data_7022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7022 _Entry.Title ; Letter to the Editor: 1H, 13C and 15N backbone resonance assignments of DUF589 domain from human HSPC144 protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-15 _Entry.Accession_date 2006-03-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yanhong Shi . . . 7022 2 Aixin Song . . . 7022 3 Yonggang Chang . . . 7022 4 Hongyu Hu . . . 7022 5 Donghai Lin . . . 7022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 606 7022 '15N chemical shifts' 151 7022 '1H chemical shifts' 871 7022 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-03-15 update BMRB 'complete entry citation' 7022 1 . . 2006-08-07 2006-03-15 original author 'original release' 7022 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16865415 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignments of the DUF589 domain from human HSPC144 protein. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 57 _Citation.Page_last 57 _Citation.Year 2006 _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 Yan-hong Shi . . . 7022 1 2 Ai-xin Song . . . 7022 1 3 Yong-gang Chang . . . 7022 1 4 Hong-yu Hu . . . 7022 1 5 Dong-hai Lin . . . 7022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7022 _Assembly.ID 1 _Assembly.Name DUF589_monomer _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 20734 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'DUF589 monomer' 1 $DUF589 . . yes native no no . . . 7022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DUF589 _Entity.Sf_category entity _Entity.Sf_framecode DUF589 _Entity.Entry_ID 7022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DUF589 _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 ; MSHWLMKSEPESRLEKGVDV KFSIEDLKAQPKQTTCWDGV RNYQARNFLRAMKLGEEAFF YHSNCKEPGIAGLMKIVKEA YPDHTQFEKNNPHYDPSSKE DNPKWSMVDVQFVRMMKRFI PLAELKSYHQAHKATGGPLK NMVLFTRQRLSIQPLTQEEF DFVLSLEELEHHHHHH ; _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 176 _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 20734 _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 PDB 3EOP . "Crystal Structure Of The Duf55 Domain Of Human Thymocyte Nuclear Protein 1" . . . . . 100.00 176 100.00 100.00 8.37e-129 . . . . 7022 1 2 no GB AAF29108 . "HSPC144 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.27e-122 . . . . 7022 1 3 no GB AAG14949 . "MDS012 [Homo sapiens]" . . . . . 60.23 166 100.00 100.00 3.65e-74 . . . . 7022 1 4 no GB AAG43118 . "My005 protein [Homo sapiens]" . . . . . 94.89 225 100.00 100.00 2.61e-122 . . . . 7022 1 5 no GB AAH06978 . "Thymocyte nuclear protein 1 [Homo sapiens]" . . . . . 60.23 166 100.00 100.00 3.65e-74 . . . . 7022 1 6 no GB AAH93074 . "Thymocyte nuclear protein 1 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.31e-122 . . . . 7022 1 7 no REF NP_001032381 . "thymocyte nuclear protein 1 isoform 2 [Homo sapiens]" . . . . . 60.23 166 100.00 100.00 3.65e-74 . . . . 7022 1 8 no REF NP_001032382 . "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.27e-122 . . . . 7022 1 9 no REF NP_054893 . "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.27e-122 . . . . 7022 1 10 no REF NP_954994 . "thymocyte nuclear protein 1 isoform 2 [Homo sapiens]" . . . . . 60.23 166 100.00 100.00 3.65e-74 . . . . 7022 1 11 no REF NP_954995 . "thymocyte nuclear protein 1 isoform 1 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.27e-122 . . . . 7022 1 12 no SP Q9P016 . "RecName: Full=Thymocyte nuclear protein 1; AltName: Full=Thymocyte protein Thy28 [Homo sapiens]" . . . . . 96.02 225 99.41 99.41 1.27e-122 . . . . 7022 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 . 7022 1 2 . SER . 7022 1 3 . HIS . 7022 1 4 . TRP . 7022 1 5 . LEU . 7022 1 6 . MET . 7022 1 7 . LYS . 7022 1 8 . SER . 7022 1 9 . GLU . 7022 1 10 . PRO . 7022 1 11 . GLU . 7022 1 12 . SER . 7022 1 13 . ARG . 7022 1 14 . LEU . 7022 1 15 . GLU . 7022 1 16 . LYS . 7022 1 17 . GLY . 7022 1 18 . VAL . 7022 1 19 . ASP . 7022 1 20 . VAL . 7022 1 21 . LYS . 7022 1 22 . PHE . 7022 1 23 . SER . 7022 1 24 . ILE . 7022 1 25 . GLU . 7022 1 26 . ASP . 7022 1 27 . LEU . 7022 1 28 . LYS . 7022 1 29 . ALA . 7022 1 30 . GLN . 7022 1 31 . PRO . 7022 1 32 . LYS . 7022 1 33 . GLN . 7022 1 34 . THR . 7022 1 35 . THR . 7022 1 36 . CYS . 7022 1 37 . TRP . 7022 1 38 . ASP . 7022 1 39 . GLY . 7022 1 40 . VAL . 7022 1 41 . ARG . 7022 1 42 . ASN . 7022 1 43 . TYR . 7022 1 44 . GLN . 7022 1 45 . ALA . 7022 1 46 . ARG . 7022 1 47 . ASN . 7022 1 48 . PHE . 7022 1 49 . LEU . 7022 1 50 . ARG . 7022 1 51 . ALA . 7022 1 52 . MET . 7022 1 53 . LYS . 7022 1 54 . LEU . 7022 1 55 . GLY . 7022 1 56 . GLU . 7022 1 57 . GLU . 7022 1 58 . ALA . 7022 1 59 . PHE . 7022 1 60 . PHE . 7022 1 61 . TYR . 7022 1 62 . HIS . 7022 1 63 . SER . 7022 1 64 . ASN . 7022 1 65 . CYS . 7022 1 66 . LYS . 7022 1 67 . GLU . 7022 1 68 . PRO . 7022 1 69 . GLY . 7022 1 70 . ILE . 7022 1 71 . ALA . 7022 1 72 . GLY . 7022 1 73 . LEU . 7022 1 74 . MET . 7022 1 75 . LYS . 7022 1 76 . ILE . 7022 1 77 . VAL . 7022 1 78 . LYS . 7022 1 79 . GLU . 7022 1 80 . ALA . 7022 1 81 . TYR . 7022 1 82 . PRO . 7022 1 83 . ASP . 7022 1 84 . HIS . 7022 1 85 . THR . 7022 1 86 . GLN . 7022 1 87 . PHE . 7022 1 88 . GLU . 7022 1 89 . LYS . 7022 1 90 . ASN . 7022 1 91 . ASN . 7022 1 92 . PRO . 7022 1 93 . HIS . 7022 1 94 . TYR . 7022 1 95 . ASP . 7022 1 96 . PRO . 7022 1 97 . SER . 7022 1 98 . SER . 7022 1 99 . LYS . 7022 1 100 . GLU . 7022 1 101 . ASP . 7022 1 102 . ASN . 7022 1 103 . PRO . 7022 1 104 . LYS . 7022 1 105 . TRP . 7022 1 106 . SER . 7022 1 107 . MET . 7022 1 108 . VAL . 7022 1 109 . ASP . 7022 1 110 . VAL . 7022 1 111 . GLN . 7022 1 112 . PHE . 7022 1 113 . VAL . 7022 1 114 . ARG . 7022 1 115 . MET . 7022 1 116 . MET . 7022 1 117 . LYS . 7022 1 118 . ARG . 7022 1 119 . PHE . 7022 1 120 . ILE . 7022 1 121 . PRO . 7022 1 122 . LEU . 7022 1 123 . ALA . 7022 1 124 . GLU . 7022 1 125 . LEU . 7022 1 126 . LYS . 7022 1 127 . SER . 7022 1 128 . TYR . 7022 1 129 . HIS . 7022 1 130 . GLN . 7022 1 131 . ALA . 7022 1 132 . HIS . 7022 1 133 . LYS . 7022 1 134 . ALA . 7022 1 135 . THR . 7022 1 136 . GLY . 7022 1 137 . GLY . 7022 1 138 . PRO . 7022 1 139 . LEU . 7022 1 140 . LYS . 7022 1 141 . ASN . 7022 1 142 . MET . 7022 1 143 . VAL . 7022 1 144 . LEU . 7022 1 145 . PHE . 7022 1 146 . THR . 7022 1 147 . ARG . 7022 1 148 . GLN . 7022 1 149 . ARG . 7022 1 150 . LEU . 7022 1 151 . SER . 7022 1 152 . ILE . 7022 1 153 . GLN . 7022 1 154 . PRO . 7022 1 155 . LEU . 7022 1 156 . THR . 7022 1 157 . GLN . 7022 1 158 . GLU . 7022 1 159 . GLU . 7022 1 160 . PHE . 7022 1 161 . ASP . 7022 1 162 . PHE . 7022 1 163 . VAL . 7022 1 164 . LEU . 7022 1 165 . SER . 7022 1 166 . LEU . 7022 1 167 . GLU . 7022 1 168 . GLU . 7022 1 169 . LEU . 7022 1 170 . GLU . 7022 1 171 . HIS . 7022 1 172 . HIS . 7022 1 173 . HIS . 7022 1 174 . HIS . 7022 1 175 . HIS . 7022 1 176 . HIS . 7022 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 7022 1 . SER 2 2 7022 1 . HIS 3 3 7022 1 . TRP 4 4 7022 1 . LEU 5 5 7022 1 . MET 6 6 7022 1 . LYS 7 7 7022 1 . SER 8 8 7022 1 . GLU 9 9 7022 1 . PRO 10 10 7022 1 . GLU 11 11 7022 1 . SER 12 12 7022 1 . ARG 13 13 7022 1 . LEU 14 14 7022 1 . GLU 15 15 7022 1 . LYS 16 16 7022 1 . GLY 17 17 7022 1 . VAL 18 18 7022 1 . ASP 19 19 7022 1 . VAL 20 20 7022 1 . LYS 21 21 7022 1 . PHE 22 22 7022 1 . SER 23 23 7022 1 . ILE 24 24 7022 1 . GLU 25 25 7022 1 . ASP 26 26 7022 1 . LEU 27 27 7022 1 . LYS 28 28 7022 1 . ALA 29 29 7022 1 . GLN 30 30 7022 1 . PRO 31 31 7022 1 . LYS 32 32 7022 1 . GLN 33 33 7022 1 . THR 34 34 7022 1 . THR 35 35 7022 1 . CYS 36 36 7022 1 . TRP 37 37 7022 1 . ASP 38 38 7022 1 . GLY 39 39 7022 1 . VAL 40 40 7022 1 . ARG 41 41 7022 1 . ASN 42 42 7022 1 . TYR 43 43 7022 1 . GLN 44 44 7022 1 . ALA 45 45 7022 1 . ARG 46 46 7022 1 . ASN 47 47 7022 1 . PHE 48 48 7022 1 . LEU 49 49 7022 1 . ARG 50 50 7022 1 . ALA 51 51 7022 1 . MET 52 52 7022 1 . LYS 53 53 7022 1 . LEU 54 54 7022 1 . GLY 55 55 7022 1 . GLU 56 56 7022 1 . GLU 57 57 7022 1 . ALA 58 58 7022 1 . PHE 59 59 7022 1 . PHE 60 60 7022 1 . TYR 61 61 7022 1 . HIS 62 62 7022 1 . SER 63 63 7022 1 . ASN 64 64 7022 1 . CYS 65 65 7022 1 . LYS 66 66 7022 1 . GLU 67 67 7022 1 . PRO 68 68 7022 1 . GLY 69 69 7022 1 . ILE 70 70 7022 1 . ALA 71 71 7022 1 . GLY 72 72 7022 1 . LEU 73 73 7022 1 . MET 74 74 7022 1 . LYS 75 75 7022 1 . ILE 76 76 7022 1 . VAL 77 77 7022 1 . LYS 78 78 7022 1 . GLU 79 79 7022 1 . ALA 80 80 7022 1 . TYR 81 81 7022 1 . PRO 82 82 7022 1 . ASP 83 83 7022 1 . HIS 84 84 7022 1 . THR 85 85 7022 1 . GLN 86 86 7022 1 . PHE 87 87 7022 1 . GLU 88 88 7022 1 . LYS 89 89 7022 1 . ASN 90 90 7022 1 . ASN 91 91 7022 1 . PRO 92 92 7022 1 . HIS 93 93 7022 1 . TYR 94 94 7022 1 . ASP 95 95 7022 1 . PRO 96 96 7022 1 . SER 97 97 7022 1 . SER 98 98 7022 1 . LYS 99 99 7022 1 . GLU 100 100 7022 1 . ASP 101 101 7022 1 . ASN 102 102 7022 1 . PRO 103 103 7022 1 . LYS 104 104 7022 1 . TRP 105 105 7022 1 . SER 106 106 7022 1 . MET 107 107 7022 1 . VAL 108 108 7022 1 . ASP 109 109 7022 1 . VAL 110 110 7022 1 . GLN 111 111 7022 1 . PHE 112 112 7022 1 . VAL 113 113 7022 1 . ARG 114 114 7022 1 . MET 115 115 7022 1 . MET 116 116 7022 1 . LYS 117 117 7022 1 . ARG 118 118 7022 1 . PHE 119 119 7022 1 . ILE 120 120 7022 1 . PRO 121 121 7022 1 . LEU 122 122 7022 1 . ALA 123 123 7022 1 . GLU 124 124 7022 1 . LEU 125 125 7022 1 . LYS 126 126 7022 1 . SER 127 127 7022 1 . TYR 128 128 7022 1 . HIS 129 129 7022 1 . GLN 130 130 7022 1 . ALA 131 131 7022 1 . HIS 132 132 7022 1 . LYS 133 133 7022 1 . ALA 134 134 7022 1 . THR 135 135 7022 1 . GLY 136 136 7022 1 . GLY 137 137 7022 1 . PRO 138 138 7022 1 . LEU 139 139 7022 1 . LYS 140 140 7022 1 . ASN 141 141 7022 1 . MET 142 142 7022 1 . VAL 143 143 7022 1 . LEU 144 144 7022 1 . PHE 145 145 7022 1 . THR 146 146 7022 1 . ARG 147 147 7022 1 . GLN 148 148 7022 1 . ARG 149 149 7022 1 . LEU 150 150 7022 1 . SER 151 151 7022 1 . ILE 152 152 7022 1 . GLN 153 153 7022 1 . PRO 154 154 7022 1 . LEU 155 155 7022 1 . THR 156 156 7022 1 . GLN 157 157 7022 1 . GLU 158 158 7022 1 . GLU 159 159 7022 1 . PHE 160 160 7022 1 . ASP 161 161 7022 1 . PHE 162 162 7022 1 . VAL 163 163 7022 1 . LEU 164 164 7022 1 . SER 165 165 7022 1 . LEU 166 166 7022 1 . GLU 167 167 7022 1 . GLU 168 168 7022 1 . LEU 169 169 7022 1 . GLU 170 170 7022 1 . HIS 171 171 7022 1 . HIS 172 172 7022 1 . HIS 173 173 7022 1 . HIS 174 174 7022 1 . HIS 175 175 7022 1 . HIS 176 176 7022 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 7022 _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 $DUF589 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . 'CD34+ hematopietic stem/progenitor cell' . . 7022 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 7022 _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 $DUF589 . 'recombinant technology' . 'E. coli' . . . . BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 7022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3' _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 DUF589 . . . 1 $DUF589 . . 1 . . mM . . . . 7022 1 2 Na2HPO4 . . . . . . . 15 . . mM . . . . 7022 1 3 NaH2PO4 . . . . . . . 15 . . mM . . . . 7022 1 4 NaCl . . . . . . . 100 . . mM . . . . 7022 1 5 DTT . . . . . . . 5 . . mM . . . . 7022 1 6 NaN3 . . . . . . . 0.05 . . % . . . . 7022 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 7022 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3' _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 DUF589 '[U-13C; U-15N]' . . 1 $DUF589 . . 1 . . mM . . . . 7022 2 2 Na2HPO4 . . . . . . . 15 . . mM . . . . 7022 2 3 NaH2PO4 . . . . . . . 15 . . mM . . . . 7022 2 4 NaCl . . . . . . . 100 . . mM . . . . 7022 2 5 DTT . . . . . . . 5 . . mM . . . . 7022 2 6 NaN3 . . . . . . . 0.05 . . % . . . . 7022 2 7 H20 . . . . . . . 100 . . % . . . . 7022 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 7022 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15 mM Sodium phosphate (pH6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3' _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 DUF589 '[U-13C; U-15N]' . . 1 $DUF589 . . 1 . . mM . . . . 7022 3 2 Na2HPO4 . . . . . . . 15 . . mM . . . . 7022 3 3 NaH2PO4 . . . . . . . 15 . . mM . . . . 7022 3 4 NaCl . . . . . . . 100 . . mM . . . . 7022 3 5 DTT . . . . . . . 5 . . mM . . . . 7022 3 6 NaN3 . . . . . . . 0.05 . . % . . . . 7022 3 7 D20 . . . . . . . 100 . . % . . . . 7022 3 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 7022 _Sample_condition_list.ID 1 _Sample_condition_list.Details '15 mM Sodium phosphate (pH 6.5), 100 mM NaCl, 5mM DTT, 0.05% NaN3' 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 6.5 0 pH 7022 1 temperature 298 0.1 K 7022 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 7022 _Software.ID 1 _Software.Name 'SPARKY 3' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller' . . 7022 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'UNITY 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 7022 _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 1H15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 2 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 3 CBCA(C0)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 4 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 5 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 6 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 8 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7022 1 stop_ save_ save_1H15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N-HSQC _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N-HSQC _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(C0)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(C0)NH _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(C0)NH _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCA _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CO)CA _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CO)NH _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HBHA(CO)NH _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7022 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HCCH-COSY _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 $600MHz_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 1 _NMR_spec_expt.Software_label $software_1 _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 7022 _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 internal indirect 0.251449530 . . . . . . . . . 7022 1 H 1 DSS 'methylene protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7022 1 N 15 DSS 'methylene protons' . . . . ppm 0.0 internal indirect 0.101329118 . . . . . . . . . 7022 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 7022 _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 7022 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 SER HA H 1 3.882 0.017 . 1 . . . . 2 SER HA . 7022 1 2 . 1 1 2 2 SER HB2 H 1 3.665 0.009 . 2 . . . . 2 SER HB1 . 7022 1 3 . 1 1 2 2 SER HB3 H 1 3.362 0.009 . 2 . . . . 2 SER HB2 . 7022 1 4 . 1 1 2 2 SER C C 13 168.904 0.000 . 1 . . . . 2 SER C . 7022 1 5 . 1 1 2 2 SER CA C 13 57.821 0.059 . 1 . . . . 2 SER CA . 7022 1 6 . 1 1 2 2 SER CB C 13 63.357 0.033 . 1 . . . . 2 SER CB . 7022 1 7 . 1 1 3 3 HIS H H 1 7.015 0.003 . 1 . . . . 3 HIS HN . 7022 1 8 . 1 1 3 3 HIS HA H 1 4.688 0.018 . 1 . . . . 3 HIS HA . 7022 1 9 . 1 1 3 3 HIS HB2 H 1 2.455 0.028 . 2 . . . . 3 HIS HB1 . 7022 1 10 . 1 1 3 3 HIS HB3 H 1 2.316 0.009 . 2 . . . . 3 HIS HB2 . 7022 1 11 . 1 1 3 3 HIS C C 13 173.775 0.000 . 1 . . . . 3 HIS C . 7022 1 12 . 1 1 3 3 HIS CA C 13 55.523 0.181 . 1 . . . . 3 HIS CA . 7022 1 13 . 1 1 3 3 HIS CB C 13 33.017 0.216 . 1 . . . . 3 HIS CB . 7022 1 14 . 1 1 3 3 HIS N N 15 117.691 0.043 . 1 . . . . 3 HIS N . 7022 1 15 . 1 1 4 4 TRP H H 1 7.611 0.008 . 1 . . . . 4 TRP HN . 7022 1 16 . 1 1 4 4 TRP HA H 1 5.585 0.007 . 1 . . . . 4 TRP HA . 7022 1 17 . 1 1 4 4 TRP HB2 H 1 2.943 0.015 . 2 . . . . 4 TRP HB1 . 7022 1 18 . 1 1 4 4 TRP HB3 H 1 2.600 0.027 . 2 . . . . 4 TRP HB2 . 7022 1 19 . 1 1 4 4 TRP HE1 H 1 10.484 0.016 . 1 . . . . 4 TRP HE . 7022 1 20 . 1 1 4 4 TRP C C 13 173.809 0.000 . 1 . . . . 4 TRP C . 7022 1 21 . 1 1 4 4 TRP CA C 13 56.144 0.123 . 1 . . . . 4 TRP CA . 7022 1 22 . 1 1 4 4 TRP CB C 13 34.960 0.077 . 1 . . . . 4 TRP CB . 7022 1 23 . 1 1 4 4 TRP N N 15 117.931 0.114 . 1 . . . . 4 TRP N . 7022 1 24 . 1 1 4 4 TRP NE1 N 15 128.817 0.013 . 1 . . . . 4 TRP NE . 7022 1 25 . 1 1 5 5 LEU H H 1 9.360 0.009 . 1 . . . . 5 LEU HN . 7022 1 26 . 1 1 5 5 LEU HA H 1 4.912 0.006 . 1 . . . . 5 LEU HA . 7022 1 27 . 1 1 5 5 LEU HG H 1 1.553 0.020 . 1 . . . . 5 LEU HG . 7022 1 28 . 1 1 5 5 LEU HD11 H 1 0.322 0.014 . 2 . . . . 5 LEU HD1# . 7022 1 29 . 1 1 5 5 LEU HD12 H 1 0.322 0.014 . 2 . . . . 5 LEU HD1# . 7022 1 30 . 1 1 5 5 LEU HD13 H 1 0.322 0.014 . 2 . . . . 5 LEU HD1# . 7022 1 31 . 