data_53126 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 53126 _Entry.Title ; Assignment of SRSF6 Tandem RRM ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2025-05-07 _Entry.Accession_date 2025-05-07 _Entry.Last_release_date 2025-05-07 _Entry.Original_release_date 2025-05-07 _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 'Backbone assignment of SRSF6 RRM1-RRM2 in its apo state' _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 Julian 'von Ehr' . . . 0000-0003-4535-661X 53126 2 Andreas Schlundt . . . 0000-0003-2254-7560 53126 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 53126 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 473 53126 '15N chemical shifts' 169 53126 '1H chemical shifts' 476 53126 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 . . 2026-05-06 . original BMRB . 53126 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 53107 'Assignment of SRSF6 extRRM2 with CGGACU RNA' 53126 BMRB 53130 'Backbone assignment of SRSF6 RRM1 in complex with poly-C RNA' 53126 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 53126 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI 10.1016/j.jmr.2026.108079 _Citation.Full_citation . _Citation.Title ; 1H, 13C, 15N backbone chemical shift assignments and relaxation analysis of the single and tandem RRMs of the human serine-arginine rich splicing factor 6 (SRSF6) ; _Citation.Status 'in press' _Citation.Type journal _Citation.Journal_abbrev 'J. Magn. Reson.' _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 . _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 Julian 'von Ehr' . . . . 53126 1 2 Andreas Schlundt . . . . 53126 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA-binding protein' 53126 1 RRM 53126 1 SRSF6 53126 1 'Splicing factor' 53126 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 53126 _Assembly.ID 1 _Assembly.Name SRSF6_1-188 _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 . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SRSF6_1-188 1 $entity_1 . . yes native no no . . . 53126 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 53126 _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 ; MPRVYIGRLSYNVREKDIQR FFSGYGRLLEVDLKNGYGFV EFEDSRDADDAVYELNGKEL CGERVIVEHARGPRRDRDGY SYGSRSGGGGYSSRRTSGRD KYGPPVRTEYRLIVENLSSR CSWQDLKDFMRQAGEVTYAD AHKERTNEGVIEFRSYSDMK RALDKLDGTEINGRNIRLIE DKPRTSHR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-188 _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 UNP Q13247 . SRSF6 . . . . . . . . . . . . . . 53126 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Splicing factor, RNA-binding protein' 53126 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 53126 1 2 . PRO . 53126 1 3 . ARG . 53126 1 4 . VAL . 53126 1 5 . TYR . 53126 1 6 . ILE . 53126 1 7 . GLY . 53126 1 8 . ARG . 53126 1 9 . LEU . 53126 1 10 . SER . 53126 1 11 . TYR . 53126 1 12 . ASN . 53126 1 13 . VAL . 53126 1 14 . ARG . 53126 1 15 . GLU . 53126 1 16 . LYS . 53126 1 17 . ASP . 53126 1 18 . ILE . 53126 1 19 . GLN . 53126 1 20 . ARG . 53126 1 21 . PHE . 53126 1 22 . PHE . 53126 1 23 . SER . 53126 1 24 . GLY . 53126 1 25 . TYR . 53126 1 26 . GLY . 53126 1 27 . ARG . 53126 1 28 . LEU . 53126 1 29 . LEU . 53126 1 30 . GLU . 53126 1 31 . VAL . 53126 1 32 . ASP . 53126 1 33 . LEU . 53126 1 34 . LYS . 53126 1 35 . ASN . 53126 1 36 . GLY . 53126 1 37 . TYR . 53126 1 38 . GLY . 53126 1 39 . PHE . 53126 1 40 . VAL . 53126 1 41 . GLU . 53126 1 42 . PHE . 53126 1 43 . GLU . 53126 1 44 . ASP . 53126 1 45 . SER . 53126 1 46 . ARG . 53126 1 47 . ASP . 53126 1 48 . ALA . 53126 1 49 . ASP . 53126 1 50 . ASP . 53126 1 51 . ALA . 53126 1 52 . VAL . 53126 1 53 . TYR . 53126 1 54 . GLU . 53126 1 55 . LEU . 53126 1 56 . ASN . 53126 1 57 . GLY . 53126 1 58 . LYS . 53126 1 59 . GLU . 53126 1 60 . LEU . 53126 1 61 . CYS . 53126 1 62 . GLY . 53126 1 63 . GLU . 53126 1 64 . ARG . 53126 1 65 . VAL . 53126 1 66 . ILE . 53126 1 67 . VAL . 53126 1 68 . GLU . 53126 1 69 . HIS . 53126 1 70 . ALA . 53126 1 71 . ARG . 53126 1 72 . GLY . 53126 1 73 . PRO . 53126 1 74 . ARG . 53126 1 75 . ARG . 53126 1 76 . ASP . 53126 1 77 . ARG . 53126 1 78 . ASP . 53126 1 79 . GLY . 53126 1 80 . TYR . 53126 1 81 . SER . 53126 1 82 . TYR . 53126 1 83 . GLY . 53126 1 84 . SER . 53126 1 85 . ARG . 53126 1 86 . SER . 53126 1 87 . GLY . 53126 1 88 . GLY . 53126 1 89 . GLY . 53126 1 90 . GLY . 53126 1 91 . TYR . 53126 1 92 . SER . 53126 1 93 . SER . 53126 1 94 . ARG . 53126 1 95 . ARG . 53126 1 96 . THR . 53126 1 97 . SER . 53126 1 98 . GLY . 53126 1 99 . ARG . 53126 1 100 . ASP . 53126 1 101 . LYS . 53126 1 102 . TYR . 53126 1 103 . GLY . 53126 1 104 . PRO . 53126 1 105 . PRO . 53126 1 106 . VAL . 53126 1 107 . ARG . 53126 1 108 . THR . 53126 1 109 . GLU . 53126 1 110 . TYR . 53126 1 111 . ARG . 53126 1 112 . LEU . 53126 1 113 . ILE . 53126 1 114 . VAL . 53126 1 115 . GLU . 53126 1 116 . ASN . 53126 1 117 . LEU . 53126 1 118 . SER . 53126 1 119 . SER . 53126 1 120 . ARG . 53126 1 121 . CYS . 53126 1 122 . SER . 53126 1 123 . TRP . 53126 1 124 . GLN . 53126 1 125 . ASP . 53126 1 126 . LEU . 53126 1 127 . LYS . 53126 1 128 . ASP . 53126 1 129 . PHE . 53126 1 130 . MET . 53126 1 131 . ARG . 53126 1 132 . GLN . 53126 1 133 . ALA . 53126 1 134 . GLY . 53126 1 135 . GLU . 53126 1 136 . VAL . 53126 1 137 . THR . 53126 1 138 . TYR . 53126 1 139 . ALA . 53126 1 140 . ASP . 53126 1 141 . ALA . 53126 1 142 . HIS . 53126 1 143 . LYS . 53126 1 144 . GLU . 53126 1 145 . ARG . 53126 1 146 . THR . 53126 1 147 . ASN . 53126 1 148 . GLU . 53126 1 149 . GLY . 53126 1 150 . VAL . 53126 1 151 . ILE . 53126 1 152 . GLU . 53126 1 153 . PHE . 53126 1 154 . ARG . 53126 1 155 . SER . 53126 1 156 . TYR . 53126 1 157 . SER . 53126 1 158 . ASP . 53126 1 159 . MET . 53126 1 160 . LYS . 53126 1 161 . ARG . 53126 1 162 . ALA . 53126 1 163 . LEU . 53126 1 164 . ASP . 53126 1 165 . LYS . 53126 1 166 . LEU . 53126 1 167 . ASP . 53126 1 168 . GLY . 53126 1 169 . THR . 53126 1 170 . GLU . 53126 1 171 . ILE . 53126 1 172 . ASN . 53126 1 173 . GLY . 53126 1 174 . ARG . 53126 1 175 . ASN . 53126 1 176 . ILE . 53126 1 177 . ARG . 53126 1 178 . LEU . 53126 1 179 . ILE . 53126 1 180 . GLU . 53126 1 181 . ASP . 53126 1 182 . LYS . 53126 1 183 . PRO . 53126 1 184 . ARG . 53126 1 185 . THR . 53126 1 186 . SER . 53126 1 187 . HIS . 53126 1 188 . ARG . 53126 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 53126 1 . PRO 2 2 53126 1 . ARG 3 3 53126 1 . VAL 4 4 53126 1 . TYR 5 5 53126 1 . ILE 6 6 53126 1 . GLY 7 7 53126 1 . ARG 8 8 53126 1 . LEU 9 9 53126 1 . SER 10 10 53126 1 . TYR 11 11 53126 1 . ASN 12 12 53126 1 . VAL 13 13 53126 1 . ARG 14 14 53126 1 . GLU 15 15 53126 1 . LYS 16 16 53126 1 . ASP 17 17 53126 1 . ILE 18 18 53126 1 . GLN 19 19 53126 1 . ARG 20 20 53126 1 . PHE 21 21 53126 1 . PHE 22 22 53126 1 . SER 23 23 53126 1 . GLY 24 24 53126 1 . TYR 25 25 53126 1 . GLY 26 26 53126 1 . ARG 27 27 53126 1 . LEU 28 28 53126 1 . LEU 29 29 53126 1 . GLU 30 30 53126 1 . VAL 31 31 53126 1 . ASP 32 32 53126 1 . LEU 33 33 53126 1 . LYS 34 34 53126 1 . ASN 35 35 53126 1 . GLY 36 36 53126 1 . TYR 37 37 53126 1 . GLY 38 38 53126 1 . PHE 39 39 53126 1 . VAL 40 40 53126 1 . GLU 41 41 53126 1 . PHE 42 42 53126 1 . GLU 43 43 53126 1 . ASP 44 44 53126 1 . SER 45 45 53126 1 . ARG 46 46 53126 1 . ASP 47 47 53126 1 . ALA 48 48 53126 1 . ASP 49 49 53126 1 . ASP 50 50 53126 1 . ALA 51 51 53126 1 . VAL 52 52 53126 1 . TYR 53 53 53126 1 . GLU 54 54 53126 1 . LEU 55 55 53126 1 . ASN 56 56 53126 1 . GLY 57 57 53126 1 . LYS 58 58 53126 1 . GLU 59 59 53126 1 . LEU 60 60 53126 1 . CYS 61 61 53126 1 . GLY 62 62 53126 1 . GLU 63 63 53126 1 . ARG 64 64 53126 1 . VAL 65 65 53126 1 . ILE 66 66 53126 1 . VAL 67 67 53126 1 . GLU 68 68 53126 1 . HIS 69 69 53126 1 . ALA 70 70 53126 1 . ARG 71 71 53126 1 . GLY 72 72 53126 1 . PRO 73 73 53126 1 . ARG 74 74 53126 1 . ARG 75 75 53126 1 . ASP 76 76 53126 1 . ARG 77 77 53126 1 . ASP 78 78 53126 1 . GLY 79 79 53126 1 . TYR 80 80 53126 1 . SER 81 81 53126 1 . TYR 82 82 53126 1 . GLY 83 83 53126 1 . SER 84 84 53126 1 . ARG 85 85 53126 1 . SER 86 86 53126 1 . GLY 87 87 53126 1 . GLY 88 88 53126 1 . GLY 89 89 53126 1 . GLY 90 90 53126 1 . TYR 91 91 53126 1 . SER 92 92 53126 1 . SER 93 93 53126 1 . ARG 94 94 53126 1 . ARG 95 95 53126 1 . THR 96 96 53126 1 . SER 97 97 53126 1 . GLY 98 98 53126 1 . ARG 99 99 53126 1 . ASP 100 100 53126 1 . LYS 101 101 53126 1 . TYR 102 102 53126 1 . GLY 103 103 53126 1 . PRO 104 104 53126 1 . PRO 105 105 53126 1 . VAL 106 106 53126 1 . ARG 107 107 53126 1 . THR 108 108 53126 1 . GLU 109 109 53126 1 . TYR 110 110 53126 1 . ARG 111 111 53126 1 . LEU 112 112 53126 1 . ILE 113 113 53126 1 . VAL 114 114 53126 1 . GLU 115 115 53126 1 . ASN 116 116 53126 1 . LEU 117 117 53126 1 . SER 118 118 53126 1 . SER 119 119 53126 1 . ARG 120 120 53126 1 . CYS 121 121 53126 1 . SER 122 122 53126 1 . TRP 123 123 53126 1 . GLN 124 124 53126 1 . ASP 125 125 53126 1 . LEU 126 126 53126 1 . LYS 127 127 53126 1 . ASP 128 128 53126 1 . PHE 129 129 53126 1 . MET 130 130 53126 1 . ARG 131 131 53126 1 . GLN 132 132 53126 1 . ALA 133 133 53126 1 . GLY 134 134 53126 1 . GLU 135 135 53126 1 . VAL 136 136 53126 1 . THR 137 137 53126 1 . TYR 138 138 53126 1 . ALA 139 139 53126 1 . ASP 140 140 53126 1 . ALA 141 141 53126 1 . HIS 142 142 53126 1 . LYS 143 143 53126 1 . GLU 144 144 53126 1 . ARG 145 145 53126 1 . THR 146 146 53126 1 . ASN 147 147 53126 1 . GLU 148 148 53126 1 . GLY 149 149 53126 1 . VAL 150 150 53126 1 . ILE 151 151 53126 1 . GLU 152 152 53126 1 . PHE 153 153 53126 1 . ARG 154 154 53126 1 . SER 155 155 53126 1 . TYR 156 156 53126 1 . SER 157 157 53126 1 . ASP 158 158 53126 1 . MET 159 159 53126 1 . LYS 160 160 53126 1 . ARG 161 161 53126 1 . ALA 162 162 53126 1 . LEU 163 163 53126 1 . ASP 164 164 53126 1 . LYS 165 165 53126 1 . LEU 166 166 53126 1 . ASP 167 167 53126 1 . GLY 168 168 53126 1 . THR 169 169 53126 1 . GLU 170 170 53126 1 . ILE 171 171 53126 1 . ASN 172 172 53126 1 . GLY 173 173 53126 1 . ARG 174 174 53126 1 . ASN 175 175 53126 1 . ILE 176 176 53126 1 . ARG 177 177 53126 1 . LEU 178 178 53126 1 . ILE 179 179 53126 1 . GLU 180 180 53126 1 . ASP 181 181 53126 1 . LYS 182 182 53126 1 . PRO 183 183 53126 1 . ARG 184 184 53126 1 . THR 185 185 53126 1 . SER 186 186 53126 1 . HIS 187 187 53126 1 . ARG 188 188 53126 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 53126 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . SRSF6 . 53126 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 53126 _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' 'Escherichia coli' . . . Escherichia coli Bl21(DE3) . . plasmid . . JvE051 . . . 53126 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 53126 _Sample.ID 1 _Sample.Name SRSF6_1-188_1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 SRSF6_1-188 '[U-13C; U-15N; U-2H]' . . 1 $entity_1 . . 230 . . uM . . . . 53126 1 2 D2O [U-2H] . . . . . . 7 . . % . . . . 53126 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53126 1 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53126 1 5 l-arginine 'natural abundance' . . . . . . 380 . . mM . . . . 53126 1 6 l-glutamate 'natural abundance' . . . . . . 380 . . mM . . . . 53126 1 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53126 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 53126 _Sample.ID 2 _Sample.Name SRSF6_1-188_2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% 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 SRSF6_1-188 '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 330 . . uM . . . . 53126 2 2 D2O [U-2H] . . . . . . 7 . . % . . . . 53126 2 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 53126 2 4 TCEP 'natural abundance' . . . . . . 2 . . mM . . . . 53126 2 5 l-arginine 'natural abundance' . . . . . . 380 . . mM . . . . 53126 2 6 l-glutamate 'natural abundance' . . . . . . 380 . . mM . . . . 53126 2 7 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 53126 2 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 53126 _Sample_condition_list.ID 1 _Sample_condition_list.Name SRSF6_1-188_sample-cond _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 . pH 53126 1 pressure 1 . atm 53126 1 temperature 298 . K 53126 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 53126 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.6-4.4 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 53126 1 processing . 53126 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 53126 _Software.ID 2 _Software.Type . _Software.Name ANALYSIS _Software.Version 2.5.1-2.5.2 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 53126 2 'data analysis' . 