1 1082 . 1 1 97 97 ILE HG12 H 1 0.462 0.020 . 2 . . . . 96 ILE HG12 . 17066 1 1083 . 1 1 97 97 ILE HG13 H 1 1.208 0.020 . 2 . . . . 96 ILE HG13 . 17066 1 1084 . 1 1 97 97 ILE HG21 H 1 -0.241 0.020 . 1 . . . . 96 ILE HG2 . 17066 1 1085 . 1 1 97 97 ILE HG22 H 1 -0.241 0.020 . 1 . . . . 96 ILE HG2 . 17066 1 1086 . 1 1 97 97 ILE HG23 H 1 -0.241 0.020 . 1 . . . . 96 ILE HG2 . 17066 1 1087 . 1 1 97 97 ILE C C 13 170.310 0.400 . 1 . . . . 96 ILE C . 17066 1 1088 . 1 1 97 97 ILE CA C 13 60.207 0.400 . 1 . . . . 96 ILE CA . 17066 1 1089 . 1 1 97 97 ILE CB C 13 42.664 0.400 . 1 . . . . 96 ILE CB . 17066 1 1090 . 1 1 97 97 ILE CD1 C 13 14.441 0.400 . 1 . . . . 96 ILE CD1 . 17066 1 1091 . 1 1 97 97 ILE CG1 C 13 28.386 0.400 . 1 . . . . 96 ILE CG1 . 17066 1 1092 . 1 1 97 97 ILE CG2 C 13 14.441 0.400 . 1 . . . . 96 ILE CG2 . 17066 1 1093 . 1 1 97 97 ILE N N 15 127.438 0.400 . 1 . . . . 96 ILE N . 17066 1 1094 . 1 1 98 98 ALA H H 1 8.110 0.020 . 1 . . . . 97 ALA H . 17066 1 1095 . 1 1 98 98 ALA HA H 1 4.645 0.020 . 1 . . . . 97 ALA HA . 17066 1 1096 . 1 1 98 98 ALA HB1 H 1 0.791 0.020 . 1 . . . . 97 ALA HB . 17066 1 1097 . 1 1 98 98 ALA HB2 H 1 0.791 0.020 . 1 . . . . 97 ALA HB . 17066 1 1098 . 1 1 98 98 ALA HB3 H 1 0.791 0.020 . 1 . . . . 97 ALA HB . 17066 1 1099 . 1 1 98 98 ALA C C 13 174.557 0.400 . 1 . . . . 97 ALA C . 17066 1 1100 . 1 1 98 98 ALA CA C 13 50.633 0.400 . 1 . . . . 97 ALA CA . 17066 1 1101 . 1 1 98 98 ALA CB C 13 18.686 0.400 . 1 . . . . 97 ALA CB . 17066 1 1102 . 1 1 98 98 ALA N N 15 128.970 0.400 . 1 . . . . 97 ALA N . 17066 1 1103 . 1 1 99 99 PHE H H 1 8.301 0.020 . 1 . . . . 98 PHE H . 17066 1 1104 . 1 1 99 99 PHE HA H 1 5.371 0.020 . 1 . . . . 98 PHE HA . 17066 1 1105 . 1 1 99 99 PHE HB2 H 1 1.706 0.020 . 2 . . . . 98 PHE HB2 . 17066 1 1106 . 1 1 99 99 PHE HB3 H 1 2.776 0.020 . 2 . . . . 98 PHE HB3 . 17066 1 1107 . 1 1 99 99 PHE HD2 H 1 7.075 0.020 . 1 . . . . 98 PHE HD2 . 17066 1 1108 . 1 1 99 99 PHE C C 13 173.431 0.400 . 1 . . . . 98 PHE C . 17066 1 1109 . 1 1 99 99 PHE CA C 13 51.629 0.400 . 1 . . . . 98 PHE CA . 17066 1 1110 . 1 1 99 99 PHE CB C 13 45.211 0.400 . 1 . . . . 98 PHE CB . 17066 1 1111 . 1 1 99 99 PHE N N 15 124.157 0.400 . 1 . . . . 98 PHE N . 17066 1 1112 . 1 1 100 100 TYR H H 1 9.278 0.020 . 1 . . . . 99 TYR H . 17066 1 1113 . 1 1 100 100 TYR HA H 1 5.294 0.020 . 1 . . . . 99 TYR HA . 17066 1 1114 . 1 1 100 100 TYR HB2 H 1 2.585 0.020 . 2 . . . . 99 TYR HB2 . 17066 1 1115 . 1 1 100 100 TYR HB3 H 1 2.650 0.020 . 2 . . . . 99 TYR HB3 . 17066 1 1116 . 1 1 100 100 TYR HD2 H 1 7.151 0.020 . 1 . . . . 99 TYR HD2 . 17066 1 1117 . 1 1 100 100 TYR C C 13 177.521 0.400 . 1 . . . . 99 TYR C . 17066 1 1118 . 1 1 100 100 TYR CA C 13 56.610 0.400 . 1 . . . . 99 TYR CA . 17066 1 1119 . 1 1 100 100 TYR CB C 13 40.340 0.400 . 1 . . . . 99 TYR CB . 17066 1 1120 . 1 1 100 100 TYR N N 15 117.155 0.400 . 1 . . . . 99 TYR N . 17066 1 1121 . 1 1 101 101 ARG H H 1 8.991 0.020 . 1 . . . . 100 ARG H . 17066 1 1122 . 1 1 101 101 ARG HA H 1 4.794 0.020 . 1 . . . . 100 ARG HA . 17066 1 1123 . 1 1 101 101 ARG HB2 H 1 1.705 0.020 . 2 . . . . 100 ARG HB2 . 17066 1 1124 . 1 1 101 101 ARG HB3 H 1 1.705 0.020 . 2 . . . . 100 ARG HB3 . 17066 1 1125 . 1 1 101 101 ARG HD2 H 1 2.913 0.020 . 2 . . . . 100 ARG HD2 . 17066 1 1126 . 1 1 101 101 ARG HD3 H 1 3.008 0.020 . 2 . . . . 100 ARG HD3 . 17066 1 1127 . 1 1 101 101 ARG C C 13 178.291 0.400 . 1 . . . . 100 ARG C . 17066 1 1128 . 1 1 101 101 ARG CA C 13 55.614 0.400 . 1 . . . . 100 ARG CA . 17066 1 1129 . 1 1 101 101 ARG CB C 13 31.043 0.400 . 1 . . . . 100 ARG CB . 17066 1 1130 . 1 1 101 101 ARG CD C 13 43.660 0.400 . 1 . . . . 100 ARG CD . 17066 1 1131 . 1 1 101 101 ARG N N 15 119.999 0.400 . 1 . . . . 100 ARG N . 17066 1 1132 . 1 1 101 101 ARG NE N 15 113.873 0.400 . 1 . . . . 100 ARG NE . 17066 1 1133 . 1 1 102 102 LYS H H 1 8.194 0.020 . 1 . . . . 101 LYS H . 17066 1 1134 . 1 1 102 102 LYS HA H 1 3.771 0.020 . 1 . . . . 101 LYS HA . 17066 1 1135 . 1 1 102 102 LYS HB2 H 1 0.319 0.020 . 2 . . . . 101 LYS HB2 . 17066 1 1136 . 1 1 102 102 LYS HB3 H 1 1.298 0.020 . 2 . . . . 101 LYS HB3 . 17066 1 1137 . 1 1 102 102 LYS HD2 H 1 1.053 0.020 . 2 . . . . 101 LYS HD2 . 17066 1 1138 . 1 1 102 102 LYS HD3 H 1 1.295 0.020 . 2 . . . . 101 LYS HD3 . 17066 1 1139 . 1 1 102 102 LYS HE2 H 1 2.559 0.020 . 2 . . . . 101 LYS HE2 . 17066 1 1140 . 1 1 102 102 LYS HE3 H 1 2.604 0.020 . 2 . . . . 101 LYS HE3 . 17066 1 1141 . 1 1 102 102 LYS HG2 H 1 0.915 0.020 . 2 . . . . 101 LYS HG2 . 17066 1 1142 . 1 1 102 102 LYS HG3 H 1 1.175 0.020 . 2 . . . . 101 LYS HG3 . 17066 1 1143 . 1 1 102 102 LYS C C 13 177.442 0.400 . 