data_17853 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17853 _Entry.Title ; Backbone and sidechain 1H 13C and 15N chemical shift assignement of the catalytic domain from ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-08-10 _Entry.Accession_date 2011-08-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Simon Sauve . . . 17853 2 Yves Aubin . . . 17853 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17853 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 663 17853 '15N chemical shifts' 193 17853 '1H chemical shifts' 824 17853 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 . . 2013-01-17 2011-08-11 update BMRB 'update entry citation' 17853 1 . . 2012-01-18 2011-08-11 original author 'original release' 17853 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17853 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22205447 _Citation.Full_citation . _Citation.Title 'Backbone and side chain 1H, 13C and 15N resonance assignments of the catalytic domain of diphtheria toxin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 6 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 189 _Citation.Page_last 192 _Citation.Year 2012 _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 Simon Sauve . . . 17853 1 2 Genevieve Gingras . . . 17853 1 3 Yves Aubin . . . 17853 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Catalytic domain' 17853 1 'Diphtheria toxin' 17853 1 DTA 17853 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17853 _Assembly.ID 1 _Assembly.Name DTA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DTA 1 $DTA A . yes native no no . . . 17853 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DTA _Entity.Sf_category entity _Entity.Sf_framecode DTA _Entity.Entry_ID 17853 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DTA _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 ; GADDVVDSSKSFVMENFSSY HGTKPGYVDSIQKGIQKPKS GTQGNYDDDWKGFYSTDNKY DAAGYSVDNENPLSGKAGGV VKVTYPGLTKVLALKVDNAE TIKKELGLSLTEPLMEQVGT EEFIKRFGDGASRVVLSLPF AEGSSSVEYINNWEQAKALS VELEINFETRGKRGQDAMYE YMAQACAGNRVRRSVGSSLS CINLD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 205 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1DDT . "The Refined Structure Of Dimeric Diphtheria Toxin At 2.0 Angstroms Resolution" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 2 no PDB 1DTP . "The Structure Of The Isolated Catalytic Domain Of Diphtheria Toxin" . . . . . 92.68 190 100.00 100.00 9.41e-136 . . . . 17853 1 3 no PDB 1F0L . "1.55 Angstrom Crystal Structure Of Wild Type Diphtheria Toxin" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 4 no PDB 1MDT . "The Refined Structure Of Monomeric Diphtheria Toxin At 2.3 Angstroms Resolution" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 5 no PDB 1SGK . "Nucleotide-Free Diphtheria Toxin" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 6 no PDB 1TOX . "Diphtheria Toxin Dimer Complexed With Nad" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 7 no PDB 1XDT . "Complex Of Diphtheria Toxin And Heparin-Binding Epidermal Growth Factor" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 8 no PDB 4AE0 . "Crystal Structure Of Diphtheria Toxin Mutant Crm197" . . . . . 100.00 535 99.51 99.51 5.12e-143 . . . . 17853 1 9 no PDB 4AE1 . "Crystal Structure Of Diphtheria Toxin Mutant Crm197 In Complex With Nicotinamide" . . . . . 100.00 535 99.51 99.51 5.12e-143 . . . . 17853 1 10 no PDB 4OW6 . "Crystal Structure Of Diphtheria Toxin At Acidic Ph" . . . . . 100.00 535 100.00 100.00 2.70e-144 . . . . 17853 1 11 no DBJ BAB03348 . "diphtheria toxin [Corynephage beta]" . . . . . 100.00 535 99.02 99.51 1.58e-142 . . . . 17853 1 12 no DBJ BAG06867 . "diphtheria toxin [Corynebacterium ulcerans] [Corynebacterium ulcerans 0102]" . . . . . 100.00 560 98.05 99.02 4.81e-142 . . . . 17853 1 13 no DBJ BAG06868 . "diphtheria toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.05 99.02 4.81e-142 . . . . 17853 1 14 no DBJ BAG06869 . "diphtheria toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.54 100.00 5.49e-143 . . . . 17853 1 15 no DBJ BAH57338 . "diphtheria toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.54 100.00 5.49e-143 . . . . 17853 1 16 no EMBL CAA24778 . "diphtheria toxin [Corynephage omega]" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 17 no EMBL CAA25302 . "diphtheria toxin [Corynebacterium diphtheriae phage]" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 18 no EMBL CAE11230 . "diphteria toxin, partial [Corynebacterium diphtheriae]" . . . . . 100.00 538 100.00 100.00 2.84e-144 . . . . 17853 1 19 no EMBL CAE48728 . "Diphtheria toxin precursor [Corynebacterium diphtheriae]" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 20 no GB AAA32182 . "diphtheria toxin (gtg start codon) [Corynephage beta]" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 21 no GB AAA32183 . "diphtheria toxin CRM228 (gtg start codon) [Corynephage beta]" . . . . . 100.00 560 98.54 99.02 8.55e-142 . . . . 17853 1 22 no GB AAA72358 . "fusion protein [synthetic construct]" . . . . . 98.54 461 100.00 100.00 2.12e-143 . . . . 17853 1 23 no GB AAA72359 . "fusion protein [synthetic construct]" . . . . . 100.00 521 100.00 100.00 3.22e-145 . . . . 17853 1 24 no GB AAA72360 . "fusion protein [synthetic construct]" . . . . . 100.00 521 100.00 100.00 2.30e-145 . . . . 17853 1 25 no PIR DOCGA . "NAD-diphthamide ADP-ribosyltransferase (EC 2.4.2.36) precursor - corynephage beta" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 26 no PRF 1007216A . "toxin CRM197 [Corynebacterium diphtheriae]" . . . . . 100.00 535 99.51 99.51 5.12e-143 . . . . 17853 1 27 no PRF 1007216B . "toxin CRM45 [Corynebacterium diphtheriae]" . . . . . 100.00 386 99.51 99.51 1.13e-145 . . . . 17853 1 28 no PRF 1305345A . "toxin A mutant,diphteria [Corynebacterium diphtheriae]" . . . . . 93.66 193 99.48 99.48 1.46e-136 . . . . 17853 1 29 no PRF 760286A . "toxin act fragment,diphteria [Corynebacterium diphtheriae]" . . . . . 94.15 193 98.45 98.45 1.58e-135 . . . . 17853 1 30 no REF WP_003850266 . "toxin [Corynebacterium diphtheriae]" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 31 no REF WP_014835773 . "toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.05 99.02 4.81e-142 . . . . 17853 1 32 no REF WP_029975703 . "toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.05 99.02 4.61e-142 . . . . 17853 1 33 no REF WP_038617330 . "toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.54 99.51 8.38e-143 . . . . 17853 1 34 no REF WP_044032678 . "toxin [Corynebacterium ulcerans]" . . . . . 100.00 560 98.05 99.02 4.81e-142 . . . . 17853 1 35 no SP P00587 . "RecName: Full=Diphtheria toxin; Short=DT; AltName: Full=NAD(+)--diphthamide ADP-ribosyltransferase; Contains: RecName: Full=Dip" . . . . . 100.00 560 100.00 100.00 3.80e-144 . . . . 17853 1 36 no SP P00588 . "RecName: Full=Diphtheria toxin; Short=DT; AltName: Full=NAD(+)--diphthamide ADP-ribosyltransferase; Contains: RecName: Full=Dip" . . . . . 100.00 567 100.00 100.00 4.87e-144 . . . . 17853 1 37 no SP P00589 . "RecName: Full=Diphtheria toxin homolog CRM228; Contains: RecName: Full=Diphtheria toxin homolog CRM228 fragment A; Contains: Re" . . . . . 100.00 560 98.54 99.02 8.55e-142 . . . . 17853 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 . GLY . 17853 1 2 . ALA . 17853 1 3 . ASP . 17853 1 4 . ASP . 17853 1 5 . VAL . 17853 1 6 . VAL . 17853 1 7 . ASP . 17853 1 8 . SER . 17853 1 9 . SER . 17853 1 10 . LYS . 17853 1 11 . SER . 17853 1 12 . PHE . 17853 1 13 . VAL . 17853 1 14 . MET . 17853 1 15 . GLU . 17853 1 16 . ASN . 17853 1 17 . PHE . 17853 1 18 . SER . 17853 1 19 . SER . 17853 1 20 . TYR . 17853 1 21 . HIS . 17853 1 22 . GLY . 17853 1 23 . THR . 17853 1 24 . LYS . 17853 1 25 . PRO . 17853 1 26 . GLY . 17853 1 27 . TYR . 17853 1 28 . VAL . 17853 1 29 . ASP . 17853 1 30 . SER . 17853 1 31 . ILE . 17853 1 32 . GLN . 17853 1 33 . LYS . 17853 1 34 . GLY . 17853 1 35 . ILE . 17853 1 36 . GLN . 17853 1 37 . LYS . 17853 1 38 . PRO . 17853 1 39 . LYS . 17853 1 40 . SER . 17853 1 41 . GLY . 17853 1 42 . THR . 17853 1 43 . GLN . 17853 1 44 . GLY . 17853 1 45 . ASN . 17853 1 46 . TYR . 17853 1 47 . ASP . 17853 1 48 . ASP . 17853 1 49 . ASP . 17853 1 50 . TRP . 17853 1 51 . LYS . 17853 1 52 . GLY . 17853 1 53 . PHE . 17853 1 54 . TYR . 17853 1 55 . SER . 17853 1 56 . THR . 17853 1 57 . ASP . 17853 1 58 . ASN . 17853 1 59 . LYS . 17853 1 60 . TYR . 17853 1 61 . ASP . 17853 1 62 . ALA . 17853 1 63 . ALA . 17853 1 64 . GLY . 17853 1 65 . TYR . 17853 1 66 . SER . 17853 1 67 . VAL . 17853 1 68 . ASP . 17853 1 69 . ASN . 17853 1 70 . GLU . 17853 1 71 . ASN . 17853 1 72 . PRO . 17853 1 73 . LEU . 17853 1 74 . SER . 17853 1 75 . GLY . 17853 1 76 . LYS . 17853 1 77 . ALA . 17853 1 78 . GLY . 17853 1 79 . GLY . 17853 1 80 . VAL . 17853 1 81 . VAL . 17853 1 82 . LYS . 17853 1 83 . VAL . 17853 1 84 . THR . 17853 1 85 . TYR . 17853 1 86 . PRO . 17853 1 87 . GLY . 17853 1 88 . LEU . 17853 1 89 . THR . 17853 1 90 . LYS . 17853 1 91 . VAL . 17853 1 92 . LEU . 17853 1 93 . ALA . 17853 1 94 . LEU . 17853 1 95 . LYS . 17853 1 96 . VAL . 17853 1 97 . ASP . 17853 1 98 . ASN . 17853 1 99 . ALA . 17853 1 100 . GLU . 17853 1 101 . THR . 17853 1 102 . ILE . 17853 1 103 . LYS . 17853 1 104 . LYS . 17853 1 105 . GLU . 17853 1 106 . LEU . 17853 1 107 . GLY . 17853 1 108 . LEU . 17853 1 109 . SER . 17853 1 110 . LEU . 17853 1 111 . THR . 17853 1 112 . GLU . 17853 1 113 . PRO . 17853 1 114 . LEU . 17853 1 115 . MET . 17853 1 116 . GLU . 17853 1 117 . GLN . 17853 1 118 . VAL . 17853 1 119 . GLY . 17853 1 120 . THR . 17853 1 121 . GLU . 17853 1 122 . GLU . 17853 1 123 . PHE . 17853 1 124 . ILE . 17853 1 125 . LYS . 17853 1 126 . ARG . 17853 1 127 . PHE . 17853 1 128 . GLY . 17853 1 129 . ASP . 17853 1 130 . GLY . 17853 1 131 . ALA . 17853 1 132 . SER . 17853 1 133 . ARG . 17853 1 134 . VAL . 17853 1 135 . VAL . 17853 1 136 . LEU . 17853 1 137 . SER . 17853 1 138 . LEU . 17853 1 139 . PRO . 17853 1 140 . PHE . 17853 1 141 . ALA . 17853 1 142 . GLU . 17853 1 143 . GLY . 17853 1 144 . SER . 17853 1 145 . SER . 17853 1 146 . SER . 17853 1 147 . VAL . 17853 1 148 . GLU . 17853 1 149 . TYR . 17853 1 150 . ILE . 17853 1 151 . ASN . 17853 1 152 . ASN . 17853 1 153 . TRP . 17853 1 154 . GLU . 17853 1 155 . GLN . 17853 1 156 . ALA . 17853 1 157 . LYS . 17853 1 158 . ALA . 17853 1 159 . LEU . 17853 1 160 . SER . 17853 1 161 . VAL . 17853 1 162 . GLU . 17853 1 163 . LEU . 17853 1 164 . GLU . 17853 1 165 . ILE . 17853 1 166 . ASN . 17853 1 167 . PHE . 17853 1 168 . GLU . 17853 1 169 . THR . 17853 1 170 . ARG . 17853 1 171 . GLY . 17853 1 172 . LYS . 17853 1 173 . ARG . 17853 1 174 . GLY . 17853 1 175 . GLN . 17853 1 176 . ASP . 17853 1 177 . ALA . 17853 1 178 . MET . 17853 1 179 . TYR . 17853 1 180 . GLU . 17853 1 181 . TYR . 17853 1 182 . MET . 17853 1 183 . ALA . 17853 1 184 . GLN . 17853 1 185 . ALA . 17853 1 186 . CYS . 17853 1 187 . ALA . 17853 1 188 . GLY . 17853 1 189 . ASN . 17853 1 190 . ARG . 17853 1 191 . VAL . 17853 1 192 . ARG . 17853 1 193 . ARG . 17853 1 194 . SER . 17853 1 195 . VAL . 17853 1 196 . GLY . 17853 1 197 . SER . 17853 1 198 . SER . 17853 1 199 . LEU . 17853 1 200 . SER . 17853 1 201 . CYS . 17853 1 202 . ILE . 17853 1 203 . ASN . 17853 1 204 . LEU . 17853 1 205 . ASP . 17853 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 17853 1 . ALA 2 2 17853 1 . ASP 3 3 17853 1 . ASP 4 4 17853 1 . VAL 5 5 17853 1 . VAL 6 6 17853 1 . ASP 7 7 17853 1 . SER 8 8 17853 1 . SER 9 9 17853 1 . LYS 10 10 17853 1 . SER 11 11 17853 1 . PHE 12 12 17853 1 . VAL 13 13 17853 1 . MET 14 14 17853 1 . GLU 15 15 17853 1 . ASN 16 16 17853 1 . PHE 17 17 17853 1 . SER 18 18 17853 1 . SER 19 19 17853 1 . TYR 20 20 17853 1 . HIS 21 21 17853 1 . GLY 22 22 17853 1 . THR 23 23 17853 1 . LYS 24 24 17853 1 . PRO 25 25 17853 1 . GLY 26 26 17853 1 . TYR 27 27 17853 1 . VAL 28 28 17853 1 . ASP 29 29 17853 1 . SER 30 30 17853 1 . ILE 31 31 17853 1 . GLN 32 32 17853 1 . LYS 33 33 17853 1 . GLY 34 34 17853 1 . ILE 35 35 17853 1 . GLN 36 36 17853 1 . LYS 37 37 17853 1 . PRO 38 38 17853 1 . LYS 39 39 17853 1 . SER 40 40 17853 1 . GLY 41 41 17853 1 . THR 42 42 17853 1 . GLN 43 43 17853 1 . GLY 44 44 17853 1 . ASN 45 45 17853 1 . TYR 46 46 17853 1 . ASP 47 47 17853 1 . ASP 48 48 17853 1 . ASP 49 49 17853 1 . TRP 50 50 17853 1 . LYS 51 51 17853 1 . GLY 52 52 17853 1 . PHE 53 53 17853 1 . TYR 54 54 17853 1 . SER 55 55 17853 1 . THR 56 56 17853 1 . ASP 57 57 17853 1 . ASN 58 58 17853 1 . LYS 59 59 17853 1 . TYR 60 60 17853 1 . ASP 61 61 17853 1 . ALA 62 62 17853 1 . ALA 63 63 17853 1 . GLY 64 64 17853 1 . TYR 65 65 17853 1 . SER 66 66 17853 1 . VAL 67 67 17853 1 . ASP 68 68 17853 1 . ASN 69 69 17853 1 . GLU 70 70 17853 1 . ASN 71 71 17853 1 . PRO 72 72 17853 1 . LEU 73 73 17853 1 . SER 74 74 17853 1 . GLY 75 75 17853 1 . LYS 76 76 17853 1 . ALA 77 77 17853 1 . GLY 78 78 17853 1 . GLY 79 79 17853 1 . VAL 80 80 17853 1 . VAL 81 81 17853 1 . LYS 82 82 17853 1 . VAL 83 83 17853 1 . THR 84 84 17853 1 . TYR 85 85 17853 1 . PRO 86 86 17853 1 . GLY 87 87 17853 1 . LEU 88 88 17853 1 . THR 89 89 17853 1 . LYS 90 90 17853 1 . VAL 91 91 17853 1 . LEU 92 92 17853 1 . ALA 93 93 17853 1 . LEU 94 94 17853 1 . LYS 95 95 17853 1 . VAL 96 96 17853 1 . ASP 97 97 17853 1 . ASN 98 98 17853 1 . ALA 99 99 17853 1 . GLU 100 100 17853 1 . THR 101 101 17853 1 . ILE 102 102 17853 1 . LYS 103 103 17853 1 . LYS 104 104 17853 1 . GLU 105 105 17853 1 . LEU 106 106 17853 1 . GLY 107 107 17853 1 . LEU 108 108 17853 1 . SER 109 109 17853 1 . LEU 110 110 17853 1 . THR 111 111 17853 1 . GLU 112 112 17853 1 . PRO 113 113 17853 1 . LEU 114 114 17853 1 . MET 115 115 17853 1 . GLU 116 116 17853 1 . GLN 117 117 17853 1 . VAL 118 118 17853 1 . GLY 119 119 17853 1 . THR 120 120 17853 1 . GLU 121 121 17853 1 . GLU 122 122 17853 1 . PHE 123 123 17853 1 . ILE 124 124 17853 1 . LYS 125 125 17853 1 . ARG 126 126 17853 1 . PHE 127 127 17853 1 . GLY 128 128 17853 1 . ASP 129 129 17853 1 . GLY 130 130 17853 1 . ALA 131 131 17853 1 . SER 132 132 17853 1 . ARG 133 133 17853 1 . VAL 134 134 17853 1 . VAL 135 135 17853 1 . LEU 136 136 17853 1 . SER 137 137 17853 1 . LEU 138 138 17853 1 . PRO 139 139 17853 1 . PHE 140 140 17853 1 . ALA 141 141 17853 1 . GLU 142 142 17853 1 . GLY 143 143 17853 1 . SER 144 144 17853 1 . SER 145 145 17853 1 . SER 146 146 17853 1 . VAL 147 147 17853 1 . GLU 148 148 17853 1 . TYR 149 149 17853 1 . ILE 150 150 17853 1 . ASN 151 151 17853 1 . ASN 152 152 17853 1 . TRP 153 153 17853 1 . GLU 154 154 17853 1 . GLN 155 155 17853 1 . ALA 156 156 17853 1 . LYS 157 157 17853 1 . ALA 158 158 17853 1 . LEU 159 159 17853 1 . SER 160 160 17853 1 . VAL 161 161 17853 1 . GLU 162 162 17853 1 . LEU 163 163 17853 1 . GLU 164 164 17853 1 . ILE 165 165 17853 1 . ASN 166 166 17853 1 . PHE 167 167 17853 1 . GLU 168 168 17853 1 . THR 169 169 17853 1 . ARG 170 170 17853 1 . GLY 171 171 17853 1 . LYS 172 172 17853 1 . ARG 173 173 17853 1 . GLY 174 174 17853 1 . GLN 175 175 17853 1 . ASP 176 176 17853 1 . ALA 177 177 17853 1 . MET 178 178 17853 1 . TYR 179 179 17853 1 . GLU 180 180 17853 1 . TYR 181 181 17853 1 . MET 182 182 17853 1 . ALA 183 183 17853 1 . GLN 184 184 17853 1 . ALA 185 185 17853 1 . CYS 186 186 17853 1 . ALA 187 187 17853 1 . GLY 188 188 17853 1 . ASN 189 189 17853 1 . ARG 190 190 17853 1 . VAL 191 191 17853 1 . ARG 192 192 17853 1 . ARG 193 193 17853 1 . SER 194 194 17853 1 . VAL 195 195 17853 1 . GLY 196 196 17853 1 . SER 197 197 17853 1 . SER 198 198 17853 1 . LEU 199 199 17853 1 . SER 200 200 17853 1 . CYS 201 201 17853 1 . ILE 202 202 17853 1 . ASN 203 203 17853 1 . LEU 204 204 17853 1 . ASP 205 205 17853 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 17853 _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 $DTA . 1717 organism . 'Corynebacterium diphtheriae' 'Corynebacterium diphtheriae' . . Bacteria . Corynebacterium diphtheriae . . . . . . . . . . . . . . . . . . . . . 17853 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 17853 _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 $DTA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b10 . . . . . . 17853 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17853 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 DTA '[U-99% 13C; U-99% 15N]' . . 1 $DTA . . 1.5 . . mM . . . . 17853 1 2 'sodium phosphate' 'natural abundance' . . . . . . 2 . . mM . . . . 17853 1 3 DSS 'natural abundance' . . . . . . 1 . . mM . . . . 17853 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17853 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17853 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 17853 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 1.5 mM DTA 2 mM NaPi 1 mM DSS 5% D2O pH 6.0 T 308K ; 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 6 . pH 17853 1 pressure 1 . atm 17853 1 temperature 308 . K 17853 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17853 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17853 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17853 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17853 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17853 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17853 2 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 17853 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17853 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 17853 _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 . 