data_15162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15162 _Entry.Title ; Backbone Chemical Shift Assignments of Cholera Toxin Enzymatic Domain (1-167) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-03-06 _Entry.Accession_date 2007-03-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Ravi Ampapathi . S. . 15162 2 'In Hye' Lou . . . 15162 3 Andrea Creath . L. . 15162 4 Steven Blanke . R. . 15162 5 Glen Legge . B. . 15162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 390 15162 '15N chemical shifts' 131 15162 '1H chemical shifts' 131 15162 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2008-07-02 2007-03-06 update BMRB 'complete entry citation' 15162 1 . . 2007-06-20 2007-03-06 original author 'original release' 15162 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18272180 _Citation.Full_citation . _Citation.Title 'Order-disorder-order transitions mediate the activation of cholera toxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 377 _Citation.Journal_issue 3 _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 748 _Citation.Page_last 60 _Citation.Year 2008 _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 Ravi Ampapathi . S. . 15162 1 2 Andrea Creath . L. . 15162 1 3 Dianne Lou . I. . 15162 1 4 John Craft . W. . 15162 1 5 Steven Blanke . R. . 15162 1 6 Glen Legge . B. . 15162 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Activation 15162 1 Cholera 15162 1 Folding 15162 1 NMR 15162 1 'Retro translocation' 15162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15162 _Assembly.ID 1 _Assembly.Name CTA1-T2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18891.8 _Assembly.Enzyme_commission_number 2.4.2.36 _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 CTA1-T2 1 $CTA1-T2 A . yes 'molten globule' no no . . ; Partially Unfolded state in the free enzyme (CTA1-T2). Unfolded regions primarily located at the CTA13 region. Molecule expreiences intermiediate exchange broadening, which was minimized by a C-terminal truncation of the unfolded residues. ; 15162 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1XTC . . X-ray 2.40 'Holo Toxin' 'CT in the AB5 holo toxin form, where the enzyme CTA1 will be in the inactive form.' 15162 1 yes PDB 2A5D . . X-ray 1.80 'CTA1:ARF6-GTP complex' 'Active form of enzymatic domain complex with ARF6-GTP. Active site residues E110/112D mutations to kill the catalytic activity, but structure unaffected.' 15162 1 yes PDB 2A5F . . X-ray 2.02 'CTA1:ARF6-GTP complex with NAD+' . 15162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CTA1-T2 _Entity.Sf_category entity _Entity.Sf_framecode CTA1-T2 _Entity.Entry_ID 15162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CTA1-T2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NDDKLYRADSRPPDEIKQSG GLMPRGQSDYFDRGTQMNIN LYDHARGTQTGFVRHDDGYV STSISLRSAHLVGQTILSGH STYYIYVIATAPNMFNVNDV LGAYSPHPDEQDVSALGGIP YSQIVGWYRVHFGVLDEQLH RNRGYRDRYYSNLDIAPAAD GYGLAGF ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; This is a truncated version(1-167) of Full length CTA1 (1-192), which increases the stability of the construct in solution. ; _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 167 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Cholera Toxin Enzymatic Domain' _Entity.Mutation 'Stop codon insertion after F167.' _Entity.EC_number 2.4.2.36 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18891.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 yes GB VC1457 . "Cholera Enterotoxin Subunit A precursor (Cholera Enterotoxin, A-chain)" . . . . . . . . . . . . . . 15162 1 2 yes SWS 301555 . "NAD(+)--diphthamide ADP-ribosyltransferase" . . . . . . . . . . . . . . 15162 1 3 no PDB 1S5B . "Cholera Holotoxin With An A-Subunit Y30s Mutation Form 3" . . . . . 100.00 240 97.60 98.80 9.50e-114 . . . . 15162 1 4 no PDB 1S5C . "Cholera Holotoxin With An A-Subunit Y30s Mutation, Crystal Form 1" . . . . . 100.00 240 97.60 98.80 9.50e-114 . . . . 15162 1 5 no PDB 1S5D . "Cholera Holotoxin With An A-Subunit Y30s Mutation, Crystal Form 2" . . . . . 100.00 240 97.60 98.80 9.50e-114 . . . . 15162 1 6 no PDB 1S5E . "Cholera Holotoxin, Crystal Form 1" . . . . . 100.00 240 98.20 99.40 9.49e-115 . . . . 15162 1 7 no PDB 1S5F . "Cholera Holotoxin, Crystal Form 2" . . . . . 100.00 240 98.20 99.40 9.49e-115 . . . . 15162 1 8 no PDB 1XTC . "Cholera Toxin" . . . . . 100.00 194 97.01 99.40 7.36e-114 . . . . 15162 1 9 no PDB 2A5D . "Structural Basis For The Activation Of Cholera Toxin By Human Arf6-Gtp" . . . . . 100.00 193 98.20 99.40 3.85e-114 . . . . 15162 1 10 no PDB 2A5F . "Cholera Toxin A1 Subunit Bound To Its Substrate, Nad+, And Its Human Protein Activator, Arf6" . . . . . 100.00 193 98.20 99.40 3.85e-114 . . . . 15162 1 11 no PDB 2A5G . "Cholera Toxin A1 Subunit Bound To Arf6(Q67l)" . . . . . 100.00 193 98.20 99.40 3.85e-114 . . . . 15162 1 12 no DBJ BAA06288 . "cholera toxin [Vibrio cholerae O37]" . . . . . 100.00 258 97.60 99.40 2.09e-114 . . . . 15162 1 13 no DBJ BAA06290 . "cholera toxin [Vibrio cholerae O139]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 14 no DBJ BAG06738 . "cholera toxin A subunit [Vibrio phage CTX]" . . . . . 71.26 192 98.32 99.16 3.26e-77 . . . . 15162 1 15 no DBJ BAG66065 . "cholera toxin A subunit [Vibrio phage CTX]" . . . . . 62.87 178 98.10 99.05 2.39e-66 . . . . 15162 1 16 no DBJ BAI50777 . "cholera enterotoxin subunit A, partial [Vibrio cholerae O1]" . . . . . 71.26 192 98.32 99.16 3.26e-77 . . . . 15162 1 17 no EMBL CAA24995 . "unnamed protein product [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 8.07e-115 . . . . 15162 1 18 no EMBL CAA41590 . "cholera toxin A protein (CTA) [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 19 no EMBL CAA41592 . "cholera toxin A protein (CTA) [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 20 no EMBL CAE11218 . "enterotoxin subunit A [Vibrio cholerae]" . . . . . 100.00 258 97.01 99.40 1.20e-113 . . . . 15162 1 21 no EMBL CRZ40571 . "cholera enterotoxin%2C A subunit [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 22 no GB AAA27514 . "enterotoxin prepeptide, partial [Vibrio cholerae]" . . . . . 100.00 212 98.20 99.40 1.07e-114 . . . . 15162 1 23 no GB AAD51359 . "cholera enterotoxin A-subunit [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 24 no GB AAF94614 . "cholera enterotoxin, A subunit [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 25 no GB AAL09681 . "CtxA [Vibrio phage CTX]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 26 no GB AAL60525 . "CtxA [Vibrio cholerae]" . . . . . 100.00 258 97.60 99.40 2.09e-114 . . . . 15162 1 27 no PRF 1001196A . toxin,cholera . . . . . 100.00 382 98.20 99.40 3.56e-115 . . . . 15162 1 28 no REF NP_231100 . "cholera enterotoxin subunit A [Vibrio cholerae O1 biovar El Tor str. N16961]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 29 no REF WP_001881225 . "enterotoxin [Vibrio cholerae]" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 30 no REF WP_001888508 . "MULTISPECIES: enterotoxin [Vibrio]" . . . . . 100.00 258 97.60 99.40 2.09e-114 . . . . 15162 1 31 no REF WP_001911232 . "enterotoxin [Vibrio cholerae]" . . . . . 100.00 258 97.01 98.80 2.38e-113 . . . . 15162 1 32 no REF WP_005514365 . "enterotoxin [Vibrio mimicus]" . . . . . 100.00 258 97.60 99.40 2.43e-114 . . . . 15162 1 33 no SP P01555 . "RecName: Full=Cholera enterotoxin subunit A; AltName: Full=Cholera enterotoxin, A chain; Contains: RecName: Full=Cholera entero" . . . . . 100.00 258 98.20 99.40 7.56e-115 . . . . 15162 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Vibrio Cholerare Primary virulance factor (ADP-ribosyl transferase)' 15162 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 . ASN . 15162 1 2 . ASP . 15162 1 3 . ASP . 15162 1 4 . LYS . 15162 1 5 . LEU . 15162 1 6 . TYR . 15162 1 7 . ARG . 15162 1 8 . ALA . 15162 1 9 . ASP . 15162 1 10 . SER . 15162 1 11 . ARG . 15162 1 12 . PRO . 15162 1 13 . PRO . 15162 1 14 . ASP . 15162 1 15 . GLU . 15162 1 16 . ILE . 15162 1 17 . LYS . 15162 1 18 . GLN . 15162 1 19 . SER . 15162 1 20 . GLY . 