data_6742 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6742 _Entry.Title ; De-ubiquitinating function of ataxin-3: insights from the solution structure of the Josephin domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-21 _Entry.Accession_date 2005-07-22 _Entry.Last_release_date 2005-09-08 _Entry.Original_release_date 2005-09-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'H,C,N NMR chemical shifts for the Josephin domain of ataxin-3' _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 Yuxin Mao . . . 6742 2 Michael Hodsdon . E. . 6742 3 Pietro 'De Camilli' . . . 6742 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6742 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 750 6742 '15N chemical shifts' 199 6742 '1H chemical shifts' 1283 6742 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-09-08 2005-07-21 original author . 6742 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AGA 'BMRB Entry Tracking System' 6742 . 6241 'indepdent assignments for same protein' 6742 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6742 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16118278 _Citation.Full_citation . _Citation.Title ; Deubiquitinating function of ataxin-3: Insights from the solution structure of the Josephin domain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full . _Citation.Journal_volume 102 _Citation.Journal_issue 36 _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 12700 _Citation.Page_last 12705 _Citation.Year 2005 _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 Yuxin Mao . . . 6742 1 2 Francesca Senic-Matuglia . . . 6742 1 3 Pier 'Di Fiore' . P. . 6742 1 4 Simona Polo . . . 6742 1 5 Michael Hodsdon . E. . 6742 1 6 Pietro 'De Camilli' . . . 6742 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ataxin-3 6742 1 Josephin 6742 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6742 _Assembly.ID 1 _Assembly.Name 'ataxin-3 josephin domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6742 1 stop_ 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 'ataxin-3 josephin domain' 1 $ataxin-3_josephin_domain . . yes native no no . . . 6742 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID de-ubiquitinase 6742 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ataxin-3_josephin_domain _Entity.Sf_category entity _Entity.Sf_framecode ataxin-3_josephin_domain _Entity.Entry_ID 6742 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ataxin-3 josephin domain' _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 ; MPLGSMESIFHEKQEGSLCA QHCLNNLLQGEYFSPVELSS IAHQLDEEERMRMAEGGVTS EDYRTFLQQPSGNMDDSGFF SIQVISNALKVWGLELILFN SPEYQRLRIDPINERSFICN YKEHWFTVRKLGKQWFNLNS LLTGPELISDTYLALFLAQL QQEGYSIFVVKGDLPDCEAD QLLQMIRVQQ ; _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 190 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17333 . JD . . . . . 99.47 190 100.00 100.00 3.43e-136 . . . . 6742 1 2 no BMRB 6241 . ataxin-3 . . . . . 95.79 182 100.00 100.00 5.58e-131 . . . . 6742 1 3 no PDB 1YZB . "Solution Structure Of The Josephin Domain Of Ataxin-3" . . . . . 95.79 182 100.00 100.00 5.58e-131 . . . . 6742 1 4 no PDB 2AGA . "De-Ubiquitinating Function Of Ataxin-3: Insights From The Solution Structure Of The Josephin Domain" . . . . . 99.47 190 100.00 100.00 3.43e-136 . . . . 6742 1 5 no PDB 2DOS . "Structural Basis For The Recognition Of Lys48-linked Polyubiquitin Chain By The Josephin Domain Of Ataxin-3, A Putative Deubiqu" . . . . . 92.11 176 100.00 100.00 2.91e-125 . . . . 6742 1 6 no PDB 2JRI . "Solution Structure Of The Josephin Domain Of Ataxin-3 In Complex With Ubiquitin Molecule." . . . . . 95.79 182 100.00 100.00 5.58e-131 . . . . 6742 1 7 no DBJ BAB18798 . "ataxin-3 [Homo sapiens]" . . . . . 64.74 306 99.19 100.00 6.39e-84 . . . . 6742 1 8 no DBJ BAB25825 . "unnamed protein product [Mus musculus]" . . . . . 97.37 351 98.92 100.00 2.82e-132 . . . . 6742 1 9 no DBJ BAB55645 . "ataxin-3 [Homo sapiens]" . . . . . 97.37 361 100.00 100.00 4.98e-134 . . . . 6742 1 10 no DBJ BAB55646 . "ataxin-3 [Homo sapiens]" . . . . . 97.37 364 100.00 100.00 1.37e-132 . . . . 6742 1 11 no DBJ BAC27155 . "unnamed protein product [Mus musculus]" . . . . . 97.37 355 98.38 100.00 1.13e-131 . . . . 6742 1 12 no EMBL CAA72986 . "spinocerebellar ataxia type 3 [Rattus norvegicus]" . . . . . 97.37 355 98.92 100.00 2.48e-132 . . . . 6742 1 13 no GB AAB33571 . "MJD1 protein [Homo sapiens]" . . . . . 97.37 360 100.00 100.00 1.86e-133 . . . . 6742 1 14 no GB AAB63352 . "josephin MJD1 [Homo sapiens]" . . . . . 97.37 361 100.00 100.00 4.14e-134 . . . . 6742 1 15 no GB AAB63353 . "josephin MJD1 [Homo sapiens]" . . . . . 97.37 364 100.00 100.00 1.34e-132 . . . . 6742 1 16 no GB AAB63354 . "josephin MJD1 [Homo sapiens]" . . . . . 96.84 373 100.00 100.00 1.58e-133 . . . . 6742 1 17 no GB AAH33711 . "ATXN3 protein [Homo sapiens]" . . . . . 97.37 370 100.00 100.00 3.21e-134 . . . . 6742 1 18 no REF NP_001092686 . "ataxin-3 [Bos taurus]" . . . . . 97.37 291 100.00 100.00 2.87e-133 . . . . 6742 1 19 no REF NP_001116553 . "ataxin-3 [Sus scrofa]" . . . . . 97.37 353 100.00 100.00 1.35e-133 . . . . 6742 1 20 no REF NP_001124408 . "ataxin-3 [Ovis aries]" . . . . . 97.37 291 100.00 100.00 2.55e-133 . . . . 6742 1 21 no REF NP_001158250 . "ataxin-3 isoform o [Homo sapiens]" . . . . . 67.89 154 100.00 100.00 6.21e-91 . . . . 6742 1 22 no REF NP_001161386 . "ataxin-3 isoform 2 [Mus musculus]" . . . . . 97.37 291 98.92 100.00 1.96e-132 . . . . 6742 1 23 no SP O35815 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Rattus norvegicus]" . . . . . 97.37 355 98.92 100.00 2.48e-132 . . . . 6742 1 24 no SP P54252 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1; AltName: Full=Spinocerebellar ataxia type 3 protein [Ho" . . . . . 97.37 364 100.00 100.00 1.37e-132 . . . . 6742 1 25 no SP Q9CVD2 . "RecName: Full=Ataxin-3; AltName: Full=Machado-Joseph disease protein 1 homolog [Mus musculus]" . . . . . 97.37 355 98.92 100.00 2.13e-132 . . . . 6742 1 26 no TPG DAA17354 . "TPA: ataxin-3 [Bos taurus]" . . . . . 97.37 291 100.00 100.00 2.87e-133 . . . . 6742 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID de-ubiquitinase 6742 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6742 1 2 . PRO . 6742 1 3 . LEU . 6742 1 4 . GLY . 6742 1 5 . SER . 6742 1 6 . MET . 6742 1 7 . GLU . 6742 1 8 . SER . 6742 1 9 . ILE . 6742 1 10 . PHE . 6742 1 11 . HIS . 6742 1 12 . GLU . 6742 1 13 . LYS . 6742 1 14 . GLN . 6742 1 15 . GLU . 6742 1 16 . GLY . 6742 1 17 . SER . 6742 1 18 . LEU . 6742 1 19 . CYS . 6742 1 20 . ALA . 6742 1 21 . GLN . 6742 1 22 . HIS . 6742 1 23 . CYS . 6742 1 24 . LEU . 6742 1 25 . ASN . 6742 1 26 . ASN . 6742 1 27 . LEU . 6742 1 28 . LEU . 6742 1 29 . GLN . 6742 1 30 . GLY . 6742 1 31 . GLU . 6742 1 32 . TYR . 6742 1 33 . PHE . 6742 1 34 . SER . 6742 1 35 . PRO . 6742 1 36 . VAL . 6742 1 37 . GLU . 6742 1 38 . LEU . 6742 1 39 . SER . 6742 1 40 . SER . 6742 1 41 . ILE . 6742 1 42 . ALA . 6742 1 43 . HIS . 6742 1 44 . GLN . 6742 1 45 . LEU . 6742 1 46 . ASP . 6742 1 47 . GLU . 6742 1 48 . GLU . 6742 1 49 . GLU . 6742 1 50 . ARG . 6742 1 51 . MET . 6742 1 52 . ARG . 6742 1 53 . MET . 6742 1 54 . ALA . 6742 1 55 . GLU . 6742 1 56 . GLY . 6742 1 57 . GLY . 6742 1 58 . VAL . 6742 1 59 . THR . 6742 1 60 . SER . 6742 1 61 . GLU . 6742 1 62 . ASP . 6742 1 63 . TYR . 6742 1 64 . ARG . 6742 1 65 . THR . 6742 1 66 . PHE . 6742 1 67 . LEU . 6742 1 68 . GLN . 6742 1 69 . GLN . 6742 1 70 . PRO . 6742 1 71 . SER . 6742 1 72 . GLY . 6742 1 73 . ASN . 6742 1 74 . MET . 6742 1 75 . ASP . 6742 1 76 . ASP . 6742 1 77 . SER . 6742 1 78 . GLY . 6742 1 79 . PHE . 6742 1 80 . PHE . 6742 1 81 . SER . 6742 1 82 . ILE . 6742 1 83 . GLN . 6742 1 84 . VAL . 6742 1 85 . ILE . 6742 1 86 . SER . 6742 1 87 . ASN . 6742 1 88 . ALA . 6742 1 89 . LEU . 6742 1 90 . LYS . 6742 1 91 . VAL . 6742 1 92 . TRP . 6742 1 93 . GLY . 6742 1 94 . LEU . 6742 1 95 . GLU . 6742 1 96 . LEU . 6742 1 97 . ILE . 6742 1 98 . LEU . 6742 1 99 . PHE . 6742 1 100 . ASN . 6742 1 101 . SER . 6742 1 102 . PRO . 6742 1 103 . GLU . 6742 1 104 . TYR . 6742 1 105 . GLN . 6742 1 106 . ARG . 6742 1 107 . LEU . 6742 1 108 . ARG . 6742 1 109 . ILE . 6742 1 110 . ASP . 6742 1 111 . PRO . 6742 1 112 . ILE . 6742 1 113 . ASN . 6742 1 114 . GLU . 6742 1 115 . ARG . 6742 1 116 . SER . 6742 1 117 . PHE . 6742 1 118 . ILE . 6742 1 119 . CYS . 6742 1 120 . ASN . 6742 1 121 . TYR . 6742 1 122 . LYS . 6742 1 123 . GLU . 6742 1 124 . HIS . 6742 1 125 . TRP . 6742 1 126 . PHE . 6742 1 127 . THR . 6742 1 128 . VAL . 6742 1 129 . ARG . 6742 1 130 . LYS . 6742 1 131 . LEU . 6742 1 132 . GLY . 6742 1 133 . LYS . 6742 1 134 . GLN . 6742 1 135 . TRP . 6742 1 136 . PHE . 6742 1 137 . ASN . 6742 1 138 . LEU . 6742 1 139 . ASN . 6742 1 140 . SER . 6742 1 141 . LEU . 6742 1 142 . LEU . 6742 1 143 . THR . 6742 1 144 . GLY . 6742 1 145 . PRO . 6742 1 146 . GLU . 6742 1 147 . LEU . 6742 1 148 . ILE . 6742 1 149 . SER . 6742 1 150 . ASP . 6742 1 151 . THR . 6742 1 152 . TYR . 6742 1 153 . LEU . 6742 1 154 . ALA . 6742 1 155 . LEU . 6742 1 156 . PHE . 6742 1 157 . LEU . 6742 1 158 . ALA . 6742 1 159 . GLN . 6742 1 160 . LEU . 6742 1 161 . GLN . 6742 1 162 . GLN . 6742 1 163 . GLU . 6742 1 164 . GLY . 6742 1 165 . TYR . 6742 1 166 . SER . 6742 1 167 . ILE . 6742 1 168 . PHE . 6742 1 169 . VAL . 6742 1 170 . VAL . 6742 1 171 . LYS . 6742 1 172 . GLY . 6742 1 173 . ASP . 6742 1 174 . LEU . 6742 1 175 . PRO . 6742 1 176 . ASP . 6742 1 177 . CYS . 6742 1 178 . GLU . 6742 1 179 . ALA . 6742 1 180 . ASP . 6742 1 181 . GLN . 6742 1 182 . LEU . 6742 1 183 . LEU . 6742 1 184 . GLN . 6742 1 185 . MET . 6742 1 186 . ILE . 6742 1 187 . ARG . 6742 1 188 . VAL . 6742 1 189 . GLN . 6742 1 190 . GLN . 6742 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6742 1 . PRO 2 2 6742 1 . LEU 3 3 6742 1 . GLY 4 4 6742 1 . SER 5 5 6742 1 . MET 6 6 6742 1 . GLU 7 7 6742 1 . SER 8 8 6742 1 . ILE 9 9 6742 1 . PHE 10 10 6742 1 . HIS 11 11 6742 1 . GLU 12 12 6742 1 . LYS 13 13 6742 1 . GLN 14 14 6742 1 . GLU 15 15 6742 1 . GLY 16 16 6742 1 . SER 17 17 6742 1 . LEU 18 18 6742 1 . CYS 19 19 6742 1 . ALA 20 20 6742 1 . GLN 21 21 6742 1 . HIS 22 22 6742 1 . CYS 23 23 6742 1 . LEU 24 24 6742 1 . ASN 25 25 6742 1 . ASN 26 26 6742 1 . LEU 27 27 6742 1 . LEU 28 28 6742 1 . GLN 29 29 6742 1 . GLY 30 30 6742 1 . GLU 31 31 6742 1 . TYR 32 32 6742 1 . PHE 33 33 6742 1 . SER 34 34 6742 1 . PRO 35 35 6742 1 . VAL 36 36 6742 1 . GLU 37 37 6742 1 . LEU 38 38 6742 1 . SER 39 39 6742 1 . SER 40 40 6742 1 . ILE 41 41 6742 1 . ALA 42 42 6742 1 . HIS 43 43 6742 1 . GLN 44 44 6742 1 . LEU 45 45 6742 1 . ASP 46 46 6742 1 . GLU 47 47 6742 1 . GLU 48 48 6742 1 . GLU 49 49 6742 1 . ARG 50 50 6742 1 . MET 51 51 6742 1 . ARG 52 52 6742 1 . MET 53 53 6742 1 . ALA 54 54 6742 1 . GLU 55 55 6742 1 . GLY 56 56 6742 1 . GLY 57 57 6742 1 . VAL 58 58 6742 1 . THR 59 59 6742 1 . SER 60 60 6742 1 . GLU 61 61 6742 1 . ASP 62 62 6742 1 . TYR 63 63 6742 1 . ARG 64 64 6742 1 . THR 65 65 6742 1 . PHE 66 66 6742 1 . LEU 67 67 6742 1 . GLN 68 68 6742 1 . GLN 69 69 6742 1 . PRO 70 70 6742 1 . SER 71 71 6742 1 . GLY 72 72 6742 1 . ASN 73 73 6742 1 . MET 74 74 6742 1 . ASP 75 75 6742 1 . ASP 76 76 6742 1 . SER 77 77 6742 1 . GLY 78 78 6742 1 . PHE 79 79 6742 1 . PHE 80 80 6742 1 . SER 81 81 6742 1 . ILE 82 82 6742 1 . GLN 83 83 6742 1 . VAL 84 84 6742 1 . ILE 85 85 6742 1 . SER 86 86 6742 1 . ASN 87 87 6742 1 . ALA 88 88 6742 1 . LEU 89 89 6742 1 . LYS 90 90 6742 1 . VAL 91 91 6742 1 . TRP 92 92 6742 1 . GLY 93 93 6742 1 . LEU 94 94 6742 1 . GLU 95 95 6742 1 . LEU 96 96 6742 1 . ILE 97 97 6742 1 . LEU 98 98 6742 1 . PHE 99 99 6742 1 . ASN 100 100 6742 1 . SER 101 101 6742 1 . PRO 102 102 6742 1 . GLU 103 103 6742 1 . TYR 104 104 6742 1 . GLN 105 105 6742 1 . ARG 106 106 6742 1 . LEU 107 107 6742 1 . ARG 108 108 6742 1 . ILE 109 109 6742 1 . ASP 110 110 6742 1 . PRO 111 111 6742 1 . ILE 112 112 6742 1 . ASN 113 113 6742 1 . GLU 114 114 6742 1 . ARG 115 115 6742 1 . SER 116 116 6742 1 . PHE 117 117 6742 1 . ILE 118 118 6742 1 . CYS 119 119 6742 1 . ASN 120 120 6742 1 . TYR 121 121 6742 1 . LYS 122 122 6742 1 . GLU 123 123 6742 1 . HIS 124 124 6742 1 . TRP 125 125 6742 1 . PHE 126 126 6742 1 . THR 127 127 6742 1 . VAL 128 128 6742 1 . ARG 129 129 6742 1 . LYS 130 130 6742 1 . LEU 131 131 6742 1 . GLY 132 132 6742 1 . LYS 133 133 6742 1 . GLN 134 134 6742 1 . TRP 135 135 6742 1 . PHE 136 136 6742 1 . ASN 137 137 6742 1 . LEU 138 138 6742 1 . ASN 139 139 6742 1 . SER 140 140 6742 1 . LEU 141 141 6742 1 . LEU 142 142 6742 1 . THR 143 143 6742 1 . GLY 144 144 6742 1 . PRO 145 145 6742 1 . GLU 146 146 6742 1 . LEU 147 147 6742 1 . ILE 148 148 6742 1 . SER 149 149 6742 1 . ASP 150 150 6742 1 . THR 151 151 6742 1 . TYR 152 152 6742 1 . LEU 153 153 6742 1 . ALA 154 154 6742 1 . LEU 155 155 6742 1 . PHE 156 156 6742 1 . LEU 157 157 6742 1 . ALA 158 158 6742 1 . GLN 159 159 6742 1 . LEU 160 160 6742 1 . GLN 161 161 6742 1 . GLN 162 162 6742 1 . GLU 163 163 6742 1 . GLY 164 164 6742 1 . TYR 165 165 6742 1 . SER 166 166 6742 1 . ILE 167 167 6742 1 . PHE 168 168 6742 1 . VAL 169 169 6742 1 . VAL 170 170 6742 1 . LYS 171 171 6742 1 . GLY 172 172 6742 1 . ASP 173 173 6742 1 . LEU 174 174 6742 1 . PRO 175 175 6742 1 . ASP 176 176 6742 1 . CYS 177 177 6742 1 . GLU 178 178 6742 1 . ALA 179 179 6742 1 . ASP 180 180 6742 1 . GLN 181 181 6742 1 . LEU 182 182 6742 1 . LEU 183 183 6742 1 . GLN 184 184 6742 1 . MET 185 185 6742 1 . ILE 186 186 6742 1 . ARG 187 187 6742 1 . VAL 188 188 6742 1 . GLN 189 189 6742 1 . GLN 190 190 6742 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 6742 _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 $ataxin-3_josephin_domain . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6742 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 6742 _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 $ataxin-3_josephin_domain . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6742 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'ataxin-3 josephin domain' '[U-100% 13C; U-100% 15N]' 1 $assembly 1 $ataxin-3_josephin_domain . . 1.5 . . mM . . . . 6742 1 2 'potassium phospate buffer' . . . . . . . 20 . . mM . . . . 6742 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6742 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.2 pH 6742 1 temperature 298 2 K 6742 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Varian_Inova_600_MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Varian_Inova_600_MHz_spectrometer _NMR_spectrometer.Entry_ID 6742 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6742 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D-HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $Varian_Inova_600_MHz_spectrometer . . . . . . . . . . . . . . . . 6742 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 3 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 4 HN(CO)CA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 5 HCACO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 6 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 7 (HCA)CO(CA)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 8 CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 9 HCC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 10 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6742 1 stop_ save_ save_3D-HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D-HNCO _NMR_spec_expt.Entry_ID 6742 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 3D-HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $Varian_Inova_600_MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6742 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6742 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6742 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6742 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6742 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 $sample_1 isotropic 6742 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.460 0.006 . . . . . . 2 PRO HA . 6742 1 2 . 1 1 2 2 PRO HB2 H 1 2.294 0.005 . . . . . . 2 PRO HB2 . 6742 1 3 . 1 1 2 2 PRO HB3 H 1 1.931 0.008 . . . . . . 2 PRO HB3 . 6742 1 4 . 1 1 2 2 PRO HG2 H 1 2.002 0.007 . . . . . . 2 PRO QG . 6742 1 5 . 1 1 2 2 PRO HG3 H 1 2.002 0.007 . . . . . . 2 PRO QG . 6742 1 6 . 1 1 2 2 PRO HD2 H 1 3.564 0.004 . . . . . . 2 PRO QD . 6742 1 7 . 1 1 2 2 PRO HD3 H 1 3.564 0.004 . . . . . . 2 PRO QD . 6742 1 8 . 1 1 2 2 PRO C C 13 176.836 0.017 . . . . . . 2 PRO C . 6742 1 9 . 1 1 2 2 PRO CA C 13 63.453 0.063 . . . . . . 2 PRO CA . 6742 1 10 . 1 1 2 2 PRO CB C 13 32.560 0.043 . . . . . . 2 PRO CB . 6742 1 11 . 1 1 2 2 PRO CG C 13 27.313 0.011 . . . . . . 2 PRO CG . 6742 1 12 . 1 1 2 2 PRO CD C 13 49.969 0.042 . . . . . . 2 PRO CD . 6742 1 13 . 1 1 3 3 LEU H H 1 8.482 0.005 . . . . . . 3 LEU HN . 6742 1 14 . 1 1 3 3 LEU HA H 1 4.355 0.005 . . . . . . 3 LEU HA . 6742 1 15 . 1 1 3 3 LEU HB2 H 1 1.617 0.004 . . . . . . 3 LEU QB . 6742 1 16 . 1 1 3 3 LEU HB3 H 1 1.617 0.004 . . . . . . 3 LEU QB . 6742 1 17 . 1 1 3 3 LEU HG H 1 1.641 0.009 . . . . . . 3 LEU HG . 6742 1 18 . 1 1 3 3 LEU HD11 H 1 0.915 0.005 . . . . . . 3 LEU QD1 . 6742 1 19 . 1 1 3 3 LEU HD12 H 1 0.915 0.005 . . . . . . 3 LEU QD1 . 6742 1 20 . 1 1 3 3 LEU HD13 H 1 0.915 0.005 . . . . . . 3 LEU QD1 . 6742 1 21 . 1 1 3 3 LEU HD21 H 1 0.870 0.001 . . . . . . 3 LEU QD2 . 6742 1 22 . 1 1 3 3 LEU HD22 H 1 0.870 0.001 . . . . . . 3 LEU QD2 . 6742 1 23 . 1 1 3 3 LEU HD23 H 1 0.870 0.001 . . . . . . 3 LEU QD2 . 6742 1 24 . 1 1 3 3 LEU C C 13 177.839 0.015 . . . . . . 3 LEU C . 6742 1 25 . 1 1 3 3 LEU CA C 13 55.600 0.041 . . . . . . 3 LEU CA . 6742 1 26 . 1 1 3 3 LEU CB C 13 42.730 0.113 . . . . . . 3 LEU CB . 6742 1 27 . 1 1 3 3 LEU CG C 13 27.319 0.007 . . . . . . 3 LEU CG . 6742 1 28 . 1 1 3 3 LEU CD1 C 13 25.287 0.041 . . . . . . 3 LEU CD1 . 6742 1 29 . 1 1 3 3 LEU CD2 C 13 23.813 0.058 . . . . . . 3 LEU CD2 . 6742 1 30 . 1 1 3 3 LEU N N 15 121.819 0.039 . . . . . . 3 LEU N . 6742 1 31 . 1 1 4 4 GLY H H 1 8.467 0.007 . . . . . . 4 GLY HN . 6742 1 32 . 1 1 4 4 GLY HA2 H 1 3.952 0.012 . . . . . . 4 GLY HA1 . 6742 1 33 . 1 1 4 4 GLY C C 13 174.379 0.000 . . . . . . 4 GLY C . 6742 1 34 . 1 1 4 4 GLY CA C 13 45.746 0.039 . . . . . . 4 GLY CA . 6742 1 35 . 1 1 4 4 GLY N N 15 109.905 0.043 . . . . . . 4 GLY N . 6742 1 36 . 1 1 5 5 SER H H 1 8.340 0.007 . . . . . . 5 SER HN . 6742 1 37 . 1 1 5 5 SER HA H 1 4.405 0.005 . . . . . . 5 SER HA . 6742 1 38 . 1 1 5 5 SER HB2 H 1 3.881 0.002 . . . . . . 5 SER HB2 . 6742 1 39 . 1 1 5 5 SER C C 13 175.374 0.000 . . . . . . 5 SER C . 6742 1 40 . 1 1 5 5 SER CA C 13 59.293 0.070 . . . . . . 5 SER CA . 6742 1 41 . 1 1 5 5 SER CB C 13 64.034 0.083 . . . . . . 5 SER CB . 6742 1 42 . 1 1 5 5 SER N N 15 116.060 0.049 . . . . . . 5 SER N . 6742 1 43 . 1 1 6 6 MET H H 1 8.572 0.008 . . . . . . 6 MET HN . 6742 1 44 . 1 1 6 6 MET HA H 1 4.231 0.007 . . . . . . 6 MET HA . 6742 1 45 . 1 1 6 6 MET HB2 H 1 2.055 0.011 . . . . . . 6 MET QB . 6742 1 46 . 1 1 6 6 MET HB3 H 1 2.055 0.011 . . . . . . 6 MET QB . 6742 1 47 . 1 1 6 6 MET HG2 H 1 2.635 0.008 . . . . . . 6 MET HG2 . 6742 1 48 . 1 1 6 6 MET HG3 H 1 2.443 0.010 . . . . . . 6 MET HG3 . 6742 1 49 . 1 1 6 6 MET HE1 H 1 2.082 0.008 . . . . . . 6 MET QE . 6742 1 50 . 1 1 6 6 MET HE2 H 1 2.082 0.008 . . . . . . 6 MET QE . 6742 1 51 . 1 1 6 6 MET HE3 H 1 2.082 0.008 . . . . . . 6 MET QE . 6742 1 52 . 1 1 6 6 MET C C 13 177.303 0.036 . . . . . . 6 MET C . 6742 1 53 . 1 1 6 6 MET CA C 13 56.841 0.036 . . . . . . 6 MET CA . 6742 1 54 . 1 1 6 6 MET CB C 13 32.721 0.089 . . . . . . 6 MET CB . 6742 1 55 . 1 1 6 6 MET CG C 13 32.845 0.034 . . . . . . 6 MET CG . 6742 1 56 . 1 1 6 6 MET CE C 13 17.533 0.041 . . . . . . 6 MET CE . 6742 1 57 . 1 1 6 6 MET N N 15 120.810 0.062 . . . . . . 6 MET N . 6742 1 58 . 1 1 7 7 GLU H H 1 8.358 0.007 . . . . . . 7 GLU HN . 6742 1 59 . 1 1 7 7 GLU HA H 1 4.061 0.015 . . . . . . 7 GLU HA . 6742 1 60 . 1 1 7 7 GLU HB2 H 1 2.042 0.012 . . . . . . 7 GLU QB . 6742 1 61 . 1 1 7 7 GLU HB3 H 1 2.042 0.012 . . . . . . 7 GLU QB . 6742 1 62 . 1 1 7 7 GLU HG2 H 1 2.282 0.002 . . . . . . 7 GLU QG . 6742 1 63 . 1 1 7 7 GLU HG3 H 1 2.282 0.002 . . . . . . 7 GLU QG . 6742 1 64 . 1 1 7 7 GLU C C 13 176.615 0.000 . . . . . . 7 GLU C . 6742 1 65 . 1 1 7 7 GLU CA C 13 58.776 0.090 . . . . . . 7 GLU CA . 6742 1 66 . 1 1 7 7 GLU CB C 13 29.802 0.164 . . . . . . 7 GLU CB . 6742 1 67 . 1 1 7 7 GLU CG C 13 36.669 0.003 . . . . . . 7 GLU CG . 6742 1 68 . 1 1 7 7 GLU N N 15 119.831 0.081 . . . . . . 7 GLU N . 6742 1 69 . 1 1 8 8 SER H H 1 7.893 0.010 . . . . . . 8 SER HN . 6742 1 70 . 1 1 8 8 SER HA H 1 4.256 0.009 . . . . . . 8 SER HA . 6742 1 71 . 1 1 8 8 SER HB2 H 1 3.752 0.010 . . . . . . 8 SER QB . 6742 1 72 . 1 1 8 8 SER HB3 H 1 3.752 0.010 . . . . . . 8 SER QB . 6742 1 73 . 1 1 8 8 SER C C 13 173.811 0.005 . . . . . . 8 SER C . 6742 1 74 . 1 1 8 8 SER CA C 13 59.757 0.076 . . . . . . 8 SER CA . 6742 1 75 . 1 1 8 8 SER CB C 13 64.062 0.057 . . . . . . 8 SER CB . 6742 1 76 . 1 1 8 8 SER N N 15 112.906 0.039 . . . . . . 8 SER N . 6742 1 77 . 1 1 9 9 ILE H H 1 7.324 0.006 . . . . . . 9 ILE HN . 6742 1 78 . 1 1 9 9 ILE HA H 1 3.549 0.011 . . . . . . 9 ILE HA . 6742 1 79 . 1 1 9 9 ILE HB H 1 1.572 0.007 . . . . . . 9 ILE HB . 6742 1 80 . 1 1 9 9 ILE HG12 H 1 1.335 0.013 . . . . . . 9 ILE HG12 . 6742 1 81 . 1 1 9 9 ILE HG13 H 1 0.386 0.008 . . . . . . 9 ILE HG13 . 6742 1 82 . 1 1 9 9 ILE HG21 H 1 0.489 0.008 . . . . . . 9 ILE QG2 . 6742 1 83 . 1 1 9 9 ILE HG22 H 1 0.489 0.008 . . . . . . 9 ILE QG2 . 6742 1 84 . 1 1 9 9 ILE HG23 H 1 0.489 0.008 . . . . . . 9 ILE QG2 . 6742 1 85 . 1 1 9 9 ILE HD11 H 1 -0.052 0.005 . . . . . . 9 ILE QD1 . 6742 1 86 . 1 1 9 9 ILE HD12 H 1 -0.052 0.005 . . . . . . 9 ILE QD1 . 6742 1 87 . 1 1 9 9 ILE HD13 H 1 -0.052 0.005 . . . . . . 9 ILE QD1 . 6742 1 88 . 1 1 9 9 ILE C C 13 174.887 0.001 . . . . . . 9 ILE C . 6742 1 89 . 1 1 9 9 ILE CA C 13 62.856 0.107 . . . . . . 9 ILE CA . 6742 1 90 . 1 1 9 9 ILE CB C 13 39.031 0.116 . . . . . . 9 ILE CB . 6742 1 91 . 1 1 9 9 ILE CG1 C 13 28.064 0.054 . . . . . . 9 ILE CG1 . 6742 1 92 . 1 1 9 9 ILE CG2 C 13 17.276 0.050 . . . . . . 9 ILE CG2 . 6742 1 93 . 1 1 9 9 ILE CD1 C 13 13.131 0.050 . . . . . . 9 ILE CD1 . 6742 1 94 . 1 1 9 9 ILE N N 15 122.268 0.083 . . . . . . 9 ILE N . 6742 1 95 . 1 1 10 10 PHE H H 1 8.840 0.008 . . . . . . 10 PHE HN . 6742 1 96 . 1 1 10 10 PHE HA H 1 4.242 0.002 . . . . . . 10 PHE HA . 6742 1 97 . 1 1 10 10 PHE HB2 H 1 2.762 0.015 . . . . . . 10 PHE QB . 6742 1 98 . 1 1 10 10 PHE HB3 H 1 2.762 0.015 . . . . . . 