data_25770 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25770 _Entry.Title ; N-terminal domain of the telomerase catalytic subunit Est2 from Ogataea polymorpha ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-08-26 _Entry.Accession_date 2015-08-26 _Entry.Last_release_date 2016-10-28 _Entry.Original_release_date 2016-10-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Vladimir Polshakov . . . . 25770 2 Sergey Efimov . . . . 25770 3 Olga Petrova . . . . 25770 4 Maria Zvereva . . . . 25770 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25770 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 521 25770 '15N chemical shifts' 138 25770 '1H chemical shifts' 836 25770 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-10-28 . original BMRB . 25770 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25770 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26721464 _Citation.Full_citation . _Citation.Title ; NMR assignments of the N-terminal domain of Ogataea polymorpha telomerase reverse transcriptase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 10 _Citation.Journal_issue 1 _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 187 _Citation.Year 2016 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Vladimir Polshakov . . . . 25770 1 2 Olga Petrova . . . . 25770 1 3 Yulia Parfenova . . . . 25770 1 4 Sergey Efimov . . . . 25770 1 5 Vladimir Klochkov . . . . 25770 1 6 Maria Zvereva . . . . 25770 1 7 Olga Dontsova . . . . 25770 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Protein structure and dynamics' 25770 1 Telomerase 25770 1 'Telomerase reverse transcriptase' 25770 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25770 _Assembly.ID 1 _Assembly.Name N_Est2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 TEN 1 $TEN A . yes native no no . . . 25770 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TEN _Entity.Sf_category entity _Entity.Sf_framecode TEN _Entity.Entry_ID 25770 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TEN _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 ; MRFDQYVDENKSSDDFEPLI HDLFETRWHGTGREIWIERV KDRKIPSTLVKPNYSHEELI DMLIGYLADNRYENALINGL VTGDDLEIANSYGFKGRNAV TNLLKSPEFRLVHTIIGTET FLDLLINYSARMGNVYLWGE LNESNYKTQCKSSENLYFQ ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Telomerase N-terminal domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID . yes GB AGC31420.1 . 'telomerase reverse transcriptase [Ogataea polymorpha]' . . . . . . . . . . . . . . 25770 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Telomerase reverse transcriptase' 25770 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 1 MET . 25770 1 2 2 ARG . 25770 1 3 3 PHE . 25770 1 4 4 ASP . 25770 1 5 5 GLN . 25770 1 6 6 TYR . 25770 1 7 7 VAL . 25770 1 8 8 ASP . 25770 1 9 9 GLU . 25770 1 10 10 ASN . 25770 1 11 11 LYS . 25770 1 12 12 SER . 25770 1 13 13 SER . 25770 1 14 14 ASP . 25770 1 15 15 ASP . 25770 1 16 16 PHE . 25770 1 17 17 GLU . 25770 1 18 18 PRO . 25770 1 19 19 LEU . 25770 1 20 20 ILE . 25770 1 21 21 HIS . 25770 1 22 22 ASP . 25770 1 23 23 LEU . 25770 1 24 24 PHE . 25770 1 25 25 GLU . 25770 1 26 26 THR . 25770 1 27 27 ARG . 25770 1 28 28 TRP . 25770 1 29 29 HIS . 25770 1 30 30 GLY . 25770 1 31 31 THR . 25770 1 32 32 GLY . 25770 1 33 33 ARG . 25770 1 34 34 GLU . 25770 1 35 35 ILE . 25770 1 36 36 TRP . 25770 1 37 37 ILE . 25770 1 38 38 GLU . 25770 1 39 39 ARG . 25770 1 40 40 VAL . 25770 1 41 41 LYS . 25770 1 42 42 ASP . 25770 1 43 43 ARG . 25770 1 44 44 LYS . 25770 1 45 45 ILE . 25770 1 46 46 PRO . 25770 1 47 47 SER . 25770 1 48 48 THR . 25770 1 49 49 LEU . 25770 1 50 50 VAL . 25770 1 51 51 LYS . 25770 1 52 52 PRO . 25770 1 53 53 ASN . 25770 1 54 54 TYR . 25770 1 55 55 SER . 25770 1 56 56 HIS . 25770 1 57 57 GLU . 25770 1 58 58 GLU . 25770 1 59 59 LEU . 25770 1 60 60 ILE . 25770 1 61 61 ASP . 25770 1 62 62 MET . 25770 1 63 63 LEU . 25770 1 64 64 ILE . 25770 1 65 65 GLY . 25770 1 66 66 TYR . 25770 1 67 67 LEU . 25770 1 68 68 ALA . 25770 1 69 69 ASP . 25770 1 70 70 ASN . 25770 1 71 71 ARG . 25770 1 72 72 TYR . 25770 1 73 73 GLU . 25770 1 74 74 ASN . 25770 1 75 75 ALA . 25770 1 76 76 LEU . 25770 1 77 77 ILE . 25770 1 78 78 ASN . 25770 1 79 79 GLY . 25770 1 80 80 LEU . 25770 1 81 81 VAL . 25770 1 82 82 THR . 25770 1 83 83 GLY . 25770 1 84 84 ASP . 25770 1 85 85 ASP . 25770 1 86 86 LEU . 25770 1 87 87 GLU . 25770 1 88 88 ILE . 25770 1 89 89 ALA . 25770 1 90 90 ASN . 25770 1 91 91 SER . 25770 1 92 92 TYR . 25770 1 93 93 GLY . 25770 1 94 94 PHE . 25770 1 95 95 LYS . 25770 1 96 96 GLY . 25770 1 97 97 ARG . 25770 1 98 98 ASN . 25770 1 99 99 ALA . 25770 1 100 100 VAL . 25770 1 101 101 THR . 25770 1 102 102 ASN . 25770 1 103 103 LEU . 25770 1 104 104 LEU . 25770 1 105 105 LYS . 25770 1 106 106 SER . 25770 1 107 107 PRO . 25770 1 108 108 GLU . 25770 1 109 109 PHE . 25770 1 110 110 ARG . 25770 1 111 111 LEU . 25770 1 112 112 VAL . 25770 1 113 113 HIS . 25770 1 114 114 THR . 25770 1 115 115 ILE . 25770 1 116 116 ILE . 25770 1 117 117 GLY . 25770 1 118 118 THR . 25770 1 119 119 GLU . 25770 1 120 120 THR . 25770 1 121 121 PHE . 25770 1 122 122 LEU . 25770 1 123 123 ASP . 25770 1 124 124 LEU . 25770 1 125 125 LEU . 25770 1 126 126 ILE . 25770 1 127 127 ASN . 25770 1 128 128 TYR . 25770 1 129 129 SER . 25770 1 130 130 ALA . 25770 1 131 131 ARG . 25770 1 132 132 MET . 25770 1 133 133 GLY . 25770 1 134 134 ASN . 25770 1 135 135 VAL . 25770 1 136 136 TYR . 25770 1 137 137 LEU . 25770 1 138 138 TRP . 25770 1 139 139 GLY . 25770 1 140 140 GLU . 25770 1 141 141 LEU . 25770 1 142 142 ASN . 25770 1 143 143 GLU . 25770 1 144 144 SER . 25770 1 145 145 ASN . 25770 1 146 146 TYR . 25770 1 147 147 LYS . 25770 1 148 148 THR . 25770 1 149 149 GLN . 25770 1 150 150 CYS . 25770 1 151 151 LYS . 25770 1 152 152 SER . 25770 1 153 153 SER . 25770 1 154 154 GLU . 25770 1 155 155 ASN . 25770 1 156 156 LEU . 25770 1 157 157 TYR . 25770 1 158 158 PHE . 25770 1 159 159 GLN . 25770 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 25770 1 . ARG 2 2 25770 1 . PHE 3 3 25770 1 . ASP 4 4 25770 1 . GLN 5 5 25770 1 . TYR 6 6 25770 1 . VAL 7 7 25770 1 . ASP 8 8 25770 1 . GLU 9 9 25770 1 . ASN 10 10 25770 1 . LYS 11 11 25770 1 . SER 12 12 25770 1 . SER 13 13 25770 1 . ASP 14 14 25770 1 . ASP 15 15 25770 1 . PHE 16 16 25770 1 . GLU 17 17 25770 1 . PRO 18 18 25770 1 . LEU 19 19 25770 1 . ILE 20 20 25770 1 . HIS 21 21 25770 1 . ASP 22 22 25770 1 . LEU 23 23 25770 1 . PHE 24 24 25770 1 . GLU 25 25 25770 1 . THR 26 26 25770 1 . ARG 27 27 25770 1 . TRP 28 28 25770 1 . HIS 29 29 25770 1 . GLY 30 30 25770 1 . THR 31 31 25770 1 . GLY 32 32 25770 1 . ARG 33 33 25770 1 . GLU 34 34 25770 1 . ILE 35 35 25770 1 . TRP 36 36 25770 1 . ILE 37 37 25770 1 . GLU 38 38 25770 1 . ARG 39 39 25770 1 . VAL 40 40 25770 1 . LYS 41 41 25770 1 . ASP 42 42 25770 1 . ARG 43 43 25770 1 . LYS 44 44 25770 1 . ILE 45 45 25770 1 . PRO 46 46 25770 1 . SER 47 47 25770 1 . THR 48 48 25770 1 . LEU 49 49 25770 1 . VAL 50 50 25770 1 . LYS 51 51 25770 1 . PRO 52 52 25770 1 . ASN 53 53 25770 1 . TYR 54 54 25770 1 . SER 55 55 25770 1 . HIS 56 56 25770 1 . GLU 57 57 25770 1 . GLU 58 58 25770 1 . LEU 59 59 25770 1 . ILE 60 60 25770 1 . ASP 61 61 25770 1 . MET 62 62 25770 1 . LEU 63 63 25770 1 . ILE 64 64 25770 1 . GLY 65 65 25770 1 . TYR 66 66 25770 1 . LEU 67 67 25770 1 . ALA 68 68 25770 1 . ASP 69 69 25770 1 . ASN 70 70 25770 1 . ARG 71 71 25770 1 . TYR 72 72 25770 1 . GLU 73 73 25770 1 . ASN 74 74 25770 1 . ALA 75 75 25770 1 . LEU 76 76 25770 1 . ILE 77 77 25770 1 . ASN 78 78 25770 1 . GLY 79 79 25770 1 . LEU 80 80 25770 1 . VAL 81 81 25770 1 . THR 82 82 25770 1 . GLY 83 83 25770 1 . ASP 84 84 25770 1 . ASP 85 85 25770 1 . LEU 86 86 25770 1 . GLU 87 87 25770 1 . ILE 88 88 25770 1 . ALA 89 89 25770 1 . ASN 90 90 25770 1 . SER 91 91 25770 1 . TYR 92 92 25770 1 . GLY 93 93 25770 1 . PHE 94 94 25770 1 . LYS 95 95 25770 1 . GLY 96 96 25770 1 . ARG 97 97 25770 1 . ASN 98 98 25770 1 . ALA 99 99 25770 1 . VAL 100 100 25770 1 . THR 101 101 25770 1 . ASN 102 102 25770 1 . LEU 103 103 25770 1 . LEU 104 104 25770 1 . LYS 105 105 25770 1 . SER 106 106 25770 1 . PRO 107 107 25770 1 . GLU 108 108 25770 1 . PHE 109 109 25770 1 . ARG 110 110 25770 1 . LEU 111 111 25770 1 . VAL 112 112 25770 1 . HIS 113 113 25770 1 . THR 114 114 25770 1 . ILE 115 115 25770 1 . ILE 116 116 25770 1 . GLY 117 117 25770 1 . THR 118 118 25770 1 . GLU 119 119 25770 1 . THR 120 120 25770 1 . PHE 121 121 25770 1 . LEU 122 122 25770 1 . ASP 123 123 25770 1 . LEU 124 124 25770 1 . LEU 125 125 25770 1 . ILE 126 126 25770 1 . ASN 127 127 25770 1 . TYR 128 128 25770 1 . SER 129 129 25770 1 . ALA 130 130 25770 1 . ARG 131 131 25770 1 . MET 132 132 25770 1 . GLY 133 133 25770 1 . ASN 134 134 25770 1 . VAL 135 135 25770 1 . TYR 136 136 25770 1 . LEU 137 137 25770 1 . TRP 138 138 25770 1 . GLY 139 139 25770 1 . GLU 140 140 25770 1 . LEU 141 141 25770 1 . ASN 142 142 25770 1 . GLU 143 143 25770 1 . SER 144 144 25770 1 . ASN 145 145 25770 1 . TYR 146 146 25770 1 . LYS 147 147 25770 1 . THR 148 148 25770 1 . GLN 149 149 25770 1 . CYS 150 150 25770 1 . LYS 151 151 25770 1 . SER 152 152 25770 1 . SER 153 153 25770 1 . GLU 154 154 25770 1 . ASN 155 155 25770 1 . LEU 156 156 25770 1 . TYR 157 157 25770 1 . PHE 158 158 25770 1 . GLN 159 159 25770 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 25770 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $TEN . 460523 organism . 'Ogataea polymorpha' 'Ogataea polymorpha' . . Eukaryota Fungi Ogataea polymorpha DL1 . . . . . . . . . . . 'N-terminal domain of telomerase reverse transcriptase from Ogataea (Hansenula) polymorpha' 25770 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 25770 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $TEN . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli BL21DE3 . . . . . pET30aTEV . . . 25770 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25770 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TEN '[U-99% 13C; U-99% 15N]' . . 1 $TEN . protein 0.5 . . mM . . . . 25770 1 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25770 1 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25770 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25770 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25770 1 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25770 1 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25770 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 25770 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 2 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TEN '[U-99% 15N]' . . 1 $TEN . protein 0.8 . . mM . . . . 25770 2 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25770 2 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25770 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25770 2 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25770 2 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25770 2 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25770 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 25770 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TEN '[U-99% 13C; U-99% 15N]' . . 1 $TEN . protein 0.5 . . mM . . . . 25770 3 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25770 3 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25770 3 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25770 3 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25770 3 6 D2O [U-2H] . . . . . solvent 100 . . % . . . . 25770 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 25770 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 4 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TEN 'natural abundance' . . 1 $TEN . protein 1.0 . . mM . . . . 25770 4 2 'sodium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 25770 4 3 'sodium chloride' 'natural abundance' . . . . . salt 50 . . mM . . . . 25770 4 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 25770 4 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25770 4 6 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 25770 4 7 D2O [U-2H] . . . . . solvent 10 . . % . . . . 25770 4 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25770 _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 'ionic strength' 0.05 . M 25770 1 pH 7 . pH 25770 1 pressure 1 . atm 25770 1 temperature 303 . K 25770 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25770 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25770 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25770 1 processing 25770 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25770 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25770 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25770 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 25770 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 25770 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25770 3 'data analysis' 25770 3 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 25770 _Software.ID 4 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 25770 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25770 4 stop_ save_ save_NMRest _Software.Sf_category software _Software.Sf_framecode NMRest _Software.Entry_ID 25770 _Software.ID 5 _Software.Name NMRest _Software.Version . _Software.Details 'Program for analysis of NMR data of biomolecules' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Vladimir Polshakov' 'Center for Magnetic Tomography & Spectroscopy, Moscow States University' vpolsha@gmail.com 25770 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25770 5 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 25770 _Software.ID 6 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 25770 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25770 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 25770 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25770 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25770 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 700 'Cryo quadro resonance (1H, 13C, 15N, 31P) probe' . . 25770 1 2 spectrometer_2 Bruker Avance . 600 'Triple resonance (1H, 13C, 15N) probe' . . 25770 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 25770 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 5 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 7 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 11 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 12 '3D HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 13 '3D HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 14 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 17 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25770 1 18 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25770 1 19 '2D DQF-COSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25770 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25770 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25770 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25770 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25770 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25770 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.08 _Assigned_chem_shift_list.Chem_shift_15N_err 0.06 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 25770 1 2 '2D 1H-13C HSQC aliphatic' 3 $sample_3 isotropic 25770 1 3 '2D 1H-13C HSQC aromatic' 3 $sample_3 isotropic 25770 1 4 '3D HNCO' 1 $sample_1 isotropic 25770 1 5 '3D HCACO' 1 $sample_1 isotropic 25770 1 6 '3D HNCA' 1 $sample_1 isotropic 25770 1 7 '3D HN(CO)CA' 1 $sample_1 isotropic 25770 1 8 '3D HNCACB' 1 $sample_1 isotropic 25770 1 9 '3D CBCA(CO)NH' 1 $sample_1 isotropic 25770 1 10 '3D HBHA(CO)NH' 1 $sample_1 isotropic 25770 1 11 '3D HBHANH' 1 $sample_1 isotropic 25770 1 12 '3D HNHA' 2 $sample_2 isotropic 25770 1 13 '3D HNHB' 2 $sample_2 isotropic 25770 1 14 '3D 1H-15N TOCSY' 2 $sample_2 isotropic 25770 1 15 '3D 1H-15N NOESY' 2 $sample_2 isotropic 25770 1 16 '3D 1H-13C NOESY' 3 $sample_3 isotropic 25770 1 18 '3D HCCH-TOCSY' 3 $sample_3 isotropic 25770 1 19 '2D DQF-COSY' 4 $sample_4 isotropic 25770 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 3 $SPARKY . . 