15162 1 21 . GLY . 15162 1 22 . LEU . 15162 1 23 . MET . 15162 1 24 . PRO . 15162 1 25 . ARG . 15162 1 26 . GLY . 15162 1 27 . GLN . 15162 1 28 . SER . 15162 1 29 . ASP . 15162 1 30 . TYR . 15162 1 31 . PHE . 15162 1 32 . ASP . 15162 1 33 . ARG . 15162 1 34 . GLY . 15162 1 35 . THR . 15162 1 36 . GLN . 15162 1 37 . MET . 15162 1 38 . ASN . 15162 1 39 . ILE . 15162 1 40 . ASN . 15162 1 41 . LEU . 15162 1 42 . TYR . 15162 1 43 . ASP . 15162 1 44 . HIS . 15162 1 45 . ALA . 15162 1 46 . ARG . 15162 1 47 . GLY . 15162 1 48 . THR . 15162 1 49 . GLN . 15162 1 50 . THR . 15162 1 51 . GLY . 15162 1 52 . PHE . 15162 1 53 . VAL . 15162 1 54 . ARG . 15162 1 55 . HIS . 15162 1 56 . ASP . 15162 1 57 . ASP . 15162 1 58 . GLY . 15162 1 59 . TYR . 15162 1 60 . VAL . 15162 1 61 . SER . 15162 1 62 . THR . 15162 1 63 . SER . 15162 1 64 . ILE . 15162 1 65 . SER . 15162 1 66 . LEU . 15162 1 67 . ARG . 15162 1 68 . SER . 15162 1 69 . ALA . 15162 1 70 . HIS . 15162 1 71 . LEU . 15162 1 72 . VAL . 15162 1 73 . GLY . 15162 1 74 . GLN . 15162 1 75 . THR . 15162 1 76 . ILE . 15162 1 77 . LEU . 15162 1 78 . SER . 15162 1 79 . GLY . 15162 1 80 . HIS . 15162 1 81 . SER . 15162 1 82 . THR . 15162 1 83 . TYR . 15162 1 84 . TYR . 15162 1 85 . ILE . 15162 1 86 . TYR . 15162 1 87 . VAL . 15162 1 88 . ILE . 15162 1 89 . ALA . 15162 1 90 . THR . 15162 1 91 . ALA . 15162 1 92 . PRO . 15162 1 93 . ASN . 15162 1 94 . MET . 15162 1 95 . PHE . 15162 1 96 . ASN . 15162 1 97 . VAL . 15162 1 98 . ASN . 15162 1 99 . ASP . 15162 1 100 . VAL . 15162 1 101 . LEU . 15162 1 102 . GLY . 15162 1 103 . ALA . 15162 1 104 . TYR . 15162 1 105 . SER . 15162 1 106 . PRO . 15162 1 107 . HIS . 15162 1 108 . PRO . 15162 1 109 . ASP . 15162 1 110 . GLU . 15162 1 111 . GLN . 15162 1 112 . ASP . 15162 1 113 . VAL . 15162 1 114 . SER . 15162 1 115 . ALA . 15162 1 116 . LEU . 15162 1 117 . GLY . 15162 1 118 . GLY . 15162 1 119 . ILE . 15162 1 120 . PRO . 15162 1 121 . TYR . 15162 1 122 . SER . 15162 1 123 . GLN . 15162 1 124 . ILE . 15162 1 125 . VAL . 15162 1 126 . GLY . 15162 1 127 . TRP . 15162 1 128 . TYR . 15162 1 129 . ARG . 15162 1 130 . VAL . 15162 1 131 . HIS . 15162 1 132 . PHE . 15162 1 133 . GLY . 15162 1 134 . VAL . 15162 1 135 . LEU . 15162 1 136 . ASP . 15162 1 137 . GLU . 15162 1 138 . GLN . 15162 1 139 . LEU . 15162 1 140 . HIS . 15162 1 141 . ARG . 15162 1 142 . ASN . 15162 1 143 . ARG . 15162 1 144 . GLY . 15162 1 145 . TYR . 15162 1 146 . ARG . 15162 1 147 . ASP . 15162 1 148 . ARG . 15162 1 149 . TYR . 15162 1 150 . TYR . 15162 1 151 . SER . 15162 1 152 . ASN . 15162 1 153 . LEU . 15162 1 154 . ASP . 15162 1 155 . ILE . 15162 1 156 . ALA . 15162 1 157 . PRO . 15162 1 158 . ALA . 15162 1 159 . ALA . 15162 1 160 . ASP . 15162 1 161 . GLY . 15162 1 162 . TYR . 15162 1 163 . GLY . 15162 1 164 . LEU . 15162 1 165 . ALA . 15162 1 166 . GLY . 15162 1 167 . PHE . 15162 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 . ASN 1 1 15162 1 . ASP 2 2 15162 1 . ASP 3 3 15162 1 . LYS 4 4 15162 1 . LEU 5 5 15162 1 . TYR 6 6 15162 1 . ARG 7 7 15162 1 . ALA 8 8 15162 1 . ASP 9 9 15162 1 . SER 10 10 15162 1 . ARG 11 11 15162 1 . PRO 12 12 15162 1 . PRO 13 13 15162 1 . ASP 14 14 15162 1 . GLU 15 15 15162 1 . ILE 16 16 15162 1 . LYS 17 17 15162 1 . GLN 18 18 15162 1 . SER 19 19 15162 1 . GLY 20 20 15162 1 . GLY 21 21 15162 1 . LEU 22 22 15162 1 . MET 23 23 15162 1 . PRO 24 24 15162 1 . ARG 25 25 15162 1 . GLY 26 26 15162 1 . GLN 27 27 15162 1 . SER 28 28 15162 1 . ASP 29 29 15162 1 . TYR 30 30 15162 1 . PHE 31 31 15162 1 . ASP 32 32 15162 1 . ARG 33 33 15162 1 . GLY 34 34 15162 1 . THR 35 35 15162 1 . GLN 36 36 15162 1 . MET 37 37 15162 1 . ASN 38 38 15162 1 . ILE 39 39 15162 1 . ASN 40 40 15162 1 . LEU 41 41 15162 1 . TYR 42 42 15162 1 . ASP 43 43 15162 1 . HIS 44 44 15162 1 . ALA 45 45 15162 1 . ARG 46 46 15162 1 . GLY 47 47 15162 1 . THR 48 48 15162 1 . GLN 49 49 15162 1 . THR 50 50 15162 1 . GLY 51 51 15162 1 . PHE 52 52 15162 1 . VAL 53 53 15162 1 . ARG 54 54 15162 1 . HIS 55 55 15162 1 . ASP 56 56 15162 1 . ASP 57 57 15162 1 . GLY 58 58 15162 1 . TYR 59 59 15162 1 . VAL 60 60 15162 1 . SER 61 61 15162 1 . THR 62 62 15162 1 . SER 63 63 15162 1 . ILE 64 64 15162 1 . SER 65 65 15162 1 . LEU 66 66 15162 1 . ARG 67 67 15162 1 . SER 68 68 15162 1 . ALA 69 69 15162 1 . HIS 70 70 15162 1 . LEU 71 71 15162 1 . VAL 72 72 15162 1 . GLY 73 73 15162 1 . GLN 74 74 15162 1 . THR 75 75 15162 1 . ILE 76 76 15162 1 . LEU 77 77 15162 1 . SER 78 78 15162 1 . GLY 79 79 15162 1 . HIS 80 80 15162 1 . SER 81 81 15162 1 . THR 82 82 15162 1 . TYR 83 83 15162 1 . TYR 84 84 15162 1 . ILE 85 85 15162 1 . TYR 86 86 15162 1 . VAL 87 87 15162 1 . ILE 88 88 15162 1 . ALA 89 89 15162 1 . THR 90 90 15162 1 . ALA 91 91 15162 1 . PRO 92 92 15162 1 . ASN 93 93 15162 1 . MET 94 94 15162 1 . PHE 95 95 15162 1 . ASN 96 96 15162 1 . VAL 97 97 15162 1 . ASN 98 98 15162 1 . ASP 99 99 15162 1 . VAL 100 100 15162 1 . LEU 101 101 15162 1 . GLY 102 102 15162 1 . ALA 103 103 15162 1 . TYR 104 104 15162 1 . SER 105 105 15162 1 . PRO 106 106 15162 1 . HIS 107 107 15162 1 . PRO 108 108 15162 1 . ASP 109 109 15162 1 . GLU 110 110 15162 1 . GLN 111 111 15162 1 . ASP 112 112 15162 1 . VAL 113 113 15162 1 . SER 114 114 15162 1 . ALA 115 115 15162 1 . LEU 116 116 15162 1 . GLY 117 117 15162 1 . GLY 118 118 15162 1 . ILE 119 119 15162 1 . PRO 120 120 15162 1 . TYR 121 121 15162 1 . SER 122 122 15162 1 . GLN 123 123 15162 1 . ILE 124 124 15162 1 . VAL 125 125 15162 1 . GLY 126 126 15162 1 . TRP 127 127 15162 1 . TYR 128 128 15162 1 . ARG 129 129 15162 1 . VAL 130 130 15162 1 . HIS 131 131 15162 1 . PHE 132 132 15162 1 . GLY 133 133 15162 1 . VAL 134 134 15162 1 . LEU 135 135 15162 1 . ASP 136 136 15162 1 . GLU 137 137 15162 1 . GLN 138 138 15162 1 . LEU 139 139 15162 1 . HIS 140 140 15162 1 . ARG 141 141 15162 1 . ASN 142 142 15162 1 . ARG 143 143 15162 1 . GLY 144 144 15162 1 . TYR 145 145 15162 1 . ARG 146 146 15162 1 . ASP 147 147 15162 1 . ARG 148 148 15162 1 . TYR 149 149 15162 1 . TYR 150 150 15162 1 . SER 151 151 15162 1 . ASN 152 152 15162 1 . LEU 153 153 15162 1 . ASP 154 154 15162 1 . ILE 155 155 15162 1 . ALA 156 156 15162 1 . PRO 157 157 15162 1 . ALA 158 158 15162 1 . ALA 159 159 15162 1 . ASP 160 160 15162 1 . GLY 161 161 15162 1 . TYR 162 162 15162 1 . GLY 163 163 15162 1 . LEU 164 164 15162 1 . ALA 165 165 15162 1 . GLY 166 166 15162 1 . PHE 167 167 15162 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 15162 _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 $CTA1-T2 . 666 organism . 'Vibrio cholerae' 'Vibrio comma' . . Bacteria . Vibrio cholerae . . . . . . . . . . . . . . . . . . . . . 15162 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 15162 _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 $CTA1-T2 . 'recombinant technology' 'Escherichia coli' . . . . . BL21DE3 . . . . . . . . . . . . . . . pET-20(b) . . . ; Recombinant protein was refolded from inclusion bodies. Full length, refolded CTA1 binds its CTA2, ARF6 and NAD+ ligands. HSQC spectra are presented in the published article. ; . . 15162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Sample was stable at higher salts (200mM) and at lower temperatures (288K). Sample required 100% deuteration to acheive concentrationr anges of 0.2 mM required for NMR heteronuclear studies. ; _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '94% H2O/6% 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 CTA1-T2 . . . 1 $CTA1-T2 . . 0.2 . . mM . . . . 15162 1 2 TRIS '[U-99% 2H]' . . . . . . 20 . . mM . . . . 15162 1 3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15162 1 4 D2O '[U-99% 2H]' . . . . . . 6 . . '% v/v' . . . . 15162 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . '% w/v' . . . . 