data_7271 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7271 _Entry.Title ; Backbone and sidechain 1H, 13C and 15N resonance assignments of AF2241 from Archaeoglobus fulgidus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-22 _Entry.Accession_date 2006-08-22 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Xuanjun Ai . . . 7271 2 Adelinda Yee . . . 7271 3 Cheryl Arrowsmith . H. . 7271 4 Shawn Li . S.C . 7271 5 Wing-Yiu Choy . . . 7271 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Department of Biochemistry, The University of Western Ontario' . 7271 . . 'Ontario Centre for Structural Proteomics, University Health Network' . 7271 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7271 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 501 7271 '15N chemical shifts' 122 7271 '1H chemical shifts' 829 7271 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-08-21 2006-08-22 update author 'complete the entry citation' 7271 1 . . 2007-03-29 2006-08-22 original author 'original release' 7271 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2NNZ 'BMRB Entry Tracking System' 7271 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7271 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17206469 _Citation.Full_citation . _Citation.Title 'Backbone and side chain 1H, 13C, and 15N resonance assignments of AF2241 from Archaeoglobus fulgidus' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 38 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 183 _Citation.Page_last 183 _Citation.Year 2007 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xuanjun Ai . . . 7271 1 2 Anthony Semesi . . . 7271 1 3 Adelinda Yee . . . 7271 1 4 Cheryl Arrowsmith . H. . 7271 1 5 Shawn Li . S.C. . 7271 1 6 Wing-Yiu Choy . . . 7271 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7271 _Assembly.ID 1 _Assembly.Name AF2241 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _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 AF2241 1 $AF2241 . . no native no no . . . 7271 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AF2241 _Entity.Sf_category entity _Entity.Sf_framecode AF2241 _Entity.Entry_ID 7271 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Structural Proteomics protein AF2241' _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 ; MGTSHHHHHHSSGRENLYFQ GHMGERGVEMRLRIRFESAE CEVELYEEWAPETVRAIADA LPIKSTANRWGDEIYFTTQV AVEKEENSKDVVELGDVAYW IPGKAICLFFGKTPISDDKI RPASAVNVIGRIVNSMEGLK GVADGESVVVERA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 153 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2NNZ . "Solution Structure Of The Hypothetical Protein Af2241 From Archaeoglobus Fulgidus" . . . . . 100.00 153 100.00 100.00 6.21e-108 . . . . 7271 1 2 no GB AAB89017 . "predicted coding region AF_2241 [Archaeoglobus fulgidus DSM 4304]" . . . . . 85.62 131 100.00 100.00 1.26e-88 . . . . 7271 1 3 no GB AIG99248 . "hypothetical protein AFULGI_00025340 [Archaeoglobus fulgidus DSM 8774]" . . . . . 81.05 124 100.00 100.00 2.54e-83 . . . . 7271 1 4 no REF NP_071066 . "hypothetical protein AF2241 [Archaeoglobus fulgidus DSM 4304]" . . . . . 85.62 131 100.00 100.00 1.26e-88 . . . . 7271 1 5 no REF WP_010879730 . "hypothetical protein [Archaeoglobus fulgidus]" . . . . . 85.62 131 100.00 100.00 1.26e-88 . . . . 7271 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 . 7271 1 2 . GLY . 7271 1 3 . THR . 7271 1 4 . SER . 7271 1 5 . HIS . 7271 1 6 . HIS . 7271 1 7 . HIS . 7271 1 8 . HIS . 7271 1 9 . HIS . 7271 1 10 . HIS . 7271 1 11 . SER . 7271 1 12 . SER . 7271 1 13 . GLY . 7271 1 14 . ARG . 7271 1 15 . GLU . 7271 1 16 . ASN . 7271 1 17 . LEU . 7271 1 18 . TYR . 7271 1 19 . PHE . 7271 1 20 . GLN . 7271 1 21 . GLY . 7271 1 22 . HIS . 7271 1 23 . MET . 7271 1 24 . GLY . 7271 1 25 . GLU . 7271 1 26 . ARG . 7271 1 27 . GLY . 7271 1 28 . VAL . 7271 1 29 . GLU . 7271 1 30 . MET . 7271 1 31 . ARG . 7271 1 32 . LEU . 7271 1 33 . ARG . 7271 1 34 . ILE . 7271 1 35 . ARG . 7271 1 36 . PHE . 7271 1 37 . GLU . 7271 1 38 . SER . 7271 1 39 . ALA . 7271 1 40 . GLU . 7271 1 41 . CYS . 7271 1 42 . GLU . 7271 1 43 . VAL . 7271 1 44 . GLU . 7271 1 45 . LEU . 7271 1 46 . TYR . 7271 1 47 . GLU . 7271 1 48 . GLU . 7271 1 49 . TRP . 7271 1 50 . ALA . 7271 1 51 . PRO . 7271 1 52 . GLU . 7271 1 53 . THR . 7271 1 54 . VAL . 7271 1 55 . ARG . 7271 1 56 . ALA . 7271 1 57 . ILE . 7271 1 58 . ALA . 7271 1 59 . ASP . 7271 1 60 . ALA . 7271 1 61 . LEU . 7271 1 62 . PRO . 7271 1 63 . ILE . 7271 1 64 . LYS . 7271 1 65 . SER . 7271 1 66 . THR . 7271 1 67 . ALA . 7271 1 68 . ASN . 7271 1 69 . ARG . 7271 1 70 . TRP . 7271 1 71 . GLY . 7271 1 72 . ASP . 7271 1 73 . GLU . 7271 1 74 . ILE . 7271 1 75 . TYR . 7271 1 76 . PHE . 7271 1 77 . THR . 7271 1 78 . THR . 7271 1 79 . GLN . 7271 1 80 . VAL . 7271 1 81 . ALA . 7271 1 82 . VAL . 7271 1 83 . GLU . 7271 1 84 . LYS . 7271 1 85 . GLU . 7271 1 86 . GLU . 7271 1 87 . ASN . 7271 1 88 . SER . 7271 1 89 . LYS . 7271 1 90 . ASP . 7271 1 91 . VAL . 7271 1 92 . VAL . 7271 1 93 . GLU . 7271 1 94 . LEU . 7271 1 95 . GLY . 7271 1 96 . ASP . 7271 1 97 . VAL . 7271 1 98 . ALA . 7271 1 99 . TYR . 7271 1 100 . TRP . 7271 1 101 . ILE . 7271 1 102 . PRO . 7271 1 103 . GLY . 7271 1 104 . LYS . 7271 1 105 . ALA . 7271 1 106 . ILE . 7271 1 107 . CYS . 7271 1 108 . LEU . 7271 1 109 . PHE . 7271 1 110 . PHE . 7271 1 111 . GLY . 7271 1 112 . LYS . 7271 1 113 . THR . 7271 1 114 . PRO . 7271 1 115 . ILE . 7271 1 116 . SER . 7271 1 117 . ASP . 7271 1 118 . ASP . 7271 1 119 . LYS . 7271 1 120 . ILE . 7271 1 121 . ARG . 7271 1 122 . PRO . 7271 1 123 . ALA . 7271 1 124 . SER . 7271 1 125 . ALA . 7271 1 126 . VAL . 7271 1 127 . ASN . 7271 1 128 . VAL . 7271 1 129 . ILE . 7271 1 130 . GLY . 7271 1 131 . ARG . 7271 1 132 . ILE . 7271 1 133 . VAL . 7271 1 134 . ASN . 7271 1 135 . SER . 7271 1 136 . MET . 7271 1 137 . GLU . 7271 1 138 . GLY . 7271 1 139 . LEU . 7271 1 140 . LYS . 7271 1 141 . GLY . 7271 1 142 . VAL . 7271 1 143 . ALA . 7271 1 144 . ASP . 7271 1 145 . GLY . 7271 1 146 . GLU . 7271 1 147 . SER . 7271 1 148 . VAL . 7271 1 149 . VAL . 7271 1 150 . VAL . 7271 1 151 . GLU . 7271 1 152 . ARG . 7271 1 153 . ALA . 7271 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 7271 1 . GLY 2 2 7271 1 . THR 3 3 7271 1 . SER 4 4 7271 1 . HIS 5 5 7271 1 . HIS 6 6 7271 1 . HIS 7 7 7271 1 . HIS 8 8 7271 1 . HIS 9 9 7271 1 . HIS 10 10 7271 1 . SER 11 11 7271 1 . SER 12 12 7271 1 . GLY 13 13 7271 1 . ARG 14 14 7271 1 . GLU 15 15 7271 1 . ASN 16 16 7271 1 . LEU 17 17 7271 1 . TYR 18 18 7271 1 . PHE 19 19 7271 1 . GLN 20 20 7271 1 . GLY 21 21 7271 1 . HIS 22 22 7271 1 . MET 23 23 7271 1 . GLY 24 24 7271 1 . GLU 25 25 7271 1 . ARG 26 26 7271 1 . GLY 27 27 7271 1 . VAL 28 28 7271 1 . GLU 29 29 7271 1 . MET 30 30 7271 1 . ARG 31 31 7271 1 . LEU 32 32 7271 1 . ARG 33 33 7271 1 . ILE 34 34 7271 1 . ARG 35 35 7271 1 . PHE 36 36 7271 1 . GLU 37 37 7271 1 . SER 38 38 7271 1 . ALA 39 39 7271 1 . GLU 40 40 7271 1 . CYS 41 41 7271 1 . GLU 42 42 7271 1 . VAL 43 43 7271 1 . GLU 44 44 7271 1 . LEU 45 45 7271 1 . TYR 46 46 7271 1 . GLU 47 47 7271 1 . GLU 48 48 7271 1 . TRP 49 49 7271 1 . ALA 50 50 7271 1 . PRO 51 51 7271 1 . GLU 52 52 7271 1 . THR 53 53 7271 1 . VAL 54 54 7271 1 . ARG 55 55 7271 1 . ALA 56 56 7271 1 . ILE 57 57 7271 1 . ALA 58 58 7271 1 . ASP 59 59 7271 1 . ALA 60 60 7271 1 . LEU 61 61 7271 1 . PRO 62 62 7271 1 . ILE 63 63 7271 1 . LYS 64 64 7271 1 . SER 65 65 7271 1 . THR 66 66 7271 1 . ALA 67 67 7271 1 . ASN 68 68 7271 1 . ARG 69 69 7271 1 . TRP 70 70 7271 1 . GLY 71 71 7271 1 . ASP 72 72 7271 1 . GLU 73 73 7271 1 . ILE 74 74 7271 1 . TYR 75 75 7271 1 . PHE 76 76 7271 1 . THR 77 77 7271 1 . THR 78 78 7271 1 . GLN 79 79 7271 1 . VAL 80 80 7271 1 . ALA 81 81 7271 1 . VAL 82 82 7271 1 . GLU 83 83 7271 1 . LYS 84 84 7271 1 . GLU 85 85 7271 1 . GLU 86 86 7271 1 . ASN 87 87 7271 1 . SER 88 88 7271 1 . LYS 89 89 7271 1 . ASP 90 90 7271 1 . VAL 91 91 7271 1 . VAL 92 92 7271 1 . GLU 93 93 7271 1 . LEU 94 94 7271 1 . GLY 95 95 7271 1 . ASP 96 96 7271 1 . VAL 97 97 7271 1 . ALA 98 98 7271 1 . TYR 99 99 7271 1 . TRP 100 100 7271 1 . ILE 101 101 7271 1 . PRO 102 102 7271 1 . GLY 103 103 7271 1 . LYS 104 104 7271 1 . ALA 105 105 7271 1 . ILE 106 106 7271 1 . CYS 107 107 7271 1 . LEU 108 108 7271 1 . PHE 109 109 7271 1 . PHE 110 110 7271 1 . GLY 111 111 7271 1 . LYS 112 112 7271 1 . THR 113 113 7271 1 . PRO 114 114 7271 1 . ILE 115 115 7271 1 . SER 116 116 7271 1 . ASP 117 117 7271 1 . ASP 118 118 7271 1 . LYS 119 119 7271 1 . ILE 120 120 7271 1 . ARG 121 121 7271 1 . PRO 122 122 7271 1 . ALA 123 123 7271 1 . SER 124 124 7271 1 . ALA 125 125 7271 1 . VAL 126 126 7271 1 . ASN 127 127 7271 1 . VAL 128 128 7271 1 . ILE 129 129 7271 1 . GLY 130 130 7271 1 . ARG 131 131 7271 1 . ILE 132 132 7271 1 . VAL 133 133 7271 1 . ASN 134 134 7271 1 . SER 135 135 7271 1 . MET 136 136 7271 1 . GLU 137 137 7271 1 . GLY 138 138 7271 1 . LEU 139 139 7271 1 . LYS 140 140 7271 1 . GLY 141 141 7271 1 . VAL 142 142 7271 1 . ALA 143 143 7271 1 . ASP 144 144 7271 1 . GLY 145 145 7271 1 . GLU 146 146 7271 1 . SER 147 147 7271 1 . VAL 148 148 7271 1 . VAL 149 149 7271 1 . VAL 150 150 7271 1 . GLU 151 151 7271 1 . ARG 152 152 7271 1 . ALA 153 153 7271 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 7271 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $AF2241 . 2234 . no . Archaea . . Archaea Euryarchaeota Archaeoglobaceae 'Archaeoglobus fulgidus' . . . . . . . . . . . . . . . . . . . . . 7271 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 7271 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $AF2241 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7271 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7271 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Structural Proteomics protein AF2241' '[U-13C; U-15N]' . . 1 $AF2241 . protein 0.3 . . mM . . . . 7271 1 2 NaCl . . . . . . salt 450 . . mM . . . . 7271 1 3 MOPS . . . . . . buffer 10 . . mM . . . . 7271 1 4 Zn2+ . . . . . . salt 10 . . uM . . . . 7271 1 5 DTT . . . . . . . 10 . . mM . . . . 7271 1 6 NaN3 . . . . . . . 0.01 . . % . . . . 7271 1 7 'Inhibitor mixture' . . . . . . . 1 . . x . . . . 7271 1 8 benzamidine . . . . . . . 1 . . mM . . . . 7271 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7271 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.01 pH 7271 1 temperature 298 0.1 K 7271 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7271 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityINOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7271 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H15N HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 2 1H13CHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 5 C(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 6 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 7 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 8 HC(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 9 '15N NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 10 '13C NOESY-HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 11 (HB)CB(CGCD)HD no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 12 (HB)CB(CGCDCE)HE no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 7271 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H13CHSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H13CHSQC _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H13CHSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_C(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode C(CO)NH _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-TOCSY _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HC(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HC(CO)NH _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_15N_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N_NOESY-HSQC _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C_NOESY-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C_NOESY-HSQC _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(HB)CB(CGCD)HD _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCD)HD _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name (HB)CB(CGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_(HB)CB(CGCDCE)HE _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode (HB)CB(CGCDCE)HE _NMR_spec_expt.Entry_ID 7271 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name (HB)CB(CGCDCE)HE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7271 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7271 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7271 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7271 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7271 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7271 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 25 25 GLU HA H 1 4.311 0.02 . 1 . . . . 3 GLU HA . 7271 1 2 . 1 1 25 25 GLU HB2 H 1 1.968 0.02 . 1 . . . . 3 GLU HB1 . 7271 1 3 . 1 1 25 25 GLU HB3 H 1 1.968 0.02 . 1 . . . . 3 GLU HB2 . 7271 1 4 . 1 1 25 25 GLU HG2 H 1 2.283 0.02 . 1 . . . . 3 GLU HG1 . 7271 1 5 . 1 1 25 25 GLU HG3 H 1 2.283 0.02 . 1 . . . . 3 GLU HG2 . 7271 1 6 . 1 1 25 25 GLU C C 13 173.564 0.3 . 1 . . . . 3 GLU C . 7271 1 7 . 1 1 25 25 GLU CA C 13 56.526 0.3 . 1 . . . . 3 GLU CA . 7271 1 8 . 1 1 25 25 GLU CB C 13 30.359 0.3 . 1 . . . . 3 GLU CB . 7271 1 9 . 1 1 25 25 GLU CG C 13 36.351 0.3 . 1 . . . . 3 GLU CG . 7271 1 10 . 1 1 26 26 ARG H H 1 8.465 0.02 . 1 . . . . 4 ARG HN . 7271 1 11 . 1 1 26 26 ARG HA H 1 4.358 0.02 . 1 . . . . 4 ARG HA . 7271 1 12 . 1 1 26 26 ARG HB2 H 1 1.843 0.02 . 2 . . . . 4 ARG HB1 . 7271 1 13 . 1 1 26 26 ARG HB3 H 1 1.730 0.02 . 2 . . . . 4 ARG HB2 . 7271 1 14 . 1 1 26 26 ARG HG2 H 1 1.615 0.02 . 1 . . . . 4 ARG HG1 . 7271 1 15 . 1 1 26 26 ARG HG3 H 1 1.615 0.02 . 1 . . . . 4 ARG HG2 . 7271 1 16 . 1 1 26 26 ARG HD2 H 1 3.094 0.02 . 1 . . . . 4 ARG HD1 . 7271 1 17 . 1 1 26 26 ARG HD3 H 1 3.094 0.02 . 1 . . . . 4 ARG HD2 . 7271 1 18 . 1 1 26 26 ARG C C 13 176.665 0.3 . 1 . . . . 4 ARG C . 7271 1 19 . 1 1 26 26 ARG CA C 13 56.030 0.3 . 1 . . . . 4 ARG CA . 7271 1 20 . 1 1 26 26 ARG CB C 13 30.981 0.3 . 1 . . . . 4 ARG CB . 7271 1 21 . 1 1 26 26 ARG CG C 13 27.075 0.3 . 1 . . . . 4 ARG CG . 7271 1 22 . 1 1 26 26 ARG CD C 13 43.215 0.3 . 1 . . . . 4 ARG CD . 7271 1 23 . 1 1 26 26 ARG N N 15 121.397 0.25 . 1 . . . . 4 ARG N . 7271 1 24 . 1 1 27 27 GLY H H 1 8.473 0.02 . 1 . . . . 5 GLY HN . 7271 1 25 . 1 1 27 27 GLY HA2 H 1 3.957 0.02 . 2 . . . . 5 GLY HA1 . 7271 1 26 . 1 1 27 27 GLY HA3 H 1 4.060 0.02 . 2 . . . . 5 GLY HA2 . 7271 1 27 . 1 1 27 27 GLY C C 13 173.922 0.3 . 1 . . . . 