1 . . . . 101 LYS C . 17066 1 1144 . 1 1 102 102 LYS CA C 13 59.655 0.400 . 1 . . . . 101 LYS CA . 17066 1 1145 . 1 1 102 102 LYS CB C 13 31.707 0.400 . 1 . . . . 101 LYS CB . 17066 1 1146 . 1 1 102 102 LYS CD C 13 29.383 0.400 . 1 . . . . 101 LYS CD . 17066 1 1147 . 1 1 102 102 LYS CE C 13 41.668 0.400 . 1 . . . . 101 LYS CE . 17066 1 1148 . 1 1 102 102 LYS CG C 13 25.066 0.400 . 1 . . . . 101 LYS CG . 17066 1 1149 . 1 1 102 102 LYS N N 15 124.157 0.400 . 1 . . . . 101 LYS N . 17066 1 1150 . 1 1 103 103 ASP H H 1 7.893 0.020 . 1 . . . . 102 ASP H . 17066 1 1151 . 1 1 103 103 ASP HA H 1 4.273 0.020 . 1 . . . . 102 ASP HA . 17066 1 1152 . 1 1 103 103 ASP HB2 H 1 2.550 0.020 . 2 . . . . 102 ASP HB2 . 17066 1 1153 . 1 1 103 103 ASP HB3 H 1 3.033 0.020 . 2 . . . . 102 ASP HB3 . 17066 1 1154 . 1 1 103 103 ASP C C 13 177.225 0.400 . 1 . . . . 102 ASP C . 17066 1 1155 . 1 1 103 103 ASP CA C 13 53.622 0.400 . 1 . . . . 102 ASP CA . 17066 1 1156 . 1 1 103 103 ASP CB C 13 39.531 0.400 . 1 . . . . 102 ASP CB . 17066 1 1157 . 1 1 103 103 ASP N N 15 113.552 0.400 . 1 . . . . 102 ASP N . 17066 1 1158 . 1 1 104 104 GLY H H 1 8.329 0.020 . 1 . . . . 103 GLY H . 17066 1 1159 . 1 1 104 104 GLY HA2 H 1 4.408 0.020 . 2 . . . . 103 GLY HA2 . 17066 1 1160 . 1 1 104 104 GLY HA3 H 1 3.847 0.020 . 2 . . . . 103 GLY HA3 . 17066 1 1161 . 1 1 104 104 GLY C C 13 174.656 0.400 . 1 . . . . 103 GLY C . 17066 1 1162 . 1 1 104 104 GLY CA C 13 44.988 0.400 . 1 . . . . 103 GLY CA . 17066 1 1163 . 1 1 104 104 GLY N N 15 109.497 0.400 . 1 . . . . 103 GLY N . 17066 1 1164 . 1 1 105 105 SER H H 1 8.519 0.020 . 1 . . . . 104 SER H . 17066 1 1165 . 1 1 105 105 SER HA H 1 4.236 0.020 . 1 . . . . 104 SER HA . 17066 1 1166 . 1 1 105 105 SER HB2 H 1 3.951 0.020 . 2 . . . . 104 SER HB2 . 17066 1 1167 . 1 1 105 105 SER HB3 H 1 3.951 0.020 . 2 . . . . 104 SER HB3 . 17066 1 1168 . 1 1 105 105 SER C C 13 172.127 0.400 . 1 . . . . 104 SER C . 17066 1 1169 . 1 1 105 105 SER CA C 13 58.270 0.400 . 1 . . . . 104 SER CA . 17066 1 1170 . 1 1 105 105 SER CB C 13 63.583 0.400 . 1 . . . . 104 SER CB . 17066 1 1171 . 1 1 105 105 SER N N 15 117.811 0.400 . 1 . . . . 104 SER N . 17066 1 1172 . 1 1 106 106 CYS H H 1 8.518 0.020 . 1 . . . . 105 CYS H . 17066 1 1173 . 1 1 106 106 CYS HA H 1 4.822 0.020 . 1 . . . . 105 CYS HA . 17066 1 1174 . 1 1 106 106 CYS HB2 H 1 2.204 0.020 . 2 . . . . 105 CYS HB2 . 17066 1 1175 . 1 1 106 106 CYS HB3 H 1 2.245 0.020 . 2 . . . . 105 CYS HB3 . 17066 1 1176 . 1 1 106 106 CYS C C 13 173.906 0.400 . 1 . . . . 105 CYS C . 17066 1 1177 . 1 1 106 106 CYS CA C 13 56.278 0.400 . 1 . . . . 105 CYS CA . 17066 1 1178 . 1 1 106 106 CYS CB C 13 29.383 0.400 . 1 . . . . 105 CYS CB . 17066 1 1179 . 1 1 106 106 CYS N N 15 121.424 0.400 . 1 . . . . 105 CYS N . 17066 1 1180 . 1 1 107 107 PHE H H 1 9.265 0.020 . 1 . . . . 106 PHE H . 17066 1 1181 . 1 1 107 107 PHE HA H 1 4.962 0.020 . 1 . . . . 106 PHE HA . 17066 1 1182 . 1 1 107 107 PHE HB2 H 1 2.899 0.020 . 2 . . . . 106 PHE HB2 . 17066 1 1183 . 1 1 107 107 PHE HB3 H 1 2.969 0.020 . 2 . . . . 106 PHE HB3 . 17066 1 1184 . 1 1 107 107 PHE HD2 H 1 6.966 0.020 . 1 . . . . 106 PHE HD2 . 17066 1 1185 . 1 1 107 107 PHE C C 13 171.574 0.400 . 1 . . . . 106 PHE C . 17066 1 1186 . 1 1 107 107 PHE CA C 13 54.984 0.400 . 1 . . . . 106 PHE CA . 17066 1 1187 . 1 1 107 107 PHE CB C 13 41.345 0.400 . 1 . . . . 106 PHE CB . 17066 1 1188 . 1 1 107 107 PHE N N 15 127.129 0.400 . 1 . . . . 106 PHE N . 17066 1 1189 . 1 1 108 108 LEU H H 1 8.852 0.020 . 1 . . . . 107 LEU H . 17066 1 1190 . 1 1 108 108 LEU HA H 1 4.405 0.020 . 1 . . . . 107 LEU HA . 17066 1 1191 . 1 1 108 108 LEU HB2 H 1 1.711 0.020 . 2 . . . . 107 LEU HB2 . 17066 1 1192 . 1 1 108 108 LEU HB3 H 1 1.306 0.020 . 2 . . . . 107 LEU HB3 . 17066 1 1193 . 1 1 108 108 LEU HD11 H 1 0.702 0.020 . 2 . . . . 107 LEU HD1 . 17066 1 1194 . 1 1 108 108 LEU HD12 H 1 0.702 0.020 . 2 . . . . 107 LEU HD1 . 17066 1 1195 . 1 1 108 108 LEU HD13 H 1 0.702 0.020 . 2 . . . . 107 LEU HD1 . 17066 1 1196 . 1 1 108 108 LEU HD21 H 1 0.676 0.020 . 2 . . . . 107 LEU HD2 . 17066 1 1197 . 1 1 108 108 LEU HD22 H 1 0.676 0.020 . 2 . . . . 107 LEU HD2 . 17066 1 1198 . 1 1 108 108 LEU HD23 H 1 0.676 0.020 . 2 . . . . 107 LEU HD2 . 17066 1 1199 . 1 1 108 108 LEU HG H 1 1.309 0.020 . 1 . . . . 107 LEU HG . 17066 1 1200 . 1 1 108 108 LEU C C 13 175.486 0.400 . 1 . . . . 107 LEU C . 17066 1 1201 . 1 1 108 108 LEU CA C 13 53.954 0.400 . 1 . . . . 107 LEU CA . 17066 1 1202 . 1 1 108 108 LEU CB C 13 42.983 0.400 . 1 . . . . 107 LEU CB . 17066 1 1203 . 1 1 108 108 LEU CD1 C 13 24.734 0.400 . 1 . . . . 107 LEU CD1 . 17066 1 1204 . 