15162 1 6 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15162 1 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 15162 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.2 . pH 15162 1 temperature 288 . K 15162 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15162 _Software.ID 1 _Software.Name SPARKY _Software.Version 3.110 _Software.Details ; Peak picking and analysis software from UCSF. http://www.cgl.ucsf.edu/home/sparky/ ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard 'University of California, San Francisco' sparky@cgl.ucsf.edu 15162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15162 1 'peak picking' 15162 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15162 _Software.ID 2 _Software.Name NMRPipe _Software.Version 'Script Version 2002.044.17.08' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' NIH http://spin.niddk.nih.gov/bax/software 15162 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15162 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 15162 _Software.ID 3 _Software.Name NMRDraw _Software.Version 'Script Version 2002.044.17.08' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' NIH http://spin.niddk.nih.gov/bax/software 15162 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15162 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a cryogenic z-gradient TXI probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15162 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details TXI-probe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 15162 _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 . 800 'Equipped with a cryogenic z-gradient TXI probe' . . 15162 1 2 spectrometer_2 Bruker Avance . 600 TXI-probe . . 15162 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 15162 _Experiment_list.ID 1 _Experiment_list.Details 'All the 2D and 3D experiments were acquired using trosy technique.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15162 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 15162 _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 TSP 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 15162 1 H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 15162 1 N 15 TSP 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 15162 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 15162 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15162 1 2 '3D HNCO' . . . 15162 1 3 '3D HNCA' . . . 15162 1 4 '3D HN(CO)CA' . . . 15162 1 5 '3D HNCACB' . . . 15162 1 6 '3D CBCA(CO)NH' . . . 15162 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY offset' 'amide nitrogens' . . . 15162 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 1 $SPARKY . . 15162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASP C C 13 175.65 0.20 . 1 . . . . 2 ASP C . 15162 1 2 . 1 1 2 2 ASP CA C 13 53.92 0.20 . 1 . . . . 2 ASP CA . 15162 1 3 . 1 1 2 2 ASP CB C 13 40.41 0.20 . 1 . . . . 2 ASP CB . 15162 1 4 . 1 1 3 3 ASP H H 1 8.29 0.02 . 1 . . . . 3 ASP H . 15162 1 5 . 1 1 3 3 ASP C C 13 175.70 0.20 . 1 . . . . 3 ASP C . 15162 1 6 . 1 1 3 3 ASP CA C 13 54.24 0.20 . 1 . . . . 3 ASP CA . 15162 1 7 . 1 1 3 3 ASP CB C 13 40.59 0.20 . 1 . . . . 3 ASP CB . 15162 1 8 . 1 1 3 3 ASP N N 15 121.37 0.20 . 1 . . . . 3 ASP N . 15162 1 9 . 1 1 4 4 LYS H H 1 7.91 0.02 . 1 . . . . 4 LYS H . 15162 1 10 . 1 1 4 4 LYS C C 13 174.97 0.20 . 1 . . . . 4 LYS C . 15162 1 11 . 1 1 4 4 LYS CA C 13 53.99 0.20 . 1 . . . . 4 LYS CA . 15162 1 12 . 1 1 4 4 LYS CB C 13 33.79 0.20 . 1 . . . . 4 LYS CB . 15162 1 13 . 1 1 4 4 LYS N N 15 120.28 0.20 . 1 . . . . 4 LYS N . 15162 1 14 . 1 1 5 5 LEU H H 1 8.59 0.02 . 1 . . . . 5 LEU H . 15162 1 15 . 1 1 5 5 LEU C C 13 175.53 0.20 . 1 . . . . 5 LEU C . 15162 1 16 . 1 1 5 5 LEU CA C 13 52.79 0.20 . 1 . . . . 5 LEU CA . 15162 1 17 . 1 1 5 5 LEU CB C 13 44.63 0.20 . 1 . . . . 5 LEU CB . 15162 1 18 . 1 1 5 5 LEU N N 15 119.55 0.20 . 1 . . . . 5 LEU N . 15162 1 19 . 1 1 6 6 TYR H H 1 8.46 0.02 . 1 . . . . 6 TYR H . 15162 1 20 . 1 1 6 6 TYR C C 13 175.81 0.20 . 1 . . . . 6 TYR C . 15162 1 21 . 1 1 6 6 TYR CA C 13 56.64 0.20 . 1 . . . . 6 TYR CA . 15162 1 22 . 1 1 6 6 TYR CB C 13 42.49 0.20 . 1 . . . . 6 TYR CB . 15162 1 23 . 1 1 6 6 TYR N N 15 116.14 0.20 . 1 . . . . 6 TYR N . 15162 1 24 . 1 1 7 7 ARG H H 1 9.32 0.02 . 1 . . . . 7 ARG H . 15162 1 25 . 1 1 7 7 ARG C C 13 174.88 0.20 . 1 . . . . 7 ARG C . 15162 1 26 . 1 1 7 7 ARG CA C 13 53.90 0.20 . 1 . . . . 7 ARG CA . 15162 1 27 . 1 1 7 7 ARG CB C 13 33.66 0.20 . 1 . . . . 7 ARG CB . 15162 1 28 . 1 1 7 7 ARG N N 15 122.72 0.20 . 1 . . . . 7 ARG N . 15162 1 29 . 1 1 8 8 ALA H H 1 9.40 0.02 . 1 . . . . 8 ALA H . 15162 1 30 . 1 1 8 8 ALA C C 13 176.84 0.20 . 1 . . . . 8 ALA C . 15162 1 31 . 1 1 8 8 ALA CA C 13 51.50 0.20 . 1 . . . . 8 ALA CA . 15162 1 32 . 1 1 8 8 ALA CB C 13 17.76 0.20 . 1 . . . . 8 ALA CB . 15162 1 33 . 1 1 8 8 ALA N N 15 133.90 0.20 . 1 . . . . 8 ALA N . 15162 1 34 . 1 1 9 9 ASP H H 1 10.16 0.02 . 1 . . . . 9 ASP H . 15162 1 35 . 1 1 9 9 ASP C C 13 174.34 0.20 . 1 . . . . 9 ASP C . 15162 1 36 . 1 1 9 9 ASP CA C 13 54.13 0.20 . 1 . . . . 9 ASP CA . 15162 1 37 . 1 1 9 9 ASP CB C 13 47.89 0.20 . 1 . . . . 9 ASP CB . 15162 1 38 . 1 1 9 9 ASP N N 15 122.39 0.20 . 1 . . . . 9 ASP N . 15162 1 39 . 1 1 10 10 SER H H 1 8.72 0.02 . 1 . . . . 10 SER H . 15162 1 40 . 1 1 10 10 SER C C 13 174.85 0.20 . 1 . . . . 10 SER C . 15162 1 41 . 1 1 10 10 SER CA C 13 59.59 0.20 . 1 . . . . 10 SER CA . 15162 1 42 . 1 1 10 10 SER CB C 13 62.27 0.20 . 1 . . . . 10 SER CB . 15162 1 43 . 1 1 10 10 SER N N 15 120.10 0.20 . 1 . . . . 10 SER N . 15162 1 44 . 1 1 11 11 ARG H H 1 9.60 0.02 . 1 . . . . 11 ARG H . 15162 1 45 . 1 1 11 11 ARG CA C 13 54.49 0.20 . 1 . . . . 11 ARG CA . 15162 1 46 . 1 1 11 11 ARG CB C 13 29.51 0.20 . 1 . . . . 11 ARG CB . 15162 1 47 . 1 1 11 11 ARG N N 15 128.49 0.20 . 1 . . . . 11 ARG N . 15162 1 48 . 1 1 13 13 PRO C C 13 178.55 0.20 . 1 . . . . 13 PRO C . 15162 1 49 . 1 1 13 13 PRO CA C 13 65.46 0.20 . 1 . . . . 13 PRO CA . 15162 1 50 . 1 1 13 13 PRO CB C 13 30.69 0.20 . 1 . . . . 13 PRO CB . 15162 1 51 . 1 1 14 14 ASP H H 1 8.53 0.02 . 1 . . . . 14 ASP H . 15162 1 52 . 1 1 14 14 ASP C C 13 178.57 0.20 . 1 . . . . 14 ASP C . 15162 1 53 . 1 1 14 14 ASP CA C 13 56.42 0.20 . 1 . . . . 14 ASP CA . 15162 1 54 . 1 1 14 14 ASP CB C 13 39.19 0.20 . 1 . . . . 14 ASP CB . 15162 1 55 . 1 1 14 14 ASP N N 15 114.70 0.20 . 1 . . . . 14 ASP N . 15162 1 56 . 1 1 15 15 GLU H H 1 7.18 0.02 . 1 . . . . 15 GLU H . 15162 1 57 . 1 1 15 15 GLU C C 13 178.80 0.20 . 1 . . . . 15 GLU C . 15162 1 58 . 1 1 15 15 GLU CA C 13 58.41 0.20 . 1 . . . . 15 GLU CA . 15162 1 59 . 1 1 15 15 GLU CB C 13 28.48 0.20 . 1 . . . . 15 GLU CB . 15162 1 60 . 1 1 15 15 GLU N N 15 122.51 0.20 . 1 . . . . 15 GLU N . 15162 1 61 . 1 1 16 16 ILE H H 1 7.40 0.02 . 1 . . . . 16 ILE H . 15162 1 62 . 1 1 16 16 ILE C C 13 173.58 0.20 . 1 . . . . 16 ILE C . 15162 1 63 . 1 1 16 16 ILE CA C 13 61.63 0.20 . 1 . . . . 16 ILE CA . 15162 1 64 . 1 1 16 16 ILE CB C 13 34.47 0.20 . 1 . . . . 16 ILE CB . 15162 1 65 . 1 1 16 16 ILE N N 15 120.50 0.20 . 1 . . . . 16 ILE N . 15162 1 66 . 1 1 17 17 LYS H H 1 8.09 0.02 . 1 . . . . 17 LYS H . 15162 1 67 . 1 1 17 17 LYS C C 13 179.81 0.20 . 1 . . . . 17 LYS C . 15162 1 68 . 1 1 17 17 LYS CA C 13 57.62 0.20 . 1 . . . . 17 LYS CA . 15162 1 69 . 1 1 17 17 LYS CB C 13 39.06 0.20 . 1 . . . . 17 LYS CB . 15162 1 70 . 1 1 17 17 LYS N N 15 120.58 0.20 . 1 . . . . 17 LYS N . 15162 1 71 . 1 1 18 18 GLN H H 1 7.46 0.02 . 1 . . . . 18 GLN H . 15162 1 72 . 1 1 18 18 GLN C C 13 178.01 0.20 . 1 . . . . 18 GLN C . 15162 1 73 . 1 1 18 18 GLN CA C 13 58.20 0.20 . 1 . . . . 18 GLN CA . 15162 1 74 . 1 1 18 18 GLN CB C 13 27.60 0.20 . 1 . . . . 18 GLN CB . 15162 1 75 . 1 1 18 18 GLN N N 15 118.80 0.20 . 1 . . . . 18 GLN N . 15162 1 76 . 1 1 19 19 SER H H 1 7.94 0.02 . 1 . . . . 19 SER H . 15162 1 77 . 1 1 19 19 SER C C 13 173.33 0.20 . 1 . . . . 19 SER C . 15162 1 78 . 1 1 19 19 SER CA C 13 59.80 0.20 . 1 . . . . 19 SER CA . 15162 1 79 . 1 1 19 19 SER CB C 13 63.73 0.20 . 1 . . . . 19 SER CB . 15162 1 80 . 1 1 19 19 SER N N 15 113.40 0.20 . 1 . . . . 19 SER N . 15162 1 81 . 1 1 20 20 GLY H H 1 7.59 0.02 . 1 . . . . 20 GLY H . 15162 1 82 . 1 1 20 20 GLY C C 13 174.71 0.20 . 1 . . . . 20 GLY C . 15162 1 83 . 1 1 20 20 GLY CA C 13 44.57 0.20 . 1 . . . . 20 GLY CA . 15162 1 84 . 1 1 20 20 GLY N N 15 107.20 0.20 . 1 . . . . 20 GLY N . 15162 1 85 . 