1 1 5 5 LEU HD21 H 1 0.794 0.013 . 2 . . . . 5 LEU HD2# . 7022 1 32 . 1 1 5 5 LEU HD22 H 1 0.794 0.013 . 2 . . . . 5 LEU HD2# . 7022 1 33 . 1 1 5 5 LEU HD23 H 1 0.794 0.013 . 2 . . . . 5 LEU HD2# . 7022 1 34 . 1 1 5 5 LEU C C 13 174.514 0.000 . 1 . . . . 5 LEU C . 7022 1 35 . 1 1 5 5 LEU CA C 13 55.889 0.106 . 1 . . . . 5 LEU CA . 7022 1 36 . 1 1 5 5 LEU CB C 13 46.028 0.000 . 1 . . . . 5 LEU CB . 7022 1 37 . 1 1 5 5 LEU CG C 13 28.508 0.016 . 1 . . . . 5 LEU CG . 7022 1 38 . 1 1 5 5 LEU CD1 C 13 23.922 0.062 . 2 . . . . 5 LEU CD1 . 7022 1 39 . 1 1 5 5 LEU CD2 C 13 26.928 0.013 . 2 . . . . 5 LEU CD2 . 7022 1 40 . 1 1 5 5 LEU N N 15 123.555 0.065 . 1 . . . . 5 LEU N . 7022 1 41 . 1 1 6 6 MET H H 1 8.801 0.007 . 1 . . . . 6 MET HN . 7022 1 42 . 1 1 6 6 MET HA H 1 4.994 0.000 . 1 . . . . 6 MET HA . 7022 1 43 . 1 1 6 6 MET C C 13 173.487 0.000 . 1 . . . . 6 MET C . 7022 1 44 . 1 1 6 6 MET CA C 13 54.708 0.090 . 1 . . . . 6 MET CA . 7022 1 45 . 1 1 6 6 MET CB C 13 35.678 0.000 . 1 . . . . 6 MET CB . 7022 1 46 . 1 1 6 6 MET N N 15 125.413 0.072 . 1 . . . . 6 MET N . 7022 1 47 . 1 1 7 7 LYS H H 1 8.721 0.010 . 1 . . . . 7 LYS HN . 7022 1 48 . 1 1 7 7 LYS HA H 1 5.435 0.001 . 1 . . . . 7 LYS HA . 7022 1 49 . 1 1 7 7 LYS C C 13 176.596 0.000 . 1 . . . . 7 LYS C . 7022 1 50 . 1 1 7 7 LYS CA C 13 56.355 0.049 . 1 . . . . 7 LYS CA . 7022 1 51 . 1 1 7 7 LYS CB C 13 35.378 0.000 . 1 . . . . 7 LYS CB . 7022 1 52 . 1 1 7 7 LYS N N 15 120.466 0.057 . 1 . . . . 7 LYS N . 7022 1 53 . 1 1 8 8 SER H H 1 9.423 0.010 . 1 . . . . 8 SER HN . 7022 1 54 . 1 1 8 8 SER HA H 1 4.413 0.006 . 1 . . . . 8 SER HA . 7022 1 55 . 1 1 8 8 SER HB2 H 1 3.824 0.018 . 1 . . . . 8 SER HB# . 7022 1 56 . 1 1 8 8 SER HB3 H 1 3.824 0.018 . 1 . . . . 8 SER HB# . 7022 1 57 . 1 1 8 8 SER CA C 13 58.029 0.283 . 1 . . . . 8 SER CA . 7022 1 58 . 1 1 8 8 SER CB C 13 63.912 0.000 . 1 . . . . 8 SER CB . 7022 1 59 . 1 1 8 8 SER N N 15 117.145 0.061 . 1 . . . . 8 SER N . 7022 1 60 . 1 1 11 11 GLU HA H 1 4.268 0.000 . 1 . . . . 11 GLU HA . 7022 1 61 . 1 1 11 11 GLU C C 13 175.808 0.000 . 1 . . . . 11 GLU C . 7022 1 62 . 1 1 11 11 GLU CA C 13 56.603 0.000 . 1 . . . . 11 GLU CA . 7022 1 63 . 1 1 11 11 GLU CB C 13 30.434 0.000 . 1 . . . . 11 GLU CB . 7022 1 64 . 1 1 12 12 SER H H 1 7.938 0.005 . 1 . . . . 12 SER HN . 7022 1 65 . 1 1 12 12 SER CA C 13 59.783 0.068 . 1 . . . . 12 SER CA . 7022 1 66 . 1 1 12 12 SER CB C 13 64.914 0.000 . 1 . . . . 12 SER CB . 7022 1 67 . 1 1 12 12 SER N N 15 121.972 0.054 . 1 . . . . 12 SER N . 7022 1 68 . 1 1 14 14 LEU HA H 1 4.350 0.011 . 1 . . . . 14 LEU HA . 7022 1 69 . 1 1 14 14 LEU HB2 H 1 1.663 0.007 . 2 . . . . 14 LEU HB1 . 7022 1 70 . 1 1 14 14 LEU HB3 H 1 1.506 0.007 . 2 . . . . 14 LEU HB2 . 7022 1 71 . 1 1 14 14 LEU HG H 1 1.608 0.006 . 1 . . . . 14 LEU HG . 7022 1 72 . 1 1 14 14 LEU HD11 H 1 0.856 0.007 . 2 . . . . 14 LEU HD1# . 7022 1 73 . 1 1 14 14 LEU HD12 H 1 0.856 0.007 . 2 . . . . 14 LEU HD1# . 7022 1 74 . 1 1 14 14 LEU HD13 H 1 0.856 0.007 . 2 . . . . 14 LEU HD1# . 7022 1 75 . 1 1 14 14 LEU HD21 H 1 0.905 0.003 . 2 . . . . 14 LEU HD2# . 7022 1 76 . 1 1 14 14 LEU HD22 H 1 0.905 0.003 . 2 . . . . 14 LEU HD2# . 7022 1 77 . 1 1 14 14 LEU HD23 H 1 0.905 0.003 . 2 . . . . 14 LEU HD2# . 7022 1 78 . 1 1 14 14 LEU C C 13 176.280 0.000 . 1 . . . . 14 LEU C . 7022 1 79 . 1 1 14 14 LEU CA C 13 55.231 0.124 . 1 . . . . 14 LEU CA . 7022 1 80 . 1 1 14 14 LEU CB C 13 42.791 0.141 . 1 . . . . 14 LEU CB . 7022 1 81 . 1 1 14 14 LEU CG C 13 27.109 0.070 . 1 . . . . 14 LEU CG . 7022 1 82 . 1 1 14 14 LEU CD1 C 13 23.630 0.000 . 2 . . . . 14 LEU CD1 . 7022 1 83 . 1 1 14 14 LEU CD2 C 13 25.211 0.000 . 2 . . . . 14 LEU CD2 . 7022 1 84 . 1 1 15 15 GLU H H 1 7.841 0.004 . 1 . . . . 15 GLU HN . 7022 1 85 . 1 1 15 15 GLU CA C 13 57.782 0.064 . 1 . . . . 15 GLU CA . 7022 1 86 . 1 1 15 15 GLU CB C 13 31.331 0.000 . 1 . . . . 15 GLU CB . 7022 1 87 . 1 1 15 15 GLU N N 15 126.153 0.067 . 1 . . . . 15 GLU N . 7022 1 88 . 1 1 17 17 GLY HA2 H 1 4.083 0.007 . 2 . . . . 17 GLY HA1 . 7022 1 89 . 1 1 17 17 GLY HA3 H 1 3.586 0.007 . 2 . . . . 17 GLY HA2 . 7022 1 90 . 1 1 17 17 GLY C C 13 173.661 0.000 . 1 . . . . 17 GLY C . 7022 1 91 . 1 1 17 17 GLY CA C 13 45.340 0.078 . 1 . . . . 17 GLY CA . 7022 1 92 . 1 1 18 18 VAL H H 1 7.729 0.004 . 1 . . . . 18 VAL HN . 7022 1 93 . 1 1 18 18 VAL HA H 1 4.192 0.013 . 1 . . . . 18 VAL HA . 7022 1 94 . 1 1 18 18 VAL HB H 1 1.978 0.008 . 1 . . . . 18 VAL HB . 7022 1 95 . 1 1 18 18 VAL HG11 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 96 . 1 1 18 18 VAL HG12 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 97 . 1 1 18 18 VAL HG13 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 98 . 1 1 18 18 VAL HG21 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 99 . 1 1 18 18 VAL HG22 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 100 . 1 1 18 18 VAL HG23 H 1 0.830 0.009 . 2 . . . . 18 VAL HG# . 7022 1 101 . 1 1 18 18 VAL C C 13 174.490 0.000 . 1 . . . . 18 VAL C . 7022 1 102 . 1 1 18 18 VAL CA C 13 61.287 0.155 . 1 . . . . 18 VAL CA . 7022 1 103 . 1 1 18 18 VAL CB C 13 34.243 0.122 . 1 . . . . 18 VAL CB . 7022 1 104 . 1 1 18 18 VAL CG1 C 13 21.005 0.050 . 2 . . . . 18 VAL CG# . 7022 1 105 . 1 1 18 18 VAL CG2 C 13 21.005 0.050 . 2 . . . . 18 VAL CG# . 7022 1 106 . 1 1 18 18 VAL N N 15 120.207 0.056 . 1 . . . . 18 VAL N . 7022 1 107 . 1 1 20 20 VAL HA H 1 4.639 0.009 . 1 . . . . 20 VAL HA . 7022 1 108 . 1 1 20 20 VAL HB H 1 1.519 0.018 . 1 . . . . 20 VAL HB . 7022 1 109 . 1 1 20 20 VAL HG11 H 1 0.798 0.009 . 2 . . . . 20 VAL HG1# . 7022 1 110 . 1 1 20 20 VAL HG12 H 1 0.798 0.009 . 2 . . . . 20 VAL HG1# . 7022 1 111 . 1 1 20 20 VAL HG13 H 1 0.798 0.009 . 2 . . . . 20 VAL HG1# . 7022 1 112 . 1 1 20 20 VAL HG21 H 1 0.660 0.009 . 2 . . . . 20 VAL HG2# . 7022 1 113 . 1 1 20 20 VAL HG22 H 1 0.660 0.009 . 2 . . . . 20 VAL HG2# . 7022 1 114 . 1 1 20 20 VAL HG23 H 1 0.660 0.009 . 2 . . . . 20 VAL HG2# . 7022 1 115 . 1 1 20 20 VAL CA C 13 54.684 0.020 . 1 . . . . 20 VAL CA . 7022 1 116 . 1 1 20 20 VAL CB C 13 27.472 0.050 . 1 . . . . 20 VAL CB . 7022 1 117 . 1 1 20 20 VAL CG1 C 13 24.940 0.022 . 2 . . . . 20 VAL CG1 . 7022 1 118 . 1 1 20 20 VAL CG2 C 13 23.124 0.018 . 2 . . . . 20 VAL CG2 . 7022 1 119 . 1 1 24 24 ILE HA H 1 3.058 0.026 . 1 . . . . 24 ILE HA . 7022 1 120 . 1 1 24 24 ILE HB H 1 2.030 0.022 . 1 . . . . 24 ILE HB . 7022 1 121 . 1 1 24 24 ILE HG12 H 1 1.172 0.011 . 2 . . . . 24 ILE HG11 . 7022 1 122 . 1 1 24 24 ILE HG13 H 1 1.070 0.006 . 2 . . . . 24 ILE HG12 . 7022 1 123 . 1 1 24 24 ILE HG21 H 1 0.818 0.010 . 1 . . . . 24 ILE HG2 . 7022 1 124 . 1 1 24 24 ILE HG22 H 1 0.818 0.010 . 1 . . . . 24 ILE HG2 . 7022 1 125 . 1 1 24 24 ILE HG23 H 1 0.818 0.010 . 1 . . . . 24 ILE HG2 . 7022 1 126 . 1 1 24 24 ILE C C 13 176.219 0.000 . 1 . . . . 24 ILE C . 7022 1 127 . 1 1 24 24 ILE CA C 13 63.775 0.153 . 1 . . . . 24 ILE CA . 7022 1 128 . 1 1 24 24 ILE CB C 13 34.263 0.000 . 1 . . . . 24 ILE CB . 7022 1 129 . 1 1 24 24 ILE CG1 C 13 30.081 0.014 . 1 . . . . 24 ILE CG1 . 7022 1 130 . 1 1 24 24 ILE CG2 C 13 18.268 0.006 . 1 . . . . 24 ILE CG2 . 7022 1 131 . 1 1 25 25 GLU H H 1 7.550 0.012 . 1 . . . . 25 GLU HN . 7022 1 132 . 1 1 25 25 GLU HA H 1 3.770 0.012 . 1 . . . . 25 GLU HA . 7022 1 133 . 1 1 25 25 GLU HB2 H 1 1.893 0.000 . 2 . . . . 25 GLU HB1 . 7022 1 134 . 1 1 25 25 GLU HB3 H 1 1.620 0.010 . 2 . . . . 25 GLU HB2 . 7022 1 135 . 1 1 25 25 GLU HG2 H 1 2.256 0.013 . 2 . . . . 25 GLU HG1 . 7022 1 136 . 1 1 25 25 GLU HG3 H 1 2.198 0.028 . 2 . . . . 25 GLU HG2 . 7022 1 137 . 1 1 25 25 GLU C C 13 179.363 0.000 . 1 . . . . 25 GLU C . 7022 1 138 . 1 1 25 25 GLU CA C 13 58.395 0.134 . 1 . . . . 25 GLU CA . 7022 1 139 . 1 1 25 25 GLU CB C 13 28.494 0.095 . 1 . . . . 25 GLU CB . 7022 1 140 . 1 1 25 25 GLU CG C 13 35.952 0.018 . 1 . . . . 25 GLU CG . 7022 1 141 . 1 1 25 25 GLU N N 15 119.823 0.119 . 1 . . . . 25 GLU N . 7022 1 142 . 1 1 26 26 ASP H H 1 7.271 0.007 . 1 . . . . 26 ASP HN . 7022 1 143 . 1 1 26 26 ASP HA H 1 4.234 0.020 . 1 . . . . 26 ASP HA . 7022 1 144 . 1 1 26 26 ASP C C 13 179.027 0.000 . 1 . . . . 26 ASP C . 7022 1 145 . 1 1 26 26 ASP CA C 13 57.110 0.062 . 1 . . . . 26 ASP CA . 7022 1 146 . 1 1 26 26 ASP CB C 13 40.230 0.000 . 1 . . . . 26 ASP CB . 7022 1 147 . 1 1 26 26 ASP N N 15 121.106 0.075 . 1 . . . . 26 ASP N . 7022 1 148 . 1 1 27 27 LEU H H 1 7.053 0.017 . 1 . . . . 27 LEU HN . 7022 1 149 . 1 1 27 27 LEU HA H 1 4.077 0.011 . 1 . . . . 27 LEU HA . 7022 1 150 . 1 1 27 27 LEU C C 13 178.036 0.000 . 1 . . . . 27 LEU C . 7022 1 151 . 1 1 27 27 LEU CA C 13 58.332 0.051 . 1 . . . . 27 LEU CA . 7022 1 152 . 1 1 27 27 LEU CB C 13 40.617 0.000 . 1 . . . . 27 LEU CB . 7022 1 153 . 1 1 27 27 LEU N N 15 120.980 0.119 . 1 . . . . 27 LEU N . 7022 1 154 . 1 1 28 28 LYS H H 1 7.405 0.011 . 1 . . . . 28 LYS HN . 7022 1 155 . 1 1 28 28 LYS HA H 1 3.278 0.016 . 1 . . . . 28 LYS HA . 7022 1 156 . 1 1 28 28 LYS HB2 H 1 1.463 0.016 . 2 . . . . 28 LYS HB1 . 7022 1 157 . 1 1 28 28 LYS HB3 H 1 1.214 0.016 . 2 . . . . 28 LYS HB2 . 7022 1 158 . 1 1 28 28 LYS HG2 H 1 0.677 0.003 . 1 . . . . 28 LYS HG# . 7022 1 159 . 1 1 28 28 LYS HG3 H 1 0.677 0.003 . 1 . . . . 28 LYS HG# . 7022 1 160 . 1 1 28 28 LYS HD2 H 1 1.203 0.012 . 2 . . . . 28 LYS HD1 . 7022 1 161 . 1 1 28 28 LYS HD3 H 1 1.121 0.034 . 2 . . . . 28 LYS HD2 . 7022 1 162 . 1 1 28 28 LYS HE2 H 1 2.607 0.011 . 1 . . . . 28 LYS HE# . 7022 1 163 . 1 1 28 28 LYS HE3 H 1 2.607 0.011 . 1 . . . . 28 LYS HE# . 7022 1 164 . 1 1 28 28 LYS C C 13 176.140 0.000 . 1 . . . . 28 LYS C . 7022 1 165 . 1 1 28 28 LYS CA C 13 59.049 0.103 . 1 . . . . 28 LYS CA . 7022 1 166 . 1 1 28 28 LYS CB C 13 32.251 0.104 . 1 . . . . 28 LYS CB . 7022 1 167 . 1 1 28 28 LYS CG C 13 24.063 0.000 . 1 . . . . 28 LYS CG . 7022 1 168 . 1 1 28 28 LYS CD C 13 30.095 0.065 . 1 . . . . 28 LYS CD . 7022 1 169 . 1 1 28 28 LYS CE C 13 41.206 0.050 . 1 . . . . 28 LYS CE . 7022 1 170 . 1 1 28 28 LYS N N 15 115.602 0.087 . 1 . . . . 28 LYS N . 7022 1 171 . 1 1 29 29 ALA H H 1 7.035 0.011 . 1 . . . . 29 ALA HN . 7022 1 172 . 1 1 29 29 ALA HA H 1 4.316 0.009 . 1 . . . . 29 ALA HA . 7022 1 173 . 1 1 29 29 ALA HB1 H 1 1.471 0.000 . 1 . . . . 29 ALA HB . 7022 1 174 . 1 1 29 29 ALA HB2 H 1 1.471 0.000 . 1 . . . . 29 ALA HB . 7022 1 175 . 1 1 29 29 ALA HB3 H 1 1.471 0.000 . 1 . . . . 29 ALA HB . 7022 1 176 . 1 1 29 29 ALA C C 13 178.206 0.000 . 1 . . . . 29 ALA C . 7022 1 177 . 1 1 29 29 ALA CA C 13 52.055 0.105 . 1 . . . . 29 ALA CA . 7022 1 178 . 1 1 29 29 ALA CB C 13 19.450 0.087 . 1 . . . . 29 ALA CB . 7022 1 179 . 1 1 29 29 ALA N N 15 117.449 0.052 . 1 . . . . 29 ALA N . 7022 1 180 . 1 1 30 30 GLN H H 1 7.422 0.009 . 1 . . . . 30 GLN HN . 7022 1 181 . 1 1 30 30 GLN HA H 1 4.328 0.020 . 1 . . . . 30 GLN HA . 7022 1 182 . 1 1 30 30 GLN C C 13 175.047 0.000 . 1 . . . . 30 GLN C . 7022 1 183 . 1 1 30 30 GLN CA C 13 54.122 0.061 . 1 . . . . 30 GLN CA . 7022 1 184 . 1 1 30 30 GLN CB C 13 28.825 0.000 . 1 . . . . 30 GLN CB . 7022 1 185 . 1 1 30 30 GLN N N 15 118.381 0.102 . 1 . . . . 30 GLN N . 7022 1 186 . 1 1 31 31 PRO HA H 1 4.077 0.000 . 1 . . . . 31 PRO HA . 7022 1 187 . 1 1 31 31 PRO C C 13 176.417 0.000 . 1 . . . . 31 PRO C . 7022 1 188 . 1 1 31 31 PRO CA C 13 61.615 0.133 . 1 . . . . 31 PRO CA . 7022 1 189 . 1 1 32 32 LYS H H 1 8.280 0.002 . 1 . . . . 32 LYS HN . 7022 1 190 . 1 1 32 32 LYS HA H 1 4.155 0.016 . 1 . . . . 32 LYS HA . 7022 1 191 . 1 1 32 32 LYS C C 13 176.659 0.000 . 1 . . . . 32 LYS C . 7022 1 192 . 1 1 32 32 LYS CA C 13 57.003 0.105 . 1 . . . . 32 LYS CA . 7022 1 193 . 1 1 32 32 LYS CB C 13 33.042 0.000 . 1 . . . . 32 LYS CB . 7022 1 194 . 1 1 32 32 LYS N N 15 124.751 0.043 . 1 . . . . 32 LYS N . 7022 1 195 . 1 1 33 33 GLN H H 1 9.068 0.012 . 1 . . . . 33 GLN HN . 7022 1 196 . 1 1 33 33 GLN HA H 1 4.178 0.022 . 1 . . . . 33 GLN HA . 7022 1 197 . 1 1 33 33 GLN C C 13 173.473 0.000 . 1 . . . . 33 GLN C . 7022 1 198 . 1 1 33 33 GLN CA C 13 56.820 0.119 . 1 . . . . 33 GLN CA . 7022 1 199 . 1 1 33 33 GLN CB C 13 27.992 0.115 . 1 . . . . 33 GLN CB . 7022 1 200 . 1 1 33 33 GLN N N 15 117.510 0.062 . 1 . . . . 33 GLN N . 7022 1 201 . 1 1 34 34 THR H H 1 7.178 0.023 . 1 . . . . 34 THR HN . 7022 1 202 . 1 1 34 34 THR HA H 1 5.837 0.007 . 1 . . . . 34 THR HA . 7022 1 203 . 1 1 34 34 THR HB H 1 3.808 0.008 . 1 . . . . 34 THR HB . 7022 1 204 . 1 1 34 34 THR HG21 H 1 1.147 0.014 . 1 . . . . 34 THR HG# . 7022 1 205 . 1 1 34 34 THR HG22 H 1 1.147 0.014 . 1 . . . . 34 THR HG# . 7022 1 206 . 1 1 34 34 THR HG23 H 1 1.147 0.014 . 1 . . . . 34 THR HG# . 7022 1 207 . 1 1 34 34 THR C C 13 173.209 0.000 . 1 . . . . 34 THR C . 7022 1 208 . 1 1 34 34 THR CA C 13 61.408 0.106 . 1 . . . . 34 THR CA . 7022 1 209 . 1 1 34 34 THR CB C 13 72.864 0.159 . 1 . . . . 34 THR CB . 7022 1 210 . 1 1 34 34 THR CG2 C 13 20.215 0.096 . 1 . . . . 34 THR CG2 . 7022 1 211 . 1 1 34 34 THR N N 15 112.583 0.039 . 1 . . . . 34 THR N . 7022 1 212 . 1 1 35 35 THR H H 1 8.769 0.009 . 1 . . . . 35 THR HN . 7022 1 213 . 1 1 35 35 THR HA H 1 4.870 0.010 . 1 . . . . 35 THR HA . 7022 1 214 . 1 1 35 35 THR HB H 1 3.987 0.011 . 1 . . . . 35 THR HB . 7022 1 215 . 1 1 35 35 THR HG21 H 1 1.166 0.010 . 1 . . . . 35 THR HG# . 7022 1 216 . 1 1 35 35 THR HG22 H 1 1.166 0.010 . 1 . . . . 35 THR HG# . 7022 1 217 . 1 1 35 35 THR HG23 H 1 1.166 0.010 . 1 . . . . 35 THR HG# . 7022 1 218 . 1 1 35 35 THR C C 13 171.736 0.000 . 1 . . . . 35 THR C . 7022 1 219 . 1 1 35 35 THR CA C 13 60.591 0.113 . 1 . . . . 35 THR CA . 7022 1 220 . 1 1 35 35 THR CB C 13 71.405 0.026 . 1 . . . . 35 THR CB . 7022 1 221 . 1 1 35 35 THR CG2 C 13 19.346 0.114 . 1 . . . . 35 THR CG2 . 7022 1 222 . 1 1 35 35 THR N N 15 116.938 0.072 . 1 . . . . 35 THR N . 7022 1 223 . 1 1 36 36 CYS H H 1 7.899 0.002 . 1 . . . . 36 CYS HN . 7022 1 224 . 1 1 36 36 CYS HA H 1 5.541 0.009 . 1 . . . . 36 CYS HA . 7022 1 225 . 1 1 36 36 CYS HB2 H 1 3.311 0.011 . 2 . . . . 36 CYS HB1 . 7022 1 226 . 1 1 36 36 CYS HB3 H 1 3.093 0.008 . 2 . . . . 36 CYS HB2 . 7022 1 227 . 1 1 36 36 CYS C C 13 174.204 0.000 . 1 . . . . 36 CYS C . 7022 1 228 . 1 1 36 36 CYS CA C 13 54.601 0.100 . 1 . . . . 36 CYS CA . 7022 1 229 . 1 1 36 36 CYS CB C 13 29.920 0.063 . 1 . . . . 36 CYS CB . 7022 1 230 . 1 1 36 36 CYS N N 15 121.122 0.050 . 1 . . . . 36 CYS N . 7022 1 231 . 1 1 37 37 TRP H H 1 9.571 0.008 . 1 . . . . 37 TRP HN . 7022 1 232 . 1 1 37 37 TRP HA H 1 4.548 0.003 . 1 . . . . 37 TRP HA . 7022 1 233 . 1 1 37 37 TRP HB2 H 1 3.526 0.000 . 2 . . . . 37 TRP HB1 . 7022 1 234 . 1 1 37 37 TRP HB3 H 1 2.563 0.009 . 2 . . . . 37 TRP HB2 . 7022 1 235 . 1 1 37 37 TRP HE1 H 1 10.524 0.007 . 1 . . . . 37 TRP HE . 7022 1 236 . 1 1 37 37 TRP C C 13 173.932 0.000 . 1 . . . . 37 TRP C . 7022 1 237 . 1 1 37 37 TRP CA C 13 55.884 0.133 . 1 . . . . 37 TRP CA . 7022 1 238 . 1 1 37 37 TRP CB C 13 27.055 0.000 . 1 . . . . 37 TRP CB . 7022 1 239 . 1 1 37 37 TRP N N 15 128.566 0.059 . 1 . . . . 37 TRP N . 7022 1 240 . 1 1 37 37 TRP NE1 N 15 131.021 0.039 . 1 . . . . 37 TRP NE . 7022 1 241 . 1 1 38 38 ASP H H 1 8.140 0.007 . 1 . . . . 38 ASP HN . 7022 1 242 . 1 1 38 38 ASP HA H 1 4.297 0.009 . 1 . . . . 38 ASP HA . 7022 1 243 . 1 1 38 38 ASP HB2 H 1 2.563 0.011 . 1 . . . . 38 ASP HB# . 7022 1 244 . 1 1 38 38 ASP HB3 H 1 2.563 0.011 . 1 . . . . 38 ASP HB# . 7022 1 245 . 1 1 38 38 ASP C C 13 176.389 0.000 . 1 . . . . 38 ASP C . 7022 1 246 . 1 1 38 38 ASP CA C 13 53.938 0.090 . 1 . . . . 38 ASP CA . 7022 1 247 . 1 1 38 38 ASP CB C 13 42.647 0.048 . 1 . . . . 38 ASP CB . 7022 1 248 . 1 1 38 38 ASP N N 15 120.861 0.095 . 1 . . . . 38 ASP N . 7022 1 249 . 1 1 39 39 GLY H H 1 8.281 0.020 . 1 . . . . 39 GLY HN . 7022 1 250 . 1 1 39 39 GLY HA2 H 1 3.424 0.026 . 2 . . . . 39 GLY HA1 . 7022 1 251 . 1 1 39 39 GLY HA3 H 1 2.578 0.023 . 2 . . . . 39 GLY HA2 . 7022 1 252 . 1 1 39 39 GLY C C 13 173.807 0.000 . 1 . . . . 39 GLY C . 7022 1 253 . 1 1 39 39 GLY CA C 13 46.010 0.067 . 1 . . . . 39 GLY CA . 7022 1 254 . 1 1 39 39 GLY N N 15 104.920 0.067 . 1 . . . . 39 GLY N . 7022 1 255 . 1 1 40 40 VAL H H 1 8.858 0.008 . 1 . . . . 40 VAL HN . 7022 1 256 . 1 1 40 40 VAL HA H 1 3.617 0.012 . 1 . . . . 40 VAL HA . 7022 1 257 . 1 1 40 40 VAL HB H 1 2.313 0.011 . 1 . . . . 40 VAL HB . 7022 1 258 . 1 1 40 40 VAL HG11 H 1 1.016 0.009 . 2 . . . . 40 VAL HG1# . 7022 1 259 . 1 1 40 40 VAL HG12 H 1 1.016 0.009 . 2 . . . . 40 VAL HG1# . 7022 1 260 . 1 1 40 40 VAL HG13 H 1 1.016 0.009 . 2 . . . . 40 VAL HG1# . 7022 1 261 . 1 1 40 40 VAL HG21 H 1 0.977 0.016 . 2 . . . . 40 VAL HG2# . 7022 1 262 . 1 1 40 40 VAL HG22 H 1 0.977 0.016 . 2 . . . . 40 VAL HG2# . 7022 1 263 . 1 1 40 40 VAL HG23 H 1 0.977 0.016 . 2 . . . . 40 VAL HG2# . 7022 1 264 . 1 1 40 40 VAL C C 13 178.727 0.000 . 1 . . . . 40 VAL C . 7022 1 265 . 1 1 40 40 VAL CA C 13 64.541 0.119 . 1 . . . . 40 VAL CA . 7022 1 266 . 1 1 40 40 VAL CB C 13 30.156 0.088 . 1 . . . . 40 VAL CB . 7022 1 267 . 