700 . . . 17853 1 2 spectrometer_2 Varian INOVA . 600 . . . 17853 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 17853 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17853 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17853 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17853 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 17853 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17853 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17853 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17853 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 17853 _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' . . . 17853 1 2 '3D CBCA(CO)NH' . . . 17853 1 3 '3D HNCA' . . . 17853 1 4 '3D HNCACB' . . . 17853 1 5 '3D HBHA(CO)NH' . . . 17853 1 6 '3D HNHA' . . . 17853 1 7 '3D HCCH-TOCSY' . . . 17853 1 8 '3D HCCH-COSY' . . . 17853 1 9 '3D HNCO' . . . 17853 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 1 1 GLY HA2 H 1 4.226 0.05 . 1 . . . . 1 G HA1 . 17853 1 2 . 1 1 1 1 GLY C C 13 172.411 0.4 . 1 . . . . 1 G C . 17853 1 3 . 1 1 1 1 GLY CA C 13 43.498 0.4 . 1 . . . . 1 G CA . 17853 1 4 . 1 1 2 2 ALA H H 1 9.206 0.05 . 1 . . . . 2 A HN . 17853 1 5 . 1 1 2 2 ALA HA H 1 3.981 0.05 . 1 . . . . 2 A HA . 17853 1 6 . 1 1 2 2 ALA HB1 H 1 1.562 0.05 . 1 . . . . 2 A HB1 . 17853 1 7 . 1 1 2 2 ALA HB2 H 1 1.562 0.05 . 1 . . . . 2 A HB2 . 17853 1 8 . 1 1 2 2 ALA HB3 H 1 1.562 0.05 . 1 . . . . 2 A HB3 . 17853 1 9 . 1 1 2 2 ALA C C 13 179.187 0.4 . 1 . . . . 2 A C . 17853 1 10 . 1 1 2 2 ALA CA C 13 55.944 0.4 . 1 . . . . 2 A CA . 17853 1 11 . 1 1 2 2 ALA CB C 13 18.178 0.4 . 1 . . . . 2 A CB . 17853 1 12 . 1 1 2 2 ALA N N 15 124.582 0.1 . 1 . . . . 2 A N . 17853 1 13 . 1 1 3 3 ASP H H 1 8.760 0.05 . 1 . . . . 3 D HN . 17853 1 14 . 1 1 3 3 ASP HA H 1 4.735 0.05 . 1 . . . . 3 D HA . 17853 1 15 . 1 1 3 3 ASP HB2 H 1 2.871 0.05 . 1 . . . . 3 D HB1 . 17853 1 16 . 1 1 3 3 ASP HB3 H 1 2.718 0.05 . 1 . . . . 3 D HB2 . 17853 1 17 . 1 1 3 3 ASP C C 13 175.927 0.4 . 1 . . . . 3 D C . 17853 1 18 . 1 1 3 3 ASP CA C 13 56.217 0.4 . 1 . . . . 3 D CA . 17853 1 19 . 1 1 3 3 ASP CB C 13 40.174 0.4 . 1 . . . . 3 D CB . 17853 1 20 . 1 1 3 3 ASP N N 15 114.650 0.1 . 1 . . . . 3 D N . 17853 1 21 . 1 1 4 4 ASP H H 1 7.866 0.05 . 1 . . . . 4 D HN . 17853 1 22 . 1 1 4 4 ASP HA H 1 4.638 0.05 . 1 . . . . 4 D HA . 17853 1 23 . 1 1 4 4 ASP HB2 H 1 2.810 0.05 . 1 . . . . 4 D HB1 . 17853 1 24 . 1 1 4 4 ASP C C 13 176.965 0.4 . 1 . . . . 4 D C . 17853 1 25 . 1 1 4 4 ASP CA C 13 56.353 0.4 . 1 . . . . 4 D CA . 17853 1 26 . 1 1 4 4 ASP CB C 13 41.780 0.4 . 1 . . . . 4 D CB . 17853 1 27 . 1 1 4 4 ASP N N 15 115.046 0.1 . 1 . . . . 4 D N . 17853 1 28 . 1 1 5 5 VAL H H 1 7.685 0.05 . 1 . . . . 5 V HN . 17853 1 29 . 1 1 5 5 VAL HA H 1 4.680 0.05 . 1 . . . . 5 V HA . 17853 1 30 . 1 1 5 5 VAL HB H 1 2.369 0.05 . 1 . . . . 5 V HB . 17853 1 31 . 1 1 5 5 VAL HG11 H 1 1.040 0.05 . 2 . . . . 5 V HG11 . 17853 1 32 . 1 1 5 5 VAL HG12 H 1 1.040 0.05 . 2 . . . . 5 V HG12 . 17853 1 33 . 1 1 5 5 VAL HG13 H 1 1.040 0.05 . 2 . . . . 5 V HG13 . 17853 1 34 . 1 1 5 5 VAL HG21 H 1 0.859 0.05 . 2 . . . . 5 V HG21 . 17853 1 35 . 1 1 5 5 VAL HG22 H 1 0.859 0.05 . 2 . . . . 5 V HG22 . 17853 1 36 . 1 1 5 5 VAL HG23 H 1 0.859 0.05 . 2 . . . . 5 V HG23 . 17853 1 37 . 1 1 5 5 VAL C C 13 174.200 0.4 . 1 . . . . 5 V C . 17853 1 38 . 1 1 5 5 VAL CA C 13 61.869 0.4 . 1 . . . . 5 V CA . 17853 1 39 . 1 1 5 5 VAL CB C 13 34.081 0.4 . 1 . . . . 5 V CB . 17853 1 40 . 1 1 5 5 VAL CG1 C 13 20.200 0.4 . 2 . . . . 5 V CG1 . 17853 1 41 . 1 1 5 5 VAL CG2 C 13 22.400 0.4 . 2 . . . . 5 V CG2 . 17853 1 42 . 1 1 5 5 VAL N N 15 107.869 0.1 . 1 . . . . 5 V N . 17853 1 43 . 1 1 6 6 VAL H H 1 8.411 0.05 . 1 . . . . 6 V HN . 17853 1 44 . 1 1 6 6 VAL HA H 1 4.842 0.05 . 1 . . . . 6 V HA . 17853 1 45 . 1 1 6 6 VAL HB H 1 2.048 0.05 . 1 . . . . 6 V HB . 17853 1 46 . 1 1 6 6 VAL HG11 H 1 0.938 0.05 . 2 . . . . 6 V HG11 . 17853 1 47 . 1 1 6 6 VAL HG12 H 1 0.938 0.05 . 2 . . . . 6 V HG12 . 17853 1 48 . 1 1 6 6 VAL HG13 H 1 0.938 0.05 . 2 . . . . 6 V HG13 . 17853 1 49 . 1 1 6 6 VAL HG21 H 1 0.907 0.05 . 2 . . . . 6 V HG21 . 17853 1 50 . 1 1 6 6 VAL HG22 H 1 0.907 0.05 . 2 . . . . 6 V HG22 . 17853 1 51 . 1 1 6 6 VAL HG23 H 1 0.907 0.05 . 2 . . . . 6 V HG23 . 17853 1 52 . 1 1 6 6 VAL C C 13 175.259 0.4 . 1 . . . . 6 V C . 17853 1 53 . 1 1 6 6 VAL CA C 13 61.100 0.4 . 1 . . . . 6 V CA . 17853 1 54 . 1 1 6 6 VAL CB C 13 34.153 0.4 . 1 . . . . 6 V CB . 17853 1 55 . 1 1 6 6 VAL CG1 C 13 21.800 0.4 . 2 . . . . 6 V CG1 . 17853 1 56 . 1 1 6 6 VAL CG2 C 13 21.800 0.4 . 2 . . . . 6 V CG2 . 17853 1 57 . 1 1 6 6 VAL N N 15 122.955 0.1 . 1 . . . . 6 V N . 17853 1 58 . 1 1 7 7 ASP H H 1 9.148 0.05 . 1 . . . . 7 D HN . 17853 1 59 . 1 1 7 7 ASP HA H 1 4.943 0.05 . 1 . . . . 7 D HA . 17853 1 60 . 1 1 7 7 ASP HB2 H 1 2.956 0.05 . 1 . . . . 7 D HB1 . 17853 1 61 . 1 1 7 7 ASP HB3 H 1 2.164 0.05 . 1 . . . . 7 D HB2 . 17853 1 62 . 1 1 7 7 ASP C C 13 177.899 0.4 . 1 . . . . 7 D C . 17853 1 63 . 1 1 7 7 ASP CA C 13 51.656 0.4 . 1 . . . . 7 D CA . 17853 1 64 . 1 1 7 7 ASP CB C 13 40.658 0.4 . 1 . . . . 7 D CB . 17853 1 65 . 1 1 7 7 ASP N N 15 125.025 0.1 . 1 . . . . 7 D N . 17853 1 66 . 1 1 8 8 SER H H 1 9.305 0.05 . 1 . . . . 8 S HN . 17853 1 67 . 1 1 8 8 SER HA H 1 4.138 0.05 . 1 . . . . 8 S HA . 17853 1 68 . 1 1 8 8 SER C C 13 176.264 0.4 . 1 . . . . 8 S C . 17853 1 69 . 1 1 8 8 SER CA C 13 62.654 0.4 . 1 . . . . 8 S CA . 17853 1 70 . 1 1 8 8 SER CB C 13 62.842 0.4 . 1 . . . . 8 S CB . 17853 1 71 . 1 1 8 8 SER N N 15 125.042 0.1 . 1 . . . . 8 S N . 17853 1 72 . 1 1 9 9 SER H H 1 8.523 0.05 . 1 . . . . 9 S HN . 17853 1 73 . 1 1 9 9 SER HA H 1 4.556 0.05 . 1 . . . . 9 S HA . 17853 1 74 . 1 1 9 9 SER HB2 H 1 4.124 0.05 . 1 . . . . 9 S HB1 . 17853 1 75 . 1 1 9 9 SER C C 13 175.375 0.4 . 1 . . . . 9 S C . 17853 1 76 . 1 1 9 9 SER CA C 13 61.085 0.4 . 1 . . . . 9 S CA . 17853 1 77 . 1 1 9 9 SER CB C 13 63.402 0.4 . 1 . . . . 9 S CB . 17853 1 78 . 1 1 9 9 SER N N 15 118.186 0.1 . 1 . . . . 9 S N . 17853 1 79 . 1 1 10 10 LYS H H 1 7.074 0.05 . 1 . . . . 10 K HN . 17853 1 80 . 1 1 10 10 LYS HA H 1 4.710 0.05 . 1 . . . . 10 K HA . 17853 1 81 . 1 1 10 10 LYS HB2 H 1 2.275 0.05 . 1 . . . . 10 K HB1 . 17853 1 82 . 1 1 10 10 LYS HB3 H 1 1.287 0.05 . 1 . . . . 10 K HB2 . 17853 1 83 . 1 1 10 10 LYS HG2 H 1 1.132 0.05 . 2 . . . . 10 K HG1 . 17853 1 84 . 1 1 10 10 LYS HD2 H 1 1.750 0.05 . 2 . . . . 10 K HD1 . 17853 1 85 . 1 1 10 10 LYS C C 13 175.181 0.4 . 1 . . . . 10 K C . 17853 1 86 . 1 1 10 10 LYS CA C 13 55.812 0.4 . 1 . . . . 10 K CA . 17853 1 87 . 1 1 10 10 LYS CB C 13 34.081 0.4 . 1 . . . . 10 K CB . 17853 1 88 . 1 1 10 10 LYS CG C 13 25.400 0.4 . 1 . . . . 10 K CG . 17853 1 89 . 1 1 10 10 LYS CD C 13 31.700 0.4 . 1 . . . . 10 K CD . 17853 1 90 . 1 1 10 10 LYS N N 15 120.671 0.1 . 1 . . . . 10 K N . 17853 1 91 . 1 1 11 11 SER H H 1 7.247 0.05 . 1 . . . . 11 S HN . 17853 1 92 . 1 1 11 11 SER HA H 1 4.976 0.05 . 1 . . . . 11 S HA . 17853 1 93 . 1 1 11 11 SER HB2 H 1 4.030 0.05 . 1 . . . . 11 S HB1 . 17853 1 94 . 1 1 11 11 SER C C 13 172.934 0.4 . 1 . . . . 11 S C . 17853 1 95 . 1 1 11 11 SER CA C 13 59.189 0.4 . 1 . . . . 11 S CA . 17853 1 96 . 1 1 11 11 SER CB C 13 65.191 0.4 . 1 . . . . 11 S CB . 17853 1 97 . 1 1 11 11 SER N N 15 116.570 0.1 . 1 . . . . 11 S N . 17853 1 98 . 1 1 12 12 PHE H H 1 9.093 0.05 . 1 . . . . 12 F HN . 17853 1 99 . 1 1 12 12 PHE HA H 1 4.318 0.05 . 1 . . . . 12 F HA . 17853 1 100 . 1 1 12 12 PHE HB2 H 1 3.022 0.05 . 2 . . . . 12 F HB1 . 17853 1 101 . 1 1 12 12 PHE C C 13 176.182 0.4 . 1 . . . . 12 F C . 17853 1 102 . 1 1 12 12 PHE CA C 13 61.266 0.4 . 1 . . . . 12 F CA . 17853 1 103 . 1 1 12 12 PHE CB C 13 34.235 0.4 . 1 . . . . 12 F CB . 17853 1 104 . 1 1 12 12 PHE N N 15 122.925 0.1 . 1 . . . . 12 F N . 17853 1 105 . 1 1 13 13 VAL H H 1 9.228 0.05 . 1 . . . . 13 V HN . 17853 1 106 . 1 1 13 13 VAL HA H 1 5.587 0.05 . 1 . . . . 13 V HA . 17853 1 107 . 1 1 13 13 VAL HB H 1 1.963 0.05 . 1 . . . . 13 V HB . 17853 1 108 . 1 1 13 13 VAL HG11 H 1 0.853 0.05 . 2 . . . . 13 V HG11 . 17853 1 109 . 1 1 13 13 VAL HG12 H 1 0.853 0.05 . 2 . . . . 13 V HG12 . 17853 1 110 . 1 1 13 13 VAL HG13 H 1 0.853 0.05 . 2 . . . . 13 V HG13 . 17853 1 111 . 1 1 13 13 VAL HG21 H 1 0.740 0.05 . 2 . . . . 13 V HG21 . 17853 1 112 . 1 1 13 13 VAL HG22 H 1 0.740 0.05 . 2 . . . . 13 V HG22 . 17853 1 113 . 1 1 13 13 VAL HG23 H 1 0.740 0.05 . 2 . . . . 13 V HG23 . 17853 1 114 . 1 1 13 13 VAL C C 13 175.744 0.4 . 1 . . . . 13 V C . 17853 1 115 . 1 1 13 13 VAL CA C 13 57.585 0.4 . 1 . . . . 13 V CA . 17853 1 116 . 1 1 13 13 VAL CB C 13 32.930 0.4 . 1 . . . . 13 V CB . 17853 1 117 . 1 1 13 13 VAL CG1 C 13 22.600 0.4 . 2 . . . . 13 V CG1 . 17853 1 118 . 1 1 13 13 VAL CG2 C 13 19.100 0.4 . 2 . . . . 13 V CG2 . 17853 1 119 . 1 1 13 13 VAL N N 15 121.653 0.1 . 1 . . . . 13 V N . 17853 1 120 . 1 1 14 14 MET H H 1 7.885 0.05 . 1 . . . . 14 M HN . 17853 1 121 . 1 1 14 14 MET HA H 1 4.476 0.05 . 1 . . . . 14 M HA . 17853 1 122 . 1 1 14 14 MET CA C 13 54.308 0.4 . 1 . . . . 14 M CA . 17853 1 123 . 1 1 14 14 MET CB C 13 31.837 0.4 . 1 . . . . 14 M CB . 17853 1 124 . 1 1 14 14 MET N N 15 125.252 0.1 . 1 . . . . 14 M N . 17853 1 125 . 1 1 15 15 GLU HA H 1 5.014 0.05 . 1 . . . . 15 E HA . 17853 1 126 . 1 1 15 15 GLU HB2 H 1 1.990 0.05 . 1 . . . . 15 E HB1 . 17853 1 127 . 1 1 15 15 GLU HB3 H 1 1.902 0.05 . 1 . . . . 15 E HB2 . 17853 1 128 . 1 1 15 15 GLU HG2 H 1 2.374 0.05 . 2 . . . . 15 E HG1 . 17853 1 129 . 1 1 15 15 GLU C C 13 176.293 0.4 . 1 . . . . 15 E C . 17853 1 130 . 1 1 15 15 GLU CA C 13 54.724 0.4 . 1 . . . . 15 E CA . 17853 1 131 . 1 1 15 15 GLU CB C 13 30.585 0.4 . 1 . . . . 15 E CB . 17853 1 132 . 1 1 15 15 GLU CG C 13 37.100 0.4 . 1 . . . . 15 E CG . 17853 1 133 . 1 1 16 16 ASN H H 1 8.575 0.05 . 1 . . . . 16 N HN . 17853 1 134 . 1 1 16 16 ASN HA H 1 5.002 0.05 . 1 . . . . 16 N HA . 17853 1 135 . 1 1 16 16 ASN HB2 H 1 2.983 0.05 . 1 . . . . 16 N HB1 . 17853 1 136 . 1 1 16 16 ASN HB3 H 1 2.754 0.05 . 1 . . . . 16 N HB2 . 17853 1 137 . 1 1 16 16 ASN HD21 H 1 7.735 0.05 . 2 . . . . 16 N HD21 . 17853 1 138 . 1 1 16 16 ASN HD22 H 1 7.083 0.05 . 2 . . . . 16 N HD22 . 17853 1 139 . 1 1 16 16 ASN C C 13 174.666 0.4 . 1 . . . . 16 N C . 17853 1 140 . 1 1 16 16 ASN CA C 13 54.251 0.4 . 1 . . . . 16 N CA . 17853 1 141 . 1 1 16 16 ASN CB C 13 37.075 0.4 . 1 . . . . 16 N CB . 17853 1 142 . 1 1 16 16 ASN N N 15 121.664 0.1 . 1 . . . . 16 N N . 17853 1 143 . 1 1 16 16 ASN ND2 N 15 114.443 0.1 . 1 . . . . 16 N ND2 . 17853 1 144 . 1 1 17 17 PHE H H 1 8.857 0.05 . 1 . . . . 17 F HN . 17853 1 145 . 1 1 17 17 PHE HA H 1 4.484 0.05 . 1 . . . . 17 F HA . 17853 1 146 . 1 1 17 17 PHE HB2 H 1 3.110 0.05 . 1 . . . . 17 F HB1 . 17853 1 147 . 1 1 17 17 PHE HB3 H 1 2.948 0.05 . 1 . . . . 17 F HB2 . 17853 1 148 . 1 1 17 17 PHE C C 13 174.655 0.4 . 1 . . . . 17 F C . 17853 1 149 . 1 1 17 17 PHE CA C 13 59.528 0.4 . 1 . . . . 17 F CA . 17853 1 150 . 1 1 17 17 PHE CB C 13 39.506 0.4 . 1 . . . . 17 F CB . 17853 1 151 . 1 1 17 17 PHE N N 15 118.666 0.1 . 1 . . . . 17 F N . 17853 1 152 . 1 1 18 18 SER H H 1 7.996 0.05 . 1 . . . . 18 S HN . 17853 1 153 . 1 1 18 18 SER HA H 1 5.340 0.05 . 1 . . . . 18 S HA . 17853 1 154 . 1 1 18 18 SER HB2 H 1 3.516 0.05 . 1 . . . . 18 S HB1 . 17853 1 155 . 1 1 18 18 SER HB3 H 1 3.436 0.05 . 1 . . . . 18 S HB2 . 17853 1 156 . 1 1 18 18 SER C C 13 171.512 0.4 . 1 . . . . 18 S C . 17853 1 157 . 1 1 18 18 SER CA C 13 55.959 0.4 . 1 . . . . 18 S CA . 17853 1 158 . 1 1 18 18 SER CB C 13 66.848 0.4 . 1 . . . . 18 S CB . 17853 1 159 . 1 1 18 18 SER N N 15 125.458 0.1 . 1 . . . . 18 S N . 17853 1 160 . 1 1 19 19 SER H H 1 8.272 0.05 . 1 . . . . 19 S HN . 17853 1 161 . 1 1 19 19 SER HA H 1 4.234 0.05 . 1 . . . . 19 S HA . 17853 1 162 . 1 1 19 19 SER HB2 H 1 3.638 0.05 . 1 . . . . 19 S HB1 . 17853 1 163 . 1 1 19 19 SER C C 13 171.425 0.4 . 1 . . . . 19 S C . 17853 1 164 . 1 1 19 19 SER CA C 13 57.780 0.4 . 1 . . . . 19 S CA . 17853 1 165 . 1 1 19 19 SER CB C 13 64.405 0.4 . 1 . . . . 19 S CB . 17853 1 166 . 1 1 19 19 SER N N 15 112.869 0.1 . 1 . . . . 19 S N . 17853 1 167 . 1 1 20 20 TYR H H 1 9.689 0.05 . 1 . . . . 20 Y HN . 17853 1 168 . 1 1 20 20 TYR HA H 1 5.724 0.05 . 1 . . . . 20 Y HA . 17853 1 169 . 1 1 20 20 TYR HB2 H 1 2.571 0.05 . 1 . . . . 20 Y HB1 . 17853 1 170 . 1 1 20 20 TYR C C 13 174.882 0.4 . 1 . . . . 20 Y C . 17853 1 171 . 1 1 20 20 TYR CA C 13 57.677 0.4 . 1 . . . . 20 Y CA . 17853 1 172 . 1 1 20 20 TYR CB C 13 42.276 0.4 . 1 . . . . 20 Y CB . 17853 1 173 . 1 1 20 20 TYR N N 15 114.695 0.1 . 1 . . . . 20 Y N . 17853 1 174 . 1 1 21 21 HIS H H 1 9.401 0.05 . 1 . . . . 21 H HN . 17853 1 175 . 1 1 21 21 HIS HA H 1 5.221 0.05 . 1 . . . . 21 H HA . 17853 1 176 . 1 1 21 21 HIS HB2 H 1 3.167 0.05 . 2 . . . . 21 H HB1 . 17853 1 177 . 1 1 21 21 HIS C C 13 181.677 0.4 . 1 . . . . 21 H C . 17853 1 178 . 1 1 21 21 HIS CA C 13 54.702 0.4 . 1 . . . . 21 H CA . 17853 1 179 . 1 1 21 21 HIS CB C 13 32.774 0.4 . 1 . . . . 21 H CB . 17853 1 180 . 1 1 21 21 HIS N N 15 119.481 0.1 . 1 . . . . 21 H N . 17853 1 181 . 1 1 22 22 GLY H H 1 7.861 0.05 . 1 . . . . 22 G HN . 17853 1 182 . 1 1 22 22 GLY HA2 H 1 4.838 0.05 . 1 . . . . 22 G HA1 . 17853 1 183 . 1 1 22 22 GLY C C 13 176.851 0.4 . 1 . . . . 22 G C . 17853 1 184 . 1 1 22 22 GLY CA C 13 45.198 0.4 . 1 . . . . 22 G CA . 17853 1 185 . 1 1 22 22 GLY N N 15 114.076 0.1 . 1 . . . . 22 G N . 17853 1 186 . 1 1 23 23 THR H H 1 8.731 0.05 . 1 . . . . 23 T HN . 17853 1 187 . 1 1 23 23 THR HA H 1 5.780 0.05 . 1 . . . . 23 T HA . 17853 1 188 . 1 1 23 23 THR HB H 1 3.918 0.05 . 1 . . . . 23 T HB . 17853 1 189 . 1 1 23 23 THR CA C 13 56.258 0.4 . 1 . . . . 23 T CA . 17853 1 190 . 1 1 23 23 THR CB C 13 66.948 0.4 . 1 . . . . 23 T CB . 17853 1 191 . 1 1 23 23 THR N N 15 116.201 0.1 . 1 . . . . 23 T N . 17853 1 192 . 1 1 25 25 PRO HA H 1 4.196 0.05 . 1 . . . . 25 P HA . 17853 1 193 . 1 1 25 25 PRO HB2 H 1 2.118 0.05 . 1 . . . . 25 P HB1 . 17853 1 194 . 1 1 25 25 PRO HG2 H 1 2.302 0.05 . 2 . . . . 25 P HG1 . 17853 1 195 . 1 1 25 25 PRO HD2 H 1 3.656 0.05 . 2 . . . . 25 P HD1 . 17853 1 196 . 1 1 25 25 PRO C C 13 176.646 0.4 . 1 . . . . 25 P C . 17853 1 197 . 1 1 25 25 PRO CA C 13 62.465 0.4 . 1 . . . . 25 P CA . 17853 1 198 . 1 1 25 25 PRO CB C 13 32.610 0.4 . 1 . . . . 25 P CB . 17853 1 199 . 1 1 25 25 PRO CG C 13 28.400 0.4 . 1 . . . . 25 P CG . 17853 1 200 . 1 1 25 25 PRO CD C 13 50.800 0.4 . 1 . . . . 25 P CD . 17853 1 201 . 1 1 26 26 GLY H H 1 8.503 0.05 . 1 . . . . 26 G HN . 17853 1 202 . 1 1 26 26 GLY HA2 H 1 3.926 0.05 . 1 . . . . 26 G HA1 . 17853 1 203 . 1 1 26 26 GLY C C 13 173.885 0.4 . 1 . . . . 26 G C . 17853 1 204 . 1 1 26 26 GLY CA C 13 45.318 0.4 . 1 . . . . 26 G CA . 17853 1 205 . 1 1 26 26 GLY N N 15 112.085 0.1 . 1 . . . . 26 G N . 17853 1 206 . 1 1 27 27 TYR H H 1 8.011 0.05 . 1 . . . . 27 Y HN . 17853 1 207 . 1 1 27 27 TYR HA H 1 4.696 0.05 . 1 . . . . 27 Y HA . 17853 1 208 . 1 1 27 27 TYR HB2 H 1 3.145 0.05 . 1 . . . . 27 Y HB1 . 17853 1 209 . 1 1 27 27 TYR C C 13 174.480 0.4 . 1 . . . . 27 Y C . 17853 1 210 . 1 1 27 27 TYR CA C 13 58.038 0.4 . 1 . . . . 27 Y CA . 17853 1 211 . 1 1 27 27 TYR CB C 13 39.483 0.4 . 1 . . . . 27 Y CB . 17853 1 212 . 1 1 27 27 TYR N N 15 120.075 0.1 . 1 . . . . 27 Y N . 17853 1 213 . 1 1 28 28 VAL H H 1 8.008 0.05 . 1 . . . . 28 V HN . 17853 1 214 . 1 1 28 28 VAL HA H 1 4.540 0.05 . 1 . . . . 28 V HA . 17853 1 215 . 1 1 28 28 VAL HB H 1 1.834 0.05 . 1 . . . . 28 V HB . 17853 1 216 . 1 1 28 28 VAL HG11 H 1 0.943 0.05 . 2 . . . . 28 V HG11 . 17853 1 217 . 1 1 28 28 VAL HG12 H 1 0.943 0.05 . 2 . . . . 28 V HG12 . 17853 1 218 . 1 1 28 28 VAL HG13 H 1 0.943 0.05 . 2 . . . . 28 V HG13 . 17853 1 219 . 1 1 28 28 VAL HG21 H 1 0.904 0.05 . 2 . . . . 28 V HG21 . 17853 1 220 . 1 1 28 28 VAL HG22 H 1 0.904 0.05 . 2 . . . . 28 V HG22 . 17853 1 221 . 1 1 28 28 VAL HG23 H 1 0.904 0.05 . 2 . . . . 28 V HG23 . 17853 1 222 . 1 1 28 28 VAL C C 13 183.949 0.4 . 1 . . . . 28 V C . 17853 1 223 . 1 1 28 28 VAL CA C 13 62.268 0.4 . 1 . . . . 28 V CA . 17853 1 224 . 1 1 28 28 VAL CB C 13 32.416 0.4 . 1 . . . . 28 V CB . 17853 1 225 . 1 1 28 28 VAL CG1 C 13 23.700 0.4 . 2 . . . . 28 V CG1 . 17853 1 226 . 1 1 28 28 VAL CG2 C 13 23.700 0.4 . 2 . . . . 28 V CG2 . 17853 1 227 . 1 1 28 28 VAL N N 15 121.831 0.1 . 1 . . . . 28 V N . 17853 1 228 . 1 1 29 29 ASP H H 1 10.052 0.05 . 1 . . . . 29 D HN . 17853 1 229 . 1 1 29 29 ASP HA H 1 4.580 0.05 . 1 . . . . 29 D HA . 17853 1 230 . 1 1 29 29 ASP HB2 H 1 2.861 0.05 . 2 . . . . 29 D HB1 . 17853 1 231 . 1 1 29 29 ASP C C 13 179.028 0.4 . 1 . . . . 29 D C . 17853 1 232 . 1 1 29 29 ASP CA C 13 56.258 0.4 . 1 . . . . 29 D CA . 17853 1 233 . 1 1 29 29 ASP CB C 13 38.859 0.4 . 1 . . . . 29 D CB . 17853 1 234 . 1 1 29 29 ASP N N 15 127.523 0.1 . 1 . . . . 29 D N . 17853 1 235 . 1 1 30 30 SER H H 1 8.237 0.05 . 1 . . . . 30 S HN . 17853 1 236 . 1 1 30 30 SER HA H 1 4.320 0.05 . 1 . . . . 30 S HA . 17853 1 237 . 