53126 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 53126 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name AV900neo _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 53126 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name AV950 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 950 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 53126 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name AV800 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 53126 _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 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53126 1 2 '3D HNCACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53126 1 3 '3D HN(CO)CACB' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 53126 1 4 '3D HNCO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53126 1 5 '3D HN(CA)CO' no yes no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 53126 1 6 '3D HBHANH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53126 1 7 '3D HBHA(CO)NH' no no no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . . 53126 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 53126 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name SRSF6_1-188_reference _Chem_shift_reference.Details '100 uM DSS in the sample' 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 . . . . . 53126 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 53126 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 53126 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 53126 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name SRSF6_1-188_chemical-shift _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 . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 53126 1 2 '3D HNCACB' . . . 53126 1 3 '3D HN(CO)CACB' . . . 53126 1 4 '3D HNCO' . . . 53126 1 5 '3D HN(CA)CO' . . . 53126 1 6 '3D HBHANH' . . . 53126 1 7 '3D HBHA(CO)NH' . . . 53126 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 53126 1 2 $software_2 . . 53126 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 1 1 MET H H 1 8.327 0.002 . 1 . . . . . 1 MET H . 53126 1 2 . 1 . 1 1 1 MET HA H 1 4.565 0.000 . 1 . . . . . 1 MET HA . 53126 1 3 . 1 . 1 1 1 MET HB2 H 1 2.638 0.000 . 1 . . . . . 1 MET HB2 . 53126 1 4 . 1 . 1 1 1 MET C C 13 174.631 0.000 . 1 . . . . . 1 MET C . 53126 1 5 . 1 . 1 1 1 MET CA C 13 52.543 0.000 . 1 . . . . . 1 MET CA . 53126 1 6 . 1 . 1 1 1 MET CB C 13 31.368 0.000 . 1 . . . . . 1 MET CB . 53126 1 7 . 1 . 1 1 1 MET N N 15 120.710 0.033 . 1 . . . . . 1 MET N . 53126 1 8 . 1 . 1 2 2 PRO HA H 1 4.474 0.000 . 1 . . . . . 2 PRO HA . 53126 1 9 . 1 . 1 2 2 PRO HB2 H 1 1.967 0.000 . 2 . . . . . 2 PRO HB2 . 53126 1 10 . 1 . 1 2 2 PRO HB3 H 1 2.435 0.000 . 2 . . . . . 2 PRO HB3 . 53126 1 11 . 1 . 1 2 2 PRO C C 13 175.095 0.004 . 1 . . . . . 2 PRO C . 53126 1 12 . 1 . 1 2 2 PRO CA C 13 63.147 0.000 . 1 . . . . . 2 PRO CA . 53126 1 13 . 1 . 1 2 2 PRO CB C 13 30.613 0.000 . 1 . . . . . 2 PRO CB . 53126 1 14 . 1 . 1 3 3 ARG H H 1 8.020 0.007 . 1 . . . . . 3 ARG H . 53126 1 15 . 1 . 1 3 3 ARG HA H 1 5.343 0.000 . 1 . . . . . 3 ARG HA . 53126 1 16 . 1 . 1 3 3 ARG HB2 H 1 1.862 0.041 . 1 . . . . . 3 ARG HB2 . 53126 1 17 . 1 . 1 3 3 ARG C C 13 175.478 0.008 . 1 . . . . . 3 ARG C . 53126 1 18 . 1 . 1 3 3 ARG CA C 13 55.106 0.014 . 1 . . . . . 3 ARG CA . 53126 1 19 . 1 . 1 3 3 ARG CB C 13 31.977 0.032 . 1 . . . . . 3 ARG CB . 53126 1 20 . 1 . 1 3 3 ARG N N 15 122.437 0.073 . 1 . . . . . 3 ARG N . 53126 1 21 . 1 . 1 4 4 VAL H H 1 9.575 0.007 . 1 . . . . . 4 VAL H . 53126 1 22 . 1 . 1 4 4 VAL HA H 1 4.699 0.017 . 1 . . . . . 4 VAL HA . 53126 1 23 . 1 . 1 4 4 VAL HB H 1 1.971 0.000 . 1 . . . . . 4 VAL HB . 53126 1 24 . 1 . 1 4 4 VAL C C 13 173.937 0.016 . 1 . . . . . 4 VAL C . 53126 1 25 . 1 . 1 4 4 VAL CA C 13 60.917 0.005 . 1 . . . . . 4 VAL CA . 53126 1 26 . 1 . 1 4 4 VAL CB C 13 35.046 0.016 . 1 . . . . . 4 VAL CB . 53126 1 27 . 1 . 1 4 4 VAL N N 15 126.085 0.065 . 1 . . . . . 4 VAL N . 53126 1 28 . 1 . 1 5 5 TYR H H 1 9.476 0.003 . 1 . . . . . 5 TYR H . 53126 1 29 . 1 . 1 5 5 TYR HA H 1 4.948 0.000 . 1 . . . . . 5 TYR HA . 53126 1 30 . 1 . 1 5 5 TYR C C 13 172.996 0.005 . 1 . . . . . 5 TYR C . 53126 1 31 . 1 . 1 5 5 TYR CA C 13 56.119 0.024 . 1 . . . . . 5 TYR CA . 53126 1 32 . 1 . 1 5 5 TYR CB C 13 40.095 0.000 . 1 . . . . . 5 TYR CB . 53126 1 33 . 1 . 1 5 5 TYR N N 15 127.908 0.035 . 1 . . . . . 5 TYR N . 53126 1 34 . 1 . 1 6 6 ILE H H 1 8.170 0.003 . 1 . . . . . 6 ILE H . 53126 1 35 . 1 . 1 6 6 ILE HA H 1 5.467 0.000 . 1 . . . . . 6 ILE HA . 53126 1 36 . 1 . 1 6 6 ILE HB H 1 1.434 0.003 . 1 . . . . . 6 ILE HB . 53126 1 37 . 1 . 1 6 6 ILE C C 13 173.427 0.019 . 1 . . . . . 6 ILE C . 53126 1 38 . 1 . 1 6 6 ILE CA C 13 57.148 0.002 . 1 . . . . . 6 ILE CA . 53126 1 39 . 1 . 1 6 6 ILE CB C 13 40.128 0.011 . 1 . . . . . 6 ILE CB . 53126 1 40 . 1 . 1 6 6 ILE N N 15 125.197 0.028 . 1 . . . . . 6 ILE N . 53126 1 41 . 1 . 1 7 7 GLY H H 1 8.952 0.011 . 1 . . . . . 7 GLY H . 53126 1 42 . 1 . 1 7 7 GLY HA2 H 1 3.506 0.011 . 2 . . . . . 7 GLY HA2 . 53126 1 43 . 1 . 1 7 7 GLY HA3 H 1 4.546 0.005 . 2 . . . . . 7 GLY HA3 . 53126 1 44 . 1 . 1 7 7 GLY C C 13 172.854 0.002 . 1 . . . . . 7 GLY C . 53126 1 45 . 1 . 1 7 7 GLY CA C 13 42.737 0.002 . 1 . . . . . 7 GLY CA . 53126 1 46 . 1 . 1 7 7 GLY N N 15 111.469 0.071 . 1 . . . . . 7 GLY N . 53126 1 47 . 1 . 1 8 8 ARG H H 1 8.209 0.012 . 1 . . . . . 8 ARG H . 53126 1 48 . 1 . 1 8 8 ARG HA H 1 3.736 0.011 . 1 . . . . . 8 ARG HA . 53126 1 49 . 1 . 1 8 8 ARG HB2 H 1 2.153 0.000 . 1 . . . . . 8 ARG HB2 . 53126 1 50 . 1 . 1 8 8 ARG C C 13 175.419 0.011 . 1 . . . . . 8 ARG C . 53126 1 51 . 1 . 1 8 8 ARG CA C 13 56.806 0.004 . 1 . . . . . 8 ARG CA . 53126 1 52 . 1 . 1 8 8 ARG CB C 13 26.711 0.025 . 1 . . . . . 8 ARG CB . 53126 1 53 . 1 . 1 8 8 ARG N N 15 112.783 0.122 . 1 . . . . . 8 ARG N . 53126 1 54 . 1 . 1 9 9 LEU H H 1 7.277 0.006 . 1 . . . . . 9 LEU H . 53126 1 55 . 1 . 1 9 9 LEU HA H 1 4.091 0.004 . 1 . . . . . 9 LEU HA . 53126 1 56 . 1 . 1 9 9 LEU HB2 H 1 1.072 0.000 . 1 . . . . . 9 LEU HB2 . 53126 1 57 . 1 . 1 9 9 LEU C C 13 178.102 0.032 . 1 . . . . . 9 LEU C . 53126 1 58 . 1 . 1 9 9 LEU CA C 13 52.899 0.008 . 1 . . . . . 9 LEU CA . 53126 1 59 . 1 . 1 9 9 LEU CB C 13 41.146 0.011 . 1 . . . . . 9 LEU CB . 53126 1 60 . 1 . 1 9 9 LEU N N 15 114.194 0.051 . 1 . . . . . 9 LEU N . 53126 1 61 . 1 . 1 10 10 SER H H 1 8.440 0.004 . 1 . . . . . 10 SER H . 53126 1 62 . 1 . 1 10 10 SER HA H 1 4.331 0.001 . 1 . . . . . 10 SER HA . 53126 1 63 . 1 . 1 10 10 SER HB2 H 1 3.729 0.019 . 1 . . . . . 10 SER HB2 . 53126 1 64 . 1 . 1 10 10 SER C C 13 176.175 0.007 . 1 . . . . . 10 SER C . 53126 1 65 . 1 . 1 10 10 SER CA C 13 57.062 0.009 . 1 . . . . . 10 SER CA . 53126 1 66 . 1 . 1 10 10 SER CB C 13 63.403 0.003 . 1 . . . . . 10 SER CB . 53126 1 67 . 1 . 1 10 10 SER N N 15 118.812 0.047 . 1 . . . . . 10 SER N . 53126 1 68 . 1 . 1 11 11 TYR H H 1 8.558 0.003 . 1 . . . . . 11 TYR H . 53126 1 69 . 1 . 1 11 11 TYR HA H 1 4.367 0.017 . 1 . . . . . 11 TYR HA . 53126 1 70 . 1 . 1 11 11 TYR HB2 H 1 3.091 0.008 . 1 . . . . . 11 TYR HB2 . 53126 1 71 . 1 . 1 11 11 TYR C C 13 176.121 0.010 . 1 . . . . . 11 TYR C . 53126 1 72 . 1 . 1 11 11 TYR CA C 13 59.498 0.008 . 1 . . . . . 11 TYR CA . 53126 1 73 . 1 . 1 11 11 TYR CB C 13 36.814 0.007 . 1 . . . . . 11 TYR CB . 53126 1 74 . 1 . 1 11 11 TYR N N 15 123.117 0.038 . 1 . . . . . 11 TYR N . 53126 1 75 . 1 . 1 12 12 ASN H H 1 7.931 0.003 . 1 . . . . . 12 ASN H . 53126 1 76 . 1 . 1 12 12 ASN HA H 1 4.516 0.024 . 1 . . . . . 12 ASN HA . 53126 1 77 . 1 . 1 12 12 ASN HB2 H 1 2.575 0.010 . 1 . . . . . 12 ASN HB2 . 53126 1 78 . 1 . 1 12 12 ASN C C 13 175.214 0.006 . 1 . . . . . 12 ASN C . 53126 1 79 . 1 . 1 12 12 ASN CA C 13 52.609 0.009 . 1 . . . . . 12 ASN CA . 53126 1 80 . 1 . 1 12 12 ASN CB C 13 37.884 0.002 . 1 . . . . . 12 ASN CB . 53126 1 81 . 1 . 1 12 12 ASN N N 15 115.075 0.025 . 1 . . . . . 12 ASN N . 53126 1 82 . 1 . 1 13 13 VAL H H 1 7.177 0.002 . 1 . . . . . 13 VAL H . 53126 1 83 . 1 . 1 13 13 VAL HA H 1 3.739 0.002 . 1 . . . . . 13 VAL HA . 53126 1 84 . 1 . 1 13 13 VAL HB H 1 1.973 0.001 . 1 . . . . . 13 VAL HB . 53126 1 85 . 1 . 1 13 13 VAL C C 13 175.252 0.014 . 1 . . . . . 13 VAL C . 53126 1 86 . 1 . 1 13 13 VAL CA C 13 63.855 0.003 . 1 . . . . . 13 VAL CA . 53126 1 87 . 1 . 1 13 13 VAL CB C 13 30.684 0.024 . 1 . . . . . 13 VAL CB . 53126 1 88 . 1 . 1 13 13 VAL N N 15 120.368 0.041 . 1 . . . . . 13 VAL N . 53126 1 89 . 1 . 1 14 14 ARG H H 1 9.417 0.004 . 1 . . . . . 14 ARG H . 53126 1 90 . 1 . 1 14 14 ARG HA H 1 4.705 0.000 . 1 . . . . . 14 ARG HA . 53126 1 91 . 1 . 1 14 14 ARG C C 13 177.700 0.005 . 1 . . . . . 14 ARG C . 53126 1 92 . 1 . 1 14 14 ARG CA C 13 52.843 0.024 . 1 . . . . . 14 ARG CA . 53126 1 93 . 1 . 1 14 14 ARG CB C 13 31.969 0.009 . 1 . . . . . 14 ARG CB . 53126 1 94 . 1 . 1 14 14 ARG N N 15 127.525 0.050 . 1 . . . . . 14 ARG N . 53126 1 95 . 1 . 1 15 15 GLU H H 1 9.611 0.012 . 1 . . . . . 15 GLU H . 53126 1 96 . 1 . 1 15 15 GLU HA H 1 3.631 0.015 . 1 . . . . . 15 GLU HA . 53126 1 97 . 1 . 1 15 15 GLU HB2 H 1 2.060 0.011 . 1 . . . . . 15 GLU HB2 . 53126 1 98 . 1 . 1 15 15 GLU C C 13 179.283 0.026 . 1 . . . . . 15 GLU C . 53126 1 99 . 1 . 1 15 15 GLU CA C 13 61.687 0.002 . 1 . . . . . 15 GLU CA . 53126 1 100 . 1 . 1 15 15 GLU CB C 13 27.744 0.002 . 1 . . . . . 15 GLU CB . 53126 1 101 . 1 . 1 15 15 GLU N N 15 123.908 0.059 . 1 . . . . . 15 GLU N . 53126 1 102 . 1 . 1 16 16 LYS H H 1 8.696 0.002 . 1 . . . . . 16 LYS H . 53126 1 103 . 1 . 1 16 16 LYS HA H 1 4.162 0.018 . 1 . . . . . 16 LYS HA . 53126 1 104 . 1 . 1 16 16 LYS HB2 H 1 1.815 0.007 . 1 . . . . . 16 LYS HB2 . 53126 1 105 . 1 . 1 16 16 LYS C C 13 178.957 0.022 . 1 . . . . . 16 LYS C . 53126 1 106 . 1 . 1 16 16 LYS CA C 13 58.557 0.000 . 1 . . . . . 16 LYS CA . 53126 1 107 . 1 . 1 16 16 LYS CB C 13 30.956 0.014 . 1 . . . . . 16 LYS CB . 53126 1 108 . 1 . 1 16 16 LYS N N 15 115.953 0.022 . 1 . . . . . 16 LYS N . 53126 1 109 . 1 . 1 17 17 ASP H H 1 7.389 0.005 . 1 . . . . . 17 ASP H . 53126 1 110 . 1 . 1 17 17 ASP HA H 1 4.434 0.015 . 1 . . . . . 17 ASP HA . 53126 1 111 . 1 . 1 17 17 ASP HB2 H 1 2.605 0.014 . 2 . . . . . 17 ASP HB2 . 53126 1 112 . 1 . 1 17 17 ASP HB3 H 1 2.956 0.013 . 2 . . . . . 17 ASP HB3 . 53126 1 113 . 1 . 1 17 17 ASP C C 13 178.493 0.011 . 1 . . . . . 17 ASP C . 53126 1 114 . 1 . 1 17 17 ASP CA C 13 56.908 0.009 . 1 . . . . . 17 ASP CA . 53126 1 115 . 1 . 1 17 17 ASP CB C 13 41.208 0.027 . 1 . . . . . 17 ASP CB . 53126 1 116 . 1 . 1 17 17 ASP N N 15 117.584 0.042 . 1 . . . . . 17 ASP N . 53126 1 117 . 1 . 1 18 18 ILE H H 1 7.415 0.004 . 1 . . . . . 18 ILE H . 53126 1 118 . 1 . 1 18 18 ILE HA H 1 3.635 0.000 . 1 . . . . . 18 ILE HA . 53126 1 119 . 1 . 1 18 18 ILE HB H 1 2.273 0.000 . 1 . . . . . 18 ILE HB . 53126 1 120 . 1 . 1 18 18 ILE C C 13 177.615 0.040 . 1 . . . . . 18 ILE C . 53126 1 121 . 1 . 1 18 18 ILE CA C 13 62.422 0.017 . 1 . . . . . 18 ILE CA . 53126 1 122 . 1 . 1 18 18 ILE CB C 13 35.103 0.001 . 1 . . . . . 18 ILE CB . 53126 1 123 . 1 . 1 18 18 ILE N N 15 120.251 0.053 . 1 . . . . . 18 ILE N . 53126 1 124 . 1 . 1 19 19 GLN H H 1 8.343 0.008 . 1 . . . . . 19 GLN H . 53126 1 125 . 1 . 1 19 19 GLN HA H 1 3.887 0.004 . 1 . . . . . 19 GLN HA . 53126 1 126 . 1 . 1 19 19 GLN HB2 H 1 2.167 0.000 . 1 . . . . . 19 GLN HB2 . 53126 1 127 . 1 . 1 19 19 GLN C C 13 179.198 0.019 . 1 . . . . . 19 GLN C . 53126 1 128 . 1 . 1 19 19 GLN CA C 13 58.974 0.000 . 1 . . . . . 19 GLN CA . 53126 1 129 . 1 . 1 19 19 GLN CB C 13 27.083 0.015 . 1 . . . . . 19 GLN CB . 53126 1 130 . 1 . 1 19 19 GLN N N 15 117.795 0.017 . 1 . . . . . 19 GLN N . 53126 1 131 . 1 . 1 20 20 ARG H H 1 7.805 0.004 . 1 . . . . . 20 ARG H . 53126 1 132 . 1 . 1 20 20 ARG HA H 1 4.117 0.002 . 1 . . . . . 20 ARG HA . 53126 1 133 . 1 . 1 20 20 ARG HB2 H 1 2.066 0.015 . 1 . . . . . 20 ARG HB2 . 53126 1 134 . 1 . 1 20 20 ARG C C 13 179.540 0.006 . 1 . . . . . 20 ARG C . 53126 1 135 . 1 . 1 20 20 ARG CA C 13 58.872 0.006 . 1 . . . . . 20 ARG CA . 53126 1 136 . 1 . 1 20 20 ARG CB C 13 29.028 0.004 . 1 . . . . . 20 ARG CB . 53126 1 137 . 1 . 1 20 20 ARG N N 15 117.953 0.049 . 1 . . . . . 20 ARG N . 53126 1 138 . 1 . 1 21 21 PHE H H 1 8.281 0.003 . 1 . . . . . 21 PHE H . 53126 1 139 . 1 . 1 21 21 PHE HA H 1 4.267 0.015 . 1 . . . . . 21 PHE HA . 53126 1 140 . 1 . 1 21 21 PHE HB2 H 1 2.862 0.005 . 2 . . . . . 21 PHE HB2 . 53126 1 141 . 1 . 1 21 21 PHE HB3 H 1 3.282 0.004 . 2 . . . . . 21 PHE HB3 . 53126 1 142 . 1 . 1 21 21 PHE C C 13 176.411 0.010 . 1 . . . . . 21 PHE C . 53126 1 143 . 1 . 1 21 21 PHE CA C 13 60.581 0.015 . 1 . . . . . 