10 PHE QB . 6742 1 99 . 1 1 10 10 PHE C C 13 173.882 0.048 . . . . . . 10 PHE C . 6742 1 100 . 1 1 10 10 PHE CA C 13 58.763 0.073 . . . . . . 10 PHE CA . 6742 1 101 . 1 1 10 10 PHE CB C 13 38.890 0.029 . . . . . . 10 PHE CB . 6742 1 102 . 1 1 10 10 PHE N N 15 132.236 0.045 . . . . . . 10 PHE N . 6742 1 103 . 1 1 10 10 PHE HD1 H 1 7.210 0.011 . . . . . . 10 PHE QR . 6742 1 104 . 1 1 10 10 PHE HD2 H 1 7.210 0.011 . . . . . . 10 PHE QR . 6742 1 105 . 1 1 11 11 HIS H H 1 8.067 0.006 . . . . . . 11 HIS HN . 6742 1 106 . 1 1 11 11 HIS HA H 1 4.421 0.010 . . . . . . 11 HIS HA . 6742 1 107 . 1 1 11 11 HIS HB2 H 1 2.776 0.019 . . . . . . 11 HIS HB2 . 6742 1 108 . 1 1 11 11 HIS HB3 H 1 2.554 0.013 . . . . . . 11 HIS HB3 . 6742 1 109 . 1 1 11 11 HIS HE1 H 1 7.157 0.003 . . . . . . 11 HIS HE1 . 6742 1 110 . 1 1 11 11 HIS C C 13 172.462 0.007 . . . . . . 11 HIS C . 6742 1 111 . 1 1 11 11 HIS CA C 13 56.546 0.033 . . . . . . 11 HIS CA . 6742 1 112 . 1 1 11 11 HIS N N 15 128.266 0.082 . . . . . . 11 HIS N . 6742 1 113 . 1 1 12 12 GLU H H 1 9.720 0.010 . . . . . . 12 GLU HN . 6742 1 114 . 1 1 12 12 GLU HA H 1 3.905 0.010 . . . . . . 12 GLU HA . 6742 1 115 . 1 1 12 12 GLU HB2 H 1 1.965 0.007 . . . . . . 12 GLU HB2 . 6742 1 116 . 1 1 12 12 GLU HB3 H 1 1.774 0.003 . . . . . . 12 GLU HB3 . 6742 1 117 . 1 1 12 12 GLU HG2 H 1 2.334 0.007 . . . . . . 12 GLU HG2 . 6742 1 118 . 1 1 12 12 GLU HG3 H 1 2.101 0.008 . . . . . . 12 GLU HG3 . 6742 1 119 . 1 1 12 12 GLU C C 13 175.488 0.021 . . . . . . 12 GLU C . 6742 1 120 . 1 1 12 12 GLU CA C 13 56.564 0.057 . . . . . . 12 GLU CA . 6742 1 121 . 1 1 12 12 GLU CG C 13 37.702 0.040 . . . . . . 12 GLU CG . 6742 1 122 . 1 1 12 12 GLU N N 15 129.701 0.064 . . . . . . 12 GLU N . 6742 1 123 . 1 1 13 13 LYS H H 1 7.728 0.005 . . . . . . 13 LYS HN . 6742 1 124 . 1 1 13 13 LYS HA H 1 4.284 0.011 . . . . . . 13 LYS HA . 6742 1 125 . 1 1 13 13 LYS HB2 H 1 1.423 0.005 . . . . . . 13 LYS HB2 . 6742 1 126 . 1 1 13 13 LYS HB3 H 1 1.743 0.014 . . . . . . 13 LYS HB3 . 6742 1 127 . 1 1 13 13 LYS HG2 H 1 1.079 0.008 . . . . . . 13 LYS HG2 . 6742 1 128 . 1 1 13 13 LYS HG3 H 1 1.330 0.003 . . . . . . 13 LYS HG3 . 6742 1 129 . 1 1 13 13 LYS HD2 H 1 1.565 0.007 . . . . . . 13 LYS QD . 6742 1 130 . 1 1 13 13 LYS HD3 H 1 1.565 0.007 . . . . . . 13 LYS QD . 6742 1 131 . 1 1 13 13 LYS HE2 H 1 2.943 0.009 . . . . . . 13 LYS QE . 6742 1 132 . 1 1 13 13 LYS HE3 H 1 2.943 0.009 . . . . . . 13 LYS QE . 6742 1 133 . 1 1 13 13 LYS C C 13 175.318 0.039 . . . . . . 13 LYS C . 6742 1 134 . 1 1 13 13 LYS CA C 13 54.863 0.070 . . . . . . 13 LYS CA . 6742 1 135 . 1 1 13 13 LYS CB C 13 34.022 0.059 . . . . . . 13 LYS CB . 6742 1 136 . 1 1 13 13 LYS CG C 13 24.996 0.085 . . . . . . 13 LYS CG . 6742 1 137 . 1 1 13 13 LYS CD C 13 29.126 0.035 . . . . . . 13 LYS CD . 6742 1 138 . 1 1 13 13 LYS CE C 13 42.191 0.000 . . . . . . 13 LYS CE . 6742 1 139 . 1 1 13 13 LYS N N 15 121.176 0.052 . . . . . . 13 LYS N . 6742 1 140 . 1 1 14 14 GLN H H 1 7.741 0.007 . . . . . . 14 GLN HN . 6742 1 141 . 1 1 14 14 GLN HA H 1 4.379 0.006 . . . . . . 14 GLN HA . 6742 1 142 . 1 1 14 14 GLN HB2 H 1 1.828 0.012 . . . . . . 14 GLN HB2 . 6742 1 143 . 1 1 14 14 GLN HB3 H 1 2.242 0.003 . . . . . . 14 GLN HB3 . 6742 1 144 . 1 1 14 14 GLN HG2 H 1 2.161 0.006 . . . . . . 14 GLN HG2 . 6742 1 145 . 1 1 14 14 GLN HG3 H 1 2.327 0.003 . . . . . . 14 GLN HG3 . 6742 1 146 . 1 1 14 14 GLN HE21 H 1 7.141 0.002 . . . . . . 14 GLN HE21 . 6742 1 147 . 1 1 14 14 GLN HE22 H 1 7.928 0.003 . . . . . . 14 GLN HE22 . 6742 1 148 . 1 1 14 14 GLN C C 13 174.679 0.028 . . . . . . 14 GLN C . 6742 1 149 . 1 1 14 14 GLN CA C 13 54.526 0.066 . . . . . . 14 GLN CA . 6742 1 150 . 1 1 14 14 GLN N N 15 117.730 0.015 . . . . . . 14 GLN N . 6742 1 151 . 1 1 14 14 GLN NE2 N 15 112.400 0.012 . . . . . . 14 GLN NE2 . 6742 1 152 . 1 1 15 15 GLU H H 1 8.941 0.029 . . . . . . 15 GLU HN . 6742 1 153 . 1 1 15 15 GLU HA H 1 4.477 0.012 . . . . . . 15 GLU HA . 6742 1 154 . 1 1 15 15 GLU HB2 H 1 1.947 0.005 . . . . . . 15 GLU HB2 . 6742 1 155 . 1 1 15 15 GLU HB3 H 1 2.104 0.015 . . . . . . 15 GLU HB3 . 6742 1 156 . 1 1 15 15 GLU HG2 H 1 2.240 0.012 . . . . . . 15 GLU QG . 6742 1 157 . 1 1 15 15 GLU HG3 H 1 2.240 0.012 . . . . . . 15 GLU QG . 6742 1 158 . 1 1 15 15 GLU C C 13 176.302 0.020 . . . . . . 15 GLU C . 6742 1 159 . 1 1 15 15 GLU CA C 13 56.319 0.068 . . . . . . 15 GLU CA . 6742 1 160 . 1 1 15 15 GLU CB C 13 31.150 0.082 . . . . . . 15 GLU CB . 6742 1 161 . 1 1 15 15 GLU CG C 13 36.404 0.045 . . . . . . 15 GLU CG . 6742 1 162 . 1 1 15 15 GLU N N 15 124.535 0.135 . . . . . . 15 GLU N . 6742 1 163 . 1 1 16 16 GLY H H 1 8.545 0.006 . . . . . . 16 GLY HN . 6742 1 164 . 1 1 16 16 GLY HA2 H 1 4.082 0.004 . . . . . . 16 GLY QA . 6742 1 165 . 1 1 16 16 GLY HA3 H 1 4.082 0.004 . . . . . . 16 GLY QA . 6742 1 166 . 1 1 16 16 GLY C C 13 174.527 0.000 . . . . . . 16 GLY C . 6742 1 167 . 1 1 16 16 GLY CA C 13 45.732 0.045 . . . . . . 16 GLY CA . 6742 1 168 . 1 1 16 16 GLY N N 15 112.079 0.044 . . . . . . 16 GLY N . 6742 1 169 . 1 1 17 17 SER H H 1 8.609 0.007 . . . . . . 17 SER HN . 6742 1 170 . 1 1 17 17 SER HA H 1 4.494 0.006 . . . . . . 17 SER HA . 6742 1 171 . 1 1 17 17 SER HB2 H 1 3.940 0.007 . . . . . . 17 SER HB2 . 6742 1 172 . 1 1 17 17 SER HB3 H 1 4.025 0.006 . . . . . . 17 SER HB3 . 6742 1 173 . 1 1 17 17 SER C C 13 174.621 0.035 . . . . . . 17 SER C . 6742 1 174 . 1 1 17 17 SER CA C 13 59.540 0.037 . . . . . . 17 SER CA . 6742 1 175 . 1 1 17 17 SER CB C 13 64.257 0.043 . . . . . . 17 SER CB . 6742 1 176 . 1 1 17 17 SER N N 15 117.205 0.044 . . . . . . 17 SER N . 6742 1 177 . 1 1 18 18 LEU H H 1 8.055 0.006 . . . . . . 18 LEU HN . 6742 1 178 . 1 1 18 18 LEU HA H 1 4.676 0.003 . . . . . . 18 LEU HA . 6742 1 179 . 1 1 18 18 LEU HB2 H 1 1.857 0.005 . . . . . . 18 LEU QB . 6742 1 180 . 1 1 18 18 LEU HB3 H 1 1.857 0.005 . . . . . . 18 LEU QB . 6742 1 181 . 1 1 18 18 LEU HG H 1 1.865 0.012 . . . . . . 18 LEU HG . 6742 1 182 . 1 1 18 18 LEU HD11 H 1 1.009 0.005 . . . . . . 18 LEU QD1 . 6742 1 183 . 1 1 18 18 LEU HD12 H 1 1.009 0.005 . . . . . . 18 LEU QD1 . 6742 1 184 . 1 1 18 18 LEU HD13 H 1 1.009 0.005 . . . . . . 18 LEU QD1 . 6742 1 185 . 1 1 18 18 LEU HD21 H 1 1.114 0.006 . . . . . . 18 LEU QD2 . 6742 1 186 . 1 1 18 18 LEU HD22 H 1 1.114 0.006 . . . . . . 18 LEU QD2 . 6742 1 187 . 1 1 18 18 LEU HD23 H 1 1.114 0.006 . . . . . . 18 LEU QD2 . 6742 1 188 . 1 1 18 18 LEU C C 13 176.370 0.005 . . . . . . 18 LEU C . 6742 1 189 . 1 1 18 18 LEU CA C 13 56.163 0.044 . . . . . . 18 LEU CA . 6742 1 190 . 1 1 18 18 LEU CB C 13 41.345 0.052 . . . . . . 18 LEU CB . 6742 1 191 . 1 1 18 18 LEU CG C 13 27.803 0.018 . . . . . . 18 LEU CG . 6742 1 192 . 1 1 18 18 LEU CD1 C 13 24.881 0.048 . . . . . . 18 LEU CD1 . 6742 1 193 . 1 1 18 18 LEU CD2 C 13 25.515 0.065 . . . . . . 18 LEU CD2 . 6742 1 194 . 1 1 18 18 LEU N N 15 123.079 0.056 . . . . . . 18 LEU N . 6742 1 195 . 1 1 19 19 CYS H H 1 9.268 0.008 . . . . . . 19 CYS HN . 6742 1 196 . 1 1 19 19 CYS HA H 1 5.003 0.009 . . . . . . 19 CYS HA . 6742 1 197 . 1 1 19 19 CYS HB2 H 1 3.455 0.009 . . . . . . 19 CYS HB2 . 6742 1 198 . 1 1 19 19 CYS HB3 H 1 3.354 0.013 . . . . . . 19 CYS HB3 . 6742 1 199 . 1 1 19 19 CYS C C 13 176.828 0.027 . . . . . . 19 CYS C . 6742 1 200 . 1 1 19 19 CYS CA C 13 59.178 0.070 . . . . . . 19 CYS CA . 6742 1 201 . 1 1 19 19 CYS CB C 13 30.741 0.001 . . . . . . 19 CYS CB . 6742 1 202 . 1 1 19 19 CYS N N 15 119.126 0.066 . . . . . . 19 CYS N . 6742 1 203 . 1 1 20 20 ALA H H 1 8.879 0.011 . . . . . . 20 ALA HN . 6742 1 204 . 1 1 20 20 ALA HA H 1 3.664 0.005 . . . . . . 20 ALA HA . 6742 1 205 . 1 1 20 20 ALA HB1 H 1 1.002 0.007 . . . . . . 20 ALA QB . 6742 1 206 . 1 1 20 20 ALA HB2 H 1 1.002 0.007 . . . . . . 20 ALA QB . 6742 1 207 . 1 1 20 20 ALA HB3 H 1 1.002 0.007 . . . . . . 20 ALA QB . 6742 1 208 . 1 1 20 20 ALA C C 13 177.695 0.002 . . . . . . 20 ALA C . 6742 1 209 . 1 1 20 20 ALA CA C 13 56.697 0.054 . . . . . . 20 ALA CA . 6742 1 210 . 1 1 20 20 ALA CB C 13 19.236 0.056 . . . . . . 20 ALA CB . 6742 1 211 . 1 1 20 20 ALA N N 15 126.814 0.059 . . . . . . 20 ALA N . 6742 1 212 . 1 1 21 21 GLN H H 1 8.890 0.007 . . . . . . 21 GLN HN . 6742 1 213 . 1 1 21 21 GLN HA H 1 3.551 0.008 . . . . . . 21 GLN HA . 6742 1 214 . 1 1 21 21 GLN HB2 H 1 1.730 0.004 . . . . . . 21 GLN HB2 . 6742 1 215 . 1 1 21 21 GLN HB3 H 1 1.370 0.010 . . . . . . 21 GLN HB3 . 6742 1 216 . 1 1 21 21 GLN HG2 H 1 2.195 0.013 . . . . . . 21 GLN HG2 . 6742 1 217 . 1 1 21 21 GLN HG3 H 1 1.786 0.002 . . . . . . 21 GLN HG3 . 6742 1 218 . 1 1 21 21 GLN HE21 H 1 7.652 0.003 . . . . . . 21 GLN HE21 . 6742 1 219 . 1 1 21 21 GLN HE22 H 1 6.060 0.000 . . . . . . 21 GLN HE22 . 6742 1 220 . 1 1 21 21 GLN C C 13 175.733 0.025 . . . . . . 21 GLN C . 6742 1 221 . 1 1 21 21 GLN CA C 13 58.955 0.079 . . . . . . 21 GLN CA . 6742 1 222 . 1 1 21 21 GLN N N 15 115.825 0.038 . . . . . . 21 GLN N . 6742 1 223 . 1 1 21 21 GLN NE2 N 15 110.100 0.000 . . . . . . 21 GLN NE2 . 6742 1 224 . 1 1 22 22 HIS H H 1 6.910 0.008 . . . . . . 22 HIS HN . 6742 1 225 . 1 1 22 22 HIS HA H 1 4.861 0.000 . . . . . . 22 HIS HA . 6742 1 226 . 1 1 22 22 HIS HB2 H 1 3.140 0.000 . . . . . . 22 HIS HB2 . 6742 1 227 . 1 1 22 22 HIS HB3 H 1 3.456 0.000 . . . . . . 22 HIS HB3 . 6742 1 228 . 1 1 22 22 HIS C C 13 176.207 0.005 . . . . . . 22 HIS C . 6742 1 229 . 1 1 22 22 HIS CA C 13 57.600 0.049 . . . . . . 22 HIS CA . 6742 1 230 . 1 1 22 22 HIS N N 15 118.564 0.079 . . . . . . 22 HIS N . 6742 1 231 . 1 1 23 23 CYS H H 1 8.273 0.015 . . . . . . 23 CYS HN . 6742 1 232 . 1 1 23 23 CYS HA H 1 4.497 0.008 . . . . . . 23 CYS HA . 6742 1 233 . 1 1 23 23 CYS HB2 H 1 3.055 0.001 . . . . . . 23 CYS HB2 . 6742 1 234 . 1 1 23 23 CYS HB3 H 1 2.923 0.002 . . . . . . 23 CYS HB3 . 6742 1 235 . 1 1 23 23 CYS C C 13 176.962 0.007 . . . . . . 23 CYS C . 6742 1 236 . 1 1 23 23 CYS CA C 13 61.743 0.097 . . . . . . 23 CYS CA . 6742 1 237 . 1 1 23 23 CYS N N 15 119.560 0.048 . . . . . . 23 CYS N . 6742 1 238 . 1 1 24 24 LEU H H 1 7.386 0.006 . . . . . . 24 LEU HN . 6742 1 239 . 1 1 24 24 LEU HA H 1 3.799 0.009 . . . . . . 24 LEU HA . 6742 1 240 . 1 1 24 24 LEU HB2 H 1 1.394 0.009 . . . . . . 24 LEU HB2 . 6742 1 241 . 1 1 24 24 LEU HB3 H 1 0.942 0.018 . . . . . . 24 LEU HB3 . 6742 1 242 . 1 1 24 24 LEU HG H 1 1.409 0.005 . . . . . . 24 LEU HG . 6742 1 243 . 1 1 24 24 LEU HD11 H 1 0.309 0.004 . . . . . . 24 LEU QD1 . 6742 1 244 . 1 1 24 24 LEU HD12 H 1 0.309 0.004 . . . . . . 24 LEU QD1 . 6742 1 245 . 1 1 24 24 LEU HD13 H 1 0.309 0.004 . . . . . . 24 LEU QD1 . 6742 1 246 . 1 1 24 24 LEU HD21 H 1 -0.281 0.006 . . . . . . 24 LEU QD2 . 6742 1 247 . 1 1 24 24 LEU HD22 H 1 -0.281 0.006 . . . . . . 24 LEU QD2 . 6742 1 248 . 1 1 24 24 LEU HD23 H 1 -0.281 0.006 . . . . . . 24 LEU QD2 . 6742 1 249 . 1 1 24 24 LEU C C 13 177.802 0.027 . . . . . . 24 LEU C . 6742 1 250 . 1 1 24 24 LEU CA C 13 58.078 0.062 . . . . . . 24 LEU CA . 6742 1 251 . 1 1 24 24 LEU CB C 13 42.070 0.054 . . . . . . 24 LEU CB . 6742 1 252 . 1 1 24 24 LEU CG C 13 26.097 0.053 . . . . . . 24 LEU CG . 6742 1 253 . 1 1 24 24 LEU CD1 C 13 22.199 0.045 . . . . . . 24 LEU CD1 . 6742 1 254 . 1 1 24 24 LEU CD2 C 13 25.241 0.075 . . . . . . 24 LEU CD2 . 6742 1 255 . 1 1 24 24 LEU N N 15 118.154 0.049 . . . . . . 24 LEU N . 6742 1 256 . 1 1 25 25 ASN H H 1 8.494 0.007 . . . . . . 25 ASN HN . 6742 1 257 . 1 1 25 25 ASN HA H 1 5.022 0.006 . . . . . . 25 ASN HA . 6742 1 258 . 1 1 25 25 ASN HB2 H 1 2.973 0.015 . . . . . . 25 ASN HB2 . 6742 1 259 . 1 1 25 25 ASN HB3 H 1 3.294 0.020 . . . . . . 25 ASN HB3 . 6742 1 260 . 1 1 25 25 ASN HD21 H 1 7.256 0.011 . . . . . . 25 ASN HD21 . 6742 1 261 . 1 1 25 25 ASN HD22 H 1 9.122 0.005 . . . . . . 25 ASN HD22 . 6742 1 262 . 1 1 25 25 ASN C C 13 178.149 0.002 . . . . . . 25 ASN C . 6742 1 263 . 1 1 25 25 ASN CA C 13 56.120 0.066 . . . . . . 25 ASN CA . 6742 1 264 . 1 1 25 25 ASN CB C 13 37.103 0.014 . . . . . . 25 ASN CB . 6742 1 265 . 1 1 25 25 ASN N N 15 120.099 0.069 . . . . . . 25 ASN N . 6742 1 266 . 1 1 25 25 ASN ND2 N 15 111.440 0.079 . . . . . . 25 ASN ND2 . 6742 1 267 . 1 1 26 26 ASN H H 1 9.047 0.009 . . . . . . 26 ASN HN . 6742 1 268 . 1 1 26 26 ASN HA H 1 4.895 0.009 . . . . . . 26 ASN HA . 6742 1 269 . 1 1 26 26 ASN HB2 H 1 3.337 0.010 . . . . . . 26 ASN HB2 . 6742 1 270 . 1 1 26 26 ASN HB3 H 1 2.881 0.014 . . . . . . 26 ASN HB3 . 6742 1 271 . 1 1 26 26 ASN C C 13 177.939 0.056 . . . . . . 26 ASN C . 6742 1 272 . 1 1 26 26 ASN CA C 13 56.358 0.018 . . . . . . 26 ASN CA . 6742 1 273 . 1 1 26 26 ASN CB C 13 36.966 0.098 . . . . . . 26 ASN CB . 6742 1 274 . 1 1 26 26 ASN N N 15 120.025 0.048 . . . . . . 26 ASN N . 6742 1 275 . 1 1 27 27 LEU H H 1 8.076 0.004 . . . . . . 27 LEU HN . 6742 1 276 . 1 1 27 27 LEU HA H 1 4.029 0.008 . . . . . . 27 LEU HA . 6742 1 277 . 1 1 27 27 LEU HB2 H 1 1.789 0.010 . . . . . . 27 LEU HB2 . 6742 1 278 . 1 1 27 27 LEU HB3 H 1 2.240 0.006 . . . . . . 27 LEU HB3 . 6742 1 279 . 1 1 27 27 LEU HG H 1 1.306 0.007 . . . . . . 27 LEU HG . 6742 1 280 . 1 1 27 27 LEU HD11 H 1 0.966 0.003 . . . . . . 27 LEU QD1 . 6742 1 281 . 1 1 27 27 LEU HD12 H 1 0.966 0.003 . . . . . . 27 LEU QD1 . 6742 1 282 . 1 1 27 27 LEU HD13 H 1 0.966 0.003 . . . . . . 27 LEU QD1 . 6742 1 283 . 1 1 27 27 LEU HD21 H 1 0.719 0.005 . . . . . . 27 LEU QD2 . 6742 1 284 . 1 1 27 27 LEU HD22 H 1 0.719 0.005 . . . . . . 27 LEU QD2 . 6742 1 285 . 1 1 27 27 LEU HD23 H 1 0.719 0.005 . . . . . . 27 LEU QD2 . 6742 1 286 . 1 1 27 27 LEU C C 13 176.457 0.035 . . . . . . 27 LEU C . 6742 1 287 . 1 1 27 27 LEU CA C 13 59.496 0.112 . . . . . . 27 LEU CA . 6742 1 288 . 1 1 27 27 LEU CB C 13 41.233 0.044 . . . . . . 27 LEU CB . 6742 1 289 . 1 1 27 27 LEU CG C 13 27.387 0.000 . . . . . . 27 LEU CG . 6742 1 290 . 1 1 27 27 LEU CD1 C 13 24.572 0.056 . . . . . . 27 LEU CD1 . 6742 1 291 . 1 1 27 27 LEU CD2 C 13 27.374 0.045 . . . . . . 27 LEU CD2 . 6742 1 292 . 1 1 27 27 LEU N N 15 121.100 0.000 . . . . . . 27 LEU N . 6742 1 293 . 1 1 28 28 LEU H H 1 7.890 0.007 . . . . . . 28 LEU HN . 6742 1 294 . 1 1 28 28 LEU HA H 1 3.815 0.005 . . . . . . 28 LEU HA . 6742 1 295 . 1 1 28 28 LEU HB2 H 1 1.477 0.004 . . . . . . 28 LEU HB2 . 6742 1 296 . 1 1 28 28 LEU HB3 H 1 0.868 0.009 . . . . . . 28 LEU HB3 . 6742 1 297 . 1 1 28 28 LEU HG H 1 1.358 0.004 . . . . . . 28 LEU HG . 6742 1 298 . 1 1 28 28 LEU HD11 H 1 -0.051 0.006 . . . . . . 28 LEU QD1 . 6742 1 299 . 1 1 28 28 LEU HD12 H 1 -0.051 0.006 . . . . . . 28 LEU QD1 . 6742 1 300 . 1 1 28 28 LEU HD13 H 1 -0.051 0.006 . . . . . . 28 LEU QD1 . 6742 1 301 . 1 1 28 28 LEU HD21 H 1 -0.272 0.007 . . . . . . 28 LEU QD2 . 6742 1 302 . 1 1 28 28 LEU HD22 H 1 -0.272 0.007 . . . . . . 28 LEU QD2 . 6742 1 303 . 1 1 28 28 LEU HD23 H 1 -0.272 0.007 . . . . . . 28 LEU QD2 . 6742 1 304 . 1 1 28 28 LEU C C 13 176.536 0.007 . . . . . . 28 LEU C . 6742 1 305 . 1 1 28 28 LEU CA C 13 55.948 0.055 . . . . . . 28 LEU CA . 6742 1 306 . 1 1 28 28 LEU CB C 13 42.176 0.096 . . . . . . 28 LEU CB . 6742 1 307 . 1 1 28 28 LEU CG C 13 27.085 0.041 . . . . . . 28 LEU CG . 6742 1 308 . 1 1 28 28 LEU CD1 C 13 21.429 0.038 . . . . . . 28 LEU CD1 . 6742 1 309 . 1 1 28 28 LEU CD2 C 13 24.489 0.073 . . . . . . 28 LEU CD2 . 6742 1 310 . 1 1 28 28 LEU N N 15 115.145 0.074 . . . . . . 28 LEU N . 6742 1 311 . 1 1 29 29 GLN H H 1 8.449 0.010 . . . . . . 29 GLN HN . 6742 1 312 . 1 1 29 29 GLN HA H 1 3.467 0.005 . . . . . . 29 GLN HA . 6742 1 313 . 1 1 29 29 GLN HB2 H 1 2.222 0.021 . . . . . . 29 GLN QB . 6742 1 314 . 1 1 29 29 GLN HB3 H 1 2.222 0.021 . . . . . . 29 GLN QB . 6742 1 315 . 1 1 29 29 GLN HG2 H 1 2.760 0.017 . . . . . . 29 GLN HG2 . 6742 1 316 . 1 1 29 29 GLN HG3 H 1 2.595 0.005 . . . . . . 29 GLN HG3 . 6742 1 317 . 1 1 29 29 GLN C C 13 173.655 0.007 . . . . . . 29 GLN C . 6742 1 318 . 1 1 29 29 GLN CA C 13 56.190 0.071 . . . . . . 29 GLN CA . 6742 1 319 . 1 1 29 29 GLN N N 15 116.285 0.064 . . . . . . 29 GLN N . 6742 1 320 . 1 1 30 30 GLY H H 1 7.580 0.007 . . . . . . 30 GLY HN . 6742 1 321 . 1 1 30 30 GLY HA2 H 1 2.962 0.004 . . . . . . 30 GLY HA1 . 6742 1 322 . 1 1 30 30 GLY HA3 H 1 2.589 0.002 . . . . . . 30 GLY HA2 . 6742 1 323 . 1 1 30 30 GLY C C 13 170.449 0.000 . . . . . . 30 GLY C . 6742 1 324 . 1 1 30 30 GLY CA C 13 45.710 0.131 . . . . . . 30 GLY CA . 6742 1 325 . 1 1 30 30 GLY N N 15 106.130 0.035 . . . . . . 30 GLY N . 6742 1 326 . 1 1 31 31 GLU H H 1 7.773 0.006 . . . . . . 31 GLU HN . 6742 1 327 . 1 1 31 31 GLU HA H 1 4.095 0.009 . . . . . . 31 GLU HA . 6742 1 328 . 1 1 31 31 GLU HB2 H 1 1.756 0.009 . . . . . . 31 GLU HB2 . 6742 1 329 . 1 1 31 31 GLU HB3 H 1 1.968 0.003 . . . . . . 31 GLU HB3 . 6742 1 330 . 1 1 31 31 GLU HG2 H 1 2.406 0.008 . . . . . . 31 GLU HG2 . 6742 1 331 . 1 1 31 31 GLU HG3 H 1 2.202 0.013 . . . . . . 31 GLU HG3 . 6742 1 332 . 1 1 31 31 GLU C C 13 175.426 0.000 . . . . . . 31 GLU C . 6742 1 333 . 1 1 31 31 GLU CA C 13 55.181 0.086 . . . . . . 31 GLU CA . 6742 1 334 . 1 1 31 31 GLU CB C 13 28.378 0.059 . . . . . . 31 GLU CB . 6742 1 335 . 1 1 31 31 GLU CG C 13 36.633 0.085 . . . . . . 31 GLU CG . 6742 1 336 . 1 1 31 31 GLU N N 15 118.926 0.058 . . . . . . 31 GLU N . 6742 1 337 . 1 1 32 32 TYR H H 1 7.634 0.007 . . . . . . 32 TYR HN . 6742 1 338 . 1 1 32 32 TYR HA H 1 4.385 0.005 . . . . . . 32 TYR HA . 6742 1 339 . 1 1 32 32 TYR HB2 H 1 2.262 0.009 . . . . . . 32 TYR HB2 . 6742 1 340 . 1 1 32 32 TYR HB3 H 1 2.635 0.006 . . . . . . 32 TYR HB3 . 6742 1 341 . 1 1 32 32 TYR HD1 H 1 6.764 0.007 . . . . . . 32 TYR QD . 6742 1 342 . 1 1 32 32 TYR HD2 H 1 6.764 0.007 . . . . . . 32 TYR QD . 6742 1 343 . 1 1 32 32 TYR HE1 H 1 6.344 0.008 . . . . . . 32 TYR QE . 6742 1 344 . 1 1 32 32 TYR HE2 H 1 6.344 0.008 . . . . . . 32 TYR QE . 6742 1 345 . 1 1 32 32 TYR C C 13 176.100 0.009 . . . . . . 32 TYR C . 6742 1 346 . 1 1 32 32 TYR CA C 13 59.870 0.065 . . . . . . 32 TYR CA . 6742 1 347 . 1 1 32 32 TYR CB C 13 41.597 0.027 . . . . . . 32 TYR CB . 6742 1 348 . 1 1 32 32 TYR CD1 C 13 133.309 0.032 . . . . . . 32 TYR CD1 . 6742 1 349 . 1 1 32 32 TYR CE1 C 13 117.092 0.052 . . . . . . 32 TYR CE1 . 6742 1 350 . 1 1 32 32 TYR N N 15 124.288 0.048 . . . . . . 32 TYR N . 6742 1 351 . 1 1 33 33 PHE H H 1 10.208 0.007 . . . . . . 33 PHE HN . 6742 1 352 . 1 1 33 33 PHE HA H 1 4.725 0.005 . . . . . . 33 PHE HA . 6742 1 353 . 1 1 33 33 PHE HB2 H 1 2.886 0.003 . . . . . . 33 PHE HB2 . 6742 1 354 . 1 1 33 33 PHE HB3 H 1 2.630 0.011 . . . . . . 33 PHE HB3 . 6742 1 355 . 1 1 33 33 PHE C C 13 174.509 0.000 . . . . . . 33 PHE C . 6742 1 356 . 1 1 33 33 PHE CA C 13 58.933 0.014 . . . . . . 33 PHE CA . 6742 1 357 . 1 1 33 33 PHE CB C 13 42.907 0.000 . . . . . . 33 PHE CB . 6742 1 358 . 1 1 33 33 PHE N N 15 119.023 0.061 . . . . . . 33 PHE N . 6742 1 359 . 1 1 33 33 PHE HD1 H 1 7.078 0.008 . . . . . . 33 PHE QR . 6742 1 360 . 1 1 33 33 PHE HD2 H 1 7.078 0.008 . . . . . . 33 PHE QR . 6742 1 361 . 1 1 34 34 SER H H 1 8.472 0.005 . . . . . . 34 SER HN . 6742 1 362 . 1 1 34 34 SER HA H 1 4.989 0.012 . . . . . . 34 SER HA . 6742 1 363 . 1 1 34 34 SER HB2 H 1 4.409 0.008 . . . . . . 34 SER HB2 . 6742 1 364 . 1 1 34 34 SER HB3 H 1 3.933 0.007 . . . . . . 34 SER HB3 . 6742 1 365 . 1 1 34 34 SER C C 13 172.671 0.000 . . . . . . 34 SER C . 6742 1 366 . 1 1 34 34 SER CA C 13 56.133 0.034 . . . . . . 34 SER CA . 6742 1 367 . 1 1 34 34 SER CB C 13 65.892 0.090 . . . . . . 34 SER CB . 6742 1 368 . 1 1 34 34 SER N N 15 119.653 0.089 . . . . . . 34 SER N . 6742 1 369 . 1 1 35 35 PRO HA H 1 4.139 0.010 . . . . . . 35 PRO HA . 6742 1 370 . 1 1 35 35 PRO HB2 H 1 2.515 0.008 . . . . . . 35 PRO HB2 . 6742 1 371 . 1 1 35 35 PRO HB3 H 1 2.091 0.012 . . . . . . 35 PRO HB3 . 6742 1 372 . 1 1 35 35 PRO HG2 H 1 2.291 0.009 . . . . . . 35 PRO HG2 . 6742 1 373 . 1 1 35 35 PRO HG3 H 1 1.924 0.009 . . . . . . 35 PRO HG3 . 6742 1 374 . 1 1 35 35 PRO HD2 H 1 3.982 0.000 . . . . . . 35 PRO HD2 . 6742 1 375 . 1 1 35 35 PRO HD3 H 1 3.923 0.001 . . . . . . 35 PRO HD3 . 6742 1 376 . 1 1 35 35 PRO C C 13 178.262 0.002 . . . . . . 35 PRO C . 6742 1 377 . 1 1 35 35 PRO CA C 13 65.950 0.052 . . . . . . 35 PRO CA . 6742 1 378 . 1 1 35 35 PRO CB C 13 32.307 0.054 . . . . . . 35 PRO CB . 6742 1 379 . 1 1 35 35 PRO CG C 13 28.884 0.084 . . . . . . 35 PRO CG . 6742 1 380 . 1 1 35 35 PRO CD C 13 51.054 0.043 . . . . . . 35 PRO CD . 6742 1 381 . 1 1 36 36 VAL H H 1 7.694 0.006 . . . . . . 36 VAL HN . 6742 1 382 . 1 1 36 36 VAL HA H 1 3.793 0.011 . . . . . . 36 VAL HA . 6742 1 383 . 1 1 36 36 VAL HB H 1 1.920 0.023 . . . . . . 36 VAL HB . 6742 1 384 . 1 1 36 36 VAL HG11 H 1 1.027 0.005 . . . . . . 36 VAL QG1 . 6742 1 385 . 1 1 36 36 VAL HG12 H 1 1.027 0.005 . . . . . . 36 VAL QG1 . 6742 1 386 . 1 1 36 36 VAL HG13 H 1 1.027 0.005 . . . . . . 36 VAL QG1 . 6742 1 387 . 1 1 36 36 VAL HG21 H 1 0.925 0.002 . . . . . . 36 VAL QG2 . 6742 1 388 . 1 1 36 36 VAL HG22 H 1 0.925 0.002 . . . . . . 36 VAL QG2 . 6742 1 389 . 1 1 36 36 VAL HG23 H 1 0.925 0.002 . . . . . . 36 VAL QG2 . 6742 1 390 . 1 1 36 36 VAL C C 13 178.465 0.008 . . . . . . 36 VAL C . 6742 1 391 . 1 1 36 36 VAL CA C 13 65.902 0.144 . . . . . . 36 VAL CA . 6742 1 392 . 1 1 36 36 VAL CB C 13 32.203 0.080 . . . . . . 36 VAL CB . 6742 1 393 . 1 1 36 36 VAL CG1 C 13 22.233 0.032 . . . . . . 36 VAL CG1 . 6742 1 394 . 1 1 36 36 VAL CG2 C 13 20.973 0.074 . . . . . . 36 VAL CG2 . 6742 1 395 . 1 1 36 36 VAL N N 15 117.313 0.066 . . . . . . 36 VAL N . 6742 1 396 . 1 1 37 37 GLU H H 1 7.927 0.006 . . . . . . 37 GLU HN . 6742 1 397 . 1 1 37 37 GLU HA H 1 4.184 0.006 . . . . . . 37 GLU HA . 6742 1 398 . 1 1 37 37 GLU HB2 H 1 2.523 0.015 . . . . . . 37 GLU HB2 . 6742 1 399 . 1 1 37 37 GLU HG2 H 1 2.581 0.003 . . . . . . 37 GLU HG2 . 6742 1 400 . 1 1 37 37 GLU HG3 H 1 2.324 0.005 . . . . . . 37 GLU HG3 . 6742 1 401 . 1 1 37 37 GLU C C 13 179.472 0.026 . . . . . . 37 GLU C . 6742 1 402 . 1 1 37 37 GLU CA C 13 60.619 0.102 . . . . . . 37 GLU CA . 6742 1 403 . 1 1 37 37 GLU CB C 13 33.990 0.000 . . . . . . 37 GLU CB . 6742 1 404 . 1 1 37 37 GLU CG C 13 37.311 0.032 . . . . . . 37 GLU CG . 6742 1 405 . 1 1 37 37 GLU N N 15 121.025 0.050 . . . . . . 37 GLU N . 6742 1 406 . 1 1 38 38 LEU H H 1 7.280 0.006 . . . . . . 38 LEU HN . 6742 1 407 . 1 1 38 38 LEU HA H 1 3.805 0.009 . . . . . . 38 LEU HA . 6742 1 408 . 1 1 38 38 LEU HB2 H 1 0.371 0.009 . . . . . . 38 LEU HB2 . 6742 1 409 . 1 1 38 38 LEU HB3 H 1 1.292 0.007 . . . . . . 38 LEU HB3 . 6742 1 410 . 1 1 38 38 LEU HG H 1 1.442 0.005 . . . . . . 38 LEU HG . 6742 1 411 . 1 1 38 38 LEU HD11 H 1 0.123 0.009 . . . . . . 38 LEU QD1 . 6742 1 412 . 1 1 38 38 LEU HD12 H 1 0.123 0.009 . . . . . . 