1 1 21 21 GLY H H 1 8.08 0.02 . 1 . . . . 21 GLY H . 15162 1 86 . 1 1 21 21 GLY C C 13 171.47 0.20 . 1 . . . . 21 GLY C . 15162 1 87 . 1 1 21 21 GLY CA C 13 44.04 0.20 . 1 . . . . 21 GLY CA . 15162 1 88 . 1 1 21 21 GLY N N 15 106.30 0.20 . 1 . . . . 21 GLY N . 15162 1 89 . 1 1 22 22 LEU H H 1 8.51 0.02 . 1 . . . . 22 LEU H . 15162 1 90 . 1 1 22 22 LEU C C 13 174.94 0.20 . 1 . . . . 22 LEU C . 15162 1 91 . 1 1 22 22 LEU CA C 13 53.58 0.20 . 1 . . . . 22 LEU CA . 15162 1 92 . 1 1 22 22 LEU CB C 13 43.00 0.20 . 1 . . . . 22 LEU CB . 15162 1 93 . 1 1 22 22 LEU N N 15 121.12 0.20 . 1 . . . . 22 LEU N . 15162 1 94 . 1 1 23 23 MET H H 1 8.42 0.02 . 1 . . . . 23 MET H . 15162 1 95 . 1 1 23 23 MET CA C 13 51.62 0.20 . 1 . . . . 23 MET CA . 15162 1 96 . 1 1 23 23 MET CB C 13 30.62 0.20 . 1 . . . . 23 MET CB . 15162 1 97 . 1 1 23 23 MET N N 15 123.29 0.20 . 1 . . . . 23 MET N . 15162 1 98 . 1 1 25 25 ARG C C 13 179.31 0.20 . 1 . . . . 25 ARG C . 15162 1 99 . 1 1 25 25 ARG CA C 13 56.49 0.20 . 1 . . . . 25 ARG CA . 15162 1 100 . 1 1 25 25 ARG CB C 13 30.56 0.20 . 1 . . . . 25 ARG CB . 15162 1 101 . 1 1 26 26 GLY H H 1 8.65 0.02 . 1 . . . . 26 GLY H . 15162 1 102 . 1 1 26 26 GLY C C 13 175.47 0.20 . 1 . . . . 26 GLY C . 15162 1 103 . 1 1 26 26 GLY CA C 13 47.06 0.20 . 1 . . . . 26 GLY CA . 15162 1 104 . 1 1 26 26 GLY N N 15 109.45 0.20 . 1 . . . . 26 GLY N . 15162 1 105 . 1 1 27 27 GLN H H 1 8.53 0.02 . 1 . . . . 27 GLN H . 15162 1 106 . 1 1 27 27 GLN C C 13 177.30 0.20 . 1 . . . . 27 GLN C . 15162 1 107 . 1 1 27 27 GLN CA C 13 56.90 0.20 . 1 . . . . 27 GLN CA . 15162 1 108 . 1 1 27 27 GLN CB C 13 29.38 0.20 . 1 . . . . 27 GLN CB . 15162 1 109 . 1 1 27 27 GLN N N 15 117.55 0.20 . 1 . . . . 27 GLN N . 15162 1 110 . 1 1 28 28 SER H H 1 7.68 0.02 . 1 . . . . 28 SER H . 15162 1 111 . 1 1 28 28 SER C C 13 172.47 0.20 . 1 . . . . 28 SER C . 15162 1 112 . 1 1 28 28 SER CA C 13 64.90 0.20 . 1 . . . . 28 SER CA . 15162 1 113 . 1 1 28 28 SER CB C 13 68.92 0.20 . 1 . . . . 28 SER CB . 15162 1 114 . 1 1 28 28 SER N N 15 113.84 0.20 . 1 . . . . 28 SER N . 15162 1 115 . 1 1 29 29 ASP H H 1 8.01 0.02 . 1 . . . . 29 ASP H . 15162 1 116 . 1 1 29 29 ASP C C 13 175.45 0.20 . 1 . . . . 29 ASP C . 15162 1 117 . 1 1 29 29 ASP CA C 13 57.45 0.20 . 1 . . . . 29 ASP CA . 15162 1 118 . 1 1 29 29 ASP CB C 13 40.38 0.20 . 1 . . . . 29 ASP CB . 15162 1 119 . 1 1 29 29 ASP N N 15 124.35 0.20 . 1 . . . . 29 ASP N . 15162 1 120 . 1 1 30 30 TYR H H 1 7.98 0.02 . 1 . . . . 30 TYR H . 15162 1 121 . 1 1 30 30 TYR C C 13 175.32 0.20 . 1 . . . . 30 TYR C . 15162 1 122 . 1 1 30 30 TYR CA C 13 57.57 0.20 . 1 . . . . 30 TYR CA . 15162 1 123 . 1 1 30 30 TYR CB C 13 38.56 0.20 . 1 . . . . 30 TYR CB . 15162 1 124 . 1 1 30 30 TYR N N 15 121.40 0.20 . 1 . . . . 30 TYR N . 15162 1 125 . 1 1 31 31 PHE H H 1 7.98 0.02 . 1 . . . . 31 PHE H . 15162 1 126 . 1 1 31 31 PHE C C 13 174.86 0.20 . 1 . . . . 31 PHE C . 15162 1 127 . 1 1 31 31 PHE CA C 13 57.47 0.20 . 1 . . . . 31 PHE CA . 15162 1 128 . 1 1 31 31 PHE CB C 13 39.13 0.20 . 1 . . . . 31 PHE CB . 15162 1 129 . 1 1 31 31 PHE N N 15 121.88 0.20 . 1 . . . . 31 PHE N . 15162 1 130 . 1 1 32 32 ASP H H 1 8.28 0.02 . 1 . . . . 32 ASP H . 15162 1 131 . 1 1 32 32 ASP C C 13 176.20 0.20 . 1 . . . . 32 ASP C . 15162 1 132 . 1 1 32 32 ASP CA C 13 53.87 0.20 . 1 . . . . 32 ASP CA . 15162 1 133 . 1 1 32 32 ASP CB C 13 40.87 0.20 . 1 . . . . 32 ASP CB . 15162 1 134 . 1 1 32 32 ASP N N 15 122.86 0.20 . 1 . . . . 32 ASP N . 15162 1 135 . 1 1 33 33 ARG H H 1 8.35 0.02 . 1 . . . . 33 ARG H . 15162 1 136 . 1 1 33 33 ARG C C 13 177.18 0.20 . 1 . . . . 33 ARG C . 15162 1 137 . 1 1 33 33 ARG CA C 13 56.45 0.20 . 1 . . . . 33 ARG CA . 15162 1 138 . 1 1 33 33 ARG CB C 13 29.50 0.20 . 1 . . . . 33 ARG CB . 15162 1 139 . 1 1 33 33 ARG N N 15 122.82 0.20 . 1 . . . . 33 ARG N . 15162 1 140 . 1 1 34 34 GLY H H 1 8.48 0.02 . 1 . . . . 34 GLY H . 15162 1 141 . 1 1 34 34 GLY C C 13 174.76 0.20 . 1 . . . . 34 GLY C . 15162 1 142 . 1 1 34 34 GLY CA C 13 45.44 0.20 . 1 . . . . 34 GLY CA . 15162 1 143 . 1 1 34 34 GLY N N 15 109.14 0.20 . 1 . . . . 34 GLY N . 15162 1 144 . 1 1 35 35 THR H H 1 7.98 0.02 . 1 . . . . 35 THR H . 15162 1 145 . 1 1 35 35 THR C C 13 174.84 0.20 . 1 . . . . 35 THR C . 15162 1 146 . 1 1 35 35 THR CA C 13 61.90 0.20 . 1 . . . . 35 THR CA . 15162 1 147 . 1 1 35 35 THR CB C 13 69.40 0.20 . 1 . . . . 36 THR CB . 15162 1 148 . 1 1 35 35 THR N N 15 113.80 0.20 . 1 . . . . 35 THR N . 15162 1 149 . 1 1 36 36 GLN H H 1 8.37 0.02 . 1 . . . . 36 GLN H . 15162 1 150 . 1 1 36 36 GLN C C 13 175.84 0.20 . 1 . . . . 36 GLN C . 15162 1 151 . 1 1 36 36 GLN CA C 13 55.90 0.20 . 1 . . . . 36 GLN CA . 15162 1 152 . 1 1 36 36 GLN CB C 13 28.40 0.20 . 1 . . . . 37 GLN CB . 15162 1 153 . 1 1 36 36 GLN N N 15 122.30 0.20 . 1 . . . . 36 GLN N . 15162 1 154 . 1 1 37 37 MET H H 1 8.27 0.02 . 1 . . . . 37 MET H . 15162 1 155 . 1 1 37 37 MET C C 13 175.87 0.20 . 1 . . . . 37 MET C . 15162 1 156 . 1 1 37 37 MET CA C 13 55.40 0.20 . 1 . . . . 37 MET CA . 15162 1 157 . 1 1 37 37 MET CB C 13 32.24 0.20 . 1 . . . . 37 MET CB . 15162 1 158 . 1 1 37 37 MET N N 15 120.90 0.20 . 1 . . . . 37 MET N . 15162 1 159 . 1 1 38 38 ASN H H 1 8.42 0.02 . 1 . . . . 38 ASN H . 15162 1 160 . 1 1 38 38 ASN C C 13 175.31 0.20 . 1 . . . . 38 ASN C . 15162 1 161 . 1 1 38 38 ASN CA C 13 53.30 0.20 . 1 . . . . 38 ASN CA . 15162 1 162 . 1 1 38 38 ASN CB C 13 38.40 0.20 . 1 . . . . 38 ASN CB . 15162 1 163 . 1 1 38 38 ASN N N 15 119.90 0.20 . 1 . . . . 38 ASN N . 15162 1 164 . 1 1 39 39 ILE H H 1 8.12 0.02 . 1 . . . . 39 ILE H . 15162 1 165 . 1 1 39 39 ILE C C 13 177.16 0.20 . 1 . . . . 39 ILE C . 15162 1 166 . 1 1 39 39 ILE CA C 13 55.20 0.20 . 1 . . . . 39 ILE CA . 15162 1 167 . 1 1 39 39 ILE CB C 13 41.34 0.20 . 1 . . . . 39 ILE CB . 15162 1 168 . 1 1 39 39 ILE N N 15 122.60 0.20 . 1 . . . . 39 ILE N . 15162 1 169 . 1 1 40 40 ASN H H 1 8.02 0.02 . 1 . . . . 40 ASN H . 15162 1 170 . 1 1 40 40 ASN C C 13 175.61 0.20 . 1 . . . . 40 ASN C . 15162 1 171 . 1 1 40 40 ASN CA C 13 57.80 0.20 . 1 . . . . 40 ASN CA . 15162 1 172 . 1 1 40 40 ASN CB C 13 38.00 0.20 . 1 . . . . 40 ASN CB . 15162 1 173 . 1 1 40 40 ASN N N 15 119.50 0.20 . 1 . . . . 40 ASN N . 15162 1 174 . 1 1 41 41 LEU H H 1 8.08 0.02 . 1 . . . . 41 LEU H . 15162 1 175 . 1 1 41 41 LEU C C 13 177.95 0.20 . 1 . . . . 41 LEU C . 15162 1 176 . 1 1 41 41 LEU CA C 13 57.60 0.20 . 1 . . . . 41 LEU CA . 15162 1 177 . 1 1 41 41 LEU CB C 13 40.43 0.20 . 1 . . . . 41 LEU CB . 15162 1 178 . 1 1 41 41 LEU N N 15 122.00 0.20 . 1 . . . . 41 LEU N . 15162 1 179 . 1 1 42 42 TYR H H 1 8.26 0.02 . 1 . . . . 42 TYR H . 15162 1 180 . 1 1 42 42 TYR C C 13 174.10 0.20 . 1 . . . . 42 TYR C . 15162 1 181 . 1 1 42 42 TYR CA C 13 58.60 0.20 . 1 . . . . 42 TYR CA . 15162 1 182 . 1 1 42 42 TYR CB C 13 28.82 0.20 . 1 . . . . 42 TYR CB . 15162 1 183 . 1 1 42 42 TYR N N 15 117.27 0.20 . 1 . . . . 42 TYR N . 15162 1 184 . 1 1 43 43 ASP H H 1 8.04 0.02 . 1 . . . . 43 ASP H . 15162 1 185 . 1 1 43 43 ASP C C 13 177.30 0.20 . 1 . . . . 43 ASP C . 15162 1 186 . 1 1 43 43 ASP CA C 13 54.70 0.20 . 1 . . . . 43 ASP CA . 15162 1 187 . 1 1 43 43 ASP CB C 13 41.50 0.20 . 1 . . . . 43 ASP CB . 15162 1 188 . 1 1 43 43 ASP N N 15 123.80 0.20 . 1 . . . . 43 ASP N . 15162 1 189 . 1 1 44 44 HIS H H 1 8.31 0.02 . 1 . . . . 44 HIS H . 15162 1 190 . 1 1 44 44 HIS C C 13 175.57 0.20 . 1 . . . . 44 HIS C . 15162 1 191 . 1 1 44 44 HIS CA C 13 56.70 0.20 . 1 . . . . 44 HIS CA . 15162 1 192 . 1 1 44 44 HIS CB C 13 29.60 0.20 . 1 . . . . 44 HIS CB . 15162 1 193 . 1 1 44 44 HIS N N 15 124.70 0.20 . 1 . . . . 44 HIS N . 15162 1 194 . 1 1 45 45 ALA H H 1 8.22 0.02 . 1 . . . . 45 ALA H . 15162 1 195 . 1 1 45 45 ALA C C 13 178.14 0.20 . 1 . . . . 45 ALA C . 15162 1 196 . 1 1 45 45 ALA CA C 13 52.70 0.20 . 1 . . . . 45 ALA CA . 15162 1 197 . 1 1 45 45 ALA CB C 13 18.30 0.20 . 1 . . . . 45 ALA CB . 15162 1 198 . 1 1 45 45 ALA N N 15 123.82 0.20 . 1 . . . . 45 ALA N . 15162 1 199 . 1 1 46 46 ARG H H 1 8.14 0.02 . 1 . . . . 46 ARG H . 15162 1 200 . 1 1 46 46 ARG C C 13 177.10 0.20 . 1 . . . . 