1 1 30 30 SER HB2 H 1 4.311 0.05 . 2 . . . . 30 S HB1 . 17853 1 238 . 1 1 30 30 SER CA C 13 61.057 0.4 . 1 . . . . 30 S CA . 17853 1 239 . 1 1 30 30 SER CB C 13 63.109 0.4 . 1 . . . . 30 S CB . 17853 1 240 . 1 1 30 30 SER N N 15 114.439 0.1 . 1 . . . . 30 S N . 17853 1 241 . 1 1 32 32 GLN HA H 1 4.364 0.05 . 1 . . . . 32 Q HA . 17853 1 242 . 1 1 32 32 GLN HB2 H 1 2.266 0.05 . 1 . . . . 32 Q HB1 . 17853 1 243 . 1 1 32 32 GLN C C 13 176.929 0.4 . 1 . . . . 32 Q C . 17853 1 244 . 1 1 32 32 GLN CA C 13 62.705 0.4 . 1 . . . . 32 Q CA . 17853 1 245 . 1 1 32 32 GLN CB C 13 31.473 0.4 . 1 . . . . 32 Q CB . 17853 1 246 . 1 1 33 33 LYS H H 1 8.500 0.05 . 1 . . . . 33 K HN . 17853 1 247 . 1 1 33 33 LYS HA H 1 4.123 0.05 . 1 . . . . 33 K HA . 17853 1 248 . 1 1 33 33 LYS HB2 H 1 1.730 0.05 . 1 . . . . 33 K HB1 . 17853 1 249 . 1 1 33 33 LYS HG2 H 1 1.513 0.05 . 2 . . . . 33 K HG1 . 17853 1 250 . 1 1 33 33 LYS HD2 H 1 1.737 0.05 . 2 . . . . 33 K HD1 . 17853 1 251 . 1 1 33 33 LYS HE2 H 1 3.054 0.05 . 2 . . . . 33 K HE1 . 17853 1 252 . 1 1 33 33 LYS C C 13 177.007 0.4 . 1 . . . . 33 K C . 17853 1 253 . 1 1 33 33 LYS CA C 13 56.879 0.4 . 1 . . . . 33 K CA . 17853 1 254 . 1 1 33 33 LYS CB C 13 32.480 0.4 . 1 . . . . 33 K CB . 17853 1 255 . 1 1 33 33 LYS CG C 13 24.300 0.4 . 1 . . . . 33 K CG . 17853 1 256 . 1 1 33 33 LYS CD C 13 28.600 0.4 . 1 . . . . 33 K CD . 17853 1 257 . 1 1 33 33 LYS CE C 13 41.800 0.4 . 1 . . . . 33 K CE . 17853 1 258 . 1 1 33 33 LYS N N 15 121.711 0.1 . 1 . . . . 33 K N . 17853 1 259 . 1 1 34 34 GLY H H 1 7.345 0.05 . 1 . . . . 34 G HN . 17853 1 260 . 1 1 34 34 GLY HA2 H 1 3.739 0.05 . 1 . . . . 34 G HA1 . 17853 1 261 . 1 1 34 34 GLY C C 13 175.739 0.4 . 1 . . . . 34 G C . 17853 1 262 . 1 1 34 34 GLY CA C 13 45.035 0.4 . 1 . . . . 34 G CA . 17853 1 263 . 1 1 34 34 GLY N N 15 107.247 0.1 . 1 . . . . 34 G N . 17853 1 264 . 1 1 35 35 ILE H H 1 8.070 0.05 . 1 . . . . 35 I HN . 17853 1 265 . 1 1 35 35 ILE HA H 1 4.811 0.05 . 1 . . . . 35 I HA . 17853 1 266 . 1 1 35 35 ILE C C 13 175.656 0.4 . 1 . . . . 35 I C . 17853 1 267 . 1 1 35 35 ILE CA C 13 58.397 0.4 . 1 . . . . 35 I CA . 17853 1 268 . 1 1 35 35 ILE CB C 13 39.665 0.4 . 1 . . . . 35 I CB . 17853 1 269 . 1 1 35 35 ILE N N 15 118.707 0.1 . 1 . . . . 35 I N . 17853 1 270 . 1 1 36 36 GLN H H 1 8.181 0.05 . 1 . . . . 36 Q HN . 17853 1 271 . 1 1 36 36 GLN HA H 1 4.623 0.05 . 1 . . . . 36 Q HA . 17853 1 272 . 1 1 36 36 GLN HB2 H 1 2.084 0.05 . 2 . . . . 36 Q HB1 . 17853 1 273 . 1 1 36 36 GLN HG2 H 1 2.256 0.05 . 2 . . . . 36 Q HG1 . 17853 1 274 . 1 1 36 36 GLN C C 13 174.170 0.4 . 1 . . . . 36 Q C . 17853 1 275 . 1 1 36 36 GLN CA C 13 54.032 0.4 . 1 . . . . 36 Q CA . 17853 1 276 . 1 1 36 36 GLN CB C 13 31.796 0.4 . 1 . . . . 36 Q CB . 17853 1 277 . 1 1 36 36 GLN CG C 13 34.700 0.4 . 1 . . . . 36 Q CG . 17853 1 278 . 1 1 36 36 GLN N N 15 122.191 0.1 . 1 . . . . 36 Q N . 17853 1 279 . 1 1 37 37 LYS H H 1 8.412 0.05 . 1 . . . . 37 K HN . 17853 1 280 . 1 1 37 37 LYS CA C 13 54.542 0.4 . 1 . . . . 37 K CA . 17853 1 281 . 1 1 37 37 LYS CB C 13 32.462 0.4 . 1 . . . . 37 K CB . 17853 1 282 . 1 1 37 37 LYS N N 15 125.961 0.1 . 1 . . . . 37 K N . 17853 1 283 . 1 1 38 38 PRO HA H 1 4.187 0.05 . 1 . . . . 38 P HA . 17853 1 284 . 1 1 38 38 PRO HB2 H 1 2.159 0.05 . 2 . . . . 38 P HB1 . 17853 1 285 . 1 1 38 38 PRO C C 13 176.293 0.4 . 1 . . . . 38 P C . 17853 1 286 . 1 1 38 38 PRO CA C 13 62.500 0.4 . 1 . . . . 38 P CA . 17853 1 287 . 1 1 38 38 PRO CB C 13 32.618 0.4 . 1 . . . . 38 P CB . 17853 1 288 . 1 1 39 39 LYS H H 1 8.267 0.05 . 1 . . . . 39 K HN . 17853 1 289 . 1 1 39 39 LYS HA H 1 4.264 0.05 . 1 . . . . 39 K HA . 17853 1 290 . 1 1 39 39 LYS C C 13 177.236 0.4 . 1 . . . . 39 K C . 17853 1 291 . 1 1 39 39 LYS CA C 13 62.344 0.4 . 1 . . . . 39 K CA . 17853 1 292 . 1 1 39 39 LYS CB C 13 32.852 0.4 . 1 . . . . 39 K CB . 17853 1 293 . 1 1 39 39 LYS N N 15 124.205 0.1 . 1 . . . . 39 K N . 17853 1 294 . 1 1 40 40 SER H H 1 8.093 0.05 . 1 . . . . 40 S HN . 17853 1 295 . 1 1 40 40 SER HA H 1 4.188 0.05 . 1 . . . . 40 S HA . 17853 1 296 . 1 1 40 40 SER HB2 H 1 4.190 0.05 . 2 . . . . 40 S HB1 . 17853 1 297 . 1 1 40 40 SER CA C 13 66.792 0.4 . 1 . . . . 40 S CA . 17853 1 298 . 1 1 40 40 SER CB C 13 68.976 0.4 . 1 . . . . 40 S CB . 17853 1 299 . 1 1 40 40 SER N N 15 120.445 0.1 . 1 . . . . 40 S N . 17853 1 300 . 1 1 41 41 GLY HA2 H 1 4.218 0.05 . 1 . . . . 41 G HA1 . 17853 1 301 . 1 1 41 41 GLY HA3 H 1 4.046 0.05 . 1 . . . . 41 G HA2 . 17853 1 302 . 1 1 41 41 GLY C C 13 174.619 0.4 . 1 . . . . 41 G C . 17853 1 303 . 1 1 41 41 GLY CA C 13 45.288 0.4 . 1 . . . . 41 G CA . 17853 1 304 . 1 1 42 42 THR H H 1 8.177 0.05 . 1 . . . . 42 T HN . 17853 1 305 . 1 1 42 42 THR HA H 1 4.415 0.05 . 1 . . . . 42 T HA . 17853 1 306 . 1 1 42 42 THR HB H 1 4.307 0.05 . 1 . . . . 42 T HB . 17853 1 307 . 1 1 42 42 THR C C 13 174.956 0.4 . 1 . . . . 42 T C . 17853 1 308 . 1 1 42 42 THR CA C 13 62.366 0.4 . 1 . . . . 42 T CA . 17853 1 309 . 1 1 42 42 THR CB C 13 69.826 0.4 . 1 . . . . 42 T CB . 17853 1 310 . 1 1 42 42 THR N N 15 112.622 0.1 . 1 . . . . 42 T N . 17853 1 311 . 1 1 43 43 GLN H H 1 8.728 0.05 . 1 . . . . 43 Q HN . 17853 1 312 . 1 1 43 43 GLN HA H 1 4.458 0.05 . 1 . . . . 43 Q HA . 17853 1 313 . 1 1 43 43 GLN HB2 H 1 2.305 0.05 . 1 . . . . 43 Q HB1 . 17853 1 314 . 1 1 43 43 GLN HG2 H 1 2.131 0.05 . 2 . . . . 43 Q HG1 . 17853 1 315 . 1 1 43 43 GLN HE21 H 1 7.631 0.05 . 2 . . . . 43 Q HE21 . 17853 1 316 . 1 1 43 43 GLN HE22 H 1 7.057 0.05 . 2 . . . . 43 Q HE22 . 17853 1 317 . 1 1 43 43 GLN C C 13 176.199 0.4 . 1 . . . . 43 Q C . 17853 1 318 . 1 1 43 43 GLN CA C 13 56.150 0.4 . 1 . . . . 43 Q CA . 17853 1 319 . 1 1 43 43 GLN CB C 13 29.097 0.4 . 1 . . . . 43 Q CB . 17853 1 320 . 1 1 43 43 GLN CG C 13 34.700 0.4 . 1 . . . . 43 Q CG . 17853 1 321 . 1 1 43 43 GLN N N 15 121.423 0.1 . 1 . . . . 43 Q N . 17853 1 322 . 1 1 43 43 GLN NE2 N 15 111.542 0.1 . 1 . . . . 43 Q NE2 . 17853 1 323 . 1 1 44 44 GLY H H 1 8.453 0.05 . 1 . . . . 44 G HN . 17853 1 324 . 1 1 44 44 GLY HA2 H 1 3.997 0.05 . 1 . . . . 44 G HA1 . 17853 1 325 . 1 1 44 44 GLY C C 13 174.181 0.4 . 1 . . . . 44 G C . 17853 1 326 . 1 1 44 44 GLY CA C 13 45.515 0.4 . 1 . . . . 44 G CA . 17853 1 327 . 1 1 44 44 GLY N N 15 109.234 0.1 . 1 . . . . 44 G N . 17853 1 328 . 1 1 45 45 ASN H H 1 8.263 0.05 . 1 . . . . 45 N HN . 17853 1 329 . 1 1 45 45 ASN HA H 1 4.748 0.05 . 1 . . . . 45 N HA . 17853 1 330 . 1 1 45 45 ASN HB2 H 1 2.980 0.05 . 1 . . . . 45 N HB1 . 17853 1 331 . 1 1 45 45 ASN HB3 H 1 2.724 0.05 . 1 . . . . 45 N HB2 . 17853 1 332 . 1 1 45 45 ASN HD21 H 1 7.633 0.05 . 2 . . . . 45 N HD21 . 17853 1 333 . 1 1 45 45 ASN HD22 H 1 6.937 0.05 . 2 . . . . 45 N HD22 . 17853 1 334 . 1 1 45 45 ASN C C 13 174.559 0.4 . 1 . . . . 45 N C . 17853 1 335 . 1 1 45 45 ASN CA C 13 53.465 0.4 . 1 . . . . 45 N CA . 17853 1 336 . 1 1 45 45 ASN CB C 13 39.060 0.4 . 1 . . . . 45 N CB . 17853 1 337 . 1 1 45 45 ASN N N 15 118.497 0.1 . 1 . . . . 45 N N . 17853 1 338 . 1 1 45 45 ASN ND2 N 15 112.492 0.1 . 1 . . . . 45 N ND2 . 17853 1 339 . 1 1 46 46 TYR H H 1 8.092 0.05 . 1 . . . . 46 Y HN . 17853 1 340 . 1 1 46 46 TYR HA H 1 4.671 0.05 . 1 . . . . 46 Y HA . 17853 1 341 . 1 1 46 46 TYR HB2 H 1 3.230 0.05 . 1 . . . . 46 Y HB1 . 17853 1 342 . 1 1 46 46 TYR HB3 H 1 2.978 0.05 . 1 . . . . 46 Y HB2 . 17853 1 343 . 1 1 46 46 TYR C C 13 175.824 0.4 . 1 . . . . 46 Y C . 17853 1 344 . 1 1 46 46 TYR CA C 13 60.118 0.4 . 1 . . . . 46 Y CA . 17853 1 345 . 1 1 46 46 TYR CB C 13 39.415 0.4 . 1 . . . . 46 Y CB . 17853 1 346 . 1 1 46 46 TYR N N 15 120.478 0.1 . 1 . . . . 46 Y N . 17853 1 347 . 1 1 47 47 ASP H H 1 8.755 0.05 . 1 . . . . 47 D HN . 17853 1 348 . 1 1 47 47 ASP HA H 1 4.751 0.05 . 1 . . . . 47 D HA . 17853 1 349 . 1 1 47 47 ASP C C 13 177.607 0.4 . 1 . . . . 47 D C . 17853 1 350 . 1 1 47 47 ASP CA C 13 54.289 0.4 . 1 . . . . 47 D CA . 17853 1 351 . 1 1 47 47 ASP CB C 13 41.660 0.4 . 1 . . . . 47 D CB . 17853 1 352 . 1 1 47 47 ASP N N 15 121.669 0.1 . 1 . . . . 47 D N . 17853 1 353 . 1 1 48 48 ASP H H 1 8.180 0.05 . 1 . . . . 48 D HN . 17853 1 354 . 1 1 48 48 ASP HA H 1 4.471 0.05 . 1 . . . . 48 D HA . 17853 1 355 . 1 1 48 48 ASP HB2 H 1 2.754 0.05 . 1 . . . . 48 D HB1 . 17853 1 356 . 1 1 48 48 ASP C C 13 178.116 0.4 . 1 . . . . 48 D C . 17853 1 357 . 1 1 48 48 ASP CA C 13 57.241 0.4 . 1 . . . . 48 D CA . 17853 1 358 . 1 1 48 48 ASP CB C 13 41.188 0.4 . 1 . . . . 48 D CB . 17853 1 359 . 1 1 48 48 ASP N N 15 115.595 0.1 . 1 . . . . 48 D N . 17853 1 360 . 1 1 49 49 ASP H H 1 8.723 0.05 . 1 . . . . 49 D HN . 17853 1 361 . 1 1 49 49 ASP HA H 1 4.297 0.05 . 1 . . . . 49 D HA . 17853 1 362 . 1 1 49 49 ASP HB2 H 1 2.331 0.05 . 1 . . . . 49 D HB1 . 17853 1 363 . 1 1 49 49 ASP HB3 H 1 1.611 0.05 . 1 . . . . 49 D HB2 . 17853 1 364 . 1 1 49 49 ASP C C 13 176.265 0.4 . 1 . . . . 49 D C . 17853 1 365 . 1 1 49 49 ASP CA C 13 58.766 0.4 . 1 . . . . 49 D CA . 17853 1 366 . 1 1 49 49 ASP CB C 13 42.782 0.4 . 1 . . . . 49 D CB . 17853 1 367 . 1 1 49 49 ASP N N 15 117.747 0.1 . 1 . . . . 49 D N . 17853 1 368 . 1 1 50 50 TRP H H 1 7.851 0.05 . 1 . . . . 50 W HN . 17853 1 369 . 1 1 50 50 TRP HA H 1 4.892 0.05 . 1 . . . . 50 W HA . 17853 1 370 . 1 1 50 50 TRP HB2 H 1 3.816 0.05 . 1 . . . . 50 W HB1 . 17853 1 371 . 1 1 50 50 TRP HB3 H 1 2.924 0.05 . 1 . . . . 50 W HB2 . 17853 1 372 . 1 1 50 50 TRP C C 13 175.931 0.4 . 1 . . . . 50 W C . 17853 1 373 . 1 1 50 50 TRP CA C 13 55.144 0.4 . 1 . . . . 50 W CA . 17853 1 374 . 1 1 50 50 TRP CB C 13 30.035 0.4 . 1 . . . . 50 W CB . 17853 1 375 . 1 1 50 50 TRP N N 15 114.055 0.1 . 1 . . . . 50 W N . 17853 1 376 . 1 1 51 51 LYS H H 1 7.261 0.05 . 1 . . . . 51 K HN . 17853 1 377 . 1 1 51 51 LYS HA H 1 4.513 0.05 . 1 . . . . 51 K HA . 17853 1 378 . 1 1 51 51 LYS HB2 H 1 2.133 0.05 . 1 . . . . 51 K HB1 . 17853 1 379 . 1 1 51 51 LYS C C 13 175.589 0.4 . 1 . . . . 51 K C . 17853 1 380 . 1 1 51 51 LYS CA C 13 57.990 0.4 . 1 . . . . 51 K CA . 17853 1 381 . 1 1 51 51 LYS CB C 13 32.930 0.4 . 1 . . . . 51 K CB . 17853 1 382 . 1 1 51 51 LYS N N 15 122.236 0.1 . 1 . . . . 51 K N . 17853 1 383 . 1 1 52 52 GLY H H 1 7.872 0.05 . 1 . . . . 52 G HN . 17853 1 384 . 1 1 52 52 GLY HA2 H 1 4.628 0.05 . 1 . . . . 52 G HA1 . 17853 1 385 . 1 1 52 52 GLY C C 13 169.112 0.4 . 1 . . . . 52 G C . 17853 1 386 . 1 1 52 52 GLY CA C 13 44.148 0.4 . 1 . . . . 52 G CA . 17853 1 387 . 1 1 52 52 GLY N N 15 110.880 0.1 . 1 . . . . 52 G N . 17853 1 388 . 1 1 53 53 PHE H H 1 7.892 0.05 . 1 . . . . 53 F HN . 17853 1 389 . 1 1 53 53 PHE HA H 1 4.289 0.05 . 1 . . . . 53 F HA . 17853 1 390 . 1 1 53 53 PHE C C 13 175.653 0.4 . 1 . . . . 53 F C . 17853 1 391 . 1 1 53 53 PHE CA C 13 56.088 0.4 . 1 . . . . 53 F CA . 17853 1 392 . 1 1 53 53 PHE CB C 13 39.353 0.4 . 1 . . . . 53 F CB . 17853 1 393 . 1 1 53 53 PHE N N 15 119.768 0.1 . 1 . . . . 53 F N . 17853 1 394 . 1 1 54 54 TYR H H 1 8.948 0.05 . 1 . . . . 54 Y HN . 17853 1 395 . 1 1 54 54 TYR HA H 1 5.187 0.05 . 1 . . . . 54 Y HA . 17853 1 396 . 1 1 54 54 TYR HB2 H 1 2.929 0.05 . 1 . . . . 54 Y HB1 . 17853 1 397 . 1 1 54 54 TYR C C 13 174.245 0.4 . 1 . . . . 54 Y C . 17853 1 398 . 1 1 54 54 TYR CA C 13 58.017 0.4 . 1 . . . . 54 Y CA . 17853 1 399 . 1 1 54 54 TYR CB C 13 39.106 0.4 . 1 . . . . 54 Y CB . 17853 1 400 . 1 1 54 54 TYR N N 15 104.108 0.1 . 1 . . . . 54 Y N . 17853 1 401 . 1 1 55 55 SER H H 1 9.431 0.05 . 1 . . . . 55 S HN . 17853 1 402 . 1 1 55 55 SER HA H 1 5.120 0.05 . 1 . . . . 55 S HA . 17853 1 403 . 1 1 55 55 SER HB2 H 1 4.237 0.05 . 1 . . . . 55 S HB1 . 17853 1 404 . 1 1 55 55 SER C C 13 173.356 0.4 . 1 . . . . 55 S C . 17853 1 405 . 1 1 55 55 SER CA C 13 57.387 0.4 . 1 . . . . 55 S CA . 17853 1 406 . 1 1 55 55 SER CB C 13 66.279 0.4 . 1 . . . . 55 S CB . 17853 1 407 . 1 1 55 55 SER N N 15 118.888 0.1 . 1 . . . . 55 S N . 17853 1 408 . 1 1 56 56 THR H H 1 9.822 0.05 . 1 . . . . 56 T HN . 17853 1 409 . 1 1 56 56 THR HA H 1 5.768 0.05 . 1 . . . . 56 T HA . 17853 1 410 . 1 1 56 56 THR HB H 1 4.563 0.05 . 1 . . . . 56 T HB . 17853 1 411 . 1 1 56 56 THR HG21 H 1 1.348 0.05 . 1 . . . . 56 T HG21 . 17853 1 412 . 1 1 56 56 THR HG22 H 1 1.348 0.05 . 1 . . . . 56 T HG22 . 17853 1 413 . 1 1 56 56 THR HG23 H 1 1.348 0.05 . 1 . . . . 56 T HG23 . 17853 1 414 . 1 1 56 56 THR C C 13 173.662 0.4 . 1 . . . . 56 T C . 17853 1 415 . 1 1 56 56 THR CA C 13 59.835 0.4 . 1 . . . . 56 T CA . 17853 1 416 . 1 1 56 56 THR CB C 13 69.919 0.4 . 1 . . . . 56 T CB . 17853 1 417 . 1 1 56 56 THR CG2 C 13 22.100 0.4 . 1 . . . . 56 T CG2 . 17853 1 418 . 1 1 56 56 THR N N 15 113.536 0.1 . 1 . . . . 56 T N . 17853 1 419 . 1 1 57 57 ASP H H 1 9.097 0.05 . 1 . . . . 57 D HN . 17853 1 420 . 1 1 57 57 ASP HA H 1 5.144 0.05 . 1 . . . . 57 D HA . 17853 1 421 . 1 1 57 57 ASP HB2 H 1 3.200 0.05 . 1 . . . . 57 D HB1 . 17853 1 422 . 1 1 57 57 ASP C C 13 174.046 0.4 . 1 . . . . 57 D C . 17853 1 423 . 1 1 57 57 ASP CA C 13 55.198 0.4 . 1 . . . . 57 D CA . 17853 1 424 . 1 1 57 57 ASP CB C 13 41.039 0.4 . 1 . . . . 57 D CB . 17853 1 425 . 1 1 57 57 ASP N N 15 125.813 0.1 . 1 . . . . 57 D N . 17853 1 426 . 1 1 58 58 ASN H H 1 7.968 0.05 . 1 . . . . 58 N HN . 17853 1 427 . 1 1 58 58 ASN HA H 1 4.193 0.05 . 1 . . . . 58 N HA . 17853 1 428 . 1 1 58 58 ASN HB2 H 1 3.137 0.05 . 1 . . . . 58 N HB1 . 17853 1 429 . 1 1 58 58 ASN HB3 H 1 2.789 0.05 . 1 . . . . 58 N HB2 . 17853 1 430 . 1 1 58 58 ASN C C 13 175.017 0.4 . 1 . . . . 58 N C . 17853 1 431 . 1 1 58 58 ASN CA C 13 52.304 0.4 . 1 . . . . 58 N CA . 17853 1 432 . 1 1 58 58 ASN CB C 13 41.013 0.4 . 1 . . . . 58 N CB . 17853 1 433 . 1 1 58 58 ASN N N 15 119.697 0.1 . 1 . . . . 58 N N . 17853 1 434 . 1 1 59 59 LYS H H 1 8.295 0.05 . 1 . . . . 59 K HN . 17853 1 435 . 1 1 59 59 LYS HA H 1 3.305 0.05 . 1 . . . . 59 K HA . 17853 1 436 . 1 1 59 59 LYS C C 13 175.133 0.4 . 1 . . . . 59 K C . 17853 1 437 . 1 1 59 59 LYS CA C 13 58.711 0.4 . 1 . . . . 59 K CA . 17853 1 438 . 1 1 59 59 LYS CB C 13 30.622 0.4 . 1 . . . . 59 K CB . 17853 1 439 . 1 1 59 59 LYS N N 15 124.870 0.1 . 1 . . . . 59 K N . 17853 1 440 . 1 1 60 60 TYR H H 1 7.477 0.05 . 1 . . . . 60 Y HN . 17853 1 441 . 1 1 60 60 TYR HA H 1 4.297 0.05 . 1 . . . . 60 Y HA . 17853 1 442 . 1 1 60 60 TYR HB2 H 1 3.039 0.05 . 1 . . . . 60 Y HB1 . 17853 1 443 . 1 1 60 60 TYR C C 13 178.079 0.4 . 1 . . . . 60 Y C . 17853 1 444 . 1 1 60 60 TYR CA C 13 60.498 0.4 . 1 . . . . 60 Y CA . 17853 1 445 . 1 1 60 60 TYR CB C 13 36.643 0.4 . 1 . . . . 60 Y CB . 17853 1 446 . 1 1 60 60 TYR N N 15 120.505 0.1 . 1 . . . . 60 Y N . 17853 1 447 . 1 1 61 61 ASP H H 1 7.814 0.05 . 1 . . . . 61 D HN . 17853 1 448 . 1 1 61 61 ASP HA H 1 4.547 0.05 . 1 . . . . 61 D HA . 17853 1 449 . 1 1 61 61 ASP HB2 H 1 2.823 0.05 . 1 . . . . 61 D HB1 . 17853 1 450 . 1 1 61 61 ASP HB3 H 1 2.825 0.05 . 2 . . . . 61 D HB2 . 17853 1 451 . 1 1 61 61 ASP C C 13 178.796 0.4 . 1 . . . . 61 D C . 17853 1 452 . 1 1 61 61 ASP CA C 13 57.639 0.4 . 1 . . . . 61 D CA . 17853 1 453 . 1 1 61 61 ASP CB C 13 40.137 0.4 . 1 . . . . 61 D CB . 17853 1 454 . 1 1 61 61 ASP N N 15 119.356 0.1 . 1 . . . . 61 D N . 17853 1 455 . 1 1 62 62 ALA H H 1 7.859 0.05 . 1 . . . . 62 A HN . 17853 1 456 . 1 1 62 62 ALA HA H 1 4.139 0.05 . 1 . . . . 62 A HA . 17853 1 457 . 1 1 62 62 ALA HB1 H 1 1.396 0.05 . 1 . . . . 62 A HB1 . 17853 1 458 . 1 1 62 62 ALA HB2 H 1 1.396 0.05 . 1 . . . . 62 A HB2 . 17853 1 459 . 1 1 62 62 ALA HB3 H 1 1.396 0.05 . 1 . . . . 62 A HB3 . 17853 1 460 . 1 1 62 62 ALA C C 13 179.016 0.4 . 1 . . . . 62 A C . 17853 1 461 . 1 1 62 62 ALA CA C 13 54.837 0.4 . 1 . . . . 62 A CA . 17853 1 462 . 1 1 62 62 ALA CB C 13 18.370 0.4 . 1 . . . . 62 A CB . 17853 1 463 . 1 1 62 62 ALA N N 15 122.544 0.1 . 1 . . . . 62 A N . 17853 1 464 . 1 1 63 63 ALA H H 1 7.681 0.05 . 1 . . . . 63 A HN . 17853 1 465 . 1 1 63 63 ALA HA H 1 3.964 0.05 . 1 . . . . 63 A HA . 17853 1 466 . 1 1 63 63 ALA HB1 H 1 1.851 0.05 . 1 . . . . 63 A HB1 . 17853 1 467 . 1 1 63 63 ALA HB2 H 1 1.851 0.05 . 1 . . . . 63 A HB2 . 17853 1 468 . 1 1 63 63 ALA HB3 H 1 1.851 0.05 . 1 . . . . 63 A HB3 . 17853 1 469 . 1 1 63 63 ALA C C 13 179.798 0.4 . 1 . . . . 63 A C . 17853 1 470 . 1 1 63 63 ALA CA C 13 55.139 0.4 . 1 . . . . 63 A CA . 17853 1 471 . 1 1 63 63 ALA CB C 13 18.367 0.4 . 1 . . . . 63 A CB . 17853 1 472 . 1 1 63 63 ALA N N 15 117.525 0.1 . 1 . . . . 63 A N . 17853 1 473 . 1 1 64 64 GLY H H 1 7.867 0.05 . 1 . . . . 64 G HN . 17853 1 474 . 1 1 64 64 GLY HA2 H 1 4.014 0.05 . 1 . . . . 64 G HA1 . 17853 1 475 . 1 1 64 64 GLY C C 13 175.365 0.4 . 1 . . . . 64 G C . 17853 1 476 . 1 1 64 64 GLY CA C 13 46.975 0.4 . 1 . . . . 64 G CA . 17853 1 477 . 1 1 64 64 GLY N N 15 106.268 0.1 . 1 . . . . 64 G N . 17853 1 478 . 1 1 65 65 TYR H H 1 7.649 0.05 . 1 . . . . 65 Y HN . 17853 1 479 . 1 1 65 65 TYR HA H 1 4.688 0.05 . 1 . . . . 65 Y HA . 17853 1 480 . 1 1 65 65 TYR HB2 H 1 3.373 0.05 . 1 . . . . 65 Y HB1 . 17853 1 481 . 1 1 65 65 TYR HB3 H 1 3.030 0.05 . 1 . . . . 65 Y HB2 . 17853 1 482 . 1 1 65 65 TYR C C 13 176.313 0.4 . 1 . . . . 65 Y C . 17853 1 483 . 1 1 65 65 TYR CA C 13 56.290 0.4 . 1 . . . . 65 Y CA . 17853 1 484 . 1 1 65 65 TYR CB C 13 37.656 0.4 . 1 . . . . 65 Y CB . 17853 1 485 . 1 1 65 65 TYR N N 15 117.771 0.1 . 1 . . . . 65 Y N . 17853 1 486 . 1 1 66 66 SER H H 1 8.105 0.05 . 1 . . . . 66 S HN . 