1 1 108 108 LEU CD2 C 13 23.074 0.400 . 1 . . . . 107 LEU CD2 . 17066 1 1205 . 1 1 108 108 LEU CG C 13 27.058 0.400 . 1 . . . . 107 LEU CG . 17066 1 1206 . 1 1 108 108 LEU N N 15 123.621 0.400 . 1 . . . . 107 LEU N . 17066 1 1207 . 1 1 109 109 CYS H H 1 9.159 0.020 . 1 . . . . 108 CYS H . 17066 1 1208 . 1 1 109 109 CYS HA H 1 5.447 0.020 . 1 . . . . 108 CYS HA . 17066 1 1209 . 1 1 109 109 CYS HB2 H 1 2.723 0.020 . 2 . . . . 108 CYS HB2 . 17066 1 1210 . 1 1 109 109 CYS HB3 H 1 2.884 0.020 . 2 . . . . 108 CYS HB3 . 17066 1 1211 . 1 1 109 109 CYS C C 13 171.930 0.400 . 1 . . . . 108 CYS C . 17066 1 1212 . 1 1 109 109 CYS CA C 13 56.680 0.400 . 1 . . . . 108 CYS CA . 17066 1 1213 . 1 1 109 109 CYS CB C 13 31.963 0.400 . 1 . . . . 108 CYS CB . 17066 1 1214 . 1 1 109 109 CYS N N 15 126.782 0.400 . 1 . . . . 108 CYS N . 17066 1 1215 . 1 1 110 110 LEU H H 1 9.344 0.020 . 1 . . . . 109 LEU H . 17066 1 1216 . 1 1 110 110 LEU HA H 1 4.889 0.020 . 1 . . . . 109 LEU HA . 17066 1 1217 . 1 1 110 110 LEU HB2 H 1 1.417 0.020 . 2 . . . . 109 LEU HB2 . 17066 1 1218 . 1 1 110 110 LEU HB3 H 1 1.548 0.020 . 2 . . . . 109 LEU HB3 . 17066 1 1219 . 1 1 110 110 LEU HD11 H 1 0.760 0.020 . 2 . . . . 109 LEU HD1 . 17066 1 1220 . 1 1 110 110 LEU HD12 H 1 0.760 0.020 . 2 . . . . 109 LEU HD1 . 17066 1 1221 . 1 1 110 110 LEU HD13 H 1 0.760 0.020 . 2 . . . . 109 LEU HD1 . 17066 1 1222 . 1 1 110 110 LEU HD21 H 1 0.760 0.020 . 2 . . . . 109 LEU HD2 . 17066 1 1223 . 1 1 110 110 LEU HD22 H 1 0.760 0.020 . 2 . . . . 109 LEU HD2 . 17066 1 1224 . 1 1 110 110 LEU HD23 H 1 0.760 0.020 . 2 . . . . 109 LEU HD2 . 17066 1 1225 . 1 1 110 110 LEU HG H 1 1.371 0.020 . 1 . . . . 109 LEU HG . 17066 1 1226 . 1 1 110 110 LEU C C 13 176.000 0.400 . 1 . . . . 109 LEU C . 17066 1 1227 . 1 1 110 110 LEU CA C 13 53.622 0.400 . 1 . . . . 109 LEU CA . 17066 1 1228 . 1 1 110 110 LEU CB C 13 43.278 0.400 . 1 . . . . 109 LEU CB . 17066 1 1229 . 1 1 110 110 LEU CD1 C 13 24.402 0.400 . 1 . . . . 109 LEU CD1 . 17066 1 1230 . 1 1 110 110 LEU CG C 13 27.158 0.400 . 1 . . . . 109 LEU CG . 17066 1 1231 . 1 1 110 110 LEU N N 15 128.314 0.400 . 1 . . . . 109 LEU N . 17066 1 1232 . 1 1 111 111 VAL H H 1 9.291 0.020 . 1 . . . . 110 VAL H . 17066 1 1233 . 1 1 111 111 VAL HA H 1 4.578 0.020 . 1 . . . . 110 VAL HA . 17066 1 1234 . 1 1 111 111 VAL HB H 1 1.796 0.020 . 1 . . . . 110 VAL HB . 17066 1 1235 . 1 1 111 111 VAL HG11 H 1 0.782 0.020 . 2 . . . . 110 VAL HG1 . 17066 1 1236 . 1 1 111 111 VAL HG12 H 1 0.782 0.020 . 2 . . . . 110 VAL HG1 . 17066 1 1237 . 1 1 111 111 VAL HG13 H 1 0.782 0.020 . 2 . . . . 110 VAL HG1 . 17066 1 1238 . 1 1 111 111 VAL HG21 H 1 0.372 0.020 . 2 . . . . 110 VAL HG2 . 17066 1 1239 . 1 1 111 111 VAL HG22 H 1 0.372 0.020 . 2 . . . . 110 VAL HG2 . 17066 1 1240 . 1 1 111 111 VAL HG23 H 1 0.372 0.020 . 2 . . . . 110 VAL HG2 . 17066 1 1241 . 1 1 111 111 VAL C C 13 174.597 0.400 . 1 . . . . 110 VAL C . 17066 1 1242 . 1 1 111 111 VAL CA C 13 60.594 0.400 . 1 . . . . 110 VAL CA . 17066 1 1243 . 1 1 111 111 VAL CB C 13 33.367 0.400 . 1 . . . . 110 VAL CB . 17066 1 1244 . 1 1 111 111 VAL CG1 C 13 23.074 0.400 . 1 . . . . 110 VAL CG1 . 17066 1 1245 . 1 1 111 111 VAL CG2 C 13 20.750 0.400 . 1 . . . . 110 VAL CG2 . 17066 1 1246 . 1 1 111 111 VAL N N 15 129.408 0.400 . 1 . . . . 110 VAL N . 17066 1 1247 . 1 1 112 112 ASP H H 1 8.873 0.020 . 1 . . . . 111 ASP H . 17066 1 1248 . 1 1 112 112 ASP HA H 1 5.235 0.020 . 1 . . . . 111 ASP HA . 17066 1 1249 . 1 1 112 112 ASP HB2 H 1 2.500 0.020 . 2 . . . . 111 ASP HB2 . 17066 1 1250 . 1 1 112 112 ASP HB3 H 1 2.659 0.020 . 2 . . . . 111 ASP HB3 . 17066 1 1251 . 1 1 112 112 ASP C C 13 174.696 0.400 . 1 . . . . 111 ASP C . 17066 1 1252 . 1 1 112 112 ASP CA C 13 52.625 0.400 . 1 . . . . 111 ASP CA . 17066 1 1253 . 1 1 112 112 ASP CB C 13 42.996 0.400 . 1 . . . . 111 ASP CB . 17066 1 1254 . 1 1 112 112 ASP N N 15 127.220 0.400 . 1 . . . . 111 ASP N . 17066 1 1255 . 1 1 113 113 VAL H H 1 9.318 0.020 . 1 . . . . 112 VAL H . 17066 1 1256 . 1 1 113 113 VAL HA H 1 4.281 0.020 . 1 . . . . 112 VAL HA . 17066 1 1257 . 1 1 113 113 VAL HB H 1 2.076 0.020 . 1 . . . . 112 VAL HB . 17066 1 1258 . 1 1 113 113 VAL HG11 H 1 0.626 0.020 . 2 . . . . 112 VAL HG1 . 17066 1 1259 . 1 1 113 113 VAL HG12 H 1 0.626 0.020 . 2 . . . . 112 VAL HG1 . 17066 1 1260 . 1 1 113 113 VAL HG13 H 1 0.626 0.020 . 2 . . . . 112 VAL HG1 . 17066 1 1261 . 1 1 113 113 VAL HG21 H 1 0.694 0.020 . 2 . . . . 112 VAL HG2 . 17066 1 1262 . 1 1 113 113 VAL HG22 H 1 0.694 0.020 . 2 . . . . 112 VAL HG2 . 17066 1 1263 . 1 1 113 113 VAL HG23 H 1 0.694 0.020 . 2 . . . . 112 VAL HG2 . 17066 1 1264 . 