21 PHE CA . 53126 1 144 . 1 . 1 21 21 PHE CB C 13 39.119 0.000 . 1 . . . . . 21 PHE CB . 53126 1 145 . 1 . 1 21 21 PHE N N 15 122.907 0.049 . 1 . . . . . 21 PHE N . 53126 1 146 . 1 . 1 22 22 PHE H H 1 7.544 0.005 . 1 . . . . . 22 PHE H . 53126 1 147 . 1 . 1 22 22 PHE HA H 1 4.603 0.013 . 1 . . . . . 22 PHE HA . 53126 1 148 . 1 . 1 22 22 PHE HB2 H 1 2.769 0.014 . 2 . . . . . 22 PHE HB2 . 53126 1 149 . 1 . 1 22 22 PHE HB3 H 1 3.725 0.000 . 2 . . . . . 22 PHE HB3 . 53126 1 150 . 1 . 1 22 22 PHE C C 13 175.887 0.004 . 1 . . . . . 22 PHE C . 53126 1 151 . 1 . 1 22 22 PHE CA C 13 58.059 0.005 . 1 . . . . . 22 PHE CA . 53126 1 152 . 1 . 1 22 22 PHE CB C 13 39.077 0.004 . 1 . . . . . 22 PHE CB . 53126 1 153 . 1 . 1 22 22 PHE N N 15 110.408 0.041 . 1 . . . . . 22 PHE N . 53126 1 154 . 1 . 1 23 23 SER H H 1 7.710 0.006 . 1 . . . . . 23 SER H . 53126 1 155 . 1 . 1 23 23 SER HA H 1 4.364 0.000 . 1 . . . . . 23 SER HA . 53126 1 156 . 1 . 1 23 23 SER HB2 H 1 4.131 0.000 . 1 . . . . . 23 SER HB2 . 53126 1 157 . 1 . 1 23 23 SER C C 13 175.826 0.010 . 1 . . . . . 23 SER C . 53126 1 158 . 1 . 1 23 23 SER CA C 13 60.692 0.000 . 1 . . . . . 23 SER CA . 53126 1 159 . 1 . 1 23 23 SER CB C 13 62.603 0.000 . 1 . . . . . 23 SER CB . 53126 1 160 . 1 . 1 23 23 SER N N 15 117.968 0.043 . 1 . . . . . 23 SER N . 53126 1 161 . 1 . 1 24 24 GLY H H 1 9.052 0.006 . 1 . . . . . 24 GLY H . 53126 1 162 . 1 . 1 24 24 GLY HA2 H 1 3.783 0.000 . 2 . . . . . 24 GLY HA2 . 53126 1 163 . 1 . 1 24 24 GLY HA3 H 1 4.093 0.008 . 2 . . . . . 24 GLY HA3 . 53126 1 164 . 1 . 1 24 24 GLY C C 13 174.743 0.008 . 1 . . . . . 24 GLY C . 53126 1 165 . 1 . 1 24 24 GLY CA C 13 44.858 0.005 . 1 . . . . . 24 GLY CA . 53126 1 166 . 1 . 1 24 24 GLY N N 15 113.279 0.033 . 1 . . . . . 24 GLY N . 53126 1 167 . 1 . 1 25 25 TYR H H 1 8.044 0.001 . 1 . . . . . 25 TYR H . 53126 1 168 . 1 . 1 25 25 TYR HA H 1 4.429 0.000 . 1 . . . . . 25 TYR HA . 53126 1 169 . 1 . 1 25 25 TYR HB2 H 1 3.217 0.000 . 1 . . . . . 25 TYR HB2 . 53126 1 170 . 1 . 1 25 25 TYR C C 13 173.777 0.002 . 1 . . . . . 25 TYR C . 53126 1 171 . 1 . 1 25 25 TYR CA C 13 57.876 0.004 . 1 . . . . . 25 TYR CA . 53126 1 172 . 1 . 1 25 25 TYR CB C 13 37.010 0.005 . 1 . . . . . 25 TYR CB . 53126 1 173 . 1 . 1 25 25 TYR N N 15 120.145 0.073 . 1 . . . . . 25 TYR N . 53126 1 174 . 1 . 1 26 26 GLY H H 1 7.628 0.008 . 1 . . . . . 26 GLY H . 53126 1 175 . 1 . 1 26 26 GLY HA2 H 1 3.708 0.000 . 2 . . . . . 26 GLY HA2 . 53126 1 176 . 1 . 1 26 26 GLY HA3 H 1 4.393 0.000 . 2 . . . . . 26 GLY HA3 . 53126 1 177 . 1 . 1 26 26 GLY C C 13 173.613 0.009 . 1 . . . . . 26 GLY C . 53126 1 178 . 1 . 1 26 26 GLY CA C 13 44.836 0.003 . 1 . . . . . 26 GLY CA . 53126 1 179 . 1 . 1 26 26 GLY N N 15 103.673 0.043 . 1 . . . . . 26 GLY N . 53126 1 180 . 1 . 1 27 27 ARG H H 1 8.489 0.004 . 1 . . . . . 27 ARG H . 53126 1 181 . 1 . 1 27 27 ARG HA H 1 4.262 0.000 . 1 . . . . . 27 ARG HA . 53126 1 182 . 1 . 1 27 27 ARG HB2 H 1 1.730 0.000 . 1 . . . . . 27 ARG HB2 . 53126 1 183 . 1 . 1 27 27 ARG C C 13 175.701 0.006 . 1 . . . . . 27 ARG C . 53126 1 184 . 1 . 1 27 27 ARG CA C 13 56.005 0.003 . 1 . . . . . 27 ARG CA . 53126 1 185 . 1 . 1 27 27 ARG CB C 13 30.725 0.005 . 1 . . . . . 27 ARG CB . 53126 1 186 . 1 . 1 27 27 ARG N N 15 120.659 0.029 . 1 . . . . . 27 ARG N . 53126 1 187 . 1 . 1 28 28 LEU H H 1 8.565 0.006 . 1 . . . . . 28 LEU H . 53126 1 188 . 1 . 1 28 28 LEU HA H 1 4.369 0.000 . 1 . . . . . 28 LEU HA . 53126 1 189 . 1 . 1 28 28 LEU HB2 H 1 1.696 0.000 . 1 . . . . . 28 LEU HB2 . 53126 1 190 . 1 . 1 28 28 LEU C C 13 177.409 0.003 . 1 . . . . . 28 LEU C . 53126 1 191 . 1 . 1 28 28 LEU CA C 13 52.998 0.003 . 1 . . . . . 28 LEU CA . 53126 1 192 . 1 . 1 28 28 LEU CB C 13 40.693 0.009 . 1 . . . . . 28 LEU CB . 53126 1 193 . 1 . 1 28 28 LEU N N 15 124.259 0.040 . 1 . . . . . 28 LEU N . 53126 1 194 . 1 . 1 29 29 LEU H H 1 8.915 0.005 . 1 . . . . . 29 LEU H . 53126 1 195 . 1 . 1 29 29 LEU HA H 1 4.281 0.000 . 1 . . . . . 29 LEU HA . 53126 1 196 . 1 . 1 29 29 LEU HB2 H 1 1.422 0.000 . 1 . . . . . 29 LEU HB2 . 53126 1 197 . 1 . 1 29 29 LEU C C 13 177.194 0.000 . 1 . . . . . 29 LEU C . 53126 1 198 . 1 . 1 29 29 LEU CA C 13 55.034 0.000 . 1 . . . . . 29 LEU CA . 53126 1 199 . 1 . 1 29 29 LEU CB C 13 41.963 0.059 . 1 . . . . . 29 LEU CB . 53126 1 200 . 1 . 1 29 29 LEU N N 15 123.282 0.054 . 1 . . . . . 29 LEU N . 53126 1 201 . 1 . 1 30 30 GLU H H 1 7.123 0.006 . 1 . . . . . 30 GLU H . 53126 1 202 . 1 . 1 30 30 GLU HA H 1 4.428 0.000 . 1 . . . . . 30 GLU HA . 53126 1 203 . 1 . 1 30 30 GLU HB2 H 1 1.851 0.000 . 1 . . . . . 30 GLU HB2 . 53126 1 204 . 1 . 1 30 30 GLU C C 13 174.152 0.009 . 1 . . . . . 30 GLU C . 53126 1 205 . 1 . 1 30 30 GLU CA C 13 55.538 0.001 . 1 . . . . . 30 GLU CA . 53126 1 206 . 1 . 1 30 30 GLU CB C 13 32.675 0.015 . 1 . . . . . 30 GLU CB . 53126 1 207 . 1 . 1 30 30 GLU N N 15 115.033 0.032 . 1 . . . . . 30 GLU N . 53126 1 208 . 1 . 1 31 31 VAL H H 1 8.474 0.003 . 1 . . . . . 31 VAL H . 53126 1 209 . 1 . 1 31 31 VAL HA H 1 4.338 0.017 . 1 . . . . . 31 VAL HA . 53126 1 210 . 1 . 1 31 31 VAL HB H 1 2.019 0.000 . 1 . . . . . 31 VAL HB . 53126 1 211 . 1 . 1 31 31 VAL C C 13 173.697 0.013 . 1 . . . . . 31 VAL C . 53126 1 212 . 1 . 1 31 31 VAL CA C 13 61.830 0.011 . 1 . . . . . 31 VAL CA . 53126 1 213 . 1 . 1 31 31 VAL CB C 13 33.159 0.044 . 1 . . . . . 31 VAL CB . 53126 1 214 . 1 . 1 31 31 VAL N N 15 123.608 0.023 . 1 . . . . . 31 VAL N . 53126 1 215 . 1 . 1 32 32 ASP H H 1 9.229 0.003 . 1 . . . . . 32 ASP H . 53126 1 216 . 1 . 1 32 32 ASP HA H 1 4.916 0.000 . 1 . . . . . 32 ASP HA . 53126 1 217 . 1 . 1 32 32 ASP HB2 H 1 2.481 0.000 . 2 . . . . . 32 ASP HB2 . 53126 1 218 . 1 . 1 32 32 ASP HB3 H 1 3.018 0.000 . 2 . . . . . 32 ASP HB3 . 53126 1 219 . 1 . 1 32 32 ASP C C 13 174.428 0.025 . 1 . . . . . 32 ASP C . 53126 1 220 . 1 . 1 32 32 ASP CA C 13 52.084 0.006 . 1 . . . . . 32 ASP CA . 53126 1 221 . 1 . 1 32 32 ASP CB C 13 41.712 0.000 . 1 . . . . . 32 ASP CB . 53126 1 222 . 1 . 1 32 32 ASP N N 15 128.859 0.026 . 1 . . . . . 32 ASP N . 53126 1 223 . 1 . 1 33 33 LEU H H 1 8.698 0.003 . 1 . . . . . 33 LEU H . 53126 1 224 . 1 . 1 33 33 LEU HA H 1 4.243 0.000 . 1 . . . . . 33 LEU HA . 53126 1 225 . 1 . 1 33 33 LEU HB2 H 1 1.305 0.005 . 2 . . . . . 33 LEU HB2 . 53126 1 226 . 1 . 1 33 33 LEU HB3 H 1 1.690 0.007 . 2 . . . . . 33 LEU HB3 . 53126 1 227 . 1 . 1 33 33 LEU C C 13 176.036 0.013 . 1 . . . . . 33 LEU C . 53126 1 228 . 1 . 1 33 33 LEU CA C 13 54.988 0.009 . 1 . . . . . 33 LEU CA . 53126 1 229 . 1 . 1 33 33 LEU CB C 13 41.923 0.045 . 1 . . . . . 33 LEU CB . 53126 1 230 . 1 . 1 33 33 LEU N N 15 124.640 0.041 . 1 . . . . . 33 LEU N . 53126 1 231 . 1 . 1 34 34 LYS H H 1 8.387 0.004 . 1 . . . . . 34 LYS H . 53126 1 232 . 1 . 1 34 34 LYS HA H 1 4.510 0.000 . 1 . . . . . 34 LYS HA . 53126 1 233 . 1 . 1 34 34 LYS HB2 H 1 1.513 0.000 . 1 . . . . . 34 LYS HB2 . 53126 1 234 . 1 . 1 34 34 LYS C C 13 174.760 0.012 . 1 . . . . . 34 LYS C . 53126 1 235 . 1 . 1 34 34 LYS CA C 13 53.139 0.014 . 1 . . . . . 34 LYS CA . 53126 1 236 . 1 . 1 34 34 LYS CB C 13 29.255 0.008 . 1 . . . . . 34 LYS CB . 53126 1 237 . 1 . 1 34 34 LYS N N 15 126.772 0.057 . 1 . . . . . 34 LYS N . 53126 1 238 . 1 . 1 35 35 ASN H H 1 7.551 0.008 . 1 . . . . . 35 ASN H . 53126 1 239 . 1 . 1 35 35 ASN HA H 1 4.833 0.000 . 1 . . . . . 35 ASN HA . 53126 1 240 . 1 . 1 35 35 ASN HB2 H 1 2.827 0.000 . 1 . . . . . 35 ASN HB2 . 53126 1 241 . 1 . 1 35 35 ASN C C 13 174.517 0.020 . 1 . . . . . 35 ASN C . 53126 1 242 . 1 . 1 35 35 ASN CA C 13 52.586 0.006 . 1 . . . . . 35 ASN CA . 53126 1 243 . 1 . 1 35 35 ASN CB C 13 36.770 0.004 . 1 . . . . . 35 ASN CB . 53126 1 244 . 1 . 1 35 35 ASN N N 15 117.417 0.035 . 1 . . . . . 35 ASN N . 53126 1 245 . 1 . 1 36 36 GLY H H 1 8.670 0.001 . 1 . . . . . 36 GLY H . 53126 1 246 . 1 . 1 36 36 GLY HA2 H 1 3.876 0.000 . 2 . . . . . 36 GLY HA2 . 53126 1 247 . 1 . 1 36 36 GLY HA3 H 1 4.423 0.000 . 2 . . . . . 36 GLY HA3 . 53126 1 248 . 1 . 1 36 36 GLY C C 13 173.142 0.028 . 1 . . . . . 36 GLY C . 53126 1 249 . 1 . 1 36 36 GLY CA C 13 44.846 0.011 . 1 . . . . . 36 GLY CA . 53126 1 250 . 1 . 1 36 36 GLY N N 15 112.441 0.035 . 1 . . . . . 36 GLY N . 53126 1 251 . 1 . 1 37 37 TYR H H 1 7.287 0.007 . 1 . . . . . 37 TYR H . 53126 1 252 . 1 . 1 37 37 TYR HA H 1 4.896 0.000 . 1 . . . . . 37 TYR HA . 53126 1 253 . 1 . 1 37 37 TYR HB2 H 1 2.873 0.000 . 2 . . . . . 37 TYR HB2 . 53126 1 254 . 1 . 1 37 37 TYR HB3 H 1 3.297 0.000 . 2 . . . . . 37 TYR HB3 . 53126 1 255 . 1 . 1 37 37 TYR C C 13 172.097 0.006 . 1 . . . . . 37 TYR C . 53126 1 256 . 1 . 1 37 37 TYR CA C 13 54.961 0.043 . 1 . . . . . 37 TYR CA . 53126 1 257 . 1 . 1 37 37 TYR CB C 13 38.172 0.000 . 1 . . . . . 37 TYR CB . 53126 1 258 . 1 . 1 37 37 TYR N N 15 115.723 0.039 . 1 . . . . . 37 TYR N . 53126 1 259 . 1 . 1 38 38 GLY H H 1 8.905 0.008 . 1 . . . . . 38 GLY H . 53126 1 260 . 1 . 1 38 38 GLY HA2 H 1 3.623 0.000 . 2 . . . . . 38 GLY HA2 . 53126 1 261 . 1 . 1 38 38 GLY HA3 H 1 4.039 0.000 . 2 . . . . . 38 GLY HA3 . 53126 1 262 . 1 . 1 38 38 GLY C C 13 169.390 0.007 . 1 . . . . . 38 GLY C . 53126 1 263 . 1 . 1 38 38 GLY CA C 13 44.747 0.002 . 1 . . . . . 38 GLY CA . 53126 1 264 . 1 . 1 38 38 GLY N N 15 105.672 0.094 . 1 . . . . . 38 GLY N . 53126 1 265 . 1 . 1 39 39 PHE H H 1 8.764 0.003 . 1 . . . . . 39 PHE H . 53126 1 266 . 1 . 1 39 39 PHE HA H 1 5.950 0.000 . 1 . . . . . 39 PHE HA . 53126 1 267 . 1 . 1 39 39 PHE HB2 H 1 2.913 0.000 . 1 . . . . . 39 PHE HB2 . 53126 1 268 . 1 . 1 39 39 PHE C C 13 175.467 0.000 . 1 . . . . . 39 PHE C . 53126 1 269 . 1 . 1 39 39 PHE CA C 13 55.513 0.013 . 1 . . . . . 39 PHE CA . 53126 1 270 . 1 . 1 39 39 PHE CB C 13 43.435 0.014 . 1 . . . . . 39 PHE CB . 53126 1 271 . 1 . 1 39 39 PHE N N 15 114.342 0.052 . 1 . . . . . 39 PHE N . 53126 1 272 . 1 . 1 40 40 VAL H H 1 9.239 0.006 . 1 . . . . . 40 VAL H . 53126 1 273 . 1 . 1 40 40 VAL HA H 1 4.881 0.000 . 1 . . . . . 40 VAL HA . 53126 1 274 . 1 . 1 40 40 VAL HB H 1 1.569 0.000 . 1 . . . . . 40 VAL HB . 53126 1 275 . 1 . 1 40 40 VAL C C 13 174.140 0.006 . 1 . . . . . 40 VAL C . 53126 1 276 . 1 . 1 40 40 VAL CA C 13 58.764 0.001 . 1 . . . . . 40 VAL CA . 53126 1 277 . 1 . 1 40 40 VAL CB C 13 34.206 0.041 . 1 . . . . . 40 VAL CB . 53126 1 278 . 1 . 1 40 40 VAL N N 15 116.147 0.038 . 1 . . . . . 40 VAL N . 53126 1 279 . 1 . 1 41 41 GLU H H 1 8.139 0.005 . 1 . . . . . 41 GLU H . 53126 1 280 . 1 . 1 41 41 GLU HA H 1 5.102 0.000 . 1 . . . . . 41 GLU HA . 53126 1 281 . 1 . 1 41 41 GLU HB2 H 1 1.667 0.000 . 2 . . . . . 41 GLU HB2 . 53126 1 282 . 1 . 1 41 41 GLU HB3 H 1 1.850 0.000 . 2 . . . . . 41 GLU HB3 . 53126 1 283 . 1 . 1 41 41 GLU C C 13 175.404 0.000 . 1 . . . . . 41 GLU C . 53126 1 284 . 1 . 1 41 41 GLU CA C 13 54.317 0.004 . 1 . . . . . 41 GLU CA . 53126 1 285 . 1 . 1 41 41 GLU CB C 13 31.995 0.005 . 1 . . . . . 41 GLU CB . 53126 1 286 . 1 . 1 41 41 GLU N N 15 122.948 0.051 . 1 . . . . . 41 GLU N . 53126 1 287 . 1 . 1 42 42 PHE H H 1 8.690 0.001 . 1 . . . . . 42 PHE H . 53126 1 288 . 1 . 1 42 42 PHE HA H 1 4.692 0.000 . 1 . . . . . 42 PHE HA . 53126 1 289 . 1 . 1 42 42 PHE HB2 H 1 2.730 0.000 . 2 . . . . . 42 PHE HB2 . 53126 1 290 . 1 . 1 42 42 PHE HB3 H 1 3.487 0.000 . 2 . . . . . 42 PHE HB3 . 53126 1 291 . 1 . 1 42 42 PHE C C 13 174.948 0.008 . 1 . . . . . 42 PHE C . 53126 1 292 . 1 . 1 42 42 PHE CA C 13 57.406 0.000 . 1 . . . . . 42 PHE CA . 53126 1 293 . 1 . 1 42 42 PHE CB C 13 40.605 0.000 . 1 . . . . . 42 PHE CB . 53126 1 294 . 1 . 1 42 42 PHE N N 15 125.690 0.072 . 1 . . . . . 42 PHE N . 53126 1 295 . 1 . 1 43 43 GLU H H 1 8.269 0.005 . 1 . . . . . 43 GLU H . 53126 1 296 . 1 . 1 43 43 GLU HA H 1 4.102 0.033 . 1 . . . . . 43 GLU HA . 53126 1 297 . 1 . 1 43 43 GLU HB2 H 1 1.880 0.000 . 2 . . . . . 43 GLU HB2 . 53126 1 298 . 1 . 1 43 43 GLU HB3 H 1 2.299 0.004 . 2 . . . . . 43 GLU HB3 . 53126 1 299 . 1 . 1 43 43 GLU C C 13 175.674 0.002 . 1 . . . . . 43 GLU C . 53126 1 300 . 1 . 1 43 43 GLU CA C 13 58.535 0.007 . 1 . . . . . 43 GLU CA . 53126 1 301 . 1 . 1 43 43 GLU CB C 13 29.938 0.004 . 1 . . . . . 43 GLU CB . 53126 1 302 . 1 . 1 43 43 GLU N N 15 119.329 0.086 . 1 . . . . . 43 GLU N . 53126 1 303 . 1 . 1 44 44 ASP H H 1 8.909 0.007 . 1 . . . . . 44 ASP H . 53126 1 304 . 1 . 1 44 44 ASP HA H 1 5.032 0.000 . 1 . . . . . 44 ASP HA . 53126 1 305 . 1 . 1 44 44 ASP HB2 H 1 3.208 0.000 . 2 . . . . . 44 ASP HB2 . 53126 1 306 . 1 . 1 44 44 ASP HB3 H 1 2.531 0.000 . 2 . . . . . 44 ASP HB3 . 53126 1 307 . 1 . 1 44 44 ASP C C 13 177.485 0.011 . 1 . . . . . 44 ASP C . 53126 1 308 . 1 . 1 44 44 ASP CA C 13 52.073 0.007 . 1 . . . . . 44 ASP CA . 53126 1 309 . 1 . 1 44 44 ASP CB C 13 43.854 0.004 . 