data_19711 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19711 _Entry.Title ; Backbone and side chain 1H, 13C, and 15N chemical Shift assignments for native split Npu DnaE intein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-12-30 _Entry.Accession_date 2013-12-30 _Entry.Last_release_date 2014-06-06 _Entry.Original_release_date 2014-06-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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.Entry_ID 1 Yi-Zong Lee . . . 19711 2 Shih-Che Sue . . . 19711 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Bioinformatics and Structural Biology, National Tsing Hua Univ., Hsinchu city, Taiwan' . 19711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 536 19711 '15N chemical shifts' 136 19711 '1H chemical shifts' 865 19711 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 . . 2014-06-06 2013-12-30 original author . 19711 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16009 'One fragment Npu DnaE Intein' 19711 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19711 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 24751877 _Citation.Full_citation . _Citation.Title 'A streamlined method for preparing split intein for NMR study.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Expr. Purif.' _Citation.Journal_name_full 'Protein expression and purification' _Citation.Journal_volume 99 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 106 _Citation.Page_last 112 _Citation.Year 2014 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yi-Zong Lee . . . 19711 1 2 Yun-Tzai Lee . . . 19711 1 3 Yi-Jan Lin . . . 19711 1 4 Yen-Ju Chen . . . 19711 1 5 Shih-Che Sue . . . 19711 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19711 _Assembly.ID 1 _Assembly.Name 'native split Npu DnaE intein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _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 'native split Npu DnaE intein' 1 $Native_split_Npu_DnaE_intein A . yes native no no . . . 19711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Native_split_Npu_DnaE_intein _Entity.Sf_category entity _Entity.Sf_framecode Native_split_Npu_DnaE_intein _Entity.Entry_ID 19711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Native_split_Npu_DnaE_intein _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 ; CLSYETEILTVEYGLLPIGK IVEKRIECTVYSVDNNGNIY TQPVAQWHDRGEQEVFEYCL EDGSLIRATKDHKFMTVDGQ MLPIDEIFERELDLMRVDNL PNAAALEHHHHHHMGIKIAT RKYLGKQNVYDIGVERDHNF ALKNGFIASN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; N fragment with residue 1-102 and a C-terminal his tag C fragment with residue 103-137 ; _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 150 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 4LX3 . "Conserved Residues That Modulate Protein Trans-splicing Of Npu Dnae Split Intein" . . . . . 68.00 108 97.06 97.06 3.98e-65 . . . . 19711 1 2 no GB ACC83218 . "DNA polymerase III, alpha subunit [Nostoc punctiforme PCC 73102]" . . . . . 68.00 876 100.00 100.00 2.78e-63 . . . . 19711 1 3 no GB ADG44968 . "A-IntN [Expression vector pEBDuet23A]" . . . . . 68.00 483 100.00 100.00 3.42e-66 . . . . 19711 1 4 no GB ADG44969 . "H6-A-IntN [Expression vector pEBDuet28A]" . . . . . 68.00 500 100.00 100.00 6.97e-66 . . . . 19711 1 5 no GB AIS22787 . "UmuD-T7 RNA polymerase(1-514)-NpuN [synthetic vector pCOLA-AraC-pBAD-SspC-T7_RNAP(515-884)-UmuD-T7RNAP(1-514)-NpuN]" . . . . . 68.00 654 99.02 99.02 2.61e-63 . . . . 19711 1 6 no GB AIS22800 . "UmuD-T7 RNA polymerase(1-514)-NpuN [synthetic vector pCOLA-AraC-pBAD-UmuD-T7_RNAP(1-514)-NpuN]" . . . . . 68.00 654 99.02 99.02 2.61e-63 . . . . 19711 1 7 no REF WP_012411174 . "DNA polymerase III subunit alpha [Nostoc punctiforme]" . . . . . 68.00 876 100.00 100.00 2.78e-63 . . . . 19711 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 . CYS . 19711 1 2 . LEU . 19711 1 3 . SER . 19711 1 4 . TYR . 19711 1 5 . GLU . 19711 1 6 . THR . 19711 1 7 . GLU . 19711 1 8 . ILE . 19711 1 9 . LEU . 19711 1 10 . THR . 19711 1 11 . VAL . 19711 1 12 . GLU . 19711 1 13 . TYR . 19711 1 14 . GLY . 19711 1 15 . LEU . 19711 1 16 . LEU . 19711 1 17 . PRO . 19711 1 18 . ILE . 19711 1 19 . GLY . 19711 1 20 . LYS . 19711 1 21 . ILE . 19711 1 22 . VAL . 19711 1 23 . GLU . 19711 1 24 . LYS . 19711 1 25 . ARG . 19711 1 26 . ILE . 19711 1 27 . GLU . 19711 1 28 . CYS . 19711 1 29 . THR . 19711 1 30 . VAL . 19711 1 31 . TYR . 19711 1 32 . SER . 19711 1 33 . VAL . 19711 1 34 . ASP . 19711 1 35 . ASN . 19711 1 36 . ASN . 19711 1 37 . GLY . 19711 1 38 . ASN . 19711 1 39 . ILE . 19711 1 40 . TYR . 19711 1 41 . THR . 19711 1 42 . GLN . 19711 1 43 . PRO . 19711 1 44 . VAL . 19711 1 45 . ALA . 19711 1 46 . GLN . 19711 1 47 . TRP . 19711 1 48 . HIS . 19711 1 49 . ASP . 19711 1 50 . ARG . 19711 1 51 . GLY . 19711 1 52 . GLU . 19711 1 53 . GLN . 19711 1 54 . GLU . 19711 1 55 . VAL . 19711 1 56 . PHE . 19711 1 57 . GLU . 19711 1 58 . TYR . 19711 1 59 . CYS . 19711 1 60 . LEU . 19711 1 61 . GLU . 19711 1 62 . ASP . 19711 1 63 . GLY . 19711 1 64 . SER . 19711 1 65 . LEU . 19711 1 66 . ILE . 19711 1 67 . ARG . 19711 1 68 . ALA . 19711 1 69 . THR . 19711 1 70 . LYS . 19711 1 71 . ASP . 19711 1 72 . HIS . 19711 1 73 . LYS . 19711 1 74 . PHE . 19711 1 75 . MET . 19711 1 76 . THR . 19711 1 77 . VAL . 19711 1 78 . ASP . 19711 1 79 . GLY . 19711 1 80 . GLN . 19711 1 81 . MET . 19711 1 82 . LEU . 19711 1 83 . PRO . 19711 1 84 . ILE . 19711 1 85 . ASP . 19711 1 86 . GLU . 19711 1 87 . ILE . 19711 1 88 . PHE . 19711 1 89 . GLU . 19711 1 90 . ARG . 19711 1 91 . GLU . 19711 1 92 . LEU . 19711 1 93 . ASP . 19711 1 94 . LEU . 19711 1 95 . MET . 19711 1 96 . ARG . 19711 1 97 . VAL . 19711 1 98 . ASP . 19711 1 99 . ASN . 19711 1 100 . LEU . 19711 1 101 . PRO . 19711 1 102 . ASN . 19711 1 103 . ALA . 19711 1 104 . ALA . 19711 1 105 . ALA . 19711 1 106 . LEU . 19711 1 107 . GLU . 19711 1 108 . HIS . 19711 1 109 . HIS . 19711 1 110 . HIS . 19711 1 111 . HIS . 19711 1 112 . HIS . 19711 1 113 . HIS . 19711 1 114 . MET . 19711 1 115 . GLY . 19711 1 116 103 ILE . 19711 1 117 104 LYS . 19711 1 118 105 ILE . 19711 1 119 106 ALA . 19711 1 120 107 THR . 19711 1 121 108 ARG . 19711 1 122 109 LYS . 19711 1 123 110 TYR . 19711 1 124 111 LEU . 19711 1 125 112 GLY . 19711 1 126 113 LYS . 19711 1 127 114 GLN . 19711 1 128 115 ASN . 19711 1 129 116 VAL . 19711 1 130 117 TYR . 19711 1 131 118 ASP . 19711 1 132 119 ILE . 19711 1 133 120 GLY . 19711 1 134 121 VAL . 19711 1 135 122 GLU . 19711 1 136 123 ARG . 19711 1 137 124 ASP . 19711 1 138 125 HIS . 19711 1 139 126 ASN . 19711 1 140 127 PHE . 19711 1 141 128 ALA . 19711 1 142 129 LEU . 19711 1 143 130 LYS . 19711 1 144 131 ASN . 19711 1 145 132 GLY . 19711 1 146 133 PHE . 19711 1 147 134 ILE . 19711 1 148 135 ALA . 19711 1 149 136 SER . 19711 1 150 137 ASN . 19711 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 . CYS 1 1 19711 1 . LEU 2 2 19711 1 . SER 3 3 19711 1 . TYR 4 4 19711 1 . GLU 5 5 19711 1 . THR 6 6 19711 1 . GLU 7 7 19711 1 . ILE 8 8 19711 1 . LEU 9 9 19711 1 . THR 10 10 19711 1 . VAL 11 11 19711 1 . GLU 12 12 19711 1 . TYR 13 13 19711 1 . GLY 14 14 19711 1 . LEU 15 15 19711 1 . LEU 16 16 19711 1 . PRO 17 17 19711 1 . ILE 18 18 19711 1 . GLY 19 19 19711 1 . LYS 20 20 19711 1 . ILE 21 21 19711 1 . VAL 22 22 19711 1 . GLU 23 23 19711 1 . LYS 24 24 19711 1 . ARG 25 25 19711 1 . ILE 26 26 19711 1 . GLU 27 27 19711 1 . CYS 28 28 19711 1 . THR 29 29 19711 1 . VAL 30 30 19711 1 . TYR 31 31 19711 1 . SER 32 32 19711 1 . VAL 33 33 19711 1 . ASP 34 34 19711 1 . ASN 35 35 19711 1 . ASN 36 36 19711 1 . GLY 37 37 19711 1 . ASN 38 38 19711 1 . ILE 39 39 19711 1 . TYR 40 40 19711 1 . THR 41 41 19711 1 . GLN 42 42 19711 1 . PRO 43 43 19711 1 . VAL 44 44 19711 1 . ALA 45 45 19711 1 . GLN 46 46 19711 1 . TRP 47 47 19711 1 . HIS 48 48 19711 1 . ASP 49 49 19711 1 . ARG 50 50 19711 1 . GLY 51 51 19711 1 . GLU 52 52 19711 1 . GLN 53 53 19711 1 . GLU 54 54 19711 1 . VAL 55 55 19711 1 . PHE 56 56 19711 1 . GLU 57 57 19711 1 . TYR 58 58 19711 1 . CYS 59 59 19711 1 . LEU 60 60 19711 1 . GLU 61 61 19711 1 . ASP 62 62 19711 1 . GLY 63 63 19711 1 . SER 64 64 19711 1 . LEU 65 65 19711 1 . ILE 66 66 19711 1 . ARG 67 67 19711 1 . ALA 68 68 19711 1 . THR 69 69 19711 1 . LYS 70 70 19711 1 . ASP 71 71 19711 1 . HIS 72 72 19711 1 . LYS 73 73 19711 1 . PHE 74 74 19711 1 . MET 75 75 19711 1 . THR 76 76 19711 1 . VAL 77 77 19711 1 . ASP 78 78 19711 1 . GLY 79 79 19711 1 . GLN 80 80 19711 1 . MET 81 81 19711 1 . LEU 82 82 19711 1 . PRO 83 83 19711 1 . ILE 84 84 19711 1 . ASP 85 85 19711 1 . GLU 86 86 19711 1 . ILE 87 87 19711 1 . PHE 88 88 19711 1 . GLU 89 89 19711 1 . ARG 90 90 19711 1 . GLU 91 91 19711 1 . LEU 92 92 19711 1 . ASP 93 93 19711 1 . LEU 94 94 19711 1 . MET 95 95 19711 1 . ARG 96 96 19711 1 . VAL 97 97 19711 1 . ASP 98 98 19711 1 . ASN 99 99 19711 1 . LEU 100 100 19711 1 . PRO 101 101 19711 1 . ASN 102 102 19711 1 . ALA 103 103 19711 1 . ALA 104 104 19711 1 . ALA 105 105 19711 1 . LEU 106 106 19711 1 . GLU 107 107 19711 1 . HIS 108 108 19711 1 . HIS 109 109 19711 1 . HIS 110 110 19711 1 . HIS 111 111 19711 1 . HIS 112 112 19711 1 . HIS 113 113 19711 1 . MET 114 114 19711 1 . GLY 115 115 19711 1 . ILE 116 116 19711 1 . LYS 117 117 19711 1 . ILE 118 118 19711 1 . ALA 119 119 19711 1 . THR 120 120 19711 1 . ARG 121 121 19711 1 . LYS 122 122 19711 1 . TYR 123 123 19711 1 . LEU 124 124 19711 1 . GLY 125 125 19711 1 . LYS 126 126 19711 1 . GLN 127 127 19711 1 . ASN 128 128 19711 1 . VAL 129 129 19711 1 . TYR 130 130 19711 1 . ASP 131 131 19711 1 . ILE 132 132 19711 1 . GLY 133 133 19711 1 . VAL 134 134 19711 1 . GLU 135 135 19711 1 . ARG 136 136 19711 1 . ASP 137 137 19711 1 . HIS 138 138 19711 1 . ASN 139 139 19711 1 . PHE 140 140 19711 1 . ALA 141 141 19711 1 . LEU 142 142 19711 1 . LYS 143 143 19711 1 . ASN 144 144 19711 1 . GLY 145 145 19711 1 . PHE 146 146 19711 1 . ILE 147 147 19711 1 . ALA 148 148 19711 1 . SER 149 149 19711 1 . ASN 150 150 19711 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 19711 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Native_split_Npu_DnaE_intein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 19711 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 19711 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Native_split_Npu_DnaE_intein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . PET-28A(+) . . . . . . 19711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_NATIVE_split_Npu_DnaE_intein _Sample.Sf_category sample _Sample.Sf_framecode sample_NATIVE_split_Npu_DnaE_intein _Sample.Entry_ID 19711 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 3 _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 'Native split Npu DnaE intein' '[U-100% 13C; U-100% 15N]' . . 1 $Native_split_Npu_DnaE_intein . . 1 . . mM . . . . 19711 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 19711 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 19711 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19711 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . pH 19711 1 pressure 1 . atm 19711 1 temperature 298 . K 19711 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19711 _Software.ID 1 _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' . . 19711 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19711 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19711 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19711 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19711 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19711 _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 . . 19711 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19711 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19711 _Software.ID 4 _Software.Name NMRDraw _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' . . 19711 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19711 4 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 19711 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19711 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 19711 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 19711 _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 . 600 . . . 19711 1 2 spectrometer_2 Bruker Avance . 800 . . . 19711 1 3 spectrometer_3 Bruker Avance . 500 . . . 19711 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 19711 _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_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 7 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 8 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 10 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 13 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 14 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_NATIVE_split_Npu_DnaE_intein isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19711 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_DSS _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode DSS _Chem_shift_reference.Entry_ID 19711 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19711 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19711 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19711 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 19711 _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 $DSS _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19711 1 2 '3D HNCO' . . . 19711 1 3 '3D HNCA' . . . 19711 1 4 '3D HNCACB' . . . 19711 1 5 '3D HBHA(CO)NH' . . . 19711 1 6 '3D HN(CO)CA' . . . 19711 1 7 '3D HN(COCA)CB' . . . 19711 1 8 '3D H(CCO)NH' . . . 19711 1 9 '3D HCCH-TOCSY' . . . 19711 1 10 '3D HCCH-COSY' . . . 19711 1 11 '3D 1H-13C NOESY aliphatic' . . . 19711 1 13 '3D 1H-13C NOESY aromatic' . . . 19711 1 14 '2D 1H-13C HSQC aromatic' . . . 