17853 1 487 . 1 1 66 66 SER HA H 1 4.326 0.05 . 1 . . . . 66 S HA . 17853 1 488 . 1 1 66 66 SER C C 13 174.481 0.4 . 1 . . . . 66 S C . 17853 1 489 . 1 1 66 66 SER CA C 13 58.089 0.4 . 1 . . . . 66 S CA . 17853 1 490 . 1 1 66 66 SER CB C 13 64.019 0.4 . 1 . . . . 66 S CB . 17853 1 491 . 1 1 66 66 SER N N 15 115.881 0.1 . 1 . . . . 66 S N . 17853 1 492 . 1 1 67 67 VAL H H 1 8.198 0.05 . 1 . . . . 67 V HN . 17853 1 493 . 1 1 67 67 VAL HA H 1 4.188 0.05 . 1 . . . . 67 V HA . 17853 1 494 . 1 1 67 67 VAL HB H 1 1.892 0.05 . 1 . . . . 67 V HB . 17853 1 495 . 1 1 67 67 VAL C C 13 175.960 0.4 . 1 . . . . 67 V C . 17853 1 496 . 1 1 67 67 VAL CA C 13 62.303 0.4 . 1 . . . . 67 V CA . 17853 1 497 . 1 1 67 67 VAL CB C 13 32.888 0.4 . 1 . . . . 67 V CB . 17853 1 498 . 1 1 67 67 VAL N N 15 121.516 0.1 . 1 . . . . 67 V N . 17853 1 499 . 1 1 68 68 ASP H H 1 8.457 0.05 . 1 . . . . 68 D HN . 17853 1 500 . 1 1 68 68 ASP HA H 1 4.669 0.05 . 1 . . . . 68 D HA . 17853 1 501 . 1 1 68 68 ASP HB2 H 1 2.776 0.05 . 1 . . . . 68 D HB1 . 17853 1 502 . 1 1 68 68 ASP HB3 H 1 2.654 0.05 . 1 . . . . 68 D HB2 . 17853 1 503 . 1 1 68 68 ASP C C 13 176.019 0.4 . 1 . . . . 68 D C . 17853 1 504 . 1 1 68 68 ASP CA C 13 54.519 0.4 . 1 . . . . 68 D CA . 17853 1 505 . 1 1 68 68 ASP CB C 13 41.211 0.4 . 1 . . . . 68 D CB . 17853 1 506 . 1 1 68 68 ASP N N 15 124.502 0.1 . 1 . . . . 68 D N . 17853 1 507 . 1 1 69 69 ASN H H 1 8.331 0.05 . 1 . . . . 69 N HN . 17853 1 508 . 1 1 69 69 ASN HA H 1 4.714 0.05 . 1 . . . . 69 N HA . 17853 1 509 . 1 1 69 69 ASN HB2 H 1 2.930 0.05 . 1 . . . . 69 N HB1 . 17853 1 510 . 1 1 69 69 ASN HB3 H 1 2.780 0.05 . 1 . . . . 69 N HB2 . 17853 1 511 . 1 1 69 69 ASN HD21 H 1 7.715 0.05 . 2 . . . . 69 N HD21 . 17853 1 512 . 1 1 69 69 ASN HD22 H 1 7.069 0.05 . 2 . . . . 69 N HD22 . 17853 1 513 . 1 1 69 69 ASN C C 13 175.974 0.4 . 1 . . . . 69 N C . 17853 1 514 . 1 1 69 69 ASN CA C 13 53.842 0.4 . 1 . . . . 69 N CA . 17853 1 515 . 1 1 69 69 ASN CB C 13 39.002 0.4 . 1 . . . . 69 N CB . 17853 1 516 . 1 1 69 69 ASN N N 15 119.130 0.1 . 1 . . . . 69 N N . 17853 1 517 . 1 1 69 69 ASN ND2 N 15 112.250 0.1 . 1 . . . . 69 N ND2 . 17853 1 518 . 1 1 70 70 GLU H H 1 8.527 0.05 . 1 . . . . 70 E HN . 17853 1 519 . 1 1 70 70 GLU HA H 1 4.309 0.05 . 1 . . . . 70 E HA . 17853 1 520 . 1 1 70 70 GLU HB2 H 1 2.193 0.05 . 1 . . . . 70 E HB1 . 17853 1 521 . 1 1 70 70 GLU C C 13 176.942 0.4 . 1 . . . . 70 E C . 17853 1 522 . 1 1 70 70 GLU CA C 13 55.854 0.4 . 1 . . . . 70 E CA . 17853 1 523 . 1 1 70 70 GLU CB C 13 30.115 0.4 . 1 . . . . 70 E CB . 17853 1 524 . 1 1 70 70 GLU N N 15 121.237 0.1 . 1 . . . . 70 E N . 17853 1 525 . 1 1 71 71 ASN H H 1 7.715 0.05 . 1 . . . . 71 N HN . 17853 1 526 . 1 1 71 71 ASN HA H 1 5.129 0.05 . 1 . . . . 71 N HA . 17853 1 527 . 1 1 71 71 ASN HB2 H 1 3.000 0.05 . 2 . . . . 71 N HB1 . 17853 1 528 . 1 1 71 71 ASN HB3 H 1 2.862 0.05 . 2 . . . . 71 N HB2 . 17853 1 529 . 1 1 71 71 ASN HD21 H 1 7.938 0.05 . 2 . . . . 71 N HD21 . 17853 1 530 . 1 1 71 71 ASN HD22 H 1 7.005 0.05 . 2 . . . . 71 N HD22 . 17853 1 531 . 1 1 71 71 ASN CA C 13 50.509 0.4 . 1 . . . . 71 N CA . 17853 1 532 . 1 1 71 71 ASN CB C 13 39.137 0.4 . 1 . . . . 71 N CB . 17853 1 533 . 1 1 71 71 ASN N N 15 114.969 0.1 . 1 . . . . 71 N N . 17853 1 534 . 1 1 71 71 ASN ND2 N 15 112.390 0.1 . 1 . . . . 71 N ND2 . 17853 1 535 . 1 1 72 72 PRO HA H 1 4.593 0.05 . 1 . . . . 72 P HA . 17853 1 536 . 1 1 72 72 PRO HB2 H 1 2.487 0.05 . 1 . . . . 72 P HB1 . 17853 1 537 . 1 1 72 72 PRO HB3 H 1 2.047 0.05 . 1 . . . . 72 P HB2 . 17853 1 538 . 1 1 72 72 PRO HG2 H 1 2.076 0.05 . 2 . . . . 72 P HG1 . 17853 1 539 . 1 1 72 72 PRO HD2 H 1 3.540 0.05 . 2 . . . . 72 P HD1 . 17853 1 540 . 1 1 72 72 PRO C C 13 178.132 0.4 . 1 . . . . 72 P C . 17853 1 541 . 1 1 72 72 PRO CA C 13 64.993 0.4 . 1 . . . . 72 P CA . 17853 1 542 . 1 1 72 72 PRO CB C 13 32.257 0.4 . 1 . . . . 72 P CB . 17853 1 543 . 1 1 72 72 PRO CG C 13 27.300 0.4 . 1 . . . . 72 P CG . 17853 1 544 . 1 1 72 72 PRO CD C 13 50.500 0.4 . 1 . . . . 72 P CD . 17853 1 545 . 1 1 73 73 LEU H H 1 7.995 0.05 . 1 . . . . 73 L HN . 17853 1 546 . 1 1 73 73 LEU HA H 1 4.485 0.05 . 1 . . . . 73 L HA . 17853 1 547 . 1 1 73 73 LEU HB2 H 1 1.803 0.05 . 1 . . . . 73 L HB1 . 17853 1 548 . 1 1 73 73 LEU HG H 1 1.321 0.05 . 1 . . . . 73 L HG . 17853 1 549 . 1 1 73 73 LEU HD11 H 1 0.761 0.05 . 2 . . . . 73 L HD11 . 17853 1 550 . 1 1 73 73 LEU HD12 H 1 0.761 0.05 . 2 . . . . 73 L HD12 . 17853 1 551 . 1 1 73 73 LEU HD13 H 1 0.761 0.05 . 2 . . . . 73 L HD13 . 17853 1 552 . 1 1 73 73 LEU HD21 H 1 0.904 0.05 . 2 . . . . 73 L HD21 . 17853 1 553 . 1 1 73 73 LEU HD22 H 1 0.904 0.05 . 2 . . . . 73 L HD22 . 17853 1 554 . 1 1 73 73 LEU HD23 H 1 0.904 0.05 . 2 . . . . 73 L HD23 . 17853 1 555 . 1 1 73 73 LEU C C 13 178.272 0.4 . 1 . . . . 73 L C . 17853 1 556 . 1 1 73 73 LEU CA C 13 55.082 0.4 . 1 . . . . 73 L CA . 17853 1 557 . 1 1 73 73 LEU CB C 13 43.055 0.4 . 1 . . . . 73 L CB . 17853 1 558 . 1 1 73 73 LEU CG C 13 26.200 0.4 . 1 . . . . 73 L CG . 17853 1 559 . 1 1 73 73 LEU CD1 C 13 24.300 0.4 . 2 . . . . 73 L CD1 . 17853 1 560 . 1 1 73 73 LEU CD2 C 13 25.400 0.4 . 2 . . . . 73 L CD2 . 17853 1 561 . 1 1 73 73 LEU N N 15 116.624 0.1 . 1 . . . . 73 L N . 17853 1 562 . 1 1 74 74 SER H H 1 8.320 0.05 . 1 . . . . 74 S HN . 17853 1 563 . 1 1 74 74 SER HA H 1 4.183 0.05 . 1 . . . . 74 S HA . 17853 1 564 . 1 1 74 74 SER HB2 H 1 4.420 0.05 . 2 . . . . 74 S HB1 . 17853 1 565 . 1 1 74 74 SER C C 13 175.981 0.4 . 1 . . . . 74 S C . 17853 1 566 . 1 1 74 74 SER CA C 13 60.014 0.4 . 1 . . . . 74 S CA . 17853 1 567 . 1 1 74 74 SER CB C 13 63.939 0.4 . 1 . . . . 74 S CB . 17853 1 568 . 1 1 74 74 SER N N 15 117.119 0.1 . 1 . . . . 74 S N . 17853 1 569 . 1 1 75 75 GLY H H 1 7.859 0.05 . 1 . . . . 75 G HN . 17853 1 570 . 1 1 75 75 GLY HA2 H 1 3.978 0.05 . 1 . . . . 75 G HA1 . 17853 1 571 . 1 1 75 75 GLY C C 13 170.822 0.4 . 1 . . . . 75 G C . 17853 1 572 . 1 1 75 75 GLY CA C 13 45.901 0.4 . 1 . . . . 75 G CA . 17853 1 573 . 1 1 75 75 GLY N N 15 108.568 0.1 . 1 . . . . 75 G N . 17853 1 574 . 1 1 76 76 LYS H H 1 8.732 0.05 . 1 . . . . 76 K HN . 17853 1 575 . 1 1 76 76 LYS CA C 13 61.503 0.4 . 1 . . . . 76 K CA . 17853 1 576 . 1 1 76 76 LYS CB C 13 35.291 0.4 . 1 . . . . 76 K CB . 17853 1 577 . 1 1 76 76 LYS N N 15 118.268 0.1 . 1 . . . . 76 K N . 17853 1 578 . 1 1 77 77 ALA HA H 1 4.347 0.05 . 1 . . . . 77 A HA . 17853 1 579 . 1 1 77 77 ALA HB1 H 1 1.421 0.05 . 1 . . . . 77 A HB1 . 17853 1 580 . 1 1 77 77 ALA HB2 H 1 1.421 0.05 . 1 . . . . 77 A HB2 . 17853 1 581 . 1 1 77 77 ALA HB3 H 1 1.421 0.05 . 1 . . . . 77 A HB3 . 17853 1 582 . 1 1 77 77 ALA C C 13 178.336 0.4 . 1 . . . . 77 A C . 17853 1 583 . 1 1 77 77 ALA CA C 13 52.890 0.4 . 1 . . . . 77 A CA . 17853 1 584 . 1 1 77 77 ALA CB C 13 19.084 0.4 . 1 . . . . 77 A CB . 17853 1 585 . 1 1 78 78 GLY H H 1 8.201 0.05 . 1 . . . . 78 G HN . 17853 1 586 . 1 1 78 78 GLY CA C 13 45.397 0.4 . 1 . . . . 78 G CA . 17853 1 587 . 1 1 78 78 GLY N N 15 107.199 0.1 . 1 . . . . 78 G N . 17853 1 588 . 1 1 79 79 GLY C C 13 173.543 0.4 . 1 . . . . 79 G C . 17853 1 589 . 1 1 79 79 GLY CA C 13 45.762 0.4 . 1 . . . . 79 G CA . 17853 1 590 . 1 1 80 80 VAL H H 1 8.428 0.05 . 1 . . . . 80 V HN . 17853 1 591 . 1 1 80 80 VAL C C 13 172.887 0.4 . 1 . . . . 80 V C . 17853 1 592 . 1 1 80 80 VAL CA C 13 56.814 0.4 . 1 . . . . 80 V CA . 17853 1 593 . 1 1 80 80 VAL CB C 13 39.848 0.4 . 1 . . . . 80 V CB . 17853 1 594 . 1 1 80 80 VAL N N 15 118.768 0.1 . 1 . . . . 80 V N . 17853 1 595 . 1 1 81 81 VAL H H 1 8.679 0.05 . 1 . . . . 81 V HN . 17853 1 596 . 1 1 81 81 VAL HA H 1 5.208 0.05 . 1 . . . . 81 V HA . 17853 1 597 . 1 1 81 81 VAL HB H 1 1.981 0.05 . 1 . . . . 81 V HB . 17853 1 598 . 1 1 81 81 VAL HG11 H 1 1.075 0.05 . 2 . . . . 81 V HG11 . 17853 1 599 . 1 1 81 81 VAL HG12 H 1 1.075 0.05 . 2 . . . . 81 V HG12 . 17853 1 600 . 1 1 81 81 VAL HG13 H 1 1.075 0.05 . 2 . . . . 81 V HG13 . 17853 1 601 . 1 1 81 81 VAL HG21 H 1 0.821 0.05 . 2 . . . . 81 V HG21 . 17853 1 602 . 1 1 81 81 VAL HG22 H 1 0.821 0.05 . 2 . . . . 81 V HG22 . 17853 1 603 . 1 1 81 81 VAL HG23 H 1 0.821 0.05 . 2 . . . . 81 V HG23 . 17853 1 604 . 1 1 81 81 VAL C C 13 175.906 0.4 . 1 . . . . 81 V C . 17853 1 605 . 1 1 81 81 VAL CA C 13 60.567 0.4 . 1 . . . . 81 V CA . 17853 1 606 . 1 1 81 81 VAL CB C 13 33.664 0.4 . 1 . . . . 81 V CB . 17853 1 607 . 1 1 81 81 VAL CG1 C 13 21.800 0.4 . 2 . . . . 81 V CG1 . 17853 1 608 . 1 1 81 81 VAL CG2 C 13 22.100 0.4 . 2 . . . . 81 V CG2 . 17853 1 609 . 1 1 81 81 VAL N N 15 118.205 0.1 . 1 . . . . 81 V N . 17853 1 610 . 1 1 82 82 LYS H H 1 9.051 0.05 . 1 . . . . 82 K HN . 17853 1 611 . 1 1 82 82 LYS HA H 1 5.014 0.05 . 1 . . . . 82 K HA . 17853 1 612 . 1 1 82 82 LYS HB2 H 1 2.369 0.05 . 1 . . . . 82 K HB1 . 17853 1 613 . 1 1 82 82 LYS HB3 H 1 2.093 0.05 . 1 . . . . 82 K HB2 . 17853 1 614 . 1 1 82 82 LYS HD2 H 1 1.966 0.05 . 2 . . . . 82 K HD1 . 17853 1 615 . 1 1 82 82 LYS HD3 H 1 1.966 0.05 . 2 . . . . 82 K HD2 . 17853 1 616 . 1 1 82 82 LYS C C 13 174.220 0.4 . 1 . . . . 82 K C . 17853 1 617 . 1 1 82 82 LYS CA C 13 54.617 0.4 . 1 . . . . 82 K CA . 17853 1 618 . 1 1 82 82 LYS CB C 13 37.759 0.4 . 1 . . . . 82 K CB . 17853 1 619 . 1 1 82 82 LYS CD C 13 29.700 0.4 . 1 . . . . 82 K CD . 17853 1 620 . 1 1 82 82 LYS N N 15 124.912 0.1 . 1 . . . . 82 K N . 17853 1 621 . 1 1 83 83 VAL H H 1 8.972 0.05 . 1 . . . . 83 V HN . 17853 1 622 . 1 1 83 83 VAL HA H 1 4.403 0.05 . 1 . . . . 83 V HA . 17853 1 623 . 1 1 83 83 VAL HB H 1 1.877 0.05 . 1 . . . . 83 V HB . 17853 1 624 . 1 1 83 83 VAL C C 13 176.322 0.4 . 1 . . . . 83 V C . 17853 1 625 . 1 1 83 83 VAL CA C 13 54.932 0.4 . 1 . . . . 83 V CA . 17853 1 626 . 1 1 83 83 VAL CB C 13 32.882 0.4 . 1 . . . . 83 V CB . 17853 1 627 . 1 1 83 83 VAL N N 15 128.493 0.1 . 1 . . . . 83 V N . 17853 1 628 . 1 1 84 84 THR H H 1 8.105 0.05 . 1 . . . . 84 T HN . 17853 1 629 . 1 1 84 84 THR HA H 1 4.831 0.05 . 1 . . . . 84 T HA . 17853 1 630 . 1 1 84 84 THR HB H 1 3.692 0.05 . 1 . . . . 84 T HB . 17853 1 631 . 1 1 84 84 THR HG21 H 1 0.590 0.05 . 1 . . . . 84 T HG21 . 17853 1 632 . 1 1 84 84 THR HG22 H 1 0.590 0.05 . 1 . . . . 84 T HG22 . 17853 1 633 . 1 1 84 84 THR HG23 H 1 0.590 0.05 . 1 . . . . 84 T HG23 . 17853 1 634 . 1 1 84 84 THR C C 13 174.301 0.4 . 1 . . . . 84 T C . 17853 1 635 . 1 1 84 84 THR CA C 13 61.451 0.4 . 1 . . . . 84 T CA . 17853 1 636 . 1 1 84 84 THR CB C 13 71.545 0.4 . 1 . . . . 84 T CB . 17853 1 637 . 1 1 84 84 THR CG2 C 13 22.100 0.4 . 1 . . . . 84 T CG2 . 17853 1 638 . 1 1 84 84 THR N N 15 115.881 0.1 . 1 . . . . 84 T N . 17853 1 639 . 1 1 85 85 TYR H H 1 8.543 0.05 . 1 . . . . 85 Y HN . 17853 1 640 . 1 1 85 85 TYR HA H 1 4.934 0.05 . 1 . . . . 85 Y HA . 17853 1 641 . 1 1 85 85 TYR CA C 13 56.017 0.4 . 1 . . . . 85 Y CA . 17853 1 642 . 1 1 85 85 TYR CB C 13 41.145 0.4 . 1 . . . . 85 Y CB . 17853 1 643 . 1 1 85 85 TYR N N 15 127.388 0.1 . 1 . . . . 85 Y N . 17853 1 644 . 1 1 86 86 PRO HA H 1 4.851 0.05 . 1 . . . . 86 P HA . 17853 1 645 . 1 1 86 86 PRO HB2 H 1 2.442 0.05 . 1 . . . . 86 P HB1 . 17853 1 646 . 1 1 86 86 PRO HB3 H 1 2.111 0.05 . 1 . . . . 86 P HB2 . 17853 1 647 . 1 1 86 86 PRO C C 13 177.269 0.4 . 1 . . . . 86 P C . 17853 1 648 . 1 1 86 86 PRO CA C 13 62.198 0.4 . 1 . . . . 86 P CA . 17853 1 649 . 1 1 86 86 PRO CB C 13 32.117 0.4 . 1 . . . . 86 P CB . 17853 1 650 . 1 1 87 87 GLY H H 1 8.956 0.05 . 1 . . . . 87 G HN . 17853 1 651 . 1 1 87 87 GLY HA2 H 1 4.155 0.05 . 1 . . . . 87 G HA1 . 17853 1 652 . 1 1 87 87 GLY HA3 H 1 3.972 0.05 . 1 . . . . 87 G HA2 . 17853 1 653 . 1 1 87 87 GLY C C 13 174.923 0.4 . 1 . . . . 87 G C . 17853 1 654 . 1 1 87 87 GLY CA C 13 45.588 0.4 . 1 . . . . 87 G CA . 17853 1 655 . 1 1 87 87 GLY N N 15 109.224 0.1 . 1 . . . . 87 G N . 17853 1 656 . 1 1 88 88 LEU H H 1 9.369 0.05 . 1 . . . . 88 L HN . 17853 1 657 . 1 1 88 88 LEU HA H 1 4.901 0.05 . 1 . . . . 88 L HA . 17853 1 658 . 1 1 88 88 LEU HB2 H 1 1.838 0.05 . 1 . . . . 88 L HB1 . 17853 1 659 . 1 1 88 88 LEU HB3 H 1 1.285 0.05 . 1 . . . . 88 L HB2 . 17853 1 660 . 1 1 88 88 LEU C C 13 176.533 0.4 . 1 . . . . 88 L C . 17853 1 661 . 1 1 88 88 LEU CA C 13 54.613 0.4 . 1 . . . . 88 L CA . 17853 1 662 . 1 1 88 88 LEU CB C 13 44.332 0.4 . 1 . . . . 88 L CB . 17853 1 663 . 1 1 88 88 LEU N N 15 125.696 0.1 . 1 . . . . 88 L N . 17853 1 664 . 1 1 89 89 THR H H 1 8.738 0.05 . 1 . . . . 89 T HN . 17853 1 665 . 1 1 89 89 THR HA H 1 4.310 0.05 . 1 . . . . 89 T HA . 17853 1 666 . 1 1 89 89 THR HB H 1 3.674 0.05 . 1 . . . . 89 T HB . 17853 1 667 . 1 1 89 89 THR HG21 H 1 0.591 0.05 . 1 . . . . 89 T HG21 . 17853 1 668 . 1 1 89 89 THR HG22 H 1 0.591 0.05 . 1 . . . . 89 T HG22 . 17853 1 669 . 1 1 89 89 THR HG23 H 1 0.591 0.05 . 1 . . . . 89 T HG23 . 17853 1 670 . 1 1 89 89 THR C C 13 171.585 0.4 . 1 . . . . 89 T C . 17853 1 671 . 1 1 89 89 THR CA C 13 63.092 0.4 . 1 . . . . 89 T CA . 17853 1 672 . 1 1 89 89 THR CB C 13 71.054 0.4 . 1 . . . . 89 T CB . 17853 1 673 . 1 1 89 89 THR CG2 C 13 22.100 0.4 . 1 . . . . 89 T CG2 . 17853 1 674 . 1 1 89 89 THR N N 15 121.130 0.1 . 1 . . . . 89 T N . 17853 1 675 . 1 1 90 90 LYS H H 1 7.995 0.05 . 1 . . . . 90 K HN . 17853 1 676 . 1 1 90 90 LYS HA H 1 4.989 0.05 . 1 . . . . 90 K HA . 17853 1 677 . 1 1 90 90 LYS HB2 H 1 2.062 0.05 . 1 . . . . 90 K HB1 . 17853 1 678 . 1 1 90 90 LYS HB3 H 1 1.951 0.05 . 1 . . . . 90 K HB2 . 17853 1 679 . 1 1 90 90 LYS HD2 H 1 1.689 0.05 . 2 . . . . 90 K HD1 . 17853 1 680 . 1 1 90 90 LYS HE2 H 1 3.009 0.05 . 2 . . . . 90 K HE1 . 17853 1 681 . 1 1 90 90 LYS C C 13 173.230 0.4 . 1 . . . . 90 K C . 17853 1 682 . 1 1 90 90 LYS CA C 13 53.427 0.4 . 1 . . . . 90 K CA . 17853 1 683 . 1 1 90 90 LYS CB C 13 33.100 0.4 . 1 . . . . 90 K CB . 17853 1 684 . 1 1 90 90 LYS CD C 13 30.000 0.4 . 1 . . . . 90 K CD . 17853 1 685 . 1 1 90 90 LYS CE C 13 42.900 0.4 . 1 . . . . 90 K CE . 17853 1 686 . 1 1 90 90 LYS N N 15 126.836 0.1 . 1 . . . . 90 K N . 17853 1 687 . 1 1 91 91 VAL H H 1 9.020 0.05 . 1 . . . . 91 V HN . 17853 1 688 . 1 1 91 91 VAL HA H 1 4.294 0.05 . 1 . . . . 91 V HA . 17853 1 689 . 1 1 91 91 VAL HB H 1 0.436 0.05 . 1 . . . . 91 V HB . 17853 1 690 . 1 1 91 91 VAL C C 13 174.214 0.4 . 1 . . . . 91 V C . 17853 1 691 . 1 1 91 91 VAL CA C 13 61.122 0.4 . 1 . . . . 91 V CA . 17853 1 692 . 1 1 91 91 VAL CB C 13 31.172 0.4 . 1 . . . . 91 V CB . 17853 1 693 . 1 1 91 91 VAL N N 15 130.467 0.1 . 1 . . . . 91 V N . 17853 1 694 . 1 1 92 92 LEU H H 1 8.902 0.05 . 1 . . . . 92 L HN . 17853 1 695 . 1 1 92 92 LEU HA H 1 4.509 0.05 . 1 . . . . 92 L HA . 17853 1 696 . 1 1 92 92 LEU HB2 H 1 1.944 0.05 . 1 . . . . 92 L HB1 . 17853 1 697 . 1 1 92 92 LEU HB3 H 1 1.024 0.05 . 1 . . . . 92 L HB2 . 17853 1 698 . 1 1 92 92 LEU HG H 1 1.392 0.05 . 1 . . . . 92 L HG . 17853 1 699 . 1 1 92 92 LEU HD11 H 1 1.288 0.05 . 2 . . . . 92 L HD11 . 17853 1 700 . 1 1 92 92 LEU HD12 H 1 1.288 0.05 . 2 . . . . 92 L HD12 . 17853 1 701 . 1 1 92 92 LEU HD13 H 1 1.288 0.05 . 2 . . . . 92 L HD13 . 17853 1 702 . 1 1 92 92 LEU HD21 H 1 0.679 0.05 . 2 . . . . 92 L HD21 . 17853 1 703 . 1 1 92 92 LEU HD22 H 1 0.679 0.05 . 2 . . . . 92 L HD22 . 17853 1 704 . 1 1 92 92 LEU HD23 H 1 0.679 0.05 . 2 . . . . 92 L HD23 . 17853 1 705 . 1 1 92 92 LEU C C 13 173.646 0.4 . 1 . . . . 92 L C . 17853 1 706 . 1 1 92 92 LEU CA C 13 52.833 0.4 . 1 . . . . 92 L CA . 17853 1 707 . 1 1 92 92 LEU CB C 13 44.712 0.4 . 1 . . . . 92 L CB . 17853 1 708 . 1 1 92 92 LEU CG C 13 26.500 0.4 . 1 . . . . 92 L CG . 17853 1 709 . 1 1 92 92 LEU CD1 C 13 25.400 0.4 . 2 . . . . 92 L CD1 . 17853 1 710 . 1 1 92 92 LEU CD2 C 13 24.800 0.4 . 2 . . . . 92 L CD2 . 17853 1 711 . 1 1 92 92 LEU N N 15 129.711 0.1 . 1 . . . . 92 L N . 17853 1 712 . 1 1 93 93 ALA H H 1 8.516 0.05 . 1 . . . . 93 A HN . 17853 1 713 . 1 1 93 93 ALA HA H 1 4.961 0.05 . 1 . . . . 93 A HA . 17853 1 714 . 1 1 93 93 ALA HB1 H 1 1.402 0.05 . 1 . . . . 93 A HB1 . 17853 1 715 . 1 1 93 93 ALA HB2 H 1 1.402 0.05 . 1 . . . . 93 A HB2 . 17853 1 716 . 1 1 93 93 ALA HB3 H 1 1.402 0.05 . 1 . . . . 93 A HB3 . 17853 1 717 . 1 1 93 93 ALA C C 13 176.924 0.4 . 1 . . . . 93 A C . 17853 1 718 . 1 1 93 93 ALA CA C 13 51.241 0.4 . 1 . . . . 93 A CA . 17853 1 719 . 1 1 93 93 ALA CB C 13 20.002 0.4 . 1 . . . . 93 A CB . 17853 1 720 . 1 1 93 93 ALA N N 15 130.122 0.1 . 1 . . . . 93 A N . 17853 1 721 . 1 1 94 94 LEU H H 1 8.678 0.05 . 1 . . . . 94 L HN . 17853 1 722 . 1 1 94 94 LEU HA H 1 5.157 0.05 . 1 . . . . 94 L HA . 17853 1 723 . 1 1 94 94 LEU HB2 H 1 2.233 0.05 . 1 . . . . 94 L HB1 . 17853 1 724 . 1 1 94 94 LEU HB3 H 1 1.990 0.05 . 1 . . . . 94 L HB2 . 17853 1 725 . 1 1 94 94 LEU HG H 1 1.289 0.05 . 1 . . . . 94 L HG . 17853 1 726 . 1 1 94 94 LEU HD11 H 1 0.949 0.05 . 2 . . . . 94 L HD11 . 17853 1 727 . 1 1 94 94 LEU HD12 H 1 0.949 0.05 . 2 . . . . 94 L HD12 . 17853 1 728 . 1 1 94 94 LEU HD13 H 1 0.949 0.05 . 2 . . . . 94 L HD13 . 17853 1 729 . 1 1 94 94 LEU C C 13 178.911 0.4 . 1 . . . . 94 L C . 17853 1 730 . 1 1 94 94 LEU CA C 13 54.096 0.4 . 1 . . . . 94 L CA . 17853 1 731 . 1 1 94 94 LEU CB C 13 44.207 0.4 . 1 . . . . 94 L CB . 17853 1 732 . 1 1 94 94 LEU CG C 13 26.700 0.4 . 1 . . . . 94 L CG . 17853 1 733 . 1 1 94 94 LEU CD1 C 13 22.600 0.4 . 2 . . . . 94 L CD1 . 17853 1 734 . 1 1 94 94 LEU N N 15 123.177 0.1 . 1 . . . . 94 L N . 17853 1 735 . 