1 1 40 40 VAL CG1 C 13 22.211 0.043 . 2 . . . . 40 VAL CG1 . 7022 1 268 . 1 1 40 40 VAL CG2 C 13 22.667 0.090 . 2 . . . . 40 VAL CG2 . 7022 1 269 . 1 1 40 40 VAL N N 15 121.833 0.066 . 1 . . . . 40 VAL N . 7022 1 270 . 1 1 41 41 ARG H H 1 8.501 0.010 . 1 . . . . 41 ARG HN . 7022 1 271 . 1 1 41 41 ARG HB2 H 1 2.338 0.037 . 1 . . . . 41 ARG HB# . 7022 1 272 . 1 1 41 41 ARG HB3 H 1 2.338 0.037 . 1 . . . . 41 ARG HB# . 7022 1 273 . 1 1 41 41 ARG C C 13 172.823 0.000 . 1 . . . . 41 ARG C . 7022 1 274 . 1 1 41 41 ARG CA C 13 52.168 0.137 . 1 . . . . 41 ARG CA . 7022 1 275 . 1 1 41 41 ARG CB C 13 28.855 0.072 . 1 . . . . 41 ARG CB . 7022 1 276 . 1 1 41 41 ARG N N 15 132.587 0.031 . 1 . . . . 41 ARG N . 7022 1 277 . 1 1 42 42 ASN H H 1 6.141 0.048 . 1 . . . . 42 ASN HN . 7022 1 278 . 1 1 42 42 ASN HA H 1 5.054 0.012 . 1 . . . . 42 ASN HA . 7022 1 279 . 1 1 42 42 ASN HB2 H 1 2.805 0.009 . 2 . . . . 42 ASN HB1 . 7022 1 280 . 1 1 42 42 ASN HB3 H 1 2.630 0.010 . 2 . . . . 42 ASN HB2 . 7022 1 281 . 1 1 42 42 ASN HD21 H 1 7.867 0.003 . 2 . . . . 42 ASN HD21 . 7022 1 282 . 1 1 42 42 ASN HD22 H 1 7.151 0.000 . 2 . . . . 42 ASN HD22 . 7022 1 283 . 1 1 42 42 ASN C C 13 175.818 0.000 . 1 . . . . 42 ASN C . 7022 1 284 . 1 1 42 42 ASN CA C 13 51.666 0.073 . 1 . . . . 42 ASN CA . 7022 1 285 . 1 1 42 42 ASN CB C 13 42.732 0.063 . 1 . . . . 42 ASN CB . 7022 1 286 . 1 1 42 42 ASN CG C 13 175.428 0.016 . 1 . . . . 42 ASN CG . 7022 1 287 . 1 1 42 42 ASN N N 15 119.404 0.043 . 1 . . . . 42 ASN N . 7022 1 288 . 1 1 42 42 ASN ND2 N 15 113.914 0.051 . 1 . . . . 42 ASN ND2 . 7022 1 289 . 1 1 43 43 TYR HA H 1 4.170 0.010 . 1 . . . . 43 TYR HA . 7022 1 290 . 1 1 43 43 TYR HB2 H 1 3.040 0.018 . 2 . . . . 43 TYR HB1 . 7022 1 291 . 1 1 43 43 TYR HB3 H 1 3.003 0.019 . 2 . . . . 43 TYR HB2 . 7022 1 292 . 1 1 43 43 TYR C C 13 176.651 0.000 . 1 . . . . 43 TYR C . 7022 1 293 . 1 1 43 43 TYR CA C 13 63.305 0.118 . 1 . . . . 43 TYR CA . 7022 1 294 . 1 1 43 43 TYR CB C 13 38.354 0.045 . 1 . . . . 43 TYR CB . 7022 1 295 . 1 1 44 44 GLN H H 1 8.158 0.005 . 1 . . . . 44 GLN HN . 7022 1 296 . 1 1 44 44 GLN HA H 1 3.888 0.013 . 1 . . . . 44 GLN HA . 7022 1 297 . 1 1 44 44 GLN HB2 H 1 2.252 0.017 . 2 . . . . 44 GLN HB1 . 7022 1 298 . 1 1 44 44 GLN HB3 H 1 2.051 0.014 . 2 . . . . 44 GLN HB2 . 7022 1 299 . 1 1 44 44 GLN HG2 H 1 2.297 0.017 . 1 . . . . 44 GLN HG# . 7022 1 300 . 1 1 44 44 GLN HG3 H 1 2.297 0.017 . 1 . . . . 44 GLN HG# . 7022 1 301 . 1 1 44 44 GLN HE21 H 1 7.258 0.018 . 2 . . . . 44 GLN HE21 . 7022 1 302 . 1 1 44 44 GLN HE22 H 1 6.986 0.003 . 2 . . . . 44 GLN HE22 . 7022 1 303 . 1 1 44 44 GLN C C 13 178.586 0.000 . 1 . . . . 44 GLN C . 7022 1 304 . 1 1 44 44 GLN CA C 13 59.488 0.109 . 1 . . . . 44 GLN CA . 7022 1 305 . 1 1 44 44 GLN CB C 13 28.216 0.072 . 1 . . . . 44 GLN CB . 7022 1 306 . 1 1 44 44 GLN CG C 13 34.723 0.049 . 1 . . . . 44 GLN CG . 7022 1 307 . 1 1 44 44 GLN CD C 13 179.930 0.014 . 1 . . . . 44 GLN CD . 7022 1 308 . 1 1 44 44 GLN N N 15 119.389 0.095 . 1 . . . . 44 GLN N . 7022 1 309 . 1 1 44 44 GLN NE2 N 15 112.287 0.094 . 1 . . . . 44 GLN NE2 . 7022 1 310 . 1 1 45 45 ALA H H 1 8.489 0.006 . 1 . . . . 45 ALA HN . 7022 1 311 . 1 1 45 45 ALA HA H 1 4.334 0.012 . 1 . . . . 45 ALA HA . 7022 1 312 . 1 1 45 45 ALA HB1 H 1 1.610 0.011 . 1 . . . . 45 ALA HB# . 7022 1 313 . 1 1 45 45 ALA HB2 H 1 1.610 0.011 . 1 . . . . 45 ALA HB# . 7022 1 314 . 1 1 45 45 ALA HB3 H 1 1.610 0.011 . 1 . . . . 45 ALA HB# . 7022 1 315 . 1 1 45 45 ALA C C 13 179.247 0.000 . 1 . . . . 45 ALA C . 7022 1 316 . 1 1 45 45 ALA CA C 13 55.464 0.094 . 1 . . . . 45 ALA CA . 7022 1 317 . 1 1 45 45 ALA CB C 13 19.583 0.064 . 1 . . . . 45 ALA CB . 7022 1 318 . 1 1 45 45 ALA N N 15 121.960 0.059 . 1 . . . . 45 ALA N . 7022 1 319 . 1 1 46 46 ARG H H 1 8.802 0.012 . 1 . . . . 46 ARG HN . 7022 1 320 . 1 1 46 46 ARG HA H 1 3.930 0.008 . 1 . . . . 46 ARG HA . 7022 1 321 . 1 1 46 46 ARG C C 13 178.192 0.000 . 1 . . . . 46 ARG C . 7022 1 322 . 1 1 46 46 ARG CA C 13 59.178 0.072 . 1 . . . . 46 ARG CA . 7022 1 323 . 1 1 46 46 ARG CB C 13 29.626 0.000 . 1 . . . . 46 ARG CB . 7022 1 324 . 1 1 46 46 ARG N N 15 118.898 0.094 . 1 . . . . 46 ARG N . 7022 1 325 . 1 1 47 47 ASN H H 1 8.299 0.014 . 1 . . . . 47 ASN HN . 7022 1 326 . 1 1 47 47 ASN HA H 1 4.285 0.015 . 1 . . . . 47 ASN HA . 7022 1 327 . 1 1 47 47 ASN HB2 H 1 2.825 0.010 . 2 . . . . 47 ASN HB1 . 7022 1 328 . 1 1 47 47 ASN HB3 H 1 2.671 0.012 . 2 . . . . 47 ASN HB2 . 7022 1 329 . 1 1 47 47 ASN C C 13 179.027 0.000 . 1 . . . . 47 ASN C . 7022 1 330 . 1 1 47 47 ASN CA C 13 55.647 0.115 . 1 . . . . 47 ASN CA . 7022 1 331 . 1 1 47 47 ASN CB C 13 36.195 0.055 . 1 . . . . 47 ASN CB . 7022 1 332 . 1 1 47 47 ASN N N 15 119.594 0.075 . 1 . . . . 47 ASN N . 7022 1 333 . 1 1 48 48 PHE H H 1 7.687 0.005 . 1 . . . . 48 PHE HN . 7022 1 334 . 1 1 48 48 PHE HA H 1 4.759 0.015 . 1 . . . . 48 PHE HA . 7022 1 335 . 1 1 48 48 PHE HB2 H 1 3.163 0.018 . 1 . . . . 48 PHE HB# . 7022 1 336 . 1 1 48 48 PHE HB3 H 1 3.163 0.018 . 1 . . . . 48 PHE HB# . 7022 1 337 . 1 1 48 48 PHE C C 13 177.561 0.000 . 1 . . . . 48 PHE C . 7022 1 338 . 1 1 48 48 PHE CA C 13 59.900 0.108 . 1 . . . . 48 PHE CA . 7022 1 339 . 1 1 48 48 PHE CB C 13 37.897 0.106 . 1 . . . . 48 PHE CB . 7022 1 340 . 1 1 48 48 PHE N N 15 120.995 0.067 . 1 . . . . 48 PHE N . 7022 1 341 . 1 1 49 49 LEU H H 1 8.162 0.008 . 1 . . . . 49 LEU HN . 7022 1 342 . 1 1 49 49 LEU HA H 1 4.201 0.010 . 1 . . . . 49 LEU HA . 7022 1 343 . 1 1 49 49 LEU HB2 H 1 2.281 0.007 . 2 . . . . 49 LEU HB1 . 7022 1 344 . 1 1 49 49 LEU HB3 H 1 1.149 0.015 . 2 . . . . 49 LEU HB2 . 7022 1 345 . 1 1 49 49 LEU HG H 1 1.953 0.026 . 1 . . . . 49 LEU HG . 7022 1 346 . 1 1 49 49 LEU HD11 H 1 0.776 0.012 . 2 . . . . 49 LEU HD1# . 7022 1 347 . 1 1 49 49 LEU HD12 H 1 0.776 0.012 . 2 . . . . 49 LEU HD1# . 7022 1 348 . 1 1 49 49 LEU HD13 H 1 0.776 0.012 . 2 . . . . 49 LEU HD1# . 7022 1 349 . 1 1 49 49 LEU HD21 H 1 0.947 0.019 . 2 . . . . 49 LEU HD2# . 7022 1 350 . 1 1 49 49 LEU HD22 H 1 0.947 0.019 . 2 . . . . 49 LEU HD2# . 7022 1 351 . 1 1 49 49 LEU HD23 H 1 0.947 0.019 . 2 . . . . 49 LEU HD2# . 7022 1 352 . 1 1 49 49 LEU C C 13 180.422 0.000 . 1 . . . . 49 LEU C . 7022 1 353 . 1 1 49 49 LEU CA C 13 57.923 0.114 . 1 . . . . 49 LEU CA . 7022 1 354 . 1 1 49 49 LEU CB C 13 42.133 0.098 . 1 . . . . 49 LEU CB . 7022 1 355 . 1 1 49 49 LEU CG C 13 26.825 0.089 . 1 . . . . 49 LEU CG . 7022 1 356 . 1 1 49 49 LEU CD1 C 13 25.236 0.069 . 2 . . . . 49 LEU CD1 . 7022 1 357 . 1 1 49 49 LEU CD2 C 13 27.699 0.100 . 2 . . . . 49 LEU CD2 . 7022 1 358 . 1 1 49 49 LEU N N 15 119.503 0.096 . 1 . . . . 49 LEU N . 7022 1 359 . 1 1 50 50 ARG H H 1 7.991 0.006 . 1 . . . . 50 ARG HN . 7022 1 360 . 1 1 50 50 ARG HA H 1 3.877 0.009 . 1 . . . . 50 ARG HA . 7022 1 361 . 1 1 50 50 ARG C C 13 175.111 0.000 . 1 . . . . 50 ARG C . 7022 1 362 . 1 1 50 50 ARG CA C 13 58.618 0.061 . 1 . . . . 50 ARG CA . 7022 1 363 . 1 1 50 50 ARG CB C 13 30.396 0.000 . 1 . . . . 50 ARG CB . 7022 1 364 . 1 1 50 50 ARG N N 15 115.039 0.062 . 1 . . . . 50 ARG N . 7022 1 365 . 1 1 51 51 ALA H H 1 7.597 0.006 . 1 . . . . 51 ALA HN . 7022 1 366 . 1 1 51 51 ALA HA H 1 4.494 0.010 . 1 . . . . 51 ALA HA . 7022 1 367 . 1 1 51 51 ALA HB1 H 1 1.820 0.011 . 1 . . . . 51 ALA HB# . 7022 1 368 . 1 1 51 51 ALA HB2 H 1 1.820 0.011 . 1 . . . . 51 ALA HB# . 7022 1 369 . 1 1 51 51 ALA HB3 H 1 1.820 0.011 . 1 . . . . 51 ALA HB# . 7022 1 370 . 1 1 51 51 ALA C C 13 178.061 0.000 . 1 . . . . 51 ALA C . 7022 1 371 . 1 1 51 51 ALA CA C 13 52.037 0.081 . 1 . . . . 51 ALA CA . 7022 1 372 . 1 1 51 51 ALA CB C 13 19.971 0.080 . 1 . . . . 51 ALA CB . 7022 1 373 . 1 1 51 51 ALA N N 15 121.603 0.075 . 1 . . . . 51 ALA N . 7022 1 374 . 1 1 52 52 MET H H 1 6.874 0.005 . 1 . . . . 52 MET HN . 7022 1 375 . 1 1 52 52 MET HA H 1 4.248 0.022 . 1 . . . . 52 MET HA . 7022 1 376 . 1 1 52 52 MET C C 13 175.995 0.031 . 1 . . . . 52 MET C . 7022 1 377 . 1 1 52 52 MET CA C 13 57.634 0.079 . 1 . . . . 52 MET CA . 7022 1 378 . 1 1 52 52 MET CB C 13 33.394 0.000 . 1 . . . . 52 MET CB . 7022 1 379 . 1 1 52 52 MET N N 15 119.373 0.070 . 1 . . . . 52 MET N . 7022 1 380 . 1 1 53 53 LYS H H 1 8.330 0.005 . 1 . . . . 53 LYS HN . 7022 1 381 . 1 1 53 53 LYS HA H 1 4.926 0.008 . 1 . . . . 53 LYS HA . 7022 1 382 . 1 1 53 53 LYS HB2 H 1 1.808 0.015 . 2 . . . . 53 LYS HB1 . 7022 1 383 . 1 1 53 53 LYS HB3 H 1 1.446 0.013 . 2 . . . . 53 LYS HB2 . 7022 1 384 . 1 1 53 53 LYS HG2 H 1 1.493 0.000 . 1 . . . . 53 LYS HG# . 7022 1 385 . 1 1 53 53 LYS HG3 H 1 1.493 0.000 . 1 . . . . 53 LYS HG# . 7022 1 386 . 1 1 53 53 LYS HD2 H 1 1.708 0.034 . 1 . . . . 53 LYS HD# . 7022 1 387 . 1 1 53 53 LYS HD3 H 1 1.708 0.034 . 1 . . . . 53 LYS HD# . 7022 1 388 . 1 1 53 53 LYS HE2 H 1 3.097 0.027 . 1 . . . . 53 LYS HE# . 7022 1 389 . 1 1 53 53 LYS HE3 H 1 3.097 0.027 . 1 . . . . 53 LYS HE# . 7022 1 390 . 1 1 53 53 LYS C C 13 176.015 0.000 . 1 . . . . 53 LYS C . 7022 1 391 . 1 1 53 53 LYS CA C 13 52.418 0.098 . 1 . . . . 53 LYS CA . 7022 1 392 . 1 1 53 53 LYS CB C 13 35.652 0.053 . 1 . . . . 53 LYS CB . 7022 1 393 . 1 1 53 53 LYS CG C 13 24.455 0.063 . 1 . . . . 53 LYS CG . 7022 1 394 . 1 1 53 53 LYS CD C 13 28.340 0.067 . 1 . . . . 53 LYS CD . 7022 1 395 . 1 1 53 53 LYS CE C 13 42.004 0.009 . 1 . . . . 53 LYS CE . 7022 1 396 . 1 1 53 53 LYS N N 15 121.461 0.044 . 1 . . . . 53 LYS N . 7022 1 397 . 1 1 54 54 LEU H H 1 9.445 0.006 . 1 . . . . 54 LEU HN . 7022 1 398 . 1 1 54 54 LEU HA H 1 3.664 0.010 . 1 . . . . 54 LEU HA . 7022 1 399 . 1 1 54 54 LEU HB2 H 1 1.615 0.010 . 2 . . . . 54 LEU HB1 . 7022 1 400 . 1 1 54 54 LEU HB3 H 1 1.474 0.011 . 2 . . . . 54 LEU HB2 . 7022 1 401 . 1 1 54 54 LEU HG H 1 1.765 0.015 . 1 . . . . 54 LEU HG . 7022 1 402 . 1 1 54 54 LEU HD11 H 1 0.911 0.014 . 2 . . . . 54 LEU HD1# . 7022 1 403 . 1 1 54 54 LEU HD12 H 1 0.911 0.014 . 2 . . . . 54 LEU HD1# . 7022 1 404 . 1 1 54 54 LEU HD13 H 1 0.911 0.014 . 2 . . . . 54 LEU HD1# . 7022 1 405 . 1 1 54 54 LEU HD21 H 1 0.819 0.018 . 2 . . . . 54 LEU HD2# . 7022 1 406 . 1 1 54 54 LEU HD22 H 1 0.819 0.018 . 2 . . . . 54 LEU HD2# . 7022 1 407 . 1 1 54 54 LEU HD23 H 1 0.819 0.018 . 2 . . . . 54 LEU HD2# . 7022 1 408 . 1 1 54 54 LEU C C 13 178.611 0.026 . 1 . . . . 54 LEU C . 7022 1 409 . 1 1 54 54 LEU CA C 13 56.353 0.088 . 1 . . . . 54 LEU CA . 7022 1 410 . 1 1 54 54 LEU CB C 13 42.637 0.044 . 1 . . . . 54 LEU CB . 7022 1 411 . 1 1 54 54 LEU CG C 13 26.532 0.020 . 1 . . . . 54 LEU CG . 7022 1 412 . 1 1 54 54 LEU CD1 C 13 25.230 0.016 . 2 . . . . 54 LEU CD1 . 7022 1 413 . 1 1 54 54 LEU CD2 C 13 24.066 0.090 . 2 . . . . 54 LEU CD2 . 7022 1 414 . 1 1 54 54 LEU N N 15 120.238 0.073 . 1 . . . . 54 LEU N . 7022 1 415 . 1 1 55 55 GLY H H 1 9.155 0.016 . 1 . . . . 55 GLY HN . 7022 1 416 . 1 1 55 55 GLY HA2 H 1 4.329 0.011 . 2 . . . . 55 GLY HA1 . 7022 1 417 . 1 1 55 55 GLY HA3 H 1 3.447 0.011 . 2 . . . . 55 GLY HA2 . 7022 1 418 . 1 1 55 55 GLY C C 13 174.542 0.026 . 1 . . . . 55 GLY C . 7022 1 419 . 1 1 55 55 GLY CA C 13 45.166 0.060 . 1 . . . . 55 GLY CA . 7022 1 420 . 1 1 55 55 GLY N N 15 111.740 0.037 . 1 . . . . 55 GLY N . 7022 1 421 . 1 1 56 56 GLU H H 1 8.031 0.008 . 1 . . . . 56 GLU HN . 7022 1 422 . 1 1 56 56 GLU HA H 1 4.284 0.017 . 1 . . . . 56 GLU HA . 7022 1 423 . 1 1 56 56 GLU HB2 H 1 1.784 0.005 . 2 . . . . 56 GLU HB1 . 7022 1 424 . 1 1 56 56 GLU HB3 H 1 1.619 0.000 . 2 . . . . 56 GLU HB2 . 7022 1 425 . 1 1 56 56 GLU HG2 H 1 2.372 0.000 . 1 . . . . 56 GLU HG# . 7022 1 426 . 1 1 56 56 GLU HG3 H 1 2.372 0.000 . 1 . . . . 56 GLU HG# . 7022 1 427 . 1 1 56 56 GLU C C 13 175.671 0.019 . 1 . . . . 56 GLU C . 7022 1 428 . 1 1 56 56 GLU CA C 13 57.202 0.120 . 1 . . . . 56 GLU CA . 7022 1 429 . 1 1 56 56 GLU CB C 13 29.800 0.154 . 1 . . . . 56 GLU CB . 7022 1 430 . 1 1 56 56 GLU CG C 13 36.335 0.117 . 1 . . . . 56 GLU CG . 7022 1 431 . 1 1 56 56 GLU N N 15 120.260 0.074 . 1 . . . . 56 GLU N . 7022 1 432 . 1 1 57 57 GLU H H 1 8.619 0.018 . 1 . . . . 57 GLU HN . 7022 1 433 . 1 1 57 57 GLU HA H 1 4.934 0.014 . 1 . . . . 57 GLU HA . 7022 1 434 . 1 1 57 57 GLU HB2 H 1 1.791 0.000 . 2 . . . . 57 GLU HB1 . 7022 1 435 . 1 1 57 57 GLU HB3 H 1 1.571 0.041 . 2 . . . . 57 GLU HB2 . 7022 1 436 . 1 1 57 57 GLU HG2 H 1 2.347 0.012 . 2 . . . . 57 GLU HG1 . 7022 1 437 . 1 1 57 57 GLU HG3 H 1 2.146 0.019 . 2 . . . . 57 GLU HG2 . 7022 1 438 . 1 1 57 57 GLU C C 13 175.509 0.009 . 1 . . . . 57 GLU C . 7022 1 439 . 1 1 57 57 GLU CA C 13 55.681 0.145 . 1 . . . . 57 GLU CA . 7022 1 440 . 1 1 57 57 GLU CB C 13 33.165 0.000 . 1 . . . . 57 GLU CB . 7022 1 441 . 1 1 57 57 GLU CG C 13 37.731 0.045 . 1 . . . . 57 GLU CG . 7022 1 442 . 1 1 57 57 GLU N N 15 118.390 0.062 . 1 . . . . 57 GLU N . 7022 1 443 . 1 1 58 58 ALA H H 1 8.712 0.020 . 1 . . . . 58 ALA HN . 7022 1 444 . 1 1 58 58 ALA HA H 1 5.407 0.009 . 1 . . . . 58 ALA HA . 7022 1 445 . 1 1 58 58 ALA HB1 H 1 0.933 0.019 . 1 . . . . 58 ALA HB# . 7022 1 446 . 1 1 58 58 ALA HB2 H 1 0.933 0.019 . 1 . . . . 58 ALA HB# . 7022 1 447 . 1 1 58 58 ALA HB3 H 1 0.933 0.019 . 1 . . . . 58 ALA HB# . 7022 1 448 . 1 1 58 58 ALA C C 13 177.219 0.000 . 1 . . . . 58 ALA C . 7022 1 449 . 1 1 58 58 ALA CA C 13 48.691 0.104 . 1 . . . . 58 ALA CA . 7022 1 450 . 1 1 58 58 ALA CB C 13 24.646 0.064 . 1 . . . . 58 ALA CB . 7022 1 451 . 1 1 58 58 ALA N N 15 119.576 0.053 . 1 . . . . 58 ALA N . 7022 1 452 . 1 1 59 59 PHE H H 1 9.060 0.005 . 1 . . . . 59 PHE HN . 7022 1 453 . 1 1 59 59 PHE HA H 1 5.456 0.013 . 1 . . . . 59 PHE HA . 7022 1 454 . 1 1 59 59 PHE HB2 H 1 3.255 0.009 . 2 . . . . 59 PHE HB1 . 7022 1 455 . 1 1 59 59 PHE HB3 H 1 2.914 0.030 . 2 . . . . 59 PHE HB2 . 7022 1 456 . 1 1 59 59 PHE C C 13 174.347 0.000 . 1 . . . . 59 PHE C . 7022 1 457 . 1 1 59 59 PHE CA C 13 57.159 0.176 . 1 . . . . 59 PHE CA . 7022 1 458 . 1 1 59 59 PHE CB C 13 41.261 0.067 . 1 . . . . 59 PHE CB . 7022 1 459 . 1 1 59 59 PHE N N 15 119.413 0.049 . 1 . . . . 59 PHE N . 7022 1 460 . 1 1 60 60 PHE H H 1 9.135 0.013 . 1 . . . . 60 PHE HN . 7022 1 461 . 1 1 60 60 PHE HA H 1 4.747 0.007 . 1 . . . . 60 PHE HA . 7022 1 462 . 1 1 60 60 PHE C C 13 173.735 0.000 . 1 . . . . 60 PHE C . 7022 1 463 . 1 1 60 60 PHE CA C 13 57.079 0.062 . 1 . . . . 60 PHE CA . 7022 1 464 . 1 1 60 60 PHE CB C 13 40.893 0.000 . 1 . . . . 60 PHE CB . 7022 1 465 . 1 1 60 60 PHE N N 15 125.945 0.081 . 1 . . . . 60 PHE N . 7022 1 466 . 1 1 61 61 TYR H H 1 8.967 0.005 . 1 . . . . 61 TYR HN . 7022 1 467 . 1 1 61 61 TYR HA H 1 5.112 0.010 . 1 . . . . 61 TYR HA . 7022 1 468 . 1 1 61 61 TYR C C 13 173.628 0.000 . 1 . . . . 61 TYR C . 7022 1 469 . 1 1 61 61 TYR CA C 13 56.729 0.132 . 1 . . . . 61 TYR CA . 7022 1 470 . 1 1 61 61 TYR CB C 13 40.951 0.000 . 1 . . . . 61 TYR CB . 7022 1 471 . 1 1 61 61 TYR N N 15 132.422 0.046 . 1 . . . . 61 TYR N . 7022 1 472 . 1 1 62 62 HIS H H 1 9.223 0.010 . 1 . . . . 62 HIS HN . 7022 1 473 . 1 1 62 62 HIS CA C 13 53.900 0.107 . 1 . . . . 62 HIS CA . 7022 1 474 . 1 1 62 62 HIS N N 15 129.422 0.139 . 1 . . . . 62 HIS N . 7022 1 475 . 1 1 66 66 LYS HA H 1 4.040 0.012 . 1 . . . . 66 LYS HA . 7022 1 476 . 1 1 66 66 LYS HB2 H 1 1.855 0.016 . 1 . . . . 66 LYS HB# . 7022 1 477 . 1 1 66 66 LYS HB3 H 1 1.855 0.016 . 1 . . . . 66 LYS HB# . 7022 1 478 . 1 1 66 66 LYS HG2 H 1 1.602 0.021 . 2 . . . . 66 LYS HG1 . 7022 1 479 . 1 1 66 66 LYS HG3 H 1 1.504 0.023 . 2 . . . . 66 LYS HG2 . 7022 1 480 . 1 1 66 66 LYS HD2 H 1 1.725 0.016 . 1 . . . . 66 LYS HD# . 7022 1 481 . 1 1 66 66 LYS HD3 H 1 1.725 0.016 . 1 . . . . 66 LYS HD# . 7022 1 482 . 1 1 66 66 LYS HE2 H 1 2.991 0.007 . 1 . . . . 66 LYS HE# . 7022 1 483 . 1 1 66 66 LYS HE3 H 1 2.991 0.007 . 1 . . . . 66 LYS HE# . 7022 1 484 . 1 1 66 66 LYS C C 13 177.232 0.000 . 1 . . . . 66 LYS C . 7022 1 485 . 1 1 66 66 LYS CA C 13 59.592 0.106 . 1 . . . . 66 LYS CA . 7022 1 486 . 1 1 66 66 LYS CB C 13 32.603 0.049 . 1 . . . . 66 LYS CB . 7022 1 487 . 1 1 66 66 LYS CG C 13 25.147 0.074 . 1 . . . . 66 LYS CG . 7022 1 488 . 1 1 66 66 LYS CD C 13 29.018 0.058 . 1 . . . . 66 LYS CD . 7022 1 489 . 1 1 66 66 LYS CE C 13 41.965 0.018 . 1 . . . . 66 LYS CE . 7022 1 490 . 1 1 67 67 GLU H H 1 8.052 0.003 . 1 . . . . 67 GLU HN . 7022 1 491 . 1 1 67 67 GLU HA H 1 4.918 0.013 . 1 . . . . 67 GLU HA . 7022 1 492 . 1 1 67 67 GLU HB2 H 1 1.943 0.023 . 2 . . . . 67 GLU HB1 . 7022 1 493 . 1 1 67 67 GLU HB3 H 1 1.721 0.020 . 2 . . . . 67 GLU HB2 . 7022 1 494 . 1 1 67 67 GLU HG2 H 1 2.169 0.021 . 2 . . . . 67 GLU HG1 . 7022 1 495 . 1 1 67 67 GLU HG3 H 1 2.089 0.024 . 2 . . . . 67 GLU HG2 . 7022 1 496 . 1 1 67 67 GLU CA C 13 52.916 0.079 . 1 . . . . 67 GLU CA . 7022 1 497 . 1 1 67 67 GLU CB C 13 30.553 0.064 . 1 . . . . 67 GLU CB . 7022 1 498 . 1 1 67 67 GLU CG C 13 36.472 0.075 . 1 . . . . 67 GLU CG . 7022 1 499 . 1 1 67 67 GLU N N 15 116.416 0.036 . 1 . . . . 67 GLU N . 7022 1 500 . 1 1 68 68 PRO HA H 1 4.603 0.005 . 1 . . . . 68 PRO HA . 7022 1 501 . 1 1 68 68 PRO C C 13 178.699 0.000 . 