19711 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 CYS HA H 1 4.648 0.021 . 1 5 . 1 1 1 CYS HA . 19711 1 2 . 1 1 1 1 CYS HB2 H 1 2.387 0.014 . 2 9 . 1 1 1 CYS HB2 . 19711 1 3 . 1 1 1 1 CYS HB3 H 1 3.16 0.019 . 2 8 . 1 1 1 CYS HB3 . 19711 1 4 . 1 1 1 1 CYS C C 13 171.861 0 . 1 1 . 1 1 1 CYS C . 19711 1 5 . 1 1 1 1 CYS CA C 13 56.57 0.13 . 1 4 . 1 1 1 CYS CA . 19711 1 6 . 1 1 1 1 CYS CB C 13 29.947 0.199 . 1 8 . 1 1 1 CYS CB . 19711 1 7 . 1 1 2 2 LEU H H 1 9.492 0.009 . 1 22 . 1 2 2 LEU H . 19711 1 8 . 1 1 2 2 LEU HA H 1 5.203 0.016 . 1 5 . 1 2 2 LEU HA . 19711 1 9 . 1 1 2 2 LEU HB2 H 1 1.938 0.027 . 2 4 . 1 2 2 LEU HB2 . 19711 1 10 . 1 1 2 2 LEU HB3 H 1 1.888 0.014 . 2 3 . 1 2 2 LEU HB3 . 19711 1 11 . 1 1 2 2 LEU HG H 1 1.303 0.031 . 1 4 . 1 2 2 LEU HG . 19711 1 12 . 1 1 2 2 LEU HD11 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD1 . 19711 1 13 . 1 1 2 2 LEU HD12 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD1 . 19711 1 14 . 1 1 2 2 LEU HD13 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD1 . 19711 1 15 . 1 1 2 2 LEU HD21 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD2 . 19711 1 16 . 1 1 2 2 LEU HD22 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD2 . 19711 1 17 . 1 1 2 2 LEU HD23 H 1 0.851 0 . 2 1 . 1 2 2 LEU MD2 . 19711 1 18 . 1 1 2 2 LEU C C 13 176.37 0 . 1 1 . 1 2 2 LEU C . 19711 1 19 . 1 1 2 2 LEU CA C 13 54.196 0.031 . 1 5 . 1 2 2 LEU CA . 19711 1 20 . 1 1 2 2 LEU CB C 13 45.242 0.1 . 1 5 . 1 2 2 LEU CB . 19711 1 21 . 1 1 2 2 LEU CG C 13 25.408 0.012 . 1 2 . 1 2 2 LEU CG . 19711 1 22 . 1 1 2 2 LEU CD1 C 13 22.68 0 . 2 1 . 1 2 2 LEU CD1 . 19711 1 23 . 1 1 2 2 LEU CD2 C 13 22.68 0 . 2 1 . 1 2 2 LEU CD2 . 19711 1 24 . 1 1 2 2 LEU N N 15 122.151 0.048 . 1 20 . 1 2 2 LEU N . 19711 1 25 . 1 1 3 3 SER H H 1 7.736 0.006 . 1 22 . 1 3 3 SER H . 19711 1 26 . 1 1 3 3 SER HA H 1 4.641 0.017 . 1 8 . 1 3 3 SER HA . 19711 1 27 . 1 1 3 3 SER HB2 H 1 3.77 0.008 . 2 11 . 1 3 3 SER HB2 . 19711 1 28 . 1 1 3 3 SER HB3 H 1 4.299 0.015 . 2 9 . 1 3 3 SER HB3 . 19711 1 29 . 1 1 3 3 SER C C 13 174.553 0 . 1 1 . 1 3 3 SER C . 19711 1 30 . 1 1 3 3 SER CA C 13 59.442 0.102 . 1 6 . 1 3 3 SER CA . 19711 1 31 . 1 1 3 3 SER CB C 13 63.887 0.079 . 1 9 . 1 3 3 SER CB . 19711 1 32 . 1 1 3 3 SER N N 15 114.276 0.069 . 1 22 . 1 3 3 SER N . 19711 1 33 . 1 1 4 4 TYR H H 1 9.279 0.006 . 1 23 . 1 4 4 TYR H . 19711 1 34 . 1 1 4 4 TYR HA H 1 3.454 0.009 . 1 6 . 1 4 4 TYR HA . 19711 1 35 . 1 1 4 4 TYR HB2 H 1 3.433 0.031 . 2 10 . 1 4 4 TYR HB2 . 19711 1 36 . 1 1 4 4 TYR HB3 H 1 3.243 0.02 . 2 7 . 1 4 4 TYR HB3 . 19711 1 37 . 1 1 4 4 TYR HD1 H 1 7.098 0.013 . 3 4 . 1 4 4 TYR HD1 . 19711 1 38 . 1 1 4 4 TYR HE1 H 1 6.59 0.004 . 3 3 . 1 4 4 TYR HE1 . 19711 1 39 . 1 1 4 4 TYR C C 13 175.889 0 . 1 1 . 1 4 4 TYR C . 19711 1 40 . 1 1 4 4 TYR CA C 13 62.517 0.09 . 1 6 . 1 4 4 TYR CA . 19711 1 41 . 1 1 4 4 TYR CB C 13 40.606 0.042 . 1 7 . 1 4 4 TYR CB . 19711 1 42 . 1 1 4 4 TYR N N 15 120.939 0.035 . 1 22 . 1 4 4 TYR N . 19711 1 43 . 1 1 5 5 GLU H H 1 9.29 0.005 . 1 19 . 1 5 5 GLU H . 19711 1 44 . 1 1 5 5 GLU HA H 1 4.419 0.012 . 1 8 . 1 5 5 GLU HA . 19711 1 45 . 1 1 5 5 GLU HB2 H 1 2.304 0 . 2 1 . 1 5 5 GLU HB2 . 19711 1 46 . 1 1 5 5 GLU HB3 H 1 2.339 0.022 . 2 4 . 1 5 5 GLU HB3 . 19711 1 47 . 1 1 5 5 GLU HG2 H 1 2.469 0 . 2 1 . 1 5 5 GLU HG2 . 19711 1 48 . 1 1 5 5 GLU HG3 H 1 2.411 0.009 . 2 2 . 1 5 5 GLU HG3 . 19711 1 49 . 1 1 5 5 GLU C C 13 176.256 0 . 1 1 . 1 5 5 GLU C . 19711 1 50 . 1 1 5 5 GLU CA C 13 56.941 0.066 . 1 8 . 1 5 5 GLU CA . 19711 1 51 . 1 1 5 5 GLU CB C 13 28.632 0.023 . 1 3 . 1 5 5 GLU CB . 19711 1 52 . 1 1 5 5 GLU CG C 13 35.863 0 . 1 1 . 1 5 5 GLU CG . 19711 1 53 . 1 1 5 5 GLU N N 15 111.92 0.041 . 1 17 . 1 5 5 GLU N . 19711 1 54 . 1 1 6 6 THR H H 1 7.977 0.006 . 1 22 . 1 6 6 THR H . 19711 1 55 . 1 1 6 6 THR HA H 1 4.056 0.006 . 1 8 . 1 6 6 THR HA . 19711 1 56 . 1 1 6 6 THR HB H 1 4.41 0.008 . 1 9 . 1 6 6 THR HB . 19711 1 57 . 1 1 6 6 THR HG21 H 1 1.507 0.011 . 1 5 . 1 6 6 THR MG . 19711 1 58 . 1 1 6 6 THR HG22 H 1 1.507 0.011 . 1 5 . 1 6 6 THR MG . 19711 1 59 . 1 1 6 6 THR HG23 H 1 1.507 0.011 . 1 5 . 1 6 6 THR MG . 19711 1 60 . 1 1 6 6 THR C C 13 173.91 0 . 1 1 . 1 6 6 THR C . 19711 1 61 . 1 1 6 6 THR CA C 13 65.219 0.12 . 1 8 . 1 6 6 THR CA . 19711 1 62 . 1 1 6 6 THR CB C 13 68.658 0.072 . 1 7 . 1 6 6 THR CB . 19711 1 63 . 1 1 6 6 THR CG2 C 13 22.415 0.025 . 1 3 . 1 6 6 THR CG2 . 19711 1 64 . 1 1 6 6 THR N N 15 120.442 0.034 . 1 21 . 1 6 6 THR N . 19711 1 65 . 1 1 7 7 GLU H H 1 9.194 0.006 . 1 13 . 1 7 7 GLU H . 19711 1 66 . 1 1 7 7 GLU HA H 1 4.502 0.014 . 1 6 . 1 7 7 GLU HA . 19711 1 67 . 1 1 7 7 GLU HB2 H 1 1.817 0.011 . 2 6 . 1 7 7 GLU HB2 . 19711 1 68 . 1 1 7 7 GLU HB3 H 1 2.165 0.016 . 2 3 . 1 7 7 GLU HB3 . 19711 1 69 . 1 1 7 7 GLU HG2 H 1 2.715 0.011 . 2 6 . 1 7 7 GLU HG2 . 19711 1 70 . 1 1 7 7 GLU HG3 H 1 2.433 0.003 . 2 3 . 1 7 7 GLU HG3 . 19711 1 71 . 1 1 7 7 GLU C C 13 174.687 0 . 1 1 . 1 7 7 GLU C . 19711 1 72 . 1 1 7 7 GLU CA C 13 56.904 0.093 . 1 7 . 1 7 7 GLU CA . 19711 1 73 . 1 1 7 7 GLU CB C 13 31.77 0.025 . 1 6 . 1 7 7 GLU CB . 19711 1 74 . 1 1 7 7 GLU CG C 13 37.397 0.071 . 1 4 . 1 7 7 GLU CG . 19711 1 75 . 1 1 7 7 GLU N N 15 129.858 0.056 . 1 13 . 1 7 7 GLU N . 19711 1 76 . 1 1 8 8 ILE H H 1 8.967 0.006 . 1 14 . 1 8 8 ILE H . 19711 1 77 . 1 1 8 8 ILE HA H 1 4.364 0.015 . 1 9 . 1 8 8 ILE HA . 19711 1 78 . 1 1 8 8 ILE HB H 1 1.867 0.011 . 1 9 . 1 8 8 ILE HB . 19711 1 79 . 1 1 8 8 ILE HG12 H 1 1.299 0.004 . 2 6 . 1 8 8 ILE HG12 . 19711 1 80 . 1 1 8 8 ILE HG13 H 1 1.454 0.012 . 2 4 . 1 8 8 ILE HG13 . 19711 1 81 . 1 1 8 8 ILE HG21 H 1 0.878 0.003 . 1 4 . 1 8 8 ILE MG . 19711 1 82 . 1 1 8 8 ILE HG22 H 1 0.878 0.003 . 1 4 . 1 8 8 ILE MG . 19711 1 83 . 1 1 8 8 ILE HG23 H 1 0.878 0.003 . 1 4 . 1 8 8 ILE MG . 19711 1 84 . 1 1 8 8 ILE HD11 H 1 0.64 0.001 . 1 3 . 1 8 8 ILE MD . 19711 1 85 . 1 1 8 8 ILE HD12 H 1 0.64 0.001 . 1 3 . 1 8 8 ILE MD . 19711 1 86 . 1 1 8 8 ILE HD13 H 1 0.64 0.001 . 1 3 . 1 8 8 ILE MD . 19711 1 87 . 1 1 8 8 ILE C C 13 175.761 0 . 1 1 . 1 8 8 ILE C . 19711 1 88 . 1 1 8 8 ILE CA C 13 59.109 0.074 . 1 6 . 1 8 8 ILE CA . 19711 1 89 . 1 1 8 8 ILE CB C 13 39.533 0.078 . 1 7 . 1 8 8 ILE CB . 19711 1 90 . 1 1 8 8 ILE CG1 C 13 27.663 0.036 . 1 5 . 1 8 8 ILE CG1 . 19711 1 91 . 1 1 8 8 ILE CG2 C 13 17.821 0.015 . 1 3 . 1 8 8 ILE CG2 . 19711 1 92 . 1 1 8 8 ILE CD1 C 13 12.718 0.054 . 1 3 . 1 8 8 ILE CD1 . 19711 1 93 . 1 1 8 8 ILE N N 15 124.43 0.125 . 1 13 . 1 8 8 ILE N . 19711 1 94 . 1 1 9 9 LEU H H 1 7.269 0.008 . 1 13 . 1 9 9 LEU H . 19711 1 95 . 1 1 9 9 LEU HA H 1 4.324 0.011 . 1 8 . 1 9 9 LEU HA . 19711 1 96 . 1 1 9 9 LEU HB2 H 1 1.254 0.013 . 2 8 . 1 9 9 LEU HB2 . 19711 1 97 . 1 1 9 9 LEU HB3 H 1 1.86 0.013 . 2 3 . 1 9 9 LEU HB3 . 19711 1 98 . 1 1 9 9 LEU HG H 1 1.515 0.013 . 1 5 . 1 9 9 LEU HG . 19711 1 99 . 1 1 9 9 LEU HD11 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD1 . 19711 1 100 . 1 1 9 9 LEU HD12 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD1 . 19711 1 101 . 1 1 9 9 LEU HD13 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD1 . 19711 1 102 . 1 1 9 9 LEU HD21 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD2 . 19711 1 103 . 1 1 9 9 LEU HD22 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD2 . 19711 1 104 . 1 1 9 9 LEU HD23 H 1 0.83 0.015 . 2 8 . 1 9 9 LEU MD2 . 19711 1 105 . 1 1 9 9 LEU C C 13 175.076 0 . 1 1 . 1 9 9 LEU C . 19711 1 106 . 1 1 9 9 LEU CA C 13 56.101 0.043 . 1 7 . 1 9 9 LEU CA . 19711 1 107 . 1 1 9 9 LEU CB C 13 42.356 0.102 . 1 7 . 1 9 9 LEU CB . 19711 1 108 . 1 1 9 9 LEU CG C 13 26.655 0 . 1 1 . 1 9 9 LEU CG . 19711 1 109 . 1 1 9 9 LEU CD1 C 13 23.532 0.089 . 2 3 . 1 9 9 LEU CD1 . 19711 1 110 . 1 1 9 9 LEU CD2 C 13 23.416 0.005 . 2 2 . 1 9 9 LEU CD2 . 19711 1 111 . 1 1 9 9 LEU N N 15 125.517 0.089 . 1 13 . 1 9 9 LEU N . 19711 1 112 . 1 1 10 10 THR H H 1 7.728 0.006 . 1 23 . 1 10 10 THR H . 19711 1 113 . 1 1 10 10 THR HA H 1 5.874 0.011 . 1 8 . 1 10 10 THR HA . 19711 1 114 . 1 1 10 10 THR HB H 1 4.46 0.008 . 1 8 . 1 10 10 THR HB . 19711 1 115 . 1 1 10 10 THR HG21 H 1 1.306 0.013 . 1 8 . 1 10 10 THR MG . 19711 1 116 . 1 1 10 10 THR HG22 H 1 1.306 0.013 . 1 8 . 1 10 10 THR MG . 19711 1 117 . 1 1 10 10 THR HG23 H 1 1.306 0.013 . 1 8 . 1 10 10 THR MG . 19711 1 118 . 1 1 10 10 THR C C 13 176.277 0 . 1 1 . 1 10 10 THR C . 19711 1 119 . 1 1 10 10 THR CA C 13 59.261 0.057 . 1 6 . 1 10 10 THR CA . 19711 1 120 . 1 1 10 10 THR CB C 13 73.273 0.051 . 1 6 . 1 10 10 THR CB . 19711 1 121 . 1 1 10 10 THR CG2 C 13 22.374 0.035 . 1 4 . 1 10 10 THR CG2 . 19711 1 122 . 1 1 10 10 THR N N 15 116.925 0.063 . 1 22 . 1 10 10 THR N . 19711 1 123 . 1 1 11 11 VAL H H 1 8.959 0.01 . 1 15 . 1 11 11 VAL H . 19711 1 124 . 1 1 11 11 VAL HA H 1 3.7 0.011 . 1 11 . 1 11 11 VAL HA . 19711 1 125 . 1 1 11 11 VAL HB H 1 1.685 0.01 . 1 10 . 1 11 11 VAL HB . 19711 1 126 . 1 1 11 11 VAL HG11 H 1 0.822 0.015 . 2 10 . 1 11 11 VAL MG1 . 19711 1 127 . 1 1 11 11 VAL HG12 H 1 0.822 0.015 . 2 10 . 1 11 11 VAL MG1 . 19711 1 128 . 1 1 11 11 VAL HG13 H 1 0.822 0.015 . 2 10 . 1 11 11 VAL MG1 . 19711 1 129 . 1 1 11 11 VAL HG21 H 1 0.593 0.012 . 2 10 . 1 11 11 VAL MG2 . 19711 1 130 . 1 1 11 11 VAL HG22 H 1 0.593 0.012 . 2 10 . 1 11 11 VAL MG2 . 19711 1 131 . 1 1 11 11 VAL HG23 H 1 0.593 0.012 . 2 10 . 1 11 11 VAL MG2 . 19711 1 132 . 1 1 11 11 VAL C C 13 179.038 0 . 1 1 . 1 11 11 VAL C . 19711 1 133 . 1 1 11 11 VAL CA C 13 65.711 0.095 . 1 7 . 1 11 11 VAL CA . 19711 1 134 . 1 1 11 11 VAL CB C 13 33.258 0.081 . 1 7 . 1 11 11 VAL CB . 19711 1 135 . 1 1 11 11 VAL CG1 C 13 21.877 0.154 . 2 5 . 1 11 11 VAL CG1 . 19711 1 136 . 1 1 11 11 VAL CG2 C 13 21.001 0.248 . 2 5 . 1 11 11 VAL CG2 . 19711 1 137 . 1 1 11 11 VAL N N 15 125.291 0.079 . 1 12 . 1 11 11 VAL N . 19711 1 138 . 1 1 12 12 GLU H H 1 9.991 0.006 . 1 29 . 1 12 12 GLU H . 19711 1 139 . 1 1 12 12 GLU HA H 1 3.716 0.009 . 1 9 . 1 12 12 GLU HA . 19711 1 140 . 1 1 12 12 GLU HB2 H 1 0.981 0.015 . 2 5 . 1 12 12 GLU HB2 . 19711 1 141 . 1 1 12 12 GLU HB3 H 1 1.298 0.013 . 2 9 . 1 12 12 GLU HB3 . 19711 1 142 . 1 1 12 12 GLU HG2 H 1 2.022 0.008 . 2 7 . 1 12 12 GLU HG2 . 19711 1 143 . 1 1 12 12 GLU HG3 H 1 2.45 0.02 . 2 10 . 1 12 12 GLU HG3 . 19711 1 144 . 1 1 12 12 GLU C C 13 178.506 0 . 1 1 . 1 12 12 GLU C . 19711 1 145 . 1 1 12 12 GLU CA C 13 60.392 0.102 . 1 8 . 1 12 12 GLU CA . 19711 1 146 . 1 1 12 12 GLU CB C 13 28.023 0.084 . 1 8 . 1 12 12 GLU CB . 19711 1 147 . 1 1 12 12 GLU CG C 13 36.382 0.139 . 1 6 . 1 12 12 GLU CG . 19711 1 148 . 1 1 12 12 GLU N N 15 116.18 0.047 . 1 27 . 1 12 12 GLU N . 19711 1 149 . 1 1 13 13 TYR H H 1 7.441 0.005 . 1 24 . 1 13 13 TYR H . 19711 1 150 . 1 1 13 13 TYR HA H 1 4.926 0.016 . 1 7 . 1 13 13 TYR HA . 19711 1 151 . 1 1 13 13 TYR HB2 H 1 2.666 0.015 . 2 7 . 1 13 13 TYR HB2 . 19711 1 152 . 1 1 13 13 TYR HB3 H 1 3.306 0.014 . 2 9 . 1 13 13 TYR HB3 . 19711 1 153 . 1 1 13 13 TYR HD1 H 1 7.072 0.003 . 3 2 . 1 13 13 TYR HD1 . 19711 1 154 . 1 1 13 13 TYR HE1 H 1 6.811 0 . 3 1 . 1 13 13 TYR HE1 . 19711 1 155 . 1 1 13 13 TYR C C 13 175.98 0 . 1 1 . 1 13 13 TYR C . 19711 1 156 . 1 1 13 13 TYR CA C 13 56.065 0.047 . 1 6 . 1 13 13 TYR CA . 19711 1 157 . 1 1 13 13 TYR CB C 13 40.323 0.124 . 1 9 . 1 13 13 TYR CB . 19711 1 158 . 1 1 13 13 TYR N N 15 111.716 0.078 . 1 24 . 1 13 13 TYR N . 19711 1 159 . 1 1 14 14 GLY H H 1 7.277 0.006 . 1 18 . 1 14 14 GLY H . 19711 1 160 . 1 1 14 14 GLY HA2 H 1 3.889 0.014 . 2 7 . 1 14 14 GLY HA2 . 19711 1 161 . 1 1 14 14 GLY HA3 H 1 4.295 0.013 . 2 4 . 1 14 14 GLY HA3 . 19711 1 162 . 1 1 14 14 GLY C C 13 176.292 0 . 1 1 . 1 14 14 GLY C . 19711 1 163 . 1 1 14 14 GLY CA C 13 45.156 0.052 . 1 8 . 1 14 14 GLY CA . 19711 1 164 . 1 1 14 14 GLY N N 15 109.189 0.032 . 1 18 . 1 14 14 GLY N . 19711 1 165 . 1 1 15 15 LEU H H 1 8.94 0.01 . 1 10 . 1 15 15 LEU H . 19711 1 166 . 1 1 15 15 LEU HA H 1 4.808 0.022 . 1 4 . 1 15 15 LEU HA . 19711 1 167 . 1 1 15 15 LEU HB2 H 1 1.329 0.008 . 2 2 . 1 15 15 LEU HB2 . 19711 1 168 . 1 1 15 15 LEU HB3 H 1 1.898 0.031 . 2 4 . 1 15 15 LEU HB3 . 19711 1 169 . 1 1 15 15 LEU HG H 1 1.022 0 . 1 1 . 1 15 15 LEU HG . 19711 1 170 . 1 1 15 15 LEU HD11 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD1 . 19711 1 171 . 1 1 15 15 LEU HD12 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD1 . 19711 1 172 . 1 1 15 15 LEU HD13 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD1 . 19711 1 173 . 1 1 15 15 LEU HD21 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD2 . 19711 1 174 . 1 1 15 15 LEU HD22 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD2 . 19711 1 175 . 1 1 15 15 LEU HD23 H 1 0.775 0 . 2 1 . 1 15 15 LEU MD2 . 19711 1 176 . 1 1 15 15 LEU C C 13 177.439 0 . 1 1 . 1 15 15 LEU C . 19711 1 177 . 1 1 15 15 LEU CA C 13 55.611 0.069 . 1 5 . 1 15 15 LEU CA . 19711 1 178 . 1 1 15 15 LEU CB C 13 42.435 0.089 . 1 5 . 1 15 15 LEU CB . 19711 1 179 . 1 1 15 15 LEU CG C 13 25.763 0 . 1 1 . 1 15 15 LEU CG . 19711 1 180 . 1 1 15 15 LEU CD1 C 13 23.286 0 . 2 1 . 1 15 15 LEU CD1 . 19711 1 181 . 1 1 15 15 LEU CD2 C 13 23.286 0 . 2 1 . 1 15 15 LEU CD2 . 19711 1 182 . 1 1 15 15 LEU N N 15 127.185 0.028 . 1 9 . 1 15 15 LEU N . 19711 1 183 . 1 1 16 16 LEU H H 1 8.831 0.023 . 1 15 . 1 16 16 LEU H . 19711 1 184 . 1 1 16 16 LEU HA H 1 5.104 0.005 . 1 6 . 1 16 16 LEU HA . 19711 1 185 . 1 1 16 16 LEU HB2 H 1 1.635 0 . 2 4 . 1 16 16 LEU HB2 . 19711 1 186 . 1 1 16 16 LEU HB3 H 1 1.234 0.004 . 2 2 . 1 16 16 LEU HB3 . 19711 1 187 . 1 1 16 16 LEU HG H 1 1.438 0 . 1 1 . 1 16 16 LEU HG . 19711 1 188 . 1 1 16 16 LEU HD11 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD1 . 19711 1 189 . 1 1 16 16 LEU HD12 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD1 . 19711 1 190 . 1 1 16 16 LEU HD13 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD1 . 19711 1 191 . 