1 1 95 95 LYS H H 1 8.848 0.05 . 1 . . . . 95 K HN . 17853 1 736 . 1 1 95 95 LYS HA H 1 4.470 0.05 . 1 . . . . 95 K HA . 17853 1 737 . 1 1 95 95 LYS HB2 H 1 1.999 0.05 . 1 . . . . 95 K HB1 . 17853 1 738 . 1 1 95 95 LYS HB3 H 1 1.563 0.05 . 1 . . . . 95 K HB2 . 17853 1 739 . 1 1 95 95 LYS HG2 H 1 1.419 0.05 . 2 . . . . 95 K HG1 . 17853 1 740 . 1 1 95 95 LYS HD2 H 1 1.419 0.05 . 2 . . . . 95 K HD1 . 17853 1 741 . 1 1 95 95 LYS HD3 H 1 1.244 0.05 . 2 . . . . 95 K HD2 . 17853 1 742 . 1 1 95 95 LYS HE2 H 1 2.957 0.05 . 2 . . . . 95 K HE1 . 17853 1 743 . 1 1 95 95 LYS C C 13 176.290 0.4 . 1 . . . . 95 K C . 17853 1 744 . 1 1 95 95 LYS CA C 13 56.837 0.4 . 1 . . . . 95 K CA . 17853 1 745 . 1 1 95 95 LYS CB C 13 35.051 0.4 . 1 . . . . 95 K CB . 17853 1 746 . 1 1 95 95 LYS CG C 13 26.500 0.4 . 1 . . . . 95 K CG . 17853 1 747 . 1 1 95 95 LYS CD C 13 26.200 0.4 . 1 . . . . 95 K CD . 17853 1 748 . 1 1 95 95 LYS CE C 13 41.800 0.4 . 1 . . . . 95 K CE . 17853 1 749 . 1 1 95 95 LYS N N 15 116.417 0.1 . 1 . . . . 95 K N . 17853 1 750 . 1 1 96 96 VAL H H 1 7.292 0.05 . 1 . . . . 96 V HN . 17853 1 751 . 1 1 96 96 VAL HA H 1 4.780 0.05 . 1 . . . . 96 V HA . 17853 1 752 . 1 1 96 96 VAL HB H 1 2.455 0.05 . 1 . . . . 96 V HB . 17853 1 753 . 1 1 96 96 VAL HG11 H 1 1.142 0.05 . 2 . . . . 96 V HG11 . 17853 1 754 . 1 1 96 96 VAL HG12 H 1 1.142 0.05 . 2 . . . . 96 V HG12 . 17853 1 755 . 1 1 96 96 VAL HG13 H 1 1.142 0.05 . 2 . . . . 96 V HG13 . 17853 1 756 . 1 1 96 96 VAL HG21 H 1 1.046 0.05 . 2 . . . . 96 V HG21 . 17853 1 757 . 1 1 96 96 VAL HG22 H 1 1.046 0.05 . 2 . . . . 96 V HG22 . 17853 1 758 . 1 1 96 96 VAL HG23 H 1 1.046 0.05 . 2 . . . . 96 V HG23 . 17853 1 759 . 1 1 96 96 VAL C C 13 173.068 0.4 . 1 . . . . 96 V C . 17853 1 760 . 1 1 96 96 VAL CA C 13 58.705 0.4 . 1 . . . . 96 V CA . 17853 1 761 . 1 1 96 96 VAL CB C 13 35.795 0.4 . 1 . . . . 96 V CB . 17853 1 762 . 1 1 96 96 VAL CG1 C 13 21.500 0.4 . 2 . . . . 96 V CG1 . 17853 1 763 . 1 1 96 96 VAL CG2 C 13 19.400 0.4 . 2 . . . . 96 V CG2 . 17853 1 764 . 1 1 96 96 VAL N N 15 109.790 0.1 . 1 . . . . 96 V N . 17853 1 765 . 1 1 97 97 ASP H H 1 8.072 0.05 . 1 . . . . 97 D HN . 17853 1 766 . 1 1 97 97 ASP HA H 1 4.758 0.05 . 1 . . . . 97 D HA . 17853 1 767 . 1 1 97 97 ASP HB2 H 1 2.820 0.05 . 1 . . . . 97 D HB1 . 17853 1 768 . 1 1 97 97 ASP HB3 H 1 2.169 0.05 . 1 . . . . 97 D HB2 . 17853 1 769 . 1 1 97 97 ASP C C 13 174.616 0.4 . 1 . . . . 97 D C . 17853 1 770 . 1 1 97 97 ASP CA C 13 52.187 0.4 . 1 . . . . 97 D CA . 17853 1 771 . 1 1 97 97 ASP CB C 13 40.513 0.4 . 1 . . . . 97 D CB . 17853 1 772 . 1 1 97 97 ASP N N 15 115.866 0.1 . 1 . . . . 97 D N . 17853 1 773 . 1 1 98 98 ASN H H 1 6.616 0.05 . 1 . . . . 98 N HN . 17853 1 774 . 1 1 98 98 ASN HA H 1 5.109 0.05 . 1 . . . . 98 N HA . 17853 1 775 . 1 1 98 98 ASN HB2 H 1 2.994 0.05 . 1 . . . . 98 N HB1 . 17853 1 776 . 1 1 98 98 ASN HD21 H 1 7.789 0.05 . 2 . . . . 98 N HD21 . 17853 1 777 . 1 1 98 98 ASN HD22 H 1 7.262 0.05 . 2 . . . . 98 N HD22 . 17853 1 778 . 1 1 98 98 ASN C C 13 175.334 0.4 . 1 . . . . 98 N C . 17853 1 779 . 1 1 98 98 ASN CA C 13 52.610 0.4 . 1 . . . . 98 N CA . 17853 1 780 . 1 1 98 98 ASN CB C 13 39.548 0.4 . 1 . . . . 98 N CB . 17853 1 781 . 1 1 98 98 ASN N N 15 116.596 0.1 . 1 . . . . 98 N N . 17853 1 782 . 1 1 98 98 ASN ND2 N 15 112.357 0.1 . 1 . . . . 98 N ND2 . 17853 1 783 . 1 1 99 99 ALA H H 1 9.889 0.05 . 1 . . . . 99 A HN . 17853 1 784 . 1 1 99 99 ALA HA H 1 3.950 0.05 . 1 . . . . 99 A HA . 17853 1 785 . 1 1 99 99 ALA HB1 H 1 1.243 0.05 . 1 . . . . 99 A HB1 . 17853 1 786 . 1 1 99 99 ALA HB2 H 1 1.243 0.05 . 1 . . . . 99 A HB2 . 17853 1 787 . 1 1 99 99 ALA HB3 H 1 1.243 0.05 . 1 . . . . 99 A HB3 . 17853 1 788 . 1 1 99 99 ALA C C 13 178.347 0.4 . 1 . . . . 99 A C . 17853 1 789 . 1 1 99 99 ALA CA C 13 55.722 0.4 . 1 . . . . 99 A CA . 17853 1 790 . 1 1 99 99 ALA CB C 13 18.315 0.4 . 1 . . . . 99 A CB . 17853 1 791 . 1 1 99 99 ALA N N 15 128.583 0.1 . 1 . . . . 99 A N . 17853 1 792 . 1 1 100 100 GLU H H 1 8.413 0.05 . 1 . . . . 100 E HN . 17853 1 793 . 1 1 100 100 GLU HA H 1 3.934 0.05 . 1 . . . . 100 E HA . 17853 1 794 . 1 1 100 100 GLU HB2 H 1 2.273 0.05 . 1 . . . . 100 E HB1 . 17853 1 795 . 1 1 100 100 GLU HG2 H 1 2.070 0.05 . 2 . . . . 100 E HG1 . 17853 1 796 . 1 1 100 100 GLU C C 13 178.272 0.4 . 1 . . . . 100 E C . 17853 1 797 . 1 1 100 100 GLU CA C 13 60.597 0.4 . 1 . . . . 100 E CA . 17853 1 798 . 1 1 100 100 GLU CB C 13 29.325 0.4 . 1 . . . . 100 E CB . 17853 1 799 . 1 1 100 100 GLU CG C 13 34.900 0.4 . 1 . . . . 100 E CG . 17853 1 800 . 1 1 100 100 GLU N N 15 118.808 0.1 . 1 . . . . 100 E N . 17853 1 801 . 1 1 101 101 THR H H 1 7.813 0.05 . 1 . . . . 101 T HN . 17853 1 802 . 1 1 101 101 THR HA H 1 3.969 0.05 . 1 . . . . 101 T HA . 17853 1 803 . 1 1 101 101 THR HB H 1 3.971 0.05 . 1 . . . . 101 T HB . 17853 1 804 . 1 1 101 101 THR HG21 H 1 1.359 0.05 . 1 . . . . 101 T HG21 . 17853 1 805 . 1 1 101 101 THR HG22 H 1 1.359 0.05 . 1 . . . . 101 T HG22 . 17853 1 806 . 1 1 101 101 THR HG23 H 1 1.359 0.05 . 1 . . . . 101 T HG23 . 17853 1 807 . 1 1 101 101 THR C C 13 179.350 0.4 . 1 . . . . 101 T C . 17853 1 808 . 1 1 101 101 THR CA C 13 66.834 0.4 . 1 . . . . 101 T CA . 17853 1 809 . 1 1 101 101 THR CB C 13 69.026 0.4 . 1 . . . . 101 T CB . 17853 1 810 . 1 1 101 101 THR CG2 C 13 22.400 0.4 . 1 . . . . 101 T CG2 . 17853 1 811 . 1 1 101 101 THR N N 15 116.364 0.1 . 1 . . . . 101 T N . 17853 1 812 . 1 1 102 102 ILE H H 1 8.055 0.05 . 1 . . . . 102 I HN . 17853 1 813 . 1 1 102 102 ILE HA H 1 3.414 0.05 . 1 . . . . 102 I HA . 17853 1 814 . 1 1 102 102 ILE HB H 1 1.784 0.05 . 1 . . . . 102 I HB . 17853 1 815 . 1 1 102 102 ILE C C 13 176.931 0.4 . 1 . . . . 102 I C . 17853 1 816 . 1 1 102 102 ILE CA C 13 61.230 0.4 . 1 . . . . 102 I CA . 17853 1 817 . 1 1 102 102 ILE CB C 13 34.592 0.4 . 1 . . . . 102 I CB . 17853 1 818 . 1 1 102 102 ILE N N 15 120.694 0.1 . 1 . . . . 102 I N . 17853 1 819 . 1 1 103 103 LYS H H 1 8.412 0.05 . 1 . . . . 103 K HN . 17853 1 820 . 1 1 103 103 LYS HA H 1 3.694 0.05 . 1 . . . . 103 K HA . 17853 1 821 . 1 1 103 103 LYS HB2 H 1 1.946 0.05 . 1 . . . . 103 K HB1 . 17853 1 822 . 1 1 103 103 LYS HB3 H 1 1.676 0.05 . 1 . . . . 103 K HB2 . 17853 1 823 . 1 1 103 103 LYS C C 13 178.324 0.4 . 1 . . . . 103 K C . 17853 1 824 . 1 1 103 103 LYS CA C 13 60.719 0.4 . 1 . . . . 103 K CA . 17853 1 825 . 1 1 103 103 LYS CB C 13 32.437 0.4 . 1 . . . . 103 K CB . 17853 1 826 . 1 1 103 103 LYS N N 15 116.380 0.1 . 1 . . . . 103 K N . 17853 1 827 . 1 1 104 104 LYS H H 1 8.250 0.05 . 1 . . . . 104 K HN . 17853 1 828 . 1 1 104 104 LYS HA H 1 4.087 0.05 . 1 . . . . 104 K HA . 17853 1 829 . 1 1 104 104 LYS HB2 H 1 2.025 0.05 . 1 . . . . 104 K HB1 . 17853 1 830 . 1 1 104 104 LYS HG2 H 1 1.498 0.05 . 2 . . . . 104 K HG1 . 17853 1 831 . 1 1 104 104 LYS HD2 H 1 1.689 0.05 . 2 . . . . 104 K HD1 . 17853 1 832 . 1 1 104 104 LYS C C 13 180.722 0.4 . 1 . . . . 104 K C . 17853 1 833 . 1 1 104 104 LYS CA C 13 59.880 0.4 . 1 . . . . 104 K CA . 17853 1 834 . 1 1 104 104 LYS CB C 13 32.917 0.4 . 1 . . . . 104 K CB . 17853 1 835 . 1 1 104 104 LYS CG C 13 25.600 0.4 . 1 . . . . 104 K CG . 17853 1 836 . 1 1 104 104 LYS CD C 13 30.000 0.4 . 1 . . . . 104 K CD . 17853 1 837 . 1 1 104 104 LYS N N 15 117.349 0.1 . 1 . . . . 104 K N . 17853 1 838 . 1 1 105 105 GLU H H 1 8.578 0.05 . 1 . . . . 105 E HN . 17853 1 839 . 1 1 105 105 GLU HA H 1 4.471 0.05 . 1 . . . . 105 E HA . 17853 1 840 . 1 1 105 105 GLU HB2 H 1 2.121 0.05 . 1 . . . . 105 E HB1 . 17853 1 841 . 1 1 105 105 GLU HB3 H 1 1.783 0.05 . 1 . . . . 105 E HB2 . 17853 1 842 . 1 1 105 105 GLU HG2 H 1 2.440 0.05 . 2 . . . . 105 E HG1 . 17853 1 843 . 1 1 105 105 GLU C C 13 178.868 0.4 . 1 . . . . 105 E C . 17853 1 844 . 1 1 105 105 GLU CA C 13 57.992 0.4 . 1 . . . . 105 E CA . 17853 1 845 . 1 1 105 105 GLU CB C 13 29.398 0.4 . 1 . . . . 105 E CB . 17853 1 846 . 1 1 105 105 GLU CG C 13 36.300 0.4 . 1 . . . . 105 E CG . 17853 1 847 . 1 1 105 105 GLU N N 15 117.234 0.1 . 1 . . . . 105 E N . 17853 1 848 . 1 1 106 106 LEU H H 1 8.132 0.05 . 1 . . . . 106 L HN . 17853 1 849 . 1 1 106 106 LEU HA H 1 4.579 0.05 . 1 . . . . 106 L HA . 17853 1 850 . 1 1 106 106 LEU HB2 H 1 1.760 0.05 . 1 . . . . 106 L HB1 . 17853 1 851 . 1 1 106 106 LEU C C 13 176.987 0.4 . 1 . . . . 106 L C . 17853 1 852 . 1 1 106 106 LEU CA C 13 54.633 0.4 . 1 . . . . 106 L CA . 17853 1 853 . 1 1 106 106 LEU CB C 13 40.566 0.4 . 1 . . . . 106 L CB . 17853 1 854 . 1 1 106 106 LEU N N 15 114.438 0.1 . 1 . . . . 106 L N . 17853 1 855 . 1 1 107 107 GLY H H 1 7.687 0.05 . 1 . . . . 107 G HN . 17853 1 856 . 1 1 107 107 GLY HA2 H 1 4.058 0.05 . 1 . . . . 107 G HA1 . 17853 1 857 . 1 1 107 107 GLY C C 13 175.378 0.4 . 1 . . . . 107 G C . 17853 1 858 . 1 1 107 107 GLY CA C 13 47.369 0.4 . 1 . . . . 107 G CA . 17853 1 859 . 1 1 107 107 GLY N N 15 108.807 0.1 . 1 . . . . 107 G N . 17853 1 860 . 1 1 108 108 LEU H H 1 8.633 0.05 . 1 . . . . 108 L HN . 17853 1 861 . 1 1 108 108 LEU HA H 1 4.644 0.05 . 1 . . . . 108 L HA . 17853 1 862 . 1 1 108 108 LEU HB2 H 1 2.050 0.05 . 1 . . . . 108 L HB1 . 17853 1 863 . 1 1 108 108 LEU HB3 H 1 1.544 0.05 . 1 . . . . 108 L HB2 . 17853 1 864 . 1 1 108 108 LEU C C 13 176.287 0.4 . 1 . . . . 108 L C . 17853 1 865 . 1 1 108 108 LEU CA C 13 52.813 0.4 . 1 . . . . 108 L CA . 17853 1 866 . 1 1 108 108 LEU CB C 13 40.818 0.4 . 1 . . . . 108 L CB . 17853 1 867 . 1 1 108 108 LEU N N 15 119.317 0.1 . 1 . . . . 108 L N . 17853 1 868 . 1 1 109 109 SER H H 1 8.277 0.05 . 1 . . . . 109 S HN . 17853 1 869 . 1 1 109 109 SER HA H 1 4.515 0.05 . 1 . . . . 109 S HA . 17853 1 870 . 1 1 109 109 SER HB2 H 1 4.022 0.05 . 1 . . . . 109 S HB1 . 17853 1 871 . 1 1 109 109 SER HB3 H 1 3.658 0.05 . 1 . . . . 109 S HB2 . 17853 1 872 . 1 1 109 109 SER C C 13 177.667 0.4 . 1 . . . . 109 S C . 17853 1 873 . 1 1 109 109 SER CA C 13 58.008 0.4 . 1 . . . . 109 S CA . 17853 1 874 . 1 1 109 109 SER CB C 13 62.889 0.4 . 1 . . . . 109 S CB . 17853 1 875 . 1 1 109 109 SER N N 15 113.018 0.1 . 1 . . . . 109 S N . 17853 1 876 . 1 1 110 110 LEU H H 1 9.036 0.05 . 1 . . . . 110 L HN . 17853 1 877 . 1 1 110 110 LEU HA H 1 4.193 0.05 . 1 . . . . 110 L HA . 17853 1 878 . 1 1 110 110 LEU HB2 H 1 1.834 0.05 . 1 . . . . 110 L HB1 . 17853 1 879 . 1 1 110 110 LEU HD11 H 1 1.060 0.05 . 2 . . . . 110 L HD11 . 17853 1 880 . 1 1 110 110 LEU HD12 H 1 1.060 0.05 . 2 . . . . 110 L HD12 . 17853 1 881 . 1 1 110 110 LEU HD13 H 1 1.060 0.05 . 2 . . . . 110 L HD13 . 17853 1 882 . 1 1 110 110 LEU HD21 H 1 0.944 0.05 . 2 . . . . 110 L HD21 . 17853 1 883 . 1 1 110 110 LEU HD22 H 1 0.944 0.05 . 2 . . . . 110 L HD22 . 17853 1 884 . 1 1 110 110 LEU HD23 H 1 0.944 0.05 . 2 . . . . 110 L HD23 . 17853 1 885 . 1 1 110 110 LEU C C 13 179.028 0.4 . 1 . . . . 110 L C . 17853 1 886 . 1 1 110 110 LEU CA C 13 56.851 0.4 . 1 . . . . 110 L CA . 17853 1 887 . 1 1 110 110 LEU CB C 13 41.569 0.4 . 1 . . . . 110 L CB . 17853 1 888 . 1 1 110 110 LEU CD1 C 13 24.500 0.4 . 2 . . . . 110 L CD1 . 17853 1 889 . 1 1 110 110 LEU CD2 C 13 23.500 0.4 . 2 . . . . 110 L CD2 . 17853 1 890 . 1 1 110 110 LEU N N 15 125.986 0.1 . 1 . . . . 110 L N . 17853 1 891 . 1 1 111 111 THR H H 1 7.957 0.05 . 1 . . . . 111 T HN . 17853 1 892 . 1 1 111 111 THR HA H 1 4.479 0.05 . 1 . . . . 111 T HA . 17853 1 893 . 1 1 111 111 THR HB H 1 4.321 0.05 . 1 . . . . 111 T HB . 17853 1 894 . 1 1 111 111 THR C C 13 174.503 0.4 . 1 . . . . 111 T C . 17853 1 895 . 1 1 111 111 THR CA C 13 62.122 0.4 . 1 . . . . 111 T CA . 17853 1 896 . 1 1 111 111 THR CB C 13 68.575 0.4 . 1 . . . . 111 T CB . 17853 1 897 . 1 1 111 111 THR N N 15 106.735 0.1 . 1 . . . . 111 T N . 17853 1 898 . 1 1 112 112 GLU H H 1 6.833 0.05 . 1 . . . . 112 E HN . 17853 1 899 . 1 1 112 112 GLU HA H 1 4.881 0.05 . 1 . . . . 112 E HA . 17853 1 900 . 1 1 112 112 GLU HB2 H 1 2.314 0.05 . 2 . . . . 112 E HB1 . 17853 1 901 . 1 1 112 112 GLU CA C 13 53.622 0.4 . 1 . . . . 112 E CA . 17853 1 902 . 1 1 112 112 GLU CB C 13 30.743 0.4 . 1 . . . . 112 E CB . 17853 1 903 . 1 1 112 112 GLU N N 15 120.639 0.1 . 1 . . . . 112 E N . 17853 1 904 . 1 1 113 113 PRO HA H 1 4.540 0.05 . 1 . . . . 113 P HA . 17853 1 905 . 1 1 113 113 PRO HB2 H 1 2.301 0.05 . 1 . . . . 113 P HB1 . 17853 1 906 . 1 1 113 113 PRO HD2 H 1 3.656 0.05 . 2 . . . . 113 P HD1 . 17853 1 907 . 1 1 113 113 PRO C C 13 179.299 0.4 . 1 . . . . 113 P C . 17853 1 908 . 1 1 113 113 PRO CA C 13 62.268 0.4 . 1 . . . . 113 P CA . 17853 1 909 . 1 1 113 113 PRO CB C 13 32.416 0.4 . 1 . . . . 113 P CB . 17853 1 910 . 1 1 113 113 PRO CD C 13 50.200 0.4 . 1 . . . . 113 P CD . 17853 1 911 . 1 1 114 114 LEU H H 1 10.054 0.05 . 1 . . . . 114 L HN . 17853 1 912 . 1 1 114 114 LEU HA H 1 3.743 0.05 . 1 . . . . 114 L HA . 17853 1 913 . 1 1 114 114 LEU HB2 H 1 1.683 0.05 . 1 . . . . 114 L HB1 . 17853 1 914 . 1 1 114 114 LEU HD11 H 1 0.479 0.05 . 2 . . . . 114 L HD11 . 17853 1 915 . 1 1 114 114 LEU HD12 H 1 0.479 0.05 . 2 . . . . 114 L HD12 . 17853 1 916 . 1 1 114 114 LEU HD13 H 1 0.479 0.05 . 2 . . . . 114 L HD13 . 17853 1 917 . 1 1 114 114 LEU HD21 H 1 -0.033 0.05 . 2 . . . . 114 L HD21 . 17853 1 918 . 1 1 114 114 LEU HD22 H 1 -0.033 0.05 . 2 . . . . 114 L HD22 . 17853 1 919 . 1 1 114 114 LEU HD23 H 1 -0.033 0.05 . 2 . . . . 114 L HD23 . 17853 1 920 . 1 1 114 114 LEU C C 13 177.994 0.4 . 1 . . . . 114 L C . 17853 1 921 . 1 1 114 114 LEU CA C 13 59.425 0.4 . 1 . . . . 114 L CA . 17853 1 922 . 1 1 114 114 LEU CB C 13 41.137 0.4 . 1 . . . . 114 L CB . 17853 1 923 . 1 1 114 114 LEU CD1 C 13 23.200 0.4 . 2 . . . . 114 L CD1 . 17853 1 924 . 1 1 114 114 LEU CD2 C 13 26.200 0.4 . 2 . . . . 114 L CD2 . 17853 1 925 . 1 1 114 114 LEU N N 15 127.439 0.1 . 1 . . . . 114 L N . 17853 1 926 . 1 1 115 115 MET H H 1 8.091 0.05 . 1 . . . . 115 M HN . 17853 1 927 . 1 1 115 115 MET HA H 1 4.522 0.05 . 1 . . . . 115 M HA . 17853 1 928 . 1 1 115 115 MET HB2 H 1 2.170 0.05 . 1 . . . . 115 M HB1 . 17853 1 929 . 1 1 115 115 MET C C 13 180.379 0.4 . 1 . . . . 115 M C . 17853 1 930 . 1 1 115 115 MET CA C 13 55.376 0.4 . 1 . . . . 115 M CA . 17853 1 931 . 1 1 115 115 MET CB C 13 28.735 0.4 . 1 . . . . 115 M CB . 17853 1 932 . 1 1 115 115 MET N N 15 111.936 0.1 . 1 . . . . 115 M N . 17853 1 933 . 1 1 116 116 GLU H H 1 6.948 0.05 . 1 . . . . 116 E HN . 17853 1 934 . 1 1 116 116 GLU HA H 1 4.137 0.05 . 1 . . . . 116 E HA . 17853 1 935 . 1 1 116 116 GLU HB2 H 1 2.197 0.05 . 1 . . . . 116 E HB1 . 17853 1 936 . 1 1 116 116 GLU C C 13 179.342 0.4 . 1 . . . . 116 E C . 17853 1 937 . 1 1 116 116 GLU CA C 13 59.123 0.4 . 1 . . . . 116 E CA . 17853 1 938 . 1 1 116 116 GLU CB C 13 29.702 0.4 . 1 . . . . 116 E CB . 17853 1 939 . 1 1 116 116 GLU N N 15 117.874 0.1 . 1 . . . . 116 E N . 17853 1 940 . 1 1 117 117 GLN H H 1 7.635 0.05 . 1 . . . . 117 Q HN . 17853 1 941 . 1 1 117 117 GLN HA H 1 4.146 0.05 . 1 . . . . 117 Q HA . 17853 1 942 . 1 1 117 117 GLN HB2 H 1 2.255 0.05 . 1 . . . . 117 Q HB1 . 17853 1 943 . 1 1 117 117 GLN HB3 H 1 2.162 0.05 . 1 . . . . 117 Q HB2 . 17853 1 944 . 1 1 117 117 GLN HG2 H 1 2.487 0.05 . 2 . . . . 117 Q HG1 . 17853 1 945 . 1 1 117 117 GLN C C 13 178.658 0.4 . 1 . . . . 117 Q C . 17853 1 946 . 1 1 117 117 GLN CA C 13 59.819 0.4 . 1 . . . . 117 Q CA . 17853 1 947 . 1 1 117 117 GLN CB C 13 29.741 0.4 . 1 . . . . 117 Q CB . 17853 1 948 . 1 1 117 117 GLN CG C 13 34.900 0.4 . 1 . . . . 117 Q CG . 17853 1 949 . 1 1 117 117 GLN N N 15 119.158 0.1 . 1 . . . . 117 Q N . 17853 1 950 . 1 1 118 118 VAL H H 1 7.680 0.05 . 1 . . . . 118 V HN . 17853 1 951 . 1 1 118 118 VAL HA H 1 2.322 0.05 . 1 . . . . 118 V HA . 17853 1 952 . 1 1 118 118 VAL HB H 1 1.896 0.05 . 1 . . . . 118 V HB . 17853 1 953 . 1 1 118 118 VAL HG11 H 1 0.559 0.05 . 2 . . . . 118 V HG11 . 17853 1 954 . 1 1 118 118 VAL HG12 H 1 0.559 0.05 . 2 . . . . 118 V HG12 . 17853 1 955 . 1 1 118 118 VAL HG13 H 1 0.559 0.05 . 2 . . . . 118 V HG13 . 17853 1 956 . 1 1 118 118 VAL HG21 H 1 0.479 0.05 . 2 . . . . 118 V HG21 . 17853 1 957 . 1 1 118 118 VAL HG22 H 1 0.479 0.05 . 2 . . . . 118 V HG22 . 17853 1 958 . 1 1 118 118 VAL HG23 H 1 0.479 0.05 . 2 . . . . 118 V HG23 . 17853 1 959 . 1 1 118 118 VAL C C 13 175.333 0.4 . 1 . . . . 118 V C . 17853 1 960 . 1 1 118 118 VAL CA C 13 63.289 0.4 . 1 . . . . 118 V CA . 17853 1 961 . 1 1 118 118 VAL CB C 13 31.274 0.4 . 1 . . . . 118 V CB . 17853 1 962 . 1 1 118 118 VAL CG1 C 13 21.500 0.4 . 2 . . . . 118 V CG1 . 17853 1 963 . 1 1 118 118 VAL CG2 C 13 22.400 0.4 . 2 . . . . 118 V CG2 . 17853 1 964 . 1 1 118 118 VAL N N 15 118.885 0.1 . 1 . . . . 118 V N . 17853 1 965 . 1 1 119 119 GLY H H 1 7.053 0.05 . 1 . . . . 119 G HN . 17853 1 966 . 1 1 119 119 GLY HA2 H 1 4.334 0.05 . 1 . . . . 119 G HA1 . 17853 1 967 . 1 1 119 119 GLY HA3 H 1 3.806 0.05 . 1 . . . . 119 G HA2 . 17853 1 968 . 1 1 119 119 GLY C C 13 174.157 0.4 . 1 . . . . 119 G C . 17853 1 969 . 1 1 119 119 GLY CA C 13 45.223 0.4 . 1 . . . . 119 G CA . 17853 1 970 . 1 1 119 119 GLY N N 15 102.287 0.1 . 1 . . . . 119 G N . 17853 1 971 . 1 1 120 120 THR H H 1 7.678 0.05 . 1 . . . . 120 T HN . 17853 1 972 . 1 1 120 120 THR HA H 1 4.570 0.05 . 1 . . . . 120 T HA . 17853 1 973 . 1 1 120 120 THR HB H 1 4.846 0.05 . 1 . . . . 120 T HB . 17853 1 974 . 1 1 120 120 THR HG21 H 1 1.658 0.05 . 1 . . . . 120 T HG21 . 17853 1 975 . 