5 GLY C . 7271 1 28 . 1 1 27 27 GLY CA C 13 45.165 0.3 . 1 . . . . 5 GLY CA . 7271 1 29 . 1 1 27 27 GLY N N 15 109.956 0.25 . 1 . . . . 5 GLY N . 7271 1 30 . 1 1 28 28 VAL H H 1 8.253 0.02 . 1 . . . . 6 VAL HN . 7271 1 31 . 1 1 28 28 VAL HA H 1 4.141 0.02 . 1 . . . . 6 VAL HA . 7271 1 32 . 1 1 28 28 VAL HB H 1 2.101 0.02 . 1 . . . . 6 VAL HB . 7271 1 33 . 1 1 28 28 VAL HG11 H 1 0.941 0.02 . 2 . . . . 6 VAL HG1 . 7271 1 34 . 1 1 28 28 VAL HG12 H 1 0.941 0.02 . 2 . . . . 6 VAL HG1 . 7271 1 35 . 1 1 28 28 VAL HG13 H 1 0.941 0.02 . 2 . . . . 6 VAL HG1 . 7271 1 36 . 1 1 28 28 VAL HG21 H 1 0.941 0.02 . 2 . . . . 6 VAL HG2 . 7271 1 37 . 1 1 28 28 VAL HG22 H 1 0.941 0.02 . 2 . . . . 6 VAL HG2 . 7271 1 38 . 1 1 28 28 VAL HG23 H 1 0.941 0.02 . 2 . . . . 6 VAL HG2 . 7271 1 39 . 1 1 28 28 VAL C C 13 176.069 0.3 . 1 . . . . 6 VAL C . 7271 1 40 . 1 1 28 28 VAL CA C 13 62.533 0.3 . 1 . . . . 6 VAL CA . 7271 1 41 . 1 1 28 28 VAL CB C 13 32.614 0.3 . 1 . . . . 6 VAL CB . 7271 1 42 . 1 1 28 28 VAL CG1 C 13 21.066 0.3 . 1 . . . . 6 VAL CG1 . 7271 1 43 . 1 1 28 28 VAL CG2 C 13 21.066 0.3 . 1 . . . . 6 VAL CG2 . 7271 1 44 . 1 1 28 28 VAL N N 15 119.390 0.25 . 1 . . . . 6 VAL N . 7271 1 45 . 1 1 29 29 GLU H H 1 8.740 0.02 . 1 . . . . 7 GLU HN . 7271 1 46 . 1 1 29 29 GLU HA H 1 4.680 0.02 . 1 . . . . 7 GLU HA . 7271 1 47 . 1 1 29 29 GLU HB2 H 1 2.004 0.02 . 2 . . . . 7 GLU HB1 . 7271 1 48 . 1 1 29 29 GLU HB3 H 1 1.912 0.02 . 2 . . . . 7 GLU HB2 . 7271 1 49 . 1 1 29 29 GLU HG2 H 1 2.250 0.02 . 2 . . . . 7 GLU HG1 . 7271 1 50 . 1 1 29 29 GLU HG3 H 1 2.338 0.02 . 2 . . . . 7 GLU HG2 . 7271 1 51 . 1 1 29 29 GLU C C 13 175.401 0.3 . 1 . . . . 7 GLU C . 7271 1 52 . 1 1 29 29 GLU CA C 13 56.079 0.3 . 1 . . . . 7 GLU CA . 7271 1 53 . 1 1 29 29 GLU CB C 13 30.881 0.3 . 1 . . . . 7 GLU CB . 7271 1 54 . 1 1 29 29 GLU CG C 13 35.973 0.3 . 1 . . . . 7 GLU CG . 7271 1 55 . 1 1 29 29 GLU N N 15 125.690 0.25 . 1 . . . . 7 GLU N . 7271 1 56 . 1 1 30 30 MET H H 1 8.696 0.02 . 1 . . . . 8 MET HN . 7271 1 57 . 1 1 30 30 MET HA H 1 4.638 0.02 . 1 . . . . 8 MET HA . 7271 1 58 . 1 1 30 30 MET HB2 H 1 2.047 0.02 . 2 . . . . 8 MET HB1 . 7271 1 59 . 1 1 30 30 MET HB3 H 1 1.879 0.02 . 2 . . . . 8 MET HB2 . 7271 1 60 . 1 1 30 30 MET HG2 H 1 2.343 0.02 . 2 . . . . 8 MET HG1 . 7271 1 61 . 1 1 30 30 MET HG3 H 1 2.204 0.02 . 2 . . . . 8 MET HG2 . 7271 1 62 . 1 1 30 30 MET C C 13 175.091 0.3 . 1 . . . . 8 MET C . 7271 1 63 . 1 1 30 30 MET CA C 13 54.807 0.3 . 1 . . . . 8 MET CA . 7271 1 64 . 1 1 30 30 MET CB C 13 33.747 0.3 . 1 . . . . 8 MET CB . 7271 1 65 . 1 1 30 30 MET CG C 13 31.738 0.3 . 1 . . . . 8 MET CG . 7271 1 66 . 1 1 30 30 MET N N 15 123.026 0.25 . 1 . . . . 8 MET N . 7271 1 67 . 1 1 31 31 ARG H H 1 8.578 0.02 . 1 . . . . 9 ARG HN . 7271 1 68 . 1 1 31 31 ARG HA H 1 5.235 0.02 . 1 . . . . 9 ARG HA . 7271 1 69 . 1 1 31 31 ARG HB2 H 1 1.887 0.02 . 2 . . . . 9 ARG HB1 . 7271 1 70 . 1 1 31 31 ARG HB3 H 1 1.767 0.02 . 2 . . . . 9 ARG HB2 . 7271 1 71 . 1 1 31 31 ARG HG2 H 1 1.577 0.02 . 2 . . . . 9 ARG HG1 . 7271 1 72 . 1 1 31 31 ARG HG3 H 1 1.488 0.02 . 2 . . . . 9 ARG HG2 . 7271 1 73 . 1 1 31 31 ARG HD2 H 1 3.219 0.02 . 1 . . . . 9 ARG HD1 . 7271 1 74 . 1 1 31 31 ARG HD3 H 1 3.219 0.02 . 1 . . . . 9 ARG HD2 . 7271 1 75 . 1 1 31 31 ARG C C 13 175.520 0.3 . 1 . . . . 9 ARG C . 7271 1 76 . 1 1 31 31 ARG CA C 13 54.702 0.3 . 1 . . . . 9 ARG CA . 7271 1 77 . 1 1 31 31 ARG CB C 13 31.589 0.3 . 1 . . . . 9 ARG CB . 7271 1 78 . 1 1 31 31 ARG CG C 13 28.142 0.3 . 1 . . . . 9 ARG CG . 7271 1 79 . 1 1 31 31 ARG CD C 13 43.249 0.3 . 1 . . . . 9 ARG CD . 7271 1 80 . 1 1 31 31 ARG N N 15 126.555 0.25 . 1 . . . . 9 ARG N . 7271 1 81 . 1 1 32 32 LEU H H 1 9.337 0.02 . 1 . . . . 10 LEU HN . 7271 1 82 . 1 1 32 32 LEU HA H 1 5.086 0.02 . 1 . . . . 10 LEU HA . 7271 1 83 . 1 1 32 32 LEU HB2 H 1 1.523 0.02 . 2 . . . . 10 LEU HB1 . 7271 1 84 . 1 1 32 32 LEU HB3 H 1 1.309 0.02 . 2 . . . . 10 LEU HB2 . 7271 1 85 . 1 1 32 32 LEU HG H 1 1.465 0.02 . 1 . . . . 10 LEU HG . 7271 1 86 . 1 1 32 32 LEU HD11 H 1 0.638 0.02 . 2 . . . . 10 LEU HD1 . 7271 1 87 . 1 1 32 32 LEU HD12 H 1 0.638 0.02 . 2 . . . . 10 LEU HD1 . 7271 1 88 . 1 1 32 32 LEU HD13 H 1 0.638 0.02 . 2 . . . . 10 LEU HD1 . 7271 1 89 . 1 1 32 32 LEU HD21 H 1 0.751 0.02 . 2 . . . . 10 LEU HD2 . 7271 1 90 . 1 1 32 32 LEU HD22 H 1 0.751 0.02 . 2 . . . . 10 LEU HD2 . 7271 1 91 . 1 1 32 32 LEU HD23 H 1 0.751 0.02 . 2 . . . . 10 LEU HD2 . 7271 1 92 . 1 1 32 32 LEU C C 13 175.234 0.3 . 1 . . . . 10 LEU C . 7271 1 93 . 1 1 32 32 LEU CA C 13 52.889 0.3 . 1 . . . . 10 LEU CA . 7271 1 94 . 1 1 32 32 LEU CB C 13 44.318 0.3 . 1 . . . . 10 LEU CB . 7271 1 95 . 1 1 32 32 LEU CD1 C 13 25.230 0.3 . 1 . . . . 10 LEU CD1 . 7271 1 96 . 1 1 32 32 LEU CD2 C 13 24.300 0.3 . 1 . . . . 10 LEU CD2 . 7271 1 97 . 1 1 32 32 LEU N N 15 124.907 0.25 . 1 . . . . 10 LEU N . 7271 1 98 . 1 1 33 33 ARG H H 1 9.270 0.02 . 1 . . . . 11 ARG HN . 7271 1 99 . 1 1 33 33 ARG HA H 1 4.925 0.02 . 1 . . . . 11 ARG HA . 7271 1 100 . 1 1 33 33 ARG HB2 H 1 1.795 0.02 . 2 . . . . 11 ARG HB1 . 7271 1 101 . 1 1 33 33 ARG HB3 H 1 1.652 0.02 . 2 . . . . 11 ARG HB2 . 7271 1 102 . 1 1 33 33 ARG HG2 H 1 1.391 0.02 . 1 . . . . 11 ARG HG1 . 7271 1 103 . 1 1 33 33 ARG HG3 H 1 1.391 0.02 . 1 . . . . 11 ARG HG2 . 7271 1 104 . 1 1 33 33 ARG HD2 H 1 3.222 0.02 . 1 . . . . 11 ARG HD1 . 7271 1 105 . 1 1 33 33 ARG HD3 H 1 3.222 0.02 . 1 . . . . 11 ARG HD2 . 7271 1 106 . 1 1 33 33 ARG C C 13 174.375 0.3 . 1 . . . . 11 ARG C . 7271 1 107 . 1 1 33 33 ARG CA C 13 54.819 0.3 . 1 . . . . 11 ARG CA . 7271 1 108 . 1 1 33 33 ARG CB C 13 32.813 0.3 . 1 . . . . 11 ARG CB . 7271 1 109 . 1 1 33 33 ARG CG C 13 27.523 0.3 . 1 . . . . 11 ARG CG . 7271 1 110 . 1 1 33 33 ARG CD C 13 43.295 0.3 . 1 . . . . 11 ARG CD . 7271 1 111 . 1 1 33 33 ARG N N 15 122.716 0.25 . 1 . . . . 11 ARG N . 7271 1 112 . 1 1 34 34 ILE H H 1 8.924 0.02 . 1 . . . . 12 ILE HN . 7271 1 113 . 1 1 34 34 ILE HA H 1 4.590 0.02 . 1 . . . . 12 ILE HA . 7271 1 114 . 1 1 34 34 ILE HB H 1 1.976 0.02 . 1 . . . . 12 ILE HB . 7271 1 115 . 1 1 34 34 ILE HG12 H 1 1.571 0.02 . 1 . . . . 12 ILE HG11 . 7271 1 116 . 1 1 34 34 ILE HG13 H 1 1.029 0.02 . 1 . . . . 12 ILE HG12 . 7271 1 117 . 1 1 34 34 ILE HG21 H 1 0.176 0.02 . 1 . . . . 12 ILE HG2 . 7271 1 118 . 1 1 34 34 ILE HG22 H 1 0.176 0.02 . 1 . . . . 12 ILE HG2 . 7271 1 119 . 1 1 34 34 ILE HG23 H 1 0.176 0.02 . 1 . . . . 12 ILE HG2 . 7271 1 120 . 1 1 34 34 ILE HD11 H 1 0.893 0.02 . 1 . . . . 12 ILE HD1 . 7271 1 121 . 1 1 34 34 ILE HD12 H 1 0.893 0.02 . 1 . . . . 12 ILE HD1 . 7271 1 122 . 1 1 34 34 ILE HD13 H 1 0.893 0.02 . 1 . . . . 12 ILE HD1 . 7271 1 123 . 1 1 34 34 ILE C C 13 173.969 0.3 . 1 . . . . 12 ILE C . 7271 1 124 . 1 1 34 34 ILE CA C 13 61.008 0.3 . 1 . . . . 12 ILE CA . 7271 1 125 . 1 1 34 34 ILE CB C 13 37.313 0.3 . 1 . . . . 12 ILE CB . 7271 1 126 . 1 1 34 34 ILE CG1 C 13 27.330 0.3 . 1 . . . . 12 ILE CG1 . 7271 1 127 . 1 1 34 34 ILE CG2 C 13 18.926 0.3 . 1 . . . . 12 ILE CG2 . 7271 1 128 . 1 1 34 34 ILE CD1 C 13 14.449 0.3 . 1 . . . . 12 ILE CD1 . 7271 1 129 . 1 1 34 34 ILE N N 15 125.549 0.25 . 1 . . . . 12 ILE N . 7271 1 130 . 1 1 35 35 ARG H H 1 8.982 0.02 . 1 . . . . 13 ARG HN . 7271 1 131 . 1 1 35 35 ARG HA H 1 4.267 0.02 . 1 . . . . 13 ARG HA . 7271 1 132 . 1 1 35 35 ARG HB2 H 1 1.636 0.02 . 1 . . . . 13 ARG HB1 . 7271 1 133 . 1 1 35 35 ARG HB3 H 1 1.636 0.02 . 1 . . . . 13 ARG HB2 . 7271 1 134 . 1 1 35 35 ARG HG2 H 1 1.371 0.02 . 1 . . . . 13 ARG HG1 . 7271 1 135 . 1 1 35 35 ARG HG3 H 1 1.371 0.02 . 1 . . . . 13 ARG HG2 . 7271 1 136 . 1 1 35 35 ARG HD2 H 1 3.054 0.02 . 1 . . . . 13 ARG HD1 . 7271 1 137 . 1 1 35 35 ARG HD3 H 1 3.054 0.02 . 1 . . . . 13 ARG HD2 . 7271 1 138 . 1 1 35 35 ARG C C 13 175.592 0.3 . 1 . . . . 13 ARG C . 7271 1 139 . 1 1 35 35 ARG CA C 13 55.514 0.3 . 1 . . . . 13 ARG CA . 7271 1 140 . 1 1 35 35 ARG CB C 13 32.531 0.3 . 1 . . . . 13 ARG CB . 7271 1 141 . 1 1 35 35 ARG N N 15 126.193 0.25 . 1 . . . . 13 ARG N . 7271 1 142 . 1 1 36 36 PHE H H 1 8.594 0.02 . 1 . . . . 14 PHE HN . 7271 1 143 . 1 1 36 36 PHE HA H 1 5.651 0.02 . 1 . . . . 14 PHE HA . 7271 1 144 . 1 1 36 36 PHE HB2 H 1 3.897 0.02 . 2 . . . . 14 PHE HB1 . 7271 1 145 . 1 1 36 36 PHE HB3 H 1 2.983 0.02 . 2 . . . . 14 PHE HB2 . 7271 1 146 . 1 1 36 36 PHE HD1 H 1 6.917 0.02 . 3 . . . . 14 PHE HD1 . 7271 1 147 . 1 1 36 36 PHE C C 13 175.115 0.3 . 1 . . . . 14 PHE C . 7271 1 148 . 1 1 36 36 PHE CA C 13 56.212 0.3 . 1 . . . . 14 PHE CA . 7271 1 149 . 1 1 36 36 PHE CB C 13 38.995 0.3 . 1 . . . . 14 PHE CB . 7271 1 150 . 1 1 36 36 PHE N N 15 125.496 0.25 . 1 . . . . 14 PHE N . 7271 1 151 . 1 1 37 37 GLU H H 1 8.581 0.02 . 1 . . . . 15 GLU HN . 7271 1 152 . 1 1 37 37 GLU HA H 1 4.352 0.02 . 1 . . . . 15 GLU HA . 7271 1 153 . 1 1 37 37 GLU HB2 H 1 2.169 0.02 . 2 . . . . 15 GLU HB1 . 7271 1 154 . 1 1 37 37 GLU HB3 H 1 1.928 0.02 . 2 . . . . 15 GLU HB2 . 7271 1 155 . 1 1 37 37 GLU HG2 H 1 2.726 0.02 . 2 . . . . 15 GLU HG1 . 7271 1 156 . 1 1 37 37 GLU HG3 H 1 2.385 0.02 . 2 . . . . 15 GLU HG2 . 7271 1 157 . 1 1 37 37 GLU C C 13 180.101 0.3 . 1 . . . . 15 GLU C . 7271 1 158 . 1 1 37 37 GLU CA C 13 59.259 0.3 . 1 . . . . 15 GLU CA . 7271 1 159 . 1 1 37 37 GLU CB C 13 29.792 0.3 . 1 . . . . 15 GLU CB . 7271 1 160 . 1 1 37 37 GLU CG C 13 37.586 0.3 . 1 . . . . 15 GLU CG . 7271 1 161 . 1 1 37 37 GLU N N 15 120.347 0.25 . 1 . . . . 15 GLU N . 7271 1 162 . 1 1 38 38 SER H H 1 9.508 0.02 . 1 . . . . 16 SER HN . 7271 1 163 . 1 1 38 38 SER HA H 1 4.461 0.02 . 1 . . . . 16 SER HA . 7271 1 164 . 1 1 38 38 SER HB2 H 1 3.782 0.02 . 1 . . . . 16 SER HB1 . 7271 1 165 . 1 1 38 38 SER HB3 H 1 3.782 0.02 . 1 . . . . 16 SER HB2 . 7271 1 166 . 1 1 38 38 SER C C 13 173.922 0.3 . 1 . . . . 16 SER C . 7271 1 167 . 1 1 38 38 SER CA C 13 59.135 0.3 . 1 . . . . 16 SER CA . 7271 1 168 . 1 1 38 38 SER CB C 13 63.966 0.3 . 1 . . . . 16 SER CB . 7271 1 169 . 1 1 38 38 SER N N 15 113.311 0.25 . 1 . . . . 16 SER N . 7271 1 170 . 1 1 39 39 ALA H H 1 7.273 0.02 . 1 . . . . 17 ALA HN . 7271 1 171 . 1 1 39 39 ALA HA H 1 4.554 0.02 . 1 . . . . 17 ALA HA . 7271 1 172 . 1 1 39 39 ALA HB1 H 1 1.108 0.02 . 1 . . . . 17 ALA HB . 7271 1 173 . 1 1 39 39 ALA HB2 H 1 1.108 0.02 . 1 . . . . 17 ALA HB . 7271 1 174 . 1 1 39 39 ALA HB3 H 1 1.108 0.02 . 1 . . . . 17 ALA HB . 7271 1 175 . 1 1 39 39 ALA C C 13 174.470 0.3 . 1 . . . . 17 ALA C . 7271 1 176 . 1 1 39 39 ALA CA C 13 51.587 0.3 . 1 . . . . 17 ALA CA . 7271 1 177 . 1 1 39 39 ALA CB C 13 22.943 0.3 . 1 . . . . 17 ALA CB . 7271 1 178 . 1 1 39 39 ALA N N 15 120.590 0.25 . 1 . . . . 17 ALA N . 7271 1 179 . 1 1 40 40 GLU H H 1 8.379 0.02 . 1 . . . . 18 GLU HN . 7271 1 180 . 1 1 40 40 GLU HA H 1 5.447 0.02 . 1 . . . . 18 GLU HA . 7271 1 181 . 1 1 40 40 GLU HB2 H 1 2.118 0.02 . 1 . . . . 18 GLU HB1 . 7271 1 182 . 1 1 40 40 GLU HB3 H 1 2.118 0.02 . 1 . . . . 18 GLU HB2 . 7271 1 183 . 1 1 40 40 GLU HG2 H 1 2.176 0.02 . 1 . . . . 18 GLU HG1 . 7271 1 184 . 1 1 40 40 GLU HG3 H 1 2.176 0.02 . 1 . . . . 18 GLU HG2 . 7271 1 185 . 1 1 40 40 GLU C C 13 174.279 0.3 . 1 . . . . 18 GLU C . 7271 1 186 . 1 1 40 40 GLU CA C 13 54.510 0.3 . 1 . . . . 18 GLU CA . 7271 1 187 . 1 1 40 40 GLU CB C 13 34.193 0.3 . 1 . . . . 18 GLU CB . 7271 1 188 . 1 1 40 40 GLU CG C 13 35.615 0.3 . 1 . . . . 18 GLU CG . 7271 1 189 . 1 1 40 40 GLU N N 15 116.005 0.25 . 1 . . . . 18 GLU N . 7271 1 190 . 1 1 41 41 CYS H H 1 9.194 0.02 . 1 . . . . 19 CYS HN . 7271 1 191 . 1 1 41 41 CYS HA H 1 5.234 0.02 . 1 . . . . 19 CYS HA . 7271 1 192 . 1 1 41 41 CYS HB2 H 1 3.330 0.02 . 2 . . . . 19 CYS HB1 . 7271 1 193 . 1 1 41 41 CYS HB3 H 1 2.906 0.02 . 2 . . . . 19 CYS HB2 . 7271 1 194 . 1 1 41 41 CYS C C 13 171.727 0.3 . 1 . . . . 19 CYS C . 7271 1 195 . 1 1 41 41 CYS CA C 13 56.468 0.3 . 1 . . . . 19 CYS CA . 7271 1 196 . 1 1 41 41 CYS CB C 13 31.252 0.3 . 1 . . . . 19 CYS CB . 7271 1 197 . 1 1 41 41 CYS N N 15 115.241 0.25 . 1 . . . . 19 CYS N . 7271 1 198 . 1 1 42 42 GLU H H 1 8.141 0.02 . 1 . . . . 20 GLU HN . 7271 1 199 . 1 1 42 42 GLU HA H 1 5.526 0.02 . 1 . . . . 20 GLU HA . 7271 1 200 . 1 1 42 42 GLU HB2 H 1 1.909 0.02 . 2 . . . . 20 GLU HB1 . 7271 1 201 . 1 1 42 42 GLU HB3 H 1 1.840 0.02 . 2 . . . . 20 GLU HB2 . 7271 1 202 . 1 1 42 42 GLU HG2 H 1 2.375 0.02 . 2 . . . . 20 GLU HG1 . 7271 1 203 . 1 1 42 42 GLU HG3 H 1 2.102 0.02 . 2 . . . . 20 GLU HG2 . 7271 1 204 . 1 1 42 42 GLU C C 13 175.878 0.3 . 1 . . . . 20 GLU C . 7271 1 205 . 1 1 42 42 GLU CA C 13 54.805 0.3 . 1 . . . . 20 GLU CA . 7271 1 206 . 1 1 42 42 GLU CB C 13 33.410 0.3 . 1 . . . . 20 GLU CB . 7271 1 207 . 1 1 42 42 GLU CG C 13 37.312 0.3 . 1 . . . . 20 GLU CG . 7271 1 208 . 1 1 42 42 GLU N N 15 118.819 0.25 . 1 . . . . 20 GLU N . 7271 1 209 . 1 1 43 43 VAL H H 1 9.036 0.02 . 1 . . . . 21 VAL HN . 7271 1 210 . 1 1 43 43 VAL HA H 1 5.365 0.02 . 1 . . . . 21 VAL HA . 7271 1 211 . 1 1 43 43 VAL HB H 1 2.009 0.02 . 1 . . . . 21 VAL HB . 7271 1 212 . 1 1 43 43 VAL HG11 H 1 0.905 0.02 . 2 . . . . 21 VAL HG1 . 7271 1 213 . 1 1 43 43 VAL HG12 H 1 0.905 0.02 . 2 . . . . 21 VAL HG1 . 7271 1 214 . 1 1 43 43 VAL HG13 H 1 0.905 0.02 . 2 . . . . 21 VAL HG1 . 7271 1 215 . 1 1 43 43 VAL HG21 H 1 0.798 0.02 . 2 . . . . 21 VAL HG2 . 7271 1 216 . 1 1 43 43 VAL HG22 H 1 0.798 0.02 . 2 . . . . 21 VAL HG2 . 7271 1 217 . 1 1 43 43 VAL HG23 H 1 0.798 0.02 . 2 . . . . 21 VAL HG2 . 7271 1 218 . 1 1 43 43 VAL C C 13 173.755 0.3 . 1 . . . . 21 VAL C . 7271 1 219 . 1 1 43 43 VAL CA C 13 57.887 0.3 . 1 . . . . 21 VAL CA . 7271 1 220 . 1 1 43 43 VAL CB C 13 35.615 0.3 . 1 . . . . 21 VAL CB . 7271 1 221 . 1 1 43 43 VAL CG1 C 13 22.752 0.3 . 1 . . . . 21 VAL CG1 . 7271 1 222 . 1 1 43 43 VAL CG2 C 13 20.644 0.3 . 1 . . . . 21 VAL CG2 . 7271 1 223 . 1 1 43 43 VAL N N 15 115.851 0.25 . 1 . . . . 21 VAL N . 7271 1 224 . 1 1 44 44 GLU H H 1 8.990 0.02 . 1 . . . . 22 GLU HN . 7271 1 225 . 1 1 44 44 GLU HA H 1 5.074 0.02 . 1 . . . . 22 GLU HA . 7271 1 226 . 1 1 44 44 GLU HB2 H 1 1.702 0.02 . 2 . . . . 22 GLU HB1 . 7271 1 227 . 1 1 44 44 GLU HB3 H 1 1.646 0.02 . 2 . . . . 22 GLU HB2 . 7271 1 228 . 1 1 44 44 GLU HG2 H 1 2.120 0.02 . 2 . . . . 22 GLU HG1 . 7271 1 229 . 1 1 44 44 GLU HG3 H 1 1.981 0.02 . 2 . . . . 22 GLU HG2 . 7271 1 230 . 1 1 44 44 GLU C C 13 174.303 0.3 . 1 . . . . 22 GLU C . 7271 1 231 . 1 1 44 44 GLU CA C 13 54.539 0.3 . 1 . . . . 22 GLU CA . 7271 1 232 . 1 1 44 44 GLU CB C 13 32.429 0.3 . 1 . . . . 22 GLU CB . 7271 1 233 . 1 1 44 44 GLU CG C 13 37.362 0.3 . 1 . . . . 22 GLU CG . 7271 1 234 . 1 1 44 44 GLU N N 15 122.176 0.25 . 1 . . . . 22 GLU N . 7271 1 235 . 1 1 45 45 LEU H H 1 8.294 0.02 . 1 . . . . 23 LEU HN . 7271 1 236 . 1 1 45 45 LEU HA H 1 4.700 0.02 . 1 . . . . 23 LEU HA . 7271 1 237 . 