data_52371 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 52371 _Entry.Title ; 1H, 13C and 15N backbone resonance assignment of Cel45A from Phanerochaete chrysosporium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-03-27 _Entry.Accession_date 2024-03-27 _Entry.Last_release_date 2024-03-27 _Entry.Original_release_date 2024-03-27 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Laura Okmane . . . 0000-0001-8260-6230 52371 2 Mats Sandgren . . . 0000-0002-2358-4534 52371 3 Jerry Stahlberg . . . 0000-0003-4059-8580 52371 4 Gustav Nestor . . . 0000-0001-8372-8811 52371 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 52371 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 488 52371 '15N chemical shifts' 166 52371 '1H chemical shifts' 555 52371 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2024-07-19 . original BMRB . 52371 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 52371 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 38888713 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone resonance assignment of Cel45A from Phanerochaete chrysosporium ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2024 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Laura Okmane . . . . 52371 1 2 Mats Sandgren . . . . 52371 1 3 Jerry Stahlberg . . . . 52371 1 4 Gustav Nestor . . . . 52371 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 52371 _Assembly.ID 1 _Assembly.Name PcCel45A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18100 _Assembly.Enzyme_commission_number 3.2.1.4 _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 PcCel45A 1 $entity_1 . . yes native no no . . . 52371 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'EC 3.2.1.4' 52371 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 52371 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; ATGGYVQQATGQASFTMYSG CGSPACGKAASGFTAAINQL AFGSAPGLGAGDACGRCFAL TGNHDPYSPNYTGPFGQTIV VKVTDLCPVQGNQEFCGQTT SNPTNQHGMPFHFDICEDTG GSAKFFPSGHGALTGTFTEV SCSQWSGSDGGQLWNGACLS GETAPNWPSTACGNKGTAPS ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes PDB 3X2L . PcCel45A . . . . . . . . . . . . . . 52371 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 . ALA . 52371 1 2 . THR . 52371 1 3 . GLY . 52371 1 4 . GLY . 52371 1 5 . TYR . 52371 1 6 . VAL . 52371 1 7 . GLN . 52371 1 8 . GLN . 52371 1 9 . ALA . 52371 1 10 . THR . 52371 1 11 . GLY . 52371 1 12 . GLN . 52371 1 13 . ALA . 52371 1 14 . SER . 52371 1 15 . PHE . 52371 1 16 . THR . 52371 1 17 . MET . 52371 1 18 . TYR . 52371 1 19 . SER . 52371 1 20 . GLY . 52371 1 21 . CYS . 52371 1 22 . GLY . 52371 1 23 . SER . 52371 1 24 . PRO . 52371 1 25 . ALA . 52371 1 26 . CYS . 52371 1 27 . GLY . 52371 1 28 . LYS . 52371 1 29 . ALA . 52371 1 30 . ALA . 52371 1 31 . SER . 52371 1 32 . GLY . 52371 1 33 . PHE . 52371 1 34 . THR . 52371 1 35 . ALA . 52371 1 36 . ALA . 52371 1 37 . ILE . 52371 1 38 . ASN . 52371 1 39 . GLN . 52371 1 40 . LEU . 52371 1 41 . ALA . 52371 1 42 . PHE . 52371 1 43 . GLY . 52371 1 44 . SER . 52371 1 45 . ALA . 52371 1 46 . PRO . 52371 1 47 . GLY . 52371 1 48 . LEU . 52371 1 49 . GLY . 52371 1 50 . ALA . 52371 1 51 . GLY . 52371 1 52 . ASP . 52371 1 53 . ALA . 52371 1 54 . CYS . 52371 1 55 . GLY . 52371 1 56 . ARG . 52371 1 57 . CYS . 52371 1 58 . PHE . 52371 1 59 . ALA . 52371 1 60 . LEU . 52371 1 61 . THR . 52371 1 62 . GLY . 52371 1 63 . ASN . 52371 1 64 . HIS . 52371 1 65 . ASP . 52371 1 66 . PRO . 52371 1 67 . TYR . 52371 1 68 . SER . 52371 1 69 . PRO . 52371 1 70 . ASN . 52371 1 71 . TYR . 52371 1 72 . THR . 52371 1 73 . GLY . 52371 1 74 . PRO . 52371 1 75 . PHE . 52371 1 76 . GLY . 52371 1 77 . GLN . 52371 1 78 . THR . 52371 1 79 . ILE . 52371 1 80 . VAL . 52371 1 81 . VAL . 52371 1 82 . LYS . 52371 1 83 . VAL . 52371 1 84 . THR . 52371 1 85 . ASP . 52371 1 86 . LEU . 52371 1 87 . CYS . 52371 1 88 . PRO . 52371 1 89 . VAL . 52371 1 90 . GLN . 52371 1 91 . GLY . 52371 1 92 . ASN . 52371 1 93 . GLN . 52371 1 94 . GLU . 52371 1 95 . PHE . 52371 1 96 . CYS . 52371 1 97 . GLY . 52371 1 98 . GLN . 52371 1 99 . THR . 52371 1 100 . THR . 52371 1 101 . SER . 52371 1 102 . ASN . 52371 1 103 . PRO . 52371 1 104 . THR . 52371 1 105 . ASN . 52371 1 106 . GLN . 52371 1 107 . HIS . 52371 1 108 . GLY . 52371 1 109 . MET . 52371 1 110 . PRO . 52371 1 111 . PHE . 52371 1 112 . HIS . 52371 1 113 . PHE . 52371 1 114 . ASP . 52371 1 115 . ILE . 52371 1 116 . CYS . 52371 1 117 . GLU . 52371 1 118 . ASP . 52371 1 119 . THR . 52371 1 120 . GLY . 52371 1 121 . GLY . 52371 1 122 . SER . 52371 1 123 . ALA . 52371 1 124 . LYS . 52371 1 125 . PHE . 52371 1 126 . PHE . 52371 1 127 . PRO . 52371 1 128 . SER . 52371 1 129 . GLY . 52371 1 130 . HIS . 52371 1 131 . GLY . 52371 1 132 . ALA . 52371 1 133 . LEU . 52371 1 134 . THR . 52371 1 135 . GLY . 52371 1 136 . THR . 52371 1 137 . PHE . 52371 1 138 . THR . 52371 1 139 . GLU . 52371 1 140 . VAL . 52371 1 141 . SER . 52371 1 142 . CYS . 52371 1 143 . SER . 52371 1 144 . GLN . 52371 1 145 . TRP . 52371 1 146 . SER . 52371 1 147 . GLY . 52371 1 148 . SER . 52371 1 149 . ASP . 52371 1 150 . GLY . 52371 1 151 . GLY . 52371 1 152 . GLN . 52371 1 153 . LEU . 52371 1 154 . TRP . 52371 1 155 . ASN . 52371 1 156 . GLY . 52371 1 157 . ALA . 52371 1 158 . CYS . 52371 1 159 . LEU . 52371 1 160 . SER . 52371 1 161 . GLY . 52371 1 162 . GLU . 52371 1 163 . THR . 52371 1 164 . ALA . 52371 1 165 . PRO . 52371 1 166 . ASN . 52371 1 167 . TRP . 52371 1 168 . PRO . 52371 1 169 . SER . 52371 1 170 . THR . 52371 1 171 . ALA . 52371 1 172 . CYS . 52371 1 173 . GLY . 52371 1 174 . ASN . 52371 1 175 . LYS . 52371 1 176 . GLY . 52371 1 177 . THR . 52371 1 178 . ALA . 52371 1 179 . PRO . 52371 1 180 . SER . 52371 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 . ALA 1 1 52371 1 . THR 2 2 52371 1 . GLY 3 3 52371 1 . GLY 4 4 52371 1 . TYR 5 5 52371 1 . VAL 6 6 52371 1 . GLN 7 7 52371 1 . GLN 8 8 52371 1 . ALA 9 9 52371 1 . THR 10 10 52371 1 . GLY 11 11 52371 1 . GLN 12 12 52371 1 . ALA 13 13 52371 1 . SER 14 14 52371 1 . PHE 15 15 52371 1 . THR 16 16 52371 1 . MET 17 17 52371 1 . TYR 18 18 52371 1 . SER 19 19 52371 1 . GLY 20 20 52371 1 . CYS 21 21 52371 1 . GLY 22 22 52371 1 . SER 23 23 52371 1 . PRO 24 24 52371 1 . ALA 25 25 52371 1 . CYS 26 26 52371 1 . GLY 27 27 52371 1 . LYS 28 28 52371 1 . ALA 29 29 52371 1 . ALA 30 30 52371 1 . SER 31 31 52371 1 . GLY 32 32 52371 1 . PHE 33 33 52371 1 . THR 34 34 52371 1 . ALA 35 35 52371 1 . ALA 36 36 52371 1 . ILE 37 37 52371 1 . ASN 38 38 52371 1 . GLN 39 39 52371 1 . LEU 40 40 52371 1 . ALA 41 41 52371 1 . PHE 42 42 52371 1 . GLY 43 43 52371 1 . SER 44 44 52371 1 . ALA 45 45 52371 1 . PRO 46 46 52371 1 . GLY 47 47 52371 1 . LEU 48 48 52371 1 . GLY 49 49 52371 1 . ALA 50 50 52371 1 . GLY 51 51 52371 1 . ASP 52 52 52371 1 . ALA 53 53 52371 1 . CYS 54 54 52371 1 . GLY 55 55 52371 1 . ARG 56 56 52371 1 . CYS 57 57 52371 1 . PHE 58 58 52371 1 . ALA 59 59 52371 1 . LEU 60 60 52371 1 . THR 61 61 52371 1 . GLY 62 62 52371 1 . ASN 63 63 52371 1 . HIS 64 64 52371 1 . ASP 65 65 52371 1 . PRO 66 66 52371 1 . TYR 67 67 52371 1 . SER 68 68 52371 1 . PRO 69 69 52371 1 . ASN 70 70 52371 1 . TYR 71 71 52371 1 . THR 72 72 52371 1 . GLY 73 73 52371 1 . PRO 74 74 52371 1 . PHE 75 75 52371 1 . GLY 76 76 52371 1 . GLN 77 77 52371 1 . THR 78 78 52371 1 . ILE 79 79 52371 1 . VAL 80 80 52371 1 . VAL 81 81 52371 1 . LYS 82 82 52371 1 . VAL 83 83 52371 1 . THR 84 84 52371 1 . ASP 85 85 52371 1 . LEU 86 86 52371 1 . CYS 87 87 52371 1 . PRO 88 88 52371 1 . VAL 89 89 52371 1 . GLN 90 90 52371 1 . GLY 91 91 52371 1 . ASN 92 92 52371 1 . GLN 93 93 52371 1 . GLU 94 94 52371 1 . PHE 95 95 52371 1 . CYS 96 96 52371 1 . GLY 97 97 52371 1 . GLN 98 98 52371 1 . THR 99 99 52371 1 . THR 100 100 52371 1 . SER 101 101 52371 1 . ASN 102 102 52371 1 . PRO 103 103 52371 1 . THR 104 104 52371 1 . ASN 105 105 52371 1 . GLN 106 106 52371 1 . HIS 107 107 52371 1 . GLY 108 108 52371 1 . MET 109 109 52371 1 . PRO 110 110 52371 1 . PHE 111 111 52371 1 . HIS 112 112 52371 1 . PHE 113 113 52371 1 . ASP 114 114 52371 1 . ILE 115 115 52371 1 . CYS 116 116 52371 1 . GLU 117 117 52371 1 . ASP 118 118 52371 1 . THR 119 119 52371 1 . GLY 120 120 52371 1 . GLY 121 121 52371 1 . SER 122 122 52371 1 . ALA 123 123 52371 1 . LYS 124 124 52371 1 . PHE 125 125 52371 1 . PHE 126 126 52371 1 . PRO 127 127 52371 1 . SER 128 128 52371 1 . GLY 129 129 52371 1 . HIS 130 130 52371 1 . GLY 131 131 52371 1 . ALA 132 132 52371 1 . LEU 133 133 52371 1 . THR 134 134 52371 1 . GLY 135 135 52371 1 . THR 136 136 52371 1 . PHE 137 137 52371 1 . THR 138 138 52371 1 . GLU 139 139 52371 1 . VAL 140 140 52371 1 . SER 141 141 52371 1 . CYS 142 142 52371 1 . SER 143 143 52371 1 . GLN 144 144 52371 1 . TRP 145 145 52371 1 . SER 146 146 52371 1 . GLY 147 147 52371 1 . SER 148 148 52371 1 . ASP 149 149 52371 1 . GLY 150 150 52371 1 . GLY 151 151 52371 1 . GLN 152 152 52371 1 . LEU 153 153 52371 1 . TRP 154 154 52371 1 . ASN 155 155 52371 1 . GLY 156 156 52371 1 . ALA 157 157 52371 1 . CYS 158 158 52371 1 . LEU 159 159 52371 1 . SER 160 160 52371 1 . GLY 161 161 52371 1 . GLU 162 162 52371 1 . THR 163 163 52371 1 . ALA 164 164 52371 1 . PRO 165 165 52371 1 . ASN 166 166 52371 1 . TRP 167 167 52371 1 . PRO 168 168 52371 1 . SER 169 169 52371 1 . THR 170 170 52371 1 . ALA 171 171 52371 1 . CYS 172 172 52371 1 . GLY 173 173 52371 1 . ASN 174 174 52371 1 . LYS 175 175 52371 1 . GLY 176 176 52371 1 . THR 177 177 52371 1 . ALA 178 178 52371 1 . PRO 179 179 52371 1 . SER 180 180 52371 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 52371 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 2822231 organism . 'Phanerochaete chrysosporium' 'Phanerochaete chrysosporium' . . Eukaryota Fungi Phanerochaete chrysosporium . . . . . . . . . . . . . 52371 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 52371 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Pichia pastoris' . . . Pichia pastoris KM71H . . plasmid . . pPICZa . . . 52371 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 52371 _Sample.ID 1 _Sample.Name PcCel45A _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PcCel45A '[U-70% 13C; U-95% 15N]' . . 1 $entity_1 . . 450 . . uM . . . . 52371 1 2 D2O '[U-99% 2H]' . . . . . . 10 . . % . . . . 52371 1 3 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 52371 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 52371 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 52371 _Sample_condition_list.ID 1 _Sample_condition_list.Name Normal _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . pH 52371 1 pressure 1 . atm 52371 1 temperature 298 . K 52371 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 52371 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 4.1.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 52371 1 processing . 52371 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 52371 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 52371 2 'data analysis' . 52371 2 'peak picking' . 52371 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 52371 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker Avance III 600 MHz' _NMR_spectrometer.Details '5 mm 1H/13C/15N/31P inverse detection cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength '600 MHz' save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 52371 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 2 '2D 1H-13C HSQC' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 3 '3D CBCA(CO)NH' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 4 '3D HNCACB' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 5 '3D HNCO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 6 '3D HNCACO' no no no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 7 '3D HNCA' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 8 '3D HBHA(CO)NH' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 52371 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 52371 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 52371 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 52371 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 52371 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 52371 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name CL:default _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 52371 1 2 '2D 1H-13C HSQC' . . . 52371 1 3 '3D CBCA(CO)NH' . . . 52371 1 4 '3D HNCACB' . . . 52371 1 5 '3D HNCO' . . . 52371 1 6 '3D HNCACO' . . . 52371 1 7 '3D HNCA' . . . 52371 1 8 '3D HBHA(CO)NH' . . . 52371 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 52371 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 3 3 GLY H H 1 8.959988913 0.001760116263 . . . . . 1 . 3 GLY H . 52371 1 2 . 1 . 1 3 3 GLY HA2 H 1 3.891430121 . . . . . . 1 . 3 GLY HA2 . 52371 1 3 . 1 . 1 3 3 GLY HA3 H 1 4.381751174 . . . . . . 1 . 3 GLY HA3 . 52371 1 4 . 1 . 1 3 3 GLY C C 13 173.9199205 . . . . . . 1 . 3 GLY C . 52371 1 5 . 1 . 1 3 3 GLY CA C 13 45.86345608 . . . . . . 1 . 3 GLY CA . 52371 1 6 . 1 . 1 3 3 GLY N N 15 113.220344 0.01934187567 . . . . . 1 . 3 GLY N . 52371 1 7 . 1 . 1 4 4 GLY H H 1 8.436552323 0.0003938744742 . . . . . 1 . 4 GLY H . 52371 1 8 . 1 . 1 4 4 GLY HA2 H 1 3.664749571 . . . . . . 1 . 4 GLY HA2 . 52371 1 9 . 1 . 1 4 4 GLY HA3 H 1 4.033107085 . . . . . . 1 . 4 GLY HA3 . 52371 1 10 . 1 . 1 4 4 GLY C C 13 173.5179467 . . . . . . 1 . 4 GLY C . 52371 1 11 . 1 . 1 4 4 GLY CA C 13 44.8691397 . . . . . . 1 . 4 GLY CA . 52371 1 12 . 1 . 1 4 4 GLY N N 15 108.084924 0.007761257872 . . . . . 1 . 4 GLY N . 52371 1 13 . 1 . 1 5 5 TYR H H 1 6.595221049 0.002220161776 . . . . . 1 . 5 TYR H . 52371 1 14 . 1 . 1 5 5 TYR HA H 1 4.149704647 . . . . . . 1 . 5 TYR HA . 52371 1 15 . 1 . 1 5 5 TYR HB2 H 1 2.100912546 . . . . . . 1 . 5 TYR HB# . 52371 1 16 . 1 . 1 5 5 TYR HB3 H 1 2.100912546 . . . . . . 1 . 5 TYR HB# . 52371 1 17 . 1 . 1 5 5 TYR C C 13 174.131502 0.0114853842 . . . . . 1 . 5 TYR C . 52371 1 18 . 1 . 1 5 5 TYR CA C 13 59.84382687 . . . . . . 1 . 5 TYR CA . 52371 1 19 . 1 . 1 5 5 TYR CB C 13 37.28148323 . . . . . . 1 . 5 TYR CB . 52371 1 20 . 1 . 1 5 5 TYR N N 15 116.4499493 0.03960676985 . . . . . 1 . 5 TYR N . 52371 1 21 . 1 . 1 6 6 VAL H H 1 8.059803945 0.001521046295 . . . . . 