1 . . . . . 44 ASP CB . 53126 1 310 . 1 . 1 44 44 ASP N N 15 118.275 0.069 . 1 . . . . . 44 ASP N . 53126 1 311 . 1 . 1 45 45 SER H H 1 9.232 0.005 . 1 . . . . . 45 SER H . 53126 1 312 . 1 . 1 45 45 SER HA H 1 5.120 0.000 . 1 . . . . . 45 SER HA . 53126 1 313 . 1 . 1 45 45 SER C C 13 175.625 0.000 . 1 . . . . . 45 SER C . 53126 1 314 . 1 . 1 45 45 SER CA C 13 61.737 0.021 . 1 . . . . . 45 SER CA . 53126 1 315 . 1 . 1 45 45 SER N N 15 123.395 0.078 . 1 . . . . . 45 SER N . 53126 1 316 . 1 . 1 46 46 ARG H H 1 8.965 0.001 . 1 . . . . . 46 ARG H . 53126 1 317 . 1 . 1 46 46 ARG HA H 1 4.132 0.000 . 1 . . . . . 46 ARG HA . 53126 1 318 . 1 . 1 46 46 ARG HB2 H 1 1.823 0.000 . 1 . . . . . 46 ARG HB2 . 53126 1 319 . 1 . 1 46 46 ARG C C 13 179.111 0.024 . 1 . . . . . 46 ARG C . 53126 1 320 . 1 . 1 46 46 ARG CA C 13 58.571 0.016 . 1 . . . . . 46 ARG CA . 53126 1 321 . 1 . 1 46 46 ARG CB C 13 28.546 0.004 . 1 . . . . . 46 ARG CB . 53126 1 322 . 1 . 1 46 46 ARG N N 15 123.146 0.021 . 1 . . . . . 46 ARG N . 53126 1 323 . 1 . 1 47 47 ASP H H 1 7.197 0.003 . 1 . . . . . 47 ASP H . 53126 1 324 . 1 . 1 47 47 ASP HA H 1 4.342 0.000 . 1 . . . . . 47 ASP HA . 53126 1 325 . 1 . 1 47 47 ASP HB2 H 1 2.946 0.000 . 1 . . . . . 47 ASP HB2 . 53126 1 326 . 1 . 1 47 47 ASP C C 13 177.119 0.023 . 1 . . . . . 47 ASP C . 53126 1 327 . 1 . 1 47 47 ASP CA C 13 56.865 0.010 . 1 . . . . . 47 ASP CA . 53126 1 328 . 1 . 1 47 47 ASP CB C 13 40.095 0.028 . 1 . . . . . 47 ASP CB . 53126 1 329 . 1 . 1 47 47 ASP N N 15 118.569 0.045 . 1 . . . . . 47 ASP N . 53126 1 330 . 1 . 1 48 48 ALA H H 1 6.600 0.005 . 1 . . . . . 48 ALA H . 53126 1 331 . 1 . 1 48 48 ALA HA H 1 2.679 0.000 . 1 . . . . . 48 ALA HA . 53126 1 332 . 1 . 1 48 48 ALA HB1 H 1 1.242 0.000 . 1 . . . . . 48 ALA HB1 . 53126 1 333 . 1 . 1 48 48 ALA HB2 H 1 1.242 0.000 . 1 . . . . . 48 ALA HB2 . 53126 1 334 . 1 . 1 48 48 ALA HB3 H 1 1.242 0.000 . 1 . . . . . 48 ALA HB3 . 53126 1 335 . 1 . 1 48 48 ALA C C 13 178.457 0.013 . 1 . . . . . 48 ALA C . 53126 1 336 . 1 . 1 48 48 ALA CA C 13 54.026 0.004 . 1 . . . . . 48 ALA CA . 53126 1 337 . 1 . 1 48 48 ALA CB C 13 17.555 0.016 . 1 . . . . . 48 ALA CB . 53126 1 338 . 1 . 1 48 48 ALA N N 15 120.381 0.042 . 1 . . . . . 48 ALA N . 53126 1 339 . 1 . 1 49 49 ASP H H 1 7.915 0.008 . 1 . . . . . 49 ASP H . 53126 1 340 . 1 . 1 49 49 ASP HA H 1 4.252 0.000 . 1 . . . . . 49 ASP HA . 53126 1 341 . 1 . 1 49 49 ASP HB2 H 1 2.844 0.000 . 1 . . . . . 49 ASP HB2 . 53126 1 342 . 1 . 1 49 49 ASP C C 13 179.051 0.022 . 1 . . . . . 49 ASP C . 53126 1 343 . 1 . 1 49 49 ASP CA C 13 57.196 0.000 . 1 . . . . . 49 ASP CA . 53126 1 344 . 1 . 1 49 49 ASP CB C 13 39.846 0.000 . 1 . . . . . 49 ASP CB . 53126 1 345 . 1 . 1 49 49 ASP N N 15 115.779 0.030 . 1 . . . . . 49 ASP N . 53126 1 346 . 1 . 1 50 50 ASP H H 1 7.772 0.004 . 1 . . . . . 50 ASP H . 53126 1 347 . 1 . 1 50 50 ASP HA H 1 4.510 0.000 . 1 . . . . . 50 ASP HA . 53126 1 348 . 1 . 1 50 50 ASP HB2 H 1 2.784 0.000 . 1 . . . . . 50 ASP HB2 . 53126 1 349 . 1 . 1 50 50 ASP C C 13 177.248 0.006 . 1 . . . . . 50 ASP C . 53126 1 350 . 1 . 1 50 50 ASP CA C 13 57.143 0.027 . 1 . . . . . 50 ASP CA . 53126 1 351 . 1 . 1 50 50 ASP CB C 13 39.595 0.037 . 1 . . . . . 50 ASP CB . 53126 1 352 . 1 . 1 50 50 ASP N N 15 119.931 0.035 . 1 . . . . . 50 ASP N . 53126 1 353 . 1 . 1 51 51 ALA H H 1 8.171 0.002 . 1 . . . . . 51 ALA H . 53126 1 354 . 1 . 1 51 51 ALA HA H 1 3.243 0.000 . 1 . . . . . 51 ALA HA . 53126 1 355 . 1 . 1 51 51 ALA HB1 H 1 1.138 0.000 . 1 . . . . . 51 ALA HB1 . 53126 1 356 . 1 . 1 51 51 ALA HB2 H 1 1.138 0.000 . 1 . . . . . 51 ALA HB2 . 53126 1 357 . 1 . 1 51 51 ALA HB3 H 1 1.138 0.000 . 1 . . . . . 51 ALA HB3 . 53126 1 358 . 1 . 1 51 51 ALA C C 13 179.371 0.019 . 1 . . . . . 51 ALA C . 53126 1 359 . 1 . 1 51 51 ALA CA C 13 54.703 0.018 . 1 . . . . . 51 ALA CA . 53126 1 360 . 1 . 1 51 51 ALA CB C 13 17.679 0.021 . 1 . . . . . 51 ALA CB . 53126 1 361 . 1 . 1 51 51 ALA N N 15 122.432 0.060 . 1 . . . . . 51 ALA N . 53126 1 362 . 1 . 1 52 52 VAL H H 1 8.069 0.008 . 1 . . . . . 52 VAL H . 53126 1 363 . 1 . 1 52 52 VAL HA H 1 3.247 0.000 . 1 . . . . . 52 VAL HA . 53126 1 364 . 1 . 1 52 52 VAL HB H 1 1.803 0.000 . 1 . . . . . 52 VAL HB . 53126 1 365 . 1 . 1 52 52 VAL C C 13 178.355 0.008 . 1 . . . . . 52 VAL C . 53126 1 366 . 1 . 1 52 52 VAL CA C 13 65.982 0.026 . 1 . . . . . 52 VAL CA . 53126 1 367 . 1 . 1 52 52 VAL CB C 13 31.095 0.010 . 1 . . . . . 52 VAL CB . 53126 1 368 . 1 . 1 52 52 VAL N N 15 116.976 0.038 . 1 . . . . . 52 VAL N . 53126 1 369 . 1 . 1 53 53 TYR H H 1 7.740 0.006 . 1 . . . . . 53 TYR H . 53126 1 370 . 1 . 1 53 53 TYR HA H 1 4.237 0.000 . 1 . . . . . 53 TYR HA . 53126 1 371 . 1 . 1 53 53 TYR HB2 H 1 3.201 0.000 . 1 . . . . . 53 TYR HB2 . 53126 1 372 . 1 . 1 53 53 TYR C C 13 178.598 0.007 . 1 . . . . . 53 TYR C . 53126 1 373 . 1 . 1 53 53 TYR CA C 13 60.778 0.002 . 1 . . . . . 53 TYR CA . 53126 1 374 . 1 . 1 53 53 TYR CB C 13 38.350 0.028 . 1 . . . . . 53 TYR CB . 53126 1 375 . 1 . 1 53 53 TYR N N 15 116.651 0.019 . 1 . . . . . 53 TYR N . 53126 1 376 . 1 . 1 54 54 GLU H H 1 8.579 0.002 . 1 . . . . . 54 GLU H . 53126 1 377 . 1 . 1 54 54 GLU HA H 1 4.148 0.000 . 1 . . . . . 54 GLU HA . 53126 1 378 . 1 . 1 54 54 GLU HB2 H 1 2.051 0.000 . 1 . . . . . 54 GLU HB2 . 53126 1 379 . 1 . 1 54 54 GLU C C 13 178.802 0.033 . 1 . . . . . 54 GLU C . 53126 1 380 . 1 . 1 54 54 GLU CA C 13 58.017 0.015 . 1 . . . . . 54 GLU CA . 53126 1 381 . 1 . 1 54 54 GLU CB C 13 30.142 0.053 . 1 . . . . . 54 GLU CB . 53126 1 382 . 1 . 1 54 54 GLU N N 15 114.617 0.035 . 1 . . . . . 54 GLU N . 53126 1 383 . 1 . 1 55 55 LEU H H 1 8.388 0.005 . 1 . . . . . 55 LEU H . 53126 1 384 . 1 . 1 55 55 LEU HA H 1 4.218 0.000 . 1 . . . . . 55 LEU HA . 53126 1 385 . 1 . 1 55 55 LEU HB2 H 1 1.405 0.000 . 1 . . . . . 55 LEU HB2 . 53126 1 386 . 1 . 1 55 55 LEU C C 13 177.764 0.024 . 1 . . . . . 55 LEU C . 53126 1 387 . 1 . 1 55 55 LEU CA C 13 54.726 0.008 . 1 . . . . . 55 LEU CA . 53126 1 388 . 1 . 1 55 55 LEU CB C 13 40.627 0.060 . 1 . . . . . 55 LEU CB . 53126 1 389 . 1 . 1 55 55 LEU N N 15 115.435 0.032 . 1 . . . . . 55 LEU N . 53126 1 390 . 1 . 1 56 56 ASN H H 1 6.776 0.009 . 1 . . . . . 56 ASN H . 53126 1 391 . 1 . 1 56 56 ASN HA H 1 4.299 0.000 . 1 . . . . . 56 ASN HA . 53126 1 392 . 1 . 1 56 56 ASN HB2 H 1 3.533 0.000 . 1 . . . . . 56 ASN HB2 . 53126 1 393 . 1 . 1 56 56 ASN C C 13 176.941 0.014 . 1 . . . . . 56 ASN C . 53126 1 394 . 1 . 1 56 56 ASN CA C 13 56.174 0.013 . 1 . . . . . 56 ASN CA . 53126 1 395 . 1 . 1 56 56 ASN CB C 13 38.334 0.000 . 1 . . . . . 56 ASN CB . 53126 1 396 . 1 . 1 56 56 ASN N N 15 114.208 0.044 . 1 . . . . . 56 ASN N . 53126 1 397 . 1 . 1 57 57 GLY H H 1 8.644 0.002 . 1 . . . . . 57 GLY H . 53126 1 398 . 1 . 1 57 57 GLY HA2 H 1 3.792 0.000 . 2 . . . . . 57 GLY HA2 . 53126 1 399 . 1 . 1 57 57 GLY HA3 H 1 4.219 0.000 . 2 . . . . . 57 GLY HA3 . 53126 1 400 . 1 . 1 57 57 GLY C C 13 174.231 0.030 . 1 . . . . . 57 GLY C . 53126 1 401 . 1 . 1 57 57 GLY CA C 13 45.546 0.015 . 1 . . . . . 57 GLY CA . 53126 1 402 . 1 . 1 57 57 GLY N N 15 116.079 0.040 . 1 . . . . . 57 GLY N . 53126 1 403 . 1 . 1 58 58 LYS H H 1 7.817 0.003 . 1 . . . . . 58 LYS H . 53126 1 404 . 1 . 1 58 58 LYS HA H 1 4.415 0.000 . 1 . . . . . 58 LYS HA . 53126 1 405 . 1 . 1 58 58 LYS HB2 H 1 2.121 0.000 . 1 . . . . . 58 LYS HB2 . 53126 1 406 . 1 . 1 58 58 LYS C C 13 174.958 0.013 . 1 . . . . . 58 LYS C . 53126 1 407 . 1 . 1 58 58 LYS CA C 13 54.940 0.003 . 1 . . . . . 58 LYS CA . 53126 1 408 . 1 . 1 58 58 LYS CB C 13 31.432 0.002 . 1 . . . . . 58 LYS CB . 53126 1 409 . 1 . 1 58 58 LYS N N 15 119.882 0.046 . 1 . . . . . 58 LYS N . 53126 1 410 . 1 . 1 59 59 GLU H H 1 8.283 0.002 . 1 . . . . . 59 GLU H . 53126 1 411 . 1 . 1 59 59 GLU HA H 1 4.456 0.000 . 1 . . . . . 59 GLU HA . 53126 1 412 . 1 . 1 59 59 GLU HB2 H 1 1.788 0.000 . 1 . . . . . 59 GLU HB2 . 53126 1 413 . 1 . 1 59 59 GLU C C 13 175.929 0.009 . 1 . . . . . 59 GLU C . 53126 1 414 . 1 . 1 59 59 GLU CA C 13 56.139 0.007 . 1 . . . . . 59 GLU CA . 53126 1 415 . 1 . 1 59 59 GLU CB C 13 30.496 0.006 . 1 . . . . . 59 GLU CB . 53126 1 416 . 1 . 1 59 59 GLU N N 15 118.217 0.017 . 1 . . . . . 59 GLU N . 53126 1 417 . 1 . 1 60 60 LEU H H 1 8.797 0.002 . 1 . . . . . 60 LEU H . 53126 1 418 . 1 . 1 60 60 LEU HA H 1 4.422 0.017 . 1 . . . . . 60 LEU HA . 53126 1 419 . 1 . 1 60 60 LEU HB2 H 1 1.381 0.000 . 1 . . . . . 60 LEU HB2 . 53126 1 420 . 1 . 1 60 60 LEU C C 13 175.860 0.026 . 1 . . . . . 60 LEU C . 53126 1 421 . 1 . 1 60 60 LEU CA C 13 54.152 0.018 . 1 . . . . . 60 LEU CA . 53126 1 422 . 1 . 1 60 60 LEU CB C 13 42.852 0.025 . 1 . . . . . 60 LEU CB . 53126 1 423 . 1 . 1 60 60 LEU N N 15 125.069 0.030 . 1 . . . . . 60 LEU N . 53126 1 424 . 1 . 1 61 61 CYS H H 1 9.816 0.005 . 1 . . . . . 61 CYS H . 53126 1 425 . 1 . 1 61 61 CYS HA H 1 3.895 0.000 . 1 . . . . . 61 CYS HA . 53126 1 426 . 1 . 1 61 61 CYS HB2 H 1 2.570 0.000 . 2 . . . . . 61 CYS HB2 . 53126 1 427 . 1 . 1 61 61 CYS HB3 H 1 3.113 0.000 . 2 . . . . . 61 CYS HB3 . 53126 1 428 . 1 . 1 61 61 CYS C C 13 175.353 0.025 . 1 . . . . . 61 CYS C . 53126 1 429 . 1 . 1 61 61 CYS CA C 13 59.759 0.018 . 1 . . . . . 61 CYS CA . 53126 1 430 . 1 . 1 61 61 CYS CB C 13 25.324 0.015 . 1 . . . . . 61 CYS CB . 53126 1 431 . 1 . 1 61 61 CYS N N 15 125.034 0.039 . 1 . . . . . 61 CYS N . 53126 1 432 . 1 . 1 62 62 GLY H H 1 8.681 0.006 . 1 . . . . . 62 GLY H . 53126 1 433 . 1 . 1 62 62 GLY HA2 H 1 3.582 0.000 . 2 . . . . . 62 GLY HA2 . 53126 1 434 . 1 . 1 62 62 GLY HA3 H 1 4.143 0.000 . 2 . . . . . 62 GLY HA3 . 53126 1 435 . 1 . 1 62 62 GLY C C 13 173.628 0.006 . 1 . . . . . 62 GLY C . 53126 1 436 . 1 . 1 62 62 GLY CA C 13 44.936 0.001 . 1 . . . . . 62 GLY CA . 53126 1 437 . 1 . 1 62 62 GLY N N 15 103.093 0.070 . 1 . . . . . 62 GLY N . 53126 1 438 . 1 . 1 63 63 GLU H H 1 7.319 0.003 . 1 . . . . . 63 GLU H . 53126 1 439 . 1 . 1 63 63 GLU HA H 1 4.738 0.000 . 1 . . . . . 63 GLU HA . 53126 1 440 . 1 . 1 63 63 GLU HB2 H 1 1.683 0.000 . 2 . . . . . 63 GLU HB2 . 53126 1 441 . 1 . 1 63 63 GLU HB3 H 1 2.053 0.000 . 2 . . . . . 63 GLU HB3 . 53126 1 442 . 1 . 1 63 63 GLU C C 13 175.203 0.010 . 1 . . . . . 63 GLU C . 53126 1 443 . 1 . 1 63 63 GLU CA C 13 53.518 0.004 . 1 . . . . . 63 GLU CA . 53126 1 444 . 1 . 1 63 63 GLU CB C 13 32.139 0.008 . 1 . . . . . 63 GLU CB . 53126 1 445 . 1 . 1 63 63 GLU N N 15 118.306 0.052 . 1 . . . . . 63 GLU N . 53126 1 446 . 1 . 1 64 64 ARG H H 1 8.725 0.003 . 1 . . . . . 64 ARG H . 53126 1 447 . 1 . 1 64 64 ARG HA H 1 4.257 0.000 . 1 . . . . . 64 ARG HA . 53126 1 448 . 1 . 1 64 64 ARG HB2 H 1 1.579 0.000 . 1 . . . . . 64 ARG HB2 . 53126 1 449 . 1 . 1 64 64 ARG C C 13 176.512 0.013 . 1 . . . . . 64 ARG C . 53126 1 450 . 1 . 1 64 64 ARG CA C 13 55.741 0.002 . 1 . . . . . 64 ARG CA . 53126 1 451 . 1 . 1 64 64 ARG CB C 13 28.820 0.011 . 1 . . . . . 64 ARG CB . 53126 1 452 . 1 . 1 64 64 ARG N N 15 122.684 0.034 . 1 . . . . . 64 ARG N . 53126 1 453 . 1 . 1 65 65 VAL H H 1 8.128 0.002 . 1 . . . . . 65 VAL H . 53126 1 454 . 1 . 1 65 65 VAL HA H 1 4.540 0.000 . 1 . . . . . 65 VAL HA . 53126 1 455 . 1 . 1 65 65 VAL HB H 1 2.220 0.000 . 1 . . . . . 65 VAL HB . 53126 1 456 . 1 . 1 65 65 VAL C C 13 176.388 0.012 . 1 . . . . . 65 VAL C . 53126 1 457 . 1 . 1 65 65 VAL CA C 13 60.238 0.002 . 1 . . . . . 65 VAL CA . 53126 1 458 . 1 . 1 65 65 VAL CB C 13 32.488 0.025 . 1 . . . . . 65 VAL CB . 53126 1 459 . 1 . 1 65 65 VAL N N 15 118.625 0.036 . 1 . . . . . 65 VAL N . 53126 1 460 . 1 . 1 66 66 ILE H H 1 7.481 0.008 . 1 . . . . . 66 ILE H . 53126 1 461 . 1 . 1 66 66 ILE HA H 1 4.595 0.000 . 1 . . . . . 66 ILE HA . 53126 1 462 . 1 . 1 66 66 ILE HB H 1 1.385 0.000 . 1 . . . . . 66 ILE HB . 53126 1 463 . 1 . 1 66 66 ILE C C 13 175.233 0.029 . 1 . . . . . 66 ILE C . 53126 1 464 . 1 . 1 66 66 ILE CA C 13 58.837 0.009 . 1 . . . . . 66 ILE CA . 53126 1 465 . 1 . 1 66 66 ILE CB C 13 40.280 0.042 . 1 . . . . . 66 ILE CB . 53126 1 466 . 1 . 1 66 66 ILE N N 15 121.034 0.052 . 1 . . . . . 66 ILE N . 53126 1 467 . 1 . 1 67 67 VAL H H 1 8.812 0.003 . 1 . . . . . 67 VAL H . 53126 1 468 . 1 . 1 67 67 VAL HA H 1 5.236 0.000 . 1 . . . . . 67 VAL HA . 53126 1 469 . 1 . 1 67 67 VAL HB H 1 1.868 0.000 . 1 . . . . . 67 VAL HB . 53126 1 470 . 1 . 1 67 67 VAL C C 13 174.697 0.017 . 1 . . . . . 67 VAL C . 53126 1 471 . 1 . 1 67 67 VAL CA C 13 60.841 0.037 . 1 . . . . . 67 VAL CA . 53126 1 472 . 1 . 1 67 67 VAL CB C 13 33.050 0.021 . 1 . . . . . 67 VAL CB . 53126 1 473 . 1 . 1 67 67 VAL N N 15 125.904 0.017 . 1 . . . . . 67 VAL N . 53126 1 474 . 1 . 1 68 68 GLU H H 1 9.187 0.005 . 1 . . . . . 68 GLU H . 53126 1 475 . 1 . 