1 1 45 45 LEU HB2 H 1 1.628 0.02 . 2 . . . . 23 LEU HB1 . 7271 1 238 . 1 1 45 45 LEU HB3 H 1 1.384 0.02 . 2 . . . . 23 LEU HB2 . 7271 1 239 . 1 1 45 45 LEU HG H 1 0.805 0.02 . 1 . . . . 23 LEU HG . 7271 1 240 . 1 1 45 45 LEU HD11 H 1 0.610 0.02 . 2 . . . . 23 LEU HD1 . 7271 1 241 . 1 1 45 45 LEU HD12 H 1 0.610 0.02 . 2 . . . . 23 LEU HD1 . 7271 1 242 . 1 1 45 45 LEU HD13 H 1 0.610 0.02 . 2 . . . . 23 LEU HD1 . 7271 1 243 . 1 1 45 45 LEU HD21 H 1 0.610 0.02 . 2 . . . . 23 LEU HD2 . 7271 1 244 . 1 1 45 45 LEU HD22 H 1 0.610 0.02 . 2 . . . . 23 LEU HD2 . 7271 1 245 . 1 1 45 45 LEU HD23 H 1 0.610 0.02 . 2 . . . . 23 LEU HD2 . 7271 1 246 . 1 1 45 45 LEU C C 13 176.284 0.3 . 1 . . . . 23 LEU C . 7271 1 247 . 1 1 45 45 LEU CA C 13 52.510 0.3 . 1 . . . . 23 LEU CA . 7271 1 248 . 1 1 45 45 LEU CB C 13 43.614 0.3 . 1 . . . . 23 LEU CB . 7271 1 249 . 1 1 45 45 LEU CG C 13 26.445 0.3 . 1 . . . . 23 LEU CG . 7271 1 250 . 1 1 45 45 LEU CD1 C 13 23.244 0.3 . 1 . . . . 23 LEU CD1 . 7271 1 251 . 1 1 45 45 LEU CD2 C 13 23.244 0.3 . 1 . . . . 23 LEU CD2 . 7271 1 252 . 1 1 45 45 LEU N N 15 119.061 0.25 . 1 . . . . 23 LEU N . 7271 1 253 . 1 1 46 46 TYR H H 1 7.959 0.02 . 1 . . . . 24 TYR HN . 7271 1 254 . 1 1 46 46 TYR HA H 1 4.855 0.02 . 1 . . . . 24 TYR HA . 7271 1 255 . 1 1 46 46 TYR HB2 H 1 2.325 0.02 . 2 . . . . 24 TYR HB1 . 7271 1 256 . 1 1 46 46 TYR HB3 H 1 1.532 0.02 . 2 . . . . 24 TYR HB2 . 7271 1 257 . 1 1 46 46 TYR HD1 H 1 5.743 0.02 . 3 . . . . 24 TYR HD1 . 7271 1 258 . 1 1 46 46 TYR C C 13 175.568 0.3 . 1 . . . . 24 TYR C . 7271 1 259 . 1 1 46 46 TYR CA C 13 55.201 0.3 . 1 . . . . 24 TYR CA . 7271 1 260 . 1 1 46 46 TYR CB C 13 37.061 0.3 . 1 . . . . 24 TYR CB . 7271 1 261 . 1 1 46 46 TYR N N 15 120.703 0.25 . 1 . . . . 24 TYR N . 7271 1 262 . 1 1 47 47 GLU H H 1 8.926 0.02 . 1 . . . . 25 GLU HN . 7271 1 263 . 1 1 47 47 GLU HA H 1 3.642 0.02 . 1 . . . . 25 GLU HA . 7271 1 264 . 1 1 47 47 GLU HB2 H 1 2.077 0.02 . 1 . . . . 25 GLU HB1 . 7271 1 265 . 1 1 47 47 GLU HB3 H 1 2.077 0.02 . 1 . . . . 25 GLU HB2 . 7271 1 266 . 1 1 47 47 GLU HG2 H 1 2.296 0.02 . 1 . . . . 25 GLU HG1 . 7271 1 267 . 1 1 47 47 GLU HG3 H 1 2.296 0.02 . 1 . . . . 25 GLU HG2 . 7271 1 268 . 1 1 47 47 GLU C C 13 176.713 0.3 . 1 . . . . 25 GLU C . 7271 1 269 . 1 1 47 47 GLU CA C 13 59.637 0.3 . 1 . . . . 25 GLU CA . 7271 1 270 . 1 1 47 47 GLU CB C 13 30.165 0.3 . 1 . . . . 25 GLU CB . 7271 1 271 . 1 1 47 47 GLU CG C 13 36.743 0.3 . 1 . . . . 25 GLU CG . 7271 1 272 . 1 1 47 47 GLU N N 15 128.188 0.25 . 1 . . . . 25 GLU N . 7271 1 273 . 1 1 48 48 GLU H H 1 9.056 0.02 . 1 . . . . 26 GLU HN . 7271 1 274 . 1 1 48 48 GLU HA H 1 4.081 0.02 . 1 . . . . 26 GLU HA . 7271 1 275 . 1 1 48 48 GLU HB2 H 1 2.052 0.02 . 1 . . . . 26 GLU HB1 . 7271 1 276 . 1 1 48 48 GLU HB3 H 1 2.052 0.02 . 1 . . . . 26 GLU HB2 . 7271 1 277 . 1 1 48 48 GLU HG2 H 1 2.442 0.02 . 2 . . . . 26 GLU HG1 . 7271 1 278 . 1 1 48 48 GLU HG3 H 1 2.369 0.02 . 2 . . . . 26 GLU HG2 . 7271 1 279 . 1 1 48 48 GLU C C 13 178.550 0.3 . 1 . . . . 26 GLU C . 7271 1 280 . 1 1 48 48 GLU CA C 13 58.565 0.3 . 1 . . . . 26 GLU CA . 7271 1 281 . 1 1 48 48 GLU CB C 13 29.664 0.3 . 1 . . . . 26 GLU CB . 7271 1 282 . 1 1 48 48 GLU CG C 13 36.777 0.3 . 1 . . . . 26 GLU CG . 7271 1 283 . 1 1 48 48 GLU N N 15 113.458 0.25 . 1 . . . . 26 GLU N . 7271 1 284 . 1 1 49 49 TRP H H 1 7.647 0.02 . 1 . . . . 27 TRP HN . 7271 1 285 . 1 1 49 49 TRP HA H 1 4.779 0.02 . 1 . . . . 27 TRP HA . 7271 1 286 . 1 1 49 49 TRP HB2 H 1 3.666 0.02 . 2 . . . . 27 TRP HB1 . 7271 1 287 . 1 1 49 49 TRP HB3 H 1 3.459 0.02 . 2 . . . . 27 TRP HB2 . 7271 1 288 . 1 1 49 49 TRP HD1 H 1 6.934 0.02 . 1 . . . . 27 TRP HD1 . 7271 1 289 . 1 1 49 49 TRP HE1 H 1 10.493 0.02 . 1 . . . . 27 TRP HE1 . 7271 1 290 . 1 1 49 49 TRP C C 13 176.785 0.3 . 1 . . . . 27 TRP C . 7271 1 291 . 1 1 49 49 TRP CA C 13 57.403 0.3 . 1 . . . . 27 TRP CA . 7271 1 292 . 1 1 49 49 TRP CB C 13 29.873 0.3 . 1 . . . . 27 TRP CB . 7271 1 293 . 1 1 49 49 TRP N N 15 117.217 0.25 . 1 . . . . 27 TRP N . 7271 1 294 . 1 1 49 49 TRP NE1 N 15 131.284 0.25 . 1 . . . . 27 TRP NE1 . 7271 1 295 . 1 1 50 50 ALA H H 1 6.890 0.02 . 1 . . . . 28 ALA HN . 7271 1 296 . 1 1 50 50 ALA HA H 1 4.633 0.02 . 1 . . . . 28 ALA HA . 7271 1 297 . 1 1 50 50 ALA HB1 H 1 1.398 0.02 . 1 . . . . 28 ALA HB . 7271 1 298 . 1 1 50 50 ALA HB2 H 1 1.398 0.02 . 1 . . . . 28 ALA HB . 7271 1 299 . 1 1 50 50 ALA HB3 H 1 1.398 0.02 . 1 . . . . 28 ALA HB . 7271 1 300 . 1 1 50 50 ALA CA C 13 50.476 0.3 . 1 . . . . 28 ALA CA . 7271 1 301 . 1 1 50 50 ALA CB C 13 20.151 0.3 . 1 . . . . 28 ALA CB . 7271 1 302 . 1 1 50 50 ALA N N 15 117.671 0.25 . 1 . . . . 28 ALA N . 7271 1 303 . 1 1 51 51 PRO HA H 1 4.379 0.02 . 1 . . . . 29 PRO HA . 7271 1 304 . 1 1 51 51 PRO HB2 H 1 2.397 0.02 . 2 . . . . 29 PRO HB1 . 7271 1 305 . 1 1 51 51 PRO HB3 H 1 1.960 0.02 . 2 . . . . 29 PRO HB2 . 7271 1 306 . 1 1 51 51 PRO HG2 H 1 2.191 0.02 . 1 . . . . 29 PRO HG1 . 7271 1 307 . 1 1 51 51 PRO HG3 H 1 2.191 0.02 . 1 . . . . 29 PRO HG2 . 7271 1 308 . 1 1 51 51 PRO HD2 H 1 3.696 0.02 . 2 . . . . 29 PRO HD1 . 7271 1 309 . 1 1 51 51 PRO HD3 H 1 3.586 0.02 . 2 . . . . 29 PRO HD2 . 7271 1 310 . 1 1 51 51 PRO C C 13 180.268 0.3 . 1 . . . . 29 PRO C . 7271 1 311 . 1 1 51 51 PRO CA C 13 66.699 0.3 . 1 . . . . 29 PRO CA . 7271 1 312 . 1 1 51 51 PRO CB C 13 32.164 0.3 . 1 . . . . 29 PRO CB . 7271 1 313 . 1 1 51 51 PRO CG C 13 27.449 0.3 . 1 . . . . 29 PRO CG . 7271 1 314 . 1 1 51 51 PRO CD C 13 49.755 0.3 . 1 . . . . 29 PRO CD . 7271 1 315 . 1 1 52 52 GLU H H 1 10.670 0.02 . 1 . . . . 30 GLU HN . 7271 1 316 . 1 1 52 52 GLU HA H 1 4.014 0.02 . 1 . . . . 30 GLU HA . 7271 1 317 . 1 1 52 52 GLU HB2 H 1 1.972 0.02 . 1 . . . . 30 GLU HB1 . 7271 1 318 . 1 1 52 52 GLU HB3 H 1 1.972 0.02 . 1 . . . . 30 GLU HB2 . 7271 1 319 . 1 1 52 52 GLU HG2 H 1 2.378 0.02 . 2 . . . . 30 GLU HG1 . 7271 1 320 . 1 1 52 52 GLU HG3 H 1 2.206 0.02 . 2 . . . . 30 GLU HG2 . 7271 1 321 . 1 1 52 52 GLU C C 13 180.841 0.3 . 1 . . . . 30 GLU C . 7271 1 322 . 1 1 52 52 GLU CA C 13 59.944 0.3 . 1 . . . . 30 GLU CA . 7271 1 323 . 1 1 52 52 GLU CB C 13 28.729 0.3 . 1 . . . . 30 GLU CB . 7271 1 324 . 1 1 52 52 GLU CG C 13 37.036 0.3 . 1 . . . . 30 GLU CG . 7271 1 325 . 1 1 52 52 GLU N N 15 120.930 0.25 . 1 . . . . 30 GLU N . 7271 1 326 . 1 1 53 53 THR H H 1 10.328 0.02 . 1 . . . . 31 THR HN . 7271 1 327 . 1 1 53 53 THR HA H 1 4.101 0.02 . 1 . . . . 31 THR HA . 7271 1 328 . 1 1 53 53 THR HB H 1 3.499 0.02 . 1 . . . . 31 THR HB . 7271 1 329 . 1 1 53 53 THR HG21 H 1 0.744 0.02 . 1 . . . . 31 THR HG2 . 7271 1 330 . 1 1 53 53 THR HG22 H 1 0.744 0.02 . 1 . . . . 31 THR HG2 . 7271 1 331 . 1 1 53 53 THR HG23 H 1 0.744 0.02 . 1 . . . . 31 THR HG2 . 7271 1 332 . 1 1 53 53 THR C C 13 176.212 0.3 . 1 . . . . 31 THR C . 7271 1 333 . 1 1 53 53 THR CA C 13 67.985 0.3 . 1 . . . . 31 THR CA . 7271 1 334 . 1 1 53 53 THR CB C 13 67.985 0.3 . 1 . . . . 31 THR CB . 7271 1 335 . 1 1 53 53 THR CG2 C 13 22.400 0.3 . 1 . . . . 31 THR CG2 . 7271 1 336 . 1 1 53 53 THR N N 15 120.335 0.25 . 1 . . . . 31 THR N . 7271 1 337 . 1 1 54 54 VAL H H 1 8.813 0.02 . 1 . . . . 32 VAL HN . 7271 1 338 . 1 1 54 54 VAL HA H 1 3.319 0.02 . 1 . . . . 32 VAL HA . 7271 1 339 . 1 1 54 54 VAL HB H 1 2.046 0.02 . 1 . . . . 32 VAL HB . 7271 1 340 . 1 1 54 54 VAL HG11 H 1 0.808 0.02 . 2 . . . . 32 VAL HG1 . 7271 1 341 . 1 1 54 54 VAL HG12 H 1 0.808 0.02 . 2 . . . . 32 VAL HG1 . 7271 1 342 . 1 1 54 54 VAL HG13 H 1 0.808 0.02 . 2 . . . . 32 VAL HG1 . 7271 1 343 . 1 1 54 54 VAL HG21 H 1 0.808 0.02 . 2 . . . . 32 VAL HG2 . 7271 1 344 . 1 1 54 54 VAL HG22 H 1 0.808 0.02 . 2 . . . . 32 VAL HG2 . 7271 1 345 . 1 1 54 54 VAL HG23 H 1 0.808 0.02 . 2 . . . . 32 VAL HG2 . 7271 1 346 . 1 1 54 54 VAL C C 13 177.357 0.3 . 1 . . . . 32 VAL C . 7271 1 347 . 1 1 54 54 VAL CA C 13 67.926 0.3 . 1 . . . . 32 VAL CA . 7271 1 348 . 1 1 54 54 VAL CB C 13 31.660 0.3 . 1 . . . . 32 VAL CB . 7271 1 349 . 1 1 54 54 VAL CG1 C 13 21.705 0.3 . 1 . . . . 32 VAL CG1 . 7271 1 350 . 1 1 54 54 VAL CG2 C 13 21.705 0.3 . 1 . . . . 32 VAL CG2 . 7271 1 351 . 1 1 54 54 VAL N N 15 119.608 0.25 . 1 . . . . 32 VAL N . 7271 1 352 . 1 1 55 55 ARG H H 1 7.907 0.02 . 1 . . . . 33 ARG HN . 7271 1 353 . 1 1 55 55 ARG HA H 1 3.932 0.02 . 1 . . . . 33 ARG HA . 7271 1 354 . 1 1 55 55 ARG HB2 H 1 1.948 0.02 . 2 . . . . 33 ARG HB1 . 7271 1 355 . 1 1 55 55 ARG HB3 H 1 1.861 0.02 . 2 . . . . 33 ARG HB2 . 7271 1 356 . 1 1 55 55 ARG HG2 H 1 1.616 0.02 . 1 . . . . 33 ARG HG1 . 7271 1 357 . 1 1 55 55 ARG HG3 H 1 1.616 0.02 . 1 . . . . 33 ARG HG2 . 7271 1 358 . 1 1 55 55 ARG HD2 H 1 3.205 0.02 . 2 . . . . 33 ARG HD1 . 7271 1 359 . 1 1 55 55 ARG HD3 H 1 3.103 0.02 . 2 . . . . 33 ARG HD2 . 7271 1 360 . 1 1 55 55 ARG C C 13 178.145 0.3 . 1 . . . . 33 ARG C . 7271 1 361 . 1 1 55 55 ARG CA C 13 59.428 0.3 . 1 . . . . 33 ARG CA . 7271 1 362 . 1 1 55 55 ARG CB C 13 29.864 0.3 . 1 . . . . 33 ARG CB . 7271 1 363 . 1 1 55 55 ARG CG C 13 27.883 0.3 . 1 . . . . 33 ARG CG . 7271 1 364 . 1 1 55 55 ARG CD C 13 43.464 0.3 . 1 . . . . 33 ARG CD . 7271 1 365 . 1 1 55 55 ARG N N 15 118.199 0.25 . 1 . . . . 33 ARG N . 7271 1 366 . 1 1 56 56 ALA H H 1 7.684 0.02 . 1 . . . . 34 ALA HN . 7271 1 367 . 1 1 56 56 ALA HA H 1 4.119 0.02 . 1 . . . . 34 ALA HA . 7271 1 368 . 1 1 56 56 ALA HB1 H 1 1.360 0.02 . 1 . . . . 34 ALA HB . 7271 1 369 . 1 1 56 56 ALA HB2 H 1 1.360 0.02 . 1 . . . . 34 ALA HB . 7271 1 370 . 1 1 56 56 ALA HB3 H 1 1.360 0.02 . 1 . . . . 34 ALA HB . 7271 1 371 . 1 1 56 56 ALA C C 13 181.079 0.3 . 1 . . . . 34 ALA C . 7271 1 372 . 1 1 56 56 ALA CA C 13 54.712 0.3 . 1 . . . . 34 ALA CA . 7271 1 373 . 1 1 56 56 ALA CB C 13 18.981 0.3 . 1 . . . . 34 ALA CB . 7271 1 374 . 1 1 56 56 ALA N N 15 120.062 0.25 . 1 . . . . 34 ALA N . 7271 1 375 . 1 1 57 57 ILE H H 1 7.895 0.02 . 1 . . . . 35 ILE HN . 7271 1 376 . 1 1 57 57 ILE HA H 1 3.517 0.02 . 1 . . . . 35 ILE HA . 7271 1 377 . 1 1 57 57 ILE HB H 1 1.789 0.02 . 1 . . . . 35 ILE HB . 7271 1 378 . 1 1 57 57 ILE HG12 H 1 0.729 0.02 . 1 . . . . 35 ILE HG11 . 7271 1 379 . 1 1 57 57 ILE HG13 H 1 1.840 0.02 . 1 . . . . 35 ILE HG12 . 7271 1 380 . 1 1 57 57 ILE HG21 H 1 0.651 0.02 . 1 . . . . 35 ILE HG2 . 7271 1 381 . 1 1 57 57 ILE HG22 H 1 0.651 0.02 . 1 . . . . 35 ILE HG2 . 7271 1 382 . 1 1 57 57 ILE HG23 H 1 0.651 0.02 . 1 . . . . 35 ILE HG2 . 7271 1 383 . 1 1 57 57 ILE HD11 H 1 0.617 0.02 . 1 . . . . 35 ILE HD1 . 7271 1 384 . 1 1 57 57 ILE HD12 H 1 0.617 0.02 . 1 . . . . 35 ILE HD1 . 7271 1 385 . 1 1 57 57 ILE HD13 H 1 0.617 0.02 . 1 . . . . 35 ILE HD1 . 7271 1 386 . 1 1 57 57 ILE C C 13 177.238 0.3 . 1 . . . . 35 ILE C . 7271 1 387 . 1 1 57 57 ILE CA C 13 65.461 0.3 . 1 . . . . 35 ILE CA . 7271 1 388 . 1 1 57 57 ILE CB C 13 37.754 0.3 . 1 . . . . 35 ILE CB . 7271 1 389 . 1 1 57 57 ILE CG1 C 13 30.338 0.3 . 1 . . . . 35 ILE CG1 . 7271 1 390 . 1 1 57 57 ILE CG2 C 13 16.067 0.3 . 1 . . . . 35 ILE CG2 . 7271 1 391 . 1 1 57 57 ILE N N 15 119.175 0.25 . 1 . . . . 35 ILE N . 7271 1 392 . 1 1 58 58 ALA H H 1 8.341 0.02 . 1 . . . . 36 ALA HN . 7271 1 393 . 1 1 58 58 ALA HA H 1 3.819 0.02 . 1 . . . . 36 ALA HA . 7271 1 394 . 1 1 58 58 ALA HB1 H 1 1.477 0.02 . 1 . . . . 36 ALA HB . 7271 1 395 . 1 1 58 58 ALA HB2 H 1 1.477 0.02 . 1 . . . . 36 ALA HB . 7271 1 396 . 1 1 58 58 ALA HB3 H 1 1.477 0.02 . 1 . . . . 36 ALA HB . 7271 1 397 . 1 1 58 58 ALA C C 13 180.435 0.3 . 1 . . . . 36 ALA C . 7271 1 398 . 1 1 58 58 ALA CA C 13 55.224 0.3 . 1 . . . . 36 ALA CA . 7271 1 399 . 1 1 58 58 ALA CB C 13 18.136 0.3 . 1 . . . . 36 ALA CB . 7271 1 400 . 1 1 58 58 ALA N N 15 120.590 0.25 . 1 . . . . 36 ALA N . 7271 1 401 . 1 1 59 59 ASP H H 1 7.848 0.02 . 1 . . . . 37 ASP HN . 7271 1 402 . 1 1 59 59 ASP HA H 1 4.490 0.02 . 1 . . . . 37 ASP HA . 7271 1 403 . 1 1 59 59 ASP HB2 H 1 2.719 0.02 . 1 . . . . 37 ASP HB1 . 7271 1 404 . 1 1 59 59 ASP HB3 H 1 2.719 0.02 . 1 . . . . 37 ASP HB2 . 7271 1 405 . 1 1 59 59 ASP C C 13 176.474 0.3 . 1 . . . . 37 ASP C . 7271 1 406 . 1 1 59 59 ASP CA C 13 55.847 0.3 . 1 . . . . 37 ASP CA . 7271 1 407 . 1 1 59 59 ASP CB C 13 41.114 0.3 . 1 . . . . 37 ASP CB . 7271 1 408 . 1 1 59 59 ASP N N 15 115.968 0.25 . 1 . . . . 37 ASP N . 7271 1 409 . 1 1 60 60 ALA H H 1 7.556 0.02 . 1 . . . . 38 ALA HN . 7271 1 410 . 1 1 60 60 ALA HA H 1 4.419 0.02 . 1 . . . . 38 ALA HA . 7271 1 411 . 1 1 60 60 ALA HB1 H 1 1.456 0.02 . 1 . . . . 38 ALA HB . 7271 1 412 . 1 1 60 60 ALA HB2 H 1 1.456 0.02 . 1 . . . . 38 ALA HB . 7271 1 413 . 1 1 60 60 ALA HB3 H 1 1.456 0.02 . 1 . . . . 38 ALA HB . 7271 1 414 . 1 1 60 60 ALA C C 13 176.546 0.3 . 1 . . . . 38 ALA C . 7271 1 415 . 1 1 60 60 ALA CA C 13 51.863 0.3 . 1 . . . . 38 ALA CA . 7271 1 416 . 1 1 60 60 ALA CB C 13 20.244 0.3 . 1 . . . . 38 ALA CB . 7271 1 417 . 1 1 60 60 ALA N N 15 121.458 0.25 . 1 . . . . 38 ALA N . 7271 1 418 . 1 1 61 61 LEU H H 1 6.955 0.02 . 1 . . . . 39 LEU HN . 7271 1 419 . 1 1 61 61 LEU HA H 1 4.138 0.02 . 1 . . . . 39 LEU HA . 7271 1 420 . 1 1 61 61 LEU HB2 H 1 1.872 0.02 . 2 . . . . 39 LEU HB1 . 7271 1 421 . 1 1 61 61 LEU HB3 H 1 1.493 0.02 . 2 . . . . 39 LEU HB2 . 7271 1 422 . 1 1 61 61 LEU HG H 1 2.418 0.02 . 1 . . . . 39 LEU HG . 7271 1 423 . 1 1 61 61 LEU HD11 H 1 0.890 0.02 . 2 . . . . 39 LEU HD1 . 7271 1 424 . 1 1 61 61 LEU HD12 H 1 0.890 0.02 . 2 . . . . 39 LEU HD1 . 7271 1 425 . 1 1 61 61 LEU HD13 H 1 0.890 0.02 . 2 . . . . 39 LEU HD1 . 7271 1 426 . 1 1 61 61 LEU HD21 H 1 0.699 0.02 . 2 . . . . 39 LEU HD2 . 7271 1 427 . 1 1 61 61 LEU HD22 H 1 0.699 0.02 . 2 . . . . 39 LEU HD2 . 7271 1 428 . 1 1 61 61 LEU HD23 H 1 0.699 0.02 . 2 . . . . 39 LEU HD2 . 7271 1 429 . 1 1 61 61 LEU CA C 13 54.438 0.3 . 1 . . . . 39 LEU CA . 7271 1 430 . 1 1 61 61 LEU CB C 13 41.156 0.3 . 1 . . . . 39 LEU CB . 7271 1 431 . 1 1 61 61 LEU CG C 13 25.200 0.3 . 1 . . . . 39 LEU CG . 7271 1 432 . 1 1 61 61 LEU CD1 C 13 27.382 0.3 . 1 . . . . 39 LEU CD1 . 7271 1 433 . 1 1 61 61 LEU CD2 C 13 22.851 0.3 . 1 . . . . 39 LEU CD2 . 7271 1 434 . 1 1 61 61 LEU N N 15 115.882 0.25 . 1 . . . . 39 LEU N . 7271 1 435 . 1 1 62 62 PRO HA H 1 4.917 0.02 . 1 . . . . 40 PRO HA . 7271 1 436 . 1 1 62 62 PRO HB2 H 1 2.525 0.02 . 2 . . . . 40 PRO HB1 . 7271 1 437 . 1 1 62 62 PRO HB3 H 1 1.943 0.02 . 2 . . . . 40 PRO HB2 . 7271 1 438 . 1 1 62 62 PRO HG2 H 1 2.065 0.02 . 1 . . . . 40 PRO HG1 . 7271 1 439 . 1 1 62 62 PRO HG3 H 1 2.065 0.02 . 1 . . . . 40 PRO HG2 . 7271 1 440 . 1 1 62 62 PRO HD2 H 1 3.814 0.02 . 2 . . . . 40 PRO HD1 . 7271 1 441 . 1 1 62 62 PRO HD3 H 1 3.548 0.02 . 2 . . . . 40 PRO HD2 . 7271 1 442 . 1 1 62 62 PRO C C 13 175.878 0.3 . 1 . . . . 40 PRO C . 7271 1 443 . 1 1 62 62 PRO CA C 13 62.542 0.3 . 1 . . . . 40 PRO CA . 7271 1 444 . 1 1 62 62 PRO CB C 13 34.888 0.3 . 