25770 1 4 $AutoAssign . . 25770 1 5 $NMRest . . 25770 1 6 $TALOS . . 25770 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 1 1 MET HA H 1 3.824 0.01 . 1 . . . . 1 MET Ha . 25770 1 2 . 1 1 1 1 MET HB2 H 1 2.178 0.01 . 2 . . . . 1 MET Hb2 . 25770 1 3 . 1 1 1 1 MET HB3 H 1 1.984 0.01 . 2 . . . . 1 MET Hb3 . 25770 1 4 . 1 1 1 1 MET HE1 H 1 2.175 0.01 . 1 . . . . 1 MET He* . 25770 1 5 . 1 1 1 1 MET HE2 H 1 2.175 0.01 . 1 . . . . 1 MET He* . 25770 1 6 . 1 1 1 1 MET HE3 H 1 2.175 0.01 . 1 . . . . 1 MET He* . 25770 1 7 . 1 1 1 1 MET HG2 H 1 2.543 0.01 . 2 . . . . 1 MET Hg2 . 25770 1 8 . 1 1 1 1 MET HG3 H 1 2.387 0.01 . 2 . . . . 1 MET Hg3 . 25770 1 9 . 1 1 1 1 MET C C 13 172.040 0.08 . 1 . . . . 1 MET C . 25770 1 10 . 1 1 1 1 MET CA C 13 55.124 0.08 . 1 . . . . 1 MET Ca . 25770 1 11 . 1 1 1 1 MET CB C 13 34.437 0.08 . 1 . . . . 1 MET Cb . 25770 1 12 . 1 1 1 1 MET CE C 13 16.667 0.08 . 1 . . . . 1 MET Ce . 25770 1 13 . 1 1 1 1 MET CG C 13 29.781 0.08 . 1 . . . . 1 MET Cg . 25770 1 14 . 1 1 2 2 ARG H H 1 8.982 0.01 . 1 . . . . 2 ARG H . 25770 1 15 . 1 1 2 2 ARG HA H 1 4.400 0.01 . 1 . . . . 2 ARG Ha . 25770 1 16 . 1 1 2 2 ARG HB2 H 1 2.377 0.01 . 2 . . . . 2 ARG Hb2 . 25770 1 17 . 1 1 2 2 ARG HB3 H 1 1.593 0.01 . 2 . . . . 2 ARG Hb3 . 25770 1 18 . 1 1 2 2 ARG HD2 H 1 3.451 0.01 . 2 . . . . 2 ARG HD2 . 25770 1 19 . 1 1 2 2 ARG HD3 H 1 3.234 0.01 . 2 . . . . 2 ARG HD3 . 25770 1 20 . 1 1 2 2 ARG HG2 H 1 1.798 0.01 . 2 . . . . 2 ARG Hg2 . 25770 1 21 . 1 1 2 2 ARG HG3 H 1 1.560 0.01 . 2 . . . . 2 ARG Hg3 . 25770 1 22 . 1 1 2 2 ARG C C 13 178.896 0.08 . 1 . . . . 2 ARG C . 25770 1 23 . 1 1 2 2 ARG CA C 13 57.248 0.08 . 1 . . . . 2 ARG Ca . 25770 1 24 . 1 1 2 2 ARG CB C 13 32.681 0.08 . 1 . . . . 2 ARG Cb . 25770 1 25 . 1 1 2 2 ARG CD C 13 43.960 0.08 . 1 . . . . 2 ARG Cd . 25770 1 26 . 1 1 2 2 ARG CG C 13 27.951 0.08 . 1 . . . . 2 ARG Cg . 25770 1 27 . 1 1 2 2 ARG N N 15 124.962 0.06 . 1 . . . . 2 ARG N . 25770 1 28 . 1 1 3 3 PHE H H 1 8.700 0.01 . 1 . . . . 3 PHE H . 25770 1 29 . 1 1 3 3 PHE HA H 1 4.425 0.01 . 1 . . . . 3 PHE Ha . 25770 1 30 . 1 1 3 3 PHE HB2 H 1 3.464 0.01 . 2 . . . . 3 PHE Hb2 . 25770 1 31 . 1 1 3 3 PHE HB3 H 1 3.275 0.01 . 2 . . . . 3 PHE Hb3 . 25770 1 32 . 1 1 3 3 PHE C C 13 176.171 0.08 . 1 . . . . 3 PHE C . 25770 1 33 . 1 1 3 3 PHE CA C 13 59.381 0.08 . 1 . . . . 3 PHE Ca . 25770 1 34 . 1 1 3 3 PHE CB C 13 39.697 0.08 . 1 . . . . 3 PHE Cb . 25770 1 35 . 1 1 3 3 PHE N N 15 122.848 0.06 . 1 . . . . 3 PHE N . 25770 1 36 . 1 1 4 4 ASP H H 1 8.512 0.01 . 1 . . . . 4 ASP H . 25770 1 37 . 1 1 4 4 ASP HA H 1 3.073 0.01 . 1 . . . . 4 ASP Ha . 25770 1 38 . 1 1 4 4 ASP HB2 H 1 1.787 0.01 . 2 . . . . 4 ASP Hb2 . 25770 1 39 . 1 1 4 4 ASP HB3 H 1 1.358 0.01 . 2 . . . . 4 ASP Hb3 . 25770 1 40 . 1 1 4 4 ASP C C 13 177.832 0.08 . 1 . . . . 4 ASP C . 25770 1 41 . 1 1 4 4 ASP CA C 13 56.697 0.08 . 1 . . . . 4 ASP Ca . 25770 1 42 . 1 1 4 4 ASP CB C 13 37.181 0.08 . 1 . . . . 4 ASP Cb . 25770 1 43 . 1 1 4 4 ASP N N 15 114.175 0.06 . 1 . . . . 4 ASP N . 25770 1 44 . 1 1 5 5 GLN H H 1 7.121 0.01 . 1 . . . . 5 GLN H . 25770 1 45 . 1 1 5 5 GLN HA H 1 3.993 0.01 . 1 . . . . 5 GLN Ha . 25770 1 46 . 1 1 5 5 GLN HB2 H 1 2.033 0.01 . 2 . . . . 5 GLN Hb2 . 25770 1 47 . 1 1 5 5 GLN HE21 H 1 7.881 0.01 . 2 . . . . 5 GLN He21 . 25770 1 48 . 1 1 5 5 GLN HE22 H 1 6.838 0.01 . 2 . . . . 5 GLN He22 . 25770 1 49 . 1 1 5 5 GLN HG2 H 1 2.384 0.01 . 2 . . . . 5 GLN Hg2 . 25770 1 50 . 1 1 5 5 GLN HG3 H 1 2.358 0.01 . 2 . . . . 5 GLN Hg3 . 25770 1 51 . 1 1 5 5 GLN C C 13 177.280 0.08 . 1 . . . . 5 GLN C . 25770 1 52 . 1 1 5 5 GLN CA C 13 58.347 0.08 . 1 . . . . 5 GLN Ca . 25770 1 53 . 1 1 5 5 GLN CB C 13 28.090 0.08 . 1 . . . . 5 GLN Cb . 25770 1 54 . 1 1 5 5 GLN CD C 13 179.946 0.08 . 1 . . . . 5 GLN Cd . 25770 1 55 . 1 1 5 5 GLN CG C 13 33.498 0.08 . 1 . . . . 5 GLN Cg . 25770 1 56 . 1 1 5 5 GLN N N 15 122.341 0.06 . 1 . . . . 5 GLN N . 25770 1 57 . 1 1 5 5 GLN NE2 N 15 112.529 0.06 . 1 . . . . 5 GLN Ne2 . 25770 1 58 . 1 1 6 6 TYR H H 1 7.760 0.01 . 1 . . . . 6 TYR H . 25770 1 59 . 1 1 6 6 TYR HA H 1 3.872 0.01 . 1 . . . . 6 TYR Ha . 25770 1 60 . 1 1 6 6 TYR HB2 H 1 3.204 0.01 . 2 . . . . 6 TYR Hb2 . 25770 1 61 . 1 1 6 6 TYR HB3 H 1 2.924 0.01 . 2 . . . . 6 TYR Hb3 . 25770 1 62 . 1 1 6 6 TYR C C 13 178.216 0.08 . 1 . . . . 6 TYR C . 25770 1 63 . 1 1 6 6 TYR CA C 13 62.547 0.08 . 1 . . . . 6 TYR Ca . 25770 1 64 . 1 1 6 6 TYR CB C 13 38.272 0.08 . 1 . . . . 6 TYR Cb . 25770 1 65 . 1 1 6 6 TYR N N 15 119.834 0.06 . 1 . . . . 6 TYR N . 25770 1 66 . 1 1 7 7 VAL H H 1 8.119 0.01 . 1 . . . . 7 VAL H . 25770 1 67 . 1 1 7 7 VAL HA H 1 3.124 0.01 . 1 . . . . 7 VAL Ha . 25770 1 68 . 1 1 7 7 VAL HB H 1 1.912 0.01 . 1 . . . . 7 VAL Hb . 25770 1 69 . 1 1 7 7 VAL HG11 H 1 0.838 0.01 . 2 . . . . 7 VAL Hg1* . 25770 1 70 . 1 1 7 7 VAL HG12 H 1 0.838 0.01 . 2 . . . . 7 VAL Hg1* . 25770 1 71 . 1 1 7 7 VAL HG13 H 1 0.838 0.01 . 2 . . . . 7 VAL Hg1* . 25770 1 72 . 1 1 7 7 VAL HG21 H 1 0.715 0.01 . 2 . . . . 7 VAL Hg2* . 25770 1 73 . 1 1 7 7 VAL HG22 H 1 0.715 0.01 . 2 . . . . 7 VAL Hg2* . 25770 1 74 . 1 1 7 7 VAL HG23 H 1 0.715 0.01 . 2 . . . . 7 VAL Hg2* . 25770 1 75 . 1 1 7 7 VAL C C 13 176.022 0.08 . 1 . . . . 7 VAL C . 25770 1 76 . 1 1 7 7 VAL CA C 13 67.445 0.08 . 1 . . . . 7 VAL Ca . 25770 1 77 . 1 1 7 7 VAL CB C 13 31.218 0.08 . 1 . . . . 7 VAL Cb . 25770 1 78 . 1 1 7 7 VAL CG1 C 13 22.212 0.08 . 2 . . . . 7 VAL Cg1 . 25770 1 79 . 1 1 7 7 VAL CG2 C 13 24.984 0.08 . 2 . . . . 7 VAL Cg2 . 25770 1 80 . 1 1 7 7 VAL N N 15 120.112 0.06 . 1 . . . . 7 VAL N . 25770 1 81 . 1 1 8 8 ASP H H 1 7.547 0.01 . 1 . . . . 8 ASP H . 25770 1 82 . 1 1 8 8 ASP HA H 1 4.276 0.01 . 1 . . . . 8 ASP Ha . 25770 1 83 . 1 1 8 8 ASP HB2 H 1 2.674 0.01 . 2 . . . . 8 ASP Hb* . 25770 1 84 . 1 1 8 8 ASP HB3 H 1 2.674 0.01 . 2 . . . . 8 ASP Hb* . 25770 1 85 . 1 1 8 8 ASP C C 13 178.821 0.08 . 1 . . . . 8 ASP C . 25770 1 86 . 1 1 8 8 ASP CA C 13 57.935 0.08 . 1 . . . . 8 ASP Ca . 25770 1 87 . 1 1 8 8 ASP CB C 13 42.104 0.08 . 1 . . . . 8 ASP Cb . 25770 1 88 . 1 1 8 8 ASP N N 15 116.359 0.06 . 1 . . . . 8 ASP N . 25770 1 89 . 1 1 9 9 GLU H H 1 8.255 0.01 . 1 . . . . 9 GLU H . 25770 1 90 . 1 1 9 9 GLU HA H 1 3.953 0.01 . 1 . . . . 9 GLU Ha . 25770 1 91 . 1 1 9 9 GLU HB2 H 1 1.875 0.01 . 2 . . . . 9 GLU Hb* . 25770 1 92 . 1 1 9 9 GLU HB3 H 1 1.875 0.01 . 2 . . . . 9 GLU Hb* . 25770 1 93 . 1 1 9 9 GLU HG2 H 1 2.445 0.01 . 2 . . . . 9 GLU Hg2 . 25770 1 94 . 1 1 9 9 GLU HG3 H 1 2.165 0.01 . 2 . . . . 9 GLU Hg3 . 25770 1 95 . 1 1 9 9 GLU C C 13 178.272 0.08 . 1 . . . . 9 GLU C . 25770 1 96 . 1 1 9 9 GLU CA C 13 58.921 0.08 . 1 . . . . 9 GLU Ca . 25770 1 97 . 1 1 9 9 GLU CB C 13 29.846 0.08 . 1 . . . . 9 GLU Cb . 25770 1 98 . 1 1 9 9 GLU CG C 13 37.177 0.08 . 1 . . . . 9 GLU Cg . 25770 1 99 . 1 1 9 9 GLU N N 15 114.937 0.06 . 1 . . . . 9 GLU N . 25770 1 100 . 1 1 10 10 ASN H H 1 7.321 0.01 . 1 . . . . 10 ASN H . 25770 1 101 . 1 1 10 10 ASN HA H 1 4.711 0.01 . 1 . . . . 10 ASN Ha . 25770 1 102 . 1 1 10 10 ASN HB2 H 1 2.661 0.01 . 2 . . . . 10 ASN Hb2 . 25770 1 103 . 1 1 10 10 ASN HB3 H 1 1.904 0.01 . 2 . . . . 10 ASN Hb3 . 25770 1 104 . 1 1 10 10 ASN HD21 H 1 6.909 0.01 . 2 . . . . 10 ASN Hd21 . 25770 1 105 . 1 1 10 10 ASN HD22 H 1 6.525 0.01 . 2 . . . . 10 ASN Hd22 . 25770 1 106 . 1 1 10 10 ASN C C 13 173.516 0.08 . 1 . . . . 10 ASN C . 25770 1 107 . 1 1 10 10 ASN CA C 13 53.545 0.08 . 1 . . . . 10 ASN Ca . 25770 1 108 . 1 1 10 10 ASN CB C 13 39.493 0.08 . 1 . . . . 10 ASN Cb . 25770 1 109 . 1 1 10 10 ASN N N 15 113.554 0.06 . 1 . . . . 10 ASN N . 25770 1 110 . 1 1 10 10 ASN ND2 N 15 118.977 0.06 . 1 . . . . 10 ASN Nd2 . 25770 1 111 . 1 1 11 11 LYS H H 1 7.244 0.01 . 1 . . . . 11 LYS H . 25770 1 112 . 1 1 11 11 LYS HA H 1 4.198 0.01 . 1 . . . . 11 LYS Ha . 25770 1 113 . 1 1 11 11 LYS HB2 H 1 1.960 0.01 . 2 . . . . 11 LYS Hb2 . 25770 1 114 . 1 1 11 11 LYS HB3 H 1 1.839 0.01 . 2 . . . . 11 LYS Hb3 . 25770 1 115 . 1 1 11 11 LYS C C 13 177.057 0.08 . 1 . . . . 11 LYS C . 25770 1 116 . 1 1 11 11 LYS CA C 13 56.741 0.08 . 1 . . . . 11 LYS Ca . 25770 1 117 . 1 1 11 11 LYS CB C 13 33.423 0.08 . 1 . . . . 11 LYS Cb . 25770 1 118 . 1 1 11 11 LYS N N 15 120.171 0.06 . 1 . . . . 11 LYS N . 25770 1 119 . 1 1 12 12 SER H H 1 8.990 0.01 . 1 . . . . 12 SER H . 25770 1 120 . 1 1 12 12 SER HA H 1 4.347 0.01 . 1 . . . . 12 SER Ha . 25770 1 121 . 1 1 12 12 SER HB2 H 1 4.072 0.01 . 2 . . . . 12 SER Hb2 . 25770 1 122 . 1 1 12 12 SER HB3 H 1 3.953 0.01 . 2 . . . . 12 SER Hb3 . 25770 1 123 . 1 1 12 12 SER C C 13 174.112 0.08 . 1 . . . . 12 SER C . 25770 1 124 . 1 1 12 12 SER CA C 13 60.331 0.08 . 1 . . . . 12 SER Ca . 25770 1 125 . 1 1 12 12 SER CB C 13 64.048 0.08 . 1 . . . . 12 SER Cb . 25770 1 126 . 1 1 12 12 SER N N 15 116.541 0.06 . 1 . . . . 12 SER N . 25770 1 127 . 1 1 13 13 SER H H 1 7.181 0.01 . 1 . . . . 13 SER H . 25770 1 128 . 1 1 13 13 SER HA H 1 4.594 0.01 . 1 . . . . 13 SER Ha . 25770 1 129 . 1 1 13 13 SER HB2 H 1 3.832 0.01 . 2 . . . . 13 SER Hb2 . 25770 1 130 . 1 1 13 13 SER HB3 H 1 3.055 0.01 . 2 . . . . 13 SER Hb3 . 25770 1 131 . 1 1 13 13 SER C C 13 175.157 0.08 . 1 . . . . 13 SER C . 25770 1 132 . 1 1 13 13 SER CA C 13 56.952 0.08 . 1 . . . . 13 SER Ca . 25770 1 133 . 1 1 13 13 SER CB C 13 64.305 0.08 . 1 . . . . 13 SER Cb . 25770 1 134 . 1 1 13 13 SER N N 15 111.263 0.06 . 1 . . . . 13 SER N . 25770 1 135 . 1 1 14 14 ASP H H 1 9.043 0.01 . 1 . . . . 14 ASP H . 25770 1 136 . 1 1 14 14 ASP HA H 1 4.382 0.01 . 1 . . . . 14 ASP Ha . 25770 1 137 . 1 1 14 14 ASP HB2 H 1 2.776 0.01 . 2 . . . . 14 ASP Hb2 . 25770 1 138 . 1 1 14 14 ASP HB3 H 1 2.636 0.01 . 2 . . . . 14 ASP Hb3 . 25770 1 139 . 1 1 14 14 ASP C C 13 178.122 0.08 . 1 . . . . 14 ASP C . 25770 1 140 . 1 1 14 14 ASP CA C 13 56.918 0.08 . 1 . . . . 14 ASP Ca . 25770 1 141 . 1 1 14 14 ASP CB C 13 39.964 0.08 . 1 . . . . 14 ASP Cb . 25770 1 142 . 1 1 14 14 ASP N N 15 126.463 0.06 . 1 . . . . 14 ASP N . 25770 1 143 . 1 1 15 15 ASP H H 1 8.409 0.01 . 1 . . . . 15 ASP H . 25770 1 144 . 1 1 15 15 ASP HA H 1 4.386 0.01 . 1 . . . . 15 ASP Ha . 25770 1 145 . 1 1 15 15 ASP HB2 H 1 2.446 0.01 . 2 . . . . 15 ASP Hb2 . 25770 1 146 . 1 1 15 15 ASP HB3 H 1 2.166 0.01 . 2 . . . . 15 ASP Hb3 . 25770 1 147 . 1 1 15 15 ASP C C 13 177.027 0.08 . 1 . . . . 15 ASP C . 25770 1 148 . 1 1 15 15 ASP CA C 13 55.928 0.08 . 1 . . . . 15 ASP Ca . 25770 1 149 . 1 1 15 15 ASP CB C 13 39.885 0.08 . 1 . . . . 15 ASP Cb . 25770 1 150 . 1 1 15 15 ASP N N 15 119.712 0.06 . 1 . . . . 15 ASP N . 25770 1 151 . 1 1 16 16 PHE H H 1 7.394 0.01 . 1 . . . . 16 PHE H . 25770 1 152 . 1 1 16 16 PHE HA H 1 4.820 0.01 . 1 . . . . 16 PHE Ha . 25770 1 153 . 1 1 16 16 PHE HB2 H 1 3.486 0.01 . 2 . . . . 16 PHE Hb2 . 25770 1 154 . 1 1 16 16 PHE HB3 H 1 2.976 0.01 . 2 . . . . 16 PHE Hb3 . 25770 1 155 . 1 1 16 16 PHE HD1 H 1 7.257 0.01 . 3 . . . . 16 PHE Hd* . 25770 1 156 . 1 1 16 16 PHE HD2 H 1 7.257 0.01 . 3 . . . . 16 PHE Hd* . 25770 1 157 . 1 1 16 16 PHE C C 13 176.408 0.08 . 1 . . . . 16 PHE C . 25770 1 158 . 1 1 16 16 PHE CA C 13 57.355 0.08 . 1 . . . . 16 PHE Ca . 25770 1 159 . 1 1 16 16 PHE CB C 13 39.411 0.08 . 1 . . . . 16 PHE Cb . 25770 1 160 . 1 1 16 16 PHE N N 15 113.548 0.06 . 1 . . . . 16 PHE N . 25770 1 161 . 1 1 17 17 GLU H H 1 7.890 0.01 . 1 . . . . 17 GLU H . 25770 1 162 . 1 1 17 17 GLU HA H 1 4.149 0.01 . 1 . . . . 17 GLU Ha . 25770 1 163 . 1 1 17 17 GLU HB2 H 1 2.231 0.01 . 2 . . . . 17 GLU Hb* . 25770 1 164 . 1 1 17 17 GLU HB3 H 1 2.231 0.01 . 2 . . . . 17 GLU Hb* . 25770 1 165 . 1 1 17 17 GLU HG2 H 1 2.483 0.01 . 2 . . . . 17 GLU Hg* . 25770 1 166 . 1 1 17 17 GLU HG3 H 1 2.483 0.01 . 2 . . . . 17 GLU Hg* . 25770 1 167 . 1 1 17 17 GLU C C 13 174.752 0.08 . 1 . . . . 17 GLU C . 25770 1 168 . 1 1 17 17 GLU CA C 13 62.362 0.08 . 1 . . . . 17 GLU Ca . 25770 1 169 . 1 1 17 17 GLU CB C 13 27.412 0.08 . 1 . . . . 17 GLU Cb . 25770 1 170 . 1 1 17 17 GLU CG C 13 36.420 0.08 . 1 . . . . 17 GLU Cg . 25770 1 171 . 1 1 17 17 GLU N N 15 121.730 0.06 . 1 . . . . 17 GLU N . 25770 1 172 . 1 1 18 18 PRO HA H 1 4.440 0.01 . 1 . . . . 18 PRO Ha . 25770 1 173 . 1 1 18 18 PRO HB2 H 1 2.362 0.01 . 2 . . . . 18 PRO Hb2 . 25770 1 174 . 1 1 18 18 PRO HB3 H 1 1.878 0.01 . 2 . . . . 18 PRO Hb3 . 25770 1 175 . 1 1 18 18 PRO HD2 H 1 3.758 0.01 . 2 . . . . 18 PRO HD2 . 25770 1 176 . 1 1 18 18 PRO HD3 H 1 3.713 0.01 . 2 . . . . 18 PRO HD3 . 25770 1 177 . 1 1 18 18 PRO HG2 H 1 2.054 0.01 . 2 . . . . 18 PRO Hg* . 25770 1 178 . 1 1 18 18 PRO HG3 H 1 2.054 0.01 . 2 . . . . 18 PRO Hg* . 25770 1 179 . 1 1 18 18 PRO C C 13 179.418 0.08 . 1 . . . . 18 PRO C . 25770 1 180 . 1 1 18 18 PRO CA C 13 66.180 0.08 . 1 . . . . 18 PRO Ca . 25770 1 181 . 1 1 18 18 PRO CB C 13 30.990 0.08 . 1 . . . . 18 PRO Cb . 25770 1 182 . 1 1 18 18 PRO CD C 13 49.980 0.08 . 1 . . . . 18 PRO Cd . 25770 1 183 . 1 1 18 18 PRO CG C 13 28.426 0.08 . 1 . . . . 18 PRO Cg . 25770 1 184 . 1 1 19 19 LEU H H 1 7.131 0.01 . 1 . . . . 19 LEU H . 25770 1 185 . 1 1 19 19 LEU HA H 1 4.202 0.01 . 1 . . . . 19 LEU Ha . 25770 1 186 . 1 1 19 19 LEU HB2 H 1 1.947 0.01 . 2 . . . . 19 LEU Hb2 . 25770 1 187 . 1 1 19 19 LEU HB3 H 1 1.609 0.01 . 2 . . . . 19 LEU Hb3 . 25770 1 188 . 1 1 19 19 LEU HD11 H 1 0.922 0.01 . 2 . . . . 19 LEU Hd1* . 25770 1 189 . 1 1 19 19 LEU HD12 H 1 0.922 0.01 . 2 . . . . 19 LEU Hd1* . 25770 1 190 . 1 1 19 19 LEU HD13 H 1 0.922 0.01 . 2 . . . . 19 LEU Hd1* . 25770 1 191 . 1 1 19 19 LEU HD21 H 1 0.863 0.01 . 2 . . . . 19 LEU Hd2* . 25770 1 192 . 1 1 19 19 LEU HD22 H 1 0.863 0.01 . 2 . . . . 19 LEU Hd2* . 25770 1 193 . 1 1 19 19 LEU HD23 H 1 0.863 0.01 . 2 . . . . 19 LEU Hd2* . 25770 1 194 . 1 1 19 19 LEU HG H 1 1.743 0.01 . 1 . . . . 19 LEU Hg . 25770 1 195 . 1 1 19 19 LEU C C 13 178.820 0.08 . 1 . . . . 19 LEU C . 25770 1 196 . 1 1 19 19 LEU CA C 13 57.495 0.08 . 1 . . . . 19 LEU Ca . 25770 1 197 . 1 1 19 19 LEU CB C 13 42.250 0.08 . 1 . . . . 19 LEU Cb . 25770 1 198 . 1 1 19 19 LEU CD1 C 13 25.255 0.08 . 1 . . . . 19 LEU Cd1 . 25770 1 199 . 1 1 19 19 LEU CD2 C 13 23.870 0.08 . 1 . . . . 19 LEU Cd2 . 25770 1 200 . 1 1 19 19 LEU CG C 13 27.862 0.08 . 1 . . . . 19 LEU Cg . 25770 1 201 . 1 1 19 19 LEU N N 15 117.792 0.06 . 1 . . . . 19 LEU N . 25770 1 202 . 1 1 20 20 ILE H H 1 7.974 0.01 . 1 . . . . 20 ILE H . 25770 1 203 . 1 1 20 20 ILE HA H 1 3.414 0.01 . 1 . . . . 20 ILE Ha . 25770 1 204 . 1 1 20 20 ILE HB H 1 2.069 0.01 . 1 . . . . 20 ILE Hb . 25770 1 205 . 1 1 20 20 ILE HD11 H 1 0.897 0.01 . 1 . . . . 20 ILE Hd1* . 25770 1 206 . 1 1 20 20 ILE HD12 H 1 0.897 0.01 . 1 . . . . 20 ILE Hd1* . 25770 1 207 . 1 1 20 20 ILE HD13 H 1 0.897 0.01 . 1 . . . . 20 ILE Hd1* . 25770 1 208 . 1 1 20 20 ILE HG21 H 1 0.991 0.01 . 1 . . . . 20 ILE Hg2* . 25770 1 209 . 1 1 20 20 ILE HG22 H 1 0.991 0.01 . 1 . . . . 20 ILE Hg2* . 25770 1 210 . 1 1 20 20 ILE HG23 H 1 0.991 0.01 . 1 . . . . 20 ILE Hg2* . 25770 1 211 . 1 1 20 20 ILE C C 13 177.421 0.08 . 1 . . . . 20 ILE C . 25770 1 212 . 1 1 20 20 ILE CA C 13 65.849 0.08 . 1 . . . . 20 ILE Ca . 25770 1 213 . 1 1 20 20 ILE CB C 13 38.223 0.08 . 1 . . . . 20 ILE Cb . 25770 1 214 . 1 1 20 20 ILE CD1 C 13 15.188 0.08 . 1 . . . . 20 ILE Cd1 . 25770 1 215 . 1 1 20 20 ILE CG2 C 13 17.681 0.08 . 1 . . . . 20 ILE Cg2 . 25770 1 216 . 1 1 20 20 ILE N N 15 120.500 0.06 . 1 . . . . 20 ILE N . 25770 1 217 . 1 1 21 21 HIS H H 1 7.838 0.01 . 1 . . . . 21 HIS H . 25770 1 218 . 1 1 21 21 HIS HA H 1 4.396 0.01 . 