1 . 6 VAL H . 52371 1 22 . 1 . 1 6 6 VAL HA H 1 3.999305359 . . . . . . 1 . 6 VAL HA . 52371 1 23 . 1 . 1 6 6 VAL HB H 1 1.698311716 . . . . . . 1 . 6 VAL HB . 52371 1 24 . 1 . 1 6 6 VAL C C 13 173.591831 . . . . . . 1 . 6 VAL C . 52371 1 25 . 1 . 1 6 6 VAL CA C 13 63.01070477 . . . . . . 1 . 6 VAL CA . 52371 1 26 . 1 . 1 6 6 VAL CB C 13 32.20972197 . . . . . . 1 . 6 VAL CB . 52371 1 27 . 1 . 1 6 6 VAL N N 15 124.5053255 0.01887595016 . . . . . 1 . 6 VAL N . 52371 1 28 . 1 . 1 7 7 GLN H H 1 7.863263346 0.001449691218 . . . . . 1 . 7 GLN H . 52371 1 29 . 1 . 1 7 7 GLN HA H 1 3.698555059 . . . . . . 1 . 7 GLN HA . 52371 1 30 . 1 . 1 7 7 GLN C C 13 173.7421516 0.0006898619236 . . . . . 1 . 7 GLN C . 52371 1 31 . 1 . 1 7 7 GLN CA C 13 54.49728632 . . . . . . 1 . 7 GLN CA . 52371 1 32 . 1 . 1 7 7 GLN CB C 13 27.88551147 . . . . . . 1 . 7 GLN CB . 52371 1 33 . 1 . 1 7 7 GLN N N 15 125.4154474 0.04225194056 . . . . . 1 . 7 GLN N . 52371 1 34 . 1 . 1 8 8 GLN H H 1 6.881302633 0.001702337987 . . . . . 1 . 8 GLN H . 52371 1 35 . 1 . 1 8 8 GLN HA H 1 4.738533801 0.009958044045 . . . . . 1 . 8 GLN HA . 52371 1 36 . 1 . 1 8 8 GLN HB2 H 1 2.042309449 0.009588864354 . . . . . 1 . 8 GLN HB# . 52371 1 37 . 1 . 1 8 8 GLN HB3 H 1 2.042309449 0.009588864354 . . . . . 1 . 8 GLN HB# . 52371 1 38 . 1 . 1 8 8 GLN HG2 H 1 2.396491726 . . . . . . 1 . 8 GLN HG2 . 52371 1 39 . 1 . 1 8 8 GLN C C 13 173.8734129 0.009675967395 . . . . . 1 . 8 GLN C . 52371 1 40 . 1 . 1 8 8 GLN CA C 13 53.43786417 0.01213583194 . . . . . 1 . 8 GLN CA . 52371 1 41 . 1 . 1 8 8 GLN CB C 13 32.45622841 . . . . . . 1 . 8 GLN CB . 52371 1 42 . 1 . 1 8 8 GLN N N 15 119.560195 0.03591114869 . . . . . 1 . 8 GLN N . 52371 1 43 . 1 . 1 9 9 ALA H H 1 9.085892834 0.001791525004 . . . . . 1 . 9 ALA H . 52371 1 44 . 1 . 1 9 9 ALA HA H 1 4.724934224 0.001747321353 . . . . . 1 . 9 ALA HA . 52371 1 45 . 1 . 1 9 9 ALA HB1 H 1 1.865218996 0.001879999139 . . . . . 1 . 9 ALA HB# . 52371 1 46 . 1 . 1 9 9 ALA HB2 H 1 1.865218996 0.001879999139 . . . . . 1 . 9 ALA HB# . 52371 1 47 . 1 . 1 9 9 ALA HB3 H 1 1.865218996 0.001879999139 . . . . . 1 . 9 ALA HB# . 52371 1 48 . 1 . 1 9 9 ALA C C 13 176.3943653 . . . . . . 1 . 9 ALA C . 52371 1 49 . 1 . 1 9 9 ALA CA C 13 54.47380552 . . . . . . 1 . 9 ALA CA . 52371 1 50 . 1 . 1 9 9 ALA CB C 13 19.82463123 0.04031827007 . . . . . 1 . 9 ALA CB . 52371 1 51 . 1 . 1 9 9 ALA N N 15 120.9040797 0.01931041241 . . . . . 1 . 9 ALA N . 52371 1 52 . 1 . 1 10 10 THR H H 1 7.528815687 0.0007805605538 . . . . . 1 . 10 THR H . 52371 1 53 . 1 . 1 10 10 THR HA H 1 4.518003435 0.00764279103 . . . . . 1 . 10 THR HA . 52371 1 54 . 1 . 1 10 10 THR HB H 1 4.119375875 0.004552071167 . . . . . 1 . 10 THR HB . 52371 1 55 . 1 . 1 10 10 THR HG21 H 1 1.205052788 0.006295901646 . . . . . 1 . 10 THR HG2# . 52371 1 56 . 1 . 1 10 10 THR HG22 H 1 1.205052788 0.006295901646 . . . . . 1 . 10 THR HG2# . 52371 1 57 . 1 . 1 10 10 THR HG23 H 1 1.205052788 0.006295901646 . . . . . 1 . 10 THR HG2# . 52371 1 58 . 1 . 1 10 10 THR C C 13 172.0842737 0.008598056635 . . . . . 1 . 10 THR C . 52371 1 59 . 1 . 1 10 10 THR CA C 13 58.85830243 0.04397090277 . . . . . 1 . 10 THR CA . 52371 1 60 . 1 . 1 10 10 THR CB C 13 71.58976193 0.04148858053 . . . . . 1 . 10 THR CB . 52371 1 61 . 1 . 1 10 10 THR CG2 C 13 21.18739395 . . . . . . 1 . 10 THR CG2 . 52371 1 62 . 1 . 1 10 10 THR N N 15 107.1184966 0.01511919367 . . . . . 1 . 10 THR N . 52371 1 63 . 1 . 1 11 11 GLY H H 1 6.580010718 0.0007931360093 . . . . . 1 . 11 GLY H . 52371 1 64 . 1 . 1 11 11 GLY HA2 H 1 3.765851925 . . . . . . 1 . 11 GLY HA2 . 52371 1 65 . 1 . 1 11 11 GLY HA3 H 1 3.922931307 . . . . . . 1 . 11 GLY HA3 . 52371 1 66 . 1 . 1 11 11 GLY C C 13 171.2031679 0.01197558136 . . . . . 1 . 11 GLY C . 52371 1 67 . 1 . 1 11 11 GLY CA C 13 45.88509269 . . . . . . 1 . 11 GLY CA . 52371 1 68 . 1 . 1 11 11 GLY N N 15 107.076231 0.01209595149 . . . . . 1 . 11 GLY N . 52371 1 69 . 1 . 1 12 12 GLN H H 1 8.381607364 0.001277501839 . . . . . 1 . 12 GLN H . 52371 1 70 . 1 . 1 12 12 GLN HA H 1 5.172124611 . . . . . . 1 . 12 GLN HA . 52371 1 71 . 1 . 1 12 12 GLN C C 13 174.1360824 0.01152882519 . . . . . 1 . 12 GLN C . 52371 1 72 . 1 . 1 12 12 GLN CA C 13 55.30782582 . . . . . . 1 . 12 GLN CA . 52371 1 73 . 1 . 1 12 12 GLN CB C 13 32.40548182 . . . . . . 1 . 12 GLN CB . 52371 1 74 . 1 . 1 12 12 GLN N N 15 119.5688134 0.02928259068 . . . . . 1 . 12 GLN N . 52371 1 75 . 1 . 1 13 13 ALA H H 1 8.22760878 0.001274675903 . . . . . 1 . 13 ALA H . 52371 1 76 . 1 . 1 13 13 ALA HA H 1 5.295040718 . . . . . . 1 . 13 ALA HA . 52371 1 77 . 1 . 1 13 13 ALA HB1 H 1 1.156940319 . . . . . . 1 . 13 ALA HB# . 52371 1 78 . 1 . 1 13 13 ALA HB2 H 1 1.156940319 . . . . . . 1 . 13 ALA HB# . 52371 1 79 . 1 . 1 13 13 ALA HB3 H 1 1.156940319 . . . . . . 1 . 13 ALA HB# . 52371 1 80 . 1 . 1 13 13 ALA C C 13 175.231139 0.01130436136 . . . . . 1 . 13 ALA C . 52371 1 81 . 1 . 1 13 13 ALA CA C 13 50.56690835 . . . . . . 1 . 13 ALA CA . 52371 1 82 . 1 . 1 13 13 ALA CB C 13 25.00248266 . . . . . . 1 . 13 ALA CB . 52371 1 83 . 1 . 1 13 13 ALA N N 15 119.66363 0.02227548144 . . . . . 1 . 13 ALA N . 52371 1 84 . 1 . 1 14 14 SER H H 1 8.107181605 0.001150259046 . . . . . 1 . 14 SER H . 52371 1 85 . 1 . 1 14 14 SER HA H 1 5.196523338 . . . . . . 1 . 14 SER HA . 52371 1 86 . 1 . 1 14 14 SER C C 13 173.2212836 0.009692745658 . . . . . 1 . 14 SER C . 52371 1 87 . 1 . 1 14 14 SER CA C 13 56.09736191 . . . . . . 1 . 14 SER CA . 52371 1 88 . 1 . 1 14 14 SER CB C 13 65.78178341 . . . . . . 1 . 14 SER CB . 52371 1 89 . 1 . 1 14 14 SER N N 15 109.0150964 0.01514130551 . . . . . 1 . 14 SER N . 52371 1 90 . 1 . 1 15 15 PHE H H 1 8.999721384 0.002373347377 . . . . . 1 . 15 PHE H . 52371 1 91 . 1 . 1 15 15 PHE HA H 1 5.841364505 . . . . . . 1 . 15 PHE HA . 52371 1 92 . 1 . 1 15 15 PHE C C 13 176.3041645 0.006176059963 . . . . . 1 . 15 PHE C . 52371 1 93 . 1 . 1 15 15 PHE CA C 13 56.5389642 . . . . . . 1 . 15 PHE CA . 52371 1 94 . 1 . 1 15 15 PHE CB C 13 44.8476943 . . . . . . 1 . 15 PHE CB . 52371 1 95 . 1 . 1 15 15 PHE N N 15 113.9108133 0.02377027668 . . . . . 1 . 15 PHE N . 52371 1 96 . 1 . 1 16 16 THR H H 1 8.312792345 0.0006150461747 . . . . . 1 . 16 THR H . 52371 1 97 . 1 . 1 16 16 THR HA H 1 4.998979065 . . . . . . 1 . 16 THR HA . 52371 1 98 . 1 . 1 16 16 THR C C 13 172.6047255 . . . . . . 1 . 16 THR C . 52371 1 99 . 1 . 1 16 16 THR CA C 13 60.98326222 . . . . . . 1 . 16 THR CA . 52371 1 100 . 1 . 1 16 16 THR N N 15 114.3169385 0.005504664 . . . . . 1 . 16 THR N . 52371 1 101 . 1 . 1 17 17 MET H H 1 8.760014875 0.002441481735 . . . . . 1 . 17 MET H . 52371 1 102 . 1 . 1 17 17 MET HA H 1 6.089654575 . . . . . . 1 . 17 MET HA . 52371 1 103 . 1 . 1 17 17 MET C C 13 174.258433 0.003526050578 . . . . . 1 . 17 MET C . 52371 1 104 . 1 . 1 17 17 MET CA C 13 54.26400763 . . . . . . 1 . 17 MET CA . 52371 1 105 . 1 . 1 17 17 MET CB C 13 37.63323563 . . . . . . 1 . 17 MET CB . 52371 1 106 . 1 . 1 17 17 MET N N 15 119.1765399 0.02743101876 . . . . . 1 . 17 MET N . 52371 1 107 . 1 . 1 18 18 TYR H H 1 8.430948341 0.001402089975 . . . . . 1 . 18 TYR H . 52371 1 108 . 1 . 1 18 18 TYR HA H 1 5.046452579 . . . . . . 1 . 18 TYR HA . 52371 1 109 . 1 . 1 18 18 TYR HB2 H 1 3.36551548 . . . . . . 1 . 18 TYR HB2 . 52371 1 110 . 1 . 1 18 18 TYR HB3 H 1 2.959531133 . . . . . . 1 . 18 TYR HB3 . 52371 1 111 . 1 . 1 18 18 TYR C C 13 172.2253508 0.0132722683 . . . . . 1 . 18 TYR C . 52371 1 112 . 1 . 1 18 18 TYR CA C 13 55.30001438 . . . . . . 1 . 18 TYR CA . 52371 1 113 . 1 . 1 18 18 TYR CB C 13 40.81460859 . . . . . . 1 . 18 TYR CB . 52371 1 114 . 1 . 1 18 18 TYR N N 15 119.9702441 0.01557558073 . . . . . 1 . 18 TYR N . 52371 1 115 . 1 . 1 19 19 SER H H 1 8.635537156 0.001454909377 . . . . . 1 . 19 SER H . 52371 1 116 . 1 . 1 19 19 SER HA H 1 4.70278648 . . . . . . 1 . 19 SER HA . 52371 1 117 . 1 . 1 19 19 SER HB2 H 1 3.769728862 . . . . . . 1 . 19 SER HB# . 52371 1 118 . 1 . 1 19 19 SER HB3 H 1 3.769728862 . . . . . . 1 . 19 SER HB# . 52371 1 119 . 1 . 1 19 19 SER C C 13 173.7993157 . . . . . . 1 . 19 SER C . 52371 1 120 . 1 . 1 19 19 SER CA C 13 56.48120611 . . . . . . 1 . 19 SER CA . 52371 1 121 . 1 . 1 19 19 SER CB C 13 65.89021065 . . . . . . 1 . 19 SER CB . 52371 1 122 . 1 . 1 19 19 SER N N 15 115.706786 0.03188723975 . . . . . 1 . 19 SER N . 52371 1 123 . 1 . 1 20 20 GLY H H 1 10.14449307 0.002590339519 . . . . . 1 . 20 GLY H . 52371 1 124 . 1 . 1 20 20 GLY HA2 H 1 4.203624159 . . . . . . 1 . 20 GLY HA2 . 52371 1 125 . 1 . 1 20 20 GLY HA3 H 1 4.025549032 . . . . . . 1 . 20 GLY HA3 . 52371 1 126 . 1 . 1 20 20 GLY C C 13 175.1530449 0.002051190956 . . . . . 1 . 20 GLY C . 52371 1 127 . 1 . 1 20 20 GLY CA C 13 46.45723279 0.01977943842 . . . . . 1 . 20 GLY CA . 52371 1 128 . 1 . 1 20 20 GLY N N 15 114.3836481 0.0112616334 . . . . . 1 . 20 GLY N . 52371 1 129 . 1 . 1 21 21 CYS H H 1 8.769313277 0.00306458097 . . . . . 1 . 21 CYS H . 52371 1 130 . 1 . 1 21 21 CYS HA H 1 5.075831491 . . . . . . 1 . 21 CYS HA . 52371 1 131 . 1 . 1 21 21 CYS C C 13 174.5762024 . . . . . . 1 . 21 CYS C . 52371 1 132 . 1 . 1 21 21 CYS CA C 13 54.67461312 . . . . . . 1 . 21 CYS CA . 52371 1 133 . 1 . 1 21 21 CYS CB C 13 47.75399671 . . . . . . 1 . 21 CYS CB . 52371 1 134 . 1 . 1 21 21 CYS N N 15 117.5053004 0.01758700799 . . . . . 1 . 21 CYS N . 52371 1 135 . 1 . 1 22 22 GLY H H 1 8.613745536 0.0007716022731 . . . . . 1 . 22 GLY H . 52371 1 136 . 1 . 1 22 22 GLY HA2 H 1 3.783614654 . . . . . . 1 . 22 GLY HA2 . 52371 1 137 . 1 . 1 22 22 GLY HA3 H 1 4.024749862 . . . . . . 1 . 22 GLY HA3 . 52371 1 138 . 1 . 1 22 22 GLY C C 13 174.2956847 . . . . . . 1 . 22 GLY C . 52371 1 139 . 1 . 1 22 22 GLY CA C 13 46.26924993 . . . . . . 1 . 22 GLY CA . 52371 1 140 . 1 . 1 22 22 GLY N N 15 109.1093248 0.016653751 . . . . . 1 . 22 GLY N . 52371 1 141 . 1 . 1 23 23 SER H H 1 8.486030744 0.0006500159551 . . . . . 1 . 23 SER H . 52371 1 142 . 1 . 1 23 23 SER C C 13 172.0509016 . . . . . . 1 . 23 SER C . 52371 1 143 . 1 . 1 23 23 SER CA C 13 54.13589434 . . . . . . 1 . 23 SER CA . 52371 1 144 . 1 . 1 23 23 SER CB C 13 62.73160426 . . . . . . 1 . 23 SER CB . 52371 1 145 . 1 . 1 23 23 SER N N 15 115.0644932 0.02315220601 . . . . . 1 . 23 SER N . 52371 1 146 . 1 . 1 24 24 PRO HA H 1 4.679516289 . . . . . . 1 . 24 PRO HA . 52371 1 147 . 1 . 1 24 24 PRO C C 13 179.3252668 0.0008020984978 . . . . . 1 . 24 PRO C . 52371 1 148 . 1 . 1 24 24 PRO CA C 13 63.40669457 0.01761429844 . . . . . 1 . 24 PRO CA . 52371 1 149 . 1 . 1 24 24 PRO CB C 13 32.90751706 0.05279562869 . . . . . 1 . 24 PRO CB . 52371 1 150 . 1 . 1 25 25 ALA H H 1 8.886427638 0.0004973130102 . . . . . 1 . 25 ALA H . 52371 1 151 . 1 . 1 25 25 ALA HA H 1 4.490421193 . . . . . . 1 . 25 ALA HA . 52371 1 152 . 1 . 1 25 25 ALA HB1 H 1 1.585021807 . . . . . . 1 . 25 ALA HB# . 52371 1 153 . 1 . 1 25 25 ALA HB2 H 1 1.585021807 . . . . . . 1 . 25 ALA HB# . 52371 1 154 . 1 . 1 25 25 ALA HB3 H 1 1.585021807 . . . . . . 1 . 25 ALA HB# . 52371 1 155 . 1 . 1 25 25 ALA C C 13 178.5352515 . . . . . . 1 . 25 ALA C . 52371 1 156 . 1 . 1 25 25 ALA CA C 13 55.40872529 0.000050 . . . . . 1 . 25 ALA CA . 52371 1 157 . 1 . 1 25 25 ALA CB C 13 21.26755886 0.0000499997 . . . . . 1 . 25 ALA CB . 52371 1 158 . 1 . 1 25 25 ALA N N 15 121.2199305 0.04474856667 . . . . . 1 . 25 ALA N . 52371 1 159 . 1 . 1 26 26 CYS H H 1 8.23498747 0.001247353429 . . . . . 1 . 26 CYS H . 52371 1 160 . 1 . 1 26 26 CYS HA H 1 4.695683395 . . . . . . 1 . 26 CYS HA . 52371 1 161 . 1 . 1 26 26 CYS C C 13 175.5791766 0.01357741218 . . . . . 1 . 26 CYS C . 52371 1 162 . 1 . 1 26 26 CYS CA C 13 58.08363747 . . . . . . 1 . 26 CYS CA . 52371 1 163 . 1 . 1 26 26 CYS CB C 13 40.93015055 . . . . . . 1 . 26 CYS CB . 52371 1 164 . 1 . 1 26 26 CYS N N 15 109.7456244 0.02801124552 . . . . . 1 . 26 CYS N . 52371 1 165 . 1 . 1 27 27 GLY H H 1 8.305817048 0.001895215488 . . . . . 1 . 27 GLY H . 52371 1 166 . 1 . 1 27 27 GLY HA2 H 1 2.733763443 . . . . . . 1 . 27 GLY HA# . 52371 1 167 . 1 . 1 27 27 GLY HA3 H 1 2.733763443 . . . . . . 1 . 27 GLY HA# . 52371 1 168 . 1 . 1 27 27 GLY C C 13 170.3411105 0.0005178618384 . . . . . 1 . 27 GLY C . 52371 1 169 . 1 . 1 27 27 GLY CA C 13 45.71336995 . . . . . . 1 . 27 GLY CA . 52371 1 170 . 1 . 1 27 27 GLY N N 15 105.2009138 0.01168361316 . . . . . 1 . 27 GLY N . 52371 1 171 . 1 . 1 28 28 LYS H H 1 6.668664843 0.0005832456633 . . . . . 1 . 28 LYS H . 52371 1 172 . 1 . 1 28 28 LYS HA H 1 4.159563449 . . . . . . 1 . 28 LYS HA . 52371 1 173 . 1 . 1 28 28 LYS HB2 H 1 1.586061314 . . . . . . 1 . 28 LYS HB2 . 52371 1 174 . 1 . 1 28 28 LYS HB3 H 1 1.249718469 . . . . . . 1 . 28 LYS HB3 . 52371 1 175 . 1 . 1 28 28 LYS C C 13 173.2405118 0.008866767968 . . . . . 1 . 28 LYS C . 52371 1 176 . 1 . 1 28 28 LYS CA C 13 56.04464234 . . . . . . 1 . 28 LYS CA . 52371 1 177 . 1 . 1 28 28 LYS CB C 13 37.2951671 . . . . . . 1 . 28 LYS CB . 52371 1 178 . 1 . 1 28 28 LYS N N 15 116.5503445 0.01445802988 . . . . . 1 . 28 LYS N . 52371 1 179 . 1 . 1 29 29 ALA H H 1 9.011186294 0.001487265077 . . . . . 1 . 29 ALA H . 52371 1 180 . 1 . 1 29 29 ALA HA H 1 4.84222863 . . . . . . 1 . 29 ALA HA . 52371 1 181 . 1 . 1 29 29 ALA HB1 H 1 1.458385086 . . . . . . 1 . 29 ALA HB# . 52371 1 182 . 1 . 1 29 29 ALA HB2 H 1 1.458385086 . . . . . . 1 . 29 ALA HB# . 52371 1 183 . 1 . 1 29 29 ALA HB3 H 1 1.458385086 . . . . . . 1 . 29 ALA HB# . 52371 1 184 . 1 . 1 29 29 ALA C C 13 175.6517243 0.01099821051 . . . . . 1 . 29 ALA C . 52371 1 185 . 1 . 1 29 29 ALA CA C 13 49.70573675 . . . . . . 1 . 29 ALA CA . 52371 1 186 . 1 . 1 29 29 ALA CB C 13 20.13618696 . . . . . . 1 . 29 ALA CB . 52371 1 187 . 1 . 1 29 29 ALA N N 15 122.0368229 0.01155595672 . . . . . 1 . 29 ALA N . 52371 1 188 . 1 . 1 30 30 ALA H H 1 6.915582626 0.001707544649 . . . . . 1 . 30 ALA H . 52371 1 189 . 1 . 1 30 30 ALA HA H 1 5.061307971 . . . . . . 1 . 30 ALA HA . 52371 1 190 . 1 . 1 30 30 ALA HB1 H 1 1.593110898 . . . . . . 1 . 30 ALA HB# . 52371 1 191 . 1 . 1 30 30 ALA HB2 H 1 1.593110898 . . . . . . 1 . 30 ALA HB# . 52371 1 192 . 1 . 1 30 30 ALA HB3 H 1 1.593110898 . . . . . . 1 . 30 ALA HB# . 52371 1 193 . 1 . 1 30 30 ALA C C 13 176.919873 0.004564899765 . . . . . 