38 LEU QD1 . 6742 1 413 . 1 1 38 38 LEU HD13 H 1 0.123 0.009 . . . . . . 38 LEU QD1 . 6742 1 414 . 1 1 38 38 LEU HD21 H 1 0.082 0.005 . . . . . . 38 LEU QD2 . 6742 1 415 . 1 1 38 38 LEU HD22 H 1 0.082 0.005 . . . . . . 38 LEU QD2 . 6742 1 416 . 1 1 38 38 LEU HD23 H 1 0.082 0.005 . . . . . . 38 LEU QD2 . 6742 1 417 . 1 1 38 38 LEU C C 13 178.100 0.003 . . . . . . 38 LEU C . 6742 1 418 . 1 1 38 38 LEU CA C 13 57.877 0.065 . . . . . . 38 LEU CA . 6742 1 419 . 1 1 38 38 LEU CB C 13 40.758 0.064 . . . . . . 38 LEU CB . 6742 1 420 . 1 1 38 38 LEU CG C 13 26.898 0.060 . . . . . . 38 LEU CG . 6742 1 421 . 1 1 38 38 LEU CD1 C 13 25.608 0.088 . . . . . . 38 LEU CD1 . 6742 1 422 . 1 1 38 38 LEU CD2 C 13 22.097 0.063 . . . . . . 38 LEU CD2 . 6742 1 423 . 1 1 38 38 LEU N N 15 116.885 0.064 . . . . . . 38 LEU N . 6742 1 424 . 1 1 39 39 SER H H 1 8.360 0.005 . . . . . . 39 SER HN . 6742 1 425 . 1 1 39 39 SER HA H 1 4.475 0.011 . . . . . . 39 SER HA . 6742 1 426 . 1 1 39 39 SER HB2 H 1 4.042 0.013 . . . . . . 39 SER HB2 . 6742 1 427 . 1 1 39 39 SER HB3 H 1 3.981 0.008 . . . . . . 39 SER HB3 . 6742 1 428 . 1 1 39 39 SER C C 13 176.787 0.016 . . . . . . 39 SER C . 6742 1 429 . 1 1 39 39 SER CA C 13 62.016 0.071 . . . . . . 39 SER CA . 6742 1 430 . 1 1 39 39 SER CB C 13 63.040 0.080 . . . . . . 39 SER CB . 6742 1 431 . 1 1 39 39 SER N N 15 114.904 0.027 . . . . . . 39 SER N . 6742 1 432 . 1 1 40 40 SER H H 1 8.009 0.003 . . . . . . 40 SER HN . 6742 1 433 . 1 1 40 40 SER HA H 1 4.333 0.009 . . . . . . 40 SER HA . 6742 1 434 . 1 1 40 40 SER HB2 H 1 4.074 0.011 . . . . . . 40 SER HB2 . 6742 1 435 . 1 1 40 40 SER HB3 H 1 4.096 0.001 . . . . . . 40 SER HB3 . 6742 1 436 . 1 1 40 40 SER C C 13 177.380 0.018 . . . . . . 40 SER C . 6742 1 437 . 1 1 40 40 SER CA C 13 62.338 0.173 . . . . . . 40 SER CA . 6742 1 438 . 1 1 40 40 SER CB C 13 62.756 0.156 . . . . . . 40 SER CB . 6742 1 439 . 1 1 40 40 SER N N 15 118.085 0.048 . . . . . . 40 SER N . 6742 1 440 . 1 1 41 41 ILE H H 1 7.709 0.005 . . . . . . 41 ILE HN . 6742 1 441 . 1 1 41 41 ILE HA H 1 3.780 0.015 . . . . . . 41 ILE HA . 6742 1 442 . 1 1 41 41 ILE HB H 1 1.914 0.016 . . . . . . 41 ILE HB . 6742 1 443 . 1 1 41 41 ILE HG12 H 1 1.958 0.009 . . . . . . 41 ILE HG12 . 6742 1 444 . 1 1 41 41 ILE HG21 H 1 1.006 0.007 . . . . . . 41 ILE QG2 . 6742 1 445 . 1 1 41 41 ILE HG22 H 1 1.006 0.007 . . . . . . 41 ILE QG2 . 6742 1 446 . 1 1 41 41 ILE HG23 H 1 1.006 0.007 . . . . . . 41 ILE QG2 . 6742 1 447 . 1 1 41 41 ILE HD11 H 1 0.843 0.009 . . . . . . 41 ILE QD1 . 6742 1 448 . 1 1 41 41 ILE HD12 H 1 0.843 0.009 . . . . . . 41 ILE QD1 . 6742 1 449 . 1 1 41 41 ILE HD13 H 1 0.843 0.009 . . . . . . 41 ILE QD1 . 6742 1 450 . 1 1 41 41 ILE C C 13 178.029 0.005 . . . . . . 41 ILE C . 6742 1 451 . 1 1 41 41 ILE CA C 13 65.629 0.079 . . . . . . 41 ILE CA . 6742 1 452 . 1 1 41 41 ILE CB C 13 38.698 0.005 . . . . . . 41 ILE CB . 6742 1 453 . 1 1 41 41 ILE CG1 C 13 28.924 0.000 . . . . . . 41 ILE CG1 . 6742 1 454 . 1 1 41 41 ILE CG2 C 13 18.865 0.070 . . . . . . 41 ILE CG2 . 6742 1 455 . 1 1 41 41 ILE CD1 C 13 13.597 0.066 . . . . . . 41 ILE CD1 . 6742 1 456 . 1 1 41 41 ILE N N 15 122.823 0.037 . . . . . . 41 ILE N . 6742 1 457 . 1 1 42 42 ALA H H 1 8.257 0.008 . . . . . . 42 ALA HN . 6742 1 458 . 1 1 42 42 ALA HA H 1 3.832 0.008 . . . . . . 42 ALA HA . 6742 1 459 . 1 1 42 42 ALA HB1 H 1 1.546 0.005 . . . . . . 42 ALA QB . 6742 1 460 . 1 1 42 42 ALA HB2 H 1 1.546 0.005 . . . . . . 42 ALA QB . 6742 1 461 . 1 1 42 42 ALA HB3 H 1 1.546 0.005 . . . . . . 42 ALA QB . 6742 1 462 . 1 1 42 42 ALA C C 13 178.795 0.001 . . . . . . 42 ALA C . 6742 1 463 . 1 1 42 42 ALA CA C 13 56.192 0.032 . . . . . . 42 ALA CA . 6742 1 464 . 1 1 42 42 ALA CB C 13 19.003 0.044 . . . . . . 42 ALA CB . 6742 1 465 . 1 1 42 42 ALA N N 15 121.423 0.034 . . . . . . 42 ALA N . 6742 1 466 . 1 1 43 43 HIS H H 1 8.585 0.008 . . . . . . 43 HIS HN . 6742 1 467 . 1 1 43 43 HIS HA H 1 4.511 0.006 . . . . . . 43 HIS HA . 6742 1 468 . 1 1 43 43 HIS HB2 H 1 3.392 0.009 . . . . . . 43 HIS QB . 6742 1 469 . 1 1 43 43 HIS HB3 H 1 3.392 0.009 . . . . . . 43 HIS QB . 6742 1 470 . 1 1 43 43 HIS HD2 H 1 7.368 0.009 . . . . . . 43 HIS HD2 . 6742 1 471 . 1 1 43 43 HIS HE1 H 1 8.486 0.003 . . . . . . 43 HIS HE1 . 6742 1 472 . 1 1 43 43 HIS C C 13 177.385 0.000 . . . . . . 43 HIS C . 6742 1 473 . 1 1 43 43 HIS CA C 13 59.068 0.048 . . . . . . 43 HIS CA . 6742 1 474 . 1 1 43 43 HIS CB C 13 28.856 0.101 . . . . . . 43 HIS CB . 6742 1 475 . 1 1 43 43 HIS CD2 C 13 119.959 0.017 . . . . . . 43 HIS CD2 . 6742 1 476 . 1 1 43 43 HIS CE1 C 13 136.718 0.020 . . . . . . 43 HIS CE1 . 6742 1 477 . 1 1 43 43 HIS N N 15 114.846 0.060 . . . . . . 43 HIS N . 6742 1 478 . 1 1 44 44 GLN H H 1 8.110 0.005 . . . . . . 44 GLN HN . 6742 1 479 . 1 1 44 44 GLN HA H 1 4.051 0.000 . . . . . . 44 GLN HA . 6742 1 480 . 1 1 44 44 GLN HB2 H 1 2.258 0.001 . . . . . . 44 GLN QB . 6742 1 481 . 1 1 44 44 GLN HB3 H 1 2.258 0.001 . . . . . . 44 GLN QB . 6742 1 482 . 1 1 44 44 GLN HG2 H 1 2.525 0.000 . . . . . . 44 GLN HG2 . 6742 1 483 . 1 1 44 44 GLN HG3 H 1 2.396 0.000 . . . . . . 44 GLN HG3 . 6742 1 484 . 1 1 44 44 GLN N N 15 120.859 0.054 . . . . . . 44 GLN N . 6742 1 485 . 1 1 45 45 LEU HA H 1 4.067 0.005 . . . . . . 45 LEU HA . 6742 1 486 . 1 1 45 45 LEU HB2 H 1 1.868 0.009 . . . . . . 45 LEU HB2 . 6742 1 487 . 1 1 45 45 LEU HB3 H 1 1.439 0.000 . . . . . . 45 LEU HB3 . 6742 1 488 . 1 1 45 45 LEU HG H 1 1.776 0.000 . . . . . . 45 LEU HG . 6742 1 489 . 1 1 45 45 LEU HD11 H 1 0.797 0.006 . . . . . . 45 LEU QD1 . 6742 1 490 . 1 1 45 45 LEU HD12 H 1 0.797 0.006 . . . . . . 45 LEU QD1 . 6742 1 491 . 1 1 45 45 LEU HD13 H 1 0.797 0.006 . . . . . . 45 LEU QD1 . 6742 1 492 . 1 1 45 45 LEU HD21 H 1 0.641 0.008 . . . . . . 45 LEU QD2 . 6742 1 493 . 1 1 45 45 LEU HD22 H 1 0.641 0.008 . . . . . . 45 LEU QD2 . 6742 1 494 . 1 1 45 45 LEU HD23 H 1 0.641 0.008 . . . . . . 45 LEU QD2 . 6742 1 495 . 1 1 45 45 LEU C C 13 180.095 0.002 . . . . . . 45 LEU C . 6742 1 496 . 1 1 45 45 LEU CA C 13 58.099 0.022 . . . . . . 45 LEU CA . 6742 1 497 . 1 1 45 45 LEU CB C 13 42.383 0.059 . . . . . . 45 LEU CB . 6742 1 498 . 1 1 45 45 LEU CG C 13 26.880 0.000 . . . . . . 45 LEU CG . 6742 1 499 . 1 1 45 45 LEU CD1 C 13 23.082 0.032 . . . . . . 45 LEU CD1 . 6742 1 500 . 1 1 45 45 LEU CD2 C 13 27.074 0.048 . . . . . . 45 LEU CD2 . 6742 1 501 . 1 1 46 46 ASP H H 1 8.456 0.005 . . . . . . 46 ASP HN . 6742 1 502 . 1 1 46 46 ASP HA H 1 4.468 0.005 . . . . . . 46 ASP HA . 6742 1 503 . 1 1 46 46 ASP HB2 H 1 2.969 0.013 . . . . . . 46 ASP HB2 . 6742 1 504 . 1 1 46 46 ASP HB3 H 1 2.766 0.006 . . . . . . 46 ASP HB3 . 6742 1 505 . 1 1 46 46 ASP C C 13 178.916 0.000 . . . . . . 46 ASP C . 6742 1 506 . 1 1 46 46 ASP CA C 13 57.713 0.040 . . . . . . 46 ASP CA . 6742 1 507 . 1 1 46 46 ASP CB C 13 40.510 0.090 . . . . . . 46 ASP CB . 6742 1 508 . 1 1 46 46 ASP N N 15 121.245 0.063 . . . . . . 46 ASP N . 6742 1 509 . 1 1 47 47 GLU H H 1 8.182 0.007 . . . . . . 47 GLU HN . 6742 1 510 . 1 1 47 47 GLU HA H 1 4.115 0.009 . . . . . . 47 GLU HA . 6742 1 511 . 1 1 47 47 GLU C C 13 178.625 0.000 . . . . . . 47 GLU C . 6742 1 512 . 1 1 47 47 GLU CA C 13 59.300 0.000 . . . . . . 47 GLU CA . 6742 1 513 . 1 1 47 47 GLU N N 15 121.392 0.084 . . . . . . 47 GLU N . 6742 1 514 . 1 1 49 49 GLU C C 13 178.667 0.000 . . . . . . 49 GLU C . 6742 1 515 . 1 1 49 49 GLU CA C 13 59.317 0.044 . . . . . . 49 GLU CA . 6742 1 516 . 1 1 49 49 GLU CB C 13 29.547 0.024 . . . . . . 49 GLU CB . 6742 1 517 . 1 1 49 49 GLU CG C 13 33.985 0.000 . . . . . . 49 GLU CG . 6742 1 518 . 1 1 50 50 ARG H H 1 8.209 0.006 . . . . . . 50 ARG HN . 6742 1 519 . 1 1 50 50 ARG HA H 1 3.919 0.011 . . . . . . 50 ARG HA . 6742 1 520 . 1 1 50 50 ARG HB2 H 1 2.014 0.006 . . . . . . 50 ARG QB . 6742 1 521 . 1 1 50 50 ARG HB3 H 1 2.014 0.006 . . . . . . 50 ARG QB . 6742 1 522 . 1 1 50 50 ARG HG2 H 1 1.677 0.000 . . . . . . 50 ARG HG2 . 6742 1 523 . 1 1 50 50 ARG HG3 H 1 1.792 0.000 . . . . . . 50 ARG HG3 . 6742 1 524 . 1 1 50 50 ARG HD2 H 1 3.212 0.000 . . . . . . 50 ARG QD . 6742 1 525 . 1 1 50 50 ARG HD3 H 1 3.212 0.000 . . . . . . 50 ARG QD . 6742 1 526 . 1 1 50 50 ARG HE H 1 7.774 0.002 . . . . . . 50 ARG HE . 6742 1 527 . 1 1 50 50 ARG C C 13 179.148 0.004 . . . . . . 50 ARG C . 6742 1 528 . 1 1 50 50 ARG CA C 13 60.082 0.066 . . . . . . 50 ARG CA . 6742 1 529 . 1 1 50 50 ARG N N 15 120.334 0.083 . . . . . . 50 ARG N . 6742 1 530 . 1 1 50 50 ARG NE N 15 118.335 0.000 . . . . . . 50 ARG NE . 6742 1 531 . 1 1 51 51 MET H H 1 8.211 0.006 . . . . . . 51 MET HN . 6742 1 532 . 1 1 51 51 MET HA H 1 4.191 0.005 . . . . . . 51 MET HA . 6742 1 533 . 1 1 51 51 MET HB2 H 1 2.149 0.015 . . . . . . 51 MET HB2 . 6742 1 534 . 1 1 51 51 MET HB3 H 1 2.206 0.002 . . . . . . 51 MET HB3 . 6742 1 535 . 1 1 51 51 MET HG2 H 1 2.741 0.004 . . . . . . 51 MET HG2 . 6742 1 536 . 1 1 51 51 MET HG3 H 1 2.572 0.009 . . . . . . 51 MET HG3 . 6742 1 537 . 1 1 51 51 MET HE1 H 1 2.077 0.000 . . . . . . 51 MET QE . 6742 1 538 . 1 1 51 51 MET HE2 H 1 2.077 0.000 . . . . . . 51 MET QE . 6742 1 539 . 1 1 51 51 MET HE3 H 1 2.077 0.000 . . . . . . 51 MET QE . 6742 1 540 . 1 1 51 51 MET C C 13 178.500 0.036 . . . . . . 51 MET C . 6742 1 541 . 1 1 51 51 MET CA C 13 58.503 0.053 . . . . . . 51 MET CA . 6742 1 542 . 1 1 51 51 MET CB C 13 32.556 0.033 . . . . . . 51 MET CB . 6742 1 543 . 1 1 51 51 MET CG C 13 32.559 0.042 . . . . . . 51 MET CG . 6742 1 544 . 1 1 51 51 MET CE C 13 17.121 0.008 . . . . . . 51 MET CE . 6742 1 545 . 1 1 51 51 MET N N 15 117.920 0.054 . . . . . . 51 MET N . 6742 1 546 . 1 1 52 52 ARG H H 1 7.869 0.005 . . . . . . 52 ARG HN . 6742 1 547 . 1 1 52 52 ARG HA H 1 4.131 0.008 . . . . . . 52 ARG HA . 6742 1 548 . 1 1 52 52 ARG HB2 H 1 1.943 0.006 . . . . . . 52 ARG QB . 6742 1 549 . 1 1 52 52 ARG HB3 H 1 1.943 0.006 . . . . . . 52 ARG QB . 6742 1 550 . 1 1 52 52 ARG HG2 H 1 1.769 0.004 . . . . . . 52 ARG HG2 . 6742 1 551 . 1 1 52 52 ARG HG3 H 1 1.598 0.011 . . . . . . 52 ARG HG3 . 6742 1 552 . 1 1 52 52 ARG HD2 H 1 3.214 0.010 . . . . . . 52 ARG QD . 6742 1 553 . 1 1 52 52 ARG HD3 H 1 3.214 0.010 . . . . . . 52 ARG QD . 6742 1 554 . 1 1 52 52 ARG HE H 1 7.547 0.002 . . . . . . 52 ARG HE . 6742 1 555 . 1 1 52 52 ARG C C 13 179.210 0.008 . . . . . . 52 ARG C . 6742 1 556 . 1 1 52 52 ARG CA C 13 59.212 0.067 . . . . . . 52 ARG CA . 6742 1 557 . 1 1 52 52 ARG CB C 13 30.538 0.079 . . . . . . 52 ARG CB . 6742 1 558 . 1 1 52 52 ARG CG C 13 27.956 0.080 . . . . . . 52 ARG CG . 6742 1 559 . 1 1 52 52 ARG CD C 13 43.697 0.030 . . . . . . 52 ARG CD . 6742 1 560 . 1 1 52 52 ARG N N 15 119.995 0.043 . . . . . . 52 ARG N . 6742 1 561 . 1 1 52 52 ARG NE N 15 118.637 0.052 . . . . . . 52 ARG NE . 6742 1 562 . 1 1 53 53 MET H H 1 8.054 0.006 . . . . . . 53 MET HN . 6742 1 563 . 1 1 53 53 MET HA H 1 4.257 0.012 . . . . . . 53 MET HA . 6742 1 564 . 1 1 53 53 MET HB2 H 1 1.974 0.009 . . . . . . 53 MET HB2 . 6742 1 565 . 1 1 53 53 MET HB3 H 1 2.062 0.000 . . . . . . 53 MET HB3 . 6742 1 566 . 1 1 53 53 MET HG2 H 1 2.417 0.006 . . . . . . 53 MET HG2 . 6742 1 567 . 1 1 53 53 MET HG3 H 1 2.325 0.009 . . . . . . 53 MET HG3 . 6742 1 568 . 1 1 53 53 MET HE1 H 1 1.960 0.001 . . . . . . 53 MET QE . 6742 1 569 . 1 1 53 53 MET HE2 H 1 1.960 0.001 . . . . . . 53 MET QE . 6742 1 570 . 1 1 53 53 MET HE3 H 1 1.960 0.001 . . . . . . 53 MET QE . 6742 1 571 . 1 1 53 53 MET C C 13 177.657 0.026 . . . . . . 53 MET C . 6742 1 572 . 1 1 53 53 MET CA C 13 57.191 0.058 . . . . . . 53 MET CA . 6742 1 573 . 1 1 53 53 MET CB C 13 32.303 0.069 . . . . . . 53 MET CB . 6742 1 574 . 1 1 53 53 MET CG C 13 32.249 0.003 . . . . . . 53 MET CG . 6742 1 575 . 1 1 53 53 MET CE C 13 17.117 0.040 . . . . . . 53 MET CE . 6742 1 576 . 1 1 53 53 MET N N 15 118.483 0.031 . . . . . . 53 MET N . 6742 1 577 . 1 1 54 54 ALA H H 1 8.016 0.007 . . . . . . 54 ALA HN . 6742 1 578 . 1 1 54 54 ALA HA H 1 3.996 0.009 . . . . . . 54 ALA HA . 6742 1 579 . 1 1 54 54 ALA HB1 H 1 1.405 0.003 . . . . . . 54 ALA QB . 6742 1 580 . 1 1 54 54 ALA HB2 H 1 1.405 0.003 . . . . . . 54 ALA QB . 6742 1 581 . 1 1 54 54 ALA HB3 H 1 1.405 0.003 . . . . . . 54 ALA QB . 6742 1 582 . 1 1 54 54 ALA C C 13 179.038 0.000 . . . . . . 54 ALA C . 6742 1 583 . 1 1 54 54 ALA CA C 13 53.830 0.053 . . . . . . 54 ALA CA . 6742 1 584 . 1 1 54 54 ALA CB C 13 18.775 0.069 . . . . . . 54 ALA CB . 6742 1 585 . 1 1 54 54 ALA N N 15 122.304 0.052 . . . . . . 54 ALA N . 6742 1 586 . 1 1 55 55 GLU H H 1 7.861 0.008 . . . . . . 55 GLU HN . 6742 1 587 . 1 1 55 55 GLU HA H 1 4.162 0.011 . . . . . . 55 GLU HA . 6742 1 588 . 1 1 55 55 GLU HB2 H 1 2.079 0.013 . . . . . . 55 GLU QB . 6742 1 589 . 1 1 55 55 GLU HB3 H 1 2.079 0.013 . . . . . . 55 GLU QB . 6742 1 590 . 1 1 55 55 GLU HG2 H 1 2.419 0.009 . . . . . . 55 GLU HG2 . 6742 1 591 . 1 1 55 55 GLU HG3 H 1 2.280 0.015 . . . . . . 55 GLU HG3 . 6742 1 592 . 1 1 55 55 GLU C C 13 177.594 0.005 . . . . . . 55 GLU C . 6742 1 593 . 1 1 55 55 GLU CA C 13 58.056 0.038 . . . . . . 55 GLU CA . 6742 1 594 . 1 1 55 55 GLU CB C 13 29.994 0.131 . . . . . . 55 GLU CB . 6742 1 595 . 1 1 55 55 GLU CG C 13 36.500 0.056 . . . . . . 55 GLU CG . 6742 1 596 . 1 1 55 55 GLU N N 15 119.011 0.045 . . . . . . 55 GLU N . 6742 1 597 . 1 1 56 56 GLY H H 1 8.010 0.004 . . . . . . 56 GLY HN . 6742 1 598 . 1 1 56 56 GLY HA2 H 1 3.939 0.004 . . . . . . 56 GLY HA1 . 6742 1 599 . 1 1 56 56 GLY C C 13 174.689 0.000 . . . . . . 56 GLY C . 6742 1 600 . 1 1 56 56 GLY CA C 13 45.719 0.060 . . . . . . 56 GLY CA . 6742 1 601 . 1 1 56 56 GLY N N 15 107.297 0.082 . . . . . . 56 GLY N . 6742 1 602 . 1 1 57 57 GLY H H 1 7.999 0.003 . . . . . . 57 GLY HN . 6742 1 603 . 1 1 57 57 GLY HA2 H 1 4.123 0.007 . . . . . . 57 GLY HA1 . 6742 1 604 . 1 1 57 57 GLY HA3 H 1 3.910 0.005 . . . . . . 57 GLY HA2 . 6742 1 605 . 1 1 57 57 GLY C C 13 174.477 0.000 . . . . . . 57 GLY C . 6742 1 606 . 1 1 57 57 GLY CA C 13 45.500 0.079 . . . . . . 57 GLY CA . 6742 1 607 . 1 1 57 57 GLY N N 15 108.678 0.058 . . . . . . 57 GLY N . 6742 1 608 . 1 1 58 58 VAL H H 1 8.046 0.008 . . . . . . 58 VAL HN . 6742 1 609 . 1 1 58 58 VAL HA H 1 4.109 0.008 . . . . . . 58 VAL HA . 6742 1 610 . 1 1 58 58 VAL HB H 1 2.123 0.011 . . . . . . 58 VAL HB . 6742 1 611 . 1 1 58 58 VAL HG11 H 1 0.864 0.009 . . . . . . 58 VAL QG1 . 6742 1 612 . 1 1 58 58 VAL HG12 H 1 0.864 0.009 . . . . . . 58 VAL QG1 . 6742 1 613 . 1 1 58 58 VAL HG13 H 1 0.864 0.009 . . . . . . 58 VAL QG1 . 6742 1 614 . 1 1 58 58 VAL HG21 H 1 0.917 0.004 . . . . . . 58 VAL QG2 . 6742 1 615 . 1 1 58 58 VAL HG22 H 1 0.917 0.004 . . . . . . 58 VAL QG2 . 6742 1 616 . 1 1 58 58 VAL HG23 H 1 0.917 0.004 . . . . . . 58 VAL QG2 . 6742 1 617 . 1 1 58 58 VAL C C 13 176.369 0.005 . . . . . . 58 VAL C . 6742 1 618 . 1 1 58 58 VAL CA C 13 62.566 0.062 . . . . . . 58 VAL CA . 6742 1 619 . 1 1 58 58 VAL CB C 13 32.670 0.061 . . . . . . 58 VAL CB . 6742 1 620 . 1 1 58 58 VAL CG1 C 13 21.433 0.031 . . . . . . 58 VAL CG1 . 6742 1 621 . 1 1 58 58 VAL CG2 C 13 20.187 0.068 . . . . . . 58 VAL CG2 . 6742 1 622 . 1 1 58 58 VAL N N 15 118.706 0.085 . . . . . . 58 VAL N . 6742 1 623 . 1 1 59 59 THR H H 1 8.258 0.007 . . . . . . 59 THR HN . 6742 1 624 . 1 1 59 59 THR HA H 1 4.441 0.010 . . . . . . 59 THR HA . 6742 1 625 . 1 1 59 59 THR HB H 1 4.422 0.003 . . . . . . 59 THR HB . 6742 1 626 . 1 1 59 59 THR HG21 H 1 1.217 0.009 . . . . . . 59 THR QG2 . 6742 1 627 . 1 1 59 59 THR HG22 H 1 1.217 0.009 . . . . . . 59 THR QG2 . 6742 1 628 . 1 1 59 59 THR HG23 H 1 1.217 0.009 . . . . . . 59 THR QG2 . 6742 1 629 . 1 1 59 59 THR C C 13 174.848 0.001 . . . . . . 59 THR C . 6742 1 630 . 1 1 59 59 THR CA C 13 61.669 0.097 . . . . . . 59 THR CA . 6742 1 631 . 1 1 59 59 THR CB C 13 70.098 0.037 . . . . . . 59 THR CB . 6742 1 632 . 1 1 59 59 THR CG2 C 13 21.947 0.075 . . . . . . 59 THR CG2 . 6742 1 633 . 1 1 59 59 THR N N 15 114.884 0.070 . . . . . . 59 THR N . 6742 1 634 . 1 1 60 60 SER H H 1 8.215 0.005 . . . . . . 60 SER HN . 6742 1 635 . 1 1 60 60 SER HA H 1 4.421 0.014 . . . . . . 60 SER HA . 6742 1 636 . 1 1 60 60 SER HB2 H 1 3.935 0.016 . . . . . . 60 SER HB2 . 6742 1 637 . 1 1 60 60 SER HB3 H 1 3.867 0.008 . . . . . . 60 SER HB3 . 6742 1 638 . 1 1 60 60 SER C C 13 175.338 0.022 . . . . . . 60 SER C . 6742 1 639 . 1 1 60 60 SER CA C 13 59.153 0.071 . . . . . . 60 SER CA . 6742 1 640 . 1 1 60 60 SER CB C 13 64.077 0.110 . . . . . . 60 SER CB . 6742 1 641 . 1 1 60 60 SER N N 15 117.806 0.045 . . . . . . 60 SER N . 6742 1 642 . 1 1 61 61 GLU H H 1 8.703 0.007 . . . . . . 61 GLU HN . 6742 1 643 . 1 1 61 61 GLU HA H 1 4.161 0.014 . . . . . . 61 GLU HA . 6742 1 644 . 1 1 61 61 GLU HB2 H 1 2.032 0.018 . . . . . . 61 GLU QB . 6742 1 645 . 1 1 61 61 GLU HB3 H 1 2.032 0.018 . . . . . . 61 GLU QB . 6742 1 646 . 1 1 61 61 GLU HG2 H 1 2.277 0.011 . . . . . . 61 GLU QG . 6742 1 647 . 1 1 61 61 GLU HG3 H 1 2.277 0.011 . . . . . . 61 GLU QG . 6742 1 648 . 1 1 61 61 GLU C C 13 177.407 0.006 . . . . . . 61 GLU C . 6742 1 649 . 1 1 61 61 GLU CA C 13 58.488 0.042 . . . . . . 61 GLU CA . 6742 1 650 . 1 1 61 61 GLU CB C 13 29.926 0.131 . . . . . . 61 GLU CB . 6742 1 651 . 1 1 61 61 GLU CG C 13 36.522 0.064 . . . . . . 61 GLU CG . 6742 1 652 . 1 1 61 61 GLU N N 15 122.854 0.080 . . . . . . 61 GLU N . 6742 1 653 . 1 1 62 62 ASP H H 1 8.240 0.007 . . . . . . 62 ASP HN . 6742 1 654 . 1 1 62 62 ASP HA H 1 4.470 0.013 . . . . . . 62 ASP HA . 6742 1 655 . 1 1 62 62 ASP HB2 H 1 2.639 0.006 . . . . . . 62 ASP QB . 6742 1 656 . 1 1 62 62 ASP HB3 H 1 2.639 0.006 . . . . . . 62 ASP QB . 6742 1 657 . 1 1 62 62 ASP C C 13 177.425 0.004 . . . . . . 62 ASP C . 6742 1 658 . 1 1 62 62 ASP CA C 13 55.933 0.057 . . . . . . 62 ASP CA . 6742 1 659 . 1 1 62 62 ASP CB C 13 40.957 0.060 . . . . . . 62 ASP CB . 6742 1 660 . 1 1 62 62 ASP N N 15 119.758 0.057 . . . . . . 62 ASP N . 6742 1 661 . 1 1 63 63 TYR H H 1 8.067 0.008 . . . . . . 63 TYR HN . 6742 1 662 . 1 1 63 63 TYR HA H 1 4.315 0.008 . . . . . . 63 TYR HA . 6742 1 663 . 1 1 63 63 TYR HB2 H 1 3.045 0.007 . . . . . . 63 TYR QB . 6742 1 664 . 1 1 63 63 TYR HB3 H 1 3.045 0.007 . . . . . . 63 TYR QB . 6742 1 665 . 1 1 63 63 TYR HD1 H 1 7.053 0.008 . . . . . . 63 TYR QD . 6742 1 666 . 1 1 63 63 TYR HD2 H 1 7.053 0.008 . . . . . . 63 TYR QD . 6742 1 667 . 1 1 63 63 TYR HE1 H 1 6.827 0.006 . . . . . . 63 TYR QE . 6742 1 668 . 1 1 63 63 TYR HE2 H 1 6.827 0.006 . . . . . . 63 TYR QE . 6742 1 669 . 1 1 63 63 TYR C C 13 176.302 0.010 . . . . . . 63 TYR C . 6742 1 670 . 1 1 63 63 TYR CA C 13 60.224 0.071 . . . . . . 63 TYR CA . 6742 1 671 . 1 1 63 63 TYR CB C 13 38.533 0.075 . . . . . . 63 TYR CB . 6742 1 672 . 1 1 63 63 TYR CD1 C 13 133.050 0.022 . . . . . . 63 TYR CD1 . 6742 1 673 . 1 1 63 63 TYR CE1 C 13 118.208 0.015 . . . . . . 63 TYR CE1 . 6742 1 674 . 1 1 63 63 TYR N N 15 121.548 0.043 . . . . . . 63 TYR N . 6742 1 675 . 1 1 64 64 ARG H H 1 8.008 0.015 . . . . . . 64 ARG HN . 6742 1 676 . 1 1 64 64 ARG HA H 1 3.992 0.009 . . . . . . 64 ARG HA . 6742 1 677 . 1 1 64 64 ARG HB2 H 1 1.823 0.009 . . . . . . 64 ARG QB . 6742 1 678 . 1 1 64 64 ARG HB3 H 1 1.823 0.009 . . . . . . 64 ARG QB . 6742 1 679 . 1 1 64 64 ARG HG2 H 1 1.563 0.009 . . . . . . 64 ARG HG2 . 6742 1 680 . 1 1 64 64 ARG HG3 H 1 1.608 0.002 . . . . . . 64 ARG HG3 . 6742 1 681 . 1 1 64 64 ARG HD2 H 1 3.168 0.008 . . . . . . 64 ARG QD . 6742 1 682 . 1 1 64 64 ARG HD3 H 1 3.168 0.008 . . . . . . 64 ARG QD . 6742 1 683 . 1 1 64 64 ARG C C 13 178.056 0.002 . . . . . . 64 ARG C . 6742 1 684 . 1 1 64 64 ARG CA C 13 58.581 0.055 . . . . . . 64 ARG CA . 6742 1 685 . 1 1 64 64 ARG CB C 13 30.513 0.082 . . . . . . 64 ARG CB . 6742 1 686 . 1 1 64 64 ARG CG C 13 27.621 0.091 . . . . . . 64 ARG CG . 6742 1 687 . 1 1 64 64 ARG CD C 13 43.649 0.009 . . . . . . 64 ARG CD . 6742 1 688 . 1 1 64 64 ARG N N 15 119.511 0.077 . . . . . . 64 ARG N . 6742 1 689 . 1 1 65 65 THR H H 1 8.075 0.008 . . . . . . 65 THR HN . 6742 1 690 . 1 1 65 65 THR HA H 1 4.040 0.010 . . . . . . 65 THR HA . 6742 1 691 . 1 1 65 65 THR HB H 1 4.171 0.005 . . . . . . 65 THR HB . 6742 1 692 . 1 1 65 65 THR HG21 H 1 1.146 0.004 . . . . . . 65 THR QG2 . 6742 1 693 . 1 1 65 65 THR HG22 H 1 1.146 0.004 . . . . . . 65 THR QG2 . 6742 1 694 . 1 1 65 65 THR HG23 H 1 1.146 0.004 . . . . . . 65 THR QG2 . 6742 1 695 . 1 1 65 65 THR C C 13 175.587 0.008 . . . . . . 65 THR C . 6742 1 696 . 1 1 65 65 THR CA C 13 64.523 0.089 . . . . . . 65 THR CA . 6742 1 697 . 1 1 65 65 THR CB C 13 69.482 0.131 . . . . . . 65 THR CB . 6742 1 698 . 1 1 65 65 THR CG2 C 13 21.958 0.051 . . . . . . 65 THR CG2 . 6742 1 699 . 1 1 65 65 THR N N 15 114.094 0.030 . . . . . . 65 THR N . 6742 1 700 . 1 1 66 66 PHE H H 1 7.929 0.006 . . . . . . 66 PHE HN . 6742 1 701 . 1 1 66 66 PHE HA H 1 4.424 0.004 . . . . . . 66 PHE HA . 6742 1 702 . 1 1 66 66 PHE HB2 H 1 3.198 0.004 . . . . . . 66 PHE HB2 . 6742 1 703 . 1 1 66 66 PHE HB3 H 1 3.113 0.008 . . . . . . 66 PHE HB3 . 6742 1 704 . 1 1 66 66 PHE HD1 H 1 7.164 0.003 . . . . . . 66 PHE QD . 6742 1 705 . 1 1 66 66 PHE HD2 H 1 7.164 0.003 . . . . . . 66 PHE QD . 6742 1 706 . 1 1 66 66 PHE HE1 H 1 7.299 0.003 . . . . . . 66 PHE QE . 6742 1 707 . 1 1 66 66 PHE HE2 H 1 7.299 0.003 . . . . . . 66 PHE QE . 6742 1 708 . 1 1 66 66 PHE HZ H 1 7.278 0.001 . . . . . . 66 PHE HZ . 6742 1 709 . 1 1 66 66 PHE C C 13 176.651 0.011 . . . . . . 66 PHE C . 6742 1 710 . 1 1 66 66 PHE CA C 13 59.681 0.066 . . . . . . 66 PHE CA . 6742 1 711 . 1 1 66 66 PHE CB C 13 39.356 0.061 . . . . . . 66 PHE CB . 6742 1 712 . 1 1 66 66 PHE CD1 C 13 131.714 0.040 . . . . . . 66 PHE CD1 . 6742 1 713 . 1 1 66 66 PHE CE1 C 13 131.630 0.050 . . . . . . 66 PHE CE1 . 6742 1 714 . 1 1 66 66 PHE CZ C 13 129.858 0.008 . . . . . . 66 PHE CZ . 6742 1 715 . 1 1 66 66 PHE N N 15 122.656 0.049 . . . . . . 66 PHE N . 6742 1 716 . 1 1 67 67 LEU H H 1 7.933 0.004 . . . . . . 67 LEU HN . 6742 1 717 . 1 1 67 67 LEU HA H 1 4.018 0.009 . . . . . . 67 LEU HA . 6742 1 718 . 1 1 67 67 LEU HB2 H 1 1.635 0.010 . . . . . . 67 LEU HB2 . 6742 1 719 . 1 1 67 67 LEU HB3 H 1 1.475 0.008 . . . . . . 67 LEU HB3 . 6742 1 720 . 1 1 67 67 LEU HG H 1 1.480 0.008 . . . . . . 67 LEU HG . 6742 1 721 . 1 1 67 67 LEU HD11 H 1 0.822 0.003 . . . . . . 67 LEU QD1 . 6742 1 722 . 1 1 67 67 LEU HD12 H 1 0.822 0.003 . . . . . . 67 LEU QD1 . 6742 1 723 . 1 1 67 67 LEU HD13 H 1 0.822 0.003 . . . . . . 67 LEU QD1 . 6742 1 724 . 1 1 67 67 LEU HD21 H 1 0.809 0.004 . . . . . . 67 LEU QD2 . 6742 1 725 . 1 1 67 67 LEU HD22 H 1 0.809 0.004 . . . . . . 67 LEU QD2 . 6742 1 726 . 1 1 67 67 LEU HD23 H 1 0.809 0.004 . . . . . . 67 LEU QD2 . 6742 1 727 . 1 1 67 67 LEU C C 13 177.396 0.005 . . . . . . 