1 1 120 120 THR HG22 H 1 1.658 0.05 . 1 . . . . 120 T HG22 . 17853 1 976 . 1 1 120 120 THR HG23 H 1 1.658 0.05 . 1 . . . . 120 T HG23 . 17853 1 977 . 1 1 120 120 THR C C 13 174.912 0.4 . 1 . . . . 120 T C . 17853 1 978 . 1 1 120 120 THR CA C 13 61.127 0.4 . 1 . . . . 120 T CA . 17853 1 979 . 1 1 120 120 THR CB C 13 72.300 0.4 . 1 . . . . 120 T CB . 17853 1 980 . 1 1 120 120 THR CG2 C 13 22.100 0.4 . 1 . . . . 120 T CG2 . 17853 1 981 . 1 1 120 120 THR N N 15 110.671 0.1 . 1 . . . . 120 T N . 17853 1 982 . 1 1 121 121 GLU H H 1 9.014 0.05 . 1 . . . . 121 E HN . 17853 1 983 . 1 1 121 121 GLU HA H 1 4.075 0.05 . 1 . . . . 121 E HA . 17853 1 984 . 1 1 121 121 GLU HB2 H 1 2.145 0.05 . 1 . . . . 121 E HB1 . 17853 1 985 . 1 1 121 121 GLU HG2 H 1 2.440 0.05 . 2 . . . . 121 E HG1 . 17853 1 986 . 1 1 121 121 GLU C C 13 179.126 0.4 . 1 . . . . 121 E C . 17853 1 987 . 1 1 121 121 GLU CA C 13 59.732 0.4 . 1 . . . . 121 E CA . 17853 1 988 . 1 1 121 121 GLU CB C 13 29.537 0.4 . 1 . . . . 121 E CB . 17853 1 989 . 1 1 121 121 GLU CG C 13 36.300 0.4 . 1 . . . . 121 E CG . 17853 1 990 . 1 1 121 121 GLU N N 15 122.252 0.1 . 1 . . . . 121 E N . 17853 1 991 . 1 1 122 122 GLU H H 1 9.001 0.05 . 1 . . . . 122 E HN . 17853 1 992 . 1 1 122 122 GLU HA H 1 4.057 0.05 . 1 . . . . 122 E HA . 17853 1 993 . 1 1 122 122 GLU HB2 H 1 2.220 0.05 . 1 . . . . 122 E HB1 . 17853 1 994 . 1 1 122 122 GLU HB3 H 1 2.051 0.05 . 1 . . . . 122 E HB2 . 17853 1 995 . 1 1 122 122 GLU HG2 H 1 2.440 0.05 . 2 . . . . 122 E HG1 . 17853 1 996 . 1 1 122 122 GLU C C 13 178.437 0.4 . 1 . . . . 122 E C . 17853 1 997 . 1 1 122 122 GLU CA C 13 60.055 0.4 . 1 . . . . 122 E CA . 17853 1 998 . 1 1 122 122 GLU CB C 13 29.354 0.4 . 1 . . . . 122 E CB . 17853 1 999 . 1 1 122 122 GLU CG C 13 36.300 0.4 . 1 . . . . 122 E CG . 17853 1 1000 . 1 1 122 122 GLU N N 15 117.875 0.1 . 1 . . . . 122 E N . 17853 1 1001 . 1 1 123 123 PHE H H 1 7.767 0.05 . 1 . . . . 123 F HN . 17853 1 1002 . 1 1 123 123 PHE HA H 1 4.087 0.05 . 1 . . . . 123 F HA . 17853 1 1003 . 1 1 123 123 PHE HB2 H 1 3.470 0.05 . 1 . . . . 123 F HB1 . 17853 1 1004 . 1 1 123 123 PHE HB3 H 1 3.107 0.05 . 1 . . . . 123 F HB2 . 17853 1 1005 . 1 1 123 123 PHE C C 13 177.730 0.4 . 1 . . . . 123 F C . 17853 1 1006 . 1 1 123 123 PHE CA C 13 62.323 0.4 . 1 . . . . 123 F CA . 17853 1 1007 . 1 1 123 123 PHE CB C 13 40.658 0.4 . 1 . . . . 123 F CB . 17853 1 1008 . 1 1 123 123 PHE N N 15 121.513 0.1 . 1 . . . . 123 F N . 17853 1 1009 . 1 1 124 124 ILE H H 1 8.468 0.05 . 1 . . . . 124 I HN . 17853 1 1010 . 1 1 124 124 ILE HA H 1 3.412 0.05 . 1 . . . . 124 I HA . 17853 1 1011 . 1 1 124 124 ILE HB H 1 1.884 0.05 . 1 . . . . 124 I HB . 17853 1 1012 . 1 1 124 124 ILE HG12 H 1 1.467 0.05 . 2 . . . . 124 I HG11 . 17853 1 1013 . 1 1 124 124 ILE HG13 H 1 1.175 0.05 . 2 . . . . 124 I HG12 . 17853 1 1014 . 1 1 124 124 ILE HG21 H 1 0.868 0.05 . 1 . . . . 124 I HG21 . 17853 1 1015 . 1 1 124 124 ILE HG22 H 1 0.868 0.05 . 1 . . . . 124 I HG22 . 17853 1 1016 . 1 1 124 124 ILE HG23 H 1 0.868 0.05 . 1 . . . . 124 I HG23 . 17853 1 1017 . 1 1 124 124 ILE HD11 H 1 0.789 0.05 . 1 . . . . 124 I HD11 . 17853 1 1018 . 1 1 124 124 ILE HD12 H 1 0.789 0.05 . 1 . . . . 124 I HD12 . 17853 1 1019 . 1 1 124 124 ILE HD13 H 1 0.789 0.05 . 1 . . . . 124 I HD13 . 17853 1 1020 . 1 1 124 124 ILE C C 13 179.924 0.4 . 1 . . . . 124 I C . 17853 1 1021 . 1 1 124 124 ILE CA C 13 65.796 0.4 . 1 . . . . 124 I CA . 17853 1 1022 . 1 1 124 124 ILE CB C 13 38.734 0.4 . 1 . . . . 124 I CB . 17853 1 1023 . 1 1 124 124 ILE CG1 C 13 27.300 0.4 . 1 . . . . 124 I CG1 . 17853 1 1024 . 1 1 124 124 ILE CG2 C 13 17.400 0.4 . 1 . . . . 124 I CG2 . 17853 1 1025 . 1 1 124 124 ILE CD1 C 13 13.900 0.4 . 1 . . . . 124 I CD1 . 17853 1 1026 . 1 1 124 124 ILE N N 15 120.603 0.1 . 1 . . . . 124 I N . 17853 1 1027 . 1 1 125 125 LYS H H 1 8.817 0.05 . 1 . . . . 125 K HN . 17853 1 1028 . 1 1 125 125 LYS HA H 1 4.025 0.05 . 1 . . . . 125 K HA . 17853 1 1029 . 1 1 125 125 LYS HB2 H 1 1.911 0.05 . 1 . . . . 125 K HB1 . 17853 1 1030 . 1 1 125 125 LYS HG2 H 1 1.472 0.05 . 2 . . . . 125 K HG1 . 17853 1 1031 . 1 1 125 125 LYS HD2 H 1 1.728 0.05 . 2 . . . . 125 K HD1 . 17853 1 1032 . 1 1 125 125 LYS HE2 H 1 3.004 0.05 . 2 . . . . 125 K HE1 . 17853 1 1033 . 1 1 125 125 LYS C C 13 178.355 0.4 . 1 . . . . 125 K C . 17853 1 1034 . 1 1 125 125 LYS CA C 13 59.430 0.4 . 1 . . . . 125 K CA . 17853 1 1035 . 1 1 125 125 LYS CB C 13 32.312 0.4 . 1 . . . . 125 K CB . 17853 1 1036 . 1 1 125 125 LYS CG C 13 24.800 0.4 . 1 . . . . 125 K CG . 17853 1 1037 . 1 1 125 125 LYS CD C 13 28.900 0.4 . 1 . . . . 125 K CD . 17853 1 1038 . 1 1 125 125 LYS CE C 13 41.800 0.4 . 1 . . . . 125 K CE . 17853 1 1039 . 1 1 125 125 LYS N N 15 122.432 0.1 . 1 . . . . 125 K N . 17853 1 1040 . 1 1 126 126 ARG H H 1 7.640 0.05 . 1 . . . . 126 R HN . 17853 1 1041 . 1 1 126 126 ARG HA H 1 3.857 0.05 . 1 . . . . 126 R HA . 17853 1 1042 . 1 1 126 126 ARG HB2 H 1 1.406 0.05 . 1 . . . . 126 R HB1 . 17853 1 1043 . 1 1 126 126 ARG HB3 H 1 1.071 0.05 . 1 . . . . 126 R HB2 . 17853 1 1044 . 1 1 126 126 ARG HD2 H 1 3.108 0.05 . 2 . . . . 126 R HD1 . 17853 1 1045 . 1 1 126 126 ARG C C 13 178.555 0.4 . 1 . . . . 126 R C . 17853 1 1046 . 1 1 126 126 ARG CA C 13 59.232 0.4 . 1 . . . . 126 R CA . 17853 1 1047 . 1 1 126 126 ARG CB C 13 31.248 0.4 . 1 . . . . 126 R CB . 17853 1 1048 . 1 1 126 126 ARG CD C 13 43.400 0.4 . 1 . . . . 126 R CD . 17853 1 1049 . 1 1 126 126 ARG N N 15 118.123 0.1 . 1 . . . . 126 R N . 17853 1 1050 . 1 1 127 127 PHE H H 1 8.186 0.05 . 1 . . . . 127 F HN . 17853 1 1051 . 1 1 127 127 PHE HA H 1 4.724 0.05 . 1 . . . . 127 F HA . 17853 1 1052 . 1 1 127 127 PHE HB2 H 1 3.056 0.05 . 1 . . . . 127 F HB1 . 17853 1 1053 . 1 1 127 127 PHE HB3 H 1 1.941 0.05 . 1 . . . . 127 F HB2 . 17853 1 1054 . 1 1 127 127 PHE C C 13 176.571 0.4 . 1 . . . . 127 F C . 17853 1 1055 . 1 1 127 127 PHE CA C 13 58.448 0.4 . 1 . . . . 127 F CA . 17853 1 1056 . 1 1 127 127 PHE CB C 13 40.645 0.4 . 1 . . . . 127 F CB . 17853 1 1057 . 1 1 127 127 PHE N N 15 112.818 0.1 . 1 . . . . 127 F N . 17853 1 1058 . 1 1 128 128 GLY H H 1 8.181 0.05 . 1 . . . . 128 G HN . 17853 1 1059 . 1 1 128 128 GLY HA2 H 1 3.734 0.05 . 1 . . . . 128 G HA1 . 17853 1 1060 . 1 1 128 128 GLY C C 13 173.612 0.4 . 1 . . . . 128 G C . 17853 1 1061 . 1 1 128 128 GLY CA C 13 46.610 0.4 . 1 . . . . 128 G CA . 17853 1 1062 . 1 1 128 128 GLY N N 15 107.675 0.1 . 1 . . . . 128 G N . 17853 1 1063 . 1 1 129 129 ASP H H 1 8.807 0.05 . 1 . . . . 129 D HN . 17853 1 1064 . 1 1 129 129 ASP HA H 1 4.236 0.05 . 1 . . . . 129 D HA . 17853 1 1065 . 1 1 129 129 ASP HB2 H 1 2.993 0.05 . 1 . . . . 129 D HB1 . 17853 1 1066 . 1 1 129 129 ASP HB3 H 1 2.638 0.05 . 1 . . . . 129 D HB2 . 17853 1 1067 . 1 1 129 129 ASP C C 13 175.005 0.4 . 1 . . . . 129 D C . 17853 1 1068 . 1 1 129 129 ASP CA C 13 55.670 0.4 . 1 . . . . 129 D CA . 17853 1 1069 . 1 1 129 129 ASP CB C 13 40.307 0.4 . 1 . . . . 129 D CB . 17853 1 1070 . 1 1 129 129 ASP N N 15 117.784 0.1 . 1 . . . . 129 D N . 17853 1 1071 . 1 1 130 130 GLY H H 1 8.293 0.05 . 1 . . . . 130 G HN . 17853 1 1072 . 1 1 130 130 GLY HA2 H 1 4.338 0.05 . 1 . . . . 130 G HA1 . 17853 1 1073 . 1 1 130 130 GLY HA3 H 1 3.543 0.05 . 1 . . . . 130 G HA2 . 17853 1 1074 . 1 1 130 130 GLY C C 13 174.626 0.4 . 1 . . . . 130 G C . 17853 1 1075 . 1 1 130 130 GLY CA C 13 44.661 0.4 . 1 . . . . 130 G CA . 17853 1 1076 . 1 1 130 130 GLY N N 15 103.603 0.1 . 1 . . . . 130 G N . 17853 1 1077 . 1 1 131 131 ALA H H 1 7.894 0.05 . 1 . . . . 131 A HN . 17853 1 1078 . 1 1 131 131 ALA HA H 1 4.171 0.05 . 1 . . . . 131 A HA . 17853 1 1079 . 1 1 131 131 ALA HB1 H 1 1.454 0.05 . 1 . . . . 131 A HB1 . 17853 1 1080 . 1 1 131 131 ALA HB2 H 1 1.454 0.05 . 1 . . . . 131 A HB2 . 17853 1 1081 . 1 1 131 131 ALA HB3 H 1 1.454 0.05 . 1 . . . . 131 A HB3 . 17853 1 1082 . 1 1 131 131 ALA C C 13 176.743 0.4 . 1 . . . . 131 A C . 17853 1 1083 . 1 1 131 131 ALA CA C 13 51.573 0.4 . 1 . . . . 131 A CA . 17853 1 1084 . 1 1 131 131 ALA CB C 13 21.366 0.4 . 1 . . . . 131 A CB . 17853 1 1085 . 1 1 131 131 ALA N N 15 121.802 0.1 . 1 . . . . 131 A N . 17853 1 1086 . 1 1 132 132 SER H H 1 8.069 0.05 . 1 . . . . 132 S HN . 17853 1 1087 . 1 1 132 132 SER HA H 1 4.405 0.05 . 1 . . . . 132 S HA . 17853 1 1088 . 1 1 132 132 SER HB2 H 1 4.029 0.05 . 1 . . . . 132 S HB1 . 17853 1 1089 . 1 1 132 132 SER HB3 H 1 3.821 0.05 . 1 . . . . 132 S HB2 . 17853 1 1090 . 1 1 132 132 SER C C 13 173.323 0.4 . 1 . . . . 132 S C . 17853 1 1091 . 1 1 132 132 SER CA C 13 60.946 0.4 . 1 . . . . 132 S CA . 17853 1 1092 . 1 1 132 132 SER CB C 13 63.858 0.4 . 1 . . . . 132 S CB . 17853 1 1093 . 1 1 132 132 SER N N 15 112.560 0.1 . 1 . . . . 132 S N . 17853 1 1094 . 1 1 133 133 ARG H H 1 7.327 0.05 . 1 . . . . 133 R HN . 17853 1 1095 . 1 1 133 133 ARG HA H 1 4.559 0.05 . 1 . . . . 133 R HA . 17853 1 1096 . 1 1 133 133 ARG HB2 H 1 2.319 0.05 . 1 . . . . 133 R HB1 . 17853 1 1097 . 1 1 133 133 ARG HB3 H 1 1.796 0.05 . 1 . . . . 133 R HB2 . 17853 1 1098 . 1 1 133 133 ARG C C 13 172.181 0.4 . 1 . . . . 133 R C . 17853 1 1099 . 1 1 133 133 ARG CA C 13 55.620 0.4 . 1 . . . . 133 R CA . 17853 1 1100 . 1 1 133 133 ARG CB C 13 28.219 0.4 . 1 . . . . 133 R CB . 17853 1 1101 . 1 1 133 133 ARG N N 15 112.112 0.1 . 1 . . . . 133 R N . 17853 1 1102 . 1 1 134 134 VAL H H 1 8.956 0.05 . 1 . . . . 134 V HN . 17853 1 1103 . 1 1 134 134 VAL HA H 1 5.262 0.05 . 1 . . . . 134 V HA . 17853 1 1104 . 1 1 134 134 VAL HB H 1 1.996 0.05 . 1 . . . . 134 V HB . 17853 1 1105 . 1 1 134 134 VAL HG11 H 1 1.075 0.05 . 2 . . . . 134 V HG11 . 17853 1 1106 . 1 1 134 134 VAL HG12 H 1 1.075 0.05 . 2 . . . . 134 V HG12 . 17853 1 1107 . 1 1 134 134 VAL HG13 H 1 1.075 0.05 . 2 . . . . 134 V HG13 . 17853 1 1108 . 1 1 134 134 VAL HG21 H 1 0.821 0.05 . 2 . . . . 134 V HG21 . 17853 1 1109 . 1 1 134 134 VAL HG22 H 1 0.821 0.05 . 2 . . . . 134 V HG22 . 17853 1 1110 . 1 1 134 134 VAL HG23 H 1 0.821 0.05 . 2 . . . . 134 V HG23 . 17853 1 1111 . 1 1 134 134 VAL C C 13 174.417 0.4 . 1 . . . . 134 V C . 17853 1 1112 . 1 1 134 134 VAL CA C 13 60.457 0.4 . 1 . . . . 134 V CA . 17853 1 1113 . 1 1 134 134 VAL CB C 13 34.223 0.4 . 1 . . . . 134 V CB . 17853 1 1114 . 1 1 134 134 VAL CG1 C 13 21.500 0.4 . 2 . . . . 134 V CG1 . 17853 1 1115 . 1 1 134 134 VAL CG2 C 13 21.500 0.4 . 2 . . . . 134 V CG2 . 17853 1 1116 . 1 1 134 134 VAL N N 15 120.525 0.1 . 1 . . . . 134 V N . 17853 1 1117 . 1 1 135 135 VAL H H 1 9.303 0.05 . 1 . . . . 135 V HN . 17853 1 1118 . 1 1 135 135 VAL HA H 1 4.176 0.05 . 1 . . . . 135 V HA . 17853 1 1119 . 1 1 135 135 VAL HB H 1 1.866 0.05 . 1 . . . . 135 V HB . 17853 1 1120 . 1 1 135 135 VAL C C 13 174.327 0.4 . 1 . . . . 135 V C . 17853 1 1121 . 1 1 135 135 VAL CA C 13 60.784 0.4 . 1 . . . . 135 V CA . 17853 1 1122 . 1 1 135 135 VAL CB C 13 35.398 0.4 . 1 . . . . 135 V CB . 17853 1 1123 . 1 1 135 135 VAL N N 15 129.672 0.1 . 1 . . . . 135 V N . 17853 1 1124 . 1 1 136 136 LEU H H 1 7.973 0.05 . 1 . . . . 136 L HN . 17853 1 1125 . 1 1 136 136 LEU HA H 1 4.458 0.05 . 1 . . . . 136 L HA . 17853 1 1126 . 1 1 136 136 LEU HB2 H 1 1.724 0.05 . 1 . . . . 136 L HB1 . 17853 1 1127 . 1 1 136 136 LEU HG H 1 1.006 0.05 . 1 . . . . 136 L HG . 17853 1 1128 . 1 1 136 136 LEU HD11 H 1 0.964 0.05 . 2 . . . . 136 L HD11 . 17853 1 1129 . 1 1 136 136 LEU HD12 H 1 0.964 0.05 . 2 . . . . 136 L HD12 . 17853 1 1130 . 1 1 136 136 LEU HD13 H 1 0.964 0.05 . 2 . . . . 136 L HD13 . 17853 1 1131 . 1 1 136 136 LEU HD21 H 1 0.911 0.05 . 2 . . . . 136 L HD21 . 17853 1 1132 . 1 1 136 136 LEU HD22 H 1 0.911 0.05 . 2 . . . . 136 L HD22 . 17853 1 1133 . 1 1 136 136 LEU HD23 H 1 0.911 0.05 . 2 . . . . 136 L HD23 . 17853 1 1134 . 1 1 136 136 LEU C C 13 177.465 0.4 . 1 . . . . 136 L C . 17853 1 1135 . 1 1 136 136 LEU CA C 13 55.486 0.4 . 1 . . . . 136 L CA . 17853 1 1136 . 1 1 136 136 LEU CB C 13 42.342 0.4 . 1 . . . . 136 L CB . 17853 1 1137 . 1 1 136 136 LEU CG C 13 25.900 0.4 . 1 . . . . 136 L CG . 17853 1 1138 . 1 1 136 136 LEU CD1 C 13 25.600 0.4 . 2 . . . . 136 L CD1 . 17853 1 1139 . 1 1 136 136 LEU CD2 C 13 23.700 0.4 . 2 . . . . 136 L CD2 . 17853 1 1140 . 1 1 136 136 LEU N N 15 123.083 0.1 . 1 . . . . 136 L N . 17853 1 1141 . 1 1 137 137 SER H H 1 8.293 0.05 . 1 . . . . 137 S HN . 17853 1 1142 . 1 1 137 137 SER HA H 1 4.589 0.05 . 1 . . . . 137 S HA . 17853 1 1143 . 1 1 137 137 SER HB2 H 1 4.082 0.05 . 1 . . . . 137 S HB1 . 17853 1 1144 . 1 1 137 137 SER HB3 H 1 3.950 0.05 . 1 . . . . 137 S HB2 . 17853 1 1145 . 1 1 137 137 SER C C 13 174.499 0.4 . 1 . . . . 137 S C . 17853 1 1146 . 1 1 137 137 SER CA C 13 58.807 0.4 . 1 . . . . 137 S CA . 17853 1 1147 . 1 1 137 137 SER CB C 13 63.972 0.4 . 1 . . . . 137 S CB . 17853 1 1148 . 1 1 137 137 SER N N 15 115.884 0.1 . 1 . . . . 137 S N . 17853 1 1149 . 1 1 138 138 LEU H H 1 8.202 0.05 . 1 . . . . 138 L HN . 17853 1 1150 . 1 1 138 138 LEU HA H 1 5.080 0.05 . 1 . . . . 138 L HA . 17853 1 1151 . 1 1 138 138 LEU CA C 13 57.093 0.4 . 1 . . . . 138 L CA . 17853 1 1152 . 1 1 138 138 LEU CB C 13 39.953 0.4 . 1 . . . . 138 L CB . 17853 1 1153 . 1 1 138 138 LEU N N 15 117.987 0.1 . 1 . . . . 138 L N . 17853 1 1154 . 1 1 139 139 PRO HA H 1 4.545 0.05 . 1 . . . . 139 P HA . 17853 1 1155 . 1 1 139 139 PRO HB2 H 1 2.274 0.05 . 2 . . . . 139 P HB1 . 17853 1 1156 . 1 1 139 139 PRO HB3 H 1 1.837 0.05 . 2 . . . . 139 P HB2 . 17853 1 1157 . 1 1 139 139 PRO C C 13 176.346 0.4 . 1 . . . . 139 P C . 17853 1 1158 . 1 1 139 139 PRO CA C 13 63.473 0.4 . 1 . . . . 139 P CA . 17853 1 1159 . 1 1 139 139 PRO CB C 13 31.718 0.4 . 1 . . . . 139 P CB . 17853 1 1160 . 1 1 140 140 PHE H H 1 8.180 0.05 . 1 . . . . 140 F HN . 17853 1 1161 . 1 1 140 140 PHE HA H 1 4.595 0.05 . 1 . . . . 140 F HA . 17853 1 1162 . 1 1 140 140 PHE CA C 13 57.975 0.4 . 1 . . . . 140 F CA . 17853 1 1163 . 1 1 140 140 PHE CB C 13 40.108 0.4 . 1 . . . . 140 F CB . 17853 1 1164 . 1 1 140 140 PHE N N 15 121.815 0.1 . 1 . . . . 140 F N . 17853 1 1165 . 1 1 141 141 ALA HA H 1 4.407 0.05 . 1 . . . . 141 A HA . 17853 1 1166 . 1 1 141 141 ALA HB1 H 1 1.385 0.05 . 1 . . . . 141 A HB1 . 17853 1 1167 . 1 1 141 141 ALA HB2 H 1 1.244 0.05 . 1 . . . . 141 A HB2 . 17853 1 1168 . 1 1 141 141 ALA HB3 H 1 1.385 0.05 . 1 . . . . 141 A HB3 . 17853 1 1169 . 1 1 141 141 ALA C C 13 177.079 0.4 . 1 . . . . 141 A C . 17853 1 1170 . 1 1 141 141 ALA CA C 13 51.152 0.4 . 1 . . . . 141 A CA . 17853 1 1171 . 1 1 141 141 ALA CB C 13 20.188 0.4 . 1 . . . . 141 A CB . 17853 1 1172 . 1 1 142 142 GLU H H 1 8.608 0.05 . 1 . . . . 142 E HN . 17853 1 1173 . 1 1 142 142 GLU HA H 1 4.144 0.05 . 1 . . . . 142 E HA . 17853 1 1174 . 1 1 142 142 GLU HB2 H 1 2.046 0.05 . 1 . . . . 142 E HB1 . 17853 1 1175 . 1 1 142 142 GLU HG2 H 1 2.357 0.05 . 2 . . . . 142 E HG1 . 17853 1 1176 . 1 1 142 142 GLU HG3 H 1 2.436 0.05 . 2 . . . . 142 E HG2 . 17853 1 1177 . 1 1 142 142 GLU C C 13 177.745 0.4 . 1 . . . . 142 E C . 17853 1 1178 . 1 1 142 142 GLU CA C 13 58.056 0.4 . 1 . . . . 142 E CA . 17853 1 1179 . 1 1 142 142 GLU CB C 13 29.355 0.4 . 1 . . . . 142 E CB . 17853 1 1180 . 1 1 142 142 GLU CG C 13 36.000 0.4 . 1 . . . . 142 E CG . 17853 1 1181 . 1 1 142 142 GLU N N 15 121.746 0.1 . 1 . . . . 142 E N . 17853 1 1182 . 1 1 143 143 GLY H H 1 8.907 0.05 . 1 . . . . 143 G HN . 17853 1 1183 . 1 1 143 143 GLY HA2 H 1 4.242 0.05 . 1 . . . . 143 G HA1 . 17853 1 1184 . 1 1 143 143 GLY HA3 H 1 3.856 0.05 . 1 . . . . 143 G HA2 . 17853 1 1185 . 1 1 143 143 GLY C C 13 174.461 0.4 . 1 . . . . 143 G C . 17853 1 1186 . 1 1 143 143 GLY CA C 13 45.431 0.4 . 1 . . . . 143 G CA . 17853 1 1187 . 1 1 143 143 GLY N N 15 112.905 0.1 . 1 . . . . 143 G N . 17853 1 1188 . 1 1 144 144 SER H H 1 7.964 0.05 . 1 . . . . 144 S HN . 17853 1 1189 . 1 1 144 144 SER HA H 1 4.651 0.05 . 1 . . . . 144 S HA . 17853 1 1190 . 1 1 144 144 SER HB2 H 1 3.972 0.05 . 1 . . . . 144 S HB1 . 17853 1 1191 . 1 1 144 144 SER C C 13 174.872 0.4 . 1 . . . . 144 S C . 17853 1 1192 . 1 1 144 144 SER CA C 13 58.028 0.4 . 1 . . . . 144 S CA . 17853 1 1193 . 1 1 144 144 SER CB C 13 64.429 0.4 . 1 . . . . 144 S CB . 17853 1 1194 . 1 1 144 144 SER N N 15 115.137 0.1 . 1 . . . . 144 S N . 17853 1 1195 . 1 1 145 145 SER H H 1 8.800 0.05 . 1 . . . . 145 S HN . 17853 1 1196 . 1 1 145 145 SER HA H 1 4.562 0.05 . 1 . . . . 145 S HA . 17853 1 1197 . 1 1 145 145 SER HB2 H 1 3.988 0.05 . 1 . . . . 145 S HB1 . 17853 1 1198 . 1 1 145 145 SER HB3 H 1 3.884 0.05 . 1 . . . . 145 S HB2 . 17853 1 1199 . 1 1 145 145 SER C C 13 174.940 0.4 . 1 . . . . 145 S C . 17853 1 1200 . 1 1 145 145 SER CA C 13 58.431 0.4 . 1 . . . . 145 S CA . 17853 1 1201 . 1 1 145 145 SER CB C 13 64.123 0.4 . 1 . . . . 145 S CB . 17853 1 1202 . 1 1 145 145 SER N N 15 118.508 0.1 . 1 . . . . 145 S N . 17853 1 1203 . 1 1 146 146 SER H H 1 8.524 0.05 . 1 . . . . 146 S HN . 17853 1 1204 . 1 1 146 146 SER HA H 1 4.475 0.05 . 1 . . . . 146 S HA . 17853 1 1205 . 1 1 146 146 SER HB2 H 1 3.916 0.05 . 1 . . . . 146 S HB1 . 17853 1 1206 . 1 1 146 146 SER C C 13 174.502 0.4 . 1 . . . . 146 S C . 17853 1 1207 . 1 1 146 146 SER CA C 13 58.338 0.4 . 1 . . . . 146 S CA . 17853 1 1208 . 1 1 146 146 SER CB C 13 63.932 0.4 . 1 . . . . 146 S CB . 17853 1 1209 . 1 1 146 146 SER N N 15 117.789 0.1 . 1 . . . . 146 S N . 17853 1 1210 . 1 1 147 147 VAL H H 1 8.273 0.05 . 