46 ARG C . 15162 1 201 . 1 1 46 46 ARG CA C 13 56.22 0.20 . 1 . . . . 46 ARG CA . 15162 1 202 . 1 1 46 46 ARG CB C 13 29.85 0.20 . 1 . . . . 46 ARG CB . 15162 1 203 . 1 1 46 46 ARG N N 15 119.70 0.20 . 1 . . . . 46 ARG N . 15162 1 204 . 1 1 47 47 GLY H H 1 8.31 0.02 . 1 . . . . 47 GLY H . 15162 1 205 . 1 1 47 47 GLY C C 13 174.50 0.20 . 1 . . . . 47 GLY C . 15162 1 206 . 1 1 47 47 GLY CA C 13 45.20 0.20 . 1 . . . . 47 GLY CA . 15162 1 207 . 1 1 47 47 GLY N N 15 109.65 0.20 . 1 . . . . 47 GLY N . 15162 1 208 . 1 1 48 48 THR H H 1 8.06 0.02 . 1 . . . . 48 THR H . 15162 1 209 . 1 1 48 48 THR C C 13 174.80 0.20 . 1 . . . . 48 THR C . 15162 1 210 . 1 1 48 48 THR CA C 13 61.66 0.20 . 1 . . . . 48 THR CA . 15162 1 211 . 1 1 48 48 THR CB C 13 69.44 0.20 . 1 . . . . 48 THR CB . 15162 1 212 . 1 1 48 48 THR N N 15 113.80 0.20 . 1 . . . . 48 THR N . 15162 1 213 . 1 1 49 49 GLN H H 1 8.50 0.02 . 1 . . . . 49 GLN H . 15162 1 214 . 1 1 49 49 GLN C C 13 176.20 0.20 . 1 . . . . 49 GLN C . 15162 1 215 . 1 1 49 49 GLN CA C 13 55.70 0.20 . 1 . . . . 49 GLN CA . 15162 1 216 . 1 1 49 49 GLN CB C 13 28.70 0.20 . 1 . . . . 49 GLN CB . 15162 1 217 . 1 1 49 49 GLN N N 15 122.90 0.20 . 1 . . . . 49 GLN N . 15162 1 218 . 1 1 50 50 THR H H 1 8.22 0.02 . 1 . . . . 50 THR H . 15162 1 219 . 1 1 50 50 THR C C 13 174.50 0.20 . 1 . . . . 50 THR C . 15162 1 220 . 1 1 50 50 THR CA C 13 61.80 0.20 . 1 . . . . 50 THR CA . 15162 1 221 . 1 1 50 50 THR CB C 13 69.43 0.20 . 1 . . . . 50 THR CB . 15162 1 222 . 1 1 50 50 THR N N 15 115.20 0.20 . 1 . . . . 50 THR N . 15162 1 223 . 1 1 51 51 GLY H H 1 8.37 0.02 . 1 . . . . 51 GLY H . 15162 1 224 . 1 1 51 51 GLY C C 13 174.94 0.20 . 1 . . . . 51 GLY C . 15162 1 225 . 1 1 51 51 GLY CA C 13 45.03 0.20 . 1 . . . . 51 GLY CA . 15162 1 226 . 1 1 51 51 GLY N N 15 111.15 0.20 . 1 . . . . 51 GLY N . 15162 1 227 . 1 1 52 52 PHE H H 1 8.10 0.02 . 1 . . . . 52 PHE H . 15162 1 228 . 1 1 52 52 PHE C C 13 175.18 0.20 . 1 . . . . 52 PHE C . 15162 1 229 . 1 1 52 52 PHE CA C 13 57.50 0.20 . 1 . . . . 52 PHE CA . 15162 1 230 . 1 1 52 52 PHE CB C 13 39.21 0.20 . 1 . . . . 52 PHE CB . 15162 1 231 . 1 1 52 52 PHE N N 15 120.77 0.20 . 1 . . . . 52 PHE N . 15162 1 232 . 1 1 53 53 VAL H H 1 8.03 0.02 . 1 . . . . 53 VAL H . 15162 1 233 . 1 1 53 53 VAL C C 13 175.05 0.20 . 1 . . . . 53 VAL C . 15162 1 234 . 1 1 53 53 VAL CA C 13 61.39 0.20 . 1 . . . . 53 VAL CA . 15162 1 235 . 1 1 53 53 VAL CB C 13 32.62 0.20 . 1 . . . . 53 Val CB . 15162 1 236 . 1 1 53 53 VAL N N 15 123.20 0.20 . 1 . . . . 53 VAL N . 15162 1 237 . 1 1 54 54 ARG H H 1 8.38 0.02 . 1 . . . . 54 ARG H . 15162 1 238 . 1 1 54 54 ARG C C 13 176.42 0.20 . 1 . . . . 54 ARG C . 15162 1 239 . 1 1 54 54 ARG CA C 13 55.50 0.20 . 1 . . . . 54 ARG CA . 15162 1 240 . 1 1 54 54 ARG CB C 13 30.42 0.20 . 1 . . . . 54 ARG CB . 15162 1 241 . 1 1 54 54 ARG N N 15 125.39 0.20 . 1 . . . . 54 ARG N . 15162 1 242 . 1 1 55 55 HIS H H 1 8.38 0.02 . 1 . . . . 55 HIS H . 15162 1 243 . 1 1 55 55 HIS C C 13 176.50 0.20 . 1 . . . . 55 HIS C . 15162 1 244 . 1 1 55 55 HIS CA C 13 55.52 0.20 . 1 . . . . 55 HIS CA . 15162 1 245 . 1 1 55 55 HIS CB C 13 30.40 0.20 . 1 . . . . 55 HIS CB . 15162 1 246 . 1 1 55 55 HIS N N 15 125.40 0.20 . 1 . . . . 55 HIS N . 15162 1 247 . 1 1 56 56 ASP H H 1 8.48 0.02 . 1 . . . . 56 ASP H . 15162 1 248 . 1 1 56 56 ASP C C 13 174.45 0.20 . 1 . . . . 56 ASP C . 15162 1 249 . 1 1 56 56 ASP CA C 13 53.33 0.20 . 1 . . . . 56 ASP CA . 15162 1 250 . 1 1 56 56 ASP CB C 13 38.13 0.20 . 1 . . . . 56 ASP CB . 15162 1 251 . 1 1 56 56 ASP N N 15 118.20 0.20 . 1 . . . . 56 ASP N . 15162 1 252 . 1 1 57 57 ASP H H 1 8.49 0.02 . 1 . . . . 57 ASP H . 15162 1 253 . 1 1 57 57 ASP C C 13 176.33 0.20 . 1 . . . . 57 ASP C . 15162 1 254 . 1 1 57 57 ASP CA C 13 53.97 0.20 . 1 . . . . 57 ASP CA . 15162 1 255 . 1 1 57 57 ASP CB C 13 40.60 0.20 . 1 . . . . 57 ASP CB . 15162 1 256 . 1 1 57 57 ASP N N 15 121.11 0.20 . 1 . . . . 57 ASP N . 15162 1 257 . 1 1 58 58 GLY H H 1 8.42 0.02 . 1 . . . . 58 GLY H . 15162 1 258 . 1 1 58 58 GLY C C 13 176.40 0.20 . 1 . . . . 58 GLY C . 15162 1 259 . 1 1 58 58 GLY CA C 13 45.11 0.20 . 1 . . . . 58 GLY CA . 15162 1 260 . 1 1 58 58 GLY N N 15 109.15 0.20 . 1 . . . . 58 GLY N . 15162 1 261 . 1 1 59 59 TYR H H 1 8.04 0.02 . 1 . . . . 59 TYR H . 15162 1 262 . 1 1 59 59 TYR C C 13 178.01 0.20 . 1 . . . . 59 TYR C . 15162 1 263 . 1 1 59 59 TYR CA C 13 54.74 0.20 . 1 . . . . 59 TYR CA . 15162 1 264 . 1 1 59 59 TYR CB C 13 41.50 0.20 . 1 . . . . 59 TYR CB . 15162 1 265 . 1 1 59 59 TYR N N 15 115.23 0.20 . 1 . . . . 59 TYR N . 15162 1 266 . 1 1 60 60 VAL H H 1 8.04 0.02 . 1 . . . . 60 VAL H . 15162 1 267 . 1 1 60 60 VAL C C 13 175.50 0.20 . 1 . . . . 60 VAL C . 15162 1 268 . 1 1 60 60 VAL CA C 13 57.83 0.20 . 1 . . . . 60 VAL CA . 15162 1 269 . 1 1 60 60 VAL CB C 13 38.02 0.20 . 1 . . . . 60 VAL CB . 15162 1 270 . 1 1 60 60 VAL N N 15 119.60 0.20 . 1 . . . . 60 VAL N . 15162 1 271 . 1 1 61 61 SER H H 1 8.19 0.02 . 1 . . . . 61 SER H . 15162 1 272 . 1 1 61 61 SER CA C 13 57.86 0.20 . 1 . . . . 61 SER CA . 15162 1 273 . 1 1 61 61 SER CB C 13 63.22 0.20 . 1 . . . . 61 SER CB . 15162 1 274 . 1 1 61 61 SER N N 15 117.61 0.20 . 1 . . . . 61 SER N . 15162 1 275 . 1 1 62 62 THR C C 13 175.00 0.20 . 1 . . . . 62 THR C . 15162 1 276 . 1 1 63 63 SER C C 13 175.00 0.20 . 1 . . . . 63 SER C . 15162 1 277 . 1 1 65 65 SER H H 1 7.98 0.02 . 1 . . . . 65 SER H . 15162 1 278 . 1 1 65 65 SER CA C 13 55.15 0.20 . 1 . . . . 65 SER CA . 15162 1 279 . 1 1 65 65 SER CB C 13 63.22 0.20 . 1 . . . . 65 SER CB . 15162 1 280 . 1 1 65 65 SER N N 15 120.82 0.20 . 1 . . . . 65 SER N . 15162 1 281 . 1 1 68 68 SER C C 13 176.74 0.20 . 1 . . . . 68 SER C . 15162 1 282 . 1 1 68 68 SER CA C 13 61.98 0.20 . 1 . . . . 68 SER CA . 15162 1 283 . 1 1 69 69 ALA H H 1 8.02 0.02 . 1 . . . . 69 ALA H . 15162 1 284 . 1 1 69 69 ALA C C 13 179.50 0.20 . 1 . . . . 69 ALA C . 15162 1 285 . 1 1 69 69 ALA CA C 13 54.58 0.20 . 1 . . . . 69 ALA CA . 15162 1 286 . 1 1 69 69 ALA CB C 13 18.93 0.20 . 1 . . . . 69 ALA CB . 15162 1 287 . 1 1 69 69 ALA N N 15 125.27 0.20 . 1 . . . . 69 ALA N . 15162 1 288 . 1 1 70 70 HIS H H 1 8.59 0.02 . 1 . . . . 70 HIS H . 15162 1 289 . 1 1 70 70 HIS C C 13 176.85 0.20 . 1 . . . . 70 HIS C . 15162 1 290 . 1 1 70 70 HIS CA C 13 57.60 0.20 . 1 . . . . 70 HIS CA . 15162 1 291 . 1 1 70 70 HIS CB C 13 31.15 0.20 . 1 . . . . 70 HIS CB . 15162 1 292 . 1 1 70 70 HIS N N 15 120.14 0.20 . 1 . . . . 70 HIS N . 15162 1 293 . 1 1 71 71 LEU H H 1 8.55 0.02 . 1 . . . . 71 LEU H . 15162 1 294 . 1 1 71 71 LEU C C 13 175.80 0.20 . 1 . . . . 71 LEU C . 15162 1 295 . 1 1 71 71 LEU CA C 13 58.00 0.20 . 1 . . . . 71 LEU CA . 15162 1 296 . 1 1 71 71 LEU CB C 13 29.70 0.20 . 1 . . . . 71 LEU CB . 15162 1 297 . 1 1 71 71 LEU N N 15 123.40 0.20 . 1 . . . . 71 LEU N . 15162 1 298 . 1 1 72 72 VAL H H 1 8.20 0.02 . 1 . . . . 72 VAL H . 15162 1 299 . 1 1 72 72 VAL CA C 13 55.56 0.20 . 1 . . . . 72 VAL CA . 15162 1 300 . 1 1 72 72 VAL CB C 13 30.54 0.20 . 1 . . . . 72 VAL CB . 15162 1 301 . 1 1 72 72 VAL N N 15 120.30 0.20 . 1 . . . . 72 VAL N . 15162 1 302 . 1 1 73 73 GLY H H 1 8.34 0.02 . 1 . . . . 73 GLY H . 15162 1 303 . 1 1 73 73 GLY C C 13 176.60 0.20 . 1 . . . . 73 GLY C . 15162 1 304 . 1 1 73 73 GLY CA C 13 46.30 0.20 . 1 . . . . 73 GLY CA . 15162 1 305 . 1 1 73 73 GLY N N 15 116.20 0.20 . 1 . . . . 73 GLY N . 15162 1 306 . 1 1 74 74 GLN H H 1 8.46 0.02 . 1 . . . . 74 GLN H . 15162 1 307 . 1 1 74 74 GLN C C 13 179.25 0.20 . 1 . . . . 74 GLN C . 15162 1 308 . 1 1 74 74 GLN CA C 13 53.40 0.20 . 1 . . . . 74 GLN CA . 15162 1 309 . 1 1 74 74 GLN N N 15 117.90 0.20 . 1 . . . . 74 GLN N . 15162 1 310 . 1 1 75 75 THR H H 1 7.98 0.02 . 1 . . . . 75 THR H . 15162 1 311 . 1 1 75 75 THR C C 13 176.60 0.20 . 1 . . . . 75 THR C . 15162 1 312 . 1 1 75 75 THR CA C 13 61.86 0.20 . 1 . . . . 75 THR CA . 15162 1 313 . 1 1 75 75 THR CB C 13 69.39 0.20 . 1 . . . . 75 THR CB . 15162 1 314 . 1 1 75 75 THR N N 15 115.21 0.20 . 1 . . . . 75 THR N . 15162 1 315 . 1 1 76 76 ILE H H 1 8.10 0.02 . 1 . . . . 76 ILE H . 15162 1 316 . 