67 LEU C . 6742 1 728 . 1 1 67 67 LEU CA C 13 56.129 0.053 . . . . . . 67 LEU CA . 6742 1 729 . 1 1 67 67 LEU CB C 13 42.531 0.051 . . . . . . 67 LEU CB . 6742 1 730 . 1 1 67 67 LEU CG C 13 26.902 0.021 . . . . . . 67 LEU CG . 6742 1 731 . 1 1 67 67 LEU CD1 C 13 25.487 0.030 . . . . . . 67 LEU CD1 . 6742 1 732 . 1 1 67 67 LEU CD2 C 13 23.217 0.046 . . . . . . 67 LEU CD2 . 6742 1 733 . 1 1 67 67 LEU N N 15 120.410 0.042 . . . . . . 67 LEU N . 6742 1 734 . 1 1 68 68 GLN H H 1 7.748 0.006 . . . . . . 68 GLN HN . 6742 1 735 . 1 1 68 68 GLN HA H 1 4.232 0.008 . . . . . . 68 GLN HA . 6742 1 736 . 1 1 68 68 GLN HB2 H 1 2.115 0.027 . . . . . . 68 GLN HB2 . 6742 1 737 . 1 1 68 68 GLN HB3 H 1 1.992 0.014 . . . . . . 68 GLN HB3 . 6742 1 738 . 1 1 68 68 GLN HG2 H 1 2.341 0.013 . . . . . . 68 GLN QG . 6742 1 739 . 1 1 68 68 GLN HG3 H 1 2.341 0.013 . . . . . . 68 GLN QG . 6742 1 740 . 1 1 68 68 GLN HE21 H 1 7.463 0.003 . . . . . . 68 GLN HE21 . 6742 1 741 . 1 1 68 68 GLN HE22 H 1 6.825 0.001 . . . . . . 68 GLN HE22 . 6742 1 742 . 1 1 68 68 GLN C C 13 175.752 0.018 . . . . . . 68 GLN C . 6742 1 743 . 1 1 68 68 GLN CA C 13 56.012 0.022 . . . . . . 68 GLN CA . 6742 1 744 . 1 1 68 68 GLN CB C 13 29.547 0.148 . . . . . . 68 GLN CB . 6742 1 745 . 1 1 68 68 GLN CG C 13 34.071 0.042 . . . . . . 68 GLN CG . 6742 1 746 . 1 1 68 68 GLN N N 15 117.547 0.059 . . . . . . 68 GLN N . 6742 1 747 . 1 1 68 68 GLN NE2 N 15 112.000 0.000 . . . . . . 68 GLN NE2 . 6742 1 748 . 1 1 69 69 GLN H H 1 7.878 0.008 . . . . . . 69 GLN HN . 6742 1 749 . 1 1 69 69 GLN HA H 1 4.534 0.009 . . . . . . 69 GLN HA . 6742 1 750 . 1 1 69 69 GLN HB2 H 1 2.064 0.008 . . . . . . 69 GLN HB2 . 6742 1 751 . 1 1 69 69 GLN HB3 H 1 1.904 0.010 . . . . . . 69 GLN HB3 . 6742 1 752 . 1 1 69 69 GLN HG2 H 1 2.398 0.009 . . . . . . 69 GLN QG . 6742 1 753 . 1 1 69 69 GLN HG3 H 1 2.398 0.009 . . . . . . 69 GLN QG . 6742 1 754 . 1 1 69 69 GLN HE21 H 1 6.873 0.002 . . . . . . 69 GLN HE21 . 6742 1 755 . 1 1 69 69 GLN HE22 H 1 7.437 0.001 . . . . . . 69 GLN HE22 . 6742 1 756 . 1 1 69 69 GLN C C 13 173.999 0.000 . . . . . . 69 GLN C . 6742 1 757 . 1 1 69 69 GLN CA C 13 53.927 0.067 . . . . . . 69 GLN CA . 6742 1 758 . 1 1 69 69 GLN CB C 13 28.737 0.075 . . . . . . 69 GLN CB . 6742 1 759 . 1 1 69 69 GLN CG C 13 33.731 0.037 . . . . . . 69 GLN CG . 6742 1 760 . 1 1 69 69 GLN N N 15 121.028 0.042 . . . . . . 69 GLN N . 6742 1 761 . 1 1 69 69 GLN NE2 N 15 112.362 0.053 . . . . . . 69 GLN NE2 . 6742 1 762 . 1 1 70 70 PRO HA H 1 4.399 0.010 . . . . . . 70 PRO HA . 6742 1 763 . 1 1 70 70 PRO HB2 H 1 2.278 0.007 . . . . . . 70 PRO HB2 . 6742 1 764 . 1 1 70 70 PRO HB3 H 1 1.930 0.003 . . . . . . 70 PRO HB3 . 6742 1 765 . 1 1 70 70 PRO HG2 H 1 1.991 0.006 . . . . . . 70 PRO QG . 6742 1 766 . 1 1 70 70 PRO HG3 H 1 1.991 0.006 . . . . . . 70 PRO QG . 6742 1 767 . 1 1 70 70 PRO HD2 H 1 3.719 0.013 . . . . . . 70 PRO HD2 . 6742 1 768 . 1 1 70 70 PRO HD3 H 1 3.591 0.007 . . . . . . 70 PRO HD3 . 6742 1 769 . 1 1 70 70 PRO C C 13 176.589 0.002 . . . . . . 70 PRO C . 6742 1 770 . 1 1 70 70 PRO CA C 13 63.369 0.146 . . . . . . 70 PRO CA . 6742 1 771 . 1 1 70 70 PRO CB C 13 32.410 0.072 . . . . . . 70 PRO CB . 6742 1 772 . 1 1 70 70 PRO CG C 13 27.619 0.036 . . . . . . 70 PRO CG . 6742 1 773 . 1 1 70 70 PRO CD C 13 50.782 0.245 . . . . . . 70 PRO CD . 6742 1 774 . 1 1 71 71 SER H H 1 8.403 0.005 . . . . . . 71 SER HN . 6742 1 775 . 1 1 71 71 SER HA H 1 4.308 0.006 . . . . . . 71 SER HA . 6742 1 776 . 1 1 71 71 SER HB2 H 1 3.947 0.007 . . . . . . 71 SER QB . 6742 1 777 . 1 1 71 71 SER HB3 H 1 3.947 0.007 . . . . . . 71 SER QB . 6742 1 778 . 1 1 71 71 SER C C 13 175.781 0.007 . . . . . . 71 SER C . 6742 1 779 . 1 1 71 71 SER CA C 13 58.908 0.073 . . . . . . 71 SER CA . 6742 1 780 . 1 1 71 71 SER CB C 13 64.167 0.075 . . . . . . 71 SER CB . 6742 1 781 . 1 1 71 71 SER N N 15 115.383 0.059 . . . . . . 71 SER N . 6742 1 782 . 1 1 72 72 GLY H H 1 8.715 0.008 . . . . . . 72 GLY HN . 6742 1 783 . 1 1 72 72 GLY HA2 H 1 4.176 0.014 . . . . . . 72 GLY HA1 . 6742 1 784 . 1 1 72 72 GLY HA3 H 1 3.954 0.003 . . . . . . 72 GLY HA2 . 6742 1 785 . 1 1 72 72 GLY C C 13 174.319 0.000 . . . . . . 72 GLY C . 6742 1 786 . 1 1 72 72 GLY CA C 13 45.490 0.059 . . . . . . 72 GLY CA . 6742 1 787 . 1 1 72 72 GLY N N 15 112.374 0.054 . . . . . . 72 GLY N . 6742 1 788 . 1 1 73 73 ASN H H 1 9.029 0.010 . . . . . . 73 ASN HN . 6742 1 789 . 1 1 73 73 ASN HA H 1 4.887 0.003 . . . . . . 73 ASN HA . 6742 1 790 . 1 1 73 73 ASN HB2 H 1 2.652 0.013 . . . . . . 73 ASN QB . 6742 1 791 . 1 1 73 73 ASN HB3 H 1 2.652 0.013 . . . . . . 73 ASN QB . 6742 1 792 . 1 1 73 73 ASN HD21 H 1 8.267 0.002 . . . . . . 73 ASN HD21 . 6742 1 793 . 1 1 73 73 ASN HD22 H 1 7.295 0.008 . . . . . . 73 ASN HD22 . 6742 1 794 . 1 1 73 73 ASN C C 13 173.822 0.010 . . . . . . 73 ASN C . 6742 1 795 . 1 1 73 73 ASN CA C 13 55.006 0.052 . . . . . . 73 ASN CA . 6742 1 796 . 1 1 73 73 ASN CB C 13 40.968 0.057 . . . . . . 73 ASN CB . 6742 1 797 . 1 1 73 73 ASN N N 15 118.454 0.076 . . . . . . 73 ASN N . 6742 1 798 . 1 1 73 73 ASN ND2 N 15 117.397 0.053 . . . . . . 73 ASN ND2 . 6742 1 799 . 1 1 74 74 MET H H 1 8.036 0.007 . . . . . . 74 MET HN . 6742 1 800 . 1 1 74 74 MET HA H 1 4.850 0.018 . . . . . . 74 MET HA . 6742 1 801 . 1 1 74 74 MET HB2 H 1 1.917 0.014 . . . . . . 74 MET HB2 . 6742 1 802 . 1 1 74 74 MET HB3 H 1 1.849 0.006 . . . . . . 74 MET HB3 . 6742 1 803 . 1 1 74 74 MET HG2 H 1 2.362 0.008 . . . . . . 74 MET HG2 . 6742 1 804 . 1 1 74 74 MET HG3 H 1 2.226 0.008 . . . . . . 74 MET HG3 . 6742 1 805 . 1 1 74 74 MET HE1 H 1 2.029 0.002 . . . . . . 74 MET QE . 6742 1 806 . 1 1 74 74 MET HE2 H 1 2.029 0.002 . . . . . . 74 MET QE . 6742 1 807 . 1 1 74 74 MET HE3 H 1 2.029 0.002 . . . . . . 74 MET QE . 6742 1 808 . 1 1 74 74 MET C C 13 174.666 0.014 . . . . . . 74 MET C . 6742 1 809 . 1 1 74 74 MET CA C 13 55.879 0.092 . . . . . . 74 MET CA . 6742 1 810 . 1 1 74 74 MET CB C 13 35.126 0.105 . . . . . . 74 MET CB . 6742 1 811 . 1 1 74 74 MET CG C 13 31.142 0.058 . . . . . . 74 MET CG . 6742 1 812 . 1 1 74 74 MET CE C 13 17.305 0.041 . . . . . . 74 MET CE . 6742 1 813 . 1 1 74 74 MET N N 15 117.159 0.054 . . . . . . 74 MET N . 6742 1 814 . 1 1 75 75 ASP H H 1 7.969 0.005 . . . . . . 75 ASP HN . 6742 1 815 . 1 1 75 75 ASP HA H 1 4.752 0.018 . . . . . . 75 ASP HA . 6742 1 816 . 1 1 75 75 ASP HB2 H 1 3.031 0.009 . . . . . . 75 ASP HB2 . 6742 1 817 . 1 1 75 75 ASP HB3 H 1 2.731 0.005 . . . . . . 75 ASP HB3 . 6742 1 818 . 1 1 75 75 ASP C C 13 176.315 0.023 . . . . . . 75 ASP C . 6742 1 819 . 1 1 75 75 ASP CA C 13 53.962 0.077 . . . . . . 75 ASP CA . 6742 1 820 . 1 1 75 75 ASP CB C 13 42.872 0.199 . . . . . . 75 ASP CB . 6742 1 821 . 1 1 75 75 ASP N N 15 119.582 0.060 . . . . . . 75 ASP N . 6742 1 822 . 1 1 76 76 ASP H H 1 8.302 0.005 . . . . . . 76 ASP HN . 6742 1 823 . 1 1 76 76 ASP HA H 1 4.591 0.008 . . . . . . 76 ASP HA . 6742 1 824 . 1 1 76 76 ASP HB2 H 1 2.726 0.016 . . . . . . 76 ASP HB2 . 6742 1 825 . 1 1 76 76 ASP HB3 H 1 2.787 0.002 . . . . . . 76 ASP HB3 . 6742 1 826 . 1 1 76 76 ASP C C 13 177.000 0.008 . . . . . . 76 ASP C . 6742 1 827 . 1 1 76 76 ASP CA C 13 55.546 0.037 . . . . . . 76 ASP CA . 6742 1 828 . 1 1 76 76 ASP CB C 13 40.939 0.087 . . . . . . 76 ASP CB . 6742 1 829 . 1 1 76 76 ASP N N 15 118.121 0.099 . . . . . . 76 ASP N . 6742 1 830 . 1 1 77 77 SER H H 1 8.625 0.008 . . . . . . 77 SER HN . 6742 1 831 . 1 1 77 77 SER HA H 1 4.475 0.004 . . . . . . 77 SER HA . 6742 1 832 . 1 1 77 77 SER HB2 H 1 3.907 0.008 . . . . . . 77 SER QB . 6742 1 833 . 1 1 77 77 SER HB3 H 1 3.907 0.008 . . . . . . 77 SER QB . 6742 1 834 . 1 1 77 77 SER C C 13 174.563 0.012 . . . . . . 77 SER C . 6742 1 835 . 1 1 77 77 SER CA C 13 59.358 0.070 . . . . . . 77 SER CA . 6742 1 836 . 1 1 77 77 SER CB C 13 64.419 0.074 . . . . . . 77 SER CB . 6742 1 837 . 1 1 77 77 SER N N 15 116.293 0.060 . . . . . . 77 SER N . 6742 1 838 . 1 1 78 78 GLY H H 1 7.889 0.010 . . . . . . 78 GLY HN . 6742 1 839 . 1 1 78 78 GLY HA2 H 1 3.678 0.003 . . . . . . 78 GLY HA1 . 6742 1 840 . 1 1 78 78 GLY HA3 H 1 4.347 0.002 . . . . . . 78 GLY HA2 . 6742 1 841 . 1 1 78 78 GLY C C 13 173.583 0.000 . . . . . . 78 GLY C . 6742 1 842 . 1 1 78 78 GLY CA C 13 45.431 0.055 . . . . . . 78 GLY CA . 6742 1 843 . 1 1 78 78 GLY N N 15 108.561 0.063 . . . . . . 78 GLY N . 6742 1 844 . 1 1 79 79 PHE H H 1 7.916 0.005 . . . . . . 79 PHE HN . 6742 1 845 . 1 1 79 79 PHE HA H 1 4.503 0.008 . . . . . . 79 PHE HA . 6742 1 846 . 1 1 79 79 PHE HB2 H 1 3.022 0.009 . . . . . . 79 PHE HB2 . 6742 1 847 . 1 1 79 79 PHE HB3 H 1 2.739 0.011 . . . . . . 79 PHE HB3 . 6742 1 848 . 1 1 79 79 PHE HD1 H 1 6.899 0.007 . . . . . . 79 PHE QD . 6742 1 849 . 1 1 79 79 PHE HD2 H 1 6.899 0.007 . . . . . . 79 PHE QD . 6742 1 850 . 1 1 79 79 PHE HE1 H 1 7.221 0.002 . . . . . . 79 PHE QE . 6742 1 851 . 1 1 79 79 PHE HE2 H 1 7.221 0.002 . . . . . . 79 PHE QE . 6742 1 852 . 1 1 79 79 PHE C C 13 174.638 0.000 . . . . . . 79 PHE C . 6742 1 853 . 1 1 79 79 PHE CA C 13 58.975 0.023 . . . . . . 79 PHE CA . 6742 1 854 . 1 1 79 79 PHE CB C 13 39.705 0.085 . . . . . . 79 PHE CB . 6742 1 855 . 1 1 79 79 PHE CD1 C 13 131.589 0.034 . . . . . . 79 PHE CD1 . 6742 1 856 . 1 1 79 79 PHE CE1 C 13 131.602 0.039 . . . . . . 79 PHE CE1 . 6742 1 857 . 1 1 79 79 PHE N N 15 121.294 0.017 . . . . . . 79 PHE N . 6742 1 858 . 1 1 80 80 PHE H H 1 7.625 0.005 . . . . . . 80 PHE HN . 6742 1 859 . 1 1 80 80 PHE HB2 H 1 2.707 0.020 . . . . . . 80 PHE HB2 . 6742 1 860 . 1 1 80 80 PHE HB3 H 1 2.363 0.013 . . . . . . 80 PHE HB3 . 6742 1 861 . 1 1 80 80 PHE HD1 H 1 7.141 0.004 . . . . . . 80 PHE QD . 6742 1 862 . 1 1 80 80 PHE HD2 H 1 7.141 0.004 . . . . . . 80 PHE QD . 6742 1 863 . 1 1 80 80 PHE HE1 H 1 7.178 0.012 . . . . . . 80 PHE QE . 6742 1 864 . 1 1 80 80 PHE HE2 H 1 7.178 0.012 . . . . . . 80 PHE QE . 6742 1 865 . 1 1 80 80 PHE HZ H 1 7.224 0.008 . . . . . . 80 PHE HZ . 6742 1 866 . 1 1 80 80 PHE C C 13 174.464 0.000 . . . . . . 80 PHE C . 6742 1 867 . 1 1 80 80 PHE CA C 13 57.654 0.036 . . . . . . 80 PHE CA . 6742 1 868 . 1 1 80 80 PHE CZ C 13 129.390 0.021 . . . . . . 80 PHE CZ . 6742 1 869 . 1 1 80 80 PHE N N 15 122.504 0.069 . . . . . . 80 PHE N . 6742 1 870 . 1 1 81 81 SER H H 1 7.913 0.006 . . . . . . 81 SER HN . 6742 1 871 . 1 1 81 81 SER HA H 1 4.457 0.009 . . . . . . 81 SER HA . 6742 1 872 . 1 1 81 81 SER HB2 H 1 4.270 0.000 . . . . . . 81 SER HB2 . 6742 1 873 . 1 1 81 81 SER HB3 H 1 4.613 0.000 . . . . . . 81 SER HB3 . 6742 1 874 . 1 1 81 81 SER C C 13 175.352 0.000 . . . . . . 81 SER C . 6742 1 875 . 1 1 81 81 SER CA C 13 57.556 0.107 . . . . . . 81 SER CA . 6742 1 876 . 1 1 81 81 SER CB C 13 66.360 0.000 . . . . . . 81 SER CB . 6742 1 877 . 1 1 81 81 SER N N 15 115.490 0.074 . . . . . . 81 SER N . 6742 1 878 . 1 1 82 82 ILE H H 1 8.985 0.008 . . . . . . 82 ILE HN . 6742 1 879 . 1 1 82 82 ILE HA H 1 3.868 0.015 . . . . . . 82 ILE HA . 6742 1 880 . 1 1 82 82 ILE HB H 1 1.996 0.005 . . . . . . 82 ILE HB . 6742 1 881 . 1 1 82 82 ILE HG12 H 1 1.423 0.008 . . . . . . 82 ILE HG12 . 6742 1 882 . 1 1 82 82 ILE HG13 H 1 1.273 0.007 . . . . . . 82 ILE HG13 . 6742 1 883 . 1 1 82 82 ILE HG21 H 1 0.962 0.005 . . . . . . 82 ILE QG2 . 6742 1 884 . 1 1 82 82 ILE HG22 H 1 0.962 0.005 . . . . . . 82 ILE QG2 . 6742 1 885 . 1 1 82 82 ILE HG23 H 1 0.962 0.005 . . . . . . 82 ILE QG2 . 6742 1 886 . 1 1 82 82 ILE HD11 H 1 0.670 0.006 . . . . . . 82 ILE QD1 . 6742 1 887 . 1 1 82 82 ILE HD12 H 1 0.670 0.006 . . . . . . 82 ILE QD1 . 6742 1 888 . 1 1 82 82 ILE HD13 H 1 0.670 0.006 . . . . . . 82 ILE QD1 . 6742 1 889 . 1 1 82 82 ILE C C 13 176.974 0.004 . . . . . . 82 ILE C . 6742 1 890 . 1 1 82 82 ILE CA C 13 63.065 0.087 . . . . . . 82 ILE CA . 6742 1 891 . 1 1 82 82 ILE CB C 13 38.155 0.069 . . . . . . 82 ILE CB . 6742 1 892 . 1 1 82 82 ILE CG1 C 13 29.636 0.105 . . . . . . 82 ILE CG1 . 6742 1 893 . 1 1 82 82 ILE CG2 C 13 18.074 0.076 . . . . . . 82 ILE CG2 . 6742 1 894 . 1 1 82 82 ILE CD1 C 13 14.361 0.049 . . . . . . 82 ILE CD1 . 6742 1 895 . 1 1 82 82 ILE N N 15 119.248 0.076 . . . . . . 82 ILE N . 6742 1 896 . 1 1 83 83 GLN H H 1 8.077 0.006 . . . . . . 83 GLN HN . 6742 1 897 . 1 1 83 83 GLN HA H 1 3.974 0.009 . . . . . . 83 GLN HA . 6742 1 898 . 1 1 83 83 GLN HB2 H 1 1.933 0.007 . . . . . . 83 GLN HB2 . 6742 1 899 . 1 1 83 83 GLN HB3 H 1 2.074 0.008 . . . . . . 83 GLN HB3 . 6742 1 900 . 1 1 83 83 GLN HG2 H 1 2.489 0.006 . . . . . . 83 GLN HG2 . 6742 1 901 . 1 1 83 83 GLN HG3 H 1 2.406 0.010 . . . . . . 83 GLN HG3 . 6742 1 902 . 1 1 83 83 GLN HE21 H 1 6.940 0.004 . . . . . . 83 GLN HE21 . 6742 1 903 . 1 1 83 83 GLN HE22 H 1 7.522 0.002 . . . . . . 83 GLN HE22 . 6742 1 904 . 1 1 83 83 GLN C C 13 178.605 0.025 . . . . . . 83 GLN C . 6742 1 905 . 1 1 83 83 GLN CA C 13 59.724 0.114 . . . . . . 83 GLN CA . 6742 1 906 . 1 1 83 83 GLN CB C 13 28.217 0.168 . . . . . . 83 GLN CB . 6742 1 907 . 1 1 83 83 GLN CG C 13 34.976 0.282 . . . . . . 83 GLN CG . 6742 1 908 . 1 1 83 83 GLN N N 15 120.514 0.025 . . . . . . 83 GLN N . 6742 1 909 . 1 1 83 83 GLN NE2 N 15 112.400 0.000 . . . . . . 83 GLN NE2 . 6742 1 910 . 1 1 84 84 VAL H H 1 7.497 0.006 . . . . . . 84 VAL HN . 6742 1 911 . 1 1 84 84 VAL HA H 1 3.356 0.006 . . . . . . 84 VAL HA . 6742 1 912 . 1 1 84 84 VAL HB H 1 2.302 0.011 . . . . . . 84 VAL HB . 6742 1 913 . 1 1 84 84 VAL HG11 H 1 1.125 0.005 . . . . . . 84 VAL QG1 . 6742 1 914 . 1 1 84 84 VAL HG12 H 1 1.125 0.005 . . . . . . 84 VAL QG1 . 6742 1 915 . 1 1 84 84 VAL HG13 H 1 1.125 0.005 . . . . . . 84 VAL QG1 . 6742 1 916 . 1 1 84 84 VAL HG21 H 1 0.635 0.006 . . . . . . 84 VAL QG2 . 6742 1 917 . 1 1 84 84 VAL HG22 H 1 0.635 0.006 . . . . . . 84 VAL QG2 . 6742 1 918 . 1 1 84 84 VAL HG23 H 1 0.635 0.006 . . . . . . 84 VAL QG2 . 6742 1 919 . 1 1 84 84 VAL C C 13 176.589 0.004 . . . . . . 84 VAL C . 6742 1 920 . 1 1 84 84 VAL CA C 13 66.451 0.064 . . . . . . 84 VAL CA . 6742 1 921 . 1 1 84 84 VAL CB C 13 31.502 0.042 . . . . . . 84 VAL CB . 6742 1 922 . 1 1 84 84 VAL CG1 C 13 23.823 0.064 . . . . . . 84 VAL CG1 . 6742 1 923 . 1 1 84 84 VAL CG2 C 13 21.288 0.056 . . . . . . 84 VAL CG2 . 6742 1 924 . 1 1 84 84 VAL N N 15 121.116 0.064 . . . . . . 84 VAL N . 6742 1 925 . 1 1 85 85 ILE H H 1 7.060 0.007 . . . . . . 85 ILE HN . 6742 1 926 . 1 1 85 85 ILE HA H 1 2.989 0.009 . . . . . . 85 ILE HA . 6742 1 927 . 1 1 85 85 ILE HB H 1 1.318 0.010 . . . . . . 85 ILE HB . 6742 1 928 . 1 1 85 85 ILE HG12 H 1 0.327 0.011 . . . . . . 85 ILE HG12 . 6742 1 929 . 1 1 85 85 ILE HG13 H 1 -0.281 0.012 . . . . . . 85 ILE HG13 . 6742 1 930 . 1 1 85 85 ILE HG21 H 1 0.152 0.011 . . . . . . 85 ILE QG2 . 6742 1 931 . 1 1 85 85 ILE HG22 H 1 0.152 0.011 . . . . . . 85 ILE QG2 . 6742 1 932 . 1 1 85 85 ILE HG23 H 1 0.152 0.011 . . . . . . 85 ILE QG2 . 6742 1 933 . 1 1 85 85 ILE HD11 H 1 -0.447 0.005 . . . . . . 85 ILE QD1 . 6742 1 934 . 1 1 85 85 ILE HD12 H 1 -0.447 0.005 . . . . . . 85 ILE QD1 . 6742 1 935 . 1 1 85 85 ILE HD13 H 1 -0.447 0.005 . . . . . . 85 ILE QD1 . 6742 1 936 . 1 1 85 85 ILE C C 13 177.493 0.006 . . . . . . 85 ILE C . 6742 1 937 . 1 1 85 85 ILE CA C 13 63.495 0.077 . . . . . . 85 ILE CA . 6742 1 938 . 1 1 85 85 ILE CB C 13 36.096 0.064 . . . . . . 85 ILE CB . 6742 1 939 . 1 1 85 85 ILE CG1 C 13 27.940 0.082 . . . . . . 85 ILE CG1 . 6742 1 940 . 1 1 85 85 ILE CG2 C 13 17.444 0.052 . . . . . . 85 ILE CG2 . 6742 1 941 . 1 1 85 85 ILE CD1 C 13 9.490 0.030 . . . . . . 85 ILE CD1 . 6742 1 942 . 1 1 85 85 ILE N N 15 119.307 0.043 . . . . . . 85 ILE N . 6742 1 943 . 1 1 86 86 SER H H 1 8.721 0.008 . . . . . . 86 SER HN . 6742 1 944 . 1 1 86 86 SER HA H 1 3.845 0.014 . . . . . . 86 SER HA . 6742 1 945 . 1 1 86 86 SER HB2 H 1 3.806 0.011 . . . . . . 86 SER QB . 6742 1 946 . 1 1 86 86 SER HB3 H 1 3.806 0.011 . . . . . . 86 SER QB . 6742 1 947 . 1 1 86 86 SER C C 13 177.804 0.000 . . . . . . 86 SER C . 6742 1 948 . 1 1 86 86 SER CA C 13 62.162 0.123 . . . . . . 86 SER CA . 6742 1 949 . 1 1 86 86 SER CB C 13 62.896 0.050 . . . . . . 86 SER CB . 6742 1 950 . 1 1 86 86 SER N N 15 113.235 0.067 . . . . . . 86 SER N . 6742 1 951 . 1 1 87 87 ASN H H 1 8.037 0.008 . . . . . . 87 ASN HN . 6742 1 952 . 1 1 87 87 ASN HA H 1 4.312 0.008 . . . . . . 87 ASN HA . 6742 1 953 . 1 1 87 87 ASN HB2 H 1 2.874 0.009 . . . . . . 87 ASN HB2 . 6742 1 954 . 1 1 87 87 ASN HB3 H 1 2.625 0.007 . . . . . . 87 ASN HB3 . 6742 1 955 . 1 1 87 87 ASN HD21 H 1 7.470 0.007 . . . . . . 87 ASN HD21 . 6742 1 956 . 1 1 87 87 ASN HD22 H 1 7.206 0.004 . . . . . . 87 ASN HD22 . 6742 1 957 . 1 1 87 87 ASN C C 13 177.641 0.000 . . . . . . 87 ASN C . 6742 1 958 . 1 1 87 87 ASN CA C 13 57.033 0.062 . . . . . . 87 ASN CA . 6742 1 959 . 1 1 87 87 ASN CB C 13 38.514 0.065 . . . . . . 87 ASN CB . 6742 1 960 . 1 1 87 87 ASN N N 15 121.454 0.047 . . . . . . 87 ASN N . 6742 1 961 . 1 1 87 87 ASN ND2 N 15 111.796 0.043 . . . . . . 87 ASN ND2 . 6742 1 962 . 1 1 88 88 ALA H H 1 8.359 0.008 . . . . . . 88 ALA HN . 6742 1 963 . 1 1 88 88 ALA HA H 1 4.072 0.008 . . . . . . 88 ALA HA . 6742 1 964 . 1 1 88 88 ALA HB1 H 1 1.017 0.006 . . . . . . 88 ALA QB . 6742 1 965 . 1 1 88 88 ALA HB2 H 1 1.017 0.006 . . . . . . 88 ALA QB . 6742 1 966 . 1 1 88 88 ALA HB3 H 1 1.017 0.006 . . . . . . 88 ALA QB . 6742 1 967 . 1 1 88 88 ALA C C 13 179.174 0.003 . . . . . . 88 ALA C . 6742 1 968 . 1 1 88 88 ALA CA C 13 55.358 0.068 . . . . . . 88 ALA CA . 6742 1 969 . 1 1 88 88 ALA CB C 13 18.078 0.050 . . . . . . 88 ALA CB . 6742 1 970 . 1 1 88 88 ALA N N 15 123.822 0.060 . . . . . . 88 ALA N . 6742 1 971 . 1 1 89 89 LEU H H 1 7.614 0.006 . . . . . . 89 LEU HN . 6742 1 972 . 1 1 89 89 LEU HA H 1 4.260 0.006 . . . . . . 89 LEU HA . 6742 1 973 . 1 1 89 89 LEU HB2 H 1 1.682 0.004 . . . . . . 89 LEU HB2 . 6742 1 974 . 1 1 89 89 LEU HB3 H 1 1.451 0.007 . . . . . . 89 LEU HB3 . 6742 1 975 . 1 1 89 89 LEU HG H 1 1.591 0.005 . . . . . . 89 LEU HG . 6742 1 976 . 1 1 89 89 LEU HD11 H 1 0.463 0.005 . . . . . . 89 LEU QD1 . 6742 1 977 . 1 1 89 89 LEU HD12 H 1 0.463 0.005 . . . . . . 89 LEU QD1 . 6742 1 978 . 1 1 89 89 LEU HD13 H 1 0.463 0.005 . . . . . . 89 LEU QD1 . 6742 1 979 . 1 1 89 89 LEU HD21 H 1 0.576 0.004 . . . . . . 89 LEU QD2 . 6742 1 980 . 1 1 89 89 LEU HD22 H 1 0.576 0.004 . . . . . . 89 LEU QD2 . 6742 1 981 . 1 1 89 89 LEU HD23 H 1 0.576 0.004 . . . . . . 89 LEU QD2 . 6742 1 982 . 1 1 89 89 LEU C C 13 179.517 0.024 . . . . . . 89 LEU C . 6742 1 983 . 1 1 89 89 LEU CA C 13 56.682 0.060 . . . . . . 89 LEU CA . 6742 1 984 . 1 1 89 89 LEU CB C 13 41.658 0.187 . . . . . . 89 LEU CB . 6742 1 985 . 1 1 89 89 LEU CG C 13 26.431 0.025 . . . . . . 89 LEU CG . 6742 1 986 . 1 1 89 89 LEU CD1 C 13 26.410 0.034 . . . . . . 89 LEU CD1 . 6742 1 987 . 1 1 89 89 LEU CD2 C 13 22.879 0.047 . . . . . . 89 LEU CD2 . 6742 1 988 . 1 1 89 89 LEU N N 15 113.147 0.056 . . . . . . 89 LEU N . 6742 1 989 . 1 1 90 90 LYS H H 1 7.955 0.006 . . . . . . 90 LYS HN . 6742 1 990 . 1 1 90 90 LYS HA H 1 4.219 0.008 . . . . . . 90 LYS HA . 6742 1 991 . 1 1 90 90 LYS HB2 H 1 2.064 0.005 . . . . . . 90 LYS HB2 . 6742 1 992 . 1 1 90 90 LYS HB3 H 1 1.971 0.009 . . . . . . 90 LYS HB3 . 6742 1 993 . 1 1 90 90 LYS HG2 H 1 1.619 0.007 . . . . . . 90 LYS HG2 . 6742 1 994 . 1 1 90 90 LYS HG3 H 1 1.529 0.006 . . . . . . 90 LYS HG3 . 6742 1 995 . 1 1 90 90 LYS HD2 H 1 1.692 0.004 . . . . . . 90 LYS QD . 6742 1 996 . 1 1 90 90 LYS HD3 H 1 1.692 0.004 . . . . . . 90 LYS QD . 6742 1 997 . 1 1 90 90 LYS HE2 H 1 2.951 0.016 . . . . . . 90 LYS QE . 6742 1 998 . 1 1 90 90 LYS HE3 H 1 2.951 0.016 . . . . . . 90 LYS QE . 6742 1 999 . 1 1 90 90 LYS C C 13 180.490 0.013 . . . . . . 90 LYS C . 6742 1 1000 . 1 1 90 90 LYS CA C 13 59.979 0.074 . . . . . . 90 LYS CA . 6742 1 1001 . 1 1 90 90 LYS CB C 13 32.398 0.089 . . . . . . 90 LYS CB . 6742 1 1002 . 1 1 90 90 LYS CG C 13 25.218 0.037 . . . . . . 90 LYS CG . 6742 1 1003 . 1 1 90 90 LYS CD C 13 29.476 0.112 . . . . . . 90 LYS CD . 6742 1 1004 . 1 1 90 90 LYS CE C 13 42.363 0.034 . . . . . . 90 LYS CE . 6742 1 1005 . 1 1 90 90 LYS N N 15 122.496 0.024 . . . . . . 90 LYS N . 6742 1 1006 . 1 1 91 91 VAL H H 1 7.301 0.005 . . . . . . 91 VAL HN . 6742 1 1007 . 1 1 91 91 VAL HA H 1 3.743 0.014 . . . . . . 91 VAL HA . 6742 1 1008 . 1 1 91 91 VAL HB H 1 2.210 0.008 . . . . . . 91 VAL HB . 6742 1 1009 . 1 1 91 91 VAL HG11 H 1 1.005 0.007 . . . . . . 91 VAL QG1 . 6742 1 1010 . 1 1 91 91 VAL HG12 H 1 1.005 0.007 . . . . . . 91 VAL QG1 . 6742 1 1011 . 1 1 91 91 VAL HG13 H 1 1.005 0.007 . . . . . . 91 VAL QG1 . 6742 1 1012 . 1 1 91 91 VAL HG21 H 1 0.605 0.005 . . . . . . 91 VAL QG2 . 6742 1 1013 . 1 1 91 91 VAL HG22 H 1 0.605 0.005 . . . . . . 91 VAL QG2 . 6742 1 1014 . 1 1 91 91 VAL HG23 H 1 0.605 0.005 . . . . . . 91 VAL QG2 . 6742 1 1015 . 1 1 91 91 VAL C C 13 176.483 0.032 . . . . . . 91 VAL C . 6742 1 1016 . 1 1 91 91 VAL CA C 13 65.213 0.055 . . . . . . 91 VAL CA . 6742 1 1017 . 1 1 91 91 VAL CB C 13 31.914 0.053 . . . . . . 91 VAL CB . 6742 1 1018 . 1 1 91 91 VAL CG1 C 13 22.019 0.056 . . . . . . 91 VAL CG1 . 6742 1 1019 . 1 1 91 91 VAL CG2 C 13 20.912 0.096 . . . . . . 91 VAL CG2 . 6742 1 1020 . 1 1 91 91 VAL N N 15 117.826 0.086 . . . . . . 91 VAL N . 6742 1 1021 . 1 1 92 92 TRP H H 1 7.275 0.006 . . . . . . 92 TRP HN . 6742 1 1022 . 1 1 92 92 TRP HA H 1 4.244 0.005 . . . . . . 92 TRP HA . 6742 1 1023 . 1 1 92 92 TRP HB2 H 1 3.628 0.011 . . . . . . 92 TRP HB2 . 6742 1 1024 . 1 1 92 92 TRP HB3 H 1 2.931 0.012 . . . . . . 92 TRP HB3 . 6742 1 1025 . 1 1 92 92 TRP HD1 H 1 7.388 0.010 . . . . . . 92 TRP HD1 . 6742 1 1026 . 1 1 92 92 TRP HE1 H 1 9.669 0.005 . . . . . . 92 TRP HE1 . 6742 1 1027 . 1 1 92 92 TRP HE3 H 1 7.572 0.010 . . . . . . 92 TRP HE3 . 6742 1 1028 . 1 1 92 92 TRP HZ2 H 1 6.795 0.009 . . . . . . 92 TRP HZ2 . 6742 1 1029 . 1 1 92 92 TRP HZ3 H 1 6.878 0.008 . . . . . . 92 TRP HZ3 . 6742 1 1030 . 1 1 92 92 TRP HH2 H 1 6.456 0.006 . . . . . . 92 TRP HH2 . 6742 1 1031 . 1 1 92 92 TRP C C 13 175.538 0.018 . . . . . . 92 TRP C . 6742 1 1032 . 1 1 92 92 TRP CA C 13 57.809 0.064 . . . . . . 92 TRP CA . 6742 1 1033 . 1 1 92 92 TRP CB C 13 29.719 0.135 . . . . . . 92 TRP CB . 6742 1 1034 . 1 1 92 92 TRP CD1 C 13 125.747 0.017 . . . . . . 92 TRP CD1 . 6742 1 1035 . 1 1 92 92 TRP CE3 C 13 119.792 0.013 . . . . . . 92 TRP CE3 . 6742 1 1036 . 1 1 92 92 TRP CZ2 C 13 114.204 0.002 . . . . . . 92 TRP CZ2 . 6742 1 1037 . 1 1 92 92 TRP CZ3 C 13 121.404 0.043 . . . . . . 92 TRP CZ3 . 6742 1 1038 . 1 1 92 92 TRP CH2 C 13 124.412 0.006 . . . . . . 92 TRP CH2 . 6742 1 1039 . 1 1 92 92 TRP N N 15 119.286 0.078 . . . . . . 92 TRP N . 6742 1 1040 . 1 1 92 92 TRP NE1 N 15 127.724 0.027 . . . . . . 