1 . . . . 40 PRO CB . 7271 1 445 . 1 1 62 62 PRO CG C 13 24.750 0.3 . 1 . . . . 40 PRO CG . 7271 1 446 . 1 1 62 62 PRO CD C 13 50.652 0.3 . 1 . . . . 40 PRO CD . 7271 1 447 . 1 1 63 63 ILE H H 1 8.339 0.02 . 1 . . . . 41 ILE HN . 7271 1 448 . 1 1 63 63 ILE HA H 1 4.396 0.02 . 1 . . . . 41 ILE HA . 7271 1 449 . 1 1 63 63 ILE HB H 1 1.521 0.02 . 1 . . . . 41 ILE HB . 7271 1 450 . 1 1 63 63 ILE HG12 H 1 1.320 0.02 . 1 . . . . 41 ILE HG11 . 7271 1 451 . 1 1 63 63 ILE HG13 H 1 1.320 0.02 . 1 . . . . 41 ILE HG12 . 7271 1 452 . 1 1 63 63 ILE HG21 H 1 1.046 0.02 . 1 . . . . 41 ILE HG2 . 7271 1 453 . 1 1 63 63 ILE HG22 H 1 1.046 0.02 . 1 . . . . 41 ILE HG2 . 7271 1 454 . 1 1 63 63 ILE HG23 H 1 1.046 0.02 . 1 . . . . 41 ILE HG2 . 7271 1 455 . 1 1 63 63 ILE HD11 H 1 0.925 0.02 . 1 . . . . 41 ILE HD1 . 7271 1 456 . 1 1 63 63 ILE HD12 H 1 0.925 0.02 . 1 . . . . 41 ILE HD1 . 7271 1 457 . 1 1 63 63 ILE HD13 H 1 0.925 0.02 . 1 . . . . 41 ILE HD1 . 7271 1 458 . 1 1 63 63 ILE C C 13 174.303 0.3 . 1 . . . . 41 ILE C . 7271 1 459 . 1 1 63 63 ILE CA C 13 60.473 0.3 . 1 . . . . 41 ILE CA . 7271 1 460 . 1 1 63 63 ILE CB C 13 42.034 0.3 . 1 . . . . 41 ILE CB . 7271 1 461 . 1 1 63 63 ILE CG1 C 13 27.725 0.3 . 1 . . . . 41 ILE CG1 . 7271 1 462 . 1 1 63 63 ILE CG2 C 13 16.658 0.3 . 1 . . . . 41 ILE CG2 . 7271 1 463 . 1 1 63 63 ILE CD1 C 13 14.405 0.3 . 1 . . . . 41 ILE CD1 . 7271 1 464 . 1 1 63 63 ILE N N 15 121.845 0.25 . 1 . . . . 41 ILE N . 7271 1 465 . 1 1 64 64 LYS H H 1 8.682 0.02 . 1 . . . . 42 LYS HN . 7271 1 466 . 1 1 64 64 LYS HA H 1 5.350 0.02 . 1 . . . . 42 LYS HA . 7271 1 467 . 1 1 64 64 LYS HB2 H 1 1.927 0.02 . 2 . . . . 42 LYS HB1 . 7271 1 468 . 1 1 64 64 LYS HB3 H 1 1.781 0.02 . 2 . . . . 42 LYS HB2 . 7271 1 469 . 1 1 64 64 LYS HG2 H 1 1.454 0.02 . 1 . . . . 42 LYS HG1 . 7271 1 470 . 1 1 64 64 LYS HG3 H 1 1.454 0.02 . 1 . . . . 42 LYS HG2 . 7271 1 471 . 1 1 64 64 LYS HD2 H 1 1.731 0.02 . 1 . . . . 42 LYS HD1 . 7271 1 472 . 1 1 64 64 LYS HD3 H 1 1.731 0.02 . 1 . . . . 42 LYS HD2 . 7271 1 473 . 1 1 64 64 LYS HE2 H 1 2.964 0.02 . 1 . . . . 42 LYS HE1 . 7271 1 474 . 1 1 64 64 LYS HE3 H 1 2.964 0.02 . 1 . . . . 42 LYS HE2 . 7271 1 475 . 1 1 64 64 LYS C C 13 176.354 0.3 . 1 . . . . 42 LYS C . 7271 1 476 . 1 1 64 64 LYS CA C 13 54.889 0.3 . 1 . . . . 42 LYS CA . 7271 1 477 . 1 1 64 64 LYS CB C 13 33.960 0.3 . 1 . . . . 42 LYS CB . 7271 1 478 . 1 1 64 64 LYS CG C 13 25.358 0.3 . 1 . . . . 42 LYS CG . 7271 1 479 . 1 1 64 64 LYS CD C 13 29.363 0.3 . 1 . . . . 42 LYS CD . 7271 1 480 . 1 1 64 64 LYS CE C 13 42.192 0.3 . 1 . . . . 42 LYS CE . 7271 1 481 . 1 1 64 64 LYS N N 15 127.436 0.25 . 1 . . . . 42 LYS N . 7271 1 482 . 1 1 65 65 SER H H 1 8.826 0.02 . 1 . . . . 43 SER HN . 7271 1 483 . 1 1 65 65 SER HA H 1 4.874 0.02 . 1 . . . . 43 SER HA . 7271 1 484 . 1 1 65 65 SER HB2 H 1 3.991 0.02 . 2 . . . . 43 SER HB1 . 7271 1 485 . 1 1 65 65 SER HB3 H 1 3.301 0.02 . 2 . . . . 43 SER HB2 . 7271 1 486 . 1 1 65 65 SER C C 13 174.971 0.3 . 1 . . . . 43 SER C . 7271 1 487 . 1 1 65 65 SER CA C 13 56.058 0.3 . 1 . . . . 43 SER CA . 7271 1 488 . 1 1 65 65 SER CB C 13 63.246 0.3 . 1 . . . . 43 SER CB . 7271 1 489 . 1 1 65 65 SER N N 15 118.297 0.25 . 1 . . . . 43 SER N . 7271 1 490 . 1 1 66 66 THR H H 1 8.792 0.02 . 1 . . . . 44 THR HN . 7271 1 491 . 1 1 66 66 THR HA H 1 4.971 0.02 . 1 . . . . 44 THR HA . 7271 1 492 . 1 1 66 66 THR HB H 1 3.842 0.02 . 1 . . . . 44 THR HB . 7271 1 493 . 1 1 66 66 THR HG21 H 1 1.164 0.02 . 1 . . . . 44 THR HG2 . 7271 1 494 . 1 1 66 66 THR HG22 H 1 1.164 0.02 . 1 . . . . 44 THR HG2 . 7271 1 495 . 1 1 66 66 THR HG23 H 1 1.164 0.02 . 1 . . . . 44 THR HG2 . 7271 1 496 . 1 1 66 66 THR C C 13 172.920 0.3 . 1 . . . . 44 THR C . 7271 1 497 . 1 1 66 66 THR CA C 13 61.157 0.3 . 1 . . . . 44 THR CA . 7271 1 498 . 1 1 66 66 THR CB C 13 71.832 0.3 . 1 . . . . 44 THR CB . 7271 1 499 . 1 1 66 66 THR CG2 C 13 21.891 0.3 . 1 . . . . 44 THR CG2 . 7271 1 500 . 1 1 66 66 THR N N 15 116.659 0.25 . 1 . . . . 44 THR N . 7271 1 501 . 1 1 67 67 ALA H H 1 9.847 0.02 . 1 . . . . 45 ALA HN . 7271 1 502 . 1 1 67 67 ALA HA H 1 4.248 0.02 . 1 . . . . 45 ALA HA . 7271 1 503 . 1 1 67 67 ALA HB1 H 1 1.399 0.02 . 1 . . . . 45 ALA HB . 7271 1 504 . 1 1 67 67 ALA HB2 H 1 1.399 0.02 . 1 . . . . 45 ALA HB . 7271 1 505 . 1 1 67 67 ALA HB3 H 1 1.399 0.02 . 1 . . . . 45 ALA HB . 7271 1 506 . 1 1 67 67 ALA C C 13 175.878 0.3 . 1 . . . . 45 ALA C . 7271 1 507 . 1 1 67 67 ALA CA C 13 53.008 0.3 . 1 . . . . 45 ALA CA . 7271 1 508 . 1 1 67 67 ALA CB C 13 20.244 0.3 . 1 . . . . 45 ALA CB . 7271 1 509 . 1 1 67 67 ALA N N 15 126.647 0.25 . 1 . . . . 45 ALA N . 7271 1 510 . 1 1 68 68 ASN H H 1 8.602 0.02 . 1 . . . . 46 ASN HN . 7271 1 511 . 1 1 68 68 ASN HA H 1 5.241 0.02 . 1 . . . . 46 ASN HA . 7271 1 512 . 1 1 68 68 ASN HB2 H 1 1.964 0.02 . 2 . . . . 46 ASN HB1 . 7271 1 513 . 1 1 68 68 ASN HB3 H 1 1.131 0.02 . 2 . . . . 46 ASN HB2 . 7271 1 514 . 1 1 68 68 ASN HD21 H 1 6.449 0.02 . 2 . . . . 46 ASN HD21 . 7271 1 515 . 1 1 68 68 ASN HD22 H 1 6.913 0.02 . 2 . . . . 46 ASN HD22 . 7271 1 516 . 1 1 68 68 ASN C C 13 173.588 0.3 . 1 . . . . 46 ASN C . 7271 1 517 . 1 1 68 68 ASN CA C 13 51.945 0.3 . 1 . . . . 46 ASN CA . 7271 1 518 . 1 1 68 68 ASN CB C 13 40.906 0.3 . 1 . . . . 46 ASN CB . 7271 1 519 . 1 1 68 68 ASN N N 15 119.583 0.25 . 1 . . . . 46 ASN N . 7271 1 520 . 1 1 68 68 ASN ND2 N 15 114.155 0.25 . 1 . . . . 46 ASN ND2 . 7271 1 521 . 1 1 69 69 ARG H H 1 9.309 0.02 . 1 . . . . 47 ARG HN . 7271 1 522 . 1 1 69 69 ARG HA H 1 5.228 0.02 . 1 . . . . 47 ARG HA . 7271 1 523 . 1 1 69 69 ARG HB2 H 1 2.077 0.02 . 1 . . . . 47 ARG HB1 . 7271 1 524 . 1 1 69 69 ARG HB3 H 1 2.077 0.02 . 1 . . . . 47 ARG HB2 . 7271 1 525 . 1 1 69 69 ARG HG2 H 1 1.798 0.02 . 1 . . . . 47 ARG HG1 . 7271 1 526 . 1 1 69 69 ARG HG3 H 1 1.798 0.02 . 1 . . . . 47 ARG HG2 . 7271 1 527 . 1 1 69 69 ARG HD2 H 1 3.361 0.02 . 1 . . . . 47 ARG HD1 . 7271 1 528 . 1 1 69 69 ARG HD3 H 1 3.361 0.02 . 1 . . . . 47 ARG HD2 . 7271 1 529 . 1 1 69 69 ARG C C 13 176.069 0.3 . 1 . . . . 47 ARG C . 7271 1 530 . 1 1 69 69 ARG CA C 13 52.798 0.3 . 1 . . . . 47 ARG CA . 7271 1 531 . 1 1 69 69 ARG CB C 13 31.913 0.3 . 1 . . . . 47 ARG CB . 7271 1 532 . 1 1 69 69 ARG CG C 13 27.108 0.3 . 1 . . . . 47 ARG CG . 7271 1 533 . 1 1 69 69 ARG CD C 13 42.828 0.3 . 1 . . . . 47 ARG CD . 7271 1 534 . 1 1 69 69 ARG N N 15 122.489 0.25 . 1 . . . . 47 ARG N . 7271 1 535 . 1 1 70 70 TRP H H 1 8.891 0.02 . 1 . . . . 48 TRP HN . 7271 1 536 . 1 1 70 70 TRP HA H 1 5.050 0.02 . 1 . . . . 48 TRP HA . 7271 1 537 . 1 1 70 70 TRP HB2 H 1 3.658 0.02 . 2 . . . . 48 TRP HB1 . 7271 1 538 . 1 1 70 70 TRP HB3 H 1 2.857 0.02 . 2 . . . . 48 TRP HB2 . 7271 1 539 . 1 1 70 70 TRP HD1 H 1 6.305 0.02 . 1 . . . . 48 TRP HD1 . 7271 1 540 . 1 1 70 70 TRP HE1 H 1 9.833 0.02 . 1 . . . . 48 TRP HE1 . 7271 1 541 . 1 1 70 70 TRP C C 13 175.234 0.3 . 1 . . . . 48 TRP C . 7271 1 542 . 1 1 70 70 TRP CA C 13 57.236 0.3 . 1 . . . . 48 TRP CA . 7271 1 543 . 1 1 70 70 TRP CB C 13 28.877 0.3 . 1 . . . . 48 TRP CB . 7271 1 544 . 1 1 70 70 TRP N N 15 129.249 0.25 . 1 . . . . 48 TRP N . 7271 1 545 . 1 1 70 70 TRP NE1 N 15 127.470 0.25 . 1 . . . . 48 TRP NE1 . 7271 1 546 . 1 1 71 71 GLY H H 1 8.932 0.02 . 1 . . . . 49 GLY HN . 7271 1 547 . 1 1 71 71 GLY HA2 H 1 3.674 0.02 . 2 . . . . 49 GLY HA1 . 7271 1 548 . 1 1 71 71 GLY HA3 H 1 3.475 0.02 . 2 . . . . 49 GLY HA2 . 7271 1 549 . 1 1 71 71 GLY C C 13 174.924 0.3 . 1 . . . . 49 GLY C . 7271 1 550 . 1 1 71 71 GLY CA C 13 47.768 0.3 . 1 . . . . 49 GLY CA . 7271 1 551 . 1 1 71 71 GLY N N 15 114.369 0.25 . 1 . . . . 49 GLY N . 7271 1 552 . 1 1 72 72 ASP H H 1 8.069 0.02 . 1 . . . . 50 ASP HN . 7271 1 553 . 1 1 72 72 ASP HA H 1 4.407 0.02 . 1 . . . . 50 ASP HA . 7271 1 554 . 1 1 72 72 ASP HB2 H 1 1.933 0.02 . 2 . . . . 50 ASP HB1 . 7271 1 555 . 1 1 72 72 ASP HB3 H 1 1.912 0.02 . 2 . . . . 50 ASP HB2 . 7271 1 556 . 1 1 72 72 ASP C C 13 169.770 0.3 . 1 . . . . 50 ASP C . 7271 1 557 . 1 1 72 72 ASP CA C 13 53.726 0.3 . 1 . . . . 50 ASP CA . 7271 1 558 . 1 1 72 72 ASP CB C 13 37.697 0.3 . 1 . . . . 50 ASP CB . 7271 1 559 . 1 1 72 72 ASP N N 15 131.284 0.25 . 1 . . . . 50 ASP N . 7271 1 560 . 1 1 73 73 GLU H H 1 7.136 0.02 . 1 . . . . 51 GLU HN . 7271 1 561 . 1 1 73 73 GLU HA H 1 4.979 0.02 . 1 . . . . 51 GLU HA . 7271 1 562 . 1 1 73 73 GLU HB2 H 1 1.674 0.02 . 1 . . . . 51 GLU HB1 . 7271 1 563 . 1 1 73 73 GLU HB3 H 1 1.674 0.02 . 1 . . . . 51 GLU HB2 . 7271 1 564 . 1 1 73 73 GLU HG2 H 1 1.782 0.02 . 1 . . . . 51 GLU HG1 . 7271 1 565 . 1 1 73 73 GLU HG3 H 1 1.782 0.02 . 1 . . . . 51 GLU HG2 . 7271 1 566 . 1 1 73 73 GLU C C 13 177.667 0.3 . 1 . . . . 51 GLU C . 7271 1 567 . 1 1 73 73 GLU CA C 13 53.794 0.3 . 1 . . . . 51 GLU CA . 7271 1 568 . 1 1 73 73 GLU CB C 13 32.012 0.3 . 1 . . . . 51 GLU CB . 7271 1 569 . 1 1 73 73 GLU CG C 13 33.978 0.3 . 1 . . . . 51 GLU CG . 7271 1 570 . 1 1 73 73 GLU N N 15 115.499 0.25 . 1 . . . . 51 GLU N . 7271 1 571 . 1 1 74 74 ILE H H 1 8.402 0.02 . 1 . . . . 52 ILE HN . 7271 1 572 . 1 1 74 74 ILE HA H 1 5.327 0.02 . 1 . . . . 52 ILE HA . 7271 1 573 . 1 1 74 74 ILE HB H 1 1.585 0.02 . 1 . . . . 52 ILE HB . 7271 1 574 . 1 1 74 74 ILE HG12 H 1 1.855 0.02 . 1 . . . . 52 ILE HG11 . 7271 1 575 . 1 1 74 74 ILE HG13 H 1 0.766 0.02 . 1 . . . . 52 ILE HG12 . 7271 1 576 . 1 1 74 74 ILE HG21 H 1 1.141 0.02 . 1 . . . . 52 ILE HG2 . 7271 1 577 . 1 1 74 74 ILE HG22 H 1 1.141 0.02 . 1 . . . . 52 ILE HG2 . 7271 1 578 . 1 1 74 74 ILE HG23 H 1 1.141 0.02 . 1 . . . . 52 ILE HG2 . 7271 1 579 . 1 1 74 74 ILE HD11 H 1 0.509 0.02 . 1 . . . . 52 ILE HD1 . 7271 1 580 . 1 1 74 74 ILE HD12 H 1 0.509 0.02 . 1 . . . . 52 ILE HD1 . 7271 1 581 . 1 1 74 74 ILE HD13 H 1 0.509 0.02 . 1 . . . . 52 ILE HD1 . 7271 1 582 . 1 1 74 74 ILE C C 13 174.256 0.3 . 1 . . . . 52 ILE C . 7271 1 583 . 1 1 74 74 ILE CA C 13 59.209 0.3 . 1 . . . . 52 ILE CA . 7271 1 584 . 1 1 74 74 ILE CB C 13 43.262 0.3 . 1 . . . . 52 ILE CB . 7271 1 585 . 1 1 74 74 ILE CG1 C 13 30.041 0.3 . 1 . . . . 52 ILE CG1 . 7271 1 586 . 1 1 74 74 ILE CG2 C 13 18.974 0.3 . 1 . . . . 52 ILE CG2 . 7271 1 587 . 1 1 74 74 ILE CD1 C 13 15.801 0.3 . 1 . . . . 52 ILE CD1 . 7271 1 588 . 1 1 74 74 ILE N N 15 125.435 0.25 . 1 . . . . 52 ILE N . 7271 1 589 . 1 1 75 75 TYR H H 1 9.218 0.02 . 1 . . . . 53 TYR HN . 7271 1 590 . 1 1 75 75 TYR HA H 1 6.245 0.02 . 1 . . . . 53 TYR HA . 7271 1 591 . 1 1 75 75 TYR HB2 H 1 3.071 0.02 . 2 . . . . 53 TYR HB1 . 7271 1 592 . 1 1 75 75 TYR HB3 H 1 2.763 0.02 . 2 . . . . 53 TYR HB2 . 7271 1 593 . 1 1 75 75 TYR HD1 H 1 6.469 0.02 . 3 . . . . 53 TYR HD1 . 7271 1 594 . 1 1 75 75 TYR C C 13 174.876 0.3 . 1 . . . . 53 TYR C . 7271 1 595 . 1 1 75 75 TYR CA C 13 54.931 0.3 . 1 . . . . 53 TYR CA . 7271 1 596 . 1 1 75 75 TYR CB C 13 42.519 0.3 . 1 . . . . 53 TYR CB . 7271 1 597 . 1 1 75 75 TYR N N 15 124.392 0.25 . 1 . . . . 53 TYR N . 7271 1 598 . 1 1 76 76 PHE H H 1 8.464 0.02 . 1 . . . . 54 PHE HN . 7271 1 599 . 1 1 76 76 PHE HA H 1 5.124 0.02 . 1 . . . . 54 PHE HA . 7271 1 600 . 1 1 76 76 PHE HB2 H 1 3.220 0.02 . 2 . . . . 54 PHE HB1 . 7271 1 601 . 1 1 76 76 PHE HB3 H 1 3.154 0.02 . 2 . . . . 54 PHE HB2 . 7271 1 602 . 1 1 76 76 PHE HD1 H 1 6.900 0.02 . 3 . . . . 54 PHE HD1 . 7271 1 603 . 1 1 76 76 PHE C C 13 173.874 0.3 . 1 . . . . 54 PHE C . 7271 1 604 . 1 1 76 76 PHE CA C 13 54.661 0.3 . 1 . . . . 54 PHE CA . 7271 1 605 . 1 1 76 76 PHE CB C 13 40.312 0.3 . 1 . . . . 54 PHE CB . 7271 1 606 . 1 1 76 76 PHE N N 15 115.744 0.25 . 1 . . . . 54 PHE N . 7271 1 607 . 1 1 77 77 THR H H 1 9.523 0.02 . 1 . . . . 55 THR HN . 7271 1 608 . 1 1 77 77 THR HA H 1 4.274 0.02 . 1 . . . . 55 THR HA . 7271 1 609 . 1 1 77 77 THR HB H 1 4.370 0.02 . 1 . . . . 55 THR HB . 7271 1 610 . 1 1 77 77 THR HG21 H 1 1.499 0.02 . 1 . . . . 55 THR HG2 . 7271 1 611 . 1 1 77 77 THR HG22 H 1 1.499 0.02 . 1 . . . . 55 THR HG2 . 7271 1 612 . 1 1 77 77 THR HG23 H 1 1.499 0.02 . 1 . . . . 55 THR HG2 . 7271 1 613 . 1 1 77 77 THR C C 13 174.590 0.3 . 1 . . . . 55 THR C . 7271 1 614 . 1 1 77 77 THR CA C 13 63.797 0.3 . 1 . . . . 55 THR CA . 7271 1 615 . 1 1 77 77 THR CB C 13 69.826 0.3 . 1 . . . . 55 THR CB . 7271 1 616 . 1 1 77 77 THR CG2 C 13 22.116 0.3 . 1 . . . . 55 THR CG2 . 7271 1 617 . 1 1 77 77 THR N N 15 117.383 0.25 . 1 . . . . 55 THR N . 7271 1 618 . 1 1 78 78 THR H H 1 8.228 0.02 . 1 . . . . 56 THR HN . 7271 1 619 . 1 1 78 78 THR HA H 1 5.267 0.02 . 1 . . . . 56 THR HA . 7271 1 620 . 1 1 78 78 THR HB H 1 4.596 0.02 . 1 . . . . 56 THR HB . 7271 1 621 . 1 1 78 78 THR HG21 H 1 1.547 0.02 . 1 . . . . 56 THR HG2 . 7271 1 622 . 1 1 78 78 THR HG22 H 1 1.547 0.02 . 1 . . . . 56 THR HG2 . 7271 1 623 . 1 1 78 78 THR HG23 H 1 1.547 0.02 . 1 . . . . 56 THR HG2 . 7271 1 624 . 1 1 78 78 THR C C 13 173.254 0.3 . 1 . . . . 56 THR C . 7271 1 625 . 1 1 78 78 THR CA C 13 60.639 0.3 . 1 . . . . 56 THR CA . 7271 1 626 . 1 1 78 78 THR CB C 13 72.872 0.3 . 1 . . . . 56 THR CB . 7271 1 627 . 1 1 78 78 THR CG2 C 13 22.067 0.3 . 1 . . . . 56 THR CG2 . 7271 1 628 . 1 1 78 78 THR N N 15 115.471 0.25 . 1 . . . . 56 THR N . 7271 1 629 . 1 1 79 79 GLN H H 1 9.429 0.02 . 1 . . . . 57 GLN HN . 7271 1 630 . 1 1 79 79 GLN HA H 1 4.600 0.02 . 1 . . . . 57 GLN HA . 7271 1 631 . 1 1 79 79 GLN HB2 H 1 2.050 0.02 . 1 . . . . 57 GLN HB1 . 7271 1 632 . 1 1 79 79 GLN HB3 H 1 2.050 0.02 . 1 . . . . 57 GLN HB2 . 7271 1 633 . 1 1 79 79 GLN HG2 H 1 2.542 0.02 . 2 . . . . 57 GLN HG1 . 7271 1 634 . 1 1 79 79 GLN HG3 H 1 2.462 0.02 . 2 . . . . 57 GLN HG2 . 7271 1 635 . 1 1 79 79 GLN C C 13 176.665 0.3 . 1 . . . . 57 GLN C . 7271 1 636 . 1 1 79 79 GLN CA C 13 54.956 0.3 . 1 . . . . 57 GLN CA . 7271 1 637 . 1 1 79 79 GLN CB C 13 28.310 0.3 . 1 . . . . 57 GLN CB . 7271 1 638 . 1 1 79 79 GLN CG C 13 34.244 0.3 . 1 . . . . 57 GLN CG . 7271 1 639 . 1 1 79 79 GLN N N 15 116.241 0.25 . 1 . . . . 57 GLN N . 7271 1 640 . 1 1 80 80 VAL H H 1 8.402 0.02 . 1 . . . . 58 VAL HN . 7271 1 641 . 1 1 80 80 VAL HA H 1 3.713 0.02 . 1 . . . . 58 VAL HA . 7271 1 642 . 1 1 80 80 VAL HB H 1 2.284 0.02 . 1 . . . . 58 VAL HB . 7271 1 643 . 1 1 80 80 VAL HG11 H 1 0.866 0.02 . 2 . . . . 58 VAL HG1 . 7271 1 644 . 1 1 80 80 VAL HG12 H 1 0.866 0.02 . 2 . . . . 58 VAL HG1 . 7271 1 645 . 1 1 80 80 VAL HG13 H 1 0.866 0.02 . 2 . . . . 58 VAL HG1 . 7271 1 646 . 1 1 80 80 VAL HG21 H 1 0.644 0.02 . 2 . . . . 58 VAL HG2 . 7271 1 647 . 1 1 80 80 VAL HG22 H 1 0.644 0.02 . 2 . . . . 58 VAL HG2 . 7271 1 648 . 1 1 80 80 VAL HG23 H 1 0.644 0.02 . 2 . . . . 58 VAL HG2 . 7271 1 649 . 1 1 80 80 VAL C C 13 175.115 0.3 . 1 . . . . 58 VAL C . 7271 1 650 . 1 1 80 80 VAL CA C 13 63.465 0.3 . 1 . . . . 58 VAL CA . 7271 1 651 . 1 1 80 80 VAL CB C 13 31.235 0.3 . 1 . . . . 58 VAL CB . 7271 1 652 . 