1 . . . . 21 HIS Ha . 25770 1 219 . 1 1 21 21 HIS HB2 H 1 3.231 0.01 . 2 . . . . 21 HIS Hb* . 25770 1 220 . 1 1 21 21 HIS HB3 H 1 3.231 0.01 . 2 . . . . 21 HIS Hb* . 25770 1 221 . 1 1 21 21 HIS HD2 H 1 7.175 0.01 . 1 . . . . 21 HIS Hd2 . 25770 1 222 . 1 1 21 21 HIS C C 13 177.163 0.08 . 1 . . . . 21 HIS C . 25770 1 223 . 1 1 21 21 HIS CA C 13 59.725 0.08 . 1 . . . . 21 HIS Ca . 25770 1 224 . 1 1 21 21 HIS CB C 13 29.285 0.08 . 1 . . . . 21 HIS Cb . 25770 1 225 . 1 1 21 21 HIS N N 15 117.503 0.06 . 1 . . . . 21 HIS N . 25770 1 226 . 1 1 22 22 ASP H H 1 7.906 0.01 . 1 . . . . 22 ASP H . 25770 1 227 . 1 1 22 22 ASP HA H 1 4.335 0.01 . 1 . . . . 22 ASP Ha . 25770 1 228 . 1 1 22 22 ASP HB2 H 1 2.797 0.01 . 2 . . . . 22 ASP Hb2 . 25770 1 229 . 1 1 22 22 ASP HB3 H 1 2.639 0.01 . 2 . . . . 22 ASP Hb3 . 25770 1 230 . 1 1 22 22 ASP C C 13 177.932 0.08 . 1 . . . . 22 ASP C . 25770 1 231 . 1 1 22 22 ASP CA C 13 57.612 0.08 . 1 . . . . 22 ASP Ca . 25770 1 232 . 1 1 22 22 ASP CB C 13 42.053 0.08 . 1 . . . . 22 ASP Cb . 25770 1 233 . 1 1 22 22 ASP N N 15 118.187 0.06 . 1 . . . . 22 ASP N . 25770 1 234 . 1 1 23 23 LEU H H 1 8.132 0.01 . 1 . . . . 23 LEU H . 25770 1 235 . 1 1 23 23 LEU HA H 1 3.567 0.01 . 1 . . . . 23 LEU Ha . 25770 1 236 . 1 1 23 23 LEU HB2 H 1 1.556 0.01 . 2 . . . . 23 LEU Hb2 . 25770 1 237 . 1 1 23 23 LEU HB3 H 1 1.176 0.01 . 2 . . . . 23 LEU Hb3 . 25770 1 238 . 1 1 23 23 LEU HD11 H 1 -0.276 0.01 . 2 . . . . 23 LEU Hd1* . 25770 1 239 . 1 1 23 23 LEU HD12 H 1 -0.276 0.01 . 2 . . . . 23 LEU Hd1* . 25770 1 240 . 1 1 23 23 LEU HD13 H 1 -0.276 0.01 . 2 . . . . 23 LEU Hd1* . 25770 1 241 . 1 1 23 23 LEU HD21 H 1 0.018 0.01 . 2 . . . . 23 LEU Hd2* . 25770 1 242 . 1 1 23 23 LEU HD22 H 1 0.018 0.01 . 2 . . . . 23 LEU Hd2* . 25770 1 243 . 1 1 23 23 LEU HD23 H 1 0.018 0.01 . 2 . . . . 23 LEU Hd2* . 25770 1 244 . 1 1 23 23 LEU HG H 1 0.222 0.01 . 1 . . . . 23 LEU Hg . 25770 1 245 . 1 1 23 23 LEU C C 13 176.879 0.08 . 1 . . . . 23 LEU C . 25770 1 246 . 1 1 23 23 LEU CA C 13 58.192 0.08 . 1 . . . . 23 LEU Ca . 25770 1 247 . 1 1 23 23 LEU CB C 13 41.864 0.08 . 1 . . . . 23 LEU Cb . 25770 1 248 . 1 1 23 23 LEU CD1 C 13 22.177 0.08 . 2 . . . . 23 LEU Cd1 . 25770 1 249 . 1 1 23 23 LEU CD2 C 13 25.778 0.08 . 2 . . . . 23 LEU Cd2 . 25770 1 250 . 1 1 23 23 LEU CG C 13 26.425 0.08 . 1 . . . . 23 LEU Cg . 25770 1 251 . 1 1 23 23 LEU N N 15 119.635 0.06 . 1 . . . . 23 LEU N . 25770 1 252 . 1 1 24 24 PHE H H 1 8.064 0.01 . 1 . . . . 24 PHE H . 25770 1 253 . 1 1 24 24 PHE HA H 1 4.405 0.01 . 1 . . . . 24 PHE Ha . 25770 1 254 . 1 1 24 24 PHE HB2 H 1 3.254 0.01 . 2 . . . . 24 PHE Hb2 . 25770 1 255 . 1 1 24 24 PHE HB3 H 1 3.036 0.01 . 2 . . . . 24 PHE Hb3 . 25770 1 256 . 1 1 24 24 PHE HD1 H 1 7.611 0.01 . 3 . . . . 24 PHE Hd* . 25770 1 257 . 1 1 24 24 PHE HD2 H 1 7.611 0.01 . 3 . . . . 24 PHE Hd* . 25770 1 258 . 1 1 24 24 PHE C C 13 177.289 0.08 . 1 . . . . 24 PHE C . 25770 1 259 . 1 1 24 24 PHE CA C 13 62.343 0.08 . 1 . . . . 24 PHE Ca . 25770 1 260 . 1 1 24 24 PHE CB C 13 38.974 0.08 . 1 . . . . 24 PHE Cb . 25770 1 261 . 1 1 24 24 PHE CD1 C 13 132.260 0.08 . 3 . . . . 24 PHE Cd . 25770 1 262 . 1 1 24 24 PHE CD2 C 13 132.260 0.08 . 3 . . . . 24 PHE Cd . 25770 1 263 . 1 1 24 24 PHE N N 15 112.111 0.06 . 1 . . . . 24 PHE N . 25770 1 264 . 1 1 25 25 GLU H H 1 8.521 0.01 . 1 . . . . 25 GLU H . 25770 1 265 . 1 1 25 25 GLU HA H 1 4.499 0.01 . 1 . . . . 25 GLU Ha . 25770 1 266 . 1 1 25 25 GLU HB2 H 1 1.908 0.01 . 2 . . . . 25 GLU Hb2 . 25770 1 267 . 1 1 25 25 GLU HB3 H 1 1.820 0.01 . 2 . . . . 25 GLU Hb3 . 25770 1 268 . 1 1 25 25 GLU C C 13 177.691 0.08 . 1 . . . . 25 GLU C . 25770 1 269 . 1 1 25 25 GLU CA C 13 57.643 0.08 . 1 . . . . 25 GLU Ca . 25770 1 270 . 1 1 25 25 GLU CB C 13 29.695 0.08 . 1 . . . . 25 GLU Cb . 25770 1 271 . 1 1 25 25 GLU N N 15 116.276 0.06 . 1 . . . . 25 GLU N . 25770 1 272 . 1 1 26 26 THR H H 1 7.568 0.01 . 1 . . . . 26 THR H . 25770 1 273 . 1 1 26 26 THR HA H 1 4.333 0.01 . 1 . . . . 26 THR Ha . 25770 1 274 . 1 1 26 26 THR HB H 1 4.503 0.01 . 1 . . . . 26 THR Hb . 25770 1 275 . 1 1 26 26 THR HG21 H 1 1.188 0.01 . 1 . . . . 26 THR Hg2* . 25770 1 276 . 1 1 26 26 THR HG22 H 1 1.188 0.01 . 1 . . . . 26 THR Hg2* . 25770 1 277 . 1 1 26 26 THR HG23 H 1 1.188 0.01 . 1 . . . . 26 THR Hg2* . 25770 1 278 . 1 1 26 26 THR C C 13 175.771 0.08 . 1 . . . . 26 THR C . 25770 1 279 . 1 1 26 26 THR CA C 13 64.419 0.08 . 1 . . . . 26 THR Ca . 25770 1 280 . 1 1 26 26 THR CB C 13 69.016 0.08 . 1 . . . . 26 THR Cb . 25770 1 281 . 1 1 26 26 THR CG2 C 13 22.260 0.08 . 1 . . . . 26 THR Cg2 . 25770 1 282 . 1 1 26 26 THR N N 15 112.558 0.06 . 1 . . . . 26 THR N . 25770 1 283 . 1 1 27 27 ARG H H 1 8.183 0.01 . 1 . . . . 27 ARG H . 25770 1 284 . 1 1 27 27 ARG HA H 1 4.624 0.01 . 1 . . . . 27 ARG Ha . 25770 1 285 . 1 1 27 27 ARG C C 13 177.838 0.08 . 1 . . . . 27 ARG C . 25770 1 286 . 1 1 27 27 ARG CA C 13 58.022 0.08 . 1 . . . . 27 ARG Ca . 25770 1 287 . 1 1 27 27 ARG N N 15 119.973 0.06 . 1 . . . . 27 ARG N . 25770 1 288 . 1 1 28 28 TRP H H 1 8.243 0.01 . 1 . . . . 28 TRP H . 25770 1 289 . 1 1 28 28 TRP HA H 1 5.107 0.01 . 1 . . . . 28 TRP Ha . 25770 1 290 . 1 1 28 28 TRP HB2 H 1 3.425 0.01 . 2 . . . . 28 TRP Hb2 . 25770 1 291 . 1 1 28 28 TRP HB3 H 1 3.251 0.01 . 2 . . . . 28 TRP Hb3 . 25770 1 292 . 1 1 28 28 TRP HD1 H 1 7.182 0.01 . 1 . . . . 28 TRP Hd1 . 25770 1 293 . 1 1 28 28 TRP HE1 H 1 10.280 0.01 . 1 . . . . 28 TRP He1 . 25770 1 294 . 1 1 28 28 TRP HH2 H 1 6.167 0.01 . 1 . . . . 28 TRP Hh2 . 25770 1 295 . 1 1 28 28 TRP HZ2 H 1 7.051 0.01 . 1 . . . . 28 TRP Hz2 . 25770 1 296 . 1 1 28 28 TRP CA C 13 54.502 0.08 . 1 . . . . 28 TRP Ca . 25770 1 297 . 1 1 28 28 TRP CB C 13 29.591 0.08 . 1 . . . . 28 TRP Cb . 25770 1 298 . 1 1 28 28 TRP CD1 C 13 123.380 0.08 . 1 . . . . 28 TRP Cd1 . 25770 1 299 . 1 1 28 28 TRP CH2 C 13 123.416 0.08 . 1 . . . . 28 TRP Ch2 . 25770 1 300 . 1 1 28 28 TRP CZ2 C 13 114.227 0.08 . 1 . . . . 28 TRP Cz2 . 25770 1 301 . 1 1 28 28 TRP N N 15 117.384 0.06 . 1 . . . . 28 TRP N . 25770 1 302 . 1 1 28 28 TRP NE1 N 15 127.443 0.06 . 1 . . . . 28 TRP Ne1 . 25770 1 303 . 1 1 29 29 HIS HA H 1 4.517 0.01 . 1 . . . . 29 HIS Ha . 25770 1 304 . 1 1 29 29 HIS HB2 H 1 3.310 0.01 . 2 . . . . 29 HIS Hb2 . 25770 1 305 . 1 1 29 29 HIS HB3 H 1 3.245 0.01 . 2 . . . . 29 HIS Hb3 . 25770 1 306 . 1 1 29 29 HIS HD2 H 1 7.165 0.01 . 1 . . . . 29 HIS Hd2 . 25770 1 307 . 1 1 29 29 HIS C C 13 175.693 0.08 . 1 . . . . 29 HIS C . 25770 1 308 . 1 1 29 29 HIS CA C 13 57.589 0.08 . 1 . . . . 29 HIS Ca . 25770 1 309 . 1 1 29 29 HIS CB C 13 28.725 0.08 . 1 . . . . 29 HIS Cb . 25770 1 310 . 1 1 30 30 GLY H H 1 8.542 0.01 . 1 . . . . 30 GLY H . 25770 1 311 . 1 1 30 30 GLY C C 13 175.679 0.08 . 1 . . . . 30 GLY C . 25770 1 312 . 1 1 30 30 GLY CA C 13 45.993 0.08 . 1 . . . . 30 GLY Ca . 25770 1 313 . 1 1 30 30 GLY N N 15 108.082 0.06 . 1 . . . . 30 GLY N . 25770 1 314 . 1 1 31 31 THR H H 1 7.994 0.01 . 1 . . . . 31 THR H . 25770 1 315 . 1 1 31 31 THR HA H 1 4.179 0.01 . 1 . . . . 31 THR Ha . 25770 1 316 . 1 1 31 31 THR HB H 1 3.861 0.01 . 1 . . . . 31 THR Hb . 25770 1 317 . 1 1 31 31 THR HG21 H 1 1.069 0.01 . 1 . . . . 31 THR Hg2* . 25770 1 318 . 1 1 31 31 THR HG22 H 1 1.069 0.01 . 1 . . . . 31 THR Hg2* . 25770 1 319 . 1 1 31 31 THR HG23 H 1 1.069 0.01 . 1 . . . . 31 THR Hg2* . 25770 1 320 . 1 1 31 31 THR C C 13 176.084 0.08 . 1 . . . . 31 THR C . 25770 1 321 . 1 1 31 31 THR CA C 13 64.037 0.08 . 1 . . . . 31 THR Ca . 25770 1 322 . 1 1 31 31 THR CB C 13 69.664 0.08 . 1 . . . . 31 THR Cb . 25770 1 323 . 1 1 31 31 THR N N 15 113.924 0.06 . 1 . . . . 31 THR N . 25770 1 324 . 1 1 32 32 GLY HA2 H 1 3.671 0.01 . 2 . . . . 32 GLY Ha2 . 25770 1 325 . 1 1 32 32 GLY HA3 H 1 3.603 0.01 . 2 . . . . 32 GLY Ha3 . 25770 1 326 . 1 1 32 32 GLY C C 13 174.351 0.08 . 1 . . . . 32 GLY C . 25770 1 327 . 1 1 32 32 GLY CA C 13 47.171 0.08 . 1 . . . . 32 GLY Ca . 25770 1 328 . 1 1 33 33 ARG H H 1 7.731 0.01 . 1 . . . . 33 ARG H . 25770 1 329 . 1 1 33 33 ARG HA H 1 4.246 0.01 . 1 . . . . 33 ARG Ha . 25770 1 330 . 1 1 33 33 ARG HB2 H 1 1.871 0.01 . 2 . . . . 33 ARG Hb* . 25770 1 331 . 1 1 33 33 ARG HB3 H 1 1.871 0.01 . 2 . . . . 33 ARG Hb* . 25770 1 332 . 1 1 33 33 ARG C C 13 175.824 0.08 . 1 . . . . 33 ARG C . 25770 1 333 . 1 1 33 33 ARG CA C 13 57.634 0.08 . 1 . . . . 33 ARG Ca . 25770 1 334 . 1 1 33 33 ARG CB C 13 30.560 0.08 . 1 . . . . 33 ARG Cb . 25770 1 335 . 1 1 33 33 ARG N N 15 115.700 0.06 . 1 . . . . 33 ARG N . 25770 1 336 . 1 1 34 34 GLU H H 1 7.660 0.01 . 1 . . . . 34 GLU H . 25770 1 337 . 1 1 34 34 GLU HA H 1 4.310 0.01 . 1 . . . . 34 GLU Ha . 25770 1 338 . 1 1 34 34 GLU HB2 H 1 2.323 0.01 . 2 . . . . 34 GLU Hb2 . 25770 1 339 . 1 1 34 34 GLU HB3 H 1 1.969 0.01 . 2 . . . . 34 GLU Hb3 . 25770 1 340 . 1 1 34 34 GLU C C 13 176.299 0.08 . 1 . . . . 34 GLU C . 25770 1 341 . 1 1 34 34 GLU CA C 13 55.817 0.08 . 1 . . . . 34 GLU Ca . 25770 1 342 . 1 1 34 34 GLU CB C 13 29.769 0.08 . 1 . . . . 34 GLU Cb . 25770 1 343 . 1 1 34 34 GLU N N 15 114.780 0.06 . 1 . . . . 34 GLU N . 25770 1 344 . 1 1 35 35 ILE H H 1 7.283 0.01 . 1 . . . . 35 ILE H . 25770 1 345 . 1 1 35 35 ILE HA H 1 4.338 0.01 . 1 . . . . 35 ILE Ha . 25770 1 346 . 1 1 35 35 ILE HB H 1 1.710 0.01 . 1 . . . . 35 ILE Hb . 25770 1 347 . 1 1 35 35 ILE HD11 H 1 0.527 0.01 . 1 . . . . 35 ILE Hd1* . 25770 1 348 . 1 1 35 35 ILE HD12 H 1 0.527 0.01 . 1 . . . . 35 ILE Hd1* . 25770 1 349 . 1 1 35 35 ILE HD13 H 1 0.527 0.01 . 1 . . . . 35 ILE Hd1* . 25770 1 350 . 1 1 35 35 ILE HG21 H 1 0.267 0.01 . 1 . . . . 35 ILE Hg2* . 25770 1 351 . 1 1 35 35 ILE HG22 H 1 0.267 0.01 . 1 . . . . 35 ILE Hg2* . 25770 1 352 . 1 1 35 35 ILE HG23 H 1 0.267 0.01 . 1 . . . . 35 ILE Hg2* . 25770 1 353 . 1 1 35 35 ILE C C 13 174.034 0.08 . 1 . . . . 35 ILE C . 25770 1 354 . 1 1 35 35 ILE CA C 13 62.010 0.08 . 1 . . . . 35 ILE Ca . 25770 1 355 . 1 1 35 35 ILE CB C 13 38.255 0.08 . 1 . . . . 35 ILE Cb . 25770 1 356 . 1 1 35 35 ILE CD1 C 13 12.746 0.08 . 1 . . . . 35 ILE Cd1 . 25770 1 357 . 1 1 35 35 ILE CG2 C 13 17.096 0.08 . 1 . . . . 35 ILE Cg2 . 25770 1 358 . 1 1 35 35 ILE N N 15 120.666 0.06 . 1 . . . . 35 ILE N . 25770 1 359 . 1 1 36 36 TRP H H 1 9.017 0.01 . 1 . . . . 36 TRP H . 25770 1 360 . 1 1 36 36 TRP HA H 1 4.974 0.01 . 1 . . . . 36 TRP Ha . 25770 1 361 . 1 1 36 36 TRP HB2 H 1 3.093 0.01 . 2 . . . . 36 TRP Hb2 . 25770 1 362 . 1 1 36 36 TRP HB3 H 1 2.991 0.01 . 2 . . . . 36 TRP Hb3 . 25770 1 363 . 1 1 36 36 TRP HD1 H 1 7.035 0.01 . 1 . . . . 36 TRP Hd1 . 25770 1 364 . 1 1 36 36 TRP HE1 H 1 10.554 0.01 . 1 . . . . 36 TRP He1 . 25770 1 365 . 1 1 36 36 TRP HE3 H 1 7.569 0.01 . 1 . . . . 36 TRP He3 . 25770 1 366 . 1 1 36 36 TRP HH2 H 1 7.298 0.01 . 1 . . . . 36 TRP Hh2 . 25770 1 367 . 1 1 36 36 TRP HZ2 H 1 7.567 0.01 . 1 . . . . 36 TRP Hz2 . 25770 1 368 . 1 1 36 36 TRP C C 13 176.090 0.08 . 1 . . . . 36 TRP C . 25770 1 369 . 1 1 36 36 TRP CA C 13 56.033 0.08 . 1 . . . . 36 TRP Ca . 25770 1 370 . 1 1 36 36 TRP CB C 13 31.184 0.08 . 1 . . . . 36 TRP Cb . 25770 1 371 . 1 1 36 36 TRP CD1 C 13 127.856 0.08 . 1 . . . . 36 TRP Cd1 . 25770 1 372 . 1 1 36 36 TRP CE3 C 13 121.167 0.08 . 1 . . . . 36 TRP Ce3 . 25770 1 373 . 1 1 36 36 TRP CH2 C 13 124.429 0.08 . 1 . . . . 36 TRP Ch2 . 25770 1 374 . 1 1 36 36 TRP CZ2 C 13 114.615 0.08 . 1 . . . . 36 TRP Cz2 . 25770 1 375 . 1 1 36 36 TRP N N 15 129.971 0.06 . 1 . . . . 36 TRP N . 25770 1 376 . 1 1 36 36 TRP NE1 N 15 130.349 0.06 . 1 . . . . 36 TRP Ne1 . 25770 1 377 . 1 1 37 37 ILE H H 1 8.686 0.01 . 1 . . . . 37 ILE H . 25770 1 378 . 1 1 37 37 ILE HA H 1 5.496 0.01 . 1 . . . . 37 ILE Ha . 25770 1 379 . 1 1 37 37 ILE HB H 1 1.748 0.01 . 1 . . . . 37 ILE Hb . 25770 1 380 . 1 1 37 37 ILE HD11 H 1 0.140 0.01 . 1 . . . . 37 ILE Hd1* . 25770 1 381 . 1 1 37 37 ILE HD12 H 1 0.140 0.01 . 1 . . . . 37 ILE Hd1* . 25770 1 382 . 1 1 37 37 ILE HD13 H 1 0.140 0.01 . 1 . . . . 37 ILE Hd1* . 25770 1 383 . 1 1 37 37 ILE HG12 H 1 1.119 0.01 . 2 . . . . 37 ILE Hg12 . 25770 1 384 . 1 1 37 37 ILE HG13 H 1 0.969 0.01 . 2 . . . . 37 ILE Hg13 . 25770 1 385 . 1 1 37 37 ILE HG21 H 1 0.495 0.01 . 1 . . . . 37 ILE Hg2* . 25770 1 386 . 1 1 37 37 ILE HG22 H 1 0.495 0.01 . 1 . . . . 37 ILE Hg2* . 25770 1 387 . 1 1 37 37 ILE HG23 H 1 0.495 0.01 . 1 . . . . 37 ILE Hg2* . 25770 1 388 . 1 1 37 37 ILE C C 13 174.936 0.08 . 1 . . . . 37 ILE C . 25770 1 389 . 1 1 37 37 ILE CA C 13 57.839 0.08 . 1 . . . . 37 ILE Ca . 25770 1 390 . 1 1 37 37 ILE CB C 13 40.472 0.08 . 1 . . . . 37 ILE Cb . 25770 1 391 . 1 1 37 37 ILE CD1 C 13 13.596 0.08 . 1 . . . . 37 ILE Cd1 . 25770 1 392 . 1 1 37 37 ILE CG1 C 13 26.422 0.08 . 1 . . . . 37 ILE Cg1 . 25770 1 393 . 1 1 37 37 ILE CG2 C 13 18.387 0.08 . 1 . . . . 37 ILE Cg2 . 25770 1 394 . 1 1 37 37 ILE N N 15 123.327 0.06 . 1 . . . . 37 ILE N . 25770 1 395 . 1 1 38 38 GLU H H 1 8.193 0.01 . 1 . . . . 38 GLU H . 25770 1 396 . 1 1 38 38 GLU HA H 1 4.645 0.01 . 1 . . . . 38 GLU Ha . 25770 1 397 . 1 1 38 38 GLU HB2 H 1 1.980 0.01 . 2 . . . . 38 GLU Hb2 . 25770 1 398 . 1 1 38 38 GLU HB3 H 1 1.820 0.01 . 2 . . . . 38 GLU Hb3 . 25770 1 399 . 1 1 38 38 GLU C C 13 174.337 0.08 . 1 . . . . 38 GLU C . 25770 1 400 . 1 1 38 38 GLU CA C 13 54.940 0.08 . 1 . . . . 38 GLU Ca . 25770 1 401 . 1 1 38 38 GLU CB C 13 33.750 0.08 . 1 . . . . 38 GLU Cb . 25770 1 402 . 1 1 38 38 GLU N N 15 120.643 0.06 . 1 . . . . 38 GLU N . 25770 1 403 . 1 1 39 39 ARG H H 1 8.975 0.01 . 1 . . . . 39 ARG H . 25770 1 404 . 1 1 39 39 ARG HA H 1 3.367 0.01 . 1 . . . . 39 ARG Ha . 25770 1 405 . 1 1 39 39 ARG HB2 H 1 1.490 0.01 . 2 . . . . 39 ARG Hb2 . 25770 1 406 . 1 1 39 39 ARG HB3 H 1 1.009 0.01 . 2 . . . . 39 ARG Hb3 . 25770 1 407 . 1 1 39 39 ARG HG2 H 1 1.226 0.01 . 2 . . . . 39 ARG Hg2 . 25770 1 408 . 1 1 39 39 ARG HG3 H 1 0.796 0.01 . 2 . . . . 39 ARG Hg3 . 25770 1 409 . 1 1 39 39 ARG C C 13 176.340 0.08 . 1 . . . . 39 ARG C . 25770 1 410 . 1 1 39 39 ARG CA C 13 58.041 0.08 . 1 . . . . 39 ARG Ca . 25770 1 411 . 1 1 39 39 ARG CB C 13 29.474 0.08 . 1 . . . . 39 ARG Cb . 25770 1 412 . 1 1 39 39 ARG CG C 13 28.871 0.08 . 1 . . . . 39 ARG Cg . 25770 1 413 . 1 1 39 39 ARG N N 15 126.694 0.06 . 1 . . . . 39 ARG N . 25770 1 414 . 1 1 40 40 VAL H H 1 8.781 0.01 . 1 . . . . 40 VAL H . 25770 1 415 . 1 1 40 40 VAL HA H 1 4.421 0.01 . 1 . . . . 40 VAL Ha . 25770 1 416 . 1 1 40 40 VAL HB H 1 2.100 0.01 . 1 . . . . 40 VAL Hb . 25770 1 417 . 1 1 40 40 VAL HG11 H 1 0.848 0.01 . 2 . . . . 40 VAL Hg1* . 25770 1 418 . 1 1 40 40 VAL HG12 H 1 0.848 0.01 . 2 . . . . 40 VAL Hg1* . 25770 1 419 . 1 1 40 40 VAL HG13 H 1 0.848 0.01 . 2 . . . . 40 VAL Hg1* . 25770 1 420 . 1 1 40 40 VAL HG21 H 1 0.788 0.01 . 2 . . . . 40 VAL Hg2* . 25770 1 421 . 1 1 40 40 VAL HG22 H 1 0.788 0.01 . 2 . . . . 40 VAL Hg2* . 25770 1 422 . 1 1 40 40 VAL HG23 H 1 0.788 0.01 . 2 . . . . 40 VAL Hg2* . 25770 1 423 . 1 1 40 40 VAL C C 13 175.333 0.08 . 1 . . . . 40 VAL C . 25770 1 424 . 1 1 40 40 VAL CA C 13 62.106 0.08 . 1 . . . . 40 VAL Ca . 25770 1 425 . 1 1 40 40 VAL CB C 13 34.394 0.08 . 1 . . . . 40 VAL Cb . 25770 1 426 . 1 1 40 40 VAL CG1 C 13 22.254 0.08 . 2 . . . . 40 VAL Cg1 . 25770 1 427 . 1 1 40 40 VAL CG2 C 13 20.214 0.08 . 2 . . . . 40 VAL Cg2 . 25770 1 428 . 1 1 40 40 VAL N N 15 122.195 0.06 . 1 . . . . 40 VAL N . 25770 1 429 . 1 1 41 41 LYS H H 1 8.121 0.01 . 1 . . . . 41 LYS H . 25770 1 430 . 1 1 41 41 LYS HA H 1 4.596 0.01 . 1 . . . . 41 LYS Ha . 25770 1 431 . 1 1 41 41 LYS HB2 H 1 2.098 0.01 . 2 . . . . 41 LYS Hb2 . 25770 1 432 . 1 1 41 41 LYS HB3 H 1 1.924 0.01 . 2 . . . . 41 LYS Hb3 . 25770 1 433 . 1 1 41 41 LYS C C 13 173.464 0.08 . 1 . . . . 41 LYS C . 25770 1 434 . 1 1 41 41 LYS CA C 13 53.616 0.08 . 1 . . . . 41 LYS Ca . 25770 1 435 . 1 1 41 41 LYS CB C 13 37.243 0.08 . 1 . . . . 41 LYS Cb . 25770 1 436 . 1 1 41 41 LYS N N 15 121.770 0.06 . 1 . . . . 41 LYS N . 25770 1 437 . 