1 1 113 113 VAL C C 13 174.893 0.400 . 1 . . . . 112 VAL C . 17066 1 1265 . 1 1 113 113 VAL CA C 13 62.582 0.400 . 1 . . . . 112 VAL CA . 17066 1 1266 . 1 1 113 113 VAL CB C 13 32.131 0.400 . 1 . . . . 112 VAL CB . 17066 1 1267 . 1 1 113 113 VAL CG1 C 13 21.858 0.400 . 1 . . . . 112 VAL CG1 . 17066 1 1268 . 1 1 113 113 VAL CG2 C 13 20.207 0.400 . 1 . . . . 112 VAL CG2 . 17066 1 1269 . 1 1 113 113 VAL N N 15 126.754 0.400 . 1 . . . . 112 VAL N . 17066 1 1270 . 1 1 114 114 VAL H H 1 9.494 0.020 . 1 . . . . 113 VAL H . 17066 1 1271 . 1 1 114 114 VAL HA H 1 4.568 0.020 . 1 . . . . 113 VAL HA . 17066 1 1272 . 1 1 114 114 VAL HB H 1 2.137 0.020 . 1 . . . . 113 VAL HB . 17066 1 1273 . 1 1 114 114 VAL HG11 H 1 0.827 0.020 . 2 . . . . 113 VAL HG1 . 17066 1 1274 . 1 1 114 114 VAL HG12 H 1 0.827 0.020 . 2 . . . . 113 VAL HG1 . 17066 1 1275 . 1 1 114 114 VAL HG13 H 1 0.827 0.020 . 2 . . . . 113 VAL HG1 . 17066 1 1276 . 1 1 114 114 VAL HG21 H 1 0.767 0.020 . 2 . . . . 113 VAL HG2 . 17066 1 1277 . 1 1 114 114 VAL HG22 H 1 0.767 0.020 . 2 . . . . 113 VAL HG2 . 17066 1 1278 . 1 1 114 114 VAL HG23 H 1 0.767 0.020 . 2 . . . . 113 VAL HG2 . 17066 1 1279 . 1 1 114 114 VAL CA C 13 59.598 0.400 . 1 . . . . 113 VAL CA . 17066 1 1280 . 1 1 114 114 VAL CB C 13 34.695 0.400 . 1 . . . . 113 VAL CB . 17066 1 1281 . 1 1 114 114 VAL CG1 C 13 20.750 0.400 . 1 . . . . 113 VAL CG1 . 17066 1 1282 . 1 1 114 114 VAL CG2 C 13 20.418 0.400 . 1 . . . . 113 VAL CG2 . 17066 1 1283 . 1 1 114 114 VAL N N 15 126.688 0.400 . 1 . . . . 113 VAL N . 17066 1 1284 . 1 1 115 115 PRO HA H 1 4.254 0.020 . 1 . . . . 114 PRO HA . 17066 1 1285 . 1 1 115 115 PRO HB2 H 1 1.510 0.020 . 2 . . . . 114 PRO HB2 . 17066 1 1286 . 1 1 115 115 PRO HB3 H 1 1.932 0.020 . 2 . . . . 114 PRO HB3 . 17066 1 1287 . 1 1 115 115 PRO HD2 H 1 3.753 0.020 . 2 . . . . 114 PRO HD2 . 17066 1 1288 . 1 1 115 115 PRO HD3 H 1 3.849 0.020 . 2 . . . . 114 PRO HD3 . 17066 1 1289 . 1 1 115 115 PRO HG2 H 1 1.683 0.020 . 2 . . . . 114 PRO HG2 . 17066 1 1290 . 1 1 115 115 PRO HG3 H 1 1.683 0.020 . 2 . . . . 114 PRO HG3 . 17066 1 1291 . 1 1 115 115 PRO C C 13 175.861 0.400 . 1 . . . . 114 PRO C . 17066 1 1292 . 1 1 115 115 PRO CA C 13 62.372 0.400 . 1 . . . . 114 PRO CA . 17066 1 1293 . 1 1 115 115 PRO CB C 13 32.371 0.400 . 1 . . . . 114 PRO CB . 17066 1 1294 . 1 1 115 115 PRO CD C 13 50.965 0.400 . 1 . . . . 114 PRO CD . 17066 1 1295 . 1 1 115 115 PRO CG C 13 26.726 0.400 . 1 . . . . 114 PRO CG . 17066 1 1296 . 1 1 116 116 VAL H H 1 8.472 0.020 . 1 . . . . 115 VAL H . 17066 1 1297 . 1 1 116 116 VAL HA H 1 4.050 0.020 . 1 . . . . 115 VAL HA . 17066 1 1298 . 1 1 116 116 VAL HB H 1 1.708 0.020 . 1 . . . . 115 VAL HB . 17066 1 1299 . 1 1 116 116 VAL HG11 H 1 0.846 0.020 . 2 . . . . 115 VAL HG1 . 17066 1 1300 . 1 1 116 116 VAL HG12 H 1 0.846 0.020 . 2 . . . . 115 VAL HG1 . 17066 1 1301 . 1 1 116 116 VAL HG13 H 1 0.846 0.020 . 2 . . . . 115 VAL HG1 . 17066 1 1302 . 1 1 116 116 VAL HG21 H 1 0.744 0.020 . 2 . . . . 115 VAL HG2 . 17066 1 1303 . 1 1 116 116 VAL HG22 H 1 0.744 0.020 . 2 . . . . 115 VAL HG2 . 17066 1 1304 . 1 1 116 116 VAL HG23 H 1 0.744 0.020 . 2 . . . . 115 VAL HG2 . 17066 1 1305 . 1 1 116 116 VAL C C 13 174.814 0.400 . 1 . . . . 115 VAL C . 17066 1 1306 . 1 1 116 116 VAL CA C 13 61.992 0.400 . 1 . . . . 115 VAL CA . 17066 1 1307 . 1 1 116 116 VAL CB C 13 33.035 0.400 . 1 . . . . 115 VAL CB . 17066 1 1308 . 1 1 116 116 VAL CG1 C 13 20.750 0.400 . 1 . . . . 115 VAL CG1 . 17066 1 1309 . 1 1 116 116 VAL CG2 C 13 20.418 0.400 . 1 . . . . 115 VAL CG2 . 17066 1 1310 . 1 1 116 116 VAL N N 15 124.137 0.400 . 1 . . . . 115 VAL N . 17066 1 1311 . 1 1 117 117 LYS H H 1 8.560 0.020 . 1 . . . . 116 LYS H . 17066 1 1312 . 1 1 117 117 LYS HA H 1 5.247 0.020 . 1 . . . . 116 LYS HA . 17066 1 1313 . 1 1 117 117 LYS HB2 H 1 1.560 0.020 . 2 . . . . 116 LYS HB2 . 17066 1 1314 . 1 1 117 117 LYS HB3 H 1 1.560 0.020 . 2 . . . . 116 LYS HB3 . 17066 1 1315 . 1 1 117 117 LYS HD2 H 1 1.539 0.020 . 2 . . . . 116 LYS HD2 . 17066 1 1316 . 1 1 117 117 LYS HD3 H 1 1.539 0.020 . 2 . . . . 116 LYS HD3 . 17066 1 1317 . 1 1 117 117 LYS HE2 H 1 2.769 0.020 . 2 . . . . 116 LYS HE2 . 17066 1 1318 . 1 1 117 117 LYS HE3 H 1 2.797 0.020 . 2 . . . . 116 LYS HE3 . 17066 1 1319 . 1 1 117 117 LYS HG2 H 1 0.940 0.020 . 2 . . . . 116 LYS HG2 . 17066 1 1320 . 1 1 117 117 LYS HG3 H 1 1.092 0.020 . 2 . . . . 116 LYS HG3 . 17066 1 1321 . 1 1 117 117 LYS C C 13 176.908 0.400 . 1 . . . . 116 LYS C . 17066 1 1322 . 1 1 117 117 LYS CA C 13 54.286 0.400 . 1 . . . . 116 LYS CA . 17066 1 1323 . 1 1 117 117 LYS CB C 13 35.729 0.400 . 1 . . . . 116 LYS CB . 17066 1 1324 . 