1 1 16 16 LEU HD21 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD2 . 19711 1 192 . 1 1 16 16 LEU HD22 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD2 . 19711 1 193 . 1 1 16 16 LEU HD23 H 1 0.932 0.001 . 2 3 . 1 16 16 LEU MD2 . 19711 1 194 . 1 1 16 16 LEU CA C 13 51.507 0.011 . 1 4 . 1 16 16 LEU CA . 19711 1 195 . 1 1 16 16 LEU CB C 13 47.219 0.046 . 1 4 . 1 16 16 LEU CB . 19711 1 196 . 1 1 16 16 LEU CD1 C 13 23.195 0.018 . 2 2 . 1 16 16 LEU CD1 . 19711 1 197 . 1 1 16 16 LEU N N 15 124.313 0.033 . 1 14 . 1 16 16 LEU N . 19711 1 198 . 1 1 17 17 PRO HA H 1 4.167 0.011 . 1 3 . 1 17 17 PRO HA . 19711 1 199 . 1 1 17 17 PRO HB2 H 1 1.947 0.031 . 2 3 . 1 17 17 PRO HB2 . 19711 1 200 . 1 1 17 17 PRO HB3 H 1 2.477 0.018 . 2 8 . 1 17 17 PRO HB3 . 19711 1 201 . 1 1 17 17 PRO C C 13 178.585 0 . 1 1 . 1 17 17 PRO C . 19711 1 202 . 1 1 17 17 PRO CA C 13 62.102 0 . 1 3 . 1 17 17 PRO CA . 19711 1 203 . 1 1 17 17 PRO CB C 13 32.464 0.089 . 1 3 . 1 17 17 PRO CB . 19711 1 204 . 1 1 17 17 PRO CG C 13 27.982 0 . 1 1 . 1 17 17 PRO CG . 19711 1 205 . 1 1 17 17 PRO CD C 13 50.949 0 . 1 1 . 1 17 17 PRO CD . 19711 1 206 . 1 1 18 18 ILE H H 1 9.545 0.01 . 1 15 . 1 18 18 ILE H . 19711 1 207 . 1 1 18 18 ILE HA H 1 3.696 0.009 . 1 8 . 1 18 18 ILE HA . 19711 1 208 . 1 1 18 18 ILE HB H 1 1.778 0.015 . 1 9 . 1 18 18 ILE HB . 19711 1 209 . 1 1 18 18 ILE HG12 H 1 1.277 0.012 . 2 4 . 1 18 18 ILE HG12 . 19711 1 210 . 1 1 18 18 ILE HG13 H 1 1.028 0.014 . 2 2 . 1 18 18 ILE HG13 . 19711 1 211 . 1 1 18 18 ILE HG21 H 1 1.001 0.012 . 1 9 . 1 18 18 ILE MG . 19711 1 212 . 1 1 18 18 ILE HG22 H 1 1.001 0.012 . 1 9 . 1 18 18 ILE MG . 19711 1 213 . 1 1 18 18 ILE HG23 H 1 1.001 0.012 . 1 9 . 1 18 18 ILE MG . 19711 1 214 . 1 1 18 18 ILE HD11 H 1 0.927 0.002 . 1 5 . 1 18 18 ILE MD . 19711 1 215 . 1 1 18 18 ILE HD12 H 1 0.927 0.002 . 1 5 . 1 18 18 ILE MD . 19711 1 216 . 1 1 18 18 ILE HD13 H 1 0.927 0.002 . 1 5 . 1 18 18 ILE MD . 19711 1 217 . 1 1 18 18 ILE C C 13 175.467 0 . 1 1 . 1 18 18 ILE C . 19711 1 218 . 1 1 18 18 ILE CA C 13 64.913 0.075 . 1 6 . 1 18 18 ILE CA . 19711 1 219 . 1 1 18 18 ILE CB C 13 37.424 0.03 . 1 8 . 1 18 18 ILE CB . 19711 1 220 . 1 1 18 18 ILE CG1 C 13 29.422 0 . 1 1 . 1 18 18 ILE CG1 . 19711 1 221 . 1 1 18 18 ILE CG2 C 13 17.982 0 . 1 3 . 1 18 18 ILE CG2 . 19711 1 222 . 1 1 18 18 ILE CD1 C 13 15.048 0.124 . 1 3 . 1 18 18 ILE CD1 . 19711 1 223 . 1 1 18 18 ILE N N 15 127.466 0.113 . 1 12 . 1 18 18 ILE N . 19711 1 224 . 1 1 19 19 GLY H H 1 8.713 0.007 . 1 31 . 1 19 19 GLY H . 19711 1 225 . 1 1 19 19 GLY HA2 H 1 1.425 0.023 . 2 3 . 1 19 19 GLY HA2 . 19711 1 226 . 1 1 19 19 GLY HA3 H 1 1.652 0.007 . 2 5 . 1 19 19 GLY HA3 . 19711 1 227 . 1 1 19 19 GLY C C 13 174.807 0 . 1 1 . 1 19 19 GLY C . 19711 1 228 . 1 1 19 19 GLY CA C 13 45.048 0.031 . 1 7 . 1 19 19 GLY CA . 19711 1 229 . 1 1 19 19 GLY N N 15 109.363 0.059 . 1 27 . 1 19 19 GLY N . 19711 1 230 . 1 1 20 20 LYS H H 1 6.17 0.005 . 1 24 . 1 20 20 LYS H . 19711 1 231 . 1 1 20 20 LYS HA H 1 4.049 0.008 . 1 6 . 1 20 20 LYS HA . 19711 1 232 . 1 1 20 20 LYS HB2 H 1 1.739 0.032 . 2 6 . 1 20 20 LYS HB2 . 19711 1 233 . 1 1 20 20 LYS HB3 H 1 1.771 0.032 . 2 5 . 1 20 20 LYS HB3 . 19711 1 234 . 1 1 20 20 LYS HG2 H 1 1.418 0 . 2 1 . 1 20 20 LYS HG2 . 19711 1 235 . 1 1 20 20 LYS HG3 H 1 1.338 0.014 . 2 2 . 1 20 20 LYS HG3 . 19711 1 236 . 1 1 20 20 LYS HD2 H 1 1.647 0 . 2 1 . 1 20 20 LYS HD2 . 19711 1 237 . 1 1 20 20 LYS HD3 H 1 1.896 0 . 2 1 . 1 20 20 LYS HD3 . 19711 1 238 . 1 1 20 20 LYS HE2 H 1 2.923 0 . 2 1 . 1 20 20 LYS HE2 . 19711 1 239 . 1 1 20 20 LYS HE3 H 1 2.999 0.002 . 2 2 . 1 20 20 LYS HE3 . 19711 1 240 . 1 1 20 20 LYS C C 13 178.045 0 . 1 1 . 1 20 20 LYS C . 19711 1 241 . 1 1 20 20 LYS CA C 13 58.421 0.071 . 1 6 . 1 20 20 LYS CA . 19711 1 242 . 1 1 20 20 LYS CB C 13 33.128 0.098 . 1 7 . 1 20 20 LYS CB . 19711 1 243 . 1 1 20 20 LYS CG C 13 24.968 0 . 1 1 . 1 20 20 LYS CG . 19711 1 244 . 1 1 20 20 LYS CD C 13 29.278 0 . 1 1 . 1 20 20 LYS CD . 19711 1 245 . 1 1 20 20 LYS CE C 13 41.968 0.078 . 1 2 . 1 20 20 LYS CE . 19711 1 246 . 1 1 20 20 LYS N N 15 118.712 0.078 . 1 23 . 1 20 20 LYS N . 19711 1 247 . 1 1 21 21 ILE H H 1 7.38 0.006 . 1 24 . 1 21 21 ILE H . 19711 1 248 . 1 1 21 21 ILE HA H 1 3.364 0.017 . 1 6 . 1 21 21 ILE HA . 19711 1 249 . 1 1 21 21 ILE HB H 1 1.97 0.02 . 1 9 . 1 21 21 ILE HB . 19711 1 250 . 1 1 21 21 ILE HG12 H 1 1.727 0 . 2 1 . 1 21 21 ILE HG12 . 19711 1 251 . 1 1 21 21 ILE HG13 H 1 1.651 0 . 2 2 . 1 21 21 ILE HG13 . 19711 1 252 . 1 1 21 21 ILE HG21 H 1 1.062 0.023 . 1 7 . 1 21 21 ILE MG . 19711 1 253 . 1 1 21 21 ILE HG22 H 1 1.062 0.023 . 1 7 . 1 21 21 ILE MG . 19711 1 254 . 1 1 21 21 ILE HG23 H 1 1.062 0.023 . 1 7 . 1 21 21 ILE MG . 19711 1 255 . 1 1 21 21 ILE HD11 H 1 0.739 0.007 . 1 3 . 1 21 21 ILE MD . 19711 1 256 . 1 1 21 21 ILE HD12 H 1 0.739 0.007 . 1 3 . 1 21 21 ILE MD . 19711 1 257 . 1 1 21 21 ILE HD13 H 1 0.739 0.007 . 1 3 . 1 21 21 ILE MD . 19711 1 258 . 1 1 21 21 ILE C C 13 178.163 0 . 1 1 . 1 21 21 ILE C . 19711 1 259 . 1 1 21 21 ILE CA C 13 65.681 0.062 . 1 5 . 1 21 21 ILE CA . 19711 1 260 . 1 1 21 21 ILE CB C 13 38.366 0.119 . 1 7 . 1 21 21 ILE CB . 19711 1 261 . 1 1 21 21 ILE CG1 C 13 29.212 0 . 1 1 . 1 21 21 ILE CG1 . 19711 1 262 . 1 1 21 21 ILE CG2 C 13 16.853 0 . 1 1 . 1 21 21 ILE CG2 . 19711 1 263 . 1 1 21 21 ILE CD1 C 13 13.744 0 . 1 1 . 1 21 21 ILE CD1 . 19711 1 264 . 1 1 21 21 ILE N N 15 117.368 0.025 . 1 24 . 1 21 21 ILE N . 19711 1 265 . 1 1 22 22 VAL H H 1 8.294 0.006 . 1 27 . 1 22 22 VAL H . 19711 1 266 . 1 1 22 22 VAL HA H 1 3.963 0.009 . 1 7 . 1 22 22 VAL HA . 19711 1 267 . 1 1 22 22 VAL HB H 1 1.989 0.012 . 1 6 . 1 22 22 VAL HB . 19711 1 268 . 1 1 22 22 VAL HG11 H 1 1.084 0.011 . 2 6 . 1 22 22 VAL MG1 . 19711 1 269 . 1 1 22 22 VAL HG12 H 1 1.084 0.011 . 2 6 . 1 22 22 VAL MG1 . 19711 1 270 . 1 1 22 22 VAL HG13 H 1 1.084 0.011 . 2 6 . 1 22 22 VAL MG1 . 19711 1 271 . 1 1 22 22 VAL HG21 H 1 1.264 0.012 . 2 10 . 1 22 22 VAL MG2 . 19711 1 272 . 1 1 22 22 VAL HG22 H 1 1.264 0.012 . 2 10 . 1 22 22 VAL MG2 . 19711 1 273 . 1 1 22 22 VAL HG23 H 1 1.264 0.012 . 2 10 . 1 22 22 VAL MG2 . 19711 1 274 . 1 1 22 22 VAL C C 13 178.808 0 . 1 1 . 1 22 22 VAL C . 19711 1 275 . 1 1 22 22 VAL CA C 13 67.58 0.08 . 1 6 . 1 22 22 VAL CA . 19711 1 276 . 1 1 22 22 VAL CB C 13 31.756 0.018 . 1 3 . 1 22 22 VAL CB . 19711 1 277 . 1 1 22 22 VAL CG1 C 13 24.429 0.099 . 2 4 . 1 22 22 VAL CG1 . 19711 1 278 . 1 1 22 22 VAL CG2 C 13 21.055 0 . 2 1 . 1 22 22 VAL CG2 . 19711 1 279 . 1 1 22 22 VAL N N 15 115.387 0.059 . 1 25 . 1 22 22 VAL N . 19711 1 280 . 1 1 23 23 GLU H H 1 8.768 0.008 . 1 26 . 1 23 23 GLU H . 19711 1 281 . 1 1 23 23 GLU HA H 1 4.055 0.008 . 1 11 . 1 23 23 GLU HA . 19711 1 282 . 1 1 23 23 GLU HB2 H 1 2.019 0.012 . 2 8 . 1 23 23 GLU HB2 . 19711 1 283 . 1 1 23 23 GLU HB3 H 1 2.306 0.009 . 2 10 . 1 23 23 GLU HB3 . 19711 1 284 . 1 1 23 23 GLU HG2 H 1 2.442 0.001 . 2 3 . 1 23 23 GLU HG2 . 19711 1 285 . 1 1 23 23 GLU HG3 H 1 2.702 0.009 . 2 7 . 1 23 23 GLU HG3 . 19711 1 286 . 1 1 23 23 GLU C C 13 178.898 0 . 1 1 . 1 23 23 GLU C . 19711 1 287 . 1 1 23 23 GLU CA C 13 60.143 0.074 . 1 8 . 1 23 23 GLU CA . 19711 1 288 . 1 1 23 23 GLU CB C 13 29.772 0.097 . 1 12 . 1 23 23 GLU CB . 19711 1 289 . 1 1 23 23 GLU CG C 13 37.436 0.003 . 1 2 . 1 23 23 GLU CG . 19711 1 290 . 1 1 23 23 GLU N N 15 120.282 0.098 . 1 23 . 1 23 23 GLU N . 19711 1 291 . 1 1 24 24 LYS H H 1 7.702 0.007 . 1 24 . 1 24 24 LYS H . 19711 1 292 . 1 1 24 24 LYS HA H 1 4.302 0.009 . 1 9 . 1 24 24 LYS HA . 19711 1 293 . 1 1 24 24 LYS HB2 H 1 1.633 0.027 . 2 8 . 1 24 24 LYS HB2 . 19711 1 294 . 1 1 24 24 LYS HB3 H 1 1.877 0.013 . 2 9 . 1 24 24 LYS HB3 . 19711 1 295 . 1 1 24 24 LYS HG2 H 1 1.381 0.003 . 2 3 . 1 24 24 LYS HG2 . 19711 1 296 . 1 1 24 24 LYS HG3 H 1 1.486 0.052 . 2 5 . 1 24 24 LYS HG3 . 19711 1 297 . 1 1 24 24 LYS HD2 H 1 1.571 0 . 2 1 . 1 24 24 LYS HD2 . 19711 1 298 . 1 1 24 24 LYS HD3 H 1 1.571 0 . 2 1 . 1 24 24 LYS HD3 . 19711 1 299 . 1 1 24 24 LYS HE2 H 1 2.924 0 . 2 1 . 1 24 24 LYS HE2 . 19711 1 300 . 1 1 24 24 LYS HE3 H 1 2.959 0 . 2 1 . 1 24 24 LYS HE3 . 19711 1 301 . 1 1 24 24 LYS C C 13 174.579 0 . 1 1 . 1 24 24 LYS C . 19711 1 302 . 1 1 24 24 LYS CA C 13 54.612 0.082 . 1 5 . 1 24 24 LYS CA . 19711 1 303 . 1 1 24 24 LYS CB C 13 31.524 0.058 . 1 14 . 1 24 24 LYS CB . 19711 1 304 . 1 1 24 24 LYS CG C 13 25.209 0.072 . 1 3 . 1 24 24 LYS CG . 19711 1 305 . 1 1 24 24 LYS CD C 13 28.452 0.052 . 1 2 . 1 24 24 LYS CD . 19711 1 306 . 1 1 24 24 LYS CE C 13 41.945 0 . 1 1 . 1 24 24 LYS CE . 19711 1 307 . 1 1 24 24 LYS N N 15 113.478 0.055 . 1 23 . 1 24 24 LYS N . 19711 1 308 . 1 1 25 25 ARG H H 1 7.502 0.006 . 1 15 . 1 25 25 ARG H . 19711 1 309 . 1 1 25 25 ARG HA H 1 2.617 0.011 . 1 8 . 1 25 25 ARG HA . 19711 1 310 . 1 1 25 25 ARG HB2 H 1 0.509 0.013 . 2 2 . 1 25 25 ARG HB2 . 19711 1 311 . 1 1 25 25 ARG HB3 H 1 0.75 0.038 . 2 3 . 1 25 25 ARG HB3 . 19711 1 312 . 1 1 25 25 ARG HG2 H 1 1.098 0 . 2 1 . 1 25 25 ARG HG2 . 19711 1 313 . 1 1 25 25 ARG HG3 H 1 1.098 0 . 2 1 . 1 25 25 ARG HG3 . 19711 1 314 . 1 1 25 25 ARG HD2 H 1 2.792 0 . 2 1 . 1 25 25 ARG HD2 . 19711 1 315 . 1 1 25 25 ARG HD3 H 1 2.792 0 . 2 1 . 1 25 25 ARG HD3 . 19711 1 316 . 1 1 25 25 ARG C C 13 174.561 0 . 1 1 . 1 25 25 ARG C . 19711 1 317 . 1 1 25 25 ARG CA C 13 55.74 0.11 . 1 8 . 1 25 25 ARG CA . 19711 1 318 . 1 1 25 25 ARG CB C 13 27.597 0.018 . 1 2 . 1 25 25 ARG CB . 19711 1 319 . 1 1 25 25 ARG CG C 13 27.235 0 . 1 1 . 1 25 25 ARG CG . 19711 1 320 . 1 1 25 25 ARG CD C 13 43.306 0 . 1 1 . 1 25 25 ARG CD . 19711 1 321 . 1 1 25 25 ARG N N 15 124.398 0.065 . 1 15 . 1 25 25 ARG N . 19711 1 322 . 1 1 26 26 ILE H H 1 8.468 0.007 . 1 24 . 1 26 26 ILE H . 19711 1 323 . 1 1 26 26 ILE HA H 1 3.547 0.007 . 1 13 . 1 26 26 ILE HA . 19711 1 324 . 1 1 26 26 ILE HB H 1 1.707 0.006 . 1 11 . 1 26 26 ILE HB . 19711 1 325 . 1 1 26 26 ILE HG12 H 1 0.866 0.005 . 2 6 . 1 26 26 ILE HG12 . 19711 1 326 . 1 1 26 26 ILE HG13 H 1 1.558 0.009 . 2 9 . 1 26 26 ILE HG13 . 19711 1 327 . 1 1 26 26 ILE HG21 H 1 0.709 0.008 . 1 8 . 1 26 26 ILE MG . 19711 1 328 . 1 1 26 26 ILE HG22 H 1 0.709 0.008 . 1 8 . 1 26 26 ILE MG . 19711 1 329 . 1 1 26 26 ILE HG23 H 1 0.709 0.008 . 1 8 . 1 26 26 ILE MG . 19711 1 330 . 1 1 26 26 ILE HD11 H 1 0.519 0.003 . 1 13 . 1 26 26 ILE MD . 19711 1 331 . 1 1 26 26 ILE HD12 H 1 0.519 0.003 . 1 13 . 1 26 26 ILE MD . 19711 1 332 . 1 1 26 26 ILE HD13 H 1 0.519 0.003 . 1 13 . 1 26 26 ILE MD . 19711 1 333 . 1 1 26 26 ILE C C 13 176.94 0 . 1 1 . 1 26 26 ILE C . 19711 1 334 . 1 1 26 26 ILE CA C 13 63.313 0.096 . 1 9 . 1 26 26 ILE CA . 19711 1 335 . 1 1 26 26 ILE CB C 13 38.851 0.041 . 1 8 . 1 26 26 ILE CB . 19711 1 336 . 1 1 26 26 ILE CG1 C 13 28.49 0.109 . 1 8 . 1 26 26 ILE CG1 . 19711 1 337 . 1 1 26 26 ILE CG2 C 13 17.192 0.107 . 1 4 . 1 26 26 ILE CG2 . 19711 1 338 . 1 1 26 26 ILE CD1 C 13 13.018 0.054 . 1 8 . 1 26 26 ILE CD1 . 19711 1 339 . 1 1 26 26 ILE N N 15 118.082 0.063 . 1 24 . 1 26 26 ILE N . 19711 1 340 . 1 1 27 27 GLU H H 1 8.488 0.006 . 1 14 . 1 27 27 GLU H . 19711 1 341 . 1 1 27 27 GLU HA H 1 4.99 0.013 . 1 11 . 1 27 27 GLU HA . 19711 1 342 . 1 1 27 27 GLU HB2 H 1 2.037 0.01 . 2 9 . 1 27 27 GLU HB2 . 19711 1 343 . 1 1 27 27 GLU HB3 H 1 2.174 0.003 . 2 7 . 1 27 27 GLU HB3 . 19711 1 344 . 1 1 27 27 GLU HG2 H 1 2.491 0.007 . 2 5 . 1 27 27 GLU HG2 . 19711 1 345 . 1 1 27 27 GLU HG3 H 1 2.451 0.004 . 2 4 . 1 27 27 GLU HG3 . 19711 1 346 . 1 1 27 27 GLU C C 13 175.537 0 . 1 1 . 1 27 27 GLU C . 19711 1 347 . 1 1 27 27 GLU CA C 13 56.071 0.112 . 1 8 . 1 27 27 GLU CA . 19711 1 348 . 1 1 27 27 GLU CB C 13 28.708 0.066 . 1 11 . 1 27 27 GLU CB . 19711 1 349 . 1 1 27 27 GLU CG C 13 36.109 0.056 . 1 3 . 1 27 27 GLU CG . 19711 1 350 . 1 1 27 27 GLU N N 15 129.129 0.019 . 1 14 . 1 27 27 GLU N . 19711 1 351 . 1 1 28 28 CYS H H 1 8.296 0.008 . 1 17 . 1 28 28 CYS H . 19711 1 352 . 1 1 28 28 CYS HA H 1 4.931 0.015 . 1 5 . 1 28 28 CYS HA . 19711 1 353 . 1 1 28 28 CYS HB2 H 1 2.919 0.02 . 2 8 . 1 28 28 CYS HB2 . 19711 1 354 . 1 1 28 28 CYS HB3 H 1 3.496 0.01 . 2 8 . 1 28 28 CYS HB3 . 19711 1 355 . 1 1 28 28 CYS C C 13 171.434 0 . 1 1 . 1 28 28 CYS C . 19711 1 356 . 1 1 28 28 CYS CA C 13 55.833 0.119 . 1 5 . 1 28 28 CYS CA . 19711 1 357 . 1 1 28 28 CYS CB C 13 30.067 0.114 . 1 9 . 1 28 28 CYS CB . 19711 1 358 . 1 1 28 28 CYS N N 15 119.204 0.059 . 1 17 . 1 28 28 CYS N . 19711 1 359 . 1 1 29 29 THR H H 1 10.737 0.009 . 1 14 . 1 29 29 THR H . 19711 1 360 . 1 1 29 29 THR HA H 1 4.701 0.008 . 1 8 . 1 29 29 THR HA . 19711 1 361 . 1 1 29 29 THR HB H 1 3.915 0.008 . 1 8 . 1 29 29 THR HB . 19711 1 362 . 1 1 29 29 THR HG21 H 1 1.048 0.001 . 1 6 . 1 29 29 THR MG . 19711 1 363 . 1 1 29 29 THR HG22 H 1 1.048 0.001 . 1 6 . 1 29 29 THR MG . 19711 1 364 . 1 1 29 29 THR HG23 H 1 1.048 0.001 . 1 6 . 1 29 29 THR MG . 19711 1 365 . 1 1 29 29 THR C C 13 173.891 0 . 1 1 . 1 29 29 THR C . 19711 1 366 . 1 1 29 29 THR CA C 13 62.781 0.091 . 1 6 . 1 29 29 THR CA . 19711 1 367 . 1 1 29 29 THR CB C 13 68.279 0.224 . 1 6 . 1 29 29 THR CB . 19711 1 368 . 1 1 29 29 THR CG2 C 13 22.732 0.054 . 1 4 . 1 29 29 THR CG2 . 19711 1 369 . 1 1 29 29 THR N N 15 121.511 0.03 . 1 11 . 1 29 29 THR N . 19711 1 370 . 1 1 30 30 VAL H H 1 8.71 0.003 . 1 14 . 1 30 30 VAL H . 19711 1 371 . 1 1 30 30 VAL HA H 1 5.021 0.01 . 1 9 . 1 30 30 VAL HA . 19711 1 372 . 1 1 30 30 VAL HB H 1 3.012 0.015 . 1 10 . 1 30 30 VAL HB . 19711 1 373 . 1 1 30 30 VAL HG11 H 1 0.648 0.008 . 2 8 . 1 30 30 VAL MG1 . 19711 1 374 . 1 1 30 30 VAL HG12 H 1 0.648 0.008 . 2 8 . 1 30 30 VAL MG1 . 19711 1 375 . 1 1 30 30 VAL HG13 H 1 0.648 0.008 . 2 8 . 1 30 30 VAL MG1 . 19711 1 376 . 1 1 30 30 VAL HG21 H 1 0.713 0.009 . 2 9 . 1 30 30 VAL MG2 . 19711 1 377 . 1 1 30 30 VAL HG22 H 1 0.713 0.009 . 2 9 . 1 30 30 VAL MG2 . 19711 1 378 . 1 1 30 30 VAL HG23 H 1 0.713 0.009 . 2 9 . 1 30 30 VAL MG2 . 