1 . . . . 68 PRO C . 7022 1 502 . 1 1 68 68 PRO CA C 13 62.525 0.000 . 1 . . . . 68 PRO CA . 7022 1 503 . 1 1 68 68 PRO CB C 13 33.301 0.000 . 1 . . . . 68 PRO CB . 7022 1 504 . 1 1 69 69 GLY H H 1 7.895 0.006 . 1 . . . . 69 GLY HN . 7022 1 505 . 1 1 69 69 GLY HA2 H 1 4.482 0.004 . 2 . . . . 69 GLY HA1 . 7022 1 506 . 1 1 69 69 GLY HA3 H 1 3.371 0.005 . 2 . . . . 69 GLY HA2 . 7022 1 507 . 1 1 69 69 GLY C C 13 171.356 0.000 . 1 . . . . 69 GLY C . 7022 1 508 . 1 1 69 69 GLY CA C 13 46.038 0.074 . 1 . . . . 69 GLY CA . 7022 1 509 . 1 1 69 69 GLY N N 15 107.404 0.060 . 1 . . . . 69 GLY N . 7022 1 510 . 1 1 70 70 ILE H H 1 8.408 0.006 . 1 . . . . 70 ILE HN . 7022 1 511 . 1 1 70 70 ILE HA H 1 3.925 0.023 . 1 . . . . 70 ILE HA . 7022 1 512 . 1 1 70 70 ILE HB H 1 1.393 0.013 . 1 . . . . 70 ILE HB . 7022 1 513 . 1 1 70 70 ILE HG12 H 1 1.654 0.011 . 2 . . . . 70 ILE HG11 . 7022 1 514 . 1 1 70 70 ILE HG13 H 1 0.792 0.021 . 2 . . . . 70 ILE HG12 . 7022 1 515 . 1 1 70 70 ILE HG21 H 1 0.649 0.014 . 1 . . . . 70 ILE HG2 . 7022 1 516 . 1 1 70 70 ILE HG22 H 1 0.649 0.014 . 1 . . . . 70 ILE HG2 . 7022 1 517 . 1 1 70 70 ILE HG23 H 1 0.649 0.014 . 1 . . . . 70 ILE HG2 . 7022 1 518 . 1 1 70 70 ILE HD11 H 1 0.324 0.017 . 1 . . . . 70 ILE HD1 . 7022 1 519 . 1 1 70 70 ILE HD12 H 1 0.324 0.017 . 1 . . . . 70 ILE HD1 . 7022 1 520 . 1 1 70 70 ILE HD13 H 1 0.324 0.017 . 1 . . . . 70 ILE HD1 . 7022 1 521 . 1 1 70 70 ILE C C 13 173.148 0.000 . 1 . . . . 70 ILE C . 7022 1 522 . 1 1 70 70 ILE CA C 13 62.463 0.164 . 1 . . . . 70 ILE CA . 7022 1 523 . 1 1 70 70 ILE CB C 13 39.885 0.079 . 1 . . . . 70 ILE CB . 7022 1 524 . 1 1 70 70 ILE CG1 C 13 29.903 0.104 . 1 . . . . 70 ILE CG1 . 7022 1 525 . 1 1 70 70 ILE CG2 C 13 17.436 0.193 . 1 . . . . 70 ILE CG2 . 7022 1 526 . 1 1 70 70 ILE CD1 C 13 14.660 0.053 . 1 . . . . 70 ILE CD1 . 7022 1 527 . 1 1 70 70 ILE N N 15 117.733 0.072 . 1 . . . . 70 ILE N . 7022 1 528 . 1 1 71 71 ALA H H 1 8.274 0.009 . 1 . . . . 71 ALA HN . 7022 1 529 . 1 1 71 71 ALA HA H 1 4.909 0.020 . 1 . . . . 71 ALA HA . 7022 1 530 . 1 1 71 71 ALA HB1 H 1 1.119 0.020 . 1 . . . . 71 ALA HB# . 7022 1 531 . 1 1 71 71 ALA HB2 H 1 1.119 0.020 . 1 . . . . 71 ALA HB# . 7022 1 532 . 1 1 71 71 ALA HB3 H 1 1.119 0.020 . 1 . . . . 71 ALA HB# . 7022 1 533 . 1 1 71 71 ALA C C 13 179.564 0.000 . 1 . . . . 71 ALA C . 7022 1 534 . 1 1 71 71 ALA CA C 13 51.806 0.111 . 1 . . . . 71 ALA CA . 7022 1 535 . 1 1 71 71 ALA CB C 13 21.475 0.159 . 1 . . . . 71 ALA CB . 7022 1 536 . 1 1 71 71 ALA N N 15 125.792 0.057 . 1 . . . . 71 ALA N . 7022 1 537 . 1 1 72 72 GLY H H 1 7.636 0.004 . 1 . . . . 72 GLY HN . 7022 1 538 . 1 1 72 72 GLY HA2 H 1 4.314 0.007 . 1 . . . . 72 GLY HA# . 7022 1 539 . 1 1 72 72 GLY HA3 H 1 4.314 0.007 . 1 . . . . 72 GLY HA# . 7022 1 540 . 1 1 72 72 GLY C C 13 169.180 0.000 . 1 . . . . 72 GLY C . 7022 1 541 . 1 1 72 72 GLY CA C 13 46.387 0.048 . 1 . . . . 72 GLY CA . 7022 1 542 . 1 1 72 72 GLY N N 15 102.552 0.050 . 1 . . . . 72 GLY N . 7022 1 543 . 1 1 73 73 LEU H H 1 9.232 0.005 . 1 . . . . 73 LEU HN . 7022 1 544 . 1 1 73 73 LEU HA H 1 5.366 0.016 . 1 . . . . 73 LEU HA . 7022 1 545 . 1 1 73 73 LEU HB2 H 1 1.567 0.012 . 2 . . . . 73 LEU HB1 . 7022 1 546 . 1 1 73 73 LEU HB3 H 1 1.354 0.012 . 2 . . . . 73 LEU HB2 . 7022 1 547 . 1 1 73 73 LEU HG H 1 1.655 0.019 . 1 . . . . 73 LEU HG . 7022 1 548 . 1 1 73 73 LEU HD11 H 1 0.885 0.008 . 2 . . . . 73 LEU HD1# . 7022 1 549 . 1 1 73 73 LEU HD12 H 1 0.885 0.008 . 2 . . . . 73 LEU HD1# . 7022 1 550 . 1 1 73 73 LEU HD13 H 1 0.885 0.008 . 2 . . . . 73 LEU HD1# . 7022 1 551 . 1 1 73 73 LEU HD21 H 1 0.850 0.024 . 2 . . . . 73 LEU HD2# . 7022 1 552 . 1 1 73 73 LEU HD22 H 1 0.850 0.024 . 2 . . . . 73 LEU HD2# . 7022 1 553 . 1 1 73 73 LEU HD23 H 1 0.850 0.024 . 2 . . . . 73 LEU HD2# . 7022 1 554 . 1 1 73 73 LEU C C 13 174.798 0.000 . 1 . . . . 73 LEU C . 7022 1 555 . 1 1 73 73 LEU CA C 13 54.484 0.099 . 1 . . . . 73 LEU CA . 7022 1 556 . 1 1 73 73 LEU CB C 13 48.316 0.046 . 1 . . . . 73 LEU CB . 7022 1 557 . 1 1 73 73 LEU CG C 13 28.287 0.127 . 1 . . . . 73 LEU CG . 7022 1 558 . 1 1 73 73 LEU CD1 C 13 25.449 0.053 . 2 . . . . 73 LEU CD1 . 7022 1 559 . 1 1 73 73 LEU N N 15 122.269 0.060 . 1 . . . . 73 LEU N . 7022 1 560 . 1 1 74 74 MET H H 1 9.412 0.013 . 1 . . . . 74 MET HN . 7022 1 561 . 1 1 74 74 MET HA H 1 5.290 0.021 . 1 . . . . 74 MET HA . 7022 1 562 . 1 1 74 74 MET HB2 H 1 2.058 0.013 . 2 . . . . 74 MET HB1 . 7022 1 563 . 1 1 74 74 MET HB3 H 1 1.916 0.030 . 2 . . . . 74 MET HB2 . 7022 1 564 . 1 1 74 74 MET HG2 H 1 2.510 0.015 . 2 . . . . 74 MET HG1 . 7022 1 565 . 1 1 74 74 MET HG3 H 1 2.381 0.023 . 2 . . . . 74 MET HG2 . 7022 1 566 . 1 1 74 74 MET C C 13 172.765 0.000 . 1 . . . . 74 MET C . 7022 1 567 . 1 1 74 74 MET CA C 13 54.265 0.101 . 1 . . . . 74 MET CA . 7022 1 568 . 1 1 74 74 MET CB C 13 38.351 0.031 . 1 . . . . 74 MET CB . 7022 1 569 . 1 1 74 74 MET CG C 13 31.535 0.052 . 1 . . . . 74 MET CG . 7022 1 570 . 1 1 74 74 MET N N 15 120.761 0.074 . 1 . . . . 74 MET N . 7022 1 571 . 1 1 75 75 LYS H H 1 9.065 0.017 . 1 . . . . 75 LYS HN . 7022 1 572 . 1 1 75 75 LYS HA H 1 5.630 0.008 . 1 . . . . 75 LYS HA . 7022 1 573 . 1 1 75 75 LYS HB2 H 1 1.615 0.022 . 2 . . . . 75 LYS HB1 . 7022 1 574 . 1 1 75 75 LYS HB3 H 1 1.529 0.025 . 2 . . . . 75 LYS HB2 . 7022 1 575 . 1 1 75 75 LYS HG2 H 1 1.258 0.011 . 2 . . . . 75 LYS HG1 . 7022 1 576 . 1 1 75 75 LYS HG3 H 1 1.178 0.023 . 2 . . . . 75 LYS HG2 . 7022 1 577 . 1 1 75 75 LYS HD2 H 1 1.587 0.009 . 1 . . . . 75 LYS HD# . 7022 1 578 . 1 1 75 75 LYS HD3 H 1 1.587 0.009 . 1 . . . . 75 LYS HD# . 7022 1 579 . 1 1 75 75 LYS HE2 H 1 2.853 0.008 . 1 . . . . 75 LYS HE# . 7022 1 580 . 1 1 75 75 LYS HE3 H 1 2.853 0.008 . 1 . . . . 75 LYS HE# . 7022 1 581 . 1 1 75 75 LYS C C 13 175.452 0.000 . 1 . . . . 75 LYS C . 7022 1 582 . 1 1 75 75 LYS CA C 13 53.881 0.094 . 1 . . . . 75 LYS CA . 7022 1 583 . 1 1 75 75 LYS CB C 13 36.816 0.077 . 1 . . . . 75 LYS CB . 7022 1 584 . 1 1 75 75 LYS CG C 13 24.213 0.068 . 1 . . . . 75 LYS CG . 7022 1 585 . 1 1 75 75 LYS CD C 13 29.622 0.158 . 1 . . . . 75 LYS CD . 7022 1 586 . 1 1 75 75 LYS CE C 13 41.939 0.063 . 1 . . . . 75 LYS CE . 7022 1 587 . 1 1 75 75 LYS N N 15 117.052 0.116 . 1 . . . . 75 LYS N . 7022 1 588 . 1 1 76 76 ILE H H 1 8.707 0.007 . 1 . . . . 76 ILE HN . 7022 1 589 . 1 1 76 76 ILE HA H 1 4.335 0.018 . 1 . . . . 76 ILE HA . 7022 1 590 . 1 1 76 76 ILE HB H 1 2.250 0.026 . 1 . . . . 76 ILE HB . 7022 1 591 . 1 1 76 76 ILE HG12 H 1 1.625 0.006 . 2 . . . . 76 ILE HG11 . 7022 1 592 . 1 1 76 76 ILE HG13 H 1 1.136 0.021 . 2 . . . . 76 ILE HG12 . 7022 1 593 . 1 1 76 76 ILE HG21 H 1 0.661 0.017 . 1 . . . . 76 ILE HG2 . 7022 1 594 . 1 1 76 76 ILE HG22 H 1 0.661 0.017 . 1 . . . . 76 ILE HG2 . 7022 1 595 . 1 1 76 76 ILE HG23 H 1 0.661 0.017 . 1 . . . . 76 ILE HG2 . 7022 1 596 . 1 1 76 76 ILE HD11 H 1 0.585 0.022 . 1 . . . . 76 ILE HD1 . 7022 1 597 . 1 1 76 76 ILE HD12 H 1 0.585 0.022 . 1 . . . . 76 ILE HD1 . 7022 1 598 . 1 1 76 76 ILE HD13 H 1 0.585 0.022 . 1 . . . . 76 ILE HD1 . 7022 1 599 . 1 1 76 76 ILE C C 13 177.674 0.000 . 1 . . . . 76 ILE C . 7022 1 600 . 1 1 76 76 ILE CA C 13 61.488 0.194 . 1 . . . . 76 ILE CA . 7022 1 601 . 1 1 76 76 ILE CB C 13 36.321 0.091 . 1 . . . . 76 ILE CB . 7022 1 602 . 1 1 76 76 ILE CG1 C 13 29.336 0.107 . 1 . . . . 76 ILE CG1 . 7022 1 603 . 1 1 76 76 ILE CG2 C 13 18.601 0.091 . 1 . . . . 76 ILE CG2 . 7022 1 604 . 1 1 76 76 ILE CD1 C 13 11.991 0.053 . 1 . . . . 76 ILE CD1 . 7022 1 605 . 1 1 76 76 ILE N N 15 122.730 0.102 . 1 . . . . 76 ILE N . 7022 1 606 . 1 1 77 77 VAL H H 1 8.712 0.006 . 1 . . . . 77 VAL HN . 7022 1 607 . 1 1 77 77 VAL HA H 1 4.709 0.010 . 1 . . . . 77 VAL HA . 7022 1 608 . 1 1 77 77 VAL HB H 1 2.507 0.014 . 1 . . . . 77 VAL HB . 7022 1 609 . 1 1 77 77 VAL HG11 H 1 0.715 0.012 . 2 . . . . 77 VAL HG1# . 7022 1 610 . 1 1 77 77 VAL HG12 H 1 0.715 0.012 . 2 . . . . 77 VAL HG1# . 7022 1 611 . 1 1 77 77 VAL HG13 H 1 0.715 0.012 . 2 . . . . 77 VAL HG1# . 7022 1 612 . 1 1 77 77 VAL HG21 H 1 0.925 0.013 . 2 . . . . 77 VAL HG2# . 7022 1 613 . 1 1 77 77 VAL HG22 H 1 0.925 0.013 . 2 . . . . 77 VAL HG2# . 7022 1 614 . 1 1 77 77 VAL HG23 H 1 0.925 0.013 . 2 . . . . 77 VAL HG2# . 7022 1 615 . 1 1 77 77 VAL C C 13 175.453 0.000 . 1 . . . . 77 VAL C . 7022 1 616 . 1 1 77 77 VAL CA C 13 61.354 0.147 . 1 . . . . 77 VAL CA . 7022 1 617 . 1 1 77 77 VAL CB C 13 33.237 0.049 . 1 . . . . 77 VAL CB . 7022 1 618 . 1 1 77 77 VAL CG1 C 13 19.311 0.050 . 2 . . . . 77 VAL CG1 . 7022 1 619 . 1 1 77 77 VAL CG2 C 13 22.885 0.051 . 2 . . . . 77 VAL CG2 . 7022 1 620 . 1 1 77 77 VAL N N 15 119.606 0.086 . 1 . . . . 77 VAL N . 7022 1 621 . 1 1 78 78 LYS H H 1 7.384 0.008 . 1 . . . . 78 LYS HN . 7022 1 622 . 1 1 78 78 LYS HA H 1 4.221 0.024 . 1 . . . . 78 LYS HA . 7022 1 623 . 1 1 78 78 LYS HB2 H 1 1.733 0.013 . 1 . . . . 78 LYS HB# . 7022 1 624 . 1 1 78 78 LYS HB3 H 1 1.733 0.013 . 1 . . . . 78 LYS HB# . 7022 1 625 . 1 1 78 78 LYS HG2 H 1 1.587 0.021 . 2 . . . . 78 LYS HG1 . 7022 1 626 . 1 1 78 78 LYS HG3 H 1 1.283 0.025 . 2 . . . . 78 LYS HG2 . 7022 1 627 . 1 1 78 78 LYS HD2 H 1 1.345 0.009 . 2 . . . . 78 LYS HD1 . 7022 1 628 . 1 1 78 78 LYS HD3 H 1 1.208 0.021 . 2 . . . . 78 LYS HD2 . 7022 1 629 . 1 1 78 78 LYS HE2 H 1 2.257 0.019 . 2 . . . . 78 LYS HE1 . 7022 1 630 . 1 1 78 78 LYS HE3 H 1 1.974 0.022 . 2 . . . . 78 LYS HE2 . 7022 1 631 . 1 1 78 78 LYS C C 13 175.169 0.026 . 1 . . . . 78 LYS C . 7022 1 632 . 1 1 78 78 LYS CA C 13 59.053 0.098 . 1 . . . . 78 LYS CA . 7022 1 633 . 1 1 78 78 LYS CB C 13 37.280 0.038 . 1 . . . . 78 LYS CB . 7022 1 634 . 1 1 78 78 LYS CG C 13 25.033 0.040 . 1 . . . . 78 LYS CG . 7022 1 635 . 1 1 78 78 LYS CD C 13 29.839 0.063 . 1 . . . . 78 LYS CD . 7022 1 636 . 1 1 78 78 LYS CE C 13 41.447 0.062 . 1 . . . . 78 LYS CE . 7022 1 637 . 1 1 78 78 LYS N N 15 123.602 0.062 . 1 . . . . 78 LYS N . 7022 1 638 . 1 1 79 79 GLU H H 1 8.445 0.009 . 1 . . . . 79 GLU HN . 7022 1 639 . 1 1 79 79 GLU HA H 1 3.885 0.003 . 1 . . . . 79 GLU HA . 7022 1 640 . 1 1 79 79 GLU C C 13 175.120 0.000 . 1 . . . . 79 GLU C . 7022 1 641 . 1 1 79 79 GLU CA C 13 56.708 0.091 . 1 . . . . 79 GLU CA . 7022 1 642 . 1 1 79 79 GLU CB C 13 30.183 0.000 . 1 . . . . 79 GLU CB . 7022 1 643 . 1 1 79 79 GLU N N 15 123.912 0.073 . 1 . . . . 79 GLU N . 7022 1 644 . 1 1 80 80 ALA H H 1 8.826 0.005 . 1 . . . . 80 ALA HN . 7022 1 645 . 1 1 80 80 ALA HA H 1 4.704 0.020 . 1 . . . . 80 ALA HA . 7022 1 646 . 1 1 80 80 ALA HB1 H 1 1.201 0.014 . 1 . . . . 80 ALA HB# . 7022 1 647 . 1 1 80 80 ALA HB2 H 1 1.201 0.014 . 1 . . . . 80 ALA HB# . 7022 1 648 . 1 1 80 80 ALA HB3 H 1 1.201 0.014 . 1 . . . . 80 ALA HB# . 7022 1 649 . 1 1 80 80 ALA C C 13 176.404 0.000 . 1 . . . . 80 ALA C . 7022 1 650 . 1 1 80 80 ALA CA C 13 52.786 0.133 . 1 . . . . 80 ALA CA . 7022 1 651 . 1 1 80 80 ALA CB C 13 19.700 0.087 . 1 . . . . 80 ALA CB . 7022 1 652 . 1 1 80 80 ALA N N 15 118.025 0.052 . 1 . . . . 80 ALA N . 7022 1 653 . 1 1 81 81 TYR H H 1 9.083 0.006 . 1 . . . . 81 TYR HN . 7022 1 654 . 1 1 81 81 TYR HA H 1 5.100 0.017 . 1 . . . . 81 TYR HA . 7022 1 655 . 1 1 81 81 TYR HB2 H 1 3.181 0.000 . 1 . . . . 81 TYR HB# . 7022 1 656 . 1 1 81 81 TYR HB3 H 1 3.181 0.000 . 1 . . . . 81 TYR HB# . 7022 1 657 . 1 1 81 81 TYR C C 13 172.595 0.000 . 1 . . . . 81 TYR C . 7022 1 658 . 1 1 81 81 TYR CA C 13 55.267 0.083 . 1 . . . . 81 TYR CA . 7022 1 659 . 1 1 81 81 TYR CB C 13 36.674 0.058 . 1 . . . . 81 TYR CB . 7022 1 660 . 1 1 81 81 TYR N N 15 120.896 0.061 . 1 . . . . 81 TYR N . 7022 1 661 . 1 1 82 82 PRO HA H 1 4.377 0.004 . 1 . . . . 82 PRO HA . 7022 1 662 . 1 1 82 82 PRO HB2 H 1 2.112 0.006 . 2 . . . . 82 PRO HB1 . 7022 1 663 . 1 1 82 82 PRO HB3 H 1 2.373 0.015 . 2 . . . . 82 PRO HB2 . 7022 1 664 . 1 1 82 82 PRO C C 13 175.751 0.000 . 1 . . . . 82 PRO C . 7022 1 665 . 1 1 82 82 PRO CA C 13 64.416 0.140 . 1 . . . . 82 PRO CA . 7022 1 666 . 1 1 82 82 PRO CB C 13 32.500 0.000 . 1 . . . . 82 PRO CB . 7022 1 667 . 1 1 83 83 ASP H H 1 6.807 0.035 . 1 . . . . 83 ASP HN . 7022 1 668 . 1 1 83 83 ASP HA H 1 4.867 0.020 . 1 . . . . 83 ASP HA . 7022 1 669 . 1 1 83 83 ASP HB2 H 1 2.982 0.010 . 2 . . . . 83 ASP HB1 . 7022 1 670 . 1 1 83 83 ASP HB3 H 1 2.762 0.014 . 2 . . . . 83 ASP HB2 . 7022 1 671 . 1 1 83 83 ASP C C 13 178.754 0.000 . 1 . . . . 83 ASP C . 7022 1 672 . 1 1 83 83 ASP CA C 13 52.063 0.077 . 1 . . . . 83 ASP CA . 7022 1 673 . 1 1 83 83 ASP CB C 13 41.733 0.182 . 1 . . . . 83 ASP CB . 7022 1 674 . 1 1 83 83 ASP N N 15 117.503 0.065 . 1 . . . . 83 ASP N . 7022 1 675 . 1 1 84 84 HIS H H 1 7.983 0.003 . 1 . . . . 84 HIS HN . 7022 1 676 . 1 1 84 84 HIS HA H 1 4.643 0.008 . 1 . . . . 84 HIS HA . 7022 1 677 . 1 1 84 84 HIS HB2 H 1 3.458 0.010 . 2 . . . . 84 HIS HB1 . 7022 1 678 . 1 1 84 84 HIS HB3 H 1 3.314 0.009 . 2 . . . . 84 HIS HB2 . 7022 1 679 . 1 1 84 84 HIS C C 13 177.548 0.000 . 1 . . . . 84 HIS C . 7022 1 680 . 1 1 84 84 HIS CA C 13 59.889 0.108 . 1 . . . . 84 HIS CA . 7022 1 681 . 1 1 84 84 HIS CB C 13 30.076 0.098 . 1 . . . . 84 HIS CB . 7022 1 682 . 1 1 84 84 HIS N N 15 128.838 0.047 . 1 . . . . 84 HIS N . 7022 1 683 . 1 1 85 85 THR H H 1 8.012 0.004 . 1 . . . . 85 THR HN . 7022 1 684 . 1 1 85 85 THR HA H 1 3.832 0.017 . 1 . . . . 85 THR HA . 7022 1 685 . 1 1 85 85 THR HB H 1 3.976 0.015 . 1 . . . . 85 THR HB . 7022 1 686 . 1 1 85 85 THR HG21 H 1 0.920 0.014 . 1 . . . . 85 THR HG# . 7022 1 687 . 1 1 85 85 THR HG22 H 1 0.920 0.014 . 1 . . . . 85 THR HG# . 7022 1 688 . 1 1 85 85 THR HG23 H 1 0.920 0.014 . 1 . . . . 85 THR HG# . 7022 1 689 . 1 1 85 85 THR C C 13 176.344 0.000 . 1 . . . . 85 THR C . 7022 1 690 . 1 1 85 85 THR CA C 13 64.843 0.127 . 1 . . . . 85 THR CA . 7022 1 691 . 1 1 85 85 THR CB C 13 69.665 0.057 . 1 . . . . 85 THR CB . 7022 1 692 . 1 1 85 85 THR CG2 C 13 21.612 0.038 . 1 . . . . 85 THR CG2 . 7022 1 693 . 1 1 85 85 THR N N 15 113.515 0.087 . 1 . . . . 85 THR N . 7022 1 694 . 1 1 86 86 GLN H H 1 6.857 0.012 . 1 . . . . 86 GLN HN . 7022 1 695 . 1 1 86 86 GLN HA H 1 4.406 0.012 . 1 . . . . 86 GLN HA . 7022 1 696 . 1 1 86 86 GLN C C 13 173.873 0.000 . 1 . . . . 86 GLN C . 7022 1 697 . 1 1 86 86 GLN CA C 13 56.558 0.054 . 1 . . . . 86 GLN CA . 7022 1 698 . 1 1 86 86 GLN CB C 13 29.902 0.000 . 1 . . . . 86 GLN CB . 7022 1 699 . 1 1 86 86 GLN N N 15 115.357 0.084 . 1 . . . . 86 GLN N . 7022 1 700 . 1 1 87 87 PHE H H 1 7.016 0.015 . 1 . . . . 87 PHE HN . 7022 1 701 . 1 1 87 87 PHE HA H 1 5.276 0.014 . 1 . . . . 87 PHE HA . 7022 1 702 . 1 1 87 87 PHE HB2 H 1 3.804 0.019 . 2 . . . . 87 PHE HB1 . 7022 1 703 . 1 1 87 87 PHE HB3 H 1 2.863 0.007 . 2 . . . . 87 PHE HB2 . 7022 1 704 . 1 1 87 87 PHE C C 13 175.610 0.000 . 1 . . . . 87 PHE C . 7022 1 705 . 1 1 87 87 PHE CA C 13 56.515 0.063 . 1 . . . . 87 PHE CA . 7022 1 706 . 1 1 87 87 PHE CB C 13 40.439 0.060 . 1 . . . . 87 PHE CB . 7022 1 707 . 1 1 87 87 PHE N N 15 115.735 0.075 . 1 . . . . 87 PHE N . 7022 1 708 . 1 1 88 88 GLU H H 1 7.121 0.006 . 1 . . . . 88 GLU HN . 7022 1 709 . 1 1 88 88 GLU HA H 1 4.375 0.015 . 1 . . . . 88 GLU HA . 7022 1 710 . 1 1 88 88 GLU HB2 H 1 2.056 0.017 . 1 . . . . 88 GLU HB# . 7022 1 711 . 1 1 88 88 GLU HB3 H 1 2.056 0.017 . 1 . . . . 88 GLU HB# . 7022 1 712 . 1 1 88 88 GLU HG2 H 1 2.433 0.010 . 2 . . . . 88 GLU HG1 . 7022 1 713 . 1 1 88 88 GLU HG3 H 1 2.218 0.007 . 2 . . . . 88 GLU HG2 . 7022 1 714 . 1 1 88 88 GLU C C 13 174.965 0.000 . 1 . . . . 88 GLU C . 7022 1 715 . 1 1 88 88 GLU CA C 13 55.575 0.110 . 1 . . . . 88 GLU CA . 7022 1 716 . 1 1 88 88 GLU CB C 13 30.505 0.065 . 1 . . . . 88 GLU CB . 7022 1 717 . 1 1 88 88 GLU CG C 13 36.374 0.045 . 1 . . . . 88 GLU CG . 7022 1 718 . 1 1 88 88 GLU N N 15 121.842 0.088 . 1 . . . . 88 GLU N . 7022 1 719 . 1 1 89 89 LYS H H 1 8.163 0.004 . 1 . . . . 89 LYS HN . 7022 1 720 . 1 1 89 89 LYS HA H 1 2.087 0.013 . 1 . . . . 89 LYS HA . 7022 1 721 . 1 1 89 89 LYS HB2 H 1 1.376 0.012 . 1 . . . . 89 LYS HB# . 7022 1 722 . 1 1 89 89 LYS HB3 H 1 1.376 0.012 . 1 . . . . 89 LYS HB# . 7022 1 723 . 1 1 89 89 LYS HG2 H 1 1.198 0.012 . 2 . . . . 89 LYS HG1 . 7022 1 724 . 1 1 89 89 LYS HG3 H 1 1.057 0.015 . 2 . . . . 89 LYS HG2 . 7022 1 725 . 1 1 89 89 LYS HD2 H 1 1.569 0.011 . 1 . . . . 89 LYS HD# . 7022 1 726 . 1 1 89 89 LYS HD3 H 1 1.569 0.011 . 1 . . . . 89 LYS HD# . 7022 1 727 . 1 1 89 89 LYS HE2 H 1 2.992 0.014 . 1 . . . . 89 LYS HE# . 7022 1 728 . 1 1 89 89 LYS HE3 H 1 2.992 0.014 . 1 . . . . 89 LYS HE# . 7022 1 729 . 1 1 89 89 LYS C C 13 176.678 0.000 . 1 . . . . 89 LYS C . 7022 1 730 . 1 1 89 89 LYS CA C 13 58.418 0.091 . 1 . . . . 89 LYS CA . 7022 1 731 . 1 1 89 89 LYS CB C 13 32.406 0.060 . 1 . . . . 89 LYS CB . 7022 1 732 . 1 1 89 89 LYS CG C 13 25.466 0.086 . 1 . . . . 89 LYS CG . 7022 1 733 . 1 1 89 89 LYS CD C 13 29.409 0.085 . 1 . . . . 89 LYS CD . 7022 1 734 . 1 1 89 89 LYS CE C 13 42.051 0.016 . 1 . . . . 89 LYS CE . 7022 1 735 . 1 1 89 89 LYS N N 15 125.841 0.055 . 1 . . . . 89 LYS N . 