1 . . . . 147 V HN . 17853 1 1211 . 1 1 147 147 VAL HA H 1 4.479 0.05 . 1 . . . . 147 V HA . 17853 1 1212 . 1 1 147 147 VAL HB H 1 2.092 0.05 . 1 . . . . 147 V HB . 17853 1 1213 . 1 1 147 147 VAL C C 13 175.632 0.4 . 1 . . . . 147 V C . 17853 1 1214 . 1 1 147 147 VAL CA C 13 60.671 0.4 . 1 . . . . 147 V CA . 17853 1 1215 . 1 1 147 147 VAL CB C 13 30.442 0.4 . 1 . . . . 147 V CB . 17853 1 1216 . 1 1 147 147 VAL N N 15 120.585 0.1 . 1 . . . . 147 V N . 17853 1 1217 . 1 1 148 148 GLU H H 1 8.395 0.05 . 1 . . . . 148 E HN . 17853 1 1218 . 1 1 148 148 GLU HA H 1 4.496 0.05 . 1 . . . . 148 E HA . 17853 1 1219 . 1 1 148 148 GLU C C 13 173.785 0.4 . 1 . . . . 148 E C . 17853 1 1220 . 1 1 148 148 GLU CA C 13 54.728 0.4 . 1 . . . . 148 E CA . 17853 1 1221 . 1 1 148 148 GLU CB C 13 32.451 0.4 . 1 . . . . 148 E CB . 17853 1 1222 . 1 1 148 148 GLU N N 15 124.243 0.1 . 1 . . . . 148 E N . 17853 1 1223 . 1 1 149 149 TYR H H 1 9.102 0.05 . 1 . . . . 149 Y HN . 17853 1 1224 . 1 1 149 149 TYR HA H 1 5.604 0.05 . 1 . . . . 149 Y HA . 17853 1 1225 . 1 1 149 149 TYR HB2 H 1 3.198 0.05 . 1 . . . . 149 Y HB1 . 17853 1 1226 . 1 1 149 149 TYR HB3 H 1 2.756 0.05 . 1 . . . . 149 Y HB2 . 17853 1 1227 . 1 1 149 149 TYR C C 13 175.165 0.4 . 1 . . . . 149 Y C . 17853 1 1228 . 1 1 149 149 TYR CA C 13 55.575 0.4 . 1 . . . . 149 Y CA . 17853 1 1229 . 1 1 149 149 TYR CB C 13 39.025 0.4 . 1 . . . . 149 Y CB . 17853 1 1230 . 1 1 149 149 TYR N N 15 122.412 0.1 . 1 . . . . 149 Y N . 17853 1 1231 . 1 1 150 150 ILE H H 1 9.305 0.05 . 1 . . . . 150 I HN . 17853 1 1232 . 1 1 150 150 ILE HA H 1 4.197 0.05 . 1 . . . . 150 I HA . 17853 1 1233 . 1 1 150 150 ILE HB H 1 2.162 0.05 . 1 . . . . 150 I HB . 17853 1 1234 . 1 1 150 150 ILE C C 13 174.227 0.4 . 1 . . . . 150 I C . 17853 1 1235 . 1 1 150 150 ILE CA C 13 57.578 0.4 . 1 . . . . 150 I CA . 17853 1 1236 . 1 1 150 150 ILE CB C 13 39.200 0.4 . 1 . . . . 150 I CB . 17853 1 1237 . 1 1 150 150 ILE N N 15 119.630 0.1 . 1 . . . . 150 I N . 17853 1 1238 . 1 1 151 151 ASN H H 1 8.334 0.05 . 1 . . . . 151 N HN . 17853 1 1239 . 1 1 151 151 ASN HA H 1 5.074 0.05 . 1 . . . . 151 N HA . 17853 1 1240 . 1 1 151 151 ASN HB2 H 1 2.338 0.05 . 2 . . . . 151 N HB1 . 17853 1 1241 . 1 1 151 151 ASN C C 13 174.968 0.4 . 1 . . . . 151 N C . 17853 1 1242 . 1 1 151 151 ASN CA C 13 51.217 0.4 . 1 . . . . 151 N CA . 17853 1 1243 . 1 1 151 151 ASN CB C 13 41.183 0.4 . 1 . . . . 151 N CB . 17853 1 1244 . 1 1 151 151 ASN N N 15 122.599 0.1 . 1 . . . . 151 N N . 17853 1 1245 . 1 1 152 152 ASN H H 1 9.096 0.05 . 1 . . . . 152 N HN . 17853 1 1246 . 1 1 152 152 ASN HA H 1 4.805 0.05 . 1 . . . . 152 N HA . 17853 1 1247 . 1 1 152 152 ASN HB2 H 1 2.439 0.05 . 1 . . . . 152 N HB1 . 17853 1 1248 . 1 1 152 152 ASN C C 13 176.148 0.4 . 1 . . . . 152 N C . 17853 1 1249 . 1 1 152 152 ASN CA C 13 52.985 0.4 . 1 . . . . 152 N CA . 17853 1 1250 . 1 1 152 152 ASN CB C 13 40.221 0.4 . 1 . . . . 152 N CB . 17853 1 1251 . 1 1 152 152 ASN N N 15 125.153 0.1 . 1 . . . . 152 N N . 17853 1 1252 . 1 1 153 153 TRP H H 1 9.380 0.05 . 1 . . . . 153 W HN . 17853 1 1253 . 1 1 153 153 TRP HA H 1 4.241 0.05 . 1 . . . . 153 W HA . 17853 1 1254 . 1 1 153 153 TRP HB2 H 1 3.223 0.05 . 1 . . . . 153 W HB1 . 17853 1 1255 . 1 1 153 153 TRP C C 13 178.060 0.4 . 1 . . . . 153 W C . 17853 1 1256 . 1 1 153 153 TRP CA C 13 61.631 0.4 . 1 . . . . 153 W CA . 17853 1 1257 . 1 1 153 153 TRP CB C 13 30.744 0.4 . 1 . . . . 153 W CB . 17853 1 1258 . 1 1 153 153 TRP N N 15 126.839 0.1 . 1 . . . . 153 W N . 17853 1 1259 . 1 1 154 154 GLU H H 1 7.831 0.05 . 1 . . . . 154 E HN . 17853 1 1260 . 1 1 154 154 GLU HA H 1 4.227 0.05 . 1 . . . . 154 E HA . 17853 1 1261 . 1 1 154 154 GLU HB2 H 1 2.427 0.05 . 1 . . . . 154 E HB1 . 17853 1 1262 . 1 1 154 154 GLU HB3 H 1 2.269 0.05 . 1 . . . . 154 E HB2 . 17853 1 1263 . 1 1 154 154 GLU HG2 H 1 2.572 0.05 . 2 . . . . 154 E HG1 . 17853 1 1264 . 1 1 154 154 GLU C C 13 180.812 0.4 . 1 . . . . 154 E C . 17853 1 1265 . 1 1 154 154 GLU CA C 13 59.702 0.4 . 1 . . . . 154 E CA . 17853 1 1266 . 1 1 154 154 GLU CB C 13 28.621 0.4 . 1 . . . . 154 E CB . 17853 1 1267 . 1 1 154 154 GLU CG C 13 36.000 0.4 . 1 . . . . 154 E CG . 17853 1 1268 . 1 1 154 154 GLU N N 15 118.391 0.1 . 1 . . . . 154 E N . 17853 1 1269 . 1 1 155 155 GLN H H 1 8.873 0.05 . 1 . . . . 155 Q HN . 17853 1 1270 . 1 1 155 155 GLN HA H 1 4.297 0.05 . 1 . . . . 155 Q HA . 17853 1 1271 . 1 1 155 155 GLN HB2 H 1 2.241 0.05 . 2 . . . . 155 Q HB1 . 17853 1 1272 . 1 1 155 155 GLN HG2 H 1 2.456 0.05 . 2 . . . . 155 Q HG1 . 17853 1 1273 . 1 1 155 155 GLN C C 13 179.345 0.4 . 1 . . . . 155 Q C . 17853 1 1274 . 1 1 155 155 GLN CA C 13 57.545 0.4 . 1 . . . . 155 Q CA . 17853 1 1275 . 1 1 155 155 GLN CB C 13 26.996 0.4 . 1 . . . . 155 Q CB . 17853 1 1276 . 1 1 155 155 GLN CG C 13 32.700 0.4 . 1 . . . . 155 Q CG . 17853 1 1277 . 1 1 155 155 GLN N N 15 118.461 0.1 . 1 . . . . 155 Q N . 17853 1 1278 . 1 1 156 156 ALA H H 1 8.588 0.05 . 1 . . . . 156 A HN . 17853 1 1279 . 1 1 156 156 ALA HA H 1 4.107 0.05 . 1 . . . . 156 A HA . 17853 1 1280 . 1 1 156 156 ALA HB1 H 1 1.170 0.05 . 1 . . . . 156 A HB1 . 17853 1 1281 . 1 1 156 156 ALA HB2 H 1 1.170 0.05 . 1 . . . . 156 A HB2 . 17853 1 1282 . 1 1 156 156 ALA HB3 H 1 1.170 0.05 . 1 . . . . 156 A HB3 . 17853 1 1283 . 1 1 156 156 ALA C C 13 177.323 0.4 . 1 . . . . 156 A C . 17853 1 1284 . 1 1 156 156 ALA CA C 13 53.684 0.4 . 1 . . . . 156 A CA . 17853 1 1285 . 1 1 156 156 ALA CB C 13 17.683 0.4 . 1 . . . . 156 A CB . 17853 1 1286 . 1 1 156 156 ALA N N 15 121.721 0.1 . 1 . . . . 156 A N . 17853 1 1287 . 1 1 157 157 LYS H H 1 7.335 0.05 . 1 . . . . 157 K HN . 17853 1 1288 . 1 1 157 157 LYS HA H 1 4.175 0.05 . 1 . . . . 157 K HA . 17853 1 1289 . 1 1 157 157 LYS HB2 H 1 2.001 0.05 . 1 . . . . 157 K HB1 . 17853 1 1290 . 1 1 157 157 LYS C C 13 177.418 0.4 . 1 . . . . 157 K C . 17853 1 1291 . 1 1 157 157 LYS CA C 13 59.315 0.4 . 1 . . . . 157 K CA . 17853 1 1292 . 1 1 157 157 LYS CB C 13 32.421 0.4 . 1 . . . . 157 K CB . 17853 1 1293 . 1 1 157 157 LYS N N 15 116.960 0.1 . 1 . . . . 157 K N . 17853 1 1294 . 1 1 158 158 ALA H H 1 7.486 0.05 . 1 . . . . 158 A HN . 17853 1 1295 . 1 1 158 158 ALA HA H 1 4.367 0.05 . 1 . . . . 158 A HA . 17853 1 1296 . 1 1 158 158 ALA HB1 H 1 1.680 0.05 . 1 . . . . 158 A HB1 . 17853 1 1297 . 1 1 158 158 ALA HB2 H 1 1.680 0.05 . 1 . . . . 158 A HB2 . 17853 1 1298 . 1 1 158 158 ALA HB3 H 1 1.680 0.05 . 1 . . . . 158 A HB3 . 17853 1 1299 . 1 1 158 158 ALA C C 13 177.323 0.4 . 1 . . . . 158 A C . 17853 1 1300 . 1 1 158 158 ALA CA C 13 53.044 0.4 . 1 . . . . 158 A CA . 17853 1 1301 . 1 1 158 158 ALA CB C 13 20.077 0.4 . 1 . . . . 158 A CB . 17853 1 1302 . 1 1 158 158 ALA N N 15 118.346 0.1 . 1 . . . . 158 A N . 17853 1 1303 . 1 1 159 159 LEU H H 1 7.335 0.05 . 1 . . . . 159 L HN . 17853 1 1304 . 1 1 159 159 LEU HA H 1 3.866 0.05 . 1 . . . . 159 L HA . 17853 1 1305 . 1 1 159 159 LEU HB2 H 1 1.639 0.05 . 1 . . . . 159 L HB1 . 17853 1 1306 . 1 1 159 159 LEU C C 13 178.058 0.4 . 1 . . . . 159 L C . 17853 1 1307 . 1 1 159 159 LEU CA C 13 55.742 0.4 . 1 . . . . 159 L CA . 17853 1 1308 . 1 1 159 159 LEU CB C 13 41.802 0.4 . 1 . . . . 159 L CB . 17853 1 1309 . 1 1 159 159 LEU N N 15 116.960 0.1 . 1 . . . . 159 L N . 17853 1 1310 . 1 1 160 160 SER H H 1 8.902 0.05 . 1 . . . . 160 S HN . 17853 1 1311 . 1 1 160 160 SER HA H 1 4.660 0.05 . 1 . . . . 160 S HA . 17853 1 1312 . 1 1 160 160 SER HB2 H 1 3.891 0.05 . 1 . . . . 160 S HB1 . 17853 1 1313 . 1 1 160 160 SER C C 13 174.350 0.4 . 1 . . . . 160 S C . 17853 1 1314 . 1 1 160 160 SER CA C 13 57.575 0.4 . 1 . . . . 160 S CA . 17853 1 1315 . 1 1 160 160 SER CB C 13 61.753 0.4 . 1 . . . . 160 S CB . 17853 1 1316 . 1 1 160 160 SER N N 15 117.832 0.1 . 1 . . . . 160 S N . 17853 1 1317 . 1 1 161 161 VAL H H 1 8.701 0.05 . 1 . . . . 161 V HN . 17853 1 1318 . 1 1 161 161 VAL HA H 1 4.677 0.05 . 1 . . . . 161 V HA . 17853 1 1319 . 1 1 161 161 VAL HB H 1 1.980 0.05 . 1 . . . . 161 V HB . 17853 1 1320 . 1 1 161 161 VAL HG11 H 1 1.075 0.05 . 2 . . . . 161 V HG11 . 17853 1 1321 . 1 1 161 161 VAL HG12 H 1 1.075 0.05 . 2 . . . . 161 V HG12 . 17853 1 1322 . 1 1 161 161 VAL HG13 H 1 1.075 0.05 . 2 . . . . 161 V HG13 . 17853 1 1323 . 1 1 161 161 VAL HG21 H 1 0.821 0.05 . 2 . . . . 161 V HG21 . 17853 1 1324 . 1 1 161 161 VAL HG22 H 1 0.821 0.05 . 2 . . . . 161 V HG22 . 17853 1 1325 . 1 1 161 161 VAL HG23 H 1 0.821 0.05 . 2 . . . . 161 V HG23 . 17853 1 1326 . 1 1 161 161 VAL C C 13 175.049 0.4 . 1 . . . . 161 V C . 17853 1 1327 . 1 1 161 161 VAL CA C 13 62.235 0.4 . 1 . . . . 161 V CA . 17853 1 1328 . 1 1 161 161 VAL CB C 13 33.989 0.4 . 1 . . . . 161 V CB . 17853 1 1329 . 1 1 161 161 VAL CG1 C 13 21.500 0.4 . 2 . . . . 161 V CG1 . 17853 1 1330 . 1 1 161 161 VAL CG2 C 13 21.500 0.4 . 2 . . . . 161 V CG2 . 17853 1 1331 . 1 1 161 161 VAL N N 15 124.870 0.1 . 1 . . . . 161 V N . 17853 1 1332 . 1 1 162 162 GLU H H 1 9.065 0.05 . 1 . . . . 162 E HN . 17853 1 1333 . 1 1 162 162 GLU HA H 1 4.798 0.05 . 1 . . . . 162 E HA . 17853 1 1334 . 1 1 162 162 GLU HB2 H 1 2.053 0.05 . 1 . . . . 162 E HB1 . 17853 1 1335 . 1 1 162 162 GLU HB3 H 1 1.906 0.05 . 1 . . . . 162 E HB2 . 17853 1 1336 . 1 1 162 162 GLU C C 13 175.173 0.4 . 1 . . . . 162 E C . 17853 1 1337 . 1 1 162 162 GLU CA C 13 54.350 0.4 . 1 . . . . 162 E CA . 17853 1 1338 . 1 1 162 162 GLU CB C 13 34.138 0.4 . 1 . . . . 162 E CB . 17853 1 1339 . 1 1 162 162 GLU N N 15 126.397 0.1 . 1 . . . . 162 E N . 17853 1 1340 . 1 1 163 163 LEU H H 1 9.120 0.05 . 1 . . . . 163 L HN . 17853 1 1341 . 1 1 163 163 LEU HA H 1 4.205 0.05 . 1 . . . . 163 L HA . 17853 1 1342 . 1 1 163 163 LEU HB2 H 1 1.881 0.05 . 1 . . . . 163 L HB1 . 17853 1 1343 . 1 1 163 163 LEU HB3 H 1 1.363 0.05 . 1 . . . . 163 L HB2 . 17853 1 1344 . 1 1 163 163 LEU C C 13 175.805 0.4 . 1 . . . . 163 L C . 17853 1 1345 . 1 1 163 163 LEU CA C 13 56.349 0.4 . 1 . . . . 163 L CA . 17853 1 1346 . 1 1 163 163 LEU CB C 13 42.841 0.4 . 1 . . . . 163 L CB . 17853 1 1347 . 1 1 163 163 LEU N N 15 126.235 0.1 . 1 . . . . 163 L N . 17853 1 1348 . 1 1 164 164 GLU H H 1 8.762 0.05 . 1 . . . . 164 E HN . 17853 1 1349 . 1 1 164 164 GLU CA C 13 57.657 0.4 . 1 . . . . 164 E CA . 17853 1 1350 . 1 1 164 164 GLU CB C 13 29.967 0.4 . 1 . . . . 164 E CB . 17853 1 1351 . 1 1 164 164 GLU N N 15 128.041 0.1 . 1 . . . . 164 E N . 17853 1 1352 . 1 1 165 165 ILE C C 13 175.379 0.4 . 1 . . . . 165 I C . 17853 1 1353 . 1 1 165 165 ILE CA C 13 54.422 0.4 . 1 . . . . 165 I CA . 17853 1 1354 . 1 1 165 165 ILE CB C 13 41.627 0.4 . 1 . . . . 165 I CB . 17853 1 1355 . 1 1 166 166 ASN H H 1 8.682 0.05 . 1 . . . . 166 N HN . 17853 1 1356 . 1 1 166 166 ASN HA H 1 4.612 0.05 . 1 . . . . 166 N HA . 17853 1 1357 . 1 1 166 166 ASN HB2 H 1 2.679 0.05 . 2 . . . . 166 N HB1 . 17853 1 1358 . 1 1 166 166 ASN C C 13 176.391 0.4 . 1 . . . . 166 N C . 17853 1 1359 . 1 1 166 166 ASN CA C 13 54.230 0.4 . 1 . . . . 166 N CA . 17853 1 1360 . 1 1 166 166 ASN CB C 13 39.250 0.4 . 1 . . . . 166 N CB . 17853 1 1361 . 1 1 166 166 ASN N N 15 123.469 0.1 . 1 . . . . 166 N N . 17853 1 1362 . 1 1 167 167 PHE H H 1 8.351 0.05 . 1 . . . . 167 F HN . 17853 1 1363 . 1 1 167 167 PHE HA H 1 4.615 0.05 . 1 . . . . 167 F HA . 17853 1 1364 . 1 1 167 167 PHE HB2 H 1 2.849 0.05 . 2 . . . . 167 F HB1 . 17853 1 1365 . 1 1 167 167 PHE C C 13 175.236 0.4 . 1 . . . . 167 F C . 17853 1 1366 . 1 1 167 167 PHE CA C 13 55.088 0.4 . 1 . . . . 167 F CA . 17853 1 1367 . 1 1 167 167 PHE CB C 13 39.250 0.4 . 1 . . . . 167 F CB . 17853 1 1368 . 1 1 167 167 PHE N N 15 120.086 0.1 . 1 . . . . 167 F N . 17853 1 1369 . 1 1 168 168 GLU H H 1 8.378 0.05 . 1 . . . . 168 E HN . 17853 1 1370 . 1 1 168 168 GLU HA H 1 4.080 0.05 . 1 . . . . 168 E HA . 17853 1 1371 . 1 1 168 168 GLU HB2 H 1 2.226 0.05 . 1 . . . . 168 E HB1 . 17853 1 1372 . 1 1 168 168 GLU HG2 H 1 2.487 0.05 . 2 . . . . 168 E HG1 . 17853 1 1373 . 1 1 168 168 GLU HG3 H 1 2.440 0.05 . 2 . . . . 168 E HG2 . 17853 1 1374 . 1 1 168 168 GLU C C 13 178.423 0.4 . 1 . . . . 168 E C . 17853 1 1375 . 1 1 168 168 GLU CA C 13 56.883 0.4 . 1 . . . . 168 E CA . 17853 1 1376 . 1 1 168 168 GLU CB C 13 29.675 0.4 . 1 . . . . 168 E CB . 17853 1 1377 . 1 1 168 168 GLU CG C 13 36.300 0.4 . 1 . . . . 168 E CG . 17853 1 1378 . 1 1 168 168 GLU N N 15 120.301 0.1 . 1 . . . . 168 E N . 17853 1 1379 . 1 1 169 169 THR H H 1 8.247 0.05 . 1 . . . . 169 T HN . 17853 1 1380 . 1 1 169 169 THR HA H 1 4.660 0.05 . 1 . . . . 169 T HA . 17853 1 1381 . 1 1 169 169 THR HB H 1 3.867 0.05 . 1 . . . . 169 T HB . 17853 1 1382 . 1 1 169 169 THR C C 13 174.312 0.4 . 1 . . . . 169 T C . 17853 1 1383 . 1 1 169 169 THR CA C 13 62.578 0.4 . 1 . . . . 169 T CA . 17853 1 1384 . 1 1 169 169 THR CB C 13 64.295 0.4 . 1 . . . . 169 T CB . 17853 1 1385 . 1 1 169 169 THR N N 15 121.578 0.1 . 1 . . . . 169 T N . 17853 1 1386 . 1 1 170 170 ARG H H 1 8.330 0.05 . 1 . . . . 170 R HN . 17853 1 1387 . 1 1 170 170 ARG HA H 1 4.505 0.05 . 1 . . . . 170 R HA . 17853 1 1388 . 1 1 170 170 ARG HB2 H 1 2.020 0.05 . 2 . . . . 170 R HB1 . 17853 1 1389 . 1 1 170 170 ARG HG2 H 1 1.852 0.05 . 2 . . . . 170 R HG1 . 17853 1 1390 . 1 1 170 170 ARG HD2 H 1 3.280 0.05 . 2 . . . . 170 R HD1 . 17853 1 1391 . 1 1 170 170 ARG C C 13 178.328 0.4 . 1 . . . . 170 R C . 17853 1 1392 . 1 1 170 170 ARG CA C 13 54.612 0.4 . 1 . . . . 170 R CA . 17853 1 1393 . 1 1 170 170 ARG CB C 13 29.467 0.4 . 1 . . . . 170 R CB . 17853 1 1394 . 1 1 170 170 ARG CG C 13 27.600 0.4 . 1 . . . . 170 R CG . 17853 1 1395 . 1 1 170 170 ARG CD C 13 42.900 0.4 . 1 . . . . 170 R CD . 17853 1 1396 . 1 1 170 170 ARG N N 15 121.605 0.1 . 1 . . . . 170 R N . 17853 1 1397 . 1 1 171 171 GLY H H 1 8.112 0.05 . 1 . . . . 171 G HN . 17853 1 1398 . 1 1 171 171 GLY CA C 13 47.177 0.4 . 1 . . . . 171 G CA . 17853 1 1399 . 1 1 171 171 GLY N N 15 110.034 0.1 . 1 . . . . 171 G N . 17853 1 1400 . 1 1 172 172 LYS HA H 1 4.412 0.05 . 1 . . . . 172 K HA . 17853 1 1401 . 1 1 172 172 LYS HB2 H 1 1.880 0.05 . 2 . . . . 172 K HB1 . 17853 1 1402 . 1 1 172 172 LYS HB3 H 1 1.801 0.05 . 2 . . . . 172 K HB2 . 17853 1 1403 . 1 1 172 172 LYS HG2 H 1 1.499 0.05 . 2 . . . . 172 K HG1 . 17853 1 1404 . 1 1 172 172 LYS HD2 H 1 1.801 0.05 . 2 . . . . 172 K HD1 . 17853 1 1405 . 1 1 172 172 LYS HE2 H 1 3.199 0.05 . 2 . . . . 172 K HE1 . 17853 1 1406 . 1 1 172 172 LYS C C 13 175.061 0.4 . 1 . . . . 172 K C . 17853 1 1407 . 1 1 172 172 LYS CA C 13 55.983 0.4 . 1 . . . . 172 K CA . 17853 1 1408 . 1 1 172 172 LYS CB C 13 30.781 0.4 . 1 . . . . 172 K CB . 17853 1 1409 . 1 1 172 172 LYS CG C 13 25.100 0.4 . 1 . . . . 172 K CG . 17853 1 1410 . 1 1 172 172 LYS CD C 13 29.200 0.4 . 1 . . . . 172 K CD . 17853 1 1411 . 1 1 172 172 LYS CE C 13 42.900 0.4 . 1 . . . . 172 K CE . 17853 1 1412 . 1 1 173 173 ARG H H 1 8.031 0.05 . 1 . . . . 173 R HN . 17853 1 1413 . 1 1 173 173 ARG HA H 1 4.904 0.05 . 1 . . . . 173 R HA . 17853 1 1414 . 1 1 173 173 ARG HB2 H 1 1.399 0.05 . 1 . . . . 173 R HB1 . 17853 1 1415 . 1 1 173 173 ARG C C 13 176.995 0.4 . 1 . . . . 173 R C . 17853 1 1416 . 1 1 173 173 ARG CA C 13 55.247 0.4 . 1 . . . . 173 R CA . 17853 1 1417 . 1 1 173 173 ARG CB C 13 29.294 0.4 . 1 . . . . 173 R CB . 17853 1 1418 . 1 1 173 173 ARG N N 15 128.270 0.1 . 1 . . . . 173 R N . 17853 1 1419 . 1 1 174 174 GLY H H 1 8.358 0.05 . 1 . . . . 174 G HN . 17853 1 1420 . 1 1 174 174 GLY C C 13 174.956 0.4 . 1 . . . . 174 G C . 17853 1 1421 . 1 1 174 174 GLY CA C 13 48.629 0.4 . 1 . . . . 174 G CA . 17853 1 1422 . 1 1 174 174 GLY N N 15 112.340 0.1 . 1 . . . . 174 G N . 17853 1 1423 . 1 1 175 175 GLN H H 1 8.731 0.05 . 1 . . . . 175 Q HN . 17853 1 1424 . 1 1 175 175 GLN CA C 13 59.301 0.4 . 1 . . . . 175 Q CA . 17853 1 1425 . 1 1 175 175 GLN CB C 13 27.234 0.4 . 1 . . . . 175 Q CB . 17853 1 1426 . 1 1 175 175 GLN N N 15 121.423 0.1 . 1 . . . . 175 Q N . 17853 1 1427 . 1 1 176 176 ASP HA H 1 4.417 0.05 . 1 . . . . 176 D HA . 17853 1 1428 . 1 1 176 176 ASP HB2 H 1 2.621 0.05 . 1 . . . . 176 D HB1 . 17853 1 1429 . 1 1 176 176 ASP C C 13 180.115 0.4 . 1 . . . . 176 D C . 17853 1 1430 . 1 1 176 176 ASP CA C 13 55.010 0.4 . 1 . . . . 176 D CA . 17853 1 1431 . 1 1 176 176 ASP CB C 13 40.991 0.4 . 1 . . . . 176 D CB . 17853 1 1432 . 1 1 177 177 ALA H H 1 7.964 0.05 . 1 . . . . 177 A HN . 17853 1 1433 . 1 1 177 177 ALA HA H 1 4.466 0.05 . 1 . . . . 177 A HA . 17853 1 1434 . 1 1 177 177 ALA HB1 H 1 1.580 0.05 . 1 . . . . 177 A HB1 . 17853 1 1435 . 1 1 177 177 ALA HB2 H 1 1.580 0.05 . 1 . . . . 177 A HB2 . 17853 1 1436 . 1 1 177 177 ALA HB3 H 1 1.580 0.05 . 1 . . . . 177 A HB3 . 17853 1 1437 . 1 1 177 177 ALA C C 13 175.767 0.4 . 1 . . . . 177 A C . 17853 1 1438 . 1 1 177 177 ALA CA C 13 56.024 0.4 . 1 . . . . 177 A CA . 17853 1 1439 . 1 1 177 177 ALA CB C 13 18.420 0.4 . 1 . . . . 177 A CB . 17853 1 1440 . 1 1 177 177 ALA N N 15 120.779 0.1 . 1 . . . . 177 A N . 17853 1 1441 . 1 1 178 178 MET H H 1 8.042 0.05 . 1 . . . . 178 M HN . 17853 1 1442 . 1 1 178 178 MET HA H 1 4.318 0.05 . 1 . . . . 178 M HA . 17853 1 1443 . 1 1 178 178 MET C C 13 175.767 0.4 . 1 . . . . 178 M C . 17853 1 1444 . 1 1 178 178 MET CA C 13 56.751 0.4 . 1 . . . . 178 M CA . 17853 1 1445 . 1 1 178 178 MET CB C 13 31.057 0.4 . 1 . . . . 178 M CB . 17853 1 1446 . 1 1 178 178 MET N N 15 118.662 0.1 . 