19711 1 379 . 1 1 30 30 VAL C C 13 173.646 0 . 1 1 . 1 30 30 VAL C . 19711 1 380 . 1 1 30 30 VAL CA C 13 58.985 0.042 . 1 6 . 1 30 30 VAL CA . 19711 1 381 . 1 1 30 30 VAL CB C 13 33.257 0.077 . 1 7 . 1 30 30 VAL CB . 19711 1 382 . 1 1 30 30 VAL CG1 C 13 21.842 0.063 . 2 3 . 1 30 30 VAL CG1 . 19711 1 383 . 1 1 30 30 VAL CG2 C 13 18.135 0.135 . 2 4 . 1 30 30 VAL CG2 . 19711 1 384 . 1 1 30 30 VAL N N 15 119.317 0.067 . 1 14 . 1 30 30 VAL N . 19711 1 385 . 1 1 31 31 TYR H H 1 8.977 0.005 . 1 19 . 1 31 31 TYR H . 19711 1 386 . 1 1 31 31 TYR HA H 1 4.933 0.008 . 1 6 . 1 31 31 TYR HA . 19711 1 387 . 1 1 31 31 TYR HB2 H 1 2.487 0.014 . 2 6 . 1 31 31 TYR HB2 . 19711 1 388 . 1 1 31 31 TYR HB3 H 1 2.964 0.013 . 2 7 . 1 31 31 TYR HB3 . 19711 1 389 . 1 1 31 31 TYR HD1 H 1 6.873 0.004 . 3 2 . 1 31 31 TYR HD1 . 19711 1 390 . 1 1 31 31 TYR C C 13 174.998 0 . 1 1 . 1 31 31 TYR C . 19711 1 391 . 1 1 31 31 TYR CA C 13 57.441 0.034 . 1 5 . 1 31 31 TYR CA . 19711 1 392 . 1 1 31 31 TYR CB C 13 40.552 0.055 . 1 6 . 1 31 31 TYR CB . 19711 1 393 . 1 1 31 31 TYR N N 15 117.555 0.041 . 1 19 . 1 31 31 TYR N . 19711 1 394 . 1 1 32 32 SER H H 1 8.723 0.007 . 1 17 . 1 32 32 SER H . 19711 1 395 . 1 1 32 32 SER CA C 13 56.982 0 . 1 1 . 1 32 32 SER CA . 19711 1 396 . 1 1 32 32 SER CB C 13 66.677 0 . 1 1 . 1 32 32 SER CB . 19711 1 397 . 1 1 32 32 SER N N 15 116.166 0.096 . 1 17 . 1 32 32 SER N . 19711 1 398 . 1 1 33 33 VAL HA H 1 5.078 0.013 . 1 9 . 1 33 33 VAL HA . 19711 1 399 . 1 1 33 33 VAL HB H 1 1.663 0.006 . 1 7 . 1 33 33 VAL HB . 19711 1 400 . 1 1 33 33 VAL HG11 H 1 0.786 0.001 . 2 5 . 1 33 33 VAL MG1 . 19711 1 401 . 1 1 33 33 VAL HG12 H 1 0.786 0.001 . 2 5 . 1 33 33 VAL MG1 . 19711 1 402 . 1 1 33 33 VAL HG13 H 1 0.786 0.001 . 2 5 . 1 33 33 VAL MG1 . 19711 1 403 . 1 1 33 33 VAL HG21 H 1 0.872 0.002 . 2 3 . 1 33 33 VAL MG2 . 19711 1 404 . 1 1 33 33 VAL HG22 H 1 0.872 0.002 . 2 3 . 1 33 33 VAL MG2 . 19711 1 405 . 1 1 33 33 VAL HG23 H 1 0.872 0.002 . 2 3 . 1 33 33 VAL MG2 . 19711 1 406 . 1 1 33 33 VAL C C 13 176.665 0 . 1 1 . 1 33 33 VAL C . 19711 1 407 . 1 1 33 33 VAL CA C 13 59.547 0.051 . 1 6 . 1 33 33 VAL CA . 19711 1 408 . 1 1 33 33 VAL CB C 13 35.056 0.048 . 1 6 . 1 33 33 VAL CB . 19711 1 409 . 1 1 33 33 VAL CG1 C 13 21.018 0.108 . 2 4 . 1 33 33 VAL CG1 . 19711 1 410 . 1 1 34 34 ASP H H 1 8.71 0.006 . 1 11 . 1 34 34 ASP H . 19711 1 411 . 1 1 34 34 ASP HA H 1 4.906 0.011 . 1 8 . 1 34 34 ASP HA . 19711 1 412 . 1 1 34 34 ASP HB2 H 1 2.832 0.03 . 2 5 . 1 34 34 ASP HB2 . 19711 1 413 . 1 1 34 34 ASP HB3 H 1 3.464 0.01 . 2 8 . 1 34 34 ASP HB3 . 19711 1 414 . 1 1 34 34 ASP C C 13 178.243 0 . 1 1 . 1 34 34 ASP C . 19711 1 415 . 1 1 34 34 ASP CA C 13 52.196 0.034 . 1 6 . 1 34 34 ASP CA . 19711 1 416 . 1 1 34 34 ASP CB C 13 41.822 0.05 . 1 7 . 1 34 34 ASP CB . 19711 1 417 . 1 1 34 34 ASP N N 15 124.683 0.093 . 1 11 . 1 34 34 ASP N . 19711 1 418 . 1 1 35 35 ASN H H 1 8.774 0.011 . 1 19 . 1 35 35 ASN H . 19711 1 419 . 1 1 35 35 ASN HA H 1 4.447 0.012 . 1 8 . 1 35 35 ASN HA . 19711 1 420 . 1 1 35 35 ASN HB2 H 1 2.879 0.009 . 2 5 . 1 35 35 ASN HB2 . 19711 1 421 . 1 1 35 35 ASN HB3 H 1 2.853 0.008 . 2 6 . 1 35 35 ASN HB3 . 19711 1 422 . 1 1 35 35 ASN HD21 H 1 6.786 0.002 . 2 3 . 1 35 35 ASN HD21 . 19711 1 423 . 1 1 35 35 ASN HD22 H 1 7.509 0.034 . 2 5 . 1 35 35 ASN HD22 . 19711 1 424 . 1 1 35 35 ASN C C 13 175.828 0 . 1 1 . 1 35 35 ASN C . 19711 1 425 . 1 1 35 35 ASN CA C 13 55.167 0.108 . 1 6 . 1 35 35 ASN CA . 19711 1 426 . 1 1 35 35 ASN CB C 13 37.917 0.103 . 1 4 . 1 35 35 ASN CB . 19711 1 427 . 1 1 35 35 ASN CG C 13 176.854 0.009 . 1 2 . 1 35 35 ASN CG . 19711 1 428 . 1 1 35 35 ASN N N 15 115.295 0.045 . 1 16 . 1 35 35 ASN N . 19711 1 429 . 1 1 35 35 ASN ND2 N 15 111.609 0.197 . 1 8 . 1 35 35 ASN ND2 . 19711 1 430 . 1 1 36 36 ASN H H 1 8.394 0.007 . 1 15 . 1 36 36 ASN H . 19711 1 431 . 1 1 36 36 ASN HA H 1 4.951 0.008 . 1 8 . 1 36 36 ASN HA . 19711 1 432 . 1 1 36 36 ASN HB2 H 1 2.676 0.016 . 2 8 . 1 36 36 ASN HB2 . 19711 1 433 . 1 1 36 36 ASN HB3 H 1 2.978 0.01 . 2 5 . 1 36 36 ASN HB3 . 19711 1 434 . 1 1 36 36 ASN HD21 H 1 6.773 0.029 . 2 3 . 1 36 36 ASN HD21 . 19711 1 435 . 1 1 36 36 ASN HD22 H 1 7.43 0.031 . 2 6 . 1 36 36 ASN HD22 . 19711 1 436 . 1 1 36 36 ASN C C 13 175.303 0 . 1 1 . 1 36 36 ASN C . 19711 1 437 . 1 1 36 36 ASN CA C 13 52.766 0.064 . 1 6 . 1 36 36 ASN CA . 19711 1 438 . 1 1 36 36 ASN CB C 13 40.116 0.07 . 1 6 . 1 36 36 ASN CB . 19711 1 439 . 1 1 36 36 ASN CG C 13 178.393 0.047 . 1 2 . 1 36 36 ASN CG . 19711 1 440 . 1 1 36 36 ASN N N 15 117.029 0.077 . 1 13 . 1 36 36 ASN N . 19711 1 441 . 1 1 36 36 ASN ND2 N 15 112.095 0.228 . 1 8 . 1 36 36 ASN ND2 . 19711 1 442 . 1 1 37 37 GLY H H 1 8.136 0.006 . 1 18 . 1 37 37 GLY H . 19711 1 443 . 1 1 37 37 GLY HA2 H 1 3.477 0.012 . 2 5 . 1 37 37 GLY HA2 . 19711 1 444 . 1 1 37 37 GLY HA3 H 1 4.188 0.009 . 2 6 . 1 37 37 GLY HA3 . 19711 1 445 . 1 1 37 37 GLY C C 13 174.016 0 . 1 1 . 1 37 37 GLY C . 19711 1 446 . 1 1 37 37 GLY CA C 13 45.533 0.06 . 1 9 . 1 37 37 GLY CA . 19711 1 447 . 1 1 37 37 GLY N N 15 108.546 0.049 . 1 16 . 1 37 37 GLY N . 19711 1 448 . 1 1 38 38 ASN H H 1 8.594 0.005 . 1 12 . 1 38 38 ASN H . 19711 1 449 . 1 1 38 38 ASN HA H 1 4.793 0.004 . 1 5 . 1 38 38 ASN HA . 19711 1 450 . 1 1 38 38 ASN HB2 H 1 2.705 0.011 . 2 7 . 1 38 38 ASN HB2 . 19711 1 451 . 1 1 38 38 ASN HB3 H 1 3.01 0.011 . 2 10 . 1 38 38 ASN HB3 . 19711 1 452 . 1 1 38 38 ASN HD21 H 1 7.162 0.002 . 2 5 . 1 38 38 ASN HD21 . 19711 1 453 . 1 1 38 38 ASN HD22 H 1 8.416 0.003 . 2 2 . 1 38 38 ASN HD22 . 19711 1 454 . 1 1 38 38 ASN C C 13 174.226 0 . 1 1 . 1 38 38 ASN C . 19711 1 455 . 1 1 38 38 ASN CA C 13 53.175 0.064 . 1 5 . 1 38 38 ASN CA . 19711 1 456 . 1 1 38 38 ASN CB C 13 39.247 0.132 . 1 7 . 1 38 38 ASN CB . 19711 1 457 . 1 1 38 38 ASN CG C 13 177.259 0.016 . 1 2 . 1 38 38 ASN CG . 19711 1 458 . 1 1 38 38 ASN N N 15 120.072 0.042 . 1 12 . 1 38 38 ASN N . 19711 1 459 . 1 1 38 38 ASN ND2 N 15 117.736 0.278 . 1 6 . 1 38 38 ASN ND2 . 19711 1 460 . 1 1 39 39 ILE H H 1 8.41 0.005 . 1 22 . 1 39 39 ILE H . 19711 1 461 . 1 1 39 39 ILE HA H 1 5.23 0.004 . 1 13 . 1 39 39 ILE HA . 19711 1 462 . 1 1 39 39 ILE HB H 1 1.839 0.012 . 1 10 . 1 39 39 ILE HB . 19711 1 463 . 1 1 39 39 ILE HG12 H 1 1.237 0.008 . 2 8 . 1 39 39 ILE HG12 . 19711 1 464 . 1 1 39 39 ILE HG13 H 1 1.619 0.012 . 2 8 . 1 39 39 ILE HG13 . 19711 1 465 . 1 1 39 39 ILE HG21 H 1 1.013 0.004 . 1 10 . 1 39 39 ILE MG . 19711 1 466 . 1 1 39 39 ILE HG22 H 1 1.013 0.004 . 1 10 . 1 39 39 ILE MG . 19711 1 467 . 1 1 39 39 ILE HG23 H 1 1.013 0.004 . 1 10 . 1 39 39 ILE MG . 19711 1 468 . 1 1 39 39 ILE HD11 H 1 0.801 0.001 . 1 11 . 1 39 39 ILE MD . 19711 1 469 . 1 1 39 39 ILE HD12 H 1 0.801 0.001 . 1 11 . 1 39 39 ILE MD . 19711 1 470 . 1 1 39 39 ILE HD13 H 1 0.801 0.001 . 1 11 . 1 39 39 ILE MD . 19711 1 471 . 1 1 39 39 ILE C C 13 176.434 0 . 1 1 . 1 39 39 ILE C . 19711 1 472 . 1 1 39 39 ILE CA C 13 59.366 0.081 . 1 9 . 1 39 39 ILE CA . 19711 1 473 . 1 1 39 39 ILE CB C 13 38.751 0.094 . 1 7 . 1 39 39 ILE CB . 19711 1 474 . 1 1 39 39 ILE CG1 C 13 28.009 0.069 . 1 6 . 1 39 39 ILE CG1 . 19711 1 475 . 1 1 39 39 ILE CG2 C 13 18.535 0.063 . 1 7 . 1 39 39 ILE CG2 . 19711 1 476 . 1 1 39 39 ILE CD1 C 13 13.263 0.027 . 1 6 . 1 39 39 ILE CD1 . 19711 1 477 . 1 1 39 39 ILE N N 15 122.476 0.049 . 1 22 . 1 39 39 ILE N . 19711 1 478 . 1 1 40 40 TYR H H 1 9.196 0.01 . 1 16 . 1 40 40 TYR H . 19711 1 479 . 1 1 40 40 TYR HA H 1 5.079 0.009 . 1 8 . 1 40 40 TYR HA . 19711 1 480 . 1 1 40 40 TYR HB2 H 1 2.988 0.011 . 2 4 . 1 40 40 TYR HB2 . 19711 1 481 . 1 1 40 40 TYR HB3 H 1 3.176 0.014 . 2 5 . 1 40 40 TYR HB3 . 19711 1 482 . 1 1 40 40 TYR HD1 H 1 6.964 0.006 . 3 2 . 1 40 40 TYR HD1 . 19711 1 483 . 1 1 40 40 TYR HE1 H 1 6.386 0 . 3 1 . 1 40 40 TYR HE1 . 19711 1 484 . 1 1 40 40 TYR C C 13 172.141 0 . 1 1 . 1 40 40 TYR C . 19711 1 485 . 1 1 40 40 TYR CA C 13 55.775 0.059 . 1 6 . 1 40 40 TYR CA . 19711 1 486 . 1 1 40 40 TYR CB C 13 40.065 0.119 . 1 7 . 1 40 40 TYR CB . 19711 1 487 . 1 1 40 40 TYR N N 15 126.729 0.049 . 1 13 . 1 40 40 TYR N . 19711 1 488 . 1 1 41 41 THR H H 1 7.941 0.007 . 1 19 . 1 41 41 THR H . 19711 1 489 . 1 1 41 41 THR HA H 1 5.544 0.011 . 1 9 . 1 41 41 THR HA . 19711 1 490 . 1 1 41 41 THR HB H 1 3.851 0.008 . 1 8 . 1 41 41 THR HB . 19711 1 491 . 1 1 41 41 THR HG21 H 1 0.468 0.012 . 1 9 . 1 41 41 THR MG . 19711 1 492 . 1 1 41 41 THR HG22 H 1 0.468 0.012 . 1 9 . 1 41 41 THR MG . 19711 1 493 . 1 1 41 41 THR HG23 H 1 0.468 0.012 . 1 9 . 1 41 41 THR MG . 19711 1 494 . 1 1 41 41 THR C C 13 174.998 0 . 1 1 . 1 41 41 THR C . 19711 1 495 . 1 1 41 41 THR CA C 13 58.116 0.073 . 1 6 . 1 41 41 THR CA . 19711 1 496 . 1 1 41 41 THR CB C 13 70.659 0.228 . 1 6 . 1 41 41 THR CB . 19711 1 497 . 1 1 41 41 THR CG2 C 13 21.925 0.015 . 1 4 . 1 41 41 THR CG2 . 19711 1 498 . 1 1 41 41 THR N N 15 107.27 0.093 . 1 19 . 1 41 41 THR N . 19711 1 499 . 1 1 42 42 GLN H H 1 8.728 0.008 . 1 23 . 1 42 42 GLN H . 19711 1 500 . 1 1 42 42 GLN HA H 1 5.164 0.006 . 1 5 . 1 42 42 GLN HA . 19711 1 501 . 1 1 42 42 GLN HB2 H 1 2.229 0.015 . 2 2 . 1 42 42 GLN HB2 . 19711 1 502 . 1 1 42 42 GLN HB3 H 1 2.151 0.009 . 2 2 . 1 42 42 GLN HB3 . 19711 1 503 . 1 1 42 42 GLN HE21 H 1 6.929 0.01 . 2 2 . 1 42 42 GLN HE21 . 19711 1 504 . 1 1 42 42 GLN HE22 H 1 7.432 0.001 . 2 2 . 1 42 42 GLN HE22 . 19711 1 505 . 1 1 42 42 GLN CA C 13 53.535 0.226 . 1 4 . 1 42 42 GLN CA . 19711 1 506 . 1 1 42 42 GLN CB C 13 30.075 0.01 . 1 2 . 1 42 42 GLN CB . 19711 1 507 . 1 1 42 42 GLN CD C 13 177.411 0.007 . 1 2 . 1 42 42 GLN CD . 19711 1 508 . 1 1 42 42 GLN N N 15 116.62 0.086 . 1 22 . 1 42 42 GLN N . 19711 1 509 . 1 1 42 42 GLN NE2 N 15 112.584 0.294 . 1 4 . 1 42 42 GLN NE2 . 19711 1 510 . 1 1 43 43 PRO HA H 1 5.004 0.011 . 1 10 . 1 43 43 PRO HA . 19711 1 511 . 1 1 43 43 PRO HB2 H 1 2.385 0.009 . 2 8 . 1 43 43 PRO HB2 . 19711 1 512 . 1 1 43 43 PRO HB3 H 1 1.852 0.003 . 2 8 . 1 43 43 PRO HB3 . 19711 1 513 . 1 1 43 43 PRO HG2 H 1 1.389 0 . 2 1 . 1 43 43 PRO HG2 . 19711 1 514 . 1 1 43 43 PRO HG3 H 1 2.099 0.004 . 2 9 . 1 43 43 PRO HG3 . 19711 1 515 . 1 1 43 43 PRO HD2 H 1 3.915 0.022 . 2 4 . 1 43 43 PRO HD2 . 19711 1 516 . 1 1 43 43 PRO HD3 H 1 3.82 0.006 . 2 3 . 1 43 43 PRO HD3 . 19711 1 517 . 1 1 43 43 PRO C C 13 177.323 0 . 1 1 . 1 43 43 PRO C . 19711 1 518 . 1 1 43 43 PRO CA C 13 62.344 0.047 . 1 6 . 1 43 43 PRO CA . 19711 1 519 . 1 1 43 43 PRO CB C 13 32.593 0.118 . 1 12 . 1 43 43 PRO CB . 19711 1 520 . 1 1 43 43 PRO CG C 13 27.352 0.08 . 1 6 . 1 43 43 PRO CG . 19711 1 521 . 1 1 43 43 PRO CD C 13 51.181 0 . 1 1 . 1 43 43 PRO CD . 19711 1 522 . 1 1 44 44 VAL H H 1 8.453 0.007 . 1 19 . 1 44 44 VAL H . 19711 1 523 . 1 1 44 44 VAL HA H 1 3.473 0.018 . 1 9 . 1 44 44 VAL HA . 19711 1 524 . 1 1 44 44 VAL HB H 1 1.815 0.018 . 1 5 . 1 44 44 VAL HB . 19711 1 525 . 1 1 44 44 VAL HG11 H 1 -0.085 0.012 . 2 5 . 1 44 44 VAL MG1 . 19711 1 526 . 1 1 44 44 VAL HG12 H 1 -0.085 0.012 . 2 5 . 1 44 44 VAL MG1 . 19711 1 527 . 1 1 44 44 VAL HG13 H 1 -0.085 0.012 . 2 5 . 1 44 44 VAL MG1 . 19711 1 528 . 1 1 44 44 VAL HG21 H 1 0.761 0.014 . 2 6 . 1 44 44 VAL MG2 . 19711 1 529 . 1 1 44 44 VAL HG22 H 1 0.761 0.014 . 2 6 . 1 44 44 VAL MG2 . 19711 1 530 . 1 1 44 44 VAL HG23 H 1 0.761 0.014 . 2 6 . 1 44 44 VAL MG2 . 19711 1 531 . 1 1 44 44 VAL C C 13 175.357 0 . 1 1 . 1 44 44 VAL C . 19711 1 532 . 1 1 44 44 VAL CA C 13 65.638 0.079 . 1 7 . 1 44 44 VAL CA . 19711 1 533 . 1 1 44 44 VAL CB C 13 31.807 0.123 . 1 6 . 1 44 44 VAL CB . 19711 1 534 . 1 1 44 44 VAL CG1 C 13 25.563 0 . 2 1 . 1 44 44 VAL CG1 . 19711 1 535 . 1 1 44 44 VAL CG2 C 13 21.159 0 . 2 1 . 1 44 44 VAL CG2 . 19711 1 536 . 1 1 44 44 VAL N N 15 121.29 0.075 . 1 18 . 1 44 44 VAL N . 19711 1 537 . 1 1 45 45 ALA H H 1 8.45 0.007 . 1 15 . 1 45 45 ALA H . 19711 1 538 . 1 1 45 45 ALA HA H 1 4.33 0.02 . 1 7 . 1 45 45 ALA HA . 19711 1 539 . 1 1 45 45 ALA HB1 H 1 1.242 0.025 . 1 3 . 1 45 45 ALA MB . 19711 1 540 . 1 1 45 45 ALA HB2 H 1 1.242 0.025 . 1 3 . 1 45 45 ALA MB . 19711 1 541 . 1 1 45 45 ALA HB3 H 1 1.242 0.025 . 1 3 . 1 45 45 ALA MB . 19711 1 542 . 1 1 45 45 ALA C C 13 176.139 0 . 1 1 . 1 45 45 ALA C . 19711 1 543 . 1 1 45 45 ALA CA C 13 51.719 0.096 . 1 7 . 1 45 45 ALA CA . 19711 1 544 . 1 1 45 45 ALA CB C 13 22.341 0.151 . 1 3 . 1 45 45 ALA CB . 19711 1 545 . 1 1 45 45 ALA N N 15 128.036 0.073 . 1 13 . 1 45 45 ALA N . 19711 1 546 . 1 1 46 46 GLN H H 1 6.993 0.007 . 1 17 . 1 46 46 GLN H . 19711 1 547 . 1 1 46 46 GLN HA H 1 4.324 0.01 . 1 6 . 1 46 46 GLN HA . 19711 1 548 . 1 1 46 46 GLN HB2 H 1 2.098 0.011 . 2 8 . 1 46 46 GLN HB2 . 19711 1 549 . 1 1 46 46 GLN HB3 H 1 2.316 0.012 . 2 6 . 1 46 46 GLN HB3 . 19711 1 550 . 1 1 46 46 GLN HG2 H 1 1.583 0.007 . 2 2 . 1 46 46 GLN HG2 . 19711 1 551 . 1 1 46 46 GLN HG3 H 1 1.501 0.239 . 2 2 . 1 46 46 GLN HG3 . 19711 1 552 . 1 1 46 46 GLN HE21 H 1 6.807 0.022 . 2 7 . 1 46 46 GLN HE21 . 19711 1 553 . 1 1 46 46 GLN HE22 H 1 7.637 0.002 . 2 7 . 1 46 46 GLN HE22 . 19711 1 554 . 1 1 46 46 GLN C C 13 173.017 0 . 1 1 . 1 46 46 GLN C . 19711 1 555 . 1 1 46 46 GLN CA C 13 54.749 0.069 . 1 5 . 1 46 46 GLN CA . 19711 1 556 . 1 1 46 46 GLN CB C 13 33.565 0.24 . 1 8 . 1 46 46 GLN CB . 19711 1 557 . 1 1 46 46 GLN CG C 13 33.398 0 . 1 1 . 1 46 46 GLN CG . 19711 1 558 . 1 1 46 46 GLN CD C 13 180.146 0.026 . 1 2 . 1 46 46 GLN CD . 19711 1 559 . 1 1 46 46 GLN N N 15 113.747 0.089 . 1 17 . 1 46 46 GLN N . 19711 1 560 . 1 1 46 46 GLN NE2 N 15 112.298 0.179 . 1 14 . 1 46 46 GLN NE2 . 19711 1 561 . 1 1 47 47 TRP H H 1 8.488 0.006 . 1 15 . 1 47 47 TRP H . 19711 1 562 . 1 1 47 47 TRP HA H 1 4.697 0 . 1 1 . 1 47 47 TRP HA . 19711 1 563 . 1 1 47 47 TRP HD1 H 1 7.007 0 . 1 1 . 1 47 47 TRP HD1 . 19711 1 564 . 1 1 47 47 TRP HE1 H 1 9.424 0 . 1 1 . 1 47 47 TRP HE1 . 19711 1 565 . 1 1 47 47 TRP C C 13 173.983 0 . 1 1 . 1 47 47 TRP C . 19711 1 566 . 