1 1 42 42 ASP H H 1 7.908 0.01 . 1 . . . . 42 ASP H . 25770 1 438 . 1 1 42 42 ASP HA H 1 4.675 0.01 . 1 . . . . 42 ASP Ha . 25770 1 439 . 1 1 42 42 ASP HB2 H 1 2.547 0.01 . 2 . . . . 42 ASP Hb2 . 25770 1 440 . 1 1 42 42 ASP HB3 H 1 2.290 0.01 . 2 . . . . 42 ASP Hb3 . 25770 1 441 . 1 1 42 42 ASP C C 13 175.298 0.08 . 1 . . . . 42 ASP C . 25770 1 442 . 1 1 42 42 ASP CA C 13 52.693 0.08 . 1 . . . . 42 ASP Ca . 25770 1 443 . 1 1 42 42 ASP CB C 13 41.600 0.08 . 1 . . . . 42 ASP Cb . 25770 1 444 . 1 1 42 42 ASP N N 15 119.353 0.06 . 1 . . . . 42 ASP N . 25770 1 445 . 1 1 43 43 ARG H H 1 9.100 0.01 . 1 . . . . 43 ARG H . 25770 1 446 . 1 1 43 43 ARG CA C 13 57.000 0.08 . 1 . . . . 43 ARG Ca . 25770 1 447 . 1 1 43 43 ARG N N 15 120.781 0.06 . 1 . . . . 43 ARG N . 25770 1 448 . 1 1 44 44 LYS C C 13 176.252 0.08 . 1 . . . . 44 LYS C . 25770 1 449 . 1 1 44 44 LYS CA C 13 55.805 0.08 . 1 . . . . 44 LYS Ca . 25770 1 450 . 1 1 44 44 LYS CB C 13 32.458 0.08 . 1 . . . . 44 LYS Cb . 25770 1 451 . 1 1 45 45 ILE H H 1 8.614 0.01 . 1 . . . . 45 ILE H . 25770 1 452 . 1 1 45 45 ILE HA H 1 4.132 0.01 . 1 . . . . 45 ILE Ha . 25770 1 453 . 1 1 45 45 ILE HB H 1 1.916 0.01 . 1 . . . . 45 ILE Hb . 25770 1 454 . 1 1 45 45 ILE HD11 H 1 0.779 0.01 . 1 . . . . 45 ILE Hd1* . 25770 1 455 . 1 1 45 45 ILE HD12 H 1 0.779 0.01 . 1 . . . . 45 ILE Hd1* . 25770 1 456 . 1 1 45 45 ILE HD13 H 1 0.779 0.01 . 1 . . . . 45 ILE Hd1* . 25770 1 457 . 1 1 45 45 ILE HG12 H 1 1.499 0.01 . 2 . . . . 45 ILE Hg12 . 25770 1 458 . 1 1 45 45 ILE HG13 H 1 1.439 0.01 . 2 . . . . 45 ILE Hg13 . 25770 1 459 . 1 1 45 45 ILE HG21 H 1 0.773 0.01 . 1 . . . . 45 ILE Hg2* . 25770 1 460 . 1 1 45 45 ILE HG22 H 1 0.773 0.01 . 1 . . . . 45 ILE Hg2* . 25770 1 461 . 1 1 45 45 ILE HG23 H 1 0.773 0.01 . 1 . . . . 45 ILE Hg2* . 25770 1 462 . 1 1 45 45 ILE CA C 13 57.517 0.08 . 1 . . . . 45 ILE Ca . 25770 1 463 . 1 1 45 45 ILE CB C 13 36.814 0.08 . 1 . . . . 45 ILE Cb . 25770 1 464 . 1 1 45 45 ILE CD1 C 13 11.521 0.08 . 1 . . . . 45 ILE Cd1 . 25770 1 465 . 1 1 45 45 ILE CG1 C 13 27.976 0.08 . 1 . . . . 45 ILE Cg1 . 25770 1 466 . 1 1 45 45 ILE CG2 C 13 18.620 0.08 . 1 . . . . 45 ILE Cg2 . 25770 1 467 . 1 1 45 45 ILE N N 15 125.404 0.06 . 1 . . . . 45 ILE N . 25770 1 468 . 1 1 46 46 PRO HA H 1 4.492 0.01 . 1 . . . . 46 PRO Ha . 25770 1 469 . 1 1 46 46 PRO HB2 H 1 2.028 0.01 . 2 . . . . 46 PRO Hb2 . 25770 1 470 . 1 1 46 46 PRO HB3 H 1 1.792 0.01 . 2 . . . . 46 PRO Hb3 . 25770 1 471 . 1 1 46 46 PRO HD2 H 1 3.731 0.01 . 2 . . . . 46 PRO HD2 . 25770 1 472 . 1 1 46 46 PRO HD3 H 1 3.195 0.01 . 2 . . . . 46 PRO HD3 . 25770 1 473 . 1 1 46 46 PRO HG2 H 1 1.571 0.01 . 2 . . . . 46 PRO Hg2 . 25770 1 474 . 1 1 46 46 PRO HG3 H 1 1.100 0.01 . 2 . . . . 46 PRO Hg3 . 25770 1 475 . 1 1 46 46 PRO C C 13 175.870 0.08 . 1 . . . . 46 PRO C . 25770 1 476 . 1 1 46 46 PRO CA C 13 62.497 0.08 . 1 . . . . 46 PRO Ca . 25770 1 477 . 1 1 46 46 PRO CB C 13 31.826 0.08 . 1 . . . . 46 PRO Cb . 25770 1 478 . 1 1 46 46 PRO CD C 13 50.663 0.08 . 1 . . . . 46 PRO Cd . 25770 1 479 . 1 1 46 46 PRO CG C 13 27.585 0.08 . 1 . . . . 46 PRO Cg . 25770 1 480 . 1 1 47 47 SER H H 1 7.109 0.01 . 1 . . . . 47 SER H . 25770 1 481 . 1 1 47 47 SER HA H 1 4.765 0.01 . 1 . . . . 47 SER Ha . 25770 1 482 . 1 1 47 47 SER N N 15 107.647 0.06 . 1 . . . . 47 SER N . 25770 1 483 . 1 1 48 48 THR HA H 1 4.061 0.01 . 1 . . . . 48 THR Ha . 25770 1 484 . 1 1 48 48 THR HB H 1 4.247 0.01 . 1 . . . . 48 THR Hb . 25770 1 485 . 1 1 48 48 THR HG21 H 1 1.279 0.01 . 1 . . . . 48 THR Hg2* . 25770 1 486 . 1 1 48 48 THR HG22 H 1 1.279 0.01 . 1 . . . . 48 THR Hg2* . 25770 1 487 . 1 1 48 48 THR HG23 H 1 1.279 0.01 . 1 . . . . 48 THR Hg2* . 25770 1 488 . 1 1 48 48 THR C C 13 175.503 0.08 . 1 . . . . 48 THR C . 25770 1 489 . 1 1 48 48 THR CA C 13 63.570 0.08 . 1 . . . . 48 THR Ca . 25770 1 490 . 1 1 48 48 THR CB C 13 68.467 0.08 . 1 . . . . 48 THR Cb . 25770 1 491 . 1 1 48 48 THR CG2 C 13 22.699 0.08 . 1 . . . . 48 THR Cg2 . 25770 1 492 . 1 1 49 49 LEU H H 1 7.125 0.01 . 1 . . . . 49 LEU H . 25770 1 493 . 1 1 49 49 LEU HA H 1 4.539 0.01 . 1 . . . . 49 LEU Ha . 25770 1 494 . 1 1 49 49 LEU HB2 H 1 1.487 0.01 . 2 . . . . 49 LEU Hb* . 25770 1 495 . 1 1 49 49 LEU HB3 H 1 1.487 0.01 . 2 . . . . 49 LEU Hb* . 25770 1 496 . 1 1 49 49 LEU HD11 H 1 0.641 0.01 . 2 . . . . 49 LEU Hd1* . 25770 1 497 . 1 1 49 49 LEU HD12 H 1 0.641 0.01 . 2 . . . . 49 LEU Hd1* . 25770 1 498 . 1 1 49 49 LEU HD13 H 1 0.641 0.01 . 2 . . . . 49 LEU Hd1* . 25770 1 499 . 1 1 49 49 LEU HD21 H 1 0.445 0.01 . 2 . . . . 49 LEU Hd2* . 25770 1 500 . 1 1 49 49 LEU HD22 H 1 0.445 0.01 . 2 . . . . 49 LEU Hd2* . 25770 1 501 . 1 1 49 49 LEU HD23 H 1 0.445 0.01 . 2 . . . . 49 LEU Hd2* . 25770 1 502 . 1 1 49 49 LEU C C 13 175.285 0.08 . 1 . . . . 49 LEU C . 25770 1 503 . 1 1 49 49 LEU CA C 13 55.297 0.08 . 1 . . . . 49 LEU Ca . 25770 1 504 . 1 1 49 49 LEU CB C 13 43.034 0.08 . 1 . . . . 49 LEU Cb . 25770 1 505 . 1 1 49 49 LEU CD1 C 13 23.152 0.08 . 2 . . . . 49 LEU Cd1 . 25770 1 506 . 1 1 49 49 LEU CD2 C 13 25.912 0.08 . 2 . . . . 49 LEU Cd2 . 25770 1 507 . 1 1 49 49 LEU N N 15 116.921 0.06 . 1 . . . . 49 LEU N . 25770 1 508 . 1 1 50 50 VAL H H 1 7.046 0.01 . 1 . . . . 50 VAL H . 25770 1 509 . 1 1 50 50 VAL HA H 1 3.841 0.01 . 1 . . . . 50 VAL Ha . 25770 1 510 . 1 1 50 50 VAL HB H 1 2.006 0.01 . 1 . . . . 50 VAL Hb . 25770 1 511 . 1 1 50 50 VAL HG11 H 1 0.903 0.01 . 2 . . . . 50 VAL Hg1* . 25770 1 512 . 1 1 50 50 VAL HG12 H 1 0.903 0.01 . 2 . . . . 50 VAL Hg1* . 25770 1 513 . 1 1 50 50 VAL HG13 H 1 0.903 0.01 . 2 . . . . 50 VAL Hg1* . 25770 1 514 . 1 1 50 50 VAL HG21 H 1 0.819 0.01 . 2 . . . . 50 VAL Hg2* . 25770 1 515 . 1 1 50 50 VAL HG22 H 1 0.819 0.01 . 2 . . . . 50 VAL Hg2* . 25770 1 516 . 1 1 50 50 VAL HG23 H 1 0.819 0.01 . 2 . . . . 50 VAL Hg2* . 25770 1 517 . 1 1 50 50 VAL C C 13 176.093 0.08 . 1 . . . . 50 VAL C . 25770 1 518 . 1 1 50 50 VAL CA C 13 63.720 0.08 . 1 . . . . 50 VAL Ca . 25770 1 519 . 1 1 50 50 VAL CB C 13 33.478 0.08 . 1 . . . . 50 VAL Cb . 25770 1 520 . 1 1 50 50 VAL CG1 C 13 21.913 0.08 . 2 . . . . 50 VAL Cg1 . 25770 1 521 . 1 1 50 50 VAL CG2 C 13 22.005 0.08 . 2 . . . . 50 VAL Cg2 . 25770 1 522 . 1 1 50 50 VAL N N 15 116.812 0.06 . 1 . . . . 50 VAL N . 25770 1 523 . 1 1 51 51 LYS H H 1 7.801 0.01 . 1 . . . . 51 LYS H . 25770 1 524 . 1 1 51 51 LYS HA H 1 4.232 0.01 . 1 . . . . 51 LYS Ha . 25770 1 525 . 1 1 51 51 LYS N N 15 120.590 0.06 . 1 . . . . 51 LYS N . 25770 1 526 . 1 1 52 52 PRO HA H 1 4.169 0.01 . 1 . . . . 52 PRO Ha . 25770 1 527 . 1 1 52 52 PRO HD2 H 1 3.608 0.01 . 2 . . . . 52 PRO HD2 . 25770 1 528 . 1 1 52 52 PRO HD3 H 1 2.940 0.01 . 2 . . . . 52 PRO HD3 . 25770 1 529 . 1 1 52 52 PRO C C 13 175.949 0.08 . 1 . . . . 52 PRO C . 25770 1 530 . 1 1 52 52 PRO CA C 13 63.905 0.08 . 1 . . . . 52 PRO Ca . 25770 1 531 . 1 1 52 52 PRO CB C 13 30.406 0.08 . 1 . . . . 52 PRO Cb . 25770 1 532 . 1 1 52 52 PRO CD C 13 51.421 0.08 . 1 . . . . 52 PRO Cd . 25770 1 533 . 1 1 53 53 ASN H H 1 7.813 0.01 . 1 . . . . 53 ASN H . 25770 1 534 . 1 1 53 53 ASN HA H 1 4.514 0.01 . 1 . . . . 53 ASN Ha . 25770 1 535 . 1 1 53 53 ASN HB2 H 1 2.877 0.01 . 2 . . . . 53 ASN Hb2 . 25770 1 536 . 1 1 53 53 ASN HB3 H 1 2.569 0.01 . 2 . . . . 53 ASN Hb3 . 25770 1 537 . 1 1 53 53 ASN HD21 H 1 7.456 0.01 . 2 . . . . 53 ASN Hd21 . 25770 1 538 . 1 1 53 53 ASN HD22 H 1 6.700 0.01 . 2 . . . . 53 ASN Hd22 . 25770 1 539 . 1 1 53 53 ASN C C 13 175.068 0.08 . 1 . . . . 53 ASN C . 25770 1 540 . 1 1 53 53 ASN CA C 13 53.225 0.08 . 1 . . . . 53 ASN Ca . 25770 1 541 . 1 1 53 53 ASN CB C 13 37.022 0.08 . 1 . . . . 53 ASN Cb . 25770 1 542 . 1 1 53 53 ASN N N 15 115.163 0.06 . 1 . . . . 53 ASN N . 25770 1 543 . 1 1 53 53 ASN ND2 N 15 111.954 0.06 . 1 . . . . 53 ASN Nd2 . 25770 1 544 . 1 1 54 54 TYR H H 1 7.808 0.01 . 1 . . . . 54 TYR H . 25770 1 545 . 1 1 54 54 TYR HA H 1 4.662 0.01 . 1 . . . . 54 TYR Ha . 25770 1 546 . 1 1 54 54 TYR HB2 H 1 3.252 0.01 . 2 . . . . 54 TYR Hb2 . 25770 1 547 . 1 1 54 54 TYR HB3 H 1 2.724 0.01 . 2 . . . . 54 TYR Hb3 . 25770 1 548 . 1 1 54 54 TYR HD1 H 1 7.087 0.01 . 3 . . . . 54 TYR Hd* . 25770 1 549 . 1 1 54 54 TYR HD2 H 1 7.087 0.01 . 3 . . . . 54 TYR Hd* . 25770 1 550 . 1 1 54 54 TYR C C 13 177.826 0.08 . 1 . . . . 54 TYR C . 25770 1 551 . 1 1 54 54 TYR CA C 13 57.567 0.08 . 1 . . . . 54 TYR Ca . 25770 1 552 . 1 1 54 54 TYR CB C 13 39.250 0.08 . 1 . . . . 54 TYR Cb . 25770 1 553 . 1 1 54 54 TYR CD1 C 13 132.053 0.08 . 3 . . . . 54 TYR Cd . 25770 1 554 . 1 1 54 54 TYR CD2 C 13 132.053 0.08 . 3 . . . . 54 TYR Cd . 25770 1 555 . 1 1 54 54 TYR N N 15 119.296 0.06 . 1 . . . . 54 TYR N . 25770 1 556 . 1 1 55 55 SER H H 1 9.157 0.01 . 1 . . . . 55 SER H . 25770 1 557 . 1 1 55 55 SER HA H 1 4.494 0.01 . 1 . . . . 55 SER Ha . 25770 1 558 . 1 1 55 55 SER HB2 H 1 4.343 0.01 . 2 . . . . 55 SER Hb2 . 25770 1 559 . 1 1 55 55 SER HB3 H 1 4.133 0.01 . 2 . . . . 55 SER Hb3 . 25770 1 560 . 1 1 55 55 SER C C 13 174.316 0.08 . 1 . . . . 55 SER C . 25770 1 561 . 1 1 55 55 SER CA C 13 58.060 0.08 . 1 . . . . 55 SER Ca . 25770 1 562 . 1 1 55 55 SER CB C 13 64.566 0.08 . 1 . . . . 55 SER Cb . 25770 1 563 . 1 1 55 55 SER N N 15 118.695 0.06 . 1 . . . . 55 SER N . 25770 1 564 . 1 1 56 56 HIS H H 1 9.016 0.01 . 1 . . . . 56 HIS H . 25770 1 565 . 1 1 56 56 HIS HA H 1 4.105 0.01 . 1 . . . . 56 HIS Ha . 25770 1 566 . 1 1 56 56 HIS HB2 H 1 3.280 0.01 . 2 . . . . 56 HIS Hb2 . 25770 1 567 . 1 1 56 56 HIS HB3 H 1 2.981 0.01 . 2 . . . . 56 HIS Hb3 . 25770 1 568 . 1 1 56 56 HIS HD2 H 1 6.807 0.01 . 1 . . . . 56 HIS Hd2 . 25770 1 569 . 1 1 56 56 HIS C C 13 175.932 0.08 . 1 . . . . 56 HIS C . 25770 1 570 . 1 1 56 56 HIS CA C 13 62.155 0.08 . 1 . . . . 56 HIS Ca . 25770 1 571 . 1 1 56 56 HIS CB C 13 31.791 0.08 . 1 . . . . 56 HIS Cb . 25770 1 572 . 1 1 56 56 HIS N N 15 121.624 0.06 . 1 . . . . 56 HIS N . 25770 1 573 . 1 1 57 57 GLU H H 1 9.094 0.01 . 1 . . . . 57 GLU H . 25770 1 574 . 1 1 57 57 GLU HA H 1 3.561 0.01 . 1 . . . . 57 GLU Ha . 25770 1 575 . 1 1 57 57 GLU HB2 H 1 2.013 0.01 . 2 . . . . 57 GLU Hb* . 25770 1 576 . 1 1 57 57 GLU HB3 H 1 2.013 0.01 . 2 . . . . 57 GLU Hb* . 25770 1 577 . 1 1 57 57 GLU C C 13 177.966 0.08 . 1 . . . . 57 GLU C . 25770 1 578 . 1 1 57 57 GLU CA C 13 61.589 0.08 . 1 . . . . 57 GLU Ca . 25770 1 579 . 1 1 57 57 GLU CB C 13 28.681 0.08 . 1 . . . . 57 GLU Cb . 25770 1 580 . 1 1 57 57 GLU N N 15 114.487 0.06 . 1 . . . . 57 GLU N . 25770 1 581 . 1 1 58 58 GLU H H 1 7.361 0.01 . 1 . . . . 58 GLU H . 25770 1 582 . 1 1 58 58 GLU HA H 1 3.942 0.01 . 1 . . . . 58 GLU Ha . 25770 1 583 . 1 1 58 58 GLU HB2 H 1 2.171 0.01 . 2 . . . . 58 GLU Hb2 . 25770 1 584 . 1 1 58 58 GLU HB3 H 1 1.821 0.01 . 2 . . . . 58 GLU Hb3 . 25770 1 585 . 1 1 58 58 GLU C C 13 178.571 0.08 . 1 . . . . 58 GLU C . 25770 1 586 . 1 1 58 58 GLU CA C 13 58.624 0.08 . 1 . . . . 58 GLU Ca . 25770 1 587 . 1 1 58 58 GLU CB C 13 30.009 0.08 . 1 . . . . 58 GLU Cb . 25770 1 588 . 1 1 58 58 GLU N N 15 117.777 0.06 . 1 . . . . 58 GLU N . 25770 1 589 . 1 1 59 59 LEU H H 1 8.585 0.01 . 1 . . . . 59 LEU H . 25770 1 590 . 1 1 59 59 LEU HA H 1 3.656 0.01 . 1 . . . . 59 LEU Ha . 25770 1 591 . 1 1 59 59 LEU HB2 H 1 2.101 0.01 . 2 . . . . 59 LEU Hb2 . 25770 1 592 . 1 1 59 59 LEU HB3 H 1 1.612 0.01 . 2 . . . . 59 LEU Hb3 . 25770 1 593 . 1 1 59 59 LEU HD11 H 1 1.072 0.01 . 2 . . . . 59 LEU Hd1* . 25770 1 594 . 1 1 59 59 LEU HD12 H 1 1.072 0.01 . 2 . . . . 59 LEU Hd1* . 25770 1 595 . 1 1 59 59 LEU HD13 H 1 1.072 0.01 . 2 . . . . 59 LEU Hd1* . 25770 1 596 . 1 1 59 59 LEU HD21 H 1 0.905 0.01 . 2 . . . . 59 LEU Hd2* . 25770 1 597 . 1 1 59 59 LEU HD22 H 1 0.905 0.01 . 2 . . . . 59 LEU Hd2* . 25770 1 598 . 1 1 59 59 LEU HD23 H 1 0.905 0.01 . 2 . . . . 59 LEU Hd2* . 25770 1 599 . 1 1 59 59 LEU HG H 1 1.420 0.01 . 1 . . . . 59 LEU Hg . 25770 1 600 . 1 1 59 59 LEU C C 13 178.254 0.08 . 1 . . . . 59 LEU C . 25770 1 601 . 1 1 59 59 LEU CA C 13 58.057 0.08 . 1 . . . . 59 LEU Ca . 25770 1 602 . 1 1 59 59 LEU CB C 13 41.066 0.08 . 1 . . . . 59 LEU Cb . 25770 1 603 . 1 1 59 59 LEU CD1 C 13 24.403 0.08 . 2 . . . . 59 LEU Cd1 . 25770 1 604 . 1 1 59 59 LEU CD2 C 13 26.598 0.08 . 2 . . . . 59 LEU Cd2 . 25770 1 605 . 1 1 59 59 LEU N N 15 120.596 0.06 . 1 . . . . 59 LEU N . 25770 1 606 . 1 1 60 60 ILE H H 1 7.381 0.01 . 1 . . . . 60 ILE H . 25770 1 607 . 1 1 60 60 ILE HA H 1 3.360 0.01 . 1 . . . . 60 ILE Ha . 25770 1 608 . 1 1 60 60 ILE HB H 1 1.910 0.01 . 1 . . . . 60 ILE Hb . 25770 1 609 . 1 1 60 60 ILE HD11 H 1 0.379 0.01 . 1 . . . . 60 ILE Hd1* . 25770 1 610 . 1 1 60 60 ILE HD12 H 1 0.379 0.01 . 1 . . . . 60 ILE Hd1* . 25770 1 611 . 1 1 60 60 ILE HD13 H 1 0.379 0.01 . 1 . . . . 60 ILE Hd1* . 25770 1 612 . 1 1 60 60 ILE HG12 H 1 1.461 0.01 . 2 . . . . 60 ILE Hg12 . 25770 1 613 . 1 1 60 60 ILE HG13 H 1 0.790 0.01 . 2 . . . . 60 ILE Hg13 . 25770 1 614 . 1 1 60 60 ILE HG21 H 1 0.742 0.01 . 1 . . . . 60 ILE Hg2* . 25770 1 615 . 1 1 60 60 ILE HG22 H 1 0.742 0.01 . 1 . . . . 60 ILE Hg2* . 25770 1 616 . 1 1 60 60 ILE HG23 H 1 0.742 0.01 . 1 . . . . 60 ILE Hg2* . 25770 1 617 . 1 1 60 60 ILE C C 13 177.275 0.08 . 1 . . . . 60 ILE C . 25770 1 618 . 1 1 60 60 ILE CA C 13 62.452 0.08 . 1 . . . . 60 ILE Ca . 25770 1 619 . 1 1 60 60 ILE CB C 13 34.542 0.08 . 1 . . . . 60 ILE Cb . 25770 1 620 . 1 1 60 60 ILE CD1 C 13 9.232 0.08 . 1 . . . . 60 ILE Cd1 . 25770 1 621 . 1 1 60 60 ILE CG1 C 13 26.146 0.08 . 1 . . . . 60 ILE Cg1 . 25770 1 622 . 1 1 60 60 ILE CG2 C 13 18.106 0.08 . 1 . . . . 60 ILE Cg2 . 25770 1 623 . 1 1 60 60 ILE N N 15 115.767 0.06 . 1 . . . . 60 ILE N . 25770 1 624 . 1 1 61 61 ASP H H 1 7.356 0.01 . 1 . . . . 61 ASP H . 25770 1 625 . 1 1 61 61 ASP HA H 1 4.303 0.01 . 1 . . . . 61 ASP Ha . 25770 1 626 . 1 1 61 61 ASP HB2 H 1 2.520 0.01 . 2 . . . . 61 ASP Hb* . 25770 1 627 . 1 1 61 61 ASP HB3 H 1 2.520 0.01 . 2 . . . . 61 ASP Hb* . 25770 1 628 . 1 1 61 61 ASP C C 13 179.946 0.08 . 1 . . . . 61 ASP C . 25770 1 629 . 1 1 61 61 ASP CA C 13 58.074 0.08 . 1 . . . . 61 ASP Ca . 25770 1 630 . 1 1 61 61 ASP CB C 13 39.673 0.08 . 1 . . . . 61 ASP Cb . 25770 1 631 . 1 1 61 61 ASP N N 15 118.835 0.06 . 1 . . . . 61 ASP N . 25770 1 632 . 1 1 62 62 MET H H 1 8.578 0.01 . 1 . . . . 62 MET H . 25770 1 633 . 1 1 62 62 MET HA H 1 4.238 0.01 . 1 . . . . 62 MET Ha . 25770 1 634 . 1 1 62 62 MET HB2 H 1 2.187 0.01 . 2 . . . . 62 MET Hb* . 25770 1 635 . 1 1 62 62 MET HB3 H 1 2.187 0.01 . 2 . . . . 62 MET Hb* . 25770 1 636 . 1 1 62 62 MET HE1 H 1 1.884 0.01 . 1 . . . . 62 MET He* . 25770 1 637 . 1 1 62 62 MET HE2 H 1 1.884 0.01 . 1 . . . . 62 MET He* . 25770 1 638 . 1 1 62 62 MET HE3 H 1 1.884 0.01 . 1 . . . . 62 MET He* . 25770 1 639 . 1 1 62 62 MET HG2 H 1 2.291 0.01 . 2 . . . . 62 MET Hg* . 25770 1 640 . 1 1 62 62 MET HG3 H 1 2.291 0.01 . 2 . . . . 62 MET Hg* . 25770 1 641 . 1 1 62 62 MET C C 13 179.313 0.08 . 1 . . . . 62 MET C . 25770 1 642 . 1 1 62 62 MET CA C 13 56.878 0.08 . 1 . . . . 62 MET Ca . 25770 1 643 . 1 1 62 62 MET CB C 13 31.488 0.08 . 1 . . . . 62 MET Cb . 25770 1 644 . 1 1 62 62 MET CE C 13 16.824 0.08 . 1 . . . . 62 MET Ce . 25770 1 645 . 1 1 62 62 MET CG C 13 31.838 0.08 . 1 . . . . 62 MET Cg . 25770 1 646 . 1 1 62 62 MET N N 15 120.244 0.06 . 1 . . . . 62 MET N . 25770 1 647 . 1 1 63 63 LEU H H 1 8.843 0.01 . 1 . . . . 63 LEU H . 25770 1 648 . 1 1 63 63 LEU HA H 1 4.034 0.01 . 1 . . . . 63 LEU Ha . 25770 1 649 . 1 1 63 63 LEU HB2 H 1 1.273 0.01 . 2 . . . . 63 LEU Hb2 . 25770 1 650 . 1 1 63 63 LEU HB3 H 1 2.067 0.01 . 2 . . . . 63 LEU Hb3 . 25770 1 651 . 1 1 63 63 LEU HD11 H 1 0.733 0.01 . 2 . . . . 63 LEU Hd1* . 25770 1 652 . 1 1 63 63 LEU HD12 H 1 0.733 0.01 . 2 . . . . 63 LEU Hd1* . 25770 1 653 . 1 1 63 63 LEU HD13 H 1 0.733 0.01 . 2 . . . . 63 LEU Hd1* . 25770 1 654 . 1 1 63 63 LEU HD21 H 1 0.571 0.01 . 2 . . . . 63 LEU Hd2* . 25770 1 655 . 1 1 63 63 LEU HD22 H 1 0.571 0.01 . 2 . . . . 