7022 1 736 . 1 1 90 90 ASN H H 1 8.250 0.004 . 1 . . . . 90 ASN HN . 7022 1 737 . 1 1 90 90 ASN HA H 1 4.618 0.018 . 1 . . . . 90 ASN HA . 7022 1 738 . 1 1 90 90 ASN HB2 H 1 2.801 0.020 . 1 . . . . 90 ASN HB# . 7022 1 739 . 1 1 90 90 ASN HB3 H 1 2.801 0.020 . 1 . . . . 90 ASN HB# . 7022 1 740 . 1 1 90 90 ASN HD21 H 1 7.550 0.034 . 2 . . . . 90 ASN HD21 . 7022 1 741 . 1 1 90 90 ASN HD22 H 1 6.887 0.003 . 2 . . . . 90 ASN HD22 . 7022 1 742 . 1 1 90 90 ASN C C 13 174.491 0.050 . 1 . . . . 90 ASN C . 7022 1 743 . 1 1 90 90 ASN CA C 13 52.818 0.075 . 1 . . . . 90 ASN CA . 7022 1 744 . 1 1 90 90 ASN CB C 13 38.007 0.051 . 1 . . . . 90 ASN CB . 7022 1 745 . 1 1 90 90 ASN CG C 13 177.570 0.026 . 1 . . . . 90 ASN CG . 7022 1 746 . 1 1 90 90 ASN N N 15 113.800 0.044 . 1 . . . . 90 ASN N . 7022 1 747 . 1 1 90 90 ASN ND2 N 15 112.428 0.097 . 1 . . . . 90 ASN ND2 . 7022 1 748 . 1 1 91 91 ASN H H 1 8.037 0.011 . 1 . . . . 91 ASN HN . 7022 1 749 . 1 1 91 91 ASN HA H 1 4.929 0.019 . 1 . . . . 91 ASN HA . 7022 1 750 . 1 1 91 91 ASN HB2 H 1 3.089 0.022 . 2 . . . . 91 ASN HB1 . 7022 1 751 . 1 1 91 91 ASN HB3 H 1 3.026 0.021 . 2 . . . . 91 ASN HB2 . 7022 1 752 . 1 1 91 91 ASN HD21 H 1 8.005 0.008 . 2 . . . . 91 ASN HD21 . 7022 1 753 . 1 1 91 91 ASN HD22 H 1 7.151 0.001 . 2 . . . . 91 ASN HD22 . 7022 1 754 . 1 1 91 91 ASN C C 13 174.993 0.000 . 1 . . . . 91 ASN C . 7022 1 755 . 1 1 91 91 ASN CA C 13 52.266 0.156 . 1 . . . . 91 ASN CA . 7022 1 756 . 1 1 91 91 ASN CB C 13 41.954 0.115 . 1 . . . . 91 ASN CB . 7022 1 757 . 1 1 91 91 ASN CG C 13 176.621 0.002 . 1 . . . . 91 ASN CG . 7022 1 758 . 1 1 91 91 ASN N N 15 122.604 0.078 . 1 . . . . 91 ASN N . 7022 1 759 . 1 1 91 91 ASN ND2 N 15 115.026 0.084 . 1 . . . . 91 ASN ND2 . 7022 1 760 . 1 1 92 92 PRO HA H 1 4.257 0.020 . 1 . . . . 92 PRO HA . 7022 1 761 . 1 1 92 92 PRO HB2 H 1 1.226 0.012 . 2 . . . . 92 PRO HB1 . 7022 1 762 . 1 1 92 92 PRO HB3 H 1 2.148 0.012 . 2 . . . . 92 PRO HB2 . 7022 1 763 . 1 1 92 92 PRO HG2 H 1 1.819 0.011 . 2 . . . . 92 PRO HG1 . 7022 1 764 . 1 1 92 92 PRO HG3 H 1 1.383 0.011 . 2 . . . . 92 PRO HG2 . 7022 1 765 . 1 1 92 92 PRO HD2 H 1 3.624 0.041 . 2 . . . . 92 PRO HD1 . 7022 1 766 . 1 1 92 92 PRO HD3 H 1 3.492 0.008 . 2 . . . . 92 PRO HD2 . 7022 1 767 . 1 1 92 92 PRO C C 13 176.556 0.000 . 1 . . . . 92 PRO C . 7022 1 768 . 1 1 92 92 PRO CA C 13 64.791 0.118 . 1 . . . . 92 PRO CA . 7022 1 769 . 1 1 92 92 PRO CB C 13 32.212 0.082 . 1 . . . . 92 PRO CB . 7022 1 770 . 1 1 92 92 PRO CG C 13 27.318 0.057 . 1 . . . . 92 PRO CG . 7022 1 771 . 1 1 92 92 PRO CD C 13 51.008 0.268 . 1 . . . . 92 PRO CD . 7022 1 772 . 1 1 93 93 HIS H H 1 9.306 0.004 . 1 . . . . 93 HIS HN . 7022 1 773 . 1 1 93 93 HIS HA H 1 4.929 0.014 . 1 . . . . 93 HIS HA . 7022 1 774 . 1 1 93 93 HIS HB2 H 1 2.778 0.000 . 2 . . . . 93 HIS HB1 . 7022 1 775 . 1 1 93 93 HIS HB3 H 1 2.639 0.000 . 2 . . . . 93 HIS HB2 . 7022 1 776 . 1 1 93 93 HIS C C 13 175.061 0.044 . 1 . . . . 93 HIS C . 7022 1 777 . 1 1 93 93 HIS CA C 13 53.105 0.133 . 1 . . . . 93 HIS CA . 7022 1 778 . 1 1 93 93 HIS CB C 13 27.504 0.075 . 1 . . . . 93 HIS CB . 7022 1 779 . 1 1 93 93 HIS N N 15 114.800 0.068 . 1 . . . . 93 HIS N . 7022 1 780 . 1 1 94 94 TYR H H 1 7.623 0.006 . 1 . . . . 94 TYR HN . 7022 1 781 . 1 1 94 94 TYR HA H 1 4.346 0.024 . 1 . . . . 94 TYR HA . 7022 1 782 . 1 1 94 94 TYR HB2 H 1 4.034 0.000 . 2 . . . . 94 TYR HB1 . 7022 1 783 . 1 1 94 94 TYR HB3 H 1 2.595 0.000 . 2 . . . . 94 TYR HB2 . 7022 1 784 . 1 1 94 94 TYR C C 13 175.913 0.000 . 1 . . . . 94 TYR C . 7022 1 785 . 1 1 94 94 TYR CA C 13 57.910 0.117 . 1 . . . . 94 TYR CA . 7022 1 786 . 1 1 94 94 TYR CB C 13 39.323 0.031 . 1 . . . . 94 TYR CB . 7022 1 787 . 1 1 94 94 TYR N N 15 124.505 0.039 . 1 . . . . 94 TYR N . 7022 1 788 . 1 1 95 95 ASP H H 1 8.696 0.008 . 1 . . . . 95 ASP HN . 7022 1 789 . 1 1 95 95 ASP HA H 1 5.097 0.008 . 1 . . . . 95 ASP HA . 7022 1 790 . 1 1 95 95 ASP HB2 H 1 3.046 0.020 . 2 . . . . 95 ASP HB1 . 7022 1 791 . 1 1 95 95 ASP HB3 H 1 2.412 0.030 . 2 . . . . 95 ASP HB2 . 7022 1 792 . 1 1 95 95 ASP CA C 13 49.873 0.058 . 1 . . . . 95 ASP CA . 7022 1 793 . 1 1 95 95 ASP CB C 13 42.718 0.084 . 1 . . . . 95 ASP CB . 7022 1 794 . 1 1 95 95 ASP N N 15 127.403 0.053 . 1 . . . . 95 ASP N . 7022 1 795 . 1 1 96 96 PRO HA H 1 4.125 0.015 . 1 . . . . 96 PRO HA . 7022 1 796 . 1 1 96 96 PRO HB2 H 1 2.383 0.018 . 2 . . . . 96 PRO HB1 . 7022 1 797 . 1 1 96 96 PRO HB3 H 1 2.064 0.028 . 2 . . . . 96 PRO HB2 . 7022 1 798 . 1 1 96 96 PRO C C 13 176.791 0.000 . 1 . . . . 96 PRO C . 7022 1 799 . 1 1 96 96 PRO CA C 13 63.553 0.137 . 1 . . . . 96 PRO CA . 7022 1 800 . 1 1 96 96 PRO CB C 13 32.003 0.125 . 1 . . . . 96 PRO CB . 7022 1 801 . 1 1 97 97 SER H H 1 8.385 0.005 . 1 . . . . 97 SER HN . 7022 1 802 . 1 1 97 97 SER HA H 1 4.443 0.021 . 1 . . . . 97 SER HA . 7022 1 803 . 1 1 97 97 SER HB2 H 1 4.009 0.016 . 2 . . . . 97 SER HB1 . 7022 1 804 . 1 1 97 97 SER HB3 H 1 3.849 0.021 . 2 . . . . 97 SER HB2 . 7022 1 805 . 1 1 97 97 SER C C 13 174.292 0.027 . 1 . . . . 97 SER C . 7022 1 806 . 1 1 97 97 SER CA C 13 59.009 0.103 . 1 . . . . 97 SER CA . 7022 1 807 . 1 1 97 97 SER CB C 13 64.415 0.048 . 1 . . . . 97 SER CB . 7022 1 808 . 1 1 97 97 SER N N 15 114.214 0.061 . 1 . . . . 97 SER N . 7022 1 809 . 1 1 98 98 SER H H 1 7.380 0.005 . 1 . . . . 98 SER HN . 7022 1 810 . 1 1 98 98 SER HA H 1 4.515 0.011 . 1 . . . . 98 SER HA . 7022 1 811 . 1 1 98 98 SER HB2 H 1 3.880 0.012 . 2 . . . . 98 SER HB1 . 7022 1 812 . 1 1 98 98 SER HB3 H 1 3.563 0.019 . 2 . . . . 98 SER HB2 . 7022 1 813 . 1 1 98 98 SER C C 13 174.322 0.000 . 1 . . . . 98 SER C . 7022 1 814 . 1 1 98 98 SER CA C 13 57.096 0.094 . 1 . . . . 98 SER CA . 7022 1 815 . 1 1 98 98 SER CB C 13 63.587 0.048 . 1 . . . . 98 SER CB . 7022 1 816 . 1 1 98 98 SER N N 15 117.768 0.053 . 1 . . . . 98 SER N . 7022 1 817 . 1 1 99 99 LYS H H 1 9.313 0.006 . 1 . . . . 99 LYS HN . 7022 1 818 . 1 1 99 99 LYS HA H 1 4.727 0.009 . 1 . . . . 99 LYS HA . 7022 1 819 . 1 1 99 99 LYS HB2 H 1 1.983 0.018 . 2 . . . . 99 LYS HB1 . 7022 1 820 . 1 1 99 99 LYS HB3 H 1 1.776 0.020 . 2 . . . . 99 LYS HB2 . 7022 1 821 . 1 1 99 99 LYS HG2 H 1 1.587 0.017 . 2 . . . . 99 LYS HG1 . 7022 1 822 . 1 1 99 99 LYS HG3 H 1 1.469 0.014 . 2 . . . . 99 LYS HG2 . 7022 1 823 . 1 1 99 99 LYS HD2 H 1 1.726 0.014 . 1 . . . . 99 LYS HD# . 7022 1 824 . 1 1 99 99 LYS HD3 H 1 1.726 0.014 . 1 . . . . 99 LYS HD# . 7022 1 825 . 1 1 99 99 LYS HE2 H 1 3.019 0.009 . 1 . . . . 99 LYS HE# . 7022 1 826 . 1 1 99 99 LYS HE3 H 1 3.019 0.009 . 1 . . . . 99 LYS HE# . 7022 1 827 . 1 1 99 99 LYS C C 13 177.837 0.000 . 1 . . . . 99 LYS C . 7022 1 828 . 1 1 99 99 LYS CA C 13 54.619 0.065 . 1 . . . . 99 LYS CA . 7022 1 829 . 1 1 99 99 LYS CB C 13 34.347 0.089 . 1 . . . . 99 LYS CB . 7022 1 830 . 1 1 99 99 LYS CG C 13 24.689 0.105 . 1 . . . . 99 LYS CG . 7022 1 831 . 1 1 99 99 LYS CD C 13 28.573 0.083 . 1 . . . . 99 LYS CD . 7022 1 832 . 1 1 99 99 LYS CE C 13 42.116 0.053 . 1 . . . . 99 LYS CE . 7022 1 833 . 1 1 99 99 LYS N N 15 128.174 0.062 . 1 . . . . 99 LYS N . 7022 1 834 . 1 1 100 100 GLU H H 1 8.999 0.004 . 1 . . . . 100 GLU HN . 7022 1 835 . 1 1 100 100 GLU HA H 1 3.511 0.020 . 1 . . . . 100 GLU HA . 7022 1 836 . 1 1 100 100 GLU HB2 H 1 1.630 0.030 . 1 . . . . 100 GLU HB# . 7022 1 837 . 1 1 100 100 GLU HB3 H 1 1.630 0.030 . 1 . . . . 100 GLU HB# . 7022 1 838 . 1 1 100 100 GLU HG2 H 1 1.536 0.021 . 1 . . . . 100 GLU HG# . 7022 1 839 . 1 1 100 100 GLU HG3 H 1 1.536 0.021 . 1 . . . . 100 GLU HG# . 7022 1 840 . 1 1 100 100 GLU C C 13 176.916 0.000 . 1 . . . . 100 GLU C . 7022 1 841 . 1 1 100 100 GLU CA C 13 59.672 0.141 . 1 . . . . 100 GLU CA . 7022 1 842 . 1 1 100 100 GLU CB C 13 29.386 0.075 . 1 . . . . 100 GLU CB . 7022 1 843 . 1 1 100 100 GLU CG C 13 36.508 0.068 . 1 . . . . 100 GLU CG . 7022 1 844 . 1 1 100 100 GLU N N 15 122.026 0.068 . 1 . . . . 100 GLU N . 7022 1 845 . 1 1 101 101 ASP H H 1 8.137 0.004 . 1 . . . . 101 ASP HN . 7022 1 846 . 1 1 101 101 ASP HA H 1 4.380 0.015 . 1 . . . . 101 ASP HA . 7022 1 847 . 1 1 101 101 ASP HB2 H 1 2.682 0.017 . 2 . . . . 101 ASP HB1 . 7022 1 848 . 1 1 101 101 ASP HB3 H 1 2.585 0.017 . 2 . . . . 101 ASP HB2 . 7022 1 849 . 1 1 101 101 ASP C C 13 176.413 0.000 . 1 . . . . 101 ASP C . 7022 1 850 . 1 1 101 101 ASP CA C 13 54.392 0.069 . 1 . . . . 101 ASP CA . 7022 1 851 . 1 1 101 101 ASP CB C 13 40.047 0.061 . 1 . . . . 101 ASP CB . 7022 1 852 . 1 1 101 101 ASP N N 15 113.652 0.085 . 1 . . . . 101 ASP N . 7022 1 853 . 1 1 102 102 ASN H H 1 7.357 0.012 . 1 . . . . 102 ASN HN . 7022 1 854 . 1 1 102 102 ASN HA H 1 4.813 0.022 . 1 . . . . 102 ASN HA . 7022 1 855 . 1 1 102 102 ASN HB2 H 1 2.628 0.012 . 1 . . . . 102 ASN HB# . 7022 1 856 . 1 1 102 102 ASN HB3 H 1 2.628 0.012 . 1 . . . . 102 ASN HB# . 7022 1 857 . 1 1 102 102 ASN HD21 H 1 7.494 0.013 . 2 . . . . 102 ASN HD21 . 7022 1 858 . 1 1 102 102 ASN HD22 H 1 6.688 0.053 . 2 . . . . 102 ASN HD22 . 7022 1 859 . 1 1 102 102 ASN C C 13 176.383 0.000 . 1 . . . . 102 ASN C . 7022 1 860 . 1 1 102 102 ASN CA C 13 51.825 0.098 . 1 . . . . 102 ASN CA . 7022 1 861 . 1 1 102 102 ASN CB C 13 38.012 0.045 . 1 . . . . 102 ASN CB . 7022 1 862 . 1 1 102 102 ASN CG C 13 178.073 0.019 . 1 . . . . 102 ASN CG . 7022 1 863 . 1 1 102 102 ASN N N 15 114.654 0.048 . 1 . . . . 102 ASN N . 7022 1 864 . 1 1 102 102 ASN ND2 N 15 110.984 0.127 . 1 . . . . 102 ASN ND2 . 7022 1 865 . 1 1 103 103 PRO HA H 1 4.383 0.022 . 1 . . . . 103 PRO HA . 7022 1 866 . 1 1 103 103 PRO HB2 H 1 2.355 0.023 . 2 . . . . 103 PRO HB1 . 7022 1 867 . 1 1 103 103 PRO HB3 H 1 1.918 0.046 . 2 . . . . 103 PRO HB2 . 7022 1 868 . 1 1 103 103 PRO C C 13 177.717 0.000 . 1 . . . . 103 PRO C . 7022 1 869 . 1 1 103 103 PRO CA C 13 63.918 0.155 . 1 . . . . 103 PRO CA . 7022 1 870 . 1 1 103 103 PRO CB C 13 32.436 0.033 . 1 . . . . 103 PRO CB . 7022 1 871 . 1 1 103 103 PRO CG C 13 24.601 0.000 . 1 . . . . 103 PRO CG . 7022 1 872 . 1 1 103 103 PRO CD C 13 49.936 0.000 . 1 . . . . 103 PRO CD . 7022 1 873 . 1 1 104 104 LYS H H 1 7.625 0.004 . 1 . . . . 104 LYS HN . 7022 1 874 . 1 1 104 104 LYS HA H 1 3.620 0.019 . 1 . . . . 104 LYS HA . 7022 1 875 . 1 1 104 104 LYS HB2 H 1 0.872 0.013 . 2 . . . . 104 LYS HB1 . 7022 1 876 . 1 1 104 104 LYS HB3 H 1 0.400 0.014 . 2 . . . . 104 LYS HB2 . 7022 1 877 . 1 1 104 104 LYS HG2 H 1 1.081 0.010 . 2 . . . . 104 LYS HG1 . 7022 1 878 . 1 1 104 104 LYS HG3 H 1 0.481 0.019 . 2 . . . . 104 LYS HG2 . 7022 1 879 . 1 1 104 104 LYS HD2 H 1 1.347 0.013 . 1 . . . . 104 LYS HD# . 7022 1 880 . 1 1 104 104 LYS HD3 H 1 1.347 0.013 . 1 . . . . 104 LYS HD# . 7022 1 881 . 1 1 104 104 LYS HE2 H 1 2.794 0.012 . 2 . . . . 104 LYS HE1 . 7022 1 882 . 1 1 104 104 LYS HE3 H 1 2.696 0.022 . 2 . . . . 104 LYS HE2 . 7022 1 883 . 1 1 104 104 LYS C C 13 176.203 0.000 . 1 . . . . 104 LYS C . 7022 1 884 . 1 1 104 104 LYS CA C 13 59.206 0.130 . 1 . . . . 104 LYS CA . 7022 1 885 . 1 1 104 104 LYS CB C 13 32.984 0.068 . 1 . . . . 104 LYS CB . 7022 1 886 . 1 1 104 104 LYS CG C 13 25.201 0.090 . 1 . . . . 104 LYS CG . 7022 1 887 . 1 1 104 104 LYS CD C 13 29.381 0.080 . 1 . . . . 104 LYS CD . 7022 1 888 . 1 1 104 104 LYS CE C 13 41.886 0.048 . 1 . . . . 104 LYS CE . 7022 1 889 . 1 1 104 104 LYS N N 15 124.549 0.063 . 1 . . . . 104 LYS N . 7022 1 890 . 1 1 105 105 TRP H H 1 7.816 0.003 . 1 . . . . 105 TRP HN . 7022 1 891 . 1 1 105 105 TRP HA H 1 5.196 0.034 . 1 . . . . 105 TRP HA . 7022 1 892 . 1 1 105 105 TRP HB2 H 1 3.512 0.022 . 2 . . . . 105 TRP HB1 . 7022 1 893 . 1 1 105 105 TRP HB3 H 1 2.534 0.028 . 2 . . . . 105 TRP HB2 . 7022 1 894 . 1 1 105 105 TRP HE1 H 1 11.973 0.002 . 1 . . . . 105 TRP HE . 7022 1 895 . 1 1 105 105 TRP C C 13 178.247 0.000 . 1 . . . . 105 TRP C . 7022 1 896 . 1 1 105 105 TRP CA C 13 55.284 0.120 . 1 . . . . 105 TRP CA . 7022 1 897 . 1 1 105 105 TRP CB C 13 32.814 0.000 . 1 . . . . 105 TRP CB . 7022 1 898 . 1 1 105 105 TRP N N 15 112.615 0.051 . 1 . . . . 105 TRP N . 7022 1 899 . 1 1 105 105 TRP NE1 N 15 133.718 0.016 . 1 . . . . 105 TRP NE . 7022 1 900 . 1 1 106 106 SER H H 1 8.030 0.006 . 1 . . . . 106 SER HN . 7022 1 901 . 1 1 106 106 SER HA H 1 5.278 0.008 . 1 . . . . 106 SER HA . 7022 1 902 . 1 1 106 106 SER HB2 H 1 3.897 0.010 . 2 . . . . 106 SER HB1 . 7022 1 903 . 1 1 106 106 SER HB3 H 1 3.142 0.014 . 2 . . . . 106 SER HB2 . 7022 1 904 . 1 1 106 106 SER C C 13 171.632 0.000 . 1 . . . . 106 SER C . 7022 1 905 . 1 1 106 106 SER CA C 13 58.190 0.094 . 1 . . . . 106 SER CA . 7022 1 906 . 1 1 106 106 SER CB C 13 67.276 0.078 . 1 . . . . 106 SER CB . 7022 1 907 . 1 1 106 106 SER N N 15 117.713 0.075 . 1 . . . . 106 SER N . 7022 1 908 . 1 1 107 107 MET H H 1 9.734 0.007 . 1 . . . . 107 MET HN . 7022 1 909 . 1 1 107 107 MET HA H 1 4.686 0.021 . 1 . . . . 107 MET HA . 7022 1 910 . 1 1 107 107 MET C C 13 171.050 0.000 . 1 . . . . 107 MET C . 7022 1 911 . 1 1 107 107 MET CA C 13 54.624 0.080 . 1 . . . . 107 MET CA . 7022 1 912 . 1 1 107 107 MET CB C 13 37.310 0.000 . 1 . . . . 107 MET CB . 7022 1 913 . 1 1 107 107 MET N N 15 120.965 0.045 . 1 . . . . 107 MET N . 7022 1 914 . 1 1 108 108 VAL H H 1 6.346 0.010 . 1 . . . . 108 VAL HN . 7022 1 915 . 1 1 108 108 VAL HA H 1 4.702 0.014 . 1 . . . . 108 VAL HA . 7022 1 916 . 1 1 108 108 VAL HB H 1 2.625 0.011 . 1 . . . . 108 VAL HB . 7022 1 917 . 1 1 108 108 VAL HG11 H 1 0.603 0.015 . 2 . . . . 108 VAL HG1# . 7022 1 918 . 1 1 108 108 VAL HG12 H 1 0.603 0.015 . 2 . . . . 108 VAL HG1# . 7022 1 919 . 1 1 108 108 VAL HG13 H 1 0.603 0.015 . 2 . . . . 108 VAL HG1# . 7022 1 920 . 1 1 108 108 VAL HG21 H 1 0.895 0.015 . 2 . . . . 108 VAL HG2# . 7022 1 921 . 1 1 108 108 VAL HG22 H 1 0.895 0.015 . 2 . . . . 108 VAL HG2# . 7022 1 922 . 1 1 108 108 VAL HG23 H 1 0.895 0.015 . 2 . . . . 108 VAL HG2# . 7022 1 923 . 1 1 108 108 VAL C C 13 174.408 0.000 . 1 . . . . 108 VAL C . 7022 1 924 . 1 1 108 108 VAL CA C 13 58.869 0.176 . 1 . . . . 108 VAL CA . 7022 1 925 . 1 1 108 108 VAL CB C 13 35.437 0.091 . 1 . . . . 108 VAL CB . 7022 1 926 . 1 1 108 108 VAL CG1 C 13 17.108 0.071 . 2 . . . . 108 VAL CG1 . 7022 1 927 . 1 1 108 108 VAL CG2 C 13 21.611 0.125 . 2 . . . . 108 VAL CG2 . 7022 1 928 . 1 1 108 108 VAL N N 15 106.067 0.067 . 1 . . . . 108 VAL N . 7022 1 929 . 1 1 109 109 ASP H H 1 8.154 0.008 . 1 . . . . 109 ASP HN . 7022 1 930 . 1 1 109 109 ASP HA H 1 6.059 0.011 . 1 . . . . 109 ASP HA . 7022 1 931 . 1 1 109 109 ASP HB2 H 1 2.586 0.018 . 2 . . . . 109 ASP HB1 . 7022 1 932 . 1 1 109 109 ASP HB3 H 1 2.287 0.021 . 2 . . . . 109 ASP HB2 . 7022 1 933 . 1 1 109 109 ASP C C 13 176.579 0.000 . 1 . . . . 109 ASP C . 7022 1 934 . 1 1 109 109 ASP CA C 13 53.385 0.122 . 1 . . . . 109 ASP CA . 7022 1 935 . 1 1 109 109 ASP CB C 13 41.922 0.057 . 1 . . . . 109 ASP CB . 7022 1 936 . 1 1 109 109 ASP N N 15 117.993 0.078 . 1 . . . . 109 ASP N . 7022 1 937 . 1 1 110 110 VAL H H 1 8.943 0.008 . 1 . . . . 110 VAL HN . 7022 1 938 . 1 1 110 110 VAL HA H 1 5.474 0.017 . 1 . . . . 110 VAL HA . 7022 1 939 . 1 1 110 110 VAL HB H 1 2.051 0.019 . 1 . . . . 110 VAL HB . 7022 1 940 . 1 1 110 110 VAL HG11 H 1 1.233 0.010 . 2 . . . . 110 VAL HG1# . 7022 1 941 . 1 1 110 110 VAL HG12 H 1 1.233 0.010 . 2 . . . . 110 VAL HG1# . 7022 1 942 . 1 1 110 110 VAL HG13 H 1 1.233 0.010 . 2 . . . . 110 VAL HG1# . 7022 1 943 . 1 1 110 110 VAL HG21 H 1 0.638 0.012 . 2 . . . . 110 VAL HG2# . 7022 1 944 . 1 1 110 110 VAL HG22 H 1 0.638 0.012 . 2 . . . . 110 VAL HG2# . 7022 1 945 . 1 1 110 110 VAL HG23 H 1 0.638 0.012 . 2 . . . . 110 VAL HG2# . 7022 1 946 . 1 1 110 110 VAL C C 13 173.356 0.000 . 1 . . . . 110 VAL C . 7022 1 947 . 1 1 110 110 VAL CA C 13 58.265 0.184 . 1 . . . . 110 VAL CA . 7022 1 948 . 1 1 110 110 VAL CB C 13 36.109 0.089 . 1 . . . . 110 VAL CB . 7022 1 949 . 1 1 110 110 VAL CG1 C 13 20.414 0.131 . 2 . . . . 110 VAL CG1 . 7022 1 950 . 1 1 110 110 VAL CG2 C 13 22.260 0.089 . 2 . . . . 110 VAL CG2 . 7022 1 951 . 1 1 110 110 VAL N N 15 113.940 0.057 . 1 . . . . 110 VAL N . 7022 1 952 . 1 1 111 111 GLN H H 1 9.205 0.005 . 1 . . . . 111 GLN HN . 7022 1 953 . 1 1 111 111 GLN HA H 1 5.635 0.014 . 1 . . . . 111 GLN HA . 7022 1 954 . 1 1 111 111 GLN HG2 H 1 2.577 0.000 . 1 . . . . 111 GLN HG# . 7022 1 955 . 1 1 111 111 GLN HG3 H 1 2.577 0.000 . 1 . . . . 111 GLN HG# . 7022 1 956 . 1 1 111 111 GLN C C 13 176.112 0.000 . 1 . . . . 111 GLN C . 7022 1 957 . 1 1 111 111 GLN CA C 13 53.269 0.096 . 1 . . . . 111 GLN CA . 7022 1 958 . 1 1 111 111 GLN CB C 13 34.840 0.000 . 1 . . . . 111 GLN CB . 7022 1 959 . 1 1 111 111 GLN CG C 13 33.861 0.000 . 1 . . . . 111 GLN CG . 7022 1 960 . 1 1 111 111 GLN N N 15 120.246 0.062 . 1 . . . . 111 GLN N . 7022 1 961 . 1 1 112 112 PHE H H 1 8.893 0.005 . 1 . . . . 112 PHE HN . 7022 1 962 . 1 1 112 112 PHE HA H 1 4.069 0.011 . 1 . . . . 112 PHE HA . 7022 1 963 . 1 1 112 112 PHE HB2 H 1 3.002 0.017 . 1 . . . . 112 PHE HB# . 7022 1 964 . 1 1 112 112 PHE HB3 H 1 3.002 0.017 . 1 . . . . 