1 68 68 GLU HA H 1 4.763 0.000 . 1 . . . . . 68 GLU HA . 53126 1 476 . 1 . 1 68 68 GLU HB2 H 1 2.258 0.000 . 1 . . . . . 68 GLU HB2 . 53126 1 477 . 1 . 1 68 68 GLU C C 13 175.607 0.016 . 1 . . . . . 68 GLU C . 53126 1 478 . 1 . 1 68 68 GLU CA C 13 53.912 0.011 . 1 . . . . . 68 GLU CA . 53126 1 479 . 1 . 1 68 68 GLU CB C 13 34.374 0.003 . 1 . . . . . 68 GLU CB . 53126 1 480 . 1 . 1 68 68 GLU N N 15 122.357 0.056 . 1 . . . . . 68 GLU N . 53126 1 481 . 1 . 1 69 69 HIS H H 1 8.891 0.002 . 1 . . . . . 69 HIS H . 53126 1 482 . 1 . 1 69 69 HIS HA H 1 4.455 0.000 . 1 . . . . . 69 HIS HA . 53126 1 483 . 1 . 1 69 69 HIS HB2 H 1 3.069 0.000 . 1 . . . . . 69 HIS HB2 . 53126 1 484 . 1 . 1 69 69 HIS C C 13 176.346 0.016 . 1 . . . . . 69 HIS C . 53126 1 485 . 1 . 1 69 69 HIS CA C 13 59.491 0.010 . 1 . . . . . 69 HIS CA . 53126 1 486 . 1 . 1 69 69 HIS CB C 13 30.320 0.006 . 1 . . . . . 69 HIS CB . 53126 1 487 . 1 . 1 69 69 HIS N N 15 120.903 0.031 . 1 . . . . . 69 HIS N . 53126 1 488 . 1 . 1 70 70 ALA H H 1 8.798 0.003 . 1 . . . . . 70 ALA H . 53126 1 489 . 1 . 1 70 70 ALA HA H 1 4.607 0.000 . 1 . . . . . 70 ALA HA . 53126 1 490 . 1 . 1 70 70 ALA HB1 H 1 1.520 0.000 . 1 . . . . . 70 ALA HB1 . 53126 1 491 . 1 . 1 70 70 ALA HB2 H 1 1.520 0.000 . 1 . . . . . 70 ALA HB2 . 53126 1 492 . 1 . 1 70 70 ALA HB3 H 1 1.520 0.000 . 1 . . . . . 70 ALA HB3 . 53126 1 493 . 1 . 1 70 70 ALA C C 13 176.728 0.008 . 1 . . . . . 70 ALA C . 53126 1 494 . 1 . 1 70 70 ALA CA C 13 51.801 0.023 . 1 . . . . . 70 ALA CA . 53126 1 495 . 1 . 1 70 70 ALA CB C 13 18.502 0.009 . 1 . . . . . 70 ALA CB . 53126 1 496 . 1 . 1 70 70 ALA N N 15 125.959 0.063 . 1 . . . . . 70 ALA N . 53126 1 497 . 1 . 1 71 71 ARG H H 1 8.610 0.003 . 1 . . . . . 71 ARG H . 53126 1 498 . 1 . 1 71 71 ARG HA H 1 4.450 0.000 . 1 . . . . . 71 ARG HA . 53126 1 499 . 1 . 1 71 71 ARG HB2 H 1 1.856 0.000 . 1 . . . . . 71 ARG HB2 . 53126 1 500 . 1 . 1 71 71 ARG C C 13 176.589 0.032 . 1 . . . . . 71 ARG C . 53126 1 501 . 1 . 1 71 71 ARG CA C 13 55.571 0.008 . 1 . . . . . 71 ARG CA . 53126 1 502 . 1 . 1 71 71 ARG CB C 13 30.323 0.020 . 1 . . . . . 71 ARG CB . 53126 1 503 . 1 . 1 71 71 ARG N N 15 120.637 0.029 . 1 . . . . . 71 ARG N . 53126 1 504 . 1 . 1 72 72 GLY H H 1 8.304 0.005 . 1 . . . . . 72 GLY H . 53126 1 505 . 1 . 1 72 72 GLY HA2 H 1 4.064 0.000 . 1 . . . . . 72 GLY HA2 . 53126 1 506 . 1 . 1 72 72 GLY C C 13 171.697 0.000 . 1 . . . . . 72 GLY C . 53126 1 507 . 1 . 1 72 72 GLY CA C 13 44.157 0.000 . 1 . . . . . 72 GLY CA . 53126 1 508 . 1 . 1 72 72 GLY N N 15 109.569 0.028 . 1 . . . . . 72 GLY N . 53126 1 509 . 1 . 1 73 73 PRO HA H 1 4.407 0.000 . 1 . . . . . 73 PRO HA . 53126 1 510 . 1 . 1 73 73 PRO HB2 H 1 1.828 0.000 . 2 . . . . . 73 PRO HB2 . 53126 1 511 . 1 . 1 73 73 PRO HB3 H 1 2.225 0.000 . 2 . . . . . 73 PRO HB3 . 53126 1 512 . 1 . 1 73 73 PRO C C 13 177.071 0.001 . 1 . . . . . 73 PRO C . 53126 1 513 . 1 . 1 73 73 PRO CA C 13 62.596 0.000 . 1 . . . . . 73 PRO CA . 53126 1 514 . 1 . 1 73 73 PRO CB C 13 31.418 0.000 . 1 . . . . . 73 PRO CB . 53126 1 515 . 1 . 1 74 74 ARG H H 1 8.455 0.003 . 1 . . . . . 74 ARG H . 53126 1 516 . 1 . 1 74 74 ARG HA H 1 4.257 0.000 . 1 . . . . . 74 ARG HA . 53126 1 517 . 1 . 1 74 74 ARG HB2 H 1 1.747 0.000 . 1 . . . . . 74 ARG HB2 . 53126 1 518 . 1 . 1 74 74 ARG C C 13 176.455 0.015 . 1 . . . . . 74 ARG C . 53126 1 519 . 1 . 1 74 74 ARG CA C 13 55.768 0.000 . 1 . . . . . 74 ARG CA . 53126 1 520 . 1 . 1 74 74 ARG CB C 13 29.765 0.067 . 1 . . . . . 74 ARG CB . 53126 1 521 . 1 . 1 74 74 ARG N N 15 120.914 0.062 . 1 . . . . . 74 ARG N . 53126 1 522 . 1 . 1 75 75 ARG H H 1 8.422 0.002 . 1 . . . . . 75 ARG H . 53126 1 523 . 1 . 1 75 75 ARG HA H 1 4.275 0.000 . 1 . . . . . 75 ARG HA . 53126 1 524 . 1 . 1 75 75 ARG HB2 H 1 1.746 0.000 . 1 . . . . . 75 ARG HB2 . 53126 1 525 . 1 . 1 75 75 ARG C C 13 176.080 0.000 . 1 . . . . . 75 ARG C . 53126 1 526 . 1 . 1 75 75 ARG CA C 13 55.499 0.046 . 1 . . . . . 75 ARG CA . 53126 1 527 . 1 . 1 75 75 ARG CB C 13 29.978 0.011 . 1 . . . . . 75 ARG CB . 53126 1 528 . 1 . 1 75 75 ARG N N 15 122.115 0.016 . 1 . . . . . 75 ARG N . 53126 1 529 . 1 . 1 76 76 ASP H H 1 8.411 0.004 . 1 . . . . . 76 ASP H . 53126 1 530 . 1 . 1 76 76 ASP HA H 1 4.568 0.000 . 1 . . . . . 76 ASP HA . 53126 1 531 . 1 . 1 76 76 ASP HB2 H 1 2.659 0.000 . 1 . . . . . 76 ASP HB2 . 53126 1 532 . 1 . 1 76 76 ASP C C 13 176.523 0.016 . 1 . . . . . 76 ASP C . 53126 1 533 . 1 . 1 76 76 ASP CA C 13 54.005 0.014 . 1 . . . . . 76 ASP CA . 53126 1 534 . 1 . 1 76 76 ASP CB C 13 40.571 0.033 . 1 . . . . . 76 ASP CB . 53126 1 535 . 1 . 1 76 76 ASP N N 15 121.045 0.032 . 1 . . . . . 76 ASP N . 53126 1 536 . 1 . 1 77 77 ARG H H 1 8.284 0.002 . 1 . . . . . 77 ARG H . 53126 1 537 . 1 . 1 77 77 ARG HA H 1 4.259 0.000 . 1 . . . . . 77 ARG HA . 53126 1 538 . 1 . 1 77 77 ARG HB2 H 1 1.779 0.000 . 2 . . . . . 77 ARG HB2 . 53126 1 539 . 1 . 1 77 77 ARG HB3 H 1 2.655 0.000 . 2 . . . . . 77 ARG HB3 . 53126 1 540 . 1 . 1 77 77 ARG C C 13 176.282 0.001 . 1 . . . . . 77 ARG C . 53126 1 541 . 1 . 1 77 77 ARG CA C 13 56.103 0.003 . 1 . . . . . 77 ARG CA . 53126 1 542 . 1 . 1 77 77 ARG CB C 13 29.722 0.021 . 1 . . . . . 77 ARG CB . 53126 1 543 . 1 . 1 77 77 ARG N N 15 120.214 0.020 . 1 . . . . . 77 ARG N . 53126 1 544 . 1 . 1 78 78 ASP H H 1 8.315 0.003 . 1 . . . . . 78 ASP H . 53126 1 545 . 1 . 1 78 78 ASP HA H 1 4.575 0.000 . 1 . . . . . 78 ASP HA . 53126 1 546 . 1 . 1 78 78 ASP HB2 H 1 2.660 0.000 . 2 . . . . . 78 ASP HB2 . 53126 1 547 . 1 . 1 78 78 ASP HB3 H 1 1.779 0.000 . 2 . . . . . 78 ASP HB3 . 53126 1 548 . 1 . 1 78 78 ASP C C 13 176.699 0.010 . 1 . . . . . 78 ASP C . 53126 1 549 . 1 . 1 78 78 ASP CA C 13 54.329 0.017 . 1 . . . . . 78 ASP CA . 53126 1 550 . 1 . 1 78 78 ASP CB C 13 40.786 0.033 . 1 . . . . . 78 ASP CB . 53126 1 551 . 1 . 1 78 78 ASP N N 15 120.203 0.023 . 1 . . . . . 78 ASP N . 53126 1 552 . 1 . 1 79 79 GLY H H 1 8.245 0.004 . 1 . . . . . 79 GLY H . 53126 1 553 . 1 . 1 79 79 GLY HA2 H 1 3.855 0.000 . 2 . . . . . 79 GLY HA2 . 53126 1 554 . 1 . 1 79 79 GLY C C 13 174.075 0.004 . 1 . . . . . 79 GLY C . 53126 1 555 . 1 . 1 79 79 GLY CA C 13 45.088 0.005 . 1 . . . . . 79 GLY CA . 53126 1 556 . 1 . 1 79 79 GLY N N 15 108.588 0.026 . 1 . . . . . 79 GLY N . 53126 1 557 . 1 . 1 80 80 TYR H H 1 8.102 0.003 . 1 . . . . . 80 TYR H . 53126 1 558 . 1 . 1 80 80 TYR HA H 1 4.479 0.000 . 1 . . . . . 80 TYR HA . 53126 1 559 . 1 . 1 80 80 TYR HB2 H 1 2.880 0.000 . 1 . . . . . 80 TYR HB2 . 53126 1 560 . 1 . 1 80 80 TYR C C 13 176.031 0.000 . 1 . . . . . 80 TYR C . 53126 1 561 . 1 . 1 80 80 TYR CA C 13 57.808 0.000 . 1 . . . . . 80 TYR CA . 53126 1 562 . 1 . 1 80 80 TYR CB C 13 38.185 0.000 . 1 . . . . . 80 TYR CB . 53126 1 563 . 1 . 1 80 80 TYR N N 15 120.284 0.046 . 1 . . . . . 80 TYR N . 53126 1 564 . 1 . 1 81 81 SER H H 1 8.232 0.001 . 1 . . . . . 81 SER H . 53126 1 565 . 1 . 1 81 81 SER HA H 1 4.436 0.000 . 1 . . . . . 81 SER HA . 53126 1 566 . 1 . 1 81 81 SER HB2 H 1 3.742 0.000 . 1 . . . . . 81 SER HB2 . 53126 1 567 . 1 . 1 81 81 SER C C 13 177.279 0.000 . 1 . . . . . 81 SER C . 53126 1 568 . 1 . 1 81 81 SER CA C 13 57.644 0.000 . 1 . . . . . 81 SER CA . 53126 1 569 . 1 . 1 81 81 SER CB C 13 63.111 0.007 . 1 . . . . . 81 SER CB . 53126 1 570 . 1 . 1 81 81 SER N N 15 117.198 0.021 . 1 . . . . . 81 SER N . 53126 1 571 . 1 . 1 82 82 TYR H H 1 8.171 0.005 . 1 . . . . . 82 TYR H . 53126 1 572 . 1 . 1 82 82 TYR HA H 1 4.468 0.000 . 1 . . . . . 82 TYR HA . 53126 1 573 . 1 . 1 82 82 TYR HB2 H 1 2.966 0.000 . 1 . . . . . 82 TYR HB2 . 53126 1 574 . 1 . 1 82 82 TYR C C 13 176.536 0.006 . 1 . . . . . 82 TYR C . 53126 1 575 . 1 . 1 82 82 TYR CA C 13 58.088 0.007 . 1 . . . . . 82 TYR CA . 53126 1 576 . 1 . 1 82 82 TYR CB C 13 37.919 0.046 . 1 . . . . . 82 TYR CB . 53126 1 577 . 1 . 1 82 82 TYR N N 15 122.179 0.044 . 1 . . . . . 82 TYR N . 53126 1 578 . 1 . 1 83 83 GLY H H 1 8.359 0.006 . 1 . . . . . 83 GLY H . 53126 1 579 . 1 . 1 83 83 GLY HA2 H 1 3.903 0.000 . 1 . . . . . 83 GLY HA2 . 53126 1 580 . 1 . 1 83 83 GLY C C 13 174.268 0.000 . 1 . . . . . 83 GLY C . 53126 1 581 . 1 . 1 83 83 GLY CA C 13 44.964 0.000 . 1 . . . . . 83 GLY CA . 53126 1 582 . 1 . 1 83 83 GLY N N 15 109.935 0.054 . 1 . . . . . 83 GLY N . 53126 1 583 . 1 . 1 84 84 SER C C 13 172.866 0.000 . 1 . . . . . 84 SER C . 53126 1 584 . 1 . 1 85 85 ARG H H 1 8.043 0.009 . 1 . . . . . 85 ARG H . 53126 1 585 . 1 . 1 85 85 ARG HA H 1 4.145 0.000 . 1 . . . . . 85 ARG HA . 53126 1 586 . 1 . 1 85 85 ARG HB2 H 1 1.774 0.000 . 1 . . . . . 85 ARG HB2 . 53126 1 587 . 1 . 1 85 85 ARG CA C 13 56.158 0.000 . 1 . . . . . 85 ARG CA . 53126 1 588 . 1 . 1 85 85 ARG CB C 13 30.512 0.000 . 1 . . . . . 85 ARG CB . 53126 1 589 . 1 . 1 85 85 ARG N N 15 121.075 0.106 . 1 . . . . . 85 ARG N . 53126 1 590 . 1 . 1 87 87 GLY C C 13 174.878 0.000 . 1 . . . . . 87 GLY C . 53126 1 591 . 1 . 1 88 88 GLY H H 1 8.369 0.005 . 1 . . . . . 88 GLY H . 53126 1 592 . 1 . 1 88 88 GLY HA2 H 1 3.964 0.000 . 1 . . . . . 88 GLY HA2 . 53126 1 593 . 1 . 1 88 88 GLY C C 13 174.846 0.000 . 1 . . . . . 88 GLY C . 53126 1 594 . 1 . 1 88 88 GLY CA C 13 44.902 0.001 . 1 . . . . . 88 GLY CA . 53126 1 595 . 1 . 1 88 88 GLY N N 15 108.743 0.002 . 1 . . . . . 88 GLY N . 53126 1 596 . 1 . 1 89 89 GLY H H 1 8.327 0.006 . 1 . . . . . 89 GLY H . 53126 1 597 . 1 . 1 89 89 GLY HA2 H 1 3.942 0.000 . 1 . . . . . 89 GLY HA2 . 53126 1 598 . 1 . 1 89 89 GLY C C 13 174.846 0.016 . 1 . . . . . 89 GLY C . 53126 1 599 . 1 . 1 89 89 GLY CA C 13 44.903 0.000 . 1 . . . . . 89 GLY CA . 53126 1 600 . 1 . 1 89 89 GLY N N 15 108.705 0.011 . 1 . . . . . 89 GLY N . 53126 1 601 . 1 . 1 90 90 GLY H H 1 8.311 0.001 . 1 . . . . . 90 GLY H . 53126 1 602 . 1 . 1 90 90 GLY HA2 H 1 3.918 0.000 . 1 . . . . . 90 GLY HA2 . 53126 1 603 . 1 . 1 90 90 GLY C C 13 174.170 0.000 . 1 . . . . . 90 GLY C . 53126 1 604 . 1 . 1 90 90 GLY CA C 13 44.858 0.000 . 1 . . . . . 90 GLY CA . 53126 1 605 . 1 . 1 90 90 GLY N N 15 108.700 0.024 . 1 . . . . . 90 GLY N . 53126 1 606 . 1 . 1 91 91 TYR H H 1 8.186 0.005 . 1 . . . . . 91 TYR H . 53126 1 607 . 1 . 1 91 91 TYR HA H 1 4.523 0.000 . 1 . . . . . 91 TYR HA . 53126 1 608 . 1 . 1 91 91 TYR HB2 H 1 2.963 0.000 . 1 . . . . . 91 TYR HB2 . 53126 1 609 . 1 . 1 91 91 TYR C C 13 176.026 0.000 . 1 . . . . . 91 TYR C . 53126 1 610 . 1 . 1 91 91 TYR CA C 13 57.974 0.000 . 1 . . . . . 91 TYR CA . 53126 1 611 . 1 . 1 91 91 TYR CB C 13 38.172 0.000 . 1 . . . . . 91 TYR CB . 53126 1 612 . 1 . 1 91 91 TYR N N 15 120.236 0.110 . 1 . . . . . 91 TYR N . 53126 1 613 . 1 . 1 92 92 SER H H 1 8.233 0.005 . 1 . . . . . 92 SER H . 53126 1 614 . 1 . 1 92 92 SER HA H 1 4.408 0.000 . 1 . . . . . 92 SER HA . 53126 1 615 . 1 . 1 92 92 SER HB2 H 1 3.740 0.000 . 1 . . . . . 92 SER HB2 . 53126 1 616 . 1 . 1 92 92 SER CA C 13 57.742 0.000 . 1 . . . . . 92 SER CA . 53126 1 617 . 1 . 1 92 92 SER CB C 13 63.136 0.000 . 1 . . . . . 92 SER CB . 53126 1 618 . 1 . 1 92 92 SER N N 15 117.221 0.009 . 1 . . . . . 92 SER N . 53126 1 619 . 1 . 1 93 93 SER H H 1 8.282 0.002 . 1 . . . . . 93 SER H . 53126 1 620 . 1 . 1 93 93 SER HA H 1 4.419 0.000 . 1 . . . . . 93 SER HA . 53126 1 621 . 1 . 1 93 93 SER HB2 H 1 3.816 0.000 . 1 . . . . . 93 SER HB2 . 53126 1 622 . 1 . 1 93 93 SER C C 13 174.703 0.000 . 1 . . . . . 93 SER C . 53126 1 623 . 1 . 1 93 93 SER N N 15 117.241 0.060 . 1 . . . . . 93 SER N . 53126 1 624 . 1 . 1 94 94 ARG H H 1 8.282 0.003 . 1 . . . . . 94 ARG H . 53126 1 625 . 1 . 1 94 94 ARG HA H 1 4.343 0.000 . 1 . . . . . 94 ARG HA . 53126 1 626 . 1 . 1 94 94 ARG HB2 H 1 1.787 0.000 . 1 . . . . . 94 ARG HB2 . 53126 1 627 . 1 . 1 94 94 ARG C C 13 176.469 0.000 . 1 . . . . . 94 ARG C . 53126 1 628 . 1 . 1 94 94 ARG CA C 13 55.936 0.000 . 1 . . . . . 94 ARG CA . 53126 1 629 . 1 . 1 94 94 ARG CB C 13 29.780 0.000 . 1 . . . . . 94 ARG CB . 53126 1 630 . 1 . 1 94 94 ARG N N 15 122.426 0.031 . 1 . . . . . 94 ARG N . 53126 1 631 . 1 . 1 95 95 ARG H H 1 8.380 0.007 . 1 . . . . . 95 ARG H . 53126 1 632 . 1 . 1 95 95 ARG HA H 1 4.353 0.000 . 1 . . . . . 95 ARG HA . 53126 1 633 . 1 . 1 95 95 ARG HB2 H 1 1.823 0.000 . 1 . . . . . 95 ARG HB2 . 53126 1 634 . 1 . 1 95 95 ARG C C 13 176.733 0.018 . 1 . . . . . 95 ARG C . 53126 1 635 . 1 . 1 95 95 ARG CA C 13 55.838 0.000 . 1 . . . . . 95 ARG CA . 53126 1 636 . 1 . 1 95 95 ARG CB C 13 29.793 0.000 . 1 . . . . . 95 ARG CB . 53126 1 637 . 1 . 1 95 95 ARG N N 15 121.944 0.020 . 1 . . . . . 95 ARG N . 53126 1 638 . 1 . 1 96 96 THR H H 1 8.237 0.003 . 1 . . . . . 96 THR H . 53126 1 639 . 1 . 1 96 96 THR HA H 1 4.402 0.000 . 1 . . . . . 96 THR HA . 53126 1 640 . 1 . 1 96 96 THR HB H 1 4.140 0.000 . 1 . . . . . 96 THR HB . 53126 1 641 . 1 . 