63 LEU Hd2* . 25770 1 656 . 1 1 63 63 LEU HD23 H 1 0.571 0.01 . 2 . . . . 63 LEU Hd2* . 25770 1 657 . 1 1 63 63 LEU HG H 1 1.376 0.01 . 1 . . . . 63 LEU Hg . 25770 1 658 . 1 1 63 63 LEU C C 13 177.857 0.08 . 1 . . . . 63 LEU C . 25770 1 659 . 1 1 63 63 LEU CA C 13 57.835 0.08 . 1 . . . . 63 LEU Ca . 25770 1 660 . 1 1 63 63 LEU CB C 13 41.190 0.08 . 1 . . . . 63 LEU Cb . 25770 1 661 . 1 1 63 63 LEU CD1 C 13 25.903 0.08 . 2 . . . . 63 LEU Cd1 . 25770 1 662 . 1 1 63 63 LEU CD2 C 13 27.015 0.08 . 2 . . . . 63 LEU Cd2 . 25770 1 663 . 1 1 63 63 LEU CG C 13 27.671 0.08 . 1 . . . . 63 LEU Cg . 25770 1 664 . 1 1 63 63 LEU N N 15 124.022 0.06 . 1 . . . . 63 LEU N . 25770 1 665 . 1 1 64 64 ILE HA H 1 3.444 0.01 . 1 . . . . 64 ILE Ha . 25770 1 666 . 1 1 64 64 ILE HB H 1 1.940 0.01 . 1 . . . . 64 ILE Hb . 25770 1 667 . 1 1 64 64 ILE HD11 H 1 0.738 0.01 . 1 . . . . 64 ILE Hd1* . 25770 1 668 . 1 1 64 64 ILE HD12 H 1 0.738 0.01 . 1 . . . . 64 ILE Hd1* . 25770 1 669 . 1 1 64 64 ILE HD13 H 1 0.738 0.01 . 1 . . . . 64 ILE Hd1* . 25770 1 670 . 1 1 64 64 ILE HG21 H 1 0.836 0.01 . 1 . . . . 64 ILE Hg2* . 25770 1 671 . 1 1 64 64 ILE HG22 H 1 0.836 0.01 . 1 . . . . 64 ILE Hg2* . 25770 1 672 . 1 1 64 64 ILE HG23 H 1 0.836 0.01 . 1 . . . . 64 ILE Hg2* . 25770 1 673 . 1 1 64 64 ILE C C 13 177.959 0.08 . 1 . . . . 64 ILE C . 25770 1 674 . 1 1 64 64 ILE CA C 13 65.830 0.08 . 1 . . . . 64 ILE Ca . 25770 1 675 . 1 1 64 64 ILE CB C 13 37.262 0.08 . 1 . . . . 64 ILE Cb . 25770 1 676 . 1 1 64 64 ILE CD1 C 13 13.691 0.08 . 1 . . . . 64 ILE Cd1 . 25770 1 677 . 1 1 64 64 ILE CG2 C 13 17.088 0.08 . 1 . . . . 64 ILE Cg2 . 25770 1 678 . 1 1 65 65 GLY H H 1 7.599 0.01 . 1 . . . . 65 GLY H . 25770 1 679 . 1 1 65 65 GLY HA2 H 1 3.801 0.01 . 2 . . . . 65 GLY Ha* . 25770 1 680 . 1 1 65 65 GLY HA3 H 1 3.801 0.01 . 2 . . . . 65 GLY Ha* . 25770 1 681 . 1 1 65 65 GLY C C 13 174.798 0.08 . 1 . . . . 65 GLY C . 25770 1 682 . 1 1 65 65 GLY CA C 13 47.340 0.08 . 1 . . . . 65 GLY Ca . 25770 1 683 . 1 1 65 65 GLY N N 15 104.801 0.06 . 1 . . . . 65 GLY N . 25770 1 684 . 1 1 66 66 TYR H H 1 8.180 0.01 . 1 . . . . 66 TYR H . 25770 1 685 . 1 1 66 66 TYR HA H 1 4.216 0.01 . 1 . . . . 66 TYR Ha . 25770 1 686 . 1 1 66 66 TYR HB2 H 1 3.161 0.01 . 2 . . . . 66 TYR Hb* . 25770 1 687 . 1 1 66 66 TYR HB3 H 1 3.161 0.01 . 2 . . . . 66 TYR Hb* . 25770 1 688 . 1 1 66 66 TYR HD1 H 1 6.989 0.01 . 3 . . . . 66 TYR Hd* . 25770 1 689 . 1 1 66 66 TYR HD2 H 1 6.989 0.01 . 3 . . . . 66 TYR Hd* . 25770 1 690 . 1 1 66 66 TYR C C 13 178.487 0.08 . 1 . . . . 66 TYR C . 25770 1 691 . 1 1 66 66 TYR CA C 13 61.517 0.08 . 1 . . . . 66 TYR Ca . 25770 1 692 . 1 1 66 66 TYR CB C 13 38.905 0.08 . 1 . . . . 66 TYR Cb . 25770 1 693 . 1 1 66 66 TYR N N 15 123.196 0.06 . 1 . . . . 66 TYR N . 25770 1 694 . 1 1 77 77 ILE HA H 1 4.181 0.01 . 1 . . . . 77 ILE Ha . 25770 1 695 . 1 1 77 77 ILE HB H 1 2.107 0.01 . 1 . . . . 77 ILE Hb . 25770 1 696 . 1 1 77 77 ILE HD11 H 1 0.905 0.01 . 1 . . . . 77 ILE Hd1* . 25770 1 697 . 1 1 77 77 ILE HD12 H 1 0.905 0.01 . 1 . . . . 77 ILE Hd1* . 25770 1 698 . 1 1 77 77 ILE HD13 H 1 0.905 0.01 . 1 . . . . 77 ILE Hd1* . 25770 1 699 . 1 1 77 77 ILE HG12 H 1 1.459 0.01 . 2 . . . . 77 ILE Hg12 . 25770 1 700 . 1 1 77 77 ILE HG13 H 1 1.256 0.01 . 2 . . . . 77 ILE Hg13 . 25770 1 701 . 1 1 77 77 ILE HG21 H 1 0.935 0.01 . 1 . . . . 77 ILE Hg2* . 25770 1 702 . 1 1 77 77 ILE HG22 H 1 0.935 0.01 . 1 . . . . 77 ILE Hg2* . 25770 1 703 . 1 1 77 77 ILE HG23 H 1 0.935 0.01 . 1 . . . . 77 ILE Hg2* . 25770 1 704 . 1 1 77 77 ILE CA C 13 61.219 0.08 . 1 . . . . 77 ILE Ca . 25770 1 705 . 1 1 77 77 ILE CB C 13 38.355 0.08 . 1 . . . . 77 ILE Cb . 25770 1 706 . 1 1 77 77 ILE CD1 C 13 13.651 0.08 . 1 . . . . 77 ILE Cd1 . 25770 1 707 . 1 1 77 77 ILE CG1 C 13 27.569 0.08 . 1 . . . . 77 ILE Cg1 . 25770 1 708 . 1 1 77 77 ILE CG2 C 13 19.158 0.08 . 1 . . . . 77 ILE Cg2 . 25770 1 709 . 1 1 78 78 ASN HA H 1 4.599 0.01 . 1 . . . . 78 ASN Ha . 25770 1 710 . 1 1 78 78 ASN HB2 H 1 3.067 0.01 . 2 . . . . 78 ASN Hb2 . 25770 1 711 . 1 1 78 78 ASN HB3 H 1 2.803 0.01 . 2 . . . . 78 ASN Hb3 . 25770 1 712 . 1 1 78 78 ASN C C 13 176.176 0.08 . 1 . . . . 78 ASN C . 25770 1 713 . 1 1 78 78 ASN CA C 13 58.258 0.08 . 1 . . . . 78 ASN Ca . 25770 1 714 . 1 1 78 78 ASN CB C 13 39.540 0.08 . 1 . . . . 78 ASN Cb . 25770 1 715 . 1 1 79 79 GLY H H 1 8.001 0.01 . 1 . . . . 79 GLY H . 25770 1 716 . 1 1 79 79 GLY HA2 H 1 3.928 0.01 . 2 . . . . 79 GLY Ha2 . 25770 1 717 . 1 1 79 79 GLY HA3 H 1 3.804 0.01 . 2 . . . . 79 GLY Ha3 . 25770 1 718 . 1 1 79 79 GLY C C 13 173.492 0.08 . 1 . . . . 79 GLY C . 25770 1 719 . 1 1 79 79 GLY CA C 13 45.543 0.08 . 1 . . . . 79 GLY Ca . 25770 1 720 . 1 1 79 79 GLY N N 15 107.776 0.06 . 1 . . . . 79 GLY N . 25770 1 721 . 1 1 80 80 LEU H H 1 8.128 0.01 . 1 . . . . 80 LEU H . 25770 1 722 . 1 1 80 80 LEU HA H 1 4.525 0.01 . 1 . . . . 80 LEU Ha . 25770 1 723 . 1 1 80 80 LEU HB2 H 1 1.690 0.01 . 2 . . . . 80 LEU Hb2 . 25770 1 724 . 1 1 80 80 LEU HB3 H 1 1.484 0.01 . 2 . . . . 80 LEU Hb3 . 25770 1 725 . 1 1 80 80 LEU HD11 H 1 0.870 0.01 . 2 . . . . 80 LEU Hd1* . 25770 1 726 . 1 1 80 80 LEU HD12 H 1 0.870 0.01 . 2 . . . . 80 LEU Hd1* . 25770 1 727 . 1 1 80 80 LEU HD13 H 1 0.870 0.01 . 2 . . . . 80 LEU Hd1* . 25770 1 728 . 1 1 80 80 LEU HD21 H 1 0.833 0.01 . 2 . . . . 80 LEU Hd2* . 25770 1 729 . 1 1 80 80 LEU HD22 H 1 0.833 0.01 . 2 . . . . 80 LEU Hd2* . 25770 1 730 . 1 1 80 80 LEU HD23 H 1 0.833 0.01 . 2 . . . . 80 LEU Hd2* . 25770 1 731 . 1 1 80 80 LEU C C 13 177.537 0.08 . 1 . . . . 80 LEU C . 25770 1 732 . 1 1 80 80 LEU CA C 13 54.960 0.08 . 1 . . . . 80 LEU Ca . 25770 1 733 . 1 1 80 80 LEU CB C 13 42.653 0.08 . 1 . . . . 80 LEU Cb . 25770 1 734 . 1 1 80 80 LEU CD1 C 13 25.832 0.08 . 2 . . . . 80 LEU Cd1 . 25770 1 735 . 1 1 80 80 LEU N N 15 120.314 0.06 . 1 . . . . 80 LEU N . 25770 1 736 . 1 1 81 81 VAL H H 1 8.347 0.01 . 1 . . . . 81 VAL H . 25770 1 737 . 1 1 81 81 VAL HA H 1 4.223 0.01 . 1 . . . . 81 VAL Ha . 25770 1 738 . 1 1 81 81 VAL HB H 1 2.153 0.01 . 1 . . . . 81 VAL Hb . 25770 1 739 . 1 1 81 81 VAL HG11 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 740 . 1 1 81 81 VAL HG12 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 741 . 1 1 81 81 VAL HG13 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 742 . 1 1 81 81 VAL HG21 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 743 . 1 1 81 81 VAL HG22 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 744 . 1 1 81 81 VAL HG23 H 1 0.937 0.01 . 2 . . . . 81 VAL Hg* . 25770 1 745 . 1 1 81 81 VAL C C 13 176.254 0.08 . 1 . . . . 81 VAL C . 25770 1 746 . 1 1 81 81 VAL CA C 13 62.136 0.08 . 1 . . . . 81 VAL Ca . 25770 1 747 . 1 1 81 81 VAL CB C 13 32.932 0.08 . 1 . . . . 81 VAL Cb . 25770 1 748 . 1 1 81 81 VAL CG1 C 13 21.110 0.08 . 2 . . . . 81 VAL Cg1 . 25770 1 749 . 1 1 81 81 VAL CG2 C 13 21.126 0.08 . 2 . . . . 81 VAL Cg2 . 25770 1 750 . 1 1 81 81 VAL N N 15 120.576 0.06 . 1 . . . . 81 VAL N . 25770 1 751 . 1 1 82 82 THR H H 1 8.221 0.01 . 1 . . . . 82 THR H . 25770 1 752 . 1 1 82 82 THR HA H 1 4.310 0.01 . 1 . . . . 82 THR Ha . 25770 1 753 . 1 1 82 82 THR HB H 1 4.231 0.01 . 1 . . . . 82 THR Hb . 25770 1 754 . 1 1 82 82 THR HG21 H 1 1.211 0.01 . 1 . . . . 82 THR Hg2* . 25770 1 755 . 1 1 82 82 THR HG22 H 1 1.211 0.01 . 1 . . . . 82 THR Hg2* . 25770 1 756 . 1 1 82 82 THR HG23 H 1 1.211 0.01 . 1 . . . . 82 THR Hg2* . 25770 1 757 . 1 1 82 82 THR C C 13 176.270 0.08 . 1 . . . . 82 THR C . 25770 1 758 . 1 1 82 82 THR CA C 13 62.529 0.08 . 1 . . . . 82 THR Ca . 25770 1 759 . 1 1 82 82 THR CB C 13 70.069 0.08 . 1 . . . . 82 THR Cb . 25770 1 760 . 1 1 82 82 THR CG2 C 13 21.661 0.08 . 1 . . . . 82 THR Cg2 . 25770 1 761 . 1 1 82 82 THR N N 15 116.962 0.06 . 1 . . . . 82 THR N . 25770 1 762 . 1 1 83 83 GLY HA2 H 1 4.170 0.01 . 2 . . . . 83 GLY Ha2 . 25770 1 763 . 1 1 83 83 GLY HA3 H 1 3.936 0.01 . 2 . . . . 83 GLY Ha3 . 25770 1 764 . 1 1 83 83 GLY C C 13 174.581 0.08 . 1 . . . . 83 GLY C . 25770 1 765 . 1 1 83 83 GLY CA C 13 45.663 0.08 . 1 . . . . 83 GLY Ca . 25770 1 766 . 1 1 84 84 ASP H H 1 8.220 0.01 . 1 . . . . 84 ASP H . 25770 1 767 . 1 1 84 84 ASP HA H 1 4.619 0.01 . 1 . . . . 84 ASP Ha . 25770 1 768 . 1 1 84 84 ASP HB2 H 1 2.713 0.01 . 2 . . . . 84 ASP Hb* . 25770 1 769 . 1 1 84 84 ASP HB3 H 1 2.713 0.01 . 2 . . . . 84 ASP Hb* . 25770 1 770 . 1 1 84 84 ASP C C 13 176.152 0.08 . 1 . . . . 84 ASP C . 25770 1 771 . 1 1 84 84 ASP CA C 13 55.159 0.08 . 1 . . . . 84 ASP Ca . 25770 1 772 . 1 1 84 84 ASP CB C 13 41.176 0.08 . 1 . . . . 84 ASP Cb . 25770 1 773 . 1 1 84 84 ASP N N 15 120.874 0.06 . 1 . . . . 84 ASP N . 25770 1 774 . 1 1 85 85 ASP H H 1 8.426 0.01 . 1 . . . . 85 ASP H . 25770 1 775 . 1 1 85 85 ASP HA H 1 4.493 0.01 . 1 . . . . 85 ASP Ha . 25770 1 776 . 1 1 85 85 ASP HB2 H 1 2.678 0.01 . 2 . . . . 85 ASP Hb* . 25770 1 777 . 1 1 85 85 ASP HB3 H 1 2.678 0.01 . 2 . . . . 85 ASP Hb* . 25770 1 778 . 1 1 85 85 ASP C C 13 175.108 0.08 . 1 . . . . 85 ASP C . 25770 1 779 . 1 1 85 85 ASP CA C 13 54.713 0.08 . 1 . . . . 85 ASP Ca . 25770 1 780 . 1 1 85 85 ASP CB C 13 41.022 0.08 . 1 . . . . 85 ASP Cb . 25770 1 781 . 1 1 85 85 ASP N N 15 118.506 0.06 . 1 . . . . 85 ASP N . 25770 1 782 . 1 1 86 86 LEU H H 1 7.845 0.01 . 1 . . . . 86 LEU H . 25770 1 783 . 1 1 86 86 LEU HA H 1 4.199 0.01 . 1 . . . . 86 LEU Ha . 25770 1 784 . 1 1 86 86 LEU HB2 H 1 1.698 0.01 . 2 . . . . 86 LEU Hb2 . 25770 1 785 . 1 1 86 86 LEU HB3 H 1 1.612 0.01 . 2 . . . . 86 LEU Hb3 . 25770 1 786 . 1 1 86 86 LEU HD11 H 1 0.903 0.01 . 2 . . . . 86 LEU Hd1* . 25770 1 787 . 1 1 86 86 LEU HD12 H 1 0.903 0.01 . 2 . . . . 86 LEU Hd1* . 25770 1 788 . 1 1 86 86 LEU HD13 H 1 0.903 0.01 . 2 . . . . 86 LEU Hd1* . 25770 1 789 . 1 1 86 86 LEU HD21 H 1 0.843 0.01 . 2 . . . . 86 LEU Hd2* . 25770 1 790 . 1 1 86 86 LEU HD22 H 1 0.843 0.01 . 2 . . . . 86 LEU Hd2* . 25770 1 791 . 1 1 86 86 LEU HD23 H 1 0.843 0.01 . 2 . . . . 86 LEU Hd2* . 25770 1 792 . 1 1 86 86 LEU C C 13 177.763 0.08 . 1 . . . . 86 LEU C . 25770 1 793 . 1 1 86 86 LEU CA C 13 56.453 0.08 . 1 . . . . 86 LEU Ca . 25770 1 794 . 1 1 86 86 LEU CB C 13 42.415 0.08 . 1 . . . . 86 LEU Cb . 25770 1 795 . 1 1 86 86 LEU N N 15 121.612 0.06 . 1 . . . . 86 LEU N . 25770 1 796 . 1 1 87 87 GLU H H 1 8.366 0.01 . 1 . . . . 87 GLU H . 25770 1 797 . 1 1 87 87 GLU HA H 1 4.195 0.01 . 1 . . . . 87 GLU Ha . 25770 1 798 . 1 1 87 87 GLU HB2 H 1 2.043 0.01 . 2 . . . . 87 GLU Hb* . 25770 1 799 . 1 1 87 87 GLU HB3 H 1 2.043 0.01 . 2 . . . . 87 GLU Hb* . 25770 1 800 . 1 1 87 87 GLU C C 13 178.139 0.08 . 1 . . . . 87 GLU C . 25770 1 801 . 1 1 87 87 GLU CA C 13 58.210 0.08 . 1 . . . . 87 GLU Ca . 25770 1 802 . 1 1 87 87 GLU CB C 13 29.609 0.08 . 1 . . . . 87 GLU Cb . 25770 1 803 . 1 1 87 87 GLU N N 15 120.680 0.06 . 1 . . . . 87 GLU N . 25770 1 804 . 1 1 88 88 ILE H H 1 7.867 0.01 . 1 . . . . 88 ILE H . 25770 1 805 . 1 1 88 88 ILE HA H 1 4.020 0.01 . 1 . . . . 88 ILE Ha . 25770 1 806 . 1 1 88 88 ILE HB H 1 1.890 0.01 . 1 . . . . 88 ILE Hb . 25770 1 807 . 1 1 88 88 ILE HD11 H 1 0.746 0.01 . 1 . . . . 88 ILE Hd1* . 25770 1 808 . 1 1 88 88 ILE HD12 H 1 0.746 0.01 . 1 . . . . 88 ILE Hd1* . 25770 1 809 . 1 1 88 88 ILE HD13 H 1 0.746 0.01 . 1 . . . . 88 ILE Hd1* . 25770 1 810 . 1 1 88 88 ILE HG12 H 1 1.201 0.01 . 1 . . . . 88 ILE Hg12 . 25770 1 811 . 1 1 88 88 ILE HG21 H 1 0.937 0.01 . 1 . . . . 88 ILE Hg2* . 25770 1 812 . 1 1 88 88 ILE HG22 H 1 0.937 0.01 . 1 . . . . 88 ILE Hg2* . 25770 1 813 . 1 1 88 88 ILE HG23 H 1 0.937 0.01 . 1 . . . . 88 ILE Hg2* . 25770 1 814 . 1 1 88 88 ILE C C 13 176.921 0.08 . 1 . . . . 88 ILE C . 25770 1 815 . 1 1 88 88 ILE CA C 13 62.693 0.08 . 1 . . . . 88 ILE Ca . 25770 1 816 . 1 1 88 88 ILE CB C 13 38.115 0.08 . 1 . . . . 88 ILE Cb . 25770 1 817 . 1 1 88 88 ILE CD1 C 13 13.223 0.08 . 1 . . . . 88 ILE Cd1 . 25770 1 818 . 1 1 88 88 ILE CG1 C 13 28.344 0.08 . 1 . . . . 88 ILE Cg1 . 25770 1 819 . 1 1 88 88 ILE CG2 C 13 17.740 0.08 . 1 . . . . 88 ILE Cg2 . 25770 1 820 . 1 1 88 88 ILE N N 15 119.733 0.06 . 1 . . . . 88 ILE N . 25770 1 821 . 1 1 89 89 ALA H H 1 8.234 0.01 . 1 . . . . 89 ALA H . 25770 1 822 . 1 1 89 89 ALA HA H 1 4.156 0.01 . 1 . . . . 89 ALA Ha . 25770 1 823 . 1 1 89 89 ALA HB1 H 1 1.409 0.01 . 1 . . . . 89 ALA Hb* . 25770 1 824 . 1 1 89 89 ALA HB2 H 1 1.409 0.01 . 1 . . . . 89 ALA Hb* . 25770 1 825 . 1 1 89 89 ALA HB3 H 1 1.409 0.01 . 1 . . . . 89 ALA Hb* . 25770 1 826 . 1 1 89 89 ALA C C 13 178.925 0.08 . 1 . . . . 89 ALA C . 25770 1 827 . 1 1 89 89 ALA CA C 13 54.182 0.08 . 1 . . . . 89 ALA Ca . 25770 1 828 . 1 1 89 89 ALA CB C 13 18.901 0.08 . 1 . . . . 89 ALA Cb . 25770 1 829 . 1 1 89 89 ALA N N 15 125.566 0.06 . 1 . . . . 89 ALA N . 25770 1 830 . 1 1 90 90 ASN H H 1 8.228 0.01 . 1 . . . . 90 ASN H . 25770 1 831 . 1 1 90 90 ASN HA H 1 4.530 0.01 . 1 . . . . 90 ASN Ha . 25770 1 832 . 1 1 90 90 ASN HB2 H 1 2.827 0.01 . 2 . . . . 90 ASN Hb* . 25770 1 833 . 1 1 90 90 ASN HB3 H 1 2.827 0.01 . 2 . . . . 90 ASN Hb* . 25770 1 834 . 1 1 90 90 ASN HD21 H 1 7.659 0.01 . 2 . . . . 90 ASN Hd21 . 25770 1 835 . 1 1 90 90 ASN HD22 H 1 6.869 0.01 . 2 . . . . 90 ASN Hd22 . 25770 1 836 . 1 1 90 90 ASN C C 13 176.476 0.08 . 1 . . . . 90 ASN C . 25770 1 837 . 1 1 90 90 ASN CA C 13 54.629 0.08 . 1 . . . . 90 ASN Ca . 25770 1 838 . 1 1 90 90 ASN CB C 13 38.722 0.08 . 1 . . . . 90 ASN Cb . 25770 1 839 . 1 1 90 90 ASN N N 15 116.527 0.06 . 1 . . . . 90 ASN N . 25770 1 840 . 1 1 90 90 ASN ND2 N 15 112.169 0.06 . 1 . . . . 90 ASN Nd2 . 25770 1 841 . 1 1 91 91 SER H H 1 8.101 0.01 . 1 . . . . 91 SER H . 25770 1 842 . 1 1 91 91 SER HA H 1 4.277 0.01 . 1 . . . . 91 SER Ha . 25770 1 843 . 1 1 91 91 SER HB2 H 1 3.644 0.01 . 2 . . . . 91 SER Hb2 . 25770 1 844 . 1 1 91 91 SER HB3 H 1 3.498 0.01 . 2 . . . . 91 SER Hb3 . 25770 1 845 . 1 1 91 91 SER C C 13 174.523 0.08 . 1 . . . . 91 SER C . 25770 1 846 . 1 1 91 91 SER CA C 13 60.192 0.08 . 1 . . . . 91 SER Ca . 25770 1 847 . 1 1 91 91 SER CB C 13 63.555 0.08 . 1 . . . . 91 SER Cb . 25770 1 848 . 1 1 91 91 SER N N 15 114.732 0.06 . 1 . . . . 91 SER N . 25770 1 849 . 1 1 92 92 TYR H H 1 8.004 0.01 . 1 . . . . 92 TYR H . 25770 1 850 . 1 1 92 92 TYR HA H 1 4.606 0.01 . 1 . . . . 92 TYR Ha . 25770 1 851 . 1 1 92 92 TYR HB2 H 1 2.718 0.01 . 2 . . . . 92 TYR Hb* . 25770 1 852 . 1 1 92 92 TYR HB3 H 1 2.718 0.01 . 2 . . . . 92 TYR Hb* . 25770 1 853 . 1 1 92 92 TYR C C 13 176.192 0.08 . 1 . . . . 92 TYR C . 25770 1 854 . 1 1 92 92 TYR CA C 13 58.288 0.08 . 1 . . . . 92 TYR Ca . 25770 1 855 . 1 1 92 92 TYR CB C 13 38.910 0.08 . 1 . . . . 92 TYR Cb . 25770 1 856 . 1 1 92 92 TYR N N 15 118.924 0.06 . 1 . . . . 92 TYR N . 25770 1 857 . 1 1 93 93 GLY C C 13 175.870 0.08 . 1 . . . . 93 GLY C . 25770 1 858 . 1 1 94 94 PHE H H 1 7.112 0.01 . 1 . . . . 94 PHE H . 25770 1 859 . 1 1 94 94 PHE HA H 1 4.766 0.01 . 1 . . . . 94 PHE Ha . 25770 1 860 . 1 1 94 94 PHE HB2 H 1 3.261 0.01 . 2 . . . . 94 PHE Hb2 . 25770 1 861 . 1 1 94 94 PHE HB3 H 1 2.808 0.01 . 2 . . . . 94 PHE Hb3 . 25770 1 862 . 1 1 94 94 PHE HD1 H 1 7.175 0.01 . 3 . . . . 94 PHE Hd* . 25770 1 863 . 1 1 94 94 PHE HD2 H 1 7.175 0.01 . 3 . . . . 94 PHE Hd* . 25770 1 864 . 1 1 94 94 PHE CA C 13 57.356 0.08 . 1 . . . . 94 PHE Ca . 25770 1 865 . 1 1 94 94 PHE CB C 13 40.393 0.08 . 1 . . . . 94 PHE Cb . 25770 1 866 . 1 1 94 94 PHE N N 15 107.608 0.06 . 1 . . . . 94 PHE N . 25770 1 867 . 1 1 100 100 VAL HA H 1 3.620 0.01 . 1 . . . . 100 VAL Ha . 25770 1 868 . 1 1 100 100 VAL HB H 1 2.189 0.01 . 1 . . . . 100 VAL Hb . 25770 1 869 . 1 1 100 100 VAL HG11 H 1 1.135 0.01 . 2 . . . . 100 VAL Hg1* . 25770 1 870 . 1 1 100 100 VAL HG12 H 1 1.135 0.01 . 2 . . . . 100 VAL Hg1* . 25770 1 871 . 1 1 100 100 VAL HG13 H 1 1.135 0.01 . 2 . . . . 100 VAL Hg1* . 25770 1 872 . 1 1 100 100 VAL HG21 H 1 1.042 0.01 . 2 . . . . 100 VAL Hg2* . 25770 1 873 . 1 1 100 100 VAL HG22 H 1 1.042 0.01 . 