1 . . . . 178 M N . 17853 1 1447 . 1 1 179 179 TYR H H 1 8.042 0.05 . 1 . . . . 179 Y HN . 17853 1 1448 . 1 1 179 179 TYR HA H 1 4.799 0.05 . 1 . . . . 179 Y HA . 17853 1 1449 . 1 1 179 179 TYR HB2 H 1 2.910 0.05 . 2 . . . . 179 Y HB1 . 17853 1 1450 . 1 1 179 179 TYR HB3 H 1 2.837 0.05 . 2 . . . . 179 Y HB2 . 17853 1 1451 . 1 1 179 179 TYR C C 13 174.262 0.4 . 1 . . . . 179 Y C . 17853 1 1452 . 1 1 179 179 TYR CA C 13 56.527 0.4 . 1 . . . . 179 Y CA . 17853 1 1453 . 1 1 179 179 TYR CB C 13 39.094 0.4 . 1 . . . . 179 Y CB . 17853 1 1454 . 1 1 179 179 TYR N N 15 118.662 0.1 . 1 . . . . 179 Y N . 17853 1 1455 . 1 1 180 180 GLU H H 1 7.944 0.05 . 1 . . . . 180 E HN . 17853 1 1456 . 1 1 180 180 GLU CA C 13 57.663 0.4 . 1 . . . . 180 E CA . 17853 1 1457 . 1 1 180 180 GLU CB C 13 31.640 0.4 . 1 . . . . 180 E CB . 17853 1 1458 . 1 1 180 180 GLU N N 15 126.066 0.1 . 1 . . . . 180 E N . 17853 1 1459 . 1 1 181 181 TYR HA H 1 4.978 0.05 . 1 . . . . 181 Y HA . 17853 1 1460 . 1 1 181 181 TYR HB2 H 1 3.657 0.05 . 1 . . . . 181 Y HB1 . 17853 1 1461 . 1 1 181 181 TYR C C 13 175.561 0.4 . 1 . . . . 181 Y C . 17853 1 1462 . 1 1 181 181 TYR CA C 13 61.145 0.4 . 1 . . . . 181 Y CA . 17853 1 1463 . 1 1 181 181 TYR CB C 13 35.126 0.4 . 1 . . . . 181 Y CB . 17853 1 1464 . 1 1 182 182 MET H H 1 9.083 0.05 . 1 . . . . 182 M HN . 17853 1 1465 . 1 1 182 182 MET HA H 1 3.936 0.05 . 1 . . . . 182 M HA . 17853 1 1466 . 1 1 182 182 MET C C 13 177.988 0.4 . 1 . . . . 182 M C . 17853 1 1467 . 1 1 182 182 MET CA C 13 59.336 0.4 . 1 . . . . 182 M CA . 17853 1 1468 . 1 1 182 182 MET CB C 13 34.092 0.4 . 1 . . . . 182 M CB . 17853 1 1469 . 1 1 182 182 MET N N 15 118.498 0.1 . 1 . . . . 182 M N . 17853 1 1470 . 1 1 183 183 ALA H H 1 7.889 0.05 . 1 . . . . 183 A HN . 17853 1 1471 . 1 1 183 183 ALA HA H 1 4.183 0.05 . 1 . . . . 183 A HA . 17853 1 1472 . 1 1 183 183 ALA HB1 H 1 1.495 0.05 . 1 . . . . 183 A HB1 . 17853 1 1473 . 1 1 183 183 ALA HB2 H 1 1.495 0.05 . 1 . . . . 183 A HB2 . 17853 1 1474 . 1 1 183 183 ALA HB3 H 1 1.495 0.05 . 1 . . . . 183 A HB3 . 17853 1 1475 . 1 1 183 183 ALA C C 13 178.763 0.4 . 1 . . . . 183 A C . 17853 1 1476 . 1 1 183 183 ALA CA C 13 53.841 0.4 . 1 . . . . 183 A CA . 17853 1 1477 . 1 1 183 183 ALA CB C 13 18.136 0.4 . 1 . . . . 183 A CB . 17853 1 1478 . 1 1 183 183 ALA N N 15 120.356 0.1 . 1 . . . . 183 A N . 17853 1 1479 . 1 1 184 184 GLN H H 1 7.543 0.05 . 1 . . . . 184 Q HN . 17853 1 1480 . 1 1 184 184 GLN HA H 1 4.470 0.05 . 1 . . . . 184 Q HA . 17853 1 1481 . 1 1 184 184 GLN HB2 H 1 2.982 0.05 . 1 . . . . 184 Q HB1 . 17853 1 1482 . 1 1 184 184 GLN C C 13 174.532 0.4 . 1 . . . . 184 Q C . 17853 1 1483 . 1 1 184 184 GLN CA C 13 58.255 0.4 . 1 . . . . 184 Q CA . 17853 1 1484 . 1 1 184 184 GLN CB C 13 27.833 0.4 . 1 . . . . 184 Q CB . 17853 1 1485 . 1 1 184 184 GLN N N 15 116.319 0.1 . 1 . . . . 184 Q N . 17853 1 1486 . 1 1 185 185 ALA H H 1 8.064 0.05 . 1 . . . . 185 A HN . 17853 1 1487 . 1 1 185 185 ALA HA H 1 3.859 0.05 . 1 . . . . 185 A HA . 17853 1 1488 . 1 1 185 185 ALA HB1 H 1 1.086 0.05 . 1 . . . . 185 A HB1 . 17853 1 1489 . 1 1 185 185 ALA HB2 H 1 1.086 0.05 . 1 . . . . 185 A HB2 . 17853 1 1490 . 1 1 185 185 ALA HB3 H 1 1.086 0.05 . 1 . . . . 185 A HB3 . 17853 1 1491 . 1 1 185 185 ALA C C 13 177.706 0.4 . 1 . . . . 185 A C . 17853 1 1492 . 1 1 185 185 ALA CA C 13 52.894 0.4 . 1 . . . . 185 A CA . 17853 1 1493 . 1 1 185 185 ALA CB C 13 19.088 0.4 . 1 . . . . 185 A CB . 17853 1 1494 . 1 1 185 185 ALA N N 15 125.459 0.1 . 1 . . . . 185 A N . 17853 1 1495 . 1 1 186 186 CYS H H 1 7.862 0.05 . 1 . . . . 186 C HN . 17853 1 1496 . 1 1 186 186 CYS HA H 1 4.415 0.05 . 1 . . . . 186 C HA . 17853 1 1497 . 1 1 186 186 CYS HB2 H 1 2.984 0.05 . 1 . . . . 186 C HB1 . 17853 1 1498 . 1 1 186 186 CYS C C 13 174.504 0.4 . 1 . . . . 186 C C . 17853 1 1499 . 1 1 186 186 CYS CA C 13 58.630 0.4 . 1 . . . . 186 C CA . 17853 1 1500 . 1 1 186 186 CYS CB C 13 27.682 0.4 . 1 . . . . 186 C CB . 17853 1 1501 . 1 1 186 186 CYS N N 15 115.920 0.1 . 1 . . . . 186 C N . 17853 1 1502 . 1 1 187 187 ALA H H 1 8.172 0.05 . 1 . . . . 187 A HN . 17853 1 1503 . 1 1 187 187 ALA HA H 1 4.316 0.05 . 1 . . . . 187 A HA . 17853 1 1504 . 1 1 187 187 ALA HB1 H 1 1.398 0.05 . 1 . . . . 187 A HB1 . 17853 1 1505 . 1 1 187 187 ALA HB2 H 1 1.398 0.05 . 1 . . . . 187 A HB2 . 17853 1 1506 . 1 1 187 187 ALA HB3 H 1 1.398 0.05 . 1 . . . . 187 A HB3 . 17853 1 1507 . 1 1 187 187 ALA C C 13 178.167 0.4 . 1 . . . . 187 A C . 17853 1 1508 . 1 1 187 187 ALA CA C 13 52.917 0.4 . 1 . . . . 187 A CA . 17853 1 1509 . 1 1 187 187 ALA CB C 13 19.077 0.4 . 1 . . . . 187 A CB . 17853 1 1510 . 1 1 187 187 ALA N N 15 125.011 0.1 . 1 . . . . 187 A N . 17853 1 1511 . 1 1 188 188 GLY H H 1 8.369 0.05 . 1 . . . . 188 G HN . 17853 1 1512 . 1 1 188 188 GLY HA2 H 1 4.245 0.05 . 1 . . . . 188 G HA1 . 17853 1 1513 . 1 1 188 188 GLY HA3 H 1 3.965 0.05 . 1 . . . . 188 G HA2 . 17853 1 1514 . 1 1 188 188 GLY C C 13 173.669 0.4 . 1 . . . . 188 G C . 17853 1 1515 . 1 1 188 188 GLY CA C 13 45.584 0.4 . 1 . . . . 188 G CA . 17853 1 1516 . 1 1 188 188 GLY N N 15 107.551 0.1 . 1 . . . . 188 G N . 17853 1 1517 . 1 1 189 189 ASN H H 1 8.298 0.05 . 1 . . . . 189 N HN . 17853 1 1518 . 1 1 189 189 ASN HA H 1 4.741 0.05 . 1 . . . . 189 N HA . 17853 1 1519 . 1 1 189 189 ASN HB2 H 1 2.859 0.05 . 1 . . . . 189 N HB1 . 17853 1 1520 . 1 1 189 189 ASN HD21 H 1 7.280 0.05 . 2 . . . . 189 N HD21 . 17853 1 1521 . 1 1 189 189 ASN C C 13 175.226 0.4 . 1 . . . . 189 N C . 17853 1 1522 . 1 1 189 189 ASN CA C 13 53.337 0.4 . 1 . . . . 189 N CA . 17853 1 1523 . 1 1 189 189 ASN CB C 13 38.808 0.4 . 1 . . . . 189 N CB . 17853 1 1524 . 1 1 189 189 ASN N N 15 118.238 0.1 . 1 . . . . 189 N N . 17853 1 1525 . 1 1 189 189 ASN ND2 N 15 111.939 0.1 . 1 . . . . 189 N ND2 . 17853 1 1526 . 1 1 190 190 ARG H H 1 8.216 0.05 . 1 . . . . 190 R HN . 17853 1 1527 . 1 1 190 190 ARG HA H 1 4.389 0.05 . 1 . . . . 190 R HA . 17853 1 1528 . 1 1 190 190 ARG HB2 H 1 1.862 0.05 . 1 . . . . 190 R HB1 . 17853 1 1529 . 1 1 190 190 ARG C C 13 176.157 0.4 . 1 . . . . 190 R C . 17853 1 1530 . 1 1 190 190 ARG CA C 13 56.286 0.4 . 1 . . . . 190 R CA . 17853 1 1531 . 1 1 190 190 ARG CB C 13 30.731 0.4 . 1 . . . . 190 R CB . 17853 1 1532 . 1 1 190 190 ARG N N 15 120.957 0.1 . 1 . . . . 190 R N . 17853 1 1533 . 1 1 191 191 VAL H H 1 8.074 0.05 . 1 . . . . 191 V HN . 17853 1 1534 . 1 1 191 191 VAL HA H 1 4.120 0.05 . 1 . . . . 191 V HA . 17853 1 1535 . 1 1 191 191 VAL HB H 1 2.077 0.05 . 1 . . . . 191 V HB . 17853 1 1536 . 1 1 191 191 VAL HG11 H 1 0.963 0.05 . 2 . . . . 191 V HG11 . 17853 1 1537 . 1 1 191 191 VAL HG12 H 1 0.963 0.05 . 2 . . . . 191 V HG12 . 17853 1 1538 . 1 1 191 191 VAL HG13 H 1 0.963 0.05 . 2 . . . . 191 V HG13 . 17853 1 1539 . 1 1 191 191 VAL C C 13 175.957 0.4 . 1 . . . . 191 V C . 17853 1 1540 . 1 1 191 191 VAL CA C 13 62.332 0.4 . 1 . . . . 191 V CA . 17853 1 1541 . 1 1 191 191 VAL CB C 13 32.649 0.4 . 1 . . . . 191 V CB . 17853 1 1542 . 1 1 191 191 VAL CG1 C 13 21.000 0.4 . 2 . . . . 191 V CG1 . 17853 1 1543 . 1 1 191 191 VAL N N 15 120.832 0.1 . 1 . . . . 191 V N . 17853 1 1544 . 1 1 192 192 ARG H H 1 8.396 0.05 . 1 . . . . 192 R HN . 17853 1 1545 . 1 1 192 192 ARG HA H 1 4.392 0.05 . 1 . . . . 192 R HA . 17853 1 1546 . 1 1 192 192 ARG HB2 H 1 1.814 0.05 . 1 . . . . 192 R HB1 . 17853 1 1547 . 1 1 192 192 ARG C C 13 175.964 0.4 . 1 . . . . 192 R C . 17853 1 1548 . 1 1 192 192 ARG CA C 13 55.944 0.4 . 1 . . . . 192 R CA . 17853 1 1549 . 1 1 192 192 ARG CB C 13 30.889 0.4 . 1 . . . . 192 R CB . 17853 1 1550 . 1 1 192 192 ARG N N 15 125.163 0.1 . 1 . . . . 192 R N . 17853 1 1551 . 1 1 193 193 ARG H H 1 8.435 0.05 . 1 . . . . 193 R HN . 17853 1 1552 . 1 1 193 193 ARG HA H 1 4.416 0.05 . 1 . . . . 193 R HA . 17853 1 1553 . 1 1 193 193 ARG HB2 H 1 1.840 0.05 . 1 . . . . 193 R HB1 . 17853 1 1554 . 1 1 193 193 ARG HG2 H 1 1.499 0.05 . 2 . . . . 193 R HG1 . 17853 1 1555 . 1 1 193 193 ARG HD2 H 1 3.199 0.05 . 2 . . . . 193 R HD1 . 17853 1 1556 . 1 1 193 193 ARG C C 13 176.002 0.4 . 1 . . . . 193 R C . 17853 1 1557 . 1 1 193 193 ARG CA C 13 55.928 0.4 . 1 . . . . 193 R CA . 17853 1 1558 . 1 1 193 193 ARG CB C 13 31.155 0.4 . 1 . . . . 193 R CB . 17853 1 1559 . 1 1 193 193 ARG CG C 13 26.500 0.4 . 1 . . . . 193 R CG . 17853 1 1560 . 1 1 193 193 ARG CD C 13 43.100 0.4 . 1 . . . . 193 R CD . 17853 1 1561 . 1 1 193 193 ARG N N 15 122.834 0.1 . 1 . . . . 193 R N . 17853 1 1562 . 1 1 194 194 SER H H 1 8.398 0.05 . 1 . . . . 194 S HN . 17853 1 1563 . 1 1 194 194 SER HA H 1 4.587 0.05 . 1 . . . . 194 S HA . 17853 1 1564 . 1 1 194 194 SER HB2 H 1 3.878 0.05 . 1 . . . . 194 S HB1 . 17853 1 1565 . 1 1 194 194 SER C C 13 175.617 0.4 . 1 . . . . 194 S C . 17853 1 1566 . 1 1 194 194 SER CA C 13 58.166 0.4 . 1 . . . . 194 S CA . 17853 1 1567 . 1 1 194 194 SER CB C 13 64.097 0.4 . 1 . . . . 194 S CB . 17853 1 1568 . 1 1 194 194 SER N N 15 117.274 0.1 . 1 . . . . 194 S N . 17853 1 1569 . 1 1 195 195 VAL H H 1 8.276 0.05 . 1 . . . . 195 V HN . 17853 1 1570 . 1 1 195 195 VAL HA H 1 4.273 0.05 . 1 . . . . 195 V HA . 17853 1 1571 . 1 1 195 195 VAL HB H 1 2.172 0.05 . 1 . . . . 195 V HB . 17853 1 1572 . 1 1 195 195 VAL HG11 H 1 1.342 0.05 . 2 . . . . 195 V HG11 . 17853 1 1573 . 1 1 195 195 VAL HG12 H 1 1.342 0.05 . 2 . . . . 195 V HG12 . 17853 1 1574 . 1 1 195 195 VAL HG13 H 1 1.342 0.05 . 2 . . . . 195 V HG13 . 17853 1 1575 . 1 1 195 195 VAL HG21 H 1 1.050 0.05 . 2 . . . . 195 V HG21 . 17853 1 1576 . 1 1 195 195 VAL HG22 H 1 1.050 0.05 . 2 . . . . 195 V HG22 . 17853 1 1577 . 1 1 195 195 VAL HG23 H 1 1.050 0.05 . 2 . . . . 195 V HG23 . 17853 1 1578 . 1 1 195 195 VAL C C 13 176.704 0.4 . 1 . . . . 195 V C . 17853 1 1579 . 1 1 195 195 VAL CA C 13 62.695 0.4 . 1 . . . . 195 V CA . 17853 1 1580 . 1 1 195 195 VAL CB C 13 32.746 0.4 . 1 . . . . 195 V CB . 17853 1 1581 . 1 1 195 195 VAL CG1 C 13 21.500 0.4 . 2 . . . . 195 V CG1 . 17853 1 1582 . 1 1 195 195 VAL CG2 C 13 21.300 0.4 . 2 . . . . 195 V CG2 . 17853 1 1583 . 1 1 195 195 VAL N N 15 121.232 0.1 . 1 . . . . 195 V N . 17853 1 1584 . 1 1 196 196 GLY H H 1 8.601 0.05 . 1 . . . . 196 G HN . 17853 1 1585 . 1 1 196 196 GLY HA2 H 1 4.032 0.05 . 1 . . . . 196 G HA1 . 17853 1 1586 . 1 1 196 196 GLY C C 13 174.271 0.4 . 1 . . . . 196 G C . 17853 1 1587 . 1 1 196 196 GLY CA C 13 50.399 0.4 . 1 . . . . 196 G CA . 17853 1 1588 . 1 1 196 196 GLY N N 15 112.734 0.1 . 1 . . . . 196 G N . 17853 1 1589 . 1 1 197 197 SER H H 1 8.224 0.05 . 1 . . . . 197 S HN . 17853 1 1590 . 1 1 197 197 SER HA H 1 4.534 0.05 . 1 . . . . 197 S HA . 17853 1 1591 . 1 1 197 197 SER HB2 H 1 3.954 0.05 . 2 . . . . 197 S HB1 . 17853 1 1592 . 1 1 197 197 SER HB3 H 1 3.954 0.05 . 2 . . . . 197 S HB2 . 17853 1 1593 . 1 1 197 197 SER C C 13 174.603 0.4 . 1 . . . . 197 S C . 17853 1 1594 . 1 1 197 197 SER CA C 13 58.289 0.4 . 1 . . . . 197 S CA . 17853 1 1595 . 1 1 197 197 SER CB C 13 63.982 0.4 . 1 . . . . 197 S CB . 17853 1 1596 . 1 1 197 197 SER N N 15 115.664 0.1 . 1 . . . . 197 S N . 17853 1 1597 . 1 1 198 198 SER H H 1 8.315 0.05 . 1 . . . . 198 S HN . 17853 1 1598 . 1 1 198 198 SER HA H 1 4.495 0.05 . 1 . . . . 198 S HA . 17853 1 1599 . 1 1 198 198 SER HB2 H 1 3.949 0.05 . 1 . . . . 198 S HB1 . 17853 1 1600 . 1 1 198 198 SER HB3 H 1 2.770 0.05 . 1 . . . . 198 S HB2 . 17853 1 1601 . 1 1 198 198 SER C C 13 174.705 0.4 . 1 . . . . 198 S C . 17853 1 1602 . 1 1 198 198 SER CA C 13 58.876 0.4 . 1 . . . . 198 S CA . 17853 1 1603 . 1 1 198 198 SER CB C 13 63.649 0.4 . 1 . . . . 198 S CB . 17853 1 1604 . 1 1 198 198 SER N N 15 116.797 0.1 . 1 . . . . 198 S N . 17853 1 1605 . 1 1 199 199 LEU H H 1 8.255 0.05 . 1 . . . . 199 L HN . 17853 1 1606 . 1 1 199 199 LEU HA H 1 4.482 0.05 . 1 . . . . 199 L HA . 17853 1 1607 . 1 1 199 199 LEU HB2 H 1 1.716 0.05 . 1 . . . . 199 L HB1 . 17853 1 1608 . 1 1 199 199 LEU HG H 1 1.006 0.05 . 1 . . . . 199 L HG . 17853 1 1609 . 1 1 199 199 LEU HD11 H 1 0.964 0.05 . 2 . . . . 199 L HD11 . 17853 1 1610 . 1 1 199 199 LEU HD12 H 1 0.964 0.05 . 2 . . . . 199 L HD12 . 17853 1 1611 . 1 1 199 199 LEU HD13 H 1 0.964 0.05 . 2 . . . . 199 L HD13 . 17853 1 1612 . 1 1 199 199 LEU HD21 H 1 0.911 0.05 . 2 . . . . 199 L HD21 . 17853 1 1613 . 1 1 199 199 LEU HD22 H 1 0.911 0.05 . 2 . . . . 199 L HD22 . 17853 1 1614 . 1 1 199 199 LEU HD23 H 1 0.911 0.05 . 2 . . . . 199 L HD23 . 17853 1 1615 . 1 1 199 199 LEU C C 13 176.605 0.4 . 1 . . . . 199 L C . 17853 1 1616 . 1 1 199 199 LEU CA C 13 55.352 0.4 . 1 . . . . 199 L CA . 17853 1 1617 . 1 1 199 199 LEU CB C 13 42.394 0.4 . 1 . . . . 199 L CB . 17853 1 1618 . 1 1 199 199 LEU CG C 13 25.400 0.4 . 1 . . . . 199 L CG . 17853 1 1619 . 1 1 199 199 LEU CD1 C 13 23.200 0.4 . 2 . . . . 199 L CD1 . 17853 1 1620 . 1 1 199 199 LEU CD2 C 13 24.000 0.4 . 2 . . . . 199 L CD2 . 17853 1 1621 . 1 1 199 199 LEU N N 15 123.280 0.1 . 1 . . . . 199 L N . 17853 1 1622 . 1 1 200 200 SER H H 1 7.931 0.05 . 1 . . . . 200 S HN . 17853 1 1623 . 1 1 200 200 SER HA H 1 4.327 0.05 . 1 . . . . 200 S HA . 17853 1 1624 . 1 1 200 200 SER CA C 13 60.064 0.4 . 1 . . . . 200 S CA . 17853 1 1625 . 1 1 200 200 SER CB C 13 65.191 0.4 . 1 . . . . 200 S CB . 17853 1 1626 . 1 1 200 200 SER N N 15 121.597 0.1 . 1 . . . . 200 S N . 17853 1 1627 . 1 1 201 201 CYS HA H 1 4.575 0.05 . 1 . . . . 201 C HA . 17853 1 1628 . 1 1 201 201 CYS HB2 H 1 2.981 0.05 . 1 . . . . 201 C HB1 . 17853 1 1629 . 1 1 201 201 CYS C C 13 174.266 0.4 . 1 . . . . 201 C C . 17853 1 1630 . 1 1 201 201 CYS CA C 13 56.636 0.4 . 1 . . . . 201 C CA . 17853 1 1631 . 1 1 201 201 CYS CB C 13 27.989 0.4 . 1 . . . . 201 C CB . 17853 1 1632 . 1 1 202 202 ILE H H 1 8.083 0.05 . 1 . . . . 202 I HN . 17853 1 1633 . 1 1 202 202 ILE HA H 1 4.234 0.05 . 1 . . . . 202 I HA . 17853 1 1634 . 1 1 202 202 ILE HB H 1 1.870 0.05 . 1 . . . . 202 I HB . 17853 1 1635 . 1 1 202 202 ILE HG12 H 1 1.175 0.05 . 2 . . . . 202 I HG11 . 17853 1 1636 . 1 1 202 202 ILE HG21 H 1 0.868 0.05 . 1 . . . . 202 I HG21 . 17853 1 1637 . 1 1 202 202 ILE HG22 H 1 0.868 0.05 . 1 . . . . 202 I HG22 . 17853 1 1638 . 1 1 202 202 ILE HG23 H 1 0.868 0.05 . 1 . . . . 202 I HG23 . 17853 1 1639 . 1 1 202 202 ILE HD11 H 1 0.789 0.05 . 1 . . . . 202 I HD11 . 17853 1 1640 . 1 1 202 202 ILE HD12 H 1 0.789 0.05 . 1 . . . . 202 I HD12 . 17853 1 1641 . 1 1 202 202 ILE HD13 H 1 0.789 0.05 . 1 . . . . 202 I HD13 . 17853 1 1642 . 1 1 202 202 ILE C C 13 175.342 0.4 . 1 . . . . 202 I C . 17853 1 1643 . 1 1 202 202 ILE CA C 13 61.112 0.4 . 1 . . . . 202 I CA . 17853 1 1644 . 1 1 202 202 ILE CB C 13 38.870 0.4 . 1 . . . . 202 I CB . 17853 1 1645 . 1 1 202 202 ILE CG1 C 13 27.800 0.4 . 1 . . . . 202 I CG1 . 17853 1 1646 . 1 1 202 202 ILE CG2 C 13 17.400 0.4 . 1 . . . . 202 I CG2 . 17853 1 1647 . 1 1 202 202 ILE N N 15 121.991 0.1 . 1 . . . . 202 I N . 17853 1 1648 . 1 1 203 203 ASN H H 1 8.459 0.05 . 1 . . . . 203 N HN . 17853 1 1649 . 1 1 203 203 ASN HA H 1 4.817 0.05 . 1 . . . . 203 N HA . 17853 1 1650 . 1 1 203 203 ASN HB2 H 1 2.896 0.05 . 1 . . . . 203 N HB1 . 17853 1 1651 . 1 1 203 203 ASN HB3 H 1 2.769 0.05 . 1 . . . . 203 N HB2 . 17853 1 1652 . 1 1 203 203 ASN HD21 H 1 7.531 0.05 . 2 . . . . 203 N HD21 . 17853 1 1653 . 1 1 203 203 ASN C C 13 174.637 0.4 . 1 . . . . 203 N C . 17853 1 1654 . 1 1 203 203 ASN CA C 13 53.250 0.4 . 1 . . . . 203 N CA . 17853 1 1655 . 1 1 203 203 ASN CB C 13 39.286 0.4 . 1 . . . . 203 N CB . 17853 1 1656 . 1 1 203 203 ASN N N 15 122.452 0.1 . 1 . . . . 203 N N . 17853 1 1657 . 1 1 203 203 ASN ND2 N 15 112.353 0.1 . 1 . . . . 203 N ND2 . 17853 1 1658 . 1 1 204 204 LEU H H 1 8.342 0.05 . 1 . . . . 204 L HN . 17853 1 1659 . 1 1 204 204 LEU HA H 1 4.465 0.05 . 1 . . . . 204 L HA . 17853 1 1660 . 1 1 204 204 LEU HB2 H 1 1.695 0.05 . 1 . . . . 204 L HB1 . 17853 1 1661 . 1 1 204 204 LEU HG H 1 1.006 0.05 . 1 . . . . 204 L HG . 17853 1 1662 . 1 1 204 204 LEU HD11 H 1 0.964 0.05 . 2 . . . . 204 L HD11 . 17853 1 1663 . 1 1 204 204 LEU HD12 H 1 0.964 0.05 . 2 . . . . 204 L HD12 . 17853 1 1664 . 1 1 204 204 LEU HD13 H 1 0.964 0.05 . 2 . . . . 204 L HD13 . 17853 1 1665 . 1 1 204 204 LEU HD21 H 1 0.911 0.05 . 2 . . . . 204 L HD21 . 17853 1 1666 . 1 1 204 204 LEU HD22 H 1 0.911 0.05 . 2 . . . . 204 L HD22 . 17853 1 1667 . 1 1 204 204 LEU HD23 H 1 0.911 0.05 . 2 . . . . 204 L HD23 . 17853 1 1668 . 1 1 204 204 LEU C C 13 176.053 0.4 . 1 . . . . 204 L C . 17853 1 1669 . 1 1 204 204 LEU CA C 13 54.971 0.4 . 1 . . . . 204 L CA . 17853 1 1670 . 1 1 204 204 LEU CB C 13 42.555 0.4 . 1 . . . . 204 L CB . 17853 1 1671 . 1 1 204 204 LEU CG C 13 25.900 0.4 . 1 . . . . 204 L CG . 17853 1 1672 . 1 1 204 204 LEU CD1 C 13 24.000 0.4 . 2 . . . . 204 L CD1 . 17853 1 1673 . 1 1 204 204 LEU CD2 C 13 24.000 0.4 . 2 . . . . 204 L CD2 . 17853 1 1674 . 1 1 204 204 LEU N N 15 123.882 0.1 . 1 . . . . 204 L N . 17853 1 1675 . 1 1 205 205 ASP H H 1 7.955 0.05 . 1 . . . . 205 D HN . 17853 1 1676 . 1 1 205 205 ASP HA H 1 4.443 0.05 . 1 . . . . 205 D HA . 17853 1 1677 . 1 1 205 205 ASP HB2 H 1 2.699 0.05 . 2 . . . . 205 D HB1 . 17853 1 1678 . 1 1 205 205 ASP CA C 13 56.003 0.4 . 1 . . . . 205 D CA . 17853 1 1679 . 1 1 205 205 ASP CB C 13 42.457 0.4 . 1 . . . . 205 D CB . 17853 1 1680 . 1 1 205 205 ASP N N 15 126.279 0.1 . 1 . . . . 205 D N . 17853 1 stop_ save_