1 96 96 THR N N 15 114.802 0.000 . 1 . . . . . 96 THR N . 53126 1 642 . 1 . 1 97 97 SER H H 1 8.397 0.002 . 1 . . . . . 97 SER H . 53126 1 643 . 1 . 1 97 97 SER HA H 1 4.435 0.000 . 1 . . . . . 97 SER HA . 53126 1 644 . 1 . 1 97 97 SER HB2 H 1 3.878 0.000 . 1 . . . . . 97 SER HB2 . 53126 1 645 . 1 . 1 97 97 SER N N 15 117.793 0.022 . 1 . . . . . 97 SER N . 53126 1 646 . 1 . 1 98 98 GLY H H 1 8.529 0.015 . 1 . . . . . 98 GLY H . 53126 1 647 . 1 . 1 98 98 GLY HA2 H 1 3.967 0.000 . 1 . . . . . 98 GLY HA2 . 53126 1 648 . 1 . 1 98 98 GLY C C 13 174.361 0.000 . 1 . . . . . 98 GLY C . 53126 1 649 . 1 . 1 98 98 GLY CA C 13 45.030 0.112 . 1 . . . . . 98 GLY CA . 53126 1 650 . 1 . 1 98 98 GLY N N 15 110.841 0.096 . 1 . . . . . 98 GLY N . 53126 1 651 . 1 . 1 99 99 ARG H H 1 8.247 0.007 . 1 . . . . . 99 ARG H . 53126 1 652 . 1 . 1 99 99 ARG HA H 1 4.258 0.000 . 1 . . . . . 99 ARG HA . 53126 1 653 . 1 . 1 99 99 ARG HB2 H 1 1.793 0.000 . 1 . . . . . 99 ARG HB2 . 53126 1 654 . 1 . 1 99 99 ARG C C 13 176.372 0.013 . 1 . . . . . 99 ARG C . 53126 1 655 . 1 . 1 99 99 ARG CA C 13 55.945 0.014 . 1 . . . . . 99 ARG CA . 53126 1 656 . 1 . 1 99 99 ARG CB C 13 29.813 0.003 . 1 . . . . . 99 ARG CB . 53126 1 657 . 1 . 1 99 99 ARG N N 15 120.308 0.023 . 1 . . . . . 99 ARG N . 53126 1 658 . 1 . 1 100 100 ASP H H 1 8.368 0.004 . 1 . . . . . 100 ASP H . 53126 1 659 . 1 . 1 100 100 ASP HA H 1 4.537 0.005 . 1 . . . . . 100 ASP HA . 53126 1 660 . 1 . 1 100 100 ASP HB2 H 1 2.638 0.003 . 1 . . . . . 100 ASP HB2 . 53126 1 661 . 1 . 1 100 100 ASP C C 13 176.365 0.006 . 1 . . . . . 100 ASP C . 53126 1 662 . 1 . 1 100 100 ASP CA C 13 54.113 0.001 . 1 . . . . . 100 ASP CA . 53126 1 663 . 1 . 1 100 100 ASP CB C 13 40.593 0.006 . 1 . . . . . 100 ASP CB . 53126 1 664 . 1 . 1 100 100 ASP N N 15 120.712 0.043 . 1 . . . . . 100 ASP N . 53126 1 665 . 1 . 1 101 101 LYS H H 1 8.131 0.004 . 1 . . . . . 101 LYS H . 53126 1 666 . 1 . 1 101 101 LYS HA H 1 4.146 0.000 . 1 . . . . . 101 LYS HA . 53126 1 667 . 1 . 1 101 101 LYS HB2 H 1 1.597 0.000 . 1 . . . . . 101 LYS HB2 . 53126 1 668 . 1 . 1 101 101 LYS C C 13 176.421 0.018 . 1 . . . . . 101 LYS C . 53126 1 669 . 1 . 1 101 101 LYS CA C 13 56.461 0.002 . 1 . . . . . 101 LYS CA . 53126 1 670 . 1 . 1 101 101 LYS CB C 13 31.896 0.011 . 1 . . . . . 101 LYS CB . 53126 1 671 . 1 . 1 101 101 LYS N N 15 121.000 0.026 . 1 . . . . . 101 LYS N . 53126 1 672 . 1 . 1 102 102 TYR H H 1 8.201 0.004 . 1 . . . . . 102 TYR H . 53126 1 673 . 1 . 1 102 102 TYR HA H 1 4.607 0.000 . 1 . . . . . 102 TYR HA . 53126 1 674 . 1 . 1 102 102 TYR HB2 H 1 2.879 0.000 . 2 . . . . . 102 TYR HB2 . 53126 1 675 . 1 . 1 102 102 TYR HB3 H 1 3.180 0.000 . 2 . . . . . 102 TYR HB3 . 53126 1 676 . 1 . 1 102 102 TYR C C 13 176.179 0.019 . 1 . . . . . 102 TYR C . 53126 1 677 . 1 . 1 102 102 TYR CA C 13 57.278 0.003 . 1 . . . . . 102 TYR CA . 53126 1 678 . 1 . 1 102 102 TYR CB C 13 38.086 0.019 . 1 . . . . . 102 TYR CB . 53126 1 679 . 1 . 1 102 102 TYR N N 15 119.672 0.024 . 1 . . . . . 102 TYR N . 53126 1 680 . 1 . 1 103 103 GLY H H 1 8.086 0.007 . 1 . . . . . 103 GLY H . 53126 1 681 . 1 . 1 103 103 GLY HA2 H 1 4.071 0.000 . 2 . . . . . 103 GLY HA2 . 53126 1 682 . 1 . 1 103 103 GLY HA3 H 1 3.590 0.000 . 2 . . . . . 103 GLY HA3 . 53126 1 683 . 1 . 1 103 103 GLY C C 13 171.033 0.000 . 1 . . . . . 103 GLY C . 53126 1 684 . 1 . 1 103 103 GLY CA C 13 44.072 0.000 . 1 . . . . . 103 GLY CA . 53126 1 685 . 1 . 1 103 103 GLY N N 15 109.910 0.024 . 1 . . . . . 103 GLY N . 53126 1 686 . 1 . 1 107 107 ARG C C 13 176.881 0.000 . 1 . . . . . 107 ARG C . 53126 1 687 . 1 . 1 108 108 THR H H 1 8.353 0.003 . 1 . . . . . 108 THR H . 53126 1 688 . 1 . 1 108 108 THR HA H 1 4.379 0.039 . 1 . . . . . 108 THR HA . 53126 1 689 . 1 . 1 108 108 THR HB H 1 4.246 0.000 . 1 . . . . . 108 THR HB . 53126 1 690 . 1 . 1 108 108 THR C C 13 173.033 0.000 . 1 . . . . . 108 THR C . 53126 1 691 . 1 . 1 108 108 THR CA C 13 59.688 0.000 . 1 . . . . . 108 THR CA . 53126 1 692 . 1 . 1 108 108 THR CB C 13 71.015 0.000 . 1 . . . . . 108 THR CB . 53126 1 693 . 1 . 1 108 108 THR N N 15 114.201 0.026 . 1 . . . . . 108 THR N . 53126 1 694 . 1 . 1 109 109 GLU H H 1 7.907 0.005 . 1 . . . . . 109 GLU H . 53126 1 695 . 1 . 1 109 109 GLU HA H 1 4.307 0.061 . 1 . . . . . 109 GLU HA . 53126 1 696 . 1 . 1 109 109 GLU HB2 H 1 1.627 0.000 . 2 . . . . . 109 GLU HB2 . 53126 1 697 . 1 . 1 109 109 GLU HB3 H 1 1.884 0.000 . 2 . . . . . 109 GLU HB3 . 53126 1 698 . 1 . 1 109 109 GLU C C 13 176.409 0.000 . 1 . . . . . 109 GLU C . 53126 1 699 . 1 . 1 109 109 GLU N N 15 114.281 0.029 . 1 . . . . . 109 GLU N . 53126 1 700 . 1 . 1 110 110 TYR H H 1 8.106 0.008 . 1 . . . . . 110 TYR H . 53126 1 701 . 1 . 1 110 110 TYR HA H 1 4.409 0.000 . 1 . . . . . 110 TYR HA . 53126 1 702 . 1 . 1 110 110 TYR HB2 H 1 2.864 0.000 . 1 . . . . . 110 TYR HB2 . 53126 1 703 . 1 . 1 110 110 TYR C C 13 174.248 0.010 . 1 . . . . . 110 TYR C . 53126 1 704 . 1 . 1 110 110 TYR CA C 13 55.872 0.014 . 1 . . . . . 110 TYR CA . 53126 1 705 . 1 . 1 110 110 TYR CB C 13 34.593 0.019 . 1 . . . . . 110 TYR CB . 53126 1 706 . 1 . 1 110 110 TYR N N 15 124.420 0.131 . 1 . . . . . 110 TYR N . 53126 1 707 . 1 . 1 111 111 ARG H H 1 7.969 0.002 . 1 . . . . . 111 ARG H . 53126 1 708 . 1 . 1 111 111 ARG C C 13 175.322 0.008 . 1 . . . . . 111 ARG C . 53126 1 709 . 1 . 1 111 111 ARG CA C 13 54.590 0.000 . 1 . . . . . 111 ARG CA . 53126 1 710 . 1 . 1 111 111 ARG CB C 13 33.417 0.000 . 1 . . . . . 111 ARG CB . 53126 1 711 . 1 . 1 111 111 ARG N N 15 123.934 0.066 . 1 . . . . . 111 ARG N . 53126 1 712 . 1 . 1 112 112 LEU H H 1 9.597 0.006 . 1 . . . . . 112 LEU H . 53126 1 713 . 1 . 1 112 112 LEU HA H 1 5.279 0.000 . 1 . . . . . 112 LEU HA . 53126 1 714 . 1 . 1 112 112 LEU HB2 H 1 1.803 0.000 . 1 . . . . . 112 LEU HB2 . 53126 1 715 . 1 . 1 112 112 LEU C C 13 175.566 0.000 . 1 . . . . . 112 LEU C . 53126 1 716 . 1 . 1 112 112 LEU CA C 13 52.367 0.044 . 1 . . . . . 112 LEU CA . 53126 1 717 . 1 . 1 112 112 LEU CB C 13 43.612 0.038 . 1 . . . . . 112 LEU CB . 53126 1 718 . 1 . 1 112 112 LEU N N 15 124.092 0.051 . 1 . . . . . 112 LEU N . 53126 1 719 . 1 . 1 113 113 ILE H H 1 9.415 0.004 . 1 . . . . . 113 ILE H . 53126 1 720 . 1 . 1 113 113 ILE HA H 1 4.551 0.000 . 1 . . . . . 113 ILE HA . 53126 1 721 . 1 . 1 113 113 ILE HB H 1 1.879 0.000 . 1 . . . . . 113 ILE HB . 53126 1 722 . 1 . 1 113 113 ILE C C 13 175.096 0.000 . 1 . . . . . 113 ILE C . 53126 1 723 . 1 . 1 113 113 ILE CA C 13 59.306 0.000 . 1 . . . . . 113 ILE CA . 53126 1 724 . 1 . 1 113 113 ILE CB C 13 37.596 0.000 . 1 . . . . . 113 ILE CB . 53126 1 725 . 1 . 1 113 113 ILE N N 15 122.964 0.076 . 1 . . . . . 113 ILE N . 53126 1 726 . 1 . 1 114 114 VAL H H 1 8.604 0.006 . 1 . . . . . 114 VAL H . 53126 1 727 . 1 . 1 114 114 VAL C C 13 174.819 0.000 . 1 . . . . . 114 VAL C . 53126 1 728 . 1 . 1 114 114 VAL CA C 13 59.235 0.000 . 1 . . . . . 114 VAL CA . 53126 1 729 . 1 . 1 114 114 VAL CB C 13 38.437 0.000 . 1 . . . . . 114 VAL CB . 53126 1 730 . 1 . 1 114 114 VAL N N 15 125.694 0.033 . 1 . . . . . 114 VAL N . 53126 1 731 . 1 . 1 115 115 GLU H H 1 9.371 0.002 . 1 . . . . . 115 GLU H . 53126 1 732 . 1 . 1 115 115 GLU HA H 1 4.822 0.000 . 1 . . . . . 115 GLU HA . 53126 1 733 . 1 . 1 115 115 GLU HB2 H 1 2.033 0.000 . 1 . . . . . 115 GLU HB2 . 53126 1 734 . 1 . 1 115 115 GLU C C 13 176.369 0.011 . 1 . . . . . 115 GLU C . 53126 1 735 . 1 . 1 115 115 GLU CA C 13 54.132 0.049 . 1 . . . . . 115 GLU CA . 53126 1 736 . 1 . 1 115 115 GLU CB C 13 31.794 0.016 . 1 . . . . . 115 GLU CB . 53126 1 737 . 1 . 1 115 115 GLU N N 15 124.099 0.064 . 1 . . . . . 115 GLU N . 53126 1 738 . 1 . 1 116 116 ASN H H 1 9.008 0.007 . 1 . . . . . 116 ASN H . 53126 1 739 . 1 . 1 116 116 ASN C C 13 173.274 0.000 . 1 . . . . . 116 ASN C . 53126 1 740 . 1 . 1 116 116 ASN CA C 13 48.728 0.000 . 1 . . . . . 116 ASN CA . 53126 1 741 . 1 . 1 116 116 ASN CB C 13 37.328 0.000 . 1 . . . . . 116 ASN CB . 53126 1 742 . 1 . 1 116 116 ASN N N 15 118.089 0.024 . 1 . . . . . 116 ASN N . 53126 1 743 . 1 . 1 117 117 LEU H H 1 7.808 0.008 . 1 . . . . . 117 LEU H . 53126 1 744 . 1 . 1 117 117 LEU HA H 1 4.318 0.000 . 1 . . . . . 117 LEU HA . 53126 1 745 . 1 . 1 117 117 LEU CA C 13 52.358 0.000 . 1 . . . . . 117 LEU CA . 53126 1 746 . 1 . 1 117 117 LEU CB C 13 42.781 0.000 . 1 . . . . . 117 LEU CB . 53126 1 747 . 1 . 1 117 117 LEU N N 15 117.058 0.063 . 1 . . . . . 117 LEU N . 53126 1 748 . 1 . 1 119 119 SER C C 13 174.679 0.000 . 1 . . . . . 119 SER C . 53126 1 749 . 1 . 1 120 120 ARG H H 1 7.962 0.002 . 1 . . . . . 120 ARG H . 53126 1 750 . 1 . 1 120 120 ARG C C 13 175.402 0.000 . 1 . . . . . 120 ARG C . 53126 1 751 . 1 . 1 120 120 ARG CA C 13 55.749 0.000 . 1 . . . . . 120 ARG CA . 53126 1 752 . 1 . 1 120 120 ARG CB C 13 29.285 0.000 . 1 . . . . . 120 ARG CB . 53126 1 753 . 1 . 1 120 120 ARG N N 15 118.923 0.024 . 1 . . . . . 120 ARG N . 53126 1 754 . 1 . 1 121 121 CYS H H 1 7.657 0.003 . 1 . . . . . 121 CYS H . 53126 1 755 . 1 . 1 121 121 CYS C C 13 173.429 0.000 . 1 . . . . . 121 CYS C . 53126 1 756 . 1 . 1 121 121 CYS CB C 13 26.719 0.016 . 1 . . . . . 121 CYS CB . 53126 1 757 . 1 . 1 121 121 CYS N N 15 120.633 0.059 . 1 . . . . . 121 CYS N . 53126 1 758 . 1 . 1 122 122 SER H H 1 8.940 0.001 . 1 . . . . . 122 SER H . 53126 1 759 . 1 . 1 122 122 SER CA C 13 56.858 0.000 . 1 . . . . . 122 SER CA . 53126 1 760 . 1 . 1 122 122 SER CB C 13 65.643 0.000 . 1 . . . . . 122 SER CB . 53126 1 761 . 1 . 1 122 122 SER N N 15 123.725 0.015 . 1 . . . . . 122 SER N . 53126 1 762 . 1 . 1 123 123 TRP H H 1 10.325 0.000 . 1 . . . . . 123 TRP H . 53126 1 763 . 1 . 1 123 123 TRP HE1 H 1 10.320 0.000 . 1 . . . . . 123 TRP HE1 . 53126 1 764 . 1 . 1 123 123 TRP NE1 N 15 130.411 0.000 . 1 . . . . . 123 TRP NE1 . 53126 1 765 . 1 . 1 125 125 ASP C C 13 179.206 0.000 . 1 . . . . . 125 ASP C . 53126 1 766 . 1 . 1 126 126 LEU H H 1 8.325 0.001 . 1 . . . . . 126 LEU H . 53126 1 767 . 1 . 1 126 126 LEU C C 13 175.098 0.000 . 1 . . . . . 126 LEU C . 53126 1 768 . 1 . 1 126 126 LEU CA C 13 57.158 0.000 . 1 . . . . . 126 LEU CA . 53126 1 769 . 1 . 1 126 126 LEU CB C 13 40.887 0.000 . 1 . . . . . 126 LEU CB . 53126 1 770 . 1 . 1 126 126 LEU N N 15 122.017 0.018 . 1 . . . . . 126 LEU N . 53126 1 771 . 1 . 1 127 127 LYS H H 1 8.773 0.005 . 1 . . . . . 127 LYS H . 53126 1 772 . 1 . 1 127 127 LYS C C 13 176.153 0.000 . 1 . . . . . 127 LYS C . 53126 1 773 . 1 . 1 127 127 LYS CA C 13 59.270 0.000 . 1 . . . . . 127 LYS CA . 53126 1 774 . 1 . 1 127 127 LYS CB C 13 30.472 0.000 . 1 . . . . . 127 LYS CB . 53126 1 775 . 1 . 1 127 127 LYS N N 15 121.525 0.062 . 1 . . . . . 127 LYS N . 53126 1 776 . 1 . 1 128 128 ASP H H 1 8.003 0.000 . 1 . . . . . 128 ASP H . 53126 1 777 . 1 . 1 128 128 ASP C C 13 178.568 0.000 . 1 . . . . . 128 ASP C . 53126 1 778 . 1 . 1 128 128 ASP N N 15 117.149 0.000 . 1 . . . . . 128 ASP N . 53126 1 779 . 1 . 1 129 129 PHE H H 1 8.104 0.002 . 1 . . . . . 129 PHE H . 53126 1 780 . 1 . 1 129 129 PHE C C 13 178.255 0.000 . 1 . . . . . 129 PHE C . 53126 1 781 . 1 . 1 129 129 PHE CA C 13 60.755 0.052 . 1 . . . . . 129 PHE CA . 53126 1 782 . 1 . 1 129 129 PHE CB C 13 38.712 0.022 . 1 . . . . . 129 PHE CB . 53126 1 783 . 1 . 1 129 129 PHE N N 15 120.062 0.013 . 1 . . . . . 129 PHE N . 53126 1 784 . 1 . 1 130 130 MET H H 1 8.410 0.002 . 1 . . . . . 130 MET H . 53126 1 785 . 1 . 1 130 130 MET HA H 1 4.240 0.000 . 1 . . . . . 130 MET HA . 53126 1 786 . 1 . 1 130 130 MET HB2 H 1 1.969 0.000 . 1 . . . . . 130 MET HB2 . 53126 1 787 . 1 . 1 130 130 MET C C 13 177.771 0.004 . 1 . . . . . 130 MET C . 53126 1 788 . 1 . 1 130 130 MET CA C 13 55.925 0.000 . 1 . . . . . 130 MET CA . 53126 1 789 . 1 . 1 130 130 MET CB C 13 31.188 0.000 . 1 . . . . . 130 MET CB . 53126 1 790 . 1 . 1 130 130 MET N N 15 116.672 0.031 . 1 . . . . . 130 MET N . 53126 1 791 . 1 . 1 131 131 ARG H H 1 8.024 0.006 . 1 . . . . . 131 ARG H . 53126 1 792 . 1 . 1 131 131 ARG HB2 H 1 1.985 0.000 . 1 . . . . . 131 ARG HB2 . 53126 1 793 . 1 . 1 131 131 ARG C C 13 177.733 0.000 . 1 . . . . . 131 ARG C . 53126 1 794 . 1 . 1 131 131 ARG CA C 13 57.051 0.000 . 1 . . . . . 131 ARG CA . 53126 1 795 . 1 . 1 131 131 ARG CB C 13 28.887 0.000 . 1 . . . . . 131 ARG CB . 53126 1 796 . 1 . 1 131 131 ARG N N 15 119.251 0.078 . 1 . . . . . 131 ARG N . 53126 1 797 . 1 . 1 132 132 GLN H H 1 7.345 0.008 . 1 . . . . . 132 GLN H . 53126 1 798 . 1 . 1 132 132 GLN HA H 1 4.195 0.000 . 1 . . . . . 132 GLN HA . 53126 1 799 . 1 . 1 132 132 GLN HB2 H 1 2.071 0.000 . 1 . . . . . 132 GLN HB2 . 53126 1 800 . 1 . 1 132 132 GLN C C 13 176.626 0.015 . 1 . . . . . 132 GLN C . 53126 1 801 . 1 . 1 132 132 GLN CA C 13 57.560 0.000 . 