2 . . . . 100 VAL Hg2* . 25770 1 874 . 1 1 100 100 VAL HG23 H 1 1.042 0.01 . 2 . . . . 100 VAL Hg2* . 25770 1 875 . 1 1 100 100 VAL C C 13 177.599 0.08 . 1 . . . . 100 VAL C . 25770 1 876 . 1 1 100 100 VAL CA C 13 66.322 0.08 . 1 . . . . 100 VAL Ca . 25770 1 877 . 1 1 100 100 VAL CB C 13 31.507 0.08 . 1 . . . . 100 VAL Cb . 25770 1 878 . 1 1 100 100 VAL CG1 C 13 23.834 0.08 . 2 . . . . 100 VAL Cg1 . 25770 1 879 . 1 1 100 100 VAL CG2 C 13 22.152 0.08 . 2 . . . . 100 VAL Cg2 . 25770 1 880 . 1 1 101 101 THR H H 1 7.858 0.01 . 1 . . . . 101 THR H . 25770 1 881 . 1 1 101 101 THR HA H 1 3.524 0.01 . 1 . . . . 101 THR Ha . 25770 1 882 . 1 1 101 101 THR HB H 1 4.108 0.01 . 1 . . . . 101 THR Hb . 25770 1 883 . 1 1 101 101 THR HG21 H 1 1.072 0.01 . 1 . . . . 101 THR Hg2* . 25770 1 884 . 1 1 101 101 THR HG22 H 1 1.072 0.01 . 1 . . . . 101 THR Hg2* . 25770 1 885 . 1 1 101 101 THR HG23 H 1 1.072 0.01 . 1 . . . . 101 THR Hg2* . 25770 1 886 . 1 1 101 101 THR C C 13 175.908 0.08 . 1 . . . . 101 THR C . 25770 1 887 . 1 1 101 101 THR CA C 13 67.498 0.08 . 1 . . . . 101 THR Ca . 25770 1 888 . 1 1 101 101 THR CB C 13 67.746 0.08 . 1 . . . . 101 THR Cb . 25770 1 889 . 1 1 101 101 THR CG2 C 13 22.349 0.08 . 1 . . . . 101 THR Cg2 . 25770 1 890 . 1 1 101 101 THR N N 15 116.249 0.06 . 1 . . . . 101 THR N . 25770 1 891 . 1 1 102 102 ASN H H 1 7.674 0.01 . 1 . . . . 102 ASN H . 25770 1 892 . 1 1 102 102 ASN HA H 1 4.305 0.01 . 1 . . . . 102 ASN Ha . 25770 1 893 . 1 1 102 102 ASN HB2 H 1 2.582 0.01 . 2 . . . . 102 ASN Hb2 . 25770 1 894 . 1 1 102 102 ASN HB3 H 1 2.491 0.01 . 2 . . . . 102 ASN Hb3 . 25770 1 895 . 1 1 102 102 ASN HD21 H 1 7.574 0.01 . 2 . . . . 102 ASN Hd21 . 25770 1 896 . 1 1 102 102 ASN HD22 H 1 6.919 0.01 . 2 . . . . 102 ASN Hd22 . 25770 1 897 . 1 1 102 102 ASN C C 13 177.998 0.08 . 1 . . . . 102 ASN C . 25770 1 898 . 1 1 102 102 ASN CA C 13 56.075 0.08 . 1 . . . . 102 ASN Ca . 25770 1 899 . 1 1 102 102 ASN CB C 13 37.471 0.08 . 1 . . . . 102 ASN Cb . 25770 1 900 . 1 1 102 102 ASN N N 15 117.794 0.06 . 1 . . . . 102 ASN N . 25770 1 901 . 1 1 102 102 ASN ND2 N 15 112.470 0.06 . 1 . . . . 102 ASN Nd2 . 25770 1 902 . 1 1 103 103 LEU H H 1 7.848 0.01 . 1 . . . . 103 LEU H . 25770 1 903 . 1 1 103 103 LEU HA H 1 4.019 0.01 . 1 . . . . 103 LEU Ha . 25770 1 904 . 1 1 103 103 LEU C C 13 180.057 0.08 . 1 . . . . 103 LEU C . 25770 1 905 . 1 1 103 103 LEU CA C 13 58.449 0.08 . 1 . . . . 103 LEU Ca . 25770 1 906 . 1 1 103 103 LEU CB C 13 41.756 0.08 . 1 . . . . 103 LEU Cb . 25770 1 907 . 1 1 103 103 LEU N N 15 123.027 0.06 . 1 . . . . 103 LEU N . 25770 1 908 . 1 1 104 104 LEU H H 1 8.426 0.01 . 1 . . . . 104 LEU H . 25770 1 909 . 1 1 104 104 LEU HA H 1 3.628 0.01 . 1 . . . . 104 LEU Ha . 25770 1 910 . 1 1 104 104 LEU HB2 H 1 1.816 0.01 . 2 . . . . 104 LEU Hb2 . 25770 1 911 . 1 1 104 104 LEU HB3 H 1 1.127 0.01 . 2 . . . . 104 LEU Hb3 . 25770 1 912 . 1 1 104 104 LEU HD11 H 1 0.379 0.01 . 2 . . . . 104 LEU Hd1* . 25770 1 913 . 1 1 104 104 LEU HD12 H 1 0.379 0.01 . 2 . . . . 104 LEU Hd1* . 25770 1 914 . 1 1 104 104 LEU HD13 H 1 0.379 0.01 . 2 . . . . 104 LEU Hd1* . 25770 1 915 . 1 1 104 104 LEU HD21 H 1 -0.207 0.01 . 2 . . . . 104 LEU Hd2* . 25770 1 916 . 1 1 104 104 LEU HD22 H 1 -0.207 0.01 . 2 . . . . 104 LEU Hd2* . 25770 1 917 . 1 1 104 104 LEU HD23 H 1 -0.207 0.01 . 2 . . . . 104 LEU Hd2* . 25770 1 918 . 1 1 104 104 LEU HG H 1 1.515 0.01 . 1 . . . . 104 LEU Hg . 25770 1 919 . 1 1 104 104 LEU C C 13 177.509 0.08 . 1 . . . . 104 LEU C . 25770 1 920 . 1 1 104 104 LEU CA C 13 57.282 0.08 . 1 . . . . 104 LEU Ca . 25770 1 921 . 1 1 104 104 LEU CB C 13 41.955 0.08 . 1 . . . . 104 LEU Cb . 25770 1 922 . 1 1 104 104 LEU CD1 C 13 26.771 0.08 . 2 . . . . 104 LEU Cd1 . 25770 1 923 . 1 1 104 104 LEU CD2 C 13 22.156 0.08 . 2 . . . . 104 LEU Cd2 . 25770 1 924 . 1 1 104 104 LEU CG C 13 26.636 0.08 . 1 . . . . 104 LEU Cg . 25770 1 925 . 1 1 104 104 LEU N N 15 119.536 0.06 . 1 . . . . 104 LEU N . 25770 1 926 . 1 1 105 105 LYS H H 1 7.531 0.01 . 1 . . . . 105 LYS H . 25770 1 927 . 1 1 105 105 LYS HA H 1 4.084 0.01 . 1 . . . . 105 LYS Ha . 25770 1 928 . 1 1 105 105 LYS HB2 H 1 2.215 0.01 . 2 . . . . 105 LYS Hb2 . 25770 1 929 . 1 1 105 105 LYS HB3 H 1 1.857 0.01 . 2 . . . . 105 LYS Hb3 . 25770 1 930 . 1 1 105 105 LYS C C 13 175.113 0.08 . 1 . . . . 105 LYS C . 25770 1 931 . 1 1 105 105 LYS CA C 13 57.967 0.08 . 1 . . . . 105 LYS Ca . 25770 1 932 . 1 1 105 105 LYS CB C 13 33.958 0.08 . 1 . . . . 105 LYS Cb . 25770 1 933 . 1 1 105 105 LYS N N 15 115.498 0.06 . 1 . . . . 105 LYS N . 25770 1 934 . 1 1 106 106 SER H H 1 7.806 0.01 . 1 . . . . 106 SER H . 25770 1 935 . 1 1 106 106 SER HA H 1 4.666 0.01 . 1 . . . . 106 SER Ha . 25770 1 936 . 1 1 106 106 SER HB2 H 1 4.661 0.01 . 2 . . . . 106 SER Hb2 . 25770 1 937 . 1 1 106 106 SER HB3 H 1 4.514 0.01 . 2 . . . . 106 SER Hb3 . 25770 1 938 . 1 1 106 106 SER C C 13 172.090 0.08 . 1 . . . . 106 SER C . 25770 1 939 . 1 1 106 106 SER CA C 13 58.466 0.08 . 1 . . . . 106 SER Ca . 25770 1 940 . 1 1 106 106 SER CB C 13 63.411 0.08 . 1 . . . . 106 SER Cb . 25770 1 941 . 1 1 106 106 SER N N 15 117.624 0.06 . 1 . . . . 106 SER N . 25770 1 942 . 1 1 107 107 PRO HA H 1 4.086 0.01 . 1 . . . . 107 PRO Ha . 25770 1 943 . 1 1 107 107 PRO HB2 H 1 2.317 0.01 . 2 . . . . 107 PRO Hb2 . 25770 1 944 . 1 1 107 107 PRO HB3 H 1 2.267 0.01 . 2 . . . . 107 PRO Hb3 . 25770 1 945 . 1 1 107 107 PRO HD2 H 1 4.000 0.01 . 2 . . . . 107 PRO Hd* . 25770 1 946 . 1 1 107 107 PRO HD3 H 1 4.000 0.01 . 2 . . . . 107 PRO Hd* . 25770 1 947 . 1 1 107 107 PRO HG2 H 1 2.070 0.01 . 2 . . . . 107 PRO Hg2 . 25770 1 948 . 1 1 107 107 PRO HG3 H 1 1.762 0.01 . 2 . . . . 107 PRO Hg3 . 25770 1 949 . 1 1 107 107 PRO C C 13 178.852 0.08 . 1 . . . . 107 PRO C . 25770 1 950 . 1 1 107 107 PRO CA C 13 65.188 0.08 . 1 . . . . 107 PRO Ca . 25770 1 951 . 1 1 107 107 PRO CB C 13 31.867 0.08 . 1 . . . . 107 PRO Cb . 25770 1 952 . 1 1 107 107 PRO CD C 13 50.610 0.08 . 1 . . . . 107 PRO Cd . 25770 1 953 . 1 1 108 108 GLU H H 1 8.563 0.01 . 1 . . . . 108 GLU H . 25770 1 954 . 1 1 108 108 GLU HA H 1 3.431 0.01 . 1 . . . . 108 GLU Ha . 25770 1 955 . 1 1 108 108 GLU C C 13 177.482 0.08 . 1 . . . . 108 GLU C . 25770 1 956 . 1 1 108 108 GLU CA C 13 61.975 0.08 . 1 . . . . 108 GLU Ca . 25770 1 957 . 1 1 108 108 GLU CB C 13 28.816 0.08 . 1 . . . . 108 GLU Cb . 25770 1 958 . 1 1 108 108 GLU N N 15 117.322 0.06 . 1 . . . . 108 GLU N . 25770 1 959 . 1 1 109 109 PHE H H 1 7.504 0.01 . 1 . . . . 109 PHE H . 25770 1 960 . 1 1 109 109 PHE HA H 1 4.158 0.01 . 1 . . . . 109 PHE Ha . 25770 1 961 . 1 1 109 109 PHE HB2 H 1 3.346 0.01 . 2 . . . . 109 PHE Hb* . 25770 1 962 . 1 1 109 109 PHE HB3 H 1 3.346 0.01 . 2 . . . . 109 PHE Hb* . 25770 1 963 . 1 1 109 109 PHE HD1 H 1 7.103 0.01 . 3 . . . . 109 PHE Hd* . 25770 1 964 . 1 1 109 109 PHE HD2 H 1 7.103 0.01 . 3 . . . . 109 PHE Hd* . 25770 1 965 . 1 1 109 109 PHE C C 13 178.711 0.08 . 1 . . . . 109 PHE C . 25770 1 966 . 1 1 109 109 PHE CA C 13 62.681 0.08 . 1 . . . . 109 PHE Ca . 25770 1 967 . 1 1 109 109 PHE CB C 13 40.592 0.08 . 1 . . . . 109 PHE Cb . 25770 1 968 . 1 1 109 109 PHE N N 15 118.277 0.06 . 1 . . . . 109 PHE N . 25770 1 969 . 1 1 110 110 ARG H H 1 8.259 0.01 . 1 . . . . 110 ARG H . 25770 1 970 . 1 1 110 110 ARG HA H 1 2.645 0.01 . 1 . . . . 110 ARG Ha . 25770 1 971 . 1 1 110 110 ARG HB2 H 1 1.702 0.01 . 2 . . . . 110 ARG Hb2 . 25770 1 972 . 1 1 110 110 ARG HB3 H 1 1.483 0.01 . 2 . . . . 110 ARG Hb3 . 25770 1 973 . 1 1 110 110 ARG C C 13 178.780 0.08 . 1 . . . . 110 ARG C . 25770 1 974 . 1 1 110 110 ARG CA C 13 59.551 0.08 . 1 . . . . 110 ARG Ca . 25770 1 975 . 1 1 110 110 ARG CB C 13 29.869 0.08 . 1 . . . . 110 ARG Cb . 25770 1 976 . 1 1 110 110 ARG N N 15 122.631 0.06 . 1 . . . . 110 ARG N . 25770 1 977 . 1 1 111 111 LEU H H 1 7.571 0.01 . 1 . . . . 111 LEU H . 25770 1 978 . 1 1 111 111 LEU HA H 1 3.876 0.01 . 1 . . . . 111 LEU Ha . 25770 1 979 . 1 1 111 111 LEU HB2 H 1 1.593 0.01 . 2 . . . . 111 LEU Hb2 . 25770 1 980 . 1 1 111 111 LEU HB3 H 1 1.505 0.01 . 2 . . . . 111 LEU Hb3 . 25770 1 981 . 1 1 111 111 LEU HD11 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 982 . 1 1 111 111 LEU HD12 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 983 . 1 1 111 111 LEU HD13 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 984 . 1 1 111 111 LEU HD21 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 985 . 1 1 111 111 LEU HD22 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 986 . 1 1 111 111 LEU HD23 H 1 0.723 0.01 . 2 . . . . 111 LEU Hd* . 25770 1 987 . 1 1 111 111 LEU HG H 1 1.412 0.01 . 1 . . . . 111 LEU Hg . 25770 1 988 . 1 1 111 111 LEU C C 13 178.250 0.08 . 1 . . . . 111 LEU C . 25770 1 989 . 1 1 111 111 LEU CA C 13 57.857 0.08 . 1 . . . . 111 LEU Ca . 25770 1 990 . 1 1 111 111 LEU CB C 13 40.900 0.08 . 1 . . . . 111 LEU Cb . 25770 1 991 . 1 1 111 111 LEU CD1 C 13 25.144 0.08 . 2 . . . . 111 LEU Cd* . 25770 1 992 . 1 1 111 111 LEU CD2 C 13 25.144 0.08 . 2 . . . . 111 LEU Cd* . 25770 1 993 . 1 1 111 111 LEU CG C 13 26.845 0.08 . 1 . . . . 111 LEU Cg . 25770 1 994 . 1 1 111 111 LEU N N 15 120.985 0.06 . 1 . . . . 111 LEU N . 25770 1 995 . 1 1 112 112 VAL H H 1 7.548 0.01 . 1 . . . . 112 VAL H . 25770 1 996 . 1 1 112 112 VAL HA H 1 3.084 0.01 . 1 . . . . 112 VAL Ha . 25770 1 997 . 1 1 112 112 VAL HB H 1 2.294 0.01 . 1 . . . . 112 VAL Hb . 25770 1 998 . 1 1 112 112 VAL HG11 H 1 1.057 0.01 . 2 . . . . 112 VAL Hg1* . 25770 1 999 . 1 1 112 112 VAL HG12 H 1 1.057 0.01 . 2 . . . . 112 VAL Hg1* . 25770 1 1000 . 1 1 112 112 VAL HG13 H 1 1.057 0.01 . 2 . . . . 112 VAL Hg1* . 25770 1 1001 . 1 1 112 112 VAL HG21 H 1 0.772 0.01 . 2 . . . . 112 VAL Hg2* . 25770 1 1002 . 1 1 112 112 VAL HG22 H 1 0.772 0.01 . 2 . . . . 112 VAL Hg2* . 25770 1 1003 . 1 1 112 112 VAL HG23 H 1 0.772 0.01 . 2 . . . . 112 VAL Hg2* . 25770 1 1004 . 1 1 112 112 VAL C C 13 176.325 0.08 . 1 . . . . 112 VAL C . 25770 1 1005 . 1 1 112 112 VAL CA C 13 68.196 0.08 . 1 . . . . 112 VAL Ca . 25770 1 1006 . 1 1 112 112 VAL CB C 13 31.237 0.08 . 1 . . . . 112 VAL Cb . 25770 1 1007 . 1 1 112 112 VAL CG1 C 13 21.738 0.08 . 2 . . . . 112 VAL Cg1 . 25770 1 1008 . 1 1 112 112 VAL CG2 C 13 23.645 0.08 . 2 . . . . 112 VAL Cg2 . 25770 1 1009 . 1 1 112 112 VAL N N 15 118.278 0.06 . 1 . . . . 112 VAL N . 25770 1 1010 . 1 1 113 113 HIS H H 1 7.665 0.01 . 1 . . . . 113 HIS H . 25770 1 1011 . 1 1 113 113 HIS HA H 1 3.753 0.01 . 1 . . . . 113 HIS Ha . 25770 1 1012 . 1 1 113 113 HIS HB2 H 1 3.157 0.01 . 2 . . . . 113 HIS Hb* . 25770 1 1013 . 1 1 113 113 HIS HB3 H 1 3.157 0.01 . 2 . . . . 113 HIS Hb* . 25770 1 1014 . 1 1 113 113 HIS HD2 H 1 7.414 0.01 . 1 . . . . 113 HIS Hd2 . 25770 1 1015 . 1 1 113 113 HIS C C 13 176.451 0.08 . 1 . . . . 113 HIS C . 25770 1 1016 . 1 1 113 113 HIS CA C 13 57.459 0.08 . 1 . . . . 113 HIS Ca . 25770 1 1017 . 1 1 113 113 HIS CB C 13 28.490 0.08 . 1 . . . . 113 HIS Cb . 25770 1 1018 . 1 1 113 113 HIS N N 15 117.008 0.06 . 1 . . . . 113 HIS N . 25770 1 1019 . 1 1 114 114 THR H H 1 7.979 0.01 . 1 . . . . 114 THR H . 25770 1 1020 . 1 1 114 114 THR HA H 1 3.538 0.01 . 1 . . . . 114 THR Ha . 25770 1 1021 . 1 1 114 114 THR HB H 1 4.144 0.01 . 1 . . . . 114 THR Hb . 25770 1 1022 . 1 1 114 114 THR HG21 H 1 0.968 0.01 . 1 . . . . 114 THR Hg2* . 25770 1 1023 . 1 1 114 114 THR HG22 H 1 0.968 0.01 . 1 . . . . 114 THR Hg2* . 25770 1 1024 . 1 1 114 114 THR HG23 H 1 0.968 0.01 . 1 . . . . 114 THR Hg2* . 25770 1 1025 . 1 1 114 114 THR C C 13 174.642 0.08 . 1 . . . . 114 THR C . 25770 1 1026 . 1 1 114 114 THR CA C 13 66.761 0.08 . 1 . . . . 114 THR Ca . 25770 1 1027 . 1 1 114 114 THR CB C 13 69.009 0.08 . 1 . . . . 114 THR Cb . 25770 1 1028 . 1 1 114 114 THR N N 15 117.015 0.06 . 1 . . . . 114 THR N . 25770 1 1029 . 1 1 115 115 ILE H H 1 7.925 0.01 . 1 . . . . 115 ILE H . 25770 1 1030 . 1 1 115 115 ILE HA H 1 2.797 0.01 . 1 . . . . 115 ILE Ha . 25770 1 1031 . 1 1 115 115 ILE HB H 1 1.571 0.01 . 1 . . . . 115 ILE Hb . 25770 1 1032 . 1 1 115 115 ILE HD11 H 1 0.432 0.01 . 1 . . . . 115 ILE Hd1* . 25770 1 1033 . 1 1 115 115 ILE HD12 H 1 0.432 0.01 . 1 . . . . 115 ILE Hd1* . 25770 1 1034 . 1 1 115 115 ILE HD13 H 1 0.432 0.01 . 1 . . . . 115 ILE Hd1* . 25770 1 1035 . 1 1 115 115 ILE HG12 H 1 1.426 0.01 . 2 . . . . 115 ILE Hg12 . 25770 1 1036 . 1 1 115 115 ILE HG13 H 1 0.197 0.01 . 2 . . . . 115 ILE Hg13 . 25770 1 1037 . 1 1 115 115 ILE HG21 H 1 0.660 0.01 . 1 . . . . 115 ILE Hg2* . 25770 1 1038 . 1 1 115 115 ILE HG22 H 1 0.660 0.01 . 1 . . . . 115 ILE Hg2* . 25770 1 1039 . 1 1 115 115 ILE HG23 H 1 0.660 0.01 . 1 . . . . 115 ILE Hg2* . 25770 1 1040 . 1 1 115 115 ILE C C 13 177.279 0.08 . 1 . . . . 115 ILE C . 25770 1 1041 . 1 1 115 115 ILE CA C 13 64.676 0.08 . 1 . . . . 115 ILE Ca . 25770 1 1042 . 1 1 115 115 ILE CB C 13 38.422 0.08 . 1 . . . . 115 ILE Cb . 25770 1 1043 . 1 1 115 115 ILE CD1 C 13 14.311 0.08 . 1 . . . . 115 ILE Cd1 . 25770 1 1044 . 1 1 115 115 ILE CG2 C 13 18.199 0.08 . 1 . . . . 115 ILE Cg2 . 25770 1 1045 . 1 1 115 115 ILE N N 15 119.053 0.06 . 1 . . . . 115 ILE N . 25770 1 1046 . 1 1 116 116 ILE H H 1 7.906 0.01 . 1 . . . . 116 ILE H . 25770 1 1047 . 1 1 116 116 ILE HA H 1 4.861 0.01 . 1 . . . . 116 ILE Ha . 25770 1 1048 . 1 1 116 116 ILE HB H 1 2.131 0.01 . 1 . . . . 116 ILE Hb . 25770 1 1049 . 1 1 116 116 ILE HD11 H 1 0.999 0.01 . 1 . . . . 116 ILE Hd1* . 25770 1 1050 . 1 1 116 116 ILE HD12 H 1 0.999 0.01 . 1 . . . . 116 ILE Hd1* . 25770 1 1051 . 1 1 116 116 ILE HD13 H 1 0.999 0.01 . 1 . . . . 116 ILE Hd1* . 25770 1 1052 . 1 1 116 116 ILE HG12 H 1 1.984 0.01 . 2 . . . . 116 ILE Hg12 . 25770 1 1053 . 1 1 116 116 ILE HG13 H 1 1.821 0.01 . 2 . . . . 116 ILE Hg13 . 25770 1 1054 . 1 1 116 116 ILE HG21 H 1 0.733 0.01 . 1 . . . . 116 ILE Hg2* . 25770 1 1055 . 1 1 116 116 ILE HG22 H 1 0.733 0.01 . 1 . . . . 116 ILE Hg2* . 25770 1 1056 . 1 1 116 116 ILE HG23 H 1 0.733 0.01 . 1 . . . . 116 ILE Hg2* . 25770 1 1057 . 1 1 116 116 ILE C C 13 176.806 0.08 . 1 . . . . 116 ILE C . 25770 1 1058 . 1 1 116 116 ILE CA C 13 61.843 0.08 . 1 . . . . 116 ILE Ca . 25770 1 1059 . 1 1 116 116 ILE CB C 13 38.205 0.08 . 1 . . . . 116 ILE Cb . 25770 1 1060 . 1 1 116 116 ILE CD1 C 13 14.374 0.08 . 1 . . . . 116 ILE Cd1 . 25770 1 1061 . 1 1 116 116 ILE N N 15 109.779 0.06 . 1 . . . . 116 ILE N . 25770 1 1062 . 1 1 117 117 GLY H H 1 8.215 0.01 . 1 . . . . 117 GLY H . 25770 1 1063 . 1 1 117 117 GLY HA2 H 1 4.667 0.01 . 2 . . . . 117 GLY Ha2 . 25770 1 1064 . 1 1 117 117 GLY HA3 H 1 4.065 0.01 . 2 . . . . 117 GLY Ha3 . 25770 1 1065 . 1 1 117 117 GLY C C 13 173.964 0.08 . 1 . . . . 117 GLY C . 25770 1 1066 . 1 1 117 117 GLY CA C 13 44.758 0.08 . 1 . . . . 117 GLY Ca . 25770 1 1067 . 1 1 117 117 GLY N N 15 112.522 0.06 . 1 . . . . 117 GLY N . 25770 1 1068 . 1 1 118 118 THR H H 1 8.592 0.01 . 1 . . . . 118 THR H . 25770 1 1069 . 1 1 118 118 THR HA H 1 4.173 0.01 . 1 . . . . 118 THR Ha . 25770 1 1070 . 1 1 118 118 THR HB H 1 4.068 0.01 . 1 . . . . 118 THR Hb . 25770 1 1071 . 1 1 118 118 THR HG21 H 1 1.375 0.01 . 1 . . . . 118 THR Hg2* . 25770 1 1072 . 1 1 118 118 THR HG22 H 1 1.375 0.01 . 1 . . . . 118 THR Hg2* . 25770 1 1073 . 1 1 118 118 THR HG23 H 1 1.375 0.01 . 1 . . . . 118 THR Hg2* . 25770 1 1074 . 1 1 118 118 THR C C 13 175.372 0.08 . 1 . . . . 118 THR C . 25770 1 1075 . 1 1 118 118 THR CA C 13 67.814 0.08 . 1 . . . . 118 THR Ca . 25770 1 1076 . 1 1 118 118 THR CB C 13 69.262 0.08 . 1 . . . . 118 THR Cb . 25770 1 1077 . 1 1 118 118 THR CG2 C 13 23.490 0.08 . 1 . . . . 118 THR Cg2 . 25770 1 1078 . 1 1 118 118 THR N N 15 117.035 0.06 . 1 . . . . 118 THR N . 25770 1 1079 . 1 1 119 119 GLU H H 1 9.135 0.01 . 1 . . . . 119 GLU H . 25770 1 1080 . 1 1 119 119 GLU HA H 1 3.728 0.01 . 1 . . . . 119 GLU Ha . 25770 1 1081 . 1 1 119 119 GLU HB2 H 1 2.090 0.01 . 2 . . . . 119 GLU Hb* . 