1 1 117 117 LYS CD C 13 29.383 0.400 . 1 . . . . 116 LYS CD . 17066 1 1325 . 1 1 117 117 LYS CE C 13 42.000 0.400 . 1 . . . . 116 LYS CE . 17066 1 1326 . 1 1 117 117 LYS CG C 13 26.062 0.400 . 1 . . . . 116 LYS CG . 17066 1 1327 . 1 1 117 117 LYS N N 15 126.563 0.400 . 1 . . . . 116 LYS N . 17066 1 1328 . 1 1 118 118 ASN H H 1 8.426 0.020 . 1 . . . . 117 ASN H . 17066 1 1329 . 1 1 118 118 ASN HA H 1 4.655 0.020 . 1 . . . . 117 ASN HA . 17066 1 1330 . 1 1 118 118 ASN HB2 H 1 3.400 0.020 . 2 . . . . 117 ASN HB2 . 17066 1 1331 . 1 1 118 118 ASN HB3 H 1 2.619 0.020 . 2 . . . . 117 ASN HB3 . 17066 1 1332 . 1 1 118 118 ASN HD21 H 1 7.309 0.020 . 2 . . . . 117 ASN HD21 . 17066 1 1333 . 1 1 118 118 ASN HD22 H 1 7.551 0.020 . 2 . . . . 117 ASN HD22 . 17066 1 1334 . 1 1 118 118 ASN C C 13 177.560 0.400 . 1 . . . . 117 ASN C . 17066 1 1335 . 1 1 118 118 ASN CA C 13 50.301 0.400 . 1 . . . . 117 ASN CA . 17066 1 1336 . 1 1 118 118 ASN CB C 13 38.744 0.400 . 1 . . . . 117 ASN CB . 17066 1 1337 . 1 1 118 118 ASN N N 15 117.712 0.400 . 1 . . . . 117 ASN N . 17066 1 1338 . 1 1 118 118 ASN ND2 N 15 111.685 0.400 . 1 . . . . 117 ASN ND2 . 17066 1 1339 . 1 1 119 119 GLU H H 1 9.120 0.020 . 1 . . . . 118 GLU H . 17066 1 1340 . 1 1 119 119 GLU HA H 1 3.984 0.020 . 1 . . . . 118 GLU HA . 17066 1 1341 . 1 1 119 119 GLU HB2 H 1 1.942 0.020 . 2 . . . . 118 GLU HB2 . 17066 1 1342 . 1 1 119 119 GLU HB3 H 1 2.009 0.020 . 2 . . . . 118 GLU HB3 . 17066 1 1343 . 1 1 119 119 GLU HG2 H 1 2.266 0.020 . 2 . . . . 118 GLU HG2 . 17066 1 1344 . 1 1 119 119 GLU HG3 H 1 2.266 0.020 . 2 . . . . 118 GLU HG3 . 17066 1 1345 . 1 1 119 119 GLU C C 13 176.869 0.400 . 1 . . . . 118 GLU C . 17066 1 1346 . 1 1 119 119 GLU CA C 13 59.598 0.400 . 1 . . . . 118 GLU CA . 17066 1 1347 . 1 1 119 119 GLU CB C 13 28.856 0.400 . 1 . . . . 118 GLU CB . 17066 1 1348 . 1 1 119 119 GLU CG C 13 36.209 0.400 . 1 . . . . 118 GLU CG . 17066 1 1349 . 1 1 119 119 GLU N N 15 119.022 0.400 . 1 . . . . 118 GLU N . 17066 1 1350 . 1 1 120 120 ASP H H 1 7.364 0.020 . 1 . . . . 119 ASP H . 17066 1 1351 . 1 1 120 120 ASP HA H 1 4.666 0.020 . 1 . . . . 119 ASP HA . 17066 1 1352 . 1 1 120 120 ASP HB2 H 1 2.506 0.020 . 2 . . . . 119 ASP HB2 . 17066 1 1353 . 1 1 120 120 ASP HB3 H 1 2.779 0.020 . 2 . . . . 119 ASP HB3 . 17066 1 1354 . 1 1 120 120 ASP C C 13 176.513 0.400 . 1 . . . . 119 ASP C . 17066 1 1355 . 1 1 120 120 ASP CA C 13 54.286 0.400 . 1 . . . . 119 ASP CA . 17066 1 1356 . 1 1 120 120 ASP CB C 13 41.363 0.400 . 1 . . . . 119 ASP CB . 17066 1 1357 . 1 1 120 120 ASP N N 15 116.831 0.400 . 1 . . . . 119 ASP N . 17066 1 1358 . 1 1 121 121 GLY H H 1 7.998 0.020 . 1 . . . . 120 GLY H . 17066 1 1359 . 1 1 121 121 GLY HA2 H 1 3.660 0.020 . 2 . . . . 120 GLY HA2 . 17066 1 1360 . 1 1 121 121 GLY HA3 H 1 4.230 0.020 . 2 . . . . 120 GLY HA3 . 17066 1 1361 . 1 1 121 121 GLY C C 13 173.017 0.400 . 1 . . . . 120 GLY C . 17066 1 1362 . 1 1 121 121 GLY CA C 13 44.988 0.400 . 1 . . . . 120 GLY CA . 17066 1 1363 . 1 1 121 121 GLY N N 15 107.435 0.400 . 1 . . . . 120 GLY N . 17066 1 1364 . 1 1 122 122 ALA H H 1 7.724 0.020 . 1 . . . . 121 ALA H . 17066 1 1365 . 1 1 122 122 ALA HA H 1 4.303 0.020 . 1 . . . . 121 ALA HA . 17066 1 1366 . 1 1 122 122 ALA HB1 H 1 1.180 0.020 . 1 . . . . 121 ALA HB . 17066 1 1367 . 1 1 122 122 ALA HB2 H 1 1.180 0.020 . 1 . . . . 121 ALA HB . 17066 1 1368 . 1 1 122 122 ALA HB3 H 1 1.180 0.020 . 1 . . . . 121 ALA HB . 17066 1 1369 . 1 1 122 122 ALA C C 13 177.047 0.400 . 1 . . . . 121 ALA C . 17066 1 1370 . 1 1 122 122 ALA CA C 13 50.941 0.400 . 1 . . . . 121 ALA CA . 17066 1 1371 . 1 1 122 122 ALA CB C 13 19.198 0.400 . 1 . . . . 121 ALA CB . 17066 1 1372 . 1 1 122 122 ALA N N 15 123.848 0.400 . 1 . . . . 121 ALA N . 17066 1 1373 . 1 1 123 123 VAL H H 1 8.602 0.020 . 1 . . . . 122 VAL H . 17066 1 1374 . 1 1 123 123 VAL HA H 1 3.732 0.020 . 1 . . . . 122 VAL HA . 17066 1 1375 . 1 1 123 123 VAL HB H 1 1.808 0.020 . 1 . . . . 122 VAL HB . 17066 1 1376 . 1 1 123 123 VAL HG11 H 1 0.798 0.020 . 2 . . . . 122 VAL HG1 . 17066 1 1377 . 1 1 123 123 VAL HG12 H 1 0.798 0.020 . 2 . . . . 122 VAL HG1 . 17066 1 1378 . 1 1 123 123 VAL HG13 H 1 0.798 0.020 . 2 . . . . 122 VAL HG1 . 17066 1 1379 . 1 1 123 123 VAL HG21 H 1 0.255 0.020 . 2 . . . . 122 VAL HG2 . 17066 1 1380 . 1 1 123 123 VAL HG22 H 1 0.255 0.020 . 2 . . . . 122 VAL HG2 . 17066 1 1381 . 1 1 123 123 VAL HG23 H 1 0.255 0.020 . 2 . . . . 122 VAL HG2 . 17066 1 1382 . 1 1 123 123 VAL C C 13 176.276 0.400 . 1 . . . . 122 VAL C . 17066 1 1383 . 1 1 123 123 VAL CA C 13 63.583 0.400 . 1 . . . . 122 VAL CA . 17066 1 1384 . 1 1 123 123 VAL CB C 13 31.043 0.400 . 1 . . . . 