92 TRP NE1 . 6742 1 1041 . 1 1 93 93 GLY H H 1 8.059 0.006 . . . . . . 93 GLY HN . 6742 1 1042 . 1 1 93 93 GLY HA2 H 1 3.855 0.000 . . . . . . 93 GLY HA1 . 6742 1 1043 . 1 1 93 93 GLY HA3 H 1 4.056 0.000 . . . . . . 93 GLY HA2 . 6742 1 1044 . 1 1 93 93 GLY C C 13 174.110 0.000 . . . . . . 93 GLY C . 6742 1 1045 . 1 1 93 93 GLY CA C 13 46.543 0.062 . . . . . . 93 GLY CA . 6742 1 1046 . 1 1 93 93 GLY N N 15 108.513 0.050 . . . . . . 93 GLY N . 6742 1 1047 . 1 1 94 94 LEU H H 1 7.251 0.007 . . . . . . 94 LEU HN . 6742 1 1048 . 1 1 94 94 LEU HA H 1 5.146 0.006 . . . . . . 94 LEU HA . 6742 1 1049 . 1 1 94 94 LEU HB2 H 1 1.613 0.004 . . . . . . 94 LEU HB2 . 6742 1 1050 . 1 1 94 94 LEU HB3 H 1 1.071 0.009 . . . . . . 94 LEU HB3 . 6742 1 1051 . 1 1 94 94 LEU HG H 1 1.576 0.010 . . . . . . 94 LEU HG . 6742 1 1052 . 1 1 94 94 LEU HD11 H 1 0.511 0.007 . . . . . . 94 LEU QD1 . 6742 1 1053 . 1 1 94 94 LEU HD12 H 1 0.511 0.007 . . . . . . 94 LEU QD1 . 6742 1 1054 . 1 1 94 94 LEU HD13 H 1 0.511 0.007 . . . . . . 94 LEU QD1 . 6742 1 1055 . 1 1 94 94 LEU HD21 H 1 0.712 0.009 . . . . . . 94 LEU QD2 . 6742 1 1056 . 1 1 94 94 LEU HD22 H 1 0.712 0.009 . . . . . . 94 LEU QD2 . 6742 1 1057 . 1 1 94 94 LEU HD23 H 1 0.712 0.009 . . . . . . 94 LEU QD2 . 6742 1 1058 . 1 1 94 94 LEU C C 13 175.833 0.004 . . . . . . 94 LEU C . 6742 1 1059 . 1 1 94 94 LEU CA C 13 53.232 0.066 . . . . . . 94 LEU CA . 6742 1 1060 . 1 1 94 94 LEU CB C 13 43.974 0.099 . . . . . . 94 LEU CB . 6742 1 1061 . 1 1 94 94 LEU CG C 13 26.954 0.104 . . . . . . 94 LEU CG . 6742 1 1062 . 1 1 94 94 LEU CD1 C 13 22.634 0.090 . . . . . . 94 LEU CD1 . 6742 1 1063 . 1 1 94 94 LEU CD2 C 13 27.047 0.108 . . . . . . 94 LEU CD2 . 6742 1 1064 . 1 1 94 94 LEU N N 15 118.797 0.016 . . . . . . 94 LEU N . 6742 1 1065 . 1 1 95 95 GLU H H 1 8.716 0.009 . . . . . . 95 GLU HN . 6742 1 1066 . 1 1 95 95 GLU HA H 1 4.503 0.009 . . . . . . 95 GLU HA . 6742 1 1067 . 1 1 95 95 GLU HB2 H 1 1.785 0.008 . . . . . . 95 GLU HB2 . 6742 1 1068 . 1 1 95 95 GLU HB3 H 1 1.936 0.004 . . . . . . 95 GLU HB3 . 6742 1 1069 . 1 1 95 95 GLU HG2 H 1 2.108 0.005 . . . . . . 95 GLU QG . 6742 1 1070 . 1 1 95 95 GLU HG3 H 1 2.108 0.005 . . . . . . 95 GLU QG . 6742 1 1071 . 1 1 95 95 GLU C C 13 173.779 0.020 . . . . . . 95 GLU C . 6742 1 1072 . 1 1 95 95 GLU CA C 13 54.662 0.058 . . . . . . 95 GLU CA . 6742 1 1073 . 1 1 95 95 GLU CB C 13 34.159 0.067 . . . . . . 95 GLU CB . 6742 1 1074 . 1 1 95 95 GLU CG C 13 36.403 0.062 . . . . . . 95 GLU CG . 6742 1 1075 . 1 1 95 95 GLU N N 15 121.209 0.039 . . . . . . 95 GLU N . 6742 1 1076 . 1 1 96 96 LEU H H 1 8.606 0.008 . . . . . . 96 LEU HN . 6742 1 1077 . 1 1 96 96 LEU HA H 1 5.225 0.011 . . . . . . 96 LEU HA . 6742 1 1078 . 1 1 96 96 LEU HB2 H 1 1.624 0.007 . . . . . . 96 LEU HB2 . 6742 1 1079 . 1 1 96 96 LEU HB3 H 1 1.260 0.007 . . . . . . 96 LEU HB3 . 6742 1 1080 . 1 1 96 96 LEU HG H 1 1.429 0.009 . . . . . . 96 LEU HG . 6742 1 1081 . 1 1 96 96 LEU HD11 H 1 0.390 0.006 . . . . . . 96 LEU QD1 . 6742 1 1082 . 1 1 96 96 LEU HD12 H 1 0.390 0.006 . . . . . . 96 LEU QD1 . 6742 1 1083 . 1 1 96 96 LEU HD13 H 1 0.390 0.006 . . . . . . 96 LEU QD1 . 6742 1 1084 . 1 1 96 96 LEU HD21 H 1 0.514 0.004 . . . . . . 96 LEU QD2 . 6742 1 1085 . 1 1 96 96 LEU HD22 H 1 0.514 0.004 . . . . . . 96 LEU QD2 . 6742 1 1086 . 1 1 96 96 LEU HD23 H 1 0.514 0.004 . . . . . . 96 LEU QD2 . 6742 1 1087 . 1 1 96 96 LEU C C 13 176.833 0.019 . . . . . . 96 LEU C . 6742 1 1088 . 1 1 96 96 LEU CA C 13 53.896 0.084 . . . . . . 96 LEU CA . 6742 1 1089 . 1 1 96 96 LEU CB C 13 43.873 0.051 . . . . . . 96 LEU CB . 6742 1 1090 . 1 1 96 96 LEU CG C 13 27.232 0.012 . . . . . . 96 LEU CG . 6742 1 1091 . 1 1 96 96 LEU CD1 C 13 25.131 0.048 . . . . . . 96 LEU CD1 . 6742 1 1092 . 1 1 96 96 LEU CD2 C 13 24.923 0.055 . . . . . . 96 LEU CD2 . 6742 1 1093 . 1 1 96 96 LEU N N 15 121.651 0.048 . . . . . . 96 LEU N . 6742 1 1094 . 1 1 97 97 ILE H H 1 8.982 0.014 . . . . . . 97 ILE HN . 6742 1 1095 . 1 1 97 97 ILE HA H 1 4.528 0.012 . . . . . . 97 ILE HA . 6742 1 1096 . 1 1 97 97 ILE HB H 1 1.662 0.008 . . . . . . 97 ILE HB . 6742 1 1097 . 1 1 97 97 ILE HG12 H 1 1.439 0.009 . . . . . . 97 ILE HG12 . 6742 1 1098 . 1 1 97 97 ILE HG13 H 1 1.184 0.012 . . . . . . 97 ILE HG13 . 6742 1 1099 . 1 1 97 97 ILE HG21 H 1 0.882 0.003 . . . . . . 97 ILE QG2 . 6742 1 1100 . 1 1 97 97 ILE HG22 H 1 0.882 0.003 . . . . . . 97 ILE QG2 . 6742 1 1101 . 1 1 97 97 ILE HG23 H 1 0.882 0.003 . . . . . . 97 ILE QG2 . 6742 1 1102 . 1 1 97 97 ILE HD11 H 1 0.830 0.007 . . . . . . 97 ILE QD1 . 6742 1 1103 . 1 1 97 97 ILE HD12 H 1 0.830 0.007 . . . . . . 97 ILE QD1 . 6742 1 1104 . 1 1 97 97 ILE HD13 H 1 0.830 0.007 . . . . . . 97 ILE QD1 . 6742 1 1105 . 1 1 97 97 ILE C C 13 175.633 0.002 . . . . . . 97 ILE C . 6742 1 1106 . 1 1 97 97 ILE CA C 13 59.664 0.114 . . . . . . 97 ILE CA . 6742 1 1107 . 1 1 97 97 ILE CB C 13 41.458 0.085 . . . . . . 97 ILE CB . 6742 1 1108 . 1 1 97 97 ILE CG1 C 13 27.653 0.029 . . . . . . 97 ILE CG1 . 6742 1 1109 . 1 1 97 97 ILE CG2 C 13 17.519 0.025 . . . . . . 97 ILE CG2 . 6742 1 1110 . 1 1 97 97 ILE CD1 C 13 13.708 0.046 . . . . . . 97 ILE CD1 . 6742 1 1111 . 1 1 97 97 ILE N N 15 123.563 0.061 . . . . . . 97 ILE N . 6742 1 1112 . 1 1 98 98 LEU H H 1 9.156 0.005 . . . . . . 98 LEU HN . 6742 1 1113 . 1 1 98 98 LEU HA H 1 4.235 0.018 . . . . . . 98 LEU HA . 6742 1 1114 . 1 1 98 98 LEU HB2 H 1 1.776 0.011 . . . . . . 98 LEU HB2 . 6742 1 1115 . 1 1 98 98 LEU HB3 H 1 1.641 0.000 . . . . . . 98 LEU HB3 . 6742 1 1116 . 1 1 98 98 LEU HG H 1 1.645 0.018 . . . . . . 98 LEU HG . 6742 1 1117 . 1 1 98 98 LEU HD11 H 1 0.781 0.005 . . . . . . 98 LEU QD1 . 6742 1 1118 . 1 1 98 98 LEU HD12 H 1 0.781 0.005 . . . . . . 98 LEU QD1 . 6742 1 1119 . 1 1 98 98 LEU HD13 H 1 0.781 0.005 . . . . . . 98 LEU QD1 . 6742 1 1120 . 1 1 98 98 LEU HD21 H 1 0.817 0.012 . . . . . . 98 LEU QD2 . 6742 1 1121 . 1 1 98 98 LEU HD22 H 1 0.817 0.012 . . . . . . 98 LEU QD2 . 6742 1 1122 . 1 1 98 98 LEU HD23 H 1 0.817 0.012 . . . . . . 98 LEU QD2 . 6742 1 1123 . 1 1 98 98 LEU C C 13 177.702 0.024 . . . . . . 98 LEU C . 6742 1 1124 . 1 1 98 98 LEU CA C 13 56.989 0.068 . . . . . . 98 LEU CA . 6742 1 1125 . 1 1 98 98 LEU CB C 13 42.239 0.099 . . . . . . 98 LEU CB . 6742 1 1126 . 1 1 98 98 LEU CG C 13 27.708 0.108 . . . . . . 98 LEU CG . 6742 1 1127 . 1 1 98 98 LEU CD1 C 13 21.169 0.000 . . . . . . 98 LEU CD1 . 6742 1 1128 . 1 1 98 98 LEU CD2 C 13 23.877 0.028 . . . . . . 98 LEU CD2 . 6742 1 1129 . 1 1 98 98 LEU N N 15 129.830 0.053 . . . . . . 98 LEU N . 6742 1 1130 . 1 1 99 99 PHE H H 1 9.035 0.012 . . . . . . 99 PHE HN . 6742 1 1131 . 1 1 99 99 PHE HA H 1 3.956 0.010 . . . . . . 99 PHE HA . 6742 1 1132 . 1 1 99 99 PHE HB2 H 1 2.877 0.006 . . . . . . 99 PHE HB2 . 6742 1 1133 . 1 1 99 99 PHE HB3 H 1 2.796 0.008 . . . . . . 99 PHE HB3 . 6742 1 1134 . 1 1 99 99 PHE HD1 H 1 7.013 0.007 . . . . . . 99 PHE QD . 6742 1 1135 . 1 1 99 99 PHE HD2 H 1 7.013 0.007 . . . . . . 99 PHE QD . 6742 1 1136 . 1 1 99 99 PHE HE1 H 1 7.343 0.003 . . . . . . 99 PHE QE . 6742 1 1137 . 1 1 99 99 PHE HE2 H 1 7.343 0.003 . . . . . . 99 PHE QE . 6742 1 1138 . 1 1 99 99 PHE HZ H 1 7.154 0.000 . . . . . . 99 PHE HZ . 6742 1 1139 . 1 1 99 99 PHE C C 13 174.714 0.000 . . . . . . 99 PHE C . 6742 1 1140 . 1 1 99 99 PHE CA C 13 59.745 0.066 . . . . . . 99 PHE CA . 6742 1 1141 . 1 1 99 99 PHE CB C 13 41.000 0.000 . . . . . . 99 PHE CB . 6742 1 1142 . 1 1 99 99 PHE CD1 C 13 131.482 0.020 . . . . . . 99 PHE CD1 . 6742 1 1143 . 1 1 99 99 PHE CE1 C 13 131.521 0.025 . . . . . . 99 PHE CE1 . 6742 1 1144 . 1 1 99 99 PHE N N 15 130.004 0.074 . . . . . . 99 PHE N . 6742 1 1145 . 1 1 100 100 ASN HA H 1 4.572 0.004 . . . . . . 100 ASN HA . 6742 1 1146 . 1 1 100 100 ASN HB2 H 1 2.750 0.014 . . . . . . 100 ASN HB2 . 6742 1 1147 . 1 1 100 100 ASN HB3 H 1 2.857 0.009 . . . . . . 100 ASN HB3 . 6742 1 1148 . 1 1 100 100 ASN HD21 H 1 7.497 0.004 . . . . . . 100 ASN HD21 . 6742 1 1149 . 1 1 100 100 ASN HD22 H 1 6.798 0.004 . . . . . . 100 ASN HD22 . 6742 1 1150 . 1 1 100 100 ASN C C 13 175.103 0.006 . . . . . . 100 ASN C . 6742 1 1151 . 1 1 100 100 ASN CA C 13 52.463 0.045 . . . . . . 100 ASN CA . 6742 1 1152 . 1 1 100 100 ASN CB C 13 37.555 0.050 . . . . . . 100 ASN CB . 6742 1 1153 . 1 1 100 100 ASN ND2 N 15 111.598 0.007 . . . . . . 100 ASN ND2 . 6742 1 1154 . 1 1 101 101 SER H H 1 7.726 0.008 . . . . . . 101 SER HN . 6742 1 1155 . 1 1 101 101 SER HA H 1 4.710 0.001 . . . . . . 101 SER HA . 6742 1 1156 . 1 1 101 101 SER HB2 H 1 4.427 0.005 . . . . . . 101 SER HB2 . 6742 1 1157 . 1 1 101 101 SER HB3 H 1 4.126 0.002 . . . . . . 101 SER HB3 . 6742 1 1158 . 1 1 101 101 SER CA C 13 56.855 0.083 . . . . . . 101 SER CA . 6742 1 1159 . 1 1 101 101 SER CB C 13 64.095 0.058 . . . . . . 101 SER CB . 6742 1 1160 . 1 1 101 101 SER N N 15 116.087 0.046 . . . . . . 101 SER N . 6742 1 1161 . 1 1 102 102 PRO HA H 1 4.279 0.016 . . . . . . 102 PRO HA . 6742 1 1162 . 1 1 102 102 PRO HB2 H 1 2.389 0.004 . . . . . . 102 PRO HB2 . 6742 1 1163 . 1 1 102 102 PRO HB3 H 1 1.932 0.000 . . . . . . 102 PRO HB3 . 6742 1 1164 . 1 1 102 102 PRO HG2 H 1 2.237 0.000 . . . . . . 102 PRO HG2 . 6742 1 1165 . 1 1 102 102 PRO HG3 H 1 2.074 0.002 . . . . . . 102 PRO HG3 . 6742 1 1166 . 1 1 102 102 PRO HD2 H 1 3.931 0.031 . . . . . . 102 PRO QD . 6742 1 1167 . 1 1 102 102 PRO HD3 H 1 3.931 0.031 . . . . . . 102 PRO QD . 6742 1 1168 . 1 1 102 102 PRO C C 13 179.142 0.004 . . . . . . 102 PRO C . 6742 1 1169 . 1 1 102 102 PRO CA C 13 65.689 0.090 . . . . . . 102 PRO CA . 6742 1 1170 . 1 1 102 102 PRO CB C 13 32.164 0.024 . . . . . . 102 PRO CB . 6742 1 1171 . 1 1 102 102 PRO CG C 13 28.256 0.070 . . . . . . 102 PRO CG . 6742 1 1172 . 1 1 103 103 GLU H H 1 8.928 0.008 . . . . . . 103 GLU HN . 6742 1 1173 . 1 1 103 103 GLU HA H 1 3.934 0.011 . . . . . . 103 GLU HA . 6742 1 1174 . 1 1 103 103 GLU HB2 H 1 1.974 0.003 . . . . . . 103 GLU HB2 . 6742 1 1175 . 1 1 103 103 GLU HB3 H 1 2.080 0.010 . . . . . . 103 GLU HB3 . 6742 1 1176 . 1 1 103 103 GLU HG2 H 1 2.476 0.012 . . . . . . 103 GLU HG2 . 6742 1 1177 . 1 1 103 103 GLU HG3 H 1 2.278 0.008 . . . . . . 103 GLU HG3 . 6742 1 1178 . 1 1 103 103 GLU C C 13 177.795 0.025 . . . . . . 103 GLU C . 6742 1 1179 . 1 1 103 103 GLU CA C 13 60.028 0.086 . . . . . . 103 GLU CA . 6742 1 1180 . 1 1 103 103 GLU CB C 13 28.809 0.179 . . . . . . 103 GLU CB . 6742 1 1181 . 1 1 103 103 GLU CG C 13 36.870 0.057 . . . . . . 103 GLU CG . 6742 1 1182 . 1 1 103 103 GLU N N 15 115.913 0.068 . . . . . . 103 GLU N . 6742 1 1183 . 1 1 104 104 TYR H H 1 7.505 0.006 . . . . . . 104 TYR HN . 6742 1 1184 . 1 1 104 104 TYR HA H 1 4.293 0.007 . . . . . . 104 TYR HA . 6742 1 1185 . 1 1 104 104 TYR HB2 H 1 3.060 0.004 . . . . . . 104 TYR HB2 . 6742 1 1186 . 1 1 104 104 TYR HB3 H 1 2.943 0.002 . . . . . . 104 TYR HB3 . 6742 1 1187 . 1 1 104 104 TYR HD1 H 1 7.150 0.000 . . . . . . 104 TYR QD . 6742 1 1188 . 1 1 104 104 TYR HD2 H 1 7.150 0.000 . . . . . . 104 TYR QD . 6742 1 1189 . 1 1 104 104 TYR HE1 H 1 6.793 0.006 . . . . . . 104 TYR QE . 6742 1 1190 . 1 1 104 104 TYR HE2 H 1 6.793 0.006 . . . . . . 104 TYR QE . 6742 1 1191 . 1 1 104 104 TYR C C 13 179.204 0.015 . . . . . . 104 TYR C . 6742 1 1192 . 1 1 104 104 TYR CA C 13 61.175 0.023 . . . . . . 104 TYR CA . 6742 1 1193 . 1 1 104 104 TYR CB C 13 39.400 0.000 . . . . . . 104 TYR CB . 6742 1 1194 . 1 1 104 104 TYR CE1 C 13 118.580 0.000 . . . . . . 104 TYR CE1 . 6742 1 1195 . 1 1 104 104 TYR N N 15 119.181 0.060 . . . . . . 104 TYR N . 6742 1 1196 . 1 1 105 105 GLN H H 1 8.642 0.003 . . . . . . 105 GLN HN . 6742 1 1197 . 1 1 105 105 GLN HA H 1 3.724 0.011 . . . . . . 105 GLN HA . 6742 1 1198 . 1 1 105 105 GLN HB2 H 1 2.030 0.022 . . . . . . 105 GLN HB2 . 6742 1 1199 . 1 1 105 105 GLN HB3 H 1 1.952 0.012 . . . . . . 105 GLN HB3 . 6742 1 1200 . 1 1 105 105 GLN HG2 H 1 2.469 0.005 . . . . . . 105 GLN HG2 . 6742 1 1201 . 1 1 105 105 GLN HG3 H 1 2.389 0.004 . . . . . . 105 GLN HG3 . 6742 1 1202 . 1 1 105 105 GLN HE21 H 1 6.320 0.005 . . . . . . 105 GLN HE21 . 6742 1 1203 . 1 1 105 105 GLN HE22 H 1 7.312 0.008 . . . . . . 105 GLN HE22 . 6742 1 1204 . 1 1 105 105 GLN C C 13 179.329 0.012 . . . . . . 105 GLN C . 6742 1 1205 . 1 1 105 105 GLN CA C 13 59.064 0.097 . . . . . . 105 GLN CA . 6742 1 1206 . 1 1 105 105 GLN CB C 13 28.613 0.108 . . . . . . 105 GLN CB . 6742 1 1207 . 1 1 105 105 GLN CG C 13 34.281 0.000 . . . . . . 105 GLN CG . 6742 1 1208 . 1 1 105 105 GLN N N 15 119.409 0.060 . . . . . . 105 GLN N . 6742 1 1209 . 1 1 105 105 GLN NE2 N 15 112.518 0.066 . . . . . . 105 GLN NE2 . 6742 1 1210 . 1 1 106 106 ARG H H 1 7.904 0.007 . . . . . . 106 ARG HN . 6742 1 1211 . 1 1 106 106 ARG HA H 1 4.060 0.015 . . . . . . 106 ARG HA . 6742 1 1212 . 1 1 106 106 ARG HB2 H 1 1.855 0.000 . . . . . . 106 ARG HB2 . 6742 1 1213 . 1 1 106 106 ARG HG2 H 1 1.680 0.000 . . . . . . 106 ARG HG2 . 6742 1 1214 . 1 1 106 106 ARG HD2 H 1 3.157 0.004 . . . . . . 106 ARG QD . 6742 1 1215 . 1 1 106 106 ARG HD3 H 1 3.157 0.004 . . . . . . 106 ARG QD . 6742 1 1216 . 1 1 106 106 ARG C C 13 176.934 0.003 . . . . . . 106 ARG C . 6742 1 1217 . 1 1 106 106 ARG CA C 13 58.490 0.072 . . . . . . 106 ARG CA . 6742 1 1218 . 1 1 106 106 ARG CB C 13 30.248 0.169 . . . . . . 106 ARG CB . 6742 1 1219 . 1 1 106 106 ARG CG C 13 27.535 0.008 . . . . . . 106 ARG CG . 6742 1 1220 . 1 1 106 106 ARG CD C 13 43.679 0.008 . . . . . . 106 ARG CD . 6742 1 1221 . 1 1 106 106 ARG N N 15 116.913 0.080 . . . . . . 106 ARG N . 6742 1 1222 . 1 1 107 107 LEU H H 1 7.289 0.007 . . . . . . 107 LEU HN . 6742 1 1223 . 1 1 107 107 LEU HA H 1 3.980 0.011 . . . . . . 107 LEU HA . 6742 1 1224 . 1 1 107 107 LEU HB2 H 1 1.320 0.007 . . . . . . 107 LEU HB2 . 6742 1 1225 . 1 1 107 107 LEU HB3 H 1 1.622 0.003 . . . . . . 107 LEU HB3 . 6742 1 1226 . 1 1 107 107 LEU HG H 1 1.738 0.004 . . . . . . 107 LEU HG . 6742 1 1227 . 1 1 107 107 LEU HD11 H 1 0.787 0.003 . . . . . . 107 LEU QD1 . 6742 1 1228 . 1 1 107 107 LEU HD12 H 1 0.787 0.003 . . . . . . 107 LEU QD1 . 6742 1 1229 . 1 1 107 107 LEU HD13 H 1 0.787 0.003 . . . . . . 107 LEU QD1 . 6742 1 1230 . 1 1 107 107 LEU HD21 H 1 0.914 0.005 . . . . . . 107 LEU QD2 . 6742 1 1231 . 1 1 107 107 LEU HD22 H 1 0.914 0.005 . . . . . . 107 LEU QD2 . 6742 1 1232 . 1 1 107 107 LEU HD23 H 1 0.914 0.005 . . . . . . 107 LEU QD2 . 6742 1 1233 . 1 1 107 107 LEU C C 13 176.832 0.011 . . . . . . 107 LEU C . 6742 1 1234 . 1 1 107 107 LEU CA C 13 56.055 0.041 . . . . . . 107 LEU CA . 6742 1 1235 . 1 1 107 107 LEU CB C 13 41.782 0.060 . . . . . . 107 LEU CB . 6742 1 1236 . 1 1 107 107 LEU CG C 13 26.516 0.026 . . . . . . 107 LEU CG . 6742 1 1237 . 1 1 107 107 LEU CD1 C 13 21.899 0.045 . . . . . . 107 LEU CD1 . 6742 1 1238 . 1 1 107 107 LEU CD2 C 13 25.991 0.069 . . . . . . 107 LEU CD2 . 6742 1 1239 . 1 1 107 107 LEU N N 15 117.788 0.069 . . . . . . 107 LEU N . 6742 1 1240 . 1 1 108 108 ARG H H 1 7.468 0.007 . . . . . . 108 ARG HN . 6742 1 1241 . 1 1 108 108 ARG HA H 1 3.717 0.008 . . . . . . 108 ARG HA . 6742 1 1242 . 1 1 108 108 ARG HB2 H 1 1.826 0.003 . . . . . . 108 ARG QB . 6742 1 1243 . 1 1 108 108 ARG HB3 H 1 1.826 0.003 . . . . . . 108 ARG QB . 6742 1 1244 . 1 1 108 108 ARG HG2 H 1 1.508 0.003 . . . . . . 108 ARG HG2 . 6742 1 1245 . 1 1 108 108 ARG HG3 H 1 1.552 0.006 . . . . . . 108 ARG HG3 . 6742 1 1246 . 1 1 108 108 ARG HD2 H 1 3.156 0.007 . . . . . . 108 ARG QD . 6742 1 1247 . 1 1 108 108 ARG HD3 H 1 3.156 0.007 . . . . . . 108 ARG QD . 6742 1 1248 . 1 1 108 108 ARG C C 13 175.261 0.007 . . . . . . 108 ARG C . 6742 1 1249 . 1 1 108 108 ARG CA C 13 56.702 0.100 . . . . . . 108 ARG CA . 6742 1 1250 . 1 1 108 108 ARG CB C 13 27.432 0.033 . . . . . . 108 ARG CB . 6742 1 1251 . 1 1 108 108 ARG CG C 13 27.277 0.029 . . . . . . 108 ARG CG . 6742 1 1252 . 1 1 108 108 ARG CD C 13 43.686 0.020 . . . . . . 108 ARG CD . 6742 1 1253 . 1 1 108 108 ARG N N 15 114.114 0.036 . . . . . . 108 ARG N . 6742 1 1254 . 1 1 109 109 ILE H H 1 8.247 0.007 . . . . . . 109 ILE HN . 6742 1 1255 . 1 1 109 109 ILE HA H 1 3.898 0.009 . . . . . . 109 ILE HA . 6742 1 1256 . 1 1 109 109 ILE HB H 1 1.463 0.011 . . . . . . 109 ILE HB . 6742 1 1257 . 1 1 109 109 ILE HG12 H 1 1.295 0.009 . . . . . . 109 ILE HG12 . 6742 1 1258 . 1 1 109 109 ILE HG13 H 1 0.906 0.004 . . . . . . 109 ILE HG13 . 6742 1 1259 . 1 1 109 109 ILE HG21 H 1 0.880 0.005 . . . . . . 109 ILE QG2 . 6742 1 1260 . 1 1 109 109 ILE HG22 H 1 0.880 0.005 . . . . . . 109 ILE QG2 . 6742 1 1261 . 1 1 109 109 ILE HG23 H 1 0.880 0.005 . . . . . . 109 ILE QG2 . 6742 1 1262 . 1 1 109 109 ILE HD11 H 1 0.763 0.005 . . . . . . 109 ILE QD1 . 6742 1 1263 . 1 1 109 109 ILE HD12 H 1 0.763 0.005 . . . . . . 109 ILE QD1 . 6742 1 1264 . 1 1 109 109 ILE HD13 H 1 0.763 0.005 . . . . . . 109 ILE QD1 . 6742 1 1265 . 1 1 109 109 ILE C C 13 177.267 0.026 . . . . . . 109 ILE C . 6742 1 1266 . 1 1 109 109 ILE CA C 13 60.845 0.054 . . . . . . 109 ILE CA . 6742 1 1267 . 1 1 109 109 ILE CB C 13 39.278 0.111 . . . . . . 109 ILE CB . 6742 1 1268 . 1 1 109 109 ILE CG1 C 13 28.126 0.060 . . . . . . 109 ILE CG1 . 6742 1 1269 . 1 1 109 109 ILE CG2 C 13 17.100 0.067 . . . . . . 109 ILE CG2 . 6742 1 1270 . 1 1 109 109 ILE CD1 C 13 13.419 0.076 . . . . . . 109 ILE CD1 . 6742 1 1271 . 1 1 109 109 ILE N N 15 121.471 0.049 . . . . . . 109 ILE N . 6742 1 1272 . 1 1 110 110 ASP H H 1 8.980 0.006 . . . . . . 110 ASP HN . 6742 1 1273 . 1 1 110 110 ASP HA H 1 4.771 0.008 . . . . . . 110 ASP HA . 6742 1 1274 . 1 1 110 110 ASP HB2 H 1 2.882 0.016 . . . . . . 110 ASP HB2 . 6742 1 1275 . 1 1 110 110 ASP HB3 H 1 2.565 0.006 . . . . . . 110 ASP HB3 . 6742 1 1276 . 1 1 110 110 ASP CA C 13 52.265 0.016 . . . . . . 110 ASP CA . 6742 1 1277 . 1 1 110 110 ASP CB C 13 42.135 0.015 . . . . . . 110 ASP CB . 6742 1 1278 . 1 1 110 110 ASP N N 15 132.572 0.041 . . . . . . 110 ASP N . 6742 1 1279 . 1 1 111 111 PRO HA H 1 4.521 0.007 . . . . . . 111 PRO HA . 6742 1 1280 . 1 1 111 111 PRO HB2 H 1 1.573 0.008 . . . . . . 111 PRO HB2 . 6742 1 1281 . 1 1 111 111 PRO HB3 H 1 2.242 0.014 . . . . . . 111 PRO HB3 . 6742 1 1282 . 1 1 111 111 PRO HG2 H 1 1.907 0.006 . . . . . . 111 PRO HG2 . 6742 1 1283 . 1 1 111 111 PRO HG3 H 1 2.208 0.021 . . . . . . 111 PRO HG3 . 6742 1 1284 . 1 1 111 111 PRO HD2 H 1 4.044 0.012 . . . . . . 111 PRO HD2 . 6742 1 1285 . 1 1 111 111 PRO HD3 H 1 4.120 0.008 . . . . . . 111 PRO HD3 . 6742 1 1286 . 1 1 111 111 PRO C C 13 176.718 0.004 . . . . . . 111 PRO C . 6742 1 1287 . 1 1 111 111 PRO CA C 13 66.132 0.073 . . . . . . 111 PRO CA . 6742 1 1288 . 1 1 111 111 PRO CB C 13 32.453 0.087 . . . . . . 111 PRO CB . 6742 1 1289 . 1 1 111 111 PRO CG C 13 27.480 0.057 . . . . . . 111 PRO CG . 6742 1 1290 . 1 1 111 111 PRO CD C 13 51.215 0.045 . . . . . . 111 PRO CD . 6742 1 1291 . 1 1 112 112 ILE H H 1 7.698 0.008 . . . . . . 112 ILE HN . 6742 1 1292 . 1 1 112 112 ILE HA H 1 4.047 0.011 . . . . . . 112 ILE HA . 6742 1 1293 . 1 1 112 112 ILE HB H 1 2.044 0.005 . . . . . . 112 ILE HB . 6742 1 1294 . 1 1 112 112 ILE HG12 H 1 1.329 0.018 . . . . . . 112 ILE HG12 . 6742 1 1295 . 1 1 112 112 ILE HG13 H 1 1.285 0.011 . . . . . . 112 ILE HG13 . 6742 1 1296 . 1 1 112 112 ILE HG21 H 1 1.003 0.006 . . . . . . 112 ILE QG2 . 6742 1 1297 . 1 1 112 112 ILE HG22 H 1 1.003 0.006 . . . . . . 112 ILE QG2 . 6742 1 1298 . 1 1 112 112 ILE HG23 H 1 1.003 0.006 . . . . . . 112 ILE QG2 . 6742 1 1299 . 1 1 112 112 ILE HD11 H 1 0.934 0.012 . . . . . . 112 ILE QD1 . 6742 1 1300 . 1 1 112 112 ILE HD12 H 1 0.934 0.012 . . . . . . 112 ILE QD1 . 6742 1 1301 . 1 1 112 112 ILE HD13 H 1 0.934 0.012 . . . . . . 112 ILE QD1 . 6742 1 1302 . 1 1 112 112 ILE C C 13 177.385 0.023 . . . . . . 112 ILE C . 6742 1 1303 . 1 1 112 112 ILE CA C 13 63.731 0.096 . . . . . . 112 ILE CA . 6742 1 1304 . 1 1 112 112 ILE CB C 13 38.652 0.059 . . . . . . 112 ILE CB . 6742 1 1305 . 1 1 112 112 ILE CG1 C 13 26.659 0.064 . . . . . . 112 ILE CG1 . 6742 1 1306 . 1 1 112 112 ILE CG2 C 13 18.584 0.070 . . . . . . 112 ILE CG2 . 6742 1 1307 . 1 1 112 112 ILE CD1 C 13 14.838 0.056 . . . . . . 112 ILE CD1 . 6742 1 1308 . 1 1 112 112 ILE N N 15 109.524 0.051 . . . . . . 112 ILE N . 6742 1 1309 . 1 1 113 113 ASN H H 1 8.655 0.007 . . . . . . 113 ASN HN . 6742 1 1310 . 1 1 113 113 ASN HA H 1 4.980 0.008 . . . . . . 113 ASN HA . 6742 1 1311 . 1 1 113 113 ASN HB2 H 1 3.151 0.011 . . . . . . 113 ASN HB2 . 6742 1 1312 . 1 1 113 113 ASN HB3 H 1 2.905 0.013 . . . . . . 113 ASN HB3 . 6742 1 1313 . 1 1 113 113 ASN HD21 H 1 7.119 0.004 . . . . . . 113 ASN HD21 . 6742 1 1314 . 1 1 113 113 ASN HD22 H 1 7.898 0.002 . . . . . . 113 ASN HD22 . 6742 1 1315 . 1 1 113 113 ASN C C 13 177.322 0.023 . . . . . . 113 ASN C . 6742 1 1316 . 1 1 113 113 ASN CA C 13 53.808 0.068 . . . . . . 113 ASN CA . 6742 1 1317 . 1 1 113 113 ASN CB C 13 39.279 0.097 . . . . . . 113 ASN CB . 6742 1 1318 . 1 1 113 113 ASN N N 15 117.164 0.053 . . . . . . 113 ASN N . 6742 1 1319 . 1 1 113 113 ASN ND2 N 15 113.421 0.051 . . . . . . 113 ASN ND2 . 6742 1 1320 . 1 1 114 114 GLU H H 1 7.668 0.007 . . . . . . 114 GLU HN . 6742 1 1321 . 1 1 114 114 GLU HA H 1 4.869 0.029 . . . . . . 114 GLU HA . 6742 1 1322 . 1 1 114 114 GLU C C 13 173.571 0.018 . . . . . . 114 GLU C . 6742 1 1323 . 1 1 114 114 GLU CA C 13 56.611 0.039 . . . . . . 114 GLU CA . 6742 1 1324 . 1 1 114 114 GLU CB C 13 29.651 0.000 . . . . . . 114 GLU CB . 6742 1 1325 . 1 1 114 114 GLU N N 15 120.738 0.050 . . . . . . 114 GLU N . 6742 1 1326 . 1 1 115 115 ARG H H 1 8.709 0.007 . . . . . . 115 ARG HN . 6742 1 1327 . 1 1 115 115 ARG HB2 H 1 1.858 0.000 . . . . . . 115 ARG HB2 . 6742 1 1328 . 1 1 115 115 ARG HD2 H 1 3.244 0.000 . . . . . . 115 ARG QD . 6742 1 1329 . 1 1 115 115 ARG HD3 H 1 3.244 0.000 . . . . . . 115 ARG QD . 6742 1 1330 . 1 1 115 115 ARG HE H 1 7.376 0.000 . . . . . . 115 ARG HE . 6742 1 1331 . 1 1 115 115 ARG C C 13 177.016 0.000 . . . . . . 115 ARG C . 6742 1 1332 . 1 1 115 115 ARG CA C 13 57.510 0.074 . . . . . . 115 ARG CA . 6742 1 1333 . 1 1 115 115 ARG N N 15 113.278 0.116 . . . . . . 115 ARG N . 6742 1 1334 . 1 1 115 115 ARG NE N 15 119.723 0.000 . . . . . . 115 ARG NE . 6742 1 1335 . 1 1 116 116 SER H H 1 7.918 0.005 . . . . . . 116 SER HN . 6742 1 1336 . 1 1 116 116 SER HA H 1 5.198 0.006 . . . . . . 116 SER HA . 6742 1 1337 . 1 1 116 116 SER HB2 H 1 3.751 0.011 . . . . . . 116 SER HB2 . 6742 1 1338 . 1 1 116 116 SER HB3 H 1 3.648 0.011 . . . . . . 116 SER HB3 . 6742 1 1339 . 1 1 116 116 SER C C 13 171.091 0.016 . . . . . . 116 SER C . 6742 1 1340 . 1 1 116 116 SER CA C 13 59.262 0.098 . . . . . . 116 SER CA . 6742 1 1341 . 1 1 116 116 SER CB C 13 65.944 0.096 . . . . . . 