1 1 76 76 ILE C C 13 175.80 0.20 . 1 . . . . 76 ILE C . 15162 1 317 . 1 1 76 76 ILE CA C 13 61.31 0.20 . 1 . . . . 76 ILE CA . 15162 1 318 . 1 1 76 76 ILE CB C 13 38.06 0.20 . 1 . . . . 76 ILE CB . 15162 1 319 . 1 1 76 76 ILE N N 15 124.92 0.20 . 1 . . . . 76 ILE N . 15162 1 320 . 1 1 77 77 LEU H H 1 8.48 0.02 . 1 . . . . 77 LEU H . 15162 1 321 . 1 1 77 77 LEU C C 13 177.28 0.20 . 1 . . . . 77 LEU C . 15162 1 322 . 1 1 77 77 LEU CA C 13 53.25 0.20 . 1 . . . . 77 LEU CA . 15162 1 323 . 1 1 77 77 LEU CB C 13 38.37 0.20 . 1 . . . . 77 LEU CB . 15162 1 324 . 1 1 77 77 LEU N N 15 121.81 0.20 . 1 . . . . 77 LEU N . 15162 1 325 . 1 1 78 78 SER H H 1 7.26 0.02 . 1 . . . . 78 SER H . 15162 1 326 . 1 1 78 78 SER C C 13 175.71 0.20 . 1 . . . . 78 SER C . 15162 1 327 . 1 1 78 78 SER CA C 13 60.50 0.20 . 1 . . . . 78 SER CA . 15162 1 328 . 1 1 78 78 SER CB C 13 62.56 0.20 . 1 . . . . 78 SER CB . 15162 1 329 . 1 1 78 78 SER N N 15 114.06 0.20 . 1 . . . . 78 SER N . 15162 1 330 . 1 1 79 79 GLY H H 1 8.83 0.02 . 1 . . . . 79 GLY H . 15162 1 331 . 1 1 79 79 GLY C C 13 174.12 0.20 . 1 . . . . 79 GLY C . 15162 1 332 . 1 1 79 79 GLY CA C 13 44.75 0.20 . 1 . . . . 79 GLY CA . 15162 1 333 . 1 1 79 79 GLY N N 15 110.64 0.20 . 1 . . . . 79 GLY N . 15162 1 334 . 1 1 80 80 HIS H H 1 8.40 0.02 . 1 . . . . 80 HIS H . 15162 1 335 . 1 1 80 80 HIS C C 13 176.26 0.20 . 1 . . . . 80 HIS C . 15162 1 336 . 1 1 80 80 HIS CA C 13 55.91 0.20 . 1 . . . . 80 HIS CA . 15162 1 337 . 1 1 80 80 HIS CB C 13 28.92 0.20 . 1 . . . . 80 HIS CB . 15162 1 338 . 1 1 80 80 HIS N N 15 120.40 0.20 . 1 . . . . 80 HIS N . 15162 1 339 . 1 1 81 81 SER H H 1 8.49 0.02 . 1 . . . . 81 SER H . 15162 1 340 . 1 1 81 81 SER C C 13 174.60 0.20 . 1 . . . . 81 SER C . 15162 1 341 . 1 1 81 81 SER CA C 13 58.61 0.20 . 1 . . . . 81 SER CA . 15162 1 342 . 1 1 81 81 SER CB C 13 63.20 0.20 . 1 . . . . 81 SER CB . 15162 1 343 . 1 1 81 81 SER N N 15 116.90 0.20 . 1 . . . . 81 SER N . 15162 1 344 . 1 1 82 82 THR H H 1 7.98 0.02 . 1 . . . . 82 THR H . 15162 1 345 . 1 1 82 82 THR C C 13 173.77 0.20 . 1 . . . . 82 THR C . 15162 1 346 . 1 1 82 82 THR CA C 13 61.60 0.20 . 1 . . . . 82 THR CA . 15162 1 347 . 1 1 82 82 THR CB C 13 71.30 0.20 . 1 . . . . 82 THR CB . 15162 1 348 . 1 1 82 82 THR N N 15 117.00 0.20 . 1 . . . . 82 THR N . 15162 1 349 . 1 1 83 83 TYR H H 1 8.64 0.02 . 1 . . . . 83 TYR H . 15162 1 350 . 1 1 83 83 TYR C C 13 169.71 0.20 . 1 . . . . 83 TYR C . 15162 1 351 . 1 1 83 83 TYR CA C 13 56.70 0.20 . 1 . . . . 83 TYR CA . 15162 1 352 . 1 1 83 83 TYR CB C 13 38.40 0.20 . 1 . . . . 83 TYR CB . 15162 1 353 . 1 1 83 83 TYR N N 15 122.50 0.20 . 1 . . . . 83 TYR N . 15162 1 354 . 1 1 84 84 TYR H H 1 8.58 0.02 . 1 . . . . 84 TYR H . 15162 1 355 . 1 1 84 84 TYR C C 13 174.73 0.20 . 1 . . . . 84 TYR C . 15162 1 356 . 1 1 84 84 TYR CA C 13 56.60 0.20 . 1 . . . . 84 TYR CA . 15162 1 357 . 1 1 84 84 TYR CB C 13 42.40 0.20 . 1 . . . . 84 TYR CB . 15162 1 358 . 1 1 84 84 TYR N N 15 117.30 0.20 . 1 . . . . 84 TYR N . 15162 1 359 . 1 1 85 85 ILE H H 1 9.29 0.02 . 1 . . . . 85 ILE H . 15162 1 360 . 1 1 85 85 ILE C C 13 175.85 0.20 . 1 . . . . 85 ILE C . 15162 1 361 . 1 1 85 85 ILE CA C 13 60.20 0.20 . 1 . . . . 85 ILE CA . 15162 1 362 . 1 1 85 85 ILE CB C 13 39.30 0.20 . 1 . . . . 85 ILE CB . 15162 1 363 . 1 1 85 85 ILE N N 15 119.80 0.20 . 1 . . . . 85 ILE N . 15162 1 364 . 1 1 86 86 TYR H H 1 9.34 0.02 . 1 . . . . 86 TYR H . 15162 1 365 . 1 1 86 86 TYR C C 13 174.62 0.20 . 1 . . . . 86 TYR C . 15162 1 366 . 1 1 86 86 TYR CA C 13 60.00 0.20 . 1 . . . . 86 TYR CA . 15162 1 367 . 1 1 86 86 TYR CB C 13 39.90 0.20 . 1 . . . . 86 TYR CB . 15162 1 368 . 1 1 86 86 TYR N N 15 127.00 0.20 . 1 . . . . 86 TYR N . 15162 1 369 . 1 1 87 87 VAL H H 1 9.18 0.02 . 1 . . . . 87 VAL H . 15162 1 370 . 1 1 87 87 VAL C C 13 175.10 0.20 . 1 . . . . 87 VAL C . 15162 1 371 . 1 1 87 87 VAL CA C 13 61.40 0.20 . 1 . . . . 87 VAL CA . 15162 1 372 . 1 1 87 87 VAL CB C 13 31.50 0.20 . 1 . . . . 87 VAL CB . 15162 1 373 . 1 1 87 87 VAL N N 15 123.90 0.20 . 1 . . . . 87 VAL N . 15162 1 374 . 1 1 88 88 ILE H H 1 9.43 0.02 . 1 . . . . 88 ILE H . 15162 1 375 . 1 1 88 88 ILE C C 13 174.73 0.20 . 1 . . . . 88 ILE C . 15162 1 376 . 1 1 88 88 ILE CA C 13 60.10 0.20 . 1 . . . . 88 ILE CA . 15162 1 377 . 1 1 88 88 ILE CB C 13 40.73 0.20 . 1 . . . . 88 ILE CB . 15162 1 378 . 1 1 88 88 ILE N N 15 130.00 0.20 . 1 . . . . 88 ILE N . 15162 1 379 . 1 1 89 89 ALA H H 1 8.59 0.02 . 1 . . . . 89 ALA H . 15162 1 380 . 1 1 89 89 ALA C C 13 176.98 0.20 . 1 . . . . 89 ALA C . 15162 1 381 . 1 1 89 89 ALA CA C 13 51.80 0.20 . 1 . . . . 89 ALA CA . 15162 1 382 . 1 1 89 89 ALA CB C 13 20.54 0.20 . 1 . . . . 89 ALA CB . 15162 1 383 . 1 1 89 89 ALA N N 15 128.60 0.20 . 1 . . . . 89 ALA N . 15162 1 384 . 1 1 90 90 THR H H 1 8.15 0.02 . 1 . . . . 90 THR H . 15162 1 385 . 1 1 90 90 THR C C 13 173.95 0.20 . 1 . . . . 90 THR C . 15162 1 386 . 1 1 90 90 THR CA C 13 61.15 0.20 . 1 . . . . 90 THR CA . 15162 1 387 . 1 1 90 90 THR CB C 13 69.69 0.20 . 1 . . . . 90 THR CB . 15162 1 388 . 1 1 90 90 THR N N 15 113.20 0.20 . 1 . . . . 90 THR N . 15162 1 389 . 1 1 91 91 ALA H H 1 8.17 0.02 . 1 . . . . 91 ALA H . 15162 1 390 . 1 1 91 91 ALA CA C 13 50.29 0.20 . 1 . . . . 91 ALA CA . 15162 1 391 . 1 1 91 91 ALA CB C 13 18.10 0.20 . 1 . . . . 91 ALA CB . 15162 1 392 . 1 1 91 91 ALA N N 15 126.00 0.20 . 1 . . . . 91 ALA N . 15162 1 393 . 1 1 92 92 PRO C C 13 174.20 0.20 . 1 . . . . 92 PRO C . 15162 1 394 . 1 1 92 92 PRO CA C 13 60.35 0.20 . 1 . . . . 92 PRO CA . 15162 1 395 . 1 1 92 92 PRO CB C 13 38.17 0.20 . 1 . . . . 92 PRO CB . 15162 1 396 . 1 1 93 93 ASN H H 1 8.15 0.02 . 1 . . . . 93 ASN H . 15162 1 397 . 1 1 93 93 ASN C C 13 174.88 0.20 . 1 . . . . 93 ASN C . 15162 1 398 . 1 1 93 93 ASN CA C 13 54.94 0.20 . 1 . . . . 93 ASN CA . 15162 1 399 . 1 1 93 93 ASN CB C 13 38.40 0.20 . 1 . . . . 93 ASN CB . 15162 1 400 . 1 1 93 93 ASN N N 15 128.11 0.20 . 1 . . . . 93 ASN N . 15162 1 401 . 1 1 94 94 MET H H 1 7.70 0.02 . 1 . . . . 94 MET H . 15162 1 402 . 1 1 94 94 MET C C 13 174.75 0.20 . 1 . . . . 94 MET C . 15162 1 403 . 1 1 94 94 MET CA C 13 61.09 0.20 . 1 . . . . 94 MET CA . 15162 1 404 . 1 1 94 94 MET CB C 13 36.66 0.20 . 1 . . . . 94 MET CB . 15162 1 405 . 1 1 94 94 MET N N 15 120.64 0.20 . 1 . . . . 94 MET N . 15162 1 406 . 1 1 95 95 PHE H H 1 9.20 0.02 . 1 . . . . 95 PHE H . 15162 1 407 . 1 1 95 95 PHE C C 13 175.84 0.20 . 1 . . . . 95 PHE C . 15162 1 408 . 1 1 95 95 PHE CA C 13 59.59 0.20 . 1 . . . . 95 PHE CA . 15162 1 409 . 1 1 95 95 PHE CB C 13 39.44 0.20 . 1 . . . . 95 PHE CB . 15162 1 410 . 1 1 95 95 PHE N N 15 131.85 0.20 . 1 . . . . 95 PHE N . 15162 1 411 . 1 1 96 96 ASN H H 1 8.28 0.02 . 1 . . . . 96 ASN H . 15162 1 412 . 1 1 96 96 ASN C C 13 176.20 0.20 . 1 . . . . 96 ASN C . 15162 1 413 . 1 1 96 96 ASN CA C 13 53.90 0.20 . 1 . . . . 96 ASN CA . 15162 1 414 . 1 1 96 96 ASN CB C 13 40.78 0.20 . 1 . . . . 96 ASN CB . 15162 1 415 . 1 1 96 96 ASN N N 15 122.86 0.20 . 1 . . . . 96 ASN N . 15162 1 416 . 1 1 97 97 VAL H H 1 8.35 0.02 . 1 . . . . 97 VAL H . 15162 1 417 . 1 1 97 97 VAL C C 13 174.52 0.20 . 1 . . . . 97 VAL C . 15162 1 418 . 1 1 97 97 VAL CA C 13 58.96 0.20 . 1 . . . . 97 VAL CA . 15162 1 419 . 1 1 97 97 VAL CB C 13 29.63 0.20 . 1 . . . . 97 VAL CB . 15162 1 420 . 1 1 97 97 VAL N N 15 122.80 0.20 . 1 . . . . 97 VAL N . 15162 1 421 . 1 1 98 98 ASN H H 1 8.42 0.02 . 1 . . . . 98 ASN H . 15162 1 422 . 1 1 98 98 ASN C C 13 175.64 0.20 . 1 . . . . 98 ASN C . 15162 1 423 . 1 1 98 98 ASN CA C 13 54.16 0.20 . 1 . . . . 98 ASN CA . 15162 1 424 . 1 1 98 98 ASN CB C 13 40.55 0.20 . 1 . . . . 98 ASN CB . 15162 1 425 . 1 1 98 98 ASN N N 15 122.48 0.20 . 1 . . . . 98 ASN N . 15162 1 426 . 1 1 99 99 ASP H H 1 8.30 0.02 . 1 . . . . 99 ASP H . 15162 1 427 . 1 1 99 99 ASP C C 13 176.35 0.20 . 1 . . . . 99 ASP C . 15162 1 428 . 1 1 99 99 ASP CA C 13 54.24 0.20 . 1 . . . . 99 ASP CA . 15162 1 429 . 1 1 99 99 ASP CB C 13 40.59 0.20 . 1 . . . . 99 ASP CB . 15162 1 430 . 1 1 99 99 ASP N N 15 121.30 0.20 . 1 . . . . 99 ASP N . 15162 1 431 . 1 1 100 100 VAL H H 1 8.02 0.02 . 1 . . . . 