122 VAL CB . 17066 1 1385 . 1 1 123 123 VAL CG1 C 13 22.078 0.400 . 1 . . . . 122 VAL CG1 . 17066 1 1386 . 1 1 123 123 VAL CG2 C 13 21.746 0.400 . 1 . . . . 122 VAL CG2 . 17066 1 1387 . 1 1 123 123 VAL N N 15 122.022 0.400 . 1 . . . . 122 VAL N . 17066 1 1388 . 1 1 124 124 ILE H H 1 8.576 0.020 . 1 . . . . 123 ILE H . 17066 1 1389 . 1 1 124 124 ILE HA H 1 4.413 0.020 . 1 . . . . 123 ILE HA . 17066 1 1390 . 1 1 124 124 ILE HB H 1 1.794 0.020 . 1 . . . . 123 ILE HB . 17066 1 1391 . 1 1 124 124 ILE HD11 H 1 0.598 0.020 . 1 . . . . 123 ILE HD1 . 17066 1 1392 . 1 1 124 124 ILE HD12 H 1 0.598 0.020 . 1 . . . . 123 ILE HD1 . 17066 1 1393 . 1 1 124 124 ILE HD13 H 1 0.598 0.020 . 1 . . . . 123 ILE HD1 . 17066 1 1394 . 1 1 124 124 ILE HG12 H 1 0.956 0.020 . 2 . . . . 123 ILE HG12 . 17066 1 1395 . 1 1 124 124 ILE HG13 H 1 1.205 0.020 . 2 . . . . 123 ILE HG13 . 17066 1 1396 . 1 1 124 124 ILE HG21 H 1 0.794 0.020 . 1 . . . . 123 ILE HG2 . 17066 1 1397 . 1 1 124 124 ILE HG22 H 1 0.794 0.020 . 1 . . . . 123 ILE HG2 . 17066 1 1398 . 1 1 124 124 ILE HG23 H 1 0.794 0.020 . 1 . . . . 123 ILE HG2 . 17066 1 1399 . 1 1 124 124 ILE C C 13 176.434 0.400 . 1 . . . . 123 ILE C . 17066 1 1400 . 1 1 124 124 ILE CA C 13 61.258 0.400 . 1 . . . . 123 ILE CA . 17066 1 1401 . 1 1 124 124 ILE CB C 13 39.883 0.400 . 1 . . . . 123 ILE CB . 17066 1 1402 . 1 1 124 124 ILE CD1 C 13 13.445 0.400 . 1 . . . . 123 ILE CD1 . 17066 1 1403 . 1 1 124 124 ILE CG1 C 13 26.062 0.400 . 1 . . . . 123 ILE CG1 . 17066 1 1404 . 1 1 124 124 ILE CG2 C 13 18.757 0.400 . 1 . . . . 123 ILE CG2 . 17066 1 1405 . 1 1 124 124 ILE N N 15 120.534 0.400 . 1 . . . . 123 ILE N . 17066 1 1406 . 1 1 125 125 MET H H 1 7.819 0.020 . 1 . . . . 124 MET H . 17066 1 1407 . 1 1 125 125 MET HA H 1 5.128 0.020 . 1 . . . . 124 MET HA . 17066 1 1408 . 1 1 125 125 MET HB2 H 1 1.620 0.020 . 2 . . . . 124 MET HB2 . 17066 1 1409 . 1 1 125 125 MET HB3 H 1 2.134 0.020 . 2 . . . . 124 MET HB3 . 17066 1 1410 . 1 1 125 125 MET HE1 H 1 1.909 0.020 . 1 . . . . 124 MET HE . 17066 1 1411 . 1 1 125 125 MET HE2 H 1 1.909 0.020 . 1 . . . . 124 MET HE . 17066 1 1412 . 1 1 125 125 MET HE3 H 1 1.909 0.020 . 1 . . . . 124 MET HE . 17066 1 1413 . 1 1 125 125 MET HG2 H 1 2.595 0.020 . 2 . . . . 124 MET HG2 . 17066 1 1414 . 1 1 125 125 MET HG3 H 1 2.309 0.020 . 2 . . . . 124 MET HG3 . 17066 1 1415 . 1 1 125 125 MET C C 13 172.503 0.400 . 1 . . . . 124 MET C . 17066 1 1416 . 1 1 125 125 MET CA C 13 54.749 0.400 . 1 . . . . 124 MET CA . 17066 1 1417 . 1 1 125 125 MET CB C 13 39.012 0.400 . 1 . . . . 124 MET CB . 17066 1 1418 . 1 1 125 125 MET CE C 13 18.425 0.400 . 1 . . . . 124 MET CE . 17066 1 1419 . 1 1 125 125 MET CG C 13 33.699 0.400 . 1 . . . . 124 MET CG . 17066 1 1420 . 1 1 125 125 MET N N 15 120.256 0.400 . 1 . . . . 124 MET N . 17066 1 1421 . 1 1 126 126 PHE H H 1 8.564 0.020 . 1 . . . . 125 PHE H . 17066 1 1422 . 1 1 126 126 PHE HA H 1 5.127 0.020 . 1 . . . . 125 PHE HA . 17066 1 1423 . 1 1 126 126 PHE HB2 H 1 2.341 0.020 . 2 . . . . 125 PHE HB2 . 17066 1 1424 . 1 1 126 126 PHE HB3 H 1 2.586 0.020 . 2 . . . . 125 PHE HB3 . 17066 1 1425 . 1 1 126 126 PHE HD2 H 1 6.677 0.020 . 1 . . . . 125 PHE HD2 . 17066 1 1426 . 1 1 126 126 PHE C C 13 174.538 0.400 . 1 . . . . 125 PHE C . 17066 1 1427 . 1 1 126 126 PHE CA C 13 57.657 0.400 . 1 . . . . 125 PHE CA . 17066 1 1428 . 1 1 126 126 PHE CB C 13 44.066 0.400 . 1 . . . . 125 PHE CB . 17066 1 1429 . 1 1 126 126 PHE N N 15 114.664 0.400 . 1 . . . . 125 PHE N . 17066 1 1430 . 1 1 127 127 ILE H H 1 9.206 0.020 . 1 . . . . 126 ILE H . 17066 1 1431 . 1 1 127 127 ILE HA H 1 4.760 0.020 . 1 . . . . 126 ILE HA . 17066 1 1432 . 1 1 127 127 ILE HB H 1 1.428 0.020 . 1 . . . . 126 ILE HB . 17066 1 1433 . 1 1 127 127 ILE HD11 H 1 0.296 0.020 . 1 . . . . 126 ILE HD1 . 17066 1 1434 . 1 1 127 127 ILE HD12 H 1 0.296 0.020 . 1 . . . . 126 ILE HD1 . 17066 1 1435 . 1 1 127 127 ILE HD13 H 1 0.296 0.020 . 1 . . . . 126 ILE HD1 . 17066 1 1436 . 1 1 127 127 ILE HG12 H 1 0.622 0.020 . 2 . . . . 126 ILE HG12 . 17066 1 1437 . 1 1 127 127 ILE HG13 H 1 1.115 0.020 . 2 . . . . 126 ILE HG13 . 17066 1 1438 . 1 1 127 127 ILE HG21 H 1 0.345 0.020 . 1 . . . . 126 ILE HG2 . 17066 1 1439 . 1 1 127 127 ILE HG22 H 1 0.345 0.020 . 1 . . . . 126 ILE HG2 . 17066 1 1440 . 1 1 127 127 ILE HG23 H 1 0.345 0.020 . 1 . . . . 126 ILE HG2 . 17066 1 1441 . 1 1 127 127 ILE C C 13 175.111 0.400 . 1 . . . . 126 ILE C . 17066 1 1442 . 1 1 127 127 ILE CA C 13 59.905 0.400 . 1 . . . . 126 ILE CA . 17066 1 1443 . 1 1 127 127 ILE CB C 13 40.008 0.400 . 1 . . . . 126 ILE CB . 17066 1 1444 . 1 1 127 127 ILE CD1 C 13 14.441 0.400 . 1 . . . . 