116 SER CB . 6742 1 1342 . 1 1 116 116 SER N N 15 109.993 0.066 . . . . . . 116 SER N . 6742 1 1343 . 1 1 117 117 PHE H H 1 9.371 0.014 . . . . . . 117 PHE HN . 6742 1 1344 . 1 1 117 117 PHE HA H 1 5.616 0.008 . . . . . . 117 PHE HA . 6742 1 1345 . 1 1 117 117 PHE HB2 H 1 2.822 0.010 . . . . . . 117 PHE HB2 . 6742 1 1346 . 1 1 117 117 PHE HB3 H 1 2.437 0.008 . . . . . . 117 PHE HB3 . 6742 1 1347 . 1 1 117 117 PHE HD1 H 1 6.812 0.013 . . . . . . 117 PHE QD . 6742 1 1348 . 1 1 117 117 PHE HD2 H 1 6.812 0.013 . . . . . . 117 PHE QD . 6742 1 1349 . 1 1 117 117 PHE HE1 H 1 6.850 0.009 . . . . . . 117 PHE QE . 6742 1 1350 . 1 1 117 117 PHE HE2 H 1 6.850 0.009 . . . . . . 117 PHE QE . 6742 1 1351 . 1 1 117 117 PHE C C 13 175.546 0.032 . . . . . . 117 PHE C . 6742 1 1352 . 1 1 117 117 PHE CA C 13 56.476 0.059 . . . . . . 117 PHE CA . 6742 1 1353 . 1 1 117 117 PHE CB C 13 43.108 0.402 . . . . . . 117 PHE CB . 6742 1 1354 . 1 1 117 117 PHE CE1 C 13 131.241 0.017 . . . . . . 117 PHE CE1 . 6742 1 1355 . 1 1 117 117 PHE N N 15 119.336 0.057 . . . . . . 117 PHE N . 6742 1 1356 . 1 1 118 118 ILE H H 1 9.451 0.007 . . . . . . 118 ILE HN . 6742 1 1357 . 1 1 118 118 ILE HA H 1 5.120 0.014 . . . . . . 118 ILE HA . 6742 1 1358 . 1 1 118 118 ILE HB H 1 1.673 0.014 . . . . . . 118 ILE HB . 6742 1 1359 . 1 1 118 118 ILE HG12 H 1 1.600 0.012 . . . . . . 118 ILE QG1 . 6742 1 1360 . 1 1 118 118 ILE HG13 H 1 1.600 0.012 . . . . . . 118 ILE QG1 . 6742 1 1361 . 1 1 118 118 ILE HG21 H 1 1.038 0.009 . . . . . . 118 ILE QG2 . 6742 1 1362 . 1 1 118 118 ILE HG22 H 1 1.038 0.009 . . . . . . 118 ILE QG2 . 6742 1 1363 . 1 1 118 118 ILE HG23 H 1 1.038 0.009 . . . . . . 118 ILE QG2 . 6742 1 1364 . 1 1 118 118 ILE HD11 H 1 0.590 0.008 . . . . . . 118 ILE QD1 . 6742 1 1365 . 1 1 118 118 ILE HD12 H 1 0.590 0.008 . . . . . . 118 ILE QD1 . 6742 1 1366 . 1 1 118 118 ILE HD13 H 1 0.590 0.008 . . . . . . 118 ILE QD1 . 6742 1 1367 . 1 1 118 118 ILE C C 13 174.584 0.009 . . . . . . 118 ILE C . 6742 1 1368 . 1 1 118 118 ILE CA C 13 60.602 0.072 . . . . . . 118 ILE CA . 6742 1 1369 . 1 1 118 118 ILE CB C 13 42.132 0.069 . . . . . . 118 ILE CB . 6742 1 1370 . 1 1 118 118 ILE CG1 C 13 27.160 0.097 . . . . . . 118 ILE CG1 . 6742 1 1371 . 1 1 118 118 ILE CG2 C 13 18.851 0.077 . . . . . . 118 ILE CG2 . 6742 1 1372 . 1 1 118 118 ILE CD1 C 13 14.575 0.053 . . . . . . 118 ILE CD1 . 6742 1 1373 . 1 1 118 118 ILE N N 15 119.072 0.049 . . . . . . 118 ILE N . 6742 1 1374 . 1 1 119 119 CYS H H 1 9.003 0.007 . . . . . . 119 CYS HN . 6742 1 1375 . 1 1 119 119 CYS HA H 1 5.291 0.006 . . . . . . 119 CYS HA . 6742 1 1376 . 1 1 119 119 CYS HB2 H 1 2.054 0.010 . . . . . . 119 CYS HB2 . 6742 1 1377 . 1 1 119 119 CYS HB3 H 1 1.652 0.007 . . . . . . 119 CYS HB3 . 6742 1 1378 . 1 1 119 119 CYS C C 13 173.928 0.007 . . . . . . 119 CYS C . 6742 1 1379 . 1 1 119 119 CYS CA C 13 56.177 0.086 . . . . . . 119 CYS CA . 6742 1 1380 . 1 1 119 119 CYS CB C 13 30.685 0.087 . . . . . . 119 CYS CB . 6742 1 1381 . 1 1 119 119 CYS N N 15 123.289 0.058 . . . . . . 119 CYS N . 6742 1 1382 . 1 1 120 120 ASN H H 1 9.128 0.007 . . . . . . 120 ASN HN . 6742 1 1383 . 1 1 120 120 ASN HA H 1 5.480 0.013 . . . . . . 120 ASN HA . 6742 1 1384 . 1 1 120 120 ASN HB2 H 1 1.650 0.011 . . . . . . 120 ASN HB2 . 6742 1 1385 . 1 1 120 120 ASN HB3 H 1 1.058 0.012 . . . . . . 120 ASN HB3 . 6742 1 1386 . 1 1 120 120 ASN HD21 H 1 6.439 0.002 . . . . . . 120 ASN HD21 . 6742 1 1387 . 1 1 120 120 ASN HD22 H 1 4.619 0.000 . . . . . . 120 ASN HD22 . 6742 1 1388 . 1 1 120 120 ASN C C 13 172.600 0.011 . . . . . . 120 ASN C . 6742 1 1389 . 1 1 120 120 ASN CA C 13 51.882 0.069 . . . . . . 120 ASN CA . 6742 1 1390 . 1 1 120 120 ASN CB C 13 44.446 0.292 . . . . . . 120 ASN CB . 6742 1 1391 . 1 1 120 120 ASN N N 15 120.499 0.031 . . . . . . 120 ASN N . 6742 1 1392 . 1 1 120 120 ASN ND2 N 15 109.300 0.000 . . . . . . 120 ASN ND2 . 6742 1 1393 . 1 1 121 121 TYR H H 1 8.285 0.009 . . . . . . 121 TYR HN . 6742 1 1394 . 1 1 121 121 TYR HA H 1 4.202 0.006 . . . . . . 121 TYR HA . 6742 1 1395 . 1 1 121 121 TYR HB2 H 1 1.912 0.002 . . . . . . 121 TYR HB2 . 6742 1 1396 . 1 1 121 121 TYR HB3 H 1 1.087 0.017 . . . . . . 121 TYR HB3 . 6742 1 1397 . 1 1 121 121 TYR HD1 H 1 6.757 0.004 . . . . . . 121 TYR QD . 6742 1 1398 . 1 1 121 121 TYR HD2 H 1 6.757 0.004 . . . . . . 121 TYR QD . 6742 1 1399 . 1 1 121 121 TYR HE1 H 1 6.768 0.010 . . . . . . 121 TYR QE . 6742 1 1400 . 1 1 121 121 TYR HE2 H 1 6.768 0.010 . . . . . . 121 TYR QE . 6742 1 1401 . 1 1 121 121 TYR C C 13 173.888 0.003 . . . . . . 121 TYR C . 6742 1 1402 . 1 1 121 121 TYR CA C 13 57.922 0.027 . . . . . . 121 TYR CA . 6742 1 1403 . 1 1 121 121 TYR CB C 13 38.636 0.101 . . . . . . 121 TYR CB . 6742 1 1404 . 1 1 121 121 TYR CD1 C 13 132.571 0.065 . . . . . . 121 TYR CD1 . 6742 1 1405 . 1 1 121 121 TYR CE1 C 13 117.987 0.015 . . . . . . 121 TYR CE1 . 6742 1 1406 . 1 1 121 121 TYR N N 15 128.129 0.051 . . . . . . 121 TYR N . 6742 1 1407 . 1 1 122 122 LYS H H 1 8.876 0.012 . . . . . . 122 LYS HN . 6742 1 1408 . 1 1 122 122 LYS HA H 1 3.422 0.009 . . . . . . 122 LYS HA . 6742 1 1409 . 1 1 122 122 LYS HB2 H 1 1.405 0.014 . . . . . . 122 LYS HB2 . 6742 1 1410 . 1 1 122 122 LYS HB3 H 1 1.362 0.003 . . . . . . 122 LYS HB3 . 6742 1 1411 . 1 1 122 122 LYS HG2 H 1 0.351 0.010 . . . . . . 122 LYS HG2 . 6742 1 1412 . 1 1 122 122 LYS HG3 H 1 0.336 0.003 . . . . . . 122 LYS HG3 . 6742 1 1413 . 1 1 122 122 LYS HD2 H 1 0.681 0.008 . . . . . . 122 LYS HD2 . 6742 1 1414 . 1 1 122 122 LYS HD3 H 1 0.692 0.004 . . . . . . 122 LYS HD3 . 6742 1 1415 . 1 1 122 122 LYS HE2 H 1 2.778 0.013 . . . . . . 122 LYS HE2 . 6742 1 1416 . 1 1 122 122 LYS HE3 H 1 2.726 0.006 . . . . . . 122 LYS HE3 . 6742 1 1417 . 1 1 122 122 LYS C C 13 175.665 0.021 . . . . . . 122 LYS C . 6742 1 1418 . 1 1 122 122 LYS CA C 13 58.943 0.127 . . . . . . 122 LYS CA . 6742 1 1419 . 1 1 122 122 LYS CB C 13 29.314 0.095 . . . . . . 122 LYS CB . 6742 1 1420 . 1 1 122 122 LYS CG C 13 24.911 0.054 . . . . . . 122 LYS CG . 6742 1 1421 . 1 1 122 122 LYS CD C 13 24.878 0.031 . . . . . . 122 LYS CD . 6742 1 1422 . 1 1 122 122 LYS CE C 13 42.204 0.022 . . . . . . 122 LYS CE . 6742 1 1423 . 1 1 122 122 LYS N N 15 126.561 0.057 . . . . . . 122 LYS N . 6742 1 1424 . 1 1 123 123 GLU H H 1 9.204 0.012 . . . . . . 123 GLU HN . 6742 1 1425 . 1 1 123 123 GLU HA H 1 4.386 0.006 . . . . . . 123 GLU HA . 6742 1 1426 . 1 1 123 123 GLU HB2 H 1 2.154 0.004 . . . . . . 123 GLU QB . 6742 1 1427 . 1 1 123 123 GLU HB3 H 1 2.154 0.004 . . . . . . 123 GLU QB . 6742 1 1428 . 1 1 123 123 GLU HG2 H 1 2.311 0.003 . . . . . . 123 GLU QG . 6742 1 1429 . 1 1 123 123 GLU HG3 H 1 2.311 0.003 . . . . . . 123 GLU QG . 6742 1 1430 . 1 1 123 123 GLU C C 13 175.272 0.007 . . . . . . 123 GLU C . 6742 1 1431 . 1 1 123 123 GLU CA C 13 58.050 0.028 . . . . . . 123 GLU CA . 6742 1 1432 . 1 1 123 123 GLU N N 15 123.688 0.046 . . . . . . 123 GLU N . 6742 1 1433 . 1 1 124 124 HIS H H 1 8.528 0.006 . . . . . . 124 HIS HN . 6742 1 1434 . 1 1 124 124 HIS HA H 1 5.189 0.009 . . . . . . 124 HIS HA . 6742 1 1435 . 1 1 124 124 HIS HB2 H 1 3.472 0.009 . . . . . . 124 HIS HB2 . 6742 1 1436 . 1 1 124 124 HIS HB3 H 1 3.166 0.005 . . . . . . 124 HIS HB3 . 6742 1 1437 . 1 1 124 124 HIS HD2 H 1 7.508 0.005 . . . . . . 124 HIS HD2 . 6742 1 1438 . 1 1 124 124 HIS C C 13 174.808 0.016 . . . . . . 124 HIS C . 6742 1 1439 . 1 1 124 124 HIS CA C 13 56.998 0.090 . . . . . . 124 HIS CA . 6742 1 1440 . 1 1 124 124 HIS CB C 13 33.327 0.033 . . . . . . 124 HIS CB . 6742 1 1441 . 1 1 124 124 HIS CD2 C 13 117.198 0.002 . . . . . . 124 HIS CD2 . 6742 1 1442 . 1 1 124 124 HIS N N 15 121.552 0.040 . . . . . . 124 HIS N . 6742 1 1443 . 1 1 125 125 TRP H H 1 7.573 0.008 . . . . . . 125 TRP HN . 6742 1 1444 . 1 1 125 125 TRP HA H 1 5.691 0.015 . . . . . . 125 TRP HA . 6742 1 1445 . 1 1 125 125 TRP HB2 H 1 3.606 0.012 . . . . . . 125 TRP HB2 . 6742 1 1446 . 1 1 125 125 TRP HB3 H 1 2.795 0.012 . . . . . . 125 TRP HB3 . 6742 1 1447 . 1 1 125 125 TRP HD1 H 1 7.381 0.016 . . . . . . 125 TRP HD1 . 6742 1 1448 . 1 1 125 125 TRP HE1 H 1 10.309 0.005 . . . . . . 125 TRP HE1 . 6742 1 1449 . 1 1 125 125 TRP HE3 H 1 7.363 0.000 . . . . . . 125 TRP HE3 . 6742 1 1450 . 1 1 125 125 TRP HZ2 H 1 7.198 0.017 . . . . . . 125 TRP HZ2 . 6742 1 1451 . 1 1 125 125 TRP HZ3 H 1 6.571 0.000 . . . . . . 125 TRP HZ3 . 6742 1 1452 . 1 1 125 125 TRP HH2 H 1 6.704 0.011 . . . . . . 125 TRP HH2 . 6742 1 1453 . 1 1 125 125 TRP C C 13 176.084 0.011 . . . . . . 125 TRP C . 6742 1 1454 . 1 1 125 125 TRP CA C 13 56.109 0.109 . . . . . . 125 TRP CA . 6742 1 1455 . 1 1 125 125 TRP CB C 13 32.497 0.088 . . . . . . 125 TRP CB . 6742 1 1456 . 1 1 125 125 TRP CD1 C 13 127.004 0.049 . . . . . . 125 TRP CD1 . 6742 1 1457 . 1 1 125 125 TRP CH2 C 13 123.866 0.000 . . . . . . 125 TRP CH2 . 6742 1 1458 . 1 1 125 125 TRP N N 15 129.860 0.044 . . . . . . 125 TRP N . 6742 1 1459 . 1 1 125 125 TRP NE1 N 15 130.997 0.060 . . . . . . 125 TRP NE1 . 6742 1 1460 . 1 1 126 126 PHE H H 1 9.278 0.009 . . . . . . 126 PHE HN . 6742 1 1461 . 1 1 126 126 PHE HA H 1 4.963 0.010 . . . . . . 126 PHE HA . 6742 1 1462 . 1 1 126 126 PHE HB2 H 1 3.312 0.003 . . . . . . 126 PHE HB2 . 6742 1 1463 . 1 1 126 126 PHE C C 13 171.728 0.042 . . . . . . 126 PHE C . 6742 1 1464 . 1 1 126 126 PHE CA C 13 57.546 0.079 . . . . . . 126 PHE CA . 6742 1 1465 . 1 1 126 126 PHE CB C 13 43.328 0.076 . . . . . . 126 PHE CB . 6742 1 1466 . 1 1 126 126 PHE N N 15 116.375 0.032 . . . . . . 126 PHE N . 6742 1 1467 . 1 1 127 127 THR H H 1 8.818 0.013 . . . . . . 127 THR HN . 6742 1 1468 . 1 1 127 127 THR HA H 1 5.088 0.012 . . . . . . 127 THR HA . 6742 1 1469 . 1 1 127 127 THR HB H 1 4.100 0.011 . . . . . . 127 THR HB . 6742 1 1470 . 1 1 127 127 THR HG21 H 1 1.255 0.008 . . . . . . 127 THR QG2 . 6742 1 1471 . 1 1 127 127 THR HG22 H 1 1.255 0.008 . . . . . . 127 THR QG2 . 6742 1 1472 . 1 1 127 127 THR HG23 H 1 1.255 0.008 . . . . . . 127 THR QG2 . 6742 1 1473 . 1 1 127 127 THR C C 13 172.425 0.013 . . . . . . 127 THR C . 6742 1 1474 . 1 1 127 127 THR CA C 13 62.116 0.122 . . . . . . 127 THR CA . 6742 1 1475 . 1 1 127 127 THR CB C 13 71.612 0.086 . . . . . . 127 THR CB . 6742 1 1476 . 1 1 127 127 THR CG2 C 13 23.538 0.069 . . . . . . 127 THR CG2 . 6742 1 1477 . 1 1 127 127 THR N N 15 119.317 0.089 . . . . . . 127 THR N . 6742 1 1478 . 1 1 128 128 VAL H H 1 8.776 0.012 . . . . . . 128 VAL HN . 6742 1 1479 . 1 1 128 128 VAL HA H 1 5.142 0.008 . . . . . . 128 VAL HA . 6742 1 1480 . 1 1 128 128 VAL HB H 1 2.118 0.008 . . . . . . 128 VAL HB . 6742 1 1481 . 1 1 128 128 VAL HG11 H 1 1.026 0.014 . . . . . . 128 VAL QG1 . 6742 1 1482 . 1 1 128 128 VAL HG12 H 1 1.026 0.014 . . . . . . 128 VAL QG1 . 6742 1 1483 . 1 1 128 128 VAL HG13 H 1 1.026 0.014 . . . . . . 128 VAL QG1 . 6742 1 1484 . 1 1 128 128 VAL HG21 H 1 1.044 0.011 . . . . . . 128 VAL QG2 . 6742 1 1485 . 1 1 128 128 VAL HG22 H 1 1.044 0.011 . . . . . . 128 VAL QG2 . 6742 1 1486 . 1 1 128 128 VAL HG23 H 1 1.044 0.011 . . . . . . 128 VAL QG2 . 6742 1 1487 . 1 1 128 128 VAL C C 13 175.093 0.000 . . . . . . 128 VAL C . 6742 1 1488 . 1 1 128 128 VAL CA C 13 61.724 0.063 . . . . . . 128 VAL CA . 6742 1 1489 . 1 1 128 128 VAL CB C 13 35.002 0.031 . . . . . . 128 VAL CB . 6742 1 1490 . 1 1 128 128 VAL CG1 C 13 22.649 0.194 . . . . . . 128 VAL CG1 . 6742 1 1491 . 1 1 128 128 VAL CG2 C 13 21.532 0.092 . . . . . . 128 VAL CG2 . 6742 1 1492 . 1 1 128 128 VAL N N 15 128.429 0.073 . . . . . . 128 VAL N . 6742 1 1493 . 1 1 129 129 ARG H H 1 9.409 0.008 . . . . . . 129 ARG HN . 6742 1 1494 . 1 1 129 129 ARG HA H 1 5.412 0.000 . . . . . . 129 ARG HA . 6742 1 1495 . 1 1 129 129 ARG C C 13 172.447 0.000 . . . . . . 129 ARG C . 6742 1 1496 . 1 1 129 129 ARG CA C 13 55.400 0.000 . . . . . . 129 ARG CA . 6742 1 1497 . 1 1 129 129 ARG N N 15 124.280 0.081 . . . . . . 129 ARG N . 6742 1 1498 . 1 1 130 130 LYS HA H 1 4.343 0.022 . . . . . . 130 LYS HA . 6742 1 1499 . 1 1 130 130 LYS HB2 H 1 1.106 0.006 . . . . . . 130 LYS HB2 . 6742 1 1500 . 1 1 130 130 LYS HB3 H 1 -0.579 0.012 . . . . . . 130 LYS HB3 . 6742 1 1501 . 1 1 130 130 LYS HG2 H 1 -0.116 0.009 . . . . . . 130 LYS HG2 . 6742 1 1502 . 1 1 130 130 LYS HG3 H 1 0.622 0.010 . . . . . . 130 LYS HG3 . 6742 1 1503 . 1 1 130 130 LYS HD2 H 1 1.308 0.029 . . . . . . 130 LYS HD2 . 6742 1 1504 . 1 1 130 130 LYS HD3 H 1 1.407 0.029 . . . . . . 130 LYS HD3 . 6742 1 1505 . 1 1 130 130 LYS HE2 H 1 2.810 0.007 . . . . . . 130 LYS HE2 . 6742 1 1506 . 1 1 130 130 LYS HE3 H 1 2.715 0.007 . . . . . . 130 LYS HE3 . 6742 1 1507 . 1 1 130 130 LYS C C 13 177.131 0.043 . . . . . . 130 LYS C . 6742 1 1508 . 1 1 130 130 LYS CA C 13 55.300 0.080 . . . . . . 130 LYS CA . 6742 1 1509 . 1 1 130 130 LYS CB C 13 32.254 0.072 . . . . . . 130 LYS CB . 6742 1 1510 . 1 1 130 130 LYS CG C 13 24.503 0.075 . . . . . . 130 LYS CG . 6742 1 1511 . 1 1 130 130 LYS CD C 13 29.952 0.039 . . . . . . 130 LYS CD . 6742 1 1512 . 1 1 130 130 LYS CE C 13 42.095 0.015 . . . . . . 130 LYS CE . 6742 1 1513 . 1 1 131 131 LEU H H 1 9.379 0.009 . . . . . . 131 LEU HN . 6742 1 1514 . 1 1 131 131 LEU HA H 1 4.634 0.006 . . . . . . 131 LEU HA . 6742 1 1515 . 1 1 131 131 LEU HB2 H 1 1.882 0.008 . . . . . . 131 LEU HB2 . 6742 1 1516 . 1 1 131 131 LEU HB3 H 1 1.033 0.005 . . . . . . 131 LEU HB3 . 6742 1 1517 . 1 1 131 131 LEU HG H 1 1.408 0.002 . . . . . . 131 LEU HG . 6742 1 1518 . 1 1 131 131 LEU HD11 H 1 0.801 0.004 . . . . . . 131 LEU QD1 . 6742 1 1519 . 1 1 131 131 LEU HD12 H 1 0.801 0.004 . . . . . . 131 LEU QD1 . 6742 1 1520 . 1 1 131 131 LEU HD13 H 1 0.801 0.004 . . . . . . 131 LEU QD1 . 6742 1 1521 . 1 1 131 131 LEU HD21 H 1 0.625 0.004 . . . . . . 131 LEU QD2 . 6742 1 1522 . 1 1 131 131 LEU HD22 H 1 0.625 0.004 . . . . . . 131 LEU QD2 . 6742 1 1523 . 1 1 131 131 LEU HD23 H 1 0.625 0.004 . . . . . . 131 LEU QD2 . 6742 1 1524 . 1 1 131 131 LEU C C 13 175.738 0.005 . . . . . . 131 LEU C . 6742 1 1525 . 1 1 131 131 LEU CA C 13 54.280 0.067 . . . . . . 131 LEU CA . 6742 1 1526 . 1 1 131 131 LEU CB C 13 44.067 0.061 . . . . . . 131 LEU CB . 6742 1 1527 . 1 1 131 131 LEU CD2 C 13 26.747 0.062 . . . . . . 131 LEU CD2 . 6742 1 1528 . 1 1 131 131 LEU N N 15 132.838 0.080 . . . . . . 131 LEU N . 6742 1 1529 . 1 1 132 132 GLY H H 1 9.526 0.005 . . . . . . 132 GLY HN . 6742 1 1530 . 1 1 132 132 GLY HA2 H 1 3.517 0.005 . . . . . . 132 GLY HA1 . 6742 1 1531 . 1 1 132 132 GLY HA3 H 1 3.896 0.006 . . . . . . 132 GLY HA2 . 6742 1 1532 . 1 1 132 132 GLY C C 13 174.555 0.000 . . . . . . 132 GLY C . 6742 1 1533 . 1 1 132 132 GLY CA C 13 47.422 0.115 . . . . . . 132 GLY CA . 6742 1 1534 . 1 1 132 132 GLY N N 15 113.387 0.066 . . . . . . 132 GLY N . 6742 1 1535 . 1 1 133 133 LYS H H 1 8.652 0.006 . . . . . . 133 LYS HN . 6742 1 1536 . 1 1 133 133 LYS CA C 13 55.935 0.002 . . . . . . 133 LYS CA . 6742 1 1537 . 1 1 133 133 LYS N N 15 124.999 0.107 . . . . . . 133 LYS N . 6742 1 1538 . 1 1 134 134 GLN H H 1 7.886 0.004 . . . . . . 134 GLN HN . 6742 1 1539 . 1 1 134 134 GLN HA H 1 4.712 0.006 . . . . . . 134 GLN HA . 6742 1 1540 . 1 1 134 134 GLN HB2 H 1 1.762 0.000 . . . . . . 134 GLN HB2 . 6742 1 1541 . 1 1 134 134 GLN HB3 H 1 2.056 0.004 . . . . . . 134 GLN HB3 . 6742 1 1542 . 1 1 134 134 GLN HG2 H 1 2.071 0.000 . . . . . . 134 GLN HG2 . 6742 1 1543 . 1 1 134 134 GLN HG3 H 1 2.260 0.003 . . . . . . 134 GLN HG3 . 6742 1 1544 . 1 1 134 134 GLN HE21 H 1 7.802 0.006 . . . . . . 134 GLN HE21 . 6742 1 1545 . 1 1 134 134 GLN HE22 H 1 7.370 0.000 . . . . . . 134 GLN HE22 . 6742 1 1546 . 1 1 134 134 GLN CA C 13 55.209 0.102 . . . . . . 134 GLN CA . 6742 1 1547 . 1 1 134 134 GLN N N 15 120.174 0.026 . . . . . . 134 GLN N . 6742 1 1548 . 1 1 134 134 GLN NE2 N 15 113.597 0.033 . . . . . . 134 GLN NE2 . 6742 1 1549 . 1 1 135 135 TRP HA H 1 4.419 0.000 . . . . . . 135 TRP HA . 6742 1 1550 . 1 1 135 135 TRP HB2 H 1 2.653 0.005 . . . . . . 135 TRP HB2 . 6742 1 1551 . 1 1 135 135 TRP HB3 H 1 3.439 0.005 . . . . . . 135 TRP HB3 . 6742 1 1552 . 1 1 135 135 TRP HD1 H 1 7.544 0.012 . . . . . . 135 TRP HD1 . 6742 1 1553 . 1 1 135 135 TRP HE1 H 1 9.533 0.008 . . . . . . 135 TRP HE1 . 6742 1 1554 . 1 1 135 135 TRP HE3 H 1 7.120 0.011 . . . . . . 135 TRP HE3 . 6742 1 1555 . 1 1 135 135 TRP HZ2 H 1 7.491 0.000 . . . . . . 135 TRP HZ2 . 6742 1 1556 . 1 1 135 135 TRP CB C 13 31.016 0.054 . . . . . . 135 TRP CB . 6742 1 1557 . 1 1 135 135 TRP CD1 C 13 126.090 0.166 . . . . . . 135 TRP CD1 . 6742 1 1558 . 1 1 135 135 TRP CE3 C 13 118.507 0.000 . . . . . . 135 TRP CE3 . 6742 1 1559 . 1 1 135 135 TRP NE1 N 15 126.733 0.038 . . . . . . 135 TRP NE1 . 6742 1 1560 . 1 1 136 136 PHE H H 1 8.932 0.008 . . . . . . 136 PHE HN . 6742 1 1561 . 1 1 136 136 PHE HA H 1 5.198 0.012 . . . . . . 136 PHE HA . 6742 1 1562 . 1 1 136 136 PHE HB2 H 1 2.776 0.003 . . . . . . 136 PHE HB2 . 6742 1 1563 . 1 1 136 136 PHE HB3 H 1 2.576 0.013 . . . . . . 136 PHE HB3 . 6742 1 1564 . 1 1 136 136 PHE HD1 H 1 6.949 0.006 . . . . . . 136 PHE QD . 6742 1 1565 . 1 1 136 136 PHE HD2 H 1 6.949 0.006 . . . . . . 136 PHE QD . 6742 1 1566 . 1 1 136 136 PHE HE1 H 1 7.231 0.011 . . . . . . 136 PHE QE . 6742 1 1567 . 1 1 136 136 PHE HE2 H 1 7.231 0.011 . . . . . . 136 PHE QE . 6742 1 1568 . 1 1 136 136 PHE C C 13 174.816 0.001 . . . . . . 136 PHE C . 6742 1 1569 . 1 1 136 136 PHE CA C 13 57.397 0.098 . . . . . . 136 PHE CA . 6742 1 1570 . 1 1 136 136 PHE CB C 13 43.438 0.105 . . . . . . 136 PHE CB . 6742 1 1571 . 1 1 136 136 PHE N N 15 116.299 0.001 . . . . . . 136 PHE N . 6742 1 1572 . 1 1 137 137 ASN H H 1 9.737 0.008 . . . . . . 137 ASN HN . 6742 1 1573 . 1 1 137 137 ASN HA H 1 4.888 0.008 . . . . . . 137 ASN HA . 6742 1 1574 . 1 1 137 137 ASN HB2 H 1 3.222 0.015 . . . . . . 137 ASN HB2 . 6742 1 1575 . 1 1 137 137 ASN HB3 H 1 2.602 0.008 . . . . . . 137 ASN HB3 . 6742 1 1576 . 1 1 137 137 ASN HD21 H 1 7.454 0.005 . . . . . . 137 ASN HD21 . 6742 1 1577 . 1 1 137 137 ASN HD22 H 1 7.812 0.006 . . . . . . 137 ASN HD22 . 6742 1 1578 . 1 1 137 137 ASN C C 13 175.467 0.067 . . . . . . 137 ASN C . 6742 1 1579 . 1 1 137 137 ASN CA C 13 53.321 0.041 . . . . . . 137 ASN CA . 6742 1 1580 . 1 1 137 137 ASN CB C 13 38.680 0.063 . . . . . . 137 ASN CB . 6742 1 1581 . 1 1 137 137 ASN N N 15 120.641 0.063 . . . . . . 137 ASN N . 6742 1 1582 . 1 1 137 137 ASN ND2 N 15 109.036 0.127 . . . . . . 137 ASN ND2 . 6742 1 1583 . 1 1 138 138 LEU H H 1 8.657 0.007 . . . . . . 138 LEU HN . 6742 1 1584 . 1 1 138 138 LEU HA H 1 4.727 0.007 . . . . . . 138 LEU HA . 6742 1 1585 . 1 1 138 138 LEU HB2 H 1 1.981 0.008 . . . . . . 138 LEU HB2 . 6742 1 1586 . 1 1 138 138 LEU HB3 H 1 1.772 0.022 . . . . . . 138 LEU HB3 . 6742 1 1587 . 1 1 138 138 LEU HG H 1 1.783 0.015 . . . . . . 138 LEU HG . 6742 1 1588 . 1 1 138 138 LEU HD11 H 1 1.001 0.004 . . . . . . 138 LEU QD1 . 6742 1 1589 . 1 1 138 138 LEU HD12 H 1 1.001 0.004 . . . . . . 138 LEU QD1 . 6742 1 1590 . 1 1 138 138 LEU HD13 H 1 1.001 0.004 . . . . . . 138 LEU QD1 . 6742 1 1591 . 1 1 138 138 LEU HD21 H 1 0.798 0.005 . . . . . . 138 LEU QD2 . 6742 1 1592 . 1 1 138 138 LEU HD22 H 1 0.798 0.005 . . . . . . 138 LEU QD2 . 6742 1 1593 . 1 1 138 138 LEU HD23 H 1 0.798 0.005 . . . . . . 138 LEU QD2 . 6742 1 1594 . 1 1 138 138 LEU C C 13 178.838 0.004 . . . . . . 138 LEU C . 6742 1 1595 . 1 1 138 138 LEU CA C 13 52.856 0.169 . . . . . . 138 LEU CA . 6742 1 1596 . 1 1 138 138 LEU CB C 13 41.633 0.023 . . . . . . 138 LEU CB . 6742 1 1597 . 1 1 138 138 LEU CG C 13 26.864 0.000 . . . . . . 138 LEU CG . 6742 1 1598 . 1 1 138 138 LEU CD1 C 13 28.493 0.048 . . . . . . 138 LEU CD1 . 6742 1 1599 . 1 1 138 138 LEU CD2 C 13 24.036 0.004 . . . . . . 138 LEU CD2 . 6742 1 1600 . 1 1 138 138 LEU N N 15 122.523 0.052 . . . . . . 138 LEU N . 6742 1 1601 . 1 1 139 139 ASN H H 1 8.827 0.004 . . . . . . 139 ASN HN . 6742 1 1602 . 1 1 139 139 ASN HA H 1 4.757 0.007 . . . . . . 139 ASN HA . 6742 1 1603 . 1 1 139 139 ASN HB2 H 1 3.207 0.006 . . . . . . 139 ASN HB2 . 6742 1 1604 . 1 1 139 139 ASN HB3 H 1 2.697 0.015 . . . . . . 139 ASN HB3 . 6742 1 1605 . 1 1 139 139 ASN C C 13 178.133 0.000 . . . . . . 139 ASN C . 6742 1 1606 . 1 1 139 139 ASN CA C 13 56.049 0.016 . . . . . . 139 ASN CA . 6742 1 1607 . 1 1 139 139 ASN CB C 13 37.355 0.022 . . . . . . 139 ASN CB . 6742 1 1608 . 1 1 139 139 ASN N N 15 121.970 0.024 . . . . . . 139 ASN N . 6742 1 1609 . 1 1 140 140 SER H H 1 8.421 0.008 . . . . . . 140 SER HN . 6742 1 1610 . 1 1 140 140 SER C C 13 174.686 0.000 . . . . . . 140 SER C . 6742 1 1611 . 1 1 140 140 SER CA C 13 60.451 0.000 . . . . . . 140 SER CA . 6742 1 1612 . 1 1 140 140 SER N N 15 124.483 0.053 . . . . . . 140 SER N . 6742 1 1613 . 1 1 141 141 LEU H H 1 7.689 0.006 . . . . . . 141 LEU HN . 6742 1 1614 . 1 1 141 141 LEU HA H 1 4.431 0.007 . . . . . . 141 LEU HA . 6742 1 1615 . 1 1 141 141 LEU HB2 H 1 1.578 0.008 . . . . . . 141 LEU HB2 . 6742 1 1616 . 1 1 141 141 LEU HB3 H 1 1.366 0.006 . . . . . . 141 LEU HB3 . 6742 1 1617 . 1 1 141 141 LEU HG H 1 1.612 0.010 . . . . . . 141 LEU HG . 6742 1 1618 . 1 1 141 141 LEU HD11 H 1 0.571 0.005 . . . . . . 141 LEU QD1 . 6742 1 1619 . 1 1 141 141 LEU HD12 H 1 0.571 0.005 . . . . . . 141 LEU QD1 . 6742 1 1620 . 1 1 141 141 LEU HD13 H 1 0.571 0.005 . . . . . . 141 LEU QD1 . 6742 1 1621 . 1 1 141 141 LEU HD21 H 1 0.802 0.007 . . . . . . 141 LEU QD2 . 6742 1 1622 . 1 1 141 141 LEU HD22 H 1 0.802 0.007 . . . . . . 141 LEU QD2 . 6742 1 1623 . 1 1 141 141 LEU HD23 H 1 0.802 0.007 . . . . . . 141 LEU QD2 . 6742 1 1624 . 1 1 141 141 LEU C C 13 177.450 0.030 . . . . . . 141 LEU C . 6742 1 1625 . 1 1 141 141 LEU CA C 13 55.529 0.046 . . . . . . 141 LEU CA . 6742 1 1626 . 1 1 141 141 LEU CB C 13 42.639 0.058 . . . . . . 141 LEU CB . 6742 1 1627 . 1 1 141 141 LEU CD1 C 13 25.261 0.041 . . . . . . 141 LEU CD1 . 6742 1 1628 . 1 1 141 141 LEU CD2 C 13 23.109 0.001 . . . . . . 141 LEU CD2 . 6742 1 1629 . 1 1 141 141 LEU N N 15 121.484 0.025 . . . . . . 141 LEU N . 6742 1 1630 . 1 1 142 142 LEU H H 1 7.118 0.006 . . . . . . 142 LEU HN . 6742 1 1631 . 1 1 142 142 LEU HA H 1 4.525 0.009 . . . . . . 142 LEU HA . 6742 1 1632 . 1 1 142 142 LEU HB2 H 1 1.863 0.006 . . . . . . 142 LEU HB2 . 6742 1 1633 . 1 1 142 142 LEU HB3 H 1 1.825 0.008 . . . . . . 142 LEU HB3 . 6742 1 1634 . 1 1 142 142 LEU HG H 1 1.401 0.013 . . . . . . 142 LEU HG . 6742 1 1635 . 1 1 142 142 LEU HD11 H 1 0.834 0.007 . . . . . . 142 LEU QD1 . 6742 1 1636 . 1 1 142 142 LEU HD12 H 1 0.834 0.007 . . . . . . 142 LEU QD1 . 6742 1 1637 . 1 1 142 142 LEU HD13 H 1 0.834 0.007 . . . . . . 142 LEU QD1 . 6742 1 1638 . 1 1 142 142 LEU HD21 H 1 0.884 0.006 . . . . . . 