1 1 47 47 TRP CA C 13 58.7 0.036 . 1 3 . 1 47 47 TRP CA . 19711 1 567 . 1 1 47 47 TRP CB C 13 32.599 0.175 . 1 4 . 1 47 47 TRP CB . 19711 1 568 . 1 1 47 47 TRP N N 15 121.941 0.101 . 1 14 . 1 47 47 TRP N . 19711 1 569 . 1 1 47 47 TRP NE1 N 15 127.526 0 . 1 1 . 1 47 47 TRP NE1 . 19711 1 570 . 1 1 48 48 HIS H H 1 8.734 0.022 . 1 13 . 1 48 48 HIS H . 19711 1 571 . 1 1 48 48 HIS HA H 1 5.213 0.015 . 1 5 . 1 48 48 HIS HA . 19711 1 572 . 1 1 48 48 HIS HB2 H 1 2.659 0.013 . 2 2 . 1 48 48 HIS HB2 . 19711 1 573 . 1 1 48 48 HIS HB3 H 1 3.12 0.035 . 2 2 . 1 48 48 HIS HB3 . 19711 1 574 . 1 1 48 48 HIS HD1 H 1 6.492 0 . 1 1 . 1 48 48 HIS HD1 . 19711 1 575 . 1 1 48 48 HIS C C 13 173.534 0 . 1 1 . 1 48 48 HIS C . 19711 1 576 . 1 1 48 48 HIS CA C 13 54.817 0.18 . 1 6 . 1 48 48 HIS CA . 19711 1 577 . 1 1 48 48 HIS CB C 13 32.353 0.069 . 1 4 . 1 48 48 HIS CB . 19711 1 578 . 1 1 48 48 HIS N N 15 119.673 0.114 . 1 13 . 1 48 48 HIS N . 19711 1 579 . 1 1 49 49 ASP H H 1 9.161 0.006 . 1 13 . 1 49 49 ASP H . 19711 1 580 . 1 1 49 49 ASP HA H 1 4.748 0.024 . 1 11 . 1 49 49 ASP HA . 19711 1 581 . 1 1 49 49 ASP HB2 H 1 2.578 0.023 . 2 5 . 1 49 49 ASP HB2 . 19711 1 582 . 1 1 49 49 ASP HB3 H 1 3.152 0.014 . 2 8 . 1 49 49 ASP HB3 . 19711 1 583 . 1 1 49 49 ASP C C 13 177.251 0 . 1 1 . 1 49 49 ASP C . 19711 1 584 . 1 1 49 49 ASP CA C 13 53.683 0.037 . 1 6 . 1 49 49 ASP CA . 19711 1 585 . 1 1 49 49 ASP CB C 13 40.615 0.121 . 1 7 . 1 49 49 ASP CB . 19711 1 586 . 1 1 49 49 ASP N N 15 127.993 0.069 . 1 11 . 1 49 49 ASP N . 19711 1 587 . 1 1 50 50 ARG H H 1 7.788 0.007 . 1 24 . 1 50 50 ARG H . 19711 1 588 . 1 1 50 50 ARG HA H 1 4.306 0.01 . 1 5 . 1 50 50 ARG HA . 19711 1 589 . 1 1 50 50 ARG HB2 H 1 1.581 0.034 . 2 9 . 1 50 50 ARG HB2 . 19711 1 590 . 1 1 50 50 ARG HB3 H 1 1.881 0.011 . 2 9 . 1 50 50 ARG HB3 . 19711 1 591 . 1 1 50 50 ARG HG2 H 1 1.934 0.013 . 2 11 . 1 50 50 ARG HG2 . 19711 1 592 . 1 1 50 50 ARG HG3 H 1 1.524 0.002 . 2 4 . 1 50 50 ARG HG3 . 19711 1 593 . 1 1 50 50 ARG HD2 H 1 2.952 0.001 . 2 2 . 1 50 50 ARG HD2 . 19711 1 594 . 1 1 50 50 ARG HD3 H 1 3.209 0.005 . 2 3 . 1 50 50 ARG HD3 . 19711 1 595 . 1 1 50 50 ARG C C 13 176.596 0 . 1 1 . 1 50 50 ARG C . 19711 1 596 . 1 1 50 50 ARG CA C 13 54.744 0.149 . 1 6 . 1 50 50 ARG CA . 19711 1 597 . 1 1 50 50 ARG CB C 13 30.711 0.111 . 1 7 . 1 50 50 ARG CB . 19711 1 598 . 1 1 50 50 ARG CG C 13 25.523 0.076 . 1 7 . 1 50 50 ARG CG . 19711 1 599 . 1 1 50 50 ARG CD C 13 43.235 0.021 . 1 3 . 1 50 50 ARG CD . 19711 1 600 . 1 1 50 50 ARG N N 15 123.471 0.057 . 1 23 . 1 50 50 ARG N . 19711 1 601 . 1 1 51 51 GLY H H 1 8.546 0.006 . 1 20 . 1 51 51 GLY H . 19711 1 602 . 1 1 51 51 GLY HA2 H 1 3.824 0.01 . 2 7 . 1 51 51 GLY HA2 . 19711 1 603 . 1 1 51 51 GLY HA3 H 1 4.069 0.006 . 2 5 . 1 51 51 GLY HA3 . 19711 1 604 . 1 1 51 51 GLY C C 13 172.479 0 . 1 1 . 1 51 51 GLY C . 19711 1 605 . 1 1 51 51 GLY CA C 13 44.688 0.055 . 1 8 . 1 51 51 GLY CA . 19711 1 606 . 1 1 51 51 GLY N N 15 110.197 0.037 . 1 19 . 1 51 51 GLY N . 19711 1 607 . 1 1 52 52 GLU H H 1 8.276 0.004 . 1 20 . 1 52 52 GLU H . 19711 1 608 . 1 1 52 52 GLU HA H 1 4.457 0.016 . 1 11 . 1 52 52 GLU HA . 19711 1 609 . 1 1 52 52 GLU HB2 H 1 1.617 0.013 . 2 9 . 1 52 52 GLU HB2 . 19711 1 610 . 1 1 52 52 GLU HB3 H 1 1.866 0.012 . 2 7 . 1 52 52 GLU HB3 . 19711 1 611 . 1 1 52 52 GLU HG2 H 1 1.86 0.005 . 2 8 . 1 52 52 GLU HG2 . 19711 1 612 . 1 1 52 52 GLU HG3 H 1 2.18 0.013 . 2 9 . 1 52 52 GLU HG3 . 19711 1 613 . 1 1 52 52 GLU C C 13 177.238 0 . 1 1 . 1 52 52 GLU C . 19711 1 614 . 1 1 52 52 GLU CA C 13 56.13 0.084 . 1 6 . 1 52 52 GLU CA . 19711 1 615 . 1 1 52 52 GLU CB C 13 30.636 0.051 . 1 8 . 1 52 52 GLU CB . 19711 1 616 . 1 1 52 52 GLU CG C 13 36.964 0.055 . 1 8 . 1 52 52 GLU CG . 19711 1 617 . 1 1 52 52 GLU N N 15 118.057 0.044 . 1 20 . 1 52 52 GLU N . 19711 1 618 . 1 1 53 53 GLN H H 1 8.676 0.011 . 1 24 . 1 53 53 GLN H . 19711 1 619 . 1 1 53 53 GLN HA H 1 4.708 0.01 . 1 8 . 1 53 53 GLN HA . 19711 1 620 . 1 1 53 53 GLN HB2 H 1 2.129 0.011 . 2 9 . 1 53 53 GLN HB2 . 19711 1 621 . 1 1 53 53 GLN HB3 H 1 2.411 0.013 . 2 11 . 1 53 53 GLN HB3 . 19711 1 622 . 1 1 53 53 GLN HG2 H 1 2.463 0 . 2 1 . 1 53 53 GLN HG2 . 19711 1 623 . 1 1 53 53 GLN HG3 H 1 1.458 0.015 . 2 5 . 1 53 53 GLN HG3 . 19711 1 624 . 1 1 53 53 GLN HE21 H 1 6.66 0.002 . 2 3 . 1 53 53 GLN HE21 . 19711 1 625 . 1 1 53 53 GLN HE22 H 1 7.032 0.008 . 2 4 . 1 53 53 GLN HE22 . 19711 1 626 . 1 1 53 53 GLN C C 13 174.21 0 . 1 1 . 1 53 53 GLN C . 19711 1 627 . 1 1 53 53 GLN CA C 13 54.216 0.044 . 1 6 . 1 53 53 GLN CA . 19711 1 628 . 1 1 53 53 GLN CB C 13 33.949 0.112 . 1 9 . 1 53 53 GLN CB . 19711 1 629 . 1 1 53 53 GLN CG C 13 33.787 0.037 . 1 2 . 1 53 53 GLN CG . 19711 1 630 . 1 1 53 53 GLN CD C 13 179.041 0.004 . 1 2 . 1 53 53 GLN CD . 19711 1 631 . 1 1 53 53 GLN N N 15 122.549 0.048 . 1 22 . 1 53 53 GLN N . 19711 1 632 . 1 1 53 53 GLN NE2 N 15 110.403 0.246 . 1 6 . 1 53 53 GLN NE2 . 19711 1 633 . 1 1 54 54 GLU H H 1 8.771 0.007 . 1 16 . 1 54 54 GLU H . 19711 1 634 . 1 1 54 54 GLU HA H 1 4.118 0.004 . 1 10 . 1 54 54 GLU HA . 19711 1 635 . 1 1 54 54 GLU HB2 H 1 2.006 0.014 . 2 5 . 1 54 54 GLU HB2 . 19711 1 636 . 1 1 54 54 GLU HB3 H 1 2.293 0.009 . 2 2 . 1 54 54 GLU HB3 . 19711 1 637 . 1 1 54 54 GLU HG2 H 1 2.49 0.004 . 2 4 . 1 54 54 GLU HG2 . 19711 1 638 . 1 1 54 54 GLU HG3 H 1 2.394 0.001 . 2 3 . 1 54 54 GLU HG3 . 19711 1 639 . 1 1 54 54 GLU C C 13 175.56 0 . 1 1 . 1 54 54 GLU C . 19711 1 640 . 1 1 54 54 GLU CA C 13 57.886 0.075 . 1 8 . 1 54 54 GLU CA . 19711 1 641 . 1 1 54 54 GLU CB C 13 30.475 0.041 . 1 6 . 1 54 54 GLU CB . 19711 1 642 . 1 1 54 54 GLU CG C 13 36.859 0.053 . 1 3 . 1 54 54 GLU CG . 19711 1 643 . 1 1 54 54 GLU N N 15 119.449 0.044 . 1 16 . 1 54 54 GLU N . 19711 1 644 . 1 1 55 55 VAL H H 1 8.33 0.006 . 1 12 . 1 55 55 VAL H . 19711 1 645 . 1 1 55 55 VAL HA H 1 4.163 0.013 . 1 6 . 1 55 55 VAL HA . 19711 1 646 . 1 1 55 55 VAL HB H 1 1.663 0.015 . 1 7 . 1 55 55 VAL HB . 19711 1 647 . 1 1 55 55 VAL HG11 H 1 0.747 0.014 . 2 6 . 1 55 55 VAL MG1 . 19711 1 648 . 1 1 55 55 VAL HG12 H 1 0.747 0.014 . 2 6 . 1 55 55 VAL MG1 . 19711 1 649 . 1 1 55 55 VAL HG13 H 1 0.747 0.014 . 2 6 . 1 55 55 VAL MG1 . 19711 1 650 . 1 1 55 55 VAL HG21 H 1 0.738 0 . 2 1 . 1 55 55 VAL MG2 . 19711 1 651 . 1 1 55 55 VAL HG22 H 1 0.738 0 . 2 1 . 1 55 55 VAL MG2 . 19711 1 652 . 1 1 55 55 VAL HG23 H 1 0.738 0 . 2 1 . 1 55 55 VAL MG2 . 19711 1 653 . 1 1 55 55 VAL C C 13 173.175 0 . 1 1 . 1 55 55 VAL C . 19711 1 654 . 1 1 55 55 VAL CA C 13 62.216 0.052 . 1 5 . 1 55 55 VAL CA . 19711 1 655 . 1 1 55 55 VAL CB C 13 34.359 0.284 . 1 6 . 1 55 55 VAL CB . 19711 1 656 . 1 1 55 55 VAL CG1 C 13 24.689 0.043 . 2 2 . 1 55 55 VAL CG1 . 19711 1 657 . 1 1 55 55 VAL CG2 C 13 23.038 0.034 . 2 2 . 1 55 55 VAL CG2 . 19711 1 658 . 1 1 55 55 VAL N N 15 124.494 0.082 . 1 12 . 1 55 55 VAL N . 19711 1 659 . 1 1 56 56 PHE H H 1 8.637 0.006 . 1 13 . 1 56 56 PHE H . 19711 1 660 . 1 1 56 56 PHE HA H 1 4.741 0.011 . 1 7 . 1 56 56 PHE HA . 19711 1 661 . 1 1 56 56 PHE HB2 H 1 2.063 0.013 . 2 4 . 1 56 56 PHE HB2 . 19711 1 662 . 1 1 56 56 PHE HB3 H 1 2.952 0.016 . 2 4 . 1 56 56 PHE HB3 . 19711 1 663 . 1 1 56 56 PHE HD1 H 1 7.086 0 . 3 1 . 1 56 56 PHE HD1 . 19711 1 664 . 1 1 56 56 PHE C C 13 172.346 0 . 1 1 . 1 56 56 PHE C . 19711 1 665 . 1 1 56 56 PHE CA C 13 56.309 0.1 . 1 6 . 1 56 56 PHE CA . 19711 1 666 . 1 1 56 56 PHE CB C 13 42.929 0.087 . 1 6 . 1 56 56 PHE CB . 19711 1 667 . 1 1 56 56 PHE N N 15 124.874 0.028 . 1 13 . 1 56 56 PHE N . 19711 1 668 . 1 1 57 57 GLU H H 1 9.325 0.006 . 1 22 . 1 57 57 GLU H . 19711 1 669 . 1 1 57 57 GLU HA H 1 4.885 0.014 . 1 6 . 1 57 57 GLU HA . 19711 1 670 . 1 1 57 57 GLU HB2 H 1 2.004 0.011 . 2 7 . 1 57 57 GLU HB2 . 19711 1 671 . 1 1 57 57 GLU HB3 H 1 1.81 0.032 . 2 5 . 1 57 57 GLU HB3 . 19711 1 672 . 1 1 57 57 GLU HG2 H 1 1.787 0.007 . 2 3 . 1 57 57 GLU HG2 . 19711 1 673 . 1 1 57 57 GLU HG3 H 1 1.779 0 . 2 1 . 1 57 57 GLU HG3 . 19711 1 674 . 1 1 57 57 GLU C C 13 174.512 0 . 1 1 . 1 57 57 GLU C . 19711 1 675 . 1 1 57 57 GLU CA C 13 54.709 0.056 . 1 5 . 1 57 57 GLU CA . 19711 1 676 . 1 1 57 57 GLU CB C 13 33.46 0.058 . 1 6 . 1 57 57 GLU CB . 19711 1 677 . 1 1 57 57 GLU CG C 13 39.023 0.026 . 1 4 . 1 57 57 GLU CG . 19711 1 678 . 1 1 57 57 GLU N N 15 120.512 0.043 . 1 22 . 1 57 57 GLU N . 19711 1 679 . 1 1 58 58 TYR H H 1 9.834 0.005 . 1 15 . 1 58 58 TYR H . 19711 1 680 . 1 1 58 58 TYR HA H 1 4.866 0.005 . 1 2 . 1 58 58 TYR HA . 19711 1 681 . 1 1 58 58 TYR HB2 H 1 2.602 0 . 2 2 . 1 58 58 TYR HB2 . 19711 1 682 . 1 1 58 58 TYR HB3 H 1 2.74 0.015 . 2 2 . 1 58 58 TYR HB3 . 19711 1 683 . 1 1 58 58 TYR HD1 H 1 6.357 0 . 3 1 . 1 58 58 TYR HD1 . 19711 1 684 . 1 1 58 58 TYR HE1 H 1 6.531 0 . 3 1 . 1 58 58 TYR HE1 . 19711 1 685 . 1 1 58 58 TYR C C 13 173.924 0 . 1 1 . 1 58 58 TYR C . 19711 1 686 . 1 1 58 58 TYR CA C 13 57.202 0.023 . 1 3 . 1 58 58 TYR CA . 19711 1 687 . 1 1 58 58 TYR CB C 13 38.195 0.159 . 1 5 . 1 58 58 TYR CB . 19711 1 688 . 1 1 58 58 TYR N N 15 131.227 0.069 . 1 12 . 1 58 58 TYR N . 19711 1 689 . 1 1 59 59 CYS H H 1 8.551 0.006 . 1 25 . 1 59 59 CYS H . 19711 1 690 . 1 1 59 59 CYS HA H 1 5.182 0.018 . 1 7 . 1 59 59 CYS HA . 19711 1 691 . 1 1 59 59 CYS HB2 H 1 2.585 0.01 . 2 8 . 1 59 59 CYS HB2 . 19711 1 692 . 1 1 59 59 CYS HB3 H 1 3.144 0.01 . 2 10 . 1 59 59 CYS HB3 . 19711 1 693 . 1 1 59 59 CYS C C 13 174.698 0 . 1 1 . 1 59 59 CYS C . 19711 1 694 . 1 1 59 59 CYS CA C 13 57.131 0.065 . 1 6 . 1 59 59 CYS CA . 19711 1 695 . 1 1 59 59 CYS CB C 13 27.278 0.113 . 1 9 . 1 59 59 CYS CB . 19711 1 696 . 1 1 59 59 CYS N N 15 123.625 0.042 . 1 24 . 1 59 59 CYS N . 19711 1 697 . 1 1 60 60 LEU H H 1 9.406 0.014 . 1 17 . 1 60 60 LEU H . 19711 1 698 . 1 1 60 60 LEU HA H 1 4.934 0.017 . 1 12 . 1 60 60 LEU HA . 19711 1 699 . 1 1 60 60 LEU HB2 H 1 1.765 0.006 . 2 7 . 1 60 60 LEU HB2 . 19711 1 700 . 1 1 60 60 LEU HB3 H 1 2.181 0.012 . 2 8 . 1 60 60 LEU HB3 . 19711 1 701 . 1 1 60 60 LEU HG H 1 1.532 0.004 . 1 6 . 1 60 60 LEU HG . 19711 1 702 . 1 1 60 60 LEU HD11 H 1 0.5 0.011 . 2 11 . 1 60 60 LEU MD1 . 19711 1 703 . 1 1 60 60 LEU HD12 H 1 0.5 0.011 . 2 11 . 1 60 60 LEU MD1 . 19711 1 704 . 1 1 60 60 LEU HD13 H 1 0.5 0.011 . 2 11 . 1 60 60 LEU MD1 . 19711 1 705 . 1 1 60 60 LEU HD21 H 1 0.524 0.003 . 2 8 . 1 60 60 LEU MD2 . 19711 1 706 . 1 1 60 60 LEU HD22 H 1 0.524 0.003 . 2 8 . 1 60 60 LEU MD2 . 19711 1 707 . 1 1 60 60 LEU HD23 H 1 0.524 0.003 . 2 8 . 1 60 60 LEU MD2 . 19711 1 708 . 1 1 60 60 LEU C C 13 179.87 0 . 1 1 . 1 60 60 LEU C . 19711 1 709 . 1 1 60 60 LEU CA C 13 56.258 0.175 . 1 7 . 1 60 60 LEU CA . 19711 1 710 . 1 1 60 60 LEU CB C 13 42.519 0.084 . 1 11 . 1 60 60 LEU CB . 19711 1 711 . 1 1 60 60 LEU CG C 13 30.343 0.065 . 1 5 . 1 60 60 LEU CG . 19711 1 712 . 1 1 60 60 LEU CD1 C 13 26.712 0.07 . 2 3 . 1 60 60 LEU CD1 . 19711 1 713 . 1 1 60 60 LEU CD2 C 13 24.686 0.052 . 2 2 . 1 60 60 LEU CD2 . 19711 1 714 . 1 1 60 60 LEU N N 15 130.211 0.024 . 1 11 . 1 60 60 LEU N . 19711 1 715 . 1 1 61 61 GLU H H 1 8.692 0.008 . 1 25 . 1 61 61 GLU H . 19711 1 716 . 1 1 61 61 GLU HA H 1 4.099 0.007 . 1 11 . 1 61 61 GLU HA . 19711 1 717 . 1 1 61 61 GLU HB2 H 1 2.232 0.017 . 2 4 . 1 61 61 GLU HB2 . 19711 1 718 . 1 1 61 61 GLU HB3 H 1 2.241 0.014 . 2 9 . 1 61 61 GLU HB3 . 19711 1 719 . 1 1 61 61 GLU HG2 H 1 2.371 0.003 . 2 5 . 1 61 61 GLU HG2 . 19711 1 720 . 1 1 61 61 GLU HG3 H 1 2.515 0.014 . 2 9 . 1 61 61 GLU HG3 . 19711 1 721 . 1 1 61 61 GLU C C 13 175.816 0 . 1 1 . 1 61 61 GLU C . 19711 1 722 . 1 1 61 61 GLU CA C 13 59.461 0.087 . 1 8 . 1 61 61 GLU CA . 19711 1 723 . 1 1 61 61 GLU CB C 13 31.056 0.067 . 1 7 . 1 61 61 GLU CB . 19711 1 724 . 1 1 61 61 GLU CG C 13 37.795 0.043 . 1 7 . 1 61 61 GLU CG . 19711 1 725 . 1 1 61 61 GLU N N 15 118.583 0.048 . 1 23 . 1 61 61 GLU N . 19711 1 726 . 1 1 62 62 ASP H H 1 7.583 0.006 . 1 27 . 1 62 62 ASP H . 19711 1 727 . 1 1 62 62 ASP HA H 1 4.71 0.003 . 1 3 . 1 62 62 ASP HA . 19711 1 728 . 1 1 62 62 ASP HB2 H 1 2.614 0.01 . 2 6 . 1 62 62 ASP HB2 . 19711 1 729 . 1 1 62 62 ASP HB3 H 1 3.154 0.01 . 2 4 . 1 62 62 ASP HB3 . 19711 1 730 . 1 1 62 62 ASP C C 13 177.171 0 . 1 1 . 1 62 62 ASP C . 19711 1 731 . 1 1 62 62 ASP CA C 13 53.365 0.058 . 1 5 . 1 62 62 ASP CA . 19711 1 732 . 1 1 62 62 ASP CB C 13 40.608 0.063 . 1 3 . 1 62 62 ASP CB . 19711 1 733 . 1 1 62 62 ASP N N 15 114.618 0.058 . 1 25 . 1 62 62 ASP N . 19711 1 734 . 1 1 63 63 GLY H H 1 8.163 0.007 . 1 19 . 1 63 63 GLY H . 19711 1 735 . 1 1 63 63 GLY HA2 H 1 3.57 0.01 . 2 6 . 1 63 63 GLY HA2 . 19711 1 736 . 1 1 63 63 GLY HA3 H 1 4.351 0.011 . 2 5 . 1 63 63 GLY HA3 . 19711 1 737 . 1 1 63 63 GLY C C 13 174.71 0 . 1 1 . 1 63 63 GLY C . 19711 1 738 . 1 1 63 63 GLY CA C 13 45.014 0.074 . 1 9 . 1 63 63 GLY CA . 19711 1 739 . 1 1 63 63 GLY N N 15 108.977 0.076 . 1 19 . 1 63 63 GLY N . 19711 1 740 . 1 1 64 64 SER H H 1 8.33 0.018 . 1 17 . 1 64 64 SER H . 19711 1 741 . 1 1 64 64 SER HA H 1 4.372 0.005 . 1 6 . 1 64 64 SER HA . 19711 1 742 . 1 1 64 64 SER HB2 H 1 4.132 0.018 . 2 6 . 1 64 64 SER HB2 . 19711 1 743 . 1 1 64 64 SER HB3 H 1 3.985 0.014 . 2 6 . 1 64 64 SER HB3 . 19711 1 744 . 1 1 64 64 SER C C 13 172.098 0 . 1 1 . 1 64 64 SER C . 19711 1 745 . 1 1 64 64 SER CA C 13 60.279 0.112 . 1 5 . 1 64 64 SER CA . 19711 1 746 . 1 1 64 64 SER CB C 13 63.492 0.129 . 1 5 . 1 64 64 SER CB . 19711 1 747 . 1 1 64 64 SER N N 15 118.418 0.035 . 1 16 . 1 64 64 SER N . 19711 1 748 . 1 1 65 65 LEU H H 1 8.246 0.006 . 1 21 . 1 65 65 LEU H . 19711 1 749 . 1 1 65 65 LEU HA H 1 5.416 0.009 . 1 12 . 1 65 65 LEU HA . 19711 1 750 . 1 1 65 65 LEU HB2 H 1 1.202 0.009 . 2 7 . 1 65 65 LEU HB2 . 19711 1 751 . 1 1 65 65 LEU HB3 H 1 1.736 0.013 . 2 9 . 1 65 65 LEU HB3 . 19711 1 752 . 1 1 65 65 LEU HG H 1 0.814 0.009 . 1 2 . 1 65 65 LEU HG . 19711 1 753 . 1 1 65 65 LEU HD11 H 1 0.81 0.015 . 2 7 . 1 65 65 LEU MD1 . 19711 1 754 . 