126 ILE CD1 . 17066 1 1445 . 1 1 127 127 ILE CG1 C 13 27.722 0.400 . 1 . . . . 126 ILE CG1 . 17066 1 1446 . 1 1 127 127 ILE CG2 C 13 17.445 0.400 . 1 . . . . 126 ILE CG2 . 17066 1 1447 . 1 1 127 127 ILE N N 15 122.547 0.400 . 1 . . . . 126 ILE N . 17066 1 1448 . 1 1 128 128 LEU H H 1 8.890 0.020 . 1 . . . . 127 LEU H . 17066 1 1449 . 1 1 128 128 LEU HA H 1 5.480 0.020 . 1 . . . . 127 LEU HA . 17066 1 1450 . 1 1 128 128 LEU HB2 H 1 1.153 0.020 . 2 . . . . 127 LEU HB2 . 17066 1 1451 . 1 1 128 128 LEU HB3 H 1 1.459 0.020 . 2 . . . . 127 LEU HB3 . 17066 1 1452 . 1 1 128 128 LEU HD11 H 1 0.738 0.020 . 2 . . . . 127 LEU HD1 . 17066 1 1453 . 1 1 128 128 LEU HD12 H 1 0.738 0.020 . 2 . . . . 127 LEU HD1 . 17066 1 1454 . 1 1 128 128 LEU HD13 H 1 0.738 0.020 . 2 . . . . 127 LEU HD1 . 17066 1 1455 . 1 1 128 128 LEU HD21 H 1 0.748 0.020 . 2 . . . . 127 LEU HD2 . 17066 1 1456 . 1 1 128 128 LEU HD22 H 1 0.748 0.020 . 2 . . . . 127 LEU HD2 . 17066 1 1457 . 1 1 128 128 LEU HD23 H 1 0.748 0.020 . 2 . . . . 127 LEU HD2 . 17066 1 1458 . 1 1 128 128 LEU HG H 1 1.519 0.020 . 1 . . . . 127 LEU HG . 17066 1 1459 . 1 1 128 128 LEU C C 13 174.340 0.400 . 1 . . . . 127 LEU C . 17066 1 1460 . 1 1 128 128 LEU CA C 13 55.895 0.400 . 1 . . . . 127 LEU CA . 17066 1 1461 . 1 1 128 128 LEU CB C 13 42.996 0.400 . 1 . . . . 127 LEU CB . 17066 1 1462 . 1 1 128 128 LEU CD1 C 13 26.726 0.400 . 1 . . . . 127 LEU CD1 . 17066 1 1463 . 1 1 128 128 LEU CD2 C 13 24.734 0.400 . 1 . . . . 127 LEU CD2 . 17066 1 1464 . 1 1 128 128 LEU CG C 13 31.043 0.400 . 1 . . . . 127 LEU CG . 17066 1 1465 . 1 1 128 128 LEU N N 15 127.777 0.400 . 1 . . . . 127 LEU N . 17066 1 1466 . 1 1 129 129 ASN H H 1 8.702 0.020 . 1 . . . . 128 ASN H . 17066 1 1467 . 1 1 129 129 ASN HA H 1 5.528 0.020 . 1 . . . . 128 ASN HA . 17066 1 1468 . 1 1 129 129 ASN HB2 H 1 2.854 0.020 . 2 . . . . 128 ASN HB2 . 17066 1 1469 . 1 1 129 129 ASN HB3 H 1 2.559 0.020 . 2 . . . . 128 ASN HB3 . 17066 1 1470 . 1 1 129 129 ASN HD21 H 1 6.311 0.020 . 2 . . . . 128 ASN HD21 . 17066 1 1471 . 1 1 129 129 ASN HD22 H 1 7.377 0.020 . 2 . . . . 128 ASN HD22 . 17066 1 1472 . 1 1 129 129 ASN C C 13 174.143 0.400 . 1 . . . . 128 ASN C . 17066 1 1473 . 1 1 129 129 ASN CA C 13 51.825 0.400 . 1 . . . . 128 ASN CA . 17066 1 1474 . 1 1 129 129 ASN CB C 13 42.669 0.400 . 1 . . . . 128 ASN CB . 17066 1 1475 . 1 1 129 129 ASN N N 15 120.984 0.400 . 1 . . . . 128 ASN N . 17066 1 1476 . 1 1 129 129 ASN ND2 N 15 111.685 0.400 . 1 . . . . 128 ASN ND2 . 17066 1 1477 . 1 1 130 130 PHE H H 1 9.171 0.020 . 1 . . . . 129 PHE H . 17066 1 1478 . 1 1 130 130 PHE HA H 1 5.040 0.020 . 1 . . . . 129 PHE HA . 17066 1 1479 . 1 1 130 130 PHE HB2 H 1 3.078 0.020 . 2 . . . . 129 PHE HB2 . 17066 1 1480 . 1 1 130 130 PHE HB3 H 1 2.759 0.020 . 2 . . . . 129 PHE HB3 . 17066 1 1481 . 1 1 130 130 PHE HD2 H 1 7.584 0.020 . 1 . . . . 129 PHE HD2 . 17066 1 1482 . 1 1 130 130 PHE C C 13 175.269 0.400 . 1 . . . . 129 PHE C . 17066 1 1483 . 1 1 130 130 PHE CA C 13 57.606 0.400 . 1 . . . . 129 PHE CA . 17066 1 1484 . 1 1 130 130 PHE CB C 13 41.668 0.400 . 1 . . . . 129 PHE CB . 17066 1 1485 . 1 1 130 130 PHE N N 15 122.406 0.400 . 1 . . . . 129 PHE N . 17066 1 1486 . 1 1 131 131 GLU H H 1 8.634 0.020 . 1 . . . . 130 GLU H . 17066 1 1487 . 1 1 131 131 GLU HA H 1 4.860 0.020 . 1 . . . . 130 GLU HA . 17066 1 1488 . 1 1 131 131 GLU HB2 H 1 2.014 0.020 . 2 . . . . 130 GLU HB2 . 17066 1 1489 . 1 1 131 131 GLU HB3 H 1 2.066 0.020 . 2 . . . . 130 GLU HB3 . 17066 1 1490 . 1 1 131 131 GLU HG2 H 1 2.238 0.020 . 2 . . . . 130 GLU HG2 . 17066 1 1491 . 1 1 131 131 GLU HG3 H 1 2.308 0.020 . 2 . . . . 130 GLU HG3 . 17066 1 1492 . 1 1 131 131 GLU C C 13 174.992 0.400 . 1 . . . . 130 GLU C . 17066 1 1493 . 1 1 131 131 GLU CA C 13 54.569 0.400 . 1 . . . . 130 GLU CA . 17066 1 1494 . 1 1 131 131 GLU CB C 13 32.908 0.400 . 1 . . . . 130 GLU CB . 17066 1 1495 . 1 1 131 131 GLU CG C 13 36.023 0.400 . 1 . . . . 130 GLU CG . 17066 1 1496 . 1 1 131 131 GLU N N 15 123.006 0.400 . 1 . . . . 130 GLU N . 17066 1 1497 . 1 1 132 132 VAL H H 1 9.006 0.020 . 1 . . . . 131 VAL H . 17066 1 1498 . 1 1 132 132 VAL HA H 1 4.260 0.020 . 1 . . . . 131 VAL HA . 17066 1 1499 . 1 1 132 132 VAL HB H 1 1.973 0.020 . 1 . . . . 131 VAL HB . 17066 1 1500 . 1 1 132 132 VAL HG11 H 1 0.863 0.020 . 2 . . . . 131 VAL HG1 . 17066 1 1501 . 1 1 132 132 VAL HG12 H 1 0.863 0.020 . 2 . . . . 131 VAL HG1 . 17066 1 1502 . 1 1 132 132 VAL HG13 H 1 0.863 0.020 . 2 . . . . 131 VAL HG1 . 17066 1 1503 . 1 1 132 132 VAL HG21 H 1 0.937 0.020 . 2 . . . . 131 VAL HG2 . 17066 1 1504 . 1 1 132 132 VAL HG22 H 1 0.937 0.020 . 2 . . . . 131 VAL HG2 . 