1 1 80 80 VAL CG1 C 13 22.082 0.3 . 1 . . . . 58 VAL CG1 . 7271 1 653 . 1 1 80 80 VAL CG2 C 13 21.661 0.3 . 1 . . . . 58 VAL CG2 . 7271 1 654 . 1 1 80 80 VAL N N 15 123.275 0.25 . 1 . . . . 58 VAL N . 7271 1 655 . 1 1 81 81 ALA H H 1 8.886 0.02 . 1 . . . . 59 ALA HN . 7271 1 656 . 1 1 81 81 ALA HA H 1 4.596 0.02 . 1 . . . . 59 ALA HA . 7271 1 657 . 1 1 81 81 ALA HB1 H 1 1.319 0.02 . 1 . . . . 59 ALA HB . 7271 1 658 . 1 1 81 81 ALA HB2 H 1 1.319 0.02 . 1 . . . . 59 ALA HB . 7271 1 659 . 1 1 81 81 ALA HB3 H 1 1.319 0.02 . 1 . . . . 59 ALA HB . 7271 1 660 . 1 1 81 81 ALA C C 13 175.401 0.3 . 1 . . . . 59 ALA C . 7271 1 661 . 1 1 81 81 ALA CA C 13 51.202 0.3 . 1 . . . . 59 ALA CA . 7271 1 662 . 1 1 81 81 ALA CB C 13 19.499 0.3 . 1 . . . . 59 ALA CB . 7271 1 663 . 1 1 81 81 ALA N N 15 133.245 0.25 . 1 . . . . 59 ALA N . 7271 1 664 . 1 1 82 82 VAL H H 1 7.459 0.02 . 1 . . . . 60 VAL HN . 7271 1 665 . 1 1 82 82 VAL HA H 1 4.043 0.02 . 1 . . . . 60 VAL HA . 7271 1 666 . 1 1 82 82 VAL HB H 1 1.700 0.02 . 1 . . . . 60 VAL HB . 7271 1 667 . 1 1 82 82 VAL HG11 H 1 0.888 0.02 . 2 . . . . 60 VAL HG1 . 7271 1 668 . 1 1 82 82 VAL HG12 H 1 0.888 0.02 . 2 . . . . 60 VAL HG1 . 7271 1 669 . 1 1 82 82 VAL HG13 H 1 0.888 0.02 . 2 . . . . 60 VAL HG1 . 7271 1 670 . 1 1 82 82 VAL HG21 H 1 0.666 0.02 . 2 . . . . 60 VAL HG2 . 7271 1 671 . 1 1 82 82 VAL HG22 H 1 0.666 0.02 . 2 . . . . 60 VAL HG2 . 7271 1 672 . 1 1 82 82 VAL HG23 H 1 0.666 0.02 . 2 . . . . 60 VAL HG2 . 7271 1 673 . 1 1 82 82 VAL C C 13 175.520 0.3 . 1 . . . . 60 VAL C . 7271 1 674 . 1 1 82 82 VAL CA C 13 62.100 0.3 . 1 . . . . 60 VAL CA . 7271 1 675 . 1 1 82 82 VAL CB C 13 34.244 0.3 . 1 . . . . 60 VAL CB . 7271 1 676 . 1 1 82 82 VAL CG1 C 13 20.935 0.3 . 1 . . . . 60 VAL CG1 . 7271 1 677 . 1 1 82 82 VAL CG2 C 13 22.074 0.3 . 1 . . . . 60 VAL CG2 . 7271 1 678 . 1 1 82 82 VAL N N 15 123.330 0.25 . 1 . . . . 60 VAL N . 7271 1 679 . 1 1 83 83 GLU H H 1 8.889 0.02 . 1 . . . . 61 GLU HN . 7271 1 680 . 1 1 83 83 GLU HA H 1 4.614 0.02 . 1 . . . . 61 GLU HA . 7271 1 681 . 1 1 83 83 GLU HB2 H 1 1.814 0.02 . 1 . . . . 61 GLU HB1 . 7271 1 682 . 1 1 83 83 GLU HB3 H 1 1.814 0.02 . 1 . . . . 61 GLU HB2 . 7271 1 683 . 1 1 83 83 GLU HG2 H 1 2.158 0.02 . 2 . . . . 61 GLU HG1 . 7271 1 684 . 1 1 83 83 GLU HG3 H 1 2.119 0.02 . 2 . . . . 61 GLU HG2 . 7271 1 685 . 1 1 83 83 GLU C C 13 174.852 0.3 . 1 . . . . 61 GLU C . 7271 1 686 . 1 1 83 83 GLU CA C 13 55.139 0.3 . 1 . . . . 61 GLU CA . 7271 1 687 . 1 1 83 83 GLU CB C 13 31.176 0.3 . 1 . . . . 61 GLU CB . 7271 1 688 . 1 1 83 83 GLU CG C 13 36.141 0.3 . 1 . . . . 61 GLU CG . 7271 1 689 . 1 1 83 83 GLU N N 15 123.535 0.25 . 1 . . . . 61 GLU N . 7271 1 690 . 1 1 84 84 LYS H H 1 6.924 0.02 . 1 . . . . 62 LYS HN . 7271 1 691 . 1 1 84 84 LYS HA H 1 4.273 0.02 . 1 . . . . 62 LYS HA . 7271 1 692 . 1 1 84 84 LYS HB2 H 1 1.647 0.02 . 2 . . . . 62 LYS HB1 . 7271 1 693 . 1 1 84 84 LYS HB3 H 1 1.564 0.02 . 2 . . . . 62 LYS HB2 . 7271 1 694 . 1 1 84 84 LYS HG2 H 1 1.371 0.02 . 1 . . . . 62 LYS HG1 . 7271 1 695 . 1 1 84 84 LYS HG3 H 1 1.371 0.02 . 1 . . . . 62 LYS HG2 . 7271 1 696 . 1 1 84 84 LYS HD2 H 1 1.678 0.02 . 1 . . . . 62 LYS HD1 . 7271 1 697 . 1 1 84 84 LYS HD3 H 1 1.678 0.02 . 1 . . . . 62 LYS HD2 . 7271 1 698 . 1 1 84 84 LYS HE2 H 1 3.070 0.02 . 1 . . . . 62 LYS HE1 . 7271 1 699 . 1 1 84 84 LYS HE3 H 1 3.070 0.02 . 1 . . . . 62 LYS HE2 . 7271 1 700 . 1 1 84 84 LYS C C 13 175.108 0.3 . 1 . . . . 62 LYS C . 7271 1 701 . 1 1 84 84 LYS CA C 13 55.371 0.3 . 1 . . . . 62 LYS CA . 7271 1 702 . 1 1 84 84 LYS CB C 13 34.678 0.3 . 1 . . . . 62 LYS CB . 7271 1 703 . 1 1 84 84 LYS CG C 13 24.874 0.3 . 1 . . . . 62 LYS CG . 7271 1 704 . 1 1 84 84 LYS CD C 13 29.304 0.3 . 1 . . . . 62 LYS CD . 7271 1 705 . 1 1 84 84 LYS CE C 13 43.975 0.3 . 1 . . . . 62 LYS CE . 7271 1 706 . 1 1 84 84 LYS N N 15 122.093 0.25 . 1 . . . . 62 LYS N . 7271 1 707 . 1 1 85 85 GLU H H 1 8.603 0.02 . 1 . . . . 63 GLU HN . 7271 1 708 . 1 1 85 85 GLU HA H 1 4.526 0.02 . 1 . . . . 63 GLU HA . 7271 1 709 . 1 1 85 85 GLU HB2 H 1 2.048 0.02 . 2 . . . . 63 GLU HB1 . 7271 1 710 . 1 1 85 85 GLU HB3 H 1 1.895 0.02 . 2 . . . . 63 GLU HB2 . 7271 1 711 . 1 1 85 85 GLU HG2 H 1 2.376 0.02 . 1 . . . . 63 GLU HG1 . 7271 1 712 . 1 1 85 85 GLU HG3 H 1 2.376 0.02 . 1 . . . . 63 GLU HG2 . 7271 1 713 . 1 1 85 85 GLU C C 13 176.260 0.3 . 1 . . . . 63 GLU C . 7271 1 714 . 1 1 85 85 GLU CA C 13 56.624 0.3 . 1 . . . . 63 GLU CA . 7271 1 715 . 1 1 85 85 GLU CB C 13 29.544 0.3 . 1 . . . . 63 GLU CB . 7271 1 716 . 1 1 85 85 GLU CG C 13 36.608 0.3 . 1 . . . . 63 GLU CG . 7271 1 717 . 1 1 85 85 GLU N N 15 125.690 0.25 . 1 . . . . 63 GLU N . 7271 1 718 . 1 1 86 86 GLU H H 1 7.736 0.02 . 1 . . . . 64 GLU HN . 7271 1 719 . 1 1 86 86 GLU HA H 1 4.517 0.02 . 1 . . . . 64 GLU HA . 7271 1 720 . 1 1 86 86 GLU HB2 H 1 2.123 0.02 . 2 . . . . 64 GLU HB1 . 7271 1 721 . 1 1 86 86 GLU HB3 H 1 2.067 0.02 . 2 . . . . 64 GLU HB2 . 7271 1 722 . 1 1 86 86 GLU HG2 H 1 2.066 0.02 . 2 . . . . 64 GLU HG1 . 7271 1 723 . 1 1 86 86 GLU HG3 H 1 2.032 0.02 . 2 . . . . 64 GLU HG2 . 7271 1 724 . 1 1 86 86 GLU C C 13 173.492 0.3 . 1 . . . . 64 GLU C . 7271 1 725 . 1 1 86 86 GLU CA C 13 56.285 0.3 . 1 . . . . 64 GLU CA . 7271 1 726 . 1 1 86 86 GLU CB C 13 34.671 0.3 . 1 . . . . 64 GLU CB . 7271 1 727 . 1 1 86 86 GLU CG C 13 37.486 0.3 . 1 . . . . 64 GLU CG . 7271 1 728 . 1 1 86 86 GLU N N 15 122.790 0.25 . 1 . . . . 64 GLU N . 7271 1 729 . 1 1 87 87 ASN H H 1 8.873 0.02 . 1 . . . . 65 ASN HN . 7271 1 730 . 1 1 87 87 ASN HA H 1 4.324 0.02 . 1 . . . . 65 ASN HA . 7271 1 731 . 1 1 87 87 ASN HB2 H 1 3.853 0.02 . 2 . . . . 65 ASN HB1 . 7271 1 732 . 1 1 87 87 ASN HB3 H 1 2.779 0.02 . 2 . . . . 65 ASN HB2 . 7271 1 733 . 1 1 87 87 ASN HD21 H 1 6.438 0.02 . 2 . . . . 65 ASN HD21 . 7271 1 734 . 1 1 87 87 ASN HD22 H 1 8.208 0.02 . 2 . . . . 65 ASN HD22 . 7271 1 735 . 1 1 87 87 ASN C C 13 175.329 0.3 . 1 . . . . 65 ASN C . 7271 1 736 . 1 1 87 87 ASN CA C 13 53.008 0.3 . 1 . . . . 65 ASN CA . 7271 1 737 . 1 1 87 87 ASN CB C 13 37.486 0.3 . 1 . . . . 65 ASN CB . 7271 1 738 . 1 1 87 87 ASN N N 15 122.498 0.25 . 1 . . . . 65 ASN N . 7271 1 739 . 1 1 87 87 ASN ND2 N 15 111.089 0.25 . 1 . . . . 65 ASN ND2 . 7271 1 740 . 1 1 88 88 SER H H 1 7.971 0.02 . 1 . . . . 66 SER HN . 7271 1 741 . 1 1 88 88 SER HA H 1 5.317 0.02 . 1 . . . . 66 SER HA . 7271 1 742 . 1 1 88 88 SER HB2 H 1 3.775 0.02 . 2 . . . . 66 SER HB1 . 7271 1 743 . 1 1 88 88 SER HB3 H 1 3.544 0.02 . 2 . . . . 66 SER HB2 . 7271 1 744 . 1 1 88 88 SER C C 13 177.023 0.3 . 1 . . . . 66 SER C . 7271 1 745 . 1 1 88 88 SER CA C 13 57.312 0.3 . 1 . . . . 66 SER CA . 7271 1 746 . 1 1 88 88 SER CB C 13 63.212 0.3 . 1 . . . . 66 SER CB . 7271 1 747 . 1 1 88 88 SER N N 15 110.116 0.25 . 1 . . . . 66 SER N . 7271 1 748 . 1 1 89 89 LYS H H 1 9.413 0.02 . 1 . . . . 67 LYS HN . 7271 1 749 . 1 1 89 89 LYS HA H 1 4.870 0.02 . 1 . . . . 67 LYS HA . 7271 1 750 . 1 1 89 89 LYS HB2 H 1 2.230 0.02 . 2 . . . . 67 LYS HB1 . 7271 1 751 . 1 1 89 89 LYS HB3 H 1 1.607 0.02 . 2 . . . . 67 LYS HB2 . 7271 1 752 . 1 1 89 89 LYS HG2 H 1 1.513 0.02 . 2 . . . . 67 LYS HG1 . 7271 1 753 . 1 1 89 89 LYS HG3 H 1 1.445 0.02 . 2 . . . . 67 LYS HG2 . 7271 1 754 . 1 1 89 89 LYS HD2 H 1 1.774 0.02 . 2 . . . . 67 LYS HD1 . 7271 1 755 . 1 1 89 89 LYS HD3 H 1 1.637 0.02 . 2 . . . . 67 LYS HD2 . 7271 1 756 . 1 1 89 89 LYS HE2 H 1 2.772 0.02 . 1 . . . . 67 LYS HE1 . 7271 1 757 . 1 1 89 89 LYS HE3 H 1 2.772 0.02 . 1 . . . . 67 LYS HE2 . 7271 1 758 . 1 1 89 89 LYS C C 13 175.282 0.3 . 1 . . . . 67 LYS C . 7271 1 759 . 1 1 89 89 LYS CA C 13 55.446 0.3 . 1 . . . . 67 LYS CA . 7271 1 760 . 1 1 89 89 LYS CB C 13 37.813 0.3 . 1 . . . . 67 LYS CB . 7271 1 761 . 1 1 89 89 LYS CG C 13 24.716 0.3 . 1 . . . . 67 LYS CG . 7271 1 762 . 1 1 89 89 LYS CD C 13 29.188 0.3 . 1 . . . . 67 LYS CD . 7271 1 763 . 1 1 89 89 LYS CE C 13 42.443 0.3 . 1 . . . . 67 LYS CE . 7271 1 764 . 1 1 89 89 LYS N N 15 127.362 0.25 . 1 . . . . 67 LYS N . 7271 1 765 . 1 1 90 90 ASP H H 1 8.416 0.02 . 1 . . . . 68 ASP HN . 7271 1 766 . 1 1 90 90 ASP HA H 1 4.508 0.02 . 1 . . . . 68 ASP HA . 7271 1 767 . 1 1 90 90 ASP HB2 H 1 2.820 0.02 . 2 . . . . 68 ASP HB1 . 7271 1 768 . 1 1 90 90 ASP HB3 H 1 2.494 0.02 . 2 . . . . 68 ASP HB2 . 7271 1 769 . 1 1 90 90 ASP C C 13 174.661 0.3 . 1 . . . . 68 ASP C . 7271 1 770 . 1 1 90 90 ASP CA C 13 53.034 0.3 . 1 . . . . 68 ASP CA . 7271 1 771 . 1 1 90 90 ASP CB C 13 40.948 0.3 . 1 . . . . 68 ASP CB . 7271 1 772 . 1 1 90 90 ASP N N 15 117.539 0.25 . 1 . . . . 68 ASP N . 7271 1 773 . 1 1 91 91 VAL H H 1 7.302 0.02 . 1 . . . . 69 VAL HN . 7271 1 774 . 1 1 91 91 VAL HA H 1 4.402 0.02 . 1 . . . . 69 VAL HA . 7271 1 775 . 1 1 91 91 VAL HB H 1 1.886 0.02 . 1 . . . . 69 VAL HB . 7271 1 776 . 1 1 91 91 VAL HG11 H 1 0.869 0.02 . 2 . . . . 69 VAL HG1 . 7271 1 777 . 1 1 91 91 VAL HG12 H 1 0.869 0.02 . 2 . . . . 69 VAL HG1 . 7271 1 778 . 1 1 91 91 VAL HG13 H 1 0.869 0.02 . 2 . . . . 69 VAL HG1 . 7271 1 779 . 1 1 91 91 VAL HG21 H 1 0.869 0.02 . 2 . . . . 69 VAL HG2 . 7271 1 780 . 1 1 91 91 VAL HG22 H 1 0.869 0.02 . 2 . . . . 69 VAL HG2 . 7271 1 781 . 1 1 91 91 VAL HG23 H 1 0.869 0.02 . 2 . . . . 69 VAL HG2 . 7271 1 782 . 1 1 91 91 VAL C C 13 174.971 0.3 . 1 . . . . 69 VAL C . 7271 1 783 . 1 1 91 91 VAL CA C 13 61.466 0.3 . 1 . . . . 69 VAL CA . 7271 1 784 . 1 1 91 91 VAL CB C 13 35.631 0.3 . 1 . . . . 69 VAL CB . 7271 1 785 . 1 1 91 91 VAL CG1 C 13 21.463 0.3 . 1 . . . . 69 VAL CG1 . 7271 1 786 . 1 1 91 91 VAL CG2 C 13 21.463 0.3 . 1 . . . . 69 VAL CG2 . 7271 1 787 . 1 1 91 91 VAL N N 15 118.279 0.25 . 1 . . . . 69 VAL N . 7271 1 788 . 1 1 92 92 VAL H H 1 8.064 0.02 . 1 . . . . 70 VAL HN . 7271 1 789 . 1 1 92 92 VAL HA H 1 4.665 0.02 . 1 . . . . 70 VAL HA . 7271 1 790 . 1 1 92 92 VAL HB H 1 2.437 0.02 . 1 . . . . 70 VAL HB . 7271 1 791 . 1 1 92 92 VAL HG11 H 1 0.236 0.02 . 2 . . . . 70 VAL HG1 . 7271 1 792 . 1 1 92 92 VAL HG12 H 1 0.236 0.02 . 2 . . . . 70 VAL HG1 . 7271 1 793 . 1 1 92 92 VAL HG13 H 1 0.236 0.02 . 2 . . . . 70 VAL HG1 . 7271 1 794 . 1 1 92 92 VAL HG21 H 1 -0.581 0.02 . 2 . . . . 70 VAL HG2 . 7271 1 795 . 1 1 92 92 VAL HG22 H 1 -0.581 0.02 . 2 . . . . 70 VAL HG2 . 7271 1 796 . 1 1 92 92 VAL HG23 H 1 -0.581 0.02 . 2 . . . . 70 VAL HG2 . 7271 1 797 . 1 1 92 92 VAL C C 13 173.182 0.3 . 1 . . . . 70 VAL C . 7271 1 798 . 1 1 92 92 VAL CA C 13 58.407 0.3 . 1 . . . . 70 VAL CA . 7271 1 799 . 1 1 92 92 VAL CB C 13 33.225 0.3 . 1 . . . . 70 VAL CB . 7271 1 800 . 1 1 92 92 VAL CG1 C 13 21.290 0.3 . 1 . . . . 70 VAL CG1 . 7271 1 801 . 1 1 92 92 VAL CG2 C 13 16.182 0.3 . 1 . . . . 70 VAL CG2 . 7271 1 802 . 1 1 92 92 VAL N N 15 116.769 0.25 . 1 . . . . 70 VAL N . 7271 1 803 . 1 1 93 93 GLU H H 1 8.908 0.02 . 1 . . . . 71 GLU HN . 7271 1 804 . 1 1 93 93 GLU HA H 1 4.490 0.02 . 1 . . . . 71 GLU HA . 7271 1 805 . 1 1 93 93 GLU HB2 H 1 2.070 0.02 . 2 . . . . 71 GLU HB1 . 7271 1 806 . 1 1 93 93 GLU HB3 H 1 1.896 0.02 . 2 . . . . 71 GLU HB2 . 7271 1 807 . 1 1 93 93 GLU HG2 H 1 2.372 0.02 . 2 . . . . 71 GLU HG1 . 7271 1 808 . 1 1 93 93 GLU HG3 H 1 2.249 0.02 . 2 . . . . 71 GLU HG2 . 7271 1 809 . 1 1 93 93 GLU C C 13 176.188 0.3 . 1 . . . . 71 GLU C . 7271 1 810 . 1 1 93 93 GLU CA C 13 53.684 0.3 . 1 . . . . 71 GLU CA . 7271 1 811 . 1 1 93 93 GLU CB C 13 32.046 0.3 . 1 . . . . 71 GLU CB . 7271 1 812 . 1 1 93 93 GLU CG C 13 36.577 0.3 . 1 . . . . 71 GLU CG . 7271 1 813 . 1 1 93 93 GLU N N 15 118.819 0.25 . 1 . . . . 71 GLU N . 7271 1 814 . 1 1 94 94 LEU H H 1 8.608 0.02 . 1 . . . . 72 LEU HN . 7271 1 815 . 1 1 94 94 LEU HA H 1 3.679 0.02 . 1 . . . . 72 LEU HA . 7271 1 816 . 1 1 94 94 LEU HB2 H 1 1.712 0.02 . 2 . . . . 72 LEU HB1 . 7271 1 817 . 1 1 94 94 LEU HB3 H 1 1.597 0.02 . 2 . . . . 72 LEU HB2 . 7271 1 818 . 1 1 94 94 LEU HG H 1 1.513 0.02 . 1 . . . . 72 LEU HG . 7271 1 819 . 1 1 94 94 LEU HD11 H 1 0.931 0.02 . 2 . . . . 72 LEU HD1 . 7271 1 820 . 1 1 94 94 LEU HD12 H 1 0.931 0.02 . 2 . . . . 72 LEU HD1 . 7271 1 821 . 1 1 94 94 LEU HD13 H 1 0.931 0.02 . 2 . . . . 72 LEU HD1 . 7271 1 822 . 1 1 94 94 LEU HD21 H 1 0.931 0.02 . 2 . . . . 72 LEU HD2 . 7271 1 823 . 1 1 94 94 LEU HD22 H 1 0.931 0.02 . 2 . . . . 72 LEU HD2 . 7271 1 824 . 1 1 94 94 LEU HD23 H 1 0.931 0.02 . 2 . . . . 72 LEU HD2 . 7271 1 825 . 1 1 94 94 LEU C C 13 178.765 0.3 . 1 . . . . 72 LEU C . 7271 1 826 . 1 1 94 94 LEU CA C 13 57.479 0.3 . 1 . . . . 72 LEU CA . 7271 1 827 . 1 1 94 94 LEU CB C 13 41.950 0.3 . 1 . . . . 72 LEU CB . 7271 1 828 . 1 1 94 94 LEU CG C 13 27.190 0.3 . 1 . . . . 72 LEU CG . 7271 1 829 . 1 1 94 94 LEU CD1 C 13 24.373 0.3 . 1 . . . . 72 LEU CD1 . 7271 1 830 . 1 1 94 94 LEU CD2 C 13 24.373 0.3 . 1 . . . . 72 LEU CD2 . 7271 1 831 . 1 1 94 94 LEU N N 15 121.716 0.25 . 1 . . . . 72 LEU N . 7271 1 832 . 1 1 95 95 GLY H H 1 9.094 0.02 . 1 . . . . 73 GLY HN . 7271 1 833 . 1 1 95 95 GLY HA2 H 1 4.685 0.02 . 2 . . . . 73 GLY HA1 . 7271 1 834 . 1 1 95 95 GLY HA3 H 1 3.968 0.02 . 2 . . . . 73 GLY HA2 . 7271 1 835 . 1 1 95 95 GLY C C 13 173.611 0.3 . 1 . . . . 73 GLY C . 7271 1 836 . 1 1 95 95 GLY CA C 13 45.778 0.3 . 1 . . . . 73 GLY CA . 7271 1 837 . 1 1 95 95 GLY N N 15 117.278 0.25 . 1 . . . . 73 GLY N . 7271 1 838 . 1 1 96 96 ASP H H 1 8.470 0.02 . 1 . . . . 74 ASP HN . 7271 1 839 . 1 1 96 96 ASP HA H 1 5.321 0.02 . 1 . . . . 74 ASP HA . 7271 1 840 . 1 1 96 96 ASP HB2 H 1 3.079 0.02 . 2 . . . . 74 ASP HB1 . 7271 1 841 . 1 1 96 96 ASP HB3 H 1 2.646 0.02 . 2 . . . . 74 ASP HB2 . 7271 1 842 . 1 1 96 96 ASP C C 13 175.282 0.3 . 1 . . . . 74 ASP C . 7271 1 843 . 1 1 96 96 ASP CA C 13 56.963 0.3 . 1 . . . . 74 ASP CA . 7271 1 844 . 1 1 96 96 ASP CB C 13 41.900 0.3 . 1 . . . . 74 ASP CB . 7271 1 845 . 1 1 96 96 ASP N N 15 121.995 0.25 . 1 . . . . 74 ASP N . 7271 1 846 . 1 1 97 97 VAL H H 1 8.154 0.02 . 1 . . . . 75 VAL HN . 7271 1 847 . 1 1 97 97 VAL HA H 1 5.141 0.02 . 1 . . . . 75 VAL HA . 7271 1 848 . 1 1 97 97 VAL HB H 1 1.441 0.02 . 1 . . . . 75 VAL HB . 7271 1 849 . 1 1 97 97 VAL HG11 H 1 1.014 0.02 . 2 . . . . 75 VAL HG1 . 7271 1 850 . 1 1 97 97 VAL HG12 H 1 1.014 0.02 . 2 . . . . 75 VAL HG1 . 7271 1 851 . 1 1 97 97 VAL HG13 H 1 1.014 0.02 . 2 . . . . 75 VAL HG1 . 7271 1 852 . 1 1 97 97 VAL HG21 H 1 0.891 0.02 . 2 . . . . 75 VAL HG2 . 7271 1 853 . 1 1 97 97 VAL HG22 H 1 0.891 0.02 . 2 . . . . 75 VAL HG2 . 7271 1 854 . 1 1 97 97 VAL HG23 H 1 0.891 0.02 . 2 . . . . 75 VAL HG2 . 7271 1 855 . 1 1 97 97 VAL C C 13 175.401 0.3 . 1 . . . . 75 VAL C . 7271 1 856 . 1 1 97 97 VAL CA C 13 60.380 0.3 . 1 . . . . 75 VAL CA . 7271 1 857 . 1 1 97 97 VAL CB C 13 33.720 0.3 . 1 . . . . 75 VAL CB . 7271 1 858 . 1 1 97 97 VAL CG1 C 13 22.569 0.3 . 1 . . . . 75 VAL CG1 . 7271 1 859 . 1 1 97 97 VAL CG2 C 13 20.554 0.3 . 