1 . 30 ALA C . 52371 1 194 . 1 . 1 30 30 ALA CA C 13 52.1168169 . . . . . . 1 . 30 ALA CA . 52371 1 195 . 1 . 1 30 30 ALA CB C 13 22.21713702 . . . . . . 1 . 30 ALA CB . 52371 1 196 . 1 . 1 30 30 ALA N N 15 113.8946046 0.02488989561 . . . . . 1 . 30 ALA N . 52371 1 197 . 1 . 1 31 31 SER H H 1 9.258977616 0.002575052868 . . . . . 1 . 31 SER H . 52371 1 198 . 1 . 1 31 31 SER HA H 1 4.669378488 . . . . . . 1 . 31 SER HA . 52371 1 199 . 1 . 1 31 31 SER C C 13 175.7528213 0.0095388475 . . . . . 1 . 31 SER C . 52371 1 200 . 1 . 1 31 31 SER CA C 13 58.96341556 . . . . . . 1 . 31 SER CA . 52371 1 201 . 1 . 1 31 31 SER CB C 13 63.9078247 . . . . . . 1 . 31 SER CB . 52371 1 202 . 1 . 1 31 31 SER N N 15 114.3390359 0.01978873177 . . . . . 1 . 31 SER N . 52371 1 203 . 1 . 1 32 32 GLY H H 1 6.757774088 0.001167101906 . . . . . 1 . 32 GLY H . 52371 1 204 . 1 . 1 32 32 GLY HA2 H 1 3.947220733 . . . . . . 1 . 32 GLY HA2 . 52371 1 205 . 1 . 1 32 32 GLY HA3 H 1 4.171515893 . . . . . . 1 . 32 GLY HA3 . 52371 1 206 . 1 . 1 32 32 GLY C C 13 172.6803176 0.005126381172 . . . . . 1 . 32 GLY C . 52371 1 207 . 1 . 1 32 32 GLY CA C 13 43.72797445 . . . . . . 1 . 32 GLY CA . 52371 1 208 . 1 . 1 32 32 GLY N N 15 106.6032481 0.04504769082 . . . . . 1 . 32 GLY N . 52371 1 209 . 1 . 1 33 33 PHE H H 1 9.41072158 0.002588385935 . . . . . 1 . 33 PHE H . 52371 1 210 . 1 . 1 33 33 PHE HA H 1 5.168975997 . . . . . . 1 . 33 PHE HA . 52371 1 211 . 1 . 1 33 33 PHE C C 13 179.3243252 . . . . . . 1 . 33 PHE C . 52371 1 212 . 1 . 1 33 33 PHE CA C 13 55.04256264 . . . . . . 1 . 33 PHE CA . 52371 1 213 . 1 . 1 33 33 PHE CB C 13 37.35993027 . . . . . . 1 . 33 PHE CB . 52371 1 214 . 1 . 1 33 33 PHE N N 15 119.3253426 0.03047563899 . . . . . 1 . 33 PHE N . 52371 1 215 . 1 . 1 34 34 THR H H 1 8.812818732 0.002927919763 . . . . . 1 . 34 THR H . 52371 1 216 . 1 . 1 34 34 THR HA H 1 5.993971543 . . . . . . 1 . 34 THR HA . 52371 1 217 . 1 . 1 34 34 THR C C 13 172.5424044 . . . . . . 1 . 34 THR C . 52371 1 218 . 1 . 1 34 34 THR CA C 13 60.16596486 . . . . . . 1 . 34 THR CA . 52371 1 219 . 1 . 1 34 34 THR CB C 13 73.91188376 . . . . . . 1 . 34 THR CB . 52371 1 220 . 1 . 1 34 34 THR N N 15 115.7811041 0.04413068876 . . . . . 1 . 34 THR N . 52371 1 221 . 1 . 1 35 35 ALA H H 1 8.1369716 0.002734288925 . . . . . 1 . 35 ALA H . 52371 1 222 . 1 . 1 35 35 ALA HA H 1 5.657986172 . . . . . . 1 . 35 ALA HA . 52371 1 223 . 1 . 1 35 35 ALA HB1 H 1 1.404854889 . . . . . . 1 . 35 ALA HB# . 52371 1 224 . 1 . 1 35 35 ALA HB2 H 1 1.404854889 . . . . . . 1 . 35 ALA HB# . 52371 1 225 . 1 . 1 35 35 ALA HB3 H 1 1.404854889 . . . . . . 1 . 35 ALA HB# . 52371 1 226 . 1 . 1 35 35 ALA C C 13 176.0168433 . . . . . . 1 . 35 ALA C . 52371 1 227 . 1 . 1 35 35 ALA CA C 13 50.27289975 0.000049997 . . . . . 1 . 35 ALA CA . 52371 1 228 . 1 . 1 35 35 ALA CB C 13 25.52599616 0.0000499997 . . . . . 1 . 35 ALA CB . 52371 1 229 . 1 . 1 35 35 ALA N N 15 119.4573397 0.04705625326 . . . . . 1 . 35 ALA N . 52371 1 230 . 1 . 1 36 36 ALA H H 1 9.919794122 0.004216340845 . . . . . 1 . 36 ALA H . 52371 1 231 . 1 . 1 36 36 ALA HA H 1 5.089339328 . . . . . . 1 . 36 ALA HA . 52371 1 232 . 1 . 1 36 36 ALA HB1 H 1 1.075050863 . . . . . . 1 . 36 ALA HB# . 52371 1 233 . 1 . 1 36 36 ALA HB2 H 1 1.075050863 . . . . . . 1 . 36 ALA HB# . 52371 1 234 . 1 . 1 36 36 ALA HB3 H 1 1.075050863 . . . . . . 1 . 36 ALA HB# . 52371 1 235 . 1 . 1 36 36 ALA C C 13 175.9802855 0.02570391614 . . . . . 1 . 36 ALA C . 52371 1 236 . 1 . 1 36 36 ALA CA C 13 48.96671471 . . . . . . 1 . 36 ALA CA . 52371 1 237 . 1 . 1 36 36 ALA CB C 13 21.58237713 . . . . . . 1 . 36 ALA CB . 52371 1 238 . 1 . 1 36 36 ALA N N 15 122.4292805 0.02156740997 . . . . . 1 . 36 ALA N . 52371 1 239 . 1 . 1 37 37 ILE H H 1 7.863257024 0.002242869203 . . . . . 1 . 37 ILE H . 52371 1 240 . 1 . 1 37 37 ILE HA H 1 5.485363514 . . . . . . 1 . 37 ILE HA . 52371 1 241 . 1 . 1 37 37 ILE C C 13 174.5488666 0.01190803319 . . . . . 1 . 37 ILE C . 52371 1 242 . 1 . 1 37 37 ILE CA C 13 57.91066798 . . . . . . 1 . 37 ILE CA . 52371 1 243 . 1 . 1 37 37 ILE CB C 13 43.77703247 . . . . . . 1 . 37 ILE CB . 52371 1 244 . 1 . 1 37 37 ILE N N 15 119.9766029 0.03859190874 . . . . . 1 . 37 ILE N . 52371 1 245 . 1 . 1 38 38 ASN H H 1 8.530585313 0.001352629614 . . . . . 1 . 38 ASN H . 52371 1 246 . 1 . 1 38 38 ASN HA H 1 5.246300736 . . . . . . 1 . 38 ASN HA . 52371 1 247 . 1 . 1 38 38 ASN HB2 H 1 2.728925369 . . . . . . 1 . 38 ASN HB2 . 52371 1 248 . 1 . 1 38 38 ASN C C 13 176.0284646 0.00608337985 . . . . . 1 . 38 ASN C . 52371 1 249 . 1 . 1 38 38 ASN CA C 13 55.79386081 . . . . . . 1 . 38 ASN CA . 52371 1 250 . 1 . 1 38 38 ASN CB C 13 39.30099361 . . . . . . 1 . 38 ASN CB . 52371 1 251 . 1 . 1 38 38 ASN N N 15 125.2081533 0.03241602795 . . . . . 1 . 38 ASN N . 52371 1 252 . 1 . 1 39 39 GLN H H 1 8.105894188 0.002271143558 . . . . . 1 . 39 GLN H . 52371 1 253 . 1 . 1 39 39 GLN HA H 1 3.901014522 . . . . . . 1 . 39 GLN HA . 52371 1 254 . 1 . 1 39 39 GLN C C 13 175.2861552 0.009759432349 . . . . . 1 . 39 GLN C . 52371 1 255 . 1 . 1 39 39 GLN CA C 13 61.29769253 . . . . . . 1 . 39 GLN CA . 52371 1 256 . 1 . 1 39 39 GLN CB C 13 30.33282917 . . . . . . 1 . 39 GLN CB . 52371 1 257 . 1 . 1 39 39 GLN N N 15 125.1758378 0.02847022154 . . . . . 1 . 39 GLN N . 52371 1 258 . 1 . 1 40 40 LEU H H 1 9.586616375 0.002057814657 . . . . . 1 . 40 LEU H . 52371 1 259 . 1 . 1 40 40 LEU HA H 1 4.224672466 . . . . . . 1 . 40 LEU HA . 52371 1 260 . 1 . 1 40 40 LEU C C 13 174.5234448 0.01505290719 . . . . . 1 . 40 LEU C . 52371 1 261 . 1 . 1 40 40 LEU CA C 13 57.77797915 . . . . . . 1 . 40 LEU CA . 52371 1 262 . 1 . 1 40 40 LEU CB C 13 40.78961988 . . . . . . 1 . 40 LEU CB . 52371 1 263 . 1 . 1 40 40 LEU N N 15 116.83882 0.03272406304 . . . . . 1 . 40 LEU N . 52371 1 264 . 1 . 1 41 41 ALA H H 1 7.665915761 0.0006935603023 . . . . . 1 . 41 ALA H . 52371 1 265 . 1 . 1 41 41 ALA HA H 1 4.938434393 . . . . . . 1 . 41 ALA HA . 52371 1 266 . 1 . 1 41 41 ALA HB1 H 1 1.716049785 . . . . . . 1 . 41 ALA HB# . 52371 1 267 . 1 . 1 41 41 ALA HB2 H 1 1.716049785 . . . . . . 1 . 41 ALA HB# . 52371 1 268 . 1 . 1 41 41 ALA HB3 H 1 1.716049785 . . . . . . 1 . 41 ALA HB# . 52371 1 269 . 1 . 1 41 41 ALA C C 13 178.8472488 0.01305891171 . . . . . 1 . 41 ALA C . 52371 1 270 . 1 . 1 41 41 ALA CA C 13 51.35186885 . . . . . . 1 . 41 ALA CA . 52371 1 271 . 1 . 1 41 41 ALA CB C 13 21.16766462 . . . . . . 1 . 41 ALA CB . 52371 1 272 . 1 . 1 41 41 ALA N N 15 118.3500065 0.008160674768 . . . . . 1 . 41 ALA N . 52371 1 273 . 1 . 1 42 42 PHE H H 1 8.724106846 0.002034411234 . . . . . 1 . 42 PHE H . 52371 1 274 . 1 . 1 42 42 PHE HA H 1 3.888927422 0.005697779823 . . . . . 1 . 42 PHE HA . 52371 1 275 . 1 . 1 42 42 PHE HB2 H 1 2.903252591 . . . . . . 1 . 42 PHE HB2 . 52371 1 276 . 1 . 1 42 42 PHE HB3 H 1 3.187341213 . . . . . . 1 . 42 PHE HB3 . 52371 1 277 . 1 . 1 42 42 PHE C C 13 176.5998203 0.007703597191 . . . . . 1 . 42 PHE C . 52371 1 278 . 1 . 1 42 42 PHE CA C 13 60.71698482 . . . . . . 1 . 42 PHE CA . 52371 1 279 . 1 . 1 42 42 PHE CB C 13 41.09311919 . . . . . . 1 . 42 PHE CB . 52371 1 280 . 1 . 1 42 42 PHE N N 15 122.226709 0.0209645043 . . . . . 1 . 42 PHE N . 52371 1 281 . 1 . 1 43 43 GLY H H 1 6.852847191 0.002321318698 . . . . . 1 . 43 GLY H . 52371 1 282 . 1 . 1 43 43 GLY HA2 H 1 0.7837959345 . . . . . . 1 . 43 GLY HA2 . 52371 1 283 . 1 . 1 43 43 GLY HA3 H 1 3.767319648 . . . . . . 1 . 43 GLY HA3 . 52371 1 284 . 1 . 1 43 43 GLY C C 13 172.7560169 . . . . . . 1 . 43 GLY C . 52371 1 285 . 1 . 1 43 43 GLY CA C 13 43.35051784 . . . . . . 1 . 43 GLY CA . 52371 1 286 . 1 . 1 43 43 GLY N N 15 97.7363318 0.01581694428 . . . . . 1 . 43 GLY N . 52371 1 287 . 1 . 1 44 44 SER H H 1 7.179867382 0.001081886878 . . . . . 1 . 44 SER H . 52371 1 288 . 1 . 1 44 44 SER HA H 1 4.803480053 . . . . . . 1 . 44 SER HA . 52371 1 289 . 1 . 1 44 44 SER HB2 H 1 3.715158532 . . . . . . 1 . 44 SER HB# . 52371 1 290 . 1 . 1 44 44 SER HB3 H 1 3.715158532 . . . . . . 1 . 44 SER HB# . 52371 1 291 . 1 . 1 44 44 SER C C 13 172.510661 0.009159782611 . . . . . 1 . 44 SER C . 52371 1 292 . 1 . 1 44 44 SER CA C 13 55.116096 . . . . . . 1 . 44 SER CA . 52371 1 293 . 1 . 1 44 44 SER CB C 13 64.92292375 . . . . . . 1 . 44 SER CB . 52371 1 294 . 1 . 1 44 44 SER N N 15 112.3394539 0.03501189082 . . . . . 1 . 44 SER N . 52371 1 295 . 1 . 1 45 45 ALA H H 1 7.924580901 0.001690059032 . . . . . 1 . 45 ALA H . 52371 1 296 . 1 . 1 45 45 ALA HA H 1 5.011900961 . . . . . . 1 . 45 ALA HA . 52371 1 297 . 1 . 1 45 45 ALA HB1 H 1 1.474884441 . . . . . . 1 . 45 ALA HB# . 52371 1 298 . 1 . 1 45 45 ALA HB2 H 1 1.474884441 . . . . . . 1 . 45 ALA HB# . 52371 1 299 . 1 . 1 45 45 ALA HB3 H 1 1.474884441 . . . . . . 1 . 45 ALA HB# . 52371 1 300 . 1 . 1 45 45 ALA C C 13 175.3913276 . . . . . . 1 . 45 ALA C . 52371 1 301 . 1 . 1 45 45 ALA CA C 13 49.18426858 . . . . . . 1 . 45 ALA CA . 52371 1 302 . 1 . 1 45 45 ALA CB C 13 20.28484564 0.02484564108 . . . . . 1 . 45 ALA CB . 52371 1 303 . 1 . 1 45 45 ALA N N 15 119.9658561 0.02162932849 . . . . . 1 . 45 ALA N . 52371 1 304 . 1 . 1 46 46 PRO HA H 1 4.205506126 . . . . . . 1 . 46 PRO HA . 52371 1 305 . 1 . 1 46 46 PRO HB2 H 1 2.306795025 . . . . . . 1 . 46 PRO HB2 . 52371 1 306 . 1 . 1 46 46 PRO HB3 H 1 1.900081309 . . . . . . 1 . 46 PRO HB3 . 52371 1 307 . 1 . 1 46 46 PRO C C 13 176.990067 0.008600652697 . . . . . 1 . 46 PRO C . 52371 1 308 . 1 . 1 46 46 PRO CA C 13 64.61753062 . . . . . . 1 . 46 PRO CA . 52371 1 309 . 1 . 1 46 46 PRO CB C 13 31.42258794 0.02693285836 . . . . . 1 . 46 PRO CB . 52371 1 310 . 1 . 1 47 47 GLY H H 1 8.984755065 0.001841756626 . . . . . 1 . 47 GLY H . 52371 1 311 . 1 . 1 47 47 GLY HA2 H 1 3.68355139 . . . . . . 1 . 47 GLY HA2 . 52371 1 312 . 1 . 1 47 47 GLY HA3 H 1 4.202754798 . . . . . . 1 . 47 GLY HA3 . 52371 1 313 . 1 . 1 47 47 GLY CA C 13 45.61779667 0.000049997 . . . . . 1 . 47 GLY CA . 52371 1 314 . 1 . 1 47 47 GLY N N 15 113.2512383 0.009878333871 . . . . . 1 . 47 GLY N . 52371 1 315 . 1 . 1 48 48 LEU H H 1 7.829076937 0.001852297815 . . . . . 1 . 48 LEU H . 52371 1 316 . 1 . 1 48 48 LEU HA H 1 4.461121906 . . . . . . 1 . 48 LEU HA . 52371 1 317 . 1 . 1 48 48 LEU HB2 H 1 1.820039726 . . . . . . 1 . 48 LEU HB2 . 52371 1 318 . 1 . 1 48 48 LEU HB3 H 1 1.719648977 . . . . . . 1 . 48 LEU HB3 . 52371 1 319 . 1 . 1 48 48 LEU C C 13 177.007298 0 . . . . . 1 . 48 LEU C . 52371 1 320 . 1 . 1 48 48 LEU CA C 13 54.68759945 . . . . . . 1 . 48 LEU CA . 52371 1 321 . 1 . 1 48 48 LEU CB C 13 42.59126514 . . . . . . 1 . 48 LEU CB . 52371 1 322 . 1 . 1 48 48 LEU N N 15 118.3495613 0.01449426881 . . . . . 1 . 48 LEU N . 52371 1 323 . 1 . 1 49 49 GLY H H 1 7.764967504 0.0008636000252 . . . . . 1 . 49 GLY H . 52371 1 324 . 1 . 1 49 49 GLY HA2 H 1 4.468588004 . . . . . . 1 . 49 GLY HA2 . 52371 1 325 . 1 . 1 49 49 GLY HA3 H 1 3.916390817 . . . . . . 1 . 49 GLY HA3 . 52371 1 326 . 1 . 1 49 49 GLY C C 13 175.2928295 . . . . . . 1 . 49 GLY C . 52371 1 327 . 1 . 1 49 49 GLY CA C 13 44.18389598 . . . . . . 1 . 49 GLY CA . 52371 1 328 . 1 . 1 49 49 GLY N N 15 105.0445518 0.02897445555 . . . . . 1 . 49 GLY N . 52371 1 329 . 1 . 1 50 50 ALA H H 1 9.263569972 0.001127463392 . . . . . 1 . 50 ALA H . 52371 1 330 . 1 . 1 50 50 ALA C C 13 175.4325774 . . . . . . 1 . 50 ALA C . 52371 1 331 . 1 . 1 50 50 ALA CA C 13 54.21216275 . . . . . . 1 . 50 ALA CA . 52371 1 332 . 1 . 1 50 50 ALA CB C 13 21.61730584 0.0000499997 . . . . . 1 . 50 ALA CB . 52371 1 333 . 1 . 1 50 50 ALA N N 15 124.5655925 0.01471138106 . . . . . 1 . 50 ALA N . 52371 1 334 . 1 . 1 51 51 GLY H H 1 5.710322834 0.004495537247 . . . . . 1 . 51 GLY H . 52371 1 335 . 1 . 1 51 51 GLY HA2 H 1 5.002763316 . . . . . . 1 . 51 GLY HA2 . 52371 1 336 . 1 . 1 51 51 GLY HA3 H 1 2.953651881 . . . . . . 1 . 51 GLY HA3 . 52371 1 337 . 1 . 1 51 51 GLY CA C 13 43.90388335 0.0002823685356 . . . . . 1 . 51 GLY CA . 52371 1 338 . 1 . 1 51 51 GLY N N 15 106.1857329 0.0006335685635 . . . . . 1 . 51 GLY N . 52371 1 339 . 1 . 1 52 52 ASP H H 1 7.350579659 0.000784321864 . . . . . 1 . 52 ASP H . 52371 1 340 . 1 . 1 52 52 ASP HA H 1 4.532400412 . . . . . . 1 . 52 ASP HA . 52371 1 341 . 1 . 1 52 52 ASP C C 13 179.1849101 . . . . . . 1 . 52 ASP C . 52371 1 342 . 1 . 1 52 52 ASP CA C 13 57.72010044 . . . . . . 1 . 52 ASP CA . 52371 1 343 . 1 . 1 52 52 ASP CB C 13 44.61863066 . . . . . . 1 . 52 ASP CB . 52371 1 344 . 1 . 1 52 52 ASP N N 15 114.5151113 0.02046230291 . . . . . 1 . 52 ASP N . 52371 1 345 . 1 . 1 53 53 ALA H H 1 8.127167121 0.004154150595 . . . . . 1 . 53 ALA H . 52371 1 346 . 1 . 1 53 53 ALA HA H 1 4.211195825 . . . . . . 1 . 53 ALA HA . 52371 1 347 . 1 . 1 53 53 ALA HB1 H 1 1.644832094 . . . . . . 1 . 53 ALA HB# . 52371 1 348 . 1 . 1 53 53 ALA HB2 H 1 1.644832094 . . . . . . 1 . 53 ALA HB# . 52371 1 349 . 1 . 1 53 53 ALA HB3 H 1 1.644832094 . . . . . . 1 . 53 ALA HB# . 52371 1 350 . 1 . 1 53 53 ALA C C 13 177.0833749 0.008983085601 . . . . . 1 . 53 ALA C . 52371 1 351 . 1 . 1 53 53 ALA CA C 13 54.55261388 . . . . . . 1 . 53 ALA CA . 52371 1 352 . 1 . 1 53 53 ALA CB C 13 21.43006939 . . . . . . 1 . 53 ALA CB . 52371 1 353 . 1 . 1 53 53 ALA N N 15 120.1773912 0.02504240475 . . . . . 1 . 53 ALA N . 52371 1 354 . 1 . 1 54 54 CYS H H 1 7.40263988 0.0008662491882 . . . . . 1 . 54 CYS H . 52371 1 355 . 1 . 1 54 54 CYS HA H 1 4.016255752 . . . . . . 1 . 54 CYS HA . 52371 1 356 . 1 . 1 54 54 CYS C C 13 176.8027461 . . . . . . 1 . 54 CYS C . 52371 1 357 . 1 . 1 54 54 CYS CA C 13 59.47754274 . . . . . . 1 . 54 CYS CA . 52371 1 358 . 1 . 1 54 54 CYS CB C 13 41.7650205 . . . . . . 1 . 54 CYS CB . 52371 1 359 . 1 . 1 54 54 CYS N N 15 111.4377608 0.017373837 . . . . . 1 . 54 CYS N . 52371 1 360 . 1 . 1 55 55 GLY H H 1 9.721031629 0.001936373812 . . . . . 1 . 55 GLY H . 52371 1 361 . 1 . 1 55 55 GLY HA2 H 1 2.998869787 . . . . . . 1 . 55 GLY HA2 . 52371 1 362 . 1 . 1 55 55 GLY HA3 H 1 4.169859872 . . . . . . 1 . 55 GLY HA3 . 52371 1 363 . 1 . 1 55 55 GLY C C 13 170.5278953 . . . . . . 1 . 55 GLY C . 52371 1 364 . 1 . 1 55 55 GLY CA C 13 45.32075197 . . . . . . 1 . 55 GLY CA . 52371 1 365 . 1 . 1 55 55 GLY N N 15 115.8317884 0.01921253754 . . . . . 1 . 55 GLY N . 52371 1 366 . 1 . 