25770 1 1082 . 1 1 119 119 GLU HB3 H 1 2.090 0.01 . 2 . . . . 119 GLU Hb* . 25770 1 1083 . 1 1 119 119 GLU C C 13 178.361 0.08 . 1 . . . . 119 GLU C . 25770 1 1084 . 1 1 119 119 GLU CA C 13 62.042 0.08 . 1 . . . . 119 GLU Ca . 25770 1 1085 . 1 1 119 119 GLU CB C 13 29.213 0.08 . 1 . . . . 119 GLU Cb . 25770 1 1086 . 1 1 119 119 GLU N N 15 120.819 0.06 . 1 . . . . 119 GLU N . 25770 1 1087 . 1 1 120 120 THR H H 1 8.470 0.01 . 1 . . . . 120 THR H . 25770 1 1088 . 1 1 120 120 THR HA H 1 4.029 0.01 . 1 . . . . 120 THR Ha . 25770 1 1089 . 1 1 120 120 THR HB H 1 3.977 0.01 . 1 . . . . 120 THR Hb . 25770 1 1090 . 1 1 120 120 THR HG21 H 1 1.402 0.01 . 1 . . . . 120 THR Hg2* . 25770 1 1091 . 1 1 120 120 THR HG22 H 1 1.402 0.01 . 1 . . . . 120 THR Hg2* . 25770 1 1092 . 1 1 120 120 THR HG23 H 1 1.402 0.01 . 1 . . . . 120 THR Hg2* . 25770 1 1093 . 1 1 120 120 THR C C 13 174.872 0.08 . 1 . . . . 120 THR C . 25770 1 1094 . 1 1 120 120 THR CA C 13 66.231 0.08 . 1 . . . . 120 THR Ca . 25770 1 1095 . 1 1 120 120 THR CB C 13 67.773 0.08 . 1 . . . . 120 THR Cb . 25770 1 1096 . 1 1 120 120 THR CG2 C 13 23.943 0.08 . 1 . . . . 120 THR Cg2 . 25770 1 1097 . 1 1 120 120 THR N N 15 116.337 0.06 . 1 . . . . 120 THR N . 25770 1 1098 . 1 1 121 121 PHE H H 1 8.626 0.01 . 1 . . . . 121 PHE H . 25770 1 1099 . 1 1 121 121 PHE HA H 1 4.281 0.01 . 1 . . . . 121 PHE Ha . 25770 1 1100 . 1 1 121 121 PHE HB2 H 1 3.197 0.01 . 2 . . . . 121 PHE Hb2 . 25770 1 1101 . 1 1 121 121 PHE HB3 H 1 2.972 0.01 . 2 . . . . 121 PHE Hb3 . 25770 1 1102 . 1 1 121 121 PHE C C 13 175.907 0.08 . 1 . . . . 121 PHE C . 25770 1 1103 . 1 1 121 121 PHE CA C 13 61.563 0.08 . 1 . . . . 121 PHE Ca . 25770 1 1104 . 1 1 121 121 PHE CB C 13 40.206 0.08 . 1 . . . . 121 PHE Cb . 25770 1 1105 . 1 1 121 121 PHE N N 15 122.483 0.06 . 1 . . . . 121 PHE N . 25770 1 1106 . 1 1 122 122 LEU H H 1 8.387 0.01 . 1 . . . . 122 LEU H . 25770 1 1107 . 1 1 122 122 LEU HA H 1 3.722 0.01 . 1 . . . . 122 LEU Ha . 25770 1 1108 . 1 1 122 122 LEU HB2 H 1 2.057 0.01 . 2 . . . . 122 LEU Hb* . 25770 1 1109 . 1 1 122 122 LEU HB3 H 1 2.057 0.01 . 2 . . . . 122 LEU Hb* . 25770 1 1110 . 1 1 122 122 LEU HD11 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1111 . 1 1 122 122 LEU HD12 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1112 . 1 1 122 122 LEU HD13 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1113 . 1 1 122 122 LEU HD21 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1114 . 1 1 122 122 LEU HD22 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1115 . 1 1 122 122 LEU HD23 H 1 0.667 0.01 . 2 . . . . 122 LEU Hd* . 25770 1 1116 . 1 1 122 122 LEU C C 13 178.081 0.08 . 1 . . . . 122 LEU C . 25770 1 1117 . 1 1 122 122 LEU CA C 13 57.718 0.08 . 1 . . . . 122 LEU Ca . 25770 1 1118 . 1 1 122 122 LEU CB C 13 42.321 0.08 . 1 . . . . 122 LEU Cb . 25770 1 1119 . 1 1 122 122 LEU CD1 C 13 28.125 0.08 . 2 . . . . 122 LEU Cd* . 25770 1 1120 . 1 1 122 122 LEU CD2 C 13 28.125 0.08 . 2 . . . . 122 LEU Cd* . 25770 1 1121 . 1 1 122 122 LEU N N 15 115.901 0.06 . 1 . . . . 122 LEU N . 25770 1 1122 . 1 1 123 123 ASP H H 1 7.924 0.01 . 1 . . . . 123 ASP H . 25770 1 1123 . 1 1 123 123 ASP HA H 1 4.369 0.01 . 1 . . . . 123 ASP Ha . 25770 1 1124 . 1 1 123 123 ASP HB2 H 1 2.810 0.01 . 2 . . . . 123 ASP Hb2 . 25770 1 1125 . 1 1 123 123 ASP HB3 H 1 2.680 0.01 . 2 . . . . 123 ASP Hb3 . 25770 1 1126 . 1 1 123 123 ASP C C 13 178.136 0.08 . 1 . . . . 123 ASP C . 25770 1 1127 . 1 1 123 123 ASP CA C 13 58.432 0.08 . 1 . . . . 123 ASP Ca . 25770 1 1128 . 1 1 123 123 ASP CB C 13 41.789 0.08 . 1 . . . . 123 ASP Cb . 25770 1 1129 . 1 1 123 123 ASP N N 15 120.482 0.06 . 1 . . . . 123 ASP N . 25770 1 1130 . 1 1 124 124 LEU H H 1 8.413 0.01 . 1 . . . . 124 LEU H . 25770 1 1131 . 1 1 124 124 LEU HA H 1 3.915 0.01 . 1 . . . . 124 LEU Ha . 25770 1 1132 . 1 1 124 124 LEU HB2 H 1 2.184 0.01 . 2 . . . . 124 LEU Hb2 . 25770 1 1133 . 1 1 124 124 LEU HB3 H 1 1.753 0.01 . 2 . . . . 124 LEU Hb3 . 25770 1 1134 . 1 1 124 124 LEU HD11 H 1 0.963 0.01 . 2 . . . . 124 LEU Hd1* . 25770 1 1135 . 1 1 124 124 LEU HD12 H 1 0.963 0.01 . 2 . . . . 124 LEU Hd1* . 25770 1 1136 . 1 1 124 124 LEU HD13 H 1 0.963 0.01 . 2 . . . . 124 LEU Hd1* . 25770 1 1137 . 1 1 124 124 LEU HD21 H 1 0.241 0.01 . 2 . . . . 124 LEU Hd2* . 25770 1 1138 . 1 1 124 124 LEU HD22 H 1 0.241 0.01 . 2 . . . . 124 LEU Hd2* . 25770 1 1139 . 1 1 124 124 LEU HD23 H 1 0.241 0.01 . 2 . . . . 124 LEU Hd2* . 25770 1 1140 . 1 1 124 124 LEU HG H 1 1.276 0.01 . 1 . . . . 124 LEU Hg . 25770 1 1141 . 1 1 124 124 LEU C C 13 177.902 0.08 . 1 . . . . 124 LEU C . 25770 1 1142 . 1 1 124 124 LEU CA C 13 58.096 0.08 . 1 . . . . 124 LEU Ca . 25770 1 1143 . 1 1 124 124 LEU CB C 13 40.298 0.08 . 1 . . . . 124 LEU Cb . 25770 1 1144 . 1 1 124 124 LEU CD1 C 13 25.605 0.08 . 2 . . . . 124 LEU Cd1 . 25770 1 1145 . 1 1 124 124 LEU CD2 C 13 21.703 0.08 . 2 . . . . 124 LEU Cd2 . 25770 1 1146 . 1 1 124 124 LEU N N 15 119.296 0.06 . 1 . . . . 124 LEU N . 25770 1 1147 . 1 1 125 125 LEU H H 1 6.947 0.01 . 1 . . . . 125 LEU H . 25770 1 1148 . 1 1 125 125 LEU HA H 1 3.541 0.01 . 1 . . . . 125 LEU Ha . 25770 1 1149 . 1 1 125 125 LEU HB2 H 1 1.210 0.01 . 2 . . . . 125 LEU Hb2 . 25770 1 1150 . 1 1 125 125 LEU HB3 H 1 0.660 0.01 . 2 . . . . 125 LEU Hb3 . 25770 1 1151 . 1 1 125 125 LEU HD11 H 1 -0.318 0.01 . 2 . . . . 125 LEU Hd1* . 25770 1 1152 . 1 1 125 125 LEU HD12 H 1 -0.318 0.01 . 2 . . . . 125 LEU Hd1* . 25770 1 1153 . 1 1 125 125 LEU HD13 H 1 -0.318 0.01 . 2 . . . . 125 LEU Hd1* . 25770 1 1154 . 1 1 125 125 LEU HD21 H 1 -0.935 0.01 . 2 . . . . 125 LEU Hd2* . 25770 1 1155 . 1 1 125 125 LEU HD22 H 1 -0.935 0.01 . 2 . . . . 125 LEU Hd2* . 25770 1 1156 . 1 1 125 125 LEU HD23 H 1 -0.935 0.01 . 2 . . . . 125 LEU Hd2* . 25770 1 1157 . 1 1 125 125 LEU HG H 1 0.794 0.01 . 1 . . . . 125 LEU Hg . 25770 1 1158 . 1 1 125 125 LEU C C 13 177.203 0.08 . 1 . . . . 125 LEU C . 25770 1 1159 . 1 1 125 125 LEU CA C 13 56.082 0.08 . 1 . . . . 125 LEU Ca . 25770 1 1160 . 1 1 125 125 LEU CB C 13 42.500 0.08 . 1 . . . . 125 LEU Cb . 25770 1 1161 . 1 1 125 125 LEU CD1 C 13 25.467 0.08 . 2 . . . . 125 LEU Cd1 . 25770 1 1162 . 1 1 125 125 LEU CD2 C 13 20.690 0.08 . 2 . . . . 125 LEU Cd2 . 25770 1 1163 . 1 1 125 125 LEU CG C 13 26.270 0.08 . 1 . . . . 125 LEU Cg . 25770 1 1164 . 1 1 125 125 LEU N N 15 115.133 0.06 . 1 . . . . 125 LEU N . 25770 1 1165 . 1 1 126 126 ILE H H 1 8.386 0.01 . 1 . . . . 126 ILE H . 25770 1 1166 . 1 1 126 126 ILE HA H 1 3.746 0.01 . 1 . . . . 126 ILE Ha . 25770 1 1167 . 1 1 126 126 ILE HB H 1 1.675 0.01 . 1 . . . . 126 ILE Hb . 25770 1 1168 . 1 1 126 126 ILE HD11 H 1 0.698 0.01 . 1 . . . . 126 ILE Hd1* . 25770 1 1169 . 1 1 126 126 ILE HD12 H 1 0.698 0.01 . 1 . . . . 126 ILE Hd1* . 25770 1 1170 . 1 1 126 126 ILE HD13 H 1 0.698 0.01 . 1 . . . . 126 ILE Hd1* . 25770 1 1171 . 1 1 126 126 ILE HG21 H 1 0.815 0.01 . 1 . . . . 126 ILE Hg2* . 25770 1 1172 . 1 1 126 126 ILE HG22 H 1 0.815 0.01 . 1 . . . . 126 ILE Hg2* . 25770 1 1173 . 1 1 126 126 ILE HG23 H 1 0.815 0.01 . 1 . . . . 126 ILE Hg2* . 25770 1 1174 . 1 1 126 126 ILE C C 13 179.146 0.08 . 1 . . . . 126 ILE C . 25770 1 1175 . 1 1 126 126 ILE CA C 13 64.249 0.08 . 1 . . . . 126 ILE Ca . 25770 1 1176 . 1 1 126 126 ILE CB C 13 39.416 0.08 . 1 . . . . 126 ILE Cb . 25770 1 1177 . 1 1 126 126 ILE CD1 C 13 13.735 0.08 . 1 . . . . 126 ILE Cd1 . 25770 1 1178 . 1 1 126 126 ILE CG2 C 13 16.996 0.08 . 1 . . . . 126 ILE Cg2 . 25770 1 1179 . 1 1 126 126 ILE N N 15 113.539 0.06 . 1 . . . . 126 ILE N . 25770 1 1180 . 1 1 127 127 ASN H H 1 8.956 0.01 . 1 . . . . 127 ASN H . 25770 1 1181 . 1 1 127 127 ASN HA H 1 5.077 0.01 . 1 . . . . 127 ASN Ha . 25770 1 1182 . 1 1 127 127 ASN HB2 H 1 3.103 0.01 . 2 . . . . 127 ASN Hb* . 25770 1 1183 . 1 1 127 127 ASN HB3 H 1 3.103 0.01 . 2 . . . . 127 ASN Hb* . 25770 1 1184 . 1 1 127 127 ASN C C 13 175.428 0.08 . 1 . . . . 127 ASN C . 25770 1 1185 . 1 1 127 127 ASN CA C 13 54.932 0.08 . 1 . . . . 127 ASN Ca . 25770 1 1186 . 1 1 127 127 ASN CB C 13 40.050 0.08 . 1 . . . . 127 ASN Cb . 25770 1 1187 . 1 1 127 127 ASN N N 15 115.629 0.06 . 1 . . . . 127 ASN N . 25770 1 1188 . 1 1 128 128 TYR H H 1 7.495 0.01 . 1 . . . . 128 TYR H . 25770 1 1189 . 1 1 128 128 TYR HA H 1 5.514 0.01 . 1 . . . . 128 TYR Ha . 25770 1 1190 . 1 1 128 128 TYR HB2 H 1 4.133 0.01 . 2 . . . . 128 TYR Hb2 . 25770 1 1191 . 1 1 128 128 TYR HB3 H 1 2.684 0.01 . 2 . . . . 128 TYR Hb3 . 25770 1 1192 . 1 1 128 128 TYR HD1 H 1 6.755 0.01 . 3 . . . . 128 TYR Hd* . 25770 1 1193 . 1 1 128 128 TYR HD2 H 1 6.755 0.01 . 3 . . . . 128 TYR Hd* . 25770 1 1194 . 1 1 128 128 TYR C C 13 175.464 0.08 . 1 . . . . 128 TYR C . 25770 1 1195 . 1 1 128 128 TYR CA C 13 56.731 0.08 . 1 . . . . 128 TYR Ca . 25770 1 1196 . 1 1 128 128 TYR CB C 13 39.124 0.08 . 1 . . . . 128 TYR Cb . 25770 1 1197 . 1 1 128 128 TYR CD1 C 13 133.163 0.08 . 3 . . . . 128 TYR Cd . 25770 1 1198 . 1 1 128 128 TYR CD2 C 13 133.163 0.08 . 3 . . . . 128 TYR Cd . 25770 1 1199 . 1 1 128 128 TYR N N 15 119.392 0.06 . 1 . . . . 128 TYR N . 25770 1 1200 . 1 1 129 129 SER H H 1 9.383 0.01 . 1 . . . . 129 SER H . 25770 1 1201 . 1 1 129 129 SER HA H 1 4.953 0.01 . 1 . . . . 129 SER Ha . 25770 1 1202 . 1 1 129 129 SER HB2 H 1 4.008 0.01 . 2 . . . . 129 SER Hb2 . 25770 1 1203 . 1 1 129 129 SER HB3 H 1 3.704 0.01 . 2 . . . . 129 SER Hb3 . 25770 1 1204 . 1 1 129 129 SER C C 13 173.207 0.08 . 1 . . . . 129 SER C . 25770 1 1205 . 1 1 129 129 SER CA C 13 55.777 0.08 . 1 . . . . 129 SER Ca . 25770 1 1206 . 1 1 129 129 SER CB C 13 66.364 0.08 . 1 . . . . 129 SER Cb . 25770 1 1207 . 1 1 129 129 SER N N 15 113.630 0.06 . 1 . . . . 129 SER N . 25770 1 1208 . 1 1 130 130 ALA H H 1 7.279 0.01 . 1 . . . . 130 ALA H . 25770 1 1209 . 1 1 130 130 ALA HA H 1 4.909 0.01 . 1 . . . . 130 ALA Ha . 25770 1 1210 . 1 1 130 130 ALA HB1 H 1 -0.542 0.01 . 1 . . . . 130 ALA Hb* . 25770 1 1211 . 1 1 130 130 ALA HB2 H 1 -0.542 0.01 . 1 . . . . 130 ALA Hb* . 25770 1 1212 . 1 1 130 130 ALA HB3 H 1 -0.542 0.01 . 1 . . . . 130 ALA Hb* . 25770 1 1213 . 1 1 130 130 ALA C C 13 175.117 0.08 . 1 . . . . 130 ALA C . 25770 1 1214 . 1 1 130 130 ALA CA C 13 49.716 0.08 . 1 . . . . 130 ALA Ca . 25770 1 1215 . 1 1 130 130 ALA CB C 13 20.807 0.08 . 1 . . . . 130 ALA Cb . 25770 1 1216 . 1 1 130 130 ALA N N 15 122.563 0.06 . 1 . . . . 130 ALA N . 25770 1 1217 . 1 1 131 131 ARG H H 1 8.721 0.01 . 1 . . . . 131 ARG H . 25770 1 1218 . 1 1 131 131 ARG HA H 1 4.862 0.01 . 1 . . . . 131 ARG Ha . 25770 1 1219 . 1 1 131 131 ARG HB2 H 1 1.067 0.01 . 2 . . . . 131 ARG Hb* . 25770 1 1220 . 1 1 131 131 ARG HB3 H 1 1.067 0.01 . 2 . . . . 131 ARG Hb* . 25770 1 1221 . 1 1 131 131 ARG C C 13 173.639 0.08 . 1 . . . . 131 ARG C . 25770 1 1222 . 1 1 131 131 ARG CA C 13 53.828 0.08 . 1 . . . . 131 ARG Ca . 25770 1 1223 . 1 1 131 131 ARG CB C 13 33.648 0.08 . 1 . . . . 131 ARG Cb . 25770 1 1224 . 1 1 131 131 ARG N N 15 121.907 0.06 . 1 . . . . 131 ARG N . 25770 1 1225 . 1 1 132 132 MET H H 1 8.660 0.01 . 1 . . . . 132 MET H . 25770 1 1226 . 1 1 132 132 MET HA H 1 4.719 0.01 . 1 . . . . 132 MET Ha . 25770 1 1227 . 1 1 132 132 MET HB2 H 1 1.972 0.01 . 2 . . . . 132 MET Hb2 . 25770 1 1228 . 1 1 132 132 MET HB3 H 1 1.546 0.01 . 2 . . . . 132 MET Hb3 . 25770 1 1229 . 1 1 132 132 MET HE1 H 1 1.920 0.01 . 1 . . . . 132 MET He* . 25770 1 1230 . 1 1 132 132 MET HE2 H 1 1.920 0.01 . 1 . . . . 132 MET He* . 25770 1 1231 . 1 1 132 132 MET HE3 H 1 1.920 0.01 . 1 . . . . 132 MET He* . 25770 1 1232 . 1 1 132 132 MET HG2 H 1 2.278 0.01 . 2 . . . . 132 MET Hg* . 25770 1 1233 . 1 1 132 132 MET HG3 H 1 2.278 0.01 . 2 . . . . 132 MET Hg* . 25770 1 1234 . 1 1 132 132 MET C C 13 176.007 0.08 . 1 . . . . 132 MET C . 25770 1 1235 . 1 1 132 132 MET CA C 13 54.421 0.08 . 1 . . . . 132 MET Ca . 25770 1 1236 . 1 1 132 132 MET CB C 13 35.411 0.08 . 1 . . . . 132 MET Cb . 25770 1 1237 . 1 1 132 132 MET CE C 13 17.458 0.08 . 1 . . . . 132 MET Ce . 25770 1 1238 . 1 1 132 132 MET CG C 13 31.957 0.08 . 1 . . . . 132 MET Cg . 25770 1 1239 . 1 1 132 132 MET N N 15 124.524 0.06 . 1 . . . . 132 MET N . 25770 1 1240 . 1 1 133 133 GLY H H 1 9.131 0.01 . 1 . . . . 133 GLY H . 25770 1 1241 . 1 1 133 133 GLY HA2 H 1 3.919 0.01 . 2 . . . . 133 GLY Ha2 . 25770 1 1242 . 1 1 133 133 GLY HA3 H 1 3.555 0.01 . 2 . . . . 133 GLY Ha3 . 25770 1 1243 . 1 1 133 133 GLY C C 13 174.120 0.08 . 1 . . . . 133 GLY C . 25770 1 1244 . 1 1 133 133 GLY CA C 13 47.257 0.08 . 1 . . . . 133 GLY Ca . 25770 1 1245 . 1 1 133 133 GLY N N 15 117.984 0.06 . 1 . . . . 133 GLY N . 25770 1 1246 . 1 1 134 134 ASN H H 1 8.864 0.01 . 1 . . . . 134 ASN H . 25770 1 1247 . 1 1 134 134 ASN HA H 1 4.656 0.01 . 1 . . . . 134 ASN Ha . 25770 1 1248 . 1 1 134 134 ASN HB2 H 1 2.869 0.01 . 2 . . . . 134 ASN Hb2 . 25770 1 1249 . 1 1 134 134 ASN HB3 H 1 2.711 0.01 . 2 . . . . 134 ASN Hb3 . 25770 1 1250 . 1 1 134 134 ASN C C 13 174.323 0.08 . 1 . . . . 134 ASN C . 25770 1 1251 . 1 1 134 134 ASN CA C 13 52.770 0.08 . 1 . . . . 134 ASN Ca . 25770 1 1252 . 1 1 134 134 ASN CB C 13 38.918 0.08 . 1 . . . . 134 ASN Cb . 25770 1 1253 . 1 1 134 134 ASN N N 15 124.767 0.06 . 1 . . . . 134 ASN N . 25770 1 1254 . 1 1 135 135 VAL H H 1 7.785 0.01 . 1 . . . . 135 VAL H . 25770 1 1255 . 1 1 135 135 VAL HA H 1 4.155 0.01 . 1 . . . . 135 VAL Ha . 25770 1 1256 . 1 1 135 135 VAL HB H 1 2.120 0.01 . 1 . . . . 135 VAL Hb . 25770 1 1257 . 1 1 135 135 VAL HG11 H 1 0.940 0.01 . 2 . . . . 135 VAL Hg1* . 25770 1 1258 . 1 1 135 135 VAL HG12 H 1 0.940 0.01 . 2 . . . . 135 VAL Hg1* . 25770 1 1259 . 1 1 135 135 VAL HG13 H 1 0.940 0.01 . 2 . . . . 135 VAL Hg1* . 25770 1 1260 . 1 1 135 135 VAL HG21 H 1 0.846 0.01 . 2 . . . . 135 VAL Hg2* . 25770 1 1261 . 1 1 135 135 VAL HG22 H 1 0.846 0.01 . 2 . . . . 135 VAL Hg2* . 25770 1 1262 . 1 1 135 135 VAL HG23 H 1 0.846 0.01 . 2 . . . . 135 VAL Hg2* . 25770 1 1263 . 1 1 135 135 VAL C C 13 174.940 0.08 . 1 . . . . 135 VAL C . 25770 1 1264 . 1 1 135 135 VAL CA C 13 61.721 0.08 . 1 . . . . 135 VAL Ca . 25770 1 1265 . 1 1 135 135 VAL CB C 13 33.843 0.08 . 1 . . . . 135 VAL Cb . 25770 1 1266 . 1 1 135 135 VAL CG1 C 13 21.267 0.08 . 2 . . . . 135 VAL Cg1 . 25770 1 1267 . 1 1 135 135 VAL CG2 C 13 21.415 0.08 . 2 . . . . 135 VAL Cg2 . 25770 1 1268 . 1 1 135 135 VAL N N 15 119.979 0.06 . 1 . . . . 135 VAL N . 25770 1 1269 . 1 1 136 136 TYR H H 1 8.661 0.01 . 1 . . . . 136 TYR H . 25770 1 1270 . 1 1 136 136 TYR HA H 1 4.551 0.01 . 1 . . . . 136 TYR Ha . 25770 1 1271 . 1 1 136 136 TYR HB2 H 1 2.739 0.01 . 2 . . . . 136 TYR Hb2 . 25770 1 1272 . 1 1 136 136 TYR HB3 H 1 2.500 0.01 . 2 . . . . 136 TYR Hb3 . 25770 1 1273 . 1 1 136 136 TYR C C 13 175.524 0.08 . 1 . . . . 136 TYR C . 25770 1 1274 . 1 1 136 136 TYR CA C 13 59.066 0.08 . 1 . . . . 136 TYR Ca . 25770 1 1275 . 1 1 136 136 TYR CB C 13 38.737 0.08 . 1 . . . . 136 TYR Cb . 25770 1 1276 . 1 1 136 136 TYR N N 15 125.170 0.06 . 1 . . . . 136 TYR N . 25770 1 1277 . 1 1 137 137 LEU H H 1 8.808 0.01 . 1 . . . . 137 LEU H . 25770 1 1278 . 1 1 137 137 LEU HA H 1 4.256 0.01 . 1 . . . . 137 LEU Ha . 25770 1 1279 . 1 1 137 137 LEU HB2 H 1 1.186 0.01 . 2 . . . . 137 LEU Hb2 . 25770 1 1280 . 1 1 137 137 LEU HB3 H 1 1.469 0.01 . 2 . . . . 137 LEU Hb3 . 25770 1 1281 . 1 1 137 137 LEU HD11 H 1 0.627 0.01 . 2 . . . . 137 LEU Hd1* . 25770 1 1282 . 1 1 137 137 LEU HD12 H 1 0.627 0.01 . 2 . . . . 137 LEU Hd1* . 25770 1 1283 . 1 1 137 137 LEU HD13 H 1 0.627 0.01 . 2 . . . . 137 LEU Hd1* . 25770 1 1284 . 1 1 137 137 LEU HD21 H 1 0.559 0.01 . 2 . . . . 137 LEU Hd2* . 25770 1 1285 . 1 1 137 137 LEU HD22 H 1 0.559 0.01 . 2 . . . . 137 LEU Hd2* . 25770 1 1286 . 1 1 137 137 LEU HD23 H 1 0.559 0.01 . 2 . . . . 137 LEU Hd2* . 25770 1 1287 . 1 1 137 137 LEU C C 13 178.099 0.08 . 1 . . . . 137 LEU C . 25770 1 1288 . 1 1 137 137 LEU CA C 13 56.171 0.08 . 1 . . . . 