17066 1 1505 . 1 1 132 132 VAL HG23 H 1 0.937 0.020 . 2 . . . . 131 VAL HG2 . 17066 1 1506 . 1 1 132 132 VAL C C 13 176.158 0.400 . 1 . . . . 131 VAL C . 17066 1 1507 . 1 1 132 132 VAL CA C 13 63.915 0.400 . 1 . . . . 131 VAL CA . 17066 1 1508 . 1 1 132 132 VAL CB C 13 32.039 0.400 . 1 . . . . 131 VAL CB . 17066 1 1509 . 1 1 132 132 VAL CG1 C 13 23.074 0.400 . 1 . . . . 131 VAL CG1 . 17066 1 1510 . 1 1 132 132 VAL CG2 C 13 21.348 0.400 . 1 . . . . 131 VAL CG2 . 17066 1 1511 . 1 1 132 132 VAL N N 15 126.126 0.400 . 1 . . . . 131 VAL N . 17066 1 1512 . 1 1 133 133 VAL H H 1 8.846 0.020 . 1 . . . . 132 VAL H . 17066 1 1513 . 1 1 133 133 VAL HA H 1 4.051 0.020 . 1 . . . . 132 VAL HA . 17066 1 1514 . 1 1 133 133 VAL HB H 1 1.747 0.020 . 1 . . . . 132 VAL HB . 17066 1 1515 . 1 1 133 133 VAL HG11 H 1 0.855 0.020 . 2 . . . . 132 VAL HG1 . 17066 1 1516 . 1 1 133 133 VAL HG12 H 1 0.855 0.020 . 2 . . . . 132 VAL HG1 . 17066 1 1517 . 1 1 133 133 VAL HG13 H 1 0.855 0.020 . 2 . . . . 132 VAL HG1 . 17066 1 1518 . 1 1 133 133 VAL HG21 H 1 0.855 0.020 . 2 . . . . 132 VAL HG2 . 17066 1 1519 . 1 1 133 133 VAL HG22 H 1 0.855 0.020 . 2 . . . . 132 VAL HG2 . 17066 1 1520 . 1 1 133 133 VAL HG23 H 1 0.855 0.020 . 2 . . . . 132 VAL HG2 . 17066 1 1521 . 1 1 133 133 VAL C C 13 175.565 0.400 . 1 . . . . 132 VAL C . 17066 1 1522 . 1 1 133 133 VAL CA C 13 62.587 0.400 . 1 . . . . 132 VAL CA . 17066 1 1523 . 1 1 133 133 VAL CB C 13 33.110 0.400 . 1 . . . . 132 VAL CB . 17066 1 1524 . 1 1 133 133 VAL CG1 C 13 21.082 0.400 . 1 . . . . 132 VAL CG1 . 17066 1 1525 . 1 1 133 133 VAL N N 15 129.087 0.400 . 1 . . . . 132 VAL N . 17066 1 1526 . 1 1 134 134 MET H H 1 8.137 0.020 . 1 . . . . 133 MET H . 17066 1 1527 . 1 1 134 134 MET HA H 1 4.531 0.020 . 1 . . . . 133 MET HA . 17066 1 1528 . 1 1 134 134 MET HB2 H 1 2.007 0.020 . 2 . . . . 133 MET HB2 . 17066 1 1529 . 1 1 134 134 MET HB3 H 1 2.084 0.020 . 2 . . . . 133 MET HB3 . 17066 1 1530 . 1 1 134 134 MET HG2 H 1 2.459 0.020 . 2 . . . . 133 MET HG2 . 17066 1 1531 . 1 1 134 134 MET HG3 H 1 2.525 0.020 . 2 . . . . 133 MET HG3 . 17066 1 1532 . 1 1 134 134 MET C C 13 175.249 0.400 . 1 . . . . 133 MET C . 17066 1 1533 . 1 1 134 134 MET CA C 13 54.950 0.400 . 1 . . . . 133 MET CA . 17066 1 1534 . 1 1 134 134 MET CB C 13 33.842 0.400 . 1 . . . . 133 MET CB . 17066 1 1535 . 1 1 134 134 MET CG C 13 31.478 0.400 . 1 . . . . 133 MET CG . 17066 1 1536 . 1 1 134 134 MET N N 15 121.020 0.400 . 1 . . . . 133 MET N . 17066 1 1537 . 1 1 135 135 GLU H H 1 8.580 0.020 . 1 . . . . 134 GLU H . 17066 1 1538 . 1 1 135 135 GLU HA H 1 4.295 0.020 . 1 . . . . 134 GLU HA . 17066 1 1539 . 1 1 135 135 GLU HB2 H 1 1.850 0.020 . 2 . . . . 134 GLU HB2 . 17066 1 1540 . 1 1 135 135 GLU HB3 H 1 2.126 0.020 . 2 . . . . 134 GLU HB3 . 17066 1 1541 . 1 1 135 135 GLU HG2 H 1 2.178 0.020 . 2 . . . . 134 GLU HG2 . 17066 1 1542 . 1 1 135 135 GLU HG3 H 1 2.284 0.020 . 2 . . . . 134 GLU HG3 . 17066 1 1543 . 1 1 135 135 GLU C C 13 175.387 0.400 . 1 . . . . 134 GLU C . 17066 1 1544 . 1 1 135 135 GLU CA C 13 56.603 0.400 . 1 . . . . 134 GLU CA . 17066 1 1545 . 1 1 135 135 GLU CB C 13 30.401 0.400 . 1 . . . . 134 GLU CB . 17066 1 1546 . 1 1 135 135 GLU CG C 13 36.205 0.400 . 1 . . . . 134 GLU CG . 17066 1 1547 . 1 1 135 135 GLU N N 15 123.394 0.400 . 1 . . . . 134 GLU N . 17066 1 1548 . 1 1 136 136 LYS H H 1 8.080 0.020 . 1 . . . . 135 LYS H . 17066 1 1549 . 1 1 136 136 LYS HA H 1 4.171 0.020 . 1 . . . . 135 LYS HA . 17066 1 1550 . 1 1 136 136 LYS HB2 H 1 1.768 0.020 . 2 . . . . 135 LYS HB2 . 17066 1 1551 . 1 1 136 136 LYS HB3 H 1 1.524 0.020 . 2 . . . . 135 LYS HB3 . 17066 1 1552 . 1 1 136 136 LYS HD2 H 1 1.606 0.020 . 2 . . . . 135 LYS HD2 . 17066 1 1553 . 1 1 136 136 LYS HD3 H 1 1.606 0.020 . 2 . . . . 135 LYS HD3 . 17066 1 1554 . 1 1 136 136 LYS HE2 H 1 2.886 0.020 . 2 . . . . 135 LYS HE2 . 17066 1 1555 . 1 1 136 136 LYS HE3 H 1 2.921 0.020 . 2 . . . . 135 LYS HE3 . 17066 1 1556 . 1 1 136 136 LYS HG2 H 1 1.295 0.020 . 2 . . . . 135 LYS HG2 . 17066 1 1557 . 1 1 136 136 LYS HG3 H 1 1.295 0.020 . 2 . . . . 135 LYS HG3 . 17066 1 1558 . 1 1 136 136 LYS C C 13 180.962 0.400 . 1 . . . . 135 LYS C . 17066 1 1559 . 1 1 136 136 LYS CA C 13 56.942 0.400 . 1 . . . . 135 LYS CA . 17066 1 1560 . 1 1 136 136 LYS CB C 13 33.699 0.400 . 1 . . . . 135 LYS CB . 17066 1 1561 . 1 1 136 136 LYS CD C 13 33.035 0.400 . 1 . . . . 135 LYS CD . 17066 1 1562 . 1 1 136 136 LYS CE C 13 41.668 0.400 . 1 . . . . 135 LYS CE . 17066 1 1563 . 1 1 136 136 LYS CG C 13 24.734 0.400 . 1 . . . . 135 LYS CG . 17066 1 1564 . 1 1 136 136 LYS N N 15 127.606 0.400 . 1 . . . . 135 LYS N . 17066 1 stop_ save_