100 VAL H . 15162 1 432 . 1 1 100 100 VAL C C 13 176.62 0.20 . 1 . . . . 100 VAL C . 15162 1 433 . 1 1 100 100 VAL CA C 13 62.53 0.20 . 1 . . . . 100 VAL CA . 15162 1 434 . 1 1 100 100 VAL CB C 13 31.74 0.20 . 1 . . . . 100 VAL CB . 15162 1 435 . 1 1 100 100 VAL N N 15 120.35 0.20 . 1 . . . . 100 VAL N . 15162 1 436 . 1 1 101 101 LEU H H 1 8.27 0.02 . 1 . . . . 101 LEU H . 15162 1 437 . 1 1 101 101 LEU C C 13 178.10 0.20 . 1 . . . . 101 LEU C . 15162 1 438 . 1 1 101 101 LEU CA C 13 55.29 0.20 . 1 . . . . 101 LEU CA . 15162 1 439 . 1 1 101 101 LEU CB C 13 41.10 0.20 . 1 . . . . 101 LEU CB . 15162 1 440 . 1 1 101 101 LEU N N 15 124.26 0.20 . 1 . . . . 101 LEU N . 15162 1 441 . 1 1 102 102 GLY H H 1 8.25 0.02 . 1 . . . . 102 GLY H . 15162 1 442 . 1 1 102 102 GLY C C 13 175.54 0.20 . 1 . . . . 102 GLY C . 15162 1 443 . 1 1 102 102 GLY CA C 13 45.12 0.20 . 1 . . . . 102 GLY CA . 15162 1 444 . 1 1 102 102 GLY N N 15 110.02 0.20 . 1 . . . . 102 GLY N . 15162 1 445 . 1 1 103 103 ALA H H 1 8.12 0.02 . 1 . . . . 103 ALA H . 15162 1 446 . 1 1 103 103 ALA C C 13 177.65 0.20 . 1 . . . . 103 ALA C . 15162 1 447 . 1 1 103 103 ALA CA C 13 52.22 0.20 . 1 . . . . 103 ALA CA . 15162 1 448 . 1 1 103 103 ALA CB C 13 18.70 0.20 . 1 . . . . 103 ALA CB . 15162 1 449 . 1 1 103 103 ALA N N 15 123.90 0.20 . 1 . . . . 103 ALA N . 15162 1 450 . 1 1 104 104 TYR H H 1 8.26 0.02 . 1 . . . . 104 TYR H . 15162 1 451 . 1 1 104 104 TYR C C 13 174.68 0.20 . 1 . . . . 104 TYR C . 15162 1 452 . 1 1 104 104 TYR CA C 13 54.20 0.20 . 1 . . . . 104 TYR CA . 15162 1 453 . 1 1 104 104 TYR CB C 13 40.70 0.20 . 1 . . . . 104 TYR CB . 15162 1 454 . 1 1 104 104 TYR N N 15 119.50 0.20 . 1 . . . . 104 TYR N . 15162 1 455 . 1 1 105 105 SER H H 1 7.87 0.02 . 1 . . . . 105 SER H . 15162 1 456 . 1 1 105 105 SER CA C 13 60.40 0.20 . 1 . . . . 105 SER CA . 15162 1 457 . 1 1 105 105 SER CB C 13 63.90 0.20 . 1 . . . . 105 SER CB . 15162 1 458 . 1 1 105 105 SER N N 15 116.60 0.20 . 1 . . . . 105 SER N . 15162 1 459 . 1 1 120 120 PRO C C 13 176.60 0.20 . 1 . . . . 120 PRO C . 15162 1 460 . 1 1 120 120 PRO CA C 13 62.50 0.20 . 1 . . . . 120 PRO CA . 15162 1 461 . 1 1 120 120 PRO CB C 13 32.20 0.20 . 1 . . . . 120 PRO CB . 15162 1 462 . 1 1 121 121 TYR H H 1 8.11 0.02 . 1 . . . . 121 TYR H . 15162 1 463 . 1 1 121 121 TYR C C 13 176.20 0.20 . 1 . . . . 121 TYR C . 15162 1 464 . 1 1 121 121 TYR CA C 13 61.30 0.20 . 1 . . . . 121 TYR CA . 15162 1 465 . 1 1 121 121 TYR CB C 13 38.10 0.20 . 1 . . . . 121 TYR CB . 15162 1 466 . 1 1 121 121 TYR N N 15 124.90 0.20 . 1 . . . . 121 TYR N . 15162 1 467 . 1 1 122 122 SER H H 1 8.58 0.02 . 1 . . . . 122 SER H . 15162 1 468 . 1 1 122 122 SER C C 13 174.80 0.20 . 1 . . . . 122 SER C . 15162 1 469 . 1 1 122 122 SER CA C 13 59.50 0.20 . 1 . . . . 122 SER CA . 15162 1 470 . 1 1 122 122 SER CB C 13 62.25 0.20 . 1 . . . . 122 SER CB . 15162 1 471 . 1 1 122 122 SER N N 15 110.30 0.20 . 1 . . . . 122 SER N . 15162 1 472 . 1 1 123 123 GLN H H 1 9.60 0.02 . 1 . . . . 123 GLN H . 15162 1 473 . 1 1 123 123 GLN C C 13 174.90 0.20 . 1 . . . . 123 GLN C . 15162 1 474 . 1 1 123 123 GLN CA C 13 54.50 0.20 . 1 . . . . 123 GLN CA . 15162 1 475 . 1 1 123 123 GLN CB C 13 29.50 0.20 . 1 . . . . 123 GLN CB . 15162 1 476 . 1 1 123 123 GLN N N 15 128.40 0.20 . 1 . . . . 123 GLN N . 15162 1 477 . 1 1 124 124 ILE H H 1 7.70 0.02 . 1 . . . . 124 ILE H . 15162 1 478 . 1 1 124 124 ILE C C 13 175.00 0.20 . 1 . . . . 124 ILE C . 15162 1 479 . 1 1 124 124 ILE CA C 13 61.10 0.20 . 1 . . . . 124 ILE CA . 15162 1 480 . 1 1 124 124 ILE CB C 13 36.70 0.20 . 1 . . . . 124 ILE CB . 15162 1 481 . 1 1 124 124 ILE N N 15 120.70 0.20 . 1 . . . . 124 ILE N . 15162 1 482 . 1 1 125 125 VAL H H 1 8.47 0.02 . 1 . . . . 125 VAL H . 15162 1 483 . 1 1 125 125 VAL C C 13 177.26 0.20 . 1 . . . . 125 VAL C . 15162 1 484 . 1 1 125 125 VAL CA C 13 59.62 0.20 . 1 . . . . 125 VAL CA . 15162 1 485 . 1 1 125 125 VAL CB C 13 39.34 0.20 . 1 . . . . 125 VAL CB . 15162 1 486 . 1 1 125 125 VAL N N 15 115.00 0.20 . 1 . . . . 125 VAL N . 15162 1 487 . 1 1 126 126 GLY H H 1 7.93 0.02 . 1 . . . . 126 GLY H . 15162 1 488 . 1 1 126 126 GLY C C 13 169.93 0.20 . 1 . . . . 126 GLY C . 15162 1 489 . 1 1 126 126 GLY CA C 13 45.62 0.20 . 1 . . . . 126 GLY CA . 15162 1 490 . 1 1 126 126 GLY N N 15 104.47 0.20 . 1 . . . . 126 GLY N . 15162 1 491 . 1 1 127 127 TRP H H 1 8.30 0.02 . 1 . . . . 127 TRP H . 15162 1 492 . 1 1 127 127 TRP C C 13 173.70 0.20 . 1 . . . . 127 TRP C . 15162 1 493 . 1 1 127 127 TRP CA C 13 55.34 0.20 . 1 . . . . 127 TRP CA . 15162 1 494 . 1 1 127 127 TRP CB C 13 30.31 0.20 . 1 . . . . 127 TRP CB . 15162 1 495 . 1 1 127 127 TRP N N 15 117.68 0.20 . 1 . . . . 127 TRP N . 15162 1 496 . 1 1 128 128 TYR H H 1 9.07 0.02 . 1 . . . . 128 TYR H . 15162 1 497 . 1 1 128 128 TYR C C 13 175.57 0.20 . 1 . . . . 128 TYR C . 15162 1 498 . 1 1 128 128 TYR CA C 13 55.73 0.20 . 1 . . . . 128 TYR CA . 15162 1 499 . 1 1 128 128 TYR CB C 13 40.96 0.20 . 1 . . . . 128 TYR CB . 15162 1 500 . 1 1 128 128 TYR N N 15 117.42 0.20 . 1 . . . . 128 TYR N . 15162 1 501 . 1 1 129 129 ARG H H 1 8.26 0.02 . 1 . . . . 129 ARG H . 15162 1 502 . 1 1 129 129 ARG C C 13 173.79 0.20 . 1 . . . . 129 ARG C . 15162 1 503 . 1 1 129 129 ARG CA C 13 55.44 0.20 . 1 . . . . 129 ARG CA . 15162 1 504 . 1 1 129 129 ARG CB C 13 32.24 0.20 . 1 . . . . 129 ARG CB . 15162 1 505 . 1 1 129 129 ARG N N 15 124.95 0.20 . 1 . . . . 129 ARG N . 15162 1 506 . 1 1 130 130 VAL H H 1 8.26 0.02 . 1 . . . . 130 VAL H . 15162 1 507 . 1 1 130 130 VAL C C 13 174.69 0.20 . 1 . . . . 130 VAL C . 15162 1 508 . 1 1 130 130 VAL CA C 13 60.60 0.20 . 1 . . . . 130 VAL CA . 15162 1 509 . 1 1 130 130 VAL CB C 13 30.38 0.20 . 1 . . . . 130 VAL CB . 15162 1 510 . 1 1 130 130 VAL N N 15 124.95 0.20 . 1 . . . . 130 VAL N . 15162 1 511 . 1 1 131 131 HIS H H 1 8.14 0.02 . 1 . . . . 131 HIS H . 15162 1 512 . 1 1 131 131 HIS C C 13 175.34 0.20 . 1 . . . . 131 HIS C . 15162 1 513 . 1 1 131 131 HIS CA C 13 53.76 0.20 . 1 . . . . 131 HIS CA . 15162 1 514 . 1 1 131 131 HIS CB C 13 31.79 0.20 . 1 . . . . 131 HIS CB . 15162 1 515 . 1 1 131 131 HIS N N 15 126.21 0.20 . 1 . . . . 131 HIS N . 15162 1 516 . 1 1 132 132 PHE H H 1 9.64 0.02 . 1 . . . . 132 PHE H . 15162 1 517 . 1 1 132 132 PHE C C 13 176.40 0.20 . 1 . . . . 132 PHE C . 15162 1 518 . 1 1 132 132 PHE CA C 13 58.68 0.20 . 1 . . . . 132 PHE CA . 15162 1 519 . 1 1 132 132 PHE CB C 13 35.78 0.20 . 1 . . . . 132 PHE CB . 15162 1 520 . 1 1 132 132 PHE N N 15 130.19 0.20 . 1 . . . . 132 PHE N . 15162 1 521 . 1 1 133 133 GLY H H 1 8.53 0.02 . 1 . . . . 133 GLY H . 15162 1 522 . 1 1 133 133 GLY C C 13 174.50 0.20 . 1 . . . . 133 GLY C . 15162 1 523 . 1 1 133 133 GLY CA C 13 44.98 0.20 . 1 . . . . 133 GLY CA . 15162 1 524 . 1 1 133 133 GLY N N 15 110.70 0.20 . 1 . . . . 133 GLY N . 15162 1 525 . 1 1 134 134 VAL H H 1 7.87 0.02 . 1 . . . . 134 VAL H . 15162 1 526 . 1 1 134 134 VAL C C 13 175.90 0.20 . 1 . . . . 134 VAL C . 15162 1 527 . 1 1 134 134 VAL CA C 13 61.84 0.20 . 1 . . . . 134 VAL CA . 15162 1 528 . 1 1 134 134 VAL CB C 13 31.46 0.20 . 1 . . . . 134 VAL CB . 15162 1 529 . 1 1 134 134 VAL N N 15 124.60 0.20 . 1 . . . . 134 VAL N . 15162 1 530 . 1 1 135 135 LEU H H 1 8.71 0.02 . 1 . . . . 135 LEU H . 15162 1 531 . 1 1 135 135 LEU C C 13 175.20 0.20 . 1 . . . . 135 LEU C . 15162 1 532 . 1 1 135 135 LEU CA C 13 55.20 0.20 . 1 . . . . 135 LEU CA . 15162 1 533 . 1 1 135 135 LEU CB C 13 41.20 0.20 . 1 . . . . 135 LEU CB . 15162 1 534 . 1 1 135 135 LEU N N 15 133.70 0.20 . 1 . . . . 135 LEU N . 15162 1 535 . 1 1 136 136 ASP H H 1 8.50 0.02 . 1 . . . . 136 ASP H . 15162 1 536 . 1 1 136 136 ASP C C 13 176.90 0.20 . 1 . . . . 136 ASP C . 15162 1 537 . 1 1 136 136 ASP CA C 13 53.40 0.20 . 1 . . . . 136 ASP CA . 15162 1 538 . 1 1 136 136 ASP CB C 13 40.74 0.20 . 1 . . . . 136 ASP CB . 15162 1 539 . 1 1 136 136 ASP N N 15 130.10 0.20 . 1 . . . . 136 ASP N . 15162 1 540 . 1 1 137 137 GLU H H 1 8.54 0.02 . 1 . . . . 137 GLU H . 15162 1 541 . 1 1 137 137 GLU C C 13 173.71 0.20 . 1 . . . . 137 GLU C . 15162 1 542 . 1 1 137 137 GLU CA C 13 57.60 0.20 . 