1 56 56 ARG H H 1 7.351659288 0.001586423097 . . . . . 1 . 56 ARG H . 52371 1 367 . 1 . 1 56 56 ARG C C 13 174.7540942 . . . . . . 1 . 56 ARG C . 52371 1 368 . 1 . 1 56 56 ARG CA C 13 57.26845083 . . . . . . 1 . 56 ARG CA . 52371 1 369 . 1 . 1 56 56 ARG CB C 13 30.60840858 . . . . . . 1 . 56 ARG CB . 52371 1 370 . 1 . 1 56 56 ARG N N 15 115.6424624 0.04199404727 . . . . . 1 . 56 ARG N . 52371 1 371 . 1 . 1 57 57 CYS H H 1 8.136573406 0.002963221679 . . . . . 1 . 57 CYS H . 52371 1 372 . 1 . 1 57 57 CYS HA H 1 5.690202254 . . . . . . 1 . 57 CYS HA . 52371 1 373 . 1 . 1 57 57 CYS HB2 H 1 2.807532041 . . . . . . 1 . 57 CYS HB2 . 52371 1 374 . 1 . 1 57 57 CYS HB3 H 1 2.487497788 . . . . . . 1 . 57 CYS HB3 . 52371 1 375 . 1 . 1 57 57 CYS C C 13 173.2620364 . . . . . . 1 . 57 CYS C . 52371 1 376 . 1 . 1 57 57 CYS CA C 13 56.88332498 . . . . . . 1 . 57 CYS CA . 52371 1 377 . 1 . 1 57 57 CYS CB C 13 47.97781804 . . . . . . 1 . 57 CYS CB . 52371 1 378 . 1 . 1 57 57 CYS N N 15 116.4857493 0.02040436571 . . . . . 1 . 57 CYS N . 52371 1 379 . 1 . 1 58 58 PHE H H 1 8.730520926 0.002163764836 . . . . . 1 . 58 PHE H . 52371 1 380 . 1 . 1 58 58 PHE HA H 1 5.079991189 . . . . . . 1 . 58 PHE HA . 52371 1 381 . 1 . 1 58 58 PHE C C 13 173.3329895 0.01481465899 . . . . . 1 . 58 PHE C . 52371 1 382 . 1 . 1 58 58 PHE CA C 13 56.29251866 . . . . . . 1 . 58 PHE CA . 52371 1 383 . 1 . 1 58 58 PHE CB C 13 44.82381178 0.01276552629 . . . . . 1 . 58 PHE CB . 52371 1 384 . 1 . 1 58 58 PHE N N 15 116.6714081 0.01192118461 . . . . . 1 . 58 PHE N . 52371 1 385 . 1 . 1 59 59 ALA H H 1 9.486036457 0.001190789476 . . . . . 1 . 59 ALA H . 52371 1 386 . 1 . 1 59 59 ALA HA H 1 5.215950657 . . . . . . 1 . 59 ALA HA . 52371 1 387 . 1 . 1 59 59 ALA HB1 H 1 1.245463891 . . . . . . 1 . 59 ALA HB# . 52371 1 388 . 1 . 1 59 59 ALA HB2 H 1 1.245463891 . . . . . . 1 . 59 ALA HB# . 52371 1 389 . 1 . 1 59 59 ALA HB3 H 1 1.245463891 . . . . . . 1 . 59 ALA HB# . 52371 1 390 . 1 . 1 59 59 ALA C C 13 177.2735081 0.001014390336 . . . . . 1 . 59 ALA C . 52371 1 391 . 1 . 1 59 59 ALA CA C 13 50.70020644 0.007908283043 . . . . . 1 . 59 ALA CA . 52371 1 392 . 1 . 1 59 59 ALA CB C 13 19.19210271 . . . . . . 1 . 59 ALA CB . 52371 1 393 . 1 . 1 59 59 ALA N N 15 126.1678688 0.01536174628 . . . . . 1 . 59 ALA N . 52371 1 394 . 1 . 1 60 60 LEU H H 1 9.484571559 0.001343655222 . . . . . 1 . 60 LEU H . 52371 1 395 . 1 . 1 60 60 LEU HA H 1 4.815810974 . . . . . . 1 . 60 LEU HA . 52371 1 396 . 1 . 1 60 60 LEU C C 13 175.1471379 . . . . . . 1 . 60 LEU C . 52371 1 397 . 1 . 1 60 60 LEU CA C 13 53.58214303 . . . . . . 1 . 60 LEU CA . 52371 1 398 . 1 . 1 60 60 LEU CB C 13 42.26856906 . . . . . . 1 . 60 LEU CB . 52371 1 399 . 1 . 1 60 60 LEU N N 15 126.6591566 0.02893248487 . . . . . 1 . 60 LEU N . 52371 1 400 . 1 . 1 61 61 THR H H 1 8.688351976 0.000767947076 . . . . . 1 . 61 THR H . 52371 1 401 . 1 . 1 61 61 THR HA H 1 4.611664978 . . . . . . 1 . 61 THR HA . 52371 1 402 . 1 . 1 61 61 THR HB H 1 3.872726001 . . . . . . 1 . 61 THR HB . 52371 1 403 . 1 . 1 61 61 THR HG21 H 1 1.021946358 . . . . . . 1 . 61 THR HG2# . 52371 1 404 . 1 . 1 61 61 THR HG22 H 1 1.021946358 . . . . . . 1 . 61 THR HG2# . 52371 1 405 . 1 . 1 61 61 THR HG23 H 1 1.021946358 . . . . . . 1 . 61 THR HG2# . 52371 1 406 . 1 . 1 61 61 THR C C 13 172.4952888 . . . . . . 1 . 61 THR C . 52371 1 407 . 1 . 1 61 61 THR CA C 13 61.97909324 . . . . . . 1 . 61 THR CA . 52371 1 408 . 1 . 1 61 61 THR CB C 13 71.88010189 . . . . . . 1 . 61 THR CB . 52371 1 409 . 1 . 1 61 61 THR N N 15 117.9911517 0.01155230083 . . . . . 1 . 61 THR N . 52371 1 410 . 1 . 1 62 62 GLY H H 1 8.705631065 0.002036913705 . . . . . 1 . 62 GLY H . 52371 1 411 . 1 . 1 62 62 GLY HA2 H 1 4.256711122 . . . . . . 1 . 62 GLY HA2 . 52371 1 412 . 1 . 1 62 62 GLY HA3 H 1 3.007027845 . . . . . . 1 . 62 GLY HA3 . 52371 1 413 . 1 . 1 62 62 GLY C C 13 172.1992329 . . . . . . 1 . 62 GLY C . 52371 1 414 . 1 . 1 62 62 GLY CA C 13 44.13242856 0.0000499997 . . . . . 1 . 62 GLY CA . 52371 1 415 . 1 . 1 62 62 GLY N N 15 116.6680595 0.001204272799 . . . . . 1 . 62 GLY N . 52371 1 416 . 1 . 1 63 63 ASN H H 1 9.298714381 0.00325143136 . . . . . 1 . 63 ASN H . 52371 1 417 . 1 . 1 63 63 ASN HA H 1 3.415184204 . . . . . . 1 . 63 ASN HA . 52371 1 418 . 1 . 1 63 63 ASN HB2 H 1 2.855579227 . . . . . . 1 . 63 ASN HB2 . 52371 1 419 . 1 . 1 63 63 ASN HB3 H 1 2.291038998 . . . . . . 1 . 63 ASN HB3 . 52371 1 420 . 1 . 1 63 63 ASN C C 13 173.5217338 . . . . . . 1 . 63 ASN C . 52371 1 421 . 1 . 1 63 63 ASN CA C 13 52.1783979 . . . . . . 1 . 63 ASN CA . 52371 1 422 . 1 . 1 63 63 ASN CB C 13 39.41921152 . . . . . . 1 . 63 ASN CB . 52371 1 423 . 1 . 1 63 63 ASN N N 15 118.6403122 0.01716995382 . . . . . 1 . 63 ASN N . 52371 1 424 . 1 . 1 64 64 HIS H H 1 7.570078374 0.0007048310512 . . . . . 1 . 64 HIS H . 52371 1 425 . 1 . 1 64 64 HIS HA H 1 4.536553631 . . . . . . 1 . 64 HIS HA . 52371 1 426 . 1 . 1 64 64 HIS HB2 H 1 3.220150295 . . . . . . 1 . 64 HIS HB2 . 52371 1 427 . 1 . 1 64 64 HIS HB3 H 1 3.112791885 . . . . . . 1 . 64 HIS HB3 . 52371 1 428 . 1 . 1 64 64 HIS C C 13 171.5732765 . . . . . . 1 . 64 HIS C . 52371 1 429 . 1 . 1 64 64 HIS CA C 13 56.53658018 . . . . . . 1 . 64 HIS CA . 52371 1 430 . 1 . 1 64 64 HIS CB C 13 30.55014212 . . . . . . 1 . 64 HIS CB . 52371 1 431 . 1 . 1 64 64 HIS N N 15 116.0740885 0.01697044788 . . . . . 1 . 64 HIS N . 52371 1 432 . 1 . 1 65 65 ASP H H 1 9.639928485 0.001714181613 . . . . . 1 . 65 ASP H . 52371 1 433 . 1 . 1 65 65 ASP HA H 1 5.709998393 0.002148584811 . . . . . 1 . 65 ASP HA . 52371 1 434 . 1 . 1 65 65 ASP HB2 H 1 2.466367649 . . . . . . 1 . 65 ASP HB2 . 52371 1 435 . 1 . 1 65 65 ASP HB3 H 1 3.497842698 . . . . . . 1 . 65 ASP HB3 . 52371 1 436 . 1 . 1 65 65 ASP C C 13 175.5651911 . . . . . . 1 . 65 ASP C . 52371 1 437 . 1 . 1 65 65 ASP CA C 13 50.25122235 . . . . . . 1 . 65 ASP CA . 52371 1 438 . 1 . 1 65 65 ASP CB C 13 43.19078824 0.0007890307896 . . . . . 1 . 65 ASP CB . 52371 1 439 . 1 . 1 65 65 ASP N N 15 125.8678902 0.02208052308 . . . . . 1 . 65 ASP N . 52371 1 440 . 1 . 1 66 66 PRO HA H 1 4.382298932 . . . . . . 1 . 66 PRO HA . 52371 1 441 . 1 . 1 66 66 PRO HB2 H 1 1.879571223 . . . . . . 1 . 66 PRO HB2 . 52371 1 442 . 1 . 1 66 66 PRO C C 13 177.7336056 0.00804149177 . . . . . 1 . 66 PRO C . 52371 1 443 . 1 . 1 66 66 PRO CA C 13 63.71209079 . . . . . . 1 . 66 PRO CA . 52371 1 444 . 1 . 1 66 66 PRO CB C 13 32.12872402 0.02048179227 . . . . . 1 . 66 PRO CB . 52371 1 445 . 1 . 1 67 67 TYR H H 1 8.674929985 0.001135928713 . . . . . 1 . 67 TYR H . 52371 1 446 . 1 . 1 67 67 TYR HA H 1 4.77386603 . . . . . . 1 . 67 TYR HA . 52371 1 447 . 1 . 1 67 67 TYR HB2 H 1 3.307910016 . . . . . . 1 . 67 TYR HB2 . 52371 1 448 . 1 . 1 67 67 TYR HB3 H 1 3.221377264 . . . . . . 1 . 67 TYR HB3 . 52371 1 449 . 1 . 1 67 67 TYR C C 13 176.6107847 0.008714392656 . . . . . 1 . 67 TYR C . 52371 1 450 . 1 . 1 67 67 TYR CA C 13 57.77250202 . . . . . . 1 . 67 TYR CA . 52371 1 451 . 1 . 1 67 67 TYR CB C 13 38.11813835 . . . . . . 1 . 67 TYR CB . 52371 1 452 . 1 . 1 67 67 TYR N N 15 118.4584099 0.0361339379 . . . . . 1 . 67 TYR N . 52371 1 453 . 1 . 1 68 68 SER H H 1 7.29931026 0.0008193663229 . . . . . 1 . 68 SER H . 52371 1 454 . 1 . 1 68 68 SER HA H 1 5.005689148 . . . . . . 1 . 68 SER HA . 52371 1 455 . 1 . 1 68 68 SER HB2 H 1 4.067048222 . . . . . . 1 . 68 SER HB2 . 52371 1 456 . 1 . 1 68 68 SER C C 13 172.8398942 . . . . . . 1 . 68 SER C . 52371 1 457 . 1 . 1 68 68 SER CA C 13 54.78095565 0 . . . . . 1 . 68 SER CA . 52371 1 458 . 1 . 1 68 68 SER CB C 13 63.54942445 . . . . . . 1 . 68 SER CB . 52371 1 459 . 1 . 1 68 68 SER N N 15 114.1202629 0.01341747073 . . . . . 1 . 68 SER N . 52371 1 460 . 1 . 1 69 69 PRO HA H 1 4.434584395 . . . . . . 1 . 69 PRO HA . 52371 1 461 . 1 . 1 69 69 PRO HB2 H 1 2.543463531 . . . . . . 1 . 69 PRO HB2 . 52371 1 462 . 1 . 1 69 69 PRO HB3 H 1 2.122540719 . . . . . . 1 . 69 PRO HB3 . 52371 1 463 . 1 . 1 69 69 PRO C C 13 176.6343007 0.01818109719 . . . . . 1 . 69 PRO C . 52371 1 464 . 1 . 1 69 69 PRO CA C 13 65.00745811 0.03416025862 . . . . . 1 . 69 PRO CA . 52371 1 465 . 1 . 1 69 69 PRO CB C 13 32.51849405 . . . . . . 1 . 69 PRO CB . 52371 1 466 . 1 . 1 70 70 ASN H H 1 8.693767455 0.001049374411 . . . . . 1 . 70 ASN H . 52371 1 467 . 1 . 1 70 70 ASN HA H 1 4.873350084 . . . . . . 1 . 70 ASN HA . 52371 1 468 . 1 . 1 70 70 ASN HB2 H 1 3.004928351 . . . . . . 1 . 70 ASN HB2 . 52371 1 469 . 1 . 1 70 70 ASN HB3 H 1 2.857797845 . . . . . . 1 . 70 ASN HB3 . 52371 1 470 . 1 . 1 70 70 ASN C C 13 175.0497845 0.01429124872 . . . . . 1 . 70 ASN C . 52371 1 471 . 1 . 1 70 70 ASN CA C 13 53.01407099 . . . . . . 1 . 70 ASN CA . 52371 1 472 . 1 . 1 70 70 ASN CB C 13 38.29425424 . . . . . . 1 . 70 ASN CB . 52371 1 473 . 1 . 1 70 70 ASN N N 15 113.832976 0.02123402555 . . . . . 1 . 70 ASN N . 52371 1 474 . 1 . 1 71 71 TYR H H 1 8.090107261 0.001287515604 . . . . . 1 . 71 TYR H . 52371 1 475 . 1 . 1 71 71 TYR HA H 1 4.647123561 . . . . . . 1 . 71 TYR HA . 52371 1 476 . 1 . 1 71 71 TYR HB2 H 1 3.328936721 . . . . . . 1 . 71 TYR HB2 . 52371 1 477 . 1 . 1 71 71 TYR C C 13 177.1501864 0.0173200842 . . . . . 1 . 71 TYR C . 52371 1 478 . 1 . 1 71 71 TYR CA C 13 59.12586189 . . . . . . 1 . 71 TYR CA . 52371 1 479 . 1 . 1 71 71 TYR CB C 13 38.07040364 . . . . . . 1 . 71 TYR CB . 52371 1 480 . 1 . 1 71 71 TYR N N 15 122.3707358 0.01435146757 . . . . . 1 . 71 TYR N . 52371 1 481 . 1 . 1 72 72 THR H H 1 8.443172682 0.001431242175 . . . . . 1 . 72 THR H . 52371 1 482 . 1 . 1 72 72 THR C C 13 173.3937007 . . . . . . 1 . 72 THR C . 52371 1 483 . 1 . 1 72 72 THR CA C 13 61.36130911 . . . . . . 1 . 72 THR CA . 52371 1 484 . 1 . 1 72 72 THR CB C 13 69.01528745 . . . . . . 1 . 72 THR CB . 52371 1 485 . 1 . 1 72 72 THR N N 15 119.0781433 0.02148489869 . . . . . 1 . 72 THR N . 52371 1 486 . 1 . 1 74 74 PRO HA H 1 4.324027922 . . . . . . 1 . 74 PRO HA . 52371 1 487 . 1 . 1 74 74 PRO HB2 H 1 2.386940684 . . . . . . 1 . 74 PRO HB2 . 52371 1 488 . 1 . 1 74 74 PRO HB3 H 1 2.151125267 . . . . . . 1 . 74 PRO HB3 . 52371 1 489 . 1 . 1 74 74 PRO C C 13 176.8858775 . . . . . . 1 . 74 PRO C . 52371 1 490 . 1 . 1 74 74 PRO CA C 13 61.87032447 0.02795297941 . . . . . 1 . 74 PRO CA . 52371 1 491 . 1 . 1 74 74 PRO CB C 13 35.23151371 0.01206818741 . . . . . 1 . 74 PRO CB . 52371 1 492 . 1 . 1 75 75 PHE H H 1 8.911374737 0.0009624775915 . . . . . 1 . 75 PHE H . 52371 1 493 . 1 . 1 75 75 PHE HA H 1 4.486187931 . . . . . . 1 . 75 PHE HA . 52371 1 494 . 1 . 1 75 75 PHE C C 13 174.4872294 0 . . . . . 1 . 75 PHE C . 52371 1 495 . 1 . 1 75 75 PHE CA C 13 58.18713464 0.000050002 . . . . . 1 . 75 PHE CA . 52371 1 496 . 1 . 1 75 75 PHE CB C 13 39.07359142 0.0000499997 . . . . . 1 . 75 PHE CB . 52371 1 497 . 1 . 1 75 75 PHE N N 15 121.4867156 0.01225189139 . . . . . 1 . 75 PHE N . 52371 1 498 . 1 . 1 76 76 GLY H H 1 8.723636813 0.002200010407 . . . . . 1 . 76 GLY H . 52371 1 499 . 1 . 1 76 76 GLY HA2 H 1 4.174045275 . . . . . . 1 . 76 GLY HA2 . 52371 1 500 . 1 . 1 76 76 GLY HA3 H 1 3.725272508 . . . . . . 1 . 76 GLY HA3 . 52371 1 501 . 1 . 1 76 76 GLY CA C 13 43.80670053 . . . . . . 1 . 76 GLY CA . 52371 1 502 . 1 . 1 76 76 GLY N N 15 108.9543586 0.01074627286 . . . . . 1 . 76 GLY N . 52371 1 503 . 1 . 1 77 77 GLN H H 1 7.740221793 0.001667091566 . . . . . 1 . 77 GLN H . 52371 1 504 . 1 . 1 77 77 GLN HA H 1 4.48065769 . . . . . . 1 . 77 GLN HA . 52371 1 505 . 1 . 1 77 77 GLN HB2 H 1 2.091936928 . . . . . . 1 . 77 GLN HB2 . 52371 1 506 . 1 . 1 77 77 GLN HB3 H 1 1.658599809 . . . . . . 1 . 77 GLN HB3 . 52371 1 507 . 1 . 1 77 77 GLN C C 13 177.1806044 . . . . . . 1 . 77 GLN C . 52371 1 508 . 1 . 1 77 77 GLN CA C 13 54.68013503 . . . . . . 1 . 77 GLN CA . 52371 1 509 . 1 . 1 77 77 GLN CB C 13 30.7254173 . . . . . . 1 . 77 GLN CB . 52371 1 510 . 1 . 1 77 77 GLN N N 15 118.9400113 0.01160394729 . . . . . 1 . 77 GLN N . 52371 1 511 . 1 . 1 78 78 THR H H 1 8.562335494 0.001035959571 . . . . . 1 . 78 THR H . 52371 1 512 . 1 . 1 78 78 THR HA H 1 5.062687501 . . . . . . 1 . 78 THR HA . 52371 1 513 . 1 . 1 78 78 THR HB H 1 3.963463701 . . . . . . 1 . 78 THR HB . 52371 1 514 . 1 . 1 78 78 THR C C 13 175.5878423 . . . . . . 1 . 78 THR C . 52371 1 515 . 1 . 1 78 78 THR CA C 13 64.03739576 . . . . . . 1 . 78 THR CA . 52371 1 516 . 1 . 1 78 78 THR CB C 13 69.96782081 . . . . . . 1 . 78 THR CB . 52371 1 517 . 1 . 1 78 78 THR N N 15 120.9735357 0.01884134087 . . . . . 1 . 78 THR N . 52371 1 518 . 1 . 1 79 79 ILE H H 1 7.778303476 0.0000381 . . . . . 1 . 79 ILE H . 52371 1 519 . 1 . 1 79 79 ILE HA H 1 5.081031218 . . . . . . 1 . 79 ILE HA . 52371 1 520 . 1 . 1 79 79 ILE HB H 1 1.938949741 . . . . . . 1 . 79 ILE HB . 52371 1 521 . 1 . 1 79 79 ILE C C 13 173.6187186 . . . . . . 1 . 79 ILE C . 52371 1 522 . 1 . 1 79 79 ILE CA C 13 58.68112893 . . . . . . 1 . 79 ILE CA . 52371 1 523 . 1 . 1 79 79 ILE CB C 13 42.29765399 . . . . . . 1 . 79 ILE CB . 52371 1 524 . 1 . 1 79 79 ILE N N 15 119.0042161 0.0004088182779 . . . . . 1 . 79 ILE N . 52371 1 525 . 1 . 1 80 80 VAL H H 1 8.904009042 0.0001956220083 . . . . . 1 . 80 VAL H . 52371 1 526 . 1 . 1 80 80 VAL HA H 1 5.135094334 . . . . . . 1 . 80 VAL HA . 52371 1 527 . 1 . 1 80 80 VAL HB H 1 2.081946882 . . . . . . 1 . 80 VAL HB . 52371 1 528 . 1 . 1 80 80 VAL C C 13 176.9538067 . . . . . . 1 . 80 VAL C . 52371 1 529 . 1 . 1 80 80 VAL CA C 13 60.98862175 . . . . . . 1 . 80 VAL CA . 52371 1 530 . 1 . 1 80 80 VAL CB C 13 32.67148196 . . . . . . 1 . 80 VAL CB . 52371 1 531 . 1 . 1 80 80 VAL N N 15 122.1381884 0.02116268534 . . . . . 1 . 80 VAL N . 52371 1 532 . 1 . 1 81 81 VAL H H 1 8.9244972 0.00127743995 . . . . . 1 . 81 VAL H . 52371 1 533 . 1 . 1 81 81 VAL HA H 1 5.075696066 . . . . . . 1 . 81 VAL HA . 52371 1 534 . 1 . 1 81 81 VAL C C 13 173.5268718 . . . . . . 1 . 81 VAL C . 52371 1 535 . 1 . 1 81 81 VAL CA C 13 57.86620702 . . . . . . 1 . 81 VAL CA . 52371 1 536 . 1 . 1 81 81 VAL CB C 13 34.73004413 . . . . . . 1 . 81 VAL CB . 52371 1 537 . 1 . 1 81 81 VAL N N 15 116.8709864 0.01637275304 . . . . . 1 . 81 VAL N . 52371 1 538 . 1 . 1 82 82 LYS H H 1 8.132816722 0.003588668135 . . . . . 1 . 82 LYS H . 52371 1 539 . 1 . 1 82 82 LYS HA H 1 4.748444306 . . . . . . 1 . 82 LYS HA . 