1 1 65 65 LEU HD12 H 1 0.81 0.015 . 2 7 . 1 65 65 LEU MD1 . 19711 1 755 . 1 1 65 65 LEU HD13 H 1 0.81 0.015 . 2 7 . 1 65 65 LEU MD1 . 19711 1 756 . 1 1 65 65 LEU HD21 H 1 0.843 0.017 . 2 6 . 1 65 65 LEU MD2 . 19711 1 757 . 1 1 65 65 LEU HD22 H 1 0.843 0.017 . 2 6 . 1 65 65 LEU MD2 . 19711 1 758 . 1 1 65 65 LEU HD23 H 1 0.843 0.017 . 2 6 . 1 65 65 LEU MD2 . 19711 1 759 . 1 1 65 65 LEU C C 13 177.291 0 . 1 1 . 1 65 65 LEU C . 19711 1 760 . 1 1 65 65 LEU CA C 13 54.032 0.049 . 1 8 . 1 65 65 LEU CA . 19711 1 761 . 1 1 65 65 LEU CB C 13 45.988 0.079 . 1 11 . 1 65 65 LEU CB . 19711 1 762 . 1 1 65 65 LEU CG C 13 25.541 0.032 . 1 2 . 1 65 65 LEU CG . 19711 1 763 . 1 1 65 65 LEU CD1 C 13 24.565 0.078 . 2 2 . 1 65 65 LEU CD1 . 19711 1 764 . 1 1 65 65 LEU CD2 C 13 23.779 0 . 2 1 . 1 65 65 LEU CD2 . 19711 1 765 . 1 1 65 65 LEU N N 15 119.785 0.077 . 1 22 . 1 65 65 LEU N . 19711 1 766 . 1 1 66 66 ILE H H 1 8.919 0.006 . 1 25 . 1 66 66 ILE H . 19711 1 767 . 1 1 66 66 ILE HA H 1 4.163 0.009 . 1 6 . 1 66 66 ILE HA . 19711 1 768 . 1 1 66 66 ILE HB H 1 1.322 0.011 . 1 11 . 1 66 66 ILE HB . 19711 1 769 . 1 1 66 66 ILE HG12 H 1 1.113 0.012 . 2 5 . 1 66 66 ILE HG12 . 19711 1 770 . 1 1 66 66 ILE HG13 H 1 0.684 0.045 . 2 2 . 1 66 66 ILE HG13 . 19711 1 771 . 1 1 66 66 ILE HG21 H 1 0.629 0.016 . 1 6 . 1 66 66 ILE MG . 19711 1 772 . 1 1 66 66 ILE HG22 H 1 0.629 0.016 . 1 6 . 1 66 66 ILE MG . 19711 1 773 . 1 1 66 66 ILE HG23 H 1 0.629 0.016 . 1 6 . 1 66 66 ILE MG . 19711 1 774 . 1 1 66 66 ILE HD11 H 1 -0.13 0.005 . 1 11 . 1 66 66 ILE MD . 19711 1 775 . 1 1 66 66 ILE HD12 H 1 -0.13 0.005 . 1 11 . 1 66 66 ILE MD . 19711 1 776 . 1 1 66 66 ILE HD13 H 1 -0.13 0.005 . 1 11 . 1 66 66 ILE MD . 19711 1 777 . 1 1 66 66 ILE C C 13 174.51 0 . 1 1 . 1 66 66 ILE C . 19711 1 778 . 1 1 66 66 ILE CA C 13 61.281 0.058 . 1 4 . 1 66 66 ILE CA . 19711 1 779 . 1 1 66 66 ILE CB C 13 42.247 0.077 . 1 8 . 1 66 66 ILE CB . 19711 1 780 . 1 1 66 66 ILE CG1 C 13 27.102 0.151 . 1 3 . 1 66 66 ILE CG1 . 19711 1 781 . 1 1 66 66 ILE CG2 C 13 17.884 0.085 . 1 4 . 1 66 66 ILE CG2 . 19711 1 782 . 1 1 66 66 ILE CD1 C 13 13.118 0.084 . 1 6 . 1 66 66 ILE CD1 . 19711 1 783 . 1 1 66 66 ILE N N 15 122.97 0.057 . 1 24 . 1 66 66 ILE N . 19711 1 784 . 1 1 67 67 ARG H H 1 9.524 0.005 . 1 14 . 1 67 67 ARG H . 19711 1 785 . 1 1 67 67 ARG HA H 1 5.728 0.012 . 1 13 . 1 67 67 ARG HA . 19711 1 786 . 1 1 67 67 ARG HB2 H 1 2.141 0.006 . 2 5 . 1 67 67 ARG HB2 . 19711 1 787 . 1 1 67 67 ARG HB3 H 1 1.405 0.009 . 2 4 . 1 67 67 ARG HB3 . 19711 1 788 . 1 1 67 67 ARG HG2 H 1 1.602 0.002 . 2 3 . 1 67 67 ARG HG2 . 19711 1 789 . 1 1 67 67 ARG HG3 H 1 1.361 0 . 2 1 . 1 67 67 ARG HG3 . 19711 1 790 . 1 1 67 67 ARG HD2 H 1 2.997 0.007 . 2 5 . 1 67 67 ARG HD2 . 19711 1 791 . 1 1 67 67 ARG HD3 H 1 3.351 0.005 . 2 8 . 1 67 67 ARG HD3 . 19711 1 792 . 1 1 67 67 ARG C C 13 173.954 0 . 1 1 . 1 67 67 ARG C . 19711 1 793 . 1 1 67 67 ARG CA C 13 55.208 0.07 . 1 8 . 1 67 67 ARG CA . 19711 1 794 . 1 1 67 67 ARG CB C 13 29.93 0.024 . 1 7 . 1 67 67 ARG CB . 19711 1 795 . 1 1 67 67 ARG CG C 13 28.837 0.039 . 1 4 . 1 67 67 ARG CG . 19711 1 796 . 1 1 67 67 ARG CD C 13 43.785 0.068 . 1 7 . 1 67 67 ARG CD . 19711 1 797 . 1 1 67 67 ARG N N 15 129.427 0.063 . 1 14 . 1 67 67 ARG N . 19711 1 798 . 1 1 68 68 ALA H H 1 8.999 0.008 . 1 13 . 1 68 68 ALA H . 19711 1 799 . 1 1 68 68 ALA HA H 1 5.274 0.012 . 1 6 . 1 68 68 ALA HA . 19711 1 800 . 1 1 68 68 ALA HB1 H 1 1.748 0.015 . 1 3 . 1 68 68 ALA MB . 19711 1 801 . 1 1 68 68 ALA HB2 H 1 1.748 0.015 . 1 3 . 1 68 68 ALA MB . 19711 1 802 . 1 1 68 68 ALA HB3 H 1 1.748 0.015 . 1 3 . 1 68 68 ALA MB . 19711 1 803 . 1 1 68 68 ALA C C 13 177.09 0 . 1 1 . 1 68 68 ALA C . 19711 1 804 . 1 1 68 68 ALA CA C 13 50.545 0.065 . 1 6 . 1 68 68 ALA CA . 19711 1 805 . 1 1 68 68 ALA CB C 13 24.643 0.085 . 1 5 . 1 68 68 ALA CB . 19711 1 806 . 1 1 68 68 ALA N N 15 124.658 0.051 . 1 12 . 1 68 68 ALA N . 19711 1 807 . 1 1 69 69 THR H H 1 8.485 0.006 . 1 19 . 1 69 69 THR H . 19711 1 808 . 1 1 69 69 THR HA H 1 5.178 0.013 . 1 9 . 1 69 69 THR HA . 19711 1 809 . 1 1 69 69 THR HB H 1 4.988 0.013 . 1 9 . 1 69 69 THR HB . 19711 1 810 . 1 1 69 69 THR HG21 H 1 1.455 0.01 . 1 9 . 1 69 69 THR MG . 19711 1 811 . 1 1 69 69 THR HG22 H 1 1.455 0.01 . 1 9 . 1 69 69 THR MG . 19711 1 812 . 1 1 69 69 THR HG23 H 1 1.455 0.01 . 1 9 . 1 69 69 THR MG . 19711 1 813 . 1 1 69 69 THR C C 13 176.149 0 . 1 1 . 1 69 69 THR C . 19711 1 814 . 1 1 69 69 THR CA C 13 62.135 0.104 . 1 5 . 1 69 69 THR CA . 19711 1 815 . 1 1 69 69 THR CB C 13 69.916 0.189 . 1 6 . 1 69 69 THR CB . 19711 1 816 . 1 1 69 69 THR CG2 C 13 22.727 0.048 . 1 4 . 1 69 69 THR CG2 . 19711 1 817 . 1 1 69 69 THR N N 15 110.212 0.038 . 1 19 . 1 69 69 THR N . 19711 1 818 . 1 1 70 70 LYS H H 1 9.041 0.009 . 1 22 . 1 70 70 LYS H . 19711 1 819 . 1 1 70 70 LYS HA H 1 4.377 0.027 . 1 10 . 1 70 70 LYS HA . 19711 1 820 . 1 1 70 70 LYS HB2 H 1 1.53 0.02 . 2 4 . 1 70 70 LYS HB2 . 19711 1 821 . 1 1 70 70 LYS HB3 H 1 1.712 0.018 . 2 5 . 1 70 70 LYS HB3 . 19711 1 822 . 1 1 70 70 LYS HG2 H 1 1.317 0.009 . 2 3 . 1 70 70 LYS HG2 . 19711 1 823 . 1 1 70 70 LYS HG3 H 1 1.333 0.033 . 2 7 . 1 70 70 LYS HG3 . 19711 1 824 . 1 1 70 70 LYS HD2 H 1 2.104 0.022 . 2 3 . 1 70 70 LYS HD2 . 19711 1 825 . 1 1 70 70 LYS HD3 H 1 2.002 0.027 . 2 2 . 1 70 70 LYS HD3 . 19711 1 826 . 1 1 70 70 LYS HE2 H 1 2.633 0.016 . 2 6 . 1 70 70 LYS HE2 . 19711 1 827 . 1 1 70 70 LYS HE3 H 1 2.461 0.013 . 2 4 . 1 70 70 LYS HE3 . 19711 1 828 . 1 1 70 70 LYS C C 13 176.298 0 . 1 1 . 1 70 70 LYS C . 19711 1 829 . 1 1 70 70 LYS CA C 13 59.119 0.104 . 1 5 . 1 70 70 LYS CA . 19711 1 830 . 1 1 70 70 LYS CB C 13 33.269 0.042 . 1 5 . 1 70 70 LYS CB . 19711 1 831 . 1 1 70 70 LYS CG C 13 24.336 0.027 . 1 3 . 1 70 70 LYS CG . 19711 1 832 . 1 1 70 70 LYS CD C 13 29.677 0.046 . 1 5 . 1 70 70 LYS CD . 19711 1 833 . 1 1 70 70 LYS CE C 13 41.43 0.126 . 1 6 . 1 70 70 LYS CE . 19711 1 834 . 1 1 70 70 LYS N N 15 119.012 0.045 . 1 20 . 1 70 70 LYS N . 19711 1 835 . 1 1 71 71 ASP H H 1 8.682 0.007 . 1 26 . 1 71 71 ASP H . 19711 1 836 . 1 1 71 71 ASP HA H 1 4.569 0.007 . 1 7 . 1 71 71 ASP HA . 19711 1 837 . 1 1 71 71 ASP HB2 H 1 2.626 0.027 . 2 5 . 1 71 71 ASP HB2 . 19711 1 838 . 1 1 71 71 ASP HB3 H 1 2.907 0.016 . 2 4 . 1 71 71 ASP HB3 . 19711 1 839 . 1 1 71 71 ASP C C 13 176.287 0 . 1 1 . 1 71 71 ASP C . 19711 1 840 . 1 1 71 71 ASP CA C 13 52.801 0.098 . 1 6 . 1 71 71 ASP CA . 19711 1 841 . 1 1 71 71 ASP CB C 13 41.135 0.063 . 1 5 . 1 71 71 ASP CB . 19711 1 842 . 1 1 71 71 ASP N N 15 112.61 0.047 . 1 25 . 1 71 71 ASP N . 19711 1 843 . 1 1 72 72 HIS H H 1 7.993 0.006 . 1 17 . 1 72 72 HIS H . 19711 1 844 . 1 1 72 72 HIS HA H 1 3.828 0.008 . 1 7 . 1 72 72 HIS HA . 19711 1 845 . 1 1 72 72 HIS HB2 H 1 3.299 0 . 2 1 . 1 72 72 HIS HB2 . 19711 1 846 . 1 1 72 72 HIS HB3 H 1 3.296 0.012 . 2 11 . 1 72 72 HIS HB3 . 19711 1 847 . 1 1 72 72 HIS HD1 H 1 6.881 0 . 1 1 . 1 72 72 HIS HD1 . 19711 1 848 . 1 1 72 72 HIS C C 13 176.272 0 . 1 1 . 1 72 72 HIS C . 19711 1 849 . 1 1 72 72 HIS CA C 13 59.681 0.023 . 1 7 . 1 72 72 HIS CA . 19711 1 850 . 1 1 72 72 HIS CB C 13 32.116 0.163 . 1 7 . 1 72 72 HIS CB . 19711 1 851 . 1 1 72 72 HIS N N 15 124.067 0.044 . 1 18 . 1 72 72 HIS N . 19711 1 852 . 1 1 73 73 LYS H H 1 8.044 0.007 . 1 10 . 1 73 73 LYS H . 19711 1 853 . 1 1 73 73 LYS HA H 1 4.849 0.019 . 1 11 . 1 73 73 LYS HA . 19711 1 854 . 1 1 73 73 LYS HB2 H 1 1.159 0.016 . 2 3 . 1 73 73 LYS HB2 . 19711 1 855 . 1 1 73 73 LYS HB3 H 1 1.682 0.033 . 2 3 . 1 73 73 LYS HB3 . 19711 1 856 . 1 1 73 73 LYS HG2 H 1 1.624 0.008 . 2 7 . 1 73 73 LYS HG2 . 19711 1 857 . 1 1 73 73 LYS HG3 H 1 1.142 0.026 . 2 3 . 1 73 73 LYS HG3 . 19711 1 858 . 1 1 73 73 LYS HD2 H 1 1.547 0 . 2 1 . 1 73 73 LYS HD2 . 19711 1 859 . 1 1 73 73 LYS HD3 H 1 1.547 0 . 2 1 . 1 73 73 LYS HD3 . 19711 1 860 . 1 1 73 73 LYS HE2 H 1 2.981 0 . 2 1 . 1 73 73 LYS HE2 . 19711 1 861 . 1 1 73 73 LYS HE3 H 1 2.981 0 . 2 1 . 1 73 73 LYS HE3 . 19711 1 862 . 1 1 73 73 LYS C C 13 175.075 0 . 1 1 . 1 73 73 LYS C . 19711 1 863 . 1 1 73 73 LYS CA C 13 56.895 0.076 . 1 8 . 1 73 73 LYS CA . 19711 1 864 . 1 1 73 73 LYS CB C 13 33.6 0.063 . 1 5 . 1 73 73 LYS CB . 19711 1 865 . 1 1 73 73 LYS CG C 13 25.848 0.082 . 1 6 . 1 73 73 LYS CG . 19711 1 866 . 1 1 73 73 LYS CD C 13 29.244 0 . 1 1 . 1 73 73 LYS CD . 19711 1 867 . 1 1 73 73 LYS N N 15 128.861 0.073 . 1 10 . 1 73 73 LYS N . 19711 1 868 . 1 1 74 74 PHE H H 1 8.915 0.011 . 1 25 . 1 74 74 PHE H . 19711 1 869 . 1 1 74 74 PHE HA H 1 5.216 0.009 . 1 4 . 1 74 74 PHE HA . 19711 1 870 . 1 1 74 74 PHE HB2 H 1 2.902 0.012 . 2 2 . 1 74 74 PHE HB2 . 19711 1 871 . 1 1 74 74 PHE HB3 H 1 2.587 0.008 . 2 3 . 1 74 74 PHE HB3 . 19711 1 872 . 1 1 74 74 PHE HD1 H 1 7.291 0.004 . 3 2 . 1 74 74 PHE HD1 . 19711 1 873 . 1 1 74 74 PHE HE1 H 1 6.982 0 . 3 1 . 1 74 74 PHE HE1 . 19711 1 874 . 1 1 74 74 PHE C C 13 174.639 0 . 1 1 . 1 74 74 PHE C . 19711 1 875 . 1 1 74 74 PHE CA C 13 56.01 0.112 . 1 5 . 1 74 74 PHE CA . 19711 1 876 . 1 1 74 74 PHE CB C 13 45.557 0.06 . 1 5 . 1 74 74 PHE CB . 19711 1 877 . 1 1 74 74 PHE N N 15 121.078 0.091 . 1 24 . 1 74 74 PHE N . 19711 1 878 . 1 1 75 75 MET H H 1 8.364 0.005 . 1 20 . 1 75 75 MET H . 19711 1 879 . 1 1 75 75 MET HA H 1 5.333 0.01 . 1 13 . 1 75 75 MET HA . 19711 1 880 . 1 1 75 75 MET HB2 H 1 1.832 0.01 . 2 10 . 1 75 75 MET HB2 . 19711 1 881 . 1 1 75 75 MET HB3 H 1 2.107 0.019 . 2 7 . 1 75 75 MET HB3 . 19711 1 882 . 1 1 75 75 MET HG2 H 1 2.314 0.011 . 2 10 . 1 75 75 MET HG2 . 19711 1 883 . 1 1 75 75 MET HG3 H 1 3.095 0.01 . 2 15 . 1 75 75 MET HG3 . 19711 1 884 . 1 1 75 75 MET C C 13 178.533 0 . 1 1 . 1 75 75 MET C . 19711 1 885 . 1 1 75 75 MET CA C 13 55.509 0.034 . 1 8 . 1 75 75 MET CA . 19711 1 886 . 1 1 75 75 MET CB C 13 35.995 0.058 . 1 8 . 1 75 75 MET CB . 19711 1 887 . 1 1 75 75 MET CG C 13 32.292 0.067 . 1 8 . 1 75 75 MET CG . 19711 1 888 . 1 1 75 75 MET N N 15 118.732 0.041 . 1 20 . 1 75 75 MET N . 19711 1 889 . 1 1 76 76 THR H H 1 9.42 0.009 . 1 33 . 1 76 76 THR H . 19711 1 890 . 1 1 76 76 THR HA H 1 5.102 0.011 . 1 9 . 1 76 76 THR HA . 19711 1 891 . 1 1 76 76 THR HB H 1 4.818 0.016 . 1 9 . 1 76 76 THR HB . 19711 1 892 . 1 1 76 76 THR HG21 H 1 1.232 0.01 . 1 10 . 1 76 76 THR MG . 19711 1 893 . 1 1 76 76 THR HG22 H 1 1.232 0.01 . 1 10 . 1 76 76 THR MG . 19711 1 894 . 1 1 76 76 THR HG23 H 1 1.232 0.01 . 1 10 . 1 76 76 THR MG . 19711 1 895 . 1 1 76 76 THR C C 13 178.199 0 . 1 1 . 1 76 76 THR C . 19711 1 896 . 1 1 76 76 THR CA C 13 61.466 0.05 . 1 6 . 1 76 76 THR CA . 19711 1 897 . 1 1 76 76 THR CB C 13 71.288 0.058 . 1 6 . 1 76 76 THR CB . 19711 1 898 . 1 1 76 76 THR CG2 C 13 23.125 0.076 . 1 4 . 1 76 76 THR CG2 . 19711 1 899 . 1 1 76 76 THR N N 15 118.771 0.045 . 1 28 . 1 76 76 THR N . 19711 1 900 . 1 1 77 77 VAL H H 1 8.209 0.006 . 1 19 . 1 77 77 VAL H . 19711 1 901 . 1 1 77 77 VAL HA H 1 3.822 0.007 . 1 6 . 1 77 77 VAL HA . 19711 1 902 . 1 1 77 77 VAL HB H 1 2.03 0.013 . 1 7 . 1 77 77 VAL HB . 19711 1 903 . 1 1 77 77 VAL HG11 H 1 1.038 0.012 . 2 4 . 1 77 77 VAL MG1 . 19711 1 904 . 1 1 77 77 VAL HG12 H 1 1.038 0.012 . 2 4 . 1 77 77 VAL MG1 . 19711 1 905 . 1 1 77 77 VAL HG13 H 1 1.038 0.012 . 2 4 . 1 77 77 VAL MG1 . 19711 1 906 . 1 1 77 77 VAL HG21 H 1 1.058 0.017 . 2 5 . 1 77 77 VAL MG2 . 19711 1 907 . 1 1 77 77 VAL HG22 H 1 1.058 0.017 . 2 5 . 1 77 77 VAL MG2 . 19711 1 908 . 1 1 77 77 VAL HG23 H 1 1.058 0.017 . 2 5 . 1 77 77 VAL MG2 . 19711 1 909 . 1 1 77 77 VAL C C 13 175.137 0 . 1 1 . 1 77 77 VAL C . 19711 1 910 . 1 1 77 77 VAL CA C 13 65.324 0.122 . 1 5 . 1 77 77 VAL CA . 19711 1 911 . 1 1 77 77 VAL CB C 13 32.027 0.067 . 1 5 . 1 77 77 VAL CB . 19711 1 912 . 1 1 77 77 VAL CG1 C 13 21.368 0.036 . 2 3 . 1 77 77 VAL CG1 . 19711 1 913 . 1 1 77 77 VAL N N 15 118.362 0.112 . 1 19 . 1 77 77 VAL N . 19711 1 914 . 1 1 78 78 ASP H H 1 8.008 0.006 . 1 22 . 1 78 78 ASP H . 19711 1 915 . 1 1 78 78 ASP HA H 1 4.678 0.011 . 1 5 . 1 78 78 ASP HA . 19711 1 916 . 1 1 78 78 ASP HB2 H 1 2.729 0.028 . 2 7 . 1 78 78 ASP HB2 . 19711 1 917 . 1 1 78 78 ASP HB3 H 1 2.904 0.011 . 2 4 . 1 78 78 ASP HB3 . 19711 1 918 . 1 1 78 78 ASP C C 13 176.622 0 . 1 1 . 1 78 78 ASP C . 19711 1 919 . 1 1 78 78 ASP CA C 13 53.372 0.077 . 1 5 . 1 78 78 ASP CA . 19711 1 920 . 1 1 78 78 ASP CB C 13 40.175 0.106 . 1 6 . 1 78 78 ASP CB . 19711 1 921 . 1 1 78 78 ASP N N 15 116.631 0.113 . 1 21 . 1 78 78 ASP N . 19711 1 922 . 1 1 79 79 GLY H H 1 8.306 0.007 . 1 19 . 1 79 79 GLY H . 19711 1 923 . 1 1 79 79 GLY HA2 H 1 3.743 0.016 . 2 6 . 1 79 79 GLY HA2 . 19711 1 924 . 1 1 79 79 GLY HA3 H 1 4.202 0.012 . 2 5 . 1 79 79 GLY HA3 . 19711 1 925 . 1 1 79 79 GLY C C 13 174.37 0 . 1 1 . 1 79 79 GLY C . 19711 1 926 . 1 1 79 79 GLY CA C 13 45.764 0.123 . 1 9 . 1 79 79 GLY CA . 19711 1 927 . 1 1 79 79 GLY N N 15 108.18 0.106 . 1 18 . 1 79 79 GLY N . 19711 1 928 . 1 1 80 80 GLN H H 1 7.329 0.006 . 1 18 . 1 80 80 GLN H . 19711 1 929 . 1 1 80 80 GLN HA H 1 4.381 0.014 . 1 11 . 1 80 80 GLN HA . 19711 1 930 . 1 1 80 80 GLN HB2 H 1 2.084 0.022 . 2 5 . 1 80 80 GLN HB2 . 19711 1 931 . 1 1 80 80 GLN HB3 H 1 1.946 0.019 . 2 7 . 1 80 80 GLN HB3 . 19711 1 932 . 1 1 80 80 GLN HG2 H 1 2.265 0.005 . 2 10 . 1 80 80 GLN HG2 . 19711 1 933 . 1 1 80 80 GLN HG3 H 1 2.083 0.022 . 2 7 . 1 80 80 GLN HG3 . 19711 1 934 . 1 1 80 80 GLN HE21 H 1 6.433 0.003 . 2 6 . 1 80 80 GLN HE21 . 19711 1 935 . 1 1 80 80 GLN HE22 H 1 7.148 0.002 . 2 2 . 1 80 80 GLN HE22 . 19711 1 936 . 1 1 80 80 GLN C C 13 174.295 0 . 1 1 . 1 80 80 GLN C . 19711 1 937 . 1 1 80 80 GLN CA C 13 55.275 0.097 . 1 6 . 1 80 80 GLN CA . 19711 1 938 . 1 1 80 80 GLN CB C 13 30.763 0.074 . 1 6 . 1 80 80 GLN CB . 19711 1 939 . 1 1 80 80 GLN CG C 13 34.627 0.05 . 1 10 . 1 80 80 GLN CG . 19711 1 940 . 1 1 80 80 GLN CD C 13 180.041 0.021 . 1 2 . 1 80 80 GLN CD . 19711 1 941 . 1 1 80 80 GLN N N 15 118.133 0.033 . 1 17 . 