1 . . . . . 132 GLN CA . 53126 1 802 . 1 . 1 132 132 GLN CB C 13 29.169 0.000 . 1 . . . . . 132 GLN CB . 53126 1 803 . 1 . 1 132 132 GLN N N 15 115.921 0.040 . 1 . . . . . 132 GLN N . 53126 1 804 . 1 . 1 133 133 ALA H H 1 8.057 0.003 . 1 . . . . . 133 ALA H . 53126 1 805 . 1 . 1 133 133 ALA HA H 1 4.374 0.021 . 1 . . . . . 133 ALA HA . 53126 1 806 . 1 . 1 133 133 ALA HB1 H 1 1.283 0.008 . 1 . . . . . 133 ALA HB1 . 53126 1 807 . 1 . 1 133 133 ALA HB2 H 1 1.283 0.008 . 1 . . . . . 133 ALA HB2 . 53126 1 808 . 1 . 1 133 133 ALA HB3 H 1 1.283 0.008 . 1 . . . . . 133 ALA HB3 . 53126 1 809 . 1 . 1 133 133 ALA C C 13 175.626 0.000 . 1 . . . . . 133 ALA C . 53126 1 810 . 1 . 1 133 133 ALA CA C 13 51.896 0.000 . 1 . . . . . 133 ALA CA . 53126 1 811 . 1 . 1 133 133 ALA CB C 13 19.408 0.000 . 1 . . . . . 133 ALA CB . 53126 1 812 . 1 . 1 133 133 ALA N N 15 119.924 0.041 . 1 . . . . . 133 ALA N . 53126 1 813 . 1 . 1 134 134 GLY H H 1 7.422 0.008 . 1 . . . . . 134 GLY H . 53126 1 814 . 1 . 1 134 134 GLY CA C 13 44.458 0.024 . 1 . . . . . 134 GLY CA . 53126 1 815 . 1 . 1 134 134 GLY N N 15 103.189 0.030 . 1 . . . . . 134 GLY N . 53126 1 816 . 1 . 1 135 135 GLU H H 1 8.262 0.002 . 1 . . . . . 135 GLU H . 53126 1 817 . 1 . 1 135 135 GLU HA H 1 4.277 0.000 . 1 . . . . . 135 GLU HA . 53126 1 818 . 1 . 1 135 135 GLU HB2 H 1 2.061 0.000 . 1 . . . . . 135 GLU HB2 . 53126 1 819 . 1 . 1 135 135 GLU C C 13 175.590 0.044 . 1 . . . . . 135 GLU C . 53126 1 820 . 1 . 1 135 135 GLU CA C 13 56.598 0.014 . 1 . . . . . 135 GLU CA . 53126 1 821 . 1 . 1 135 135 GLU CB C 13 29.011 0.060 . 1 . . . . . 135 GLU CB . 53126 1 822 . 1 . 1 135 135 GLU N N 15 119.106 0.112 . 1 . . . . . 135 GLU N . 53126 1 823 . 1 . 1 136 136 VAL H H 1 8.065 0.006 . 1 . . . . . 136 VAL H . 53126 1 824 . 1 . 1 136 136 VAL C C 13 176.840 0.019 . 1 . . . . . 136 VAL C . 53126 1 825 . 1 . 1 136 136 VAL CA C 13 61.025 0.004 . 1 . . . . . 136 VAL CA . 53126 1 826 . 1 . 1 136 136 VAL CB C 13 32.382 0.067 . 1 . . . . . 136 VAL CB . 53126 1 827 . 1 . 1 136 136 VAL N N 15 128.887 0.028 . 1 . . . . . 136 VAL N . 53126 1 828 . 1 . 1 137 137 THR H H 1 9.069 0.004 . 1 . . . . . 137 THR H . 53126 1 829 . 1 . 1 137 137 THR C C 13 175.254 0.029 . 1 . . . . . 137 THR C . 53126 1 830 . 1 . 1 137 137 THR CA C 13 62.159 0.000 . 1 . . . . . 137 THR CA . 53126 1 831 . 1 . 1 137 137 THR CB C 13 67.485 0.000 . 1 . . . . . 137 THR CB . 53126 1 832 . 1 . 1 137 137 THR N N 15 119.456 0.063 . 1 . . . . . 137 THR N . 53126 1 833 . 1 . 1 138 138 TYR H H 1 7.455 0.003 . 1 . . . . . 138 TYR H . 53126 1 834 . 1 . 1 138 138 TYR C C 13 172.227 0.000 . 1 . . . . . 138 TYR C . 53126 1 835 . 1 . 1 138 138 TYR CA C 13 58.011 0.000 . 1 . . . . . 138 TYR CA . 53126 1 836 . 1 . 1 138 138 TYR CB C 13 41.211 0.000 . 1 . . . . . 138 TYR CB . 53126 1 837 . 1 . 1 138 138 TYR N N 15 122.845 0.028 . 1 . . . . . 138 TYR N . 53126 1 838 . 1 . 1 139 139 ALA H H 1 7.245 0.008 . 1 . . . . . 139 ALA H . 53126 1 839 . 1 . 1 139 139 ALA C C 13 173.732 0.000 . 1 . . . . . 139 ALA C . 53126 1 840 . 1 . 1 139 139 ALA CA C 13 50.211 0.000 . 1 . . . . . 139 ALA CA . 53126 1 841 . 1 . 1 139 139 ALA CB C 13 23.071 0.000 . 1 . . . . . 139 ALA CB . 53126 1 842 . 1 . 1 139 139 ALA N N 15 126.921 0.037 . 1 . . . . . 139 ALA N . 53126 1 843 . 1 . 1 140 140 ASP H H 1 8.467 0.001 . 1 . . . . . 140 ASP H . 53126 1 844 . 1 . 1 140 140 ASP C C 13 177.973 0.000 . 1 . . . . . 140 ASP C . 53126 1 845 . 1 . 1 140 140 ASP N N 15 120.169 0.000 . 1 . . . . . 140 ASP N . 53126 1 846 . 1 . 1 141 141 ALA H H 1 8.387 0.002 . 1 . . . . . 141 ALA H . 53126 1 847 . 1 . 1 141 141 ALA CA C 13 57.149 0.000 . 1 . . . . . 141 ALA CA . 53126 1 848 . 1 . 1 141 141 ALA N N 15 119.827 0.023 . 1 . . . . . 141 ALA N . 53126 1 849 . 1 . 1 142 142 HIS CA C 13 53.721 0.000 . 1 . . . . . 142 HIS CA . 53126 1 850 . 1 . 1 142 142 HIS CB C 13 31.514 0.000 . 1 . . . . . 142 HIS CB . 53126 1 851 . 1 . 1 143 143 LYS H H 1 8.740 0.002 . 1 . . . . . 143 LYS H . 53126 1 852 . 1 . 1 143 143 LYS CA C 13 56.312 0.000 . 1 . . . . . 143 LYS CA . 53126 1 853 . 1 . 1 143 143 LYS CB C 13 28.932 0.006 . 1 . . . . . 143 LYS CB . 53126 1 854 . 1 . 1 143 143 LYS N N 15 123.887 0.013 . 1 . . . . . 143 LYS N . 53126 1 855 . 1 . 1 144 144 GLU H H 1 8.266 0.001 . 1 . . . . . 144 GLU H . 53126 1 856 . 1 . 1 144 144 GLU CA C 13 58.509 0.000 . 1 . . . . . 144 GLU CA . 53126 1 857 . 1 . 1 144 144 GLU CB C 13 29.916 0.000 . 1 . . . . . 144 GLU CB . 53126 1 858 . 1 . 1 144 144 GLU N N 15 119.262 0.012 . 1 . . . . . 144 GLU N . 53126 1 859 . 1 . 1 145 145 ARG H H 1 8.122 0.000 . 1 . . . . . 145 ARG H . 53126 1 860 . 1 . 1 145 145 ARG N N 15 117.999 0.000 . 1 . . . . . 145 ARG N . 53126 1 861 . 1 . 1 147 147 ASN C C 13 173.553 0.000 . 1 . . . . . 147 ASN C . 53126 1 862 . 1 . 1 148 148 GLU H H 1 7.720 0.001 . 1 . . . . . 148 GLU H . 53126 1 863 . 1 . 1 148 148 GLU CA C 13 54.184 0.000 . 1 . . . . . 148 GLU CA . 53126 1 864 . 1 . 1 148 148 GLU CB C 13 33.586 0.000 . 1 . . . . . 148 GLU CB . 53126 1 865 . 1 . 1 148 148 GLU N N 15 117.200 0.022 . 1 . . . . . 148 GLU N . 53126 1 866 . 1 . 1 149 149 GLY H H 1 9.329 0.000 . 1 . . . . . 149 GLY H . 53126 1 867 . 1 . 1 149 149 GLY CA C 13 44.075 0.000 . 1 . . . . . 149 GLY CA . 53126 1 868 . 1 . 1 149 149 GLY N N 15 111.416 0.000 . 1 . . . . . 149 GLY N . 53126 1 869 . 1 . 1 150 150 VAL H H 1 8.844 0.006 . 1 . . . . . 150 VAL H . 53126 1 870 . 1 . 1 150 150 VAL CA C 13 60.681 0.000 . 1 . . . . . 150 VAL CA . 53126 1 871 . 1 . 1 150 150 VAL CB C 13 34.672 0.000 . 1 . . . . . 150 VAL CB . 53126 1 872 . 1 . 1 150 150 VAL N N 15 120.151 0.028 . 1 . . . . . 150 VAL N . 53126 1 873 . 1 . 1 151 151 ILE H H 1 8.920 0.000 . 1 . . . . . 151 ILE H . 53126 1 874 . 1 . 1 151 151 ILE C C 13 173.798 0.000 . 1 . . . . . 151 ILE C . 53126 1 875 . 1 . 1 151 151 ILE CA C 13 59.831 0.000 . 1 . . . . . 151 ILE CA . 53126 1 876 . 1 . 1 151 151 ILE CB C 13 40.752 0.000 . 1 . . . . . 151 ILE CB . 53126 1 877 . 1 . 1 151 151 ILE N N 15 122.816 0.000 . 1 . . . . . 151 ILE N . 53126 1 878 . 1 . 1 152 152 GLU H H 1 8.819 0.003 . 1 . . . . . 152 GLU H . 53126 1 879 . 1 . 1 152 152 GLU C C 13 175.829 0.034 . 1 . . . . . 152 GLU C . 53126 1 880 . 1 . 1 152 152 GLU CA C 13 53.687 0.069 . 1 . . . . . 152 GLU CA . 53126 1 881 . 1 . 1 152 152 GLU CB C 13 31.542 0.125 . 1 . . . . . 152 GLU CB . 53126 1 882 . 1 . 1 152 152 GLU N N 15 123.872 0.043 . 1 . . . . . 152 GLU N . 53126 1 883 . 1 . 1 153 153 PHE H H 1 8.602 0.004 . 1 . . . . . 153 PHE H . 53126 1 884 . 1 . 1 153 153 PHE HA H 1 5.329 0.000 . 1 . . . . . 153 PHE HA . 53126 1 885 . 1 . 1 153 153 PHE C C 13 176.467 0.000 . 1 . . . . . 153 PHE C . 53126 1 886 . 1 . 1 153 153 PHE CA C 13 56.288 0.040 . 1 . . . . . 153 PHE CA . 53126 1 887 . 1 . 1 153 153 PHE CB C 13 43.131 0.000 . 1 . . . . . 153 PHE CB . 53126 1 888 . 1 . 1 153 153 PHE N N 15 117.991 0.040 . 1 . . . . . 153 PHE N . 53126 1 889 . 1 . 1 154 154 ARG H H 1 8.572 0.018 . 1 . . . . . 154 ARG H . 53126 1 890 . 1 . 1 154 154 ARG HA H 1 4.235 0.013 . 1 . . . . . 154 ARG HA . 53126 1 891 . 1 . 1 154 154 ARG HB2 H 1 1.722 0.000 . 1 . . . . . 154 ARG HB2 . 53126 1 892 . 1 . 1 154 154 ARG C C 13 175.734 0.000 . 1 . . . . . 154 ARG C . 53126 1 893 . 1 . 1 154 154 ARG CA C 13 57.812 0.000 . 1 . . . . . 154 ARG CA . 53126 1 894 . 1 . 1 154 154 ARG CB C 13 29.827 0.000 . 1 . . . . . 154 ARG CB . 53126 1 895 . 1 . 1 154 154 ARG N N 15 118.826 0.034 . 1 . . . . . 154 ARG N . 53126 1 896 . 1 . 1 155 155 SER H H 1 7.824 0.006 . 1 . . . . . 155 SER H . 53126 1 897 . 1 . 1 155 155 SER HA H 1 4.618 0.000 . 1 . . . . . 155 SER HA . 53126 1 898 . 1 . 1 155 155 SER HB2 H 1 3.765 0.000 . 1 . . . . . 155 SER HB2 . 53126 1 899 . 1 . 1 155 155 SER C C 13 173.217 0.000 . 1 . . . . . 155 SER C . 53126 1 900 . 1 . 1 155 155 SER CA C 13 55.599 0.002 . 1 . . . . . 155 SER CA . 53126 1 901 . 1 . 1 155 155 SER CB C 13 66.641 0.022 . 1 . . . . . 155 SER CB . 53126 1 902 . 1 . 1 155 155 SER N N 15 108.727 0.023 . 1 . . . . . 155 SER N . 53126 1 903 . 1 . 1 156 156 TYR H H 1 8.132 0.003 . 1 . . . . . 156 TYR H . 53126 1 904 . 1 . 1 156 156 TYR HA H 1 3.369 0.005 . 1 . . . . . 156 TYR HA . 53126 1 905 . 1 . 1 156 156 TYR HB2 H 1 2.702 0.000 . 1 . . . . . 156 TYR HB2 . 53126 1 906 . 1 . 1 156 156 TYR C C 13 177.000 0.001 . 1 . . . . . 156 TYR C . 53126 1 907 . 1 . 1 156 156 TYR CA C 13 60.986 0.000 . 1 . . . . . 156 TYR CA . 53126 1 908 . 1 . 1 156 156 TYR CB C 13 37.237 0.008 . 1 . . . . . 156 TYR CB . 53126 1 909 . 1 . 1 156 156 TYR N N 15 123.494 0.027 . 1 . . . . . 156 TYR N . 53126 1 910 . 1 . 1 157 157 SER H H 1 8.382 0.004 . 1 . . . . . 157 SER H . 53126 1 911 . 1 . 1 157 157 SER HB2 H 1 3.823 0.010 . 1 . . . . . 157 SER HB2 . 53126 1 912 . 1 . 1 157 157 SER C C 13 177.054 0.013 . 1 . . . . . 157 SER C . 53126 1 913 . 1 . 1 157 157 SER CA C 13 60.977 0.000 . 1 . . . . . 157 SER CA . 53126 1 914 . 1 . 1 157 157 SER CB C 13 61.630 0.000 . 1 . . . . . 157 SER CB . 53126 1 915 . 1 . 1 157 157 SER N N 15 112.134 0.031 . 1 . . . . . 157 SER N . 53126 1 916 . 1 . 1 158 158 ASP H H 1 7.289 0.004 . 1 . . . . . 158 ASP H . 53126 1 917 . 1 . 1 158 158 ASP HA H 1 4.197 0.035 . 1 . . . . . 158 ASP HA . 53126 1 918 . 1 . 1 158 158 ASP HB2 H 1 2.614 0.000 . 1 . . . . . 158 ASP HB2 . 53126 1 919 . 1 . 1 158 158 ASP C C 13 175.461 0.000 . 1 . . . . . 158 ASP C . 53126 1 920 . 1 . 1 158 158 ASP CA C 13 56.620 0.008 . 1 . . . . . 158 ASP CA . 53126 1 921 . 1 . 1 158 158 ASP CB C 13 40.775 0.023 . 1 . . . . . 158 ASP CB . 53126 1 922 . 1 . 1 158 158 ASP N N 15 122.522 0.057 . 1 . . . . . 158 ASP N . 53126 1 923 . 1 . 1 159 159 MET H H 1 6.789 0.015 . 1 . . . . . 159 MET H . 53126 1 924 . 1 . 1 159 159 MET HB2 H 1 2.867 0.000 . 1 . . . . . 159 MET HB2 . 53126 1 925 . 1 . 1 159 159 MET C C 13 177.606 0.010 . 1 . . . . . 159 MET C . 53126 1 926 . 1 . 1 159 159 MET CA C 13 57.974 0.013 . 1 . . . . . 159 MET CA . 53126 1 927 . 1 . 1 159 159 MET CB C 13 31.931 0.036 . 1 . . . . . 159 MET CB . 53126 1 928 . 1 . 1 159 159 MET N N 15 118.781 0.042 . 1 . . . . . 159 MET N . 53126 1 929 . 1 . 1 160 160 LYS H H 1 8.231 0.010 . 1 . . . . . 160 LYS H . 53126 1 930 . 1 . 1 160 160 LYS HA H 1 3.597 0.021 . 1 . . . . . 160 LYS HA . 53126 1 931 . 1 . 1 160 160 LYS HB2 H 1 1.298 0.000 . 2 . . . . . 160 LYS HB2 . 53126 1 932 . 1 . 1 160 160 LYS HB3 H 1 1.564 0.000 . 2 . . . . . 160 LYS HB3 . 53126 1 933 . 1 . 1 160 160 LYS C C 13 178.121 0.016 . 1 . . . . . 160 LYS C . 53126 1 934 . 1 . 1 160 160 LYS CA C 13 57.122 0.002 . 1 . . . . . 160 LYS CA . 53126 1 935 . 1 . 1 160 160 LYS CB C 13 30.527 0.093 . 1 . . . . . 160 LYS CB . 53126 1 936 . 1 . 1 160 160 LYS N N 15 117.636 0.053 . 1 . . . . . 160 LYS N . 53126 1 937 . 1 . 1 161 161 ARG H H 1 7.620 0.006 . 1 . . . . . 161 ARG H . 53126 1 938 . 1 . 1 161 161 ARG HA H 1 3.995 0.007 . 1 . . . . . 161 ARG HA . 53126 1 939 . 1 . 1 161 161 ARG HB2 H 1 1.886 0.000 . 1 . . . . . 161 ARG HB2 . 53126 1 940 . 1 . 1 161 161 ARG C C 13 178.511 0.018 . 1 . . . . . 161 ARG C . 53126 1 941 . 1 . 1 161 161 ARG CA C 13 59.062 0.000 . 1 . . . . . 161 ARG CA . 53126 1 942 . 1 . 1 161 161 ARG CB C 13 28.588 0.000 . 1 . . . . . 161 ARG CB . 53126 1 943 . 1 . 1 161 161 ARG N N 15 119.989 0.027 . 1 . . . . . 161 ARG N . 53126 1 944 . 1 . 1 162 162 ALA H H 1 7.489 0.006 . 1 . . . . . 162 ALA H . 53126 1 945 . 1 . 1 162 162 ALA HA H 1 3.610 0.011 . 1 . . . . . 162 ALA HA . 53126 1 946 . 1 . 1 162 162 ALA HB1 H 1 1.163 0.009 . 1 . . . . . 162 ALA HB1 . 53126 1 947 . 1 . 1 162 162 ALA HB2 H 1 1.163 0.009 . 1 . . . . . 162 ALA HB2 . 53126 1 948 . 1 . 1 162 162 ALA HB3 H 1 1.163 0.009 . 1 . . . . . 162 ALA HB3 . 53126 1 949 . 1 . 1 162 162 ALA C C 13 179.176 0.000 . 1 . . . . . 162 ALA C . 53126 1 950 . 1 . 1 162 162 ALA CA C 13 55.041 0.023 . 1 . . . . . 162 ALA CA . 53126 1 951 . 1 . 1 162 162 ALA CB C 13 18.185 0.036 . 1 . . . . . 162 ALA CB . 53126 1 952 . 1 . 1 162 162 ALA N N 15 120.688 0.053 . 1 . . . . . 162 ALA N . 53126 1 953 . 1 . 1 163 163 LEU H H 1 7.823 0.009 . 1 . . . . . 163 LEU H . 53126 1 954 . 1 . 1 163 163 LEU HA H 1 3.804 0.030 . 1 . . . . . 163 LEU HA . 53126 1 955 . 1 . 1 163 163 LEU HB2 H 1 1.679 0.015 . 1 . . . . . 163 LEU HB2 . 53126 1 956 . 1 . 1 163 163 LEU C C 13 178.556 0.000 . 1 . . . . . 163 LEU C . 53126 1 957 . 1 . 1 163 163 LEU CA C 13 58.066 0.000 . 1 . . . . . 163 LEU CA . 53126 1 958 . 1 . 1 163 163 LEU CB C 13 41.440 0.000 . 1 . . . . . 163 LEU CB . 53126 1 959 . 1 . 1 163 163 LEU N N 15 117.859 0.041 . 1 . . . . . 163 LEU N . 53126 1 960 . 1 . 1 164 164 ASP H H 1 8.179 0.009 . 1 . . . . . 164 ASP H . 53126 1 961 . 1 . 