52371 1 540 . 1 . 1 82 82 LYS C C 13 177.1330163 0.01224485944 . . . . . 1 . 82 LYS C . 52371 1 541 . 1 . 1 82 82 LYS CA C 13 54.30969924 . . . . . . 1 . 82 LYS CA . 52371 1 542 . 1 . 1 82 82 LYS CB C 13 33.29683664 . . . . . . 1 . 82 LYS CB . 52371 1 543 . 1 . 1 82 82 LYS N N 15 122.305631 0.02049631742 . . . . . 1 . 82 LYS N . 52371 1 544 . 1 . 1 83 83 VAL H H 1 9.123314547 0.001339760854 . . . . . 1 . 83 VAL H . 52371 1 545 . 1 . 1 83 83 VAL HA H 1 4.621066305 . . . . . . 1 . 83 VAL HA . 52371 1 546 . 1 . 1 83 83 VAL C C 13 176.3896415 0.005156622766 . . . . . 1 . 83 VAL C . 52371 1 547 . 1 . 1 83 83 VAL CA C 13 63.7859041 . . . . . . 1 . 83 VAL CA . 52371 1 548 . 1 . 1 83 83 VAL CB C 13 30.73674003 . . . . . . 1 . 83 VAL CB . 52371 1 549 . 1 . 1 83 83 VAL N N 15 127.4986296 0.0112330398 . . . . . 1 . 83 VAL N . 52371 1 550 . 1 . 1 84 84 THR H H 1 8.34262374 0.001807725585 . . . . . 1 . 84 THR H . 52371 1 551 . 1 . 1 84 84 THR HA H 1 4.903031401 . . . . . . 1 . 84 THR HA . 52371 1 552 . 1 . 1 84 84 THR C C 13 175.0177325 . . . . . . 1 . 84 THR C . 52371 1 553 . 1 . 1 84 84 THR CA C 13 61.04202373 0.000050002 . . . . . 1 . 84 THR CA . 52371 1 554 . 1 . 1 84 84 THR CB C 13 71.40431242 . . . . . . 1 . 84 THR CB . 52371 1 555 . 1 . 1 84 84 THR N N 15 115.3329407 0.03214967601 . . . . . 1 . 84 THR N . 52371 1 556 . 1 . 1 85 85 ASP H H 1 7.956821049 0.001168948137 . . . . . 1 . 85 ASP H . 52371 1 557 . 1 . 1 85 85 ASP HA H 1 5.520179668 . . . . . . 1 . 85 ASP HA . 52371 1 558 . 1 . 1 85 85 ASP C C 13 171.1844249 0 . . . . . 1 . 85 ASP C . 52371 1 559 . 1 . 1 85 85 ASP CA C 13 52.41553491 . . . . . . 1 . 85 ASP CA . 52371 1 560 . 1 . 1 85 85 ASP CB C 13 46.8860902 . . . . . . 1 . 85 ASP CB . 52371 1 561 . 1 . 1 85 85 ASP N N 15 120.2106907 0.03197840735 . . . . . 1 . 85 ASP N . 52371 1 562 . 1 . 1 86 86 LEU H H 1 7.990425798 0.0009820367431 . . . . . 1 . 86 LEU H . 52371 1 563 . 1 . 1 86 86 LEU HA H 1 3.953877211 . . . . . . 1 . 86 LEU HA . 52371 1 564 . 1 . 1 86 86 LEU C C 13 173.6473549 . . . . . . 1 . 86 LEU C . 52371 1 565 . 1 . 1 86 86 LEU CA C 13 53.2696857 . . . . . . 1 . 86 LEU CA . 52371 1 566 . 1 . 1 86 86 LEU CB C 13 44.84109384 . . . . . . 1 . 86 LEU CB . 52371 1 567 . 1 . 1 86 86 LEU N N 15 124.3845836 0.0398061626 . . . . . 1 . 86 LEU N . 52371 1 568 . 1 . 1 87 87 CYS H H 1 8.207216449 0.001197039866 . . . . . 1 . 87 CYS H . 52371 1 569 . 1 . 1 87 87 CYS HA H 1 5.013067953 0.001071510254 . . . . . 1 . 87 CYS HA . 52371 1 570 . 1 . 1 87 87 CYS HB2 H 1 3.082572743 . . . . . . 1 . 87 CYS HB2 . 52371 1 571 . 1 . 1 87 87 CYS HB3 H 1 2.441444514 . . . . . . 1 . 87 CYS HB3 . 52371 1 572 . 1 . 1 87 87 CYS C C 13 171.9101208 . . . . . . 1 . 87 CYS C . 52371 1 573 . 1 . 1 87 87 CYS CA C 13 52.49154951 . . . . . . 1 . 87 CYS CA . 52371 1 574 . 1 . 1 87 87 CYS CB C 13 47.62810363 0.00268187436 . . . . . 1 . 87 CYS CB . 52371 1 575 . 1 . 1 87 87 CYS N N 15 129.5772831 0.01956715348 . . . . . 1 . 87 CYS N . 52371 1 576 . 1 . 1 88 88 PRO HA H 1 4.589876512 . . . . . . 1 . 88 PRO HA . 52371 1 577 . 1 . 1 88 88 PRO HB2 H 1 2.223441399 . . . . . . 1 . 88 PRO HB2 . 52371 1 578 . 1 . 1 88 88 PRO HB3 H 1 1.954056233 . . . . . . 1 . 88 PRO HB3 . 52371 1 579 . 1 . 1 88 88 PRO C C 13 174.9354063 0 . . . . . 1 . 88 PRO C . 52371 1 580 . 1 . 1 88 88 PRO CA C 13 63.04931632 0.01619906022 . . . . . 1 . 88 PRO CA . 52371 1 581 . 1 . 1 88 88 PRO CB C 13 32.76101337 0.0359948532 . . . . . 1 . 88 PRO CB . 52371 1 582 . 1 . 1 89 89 VAL H H 1 7.806882025 0.001322363266 . . . . . 1 . 89 VAL H . 52371 1 583 . 1 . 1 89 89 VAL HA H 1 3.496033318 . . . . . . 1 . 89 VAL HA . 52371 1 584 . 1 . 1 89 89 VAL HB H 1 1.928472753 . . . . . . 1 . 89 VAL HB . 52371 1 585 . 1 . 1 89 89 VAL C C 13 177.8456859 0 . . . . . 1 . 89 VAL C . 52371 1 586 . 1 . 1 89 89 VAL CA C 13 65.34446836 . . . . . . 1 . 89 VAL CA . 52371 1 587 . 1 . 1 89 89 VAL N N 15 118.3604864 0.0179166792 . . . . . 1 . 89 VAL N . 52371 1 588 . 1 . 1 90 90 GLN H H 1 8.414432938 0.001284423714 . . . . . 1 . 90 GLN H . 52371 1 589 . 1 . 1 90 90 GLN HA H 1 4.076979108 . . . . . . 1 . 90 GLN HA . 52371 1 590 . 1 . 1 90 90 GLN HB2 H 1 2.018664467 . . . . . . 1 . 90 GLN HB# . 52371 1 591 . 1 . 1 90 90 GLN HB3 H 1 2.018664467 . . . . . . 1 . 90 GLN HB# . 52371 1 592 . 1 . 1 90 90 GLN C C 13 176.9802429 0.008275542827 . . . . . 1 . 90 GLN C . 52371 1 593 . 1 . 1 90 90 GLN CA C 13 57.03596455 . . . . . . 1 . 90 GLN CA . 52371 1 594 . 1 . 1 90 90 GLN CB C 13 28.07735755 . . . . . . 1 . 90 GLN CB . 52371 1 595 . 1 . 1 90 90 GLN N N 15 115.3911728 0.03260806927 . . . . . 1 . 90 GLN N . 52371 1 596 . 1 . 1 91 91 GLY H H 1 7.755509111 0.001013744763 . . . . . 1 . 91 GLY H . 52371 1 597 . 1 . 1 91 91 GLY HA2 H 1 3.961585944 . . . . . . 1 . 91 GLY HA# . 52371 1 598 . 1 . 1 91 91 GLY HA3 H 1 3.961585944 . . . . . . 1 . 91 GLY HA# . 52371 1 599 . 1 . 1 91 91 GLY C C 13 173.6957597 . . . . . . 1 . 91 GLY C . 52371 1 600 . 1 . 1 91 91 GLY CA C 13 45.41038222 . . . . . . 1 . 91 GLY CA . 52371 1 601 . 1 . 1 91 91 GLY N N 15 109.0911432 0.01809955373 . . . . . 1 . 91 GLY N . 52371 1 602 . 1 . 1 92 92 ASN H H 1 7.44171171 0.0005197914081 . . . . . 1 . 92 ASN H . 52371 1 603 . 1 . 1 92 92 ASN HA H 1 4.877373835 . . . . . . 1 . 92 ASN HA . 52371 1 604 . 1 . 1 92 92 ASN HB2 H 1 2.880672421 . . . . . . 1 . 92 ASN HB2 . 52371 1 605 . 1 . 1 92 92 ASN HB3 H 1 2.736338593 . . . . . . 1 . 92 ASN HB3 . 52371 1 606 . 1 . 1 92 92 ASN C C 13 174.1169689 . . . . . . 1 . 92 ASN C . 52371 1 607 . 1 . 1 92 92 ASN CA C 13 51.84446673 . . . . . . 1 . 92 ASN CA . 52371 1 608 . 1 . 1 92 92 ASN CB C 13 37.83227424 0.005178406006 . . . . . 1 . 92 ASN CB . 52371 1 609 . 1 . 1 92 92 ASN N N 15 119.9371677 0.007600582915 . . . . . 1 . 92 ASN N . 52371 1 610 . 1 . 1 93 93 GLN H H 1 8.606176038 0.001543058168 . . . . . 1 . 93 GLN H . 52371 1 611 . 1 . 1 93 93 GLN HA H 1 3.811109121 . . . . . . 1 . 93 GLN HA . 52371 1 612 . 1 . 1 93 93 GLN HB2 H 1 2.080075603 . . . . . . 1 . 93 GLN HB2 . 52371 1 613 . 1 . 1 93 93 GLN HB3 H 1 1.998598272 . . . . . . 1 . 93 GLN HB3 . 52371 1 614 . 1 . 1 93 93 GLN C C 13 178.4866936 . . . . . . 1 . 93 GLN C . 52371 1 615 . 1 . 1 93 93 GLN CA C 13 59.36803778 . . . . . . 1 . 93 GLN CA . 52371 1 616 . 1 . 1 93 93 GLN CB C 13 28.49802532 0.000050 . . . . . 1 . 93 GLN CB . 52371 1 617 . 1 . 1 93 93 GLN N N 15 122.9045475 0.03306017072 . . . . . 1 . 93 GLN N . 52371 1 618 . 1 . 1 94 94 GLU H H 1 8.503980759 0.001578407523 . . . . . 1 . 94 GLU H . 52371 1 619 . 1 . 1 94 94 GLU HA H 1 3.58301832 . . . . . . 1 . 94 GLU HA . 52371 1 620 . 1 . 1 94 94 GLU CA C 13 59.41763421 . . . . . . 1 . 94 GLU CA . 52371 1 621 . 1 . 1 94 94 GLU CB C 13 29.11176059 . . . . . . 1 . 94 GLU CB . 52371 1 622 . 1 . 1 94 94 GLU N N 15 119.476457 0.01403883687 . . . . . 1 . 94 GLU N . 52371 1 623 . 1 . 1 95 95 PHE H H 1 7.282737994 0.002296304347 . . . . . 1 . 95 PHE H . 52371 1 624 . 1 . 1 95 95 PHE HA H 1 4.593303915 . . . . . . 1 . 95 PHE HA . 52371 1 625 . 1 . 1 95 95 PHE CA C 13 59.00377672 . . . . . . 1 . 95 PHE CA . 52371 1 626 . 1 . 1 95 95 PHE CB C 13 38.74121418 . . . . . . 1 . 95 PHE CB . 52371 1 627 . 1 . 1 95 95 PHE N N 15 109.049193 0.01552893803 . . . . . 1 . 95 PHE N . 52371 1 628 . 1 . 1 96 96 CYS H H 1 8.108426986 0.002078181398 . . . . . 1 . 96 CYS H . 52371 1 629 . 1 . 1 96 96 CYS HA H 1 5.148621921 . . . . . . 1 . 96 CYS HA . 52371 1 630 . 1 . 1 96 96 CYS HB2 H 1 3.897101848 . . . . . . 1 . 96 CYS HB2 . 52371 1 631 . 1 . 1 96 96 CYS HB3 H 1 2.883742874 . . . . . . 1 . 96 CYS HB3 . 52371 1 632 . 1 . 1 96 96 CYS C C 13 174.8722706 . . . . . . 1 . 96 CYS C . 52371 1 633 . 1 . 1 96 96 CYS CA C 13 53.61471959 . . . . . . 1 . 96 CYS CA . 52371 1 634 . 1 . 1 96 96 CYS CB C 13 42.96526232 . . . . . . 1 . 96 CYS CB . 52371 1 635 . 1 . 1 96 96 CYS N N 15 116.0605301 0.01060249204 . . . . . 1 . 96 CYS N . 52371 1 636 . 1 . 1 97 97 GLY H H 1 7.09497655 0.002401276207 . . . . . 1 . 97 GLY H . 52371 1 637 . 1 . 1 97 97 GLY HA2 H 1 3.766673457 . . . . . . 1 . 97 GLY HA2 . 52371 1 638 . 1 . 1 97 97 GLY HA3 H 1 4.13395301 . . . . . . 1 . 97 GLY HA3 . 52371 1 639 . 1 . 1 97 97 GLY C C 13 173.6799966 . . . . . . 1 . 97 GLY C . 52371 1 640 . 1 . 1 97 97 GLY CA C 13 46.78014306 . . . . . . 1 . 97 GLY CA . 52371 1 641 . 1 . 1 97 97 GLY N N 15 104.5918488 0.01496981964 . . . . . 1 . 97 GLY N . 52371 1 642 . 1 . 1 98 98 GLN H H 1 8.894070388 0.000455306051 . . . . . 1 . 98 GLN H . 52371 1 643 . 1 . 1 98 98 GLN HA H 1 3.959724487 . . . . . . 1 . 98 GLN HA . 52371 1 644 . 1 . 1 98 98 GLN C C 13 175.6644847 0 . . . . . 1 . 98 GLN C . 52371 1 645 . 1 . 1 98 98 GLN CA C 13 58.6675695 0.000049997 . . . . . 1 . 98 GLN CA . 52371 1 646 . 1 . 1 98 98 GLN N N 15 121.7823778 0.01933455888 . . . . . 1 . 98 GLN N . 52371 1 647 . 1 . 1 99 99 THR H H 1 8.308945256 0.0001774550701 . . . . . 1 . 99 THR H . 52371 1 648 . 1 . 1 99 99 THR HA H 1 4.55022751 . . . . . . 1 . 99 THR HA . 52371 1 649 . 1 . 1 99 99 THR HB H 1 4.203027528 . . . . . . 1 . 99 THR HB . 52371 1 650 . 1 . 1 99 99 THR C C 13 174.7970591 . . . . . . 1 . 99 THR C . 52371 1 651 . 1 . 1 99 99 THR CA C 13 59.64209978 . . . . . . 1 . 99 THR CA . 52371 1 652 . 1 . 1 99 99 THR CB C 13 73.14145925 . . . . . . 1 . 99 THR CB . 52371 1 653 . 1 . 1 99 99 THR N N 15 114.8817428 0.009663871014 . . . . . 1 . 99 THR N . 52371 1 654 . 1 . 1 100 100 THR H H 1 9.169270383 0.002899076803 . . . . . 1 . 100 THR H . 52371 1 655 . 1 . 1 100 100 THR HA H 1 3.828463697 . . . . . . 1 . 100 THR HA . 52371 1 656 . 1 . 1 100 100 THR HB H 1 4.197253188 . . . . . . 1 . 100 THR HB . 52371 1 657 . 1 . 1 100 100 THR C C 13 176.7925541 0.01549085786 . . . . . 1 . 100 THR C . 52371 1 658 . 1 . 1 100 100 THR CA C 13 65.51156542 . . . . . . 1 . 100 THR CA . 52371 1 659 . 1 . 1 100 100 THR CB C 13 68.22112925 . . . . . . 1 . 100 THR CB . 52371 1 660 . 1 . 1 100 100 THR N N 15 109.7536574 0.02651582538 . . . . . 1 . 100 THR N . 52371 1 661 . 1 . 1 101 101 SER H H 1 7.45868738 0.0009054682623 . . . . . 1 . 101 SER H . 52371 1 662 . 1 . 1 101 101 SER HA H 1 4.360445052 . . . . . . 1 . 101 SER HA . 52371 1 663 . 1 . 1 101 101 SER HB2 H 1 3.786495136 . . . . . . 1 . 101 SER HB# . 52371 1 664 . 1 . 1 101 101 SER HB3 H 1 3.786495136 . . . . . . 1 . 101 SER HB# . 52371 1 665 . 1 . 1 101 101 SER C C 13 174.0031953 0.02125468855 . . . . . 1 . 101 SER C . 52371 1 666 . 1 . 1 101 101 SER CA C 13 59.6117985 . . . . . . 1 . 101 SER CA . 52371 1 667 . 1 . 1 101 101 SER CB C 13 63.29098443 . . . . . . 1 . 101 SER CB . 52371 1 668 . 1 . 1 101 101 SER N N 15 113.5880036 0.01292708558 . . . . . 1 . 101 SER N . 52371 1 669 . 1 . 1 102 102 ASN H H 1 7.390377425 0.00088702279 . . . . . 1 . 102 ASN H . 52371 1 670 . 1 . 1 102 102 ASN HA H 1 5.042726248 0 . . . . . 1 . 102 ASN HA . 52371 1 671 . 1 . 1 102 102 ASN HB2 H 1 2.85281849 . . . . . . 1 . 102 ASN HB2 . 52371 1 672 . 1 . 1 102 102 ASN HB3 H 1 2.483517861 . . . . . . 1 . 102 ASN HB3 . 52371 1 673 . 1 . 1 102 102 ASN C C 13 172.9569502 . . . . . . 1 . 102 ASN C . 52371 1 674 . 1 . 1 102 102 ASN CA C 13 51.32452257 . . . . . . 1 . 102 ASN CA . 52371 1 675 . 1 . 1 102 102 ASN CB C 13 39.45110835 0.00004768 . . . . . 1 . 102 ASN CB . 52371 1 676 . 1 . 1 102 102 ASN N N 15 120.3080046 0.01148789582 . . . . . 1 . 102 ASN N . 52371 1 677 . 1 . 1 103 103 PRO HA H 1 4.648858997 . . . . . . 1 . 103 PRO HA . 52371 1 678 . 1 . 1 103 103 PRO HB2 H 1 2.143518102 . . . . . . 1 . 103 PRO HB2 . 52371 1 679 . 1 . 1 103 103 PRO HB3 H 1 2.043766857 . . . . . . 1 . 103 PRO HB3 . 52371 1 680 . 1 . 1 103 103 PRO C C 13 175.7542387 0.01132758889 . . . . . 1 . 103 PRO C . 52371 1 681 . 1 . 1 103 103 PRO CA C 13 64.69333725 0.03966242683 . . . . . 1 . 103 PRO CA . 52371 1 682 . 1 . 1 103 103 PRO CB C 13 31.95167771 . . . . . . 1 . 103 PRO CB . 52371 1 683 . 1 . 1 104 104 THR H H 1 7.406619566 0.0006243989193 . . . . . 1 . 104 THR H . 52371 1 684 . 1 . 1 104 104 THR HA H 1 4.493226858 . . . . . . 1 . 104 THR HA . 52371 1 685 . 1 . 1 104 104 THR HB H 1 3.664622298 . . . . . . 1 . 104 THR HB . 52371 1 686 . 1 . 1 104 104 THR C C 13 173.6157096 0.00895435465 . . . . . 1 . 104 THR C . 52371 1 687 . 1 . 1 104 104 THR CA C 13 59.14901893 . . . . . . 1 . 104 THR CA . 52371 1 688 . 1 . 1 104 104 THR CB C 13 71.44136352 . . . . . . 1 . 104 THR CB . 52371 1 689 . 1 . 1 104 104 THR N N 15 106.6782724 0.01556936876 . . . . . 1 . 104 THR N . 52371 1 690 . 1 . 1 105 105 ASN H H 1 7.720053689 0.0005999271128 . . . . . 1 . 105 ASN H . 52371 1 691 . 1 . 1 105 105 ASN HA H 1 4.731180013 . . . . . . 1 . 105 ASN HA . 52371 1 692 . 1 . 1 105 105 ASN C C 13 177.0694959 0.01210557439 . . . . . 1 . 105 ASN C . 52371 1 693 . 1 . 1 105 105 ASN CA C 13 50.63430455 . . . . . . 1 . 105 ASN CA . 52371 1 694 . 1 . 1 105 105 ASN CB C 13 38.01403003 . . . . . . 1 . 105 ASN CB . 52371 1 695 . 1 . 1 105 105 ASN N N 15 117.4773236 0.01289114067 . . . . . 1 . 105 ASN N . 52371 1 696 . 1 . 1 106 106 GLN H H 1 7.687492437 0.0009307469325 . . . . . 1 . 106 GLN H . 52371 1 697 . 1 . 1 106 106 GLN HA H 1 3.925087645 . . . . . . 1 . 106 GLN HA . 52371 1 698 . 1 . 1 106 106 GLN HB2 H 1 1.741817592 . . . . . . 1 . 106 GLN HB2 . 52371 1 699 . 1 . 1 106 106 GLN HB3 H 1 1.632963664 . . . . . . 1 . 106 GLN HB3 . 52371 1 700 . 1 . 1 106 106 GLN C C 13 175.869242 0.01710075164 . . . . . 1 . 106 GLN C . 52371 1 701 . 1 . 1 106 106 GLN CA C 13 58.10703694 0.01767191788 . . . . . 1 . 106 GLN CA . 52371 1 702 . 1 . 1 106 106 GLN CB C 13 28.60563367 . . . . . . 1 . 106 GLN CB . 52371 1 703 . 1 . 1 106 106 GLN N N 15 116.3356961 0.01880874489 . . . . . 1 . 106 GLN N . 52371 1 704 . 1 . 1 107 107 HIS H H 1 7.508870934 0.001625301205 . . . . . 1 . 107 HIS H . 52371 1 705 . 1 . 1 107 107 HIS HA H 1 4.69352413 . . . . . . 1 . 107 HIS HA . 52371 1 706 . 1 . 1 107 107 HIS HB2 H 1 3.496122764 . . . . . . 1 . 107 HIS HB2 . 52371 1 707 . 1 . 1 107 107 HIS HB3 H 1 2.562180082 . . . . . . 1 . 107 HIS HB3 . 52371 1 708 . 1 . 1 107 107 HIS C C 13 174.8621138 0.0156396568 . . . . . 1 . 107 HIS C . 52371 1 709 . 1 . 1 107 107 HIS CA C 13 54.9281619 . . . . . . 1 . 107 HIS CA . 52371 1 710 . 1 . 1 107 107 HIS CB C 13 30.29575449 . . . . . . 1 . 107 HIS CB . 52371 1 711 . 1 . 