1 . . . . 75 VAL CG2 . 7271 1 860 . 1 1 97 97 VAL N N 15 118.589 0.25 . 1 . . . . 75 VAL N . 7271 1 861 . 1 1 98 98 ALA H H 1 9.788 0.02 . 1 . . . . 76 ALA HN . 7271 1 862 . 1 1 98 98 ALA HA H 1 5.908 0.02 . 1 . . . . 76 ALA HA . 7271 1 863 . 1 1 98 98 ALA HB1 H 1 1.610 0.02 . 1 . . . . 76 ALA HB . 7271 1 864 . 1 1 98 98 ALA HB2 H 1 1.610 0.02 . 1 . . . . 76 ALA HB . 7271 1 865 . 1 1 98 98 ALA HB3 H 1 1.610 0.02 . 1 . . . . 76 ALA HB . 7271 1 866 . 1 1 98 98 ALA C C 13 173.993 0.3 . 1 . . . . 76 ALA C . 7271 1 867 . 1 1 98 98 ALA CA C 13 50.006 0.3 . 1 . . . . 76 ALA CA . 7271 1 868 . 1 1 98 98 ALA CB C 13 26.462 0.3 . 1 . . . . 76 ALA CB . 7271 1 869 . 1 1 98 98 ALA N N 15 128.798 0.25 . 1 . . . . 76 ALA N . 7271 1 870 . 1 1 99 99 TYR H H 1 9.872 0.02 . 1 . . . . 77 TYR HN . 7271 1 871 . 1 1 99 99 TYR HA H 1 5.781 0.02 . 1 . . . . 77 TYR HA . 7271 1 872 . 1 1 99 99 TYR HB2 H 1 2.904 0.02 . 2 . . . . 77 TYR HB1 . 7271 1 873 . 1 1 99 99 TYR HB3 H 1 2.743 0.02 . 2 . . . . 77 TYR HB2 . 7271 1 874 . 1 1 99 99 TYR HD1 H 1 6.740 0.02 . 3 . . . . 77 TYR HD1 . 7271 1 875 . 1 1 99 99 TYR C C 13 173.183 0.3 . 1 . . . . 77 TYR C . 7271 1 876 . 1 1 99 99 TYR CA C 13 55.933 0.3 . 1 . . . . 77 TYR CA . 7271 1 877 . 1 1 99 99 TYR CB C 13 43.839 0.3 . 1 . . . . 77 TYR CB . 7271 1 878 . 1 1 99 99 TYR N N 15 121.875 0.25 . 1 . . . . 77 TYR N . 7271 1 879 . 1 1 100 100 TRP H H 1 9.419 0.02 . 1 . . . . 78 TRP HN . 7271 1 880 . 1 1 100 100 TRP HA H 1 5.093 0.02 . 1 . . . . 78 TRP HA . 7271 1 881 . 1 1 100 100 TRP HB2 H 1 3.084 0.02 . 2 . . . . 78 TRP HB1 . 7271 1 882 . 1 1 100 100 TRP HB3 H 1 2.802 0.02 . 2 . . . . 78 TRP HB2 . 7271 1 883 . 1 1 100 100 TRP HD1 H 1 6.967 0.02 . 1 . . . . 78 TRP HD1 . 7271 1 884 . 1 1 100 100 TRP HE1 H 1 10.345 0.02 . 1 . . . . 78 TRP HE1 . 7271 1 885 . 1 1 100 100 TRP C C 13 174.733 0.3 . 1 . . . . 78 TRP C . 7271 1 886 . 1 1 100 100 TRP CA C 13 55.691 0.3 . 1 . . . . 78 TRP CA . 7271 1 887 . 1 1 100 100 TRP CB C 13 29.513 0.3 . 1 . . . . 78 TRP CB . 7271 1 888 . 1 1 100 100 TRP N N 15 130.959 0.25 . 1 . . . . 78 TRP N . 7271 1 889 . 1 1 100 100 TRP NE1 N 15 132.316 0.25 . 1 . . . . 78 TRP NE1 . 7271 1 890 . 1 1 101 101 ILE H H 1 9.118 0.02 . 1 . . . . 79 ILE HN . 7271 1 891 . 1 1 101 101 ILE HA H 1 3.452 0.02 . 1 . . . . 79 ILE HA . 7271 1 892 . 1 1 101 101 ILE HB H 1 1.850 0.02 . 1 . . . . 79 ILE HB . 7271 1 893 . 1 1 101 101 ILE HG12 H 1 1.682 0.02 . 1 . . . . 79 ILE HG11 . 7271 1 894 . 1 1 101 101 ILE HG13 H 1 1.343 0.02 . 1 . . . . 79 ILE HG12 . 7271 1 895 . 1 1 101 101 ILE HG21 H 1 0.905 0.02 . 1 . . . . 79 ILE HG2 . 7271 1 896 . 1 1 101 101 ILE HG22 H 1 0.905 0.02 . 1 . . . . 79 ILE HG2 . 7271 1 897 . 1 1 101 101 ILE HG23 H 1 0.905 0.02 . 1 . . . . 79 ILE HG2 . 7271 1 898 . 1 1 101 101 ILE HD11 H 1 0.815 0.02 . 1 . . . . 79 ILE HD1 . 7271 1 899 . 1 1 101 101 ILE HD12 H 1 0.815 0.02 . 1 . . . . 79 ILE HD1 . 7271 1 900 . 1 1 101 101 ILE HD13 H 1 0.815 0.02 . 1 . . . . 79 ILE HD1 . 7271 1 901 . 1 1 101 101 ILE CA C 13 67.008 0.3 . 1 . . . . 79 ILE CA . 7271 1 902 . 1 1 101 101 ILE CB C 13 36.450 0.3 . 1 . . . . 79 ILE CB . 7271 1 903 . 1 1 101 101 ILE CG1 C 13 29.062 0.3 . 1 . . . . 79 ILE CG1 . 7271 1 904 . 1 1 101 101 ILE CG2 C 13 16.858 0.3 . 1 . . . . 79 ILE CG2 . 7271 1 905 . 1 1 101 101 ILE CD1 C 13 13.607 0.3 . 1 . . . . 79 ILE CD1 . 7271 1 906 . 1 1 101 101 ILE N N 15 127.795 0.25 . 1 . . . . 79 ILE N . 7271 1 907 . 1 1 102 102 PRO CA C 13 61.332 0.3 . 1 . . . . 80 PRO CA . 7271 1 908 . 1 1 102 102 PRO CB C 13 33.308 0.3 . 1 . . . . 80 PRO CB . 7271 1 909 . 1 1 102 102 PRO CG C 13 26.634 0.3 . 1 . . . . 80 PRO CG . 7271 1 910 . 1 1 102 102 PRO CD C 13 49.462 0.3 . 1 . . . . 80 PRO CD . 7271 1 911 . 1 1 103 103 GLY HA2 H 1 4.295 0.02 . 2 . . . . 81 GLY HA1 . 7271 1 912 . 1 1 103 103 GLY HA3 H 1 3.245 0.02 . 2 . . . . 81 GLY HA2 . 7271 1 913 . 1 1 103 103 GLY C C 13 172.753 0.3 . 1 . . . . 81 GLY C . 7271 1 914 . 1 1 103 103 GLY CA C 13 44.340 0.3 . 1 . . . . 81 GLY CA . 7271 1 915 . 1 1 104 104 LYS H H 1 7.827 0.02 . 1 . . . . 82 LYS HN . 7271 1 916 . 1 1 104 104 LYS HA H 1 3.611 0.02 . 1 . . . . 82 LYS HA . 7271 1 917 . 1 1 104 104 LYS HB2 H 1 1.674 0.02 . 1 . . . . 82 LYS HB1 . 7271 1 918 . 1 1 104 104 LYS HB3 H 1 1.674 0.02 . 1 . . . . 82 LYS HB2 . 7271 1 919 . 1 1 104 104 LYS HG2 H 1 1.518 0.02 . 2 . . . . 82 LYS HG1 . 7271 1 920 . 1 1 104 104 LYS HG3 H 1 1.369 0.02 . 2 . . . . 82 LYS HG2 . 7271 1 921 . 1 1 104 104 LYS HD2 H 1 2.217 0.02 . 1 . . . . 82 LYS HD1 . 7271 1 922 . 1 1 104 104 LYS HD3 H 1 2.217 0.02 . 1 . . . . 82 LYS HD2 . 7271 1 923 . 1 1 104 104 LYS HE2 H 1 3.005 0.02 . 1 . . . . 82 LYS HE1 . 7271 1 924 . 1 1 104 104 LYS HE3 H 1 3.005 0.02 . 1 . . . . 82 LYS HE2 . 7271 1 925 . 1 1 104 104 LYS C C 13 174.995 0.3 . 1 . . . . 82 LYS C . 7271 1 926 . 1 1 104 104 LYS CA C 13 57.112 0.3 . 1 . . . . 82 LYS CA . 7271 1 927 . 1 1 104 104 LYS CB C 13 29.479 0.3 . 1 . . . . 82 LYS CB . 7271 1 928 . 1 1 104 104 LYS CG C 13 24.866 0.3 . 1 . . . . 82 LYS CG . 7271 1 929 . 1 1 104 104 LYS CD C 13 29.602 0.3 . 1 . . . . 82 LYS CD . 7271 1 930 . 1 1 104 104 LYS CE C 13 42.842 0.3 . 1 . . . . 82 LYS CE . 7271 1 931 . 1 1 104 104 LYS N N 15 120.856 0.25 . 1 . . . . 82 LYS N . 7271 1 932 . 1 1 105 105 ALA H H 1 7.506 0.02 . 1 . . . . 83 ALA HN . 7271 1 933 . 1 1 105 105 ALA HA H 1 5.502 0.02 . 1 . . . . 83 ALA HA . 7271 1 934 . 1 1 105 105 ALA HB1 H 1 1.393 0.02 . 1 . . . . 83 ALA HB . 7271 1 935 . 1 1 105 105 ALA HB2 H 1 1.393 0.02 . 1 . . . . 83 ALA HB . 7271 1 936 . 1 1 105 105 ALA HB3 H 1 1.393 0.02 . 1 . . . . 83 ALA HB . 7271 1 937 . 1 1 105 105 ALA C C 13 177.238 0.3 . 1 . . . . 83 ALA C . 7271 1 938 . 1 1 105 105 ALA CA C 13 50.692 0.3 . 1 . . . . 83 ALA CA . 7271 1 939 . 1 1 105 105 ALA CB C 13 22.785 0.3 . 1 . . . . 83 ALA CB . 7271 1 940 . 1 1 105 105 ALA N N 15 119.313 0.25 . 1 . . . . 83 ALA N . 7271 1 941 . 1 1 106 106 ILE H H 1 7.888 0.02 . 1 . . . . 84 ILE HN . 7271 1 942 . 1 1 106 106 ILE HA H 1 4.767 0.02 . 1 . . . . 84 ILE HA . 7271 1 943 . 1 1 106 106 ILE HG12 H 1 1.803 0.02 . 1 . . . . 84 ILE HG11 . 7271 1 944 . 1 1 106 106 ILE HG13 H 1 1.003 0.02 . 1 . . . . 84 ILE HG12 . 7271 1 945 . 1 1 106 106 ILE HG21 H 1 0.682 0.02 . 1 . . . . 84 ILE HG2 . 7271 1 946 . 1 1 106 106 ILE HG22 H 1 0.682 0.02 . 1 . . . . 84 ILE HG2 . 7271 1 947 . 1 1 106 106 ILE HG23 H 1 0.682 0.02 . 1 . . . . 84 ILE HG2 . 7271 1 948 . 1 1 106 106 ILE HD11 H 1 0.915 0.02 . 1 . . . . 84 ILE HD1 . 7271 1 949 . 1 1 106 106 ILE HD12 H 1 0.915 0.02 . 1 . . . . 84 ILE HD1 . 7271 1 950 . 1 1 106 106 ILE HD13 H 1 0.915 0.02 . 1 . . . . 84 ILE HD1 . 7271 1 951 . 1 1 106 106 ILE C C 13 174.184 0.3 . 1 . . . . 84 ILE C . 7271 1 952 . 1 1 106 106 ILE CA C 13 60.829 0.3 . 1 . . . . 84 ILE CA . 7271 1 953 . 1 1 106 106 ILE CB C 13 37.303 0.3 . 1 . . . . 84 ILE CB . 7271 1 954 . 1 1 106 106 ILE CG1 C 13 28.755 0.3 . 1 . . . . 84 ILE CG1 . 7271 1 955 . 1 1 106 106 ILE CG2 C 13 16.633 0.3 . 1 . . . . 84 ILE CG2 . 7271 1 956 . 1 1 106 106 ILE CD1 C 13 13.083 0.3 . 1 . . . . 84 ILE CD1 . 7271 1 957 . 1 1 106 106 ILE N N 15 121.464 0.25 . 1 . . . . 84 ILE N . 7271 1 958 . 1 1 107 107 CYS H H 1 9.058 0.02 . 1 . . . . 85 CYS HN . 7271 1 959 . 1 1 107 107 CYS HA H 1 5.257 0.02 . 1 . . . . 85 CYS HA . 7271 1 960 . 1 1 107 107 CYS HB2 H 1 2.667 0.02 . 1 . . . . 85 CYS HB1 . 7271 1 961 . 1 1 107 107 CYS HB3 H 1 2.667 0.02 . 1 . . . . 85 CYS HB2 . 7271 1 962 . 1 1 107 107 CYS C C 13 173.516 0.3 . 1 . . . . 85 CYS C . 7271 1 963 . 1 1 107 107 CYS CA C 13 56.226 0.3 . 1 . . . . 85 CYS CA . 7271 1 964 . 1 1 107 107 CYS CB C 13 32.296 0.3 . 1 . . . . 85 CYS CB . 7271 1 965 . 1 1 107 107 CYS N N 15 122.909 0.25 . 1 . . . . 85 CYS N . 7271 1 966 . 1 1 108 108 LEU H H 1 9.705 0.02 . 1 . . . . 86 LEU HN . 7271 1 967 . 1 1 108 108 LEU HA H 1 5.015 0.02 . 1 . . . . 86 LEU HA . 7271 1 968 . 1 1 108 108 LEU HB2 H 1 2.136 0.02 . 2 . . . . 86 LEU HB1 . 7271 1 969 . 1 1 108 108 LEU HB3 H 1 1.633 0.02 . 2 . . . . 86 LEU HB2 . 7271 1 970 . 1 1 108 108 LEU HG H 1 1.896 0.02 . 1 . . . . 86 LEU HG . 7271 1 971 . 1 1 108 108 LEU HD11 H 1 1.043 0.02 . 2 . . . . 86 LEU HD1 . 7271 1 972 . 1 1 108 108 LEU HD12 H 1 1.043 0.02 . 2 . . . . 86 LEU HD1 . 7271 1 973 . 1 1 108 108 LEU HD13 H 1 1.043 0.02 . 2 . . . . 86 LEU HD1 . 7271 1 974 . 1 1 108 108 LEU HD21 H 1 1.226 0.02 . 2 . . . . 86 LEU HD2 . 7271 1 975 . 1 1 108 108 LEU HD22 H 1 1.226 0.02 . 2 . . . . 86 LEU HD2 . 7271 1 976 . 1 1 108 108 LEU HD23 H 1 1.226 0.02 . 2 . . . . 86 LEU HD2 . 7271 1 977 . 1 1 108 108 LEU C C 13 175.162 0.3 . 1 . . . . 86 LEU C . 7271 1 978 . 1 1 108 108 LEU CA C 13 53.583 0.3 . 1 . . . . 86 LEU CA . 7271 1 979 . 1 1 108 108 LEU CB C 13 44.633 0.3 . 1 . . . . 86 LEU CB . 7271 1 980 . 1 1 108 108 LEU CG C 13 26.105 0.3 . 1 . . . . 86 LEU CG . 7271 1 981 . 1 1 108 108 LEU CD1 C 13 25.963 0.3 . 1 . . . . 86 LEU CD1 . 7271 1 982 . 1 1 108 108 LEU CD2 C 13 26.460 0.3 . 1 . . . . 86 LEU CD2 . 7271 1 983 . 1 1 108 108 LEU N N 15 122.615 0.25 . 1 . . . . 86 LEU N . 7271 1 984 . 1 1 109 109 PHE H H 1 8.511 0.02 . 1 . . . . 87 PHE HN . 7271 1 985 . 1 1 109 109 PHE HA H 1 4.827 0.02 . 1 . . . . 87 PHE HA . 7271 1 986 . 1 1 109 109 PHE HB2 H 1 3.410 0.02 . 2 . . . . 87 PHE HB1 . 7271 1 987 . 1 1 109 109 PHE HB3 H 1 2.847 0.02 . 2 . . . . 87 PHE HB2 . 7271 1 988 . 1 1 109 109 PHE HD1 H 1 7.174 0.02 . 3 . . . . 87 PHE HD1 . 7271 1 989 . 1 1 109 109 PHE C C 13 174.852 0.3 . 1 . . . . 87 PHE C . 7271 1 990 . 1 1 109 109 PHE CA C 13 58.382 0.3 . 1 . . . . 87 PHE CA . 7271 1 991 . 1 1 109 109 PHE CB C 13 39.651 0.3 . 1 . . . . 87 PHE CB . 7271 1 992 . 1 1 109 109 PHE N N 15 119.436 0.25 . 1 . . . . 87 PHE N . 7271 1 993 . 1 1 110 110 PHE H H 1 7.998 0.02 . 1 . . . . 88 PHE HN . 7271 1 994 . 1 1 110 110 PHE HA H 1 5.302 0.02 . 1 . . . . 88 PHE HA . 7271 1 995 . 1 1 110 110 PHE HB2 H 1 3.634 0.02 . 2 . . . . 88 PHE HB1 . 7271 1 996 . 1 1 110 110 PHE HB3 H 1 2.503 0.02 . 2 . . . . 88 PHE HB2 . 7271 1 997 . 1 1 110 110 PHE HD1 H 1 6.845 0.02 . 3 . . . . 88 PHE HD1 . 7271 1 998 . 1 1 110 110 PHE C C 13 172.466 0.3 . 1 . . . . 88 PHE C . 7271 1 999 . 1 1 110 110 PHE CA C 13 55.230 0.3 . 1 . . . . 88 PHE CA . 7271 1 1000 . 1 1 110 110 PHE CB C 13 38.516 0.3 . 1 . . . . 88 PHE CB . 7271 1 1001 . 1 1 110 110 PHE N N 15 119.565 0.25 . 1 . . . . 88 PHE N . 7271 1 1002 . 1 1 111 111 GLY H H 1 7.452 0.02 . 1 . . . . 89 GLY HN . 7271 1 1003 . 1 1 111 111 GLY HA2 H 1 4.217 0.02 . 2 . . . . 89 GLY HA1 . 7271 1 1004 . 1 1 111 111 GLY HA3 H 1 3.765 0.02 . 2 . . . . 89 GLY HA2 . 7271 1 1005 . 1 1 111 111 GLY C C 13 169.937 0.3 . 1 . . . . 89 GLY C . 7271 1 1006 . 1 1 111 111 GLY CA C 13 44.923 0.3 . 1 . . . . 89 GLY CA . 7271 1 1007 . 1 1 111 111 GLY N N 15 109.122 0.25 . 1 . . . . 89 GLY N . 7271 1 1008 . 1 1 112 112 LYS H H 1 8.701 0.02 . 1 . . . . 90 LYS HN . 7271 1 1009 . 1 1 112 112 LYS HA H 1 3.990 0.02 . 1 . . . . 90 LYS HA . 7271 1 1010 . 1 1 112 112 LYS HB2 H 1 1.869 0.02 . 2 . . . . 90 LYS HB1 . 7271 1 1011 . 1 1 112 112 LYS HB3 H 1 1.720 0.02 . 2 . . . . 90 LYS HB2 . 7271 1 1012 . 1 1 112 112 LYS HG2 H 1 1.610 0.02 . 2 . . . . 90 LYS HG1 . 7271 1 1013 . 1 1 112 112 LYS HG3 H 1 1.302 0.02 . 2 . . . . 90 LYS HG2 . 7271 1 1014 . 1 1 112 112 LYS HD2 H 1 1.597 0.02 . 1 . . . . 90 LYS HD1 . 7271 1 1015 . 1 1 112 112 LYS HD3 H 1 1.597 0.02 . 1 . . . . 90 LYS HD2 . 7271 1 1016 . 1 1 112 112 LYS HE2 H 1 2.921 0.02 . 1 . . . . 90 LYS HE1 . 7271 1 1017 . 1 1 112 112 LYS HE3 H 1 2.921 0.02 . 1 . . . . 90 LYS HE2 . 7271 1 1018 . 1 1 112 112 LYS C C 13 178.121 0.3 . 1 . . . . 90 LYS C . 7271 1 1019 . 1 1 112 112 LYS CA C 13 57.914 0.3 . 1 . . . . 90 LYS CA . 7271 1 1020 . 1 1 112 112 LYS CB C 13 33.307 0.3 . 1 . . . . 90 LYS CB . 7271 1 1021 . 1 1 112 112 LYS CG C 13 26.270 0.3 . 1 . . . . 90 LYS CG . 7271 1 1022 . 1 1 112 112 LYS CD C 13 29.062 0.3 . 1 . . . . 90 LYS CD . 7271 1 1023 . 1 1 112 112 LYS CE C 13 42.302 0.3 . 1 . . . . 90 LYS CE . 7271 1 1024 . 1 1 112 112 LYS N N 15 115.351 0.25 . 1 . . . . 90 LYS N . 7271 1 1025 . 1 1 113 113 THR H H 1 7.382 0.02 . 1 . . . . 91 THR HN . 7271 1 1026 . 1 1 113 113 THR HA H 1 4.443 0.02 . 1 . . . . 91 THR HA . 7271 1 1027 . 1 1 113 113 THR HB H 1 3.942 0.02 . 1 . . . . 91 THR HB . 7271 1 1028 . 1 1 113 113 THR HG21 H 1 1.436 0.02 . 1 . . . . 91 THR HG2 . 7271 1 1029 . 1 1 113 113 THR HG22 H 1 1.436 0.02 . 1 . . . . 91 THR HG2 . 7271 1 1030 . 1 1 113 113 THR HG23 H 1 1.436 0.02 . 1 . . . . 91 THR HG2 . 7271 1 1031 . 1 1 113 113 THR CA C 13 59.136 0.3 . 1 . . . . 91 THR CA . 7271 1 1032 . 1 1 113 113 THR CB C 13 68.581 0.3 . 1 . . . . 91 THR CB . 7271 1 1033 . 1 1 113 113 THR CG2 C 13 21.204 0.3 . 1 . . . . 91 THR CG2 . 7271 1 1034 . 1 1 113 113 THR N N 15 110.794 0.25 . 1 . . . . 91 THR N . 7271 1 1035 . 1 1 114 114 PRO C C 13 176.331 0.3 . 1 . . . . 92 PRO C . 7271 1 1036 . 1 1 114 114 PRO CA C 13 65.076 0.3 . 1 . . . . 92 PRO CA . 7271 1 1037 . 1 1 114 114 PRO CB C 13 32.432 0.3 . 1 . . . . 92 PRO CB . 7271 1 1038 . 1 1 114 114 PRO CG C 13 27.675 0.3 . 1 . . . . 92 PRO CG . 7271 1 1039 . 1 1 115 115 ILE H H 1 5.965 0.02 . 1 . . . . 93 ILE HN . 7271 1 1040 . 1 1 115 115 ILE HA H 1 4.637 0.02 . 1 . . . . 93 ILE HA . 7271 1 1041 . 1 1 115 115 ILE HB H 1 2.230 0.02 . 1 . . . . 93 ILE HB . 7271 1 1042 . 1 1 115 115 ILE HG12 H 1 1.060 0.02 . 1 . . . . 93 ILE HG11 . 7271 1 1043 . 1 1 115 115 ILE HG13 H 1 1.060 0.02 . 1 . . . . 93 ILE HG12 . 7271 1 1044 . 1 1 115 115 ILE HG21 H 1 1.005 0.02 . 1 . . . . 93 ILE HG2 . 7271 1 1045 . 1 1 115 115 ILE HG22 H 1 1.005 0.02 . 1 . . . . 93 ILE HG2 . 7271 1 1046 . 1 1 115 115 ILE HG23 H 1 1.005 0.02 . 1 . . . . 93 ILE HG2 . 7271 1 1047 . 1 1 115 115 ILE HD11 H 1 0.929 0.02 . 1 . . . . 93 ILE HD1 . 7271 1 1048 . 1 1 115 115 ILE HD12 H 1 0.929 0.02 . 1 . . . . 93 ILE HD1 . 7271 1 1049 . 1 1 115 115 ILE HD13 H 1 0.929 0.02 . 1 . . . . 93 ILE HD1 . 7271 1 1050 . 1 1 115 115 ILE C C 13 176.236 0.3 . 1 . . . . 93 ILE C . 7271 1 1051 . 1 1 115 115 ILE CA C 13 60.355 0.3 . 1 . . . . 93 ILE CA . 7271 1 1052 . 1 1 115 115 ILE CB C 13 37.838 0.3 . 1 . . . . 93 ILE CB . 7271 1 1053 . 1 1 115 115 ILE CG1 C 13 26.278 0.3 . 1 . . . . 93 ILE CG1 . 7271 1 1054 . 1 1 115 115 ILE CG2 C 13 17.260 0.3 . 1 . . . . 93 ILE CG2 . 7271 1 1055 . 1 1 115 115 ILE CD1 C 13 14.353 0.3 . 1 . . . . 93 ILE CD1 . 7271 1 1056 . 1 1 115 115 ILE N N 15 104.289 0.25 . 1 . . . . 93 ILE N . 7271 1 1057 . 1 1 116 116 SER H H 1 7.418 0.02 . 1 . . . . 94 SER HN . 7271 1 1058 . 1 1 116 116 SER HA H 1 4.197 0.02 . 1 . . . . 94 SER HA . 7271 1 1059 . 1 1 116 116 SER HB2 H 1 4.392 0.02 . 2 . . . . 94 SER HB1 . 7271 1 1060 . 1 1 116 116 SER HB3 H 1 3.995 0.02 . 