1 164 164 ASP HA H 1 4.387 0.003 . 1 . . . . . 164 ASP HA . 53126 1 962 . 1 . 1 164 164 ASP HB2 H 1 2.667 0.011 . 1 . . . . . 164 ASP HB2 . 53126 1 963 . 1 . 1 164 164 ASP C C 13 178.479 0.002 . 1 . . . . . 164 ASP C . 53126 1 964 . 1 . 1 164 164 ASP CA C 13 56.420 0.000 . 1 . . . . . 164 ASP CA . 53126 1 965 . 1 . 1 164 164 ASP CB C 13 40.940 0.000 . 1 . . . . . 164 ASP CB . 53126 1 966 . 1 . 1 164 164 ASP N N 15 116.044 0.033 . 1 . . . . . 164 ASP N . 53126 1 967 . 1 . 1 165 165 LYS H H 1 8.338 0.005 . 1 . . . . . 165 LYS H . 53126 1 968 . 1 . 1 165 165 LYS HA H 1 4.386 0.000 . 1 . . . . . 165 LYS HA . 53126 1 969 . 1 . 1 165 165 LYS HB2 H 1 1.736 0.000 . 1 . . . . . 165 LYS HB2 . 53126 1 970 . 1 . 1 165 165 LYS C C 13 178.531 0.000 . 1 . . . . . 165 LYS C . 53126 1 971 . 1 . 1 165 165 LYS CA C 13 56.912 0.000 . 1 . . . . . 165 LYS CA . 53126 1 972 . 1 . 1 165 165 LYS CB C 13 33.062 0.000 . 1 . . . . . 165 LYS CB . 53126 1 973 . 1 . 1 165 165 LYS N N 15 114.400 0.040 . 1 . . . . . 165 LYS N . 53126 1 974 . 1 . 1 166 166 LEU H H 1 8.424 0.007 . 1 . . . . . 166 LEU H . 53126 1 975 . 1 . 1 166 166 LEU HA H 1 4.676 0.000 . 1 . . . . . 166 LEU HA . 53126 1 976 . 1 . 1 166 166 LEU HB2 H 1 1.982 0.000 . 1 . . . . . 166 LEU HB2 . 53126 1 977 . 1 . 1 166 166 LEU C C 13 178.898 0.000 . 1 . . . . . 166 LEU C . 53126 1 978 . 1 . 1 166 166 LEU CA C 13 53.820 0.000 . 1 . . . . . 166 LEU CA . 53126 1 979 . 1 . 1 166 166 LEU CB C 13 40.802 0.000 . 1 . . . . . 166 LEU CB . 53126 1 980 . 1 . 1 166 166 LEU N N 15 114.096 0.091 . 1 . . . . . 166 LEU N . 53126 1 981 . 1 . 1 167 167 ASP H H 1 7.150 0.007 . 1 . . . . . 167 ASP H . 53126 1 982 . 1 . 1 167 167 ASP HA H 1 4.338 0.027 . 1 . . . . . 167 ASP HA . 53126 1 983 . 1 . 1 167 167 ASP HB2 H 1 3.127 0.000 . 2 . . . . . 167 ASP HB2 . 53126 1 984 . 1 . 1 167 167 ASP HB3 H 1 2.766 0.003 . 2 . . . . . 167 ASP HB3 . 53126 1 985 . 1 . 1 167 167 ASP C C 13 177.673 0.019 . 1 . . . . . 167 ASP C . 53126 1 986 . 1 . 1 167 167 ASP CA C 13 56.610 0.003 . 1 . . . . . 167 ASP CA . 53126 1 987 . 1 . 1 167 167 ASP CB C 13 40.951 0.021 . 1 . . . . . 167 ASP CB . 53126 1 988 . 1 . 1 167 167 ASP N N 15 121.111 0.029 . 1 . . . . . 167 ASP N . 53126 1 989 . 1 . 1 168 168 GLY H H 1 8.009 0.002 . 1 . . . . . 168 GLY H . 53126 1 990 . 1 . 1 168 168 GLY HA2 H 1 3.755 0.000 . 1 . . . . . 168 GLY HA2 . 53126 1 991 . 1 . 1 168 168 GLY C C 13 174.624 0.011 . 1 . . . . . 168 GLY C . 53126 1 992 . 1 . 1 168 168 GLY CA C 13 45.684 0.035 . 1 . . . . . 168 GLY CA . 53126 1 993 . 1 . 1 168 168 GLY N N 15 114.657 0.044 . 1 . . . . . 168 GLY N . 53126 1 994 . 1 . 1 169 169 THR H H 1 7.482 0.001 . 1 . . . . . 169 THR H . 53126 1 995 . 1 . 1 169 169 THR HA H 1 4.139 0.000 . 1 . . . . . 169 THR HA . 53126 1 996 . 1 . 1 169 169 THR C C 13 173.058 0.034 . 1 . . . . . 169 THR C . 53126 1 997 . 1 . 1 169 169 THR CA C 13 63.598 0.009 . 1 . . . . . 169 THR CA . 53126 1 998 . 1 . 1 169 169 THR CB C 13 69.454 0.008 . 1 . . . . . 169 THR CB . 53126 1 999 . 1 . 1 169 169 THR N N 15 115.394 0.033 . 1 . . . . . 169 THR N . 53126 1 1000 . 1 . 1 170 170 GLU H H 1 8.529 0.004 . 1 . . . . . 170 GLU H . 53126 1 1001 . 1 . 1 170 170 GLU HA H 1 4.252 0.000 . 1 . . . . . 170 GLU HA . 53126 1 1002 . 1 . 1 170 170 GLU HB2 H 1 1.958 0.000 . 1 . . . . . 170 GLU HB2 . 53126 1 1003 . 1 . 1 170 170 GLU C C 13 175.734 0.004 . 1 . . . . . 170 GLU C . 53126 1 1004 . 1 . 1 170 170 GLU CA C 13 56.206 0.009 . 1 . . . . . 170 GLU CA . 53126 1 1005 . 1 . 1 170 170 GLU CB C 13 29.771 0.002 . 1 . . . . . 170 GLU CB . 53126 1 1006 . 1 . 1 170 170 GLU N N 15 124.419 0.104 . 1 . . . . . 170 GLU N . 53126 1 1007 . 1 . 1 171 171 ILE H H 1 8.459 0.002 . 1 . . . . . 171 ILE H . 53126 1 1008 . 1 . 1 171 171 ILE C C 13 176.611 0.017 . 1 . . . . . 171 ILE C . 53126 1 1009 . 1 . 1 171 171 ILE CA C 13 61.075 0.000 . 1 . . . . . 171 ILE CA . 53126 1 1010 . 1 . 1 171 171 ILE CB C 13 38.326 0.000 . 1 . . . . . 171 ILE CB . 53126 1 1011 . 1 . 1 171 171 ILE N N 15 125.850 0.021 . 1 . . . . . 171 ILE N . 53126 1 1012 . 1 . 1 172 172 ASN H H 1 9.517 0.002 . 1 . . . . . 172 ASN H . 53126 1 1013 . 1 . 1 172 172 ASN HB2 H 1 2.711 0.000 . 2 . . . . . 172 ASN HB2 . 53126 1 1014 . 1 . 1 172 172 ASN HB3 H 1 3.068 0.000 . 2 . . . . . 172 ASN HB3 . 53126 1 1015 . 1 . 1 172 172 ASN C C 13 175.456 0.000 . 1 . . . . . 172 ASN C . 53126 1 1016 . 1 . 1 172 172 ASN CA C 13 53.979 0.012 . 1 . . . . . 172 ASN CA . 53126 1 1017 . 1 . 1 172 172 ASN CB C 13 37.067 0.053 . 1 . . . . . 172 ASN CB . 53126 1 1018 . 1 . 1 172 172 ASN N N 15 126.514 0.015 . 1 . . . . . 172 ASN N . 53126 1 1019 . 1 . 1 173 173 GLY H H 1 8.818 0.004 . 1 . . . . . 173 GLY H . 53126 1 1020 . 1 . 1 173 173 GLY HA2 H 1 3.667 0.000 . 2 . . . . . 173 GLY HA2 . 53126 1 1021 . 1 . 1 173 173 GLY HA3 H 1 4.078 0.000 . 2 . . . . . 173 GLY HA3 . 53126 1 1022 . 1 . 1 173 173 GLY C C 13 173.698 0.007 . 1 . . . . . 173 GLY C . 53126 1 1023 . 1 . 1 173 173 GLY CA C 13 45.314 0.003 . 1 . . . . . 173 GLY CA . 53126 1 1024 . 1 . 1 173 173 GLY N N 15 102.911 0.057 . 1 . . . . . 173 GLY N . 53126 1 1025 . 1 . 1 174 174 ARG H H 1 7.426 0.003 . 1 . . . . . 174 ARG H . 53126 1 1026 . 1 . 1 174 174 ARG HA H 1 4.625 0.000 . 1 . . . . . 174 ARG HA . 53126 1 1027 . 1 . 1 174 174 ARG HB2 H 1 1.728 0.000 . 1 . . . . . 174 ARG HB2 . 53126 1 1028 . 1 . 1 174 174 ARG C C 13 174.938 0.002 . 1 . . . . . 174 ARG C . 53126 1 1029 . 1 . 1 174 174 ARG CA C 13 54.120 0.009 . 1 . . . . . 174 ARG CA . 53126 1 1030 . 1 . 1 174 174 ARG CB C 13 32.762 0.024 . 1 . . . . . 174 ARG CB . 53126 1 1031 . 1 . 1 174 174 ARG N N 15 119.120 0.043 . 1 . . . . . 174 ARG N . 53126 1 1032 . 1 . 1 175 175 ASN H H 1 8.720 0.004 . 1 . . . . . 175 ASN H . 53126 1 1033 . 1 . 1 175 175 ASN HA H 1 4.754 0.016 . 1 . . . . . 175 ASN HA . 53126 1 1034 . 1 . 1 175 175 ASN HB2 H 1 2.482 0.013 . 1 . . . . . 175 ASN HB2 . 53126 1 1035 . 1 . 1 175 175 ASN C C 13 175.155 0.004 . 1 . . . . . 175 ASN C . 53126 1 1036 . 1 . 1 175 175 ASN CA C 13 53.281 0.006 . 1 . . . . . 175 ASN CA . 53126 1 1037 . 1 . 1 175 175 ASN CB C 13 37.863 0.001 . 1 . . . . . 175 ASN CB . 53126 1 1038 . 1 . 1 175 175 ASN N N 15 122.034 0.108 . 1 . . . . . 175 ASN N . 53126 1 1039 . 1 . 1 176 176 ILE H H 1 8.505 0.002 . 1 . . . . . 176 ILE H . 53126 1 1040 . 1 . 1 176 176 ILE HA H 1 4.357 0.000 . 1 . . . . . 176 ILE HA . 53126 1 1041 . 1 . 1 176 176 ILE HB H 1 1.883 0.000 . 1 . . . . . 176 ILE HB . 53126 1 1042 . 1 . 1 176 176 ILE C C 13 175.232 0.023 . 1 . . . . . 176 ILE C . 53126 1 1043 . 1 . 1 176 176 ILE CA C 13 61.508 0.000 . 1 . . . . . 176 ILE CA . 53126 1 1044 . 1 . 1 176 176 ILE CB C 13 38.727 0.000 . 1 . . . . . 176 ILE CB . 53126 1 1045 . 1 . 1 176 176 ILE N N 15 122.104 0.034 . 1 . . . . . 176 ILE N . 53126 1 1046 . 1 . 1 177 177 ARG H H 1 8.083 0.003 . 1 . . . . . 177 ARG H . 53126 1 1047 . 1 . 1 177 177 ARG HA H 1 5.086 0.015 . 1 . . . . . 177 ARG HA . 53126 1 1048 . 1 . 1 177 177 ARG HB2 H 1 1.718 0.006 . 1 . . . . . 177 ARG HB2 . 53126 1 1049 . 1 . 1 177 177 ARG C C 13 174.872 0.022 . 1 . . . . . 177 ARG C . 53126 1 1050 . 1 . 1 177 177 ARG CA C 13 53.702 0.008 . 1 . . . . . 177 ARG CA . 53126 1 1051 . 1 . 1 177 177 ARG CB C 13 32.122 0.003 . 1 . . . . . 177 ARG CB . 53126 1 1052 . 1 . 1 177 177 ARG N N 15 121.180 0.054 . 1 . . . . . 177 ARG N . 53126 1 1053 . 1 . 1 178 178 LEU H H 1 8.715 0.006 . 1 . . . . . 178 LEU H . 53126 1 1054 . 1 . 1 178 178 LEU HA H 1 5.373 0.000 . 1 . . . . . 178 LEU HA . 53126 1 1055 . 1 . 1 178 178 LEU C C 13 175.693 0.009 . 1 . . . . . 178 LEU C . 53126 1 1056 . 1 . 1 178 178 LEU CA C 13 52.634 0.013 . 1 . . . . . 178 LEU CA . 53126 1 1057 . 1 . 1 178 178 LEU CB C 13 43.522 0.000 . 1 . . . . . 178 LEU CB . 53126 1 1058 . 1 . 1 178 178 LEU N N 15 123.843 0.062 . 1 . . . . . 178 LEU N . 53126 1 1059 . 1 . 1 179 179 ILE H H 1 9.016 0.005 . 1 . . . . . 179 ILE H . 53126 1 1060 . 1 . 1 179 179 ILE HA H 1 4.337 0.017 . 1 . . . . . 179 ILE HA . 53126 1 1061 . 1 . 1 179 179 ILE HB H 1 1.814 0.007 . 1 . . . . . 179 ILE HB . 53126 1 1062 . 1 . 1 179 179 ILE C C 13 175.681 0.033 . 1 . . . . . 179 ILE C . 53126 1 1063 . 1 . 1 179 179 ILE CA C 13 58.935 0.000 . 1 . . . . . 179 ILE CA . 53126 1 1064 . 1 . 1 179 179 ILE CB C 13 40.857 0.000 . 1 . . . . . 179 ILE CB . 53126 1 1065 . 1 . 1 179 179 ILE N N 15 121.647 0.041 . 1 . . . . . 179 ILE N . 53126 1 1066 . 1 . 1 180 180 GLU H H 1 9.051 0.007 . 1 . . . . . 180 GLU H . 53126 1 1067 . 1 . 1 180 180 GLU HA H 1 4.371 0.028 . 1 . . . . . 180 GLU HA . 53126 1 1068 . 1 . 1 180 180 GLU HB2 H 1 1.890 0.000 . 1 . . . . . 180 GLU HB2 . 53126 1 1069 . 1 . 1 180 180 GLU C C 13 176.003 0.011 . 1 . . . . . 180 GLU C . 53126 1 1070 . 1 . 1 180 180 GLU CA C 13 56.920 0.000 . 1 . . . . . 180 GLU CA . 53126 1 1071 . 1 . 1 180 180 GLU CB C 13 29.682 0.000 . 1 . . . . . 180 GLU CB . 53126 1 1072 . 1 . 1 180 180 GLU N N 15 127.189 0.121 . 1 . . . . . 180 GLU N . 53126 1 1073 . 1 . 1 181 181 ASP H H 1 8.271 0.003 . 1 . . . . . 181 ASP H . 53126 1 1074 . 1 . 1 181 181 ASP HA H 1 4.720 0.004 . 1 . . . . . 181 ASP HA . 53126 1 1075 . 1 . 1 181 181 ASP HB2 H 1 2.745 0.000 . 2 . . . . . 181 ASP HB2 . 53126 1 1076 . 1 . 1 181 181 ASP HB3 H 1 2.331 0.000 . 2 . . . . . 181 ASP HB3 . 53126 1 1077 . 1 . 1 181 181 ASP C C 13 175.423 0.011 . 1 . . . . . 181 ASP C . 53126 1 1078 . 1 . 1 181 181 ASP CA C 13 53.812 0.000 . 1 . . . . . 181 ASP CA . 53126 1 1079 . 1 . 1 181 181 ASP CB C 13 41.320 0.011 . 1 . . . . . 181 ASP CB . 53126 1 1080 . 1 . 1 181 181 ASP N N 15 127.006 0.054 . 1 . . . . . 181 ASP N . 53126 1 1081 . 1 . 1 182 182 LYS H H 1 8.158 0.003 . 1 . . . . . 182 LYS H . 53126 1 1082 . 1 . 1 182 182 LYS HA H 1 4.683 0.000 . 1 . . . . . 182 LYS HA . 53126 1 1083 . 1 . 1 182 182 LYS HB2 H 1 1.799 0.000 . 1 . . . . . 182 LYS HB2 . 53126 1 1084 . 1 . 1 182 182 LYS C C 13 174.172 0.000 . 1 . . . . . 182 LYS C . 53126 1 1085 . 1 . 1 182 182 LYS CA C 13 53.818 0.000 . 1 . . . . . 182 LYS CA . 53126 1 1086 . 1 . 1 182 182 LYS CB C 13 31.833 0.000 . 1 . . . . . 182 LYS CB . 53126 1 1087 . 1 . 1 182 182 LYS N N 15 124.028 0.039 . 1 . . . . . 182 LYS N . 53126 1 1088 . 1 . 1 183 183 PRO HA H 1 4.452 0.000 . 1 . . . . . 183 PRO HA . 53126 1 1089 . 1 . 1 183 183 PRO HB2 H 1 2.283 0.000 . 2 . . . . . 183 PRO HB2 . 53126 1 1090 . 1 . 1 183 183 PRO HB3 H 1 1.896 0.000 . 2 . . . . . 183 PRO HB3 . 53126 1 1091 . 1 . 1 183 183 PRO C C 13 177.166 0.008 . 1 . . . . . 183 PRO C . 53126 1 1092 . 1 . 1 183 183 PRO CA C 13 62.722 0.000 . 1 . . . . . 183 PRO CA . 53126 1 1093 . 1 . 1 183 183 PRO CB C 13 31.320 0.000 . 1 . . . . . 183 PRO CB . 53126 1 1094 . 1 . 1 184 184 ARG H H 1 8.665 0.006 . 1 . . . . . 184 ARG H . 53126 1 1095 . 1 . 1 184 184 ARG HA H 1 4.377 0.000 . 1 . . . . . 184 ARG HA . 53126 1 1096 . 1 . 1 184 184 ARG HB2 H 1 1.844 0.003 . 1 . . . . . 184 ARG HB2 . 53126 1 1097 . 1 . 1 184 184 ARG C C 13 176.800 0.008 . 1 . . . . . 184 ARG C . 53126 1 1098 . 1 . 1 184 184 ARG CA C 13 55.811 0.000 . 1 . . . . . 184 ARG CA . 53126 1 1099 . 1 . 1 184 184 ARG CB C 13 29.883 0.000 . 1 . . . . . 184 ARG CB . 53126 1 1100 . 1 . 1 184 184 ARG N N 15 121.826 0.030 . 1 . . . . . 184 ARG N . 53126 1 1101 . 1 . 1 185 185 THR H H 1 8.211 0.001 . 1 . . . . . 185 THR H . 53126 1 1102 . 1 . 1 185 185 THR HA H 1 4.365 0.000 . 1 . . . . . 185 THR HA . 53126 1 1103 . 1 . 1 185 185 THR HB H 1 4.155 0.000 . 1 . . . . . 185 THR HB . 53126 1 1104 . 1 . 1 185 185 THR CA C 13 61.205 0.000 . 1 . . . . . 185 THR CA . 53126 1 1105 . 1 . 1 185 185 THR CB C 13 69.348 0.000 . 1 . . . . . 185 THR CB . 53126 1 1106 . 1 . 1 185 185 THR N N 15 114.585 0.058 . 1 . . . . . 185 THR N . 53126 1 1107 . 1 . 1 187 187 HIS HA H 1 4.622 0.000 . 1 . . . . . 187 HIS HA . 53126 1 1108 . 1 . 1 187 187 HIS HB2 H 1 3.124 0.000 . 1 . . . . . 187 HIS HB2 . 53126 1 1109 . 1 . 1 187 187 HIS C C 13 174.304 0.000 . 1 . . . . . 187 HIS C . 53126 1 1110 . 1 . 1 187 187 HIS CA C 13 55.702 0.000 . 1 . . . . . 187 HIS CA . 53126 1 1111 . 1 . 1 187 187 HIS CB C 13 29.838 0.000 . 1 . . . . . 187 HIS CB . 53126 1 1112 . 1 . 1 188 188 ARG H H 1 8.020 0.003 . 1 . . . . . 188 ARG H . 53126 1 1113 . 1 . 1 188 188 ARG HA H 1 4.108 0.000 . 1 . . . . . 188 ARG HA . 53126 1 1114 . 1 . 1 188 188 ARG HB2 H 1 1.745 0.000 . 1 . . . . . 188 ARG HB2 . 53126 1 1115 . 1 . 1 188 188 ARG C C 13 181.205 0.000 . 1 . . . . . 188 ARG C . 53126 1 1116 . 1 . 1 188 188 ARG CA C 13 57.173 0.000 . 1 . . . . . 188 ARG CA . 53126 1 1117 . 1 . 1 188 188 ARG CB C 13 30.384 0.000 . 1 . . . . . 188 ARG CB . 53126 1 1118 . 1 . 1 188 188 ARG N N 15 127.130 0.017 . 1 . . . . . 188 ARG N . 53126 1 stop_ save_