1 107 107 HIS N N 15 115.3362912 0.01113506612 . . . . . 1 . 107 HIS N . 52371 1 712 . 1 . 1 108 108 GLY H H 1 8.116353543 0.002438248765 . . . . . 1 . 108 GLY H . 52371 1 713 . 1 . 1 108 108 GLY HA2 H 1 3.751064349 . . . . . . 1 . 108 GLY HA2 . 52371 1 714 . 1 . 1 108 108 GLY HA3 H 1 4.188551344 . . . . . . 1 . 108 GLY HA3 . 52371 1 715 . 1 . 1 108 108 GLY C C 13 174.3771451 0.0005797618269 . . . . . 1 . 108 GLY C . 52371 1 716 . 1 . 1 108 108 GLY CA C 13 45.784476 . . . . . . 1 . 108 GLY CA . 52371 1 717 . 1 . 1 108 108 GLY N N 15 107.4457342 0.0238325427 . . . . . 1 . 108 GLY N . 52371 1 718 . 1 . 1 109 109 MET H H 1 7.833395758 0.001610561966 . . . . . 1 . 109 MET H . 52371 1 719 . 1 . 1 109 109 MET C C 13 177.5959469 . . . . . . 1 . 109 MET C . 52371 1 720 . 1 . 1 109 109 MET CA C 13 50.6870438 . . . . . . 1 . 109 MET CA . 52371 1 721 . 1 . 1 109 109 MET CB C 13 36.08968069 . . . . . . 1 . 109 MET CB . 52371 1 722 . 1 . 1 109 109 MET N N 15 116.5091515 0.02617961801 . . . . . 1 . 109 MET N . 52371 1 723 . 1 . 1 110 110 PRO HA H 1 5.058690605 . . . . . . 1 . 110 PRO HA . 52371 1 724 . 1 . 1 110 110 PRO HB2 H 1 2.159138704 . . . . . . 1 . 110 PRO HB2 . 52371 1 725 . 1 . 1 110 110 PRO HB3 H 1 1.897348164 . . . . . . 1 . 110 PRO HB3 . 52371 1 726 . 1 . 1 110 110 PRO C C 13 173.0333042 0.01916257945 . . . . . 1 . 110 PRO C . 52371 1 727 . 1 . 1 110 110 PRO CA C 13 63.39879947 . . . . . . 1 . 110 PRO CA . 52371 1 728 . 1 . 1 110 110 PRO CB C 13 32.15099716 . . . . . . 1 . 110 PRO CB . 52371 1 729 . 1 . 1 111 111 PHE H H 1 6.963963377 0.0009957921901 . . . . . 1 . 111 PHE H . 52371 1 730 . 1 . 1 111 111 PHE HA H 1 4.746021717 . . . . . . 1 . 111 PHE HA . 52371 1 731 . 1 . 1 111 111 PHE HB2 H 1 2.484627964 . . . . . . 1 . 111 PHE HB2 . 52371 1 732 . 1 . 1 111 111 PHE C C 13 173.6792303 . . . . . . 1 . 111 PHE C . 52371 1 733 . 1 . 1 111 111 PHE CA C 13 55.84175078 . . . . . . 1 . 111 PHE CA . 52371 1 734 . 1 . 1 111 111 PHE CB C 13 43.87416828 . . . . . . 1 . 111 PHE CB . 52371 1 735 . 1 . 1 111 111 PHE N N 15 113.6201964 0.03073781906 . . . . . 1 . 111 PHE N . 52371 1 736 . 1 . 1 112 112 HIS H H 1 8.368942741 0.0009266910842 . . . . . 1 . 112 HIS H . 52371 1 737 . 1 . 1 112 112 HIS HA H 1 5.058023306 . . . . . . 1 . 112 HIS HA . 52371 1 738 . 1 . 1 112 112 HIS HB2 H 1 2.911565034 . . . . . . 1 . 112 HIS HB2 . 52371 1 739 . 1 . 1 112 112 HIS C C 13 173.0255266 0.01318388735 . . . . . 1 . 112 HIS C . 52371 1 740 . 1 . 1 112 112 HIS CA C 13 56.06721831 . . . . . . 1 . 112 HIS CA . 52371 1 741 . 1 . 1 112 112 HIS CB C 13 38.02857249 . . . . . . 1 . 112 HIS CB . 52371 1 742 . 1 . 1 112 112 HIS N N 15 118.5553743 0.02149878095 . . . . . 1 . 112 HIS N . 52371 1 743 . 1 . 1 113 113 PHE H H 1 7.682435084 0.001033613967 . . . . . 1 . 113 PHE H . 52371 1 744 . 1 . 1 113 113 PHE HA H 1 5.073937745 . . . . . . 1 . 113 PHE HA . 52371 1 745 . 1 . 1 113 113 PHE C C 13 172.4423765 . . . . . . 1 . 113 PHE C . 52371 1 746 . 1 . 1 113 113 PHE CA C 13 55.96007244 . . . . . . 1 . 113 PHE CA . 52371 1 747 . 1 . 1 113 113 PHE CB C 13 41.67032454 . . . . . . 1 . 113 PHE CB . 52371 1 748 . 1 . 1 113 113 PHE N N 15 121.98553 0.01739567648 . . . . . 1 . 113 PHE N . 52371 1 749 . 1 . 1 114 114 ASP H H 1 9.137711748 0.001859284031 . . . . . 1 . 114 ASP H . 52371 1 750 . 1 . 1 114 114 ASP HA H 1 5.144058667 . . . . . . 1 . 114 ASP HA . 52371 1 751 . 1 . 1 114 114 ASP HB2 H 1 2.902031835 . . . . . . 1 . 114 ASP HB2 . 52371 1 752 . 1 . 1 114 114 ASP C C 13 176.2158145 0.01390618444 . . . . . 1 . 114 ASP C . 52371 1 753 . 1 . 1 114 114 ASP CA C 13 51.05124225 . . . . . . 1 . 114 ASP CA . 52371 1 754 . 1 . 1 114 114 ASP CB C 13 42.78829348 0.0000499997 . . . . . 1 . 114 ASP CB . 52371 1 755 . 1 . 1 114 114 ASP N N 15 125.972984 0.02977501664 . . . . . 1 . 114 ASP N . 52371 1 756 . 1 . 1 115 115 ILE H H 1 10.16528611 0.001541282947 . . . . . 1 . 115 ILE H . 52371 1 757 . 1 . 1 115 115 ILE HA H 1 4.119140146 . . . . . . 1 . 115 ILE HA . 52371 1 758 . 1 . 1 115 115 ILE HB H 1 1.900893019 . . . . . . 1 . 115 ILE HB . 52371 1 759 . 1 . 1 115 115 ILE C C 13 175.5968554 . . . . . . 1 . 115 ILE C . 52371 1 760 . 1 . 1 115 115 ILE CA C 13 63.0254118 . . . . . . 1 . 115 ILE CA . 52371 1 761 . 1 . 1 115 115 ILE CB C 13 39.3909351 . . . . . . 1 . 115 ILE CB . 52371 1 762 . 1 . 1 115 115 ILE N N 15 128.1535374 0.02497992559 . . . . . 1 . 115 ILE N . 52371 1 763 . 1 . 1 116 116 CYS H H 1 8.780296638 0.001608518796 . . . . . 1 . 116 CYS H . 52371 1 764 . 1 . 1 116 116 CYS HA H 1 4.219042908 . . . . . . 1 . 116 CYS HA . 52371 1 765 . 1 . 1 116 116 CYS HB2 H 1 3.370897549 . . . . . . 1 . 116 CYS HB2 . 52371 1 766 . 1 . 1 116 116 CYS C C 13 176.5335319 . . . . . . 1 . 116 CYS C . 52371 1 767 . 1 . 1 116 116 CYS CA C 13 55.43559215 0.002885358232 . . . . . 1 . 116 CYS CA . 52371 1 768 . 1 . 1 116 116 CYS CB C 13 42.41581696 0.01431479041 . . . . . 1 . 116 CYS CB . 52371 1 769 . 1 . 1 116 116 CYS N N 15 126.7986466 0.003728563145 . . . . . 1 . 116 CYS N . 52371 1 770 . 1 . 1 117 117 GLU H H 1 9.960379234 0.003454234801 . . . . . 1 . 117 GLU H . 52371 1 771 . 1 . 1 117 117 GLU HA H 1 4.551746435 . . . . . . 1 . 117 GLU HA . 52371 1 772 . 1 . 1 117 117 GLU HB2 H 1 2.057699253 . . . . . . 1 . 117 GLU HB2 . 52371 1 773 . 1 . 1 117 117 GLU C C 13 180.3265551 . . . . . . 1 . 117 GLU C . 52371 1 774 . 1 . 1 117 117 GLU CA C 13 58.27633678 . . . . . . 1 . 117 GLU CA . 52371 1 775 . 1 . 1 117 117 GLU CB C 13 31.3864998 . . . . . . 1 . 117 GLU CB . 52371 1 776 . 1 . 1 117 117 GLU N N 15 128.6340462 0.05044639568 . . . . . 1 . 117 GLU N . 52371 1 777 . 1 . 1 118 118 ASP H H 1 8.203929626 0.001230214617 . . . . . 1 . 118 ASP H . 52371 1 778 . 1 . 1 118 118 ASP HA H 1 4.244879661 0.001129000565 . . . . . 1 . 118 ASP HA . 52371 1 779 . 1 . 1 118 118 ASP HB2 H 1 2.703494204 0 . . . . . 1 . 118 ASP HB2 . 52371 1 780 . 1 . 1 118 118 ASP HB3 H 1 3.048371015 0 . . . . . 1 . 118 ASP HB3 . 52371 1 781 . 1 . 1 118 118 ASP C C 13 176.9671486 . . . . . . 1 . 118 ASP C . 52371 1 782 . 1 . 1 118 118 ASP CA C 13 57.55322924 0.01354151778 . . . . . 1 . 118 ASP CA . 52371 1 783 . 1 . 1 118 118 ASP CB C 13 40.65961416 . . . . . . 1 . 118 ASP CB . 52371 1 784 . 1 . 1 118 118 ASP N N 15 118.5708075 0.03555252145 . . . . . 1 . 118 ASP N . 52371 1 785 . 1 . 1 119 119 THR H H 1 6.621295634 0.000020 . . . . . 1 . 119 THR H . 52371 1 786 . 1 . 1 119 119 THR HA H 1 4.800154426 . . . . . . 1 . 119 THR HA . 52371 1 787 . 1 . 1 119 119 THR C C 13 175.9380283 0.006457919129 . . . . . 1 . 119 THR C . 52371 1 788 . 1 . 1 119 119 THR CA C 13 59.93037869 . . . . . . 1 . 119 THR CA . 52371 1 789 . 1 . 1 119 119 THR CB C 13 69.2117306 . . . . . . 1 . 119 THR CB . 52371 1 790 . 1 . 1 119 119 THR N N 15 99.4680796 0.001499998435 . . . . . 1 . 119 THR N . 52371 1 791 . 1 . 1 120 120 GLY H H 1 7.720931444 0.0002390292661 . . . . . 1 . 120 GLY H . 52371 1 792 . 1 . 1 120 120 GLY HA2 H 1 4.526691277 . . . . . . 1 . 120 GLY HA2 . 52371 1 793 . 1 . 1 120 120 GLY HA3 H 1 4.071637792 . . . . . . 1 . 120 GLY HA3 . 52371 1 794 . 1 . 1 120 120 GLY C C 13 177.0521846 . . . . . . 1 . 120 GLY C . 52371 1 795 . 1 . 1 120 120 GLY CA C 13 46.92000116 . . . . . . 1 . 120 GLY CA . 52371 1 796 . 1 . 1 120 120 GLY N N 15 106.051043 0.01340250326 . . . . . 1 . 120 GLY N . 52371 1 797 . 1 . 1 121 121 GLY H H 1 8.608421605 0.001337973245 . . . . . 1 . 121 GLY H . 52371 1 798 . 1 . 1 121 121 GLY HA2 H 1 2.732866048 . . . . . . 1 . 121 GLY HA2 . 52371 1 799 . 1 . 1 121 121 GLY HA3 H 1 2.013964326 . . . . . . 1 . 121 GLY HA3 . 52371 1 800 . 1 . 1 121 121 GLY C C 13 175.0047148 . . . . . . 1 . 121 GLY C . 52371 1 801 . 1 . 1 121 121 GLY CA C 13 46.5540123 . . . . . . 1 . 121 GLY CA . 52371 1 802 . 1 . 1 121 121 GLY N N 15 110.6090562 0.04594311488 . . . . . 1 . 121 GLY N . 52371 1 803 . 1 . 1 122 122 SER H H 1 7.016444986 0.0007587555862 . . . . . 1 . 122 SER H . 52371 1 804 . 1 . 1 122 122 SER HA H 1 4.038351431 . . . . . . 1 . 122 SER HA . 52371 1 805 . 1 . 1 122 122 SER C C 13 176.0725242 0 . . . . . 1 . 122 SER C . 52371 1 806 . 1 . 1 122 122 SER CA C 13 61.27827574 . . . . . . 1 . 122 SER CA . 52371 1 807 . 1 . 1 122 122 SER CB C 13 62.59302831 . . . . . . 1 . 122 SER CB . 52371 1 808 . 1 . 1 122 122 SER N N 15 112.0407189 0.0008012771379 . . . . . 1 . 122 SER N . 52371 1 809 . 1 . 1 123 123 ALA H H 1 7.239665792 0.0004333700957 . . . . . 1 . 123 ALA H . 52371 1 810 . 1 . 1 123 123 ALA HA H 1 4.307682985 . . . . . . 1 . 123 ALA HA . 52371 1 811 . 1 . 1 123 123 ALA HB1 H 1 1.499736714 . . . . . . 1 . 123 ALA HB# . 52371 1 812 . 1 . 1 123 123 ALA HB2 H 1 1.499736714 . . . . . . 1 . 123 ALA HB# . 52371 1 813 . 1 . 1 123 123 ALA HB3 H 1 1.499736714 . . . . . . 1 . 123 ALA HB# . 52371 1 814 . 1 . 1 123 123 ALA C C 13 178.9176328 0.02465952472 . . . . . 1 . 123 ALA C . 52371 1 815 . 1 . 1 123 123 ALA CA C 13 54.38925172 . . . . . . 1 . 123 ALA CA . 52371 1 816 . 1 . 1 123 123 ALA CB C 13 18.39562721 . . . . . . 1 . 123 ALA CB . 52371 1 817 . 1 . 1 123 123 ALA N N 15 124.0569645 0.02311201906 . . . . . 1 . 123 ALA N . 52371 1 818 . 1 . 1 124 124 LYS H H 1 6.815687199 0.00282142227 . . . . . 1 . 124 LYS H . 52371 1 819 . 1 . 1 124 124 LYS HA H 1 4.332923208 . . . . . . 1 . 124 LYS HA . 52371 1 820 . 1 . 1 124 124 LYS HB2 H 1 1.691483241 . . . . . . 1 . 124 LYS HB# . 52371 1 821 . 1 . 1 124 124 LYS HB3 H 1 1.691483241 . . . . . . 1 . 124 LYS HB# . 52371 1 822 . 1 . 1 124 124 LYS C C 13 176.7427805 0.0005145353552 . . . . . 1 . 124 LYS C . 52371 1 823 . 1 . 1 124 124 LYS CB C 13 33.32166079 . . . . . . 1 . 124 LYS CB . 52371 1 824 . 1 . 1 124 124 LYS N N 15 112.2974917 0.02281375578 . . . . . 1 . 124 LYS N . 52371 1 825 . 1 . 1 125 125 PHE H H 1 7.488572718 0.0007539973523 . . . . . 1 . 125 PHE H . 52371 1 826 . 1 . 1 125 125 PHE HA H 1 4.375415075 . . . . . . 1 . 125 PHE HA . 52371 1 827 . 1 . 1 125 125 PHE HB2 H 1 2.671835271 . . . . . . 1 . 125 PHE HB2 . 52371 1 828 . 1 . 1 125 125 PHE HB3 H 1 2.282238512 . . . . . . 1 . 125 PHE HB3 . 52371 1 829 . 1 . 1 125 125 PHE C C 13 173.863017 0.01788469767 . . . . . 1 . 125 PHE C . 52371 1 830 . 1 . 1 125 125 PHE CA C 13 60.97660989 . . . . . . 1 . 125 PHE CA . 52371 1 831 . 1 . 1 125 125 PHE CB C 13 42.60694882 . . . . . . 1 . 125 PHE CB . 52371 1 832 . 1 . 1 125 125 PHE N N 15 119.9938885 0.0148202064 . . . . . 1 . 125 PHE N . 52371 1 833 . 1 . 1 126 126 PHE H H 1 7.776381459 0.001517798731 . . . . . 1 . 126 PHE H . 52371 1 834 . 1 . 1 126 126 PHE C C 13 174.8439063 0 . . . . . 1 . 126 PHE C . 52371 1 835 . 1 . 1 126 126 PHE CA C 13 56.00941078 0.000049997 . . . . . 1 . 126 PHE CA . 52371 1 836 . 1 . 1 126 126 PHE CB C 13 38.5389847 0.0000499997 . . . . . 1 . 126 PHE CB . 52371 1 837 . 1 . 1 126 126 PHE N N 15 113.3340067 0.01748072197 . . . . . 1 . 126 PHE N . 52371 1 838 . 1 . 1 127 127 PRO HA H 1 4.518898321 . . . . . . 1 . 127 PRO HA . 52371 1 839 . 1 . 1 127 127 PRO HB2 H 1 2.140201462 . . . . . . 1 . 127 PRO HB2 . 52371 1 840 . 1 . 1 127 127 PRO HB3 H 1 1.803514206 . . . . . . 1 . 127 PRO HB3 . 52371 1 841 . 1 . 1 127 127 PRO C C 13 176.772138 0.0004906781791 . . . . . 1 . 127 PRO C . 52371 1 842 . 1 . 1 127 127 PRO CA C 13 61.56612061 0.006395809853 . . . . . 1 . 127 PRO CA . 52371 1 843 . 1 . 1 127 127 PRO CB C 13 32.0227804 0.01530425128 . . . . . 1 . 127 PRO CB . 52371 1 844 . 1 . 1 127 127 PRO N N 15 118.0072617 . . . . . . 1 . 127 PRO N . 52371 1 845 . 1 . 1 128 128 SER H H 1 8.703220783 0.001371501296 . . . . . 1 . 128 SER H . 52371 1 846 . 1 . 1 128 128 SER HA H 1 4.151170907 . . . . . . 1 . 128 SER HA . 52371 1 847 . 1 . 1 128 128 SER HB2 H 1 3.84931109 . . . . . . 1 . 128 SER HB# . 52371 1 848 . 1 . 1 128 128 SER HB3 H 1 3.84931109 . . . . . . 1 . 128 SER HB# . 52371 1 849 . 1 . 1 128 128 SER C C 13 176.5279843 0.005687808606 . . . . . 1 . 128 SER C . 52371 1 850 . 1 . 1 128 128 SER CA C 13 60.07967956 . . . . . . 1 . 128 SER CA . 52371 1 851 . 1 . 1 128 128 SER CB C 13 62.71566262 . . . . . . 1 . 128 SER CB . 52371 1 852 . 1 . 1 128 128 SER N N 15 117.9986984 0.03282542151 . . . . . 1 . 128 SER N . 52371 1 853 . 1 . 1 129 129 GLY H H 1 8.815998209 0.001735825594 . . . . . 1 . 129 GLY H . 52371 1 854 . 1 . 1 129 129 GLY HA2 H 1 3.594440561 . . . . . . 1 . 129 GLY HA2 . 52371 1 855 . 1 . 1 129 129 GLY HA3 H 1 4.071368406 . . . . . . 1 . 129 GLY HA3 . 52371 1 856 . 1 . 1 129 129 GLY C C 13 174.1505915 . . . . . . 1 . 129 GLY C . 52371 1 857 . 1 . 1 129 129 GLY CA C 13 45.19940734 . . . . . . 1 . 129 GLY CA . 52371 1 858 . 1 . 1 129 129 GLY N N 15 113.9322987 0.008788248383 . . . . . 1 . 129 GLY N . 52371 1 859 . 1 . 1 130 130 HIS H H 1 7.84704599 0.002748526616 . . . . . 1 . 130 HIS H . 52371 1 860 . 1 . 1 130 130 HIS HA H 1 4.737099182 . . . . . . 1 . 130 HIS HA . 52371 1 861 . 1 . 1 130 130 HIS HB2 H 1 2.96191903 . . . . . . 1 . 130 HIS HB2 . 52371 1 862 . 1 . 1 130 130 HIS C C 13 172.5135189 0.004976518215 . . . . . 1 . 130 HIS C . 52371 1 863 . 1 . 1 130 130 HIS CA C 13 54.23143644 . . . . . . 1 . 130 HIS CA . 52371 1 864 . 1 . 1 130 130 HIS CB C 13 28.65434825 . . . . . . 1 . 130 HIS CB . 52371 1 865 . 1 . 1 130 130 HIS N N 15 119.0400201 0.04196687679 . . . . . 1 . 130 HIS N . 52371 1 866 . 1 . 1 131 131 GLY H H 1 8.182696346 0.001733671334 . . . . . 1 . 131 GLY H . 52371 1 867 . 1 . 1 131 131 GLY HA2 H 1 3.724077305 . . . . . . 1 . 131 GLY HA2 . 52371 1 868 . 1 . 1 131 131 GLY HA3 H 1 3.373161516 . . . . . . 1 . 131 GLY HA3 . 52371 1 869 . 1 . 1 131 131 GLY C C 13 171.5324058 0.01770248994 . . . . . 1 . 131 GLY C . 52371 1 870 . 1 . 1 131 131 GLY CA C 13 45.8193171 . . . . . . 1 . 131 GLY CA . 52371 1 871 . 1 . 1 131 131 GLY N N 15 108.6595181 0.007955309124 . . . . . 1 . 131 GLY N . 52371 1 872 . 1 . 1 132 132 ALA H H 1 7.66402578 0.001050051811 . . . . . 1 . 132 ALA H . 52371 1 873 . 1 . 1 132 132 ALA HA H 1 5.684449492 . . . . . . 1 . 132 ALA HA . 52371 1 874 . 1 . 1 132 132 ALA HB1 H 1 1.375321954 . . . . . . 1 . 132 ALA HB# . 52371 1 875 . 1 . 1 132 132 ALA HB2 H 1 1.375321954 . . . . . . 1 . 132 ALA HB# . 52371 1 876 . 1 . 1 132 132 ALA HB3 H 1 1.375321954 . . . . . . 1 . 132 ALA HB# . 52371 1 877 . 1 . 1 132 132 ALA C C 13 176.3180074 0.01989846761 . . . . . 