2 . . . . 94 SER HB2 . 7271 1 1061 . 1 1 116 116 SER CA C 13 60.738 0.3 . 1 . . . . 94 SER CA . 7271 1 1062 . 1 1 116 116 SER CB C 13 63.888 0.3 . 1 . . . . 94 SER CB . 7271 1 1063 . 1 1 116 116 SER N N 15 117.539 0.25 . 1 . . . . 94 SER N . 7271 1 1064 . 1 1 118 118 ASP HA H 1 4.489 0.02 . 1 . . . . 96 ASP HA . 7271 1 1065 . 1 1 118 118 ASP HB2 H 1 2.697 0.02 . 1 . . . . 96 ASP HB1 . 7271 1 1066 . 1 1 118 118 ASP HB3 H 1 2.697 0.02 . 1 . . . . 96 ASP HB2 . 7271 1 1067 . 1 1 118 118 ASP C C 13 176.021 0.3 . 1 . . . . 96 ASP C . 7271 1 1068 . 1 1 118 118 ASP CA C 13 55.826 0.3 . 1 . . . . 96 ASP CA . 7271 1 1069 . 1 1 118 118 ASP CB C 13 39.794 0.3 . 1 . . . . 96 ASP CB . 7271 1 1070 . 1 1 119 119 LYS H H 1 8.427 0.02 . 1 . . . . 97 LYS HN . 7271 1 1071 . 1 1 119 119 LYS HA H 1 4.508 0.02 . 1 . . . . 97 LYS HA . 7271 1 1072 . 1 1 119 119 LYS HB2 H 1 1.765 0.02 . 2 . . . . 97 LYS HB1 . 7271 1 1073 . 1 1 119 119 LYS HB3 H 1 1.648 0.02 . 2 . . . . 97 LYS HB2 . 7271 1 1074 . 1 1 119 119 LYS HG2 H 1 1.389 0.02 . 1 . . . . 97 LYS HG1 . 7271 1 1075 . 1 1 119 119 LYS HG3 H 1 1.389 0.02 . 1 . . . . 97 LYS HG2 . 7271 1 1076 . 1 1 119 119 LYS HD2 H 1 1.664 0.02 . 2 . . . . 97 LYS HD1 . 7271 1 1077 . 1 1 119 119 LYS HD3 H 1 1.591 0.02 . 2 . . . . 97 LYS HD2 . 7271 1 1078 . 1 1 119 119 LYS HE2 H 1 2.981 0.02 . 1 . . . . 97 LYS HE1 . 7271 1 1079 . 1 1 119 119 LYS HE3 H 1 2.981 0.02 . 1 . . . . 97 LYS HE2 . 7271 1 1080 . 1 1 119 119 LYS C C 13 175.162 0.3 . 1 . . . . 97 LYS C . 7271 1 1081 . 1 1 119 119 LYS CA C 13 53.901 0.3 . 1 . . . . 97 LYS CA . 7271 1 1082 . 1 1 119 119 LYS CB C 13 34.061 0.3 . 1 . . . . 97 LYS CB . 7271 1 1083 . 1 1 119 119 LYS CG C 13 24.883 0.3 . 1 . . . . 97 LYS CG . 7271 1 1084 . 1 1 119 119 LYS CD C 13 28.761 0.3 . 1 . . . . 97 LYS CD . 7271 1 1085 . 1 1 119 119 LYS CE C 13 42.260 0.3 . 1 . . . . 97 LYS CE . 7271 1 1086 . 1 1 119 119 LYS N N 15 120.049 0.25 . 1 . . . . 97 LYS N . 7271 1 1087 . 1 1 120 120 ILE H H 1 8.542 0.02 . 1 . . . . 98 ILE HN . 7271 1 1088 . 1 1 120 120 ILE HA H 1 3.922 0.02 . 1 . . . . 98 ILE HA . 7271 1 1089 . 1 1 120 120 ILE HB H 1 1.815 0.02 . 1 . . . . 98 ILE HB . 7271 1 1090 . 1 1 120 120 ILE HG12 H 1 1.653 0.02 . 1 . . . . 98 ILE HG11 . 7271 1 1091 . 1 1 120 120 ILE HG13 H 1 1.653 0.02 . 1 . . . . 98 ILE HG12 . 7271 1 1092 . 1 1 120 120 ILE HG21 H 1 0.636 0.02 . 1 . . . . 98 ILE HG2 . 7271 1 1093 . 1 1 120 120 ILE HG22 H 1 0.636 0.02 . 1 . . . . 98 ILE HG2 . 7271 1 1094 . 1 1 120 120 ILE HG23 H 1 0.636 0.02 . 1 . . . . 98 ILE HG2 . 7271 1 1095 . 1 1 120 120 ILE HD11 H 1 0.675 0.02 . 1 . . . . 98 ILE HD1 . 7271 1 1096 . 1 1 120 120 ILE HD12 H 1 0.675 0.02 . 1 . . . . 98 ILE HD1 . 7271 1 1097 . 1 1 120 120 ILE HD13 H 1 0.675 0.02 . 1 . . . . 98 ILE HD1 . 7271 1 1098 . 1 1 120 120 ILE C C 13 175.138 0.3 . 1 . . . . 98 ILE C . 7271 1 1099 . 1 1 120 120 ILE CA C 13 62.001 0.3 . 1 . . . . 98 ILE CA . 7271 1 1100 . 1 1 120 120 ILE CB C 13 35.949 0.3 . 1 . . . . 98 ILE CB . 7271 1 1101 . 1 1 120 120 ILE CG1 C 13 27.925 0.3 . 1 . . . . 98 ILE CG1 . 7271 1 1102 . 1 1 120 120 ILE CG2 C 13 19.231 0.3 . 1 . . . . 98 ILE CG2 . 7271 1 1103 . 1 1 120 120 ILE CD1 C 13 12.546 0.3 . 1 . . . . 98 ILE CD1 . 7271 1 1104 . 1 1 120 120 ILE N N 15 120.832 0.25 . 1 . . . . 98 ILE N . 7271 1 1105 . 1 1 121 121 ARG H H 1 7.819 0.02 . 1 . . . . 99 ARG HN . 7271 1 1106 . 1 1 121 121 ARG HA H 1 5.009 0.02 . 1 . . . . 99 ARG HA . 7271 1 1107 . 1 1 121 121 ARG HB2 H 1 1.670 0.02 . 2 . . . . 99 ARG HB1 . 7271 1 1108 . 1 1 121 121 ARG HB3 H 1 1.294 0.02 . 2 . . . . 99 ARG HB2 . 7271 1 1109 . 1 1 121 121 ARG HG2 H 1 1.664 0.02 . 1 . . . . 99 ARG HG1 . 7271 1 1110 . 1 1 121 121 ARG HG3 H 1 1.664 0.02 . 1 . . . . 99 ARG HG2 . 7271 1 1111 . 1 1 121 121 ARG HD2 H 1 3.198 0.02 . 1 . . . . 99 ARG HD1 . 7271 1 1112 . 1 1 121 121 ARG HD3 H 1 3.198 0.02 . 1 . . . . 99 ARG HD2 . 7271 1 1113 . 1 1 121 121 ARG CA C 13 51.671 0.3 . 1 . . . . 99 ARG CA . 7271 1 1114 . 1 1 121 121 ARG CB C 13 31.420 0.3 . 1 . . . . 99 ARG CB . 7271 1 1115 . 1 1 121 121 ARG CG C 13 27.947 0.3 . 1 . . . . 99 ARG CG . 7271 1 1116 . 1 1 121 121 ARG CD C 13 43.321 0.3 . 1 . . . . 99 ARG CD . 7271 1 1117 . 1 1 121 121 ARG N N 15 126.727 0.25 . 1 . . . . 99 ARG N . 7271 1 1118 . 1 1 122 122 PRO HA H 1 4.769 0.02 . 1 . . . . 100 PRO HA . 7271 1 1119 . 1 1 122 122 PRO HB2 H 1 2.385 0.02 . 2 . . . . 100 PRO HB1 . 7271 1 1120 . 1 1 122 122 PRO HB3 H 1 2.102 0.02 . 2 . . . . 100 PRO HB2 . 7271 1 1121 . 1 1 122 122 PRO HG2 H 1 1.650 0.02 . 2 . . . . 100 PRO HG1 . 7271 1 1122 . 1 1 122 122 PRO HG3 H 1 1.517 0.02 . 2 . . . . 100 PRO HG2 . 7271 1 1123 . 1 1 122 122 PRO HD2 H 1 3.875 0.02 . 2 . . . . 100 PRO HD1 . 7271 1 1124 . 1 1 122 122 PRO HD3 H 1 3.304 0.02 . 2 . . . . 100 PRO HD2 . 7271 1 1125 . 1 1 122 122 PRO C C 13 175.067 0.3 . 1 . . . . 100 PRO C . 7271 1 1126 . 1 1 122 122 PRO CA C 13 61.600 0.3 . 1 . . . . 100 PRO CA . 7271 1 1127 . 1 1 122 122 PRO CB C 13 33.084 0.3 . 1 . . . . 100 PRO CB . 7271 1 1128 . 1 1 122 122 PRO CG C 13 26.570 0.3 . 1 . . . . 100 PRO CG . 7271 1 1129 . 1 1 122 122 PRO CD C 13 50.543 0.3 . 1 . . . . 100 PRO CD . 7271 1 1130 . 1 1 123 123 ALA H H 1 8.508 0.02 . 1 . . . . 101 ALA HN . 7271 1 1131 . 1 1 123 123 ALA HA H 1 3.753 0.02 . 1 . . . . 101 ALA HA . 7271 1 1132 . 1 1 123 123 ALA HB1 H 1 0.388 0.02 . 1 . . . . 101 ALA HB . 7271 1 1133 . 1 1 123 123 ALA HB2 H 1 0.388 0.02 . 1 . . . . 101 ALA HB . 7271 1 1134 . 1 1 123 123 ALA HB3 H 1 0.388 0.02 . 1 . . . . 101 ALA HB . 7271 1 1135 . 1 1 123 123 ALA C C 13 178.098 0.3 . 1 . . . . 101 ALA C . 7271 1 1136 . 1 1 123 123 ALA CA C 13 55.207 0.3 . 1 . . . . 101 ALA CA . 7271 1 1137 . 1 1 123 123 ALA CB C 13 17.722 0.3 . 1 . . . . 101 ALA CB . 7271 1 1138 . 1 1 123 123 ALA N N 15 121.268 0.25 . 1 . . . . 101 ALA N . 7271 1 1139 . 1 1 124 124 SER H H 1 7.393 0.02 . 1 . . . . 102 SER HN . 7271 1 1140 . 1 1 124 124 SER HA H 1 4.281 0.02 . 1 . . . . 102 SER HA . 7271 1 1141 . 1 1 124 124 SER HB2 H 1 4.144 0.02 . 1 . . . . 102 SER HB1 . 7271 1 1142 . 1 1 124 124 SER HB3 H 1 4.144 0.02 . 1 . . . . 102 SER HB2 . 7271 1 1143 . 1 1 124 124 SER C C 13 171.416 0.3 . 1 . . . . 102 SER C . 7271 1 1144 . 1 1 124 124 SER CA C 13 56.971 0.3 . 1 . . . . 102 SER CA . 7271 1 1145 . 1 1 124 124 SER CB C 13 63.707 0.3 . 1 . . . . 102 SER CB . 7271 1 1146 . 1 1 124 124 SER N N 15 104.804 0.25 . 1 . . . . 102 SER N . 7271 1 1147 . 1 1 125 125 ALA H H 1 8.190 0.02 . 1 . . . . 103 ALA HN . 7271 1 1148 . 1 1 125 125 ALA HA H 1 4.343 0.02 . 1 . . . . 103 ALA HA . 7271 1 1149 . 1 1 125 125 ALA HB1 H 1 1.291 0.02 . 1 . . . . 103 ALA HB . 7271 1 1150 . 1 1 125 125 ALA HB2 H 1 1.291 0.02 . 1 . . . . 103 ALA HB . 7271 1 1151 . 1 1 125 125 ALA HB3 H 1 1.291 0.02 . 1 . . . . 103 ALA HB . 7271 1 1152 . 1 1 125 125 ALA C C 13 177.858 0.3 . 1 . . . . 103 ALA C . 7271 1 1153 . 1 1 125 125 ALA CA C 13 53.828 0.3 . 1 . . . . 103 ALA CA . 7271 1 1154 . 1 1 125 125 ALA CB C 13 18.656 0.3 . 1 . . . . 103 ALA CB . 7271 1 1155 . 1 1 125 125 ALA N N 15 118.291 0.25 . 1 . . . . 103 ALA N . 7271 1 1156 . 1 1 126 126 VAL H H 1 8.300 0.02 . 1 . . . . 104 VAL HN . 7271 1 1157 . 1 1 126 126 VAL HA H 1 5.132 0.02 . 1 . . . . 104 VAL HA . 7271 1 1158 . 1 1 126 126 VAL HB H 1 2.102 0.02 . 1 . . . . 104 VAL HB . 7271 1 1159 . 1 1 126 126 VAL HG11 H 1 1.252 0.02 . 2 . . . . 104 VAL HG1 . 7271 1 1160 . 1 1 126 126 VAL HG12 H 1 1.252 0.02 . 2 . . . . 104 VAL HG1 . 7271 1 1161 . 1 1 126 126 VAL HG13 H 1 1.252 0.02 . 2 . . . . 104 VAL HG1 . 7271 1 1162 . 1 1 126 126 VAL HG21 H 1 0.768 0.02 . 2 . . . . 104 VAL HG2 . 7271 1 1163 . 1 1 126 126 VAL HG22 H 1 0.768 0.02 . 2 . . . . 104 VAL HG2 . 7271 1 1164 . 1 1 126 126 VAL HG23 H 1 0.768 0.02 . 2 . . . . 104 VAL HG2 . 7271 1 1165 . 1 1 126 126 VAL C C 13 174.542 0.3 . 1 . . . . 104 VAL C . 7271 1 1166 . 1 1 126 126 VAL CA C 13 58.792 0.3 . 1 . . . . 104 VAL CA . 7271 1 1167 . 1 1 126 126 VAL CB C 13 35.941 0.3 . 1 . . . . 104 VAL CB . 7271 1 1168 . 1 1 126 126 VAL CG1 C 13 22.859 0.3 . 1 . . . . 104 VAL CG1 . 7271 1 1169 . 1 1 126 126 VAL CG2 C 13 18.665 0.3 . 1 . . . . 104 VAL CG2 . 7271 1 1170 . 1 1 126 126 VAL N N 15 111.166 0.25 . 1 . . . . 104 VAL N . 7271 1 1171 . 1 1 127 127 ASN H H 1 9.178 0.02 . 1 . . . . 105 ASN HN . 7271 1 1172 . 1 1 127 127 ASN HA H 1 5.123 0.02 . 1 . . . . 105 ASN HA . 7271 1 1173 . 1 1 127 127 ASN HB2 H 1 3.421 0.02 . 2 . . . . 105 ASN HB1 . 7271 1 1174 . 1 1 127 127 ASN HB3 H 1 2.926 0.02 . 2 . . . . 105 ASN HB2 . 7271 1 1175 . 1 1 127 127 ASN HD21 H 1 6.926 0.02 . 2 . . . . 105 ASN HD21 . 7271 1 1176 . 1 1 127 127 ASN HD22 H 1 7.597 0.02 . 2 . . . . 105 ASN HD22 . 7271 1 1177 . 1 1 127 127 ASN C C 13 176.093 0.3 . 1 . . . . 105 ASN C . 7271 1 1178 . 1 1 127 127 ASN CA C 13 52.105 0.3 . 1 . . . . 105 ASN CA . 7271 1 1179 . 1 1 127 127 ASN CB C 13 38.640 0.3 . 1 . . . . 105 ASN CB . 7271 1 1180 . 1 1 127 127 ASN N N 15 120.335 0.25 . 1 . . . . 105 ASN N . 7271 1 1181 . 1 1 127 127 ASN ND2 N 15 113.031 0.25 . 1 . . . . 105 ASN ND2 . 7271 1 1182 . 1 1 128 128 VAL H H 1 8.879 0.02 . 1 . . . . 106 VAL HN . 7271 1 1183 . 1 1 128 128 VAL HA H 1 4.421 0.02 . 1 . . . . 106 VAL HA . 7271 1 1184 . 1 1 128 128 VAL HB H 1 2.424 0.02 . 1 . . . . 106 VAL HB . 7271 1 1185 . 1 1 128 128 VAL HG11 H 1 1.343 0.02 . 2 . . . . 106 VAL HG1 . 7271 1 1186 . 1 1 128 128 VAL HG12 H 1 1.343 0.02 . 2 . . . . 106 VAL HG1 . 7271 1 1187 . 1 1 128 128 VAL HG13 H 1 1.343 0.02 . 2 . . . . 106 VAL HG1 . 7271 1 1188 . 1 1 128 128 VAL HG21 H 1 1.145 0.02 . 2 . . . . 106 VAL HG2 . 7271 1 1189 . 1 1 128 128 VAL HG22 H 1 1.145 0.02 . 2 . . . . 106 VAL HG2 . 7271 1 1190 . 1 1 128 128 VAL HG23 H 1 1.145 0.02 . 2 . . . . 106 VAL HG2 . 7271 1 1191 . 1 1 128 128 VAL CA C 13 66.564 0.3 . 1 . . . . 106 VAL CA . 7271 1 1192 . 1 1 128 128 VAL CB C 13 30.565 0.3 . 1 . . . . 106 VAL CB . 7271 1 1193 . 1 1 128 128 VAL CG1 C 13 21.046 0.3 . 1 . . . . 106 VAL CG1 . 7271 1 1194 . 1 1 128 128 VAL CG2 C 13 23.878 0.3 . 1 . . . . 106 VAL CG2 . 7271 1 1195 . 1 1 128 128 VAL N N 15 129.001 0.25 . 1 . . . . 106 VAL N . 7271 1 1196 . 1 1 129 129 ILE HA H 1 5.128 0.02 . 1 . . . . 107 ILE HA . 7271 1 1197 . 1 1 129 129 ILE HB H 1 2.154 0.02 . 1 . . . . 107 ILE HB . 7271 1 1198 . 1 1 129 129 ILE HG21 H 1 1.043 0.02 . 1 . . . . 107 ILE HG2 . 7271 1 1199 . 1 1 129 129 ILE HG22 H 1 1.043 0.02 . 1 . . . . 107 ILE HG2 . 7271 1 1200 . 1 1 129 129 ILE HG23 H 1 1.043 0.02 . 1 . . . . 107 ILE HG2 . 7271 1 1201 . 1 1 129 129 ILE HD11 H 1 0.741 0.02 . 1 . . . . 107 ILE HD1 . 7271 1 1202 . 1 1 129 129 ILE HD12 H 1 0.741 0.02 . 1 . . . . 107 ILE HD1 . 7271 1 1203 . 1 1 129 129 ILE HD13 H 1 0.741 0.02 . 1 . . . . 107 ILE HD1 . 7271 1 1204 . 1 1 129 129 ILE C C 13 174.136 0.3 . 1 . . . . 107 ILE C . 7271 1 1205 . 1 1 129 129 ILE CA C 13 61.608 0.3 . 1 . . . . 107 ILE CA . 7271 1 1206 . 1 1 129 129 ILE CB C 13 40.194 0.3 . 1 . . . . 107 ILE CB . 7271 1 1207 . 1 1 129 129 ILE CG1 C 13 25.929 0.3 . 1 . . . . 107 ILE CG1 . 7271 1 1208 . 1 1 129 129 ILE CG2 C 13 17.528 0.3 . 1 . . . . 107 ILE CG2 . 7271 1 1209 . 1 1 129 129 ILE CD1 C 13 14.789 0.3 . 1 . . . . 107 ILE CD1 . 7271 1 1210 . 1 1 130 130 GLY H H 1 8.194 0.02 . 1 . . . . 108 GLY HN . 7271 1 1211 . 1 1 130 130 GLY HA2 H 1 4.574 0.02 . 2 . . . . 108 GLY HA1 . 7271 1 1212 . 1 1 130 130 GLY HA3 H 1 4.117 0.02 . 2 . . . . 108 GLY HA2 . 7271 1 1213 . 1 1 130 130 GLY C C 13 172.037 0.3 . 1 . . . . 108 GLY C . 7271 1 1214 . 1 1 130 130 GLY CA C 13 47.006 0.3 . 1 . . . . 108 GLY CA . 7271 1 1215 . 1 1 130 130 GLY N N 15 108.757 0.25 . 1 . . . . 108 GLY N . 7271 1 1216 . 1 1 131 131 ARG H H 1 8.809 0.02 . 1 . . . . 109 ARG HN . 7271 1 1217 . 1 1 131 131 ARG HA H 1 5.686 0.02 . 1 . . . . 109 ARG HA . 7271 1 1218 . 1 1 131 131 ARG HB2 H 1 2.050 0.02 . 2 . . . . 109 ARG HB1 . 7271 1 1219 . 1 1 131 131 ARG HB3 H 1 1.852 0.02 . 2 . . . . 109 ARG HB2 . 7271 1 1220 . 1 1 131 131 ARG HG2 H 1 2.057 0.02 . 2 . . . . 109 ARG HG1 . 7271 1 1221 . 1 1 131 131 ARG HG3 H 1 2.022 0.02 . 2 . . . . 109 ARG HG2 . 7271 1 1222 . 1 1 131 131 ARG HD2 H 1 3.769 0.02 . 2 . . . . 109 ARG HD1 . 7271 1 1223 . 1 1 131 131 ARG HD3 H 1 3.606 0.02 . 2 . . . . 109 ARG HD2 . 7271 1 1224 . 1 1 131 131 ARG C C 13 175.568 0.3 . 1 . . . . 109 ARG C . 7271 1 1225 . 1 1 131 131 ARG CA C 13 53.158 0.3 . 1 . . . . 109 ARG CA . 7271 1 1226 . 1 1 131 131 ARG CB C 13 34.075 0.3 . 1 . . . . 109 ARG CB . 7271 1 1227 . 1 1 131 131 ARG CG C 13 26.855 0.3 . 1 . . . . 109 ARG CG . 7271 1 1228 . 1 1 131 131 ARG CD C 13 42.293 0.3 . 1 . . . . 109 ARG CD . 7271 1 1229 . 1 1 131 131 ARG N N 15 118.049 0.25 . 1 . . . . 109 ARG N . 7271 1 1230 . 1 1 132 132 ILE H H 1 9.669 0.02 . 1 . . . . 110 ILE HN . 7271 1 1231 . 1 1 132 132 ILE HA H 1 4.356 0.02 . 1 . . . . 110 ILE HA . 7271 1 1232 . 1 1 132 132 ILE HB H 1 1.977 0.02 . 1 . . . . 110 ILE HB . 7271 1 1233 . 1 1 132 132 ILE HG12 H 1 0.891 0.02 . 1 . . . . 110 ILE HG11 . 7271 1 1234 . 1 1 132 132 ILE HG13 H 1 0.891 0.02 . 1 . . . . 110 ILE HG12 . 7271 1 1235 . 1 1 132 132 ILE HG21 H 1 1.069 0.02 . 1 . . . . 110 ILE HG2 . 7271 1 1236 . 1 1 132 132 ILE HG22 H 1 1.069 0.02 . 1 . . . . 110 ILE HG2 . 7271 1 1237 . 1 1 132 132 ILE HG23 H 1 1.069 0.02 . 1 . . . . 110 ILE HG2 . 7271 1 1238 . 1 1 132 132 ILE HD11 H 1 0.991 0.02 . 1 . . . . 110 ILE HD1 . 7271 1 1239 . 1 1 132 132 ILE HD12 H 1 0.991 0.02 . 1 . . . . 110 ILE HD1 . 7271 1 1240 . 1 1 132 132 ILE HD13 H 1 0.991 0.02 . 1 . . . . 110 ILE HD1 . 7271 1 1241 . 1 1 132 132 ILE C C 13 176.880 0.3 . 1 . . . . 110 ILE C . 7271 1 1242 . 1 1 132 132 ILE CA C 13 62.972 0.3 . 1 . . . . 110 ILE CA . 7271 1 1243 . 1 1 132 132 ILE CB C 13 39.023 0.3 . 1 . . . . 110 ILE CB . 7271 1 1244 . 1 1 132 132 ILE CG1 C 13 27.373 0.3 . 1 . . . . 110 ILE CG1 . 7271 1 1245 . 1 1 132 132 ILE CG2 C 13 18.296 0.3 . 1 . . . . 110 ILE CG2 . 7271 1 1246 . 1 1 132 132 ILE CD1 C 13 14.479 0.3 . 1 . . . . 110 ILE CD1 . 7271 1 1247 . 1 1 132 132 ILE N N 15 123.385 0.25 . 1 . . . . 110 ILE N . 7271 1 1248 . 1 1 133 133 VAL H H 1 8.650 0.02 . 1 . . . . 111 VAL HN . 7271 1 1249 . 1 1 133 133 VAL HA H 1 4.653 0.02 . 1 . . . . 111 VAL HA . 7271 1 1250 . 1 1 133 133 VAL HB H 1 2.337 0.02 . 1 . . . . 111 VAL HB . 7271 1 1251 . 1 1 133 133 VAL HG11 H 1 0.905 0.02 . 2 . . . . 111 VAL HG1 . 7271 1 1252 . 1 1 133 133 VAL HG12 H 1 0.905 0.02 . 2 . . . . 111 VAL HG1 . 7271 1 1253 . 1 1 133 133 VAL HG13 H 1 0.905 0.02 . 2 . . . . 111 VAL HG1 . 7271 1 1254 . 1 1 133 133 VAL HG21 H 1 0.706 0.02 . 2 . . . . 111 VAL HG2 . 7271 1 1255 . 1 1 133 133 VAL HG22 H 1 0.706 0.02 . 2 . . . . 111 VAL HG2 . 7271 1 1256 . 1 1 133 133 VAL HG23 H 1 0.706 0.02 . 2 . . . . 111 VAL HG2 . 7271 1 1257 . 