112 PHE HB# . 7022 1 965 . 1 1 112 112 PHE C C 13 173.259 0.000 . 1 . . . . 112 PHE C . 7022 1 966 . 1 1 112 112 PHE CA C 13 60.342 0.081 . 1 . . . . 112 PHE CA . 7022 1 967 . 1 1 112 112 PHE CB C 13 41.117 0.009 . 1 . . . . 112 PHE CB . 7022 1 968 . 1 1 112 112 PHE N N 15 126.126 0.049 . 1 . . . . 112 PHE N . 7022 1 969 . 1 1 113 113 VAL H H 1 8.294 0.010 . 1 . . . . 113 VAL HN . 7022 1 970 . 1 1 113 113 VAL HA H 1 3.905 0.013 . 1 . . . . 113 VAL HA . 7022 1 971 . 1 1 113 113 VAL HB H 1 1.409 0.018 . 1 . . . . 113 VAL HB . 7022 1 972 . 1 1 113 113 VAL HG11 H 1 0.895 0.011 . 2 . . . . 113 VAL HG1# . 7022 1 973 . 1 1 113 113 VAL HG12 H 1 0.895 0.011 . 2 . . . . 113 VAL HG1# . 7022 1 974 . 1 1 113 113 VAL HG13 H 1 0.895 0.011 . 2 . . . . 113 VAL HG1# . 7022 1 975 . 1 1 113 113 VAL HG21 H 1 0.821 0.025 . 2 . . . . 113 VAL HG2# . 7022 1 976 . 1 1 113 113 VAL HG22 H 1 0.821 0.025 . 2 . . . . 113 VAL HG2# . 7022 1 977 . 1 1 113 113 VAL HG23 H 1 0.821 0.025 . 2 . . . . 113 VAL HG2# . 7022 1 978 . 1 1 113 113 VAL C C 13 174.699 0.000 . 1 . . . . 113 VAL C . 7022 1 979 . 1 1 113 113 VAL CA C 13 64.182 0.211 . 1 . . . . 113 VAL CA . 7022 1 980 . 1 1 113 113 VAL CB C 13 33.711 0.069 . 1 . . . . 113 VAL CB . 7022 1 981 . 1 1 113 113 VAL CG1 C 13 21.435 0.091 . 2 . . . . 113 VAL CG1 . 7022 1 982 . 1 1 113 113 VAL CG2 C 13 20.506 0.080 . 2 . . . . 113 VAL CG2 . 7022 1 983 . 1 1 113 113 VAL N N 15 126.938 0.056 . 1 . . . . 113 VAL N . 7022 1 984 . 1 1 114 114 ARG H H 1 6.812 0.014 . 1 . . . . 114 ARG HN . 7022 1 985 . 1 1 114 114 ARG HA H 1 4.228 0.004 . 1 . . . . 114 ARG HA . 7022 1 986 . 1 1 114 114 ARG C C 13 174.731 0.000 . 1 . . . . 114 ARG C . 7022 1 987 . 1 1 114 114 ARG CA C 13 55.990 0.108 . 1 . . . . 114 ARG CA . 7022 1 988 . 1 1 114 114 ARG CB C 13 30.847 0.000 . 1 . . . . 114 ARG CB . 7022 1 989 . 1 1 114 114 ARG N N 15 109.044 0.068 . 1 . . . . 114 ARG N . 7022 1 990 . 1 1 115 115 MET H H 1 8.775 0.004 . 1 . . . . 115 MET HN . 7022 1 991 . 1 1 115 115 MET HA H 1 5.038 0.005 . 1 . . . . 115 MET HA . 7022 1 992 . 1 1 115 115 MET C C 13 179.777 0.000 . 1 . . . . 115 MET C . 7022 1 993 . 1 1 115 115 MET CA C 13 53.619 0.067 . 1 . . . . 115 MET CA . 7022 1 994 . 1 1 115 115 MET CB C 13 31.274 0.000 . 1 . . . . 115 MET CB . 7022 1 995 . 1 1 115 115 MET N N 15 117.963 0.059 . 1 . . . . 115 MET N . 7022 1 996 . 1 1 116 116 MET H H 1 7.294 0.008 . 1 . . . . 116 MET HN . 7022 1 997 . 1 1 116 116 MET HA H 1 4.779 0.010 . 1 . . . . 116 MET HA . 7022 1 998 . 1 1 116 116 MET C C 13 178.518 0.000 . 1 . . . . 116 MET C . 7022 1 999 . 1 1 116 116 MET CA C 13 54.582 0.066 . 1 . . . . 116 MET CA . 7022 1 1000 . 1 1 116 116 MET CB C 13 32.398 0.000 . 1 . . . . 116 MET CB . 7022 1 1001 . 1 1 116 116 MET N N 15 121.230 0.074 . 1 . . . . 116 MET N . 7022 1 1002 . 1 1 117 117 LYS H H 1 10.631 0.006 . 1 . . . . 117 LYS HN . 7022 1 1003 . 1 1 117 117 LYS HA H 1 3.861 0.010 . 1 . . . . 117 LYS HA . 7022 1 1004 . 1 1 117 117 LYS HB2 H 1 1.828 0.015 . 2 . . . . 117 LYS HB1 . 7022 1 1005 . 1 1 117 117 LYS HB3 H 1 1.733 0.010 . 2 . . . . 117 LYS HB2 . 7022 1 1006 . 1 1 117 117 LYS HG2 H 1 1.333 0.024 . 1 . . . . 117 LYS HG# . 7022 1 1007 . 1 1 117 117 LYS HG3 H 1 1.333 0.024 . 1 . . . . 117 LYS HG# . 7022 1 1008 . 1 1 117 117 LYS HD2 H 1 1.652 0.015 . 2 . . . . 117 LYS HD1 . 7022 1 1009 . 1 1 117 117 LYS HD3 H 1 1.544 0.019 . 2 . . . . 117 LYS HD2 . 7022 1 1010 . 1 1 117 117 LYS HE2 H 1 2.867 0.014 . 2 . . . . 117 LYS HE1 . 7022 1 1011 . 1 1 117 117 LYS HE3 H 1 2.783 0.003 . 2 . . . . 117 LYS HE2 . 7022 1 1012 . 1 1 117 117 LYS C C 13 177.015 0.000 . 1 . . . . 117 LYS C . 7022 1 1013 . 1 1 117 117 LYS CA C 13 59.945 0.134 . 1 . . . . 117 LYS CA . 7022 1 1014 . 1 1 117 117 LYS CB C 13 32.645 0.077 . 1 . . . . 117 LYS CB . 7022 1 1015 . 1 1 117 117 LYS CG C 13 25.152 0.088 . 1 . . . . 117 LYS CG . 7022 1 1016 . 1 1 117 117 LYS CD C 13 29.483 0.080 . 1 . . . . 117 LYS CD . 7022 1 1017 . 1 1 117 117 LYS CE C 13 41.643 0.030 . 1 . . . . 117 LYS CE . 7022 1 1018 . 1 1 117 117 LYS N N 15 125.074 0.028 . 1 . . . . 117 LYS N . 7022 1 1019 . 1 1 118 118 ARG H H 1 7.187 0.010 . 1 . . . . 118 ARG HN . 7022 1 1020 . 1 1 118 118 ARG HA H 1 4.396 0.014 . 1 . . . . 118 ARG HA . 7022 1 1021 . 1 1 118 118 ARG C C 13 172.331 0.000 . 1 . . . . 118 ARG C . 7022 1 1022 . 1 1 118 118 ARG CA C 13 53.809 0.057 . 1 . . . . 118 ARG CA . 7022 1 1023 . 1 1 118 118 ARG CB C 13 32.572 0.157 . 1 . . . . 118 ARG CB . 7022 1 1024 . 1 1 118 118 ARG N N 15 110.346 0.064 . 1 . . . . 118 ARG N . 7022 1 1025 . 1 1 119 119 PHE H H 1 8.384 0.010 . 1 . . . . 119 PHE HN . 7022 1 1026 . 1 1 119 119 PHE HA H 1 4.271 0.020 . 1 . . . . 119 PHE HA . 7022 1 1027 . 1 1 119 119 PHE C C 13 175.694 0.000 . 1 . . . . 119 PHE C . 7022 1 1028 . 1 1 119 119 PHE CA C 13 59.032 0.154 . 1 . . . . 119 PHE CA . 7022 1 1029 . 1 1 119 119 PHE CB C 13 40.120 0.177 . 1 . . . . 119 PHE CB . 7022 1 1030 . 1 1 119 119 PHE N N 15 121.752 0.037 . 1 . . . . 119 PHE N . 7022 1 1031 . 1 1 120 120 ILE H H 1 7.066 0.021 . 1 . . . . 120 ILE HN . 7022 1 1032 . 1 1 120 120 ILE HA H 1 4.576 0.016 . 1 . . . . 120 ILE HA . 7022 1 1033 . 1 1 120 120 ILE HB H 1 1.648 0.012 . 1 . . . . 120 ILE HB . 7022 1 1034 . 1 1 120 120 ILE HG12 H 1 1.315 0.014 . 2 . . . . 120 ILE HG11 . 7022 1 1035 . 1 1 120 120 ILE HG13 H 1 1.083 0.009 . 2 . . . . 120 ILE HG12 . 7022 1 1036 . 1 1 120 120 ILE HG21 H 1 0.652 0.011 . 1 . . . . 120 ILE HG2 . 7022 1 1037 . 1 1 120 120 ILE HG22 H 1 0.652 0.011 . 1 . . . . 120 ILE HG2 . 7022 1 1038 . 1 1 120 120 ILE HG23 H 1 0.652 0.011 . 1 . . . . 120 ILE HG2 . 7022 1 1039 . 1 1 120 120 ILE HD11 H 1 0.496 0.012 . 1 . . . . 120 ILE HD . 7022 1 1040 . 1 1 120 120 ILE HD12 H 1 0.496 0.012 . 1 . . . . 120 ILE HD . 7022 1 1041 . 1 1 120 120 ILE HD13 H 1 0.496 0.012 . 1 . . . . 120 ILE HD . 7022 1 1042 . 1 1 120 120 ILE CA C 13 56.457 0.103 . 1 . . . . 120 ILE CA . 7022 1 1043 . 1 1 120 120 ILE CB C 13 38.258 0.101 . 1 . . . . 120 ILE CB . 7022 1 1044 . 1 1 120 120 ILE CG1 C 13 26.307 0.087 . 1 . . . . 120 ILE CG1 . 7022 1 1045 . 1 1 120 120 ILE CG2 C 13 17.136 0.092 . 1 . . . . 120 ILE CG2 . 7022 1 1046 . 1 1 120 120 ILE CD1 C 13 12.588 0.064 . 1 . . . . 120 ILE CD1 . 7022 1 1047 . 1 1 120 120 ILE N N 15 127.184 0.044 . 1 . . . . 120 ILE N . 7022 1 1048 . 1 1 121 121 PRO HA H 1 4.621 0.017 . 1 . . . . 121 PRO HA . 7022 1 1049 . 1 1 121 121 PRO HB2 H 1 2.723 0.015 . 2 . . . . 121 PRO HB1 . 7022 1 1050 . 1 1 121 121 PRO HB3 H 1 2.184 0.015 . 2 . . . . 121 PRO HB2 . 7022 1 1051 . 1 1 121 121 PRO HG2 H 1 2.185 0.019 . 1 . . . . 121 PRO HG# . 7022 1 1052 . 1 1 121 121 PRO HG3 H 1 2.185 0.019 . 1 . . . . 121 PRO HG# . 7022 1 1053 . 1 1 121 121 PRO HD2 H 1 3.716 0.018 . 1 . . . . 121 PRO HD# . 7022 1 1054 . 1 1 121 121 PRO HD3 H 1 3.716 0.018 . 1 . . . . 121 PRO HD# . 7022 1 1055 . 1 1 121 121 PRO C C 13 177.881 0.000 . 1 . . . . 121 PRO C . 7022 1 1056 . 1 1 121 121 PRO CA C 13 62.578 0.209 . 1 . . . . 121 PRO CA . 7022 1 1057 . 1 1 121 121 PRO CB C 13 33.492 0.064 . 1 . . . . 121 PRO CB . 7022 1 1058 . 1 1 121 121 PRO CG C 13 27.939 0.055 . 1 . . . . 121 PRO CG . 7022 1 1059 . 1 1 121 121 PRO CD C 13 50.287 0.036 . 1 . . . . 121 PRO CD . 7022 1 1060 . 1 1 122 122 LEU H H 1 8.710 0.006 . 1 . . . . 122 LEU HN . 7022 1 1061 . 1 1 122 122 LEU HA H 1 4.160 0.013 . 1 . . . . 122 LEU HA . 7022 1 1062 . 1 1 122 122 LEU HB2 H 1 1.849 0.000 . 1 . . . . 122 LEU HB# . 7022 1 1063 . 1 1 122 122 LEU HB3 H 1 1.849 0.000 . 1 . . . . 122 LEU HB# . 7022 1 1064 . 1 1 122 122 LEU HG H 1 1.790 0.017 . 1 . . . . 122 LEU HG . 7022 1 1065 . 1 1 122 122 LEU HD11 H 1 1.204 0.010 . 2 . . . . 122 LEU HD1# . 7022 1 1066 . 1 1 122 122 LEU HD12 H 1 1.204 0.010 . 2 . . . . 122 LEU HD1# . 7022 1 1067 . 1 1 122 122 LEU HD13 H 1 1.204 0.010 . 2 . . . . 122 LEU HD1# . 7022 1 1068 . 1 1 122 122 LEU HD21 H 1 1.124 0.018 . 2 . . . . 122 LEU HD2# . 7022 1 1069 . 1 1 122 122 LEU HD22 H 1 1.124 0.018 . 2 . . . . 122 LEU HD2# . 7022 1 1070 . 1 1 122 122 LEU HD23 H 1 1.124 0.018 . 2 . . . . 122 LEU HD2# . 7022 1 1071 . 1 1 122 122 LEU C C 13 177.969 0.000 . 1 . . . . 122 LEU C . 7022 1 1072 . 1 1 122 122 LEU CA C 13 58.352 0.062 . 1 . . . . 122 LEU CA . 7022 1 1073 . 1 1 122 122 LEU CB C 13 41.460 0.087 . 1 . . . . 122 LEU CB . 7022 1 1074 . 1 1 122 122 LEU CG C 13 27.458 0.023 . 1 . . . . 122 LEU CG . 7022 1 1075 . 1 1 122 122 LEU CD1 C 13 22.718 0.002 . 2 . . . . 122 LEU CD1 . 7022 1 1076 . 1 1 122 122 LEU CD2 C 13 25.289 0.083 . 2 . . . . 122 LEU CD2 . 7022 1 1077 . 1 1 122 122 LEU N N 15 125.256 0.053 . 1 . . . . 122 LEU N . 7022 1 1078 . 1 1 123 123 ALA H H 1 8.885 0.008 . 1 . . . . 123 ALA HN . 7022 1 1079 . 1 1 123 123 ALA HA H 1 4.071 0.011 . 1 . . . . 123 ALA HA . 7022 1 1080 . 1 1 123 123 ALA HB1 H 1 1.486 0.008 . 1 . . . . 123 ALA HB# . 7022 1 1081 . 1 1 123 123 ALA HB2 H 1 1.486 0.008 . 1 . . . . 123 ALA HB# . 7022 1 1082 . 1 1 123 123 ALA HB3 H 1 1.486 0.008 . 1 . . . . 123 ALA HB# . 7022 1 1083 . 1 1 123 123 ALA C C 13 180.090 0.000 . 1 . . . . 123 ALA C . 7022 1 1084 . 1 1 123 123 ALA CA C 13 55.566 0.090 . 1 . . . . 123 ALA CA . 7022 1 1085 . 1 1 123 123 ALA CB C 13 18.754 0.070 . 1 . . . . 123 ALA CB . 7022 1 1086 . 1 1 123 123 ALA N N 15 117.331 0.068 . 1 . . . . 123 ALA N . 7022 1 1087 . 1 1 124 124 GLU H H 1 7.114 0.012 . 1 . . . . 124 GLU HN . 7022 1 1088 . 1 1 124 124 GLU HA H 1 4.027 0.017 . 1 . . . . 124 GLU HA . 7022 1 1089 . 1 1 124 124 GLU C C 13 178.554 0.000 . 1 . . . . 124 GLU C . 7022 1 1090 . 1 1 124 124 GLU CA C 13 58.743 0.082 . 1 . . . . 124 GLU CA . 7022 1 1091 . 1 1 124 124 GLU CB C 13 30.707 0.000 . 1 . . . . 124 GLU CB . 7022 1 1092 . 1 1 124 124 GLU N N 15 118.773 0.049 . 1 . . . . 124 GLU N . 7022 1 1093 . 1 1 125 125 LEU H H 1 7.578 0.013 . 1 . . . . 125 LEU HN . 7022 1 1094 . 1 1 125 125 LEU HA H 1 4.038 0.018 . 1 . . . . 125 LEU HA . 7022 1 1095 . 1 1 125 125 LEU HB2 H 1 2.451 0.007 . 2 . . . . 125 LEU HB1 . 7022 1 1096 . 1 1 125 125 LEU HB3 H 1 1.591 0.022 . 2 . . . . 125 LEU HB2 . 7022 1 1097 . 1 1 125 125 LEU HD11 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1098 . 1 1 125 125 LEU HD12 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1099 . 1 1 125 125 LEU HD13 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1100 . 1 1 125 125 LEU HD21 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1101 . 1 1 125 125 LEU HD22 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1102 . 1 1 125 125 LEU HD23 H 1 0.767 0.007 . 2 . . . . 125 LEU HD# . 7022 1 1103 . 1 1 125 125 LEU C C 13 177.980 0.000 . 1 . . . . 125 LEU C . 7022 1 1104 . 1 1 125 125 LEU CA C 13 58.428 0.135 . 1 . . . . 125 LEU CA . 7022 1 1105 . 1 1 125 125 LEU CB C 13 42.037 0.122 . 1 . . . . 125 LEU CB . 7022 1 1106 . 1 1 125 125 LEU CD1 C 13 23.630 0.000 . 1 . . . . 125 LEU CD# . 7022 1 1107 . 1 1 125 125 LEU CD2 C 13 23.630 0.000 . 1 . . . . 125 LEU CD# . 7022 1 1108 . 1 1 125 125 LEU N N 15 118.233 0.097 . 1 . . . . 125 LEU N . 7022 1 1109 . 1 1 126 126 LYS H H 1 9.296 0.006 . 1 . . . . 126 LYS HN . 7022 1 1110 . 1 1 126 126 LYS HA H 1 3.142 0.014 . 1 . . . . 126 LYS HA . 7022 1 1111 . 1 1 126 126 LYS HB2 H 1 1.862 0.019 . 1 . . . . 126 LYS HB# . 7022 1 1112 . 1 1 126 126 LYS HB3 H 1 1.862 0.019 . 1 . . . . 126 LYS HB# . 7022 1 1113 . 1 1 126 126 LYS HG2 H 1 1.570 0.004 . 2 . . . . 126 LYS HG1 . 7022 1 1114 . 1 1 126 126 LYS HG3 H 1 1.474 0.017 . 2 . . . . 126 LYS HG2 . 7022 1 1115 . 1 1 126 126 LYS HD2 H 1 1.727 0.027 . 2 . . . . 126 LYS HD1 . 7022 1 1116 . 1 1 126 126 LYS HD3 H 1 1.590 0.020 . 2 . . . . 126 LYS HD2 . 7022 1 1117 . 1 1 126 126 LYS HE2 H 1 3.007 0.019 . 1 . . . . 126 LYS HE# . 7022 1 1118 . 1 1 126 126 LYS HE3 H 1 3.007 0.019 . 1 . . . . 126 LYS HE# . 7022 1 1119 . 1 1 126 126 LYS C C 13 177.861 0.000 . 1 . . . . 126 LYS C . 7022 1 1120 . 1 1 126 126 LYS CA C 13 59.555 0.103 . 1 . . . . 126 LYS CA . 7022 1 1121 . 1 1 126 126 LYS CB C 13 32.611 0.088 . 1 . . . . 126 LYS CB . 7022 1 1122 . 1 1 126 126 LYS CG C 13 25.289 0.183 . 1 . . . . 126 LYS CG . 7022 1 1123 . 1 1 126 126 LYS CD C 13 29.315 0.092 . 1 . . . . 126 LYS CD . 7022 1 1124 . 1 1 126 126 LYS CE C 13 41.932 0.042 . 1 . . . . 126 LYS CE . 7022 1 1125 . 1 1 126 126 LYS N N 15 119.141 0.054 . 1 . . . . 126 LYS N . 7022 1 1126 . 1 1 127 127 SER H H 1 7.488 0.012 . 1 . . . . 127 SER HN . 7022 1 1127 . 1 1 127 127 SER HA H 1 4.091 0.012 . 1 . . . . 127 SER HA . 7022 1 1128 . 1 1 127 127 SER HB2 H 1 3.801 0.013 . 1 . . . . 127 SER HB# . 7022 1 1129 . 1 1 127 127 SER HB3 H 1 3.801 0.013 . 1 . . . . 127 SER HB# . 7022 1 1130 . 1 1 127 127 SER C C 13 178.070 0.000 . 1 . . . . 127 SER C . 7022 1 1131 . 1 1 127 127 SER CA C 13 61.558 0.126 . 1 . . . . 127 SER CA . 7022 1 1132 . 1 1 127 127 SER CB C 13 62.349 0.036 . 1 . . . . 127 SER CB . 7022 1 1133 . 1 1 127 127 SER N N 15 114.546 0.043 . 1 . . . . 127 SER N . 7022 1 1134 . 1 1 128 128 TYR H H 1 7.542 0.005 . 1 . . . . 128 TYR HN . 7022 1 1135 . 1 1 128 128 TYR HA H 1 3.920 0.008 . 1 . . . . 128 TYR HA . 7022 1 1136 . 1 1 128 128 TYR HB2 H 1 2.767 0.011 . 2 . . . . 128 TYR HB1 . 7022 1 1137 . 1 1 128 128 TYR HB3 H 1 2.296 0.025 . 2 . . . . 128 TYR HB2 . 7022 1 1138 . 1 1 128 128 TYR C C 13 176.338 0.000 . 1 . . . . 128 TYR C . 7022 1 1139 . 1 1 128 128 TYR CA C 13 62.691 0.134 . 1 . . . . 128 TYR CA . 7022 1 1140 . 1 1 128 128 TYR CB C 13 39.277 0.120 . 1 . . . . 128 TYR CB . 7022 1 1141 . 1 1 128 128 TYR N N 15 119.622 0.108 . 1 . . . . 128 TYR N . 7022 1 1142 . 1 1 129 129 HIS H H 1 8.599 0.007 . 1 . . . . 129 HIS HN . 7022 1 1143 . 1 1 129 129 HIS HA H 1 3.629 0.016 . 1 . . . . 129 HIS HA . 7022 1 1144 . 1 1 129 129 HIS HB2 H 1 2.528 0.027 . 2 . . . . 129 HIS HB2 . 7022 1 1145 . 1 1 129 129 HIS C C 13 175.958 0.000 . 1 . . . . 129 HIS C . 7022 1 1146 . 1 1 129 129 HIS CA C 13 60.450 0.096 . 1 . . . . 129 HIS CA . 7022 1 1147 . 1 1 129 129 HIS CB C 13 28.619 0.000 . 1 . . . . 129 HIS CB . 7022 1 1148 . 1 1 129 129 HIS N N 15 118.593 0.085 . 1 . . . . 129 HIS N . 7022 1 1149 . 1 1 130 130 GLN H H 1 8.117 0.010 . 1 . . . . 130 GLN HN . 7022 1 1150 . 1 1 130 130 GLN HA H 1 3.452 0.009 . 1 . . . . 130 GLN HA . 7022 1 1151 . 1 1 130 130 GLN HB2 H 1 2.029 0.020 . 2 . . . . 130 GLN HB1 . 7022 1 1152 . 1 1 130 130 GLN HB3 H 1 1.951 0.023 . 2 . . . . 130 GLN HB2 . 7022 1 1153 . 1 1 130 130 GLN HG2 H 1 2.448 0.017 . 2 . . . . 130 GLN HG1 . 7022 1 1154 . 1 1 130 130 GLN HG3 H 1 2.283 0.016 . 2 . . . . 130 GLN HG2 . 7022 1 1155 . 1 1 130 130 GLN C C 13 178.928 0.000 . 1 . . . . 130 GLN C . 7022 1 1156 . 1 1 130 130 GLN HE21 H 1 7.426 0.027 . 2 . . . . 130 GLN HE21 . 7022 1 1157 . 1 1 130 130 GLN HE22 H 1 6.946 0.002 . 2 . . . . 130 GLN HE22 . 7022 1 1158 . 1 1 130 130 GLN CA C 13 59.041 0.117 . 1 . . . . 130 GLN CA . 7022 1 1159 . 1 1 130 130 GLN CB C 13 28.305 0.066 . 1 . . . . 130 GLN CB . 7022 1 1160 . 1 1 130 130 GLN CG C 13 34.395 0.070 . 1 . . . . 130 GLN CG . 7022 1 1161 . 1 1 130 130 GLN CD C 13 179.876 0.012 . 1 . . . . 130 GLN CD . 7022 1 1162 . 1 1 130 130 GLN N N 15 114.765 0.060 . 1 . . . . 130 GLN N . 7022 1 1163 . 1 1 130 130 GLN NE2 N 15 111.071 0.137 . 1 . . . . 130 GLN NE2 . 7022 1 1164 . 1 1 131 131 ALA H H 1 7.444 0.006 . 1 . . . . 131 ALA HN . 7022 1 1165 . 1 1 131 131 ALA HA H 1 4.151 0.011 . 1 . . . . 131 ALA HA . 7022 1 1166 . 1 1 131 131 ALA HB1 H 1 1.462 0.010 . 1 . . . . 131 ALA HB# . 7022 1 1167 . 1 1 131 131 ALA HB2 H 1 1.462 0.010 . 1 . . . . 131 ALA HB# . 7022 1 1168 . 1 1 131 131 ALA HB3 H 1 1.462 0.010 . 1 . . . . 131 ALA HB# . 7022 1 1169 . 1 1 131 131 ALA C C 13 180.343 0.000 . 1 . . . . 131 ALA C . 7022 1 1170 . 1 1 131 131 ALA CA C 13 54.941 0.093 . 1 . . . . 131 ALA CA . 7022 1 1171 . 1 1 131 131 ALA CB C 13 17.954 0.083 . 1 . . . . 131 ALA CB . 7022 1 1172 . 1 1 131 131 ALA N N 15 122.256 0.039 . 1 . . . . 131 ALA N . 7022 1 1173 . 1 1 132 132 HIS H H 1 8.948 0.006 . 1 . . . . 132 HIS HN . 7022 1 1174 . 1 1 132 132 HIS HA H 1 4.542 0.009 . 1 . . . . 132 HIS HA . 7022 1 1175 . 1 1 132 132 HIS C C 13 178.945 0.000 . 1 . . . . 132 HIS C . 7022 1 1176 . 1 1 132 132 HIS CA C 13 55.897 0.127 . 1 . . . . 132 HIS CA . 7022 1 1177 . 1 1 132 132 HIS CB C 13 31.370 0.000 . 1 . . . . 132 HIS CB . 7022 1 1178 . 1 1 132 132 HIS N N 15 117.444 0.059 . 1 . . . . 132 HIS N . 7022 1 1179 . 1 1 133 133 LYS H H 1 8.230 0.007 . 1 . . . . 133 LYS HN . 7022 1 1180 . 1 1 133 133 LYS HA H 1 3.852 0.012 . 1 . . . . 133 LYS HA . 7022 1 1181 . 1 1 133 133 LYS HB2 H 1 1.644 0.018 . 1 . . . . 133 LYS HB# . 7022 1 1182 . 1 1 133 133 LYS HB3 H 1 1.644 0.018 . 1 . . . . 133 LYS HB# . 7022 1 1183 . 1 1 133 133 LYS HG2 H 1 1.309 0.017 . 1 . . . . 133 LYS HG# . 7022 1 1184 . 1 1 133 133 LYS HG3 H 1 1.309 0.017 . 1 . . . . 133 LYS HG# . 7022 1 1185 . 1 1 133 133 LYS HD2 H 1 1.540 0.011 . 1 . . . . 133 LYS HD# . 7022 1 1186 . 1 1 133 133 LYS HD3 H 1 1.540 0.011 . 1 . . . . 