142 LEU QD2 . 6742 1 1639 . 1 1 142 142 LEU HD22 H 1 0.884 0.006 . . . . . . 142 LEU QD2 . 6742 1 1640 . 1 1 142 142 LEU HD23 H 1 0.884 0.006 . . . . . . 142 LEU QD2 . 6742 1 1641 . 1 1 142 142 LEU C C 13 177.629 0.035 . . . . . . 142 LEU C . 6742 1 1642 . 1 1 142 142 LEU CA C 13 54.072 0.038 . . . . . . 142 LEU CA . 6742 1 1643 . 1 1 142 142 LEU CB C 13 44.017 0.047 . . . . . . 142 LEU CB . 6742 1 1644 . 1 1 142 142 LEU CD1 C 13 21.789 0.064 . . . . . . 142 LEU CD1 . 6742 1 1645 . 1 1 142 142 LEU CD2 C 13 25.159 0.054 . . . . . . 142 LEU CD2 . 6742 1 1646 . 1 1 142 142 LEU N N 15 118.098 0.053 . . . . . . 142 LEU N . 6742 1 1647 . 1 1 143 143 THR H H 1 8.555 0.004 . . . . . . 143 THR HN . 6742 1 1648 . 1 1 143 143 THR HA H 1 4.030 0.006 . . . . . . 143 THR HA . 6742 1 1649 . 1 1 143 143 THR HB H 1 4.321 0.008 . . . . . . 143 THR HB . 6742 1 1650 . 1 1 143 143 THR HG21 H 1 1.266 0.008 . . . . . . 143 THR QG2 . 6742 1 1651 . 1 1 143 143 THR HG22 H 1 1.266 0.008 . . . . . . 143 THR QG2 . 6742 1 1652 . 1 1 143 143 THR HG23 H 1 1.266 0.008 . . . . . . 143 THR QG2 . 6742 1 1653 . 1 1 143 143 THR C C 13 174.817 0.057 . . . . . . 143 THR C . 6742 1 1654 . 1 1 143 143 THR CA C 13 63.964 0.078 . . . . . . 143 THR CA . 6742 1 1655 . 1 1 143 143 THR CB C 13 69.130 0.040 . . . . . . 143 THR CB . 6742 1 1656 . 1 1 143 143 THR CG2 C 13 22.315 0.037 . . . . . . 143 THR CG2 . 6742 1 1657 . 1 1 143 143 THR N N 15 110.273 0.049 . . . . . . 143 THR N . 6742 1 1658 . 1 1 144 144 GLY H H 1 7.307 0.005 . . . . . . 144 GLY HN . 6742 1 1659 . 1 1 144 144 GLY HA2 H 1 3.986 0.008 . . . . . . 144 GLY HA1 . 6742 1 1660 . 1 1 144 144 GLY HA3 H 1 3.762 0.006 . . . . . . 144 GLY HA2 . 6742 1 1661 . 1 1 144 144 GLY CA C 13 44.588 0.087 . . . . . . 144 GLY CA . 6742 1 1662 . 1 1 144 144 GLY N N 15 107.712 0.048 . . . . . . 144 GLY N . 6742 1 1663 . 1 1 145 145 PRO HA H 1 4.120 0.000 . . . . . . 145 PRO HA . 6742 1 1664 . 1 1 145 145 PRO HB2 H 1 1.744 0.000 . . . . . . 145 PRO HB2 . 6742 1 1665 . 1 1 145 145 PRO HB3 H 1 1.693 0.006 . . . . . . 145 PRO HB3 . 6742 1 1666 . 1 1 145 145 PRO HG2 H 1 1.816 0.006 . . . . . . 145 PRO HG2 . 6742 1 1667 . 1 1 145 145 PRO HG3 H 1 1.342 0.012 . . . . . . 145 PRO HG3 . 6742 1 1668 . 1 1 145 145 PRO HD2 H 1 3.242 0.012 . . . . . . 145 PRO QD . 6742 1 1669 . 1 1 145 145 PRO HD3 H 1 3.242 0.012 . . . . . . 145 PRO QD . 6742 1 1670 . 1 1 145 145 PRO CB C 13 33.060 0.000 . . . . . . 145 PRO CB . 6742 1 1671 . 1 1 145 145 PRO CG C 13 27.934 0.041 . . . . . . 145 PRO CG . 6742 1 1672 . 1 1 145 145 PRO CD C 13 49.036 0.066 . . . . . . 145 PRO CD . 6742 1 1673 . 1 1 146 146 GLU HA H 1 4.812 0.006 . . . . . . 146 GLU HA . 6742 1 1674 . 1 1 146 146 GLU HB2 H 1 2.023 0.004 . . . . . . 146 GLU HB2 . 6742 1 1675 . 1 1 146 146 GLU HB3 H 1 1.881 0.004 . . . . . . 146 GLU HB3 . 6742 1 1676 . 1 1 146 146 GLU HG2 H 1 2.366 0.004 . . . . . . 146 GLU HG2 . 6742 1 1677 . 1 1 146 146 GLU HG3 H 1 2.135 0.017 . . . . . . 146 GLU HG3 . 6742 1 1678 . 1 1 146 146 GLU C C 13 175.106 0.001 . . . . . . 146 GLU C . 6742 1 1679 . 1 1 146 146 GLU CA C 13 54.735 0.043 . . . . . . 146 GLU CA . 6742 1 1680 . 1 1 146 146 GLU CB C 13 33.334 0.092 . . . . . . 146 GLU CB . 6742 1 1681 . 1 1 146 146 GLU CG C 13 36.654 0.155 . . . . . . 146 GLU CG . 6742 1 1682 . 1 1 147 147 LEU H H 1 8.668 0.009 . . . . . . 147 LEU HN . 6742 1 1683 . 1 1 147 147 LEU HA H 1 4.017 0.016 . . . . . . 147 LEU HA . 6742 1 1684 . 1 1 147 147 LEU HB2 H 1 1.327 0.007 . . . . . . 147 LEU HB2 . 6742 1 1685 . 1 1 147 147 LEU HB3 H 1 1.532 0.003 . . . . . . 147 LEU HB3 . 6742 1 1686 . 1 1 147 147 LEU HG H 1 1.194 0.003 . . . . . . 147 LEU HG . 6742 1 1687 . 1 1 147 147 LEU HD11 H 1 0.686 0.005 . . . . . . 147 LEU QD1 . 6742 1 1688 . 1 1 147 147 LEU HD12 H 1 0.686 0.005 . . . . . . 147 LEU QD1 . 6742 1 1689 . 1 1 147 147 LEU HD13 H 1 0.686 0.005 . . . . . . 147 LEU QD1 . 6742 1 1690 . 1 1 147 147 LEU HD21 H 1 0.616 0.006 . . . . . . 147 LEU QD2 . 6742 1 1691 . 1 1 147 147 LEU HD22 H 1 0.616 0.006 . . . . . . 147 LEU QD2 . 6742 1 1692 . 1 1 147 147 LEU HD23 H 1 0.616 0.006 . . . . . . 147 LEU QD2 . 6742 1 1693 . 1 1 147 147 LEU C C 13 176.390 0.006 . . . . . . 147 LEU C . 6742 1 1694 . 1 1 147 147 LEU CA C 13 56.059 0.046 . . . . . . 147 LEU CA . 6742 1 1695 . 1 1 147 147 LEU CB C 13 43.239 0.113 . . . . . . 147 LEU CB . 6742 1 1696 . 1 1 147 147 LEU CG C 13 27.652 0.029 . . . . . . 147 LEU CG . 6742 1 1697 . 1 1 147 147 LEU CD1 C 13 26.220 0.058 . . . . . . 147 LEU CD1 . 6742 1 1698 . 1 1 147 147 LEU CD2 C 13 24.497 0.034 . . . . . . 147 LEU CD2 . 6742 1 1699 . 1 1 147 147 LEU N N 15 128.507 0.055 . . . . . . 147 LEU N . 6742 1 1700 . 1 1 148 148 ILE H H 1 8.596 0.012 . . . . . . 148 ILE HN . 6742 1 1701 . 1 1 148 148 ILE HA H 1 4.127 0.020 . . . . . . 148 ILE HA . 6742 1 1702 . 1 1 148 148 ILE HB H 1 1.431 0.008 . . . . . . 148 ILE HB . 6742 1 1703 . 1 1 148 148 ILE HG12 H 1 1.251 0.007 . . . . . . 148 ILE HG12 . 6742 1 1704 . 1 1 148 148 ILE HG13 H 1 0.703 0.012 . . . . . . 148 ILE HG13 . 6742 1 1705 . 1 1 148 148 ILE HG21 H 1 0.655 0.008 . . . . . . 148 ILE QG2 . 6742 1 1706 . 1 1 148 148 ILE HG22 H 1 0.655 0.008 . . . . . . 148 ILE QG2 . 6742 1 1707 . 1 1 148 148 ILE HG23 H 1 0.655 0.008 . . . . . . 148 ILE QG2 . 6742 1 1708 . 1 1 148 148 ILE HD11 H 1 0.214 0.006 . . . . . . 148 ILE QD1 . 6742 1 1709 . 1 1 148 148 ILE HD12 H 1 0.214 0.006 . . . . . . 148 ILE QD1 . 6742 1 1710 . 1 1 148 148 ILE HD13 H 1 0.214 0.006 . . . . . . 148 ILE QD1 . 6742 1 1711 . 1 1 148 148 ILE C C 13 174.674 0.005 . . . . . . 148 ILE C . 6742 1 1712 . 1 1 148 148 ILE CA C 13 59.626 0.090 . . . . . . 148 ILE CA . 6742 1 1713 . 1 1 148 148 ILE CB C 13 39.878 0.063 . . . . . . 148 ILE CB . 6742 1 1714 . 1 1 148 148 ILE CG1 C 13 26.502 0.056 . . . . . . 148 ILE CG1 . 6742 1 1715 . 1 1 148 148 ILE CG2 C 13 16.931 0.071 . . . . . . 148 ILE CG2 . 6742 1 1716 . 1 1 148 148 ILE CD1 C 13 14.154 0.060 . . . . . . 148 ILE CD1 . 6742 1 1717 . 1 1 148 148 ILE N N 15 128.464 0.056 . . . . . . 148 ILE N . 6742 1 1718 . 1 1 149 149 SER H H 1 8.826 0.007 . . . . . . 149 SER HN . 6742 1 1719 . 1 1 149 149 SER HA H 1 4.324 0.017 . . . . . . 149 SER HA . 6742 1 1720 . 1 1 149 149 SER HB2 H 1 4.084 0.011 . . . . . . 149 SER HB2 . 6742 1 1721 . 1 1 149 149 SER HB3 H 1 3.870 0.014 . . . . . . 149 SER HB3 . 6742 1 1722 . 1 1 149 149 SER C C 13 175.725 0.000 . . . . . . 149 SER C . 6742 1 1723 . 1 1 149 149 SER CA C 13 58.931 0.044 . . . . . . 149 SER CA . 6742 1 1724 . 1 1 149 149 SER CB C 13 63.718 0.123 . . . . . . 149 SER CB . 6742 1 1725 . 1 1 149 149 SER N N 15 122.018 0.027 . . . . . . 149 SER N . 6742 1 1726 . 1 1 150 150 ASP H H 1 9.096 0.010 . . . . . . 150 ASP HN . 6742 1 1727 . 1 1 150 150 ASP HA H 1 4.330 0.008 . . . . . . 150 ASP HA . 6742 1 1728 . 1 1 150 150 ASP HB2 H 1 2.809 0.015 . . . . . . 150 ASP QB . 6742 1 1729 . 1 1 150 150 ASP HB3 H 1 2.809 0.015 . . . . . . 150 ASP QB . 6742 1 1730 . 1 1 150 150 ASP C C 13 178.356 0.004 . . . . . . 150 ASP C . 6742 1 1731 . 1 1 150 150 ASP CA C 13 58.260 0.069 . . . . . . 150 ASP CA . 6742 1 1732 . 1 1 150 150 ASP CB C 13 40.384 0.078 . . . . . . 150 ASP CB . 6742 1 1733 . 1 1 150 150 ASP N N 15 126.106 0.074 . . . . . . 150 ASP N . 6742 1 1734 . 1 1 151 151 THR H H 1 7.801 0.015 . . . . . . 151 THR HN . 6742 1 1735 . 1 1 151 151 THR HA H 1 4.141 0.014 . . . . . . 151 THR HA . 6742 1 1736 . 1 1 151 151 THR HB H 1 4.317 0.006 . . . . . . 151 THR HB . 6742 1 1737 . 1 1 151 151 THR HG21 H 1 1.262 0.007 . . . . . . 151 THR QG2 . 6742 1 1738 . 1 1 151 151 THR HG22 H 1 1.262 0.007 . . . . . . 151 THR QG2 . 6742 1 1739 . 1 1 151 151 THR HG23 H 1 1.262 0.007 . . . . . . 151 THR QG2 . 6742 1 1740 . 1 1 151 151 THR C C 13 174.750 0.000 . . . . . . 151 THR C . 6742 1 1741 . 1 1 151 151 THR CA C 13 63.471 0.076 . . . . . . 151 THR CA . 6742 1 1742 . 1 1 151 151 THR CB C 13 69.169 0.115 . . . . . . 151 THR CB . 6742 1 1743 . 1 1 151 151 THR CG2 C 13 22.336 0.022 . . . . . . 151 THR CG2 . 6742 1 1744 . 1 1 151 151 THR N N 15 107.014 0.058 . . . . . . 151 THR N . 6742 1 1745 . 1 1 152 152 TYR H H 1 7.876 0.014 . . . . . . 152 TYR HN . 6742 1 1746 . 1 1 152 152 TYR HA H 1 4.799 0.011 . . . . . . 152 TYR HA . 6742 1 1747 . 1 1 152 152 TYR HB2 H 1 2.962 0.022 . . . . . . 152 TYR HB2 . 6742 1 1748 . 1 1 152 152 TYR HB3 H 1 3.046 0.008 . . . . . . 152 TYR HB3 . 6742 1 1749 . 1 1 152 152 TYR HD1 H 1 7.100 0.009 . . . . . . 152 TYR QD . 6742 1 1750 . 1 1 152 152 TYR HD2 H 1 7.100 0.009 . . . . . . 152 TYR QD . 6742 1 1751 . 1 1 152 152 TYR HE1 H 1 6.742 0.006 . . . . . . 152 TYR QE . 6742 1 1752 . 1 1 152 152 TYR HE2 H 1 6.742 0.006 . . . . . . 152 TYR QE . 6742 1 1753 . 1 1 152 152 TYR C C 13 175.238 0.018 . . . . . . 152 TYR C . 6742 1 1754 . 1 1 152 152 TYR CA C 13 57.000 0.070 . . . . . . 152 TYR CA . 6742 1 1755 . 1 1 152 152 TYR CB C 13 41.220 0.055 . . . . . . 152 TYR CB . 6742 1 1756 . 1 1 152 152 TYR CD1 C 13 133.355 0.080 . . . . . . 152 TYR CD1 . 6742 1 1757 . 1 1 152 152 TYR CE1 C 13 117.611 0.002 . . . . . . 152 TYR CE1 . 6742 1 1758 . 1 1 152 152 TYR N N 15 122.064 0.080 . . . . . . 152 TYR N . 6742 1 1759 . 1 1 153 153 LEU H H 1 7.013 0.011 . . . . . . 153 LEU HN . 6742 1 1760 . 1 1 153 153 LEU HA H 1 3.490 0.008 . . . . . . 153 LEU HA . 6742 1 1761 . 1 1 153 153 LEU HB2 H 1 1.396 0.012 . . . . . . 153 LEU HB2 . 6742 1 1762 . 1 1 153 153 LEU HB3 H 1 0.846 0.016 . . . . . . 153 LEU HB3 . 6742 1 1763 . 1 1 153 153 LEU HG H 1 0.650 0.007 . . . . . . 153 LEU HG . 6742 1 1764 . 1 1 153 153 LEU HD11 H 1 -0.690 0.008 . . . . . . 153 LEU QD1 . 6742 1 1765 . 1 1 153 153 LEU HD12 H 1 -0.690 0.008 . . . . . . 153 LEU QD1 . 6742 1 1766 . 1 1 153 153 LEU HD13 H 1 -0.690 0.008 . . . . . . 153 LEU QD1 . 6742 1 1767 . 1 1 153 153 LEU HD21 H 1 0.040 0.009 . . . . . . 153 LEU QD2 . 6742 1 1768 . 1 1 153 153 LEU HD22 H 1 0.040 0.009 . . . . . . 153 LEU QD2 . 6742 1 1769 . 1 1 153 153 LEU HD23 H 1 0.040 0.009 . . . . . . 153 LEU QD2 . 6742 1 1770 . 1 1 153 153 LEU C C 13 176.560 0.016 . . . . . . 153 LEU C . 6742 1 1771 . 1 1 153 153 LEU CA C 13 59.547 0.083 . . . . . . 153 LEU CA . 6742 1 1772 . 1 1 153 153 LEU CB C 13 41.376 0.109 . . . . . . 153 LEU CB . 6742 1 1773 . 1 1 153 153 LEU CG C 13 26.477 0.180 . . . . . . 153 LEU CG . 6742 1 1774 . 1 1 153 153 LEU CD1 C 13 24.119 0.049 . . . . . . 153 LEU CD1 . 6742 1 1775 . 1 1 153 153 LEU CD2 C 13 22.030 0.067 . . . . . . 153 LEU CD2 . 6742 1 1776 . 1 1 153 153 LEU N N 15 120.217 0.043 . . . . . . 153 LEU N . 6742 1 1777 . 1 1 154 154 ALA H H 1 8.853 0.008 . . . . . . 154 ALA HN . 6742 1 1778 . 1 1 154 154 ALA HA H 1 3.659 0.011 . . . . . . 154 ALA HA . 6742 1 1779 . 1 1 154 154 ALA HB1 H 1 1.343 0.004 . . . . . . 154 ALA QB . 6742 1 1780 . 1 1 154 154 ALA HB2 H 1 1.343 0.004 . . . . . . 154 ALA QB . 6742 1 1781 . 1 1 154 154 ALA HB3 H 1 1.343 0.004 . . . . . . 154 ALA QB . 6742 1 1782 . 1 1 154 154 ALA C C 13 180.281 0.003 . . . . . . 154 ALA C . 6742 1 1783 . 1 1 154 154 ALA CA C 13 55.900 0.082 . . . . . . 154 ALA CA . 6742 1 1784 . 1 1 154 154 ALA CB C 13 17.841 0.036 . . . . . . 154 ALA CB . 6742 1 1785 . 1 1 154 154 ALA N N 15 117.409 0.042 . . . . . . 154 ALA N . 6742 1 1786 . 1 1 155 155 LEU H H 1 7.326 0.005 . . . . . . 155 LEU HN . 6742 1 1787 . 1 1 155 155 LEU HA H 1 3.991 0.010 . . . . . . 155 LEU HA . 6742 1 1788 . 1 1 155 155 LEU HB2 H 1 1.522 0.023 . . . . . . 155 LEU QB . 6742 1 1789 . 1 1 155 155 LEU HB3 H 1 1.522 0.023 . . . . . . 155 LEU QB . 6742 1 1790 . 1 1 155 155 LEU HG H 1 1.628 0.006 . . . . . . 155 LEU HG . 6742 1 1791 . 1 1 155 155 LEU HD11 H 1 0.908 0.005 . . . . . . 155 LEU QD1 . 6742 1 1792 . 1 1 155 155 LEU HD12 H 1 0.908 0.005 . . . . . . 155 LEU QD1 . 6742 1 1793 . 1 1 155 155 LEU HD13 H 1 0.908 0.005 . . . . . . 155 LEU QD1 . 6742 1 1794 . 1 1 155 155 LEU HD21 H 1 0.990 0.003 . . . . . . 155 LEU QD2 . 6742 1 1795 . 1 1 155 155 LEU HD22 H 1 0.990 0.003 . . . . . . 155 LEU QD2 . 6742 1 1796 . 1 1 155 155 LEU HD23 H 1 0.990 0.003 . . . . . . 155 LEU QD2 . 6742 1 1797 . 1 1 155 155 LEU C C 13 178.374 0.008 . . . . . . 155 LEU C . 6742 1 1798 . 1 1 155 155 LEU CA C 13 57.706 0.056 . . . . . . 155 LEU CA . 6742 1 1799 . 1 1 155 155 LEU CB C 13 41.569 0.084 . . . . . . 155 LEU CB . 6742 1 1800 . 1 1 155 155 LEU CG C 13 27.646 0.089 . . . . . . 155 LEU CG . 6742 1 1801 . 1 1 155 155 LEU CD1 C 13 24.160 0.057 . . . . . . 155 LEU CD1 . 6742 1 1802 . 1 1 155 155 LEU CD2 C 13 24.899 0.047 . . . . . . 155 LEU CD2 . 6742 1 1803 . 1 1 155 155 LEU N N 15 120.407 0.029 . . . . . . 155 LEU N . 6742 1 1804 . 1 1 156 156 PHE H H 1 8.331 0.007 . . . . . . 156 PHE HN . 6742 1 1805 . 1 1 156 156 PHE HA H 1 3.940 0.010 . . . . . . 156 PHE HA . 6742 1 1806 . 1 1 156 156 PHE HB2 H 1 2.887 0.014 . . . . . . 156 PHE HB2 . 6742 1 1807 . 1 1 156 156 PHE HB3 H 1 2.387 0.013 . . . . . . 156 PHE HB3 . 6742 1 1808 . 1 1 156 156 PHE HD1 H 1 6.970 0.014 . . . . . . 156 PHE QD . 6742 1 1809 . 1 1 156 156 PHE HD2 H 1 6.970 0.014 . . . . . . 156 PHE QD . 6742 1 1810 . 1 1 156 156 PHE HE1 H 1 7.182 0.009 . . . . . . 156 PHE QE . 6742 1 1811 . 1 1 156 156 PHE HE2 H 1 7.182 0.009 . . . . . . 156 PHE QE . 6742 1 1812 . 1 1 156 156 PHE HZ H 1 7.255 0.002 . . . . . . 156 PHE HZ . 6742 1 1813 . 1 1 156 156 PHE C C 13 177.399 0.005 . . . . . . 156 PHE C . 6742 1 1814 . 1 1 156 156 PHE CA C 13 60.538 0.059 . . . . . . 156 PHE CA . 6742 1 1815 . 1 1 156 156 PHE CB C 13 38.501 0.078 . . . . . . 156 PHE CB . 6742 1 1816 . 1 1 156 156 PHE CD1 C 13 131.297 0.032 . . . . . . 156 PHE CD1 . 6742 1 1817 . 1 1 156 156 PHE CE1 C 13 131.185 0.056 . . . . . . 156 PHE CE1 . 6742 1 1818 . 1 1 156 156 PHE CZ C 13 129.508 0.014 . . . . . . 156 PHE CZ . 6742 1 1819 . 1 1 156 156 PHE N N 15 122.723 0.055 . . . . . . 156 PHE N . 6742 1 1820 . 1 1 157 157 LEU H H 1 7.907 0.008 . . . . . . 157 LEU HN . 6742 1 1821 . 1 1 157 157 LEU HA H 1 3.380 0.009 . . . . . . 157 LEU HA . 6742 1 1822 . 1 1 157 157 LEU HB2 H 1 1.473 0.012 . . . . . . 157 LEU HB2 . 6742 1 1823 . 1 1 157 157 LEU HB3 H 1 0.574 0.018 . . . . . . 157 LEU HB3 . 6742 1 1824 . 1 1 157 157 LEU HG H 1 1.383 0.017 . . . . . . 157 LEU HG . 6742 1 1825 . 1 1 157 157 LEU HD11 H 1 -0.567 0.008 . . . . . . 157 LEU QD1 . 6742 1 1826 . 1 1 157 157 LEU HD12 H 1 -0.567 0.008 . . . . . . 157 LEU QD1 . 6742 1 1827 . 1 1 157 157 LEU HD13 H 1 -0.567 0.008 . . . . . . 157 LEU QD1 . 6742 1 1828 . 1 1 157 157 LEU HD21 H 1 -0.172 0.009 . . . . . . 157 LEU QD2 . 6742 1 1829 . 1 1 157 157 LEU HD22 H 1 -0.172 0.009 . . . . . . 157 LEU QD2 . 6742 1 1830 . 1 1 157 157 LEU HD23 H 1 -0.172 0.009 . . . . . . 157 LEU QD2 . 6742 1 1831 . 1 1 157 157 LEU C C 13 178.837 0.003 . . . . . . 157 LEU C . 6742 1 1832 . 1 1 157 157 LEU CA C 13 57.802 0.156 . . . . . . 157 LEU CA . 6742 1 1833 . 1 1 157 157 LEU CB C 13 41.040 0.074 . . . . . . 157 LEU CB . 6742 1 1834 . 1 1 157 157 LEU CG C 13 25.840 0.047 . . . . . . 157 LEU CG . 6742 1 1835 . 1 1 157 157 LEU CD1 C 13 24.845 0.084 . . . . . . 157 LEU CD1 . 6742 1 1836 . 1 1 157 157 LEU CD2 C 13 20.281 0.056 . . . . . . 157 LEU CD2 . 6742 1 1837 . 1 1 157 157 LEU N N 15 116.779 0.068 . . . . . . 157 LEU N . 6742 1 1838 . 1 1 158 158 ALA H H 1 7.661 0.007 . . . . . . 158 ALA HN . 6742 1 1839 . 1 1 158 158 ALA HA H 1 4.073 0.015 . . . . . . 158 ALA HA . 6742 1 1840 . 1 1 158 158 ALA HB1 H 1 1.462 0.007 . . . . . . 158 ALA QB . 6742 1 1841 . 1 1 158 158 ALA HB2 H 1 1.462 0.007 . . . . . . 158 ALA QB . 6742 1 1842 . 1 1 158 158 ALA HB3 H 1 1.462 0.007 . . . . . . 158 ALA QB . 6742 1 1843 . 1 1 158 158 ALA C C 13 180.885 0.008 . . . . . . 158 ALA C . 6742 1 1844 . 1 1 158 158 ALA CA C 13 55.339 0.072 . . . . . . 158 ALA CA . 6742 1 1845 . 1 1 158 158 ALA CB C 13 18.217 0.133 . . . . . . 158 ALA CB . 6742 1 1846 . 1 1 158 158 ALA N N 15 120.737 0.065 . . . . . . 158 ALA N . 6742 1 1847 . 1 1 159 159 GLN H H 1 8.347 0.009 . . . . . . 159 GLN HN . 6742 1 1848 . 1 1 159 159 GLN HA H 1 3.903 0.014 . . . . . . 159 GLN HA . 6742 1 1849 . 1 1 159 159 GLN HB2 H 1 2.176 0.010 . . . . . . 159 GLN HB2 . 6742 1 1850 . 1 1 159 159 GLN HB3 H 1 2.029 0.010 . . . . . . 159 GLN HB3 . 6742 1 1851 . 1 1 159 159 GLN HG2 H 1 2.445 0.008 . . . . . . 159 GLN HG2 . 6742 1 1852 . 1 1 159 159 GLN HG3 H 1 2.278 0.015 . . . . . . 159 GLN HG3 . 6742 1 1853 . 1 1 159 159 GLN HE21 H 1 6.828 0.003 . . . . . . 159 GLN HE21 . 6742 1 1854 . 1 1 159 159 GLN HE22 H 1 7.618 0.004 . . . . . . 159 GLN HE22 . 6742 1 1855 . 1 1 159 159 GLN C C 13 178.707 0.011 . . . . . . 159 GLN C . 6742 1 1856 . 1 1 159 159 GLN CA C 13 59.062 0.052 . . . . . . 159 GLN CA . 6742 1 1857 . 1 1 159 159 GLN CB C 13 27.856 0.098 . . . . . . 159 GLN CB . 6742 1 1858 . 1 1 159 159 GLN CG C 13 34.049 0.042 . . . . . . 159 GLN CG . 6742 1 1859 . 1 1 159 159 GLN N N 15 120.494 0.023 . . . . . . 159 GLN N . 6742 1 1860 . 1 1 159 159 GLN NE2 N 15 111.296 0.033 . . . . . . 159 GLN NE2 . 6742 1 1861 . 1 1 160 160 LEU H H 1 7.652 0.005 . . . . . . 160 LEU HN . 6742 1 1862 . 1 1 160 160 LEU HA H 1 3.759 0.015 . . . . . . 160 LEU HA . 6742 1 1863 . 1 1 160 160 LEU HB2 H 1 1.542 0.024 . . . . . . 160 LEU HB2 . 6742 1 1864 . 1 1 160 160 LEU HB3 H 1 0.637 0.019 . . . . . . 160 LEU HB3 . 6742 1 1865 . 1 1 160 160 LEU HG H 1 0.965 0.014 . . . . . . 160 LEU HG . 6742 1 1866 . 1 1 160 160 LEU HD11 H 1 0.068 0.012 . . . . . . 160 LEU QD1 . 6742 1 1867 . 1 1 160 160 LEU HD12 H 1 0.068 0.012 . . . . . . 160 LEU QD1 . 6742 1 1868 . 1 1 160 160 LEU HD13 H 1 0.068 0.012 . . . . . . 160 LEU QD1 . 6742 1 1869 . 1 1 160 160 LEU HD21 H 1 0.092 0.013 . . . . . . 160 LEU QD2 . 6742 1 1870 . 1 1 160 160 LEU HD22 H 1 0.092 0.013 . . . . . . 160 LEU QD2 . 6742 1 1871 . 1 1 160 160 LEU HD23 H 1 0.092 0.013 . . . . . . 160 LEU QD2 . 6742 1 1872 . 1 1 160 160 LEU C C 13 180.274 0.004 . . . . . . 160 LEU C . 6742 1 1873 . 1 1 160 160 LEU CA C 13 57.773 0.083 . . . . . . 160 LEU CA . 6742 1 1874 . 1 1 160 160 LEU CB C 13 41.127 0.101 . . . . . . 160 LEU CB . 6742 1 1875 . 1 1 160 160 LEU CG C 13 26.037 0.077 . . . . . . 160 LEU CG . 6742 1 1876 . 1 1 160 160 LEU CD1 C 13 21.734 0.054 . . . . . . 160 LEU CD1 . 6742 1 1877 . 1 1 160 160 LEU CD2 C 13 27.172 0.092 . . . . . . 160 LEU CD2 . 6742 1 1878 . 1 1 160 160 LEU N N 15 119.304 0.045 . . . . . . 160 LEU N . 6742 1 1879 . 1 1 161 161 GLN H H 1 7.893 0.007 . . . . . . 161 GLN HN . 6742 1 1880 . 1 1 161 161 GLN HA H 1 4.375 0.077 . . . . . . 161 GLN HA . 6742 1 1881 . 1 1 161 161 GLN HB2 H 1 2.164 0.008 . . . . . . 161 GLN QB . 6742 1 1882 . 1 1 161 161 GLN HB3 H 1 2.164 0.008 . . . . . . 161 GLN QB . 6742 1 1883 . 1 1 161 161 GLN HG2 H 1 2.476 0.013 . . . . . . 161 GLN HG2 . 6742 1 1884 . 1 1 161 161 GLN HG3 H 1 2.242 0.006 . . . . . . 161 GLN HG3 . 6742 1 1885 . 1 1 161 161 GLN HE21 H 1 6.845 0.002 . . . . . . 161 GLN HE21 . 6742 1 1886 . 1 1 161 161 GLN HE22 H 1 7.149 0.002 . . . . . . 161 GLN HE22 . 6742 1 1887 . 1 1 161 161 GLN C C 13 180.512 0.012 . . . . . . 161 GLN C . 6742 1 1888 . 1 1 161 161 GLN CA C 13 59.533 0.036 . . . . . . 161 GLN CA . 6742 1 1889 . 1 1 161 161 GLN CB C 13 29.605 0.056 . . . . . . 161 GLN CB . 6742 1 1890 . 1 1 161 161 GLN CG C 13 35.599 0.104 . . . . . . 161 GLN CG . 6742 1 1891 . 1 1 161 161 GLN N N 15 119.253 0.044 . . . . . . 161 GLN N . 6742 1 1892 . 1 1 161 161 GLN NE2 N 15 109.599 0.022 . . . . . . 161 GLN NE2 . 6742 1 1893 . 1 1 162 162 GLN H H 1 8.047 0.011 . . . . . . 162 GLN HN . 6742 1 1894 . 1 1 162 162 GLN HA H 1 4.041 0.014 . . . . . . 162 GLN HA . 6742 1 1895 . 1 1 162 162 GLN HB2 H 1 2.223 0.011 . . . . . . 162 GLN QB . 6742 1 1896 . 1 1 162 162 GLN HB3 H 1 2.223 0.011 . . . . . . 162 GLN QB . 6742 1 1897 . 1 1 162 162 GLN HG2 H 1 2.454 0.006 . . . . . . 162 GLN QG . 6742 1 1898 . 1 1 162 162 GLN HG3 H 1 2.454 0.006 . . . . . . 162 GLN QG . 6742 1 1899 . 1 1 162 162 GLN HE21 H 1 7.431 0.001 . . . . . . 162 GLN HE21 . 6742 1 1900 . 1 1 162 162 GLN HE22 H 1 6.788 0.001 . . . . . . 162 GLN HE22 . 6742 1 1901 . 1 1 162 162 GLN C C 13 177.699 0.000 . . . . . . 162 GLN C . 6742 1 1902 . 1 1 162 162 GLN CA C 13 58.804 0.101 . . . . . . 162 GLN CA . 6742 1 1903 . 1 1 162 162 GLN CB C 13 28.355 0.110 . . . . . . 162 GLN CB . 6742 1 1904 . 1 1 162 162 GLN CG C 13 34.147 0.022 . . . . . . 162 GLN CG . 6742 1 1905 . 1 1 162 162 GLN N N 15 121.295 0.062 . . . . . . 162 GLN N . 6742 1 1906 . 1 1 162 162 GLN NE2 N 15 111.634 0.027 . . . . . . 162 GLN NE2 . 6742 1 1907 . 1 1 163 163 GLU H H 1 7.643 0.005 . . . . . . 163 GLU HN . 6742 1 1908 . 1 1 163 163 GLU HA H 1 4.181 0.008 . . . . . . 163 GLU HA . 6742 1 1909 . 1 1 163 163 GLU HB2 H 1 2.217 0.014 . . . . . . 163 GLU QB . 6742 1 1910 . 1 1 163 163 GLU HB3 H 1 2.217 0.014 . . . . . . 163 GLU QB . 6742 1 1911 . 1 1 163 163 GLU HG2 H 1 2.456 0.012 . . . . . . 163 GLU QG . 6742 1 1912 . 1 1 163 163 GLU HG3 H 1 2.456 0.012 . . . . . . 163 GLU QG . 6742 1 1913 . 1 1 163 163 GLU C C 13 175.819 0.000 . . . . . . 163 GLU C . 6742 1 1914 . 1 1 163 163 GLU CA C 13 57.166 0.083 . . . . . . 163 GLU CA . 6742 1 1915 . 1 1 163 163 GLU CB C 13 30.127 0.065 . . . . . . 163 GLU CB . 6742 1 1916 . 1 1 163 163 GLU CG C 13 36.635 0.093 . . . . . . 163 GLU CG . 6742 1 1917 . 1 1 163 163 GLU N N 15 117.790 0.035 . . . . . . 163 GLU N . 6742 1 1918 . 1 1 164 164 GLY H H 1 7.511 0.006 . . . . . . 164 GLY HN . 6742 1 1919 . 1 1 164 164 GLY HA2 H 1 4.174 0.002 . . . . . . 164 GLY HA1 . 6742 1 1920 . 1 1 164 164 GLY HA3 H 1 3.569 0.005 . . . . . . 164 GLY HA2 . 6742 1 1921 . 1 1 164 164 GLY C C 13 174.924 0.000 . . . . . . 164 GLY C . 6742 1 1922 . 1 1 164 164 GLY CA C 13 44.839 0.087 . . . . . . 164 GLY CA . 6742 1 1923 . 1 1 164 164 GLY N N 15 103.985 0.082 . . . . . . 164 GLY N . 6742 1 1924 . 1 1 165 165 TYR H H 1 8.144 0.006 . . . . . . 165 TYR HN . 6742 1 1925 . 1 1 165 165 TYR HA H 1 4.409 0.009 . . . . . . 165 TYR HA . 6742 1 1926 . 1 1 165 165 TYR HB2 H 1 2.499 0.002 . . . . . . 165 TYR QB . 6742 1 1927 . 1 1 165 165 TYR HB3 H 1 2.499 0.002 . . . . . . 165 TYR QB . 6742 1 1928 . 1 1 165 165 TYR HD1 H 1 6.854 0.018 . . . . . . 165 TYR QD . 6742 1 1929 . 1 1 165 165 TYR HD2 H 1 6.854 0.018 . . . . . . 165 TYR QD . 6742 1 1930 . 1 1 165 165 TYR HE1 H 1 6.757 0.017 . . . . . . 165 TYR QE . 6742 1 1931 . 1 1 165 165 TYR HE2 H 1 6.757 0.017 . . . . . . 165 TYR QE . 6742 1 1932 . 1 1 165 165 TYR C C 13 177.361 0.019 . . . . . . 165 TYR C . 6742 1 1933 . 1 1 165 165 TYR CA C 13 59.682 0.031 . . . . . . 165 TYR CA . 6742 1 1934 . 1 1 165 165 TYR CB C 13 38.833 0.040 . . . . . . 165 TYR CB . 6742 1 1935 . 1 1 165 165 TYR CD1 C 13 133.425 0.011 . . . . . . 