1 . . . . 137 GLU CA . 15162 1 543 . 1 1 137 137 GLU CB C 13 28.74 0.20 . 1 . . . . 137 GLU CB . 15162 1 544 . 1 1 137 137 GLU N N 15 123.82 0.20 . 1 . . . . 137 GLU N . 15162 1 545 . 1 1 138 138 GLN H H 1 8.20 0.02 . 1 . . . . 138 GLN H . 15162 1 546 . 1 1 138 138 GLN C C 13 175.40 0.20 . 1 . . . . 138 GLN C . 15162 1 547 . 1 1 138 138 GLN CA C 13 55.13 0.20 . 1 . . . . 138 GLN CA . 15162 1 548 . 1 1 138 138 GLN CB C 13 28.42 0.20 . 1 . . . . 138 GLN CB . 15162 1 549 . 1 1 138 138 GLN N N 15 120.50 0.20 . 1 . . . . 138 GLN N . 15162 1 550 . 1 1 139 139 LEU H H 1 8.30 0.02 . 1 . . . . 139 LEU H . 15162 1 551 . 1 1 139 139 LEU C C 13 176.19 0.20 . 1 . . . . 139 LEU C . 15162 1 552 . 1 1 139 139 LEU CA C 13 54.90 0.20 . 1 . . . . 139 LEU CA . 15162 1 553 . 1 1 139 139 LEU CB C 13 40.40 0.20 . 1 . . . . 139 LEU CB . 15162 1 554 . 1 1 139 139 LEU N N 15 130.23 0.20 . 1 . . . . 139 LEU N . 15162 1 555 . 1 1 140 140 HIS H H 1 8.36 0.02 . 1 . . . . 140 HIS H . 15162 1 556 . 1 1 140 140 HIS C C 13 174.10 0.20 . 1 . . . . 140 HIS C . 15162 1 557 . 1 1 140 140 HIS CA C 13 54.59 0.20 . 1 . . . . 140 HIS CA . 15162 1 558 . 1 1 140 140 HIS CB C 13 28.65 0.20 . 1 . . . . 140 HIS CB . 15162 1 559 . 1 1 140 140 HIS N N 15 128.84 0.20 . 1 . . . . 140 HIS N . 15162 1 560 . 1 1 141 141 ARG H H 1 8.30 0.02 . 1 . . . . 141 ARG H . 15162 1 561 . 1 1 141 141 ARG C C 13 175.46 0.20 . 1 . . . . 141 ARG C . 15162 1 562 . 1 1 141 141 ARG CA C 13 55.35 0.20 . 1 . . . . 141 ARG CA . 15162 1 563 . 1 1 141 141 ARG CB C 13 28.99 0.20 . 1 . . . . 141 ARG CB . 15162 1 564 . 1 1 141 141 ARG N N 15 123.42 0.20 . 1 . . . . 141 ARG N . 15162 1 565 . 1 1 142 142 ASN H H 1 7.59 0.02 . 1 . . . . 142 ASN H . 15162 1 566 . 1 1 142 142 ASN CA C 13 51.37 0.20 . 1 . . . . 142 ASN CA . 15162 1 567 . 1 1 142 142 ASN CB C 13 38.15 0.20 . 1 . . . . 142 ASN CB . 15162 1 568 . 1 1 142 142 ASN N N 15 120.50 0.20 . 1 . . . . 142 ASN N . 15162 1 569 . 1 1 149 149 TYR C C 13 174.20 0.20 . 1 . . . . 149 TYR C . 15162 1 570 . 1 1 150 150 TYR H H 1 8.40 0.02 . 1 . . . . 150 TYR H . 15162 1 571 . 1 1 150 150 TYR C C 13 175.50 0.20 . 1 . . . . 150 TYR C . 15162 1 572 . 1 1 150 150 TYR CA C 13 53.30 0.20 . 1 . . . . 150 TYR CA . 15162 1 573 . 1 1 150 150 TYR CB C 13 38.20 0.20 . 1 . . . . 150 TYR CB . 15162 1 574 . 1 1 150 150 TYR N N 15 121.30 0.20 . 1 . . . . 150 TYR N . 15162 1 575 . 1 1 151 151 SER H H 1 8.19 0.02 . 1 . . . . 151 SER H . 15162 1 576 . 1 1 151 151 SER C C 13 174.00 0.20 . 1 . . . . 151 SER C . 15162 1 577 . 1 1 151 151 SER CA C 13 57.90 0.20 . 1 . . . . 151 SER CA . 15162 1 578 . 1 1 151 151 SER CB C 13 63.60 0.20 . 1 . . . . 151 SER CB . 15162 1 579 . 1 1 151 151 SER N N 15 117.60 0.20 . 1 . . . . 151 SER N . 15162 1 580 . 1 1 152 152 ASN H H 1 8.40 0.02 . 1 . . . . 152 ASN H . 15162 1 581 . 1 1 152 152 ASN C C 13 175.10 0.20 . 1 . . . . 152 ASN C . 15162 1 582 . 1 1 152 152 ASN CA C 13 53.20 0.20 . 1 . . . . 152 ASN CA . 15162 1 583 . 1 1 152 152 ASN CB C 13 38.20 0.20 . 1 . . . . 152 ASN CB . 15162 1 584 . 1 1 152 152 ASN N N 15 121.10 0.20 . 1 . . . . 152 ASN N . 15162 1 585 . 1 1 153 153 LEU H H 1 8.13 0.02 . 1 . . . . 153 LEU H . 15162 1 586 . 1 1 153 153 LEU C C 13 177.10 0.20 . 1 . . . . 153 LEU C . 15162 1 587 . 1 1 153 153 LEU CA C 13 55.05 0.20 . 1 . . . . 153 LEU CA . 15162 1 588 . 1 1 153 153 LEU CB C 13 41.43 0.20 . 1 . . . . 153 LEU CB . 15162 1 589 . 1 1 153 153 LEU N N 15 122.12 0.20 . 1 . . . . 153 LEU N . 15162 1 590 . 1 1 154 154 ASP H H 1 8.24 0.02 . 1 . . . . 154 ASP H . 15162 1 591 . 1 1 154 154 ASP C C 13 175.90 0.20 . 1 . . . . 154 ASP C . 15162 1 592 . 1 1 154 154 ASP CA C 13 54.30 0.20 . 1 . . . . 154 ASP CA . 15162 1 593 . 1 1 154 154 ASP CB C 13 40.60 0.20 . 1 . . . . 154 ASP CB . 15162 1 594 . 1 1 154 154 ASP N N 15 121.20 0.20 . 1 . . . . 154 ASP N . 15162 1 595 . 1 1 155 155 ILE H H 1 7.87 0.02 . 1 . . . . 155 ILE H . 15162 1 596 . 1 1 155 155 ILE C C 13 175.60 0.20 . 1 . . . . 155 ILE C . 15162 1 597 . 1 1 155 155 ILE CA C 13 60.30 0.20 . 1 . . . . 155 ILE CA . 15162 1 598 . 1 1 155 155 ILE CB C 13 38.12 0.20 . 1 . . . . 155 ILE CB . 15162 1 599 . 1 1 155 155 ILE N N 15 120.60 0.20 . 1 . . . . 155 ILE N . 15162 1 600 . 1 1 156 156 ALA H H 1 8.35 0.02 . 1 . . . . 156 ALA H . 15162 1 601 . 1 1 156 156 ALA CA C 13 50.30 0.20 . 1 . . . . 156 ALA CA . 15162 1 602 . 1 1 156 156 ALA CB C 13 17.52 0.20 . 1 . . . . 156 ALA CB . 15162 1 603 . 1 1 156 156 ALA N N 15 129.90 0.20 . 1 . . . . 156 ALA N . 15162 1 604 . 1 1 157 157 PRO C C 13 175.91 0.20 . 1 . . . . 157 PRO C . 15162 1 605 . 1 1 157 157 PRO CA C 13 62.31 0.20 . 1 . . . . 157 PRO CA . 15162 1 606 . 1 1 157 157 PRO CB C 13 33.60 0.20 . 1 . . . . 157 PRO CB . 15162 1 607 . 1 1 158 158 ALA H H 1 8.53 0.02 . 1 . . . . 158 ALA H . 15162 1 608 . 1 1 158 158 ALA C C 13 177.75 0.20 . 1 . . . . 158 ALA C . 15162 1 609 . 1 1 158 158 ALA CA C 13 52.45 0.20 . 1 . . . . 158 ALA CA . 15162 1 610 . 1 1 158 158 ALA CB C 13 18.62 0.20 . 1 . . . . 158 ALA CB . 15162 1 611 . 1 1 158 158 ALA N N 15 125.61 0.20 . 1 . . . . 158 ALA N . 15162 1 612 . 1 1 159 159 ALA H H 1 8.38 0.02 . 1 . . . . 159 ALA H . 15162 1 613 . 1 1 159 159 ALA C C 13 177.60 0.20 . 1 . . . . 159 ALA C . 15162 1 614 . 1 1 159 159 ALA CA C 13 52.22 0.20 . 1 . . . . 159 ALA CA . 15162 1 615 . 1 1 159 159 ALA CB C 13 18.20 0.20 . 1 . . . . 159 ALA CB . 15162 1 616 . 1 1 159 159 ALA N N 15 124.10 0.20 . 1 . . . . 159 ALA N . 15162 1 617 . 1 1 160 160 ASP H H 1 8.26 0.02 . 1 . . . . 160 ASP H . 15162 1 618 . 1 1 160 160 ASP C C 13 176.75 0.20 . 1 . . . . 160 ASP C . 15162 1 619 . 1 1 160 160 ASP CA C 13 54.20 0.20 . 1 . . . . 160 ASP CA . 15162 1 620 . 1 1 160 160 ASP CB C 13 40.67 0.20 . 1 . . . . 160 ASP CB . 15162 1 621 . 1 1 160 160 ASP N N 15 119.48 0.20 . 1 . . . . 160 ASP N . 15162 1 622 . 1 1 161 161 GLY H H 1 8.24 0.02 . 1 . . . . 161 GLY H . 15162 1 623 . 1 1 161 161 GLY C C 13 174.20 0.20 . 1 . . . . 161 GLY C . 15162 1 624 . 1 1 161 161 GLY CA C 13 44.98 0.20 . 1 . . . . 161 GLY CA . 15162 1 625 . 1 1 161 161 GLY N N 15 109.30 0.20 . 1 . . . . 161 GLY N . 15162 1 626 . 1 1 162 162 TYR H H 1 8.14 0.02 . 1 . . . . 162 TYR H . 15162 1 627 . 1 1 162 162 TYR C C 13 176.61 0.20 . 1 . . . . 162 TYR C . 15162 1 628 . 1 1 162 162 TYR CA C 13 58.24 0.20 . 1 . . . . 162 TYR CA . 15162 1 629 . 1 1 162 162 TYR CB C 13 38.04 0.20 . 1 . . . . 162 TYR CB . 15162 1 630 . 1 1 162 162 TYR N N 15 120.65 0.20 . 1 . . . . 162 TYR N . 15162 1 631 . 1 1 163 163 GLY H H 1 8.37 0.02 . 1 . . . . 163 GLY H . 15162 1 632 . 1 1 163 163 GLY C C 13 174.20 0.20 . 1 . . . . 163 GLY C . 15162 1 633 . 1 1 163 163 GLY CA C 13 45.13 0.20 . 1 . . . . 163 GLY CA . 15162 1 634 . 1 1 163 163 GLY N N 15 111.15 0.20 . 1 . . . . 163 GLY N . 15162 1 635 . 1 1 164 164 LEU H H 1 8.04 0.02 . 1 . . . . 164 LEU H . 15162 1 636 . 1 1 164 164 LEU C C 13 177.32 0.20 . 1 . . . . 164 LEU C . 15162 1 637 . 1 1 164 164 LEU CA C 13 54.82 0.20 . 1 . . . . 164 LEU CA . 15162 1 638 . 1 1 164 164 LEU CB C 13 41.53 0.20 . 1 . . . . 164 LEU CB . 15162 1 639 . 1 1 164 164 LEU N N 15 121.98 0.20 . 1 . . . . 164 LEU N . 15162 1 640 . 1 1 165 165 ALA H H 1 8.32 0.02 . 1 . . . . 165 ALA H . 15162 1 641 . 1 1 165 165 ALA C C 13 177.94 0.20 . 1 . . . . 165 ALA C . 15162 1 642 . 1 1 165 165 ALA CA C 13 52.42 0.20 . 1 . . . . 165 ALA CA . 15162 1 643 . 1 1 165 165 ALA CB C 13 18.59 0.20 . 1 . . . . 165 ALA CB . 15162 1 644 . 1 1 165 165 ALA N N 15 124.70 0.20 . 1 . . . . 165 ALA N . 15162 1 645 . 1 1 166 166 GLY H H 1 8.22 0.02 . 1 . . . . 166 GLY H . 15162 1 646 . 1 1 166 166 GLY C C 13 172.87 0.20 . 1 . . . . 166 GLY C . 15162 1 647 . 1 1 166 166 GLY CA C 13 44.80 0.20 . 1 . . . . 166 GLY CA . 15162 1 648 . 1 1 166 166 GLY N N 15 108.37 0.20 . 1 . . . . 166 GLY N . 15162 1 649 . 1 1 167 167 PHE H H 1 7.62 0.02 . 1 . . . . 167 PHE H . 15162 1 650 . 1 1 167 167 PHE CA C 13 58.78 0.20 . 1 . . . . 167 PHE CA . 15162 1 651 . 1 1 167 167 PHE CB C 13 39.61 0.20 . 1 . . . . 167 PHE CB . 15162 1 652 . 1 1 167 167 PHE N N 15 124.99 0.20 . 1 . . . . 167 PHE N . 15162 1 stop_ save_