137 LEU Ca . 25770 1 1289 . 1 1 137 137 LEU CB C 13 43.828 0.08 . 1 . . . . 137 LEU Cb . 25770 1 1290 . 1 1 137 137 LEU CD1 C 13 23.314 0.08 . 2 . . . . 137 LEU Cd1 . 25770 1 1291 . 1 1 137 137 LEU CD2 C 13 25.634 0.08 . 2 . . . . 137 LEU Cd2 . 25770 1 1292 . 1 1 137 137 LEU N N 15 122.467 0.06 . 1 . . . . 137 LEU N . 25770 1 1293 . 1 1 138 138 TRP HB2 H 1 3.517 0.01 . 2 . . . . 138 TRP Hb* . 25770 1 1294 . 1 1 138 138 TRP HB3 H 1 3.517 0.01 . 2 . . . . 138 TRP Hb* . 25770 1 1295 . 1 1 138 138 TRP HD1 H 1 7.452 0.01 . 1 . . . . 138 TRP Hd1 . 25770 1 1296 . 1 1 138 138 TRP HE1 H 1 8.861 0.01 . 1 . . . . 138 TRP He1 . 25770 1 1297 . 1 1 138 138 TRP HH2 H 1 6.467 0.01 . 1 . . . . 138 TRP Hh2 . 25770 1 1298 . 1 1 138 138 TRP HZ2 H 1 6.650 0.01 . 1 . . . . 138 TRP Hz2 . 25770 1 1299 . 1 1 138 138 TRP CD1 C 13 129.800 0.08 . 1 . . . . 138 TRP Cd1 . 25770 1 1300 . 1 1 138 138 TRP CZ2 C 13 113.540 0.08 . 1 . . . . 138 TRP Cz2 . 25770 1 1301 . 1 1 138 138 TRP NE1 N 15 129.312 0.06 . 1 . . . . 138 TRP Ne1 . 25770 1 1302 . 1 1 141 141 LEU HA H 1 4.181 0.01 . 1 . . . . 141 LEU Ha . 25770 1 1303 . 1 1 141 141 LEU HB2 H 1 1.414 0.01 . 2 . . . . 141 LEU Hb2 . 25770 1 1304 . 1 1 141 141 LEU HB3 H 1 1.287 0.01 . 2 . . . . 141 LEU Hb3 . 25770 1 1305 . 1 1 141 141 LEU HD11 H 1 0.479 0.01 . 2 . . . . 141 LEU Hd1* . 25770 1 1306 . 1 1 141 141 LEU HD12 H 1 0.479 0.01 . 2 . . . . 141 LEU Hd1* . 25770 1 1307 . 1 1 141 141 LEU HD13 H 1 0.479 0.01 . 2 . . . . 141 LEU Hd1* . 25770 1 1308 . 1 1 141 141 LEU HD21 H 1 0.364 0.01 . 2 . . . . 141 LEU Hd2* . 25770 1 1309 . 1 1 141 141 LEU HD22 H 1 0.364 0.01 . 2 . . . . 141 LEU Hd2* . 25770 1 1310 . 1 1 141 141 LEU HD23 H 1 0.364 0.01 . 2 . . . . 141 LEU Hd2* . 25770 1 1311 . 1 1 141 141 LEU HG H 1 1.357 0.01 . 1 . . . . 141 LEU Hg . 25770 1 1312 . 1 1 141 141 LEU C C 13 177.036 0.08 . 1 . . . . 141 LEU C . 25770 1 1313 . 1 1 141 141 LEU CA C 13 54.663 0.08 . 1 . . . . 141 LEU Ca . 25770 1 1314 . 1 1 141 141 LEU CB C 13 42.580 0.08 . 1 . . . . 141 LEU Cb . 25770 1 1315 . 1 1 141 141 LEU CD1 C 13 24.740 0.08 . 2 . . . . 141 LEU Cd1 . 25770 1 1316 . 1 1 141 141 LEU CD2 C 13 22.975 0.08 . 2 . . . . 141 LEU Cd2 . 25770 1 1317 . 1 1 141 141 LEU CG C 13 27.052 0.08 . 1 . . . . 141 LEU Cg . 25770 1 1318 . 1 1 142 142 ASN H H 1 8.363 0.01 . 1 . . . . 142 ASN H . 25770 1 1319 . 1 1 142 142 ASN HA H 1 4.593 0.01 . 1 . . . . 142 ASN Ha . 25770 1 1320 . 1 1 142 142 ASN HB2 H 1 2.742 0.01 . 2 . . . . 142 ASN Hb* . 25770 1 1321 . 1 1 142 142 ASN HB3 H 1 2.742 0.01 . 2 . . . . 142 ASN Hb* . 25770 1 1322 . 1 1 142 142 ASN HD21 H 1 7.592 0.01 . 2 . . . . 142 ASN Hd21 . 25770 1 1323 . 1 1 142 142 ASN HD22 H 1 6.928 0.01 . 2 . . . . 142 ASN Hd22 . 25770 1 1324 . 1 1 142 142 ASN C C 13 175.289 0.08 . 1 . . . . 142 ASN C . 25770 1 1325 . 1 1 142 142 ASN CA C 13 53.157 0.08 . 1 . . . . 142 ASN Ca . 25770 1 1326 . 1 1 142 142 ASN CB C 13 39.172 0.08 . 1 . . . . 142 ASN Cb . 25770 1 1327 . 1 1 142 142 ASN N N 15 119.014 0.06 . 1 . . . . 142 ASN N . 25770 1 1328 . 1 1 142 142 ASN ND2 N 15 112.829 0.06 . 1 . . . . 142 ASN Nd2 . 25770 1 1329 . 1 1 143 143 GLU H H 1 8.442 0.01 . 1 . . . . 143 GLU H . 25770 1 1330 . 1 1 143 143 GLU HA H 1 4.188 0.01 . 1 . . . . 143 GLU Ha . 25770 1 1331 . 1 1 143 143 GLU HB2 H 1 2.051 0.01 . 2 . . . . 143 GLU Hb2 . 25770 1 1332 . 1 1 143 143 GLU HB3 H 1 1.921 0.01 . 2 . . . . 143 GLU Hb3 . 25770 1 1333 . 1 1 143 143 GLU C C 13 176.729 0.08 . 1 . . . . 143 GLU C . 25770 1 1334 . 1 1 143 143 GLU CA C 13 57.288 0.08 . 1 . . . . 143 GLU Ca . 25770 1 1335 . 1 1 143 143 GLU CB C 13 30.134 0.08 . 1 . . . . 143 GLU Cb . 25770 1 1336 . 1 1 143 143 GLU N N 15 121.100 0.06 . 1 . . . . 143 GLU N . 25770 1 1337 . 1 1 144 144 SER H H 1 8.326 0.01 . 1 . . . . 144 SER H . 25770 1 1338 . 1 1 144 144 SER HA H 1 4.328 0.01 . 1 . . . . 144 SER Ha . 25770 1 1339 . 1 1 144 144 SER HB2 H 1 3.813 0.01 . 2 . . . . 144 SER Hb* . 25770 1 1340 . 1 1 144 144 SER HB3 H 1 3.813 0.01 . 2 . . . . 144 SER Hb* . 25770 1 1341 . 1 1 144 144 SER C C 13 174.764 0.08 . 1 . . . . 144 SER C . 25770 1 1342 . 1 1 144 144 SER CA C 13 59.156 0.08 . 1 . . . . 144 SER Ca . 25770 1 1343 . 1 1 144 144 SER CB C 13 63.600 0.08 . 1 . . . . 144 SER Cb . 25770 1 1344 . 1 1 144 144 SER N N 15 115.943 0.06 . 1 . . . . 144 SER N . 25770 1 1345 . 1 1 145 145 ASN H H 1 8.288 0.01 . 1 . . . . 145 ASN H . 25770 1 1346 . 1 1 145 145 ASN HA H 1 4.636 0.01 . 1 . . . . 145 ASN Ha . 25770 1 1347 . 1 1 145 145 ASN HB2 H 1 2.662 0.01 . 2 . . . . 145 ASN Hb* . 25770 1 1348 . 1 1 145 145 ASN HB3 H 1 2.662 0.01 . 2 . . . . 145 ASN Hb* . 25770 1 1349 . 1 1 145 145 ASN HD21 H 1 7.471 0.01 . 2 . . . . 145 ASN Hd21 . 25770 1 1350 . 1 1 145 145 ASN HD22 H 1 6.852 0.01 . 2 . . . . 145 ASN Hd22 . 25770 1 1351 . 1 1 145 145 ASN C C 13 175.232 0.08 . 1 . . . . 145 ASN C . 25770 1 1352 . 1 1 145 145 ASN CA C 13 53.696 0.08 . 1 . . . . 145 ASN Ca . 25770 1 1353 . 1 1 145 145 ASN CB C 13 38.835 0.08 . 1 . . . . 145 ASN Cb . 25770 1 1354 . 1 1 145 145 ASN N N 15 120.066 0.06 . 1 . . . . 145 ASN N . 25770 1 1355 . 1 1 145 145 ASN ND2 N 15 112.260 0.06 . 1 . . . . 145 ASN Nd2 . 25770 1 1356 . 1 1 146 146 TYR H H 1 7.956 0.01 . 1 . . . . 146 TYR H . 25770 1 1357 . 1 1 146 146 TYR HA H 1 4.462 0.01 . 1 . . . . 146 TYR Ha . 25770 1 1358 . 1 1 146 146 TYR HB2 H 1 3.010 0.01 . 2 . . . . 146 TYR Hb2 . 25770 1 1359 . 1 1 146 146 TYR HB3 H 1 2.931 0.01 . 2 . . . . 146 TYR Hb3 . 25770 1 1360 . 1 1 146 146 TYR HD1 H 1 7.021 0.01 . 3 . . . . 146 TYR Hd* . 25770 1 1361 . 1 1 146 146 TYR HD2 H 1 7.021 0.01 . 3 . . . . 146 TYR Hd* . 25770 1 1362 . 1 1 146 146 TYR C C 13 175.926 0.08 . 1 . . . . 146 TYR C . 25770 1 1363 . 1 1 146 146 TYR CA C 13 58.614 0.08 . 1 . . . . 146 TYR Ca . 25770 1 1364 . 1 1 146 146 TYR CB C 13 38.510 0.08 . 1 . . . . 146 TYR Cb . 25770 1 1365 . 1 1 146 146 TYR N N 15 119.945 0.06 . 1 . . . . 146 TYR N . 25770 1 1366 . 1 1 147 147 LYS H H 1 7.997 0.01 . 1 . . . . 147 LYS H . 25770 1 1367 . 1 1 147 147 LYS HA H 1 4.244 0.01 . 1 . . . . 147 LYS Ha . 25770 1 1368 . 1 1 147 147 LYS HB2 H 1 1.768 0.01 . 2 . . . . 147 LYS Hb2 . 25770 1 1369 . 1 1 147 147 LYS HB3 H 1 1.691 0.01 . 2 . . . . 147 LYS Hb3 . 25770 1 1370 . 1 1 147 147 LYS C C 13 176.758 0.08 . 1 . . . . 147 LYS C . 25770 1 1371 . 1 1 147 147 LYS CA C 13 56.756 0.08 . 1 . . . . 147 LYS Ca . 25770 1 1372 . 1 1 147 147 LYS CB C 13 32.963 0.08 . 1 . . . . 147 LYS Cb . 25770 1 1373 . 1 1 147 147 LYS N N 15 121.716 0.06 . 1 . . . . 147 LYS N . 25770 1 1374 . 1 1 148 148 THR H H 1 7.953 0.01 . 1 . . . . 148 THR H . 25770 1 1375 . 1 1 148 148 THR HA H 1 4.237 0.01 . 1 . . . . 148 THR Ha . 25770 1 1376 . 1 1 148 148 THR HB H 1 4.202 0.01 . 1 . . . . 148 THR Hb . 25770 1 1377 . 1 1 148 148 THR HG21 H 1 1.177 0.01 . 1 . . . . 148 THR Hg2* . 25770 1 1378 . 1 1 148 148 THR HG22 H 1 1.177 0.01 . 1 . . . . 148 THR Hg2* . 25770 1 1379 . 1 1 148 148 THR HG23 H 1 1.177 0.01 . 1 . . . . 148 THR Hg2* . 25770 1 1380 . 1 1 148 148 THR C C 13 174.653 0.08 . 1 . . . . 148 THR C . 25770 1 1381 . 1 1 148 148 THR CA C 13 62.292 0.08 . 1 . . . . 148 THR Ca . 25770 1 1382 . 1 1 148 148 THR CB C 13 69.642 0.08 . 1 . . . . 148 THR Cb . 25770 1 1383 . 1 1 148 148 THR CG2 C 13 21.729 0.08 . 1 . . . . 148 THR Cg2 . 25770 1 1384 . 1 1 148 148 THR N N 15 114.129 0.06 . 1 . . . . 148 THR N . 25770 1 1385 . 1 1 149 149 GLN H H 1 8.270 0.01 . 1 . . . . 149 GLN H . 25770 1 1386 . 1 1 149 149 GLN HA H 1 4.329 0.01 . 1 . . . . 149 GLN Ha . 25770 1 1387 . 1 1 149 149 GLN HE21 H 1 7.451 0.01 . 2 . . . . 149 GLN He21 . 25770 1 1388 . 1 1 149 149 GLN HE22 H 1 6.808 0.01 . 2 . . . . 149 GLN He22 . 25770 1 1389 . 1 1 149 149 GLN C C 13 175.848 0.08 . 1 . . . . 149 GLN C . 25770 1 1390 . 1 1 149 149 GLN CA C 13 56.015 0.08 . 1 . . . . 149 GLN Ca . 25770 1 1391 . 1 1 149 149 GLN CB C 13 29.475 0.08 . 1 . . . . 149 GLN Cb . 25770 1 1392 . 1 1 149 149 GLN CD C 13 180.346 0.08 . 1 . . . . 149 GLN Cd . 25770 1 1393 . 1 1 149 149 GLN CG C 13 33.679 0.08 . 1 . . . . 149 GLN Cg . 25770 1 1394 . 1 1 149 149 GLN N N 15 122.125 0.06 . 1 . . . . 149 GLN N . 25770 1 1395 . 1 1 149 149 GLN NE2 N 15 111.853 0.06 . 1 . . . . 149 GLN Ne2 . 25770 1 1396 . 1 1 150 150 CYS H H 1 8.286 0.01 . 1 . . . . 150 CYS H . 25770 1 1397 . 1 1 150 150 CYS HA H 1 4.446 0.01 . 1 . . . . 150 CYS Ha . 25770 1 1398 . 1 1 150 150 CYS HB2 H 1 2.858 0.01 . 2 . . . . 150 CYS Hb* . 25770 1 1399 . 1 1 150 150 CYS HB3 H 1 2.858 0.01 . 2 . . . . 150 CYS Hb* . 25770 1 1400 . 1 1 150 150 CYS C C 13 174.706 0.08 . 1 . . . . 150 CYS C . 25770 1 1401 . 1 1 150 150 CYS CA C 13 58.770 0.08 . 1 . . . . 150 CYS Ca . 25770 1 1402 . 1 1 150 150 CYS CB C 13 27.981 0.08 . 1 . . . . 150 CYS Cb . 25770 1 1403 . 1 1 150 150 CYS N N 15 120.538 0.06 . 1 . . . . 150 CYS N . 25770 1 1404 . 1 1 151 151 LYS H H 1 8.405 0.01 . 1 . . . . 151 LYS H . 25770 1 1405 . 1 1 151 151 LYS HA H 1 4.348 0.01 . 1 . . . . 151 LYS Ha . 25770 1 1406 . 1 1 151 151 LYS C C 13 176.620 0.08 . 1 . . . . 151 LYS C . 25770 1 1407 . 1 1 151 151 LYS CA C 13 56.462 0.08 . 1 . . . . 151 LYS Ca . 25770 1 1408 . 1 1 151 151 LYS CB C 13 33.041 0.08 . 1 . . . . 151 LYS Cb . 25770 1 1409 . 1 1 151 151 LYS N N 15 123.954 0.06 . 1 . . . . 151 LYS N . 25770 1 1410 . 1 1 152 152 SER H H 1 8.378 0.01 . 1 . . . . 152 SER H . 25770 1 1411 . 1 1 152 152 SER HA H 1 4.438 0.01 . 1 . . . . 152 SER Ha . 25770 1 1412 . 1 1 152 152 SER HB2 H 1 3.880 0.01 . 2 . . . . 152 SER Hb* . 25770 1 1413 . 1 1 152 152 SER HB3 H 1 3.880 0.01 . 2 . . . . 152 SER Hb* . 25770 1 1414 . 1 1 152 152 SER C C 13 174.805 0.08 . 1 . . . . 152 SER C . 25770 1 1415 . 1 1 152 152 SER CA C 13 58.542 0.08 . 1 . . . . 152 SER Ca . 25770 1 1416 . 1 1 152 152 SER CB C 13 63.827 0.08 . 1 . . . . 152 SER Cb . 25770 1 1417 . 1 1 152 152 SER N N 15 117.173 0.06 . 1 . . . . 152 SER N . 25770 1 1418 . 1 1 153 153 SER H H 1 8.344 0.01 . 1 . . . . 153 SER H . 25770 1 1419 . 1 1 153 153 SER HA H 1 4.420 0.01 . 1 . . . . 153 SER Ha . 25770 1 1420 . 1 1 153 153 SER HB2 H 1 3.903 0.01 . 2 . . . . 153 SER Hb2 . 25770 1 1421 . 1 1 153 153 SER HB3 H 1 3.838 0.01 . 2 . . . . 153 SER Hb3 . 25770 1 1422 . 1 1 153 153 SER C C 13 174.625 0.08 . 1 . . . . 153 SER C . 25770 1 1423 . 1 1 153 153 SER CA C 13 58.699 0.08 . 1 . . . . 153 SER Ca . 25770 1 1424 . 1 1 153 153 SER CB C 13 63.770 0.08 . 1 . . . . 153 SER Cb . 25770 1 1425 . 1 1 153 153 SER N N 15 117.528 0.06 . 1 . . . . 153 SER N . 25770 1 1426 . 1 1 154 154 GLU H H 1 8.324 0.01 . 1 . . . . 154 GLU H . 25770 1 1427 . 1 1 154 154 GLU HA H 1 4.226 0.01 . 1 . . . . 154 GLU Ha . 25770 1 1428 . 1 1 154 154 GLU HB2 H 1 2.031 0.01 . 2 . . . . 154 GLU Hb2 . 25770 1 1429 . 1 1 154 154 GLU HB3 H 1 1.900 0.01 . 2 . . . . 154 GLU Hb3 . 25770 1 1430 . 1 1 154 154 GLU C C 13 176.057 0.08 . 1 . . . . 154 GLU C . 25770 1 1431 . 1 1 154 154 GLU CA C 13 56.920 0.08 . 1 . . . . 154 GLU Ca . 25770 1 1432 . 1 1 154 154 GLU CB C 13 30.215 0.08 . 1 . . . . 154 GLU Cb . 25770 1 1433 . 1 1 154 154 GLU N N 15 121.995 0.06 . 1 . . . . 154 GLU N . 25770 1 1434 . 1 1 155 155 ASN H H 1 8.275 0.01 . 1 . . . . 155 ASN H . 25770 1 1435 . 1 1 155 155 ASN HA H 1 4.587 0.01 . 1 . . . . 155 ASN Ha . 25770 1 1436 . 1 1 155 155 ASN HB2 H 1 2.690 0.01 . 2 . . . . 155 ASN Hb* . 25770 1 1437 . 1 1 155 155 ASN HB3 H 1 2.690 0.01 . 2 . . . . 155 ASN Hb* . 25770 1 1438 . 1 1 155 155 ASN HD21 H 1 7.470 0.01 . 2 . . . . 155 ASN Hd21 . 25770 1 1439 . 1 1 155 155 ASN HD22 H 1 6.849 0.01 . 2 . . . . 155 ASN Hd22 . 25770 1 1440 . 1 1 155 155 ASN C C 13 174.744 0.08 . 1 . . . . 155 ASN C . 25770 1 1441 . 1 1 155 155 ASN CA C 13 53.305 0.08 . 1 . . . . 155 ASN Ca . 25770 1 1442 . 1 1 155 155 ASN CB C 13 38.820 0.08 . 1 . . . . 155 ASN Cb . 25770 1 1443 . 1 1 155 155 ASN N N 15 118.818 0.06 . 1 . . . . 155 ASN N . 25770 1 1444 . 1 1 155 155 ASN ND2 N 15 111.945 0.06 . 1 . . . . 155 ASN Nd2 . 25770 1 1445 . 1 1 156 156 LEU H H 1 7.966 0.01 . 1 . . . . 156 LEU H . 25770 1 1446 . 1 1 156 156 LEU HA H 1 4.183 0.01 . 1 . . . . 156 LEU Ha . 25770 1 1447 . 1 1 156 156 LEU HB2 H 1 1.407 0.01 . 2 . . . . 156 LEU Hb2 . 25770 1 1448 . 1 1 156 156 LEU HB3 H 1 1.281 0.01 . 2 . . . . 156 LEU Hb3 . 25770 1 1449 . 1 1 156 156 LEU HD11 H 1 0.824 0.01 . 2 . . . . 156 LEU Hd1* . 25770 1 1450 . 1 1 156 156 LEU HD12 H 1 0.824 0.01 . 2 . . . . 156 LEU Hd1* . 25770 1 1451 . 1 1 156 156 LEU HD13 H 1 0.824 0.01 . 2 . . . . 156 LEU Hd1* . 25770 1 1452 . 1 1 156 156 LEU HD21 H 1 0.756 0.01 . 2 . . . . 156 LEU Hd2* . 25770 1 1453 . 1 1 156 156 LEU HD22 H 1 0.756 0.01 . 2 . . . . 156 LEU Hd2* . 25770 1 1454 . 1 1 156 156 LEU HD23 H 1 0.756 0.01 . 2 . . . . 156 LEU Hd2* . 25770 1 1455 . 1 1 156 156 LEU HG H 1 1.413 0.01 . 1 . . . . 156 LEU Hg . 25770 1 1456 . 1 1 156 156 LEU C C 13 176.625 0.08 . 1 . . . . 156 LEU C . 25770 1 1457 . 1 1 156 156 LEU CA C 13 55.284 0.08 . 1 . . . . 156 LEU Ca . 25770 1 1458 . 1 1 156 156 LEU CB C 13 42.463 0.08 . 1 . . . . 156 LEU Cb . 25770 1 1459 . 1 1 156 156 LEU CD1 C 13 24.976 0.08 . 2 . . . . 156 LEU Cd1 . 25770 1 1460 . 1 1 156 156 LEU CD2 C 13 23.501 0.08 . 2 . . . . 156 LEU Cd2 . 25770 1 1461 . 1 1 156 156 LEU CG C 13 26.992 0.08 . 1 . . . . 156 LEU Cg . 25770 1 1462 . 1 1 156 156 LEU N N 15 121.968 0.06 . 1 . . . . 156 LEU N . 25770 1 1463 . 1 1 157 157 TYR H H 1 7.928 0.01 . 1 . . . . 157 TYR H . 25770 1 1464 . 1 1 157 157 TYR HA H 1 4.487 0.01 . 1 . . . . 157 TYR Ha . 25770 1 1465 . 1 1 157 157 TYR HB2 H 1 2.928 0.01 . 2 . . . . 157 TYR Hb2 . 25770 1 1466 . 1 1 157 157 TYR HB3 H 1 2.784 0.01 . 2 . . . . 157 TYR Hb3 . 25770 1 1467 . 1 1 157 157 TYR C C 13 175.158 0.08 . 1 . . . . 157 TYR C . 25770 1 1468 . 1 1 157 157 TYR CA C 13 57.626 0.08 . 1 . . . . 157 TYR Ca . 25770 1 1469 . 1 1 157 157 TYR CB C 13 38.800 0.08 . 1 . . . . 157 TYR Cb . 25770 1 1470 . 1 1 157 157 TYR N N 15 119.459 0.06 . 1 . . . . 157 TYR N . 25770 1 1471 . 1 1 158 158 PHE H H 1 7.946 0.01 . 1 . . . . 158 PHE H . 25770 1 1472 . 1 1 158 158 PHE HA H 1 4.570 0.01 . 1 . . . . 158 PHE Ha . 25770 1 1473 . 1 1 158 158 PHE HB2 H 1 3.127 0.01 . 2 . . . . 158 PHE Hb2 . 25770 1 1474 . 1 1 158 158 PHE HB3 H 1 2.932 0.01 . 2 . . . . 158 PHE Hb3 . 25770 1 1475 . 1 1 158 158 PHE HD1 H 1 7.172 0.01 . 3 . . . . 158 PHE Hd* . 25770 1 1476 . 1 1 158 158 PHE HD2 H 1 7.172 0.01 . 3 . . . . 158 PHE Hd* . 25770 1 1477 . 1 1 158 158 PHE C C 13 174.400 0.08 . 1 . . . . 158 PHE C . 25770 1 1478 . 1 1 158 158 PHE CA C 13 57.545 0.08 . 1 . . . . 158 PHE Ca . 25770 1 1479 . 1 1 158 158 PHE CB C 13 39.523 0.08 . 1 . . . . 158 PHE Cb . 25770 1 1480 . 1 1 158 158 PHE N N 15 121.239 0.06 . 1 . . . . 158 PHE N . 25770 1 1481 . 1 1 159 159 GLN H H 1 7.703 0.01 . 1 . . . . 159 GLN H . 25770 1 1482 . 1 1 159 159 GLN HA H 1 4.095 0.01 . 1 . . . . 159 GLN Ha . 25770 1 1483 . 1 1 159 159 GLN HB2 H 1 2.047 0.01 . 2 . . . . 159 GLN Hb2 . 25770 1 1484 . 1 1 159 159 GLN HB3 H 1 1.871 0.01 . 2 . . . . 159 GLN Hb3 . 25770 1 1485 . 1 1 159 159 GLN HE21 H 1 7.455 0.01 . 2 . . . . 159 GLN He21 . 25770 1 1486 . 1 1 159 159 GLN HE22 H 1 6.767 0.01 . 2 . . . . 159 GLN He22 . 25770 1 1487 . 1 1 159 159 GLN HG2 H 1 2.204 0.01 . 1 . . . . 159 GLN Hg2 . 25770 1 1488 . 1 1 159 159 GLN HG3 H 1 1.932 0.01 . 1 . . . . 159 GLN Hg3 . 25770 1 1489 . 1 1 159 159 GLN C C 13 180.120 0.08 . 1 . . . . 159 GLN C . 25770 1 1490 . 1 1 159 159 GLN CA C 13 57.429 0.08 . 1 . . . . 159 GLN Ca . 25770 1 1491 . 1 1 159 159 GLN CB C 13 30.590 0.08 . 1 . . . . 159 GLN Cb . 25770 1 1492 . 1 1 159 159 GLN CD C 13 181.156 0.08 . 1 . . . . 159 GLN Cd . 25770 1 1493 . 1 1 159 159 GLN CG C 13 34.136 0.08 . 1 . . . . 159 GLN Cg . 25770 1 1494 . 1 1 159 159 GLN N N 15 126.035 0.06 . 1 . . . . 159 GLN N . 25770 1 1495 . 1 1 159 159 GLN NE2 N 15 111.615 0.06 . 1 . . . . 159 GLN Ne2 . 25770 1 stop_ save_