133 LYS HD# . 7022 1 1187 . 1 1 133 133 LYS HE2 H 1 2.845 0.015 . 2 . . . . 133 LYS HE1 . 7022 1 1188 . 1 1 133 133 LYS HE3 H 1 2.760 0.014 . 2 . . . . 133 LYS HE2 . 7022 1 1189 . 1 1 133 133 LYS C C 13 177.764 0.000 . 1 . . . . 133 LYS C . 7022 1 1190 . 1 1 133 133 LYS CA C 13 59.928 0.102 . 1 . . . . 133 LYS CA . 7022 1 1191 . 1 1 133 133 LYS CB C 13 32.054 0.069 . 1 . . . . 133 LYS CB . 7022 1 1192 . 1 1 133 133 LYS CG C 13 25.017 0.008 . 1 . . . . 133 LYS CG . 7022 1 1193 . 1 1 133 133 LYS CD C 13 29.514 0.095 . 1 . . . . 133 LYS CD . 7022 1 1194 . 1 1 133 133 LYS CE C 13 41.627 0.119 . 1 . . . . 133 LYS CE . 7022 1 1195 . 1 1 133 133 LYS N N 15 120.178 0.079 . 1 . . . . 133 LYS N . 7022 1 1196 . 1 1 134 134 ALA H H 1 7.273 0.006 . 1 . . . . 134 ALA HN . 7022 1 1197 . 1 1 134 134 ALA HA H 1 4.388 0.013 . 1 . . . . 134 ALA HA . 7022 1 1198 . 1 1 134 134 ALA HB1 H 1 1.563 0.011 . 1 . . . . 134 ALA HB# . 7022 1 1199 . 1 1 134 134 ALA HB2 H 1 1.563 0.011 . 1 . . . . 134 ALA HB# . 7022 1 1200 . 1 1 134 134 ALA HB3 H 1 1.563 0.011 . 1 . . . . 134 ALA HB# . 7022 1 1201 . 1 1 134 134 ALA C C 13 179.629 0.000 . 1 . . . . 134 ALA C . 7022 1 1202 . 1 1 134 134 ALA CA C 13 54.041 0.106 . 1 . . . . 134 ALA CA . 7022 1 1203 . 1 1 134 134 ALA CB C 13 19.450 0.076 . 1 . . . . 134 ALA CB . 7022 1 1204 . 1 1 134 134 ALA N N 15 118.798 0.042 . 1 . . . . 134 ALA N . 7022 1 1205 . 1 1 135 135 THR H H 1 7.770 0.004 . 1 . . . . 135 THR HN . 7022 1 1206 . 1 1 135 135 THR HA H 1 4.498 0.013 . 1 . . . . 135 THR HA . 7022 1 1207 . 1 1 135 135 THR HB H 1 4.491 0.011 . 1 . . . . 135 THR HB . 7022 1 1208 . 1 1 135 135 THR HG21 H 1 1.210 0.010 . 1 . . . . 135 THR HG# . 7022 1 1209 . 1 1 135 135 THR HG22 H 1 1.210 0.010 . 1 . . . . 135 THR HG# . 7022 1 1210 . 1 1 135 135 THR HG23 H 1 1.210 0.010 . 1 . . . . 135 THR HG# . 7022 1 1211 . 1 1 135 135 THR C C 13 175.726 0.000 . 1 . . . . 135 THR C . 7022 1 1212 . 1 1 135 135 THR CA C 13 61.487 0.142 . 1 . . . . 135 THR CA . 7022 1 1213 . 1 1 135 135 THR CB C 13 70.844 0.147 . 1 . . . . 135 THR CB . 7022 1 1214 . 1 1 135 135 THR CG2 C 13 21.712 0.084 . 1 . . . . 135 THR CG2 . 7022 1 1215 . 1 1 135 135 THR N N 15 104.787 0.038 . 1 . . . . 135 THR N . 7022 1 1216 . 1 1 136 136 GLY H H 1 8.078 0.005 . 1 . . . . 136 GLY HN . 7022 1 1217 . 1 1 136 136 GLY HA2 H 1 4.203 0.010 . 2 . . . . 136 GLY HA1 . 7022 1 1218 . 1 1 136 136 GLY HA3 H 1 3.699 0.016 . 2 . . . . 136 GLY HA2 . 7022 1 1219 . 1 1 136 136 GLY C C 13 174.776 0.000 . 1 . . . . 136 GLY C . 7022 1 1220 . 1 1 136 136 GLY CA C 13 46.281 0.050 . 1 . . . . 136 GLY CA . 7022 1 1221 . 1 1 136 136 GLY N N 15 112.886 0.087 . 1 . . . . 136 GLY N . 7022 1 1222 . 1 1 137 137 GLY H H 1 8.025 0.003 . 1 . . . . 137 GLY HN . 7022 1 1223 . 1 1 137 137 GLY HA2 H 1 3.793 0.026 . 2 . . . . 137 GLY HA1 . 7022 1 1224 . 1 1 137 137 GLY HA3 H 1 3.010 0.014 . 2 . . . . 137 GLY HA2 . 7022 1 1225 . 1 1 137 137 GLY C C 13 172.697 0.000 . 1 . . . . 137 GLY C . 7022 1 1226 . 1 1 137 137 GLY CA C 13 44.966 0.024 . 1 . . . . 137 GLY CA . 7022 1 1227 . 1 1 137 137 GLY N N 15 107.528 0.049 . 1 . . . . 137 GLY N . 7022 1 1228 . 1 1 138 138 PRO HA H 1 4.035 0.008 . 1 . . . . 138 PRO HA . 7022 1 1229 . 1 1 138 138 PRO HB2 H 1 2.107 0.020 . 2 . . . . 138 PRO HB1 . 7022 1 1230 . 1 1 138 138 PRO HB3 H 1 1.239 0.025 . 2 . . . . 138 PRO HB2 . 7022 1 1231 . 1 1 138 138 PRO HG2 H 1 1.860 0.007 . 2 . . . . 138 PRO HG1 . 7022 1 1232 . 1 1 138 138 PRO HG3 H 1 1.482 0.008 . 2 . . . . 138 PRO HG2 . 7022 1 1233 . 1 1 138 138 PRO HD2 H 1 3.126 0.017 . 2 . . . . 138 PRO HD1 . 7022 1 1234 . 1 1 138 138 PRO C C 13 177.823 0.000 . 1 . . . . 138 PRO C . 7022 1 1235 . 1 1 138 138 PRO CA C 13 65.828 0.118 . 1 . . . . 138 PRO CA . 7022 1 1236 . 1 1 138 138 PRO CB C 13 33.343 0.079 . 1 . . . . 138 PRO CB . 7022 1 1237 . 1 1 138 138 PRO CG C 13 27.395 0.087 . 1 . . . . 138 PRO CG . 7022 1 1238 . 1 1 138 138 PRO CD C 13 48.935 0.040 . 1 . . . . 138 PRO CD . 7022 1 1239 . 1 1 139 139 LEU H H 1 11.118 0.008 . 1 . . . . 139 LEU HN . 7022 1 1240 . 1 1 139 139 LEU HA H 1 4.683 0.013 . 1 . . . . 139 LEU HA . 7022 1 1241 . 1 1 139 139 LEU HB2 H 1 1.987 0.000 . 2 . . . . 139 LEU HB1 . 7022 1 1242 . 1 1 139 139 LEU HB3 H 1 1.854 0.019 . 2 . . . . 139 LEU HB2 . 7022 1 1243 . 1 1 139 139 LEU HD11 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1244 . 1 1 139 139 LEU HD12 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1245 . 1 1 139 139 LEU HD13 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1246 . 1 1 139 139 LEU HD21 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1247 . 1 1 139 139 LEU HD22 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1248 . 1 1 139 139 LEU HD23 H 1 1.086 0.011 . 2 . . . . 139 LEU HD# . 7022 1 1249 . 1 1 139 139 LEU C C 13 179.426 0.000 . 1 . . . . 139 LEU C . 7022 1 1250 . 1 1 139 139 LEU CA C 13 54.405 0.092 . 1 . . . . 139 LEU CA . 7022 1 1251 . 1 1 139 139 LEU CB C 13 39.512 0.019 . 1 . . . . 139 LEU CB . 7022 1 1252 . 1 1 139 139 LEU CD1 C 13 25.640 0.000 . 1 . . . . 139 LEU CD# . 7022 1 1253 . 1 1 139 139 LEU CD2 C 13 25.640 0.000 . 1 . . . . 139 LEU CD# . 7022 1 1254 . 1 1 139 139 LEU N N 15 115.838 0.074 . 1 . . . . 139 LEU N . 7022 1 1255 . 1 1 140 140 LYS H H 1 7.700 0.005 . 1 . . . . 140 LYS HN . 7022 1 1256 . 1 1 140 140 LYS HA H 1 3.678 0.016 . 1 . . . . 140 LYS HA . 7022 1 1257 . 1 1 140 140 LYS HB2 H 1 1.856 0.016 . 2 . . . . 140 LYS HB1 . 7022 1 1258 . 1 1 140 140 LYS HB3 H 1 1.664 0.014 . 2 . . . . 140 LYS HB2 . 7022 1 1259 . 1 1 140 140 LYS HG2 H 1 1.208 0.017 . 1 . . . . 140 LYS HG# . 7022 1 1260 . 1 1 140 140 LYS HG3 H 1 1.208 0.017 . 1 . . . . 140 LYS HG# . 7022 1 1261 . 1 1 140 140 LYS HD2 H 1 1.378 0.020 . 1 . . . . 140 LYS HD# . 7022 1 1262 . 1 1 140 140 LYS HD3 H 1 1.378 0.020 . 1 . . . . 140 LYS HD# . 7022 1 1263 . 1 1 140 140 LYS HE2 H 1 2.973 0.019 . 1 . . . . 140 LYS HE# . 7022 1 1264 . 1 1 140 140 LYS HE3 H 1 2.973 0.019 . 1 . . . . 140 LYS HE# . 7022 1 1265 . 1 1 140 140 LYS C C 13 173.870 0.000 . 1 . . . . 140 LYS C . 7022 1 1266 . 1 1 140 140 LYS CA C 13 60.644 0.079 . 1 . . . . 140 LYS CA . 7022 1 1267 . 1 1 140 140 LYS CB C 13 32.828 0.074 . 1 . . . . 140 LYS CB . 7022 1 1268 . 1 1 140 140 LYS CG C 13 23.897 0.127 . 1 . . . . 140 LYS CG . 7022 1 1269 . 1 1 140 140 LYS CD C 13 23.889 0.129 . 1 . . . . 140 LYS CD . 7022 1 1270 . 1 1 140 140 LYS CE C 13 42.101 0.007 . 1 . . . . 140 LYS CE . 7022 1 1271 . 1 1 140 140 LYS N N 15 121.603 0.114 . 1 . . . . 140 LYS N . 7022 1 1272 . 1 1 141 141 ASN H H 1 9.239 0.006 . 1 . . . . 141 ASN HN . 7022 1 1273 . 1 1 141 141 ASN HA H 1 5.260 0.014 . 1 . . . . 141 ASN HA . 7022 1 1274 . 1 1 141 141 ASN HB2 H 1 3.066 0.018 . 2 . . . . 141 ASN HB1 . 7022 1 1275 . 1 1 141 141 ASN HB3 H 1 2.509 0.020 . 2 . . . . 141 ASN HB2 . 7022 1 1276 . 1 1 141 141 ASN HD21 H 1 7.709 0.001 . 2 . . . . 141 ASN HD21 . 7022 1 1277 . 1 1 141 141 ASN HD22 H 1 6.971 0.005 . 2 . . . . 141 ASN HD22 . 7022 1 1278 . 1 1 141 141 ASN C C 13 175.596 0.000 . 1 . . . . 141 ASN C . 7022 1 1279 . 1 1 141 141 ASN CA C 13 51.793 0.073 . 1 . . . . 141 ASN CA . 7022 1 1280 . 1 1 141 141 ASN CB C 13 40.176 0.069 . 1 . . . . 141 ASN CB . 7022 1 1281 . 1 1 141 141 ASN CG C 13 177.536 0.014 . 1 . . . . 141 ASN CG . 7022 1 1282 . 1 1 141 141 ASN N N 15 116.300 0.055 . 1 . . . . 141 ASN N . 7022 1 1283 . 1 1 141 141 ASN ND2 N 15 113.099 0.160 . 1 . . . . 141 ASN ND2 . 7022 1 1284 . 1 1 142 142 MET H H 1 7.103 0.017 . 1 . . . . 142 MET HN . 7022 1 1285 . 1 1 142 142 MET HA H 1 4.341 0.010 . 1 . . . . 142 MET HA . 7022 1 1286 . 1 1 142 142 MET HB2 H 1 2.771 0.008 . 2 . . . . 142 MET HB1 . 7022 1 1287 . 1 1 142 142 MET HB3 H 1 2.496 0.010 . 2 . . . . 142 MET HB2 . 7022 1 1288 . 1 1 142 142 MET C C 13 177.067 0.000 . 1 . . . . 142 MET C . 7022 1 1289 . 1 1 142 142 MET CA C 13 58.498 0.128 . 1 . . . . 142 MET CA . 7022 1 1290 . 1 1 142 142 MET CB C 13 33.467 0.252 . 1 . . . . 142 MET CB . 7022 1 1291 . 1 1 142 142 MET N N 15 122.799 0.072 . 1 . . . . 142 MET N . 7022 1 1292 . 1 1 143 143 VAL H H 1 9.244 0.011 . 1 . . . . 143 VAL HN . 7022 1 1293 . 1 1 143 143 VAL HA H 1 3.833 0.007 . 1 . . . . 143 VAL HA . 7022 1 1294 . 1 1 143 143 VAL HB H 1 1.824 0.016 . 1 . . . . 143 VAL HB . 7022 1 1295 . 1 1 143 143 VAL HG11 H 1 1.152 0.018 . 2 . . . . 143 VAL HG1# . 7022 1 1296 . 1 1 143 143 VAL HG12 H 1 1.152 0.018 . 2 . . . . 143 VAL HG1# . 7022 1 1297 . 1 1 143 143 VAL HG13 H 1 1.152 0.018 . 2 . . . . 143 VAL HG1# . 7022 1 1298 . 1 1 143 143 VAL HG21 H 1 0.886 0.012 . 2 . . . . 143 VAL HG2# . 7022 1 1299 . 1 1 143 143 VAL HG22 H 1 0.886 0.012 . 2 . . . . 143 VAL HG2# . 7022 1 1300 . 1 1 143 143 VAL HG23 H 1 0.886 0.012 . 2 . . . . 143 VAL HG2# . 7022 1 1301 . 1 1 143 143 VAL C C 13 176.964 0.000 . 1 . . . . 143 VAL C . 7022 1 1302 . 1 1 143 143 VAL CA C 13 65.576 0.114 . 1 . . . . 143 VAL CA . 7022 1 1303 . 1 1 143 143 VAL CB C 13 31.535 0.104 . 1 . . . . 143 VAL CB . 7022 1 1304 . 1 1 143 143 VAL CG1 C 13 23.701 0.051 . 2 . . . . 143 VAL CG1 . 7022 1 1305 . 1 1 143 143 VAL CG2 C 13 22.668 0.047 . 2 . . . . 143 VAL CG2 . 7022 1 1306 . 1 1 143 143 VAL N N 15 131.414 0.065 . 1 . . . . 143 VAL N . 7022 1 1307 . 1 1 144 144 LEU H H 1 8.034 0.009 . 1 . . . . 144 LEU HN . 7022 1 1308 . 1 1 144 144 LEU HA H 1 3.782 0.017 . 1 . . . . 144 LEU HA . 7022 1 1309 . 1 1 144 144 LEU HB2 H 1 1.207 0.015 . 2 . . . . 144 LEU HB1 . 7022 1 1310 . 1 1 144 144 LEU HB3 H 1 0.662 0.013 . 2 . . . . 144 LEU HB2 . 7022 1 1311 . 1 1 144 144 LEU HG H 1 0.586 0.027 . 1 . . . . 144 LEU HG . 7022 1 1312 . 1 1 144 144 LEU HD11 H 1 0.217 0.011 . 2 . . . . 144 LEU HD1# . 7022 1 1313 . 1 1 144 144 LEU HD12 H 1 0.217 0.011 . 2 . . . . 144 LEU HD1# . 7022 1 1314 . 1 1 144 144 LEU HD13 H 1 0.217 0.011 . 2 . . . . 144 LEU HD1# . 7022 1 1315 . 1 1 144 144 LEU HD21 H 1 0.337 0.016 . 2 . . . . 144 LEU HD2# . 7022 1 1316 . 1 1 144 144 LEU HD22 H 1 0.337 0.016 . 2 . . . . 144 LEU HD2# . 7022 1 1317 . 1 1 144 144 LEU HD23 H 1 0.337 0.016 . 2 . . . . 144 LEU HD2# . 7022 1 1318 . 1 1 144 144 LEU C C 13 176.903 0.000 . 1 . . . . 144 LEU C . 7022 1 1319 . 1 1 144 144 LEU CA C 13 56.546 0.055 . 1 . . . . 144 LEU CA . 7022 1 1320 . 1 1 144 144 LEU CB C 13 42.735 0.081 . 1 . . . . 144 LEU CB . 7022 1 1321 . 1 1 144 144 LEU CG C 13 26.137 0.040 . 1 . . . . 144 LEU CG . 7022 1 1322 . 1 1 144 144 LEU CD1 C 13 21.954 0.112 . 2 . . . . 144 LEU CD1 . 7022 1 1323 . 1 1 144 144 LEU CD2 C 13 25.847 0.096 . 2 . . . . 144 LEU CD2 . 7022 1 1324 . 1 1 144 144 LEU N N 15 122.243 0.126 . 1 . . . . 144 LEU N . 7022 1 1325 . 1 1 145 145 PHE H H 1 6.847 0.013 . 1 . . . . 145 PHE HN . 7022 1 1326 . 1 1 145 145 PHE HA H 1 4.390 0.025 . 1 . . . . 145 PHE HA . 7022 1 1327 . 1 1 145 145 PHE HB2 H 1 3.041 0.008 . 2 . . . . 145 PHE HB1 . 7022 1 1328 . 1 1 145 145 PHE C C 13 175.989 0.000 . 1 . . . . 145 PHE C . 7022 1 1329 . 1 1 145 145 PHE CA C 13 58.130 0.158 . 1 . . . . 145 PHE CA . 7022 1 1330 . 1 1 145 145 PHE CB C 13 40.141 0.094 . 1 . . . . 145 PHE CB . 7022 1 1331 . 1 1 145 145 PHE N N 15 111.525 0.068 . 1 . . . . 145 PHE N . 7022 1 1332 . 1 1 146 146 THR H H 1 7.792 0.004 . 1 . . . . 146 THR HN . 7022 1 1333 . 1 1 146 146 THR HA H 1 4.538 0.022 . 1 . . . . 146 THR HA . 7022 1 1334 . 1 1 146 146 THR HB H 1 4.350 0.036 . 1 . . . . 146 THR HB . 7022 1 1335 . 1 1 146 146 THR HG21 H 1 1.249 0.008 . 1 . . . . 146 THR HG# . 7022 1 1336 . 1 1 146 146 THR HG22 H 1 1.249 0.008 . 1 . . . . 146 THR HG# . 7022 1 1337 . 1 1 146 146 THR HG23 H 1 1.249 0.008 . 1 . . . . 146 THR HG# . 7022 1 1338 . 1 1 146 146 THR C C 13 175.318 0.000 . 1 . . . . 146 THR C . 7022 1 1339 . 1 1 146 146 THR CA C 13 62.528 0.166 . 1 . . . . 146 THR CA . 7022 1 1340 . 1 1 146 146 THR CB C 13 70.444 0.102 . 1 . . . . 146 THR CB . 7022 1 1341 . 1 1 146 146 THR CG2 C 13 21.884 0.074 . 1 . . . . 146 THR CG2 . 7022 1 1342 . 1 1 146 146 THR N N 15 111.077 0.049 . 1 . . . . 146 THR N . 7022 1 1343 . 1 1 147 147 ARG H H 1 8.387 0.006 . 1 . . . . 147 ARG HN . 7022 1 1344 . 1 1 147 147 ARG HA H 1 4.692 0.011 . 1 . . . . 147 ARG HA . 7022 1 1345 . 1 1 147 147 ARG HB2 H 1 1.842 0.012 . 1 . . . . 147 ARG HB# . 7022 1 1346 . 1 1 147 147 ARG HB3 H 1 1.842 0.012 . 1 . . . . 147 ARG HB# . 7022 1 1347 . 1 1 147 147 ARG HG2 H 1 1.717 0.012 . 1 . . . . 147 ARG HG# . 7022 1 1348 . 1 1 147 147 ARG HG3 H 1 1.717 0.012 . 1 . . . . 147 ARG HG# . 7022 1 1349 . 1 1 147 147 ARG HD2 H 1 3.279 0.008 . 1 . . . . 147 ARG HD# . 7022 1 1350 . 1 1 147 147 ARG HD3 H 1 3.279 0.008 . 1 . . . . 147 ARG HD# . 7022 1 1351 . 1 1 147 147 ARG C C 13 174.696 0.000 . 1 . . . . 147 ARG C . 7022 1 1352 . 1 1 147 147 ARG CA C 13 54.698 0.068 . 1 . . . . 147 ARG CA . 7022 1 1353 . 1 1 147 147 ARG CB C 13 30.111 0.089 . 1 . . . . 147 ARG CB . 7022 1 1354 . 1 1 147 147 ARG CG C 13 26.634 0.076 . 1 . . . . 147 ARG CG . 7022 1 1355 . 1 1 147 147 ARG CD C 13 43.323 0.023 . 1 . . . . 147 ARG CD . 7022 1 1356 . 1 1 147 147 ARG N N 15 122.995 0.096 . 1 . . . . 147 ARG N . 7022 1 1357 . 1 1 148 148 GLN H H 1 8.344 0.007 . 1 . . . . 148 GLN HN . 7022 1 1358 . 1 1 148 148 GLN HA H 1 4.009 0.023 . 1 . . . . 148 GLN HA . 7022 1 1359 . 1 1 148 148 GLN HB2 H 1 2.063 0.019 . 2 . . . . 148 GLN HB1 . 7022 1 1360 . 1 1 148 148 GLN HB3 H 1 1.989 0.022 . 2 . . . . 148 GLN HB2 . 7022 1 1361 . 1 1 148 148 GLN HG2 H 1 2.369 0.018 . 1 . . . . 148 GLN HG# . 7022 1 1362 . 1 1 148 148 GLN HG3 H 1 2.369 0.018 . 1 . . . . 148 GLN HG# . 7022 1 1363 . 1 1 148 148 GLN HE21 H 1 7.534 0.008 . 2 . . . . 148 GLN HE21 . 7022 1 1364 . 1 1 148 148 GLN HE22 H 1 6.907 0.052 . 2 . . . . 148 GLN HE22 . 7022 1 1365 . 1 1 148 148 GLN CA C 13 58.093 0.143 . 1 . . . . 148 GLN CA . 7022 1 1366 . 1 1 148 148 GLN CB C 13 29.635 0.091 . 1 . . . . 148 GLN CB . 7022 1 1367 . 1 1 148 148 GLN CG C 13 34.143 0.064 . 1 . . . . 148 GLN CG . 7022 1 1368 . 1 1 148 148 GLN CD C 13 180.249 0.025 . 1 . . . . 148 GLN CD . 7022 1 1369 . 1 1 148 148 GLN N N 15 120.482 0.066 . 1 . . . . 148 GLN N . 7022 1 1370 . 1 1 148 148 GLN NE2 N 15 111.700 0.159 . 1 . . . . 148 GLN NE2 . 7022 1 1371 . 1 1 149 149 ARG HA H 1 4.251 0.017 . 1 . . . . 149 ARG HA . 7022 1 1372 . 1 1 149 149 ARG HB2 H 1 1.975 0.022 . 2 . . . . 149 ARG HB1 . 7022 1 1373 . 1 1 149 149 ARG HB3 H 1 1.802 0.023 . 2 . . . . 149 ARG HB2 . 7022 1 1374 . 1 1 149 149 ARG HG2 H 1 1.605 0.010 . 1 . . . . 149 ARG HG# . 7022 1 1375 . 1 1 149 149 ARG HG3 H 1 1.605 0.010 . 1 . . . . 149 ARG HG# . 7022 1 1376 . 1 1 149 149 ARG HD2 H 1 3.206 0.019 . 1 . . . . 149 ARG HD# . 7022 1 1377 . 1 1 149 149 ARG HD3 H 1 3.206 0.019 . 1 . . . . 149 ARG HD# . 7022 1 1378 . 1 1 149 149 ARG C C 13 176.038 0.000 . 1 . . . . 149 ARG C . 7022 1 1379 . 1 1 149 149 ARG CA C 13 56.021 0.068 . 1 . . . . 149 ARG CA . 7022 1 1380 . 1 1 149 149 ARG CB C 13 29.540 0.074 . 1 . . . . 149 ARG CB . 7022 1 1381 . 1 1 149 149 ARG CG C 13 27.594 0.061 . 1 . . . . 149 ARG CG . 7022 1 1382 . 1 1 149 149 ARG CD C 13 43.295 0.046 . 1 . . . . 149 ARG CD . 7022 1 1383 . 1 1 150 150 LEU H H 1 7.217 0.005 . 1 . . . . 150 LEU HN . 7022 1 1384 . 1 1 150 150 LEU HA H 1 4.499 0.017 . 1 . . . . 150 LEU HA . 7022 1 1385 . 1 1 150 150 LEU HB2 H 1 1.740 0.024 . 2 . . . . 150 LEU HB1 . 7022 1 1386 . 1 1 150 150 LEU HB3 H 1 1.593 0.015 . 2 . . . . 150 LEU HB2 . 7022 1 1387 . 1 1 150 150 LEU HG H 1 1.653 0.016 . 1 . . . . 150 LEU HG . 7022 1 1388 . 1 1 150 150 LEU HD11 H 1 1.176 0.013 . 2 . . . . 150 LEU HD1# . 7022 1 1389 . 1 1 150 150 LEU HD12 H 1 1.176 0.013 . 2 . . . . 150 LEU HD1# . 7022 1 1390 . 1 1 150 150 LEU HD13 H 1 1.176 0.013 . 2 . . . . 150 LEU HD1# . 7022 1 1391 . 1 1 150 150 LEU HD21 H 1 1.114 0.015 . 2 . . . . 150 LEU HD2# . 7022 1 1392 . 1 1 150 150 LEU HD22 H 1 1.114 0.015 . 2 . . . . 150 LEU HD2# . 7022 1 1393 . 1 1 150 150 LEU HD23 H 1 1.114 0.015 . 2 . . . . 150 LEU HD2# . 7022 1 1394 . 1 1 150 150 LEU C C 13 177.496 0.000 . 1 . . . . 150 LEU C . 7022 1 1395 . 1 1 150 150 LEU CA C 13 54.621 0.077 . 1 . . . . 150 LEU CA . 7022 1 1396 . 1 1 150 150 LEU CB C 13 43.907 0.032 . 1 . . . . 150 LEU CB . 7022 1 1397 . 1 1 150 150 LEU CG C 13 27.539 0.088 . 1 . . . . 150 LEU CG . 7022 1 1398 . 1 1 150 150 LEU CD1 C 13 24.180 0.044 . 2 . . . . 150 LEU CD1 . 7022 1 1399 . 1 1 150 150 LEU CD2 C 13 25.468 0.071 . 2 . . . . 150 LEU CD2 . 7022 1 1400 . 1 1 150 150 LEU N N 15 121.965 0.105 . 1 . . . . 150 LEU N . 7022 1 1401 . 1 1 151 151 SER HA H 1 4.199 0.018 . 1 . . . . 151 SER HA . 7022 1 1402 . 1 1 151 151 SER HB2 H 1 4.009 0.013 . 1 . . . . 151 SER HB# . 7022 1 1403 . 1 1 151 151 SER HB3 H 1 4.009 0.013 . 1 . . . . 151 SER HB# . 7022 1 1404 . 1 1 151 151 SER CA C 13 59.880 0.126 . 1 . . . . 151 SER CA . 7022 1 1405 . 1 1 151 151 SER CB C 13 63.953 0.033 . 1 . . . . 151 SER CB . 7022 1 1406 . 1 1 152 152 ILE H H 1 6.819 0.009 . 1 . . . . 152 ILE HN . 7022 1 1407 . 1 1 152 152 ILE HA H 1 4.739 0.035 . 1 . . . . 