1 80 80 GLN N . 19711 1 942 . 1 1 80 80 GLN NE2 N 15 108.65 0.182 . 1 8 . 1 80 80 GLN NE2 . 19711 1 943 . 1 1 81 81 MET H H 1 8.447 0.004 . 1 18 . 1 81 81 MET H . 19711 1 944 . 1 1 81 81 MET HA H 1 5.158 0.017 . 1 5 . 1 81 81 MET HA . 19711 1 945 . 1 1 81 81 MET HB2 H 1 1.594 0.006 . 2 6 . 1 81 81 MET HB2 . 19711 1 946 . 1 1 81 81 MET HB3 H 1 2.151 0.014 . 2 7 . 1 81 81 MET HB3 . 19711 1 947 . 1 1 81 81 MET HG2 H 1 2.602 0.011 . 2 5 . 1 81 81 MET HG2 . 19711 1 948 . 1 1 81 81 MET C C 13 175.321 0 . 1 1 . 1 81 81 MET C . 19711 1 949 . 1 1 81 81 MET CA C 13 53.063 0.097 . 1 5 . 1 81 81 MET CA . 19711 1 950 . 1 1 81 81 MET CB C 13 32.263 0.106 . 1 9 . 1 81 81 MET CB . 19711 1 951 . 1 1 81 81 MET CG C 13 31.564 0.17 . 1 2 . 1 81 81 MET CG . 19711 1 952 . 1 1 81 81 MET N N 15 119.745 0.034 . 1 18 . 1 81 81 MET N . 19711 1 953 . 1 1 82 82 LEU H H 1 8.646 0.005 . 1 12 . 1 82 82 LEU H . 19711 1 954 . 1 1 82 82 LEU HA H 1 5.147 0.001 . 1 2 . 1 82 82 LEU HA . 19711 1 955 . 1 1 82 82 LEU HB2 H 1 2.211 0.002 . 2 2 . 1 82 82 LEU HB2 . 19711 1 956 . 1 1 82 82 LEU HB3 H 1 2.013 0 . 2 2 . 1 82 82 LEU HB3 . 19711 1 957 . 1 1 82 82 LEU HD11 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD1 . 19711 1 958 . 1 1 82 82 LEU HD12 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD1 . 19711 1 959 . 1 1 82 82 LEU HD13 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD1 . 19711 1 960 . 1 1 82 82 LEU HD21 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD2 . 19711 1 961 . 1 1 82 82 LEU HD22 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD2 . 19711 1 962 . 1 1 82 82 LEU HD23 H 1 1.196 0.001 . 2 2 . 1 82 82 LEU MD2 . 19711 1 963 . 1 1 82 82 LEU CA C 13 51.464 0 . 1 1 . 1 82 82 LEU CA . 19711 1 964 . 1 1 82 82 LEU CB C 13 45.515 0.112 . 1 5 . 1 82 82 LEU CB . 19711 1 965 . 1 1 82 82 LEU N N 15 124.764 0.048 . 1 10 . 1 82 82 LEU N . 19711 1 966 . 1 1 83 83 PRO HA H 1 4.579 0 . 1 1 . 1 83 83 PRO HA . 19711 1 967 . 1 1 83 83 PRO HB3 H 1 1.829 0 . 2 1 . 1 83 83 PRO HB3 . 19711 1 968 . 1 1 83 83 PRO C C 13 178.539 0 . 1 1 . 1 83 83 PRO C . 19711 1 969 . 1 1 83 83 PRO CA C 13 62.861 0.131 . 1 2 . 1 83 83 PRO CA . 19711 1 970 . 1 1 83 83 PRO CB C 13 32.413 0.114 . 1 2 . 1 83 83 PRO CB . 19711 1 971 . 1 1 83 83 PRO CG C 13 27.982 0 . 1 1 . 1 83 83 PRO CG . 19711 1 972 . 1 1 83 83 PRO CD C 13 50.837 0 . 1 1 . 1 83 83 PRO CD . 19711 1 973 . 1 1 84 84 ILE H H 1 9.548 0.014 . 1 16 . 1 84 84 ILE H . 19711 1 974 . 1 1 84 84 ILE HA H 1 3.878 0.013 . 1 10 . 1 84 84 ILE HA . 19711 1 975 . 1 1 84 84 ILE HB H 1 2.015 0.011 . 1 7 . 1 84 84 ILE HB . 19711 1 976 . 1 1 84 84 ILE HG12 H 1 0.432 0.003 . 2 6 . 1 84 84 ILE HG12 . 19711 1 977 . 1 1 84 84 ILE HG13 H 1 -0.287 0.015 . 2 9 . 1 84 84 ILE HG13 . 19711 1 978 . 1 1 84 84 ILE HG21 H 1 0.996 0.01 . 1 11 . 1 84 84 ILE MG . 19711 1 979 . 1 1 84 84 ILE HG22 H 1 0.996 0.01 . 1 11 . 1 84 84 ILE MG . 19711 1 980 . 1 1 84 84 ILE HG23 H 1 0.996 0.01 . 1 11 . 1 84 84 ILE MG . 19711 1 981 . 1 1 84 84 ILE HD11 H 1 -0.108 0.005 . 1 5 . 1 84 84 ILE MD . 19711 1 982 . 1 1 84 84 ILE HD12 H 1 -0.108 0.005 . 1 5 . 1 84 84 ILE MD . 19711 1 983 . 1 1 84 84 ILE HD13 H 1 -0.108 0.005 . 1 5 . 1 84 84 ILE MD . 19711 1 984 . 1 1 84 84 ILE C C 13 175.811 0 . 1 1 . 1 84 84 ILE C . 19711 1 985 . 1 1 84 84 ILE CA C 13 63.999 0.028 . 1 5 . 1 84 84 ILE CA . 19711 1 986 . 1 1 84 84 ILE CB C 13 37.5 0.047 . 1 4 . 1 84 84 ILE CB . 19711 1 987 . 1 1 84 84 ILE CG1 C 13 28.445 0.081 . 1 11 . 1 84 84 ILE CG1 . 19711 1 988 . 1 1 84 84 ILE CG2 C 13 17.114 0.061 . 1 5 . 1 84 84 ILE CG2 . 19711 1 989 . 1 1 84 84 ILE CD1 C 13 14.55 0 . 1 1 . 1 84 84 ILE CD1 . 19711 1 990 . 1 1 84 84 ILE N N 15 127.688 0.154 . 1 11 . 1 84 84 ILE N . 19711 1 991 . 1 1 85 85 ASP H H 1 7.679 0.005 . 1 25 . 1 85 85 ASP H . 19711 1 992 . 1 1 85 85 ASP HA H 1 4.707 0.012 . 1 5 . 1 85 85 ASP HA . 19711 1 993 . 1 1 85 85 ASP HB2 H 1 2.44 0.015 . 2 6 . 1 85 85 ASP HB2 . 19711 1 994 . 1 1 85 85 ASP HB3 H 1 3.012 0.039 . 2 8 . 1 85 85 ASP HB3 . 19711 1 995 . 1 1 85 85 ASP C C 13 178.412 0 . 1 1 . 1 85 85 ASP C . 19711 1 996 . 1 1 85 85 ASP CA C 13 58.511 0.047 . 1 5 . 1 85 85 ASP CA . 19711 1 997 . 1 1 85 85 ASP CB C 13 42.422 0.103 . 1 6 . 1 85 85 ASP CB . 19711 1 998 . 1 1 85 85 ASP N N 15 119.766 0.036 . 1 25 . 1 85 85 ASP N . 19711 1 999 . 1 1 86 86 GLU H H 1 7.223 0.007 . 1 19 . 1 86 86 GLU H . 19711 1 1000 . 1 1 86 86 GLU HA H 1 4.555 0 . 1 1 . 1 86 86 GLU HA . 19711 1 1001 . 1 1 86 86 GLU C C 13 178.239 0 . 1 1 . 1 86 86 GLU C . 19711 1 1002 . 1 1 86 86 GLU CA C 13 58.935 0.013 . 1 3 . 1 86 86 GLU CA . 19711 1 1003 . 1 1 86 86 GLU CB C 13 29.499 0.006 . 1 3 . 1 86 86 GLU CB . 19711 1 1004 . 1 1 86 86 GLU CG C 13 36.5 0 . 1 1 . 1 86 86 GLU CG . 19711 1 1005 . 1 1 86 86 GLU N N 15 117.254 0.033 . 1 17 . 1 86 86 GLU N . 19711 1 1006 . 1 1 87 87 ILE H H 1 7.805 0.013 . 1 18 . 1 87 87 ILE H . 19711 1 1007 . 1 1 87 87 ILE HA H 1 3.366 0.015 . 1 7 . 1 87 87 ILE HA . 19711 1 1008 . 1 1 87 87 ILE HB H 1 1.98 0.013 . 1 6 . 1 87 87 ILE HB . 19711 1 1009 . 1 1 87 87 ILE HG12 H 1 0.585 0.003 . 2 2 . 1 87 87 ILE HG12 . 19711 1 1010 . 1 1 87 87 ILE HG13 H 1 1.706 0.01 . 2 4 . 1 87 87 ILE HG13 . 19711 1 1011 . 1 1 87 87 ILE HG21 H 1 0.819 0.013 . 1 6 . 1 87 87 ILE MG . 19711 1 1012 . 1 1 87 87 ILE HG22 H 1 0.819 0.013 . 1 6 . 1 87 87 ILE MG . 19711 1 1013 . 1 1 87 87 ILE HG23 H 1 0.819 0.013 . 1 6 . 1 87 87 ILE MG . 19711 1 1014 . 1 1 87 87 ILE HD11 H 1 0.852 0.009 . 1 5 . 1 87 87 ILE MD . 19711 1 1015 . 1 1 87 87 ILE HD12 H 1 0.852 0.009 . 1 5 . 1 87 87 ILE MD . 19711 1 1016 . 1 1 87 87 ILE HD13 H 1 0.852 0.009 . 1 5 . 1 87 87 ILE MD . 19711 1 1017 . 1 1 87 87 ILE C C 13 178.359 0 . 1 1 . 1 87 87 ILE C . 19711 1 1018 . 1 1 87 87 ILE CA C 13 66.325 0.174 . 1 7 . 1 87 87 ILE CA . 19711 1 1019 . 1 1 87 87 ILE CB C 13 38.043 0.02 . 1 4 . 1 87 87 ILE CB . 19711 1 1020 . 1 1 87 87 ILE CG1 C 13 30.063 0.074 . 1 2 . 1 87 87 ILE CG1 . 19711 1 1021 . 1 1 87 87 ILE CG2 C 13 17.316 0 . 1 1 . 1 87 87 ILE CG2 . 19711 1 1022 . 1 1 87 87 ILE CD1 C 13 14.999 0.035 . 1 2 . 1 87 87 ILE CD1 . 19711 1 1023 . 1 1 87 87 ILE N N 15 121.083 0.052 . 1 17 . 1 87 87 ILE N . 19711 1 1024 . 1 1 88 88 PHE H H 1 8.218 0.005 . 1 26 . 1 88 88 PHE H . 19711 1 1025 . 1 1 88 88 PHE HA H 1 4.531 0.013 . 1 6 . 1 88 88 PHE HA . 19711 1 1026 . 1 1 88 88 PHE HB2 H 1 3.279 0.01 . 2 5 . 1 88 88 PHE HB2 . 19711 1 1027 . 1 1 88 88 PHE HB3 H 1 3.397 0.021 . 2 5 . 1 88 88 PHE HB3 . 19711 1 1028 . 1 1 88 88 PHE HD1 H 1 7.13 0.014 . 3 2 . 1 88 88 PHE HD1 . 19711 1 1029 . 1 1 88 88 PHE HE1 H 1 6.802 0 . 3 1 . 1 88 88 PHE HE1 . 19711 1 1030 . 1 1 88 88 PHE C C 13 178.716 0 . 1 1 . 1 88 88 PHE C . 19711 1 1031 . 1 1 88 88 PHE CA C 13 59.887 0.045 . 1 4 . 1 88 88 PHE CA . 19711 1 1032 . 1 1 88 88 PHE CB C 13 38.752 0.06 . 1 7 . 1 88 88 PHE CB . 19711 1 1033 . 1 1 88 88 PHE N N 15 116.786 0.064 . 1 25 . 1 88 88 PHE N . 19711 1 1034 . 1 1 89 89 GLU H H 1 8.706 0.008 . 1 17 . 1 89 89 GLU H . 19711 1 1035 . 1 1 89 89 GLU HA H 1 3.51 0.008 . 1 12 . 1 89 89 GLU HA . 19711 1 1036 . 1 1 89 89 GLU HB2 H 1 2.135 0.002 . 2 2 . 1 89 89 GLU HB2 . 19711 1 1037 . 1 1 89 89 GLU HB3 H 1 2.036 0.008 . 2 3 . 1 89 89 GLU HB3 . 19711 1 1038 . 1 1 89 89 GLU HG2 H 1 2.607 0.004 . 2 3 . 1 89 89 GLU HG2 . 19711 1 1039 . 1 1 89 89 GLU HG3 H 1 2.275 0.04 . 2 4 . 1 89 89 GLU HG3 . 19711 1 1040 . 1 1 89 89 GLU C C 13 178.609 0 . 1 1 . 1 89 89 GLU C . 19711 1 1041 . 1 1 89 89 GLU CA C 13 59.807 0.093 . 1 9 . 1 89 89 GLU CA . 19711 1 1042 . 1 1 89 89 GLU CB C 13 29.748 0.06 . 1 5 . 1 89 89 GLU CB . 19711 1 1043 . 1 1 89 89 GLU CG C 13 36.525 0.068 . 1 3 . 1 89 89 GLU CG . 19711 1 1044 . 1 1 89 89 GLU N N 15 121.535 0.029 . 1 13 . 1 89 89 GLU N . 19711 1 1045 . 1 1 90 90 ARG H H 1 8.411 0.005 . 1 22 . 1 90 90 ARG H . 19711 1 1046 . 1 1 90 90 ARG HA H 1 4.237 0.01 . 1 11 . 1 90 90 ARG HA . 19711 1 1047 . 1 1 90 90 ARG HB2 H 1 2.09 0.011 . 2 7 . 1 90 90 ARG HB2 . 19711 1 1048 . 1 1 90 90 ARG HB3 H 1 1.622 0.021 . 2 6 . 1 90 90 ARG HB3 . 19711 1 1049 . 1 1 90 90 ARG HG2 H 1 1.619 0.003 . 2 2 . 1 90 90 ARG HG2 . 19711 1 1050 . 1 1 90 90 ARG HG3 H 1 1.916 0.019 . 2 3 . 1 90 90 ARG HG3 . 19711 1 1051 . 1 1 90 90 ARG HD2 H 1 3.296 0.003 . 2 4 . 1 90 90 ARG HD2 . 19711 1 1052 . 1 1 90 90 ARG HD3 H 1 3.084 0.007 . 2 5 . 1 90 90 ARG HD3 . 19711 1 1053 . 1 1 90 90 ARG C C 13 174.536 0 . 1 1 . 1 90 90 ARG C . 19711 1 1054 . 1 1 90 90 ARG CA C 13 56.359 0.074 . 1 6 . 1 90 90 ARG CA . 19711 1 1055 . 1 1 90 90 ARG CB C 13 30.488 0.078 . 1 5 . 1 90 90 ARG CB . 19711 1 1056 . 1 1 90 90 ARG CG C 13 27.65 0.032 . 1 3 . 1 90 90 ARG CG . 19711 1 1057 . 1 1 90 90 ARG CD C 13 44.568 0.063 . 1 7 . 1 90 90 ARG CD . 19711 1 1058 . 1 1 90 90 ARG N N 15 114.507 0.064 . 1 21 . 1 90 90 ARG N . 19711 1 1059 . 1 1 91 91 GLU H H 1 7.543 0.005 . 1 23 . 1 91 91 GLU H . 19711 1 1060 . 1 1 91 91 GLU HA H 1 4.232 0.012 . 1 9 . 1 91 91 GLU HA . 19711 1 1061 . 1 1 91 91 GLU HB2 H 1 2.033 0.003 . 2 3 . 1 91 91 GLU HB2 . 19711 1 1062 . 1 1 91 91 GLU HB3 H 1 2.224 0.015 . 2 7 . 1 91 91 GLU HB3 . 19711 1 1063 . 1 1 91 91 GLU HG2 H 1 2.036 0 . 2 1 . 1 91 91 GLU HG2 . 19711 1 1064 . 1 1 91 91 GLU HG3 H 1 2.22 0.012 . 2 3 . 1 91 91 GLU HG3 . 19711 1 1065 . 1 1 91 91 GLU C C 13 175.681 0 . 1 1 . 1 91 91 GLU C . 19711 1 1066 . 1 1 91 91 GLU CA C 13 56.389 0.075 . 1 5 . 1 91 91 GLU CA . 19711 1 1067 . 1 1 91 91 GLU CB C 13 26.668 0.067 . 1 5 . 1 91 91 GLU CB . 19711 1 1068 . 1 1 91 91 GLU CG C 13 36.231 0.094 . 1 3 . 1 91 91 GLU CG . 19711 1 1069 . 1 1 91 91 GLU N N 15 116.221 0.023 . 1 23 . 1 91 91 GLU N . 19711 1 1070 . 1 1 92 92 LEU H H 1 8.016 0.008 . 1 18 . 1 92 92 LEU H . 19711 1 1071 . 1 1 92 92 LEU HA H 1 4.508 0.012 . 1 8 . 1 92 92 LEU HA . 19711 1 1072 . 1 1 92 92 LEU HB2 H 1 1.537 0.022 . 2 6 . 1 92 92 LEU HB2 . 19711 1 1073 . 1 1 92 92 LEU HB3 H 1 1.681 0.02 . 2 5 . 1 92 92 LEU HB3 . 19711 1 1074 . 1 1 92 92 LEU HG H 1 0.791 0 . 1 1 . 1 92 92 LEU HG . 19711 1 1075 . 1 1 92 92 LEU HD11 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD1 . 19711 1 1076 . 1 1 92 92 LEU HD12 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD1 . 19711 1 1077 . 1 1 92 92 LEU HD13 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD1 . 19711 1 1078 . 1 1 92 92 LEU HD21 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD2 . 19711 1 1079 . 1 1 92 92 LEU HD22 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD2 . 19711 1 1080 . 1 1 92 92 LEU HD23 H 1 0.793 0.011 . 2 7 . 1 92 92 LEU MD2 . 19711 1 1081 . 1 1 92 92 LEU C C 13 175.51 0 . 1 1 . 1 92 92 LEU C . 19711 1 1082 . 1 1 92 92 LEU CA C 13 53.643 0.043 . 1 4 . 1 92 92 LEU CA . 19711 1 1083 . 1 1 92 92 LEU CB C 13 42.722 0.045 . 1 5 . 1 92 92 LEU CB . 19711 1 1084 . 1 1 92 92 LEU CG C 13 26.091 0.002 . 1 2 . 1 92 92 LEU CG . 19711 1 1085 . 1 1 92 92 LEU CD1 C 13 21.605 0.025 . 2 2 . 1 92 92 LEU CD1 . 19711 1 1086 . 1 1 92 92 LEU CD2 C 13 21.63 0 . 2 1 . 1 92 92 LEU CD2 . 19711 1 1087 . 1 1 92 92 LEU N N 15 117.453 0.103 . 1 16 . 1 92 92 LEU N . 19711 1 1088 . 1 1 93 93 ASP H H 1 8.322 0.007 . 1 18 . 1 93 93 ASP H . 19711 1 1089 . 1 1 93 93 ASP HA H 1 4.863 0.008 . 1 3 . 1 93 93 ASP HA . 19711 1 1090 . 1 1 93 93 ASP HB2 H 1 2.446 0.021 . 2 3 . 1 93 93 ASP HB2 . 19711 1 1091 . 1 1 93 93 ASP HB3 H 1 2.535 0.02 . 2 3 . 1 93 93 ASP HB3 . 19711 1 1092 . 1 1 93 93 ASP C C 13 176.922 0 . 1 1 . 1 93 93 ASP C . 19711 1 1093 . 1 1 93 93 ASP CA C 13 53.684 0.088 . 1 6 . 1 93 93 ASP CA . 19711 1 1094 . 1 1 93 93 ASP CB C 13 42.88 0.077 . 1 2 . 1 93 93 ASP CB . 19711 1 1095 . 1 1 93 93 ASP N N 15 118.444 0.056 . 1 18 . 1 93 93 ASP N . 19711 1 1096 . 1 1 94 94 LEU H H 1 8.774 0.006 . 1 11 . 1 94 94 LEU H . 19711 1 1097 . 1 1 94 94 LEU HA H 1 4.28 0 . 1 1 . 1 94 94 LEU HA . 19711 1 1098 . 1 1 94 94 LEU HB2 H 1 1.476 0 . 2 1 . 1 94 94 LEU HB2 . 19711 1 1099 . 1 1 94 94 LEU HB3 H 1 1.57 0.005 . 2 2 . 1 94 94 LEU HB3 . 19711 1 1100 . 1 1 94 94 LEU HG H 1 1.115 0 . 1 1 . 1 94 94 LEU HG . 19711 1 1101 . 1 1 94 94 LEU C C 13 177.091 0 . 1 1 . 1 94 94 LEU C . 19711 1 1102 . 1 1 94 94 LEU CA C 13 55.865 0.059 . 1 3 . 1 94 94 LEU CA . 19711 1 1103 . 1 1 94 94 LEU CB C 13 43.235 0.045 . 1 3 . 1 94 94 LEU CB . 19711 1 1104 . 1 1 94 94 LEU CG C 13 29.059 0 . 1 1 . 1 94 94 LEU CG . 19711 1 1105 . 1 1 94 94 LEU CD1 C 13 25.889 0 . 2 1 . 1 94 94 LEU CD1 . 19711 1 1106 . 1 1 94 94 LEU CD2 C 13 25.889 0 . 2 1 . 1 94 94 LEU CD2 . 19711 1 1107 . 1 1 94 94 LEU N N 15 124.284 0.034 . 1 11 . 1 94 94 LEU N . 19711 1 1108 . 1 1 95 95 MET H H 1 8.499 0.006 . 1 18 . 1 95 95 MET H . 19711 1 1109 . 1 1 95 95 MET HA H 1 4.169 0.009 . 1 8 . 1 95 95 MET HA . 19711 1 1110 . 1 1 95 95 MET HB2 H 1 1.766 0.014 . 2 3 . 1 95 95 MET HB2 . 19711 1 1111 . 1 1 95 95 MET HB3 H 1 1.742 0 . 2 1 . 1 95 95 MET HB3 . 19711 1 1112 . 1 1 95 95 MET HG2 H 1 2.33 0.011 . 2 4 . 1 95 95 MET HG2 . 19711 1 1113 . 1 1 95 95 MET HG3 H 1 2.451 0.039 . 2 4 . 1 95 95 MET HG3 . 19711 1 1114 . 1 1 95 95 MET C C 13 174.766 0 . 1 1 . 1 95 95 MET C . 19711 1 1115 . 1 1 95 95 MET CA C 13 55.738 0.055 . 1 8 . 1 95 95 MET CA . 19711 1 1116 . 1 1 95 95 MET CB C 13 32.782 0.133 . 1 2 . 1 95 95 MET CB . 19711 1 1117 . 1 1 95 95 MET CG C 13 32.071 0.051 . 1 3 . 1 95 95 MET CG . 19711 1 1118 . 1 1 95 95 MET N N 15 120.703 0.068 . 1 18 . 1 95 95 MET N . 19711 1 1119 . 1 1 96 96 ARG H H 1 8.159 0.008 . 1 12 . 1 96 96 ARG H . 19711 1 1120 . 1 1 96 96 ARG HA H 1 4.523 0.011 . 1 8 . 1 96 96 ARG HA . 19711 1 1121 . 1 1 96 96 ARG HB2 H 1 1.641 0.004 . 2 3 . 1 96 96 ARG HB2 . 19711 1 1122 . 1 1 96 96 ARG HB3 H 1 1.361 0.013 . 2 4 . 1 96 96 ARG HB3 . 19711 1 1123 . 1 1 96 96 ARG HG2 H 1 1.054 0.015 . 2 4 . 1 96 96 ARG HG2 . 19711 1 1124 . 1 1 96 96 ARG HG3 H 1 1.056 0 . 2 1 . 1 96 96 ARG HG3 . 19711 1 1125 . 1 1 96 96 ARG HD2 H 1 2.889 0.014 . 2 5 . 1 96 96 ARG HD2 . 