1 1 133 133 VAL C C 13 175.568 0.3 . 1 . . . . 111 VAL C . 7271 1 1258 . 1 1 133 133 VAL CA C 13 61.624 0.3 . 1 . . . . 111 VAL CA . 7271 1 1259 . 1 1 133 133 VAL CB C 13 32.671 0.3 . 1 . . . . 111 VAL CB . 7271 1 1260 . 1 1 133 133 VAL CG1 C 13 21.530 0.3 . 1 . . . . 111 VAL CG1 . 7271 1 1261 . 1 1 133 133 VAL CG2 C 13 18.536 0.3 . 1 . . . . 111 VAL CG2 . 7271 1 1262 . 1 1 133 133 VAL N N 15 120.844 0.25 . 1 . . . . 111 VAL N . 7271 1 1263 . 1 1 134 134 ASN H H 1 7.892 0.02 . 1 . . . . 112 ASN HN . 7271 1 1264 . 1 1 134 134 ASN HA H 1 4.914 0.02 . 1 . . . . 112 ASN HA . 7271 1 1265 . 1 1 134 134 ASN HB2 H 1 3.032 0.02 . 2 . . . . 112 ASN HB1 . 7271 1 1266 . 1 1 134 134 ASN HB3 H 1 2.915 0.02 . 2 . . . . 112 ASN HB2 . 7271 1 1267 . 1 1 134 134 ASN HD21 H 1 6.969 0.02 . 2 . . . . 112 ASN HD21 . 7271 1 1268 . 1 1 134 134 ASN HD22 H 1 7.723 0.02 . 2 . . . . 112 ASN HD22 . 7271 1 1269 . 1 1 134 134 ASN CA C 13 53.511 0.3 . 1 . . . . 112 ASN CA . 7271 1 1270 . 1 1 134 134 ASN CB C 13 40.594 0.3 . 1 . . . . 112 ASN CB . 7271 1 1271 . 1 1 134 134 ASN N N 15 118.297 0.25 . 1 . . . . 112 ASN N . 7271 1 1272 . 1 1 134 134 ASN ND2 N 15 113.187 0.25 . 1 . . . . 112 ASN ND2 . 7271 1 1273 . 1 1 138 138 GLY HA2 H 1 3.893 0.02 . 2 . . . . 116 GLY HA1 . 7271 1 1274 . 1 1 138 138 GLY HA3 H 1 3.864 0.02 . 2 . . . . 116 GLY HA2 . 7271 1 1275 . 1 1 138 138 GLY C C 13 175.950 0.3 . 1 . . . . 116 GLY C . 7271 1 1276 . 1 1 138 138 GLY CA C 13 46.020 0.3 . 1 . . . . 116 GLY CA . 7271 1 1277 . 1 1 139 139 LEU H H 1 7.242 0.02 . 1 . . . . 117 LEU HN . 7271 1 1278 . 1 1 139 139 LEU HA H 1 3.342 0.02 . 1 . . . . 117 LEU HA . 7271 1 1279 . 1 1 139 139 LEU HB2 H 1 0.583 0.02 . 2 . . . . 117 LEU HB1 . 7271 1 1280 . 1 1 139 139 LEU HB3 H 1 -0.001 0.02 . 2 . . . . 117 LEU HB2 . 7271 1 1281 . 1 1 139 139 LEU HG H 1 0.786 0.02 . 1 . . . . 117 LEU HG . 7271 1 1282 . 1 1 139 139 LEU HD11 H 1 0.495 0.02 . 2 . . . . 117 LEU HD1 . 7271 1 1283 . 1 1 139 139 LEU HD12 H 1 0.495 0.02 . 2 . . . . 117 LEU HD1 . 7271 1 1284 . 1 1 139 139 LEU HD13 H 1 0.495 0.02 . 2 . . . . 117 LEU HD1 . 7271 1 1285 . 1 1 139 139 LEU HD21 H 1 0.495 0.02 . 2 . . . . 117 LEU HD2 . 7271 1 1286 . 1 1 139 139 LEU HD22 H 1 0.495 0.02 . 2 . . . . 117 LEU HD2 . 7271 1 1287 . 1 1 139 139 LEU HD23 H 1 0.495 0.02 . 2 . . . . 117 LEU HD2 . 7271 1 1288 . 1 1 139 139 LEU C C 13 176.761 0.3 . 1 . . . . 117 LEU C . 7271 1 1289 . 1 1 139 139 LEU CA C 13 56.201 0.3 . 1 . . . . 117 LEU CA . 7271 1 1290 . 1 1 139 139 LEU CB C 13 38.139 0.3 . 1 . . . . 117 LEU CB . 7271 1 1291 . 1 1 139 139 LEU CG C 13 26.546 0.3 . 1 . . . . 117 LEU CG . 7271 1 1292 . 1 1 139 139 LEU CD1 C 13 22.168 0.3 . 1 . . . . 117 LEU CD1 . 7271 1 1293 . 1 1 139 139 LEU CD2 C 13 22.168 0.3 . 1 . . . . 117 LEU CD2 . 7271 1 1294 . 1 1 139 139 LEU N N 15 119.709 0.25 . 1 . . . . 117 LEU N . 7271 1 1295 . 1 1 140 140 LYS H H 1 6.943 0.02 . 1 . . . . 118 LYS HN . 7271 1 1296 . 1 1 140 140 LYS HA H 1 3.938 0.02 . 1 . . . . 118 LYS HA . 7271 1 1297 . 1 1 140 140 LYS HB2 H 1 2.032 0.02 . 2 . . . . 118 LYS HB1 . 7271 1 1298 . 1 1 140 140 LYS HB3 H 1 1.819 0.02 . 2 . . . . 118 LYS HB2 . 7271 1 1299 . 1 1 140 140 LYS HG2 H 1 1.577 0.02 . 1 . . . . 118 LYS HG1 . 7271 1 1300 . 1 1 140 140 LYS HG3 H 1 1.577 0.02 . 1 . . . . 118 LYS HG2 . 7271 1 1301 . 1 1 140 140 LYS HD2 H 1 1.826 0.02 . 1 . . . . 118 LYS HD1 . 7271 1 1302 . 1 1 140 140 LYS HD3 H 1 1.826 0.02 . 1 . . . . 118 LYS HD2 . 7271 1 1303 . 1 1 140 140 LYS HE2 H 1 3.093 0.02 . 1 . . . . 118 LYS HE1 . 7271 1 1304 . 1 1 140 140 LYS HE3 H 1 3.093 0.02 . 1 . . . . 118 LYS HE2 . 7271 1 1305 . 1 1 140 140 LYS C C 13 178.574 0.3 . 1 . . . . 118 LYS C . 7271 1 1306 . 1 1 140 140 LYS CA C 13 58.995 0.3 . 1 . . . . 118 LYS CA . 7271 1 1307 . 1 1 140 140 LYS CB C 13 32.062 0.3 . 1 . . . . 118 LYS CB . 7271 1 1308 . 1 1 140 140 LYS CG C 13 26.135 0.3 . 1 . . . . 118 LYS CG . 7271 1 1309 . 1 1 140 140 LYS CD C 13 29.313 0.3 . 1 . . . . 118 LYS CD . 7271 1 1310 . 1 1 140 140 LYS CE C 13 42.293 0.3 . 1 . . . . 118 LYS CE . 7271 1 1311 . 1 1 140 140 LYS N N 15 112.942 0.25 . 1 . . . . 118 LYS N . 7271 1 1312 . 1 1 141 141 GLY H H 1 7.508 0.02 . 1 . . . . 119 GLY HN . 7271 1 1313 . 1 1 141 141 GLY HA2 H 1 4.217 0.02 . 2 . . . . 119 GLY HA1 . 7271 1 1314 . 1 1 141 141 GLY HA3 H 1 3.692 0.02 . 2 . . . . 119 GLY HA2 . 7271 1 1315 . 1 1 141 141 GLY C C 13 174.041 0.3 . 1 . . . . 119 GLY C . 7271 1 1316 . 1 1 141 141 GLY CA C 13 44.900 0.3 . 1 . . . . 119 GLY CA . 7271 1 1317 . 1 1 141 141 GLY N N 15 106.569 0.25 . 1 . . . . 119 GLY N . 7271 1 1318 . 1 1 142 142 VAL H H 1 7.057 0.02 . 1 . . . . 120 VAL HN . 7271 1 1319 . 1 1 142 142 VAL HA H 1 3.660 0.02 . 1 . . . . 120 VAL HA . 7271 1 1320 . 1 1 142 142 VAL HB H 1 1.627 0.02 . 1 . . . . 120 VAL HB . 7271 1 1321 . 1 1 142 142 VAL HG11 H 1 0.295 0.02 . 2 . . . . 120 VAL HG1 . 7271 1 1322 . 1 1 142 142 VAL HG12 H 1 0.295 0.02 . 2 . . . . 120 VAL HG1 . 7271 1 1323 . 1 1 142 142 VAL HG13 H 1 0.295 0.02 . 2 . . . . 120 VAL HG1 . 7271 1 1324 . 1 1 142 142 VAL HG21 H 1 0.248 0.02 . 2 . . . . 120 VAL HG2 . 7271 1 1325 . 1 1 142 142 VAL HG22 H 1 0.248 0.02 . 2 . . . . 120 VAL HG2 . 7271 1 1326 . 1 1 142 142 VAL HG23 H 1 0.248 0.02 . 2 . . . . 120 VAL HG2 . 7271 1 1327 . 1 1 142 142 VAL C C 13 175.162 0.3 . 1 . . . . 120 VAL C . 7271 1 1328 . 1 1 142 142 VAL CA C 13 63.324 0.3 . 1 . . . . 120 VAL CA . 7271 1 1329 . 1 1 142 142 VAL CB C 13 31.353 0.3 . 1 . . . . 120 VAL CB . 7271 1 1330 . 1 1 142 142 VAL CG1 C 13 22.457 0.3 . 1 . . . . 120 VAL CG1 . 7271 1 1331 . 1 1 142 142 VAL CG2 C 13 19.484 0.3 . 1 . . . . 120 VAL CG2 . 7271 1 1332 . 1 1 142 142 VAL N N 15 121.912 0.25 . 1 . . . . 120 VAL N . 7271 1 1333 . 1 1 143 143 ALA H H 1 8.561 0.02 . 1 . . . . 121 ALA HN . 7271 1 1334 . 1 1 143 143 ALA HA H 1 4.482 0.02 . 1 . . . . 121 ALA HA . 7271 1 1335 . 1 1 143 143 ALA HB1 H 1 1.497 0.02 . 1 . . . . 121 ALA HB . 7271 1 1336 . 1 1 143 143 ALA HB2 H 1 1.497 0.02 . 1 . . . . 121 ALA HB . 7271 1 1337 . 1 1 143 143 ALA HB3 H 1 1.497 0.02 . 1 . . . . 121 ALA HB . 7271 1 1338 . 1 1 143 143 ALA C C 13 177.119 0.3 . 1 . . . . 121 ALA C . 7271 1 1339 . 1 1 143 143 ALA CA C 13 50.425 0.3 . 1 . . . . 121 ALA CA . 7271 1 1340 . 1 1 143 143 ALA CB C 13 20.703 0.3 . 1 . . . . 121 ALA CB . 7271 1 1341 . 1 1 143 143 ALA N N 15 132.450 0.25 . 1 . . . . 121 ALA N . 7271 1 1342 . 1 1 144 144 ASP H H 1 8.339 0.02 . 1 . . . . 122 ASP HN . 7271 1 1343 . 1 1 144 144 ASP HA H 1 4.180 0.02 . 1 . . . . 122 ASP HA . 7271 1 1344 . 1 1 144 144 ASP HB2 H 1 2.678 0.02 . 2 . . . . 122 ASP HB1 . 7271 1 1345 . 1 1 144 144 ASP HB3 H 1 2.629 0.02 . 2 . . . . 122 ASP HB2 . 7271 1 1346 . 1 1 144 144 ASP C C 13 177.763 0.3 . 1 . . . . 122 ASP C . 7271 1 1347 . 1 1 144 144 ASP CA C 13 56.544 0.3 . 1 . . . . 122 ASP CA . 7271 1 1348 . 1 1 144 144 ASP CB C 13 42.434 0.3 . 1 . . . . 122 ASP CB . 7271 1 1349 . 1 1 144 144 ASP N N 15 118.527 0.25 . 1 . . . . 122 ASP N . 7271 1 1350 . 1 1 145 145 GLY H H 1 9.059 0.02 . 1 . . . . 123 GLY HN . 7271 1 1351 . 1 1 145 145 GLY HA2 H 1 4.422 0.02 . 2 . . . . 123 GLY HA1 . 7271 1 1352 . 1 1 145 145 GLY HA3 H 1 3.617 0.02 . 2 . . . . 123 GLY HA2 . 7271 1 1353 . 1 1 145 145 GLY C C 13 174.971 0.3 . 1 . . . . 123 GLY C . 7271 1 1354 . 1 1 145 145 GLY CA C 13 45.184 0.3 . 1 . . . . 123 GLY CA . 7271 1 1355 . 1 1 145 145 GLY N N 15 113.219 0.25 . 1 . . . . 123 GLY N . 7271 1 1356 . 1 1 146 146 GLU H H 1 7.527 0.02 . 1 . . . . 124 GLU HN . 7271 1 1357 . 1 1 146 146 GLU HA H 1 4.255 0.02 . 1 . . . . 124 GLU HA . 7271 1 1358 . 1 1 146 146 GLU HB2 H 1 2.514 0.02 . 1 . . . . 124 GLU HB1 . 7271 1 1359 . 1 1 146 146 GLU HB3 H 1 1.905 0.02 . 1 . . . . 124 GLU HB2 . 7271 1 1360 . 1 1 146 146 GLU HG2 H 1 3.141 0.02 . 1 . . . . 124 GLU HG1 . 7271 1 1361 . 1 1 146 146 GLU HG3 H 1 2.252 0.02 . 1 . . . . 124 GLU HG2 . 7271 1 1362 . 1 1 146 146 GLU C C 13 176.546 0.3 . 1 . . . . 124 GLU C . 7271 1 1363 . 1 1 146 146 GLU CA C 13 58.382 0.3 . 1 . . . . 124 GLU CA . 7271 1 1364 . 1 1 146 146 GLU CB C 13 31.235 0.3 . 1 . . . . 124 GLU CB . 7271 1 1365 . 1 1 146 146 GLU CG C 13 37.838 0.3 . 1 . . . . 124 GLU CG . 7271 1 1366 . 1 1 146 146 GLU N N 15 119.927 0.25 . 1 . . . . 124 GLU N . 7271 1 1367 . 1 1 147 147 SER H H 1 9.489 0.02 . 1 . . . . 125 SER HN . 7271 1 1368 . 1 1 147 147 SER HA H 1 4.564 0.02 . 1 . . . . 125 SER HA . 7271 1 1369 . 1 1 147 147 SER HB2 H 1 3.981 0.02 . 1 . . . . 125 SER HB1 . 7271 1 1370 . 1 1 147 147 SER HB3 H 1 3.981 0.02 . 1 . . . . 125 SER HB2 . 7271 1 1371 . 1 1 147 147 SER C C 13 172.514 0.3 . 1 . . . . 125 SER C . 7271 1 1372 . 1 1 147 147 SER CA C 13 59.761 0.3 . 1 . . . . 125 SER CA . 7271 1 1373 . 1 1 147 147 SER CB C 13 64.084 0.3 . 1 . . . . 125 SER CB . 7271 1 1374 . 1 1 147 147 SER N N 15 118.552 0.25 . 1 . . . . 125 SER N . 7271 1 1375 . 1 1 148 148 VAL H H 1 7.802 0.02 . 1 . . . . 126 VAL HN . 7271 1 1376 . 1 1 148 148 VAL HA H 1 4.724 0.02 . 1 . . . . 126 VAL HA . 7271 1 1377 . 1 1 148 148 VAL HB H 1 1.155 0.02 . 1 . . . . 126 VAL HB . 7271 1 1378 . 1 1 148 148 VAL HG11 H 1 -0.150 0.02 . 2 . . . . 126 VAL HG1 . 7271 1 1379 . 1 1 148 148 VAL HG12 H 1 -0.150 0.02 . 2 . . . . 126 VAL HG1 . 7271 1 1380 . 1 1 148 148 VAL HG13 H 1 -0.150 0.02 . 2 . . . . 126 VAL HG1 . 7271 1 1381 . 1 1 148 148 VAL HG21 H 1 -0.414 0.02 . 2 . . . . 126 VAL HG2 . 7271 1 1382 . 1 1 148 148 VAL HG22 H 1 -0.414 0.02 . 2 . . . . 126 VAL HG2 . 7271 1 1383 . 1 1 148 148 VAL HG23 H 1 -0.414 0.02 . 2 . . . . 126 VAL HG2 . 7271 1 1384 . 1 1 148 148 VAL C C 13 174.041 0.3 . 1 . . . . 126 VAL C . 7271 1 1385 . 1 1 148 148 VAL CA C 13 58.872 0.3 . 1 . . . . 126 VAL CA . 7271 1 1386 . 1 1 148 148 VAL CB C 13 34.955 0.3 . 1 . . . . 126 VAL CB . 7271 1 1387 . 1 1 148 148 VAL CG1 C 13 22.116 0.3 . 1 . . . . 126 VAL CG1 . 7271 1 1388 . 1 1 148 148 VAL CG2 C 13 18.538 0.3 . 1 . . . . 126 VAL CG2 . 7271 1 1389 . 1 1 148 148 VAL N N 15 118.994 0.25 . 1 . . . . 126 VAL N . 7271 1 1390 . 1 1 149 149 VAL H H 1 8.173 0.02 . 1 . . . . 127 VAL HN . 7271 1 1391 . 1 1 149 149 VAL HA H 1 5.012 0.02 . 1 . . . . 127 VAL HA . 7271 1 1392 . 1 1 149 149 VAL HB H 1 1.750 0.02 . 1 . . . . 127 VAL HB . 7271 1 1393 . 1 1 149 149 VAL HG11 H 1 0.892 0.02 . 2 . . . . 127 VAL HG1 . 7271 1 1394 . 1 1 149 149 VAL HG12 H 1 0.892 0.02 . 2 . . . . 127 VAL HG1 . 7271 1 1395 . 1 1 149 149 VAL HG13 H 1 0.892 0.02 . 2 . . . . 127 VAL HG1 . 7271 1 1396 . 1 1 149 149 VAL HG21 H 1 0.832 0.02 . 2 . . . . 127 VAL HG2 . 7271 1 1397 . 1 1 149 149 VAL HG22 H 1 0.832 0.02 . 2 . . . . 127 VAL HG2 . 7271 1 1398 . 1 1 149 149 VAL HG23 H 1 0.832 0.02 . 2 . . . . 127 VAL HG2 . 7271 1 1399 . 1 1 149 149 VAL C C 13 174.160 0.3 . 1 . . . . 127 VAL C . 7271 1 1400 . 1 1 149 149 VAL CA C 13 60.348 0.3 . 1 . . . . 127 VAL CA . 7271 1 1401 . 1 1 149 149 VAL CB C 13 35.347 0.3 . 1 . . . . 127 VAL CB . 7271 1 1402 . 1 1 149 149 VAL CG1 C 13 20.987 0.3 . 1 . . . . 127 VAL CG1 . 7271 1 1403 . 1 1 149 149 VAL CG2 C 13 20.937 0.3 . 1 . . . . 127 VAL CG2 . 7271 1 1404 . 1 1 149 149 VAL N N 15 126.690 0.25 . 1 . . . . 127 VAL N . 7271 1 1405 . 1 1 150 150 VAL H H 1 9.194 0.02 . 1 . . . . 128 VAL HN . 7271 1 1406 . 1 1 150 150 VAL HA H 1 4.855 0.02 . 1 . . . . 128 VAL HA . 7271 1 1407 . 1 1 150 150 VAL HB H 1 2.082 0.02 . 1 . . . . 128 VAL HB . 7271 1 1408 . 1 1 150 150 VAL HG11 H 1 0.842 0.02 . 2 . . . . 128 VAL HG1 . 7271 1 1409 . 1 1 150 150 VAL HG12 H 1 0.842 0.02 . 2 . . . . 128 VAL HG1 . 7271 1 1410 . 1 1 150 150 VAL HG13 H 1 0.842 0.02 . 2 . . . . 128 VAL HG1 . 7271 1 1411 . 1 1 150 150 VAL HG21 H 1 0.842 0.02 . 2 . . . . 128 VAL HG2 . 7271 1 1412 . 1 1 150 150 VAL HG22 H 1 0.842 0.02 . 2 . . . . 128 VAL HG2 . 7271 1 1413 . 1 1 150 150 VAL HG23 H 1 0.842 0.02 . 2 . . . . 128 VAL HG2 . 7271 1 1414 . 1 1 150 150 VAL C C 13 174.518 0.3 . 1 . . . . 128 VAL C . 7271 1 1415 . 1 1 150 150 VAL CA C 13 60.584 0.3 . 1 . . . . 128 VAL CA . 7271 1 1416 . 1 1 150 150 VAL CB C 13 33.391 0.3 . 1 . . . . 128 VAL CB . 7271 1 1417 . 1 1 150 150 VAL CG1 C 13 22.434 0.3 . 1 . . . . 128 VAL CG1 . 7271 1 1418 . 1 1 150 150 VAL CG2 C 13 22.434 0.3 . 1 . . . . 128 VAL CG2 . 7271 1 1419 . 1 1 150 150 VAL N N 15 126.945 0.25 . 1 . . . . 128 VAL N . 7271 1 1420 . 1 1 151 151 GLU H H 1 8.787 0.02 . 1 . . . . 129 GLU HN . 7271 1 1421 . 1 1 151 151 GLU HA H 1 5.016 0.02 . 1 . . . . 129 GLU HA . 7271 1 1422 . 1 1 151 151 GLU HB2 H 1 2.076 0.02 . 2 . . . . 129 GLU HB1 . 7271 1 1423 . 1 1 151 151 GLU HB3 H 1 1.986 0.02 . 2 . . . . 129 GLU HB2 . 7271 1 1424 . 1 1 151 151 GLU HG2 H 1 2.232 0.02 . 2 . . . . 129 GLU HG1 . 7271 1 1425 . 1 1 151 151 GLU HG3 H 1 2.145 0.02 . 2 . . . . 129 GLU HG2 . 7271 1 1426 . 1 1 151 151 GLU C C 13 173.611 0.3 . 1 . . . . 129 GLU C . 7271 1 1427 . 1 1 151 151 GLU CA C 13 53.392 0.3 . 1 . . . . 129 GLU CA . 7271 1 1428 . 1 1 151 151 GLU CB C 13 34.278 0.3 . 1 . . . . 129 GLU CB . 7271 1 1429 . 1 1 151 151 GLU CG C 13 35.412 0.3 . 1 . . . . 129 GLU CG . 7271 1 1430 . 1 1 151 151 GLU N N 15 122.256 0.25 . 1 . . . . 129 GLU N . 7271 1 1431 . 1 1 152 152 ARG H H 1 9.282 0.02 . 1 . . . . 130 ARG HN . 7271 1 1432 . 1 1 152 152 ARG HA H 1 4.271 0.02 . 1 . . . . 130 ARG HA . 7271 1 1433 . 1 1 152 152 ARG HB2 H 1 1.943 0.02 . 1 . . . . 130 ARG HB1 . 7271 1 1434 . 1 1 152 152 ARG HB3 H 1 1.943 0.02 . 1 . . . . 130 ARG HB2 . 7271 1 1435 . 1 1 152 152 ARG HG2 H 1 1.800 0.02 . 2 . . . . 130 ARG HG1 . 7271 1 1436 . 1 1 152 152 ARG HG3 H 1 1.623 0.02 . 2 . . . . 130 ARG HG2 . 7271 1 1437 . 1 1 152 152 ARG HD2 H 1 3.219 0.02 . 1 . . . . 130 ARG HD1 . 7271 1 1438 . 1 1 152 152 ARG HD3 H 1 3.219 0.02 . 1 . . . . 130 ARG HD2 . 7271 1 1439 . 1 1 152 152 ARG C C 13 176.641 0.3 . 1 . . . . 130 ARG C . 7271 1 1440 . 1 1 152 152 ARG CA C 13 57.729 0.3 . 1 . . . . 130 ARG CA . 7271 1 1441 . 1 1 152 152 ARG CB C 13 30.231 0.3 . 1 . . . . 130 ARG CB . 7271 1 1442 . 1 1 152 152 ARG CG C 13 28.744 0.3 . 1 . . . . 130 ARG CG . 7271 1 1443 . 1 1 152 152 ARG CD C 13 43.296 0.3 . 1 . . . . 130 ARG CD . 7271 1 1444 . 1 1 152 152 ARG N N 15 122.105 0.25 . 1 . . . . 130 ARG N . 7271 1 1445 . 1 1 153 153 ALA H H 1 8.399 0.02 . 1 . . . . 131 ALA HN . 7271 1 1446 . 1 1 153 153 ALA HA H 1 4.341 0.02 . 1 . . . . 131 ALA HA . 7271 1 1447 . 1 1 153 153 ALA HB1 H 1 1.251 0.02 . 1 . . . . 131 ALA HB . 7271 1 1448 . 1 1 153 153 ALA HB2 H 1 1.251 0.02 . 1 . . . . 131 ALA HB . 7271 1 1449 . 1 1 153 153 ALA HB3 H 1 1.251 0.02 . 1 . . . . 131 ALA HB . 7271 1 1450 . 1 1 153 153 ALA CA C 13 52.440 0.3 . 1 . . . . 131 ALA CA . 7271 1 1451 . 1 1 153 153 ALA CB C 13 19.206 0.3 . 1 . . . . 131 ALA CB . 7271 1 1452 . 1 1 153 153 ALA N N 15 126.448 0.25 . 1 . . . . 131 ALA N . 7271 1 stop_ save_