165 TYR CD1 . 6742 1 1936 . 1 1 165 165 TYR CE1 C 13 118.630 0.027 . . . . . . 165 TYR CE1 . 6742 1 1937 . 1 1 165 165 TYR N N 15 119.611 0.041 . . . . . . 165 TYR N . 6742 1 1938 . 1 1 166 166 SER H H 1 9.221 0.006 . . . . . . 166 SER HN . 6742 1 1939 . 1 1 166 166 SER HA H 1 4.592 0.004 . . . . . . 166 SER HA . 6742 1 1940 . 1 1 166 166 SER HB2 H 1 3.708 0.008 . . . . . . 166 SER HB2 . 6742 1 1941 . 1 1 166 166 SER HB3 H 1 3.458 0.006 . . . . . . 166 SER HB3 . 6742 1 1942 . 1 1 166 166 SER C C 13 172.458 0.027 . . . . . . 166 SER C . 6742 1 1943 . 1 1 166 166 SER CA C 13 58.530 0.101 . . . . . . 166 SER CA . 6742 1 1944 . 1 1 166 166 SER CB C 13 64.784 0.089 . . . . . . 166 SER CB . 6742 1 1945 . 1 1 166 166 SER N N 15 117.430 0.042 . . . . . . 166 SER N . 6742 1 1946 . 1 1 167 167 ILE H H 1 8.303 0.007 . . . . . . 167 ILE HN . 6742 1 1947 . 1 1 167 167 ILE HA H 1 4.474 0.006 . . . . . . 167 ILE HA . 6742 1 1948 . 1 1 167 167 ILE HB H 1 1.571 0.022 . . . . . . 167 ILE HB . 6742 1 1949 . 1 1 167 167 ILE HG12 H 1 1.071 0.008 . . . . . . 167 ILE HG12 . 6742 1 1950 . 1 1 167 167 ILE HG13 H 1 0.868 0.016 . . . . . . 167 ILE HG13 . 6742 1 1951 . 1 1 167 167 ILE HG21 H 1 0.395 0.008 . . . . . . 167 ILE QG2 . 6742 1 1952 . 1 1 167 167 ILE HG22 H 1 0.395 0.008 . . . . . . 167 ILE QG2 . 6742 1 1953 . 1 1 167 167 ILE HG23 H 1 0.395 0.008 . . . . . . 167 ILE QG2 . 6742 1 1954 . 1 1 167 167 ILE HD11 H 1 0.435 0.010 . . . . . . 167 ILE QD1 . 6742 1 1955 . 1 1 167 167 ILE HD12 H 1 0.435 0.010 . . . . . . 167 ILE QD1 . 6742 1 1956 . 1 1 167 167 ILE HD13 H 1 0.435 0.010 . . . . . . 167 ILE QD1 . 6742 1 1957 . 1 1 167 167 ILE C C 13 173.394 0.016 . . . . . . 167 ILE C . 6742 1 1958 . 1 1 167 167 ILE CA C 13 59.817 0.062 . . . . . . 167 ILE CA . 6742 1 1959 . 1 1 167 167 ILE CB C 13 38.653 0.000 . . . . . . 167 ILE CB . 6742 1 1960 . 1 1 167 167 ILE CG1 C 13 27.020 0.028 . . . . . . 167 ILE CG1 . 6742 1 1961 . 1 1 167 167 ILE CG2 C 13 17.949 0.033 . . . . . . 167 ILE CG2 . 6742 1 1962 . 1 1 167 167 ILE CD1 C 13 13.988 0.082 . . . . . . 167 ILE CD1 . 6742 1 1963 . 1 1 167 167 ILE N N 15 124.786 0.037 . . . . . . 167 ILE N . 6742 1 1964 . 1 1 168 168 PHE H H 1 9.805 0.010 . . . . . . 168 PHE HN . 6742 1 1965 . 1 1 168 168 PHE HA H 1 5.266 0.010 . . . . . . 168 PHE HA . 6742 1 1966 . 1 1 168 168 PHE HB2 H 1 2.977 0.005 . . . . . . 168 PHE HB2 . 6742 1 1967 . 1 1 168 168 PHE HB3 H 1 2.764 0.010 . . . . . . 168 PHE HB3 . 6742 1 1968 . 1 1 168 168 PHE HD1 H 1 7.016 0.006 . . . . . . 168 PHE QD . 6742 1 1969 . 1 1 168 168 PHE HD2 H 1 7.016 0.006 . . . . . . 168 PHE QD . 6742 1 1970 . 1 1 168 168 PHE HE1 H 1 7.248 0.001 . . . . . . 168 PHE QE . 6742 1 1971 . 1 1 168 168 PHE HE2 H 1 7.248 0.001 . . . . . . 168 PHE QE . 6742 1 1972 . 1 1 168 168 PHE HZ H 1 7.387 0.000 . . . . . . 168 PHE HZ . 6742 1 1973 . 1 1 168 168 PHE C C 13 175.543 0.007 . . . . . . 168 PHE C . 6742 1 1974 . 1 1 168 168 PHE CA C 13 56.313 0.109 . . . . . . 168 PHE CA . 6742 1 1975 . 1 1 168 168 PHE CB C 13 41.800 0.011 . . . . . . 168 PHE CB . 6742 1 1976 . 1 1 168 168 PHE CD1 C 13 131.670 0.037 . . . . . . 168 PHE CD1 . 6742 1 1977 . 1 1 168 168 PHE CE1 C 13 131.619 0.027 . . . . . . 168 PHE CE1 . 6742 1 1978 . 1 1 168 168 PHE CZ C 13 129.971 0.000 . . . . . . 168 PHE CZ . 6742 1 1979 . 1 1 168 168 PHE N N 15 126.001 0.077 . . . . . . 168 PHE N . 6742 1 1980 . 1 1 169 169 VAL H H 1 9.822 0.004 . . . . . . 169 VAL HN . 6742 1 1981 . 1 1 169 169 VAL HA H 1 4.096 0.015 . . . . . . 169 VAL HA . 6742 1 1982 . 1 1 169 169 VAL HB H 1 1.824 0.008 . . . . . . 169 VAL HB . 6742 1 1983 . 1 1 169 169 VAL HG11 H 1 0.765 0.008 . . . . . . 169 VAL QG1 . 6742 1 1984 . 1 1 169 169 VAL HG12 H 1 0.765 0.008 . . . . . . 169 VAL QG1 . 6742 1 1985 . 1 1 169 169 VAL HG13 H 1 0.765 0.008 . . . . . . 169 VAL QG1 . 6742 1 1986 . 1 1 169 169 VAL HG21 H 1 0.799 0.004 . . . . . . 169 VAL QG2 . 6742 1 1987 . 1 1 169 169 VAL HG22 H 1 0.799 0.004 . . . . . . 169 VAL QG2 . 6742 1 1988 . 1 1 169 169 VAL HG23 H 1 0.799 0.004 . . . . . . 169 VAL QG2 . 6742 1 1989 . 1 1 169 169 VAL C C 13 175.339 0.047 . . . . . . 169 VAL C . 6742 1 1990 . 1 1 169 169 VAL CA C 13 62.396 0.020 . . . . . . 169 VAL CA . 6742 1 1991 . 1 1 169 169 VAL CB C 13 33.436 0.050 . . . . . . 169 VAL CB . 6742 1 1992 . 1 1 169 169 VAL CG1 C 13 21.256 0.000 . . . . . . 169 VAL CG1 . 6742 1 1993 . 1 1 169 169 VAL N N 15 124.778 0.041 . . . . . . 169 VAL N . 6742 1 1994 . 1 1 170 170 VAL H H 1 7.882 0.005 . . . . . . 170 VAL HN . 6742 1 1995 . 1 1 170 170 VAL HA H 1 4.530 0.005 . . . . . . 170 VAL HA . 6742 1 1996 . 1 1 170 170 VAL HB H 1 2.088 0.008 . . . . . . 170 VAL HB . 6742 1 1997 . 1 1 170 170 VAL HG11 H 1 0.731 0.007 . . . . . . 170 VAL QG1 . 6742 1 1998 . 1 1 170 170 VAL HG12 H 1 0.731 0.007 . . . . . . 170 VAL QG1 . 6742 1 1999 . 1 1 170 170 VAL HG13 H 1 0.731 0.007 . . . . . . 170 VAL QG1 . 6742 1 2000 . 1 1 170 170 VAL HG21 H 1 0.739 0.010 . . . . . . 170 VAL QG2 . 6742 1 2001 . 1 1 170 170 VAL HG22 H 1 0.739 0.010 . . . . . . 170 VAL QG2 . 6742 1 2002 . 1 1 170 170 VAL HG23 H 1 0.739 0.010 . . . . . . 170 VAL QG2 . 6742 1 2003 . 1 1 170 170 VAL C C 13 175.868 0.000 . . . . . . 170 VAL C . 6742 1 2004 . 1 1 170 170 VAL CA C 13 62.015 0.071 . . . . . . 170 VAL CA . 6742 1 2005 . 1 1 170 170 VAL CB C 13 31.288 0.023 . . . . . . 170 VAL CB . 6742 1 2006 . 1 1 170 170 VAL CG1 C 13 22.920 0.081 . . . . . . 170 VAL CG1 . 6742 1 2007 . 1 1 170 170 VAL CG2 C 13 21.306 0.075 . . . . . . 170 VAL CG2 . 6742 1 2008 . 1 1 170 170 VAL N N 15 126.514 0.036 . . . . . . 170 VAL N . 6742 1 2009 . 1 1 171 171 LYS H H 1 9.414 0.005 . . . . . . 171 LYS HN . 6742 1 2010 . 1 1 171 171 LYS HA H 1 4.766 0.008 . . . . . . 171 LYS HA . 6742 1 2011 . 1 1 171 171 LYS HB2 H 1 1.817 0.010 . . . . . . 171 LYS HB2 . 6742 1 2012 . 1 1 171 171 LYS HB3 H 1 1.699 0.008 . . . . . . 171 LYS HB3 . 6742 1 2013 . 1 1 171 171 LYS HG2 H 1 1.300 0.037 . . . . . . 171 LYS HG2 . 6742 1 2014 . 1 1 171 171 LYS HG3 H 1 1.494 0.006 . . . . . . 171 LYS HG3 . 6742 1 2015 . 1 1 171 171 LYS HD2 H 1 1.712 0.006 . . . . . . 171 LYS QD . 6742 1 2016 . 1 1 171 171 LYS HD3 H 1 1.712 0.006 . . . . . . 171 LYS QD . 6742 1 2017 . 1 1 171 171 LYS HE2 H 1 3.026 0.006 . . . . . . 171 LYS HE2 . 6742 1 2018 . 1 1 171 171 LYS HE3 H 1 2.947 0.006 . . . . . . 171 LYS HE3 . 6742 1 2019 . 1 1 171 171 LYS C C 13 175.188 0.039 . . . . . . 171 LYS C . 6742 1 2020 . 1 1 171 171 LYS CA C 13 54.310 0.100 . . . . . . 171 LYS CA . 6742 1 2021 . 1 1 171 171 LYS CB C 13 34.706 0.037 . . . . . . 171 LYS CB . 6742 1 2022 . 1 1 171 171 LYS CG C 13 24.391 0.060 . . . . . . 171 LYS CG . 6742 1 2023 . 1 1 171 171 LYS CD C 13 29.100 0.000 . . . . . . 171 LYS CD . 6742 1 2024 . 1 1 171 171 LYS CE C 13 42.220 0.001 . . . . . . 171 LYS CE . 6742 1 2025 . 1 1 171 171 LYS N N 15 130.357 0.076 . . . . . . 171 LYS N . 6742 1 2026 . 1 1 172 172 GLY H H 1 8.288 0.005 . . . . . . 172 GLY HN . 6742 1 2027 . 1 1 172 172 GLY HA2 H 1 4.723 0.009 . . . . . . 172 GLY HA1 . 6742 1 2028 . 1 1 172 172 GLY HA3 H 1 3.709 0.006 . . . . . . 172 GLY HA2 . 6742 1 2029 . 1 1 172 172 GLY C C 13 172.683 0.000 . . . . . . 172 GLY C . 6742 1 2030 . 1 1 172 172 GLY CA C 13 43.734 0.055 . . . . . . 172 GLY CA . 6742 1 2031 . 1 1 172 172 GLY N N 15 111.666 0.061 . . . . . . 172 GLY N . 6742 1 2032 . 1 1 173 173 ASP H H 1 8.373 0.005 . . . . . . 173 ASP HN . 6742 1 2033 . 1 1 173 173 ASP HA H 1 4.603 0.001 . . . . . . 173 ASP HA . 6742 1 2034 . 1 1 173 173 ASP HB2 H 1 2.615 0.006 . . . . . . 173 ASP HB2 . 6742 1 2035 . 1 1 173 173 ASP HB3 H 1 2.503 0.011 . . . . . . 173 ASP HB3 . 6742 1 2036 . 1 1 173 173 ASP C C 13 175.173 0.024 . . . . . . 173 ASP C . 6742 1 2037 . 1 1 173 173 ASP CA C 13 54.644 0.053 . . . . . . 173 ASP CA . 6742 1 2038 . 1 1 173 173 ASP CB C 13 40.844 0.067 . . . . . . 173 ASP CB . 6742 1 2039 . 1 1 173 173 ASP N N 15 119.321 0.038 . . . . . . 173 ASP N . 6742 1 2040 . 1 1 174 174 LEU H H 1 7.810 0.006 . . . . . . 174 LEU HN . 6742 1 2041 . 1 1 174 174 LEU HA H 1 4.343 0.009 . . . . . . 174 LEU HA . 6742 1 2042 . 1 1 174 174 LEU HB2 H 1 1.518 0.012 . . . . . . 174 LEU QB . 6742 1 2043 . 1 1 174 174 LEU HB3 H 1 1.518 0.012 . . . . . . 174 LEU QB . 6742 1 2044 . 1 1 174 174 LEU HG H 1 1.630 0.000 . . . . . . 174 LEU HG . 6742 1 2045 . 1 1 174 174 LEU HD11 H 1 0.733 0.009 . . . . . . 174 LEU QD1 . 6742 1 2046 . 1 1 174 174 LEU HD12 H 1 0.733 0.009 . . . . . . 174 LEU QD1 . 6742 1 2047 . 1 1 174 174 LEU HD13 H 1 0.733 0.009 . . . . . . 174 LEU QD1 . 6742 1 2048 . 1 1 174 174 LEU HD21 H 1 0.787 0.012 . . . . . . 174 LEU QD2 . 6742 1 2049 . 1 1 174 174 LEU HD22 H 1 0.787 0.012 . . . . . . 174 LEU QD2 . 6742 1 2050 . 1 1 174 174 LEU HD23 H 1 0.787 0.012 . . . . . . 174 LEU QD2 . 6742 1 2051 . 1 1 174 174 LEU C C 13 174.528 0.000 . . . . . . 174 LEU C . 6742 1 2052 . 1 1 174 174 LEU CA C 13 53.305 0.062 . . . . . . 174 LEU CA . 6742 1 2053 . 1 1 174 174 LEU CB C 13 41.226 0.146 . . . . . . 174 LEU CB . 6742 1 2054 . 1 1 174 174 LEU CG C 13 27.000 0.000 . . . . . . 174 LEU CG . 6742 1 2055 . 1 1 174 174 LEU CD1 C 13 24.351 0.117 . . . . . . 174 LEU CD1 . 6742 1 2056 . 1 1 174 174 LEU CD2 C 13 25.424 0.080 . . . . . . 174 LEU CD2 . 6742 1 2057 . 1 1 174 174 LEU N N 15 125.837 0.048 . . . . . . 174 LEU N . 6742 1 2058 . 1 1 175 175 PRO HA H 1 4.511 0.008 . . . . . . 175 PRO HA . 6742 1 2059 . 1 1 175 175 PRO HB2 H 1 2.464 0.010 . . . . . . 175 PRO HB2 . 6742 1 2060 . 1 1 175 175 PRO HB3 H 1 1.945 0.008 . . . . . . 175 PRO HB3 . 6742 1 2061 . 1 1 175 175 PRO HG2 H 1 1.911 0.027 . . . . . . 175 PRO QG . 6742 1 2062 . 1 1 175 175 PRO HG3 H 1 1.911 0.027 . . . . . . 175 PRO QG . 6742 1 2063 . 1 1 175 175 PRO HD2 H 1 3.836 0.006 . . . . . . 175 PRO HD2 . 6742 1 2064 . 1 1 175 175 PRO HD3 H 1 3.427 0.004 . . . . . . 175 PRO HD3 . 6742 1 2065 . 1 1 175 175 PRO C C 13 177.083 0.010 . . . . . . 175 PRO C . 6742 1 2066 . 1 1 175 175 PRO CA C 13 63.094 0.046 . . . . . . 175 PRO CA . 6742 1 2067 . 1 1 175 175 PRO CB C 13 31.987 0.019 . . . . . . 175 PRO CB . 6742 1 2068 . 1 1 175 175 PRO CG C 13 27.901 0.000 . . . . . . 175 PRO CG . 6742 1 2069 . 1 1 175 175 PRO CD C 13 50.237 0.079 . . . . . . 175 PRO CD . 6742 1 2070 . 1 1 176 176 ASP H H 1 8.787 0.009 . . . . . . 176 ASP HN . 6742 1 2071 . 1 1 176 176 ASP HA H 1 4.666 0.031 . . . . . . 176 ASP HA . 6742 1 2072 . 1 1 176 176 ASP HB2 H 1 2.648 0.010 . . . . . . 176 ASP HB2 . 6742 1 2073 . 1 1 176 176 ASP HB3 H 1 2.580 0.012 . . . . . . 176 ASP HB3 . 6742 1 2074 . 1 1 176 176 ASP C C 13 175.682 0.001 . . . . . . 176 ASP C . 6742 1 2075 . 1 1 176 176 ASP CA C 13 55.324 0.060 . . . . . . 176 ASP CA . 6742 1 2076 . 1 1 176 176 ASP CB C 13 41.346 0.107 . . . . . . 176 ASP CB . 6742 1 2077 . 1 1 176 176 ASP N N 15 123.489 0.052 . . . . . . 176 ASP N . 6742 1 2078 . 1 1 177 177 CYS H H 1 8.391 0.011 . . . . . . 177 CYS HN . 6742 1 2079 . 1 1 177 177 CYS HA H 1 5.064 0.012 . . . . . . 177 CYS HA . 6742 1 2080 . 1 1 177 177 CYS HB2 H 1 3.288 0.008 . . . . . . 177 CYS HB2 . 6742 1 2081 . 1 1 177 177 CYS HB3 H 1 3.198 0.013 . . . . . . 177 CYS HB3 . 6742 1 2082 . 1 1 177 177 CYS C C 13 174.380 0.072 . . . . . . 177 CYS C . 6742 1 2083 . 1 1 177 177 CYS CA C 13 56.520 0.095 . . . . . . 177 CYS CA . 6742 1 2084 . 1 1 177 177 CYS CB C 13 32.143 0.109 . . . . . . 177 CYS CB . 6742 1 2085 . 1 1 177 177 CYS N N 15 114.845 0.052 . . . . . . 177 CYS N . 6742 1 2086 . 1 1 178 178 GLU H H 1 9.014 0.007 . . . . . . 178 GLU HN . 6742 1 2087 . 1 1 178 178 GLU HA H 1 4.067 0.009 . . . . . . 178 GLU HA . 6742 1 2088 . 1 1 178 178 GLU HB2 H 1 2.131 0.089 . . . . . . 178 GLU QB . 6742 1 2089 . 1 1 178 178 GLU HB3 H 1 2.131 0.089 . . . . . . 178 GLU QB . 6742 1 2090 . 1 1 178 178 GLU HG2 H 1 2.309 0.011 . . . . . . 178 GLU QG . 6742 1 2091 . 1 1 178 178 GLU HG3 H 1 2.309 0.011 . . . . . . 178 GLU QG . 6742 1 2092 . 1 1 178 178 GLU C C 13 178.669 0.029 . . . . . . 178 GLU C . 6742 1 2093 . 1 1 178 178 GLU CA C 13 59.695 0.063 . . . . . . 178 GLU CA . 6742 1 2094 . 1 1 178 178 GLU CB C 13 30.346 0.004 . . . . . . 178 GLU CB . 6742 1 2095 . 1 1 178 178 GLU CG C 13 36.645 0.000 . . . . . . 178 GLU CG . 6742 1 2096 . 1 1 178 178 GLU N N 15 122.780 0.061 . . . . . . 178 GLU N . 6742 1 2097 . 1 1 179 179 ALA H H 1 8.732 0.008 . . . . . . 179 ALA HN . 6742 1 2098 . 1 1 179 179 ALA HA H 1 4.082 0.006 . . . . . . 179 ALA HA . 6742 1 2099 . 1 1 179 179 ALA HB1 H 1 1.353 0.008 . . . . . . 179 ALA QB . 6742 1 2100 . 1 1 179 179 ALA HB2 H 1 1.353 0.008 . . . . . . 179 ALA QB . 6742 1 2101 . 1 1 179 179 ALA HB3 H 1 1.353 0.008 . . . . . . 179 ALA QB . 6742 1 2102 . 1 1 179 179 ALA C C 13 178.305 0.018 . . . . . . 179 ALA C . 6742 1 2103 . 1 1 179 179 ALA CA C 13 55.196 0.036 . . . . . . 179 ALA CA . 6742 1 2104 . 1 1 179 179 ALA CB C 13 19.801 0.089 . . . . . . 179 ALA CB . 6742 1 2105 . 1 1 179 179 ALA N N 15 119.864 0.052 . . . . . . 179 ALA N . 6742 1 2106 . 1 1 180 180 ASP H H 1 7.523 0.004 . . . . . . 180 ASP HN . 6742 1 2107 . 1 1 180 180 ASP HA H 1 4.412 0.007 . . . . . . 180 ASP HA . 6742 1 2108 . 1 1 180 180 ASP HB2 H 1 2.836 0.007 . . . . . . 180 ASP HB2 . 6742 1 2109 . 1 1 180 180 ASP HB3 H 1 2.716 0.010 . . . . . . 180 ASP HB3 . 6742 1 2110 . 1 1 180 180 ASP C C 13 177.250 0.014 . . . . . . 180 ASP C . 6742 1 2111 . 1 1 180 180 ASP CA C 13 56.981 0.038 . . . . . . 180 ASP CA . 6742 1 2112 . 1 1 180 180 ASP CB C 13 42.340 0.043 . . . . . . 180 ASP CB . 6742 1 2113 . 1 1 180 180 ASP N N 15 116.140 0.040 . . . . . . 180 ASP N . 6742 1 2114 . 1 1 181 181 GLN H H 1 7.505 0.008 . . . . . . 181 GLN HN . 6742 1 2115 . 1 1 181 181 GLN HA H 1 4.182 0.010 . . . . . . 181 GLN HA . 6742 1 2116 . 1 1 181 181 GLN HB2 H 1 2.162 0.000 . . . . . . 181 GLN QB . 6742 1 2117 . 1 1 181 181 GLN HB3 H 1 2.162 0.000 . . . . . . 181 GLN QB . 6742 1 2118 . 1 1 181 181 GLN HG2 H 1 2.488 0.004 . . . . . . 181 GLN QG . 6742 1 2119 . 1 1 181 181 GLN HG3 H 1 2.488 0.004 . . . . . . 181 GLN QG . 6742 1 2120 . 1 1 181 181 GLN HE21 H 1 7.639 0.000 . . . . . . 181 GLN HE21 . 6742 1 2121 . 1 1 181 181 GLN HE22 H 1 6.783 0.000 . . . . . . 181 GLN HE22 . 6742 1 2122 . 1 1 181 181 GLN C C 13 178.222 0.004 . . . . . . 181 GLN C . 6742 1 2123 . 1 1 181 181 GLN CA C 13 57.761 0.016 . . . . . . 181 GLN CA . 6742 1 2124 . 1 1 181 181 GLN N N 15 115.907 0.091 . . . . . . 181 GLN N . 6742 1 2125 . 1 1 181 181 GLN NE2 N 15 112.400 0.000 . . . . . . 181 GLN NE2 . 6742 1 2126 . 1 1 182 182 LEU H H 1 8.209 0.005 . . . . . . 182 LEU HN . 6742 1 2127 . 1 1 182 182 LEU HA H 1 4.195 0.011 . . . . . . 182 LEU HA . 6742 1 2128 . 1 1 182 182 LEU HB2 H 1 1.734 0.008 . . . . . . 182 LEU HB2 . 6742 1 2129 . 1 1 182 182 LEU HB3 H 1 1.573 0.010 . . . . . . 182 LEU HB3 . 6742 1 2130 . 1 1 182 182 LEU HG H 1 1.601 0.000 . . . . . . 182 LEU HG . 6742 1 2131 . 1 1 182 182 LEU HD11 H 1 0.892 0.005 . . . . . . 182 LEU QD1 . 6742 1 2132 . 1 1 182 182 LEU HD12 H 1 0.892 0.005 . . . . . . 182 LEU QD1 . 6742 1 2133 . 1 1 182 182 LEU HD13 H 1 0.892 0.005 . . . . . . 182 LEU QD1 . 6742 1 2134 . 1 1 182 182 LEU HD21 H 1 0.858 0.014 . . . . . . 182 LEU QD2 . 6742 1 2135 . 1 1 182 182 LEU HD22 H 1 0.858 0.014 . . . . . . 182 LEU QD2 . 6742 1 2136 . 1 1 182 182 LEU HD23 H 1 0.858 0.014 . . . . . . 182 LEU QD2 . 6742 1 2137 . 1 1 182 182 LEU C C 13 179.056 0.032 . . . . . . 182 LEU C . 6742 1 2138 . 1 1 182 182 LEU CA C 13 57.440 0.087 . . . . . . 182 LEU CA . 6742 1 2139 . 1 1 182 182 LEU CB C 13 42.603 0.023 . . . . . . 182 LEU CB . 6742 1 2140 . 1 1 182 182 LEU CG C 13 27.544 0.000 . . . . . . 182 LEU CG . 6742 1 2141 . 1 1 182 182 LEU CD1 C 13 25.253 0.097 . . . . . . 182 LEU CD1 . 6742 1 2142 . 1 1 182 182 LEU CD2 C 13 23.943 0.018 . . . . . . 182 LEU CD2 . 6742 1 2143 . 1 1 182 182 LEU N N 15 120.368 0.034 . . . . . . 182 LEU N . 6742 1 2144 . 1 1 183 183 LEU H H 1 8.127 0.006 . . . . . . 183 LEU HN . 6742 1 2145 . 1 1 183 183 LEU HA H 1 4.430 0.009 . . . . . . 183 LEU HA . 6742 1 2146 . 1 1 183 183 LEU HB2 H 1 1.826 0.000 . . . . . . 183 LEU HB2 . 6742 1 2147 . 1 1 183 183 LEU HB3 H 1 1.729 0.010 . . . . . . 183 LEU HB3 . 6742 1 2148 . 1 1 183 183 LEU HD11 H 1 0.801 0.012 . . . . . . 183 LEU QD1 . 6742 1 2149 . 1 1 183 183 LEU HD12 H 1 0.801 0.012 . . . . . . 183 LEU QD1 . 6742 1 2150 . 1 1 183 183 LEU HD13 H 1 0.801 0.012 . . . . . . 183 LEU QD1 . 6742 1 2151 . 1 1 183 183 LEU HD21 H 1 0.850 0.000 . . . . . . 183 LEU QD2 . 6742 1 2152 . 1 1 183 183 LEU HD22 H 1 0.850 0.000 . . . . . . 183 LEU QD2 . 6742 1 2153 . 1 1 183 183 LEU HD23 H 1 0.850 0.000 . . . . . . 183 LEU QD2 . 6742 1 2154 . 1 1 183 183 LEU C C 13 177.927 0.004 . . . . . . 183 LEU C . 6742 1 2155 . 1 1 183 183 LEU CA C 13 56.477 0.069 . . . . . . 183 LEU CA . 6742 1 2156 . 1 1 183 183 LEU CB C 13 41.055 0.027 . . . . . . 183 LEU CB . 6742 1 2157 . 1 1 183 183 LEU CD1 C 13 25.793 0.024 . . . . . . 183 LEU CD1 . 6742 1 2158 . 1 1 183 183 LEU CD2 C 13 24.070 0.000 . . . . . . 183 LEU CD2 . 6742 1 2159 . 1 1 183 183 LEU N N 15 118.830 0.038 . . . . . . 183 LEU N . 6742 1 2160 . 1 1 184 184 GLN H H 1 7.739 0.007 . . . . . . 184 GLN HN . 6742 1 2161 . 1 1 184 184 GLN HA H 1 4.187 0.020 . . . . . . 184 GLN HA . 6742 1 2162 . 1 1 184 184 GLN HB2 H 1 2.054 0.000 . . . . . . 184 GLN HB2 . 6742 1 2163 . 1 1 184 184 GLN HB3 H 1 2.171 0.000 . . . . . . 184 GLN HB3 . 6742 1 2164 . 1 1 184 184 GLN HG2 H 1 2.526 0.019 . . . . . . 184 GLN QG . 6742 1 2165 . 1 1 184 184 GLN HG3 H 1 2.526 0.019 . . . . . . 184 GLN QG . 6742 1 2166 . 1 1 184 184 GLN C C 13 176.310 0.332 . . . . . . 184 GLN C . 6742 1 2167 . 1 1 184 184 GLN CA C 13 57.290 0.078 . . . . . . 184 GLN CA . 6742 1 2168 . 1 1 184 184 GLN CB C 13 29.471 0.000 . . . . . . 184 GLN CB . 6742 1 2169 . 1 1 184 184 GLN CG C 13 33.702 0.000 . . . . . . 184 GLN CG . 6742 1 2170 . 1 1 184 184 GLN N N 15 118.584 0.067 . . . . . . 184 GLN N . 6742 1 2171 . 1 1 185 185 MET H H 1 7.900 0.005 . . . . . . 185 MET HN . 6742 1 2172 . 1 1 185 185 MET HA H 1 4.486 0.004 . . . . . . 185 MET HA . 6742 1 2173 . 1 1 185 185 MET HB2 H 1 2.121 0.000 . . . . . . 185 MET QB . 6742 1 2174 . 1 1 185 185 MET HB3 H 1 2.121 0.000 . . . . . . 185 MET QB . 6742 1 2175 . 1 1 185 185 MET HG2 H 1 2.543 0.000 . . . . . . 185 MET QG . 6742 1 2176 . 1 1 185 185 MET HG3 H 1 2.543 0.000 . . . . . . 185 MET QG . 6742 1 2177 . 1 1 185 185 MET C C 13 175.960 0.000 . . . . . . 185 MET C . 6742 1 2178 . 1 1 185 185 MET CA C 13 56.003 0.013 . . . . . . 185 MET CA . 6742 1 2179 . 1 1 185 185 MET CB C 13 33.670 0.000 . . . . . . 185 MET CB . 6742 1 2180 . 1 1 185 185 MET N N 15 117.609 0.092 . . . . . . 185 MET N . 6742 1 2181 . 1 1 186 186 ILE H H 1 7.914 0.010 . . . . . . 186 ILE HN . 6742 1 2182 . 1 1 186 186 ILE HA H 1 4.230 0.017 . . . . . . 186 ILE HA . 6742 1 2183 . 1 1 186 186 ILE HB H 1 1.848 0.009 . . . . . . 186 ILE HB . 6742 1 2184 . 1 1 186 186 ILE HG12 H 1 1.458 0.011 . . . . . . 186 ILE HG12 . 6742 1 2185 . 1 1 186 186 ILE HG13 H 1 1.177 0.016 . . . . . . 186 ILE HG13 . 6742 1 2186 . 1 1 186 186 ILE HG21 H 1 0.877 0.012 . . . . . . 186 ILE QG2 . 6742 1 2187 . 1 1 186 186 ILE HG22 H 1 0.877 0.012 . . . . . . 186 ILE QG2 . 6742 1 2188 . 1 1 186 186 ILE HG23 H 1 0.877 0.012 . . . . . . 186 ILE QG2 . 6742 1 2189 . 1 1 186 186 ILE HD11 H 1 0.834 0.005 . . . . . . 186 ILE QD1 . 6742 1 2190 . 1 1 186 186 ILE HD12 H 1 0.834 0.005 . . . . . . 186 ILE QD1 . 6742 1 2191 . 1 1 186 186 ILE HD13 H 1 0.834 0.005 . . . . . . 186 ILE QD1 . 6742 1 2192 . 1 1 186 186 ILE C C 13 174.871 0.037 . . . . . . 186 ILE C . 6742 1 2193 . 1 1 186 186 ILE CA C 13 60.951 0.055 . . . . . . 186 ILE CA . 6742 1 2194 . 1 1 186 186 ILE CB C 13 39.695 0.131 . . . . . . 186 ILE CB . 6742 1 2195 . 1 1 186 186 ILE CG1 C 13 27.502 0.040 . . . . . . 186 ILE CG1 . 6742 1 2196 . 1 1 186 186 ILE CG2 C 13 17.688 0.044 . . . . . . 186 ILE CG2 . 6742 1 2197 . 1 1 186 186 ILE CD1 C 13 13.279 0.080 . . . . . . 186 ILE CD1 . 6742 1 2198 . 1 1 186 186 ILE N N 15 120.860 0.051 . . . . . . 186 ILE N . 6742 1 2199 . 1 1 187 187 ARG H H 1 8.222 0.006 . . . . . . 187 ARG HN . 6742 1 2200 . 1 1 187 187 ARG HA H 1 4.501 0.011 . . . . . . 187 ARG HA . 6742 1 2201 . 1 1 187 187 ARG HB2 H 1 1.721 0.000 . . . . . . 187 ARG HB2 . 6742 1 2202 . 1 1 187 187 ARG HG2 H 1 1.594 0.000 . . . . . . 187 ARG HG2 . 6742 1 2203 . 1 1 187 187 ARG HD2 H 1 3.186 0.004 . . . . . . 187 ARG HD2 . 6742 1 2204 . 1 1 187 187 ARG C C 13 176.407 0.012 . . . . . . 187 ARG C . 6742 1 2205 . 1 1 187 187 ARG CA C 13 55.462 0.046 . . . . . . 187 ARG CA . 6742 1 2206 . 1 1 187 187 ARG CB C 13 31.679 0.076 . . . . . . 187 ARG CB . 6742 1 2207 . 1 1 187 187 ARG CG C 13 27.507 0.007 . . . . . . 187 ARG CG . 6742 1 2208 . 1 1 187 187 ARG CD C 13 43.572 0.000 . . . . . . 187 ARG CD . 6742 1 2209 . 1 1 187 187 ARG N N 15 123.696 0.044 . . . . . . 187 ARG N . 6742 1 2210 . 1 1 188 188 VAL H H 1 8.691 0.013 . . . . . . 188 VAL HN . 6742 1 2211 . 1 1 188 188 VAL C C 13 175.973 0.000 . . . . . . 188 VAL C . 6742 1 2212 . 1 1 188 188 VAL CA C 13 62.668 0.018 . . . . . . 188 VAL CA . 6742 1 2213 . 1 1 188 188 VAL CB C 13 33.104 0.000 . . . . . . 188 VAL CB . 6742 1 2214 . 1 1 188 188 VAL N N 15 122.592 0.031 . . . . . . 188 VAL N . 6742 1 2215 . 1 1 189 189 GLN H H 1 8.504 0.004 . . . . . . 189 GLN HN . 6742 1 2216 . 1 1 189 189 GLN HA H 1 4.351 0.008 . . . . . . 189 GLN HA . 6742 1 2217 . 1 1 189 189 GLN HB2 H 1 2.356 0.000 . . . . . . 189 GLN HB2 . 6742 1 2218 . 1 1 189 189 GLN C C 13 174.550 0.004 . . . . . . 189 GLN C . 6742 1 2219 . 1 1 189 189 GLN CA C 13 56.014 0.019 . . . . . . 189 GLN CA . 6742 1 2220 . 1 1 189 189 GLN CB C 13 30.327 0.000 . . . . . . 189 GLN CB . 6742 1 2221 . 1 1 189 189 GLN CG C 13 34.035 0.000 . . . . . . 189 GLN CG . 6742 1 2222 . 1 1 189 189 GLN N N 15 124.936 0.033 . . . . . . 189 GLN N . 6742 1 2223 . 1 1 190 190 GLN H H 1 8.062 0.004 . . . . . . 190 GLN HN . 6742 1 2224 . 1 1 190 190 GLN HA H 1 4.143 0.009 . . . . . . 190 GLN HA . 6742 1 2225 . 1 1 190 190 GLN HB2 H 1 2.097 0.000 . . . . . . 190 GLN HB2 . 6742 1 2226 . 1 1 190 190 GLN HB3 H 1 1.939 0.000 . . . . . . 190 GLN HB3 . 6742 1 2227 . 1 1 190 190 GLN HG2 H 1 2.304 0.000 . . . . . . 190 GLN QG . 6742 1 2228 . 1 1 190 190 GLN HG3 H 1 2.304 0.000 . . . . . . 190 GLN QG . 6742 1 2229 . 1 1 190 190 GLN C C 13 180.411 0.000 . . . . . . 190 GLN C . 6742 1 2230 . 1 1 190 190 GLN CA C 13 57.728 0.055 . . . . . . 190 GLN CA . 6742 1 2231 . 1 1 190 190 GLN CB C 13 30.855 0.000 . . . . . . 190 GLN CB . 6742 1 2232 . 1 1 190 190 GLN N N 15 127.408 0.055 . . . . . . 190 GLN N . 6742 1 stop_ save_