152 ILE HA . 7022 1 1408 . 1 1 152 152 ILE HB H 1 2.111 0.011 . 1 . . . . 152 ILE HB . 7022 1 1409 . 1 1 152 152 ILE HG12 H 1 1.487 0.016 . 2 . . . . 152 ILE HG11 . 7022 1 1410 . 1 1 152 152 ILE HG13 H 1 1.593 0.013 . 2 . . . . 152 ILE HG12 . 7022 1 1411 . 1 1 152 152 ILE HG21 H 1 0.719 0.010 . 1 . . . . 152 ILE HG2 . 7022 1 1412 . 1 1 152 152 ILE HG22 H 1 0.719 0.010 . 1 . . . . 152 ILE HG2 . 7022 1 1413 . 1 1 152 152 ILE HG23 H 1 0.719 0.010 . 1 . . . . 152 ILE HG2 . 7022 1 1414 . 1 1 152 152 ILE HD11 H 1 0.817 0.031 . 1 . . . . 152 ILE HD1 . 7022 1 1415 . 1 1 152 152 ILE HD12 H 1 0.817 0.031 . 1 . . . . 152 ILE HD1 . 7022 1 1416 . 1 1 152 152 ILE HD13 H 1 0.817 0.031 . 1 . . . . 152 ILE HD1 . 7022 1 1417 . 1 1 152 152 ILE C C 13 174.190 0.000 . 1 . . . . 152 ILE C . 7022 1 1418 . 1 1 152 152 ILE CA C 13 59.158 0.112 . 1 . . . . 152 ILE CA . 7022 1 1419 . 1 1 152 152 ILE CB C 13 39.127 0.033 . 1 . . . . 152 ILE CB . 7022 1 1420 . 1 1 152 152 ILE CG2 C 13 18.477 0.066 . 1 . . . . 152 ILE CG2 . 7022 1 1421 . 1 1 152 152 ILE CD1 C 13 12.908 0.059 . 1 . . . . 152 ILE CD1 . 7022 1 1422 . 1 1 152 152 ILE N N 15 121.317 0.044 . 1 . . . . 152 ILE N . 7022 1 1423 . 1 1 153 153 GLN H H 1 8.924 0.010 . 1 . . . . 153 GLN HN . 7022 1 1424 . 1 1 153 153 GLN HA H 1 4.934 0.004 . 1 . . . . 153 GLN HA . 7022 1 1425 . 1 1 153 153 GLN C C 13 173.081 0.000 . 1 . . . . 153 GLN C . 7022 1 1426 . 1 1 153 153 GLN CA C 13 51.139 0.134 . 1 . . . . 153 GLN CA . 7022 1 1427 . 1 1 153 153 GLN CB C 13 30.828 0.000 . 1 . . . . 153 GLN CB . 7022 1 1428 . 1 1 153 153 GLN N N 15 118.888 0.081 . 1 . . . . 153 GLN N . 7022 1 1429 . 1 1 154 154 PRO HA H 1 4.377 0.007 . 1 . . . . 154 PRO HA . 7022 1 1430 . 1 1 154 154 PRO C C 13 176.574 0.000 . 1 . . . . 154 PRO C . 7022 1 1431 . 1 1 154 154 PRO CA C 13 61.926 0.183 . 1 . . . . 154 PRO CA . 7022 1 1432 . 1 1 154 154 PRO CB C 13 31.739 0.004 . 1 . . . . 154 PRO CB . 7022 1 1433 . 1 1 155 155 LEU H H 1 7.776 0.008 . 1 . . . . 155 LEU HN . 7022 1 1434 . 1 1 155 155 LEU HA H 1 4.913 0.010 . 1 . . . . 155 LEU HA . 7022 1 1435 . 1 1 155 155 LEU HB2 H 1 1.848 0.027 . 2 . . . . 155 LEU HB1 . 7022 1 1436 . 1 1 155 155 LEU HB3 H 1 1.054 0.031 . 2 . . . . 155 LEU HB2 . 7022 1 1437 . 1 1 155 155 LEU HG H 1 1.808 0.010 . 1 . . . . 155 LEU HG . 7022 1 1438 . 1 1 155 155 LEU HD11 H 1 1.039 0.011 . 2 . . . . 155 LEU HD1# . 7022 1 1439 . 1 1 155 155 LEU HD12 H 1 1.039 0.011 . 2 . . . . 155 LEU HD1# . 7022 1 1440 . 1 1 155 155 LEU HD13 H 1 1.039 0.011 . 2 . . . . 155 LEU HD1# . 7022 1 1441 . 1 1 155 155 LEU HD21 H 1 0.973 0.020 . 2 . . . . 155 LEU HD2# . 7022 1 1442 . 1 1 155 155 LEU HD22 H 1 0.973 0.020 . 2 . . . . 155 LEU HD2# . 7022 1 1443 . 1 1 155 155 LEU HD23 H 1 0.973 0.020 . 2 . . . . 155 LEU HD2# . 7022 1 1444 . 1 1 155 155 LEU C C 13 177.512 0.000 . 1 . . . . 155 LEU C . 7022 1 1445 . 1 1 155 155 LEU CA C 13 53.614 0.096 . 1 . . . . 155 LEU CA . 7022 1 1446 . 1 1 155 155 LEU CB C 13 46.148 0.046 . 1 . . . . 155 LEU CB . 7022 1 1447 . 1 1 155 155 LEU CG C 13 28.821 0.023 . 1 . . . . 155 LEU CG . 7022 1 1448 . 1 1 155 155 LEU CD1 C 13 26.638 0.066 . 2 . . . . 155 LEU CD1 . 7022 1 1449 . 1 1 155 155 LEU CD2 C 13 27.965 0.064 . 2 . . . . 155 LEU CD2 . 7022 1 1450 . 1 1 155 155 LEU N N 15 123.043 0.041 . 1 . . . . 155 LEU N . 7022 1 1451 . 1 1 156 156 THR H H 1 8.838 0.008 . 1 . . . . 156 THR HN . 7022 1 1452 . 1 1 156 156 THR HA H 1 4.363 0.007 . 1 . . . . 156 THR HA . 7022 1 1453 . 1 1 156 156 THR HB H 1 4.682 0.008 . 1 . . . . 156 THR HB . 7022 1 1454 . 1 1 156 156 THR HG21 H 1 1.239 0.015 . 1 . . . . 156 THR HG# . 7022 1 1455 . 1 1 156 156 THR HG22 H 1 1.239 0.015 . 1 . . . . 156 THR HG# . 7022 1 1456 . 1 1 156 156 THR HG23 H 1 1.239 0.015 . 1 . . . . 156 THR HG# . 7022 1 1457 . 1 1 156 156 THR C C 13 175.018 0.000 . 1 . . . . 156 THR C . 7022 1 1458 . 1 1 156 156 THR CA C 13 60.457 0.092 . 1 . . . . 156 THR CA . 7022 1 1459 . 1 1 156 156 THR CB C 13 70.591 0.019 . 1 . . . . 156 THR CB . 7022 1 1460 . 1 1 156 156 THR CG2 C 13 22.008 0.097 . 1 . . . . 156 THR CG2 . 7022 1 1461 . 1 1 156 156 THR N N 15 113.972 0.059 . 1 . . . . 156 THR N . 7022 1 1462 . 1 1 157 157 GLN H H 1 8.973 0.007 . 1 . . . . 157 GLN HN . 7022 1 1463 . 1 1 157 157 GLN HA H 1 3.457 0.014 . 1 . . . . 157 GLN HA . 7022 1 1464 . 1 1 157 157 GLN HB2 H 1 1.982 0.009 . 1 . . . . 157 GLN HB# . 7022 1 1465 . 1 1 157 157 GLN HB3 H 1 1.982 0.009 . 1 . . . . 157 GLN HB# . 7022 1 1466 . 1 1 157 157 GLN HG2 H 1 2.351 0.000 . 1 . . . . 157 GLN HG# . 7022 1 1467 . 1 1 157 157 GLN HG3 H 1 2.351 0.000 . 1 . . . . 157 GLN HG# . 7022 1 1468 . 1 1 157 157 GLN C C 13 177.248 0.000 . 1 . . . . 157 GLN C . 7022 1 1469 . 1 1 157 157 GLN CA C 13 59.196 0.084 . 1 . . . . 157 GLN CA . 7022 1 1470 . 1 1 157 157 GLN CB C 13 28.831 0.032 . 1 . . . . 157 GLN CB . 7022 1 1471 . 1 1 157 157 GLN CG C 13 32.692 0.000 . 1 . . . . 157 GLN CG . 7022 1 1472 . 1 1 157 157 GLN N N 15 122.226 0.073 . 1 . . . . 157 GLN N . 7022 1 1473 . 1 1 158 158 GLU H H 1 8.600 0.008 . 1 . . . . 158 GLU HN . 7022 1 1474 . 1 1 158 158 GLU HA H 1 4.209 0.016 . 1 . . . . 158 GLU HA . 7022 1 1475 . 1 1 158 158 GLU HB2 H 1 2.131 0.017 . 2 . . . . 158 GLU HB1 . 7022 1 1476 . 1 1 158 158 GLU HB3 H 1 1.916 0.023 . 2 . . . . 158 GLU HB2 . 7022 1 1477 . 1 1 158 158 GLU HG2 H 1 2.366 0.025 . 2 . . . . 158 GLU HG1 . 7022 1 1478 . 1 1 158 158 GLU HG3 H 1 2.333 0.023 . 2 . . . . 158 GLU HG2 . 7022 1 1479 . 1 1 158 158 GLU C C 13 180.320 0.000 . 1 . . . . 158 GLU C . 7022 1 1480 . 1 1 158 158 GLU CA C 13 59.565 0.086 . 1 . . . . 158 GLU CA . 7022 1 1481 . 1 1 158 158 GLU CB C 13 29.128 0.090 . 1 . . . . 158 GLU CB . 7022 1 1482 . 1 1 158 158 GLU CG C 13 36.693 0.068 . 1 . . . . 158 GLU CG . 7022 1 1483 . 1 1 158 158 GLU N N 15 115.511 0.056 . 1 . . . . 158 GLU N . 7022 1 1484 . 1 1 159 159 GLU H H 1 7.699 0.009 . 1 . . . . 159 GLU HN . 7022 1 1485 . 1 1 159 159 GLU HA H 1 3.791 0.012 . 1 . . . . 159 GLU HA . 7022 1 1486 . 1 1 159 159 GLU C C 13 177.690 0.000 . 1 . . . . 159 GLU C . 7022 1 1487 . 1 1 159 159 GLU CA C 13 59.245 0.138 . 1 . . . . 159 GLU CA . 7022 1 1488 . 1 1 159 159 GLU CB C 13 30.610 0.000 . 1 . . . . 159 GLU CB . 7022 1 1489 . 1 1 159 159 GLU N N 15 120.767 0.093 . 1 . . . . 159 GLU N . 7022 1 1490 . 1 1 160 160 PHE H H 1 8.297 0.008 . 1 . . . . 160 PHE HN . 7022 1 1491 . 1 1 160 160 PHE HA H 1 3.888 0.017 . 1 . . . . 160 PHE HA . 7022 1 1492 . 1 1 160 160 PHE HB2 H 1 2.800 0.024 . 2 . . . . 160 PHE HB1 . 7022 1 1493 . 1 1 160 160 PHE HB3 H 1 2.630 0.020 . 2 . . . . 160 PHE HB2 . 7022 1 1494 . 1 1 160 160 PHE C C 13 176.446 0.000 . 1 . . . . 160 PHE C . 7022 1 1495 . 1 1 160 160 PHE CA C 13 62.736 0.159 . 1 . . . . 160 PHE CA . 7022 1 1496 . 1 1 160 160 PHE CB C 13 39.562 0.138 . 1 . . . . 160 PHE CB . 7022 1 1497 . 1 1 160 160 PHE N N 15 119.668 0.056 . 1 . . . . 160 PHE N . 7022 1 1498 . 1 1 161 161 ASP H H 1 8.861 0.006 . 1 . . . . 161 ASP HN . 7022 1 1499 . 1 1 161 161 ASP HA H 1 4.279 0.024 . 1 . . . . 161 ASP HA . 7022 1 1500 . 1 1 161 161 ASP HB2 H 1 2.710 0.012 . 2 . . . . 161 ASP HB1 . 7022 1 1501 . 1 1 161 161 ASP HB3 H 1 2.592 0.024 . 2 . . . . 161 ASP HB2 . 7022 1 1502 . 1 1 161 161 ASP C C 13 179.606 0.000 . 1 . . . . 161 ASP C . 7022 1 1503 . 1 1 161 161 ASP CA C 13 57.093 0.133 . 1 . . . . 161 ASP CA . 7022 1 1504 . 1 1 161 161 ASP CB C 13 40.248 0.096 . 1 . . . . 161 ASP CB . 7022 1 1505 . 1 1 161 161 ASP N N 15 116.548 0.057 . 1 . . . . 161 ASP N . 7022 1 1506 . 1 1 162 162 PHE H H 1 8.056 0.008 . 1 . . . . 162 PHE HN . 7022 1 1507 . 1 1 162 162 PHE HA H 1 4.074 0.010 . 1 . . . . 162 PHE HA . 7022 1 1508 . 1 1 162 162 PHE HB2 H 1 3.203 0.006 . 2 . . . . 162 PHE HB1 . 7022 1 1509 . 1 1 162 162 PHE HB3 H 1 3.039 0.018 . 2 . . . . 162 PHE HB2 . 7022 1 1510 . 1 1 162 162 PHE C C 13 178.598 0.000 . 1 . . . . 162 PHE C . 7022 1 1511 . 1 1 162 162 PHE CA C 13 62.259 0.182 . 1 . . . . 162 PHE CA . 7022 1 1512 . 1 1 162 162 PHE CB C 13 39.267 0.031 . 1 . . . . 162 PHE CB . 7022 1 1513 . 1 1 162 162 PHE N N 15 121.112 0.075 . 1 . . . . 162 PHE N . 7022 1 1514 . 1 1 163 163 VAL H H 1 8.281 0.008 . 1 . . . . 163 VAL HN . 7022 1 1515 . 1 1 163 163 VAL HA H 1 3.134 0.015 . 1 . . . . 163 VAL HA . 7022 1 1516 . 1 1 163 163 VAL HB H 1 2.066 0.019 . 1 . . . . 163 VAL HB . 7022 1 1517 . 1 1 163 163 VAL HG11 H 1 0.923 0.011 . 2 . . . . 163 VAL HG1# . 7022 1 1518 . 1 1 163 163 VAL HG12 H 1 0.923 0.011 . 2 . . . . 163 VAL HG1# . 7022 1 1519 . 1 1 163 163 VAL HG13 H 1 0.923 0.011 . 2 . . . . 163 VAL HG1# . 7022 1 1520 . 1 1 163 163 VAL HG21 H 1 0.200 0.011 . 2 . . . . 163 VAL HG2# . 7022 1 1521 . 1 1 163 163 VAL HG22 H 1 0.200 0.011 . 2 . . . . 163 VAL HG2# . 7022 1 1522 . 1 1 163 163 VAL HG23 H 1 0.200 0.011 . 2 . . . . 163 VAL HG2# . 7022 1 1523 . 1 1 163 163 VAL C C 13 177.433 0.000 . 1 . . . . 163 VAL C . 7022 1 1524 . 1 1 163 163 VAL CA C 13 67.878 0.196 . 1 . . . . 163 VAL CA . 7022 1 1525 . 1 1 163 163 VAL CB C 13 30.572 0.076 . 1 . . . . 163 VAL CB . 7022 1 1526 . 1 1 163 163 VAL CG1 C 13 22.850 0.058 . 2 . . . . 163 VAL CG1 . 7022 1 1527 . 1 1 163 163 VAL CG2 C 13 23.138 0.054 . 2 . . . . 163 VAL CG2 . 7022 1 1528 . 1 1 163 163 VAL N N 15 121.052 0.068 . 1 . . . . 163 VAL N . 7022 1 1529 . 1 1 164 164 LEU H H 1 7.813 0.009 . 1 . . . . 164 LEU HN . 7022 1 1530 . 1 1 164 164 LEU HA H 1 3.871 0.016 . 1 . . . . 164 LEU HA . 7022 1 1531 . 1 1 164 164 LEU HB2 H 1 1.646 0.009 . 2 . . . . 164 LEU HB1 . 7022 1 1532 . 1 1 164 164 LEU HB3 H 1 1.427 0.013 . 2 . . . . 164 LEU HB2 . 7022 1 1533 . 1 1 164 164 LEU HG H 1 1.483 0.006 . 1 . . . . 164 LEU HG . 7022 1 1534 . 1 1 164 164 LEU HD11 H 1 0.664 0.009 . 2 . . . . 164 LEU HD1# . 7022 1 1535 . 1 1 164 164 LEU HD12 H 1 0.664 0.009 . 2 . . . . 164 LEU HD1# . 7022 1 1536 . 1 1 164 164 LEU HD13 H 1 0.664 0.009 . 2 . . . . 164 LEU HD1# . 7022 1 1537 . 1 1 164 164 LEU HD21 H 1 0.708 0.010 . 2 . . . . 164 LEU HD2# . 7022 1 1538 . 1 1 164 164 LEU HD22 H 1 0.708 0.010 . 2 . . . . 164 LEU HD2# . 7022 1 1539 . 1 1 164 164 LEU HD23 H 1 0.708 0.010 . 2 . . . . 164 LEU HD2# . 7022 1 1540 . 1 1 164 164 LEU C C 13 180.103 0.000 . 1 . . . . 164 LEU C . 7022 1 1541 . 1 1 164 164 LEU CA C 13 58.178 0.152 . 1 . . . . 164 LEU CA . 7022 1 1542 . 1 1 164 164 LEU CB C 13 41.118 0.055 . 1 . . . . 164 LEU CB . 7022 1 1543 . 1 1 164 164 LEU CG C 13 26.523 0.226 . 1 . . . . 164 LEU CG . 7022 1 1544 . 1 1 164 164 LEU CD1 C 13 23.384 0.062 . 2 . . . . 164 LEU CD1 . 7022 1 1545 . 1 1 164 164 LEU CD2 C 13 26.272 0.135 . 2 . . . . 164 LEU CD2 . 7022 1 1546 . 1 1 164 164 LEU N N 15 116.304 0.053 . 1 . . . . 164 LEU N . 7022 1 1547 . 1 1 165 165 SER H H 1 7.634 0.004 . 1 . . . . 165 SER HN . 7022 1 1548 . 1 1 165 165 SER HA H 1 4.107 0.010 . 1 . . . . 165 SER HA . 7022 1 1549 . 1 1 165 165 SER HB2 H 1 3.781 0.010 . 1 . . . . 165 SER HB# . 7022 1 1550 . 1 1 165 165 SER HB3 H 1 3.781 0.010 . 1 . . . . 165 SER HB# . 7022 1 1551 . 1 1 165 165 SER C C 13 176.327 0.000 . 1 . . . . 165 SER C . 7022 1 1552 . 1 1 165 165 SER CA C 13 61.349 0.260 . 1 . . . . 165 SER CA . 7022 1 1553 . 1 1 165 165 SER CB C 13 62.072 0.000 . 1 . . . . 165 SER CB . 7022 1 1554 . 1 1 165 165 SER N N 15 115.326 0.072 . 1 . . . . 165 SER N . 7022 1 1555 . 1 1 166 166 LEU H H 1 7.342 0.006 . 1 . . . . 166 LEU HN . 7022 1 1556 . 1 1 166 166 LEU HA H 1 3.861 0.015 . 1 . . . . 166 LEU HA . 7022 1 1557 . 1 1 166 166 LEU HB2 H 1 1.944 0.018 . 2 . . . . 166 LEU HB1 . 7022 1 1558 . 1 1 166 166 LEU HB3 H 1 1.134 0.015 . 2 . . . . 166 LEU HB2 . 7022 1 1559 . 1 1 166 166 LEU HG H 1 1.349 0.014 . 1 . . . . 166 LEU HG . 7022 1 1560 . 1 1 166 166 LEU HD11 H 1 0.648 0.012 . 2 . . . . 166 LEU HD1# . 7022 1 1561 . 1 1 166 166 LEU HD12 H 1 0.648 0.012 . 2 . . . . 166 LEU HD1# . 7022 1 1562 . 1 1 166 166 LEU HD13 H 1 0.648 0.012 . 2 . . . . 166 LEU HD1# . 7022 1 1563 . 1 1 166 166 LEU HD21 H 1 0.216 0.012 . 2 . . . . 166 LEU HD2# . 7022 1 1564 . 1 1 166 166 LEU HD22 H 1 0.216 0.012 . 2 . . . . 166 LEU HD2# . 7022 1 1565 . 1 1 166 166 LEU HD23 H 1 0.216 0.012 . 2 . . . . 166 LEU HD2# . 7022 1 1566 . 1 1 166 166 LEU C C 13 180.178 0.000 . 1 . . . . 166 LEU C . 7022 1 1567 . 1 1 166 166 LEU CA C 13 56.426 0.173 . 1 . . . . 166 LEU CA . 7022 1 1568 . 1 1 166 166 LEU CB C 13 40.639 0.084 . 1 . . . . 166 LEU CB . 7022 1 1569 . 1 1 166 166 LEU CG C 13 25.557 0.072 . 1 . . . . 166 LEU CG . 7022 1 1570 . 1 1 166 166 LEU CD1 C 13 25.442 0.093 . 2 . . . . 166 LEU CD1 . 7022 1 1571 . 1 1 166 166 LEU CD2 C 13 21.771 0.105 . 2 . . . . 166 LEU CD2 . 7022 1 1572 . 1 1 166 166 LEU N N 15 121.269 0.055 . 1 . . . . 166 LEU N . 7022 1 1573 . 1 1 167 167 GLU H H 1 7.630 0.007 . 1 . . . . 167 GLU HN . 7022 1 1574 . 1 1 167 167 GLU HA H 1 3.957 0.025 . 1 . . . . 167 GLU HA . 7022 1 1575 . 1 1 167 167 GLU HB2 H 1 2.351 0.009 . 2 . . . . 167 GLU HB1 . 7022 1 1576 . 1 1 167 167 GLU HB3 H 1 1.974 0.011 . 2 . . . . 167 GLU HB2 . 7022 1 1577 . 1 1 167 167 GLU HG2 H 1 2.848 0.013 . 2 . . . . 167 GLU HG1 . 7022 1 1578 . 1 1 167 167 GLU HG3 H 1 2.158 0.015 . 2 . . . . 167 GLU HG2 . 7022 1 1579 . 1 1 167 167 GLU C C 13 175.329 0.000 . 1 . . . . 167 GLU C . 7022 1 1580 . 1 1 167 167 GLU CA C 13 58.927 0.137 . 1 . . . . 167 GLU CA . 7022 1 1581 . 1 1 167 167 GLU CB C 13 29.736 0.095 . 1 . . . . 167 GLU CB . 7022 1 1582 . 1 1 167 167 GLU CG C 13 36.539 0.052 . 1 . . . . 167 GLU CG . 7022 1 1583 . 1 1 167 167 GLU N N 15 117.097 0.071 . 1 . . . . 167 GLU N . 7022 1 1584 . 1 1 168 168 GLU H H 1 7.004 0.010 . 1 . . . . 168 GLU HN . 7022 1 1585 . 1 1 168 168 GLU HA H 1 4.303 0.010 . 1 . . . . 168 GLU HA . 7022 1 1586 . 1 1 168 168 GLU HB2 H 1 2.235 0.020 . 2 . . . . 168 GLU HB1 . 7022 1 1587 . 1 1 168 168 GLU HB3 H 1 1.788 0.020 . 2 . . . . 168 GLU HB2 . 7022 1 1588 . 1 1 168 168 GLU HG2 H 1 2.318 0.018 . 2 . . . . 168 GLU HG1 . 7022 1 1589 . 1 1 168 168 GLU HG3 H 1 2.198 0.021 . 2 . . . . 168 GLU HG2 . 7022 1 1590 . 1 1 168 168 GLU C C 13 176.374 0.000 . 1 . . . . 168 GLU C . 7022 1 1591 . 1 1 168 168 GLU CA C 13 55.634 0.096 . 1 . . . . 168 GLU CA . 7022 1 1592 . 1 1 168 168 GLU CB C 13 30.286 0.076 . 1 . . . . 168 GLU CB . 7022 1 1593 . 1 1 168 168 GLU CG C 13 35.770 0.126 . 1 . . . . 168 GLU CG . 7022 1 1594 . 1 1 168 168 GLU N N 15 115.001 0.049 . 1 . . . . 168 GLU N . 7022 1 1595 . 1 1 169 169 LEU H H 1 7.351 0.005 . 1 . . . . 169 LEU HN . 7022 1 1596 . 1 1 169 169 LEU HA H 1 4.334 0.010 . 1 . . . . 169 LEU HA . 7022 1 1597 . 1 1 169 169 LEU HB2 H 1 1.630 0.024 . 2 . . . . 169 LEU HB1 . 7022 1 1598 . 1 1 169 169 LEU HB3 H 1 1.484 0.012 . 2 . . . . 169 LEU HB2 . 7022 1 1599 . 1 1 169 169 LEU HG H 1 1.688 0.019 . 1 . . . . 169 LEU HG . 7022 1 1600 . 1 1 169 169 LEU HD11 H 1 0.858 0.014 . 2 . . . . 169 LEU HD1# . 7022 1 1601 . 1 1 169 169 LEU HD12 H 1 0.858 0.014 . 2 . . . . 169 LEU HD1# . 7022 1 1602 . 1 1 169 169 LEU HD13 H 1 0.858 0.014 . 2 . . . . 169 LEU HD1# . 7022 1 1603 . 1 1 169 169 LEU HD21 H 1 0.805 0.014 . 2 . . . . 169 LEU HD2# . 7022 1 1604 . 1 1 169 169 LEU HD22 H 1 0.805 0.014 . 2 . . . . 169 LEU HD2# . 7022 1 1605 . 1 1 169 169 LEU HD23 H 1 0.805 0.014 . 2 . . . . 169 LEU HD2# . 7022 1 1606 . 1 1 169 169 LEU C C 13 177.101 0.000 . 1 . . . . 169 LEU C . 7022 1 1607 . 1 1 169 169 LEU CA C 13 54.634 0.051 . 1 . . . . 169 LEU CA . 7022 1 1608 . 1 1 169 169 LEU CB C 13 42.730 0.145 . 1 . . . . 169 LEU CB . 7022 1 1609 . 1 1 169 169 LEU CG C 13 26.731 0.045 . 1 . . . . 169 LEU CG . 7022 1 1610 . 1 1 169 169 LEU CD1 C 13 25.457 0.000 . 2 . . . . 169 LEU CD1 . 7022 1 1611 . 1 1 169 169 LEU CD2 C 13 23.077 0.032 . 2 . . . . 169 LEU CD2 . 7022 1 1612 . 1 1 169 169 LEU N N 15 120.397 0.066 . 1 . . . . 169 LEU N . 7022 1 1613 . 1 1 170 170 GLU H H 1 8.439 0.005 . 1 . . . . 170 GLU HN . 7022 1 1614 . 1 1 170 170 GLU HA H 1 4.229 0.010 . 1 . . . . 170 GLU HA . 7022 1 1615 . 1 1 170 170 GLU HB2 H 1 1.910 0.016 . 2 . . . . 170 GLU HB1 . 7022 1 1616 . 1 1 170 170 GLU HB3 H 1 1.835 0.018 . 2 . . . . 170 GLU HB2 . 7022 1 1617 . 1 1 170 170 GLU HG2 H 1 2.138 0.020 . 2 . . . . 170 GLU HG1 . 7022 1 1618 . 1 1 170 170 GLU HG3 H 1 2.213 0.013 . 2 . . . . 170 GLU HG2 . 7022 1 1619 . 1 1 170 170 GLU C C 13 176.039 0.022 . 1 . . . . 170 GLU C . 7022 1 1620 . 1 1 170 170 GLU CA C 13 56.367 0.111 . 1 . . . . 170 GLU CA . 7022 1 1621 . 1 1 170 170 GLU CB C 13 30.661 0.051 . 1 . . . . 170 GLU CB . 7022 1 1622 . 1 1 170 170 GLU CG C 13 36.529 0.065 . 1 . . . . 170 GLU CG . 7022 1 1623 . 1 1 170 170 GLU N N 15 121.278 0.090 . 1 . . . . 170 GLU N . 7022 1 1624 . 1 1 171 171 HIS H H 1 8.326 0.008 . 1 . . . . 171 HIS HN . 7022 1 1625 . 1 1 171 171 HIS C C 13 174.666 0.000 . 1 . . . . 171 HIS C . 7022 1 1626 . 1 1 171 171 HIS CA C 13 55.992 0.106 . 1 . . . . 171 HIS CA . 7022 1 1627 . 1 1 171 171 HIS CB C 13 30.722 0.000 . 1 . . . . 171 HIS CB . 7022 1 1628 . 1 1 171 171 HIS N N 15 120.066 0.097 . 1 . . . . 171 HIS N . 7022 1 stop_ save_