1 . 132 ALA C . 52371 1 878 . 1 . 1 132 132 ALA CA C 13 51.07839356 . . . . . . 1 . 132 ALA CA . 52371 1 879 . 1 . 1 132 132 ALA CB C 13 21.77929966 . . . . . . 1 . 132 ALA CB . 52371 1 880 . 1 . 1 132 132 ALA N N 15 120.1087214 0.02241356656 . . . . . 1 . 132 ALA N . 52371 1 881 . 1 . 1 133 133 LEU H H 1 9.057396789 0.001331484395 . . . . . 1 . 133 LEU H . 52371 1 882 . 1 . 1 133 133 LEU HA H 1 5.907345268 . . . . . . 1 . 133 LEU HA . 52371 1 883 . 1 . 1 133 133 LEU HB2 H 1 2.01036388 . . . . . . 1 . 133 LEU HB2 . 52371 1 884 . 1 . 1 133 133 LEU C C 13 176.4371937 0.0001136113938 . . . . . 1 . 133 LEU C . 52371 1 885 . 1 . 1 133 133 LEU CA C 13 53.31783504 . . . . . . 1 . 133 LEU CA . 52371 1 886 . 1 . 1 133 133 LEU CB C 13 49.52471256 . . . . . . 1 . 133 LEU CB . 52371 1 887 . 1 . 1 133 133 LEU N N 15 117.9065756 0.01439665466 . . . . . 1 . 133 LEU N . 52371 1 888 . 1 . 1 134 134 THR H H 1 9.59659524 0.002136895679 . . . . . 1 . 134 THR H . 52371 1 889 . 1 . 1 134 134 THR HA H 1 5.538747628 . . . . . . 1 . 134 THR HA . 52371 1 890 . 1 . 1 134 134 THR HB H 1 4.871923323 . . . . . . 1 . 134 THR HB . 52371 1 891 . 1 . 1 134 134 THR C C 13 174.3213312 . . . . . . 1 . 134 THR C . 52371 1 892 . 1 . 1 134 134 THR CA C 13 61.38657508 . . . . . . 1 . 134 THR CA . 52371 1 893 . 1 . 1 134 134 THR CB C 13 71.35681955 . . . . . . 1 . 134 THR CB . 52371 1 894 . 1 . 1 134 134 THR N N 15 109.5687281 0.02155626353 . . . . . 1 . 134 THR N . 52371 1 895 . 1 . 1 135 135 GLY H H 1 9.06749947 0.002214974802 . . . . . 1 . 135 GLY H . 52371 1 896 . 1 . 1 135 135 GLY HA2 H 1 5.544070553 . . . . . . 1 . 135 GLY HA2 . 52371 1 897 . 1 . 1 135 135 GLY HA3 H 1 4.206375516 . . . . . . 1 . 135 GLY HA3 . 52371 1 898 . 1 . 1 135 135 GLY C C 13 176.2373922 . . . . . . 1 . 135 GLY C . 52371 1 899 . 1 . 1 135 135 GLY CA C 13 46.86282226 . . . . . . 1 . 135 GLY CA . 52371 1 900 . 1 . 1 135 135 GLY N N 15 107.5718201 0.02480019173 . . . . . 1 . 135 GLY N . 52371 1 901 . 1 . 1 136 136 THR H H 1 9.676891375 0.002278544055 . . . . . 1 . 136 THR H . 52371 1 902 . 1 . 1 136 136 THR HA H 1 5.624246516 . . . . . . 1 . 136 THR HA . 52371 1 903 . 1 . 1 136 136 THR HB H 1 4.402485504 . . . . . . 1 . 136 THR HB . 52371 1 904 . 1 . 1 136 136 THR C C 13 171.9431202 0.004139117488 . . . . . 1 . 136 THR C . 52371 1 905 . 1 . 1 136 136 THR CA C 13 60.23545209 . . . . . . 1 . 136 THR CA . 52371 1 906 . 1 . 1 136 136 THR CB C 13 72.91305711 . . . . . . 1 . 136 THR CB . 52371 1 907 . 1 . 1 136 136 THR N N 15 118.149042 0.009674810339 . . . . . 1 . 136 THR N . 52371 1 908 . 1 . 1 137 137 PHE H H 1 8.476344418 0.001667595688 . . . . . 1 . 137 PHE H . 52371 1 909 . 1 . 1 137 137 PHE HA H 1 5.913848924 . . . . . . 1 . 137 PHE HA . 52371 1 910 . 1 . 1 137 137 PHE HB2 H 1 2.54879607 . . . . . . 1 . 137 PHE HB2 . 52371 1 911 . 1 . 1 137 137 PHE C C 13 174.1867007 . . . . . . 1 . 137 PHE C . 52371 1 912 . 1 . 1 137 137 PHE CA C 13 55.36066723 0.000050 . . . . . 1 . 137 PHE CA . 52371 1 913 . 1 . 1 137 137 PHE CB C 13 45.2917804 0.000049997 . . . . . 1 . 137 PHE CB . 52371 1 914 . 1 . 1 137 137 PHE N N 15 115.1608987 0.007545809526 . . . . . 1 . 137 PHE N . 52371 1 915 . 1 . 1 138 138 THR H H 1 8.578176158 0.001541608412 . . . . . 1 . 138 THR H . 52371 1 916 . 1 . 1 138 138 THR HA H 1 4.995513311 . . . . . . 1 . 138 THR HA . 52371 1 917 . 1 . 1 138 138 THR HB H 1 3.997440977 . . . . . . 1 . 138 THR HB . 52371 1 918 . 1 . 1 138 138 THR C C 13 172.980002 . . . . . . 1 . 138 THR C . 52371 1 919 . 1 . 1 138 138 THR CA C 13 60.80576363 . . . . . . 1 . 138 THR CA . 52371 1 920 . 1 . 1 138 138 THR CB C 13 72.4268911 . . . . . . 1 . 138 THR CB . 52371 1 921 . 1 . 1 138 138 THR N N 15 115.6197738 0.03110070733 . . . . . 1 . 138 THR N . 52371 1 922 . 1 . 1 139 139 GLU H H 1 10.11586365 0.000068666 . . . . . 1 . 139 GLU H . 52371 1 923 . 1 . 1 139 139 GLU HA H 1 4.211369912 . . . . . . 1 . 139 GLU HA . 52371 1 924 . 1 . 1 139 139 GLU C C 13 174.6333914 . . . . . . 1 . 139 GLU C . 52371 1 925 . 1 . 1 139 139 GLU CA C 13 57.07029228 . . . . . . 1 . 139 GLU CA . 52371 1 926 . 1 . 1 139 139 GLU CB C 13 26.56387135 . . . . . . 1 . 139 GLU CB . 52371 1 927 . 1 . 1 139 139 GLU N N 15 131.2798421 0.009024036878 . . . . . 1 . 139 GLU N . 52371 1 928 . 1 . 1 140 140 VAL H H 1 8.127511894 0.0000621 . . . . . 1 . 140 VAL H . 52371 1 929 . 1 . 1 140 140 VAL HA H 1 4.676552002 . . . . . . 1 . 140 VAL HA . 52371 1 930 . 1 . 1 140 140 VAL HB H 1 2.179128828 . . . . . . 1 . 140 VAL HB . 52371 1 931 . 1 . 1 140 140 VAL C C 13 174.7708068 . . . . . . 1 . 140 VAL C . 52371 1 932 . 1 . 1 140 140 VAL CA C 13 58.19821172 . . . . . . 1 . 140 VAL CA . 52371 1 933 . 1 . 1 140 140 VAL CB C 13 36.97098636 . . . . . . 1 . 140 VAL CB . 52371 1 934 . 1 . 1 140 140 VAL N N 15 119.2600272 0.04673917156 . . . . . 1 . 140 VAL N . 52371 1 935 . 1 . 1 141 141 SER H H 1 8.160886285 0.001596667543 . . . . . 1 . 141 SER H . 52371 1 936 . 1 . 1 141 141 SER HA H 1 4.419494414 . . . . . . 1 . 141 SER HA . 52371 1 937 . 1 . 1 141 141 SER HB2 H 1 4.040205781 . . . . . . 1 . 141 SER HB2 . 52371 1 938 . 1 . 1 141 141 SER HB3 H 1 3.72222191 . . . . . . 1 . 141 SER HB3 . 52371 1 939 . 1 . 1 141 141 SER C C 13 178.1607889 . . . . . . 1 . 141 SER C . 52371 1 940 . 1 . 1 141 141 SER CA C 13 57.64554775 . . . . . . 1 . 141 SER CA . 52371 1 941 . 1 . 1 141 141 SER CB C 13 63.47404689 . . . . . . 1 . 141 SER CB . 52371 1 942 . 1 . 1 141 141 SER N N 15 113.5881532 0.02364354597 . . . . . 1 . 141 SER N . 52371 1 943 . 1 . 1 142 142 CYS H H 1 9.696205022 0.00239185876 . . . . . 1 . 142 CYS H . 52371 1 944 . 1 . 1 142 142 CYS HA H 1 4.555181571 . . . . . . 1 . 142 CYS HA . 52371 1 945 . 1 . 1 142 142 CYS HB2 H 1 3.235409348 . . . . . . 1 . 142 CYS HB# . 52371 1 946 . 1 . 1 142 142 CYS HB3 H 1 3.235409348 . . . . . . 1 . 142 CYS HB# . 52371 1 947 . 1 . 1 142 142 CYS C C 13 177.3014569 0.009554818762 . . . . . 1 . 142 CYS C . 52371 1 948 . 1 . 1 142 142 CYS CA C 13 55.96656915 . . . . . . 1 . 142 CYS CA . 52371 1 949 . 1 . 1 142 142 CYS CB C 13 39.58376856 . . . . . . 1 . 142 CYS CB . 52371 1 950 . 1 . 1 142 142 CYS N N 15 124.3475357 0.01177522081 . . . . . 1 . 142 CYS N . 52371 1 951 . 1 . 1 143 143 SER H H 1 8.726224013 0.001437047278 . . . . . 1 . 143 SER H . 52371 1 952 . 1 . 1 143 143 SER HA H 1 4.376054996 . . . . . . 1 . 143 SER HA . 52371 1 953 . 1 . 1 143 143 SER C C 13 175.8805941 . . . . . . 1 . 143 SER C . 52371 1 954 . 1 . 1 143 143 SER CA C 13 61.56775848 . . . . . . 1 . 143 SER CA . 52371 1 955 . 1 . 1 143 143 SER CB C 13 62.43809631 . . . . . . 1 . 143 SER CB . 52371 1 956 . 1 . 1 143 143 SER N N 15 120.3342076 0.01207558304 . . . . . 1 . 143 SER N . 52371 1 957 . 1 . 1 144 144 GLN H H 1 7.89878206 0.001307361922 . . . . . 1 . 144 GLN H . 52371 1 958 . 1 . 1 144 144 GLN HA H 1 4.302218476 . . . . . . 1 . 144 GLN HA . 52371 1 959 . 1 . 1 144 144 GLN HB2 H 1 1.985270686 . . . . . . 1 . 144 GLN HB2 . 52371 1 960 . 1 . 1 144 144 GLN C C 13 174.5326386 0.01363894649 . . . . . 1 . 144 GLN C . 52371 1 961 . 1 . 1 144 144 GLN CA C 13 56.21857775 . . . . . . 1 . 144 GLN CA . 52371 1 962 . 1 . 1 144 144 GLN CB C 13 29.17768744 . . . . . . 1 . 144 GLN CB . 52371 1 963 . 1 . 1 144 144 GLN N N 15 118.4817846 0.02764082238 . . . . . 1 . 144 GLN N . 52371 1 964 . 1 . 1 145 145 TRP H H 1 7.90560327 0.001274650907 . . . . . 1 . 145 TRP H . 52371 1 965 . 1 . 1 145 145 TRP HA H 1 4.571331958 . . . . . . 1 . 145 TRP HA . 52371 1 966 . 1 . 1 145 145 TRP HB2 H 1 3.766386725 . . . . . . 1 . 145 TRP HB2 . 52371 1 967 . 1 . 1 145 145 TRP HB3 H 1 2.805338503 . . . . . . 1 . 145 TRP HB3 . 52371 1 968 . 1 . 1 145 145 TRP C C 13 174.2731097 0.004423759125 . . . . . 1 . 145 TRP C . 52371 1 969 . 1 . 1 145 145 TRP CA C 13 56.50665453 . . . . . . 1 . 145 TRP CA . 52371 1 970 . 1 . 1 145 145 TRP CB C 13 31.77761574 . . . . . . 1 . 145 TRP CB . 52371 1 971 . 1 . 1 145 145 TRP N N 15 122.2462648 0.01725117169 . . . . . 1 . 145 TRP N . 52371 1 972 . 1 . 1 146 146 SER H H 1 6.293648329 0.003246302797 . . . . . 1 . 146 SER H . 52371 1 973 . 1 . 1 146 146 SER HA H 1 4.370175117 . . . . . . 1 . 146 SER HA . 52371 1 974 . 1 . 1 146 146 SER HB2 H 1 3.257870756 . . . . . . 1 . 146 SER HB# . 52371 1 975 . 1 . 1 146 146 SER HB3 H 1 3.257870756 . . . . . . 1 . 146 SER HB# . 52371 1 976 . 1 . 1 146 146 SER C C 13 171.6057681 0.004565376712 . . . . . 1 . 146 SER C . 52371 1 977 . 1 . 1 146 146 SER CB C 13 64.01561068 . . . . . . 1 . 146 SER CB . 52371 1 978 . 1 . 1 146 146 SER N N 15 119.1830854 0.02378670313 . . . . . 1 . 146 SER N . 52371 1 979 . 1 . 1 147 147 GLY H H 1 7.736968369 0.0006362484063 . . . . . 1 . 147 GLY H . 52371 1 980 . 1 . 1 147 147 GLY HA2 H 1 3.245648717 . . . . . . 1 . 147 GLY HA2 . 52371 1 981 . 1 . 1 147 147 GLY HA3 H 1 3.152290834 . . . . . . 1 . 147 GLY HA3 . 52371 1 982 . 1 . 1 147 147 GLY C C 13 171.6581142 0.001986067464 . . . . . 1 . 147 GLY C . 52371 1 983 . 1 . 1 147 147 GLY CA C 13 43.70450617 . . . . . . 1 . 147 GLY CA . 52371 1 984 . 1 . 1 147 147 GLY N N 15 111.3476662 0.01320294299 . . . . . 1 . 147 GLY N . 52371 1 985 . 1 . 1 148 148 SER H H 1 7.91110309 0.0008917592475 . . . . . 1 . 148 SER H . 52371 1 986 . 1 . 1 148 148 SER HA H 1 4.930726914 . . . . . . 1 . 148 SER HA . 52371 1 987 . 1 . 1 148 148 SER HB2 H 1 3.798975275 . . . . . . 1 . 148 SER HB2 . 52371 1 988 . 1 . 1 148 148 SER HB3 H 1 3.687135325 . . . . . . 1 . 148 SER HB3 . 52371 1 989 . 1 . 1 148 148 SER C C 13 173.6654671 0.007527442421 . . . . . 1 . 148 SER C . 52371 1 990 . 1 . 1 148 148 SER CA C 13 56.57498982 . . . . . . 1 . 148 SER CA . 52371 1 991 . 1 . 1 148 148 SER CB C 13 65.83599211 . . . . . . 1 . 148 SER CB . 52371 1 992 . 1 . 1 148 148 SER N N 15 111.8422814 0.03822739166 . . . . . 1 . 148 SER N . 52371 1 993 . 1 . 1 149 149 ASP H H 1 9.326117974 0.001606703578 . . . . . 1 . 149 ASP H . 52371 1 994 . 1 . 1 149 149 ASP HA H 1 4.877815427 . . . . . . 1 . 149 ASP HA . 52371 1 995 . 1 . 1 149 149 ASP C C 13 176.3979737 0.0110286764 . . . . . 1 . 149 ASP C . 52371 1 996 . 1 . 1 149 149 ASP CA C 13 53.30217282 . . . . . . 1 . 149 ASP CA . 52371 1 997 . 1 . 1 149 149 ASP CB C 13 39.18659645 . . . . . . 1 . 149 ASP CB . 52371 1 998 . 1 . 1 149 149 ASP N N 15 125.449818 0.02028613518 . . . . . 1 . 149 ASP N . 52371 1 999 . 1 . 1 150 150 GLY H H 1 8.89423243 0.002252725887 . . . . . 1 . 150 GLY H . 52371 1 1000 . 1 . 1 150 150 GLY HA2 H 1 3.86707361 . . . . . . 1 . 150 GLY HA2 . 52371 1 1001 . 1 . 1 150 150 GLY HA3 H 1 4.203136201 . . . . . . 1 . 150 GLY HA3 . 52371 1 1002 . 1 . 1 150 150 GLY C C 13 173.3983945 0.001038694503 . . . . . 1 . 150 GLY C . 52371 1 1003 . 1 . 1 150 150 GLY CA C 13 43.70181948 . . . . . . 1 . 150 GLY CA . 52371 1 1004 . 1 . 1 150 150 GLY N N 15 111.0479477 0.00970510809 . . . . . 1 . 150 GLY N . 52371 1 1005 . 1 . 1 151 151 GLY H H 1 8.119083325 0.0003916301674 . . . . . 1 . 151 GLY H . 52371 1 1006 . 1 . 1 151 151 GLY HA2 H 1 4.122738293 . . . . . . 1 . 151 GLY HA2 . 52371 1 1007 . 1 . 1 151 151 GLY HA3 H 1 3.621680689 . . . . . . 1 . 151 GLY HA3 . 52371 1 1008 . 1 . 1 151 151 GLY C C 13 174.2296231 . . . . . . 1 . 151 GLY C . 52371 1 1009 . 1 . 1 151 151 GLY CA C 13 43.98352119 . . . . . . 1 . 151 GLY CA . 52371 1 1010 . 1 . 1 151 151 GLY N N 15 104.0340142 0.02573600872 . . . . . 1 . 151 GLY N . 52371 1 1011 . 1 . 1 152 152 GLN H H 1 8.508872625 0.001609804947 . . . . . 1 . 152 GLN H . 52371 1 1012 . 1 . 1 152 152 GLN HA H 1 3.853867029 . . . . . . 1 . 152 GLN HA . 52371 1 1013 . 1 . 1 152 152 GLN C C 13 177.0688492 . . . . . . 1 . 152 GLN C . 52371 1 1014 . 1 . 1 152 152 GLN CA C 13 56.62274742 . . . . . . 1 . 152 GLN CA . 52371 1 1015 . 1 . 1 152 152 GLN CB C 13 29.37265666 . . . . . . 1 . 152 GLN CB . 52371 1 1016 . 1 . 1 152 152 GLN N N 15 117.5084639 0.0201861047 . . . . . 1 . 152 GLN N . 52371 1 1017 . 1 . 1 153 153 LEU H H 1 8.539505973 0.001566703184 . . . . . 1 . 153 LEU H . 52371 1 1018 . 1 . 1 153 153 LEU HA H 1 4.291897602 . . . . . . 1 . 153 LEU HA . 52371 1 1019 . 1 . 1 153 153 LEU C C 13 176.7679289 . . . . . . 1 . 153 LEU C . 52371 1 1020 . 1 . 1 153 153 LEU CA C 13 55.60348322 0.000049997 . . . . . 1 . 153 LEU CA . 52371 1 1021 . 1 . 1 153 153 LEU CB C 13 42.53651892 . . . . . . 1 . 153 LEU CB . 52371 1 1022 . 1 . 1 153 153 LEU N N 15 124.6993227 0.0244809248 . . . . . 1 . 153 LEU N . 52371 1 1023 . 1 . 1 154 154 TRP H H 1 6.804604142 0.002388211227 . . . . . 1 . 154 TRP H . 52371 1 1024 . 1 . 1 154 154 TRP HA H 1 4.697320607 . . . . . . 1 . 154 TRP HA . 52371 1 1025 . 1 . 1 154 154 TRP HB2 H 1 3.268455791 . . . . . . 1 . 154 TRP HB2 . 52371 1 1026 . 1 . 1 154 154 TRP HB3 H 1 3.8066257 . . . . . . 1 . 154 TRP HB3 . 52371 1 1027 . 1 . 1 154 154 TRP C C 13 175.8094559 . . . . . . 1 . 154 TRP C . 52371 1 1028 . 1 . 1 154 154 TRP CA C 13 54.30127069 . . . . . . 1 . 154 TRP CA . 52371 1 1029 . 1 . 1 154 154 TRP CB C 13 29.82488623 . . . . . . 1 . 154 TRP CB . 52371 1 1030 . 1 . 1 154 154 TRP N N 15 112.6244389 0.03333181727 . . . . . 1 . 154 TRP N . 52371 1 1031 . 1 . 1 155 155 ASN H H 1 8.9750773 0.001378553084 . . . . . 1 . 155 ASN H . 52371 1 1032 . 1 . 1 155 155 ASN HA H 1 4.555131832 . . . . . . 1 . 155 ASN HA . 52371 1 1033 . 1 . 1 155 155 ASN HB2 H 1 2.884479766 . . . . . . 1 . 155 ASN HB# . 52371 1 1034 . 1 . 1 155 155 ASN HB3 H 1 2.884479766 . . . . . . 1 . 155 ASN HB# . 52371 1 1035 . 1 . 1 155 155 ASN C C 13 176.3886174 0.01377816175 . . . . . 1 . 155 ASN C . 52371 1 1036 . 1 . 1 155 155 ASN CA C 13 55.10215277 . . . . . . 1 . 155 ASN CA . 52371 1 1037 . 1 . 1 155 155 ASN CB C 13 38.32173646 . . . . . . 1 . 155 ASN CB . 52371 1 1038 . 1 . 1 155 155 ASN N N 15 118.6839868 0.03672351338 . . . . . 1 . 155 ASN N . 52371 1 1039 . 1 . 1 156 156 GLY H H 1 9.134702173 0.002063921207 . . . . . 1 . 156 GLY H . 52371 1 1040 . 1 . 1 156 156 GLY HA2 H 1 3.788242694 . . . . . . 1 . 156 GLY HA2 . 52371 1 1041 . 1 . 1 156 156 GLY HA3 H 1 4.570269881 . . . . . . 1 . 156 GLY HA3 . 52371 1 1042 . 1 . 1 156 156 GLY C C 13 175.3158763 . . . . . . 1 . 156 GLY C . 52371 1 1043 . 1 . 1 156 156 GLY CA C 13 44.8719067 . . . . . . 1 . 156 GLY CA . 52371 1 1044 . 1 . 1 156 156 GLY N N 15 113.0739248 0.01003763661 . . . . . 1 . 156 GLY N . 52371 1 1045 . 1 . 1 157 157 ALA H H 1 7.512662023 0.0005450506517 . . . . . 1 . 157 ALA H . 52371 1 1046 . 1 . 1 157 157 ALA HA H 1 4.029127743 . . . . . . 1 . 157 ALA HA . 52371 1 1047 . 1 . 1 157 157 ALA HB1 H 1 1.054469721 . . . . . . 1 . 157 ALA HB# . 52371 1 1048 . 1 . 1 157 157 ALA HB2 H 1 1.054469721 . . . . . . 1 . 157 ALA HB# . 52371 1 1049 . 1 . 1 157 157 ALA HB3 H 1 1.054469721 . . . . . . 1 . 157 ALA HB# . 52371 1 1050 . 1 . 1 157 157 ALA C C 13 177.279314 0.01833836638 . . . . . 1 . 157 ALA C . 52371 1 1051 . 1 . 1 157 157 ALA CA C 13 53.10151003 . . . . . . 1 . 157 ALA CA . 52371 1 1052 . 1 . 1 157 157 ALA CB C 13 21.3457195 . . . . . . 1 . 157 ALA CB . 52371 1 1053 . 1 . 1 157 157 ALA N N 15 125.2616681 0.01603018509 . . . . . 1 . 157 ALA N . 52371 1 1054 . 1 . 1 158 158 CYS H H 1 8.585524272 0.001707386256 . . . . . 1 . 158 CYS H . 52371 1 1055 . 1 . 1 158 158 CYS HA H 1 4.61670159 . . . . . . 1 . 158 CYS HA . 52371 1 1056 . 1 . 1 158 158 CYS HB2 H 1 3.398221272 . . . . . . 1 . 158 CYS HB2 . 52371 1 1057 . 1 . 1 158 158 CYS HB3 H 1 2.774758119 . . . . . . 1 . 158 CYS HB3 . 52371 1 1058 . 1 . 1 158 158 CYS C C 13 171.4843947 . . . . . . 1 . 158 CYS C . 52371 1 1059 . 1 . 1 158 158 CYS CA C 13 57.4976105 . . . . . . 1 . 158 CYS CA . 52371 1 1060 . 1 . 1 158 158 CYS CB C 13 46.53021297 . . . . . . 1 . 158 CYS CB . 52371 1 1061 . 1 . 1 158 158 CYS N N 15 119.632156 0.03234401132 . . . . . 1 . 158 CYS N . 52371 1 1062 . 1 . 1 159 159 LEU H H 1 8.924164581 0.002084673057 . . . . . 1 . 159 LEU H . 52371 1 1063 . 1 . 1 159 159 LEU HA H 1 4.245392274 . . . . . . 1 . 159 LEU HA . 52371 1 1064 . 1 . 1 159 159 LEU HB2 H 1 1.318547427 . . . . . . 1 . 159 LEU HB2 . 52371 1 1065 . 1 . 1 159 159 LEU HB3 H 1 1.839285434 . . . . . . 1 . 159 LEU HB3 . 52371 1 1066 . 1 . 1 159 159 LEU C C 13 177.0110728 0.03227440915 . . . . . 1 . 159 LEU C . 52371 1 1067 . 1 . 1 159 159 LEU CA C 13 54.37883766 . . . . . . 1 . 159 LEU CA . 52371 1 1068 . 1 . 1 159 159 LEU CB C 13 42.49529559 . . . . . . 1 . 159 LEU CB . 52371 1 1069 . 1 . 1 159 159 LEU N N 15 125.7830116 0.04130699274 . . . . . 1 . 159 LEU N . 52371 1 1070 . 1 . 1 160 160 SER H H 1 8.222341443 0.00413655795 . . . . . 1 . 160 SER H . 52371 1 1071 . 1 . 1 160 160 SER HA H 1 4.322002747 . . . . . . 1 . 160 SER HA . 52371 1 1072 . 1 . 1 160 160 SER C C 13 174.1673008 0 . . . . . 1 . 160 SER C . 52371 1 1073 . 1 . 1 160 160 SER CA C 13 62.01472202 0.01000125726 . . . . . 1 . 160 SER CA . 52371 1 1074 . 1 . 1 160 160 SER CB C 13 62.42863408 . . . . . . 1 . 160 SER CB . 52371 1 1075 . 1 . 1 160 160 SER N N 15 116.7452219 0.02907187265 . . . . . 1 . 160 SER N . 52371 1 1076 . 1 . 1 161 161 GLY H H 1 7.411061329 0.0001924367319 . . . . . 1 . 161 GLY H . 52371 1 1077 . 1 . 1 161 161 GLY HA2 H 1 3.408838282 . . . . . . 1 . 161 GLY HA2 . 52371 1 1078 . 1 . 1 161 161 GLY HA3 H 1 3.695465589 . . . . . . 1 . 161 GLY HA3 . 52371 1 1079 . 1 . 1 161 161 GLY C C 13 173.6612348 . . . . . . 1 . 161 GLY C . 52371 1 1080 . 1 . 1 161 161 GLY CA C 13 47.25056428 0.002818287603 . . . . . 1 . 161 GLY CA . 52371 1 1081 . 1 . 1 161 161 GLY N N 15 110.2769733 0.008501706944 . . . . . 1 . 161 GLY N . 52371 1 1082 . 1 . 1 162 162 GLU H H 1 8.59161501 0.0008660102732 . . . . . 1 . 162 GLU H . 52371 1 1083 . 1 . 1 162 162 GLU HA H 1 4.680242522 . . . . . . 1 . 162 GLU HA . 52371 1 1084 . 1 . 1 162 162 GLU CA C 13 57.29496796 . . . . . . 1 . 162 GLU CA . 52371 1 1085 . 1 . 1 162 162 GLU CB C 13 28.06716699 . . . . . . 1 . 162 GLU CB . 52371 1 1086 . 1 . 1 162 162 GLU N N 15 120.3675881 0.01733145834 . . . . . 1 . 162 GLU N . 52371 1 1087 . 1 . 1 163 163 THR H H 1 7.172962283 0.001213156056 . . . . . 1 . 163 THR H . 52371 1 1088 . 1 . 1 163 163 THR HA H 1 4.604560847 . . . . . . 1 . 163 THR HA . 52371 1 1089 . 1 . 1 163 163 THR HB H 1 4.533831144 . . . . . . 1 . 163 THR HB . 52371 1 1090 . 1 . 1 163 163 THR C C 13 173.977839 0.01847325257 . . . . . 1 . 163 THR C . 52371 1 1091 . 1 . 1 163 163 THR CA C 13 60.32140827 . . . . . . 1 . 163 THR CA . 52371 1 1092 . 1 . 1 163 163 THR CB C 13 69.11402686 . . . . . . 1 . 163 THR CB . 52371 1 1093 . 1 . 1 163 163 THR N N 15 109.6688028 0.02881777671 . . . . . 1 . 163 THR N . 52371 1 1094 . 1 . 1 164 164 ALA H H 1 6.767793243 0.001360859278 . . . . . 1 . 164 ALA H . 52371 1 1095 . 1 . 1 164 164 ALA HA H 1 4.651034286 . . . . . . 1 . 164 ALA HA . 52371 1 1096 . 1 . 1 164 164 ALA HB1 H 1 1.250656224 . . . . . . 1 . 164 ALA HB# . 52371 1 1097 . 1 . 1 164 164 ALA HB2 H 1 1.250656224 . . . . . . 1 . 164 ALA HB# . 52371 1 1098 . 1 . 1 164 164 ALA HB3 H 1 1.250656224 . . . . . . 1 . 164 ALA HB# . 52371 1 1099 . 1 . 1 164 164 ALA C C 13 175.3883726 . . . . . . 1 . 164 ALA C . 52371 1 1100 . 1 . 1 164 164 ALA CA C 13 50.5935928 . . . . . . 1 . 164 ALA CA . 52371 1 1101 . 1 . 1 164 164 ALA CB C 13 19.66983127 0.02983126611 . . . . . 1 . 164 ALA CB . 52371 1 1102 . 1 . 1 164 164 ALA N N 15 125.3243518 0.0185469667 . . . . . 1 . 164 ALA N . 52371 1 1103 . 1 . 1 165 165 PRO HA H 1 4.463290157 . . . . . . 1 . 165 PRO HA . 52371 1 1104 . 1 . 1 165 165 PRO HB2 H 1 2.422563949 . . . . . . 1 . 165 PRO HB2 . 52371 1 1105 . 1 . 1 165 165 PRO HB3 H 1 1.873714124 . . . . . . 1 . 165 PRO HB3 . 52371 1 1106 . 1 . 1 165 165 PRO CA C 13 61.95520409 0.03531444395 . . . . . 1 . 165 PRO CA . 52371 1 1107 . 1 . 1 165 165 PRO CB C 13 32.22760201 0.000690234922 . . . . . 1 . 165 PRO CB . 52371 1 1108 . 1 . 1 166 166 ASN H H 1 8.691872416 0.001235651929 . . . . . 1 . 166 ASN H . 52371 1 1109 . 1 . 1 166 166 ASN HA H 1 4.004852529 . . . . . . 1 . 166 ASN HA . 52371 1 1110 . 1 . 1 166 166 ASN HB2 H 1 2.592751688 . . . . . . 1 . 166 ASN HB# . 52371 1 1111 . 1 . 1 166 166 ASN HB3 H 1 2.592751688 . . . . . . 1 . 166 ASN HB# . 52371 1 1112 . 1 . 1 166 166 ASN C C 13 175.6752812 0.02857212804 . . . . . 1 . 166 ASN C . 52371 1 1113 . 1 . 1 166 166 ASN CA C 13 52.49657562 . . . . . . 1 . 166 ASN CA . 52371 1 1114 . 1 . 1 166 166 ASN CB C 13 37.76674012 . . . . . . 1 . 166 ASN CB . 52371 1 1115 . 1 . 1 166 166 ASN N N 15 121.3171826 0.02374581953 . . . . . 1 . 166 ASN N . 52371 1 1116 . 1 . 1 167 167 TRP H H 1 7.703404884 0.00539610592 . . . . . 1 . 167 TRP H . 52371 1 1117 . 1 . 1 167 167 TRP HA H 1 5.008766956 . . . . . . 1 . 167 TRP HA . 52371 1 1118 . 1 . 1 167 167 TRP HB2 H 1 2.89679646 . . . . . . 1 . 167 TRP HB2 . 52371 1 1119 . 1 . 1 167 167 TRP C C 13 175.5203915 0 . . . . . 1 . 167 TRP C . 52371 1 1120 . 1 . 1 167 167 TRP CA C 13 56.11081837 . . . . . . 1 . 167 TRP CA . 52371 1 1121 . 1 . 1 167 167 TRP CB C 13 28.14603448 0.0000337 . . . . . 1 . 167 TRP CB . 52371 1 1122 . 1 . 1 167 167 TRP N N 15 120.4652754 0.02894276634 . . . . . 1 . 167 TRP N . 52371 1 1123 . 1 . 1 169 169 SER H H 1 8.673935663 0.00342159399 . . . . . 1 . 169 SER H . 52371 1 1124 . 1 . 1 169 169 SER HA H 1 4.481988108 . . . . . . 1 . 169 SER HA . 52371 1 1125 . 1 . 1 169 169 SER C C 13 171.8009432 . . . . . . 1 . 169 SER C . 52371 1 1126 . 1 . 1 169 169 SER CA C 13 58.73687863 . . . . . . 1 . 169 SER CA . 52371 1 1127 . 1 . 1 169 169 SER CB C 13 62.75775618 . . . . . . 1 . 169 SER CB . 52371 1 1128 . 1 . 1 169 169 SER N N 15 119.8658822 0.03954092861 . . . . . 1 . 169 SER N . 52371 1 1129 . 1 . 1 170 170 THR H H 1 8.302460261 0.0007331775348 . . . . . 1 . 170 THR H . 52371 1 1130 . 1 . 1 170 170 THR HA H 1 4.96110458 . . . . . . 1 . 170 THR HA . 52371 1 1131 . 1 . 1 170 170 THR HB H 1 3.918343183 . . . . . . 1 . 170 THR HB . 52371 1 1132 . 1 . 1 170 170 THR C C 13 173.2637722 . . . . . . 1 . 170 THR C . 52371 1 1133 . 1 . 1 170 170 THR CA C 13 62.2585793 . . . . . . 1 . 170 THR CA . 52371 1 1134 . 1 . 1 170 170 THR CB C 13 71.86325916 . . . . . . 1 . 170 THR CB . 52371 1 1135 . 1 . 1 170 170 THR N N 15 110.8480805 0.03216433806 . . . . . 1 . 170 THR N . 52371 1 1136 . 1 . 1 171 171 ALA H H 1 11.47616104 0.004423632503 . . . . . 1 . 171 ALA H . 52371 1 1137 . 1 . 1 171 171 ALA HA H 1 4.454606704 . . . . . . 1 . 171 ALA HA . 52371 1 1138 . 1 . 1 171 171 ALA HB1 H 1 1.136294808 . . . . . . 1 . 171 ALA HB# . 52371 1 1139 . 1 . 1 171 171 ALA HB2 H 1 1.136294808 . . . . . . 1 . 171 ALA HB# . 52371 1 1140 . 1 . 1 171 171 ALA HB3 H 1 1.136294808 . . . . . . 1 . 171 ALA HB# . 52371 1 1141 . 1 . 1 171 171 ALA C C 13 175.9984679 . . . . . . 1 . 171 ALA C . 52371 1 1142 . 1 . 1 171 171 ALA CA C 13 52.77589473 . . . . . . 1 . 171 ALA CA . 52371 1 1143 . 1 . 1 171 171 ALA CB C 13 19.31511344 . . . . . . 1 . 171 ALA CB . 52371 1 1144 . 1 . 1 171 171 ALA N N 15 134.1024328 0.02447664896 . . . . . 1 . 171 ALA N . 52371 1 1145 . 1 . 1 172 172 CYS H H 1 8.898671917 0.001548694812 . . . . . 1 . 172 CYS H . 52371 1 1146 . 1 . 1 172 172 CYS HA H 1 4.172979227 . . . . . . 1 . 172 CYS HA . 52371 1 1147 . 1 . 1 172 172 CYS HB2 H 1 2.981310612 . . . . . . 1 . 172 CYS HB2 . 52371 1 1148 . 1 . 1 172 172 CYS C C 13 176.2867738 . . . . . . 1 . 172 CYS C . 52371 1 1149 . 1 . 1 172 172 CYS CA C 13 58.38931079 . . . . . . 1 . 172 CYS CA . 52371 1 1150 . 1 . 1 172 172 CYS CB C 13 40.78895641 . . . . . . 1 . 172 CYS CB . 52371 1 1151 . 1 . 1 172 172 CYS N N 15 121.1640395 0.008754903609 . . . . . 1 . 172 CYS N . 52371 1 1152 . 1 . 1 173 173 GLY H H 1 9.572379225 0.001724489564 . . . . . 1 . 173 GLY H . 52371 1 1153 . 1 . 1 173 173 GLY HA2 H 1 4.290444717 . . . . . . 1 . 173 GLY HA2 . 52371 1 1154 . 1 . 1 173 173 GLY HA3 H 1 3.525650894 . . . . . . 1 . 173 GLY HA3 . 52371 1 1155 . 1 . 1 173 173 GLY C C 13 171.9891875 . . . . . . 1 . 173 GLY C . 52371 1 1156 . 1 . 1 173 173 GLY CA C 13 43.668023 . . . . . . 1 . 173 GLY CA . 52371 1 1157 . 1 . 1 173 173 GLY N N 15 107.2146628 0.009437383521 . . . . . 1 . 173 GLY N . 52371 1 1158 . 1 . 1 174 174 ASN H H 1 8.749073959 0.002115611893 . . . . . 1 . 174 ASN H . 52371 1 1159 . 1 . 1 174 174 ASN HA H 1 5.370048616 . . . . . . 1 . 174 ASN HA . 52371 1 1160 . 1 . 1 174 174 ASN HB2 H 1 2.663616607 . . . . . . 1 . 174 ASN HB# . 52371 1 1161 . 1 . 1 174 174 ASN HB3 H 1 2.663616607 . . . . . . 1 . 174 ASN HB# . 52371 1 1162 . 1 . 1 174 174 ASN C C 13 176.3273029 0.009599343075 . . . . . 1 . 174 ASN C . 52371 1 1163 . 1 . 1 174 174 ASN CA C 13 51.90201054 . . . . . . 1 . 174 ASN CA . 52371 1 1164 . 1 . 1 174 174 ASN CB C 13 39.75050429 . . . . . . 1 . 174 ASN CB . 52371 1 1165 . 1 . 1 174 174 ASN N N 15 117.3892608 0.0223394524 . . . . . 1 . 174 ASN N . 52371 1 1166 . 1 . 1 175 175 LYS H H 1 9.231294507 0.002841149123 . . . . . 1 . 175 LYS H . 52371 1 1167 . 1 . 1 175 175 LYS HA H 1 4.792400552 . . . . . . 1 . 175 LYS HA . 52371 1 1168 . 1 . 1 175 175 LYS HB2 H 1 1.793910787 . . . . . . 1 . 175 LYS HB2 . 52371 1 1169 . 1 . 1 175 175 LYS HB3 H 1 2.054209571 . . . . . . 1 . 175 LYS HB3 . 52371 1 1170 . 1 . 1 175 175 LYS C C 13 176.7248203 . . . . . . 1 . 175 LYS C . 52371 1 1171 . 1 . 1 175 175 LYS CA C 13 54.13450097 . . . . . . 1 . 175 LYS CA . 52371 1 1172 . 1 . 1 175 175 LYS CB C 13 36.27989901 . . . . . . 1 . 175 LYS CB . 52371 1 1173 . 1 . 1 175 175 LYS N N 15 120.3462463 0.01497717851 . . . . . 1 . 175 LYS N . 52371 1 1174 . 1 . 1 176 176 GLY H H 1 8.860839475 0.001017381288 . . . . . 1 . 176 GLY H . 52371 1 1175 . 1 . 1 176 176 GLY HA2 H 1 3.864195218 . . . . . . 1 . 176 GLY HA# . 52371 1 1176 . 1 . 1 176 176 GLY HA3 H 1 3.864195218 . . . . . . 1 . 176 GLY HA# . 52371 1 1177 . 1 . 1 176 176 GLY C C 13 172.8385863 . . . . . . 1 . 176 GLY C . 52371 1 1178 . 1 . 1 176 176 GLY CA C 13 45.53744367 . . . . . . 1 . 176 GLY CA . 52371 1 1179 . 1 . 1 176 176 GLY N N 15 109.6182601 0.02862140587 . . . . . 1 . 176 GLY N . 52371 1 1180 . 1 . 1 177 177 THR H H 1 8.140758077 0.0001419397734 . . . . . 1 . 177 THR H . 52371 1 1181 . 1 . 1 177 177 THR HA H 1 4.576035861 . . . . . . 1 . 177 THR HA . 52371 1 1182 . 1 . 1 177 177 THR HB H 1 3.811657923 . . . . . . 1 . 177 THR HB . 52371 1 1183 . 1 . 1 177 177 THR C C 13 173.3941654 0.007146162353 . . . . . 1 . 177 THR C . 52371 1 1184 . 1 . 1 177 177 THR CA C 13 60.45787134 . . . . . . 1 . 177 THR CA . 52371 1 1185 . 1 . 1 177 177 THR CB C 13 71.12108581 . . . . . . 1 . 177 THR CB . 52371 1 1186 . 1 . 1 177 177 THR N N 15 114.7426023 0.0019362999 . . . . . 1 . 177 THR N . 52371 1 1187 . 1 . 1 178 178 ALA H H 1 7.952162459 0.0003643701894 . . . . . 1 . 178 ALA H . 52371 1 1188 . 1 . 1 178 178 ALA HA H 1 3.558406323 . . . . . . 1 . 178 ALA HA . 52371 1 1189 . 1 . 1 178 178 ALA HB1 H 1 0.394330242 . . . . . . 1 . 178 ALA HB# . 52371 1 1190 . 1 . 1 178 178 ALA HB2 H 1 0.394330242 . . . . . . 1 . 178 ALA HB# . 52371 1 1191 . 1 . 1 178 178 ALA HB3 H 1 0.394330242 . . . . . . 1 . 178 ALA HB# . 52371 1 1192 . 1 . 1 178 178 ALA C C 13 174.6760422 . . . . . . 1 . 178 ALA C . 52371 1 1193 . 1 . 1 178 178 ALA CA C 13 50.60529653 . . . . . . 1 . 178 ALA CA . 52371 1 1194 . 1 . 1 178 178 ALA CB C 13 17.12489467 . . . . . . 1 . 178 ALA CB . 52371 1 1195 . 1 . 1 178 178 ALA N N 15 128.490701 0.02504905884 . . . . . 1 . 178 ALA N . 52371 1 1196 . 1 . 1 179 179 PRO HA H 1 4.427734603 . . . . . . 1 . 179 PRO HA . 52371 1 1197 . 1 . 1 179 179 PRO HB2 H 1 2.335938407 . . . . . . 1 . 179 PRO HB2 . 52371 1 1198 . 1 . 1 179 179 PRO HB3 H 1 2.098503332 . . . . . . 1 . 179 PRO HB3 . 52371 1 1199 . 1 . 1 179 179 PRO C C 13 174.8946713 0.01137511543 . . . . . 1 . 179 PRO C . 52371 1 1200 . 1 . 1 179 179 PRO CA C 13 63.02679204 0.01898189447 . . . . . 1 . 179 PRO CA . 52371 1 1201 . 1 . 1 179 179 PRO CB C 13 32.17569095 0.01119595086 . . . . . 1 . 179 PRO CB . 52371 1 1202 . 1 . 1 180 180 SER H H 1 7.969365143 0.0007580574634 . . . . . 1 . 180 SER H . 52371 1 1203 . 1 . 1 180 180 SER HA H 1 4.58014369 0.003406119533 . . . . . 1 . 180 SER HA . 52371 1 1204 . 1 . 1 180 180 SER HB2 H 1 3.720976884 . . . . . . 1 . 180 SER HB2 . 52371 1 1205 . 1 . 1 180 180 SER HB3 H 1 3.811428227 . . . . . . 1 . 180 SER HB3 . 52371 1 1206 . 1 . 1 180 180 SER C C 13 179.122722 . . . . . . 1 . 180 SER C . 52371 1 1207 . 1 . 1 180 180 SER CA C 13 59.62557788 0.006253822859 . . . . . 1 . 180 SER CA . 52371 1 1208 . 1 . 1 180 180 SER CB C 13 65.94677601 . . . . . . 1 . 180 SER CB . 52371 1 1209 . 1 . 1 180 180 SER N N 15 122.5084398 0.009991943599 . . . . . 1 . 180 SER N . 52371 1 stop_ save_