19711 1 1126 . 1 1 96 96 ARG C C 13 175.686 0 . 1 1 . 1 96 96 ARG C . 19711 1 1127 . 1 1 96 96 ARG CA C 13 54.788 0.091 . 1 5 . 1 96 96 ARG CA . 19711 1 1128 . 1 1 96 96 ARG CB C 13 32.517 0.144 . 1 6 . 1 96 96 ARG CB . 19711 1 1129 . 1 1 96 96 ARG CG C 13 27.206 0.052 . 1 4 . 1 96 96 ARG CG . 19711 1 1130 . 1 1 96 96 ARG CD C 13 43.641 0.005 . 1 2 . 1 96 96 ARG CD . 19711 1 1131 . 1 1 96 96 ARG N N 15 126.353 0.092 . 1 12 . 1 96 96 ARG N . 19711 1 1132 . 1 1 97 97 VAL H H 1 9.051 0.006 . 1 15 . 1 97 97 VAL H . 19711 1 1133 . 1 1 97 97 VAL HA H 1 4.072 0.01 . 1 8 . 1 97 97 VAL HA . 19711 1 1134 . 1 1 97 97 VAL HB H 1 1.998 0.014 . 1 6 . 1 97 97 VAL HB . 19711 1 1135 . 1 1 97 97 VAL HG11 H 1 0.84 0.017 . 2 3 . 1 97 97 VAL MG1 . 19711 1 1136 . 1 1 97 97 VAL HG12 H 1 0.84 0.017 . 2 3 . 1 97 97 VAL MG1 . 19711 1 1137 . 1 1 97 97 VAL HG13 H 1 0.84 0.017 . 2 3 . 1 97 97 VAL MG1 . 19711 1 1138 . 1 1 97 97 VAL HG21 H 1 0.875 0.003 . 2 2 . 1 97 97 VAL MG2 . 19711 1 1139 . 1 1 97 97 VAL HG22 H 1 0.875 0.003 . 2 2 . 1 97 97 VAL MG2 . 19711 1 1140 . 1 1 97 97 VAL HG23 H 1 0.875 0.003 . 2 2 . 1 97 97 VAL MG2 . 19711 1 1141 . 1 1 97 97 VAL C C 13 175.337 0 . 1 1 . 1 97 97 VAL C . 19711 1 1142 . 1 1 97 97 VAL CA C 13 62.362 0.073 . 1 5 . 1 97 97 VAL CA . 19711 1 1143 . 1 1 97 97 VAL CB C 13 31.961 0.073 . 1 4 . 1 97 97 VAL CB . 19711 1 1144 . 1 1 97 97 VAL CG1 C 13 22.153 0.077 . 2 2 . 1 97 97 VAL CG1 . 19711 1 1145 . 1 1 97 97 VAL CG2 C 13 20.497 0.073 . 2 2 . 1 97 97 VAL CG2 . 19711 1 1146 . 1 1 97 97 VAL N N 15 126.504 0.059 . 1 14 . 1 97 97 VAL N . 19711 1 1147 . 1 1 98 98 ASP H H 1 8.258 0.006 . 1 18 . 1 98 98 ASP H . 19711 1 1148 . 1 1 98 98 ASP HA H 1 4.481 0 . 1 1 . 1 98 98 ASP HA . 19711 1 1149 . 1 1 98 98 ASP HB2 H 1 2.571 0.023 . 2 3 . 1 98 98 ASP HB2 . 19711 1 1150 . 1 1 98 98 ASP HB3 H 1 2.553 0.007 . 2 3 . 1 98 98 ASP HB3 . 19711 1 1151 . 1 1 98 98 ASP C C 13 176.033 0 . 1 1 . 1 98 98 ASP C . 19711 1 1152 . 1 1 98 98 ASP CA C 13 54.289 0.018 . 1 3 . 1 98 98 ASP CA . 19711 1 1153 . 1 1 98 98 ASP CB C 13 42.354 0.039 . 1 3 . 1 98 98 ASP CB . 19711 1 1154 . 1 1 98 98 ASP N N 15 124.028 0.042 . 1 18 . 1 98 98 ASP N . 19711 1 1155 . 1 1 99 99 ASN H H 1 8.199 0.005 . 1 15 . 1 99 99 ASN H . 19711 1 1156 . 1 1 99 99 ASN HA H 1 4.143 0 . 1 1 . 1 99 99 ASN HA . 19711 1 1157 . 1 1 99 99 ASN HB2 H 1 2.317 0 . 2 1 . 1 99 99 ASN HB2 . 19711 1 1158 . 1 1 99 99 ASN HB3 H 1 2.107 0 . 2 1 . 1 99 99 ASN HB3 . 19711 1 1159 . 1 1 99 99 ASN C C 13 174.864 0 . 1 1 . 1 99 99 ASN C . 19711 1 1160 . 1 1 99 99 ASN CA C 13 53.143 0.039 . 1 3 . 1 99 99 ASN CA . 19711 1 1161 . 1 1 99 99 ASN CB C 13 37.473 0.006 . 1 3 . 1 99 99 ASN CB . 19711 1 1162 . 1 1 99 99 ASN N N 15 115.268 0.023 . 1 15 . 1 99 99 ASN N . 19711 1 1163 . 1 1 100 100 LEU H H 1 7.779 0.01 . 1 16 . 1 100 100 LEU H . 19711 1 1164 . 1 1 100 100 LEU HA H 1 4.248 0.002 . 1 8 . 1 100 100 LEU HA . 19711 1 1165 . 1 1 100 100 LEU HB2 H 1 1.424 0.012 . 2 10 . 1 100 100 LEU HB2 . 19711 1 1166 . 1 1 100 100 LEU HB3 H 1 0.878 0.01 . 2 9 . 1 100 100 LEU HB3 . 19711 1 1167 . 1 1 100 100 LEU HG H 1 1.354 0.025 . 1 3 . 1 100 100 LEU HG . 19711 1 1168 . 1 1 100 100 LEU HD11 H 1 0.539 0.005 . 2 4 . 1 100 100 LEU MD1 . 19711 1 1169 . 1 1 100 100 LEU HD12 H 1 0.539 0.005 . 2 4 . 1 100 100 LEU MD1 . 19711 1 1170 . 1 1 100 100 LEU HD13 H 1 0.539 0.005 . 2 4 . 1 100 100 LEU MD1 . 19711 1 1171 . 1 1 100 100 LEU HD21 H 1 0.41 0 . 2 3 . 1 100 100 LEU MD2 . 19711 1 1172 . 1 1 100 100 LEU HD22 H 1 0.41 0 . 2 3 . 1 100 100 LEU MD2 . 19711 1 1173 . 1 1 100 100 LEU HD23 H 1 0.41 0 . 2 3 . 1 100 100 LEU MD2 . 19711 1 1174 . 1 1 100 100 LEU CA C 13 53.165 0.049 . 1 6 . 1 100 100 LEU CA . 19711 1 1175 . 1 1 100 100 LEU CB C 13 40.482 0.025 . 1 13 . 1 100 100 LEU CB . 19711 1 1176 . 1 1 100 100 LEU N N 15 120.949 0.115 . 1 15 . 1 100 100 LEU N . 19711 1 1177 . 1 1 101 101 PRO HA H 1 4.344 0.008 . 1 10 . 1 101 101 PRO HA . 19711 1 1178 . 1 1 101 101 PRO HB2 H 1 1.959 0.009 . 2 5 . 1 101 101 PRO HB2 . 19711 1 1179 . 1 1 101 101 PRO HB3 H 1 2.242 0.008 . 2 7 . 1 101 101 PRO HB3 . 19711 1 1180 . 1 1 101 101 PRO HG2 H 1 1.983 0.013 . 2 4 . 1 101 101 PRO HG2 . 19711 1 1181 . 1 1 101 101 PRO HG3 H 1 2.05 0.002 . 2 3 . 1 101 101 PRO HG3 . 19711 1 1182 . 1 1 101 101 PRO HD2 H 1 3.557 0.004 . 2 9 . 1 101 101 PRO HD2 . 19711 1 1183 . 1 1 101 101 PRO HD3 H 1 3.005 0.007 . 2 8 . 1 101 101 PRO HD3 . 19711 1 1184 . 1 1 101 101 PRO C C 13 175.193 0 . 1 1 . 1 101 101 PRO C . 19711 1 1185 . 1 1 101 101 PRO CA C 13 63.392 0.084 . 1 5 . 1 101 101 PRO CA . 19711 1 1186 . 1 1 101 101 PRO CB C 13 31.564 0.021 . 1 6 . 1 101 101 PRO CB . 19711 1 1187 . 1 1 101 101 PRO CG C 13 27.554 0.021 . 1 2 . 1 101 101 PRO CG . 19711 1 1188 . 1 1 101 101 PRO CD C 13 50.127 0.039 . 1 13 . 1 101 101 PRO CD . 19711 1 1189 . 1 1 102 102 ASN H H 1 7.845 0.007 . 1 15 . 1 102 102 ASN H . 19711 1 1190 . 1 1 102 102 ASN CA C 13 54.582 0 . 1 1 . 1 102 102 ASN CA . 19711 1 1191 . 1 1 102 102 ASN CB C 13 40.831 0 . 1 1 . 1 102 102 ASN CB . 19711 1 1192 . 1 1 102 102 ASN N N 15 124.158 0.024 . 1 14 . 1 102 102 ASN N . 19711 1 1193 . 1 1 116 116 ILE H H 1 8.512 0.004 . 1 3 . 2 103 103 ILE H . 19711 1 1194 . 1 1 116 116 ILE HA H 1 4.524 0.007 . 1 13 . 2 103 103 ILE HA . 19711 1 1195 . 1 1 116 116 ILE HB H 1 2.056 0.01 . 1 10 . 2 103 103 ILE HB . 19711 1 1196 . 1 1 116 116 ILE HG12 H 1 1.397 0.01 . 2 5 . 2 103 103 ILE HG12 . 19711 1 1197 . 1 1 116 116 ILE HG13 H 1 1.68 0.008 . 2 5 . 2 103 103 ILE HG13 . 19711 1 1198 . 1 1 116 116 ILE HG21 H 1 1.092 0.017 . 1 9 . 2 103 103 ILE MG . 19711 1 1199 . 1 1 116 116 ILE HG22 H 1 1.092 0.017 . 1 9 . 2 103 103 ILE MG . 19711 1 1200 . 1 1 116 116 ILE HG23 H 1 1.092 0.017 . 1 9 . 2 103 103 ILE MG . 19711 1 1201 . 1 1 116 116 ILE HD11 H 1 1.024 0.023 . 1 7 . 2 103 103 ILE MD . 19711 1 1202 . 1 1 116 116 ILE HD12 H 1 1.024 0.023 . 1 7 . 2 103 103 ILE MD . 19711 1 1203 . 1 1 116 116 ILE HD13 H 1 1.024 0.023 . 1 7 . 2 103 103 ILE MD . 19711 1 1204 . 1 1 116 116 ILE C C 13 172.936 0 . 1 1 . 2 103 103 ILE C . 19711 1 1205 . 1 1 116 116 ILE CA C 13 60.521 0.099 . 1 8 . 2 103 103 ILE CA . 19711 1 1206 . 1 1 116 116 ILE CB C 13 40.053 0.023 . 1 9 . 2 103 103 ILE CB . 19711 1 1207 . 1 1 116 116 ILE CG1 C 13 27.966 0.033 . 1 3 . 2 103 103 ILE CG1 . 19711 1 1208 . 1 1 116 116 ILE CG2 C 13 18.69 0.024 . 1 5 . 2 103 103 ILE CG2 . 19711 1 1209 . 1 1 116 116 ILE CD1 C 13 13.874 0.055 . 1 3 . 2 103 103 ILE CD1 . 19711 1 1210 . 1 1 116 116 ILE N N 15 120.271 0.088 . 1 3 . 2 103 103 ILE N . 19711 1 1211 . 1 1 117 117 LYS H H 1 8.411 0.006 . 1 16 . 2 104 104 LYS H . 19711 1 1212 . 1 1 117 117 LYS HA H 1 4.794 0.016 . 1 8 . 2 104 104 LYS HA . 19711 1 1213 . 1 1 117 117 LYS HB2 H 1 1.626 0.013 . 2 8 . 2 104 104 LYS HB2 . 19711 1 1214 . 1 1 117 117 LYS HB3 H 1 1.841 0.01 . 2 10 . 2 104 104 LYS HB3 . 19711 1 1215 . 1 1 117 117 LYS HG2 H 1 1.341 0.015 . 2 4 . 2 104 104 LYS HG2 . 19711 1 1216 . 1 1 117 117 LYS HG3 H 1 1.315 0.011 . 2 7 . 2 104 104 LYS HG3 . 19711 1 1217 . 1 1 117 117 LYS HD2 H 1 1.52 0.001 . 2 4 . 2 104 104 LYS HD2 . 19711 1 1218 . 1 1 117 117 LYS HD3 H 1 1.519 0 . 2 1 . 2 104 104 LYS HD3 . 19711 1 1219 . 1 1 117 117 LYS HE2 H 1 3.013 0 . 2 1 . 2 104 104 LYS HE2 . 19711 1 1220 . 1 1 117 117 LYS HE3 H 1 3.1 0 . 2 1 . 2 104 104 LYS HE3 . 19711 1 1221 . 1 1 117 117 LYS C C 13 176.247 0 . 1 1 . 2 104 104 LYS C . 19711 1 1222 . 1 1 117 117 LYS CA C 13 54.489 0.071 . 1 6 . 2 104 104 LYS CA . 19711 1 1223 . 1 1 117 117 LYS CB C 13 35.4 0.046 . 1 13 . 2 104 104 LYS CB . 19711 1 1224 . 1 1 117 117 LYS CG C 13 24.6 0.033 . 1 5 . 2 104 104 LYS CG . 19711 1 1225 . 1 1 117 117 LYS CD C 13 29.369 0.031 . 1 2 . 2 104 104 LYS CD . 19711 1 1226 . 1 1 117 117 LYS CE C 13 42.267 0 . 1 1 . 2 104 104 LYS CE . 19711 1 1227 . 1 1 117 117 LYS N N 15 124.596 0.049 . 1 16 . 2 104 104 LYS N . 19711 1 1228 . 1 1 118 118 ILE H H 1 9.765 0.006 . 1 23 . 2 105 105 ILE H . 19711 1 1229 . 1 1 118 118 ILE HA H 1 4.011 0.012 . 1 8 . 2 105 105 ILE HA . 19711 1 1230 . 1 1 118 118 ILE HB H 1 2.022 0.018 . 1 5 . 2 105 105 ILE HB . 19711 1 1231 . 1 1 118 118 ILE HG12 H 1 1.859 0.018 . 2 3 . 2 105 105 ILE HG12 . 19711 1 1232 . 1 1 118 118 ILE HG13 H 1 1.269 0 . 2 1 . 2 105 105 ILE HG13 . 19711 1 1233 . 1 1 118 118 ILE HG21 H 1 1.095 0.013 . 1 9 . 2 105 105 ILE MG . 19711 1 1234 . 1 1 118 118 ILE HG22 H 1 1.095 0.013 . 1 9 . 2 105 105 ILE MG . 19711 1 1235 . 1 1 118 118 ILE HG23 H 1 1.095 0.013 . 1 9 . 2 105 105 ILE MG . 19711 1 1236 . 1 1 118 118 ILE HD11 H 1 0.641 0.015 . 1 5 . 2 105 105 ILE MD . 19711 1 1237 . 1 1 118 118 ILE HD12 H 1 0.641 0.015 . 1 5 . 2 105 105 ILE MD . 19711 1 1238 . 1 1 118 118 ILE HD13 H 1 0.641 0.015 . 1 5 . 2 105 105 ILE MD . 19711 1 1239 . 1 1 118 118 ILE C C 13 175.214 0 . 1 1 . 2 105 105 ILE C . 19711 1 1240 . 1 1 118 118 ILE CA C 13 63.079 0.152 . 1 7 . 2 105 105 ILE CA . 19711 1 1241 . 1 1 118 118 ILE CB C 13 38.6 0.074 . 1 5 . 2 105 105 ILE CB . 19711 1 1242 . 1 1 118 118 ILE CG1 C 13 27.756 0 . 1 1 . 2 105 105 ILE CG1 . 19711 1 1243 . 1 1 118 118 ILE CG2 C 13 21.433 0.126 . 1 4 . 2 105 105 ILE CG2 . 19711 1 1244 . 1 1 118 118 ILE CD1 C 13 15.073 0 . 1 1 . 2 105 105 ILE CD1 . 19711 1 1245 . 1 1 118 118 ILE N N 15 120.664 0.043 . 1 23 . 2 105 105 ILE N . 19711 1 1246 . 1 1 119 119 ALA H H 1 9.455 0.01 . 1 18 . 2 106 106 ALA H . 19711 1 1247 . 1 1 119 119 ALA HA H 1 4.651 0.01 . 1 7 . 2 106 106 ALA HA . 19711 1 1248 . 1 1 119 119 ALA HB1 H 1 1.478 0.019 . 1 5 . 2 106 106 ALA MB . 19711 1 1249 . 1 1 119 119 ALA HB2 H 1 1.478 0.019 . 1 5 . 2 106 106 ALA MB . 19711 1 1250 . 1 1 119 119 ALA HB3 H 1 1.478 0.019 . 1 5 . 2 106 106 ALA MB . 19711 1 1251 . 1 1 119 119 ALA C C 13 178.423 0 . 1 1 . 2 106 106 ALA C . 19711 1 1252 . 1 1 119 119 ALA CA C 13 54.274 0.1 . 1 7 . 2 106 106 ALA CA . 19711 1 1253 . 1 1 119 119 ALA CB C 13 21.003 0.063 . 1 5 . 2 106 106 ALA CB . 19711 1 1254 . 1 1 119 119 ALA N N 15 131.705 0.078 . 1 16 . 2 106 106 ALA N . 19711 1 1255 . 1 1 120 120 THR H H 1 7.933 0.007 . 1 20 . 2 107 107 THR H . 19711 1 1256 . 1 1 120 120 THR HA H 1 4.848 0.008 . 1 7 . 2 107 107 THR HA . 19711 1 1257 . 1 1 120 120 THR HB H 1 4.241 0.006 . 1 7 . 2 107 107 THR HB . 19711 1 1258 . 1 1 120 120 THR HG21 H 1 1.167 0.015 . 1 6 . 2 107 107 THR MG . 19711 1 1259 . 1 1 120 120 THR HG22 H 1 1.167 0.015 . 1 6 . 2 107 107 THR MG . 19711 1 1260 . 1 1 120 120 THR HG23 H 1 1.167 0.015 . 1 6 . 2 107 107 THR MG . 19711 1 1261 . 1 1 120 120 THR C C 13 171.162 0 . 1 1 . 2 107 107 THR C . 19711 1 1262 . 1 1 120 120 THR CA C 13 60.11 0.107 . 1 6 . 2 107 107 THR CA . 19711 1 1263 . 1 1 120 120 THR CB C 13 73.66 0.072 . 1 6 . 2 107 107 THR CB . 19711 1 1264 . 1 1 120 120 THR CG2 C 13 21.801 0.049 . 1 3 . 2 107 107 THR CG2 . 19711 1 1265 . 1 1 120 120 THR N N 15 106.265 0.046 . 1 20 . 2 107 107 THR N . 19711 1 1266 . 1 1 121 121 ARG H H 1 8.313 0.006 . 1 19 . 2 108 108 ARG H . 19711 1 1267 . 1 1 121 121 ARG HA H 1 4.674 0.009 . 1 7 . 2 108 108 ARG HA . 19711 1 1268 . 1 1 121 121 ARG HB2 H 1 0.084 0.015 . 2 4 . 2 108 108 ARG HB2 . 19711 1 1269 . 1 1 121 121 ARG HB3 H 1 1.142 0.011 . 2 6 . 2 108 108 ARG HB3 . 19711 1 1270 . 1 1 121 121 ARG HG2 H 1 0.439 0.012 . 2 7 . 2 108 108 ARG HG2 . 19711 1 1271 . 1 1 121 121 ARG HG3 H 1 0.955 0.008 . 2 4 . 2 108 108 ARG HG3 . 19711 1 1272 . 1 1 121 121 ARG HD2 H 1 2.605 0.007 . 2 4 . 2 108 108 ARG HD2 . 19711 1 1273 . 1 1 121 121 ARG HD3 H 1 2.784 0.004 . 2 3 . 2 108 108 ARG HD3 . 19711 1 1274 . 1 1 121 121 ARG C C 13 174.694 0 . 1 1 . 2 108 108 ARG C . 19711 1 1275 . 1 1 121 121 ARG CA C 13 54.308 0.098 . 1 7 . 2 108 108 ARG CA . 19711 1 1276 . 1 1 121 121 ARG CB C 13 33.705 0.044 . 1 6 . 2 108 108 ARG CB . 19711 1 1277 . 1 1 121 121 ARG CG C 13 26.901 0.069 . 1 5 . 2 108 108 ARG CG . 19711 1 1278 . 1 1 121 121 ARG CD C 13 44.111 0.08 . 1 4 . 2 108 108 ARG CD . 19711 1 1279 . 1 1 121 121 ARG N N 15 121.392 0.059 . 1 18 . 2 108 108 ARG N . 19711 1 1280 . 1 1 122 122 LYS H H 1 8.742 0.007 . 1 15 . 2 109 109 LYS H . 19711 1 1281 . 1 1 122 122 LYS HA H 1 4.776 0.015 . 1 4 . 2 109 109 LYS HA . 19711 1 1282 . 1 1 122 122 LYS HB2 H 1 1.736 0.002 . 2 3 . 2 109 109 LYS HB2 . 19711 1 1283 . 1 1 122 122 LYS HB3 H 1 1.729 0.012 . 2 8 . 2 109 109 LYS HB3 . 19711 1 1284 . 1 1 122 122 LYS HG2 H 1 1.31 0.021 . 2 2 . 2 109 109 LYS HG2 . 19711 1 1285 . 1 1 122 122 LYS HG3 H 1 1.333 0.018 . 2 7 . 2 109 109 LYS HG3 . 19711 1 1286 . 1 1 122 122 LYS HD2 H 1 1.519 0 . 2 1 . 2 109 109 LYS HD2 . 19711 1 1287 . 1 1 122 122 LYS HD3 H 1 1.617 0.001 . 2 3 . 2 109 109 LYS HD3 . 19711 1 1288 . 1 1 122 122 LYS HE2 H 1 2.869 0 . 2 1 . 2 109 109 LYS HE2 . 19711 1 1289 . 1 1 122 122 LYS HE3 H 1 2.923 0 . 2 1 . 2 109 109 LYS HE3 . 19711 1 1290 . 1 1 122 122 LYS C C 13 174.684 0 . 1 1 . 2 109 109 LYS C . 19711 1 1291 . 1 1 122 122 LYS CA C 13 54.618 0.052 . 1 5 . 2 109 109 LYS CA . 19711 1 1292 . 1 1 122 122 LYS CB C 13 36.467 0.043 . 1 9 . 2 109 109 LYS CB . 19711 1 1293 . 1 1 122 122 LYS CG C 13 24.511 0.083 . 1 3 . 2 109 109 LYS CG . 19711 1 1294 . 1 1 122 122 LYS CD C 13 29.256 0.021 . 1 3 . 2 109 109 LYS CD . 19711 1 1295 . 1 1 122 122 LYS CE C 13 41.831 0 . 1 1 . 2 109 109 LYS CE . 19711 1 1296 . 1 1 122 122 LYS N N 15 126.907 0.071 . 1 14 . 2 109 109 LYS N . 19711 1 1297 . 1 1 123 123 TYR H H 1 9.026 0.005 . 1 14 . 2 110 110 TYR H . 19711 1 1298 . 1 1 123 123 TYR HA H 1 4.013 0.006 . 1 5 . 2 110 110 TYR HA . 19711 1 1299 . 1 1 123 123 TYR HB2 H 1 2.752 0.012 . 2 5 . 2 110 110 TYR HB2 . 19711 1 1300 . 1 1 123 123 TYR HB3 H 1 2.992 0.014 . 2 5 . 2 110 110 TYR HB3 . 19711 1 1301 . 1 1 123 123 TYR HD1 H 1 6.344 0 . 3 2 . 2 110 110 TYR HD1 . 19711 1 1302 . 1 1 123 123 TYR HE1 H 1 6.518 0.001 . 3 2 . 2 110 110 TYR HE1 . 19711 1 1303 . 1 1 123 123 TYR C C 13 175.051 0 . 1 1 . 2 110 110 TYR C . 19711 1 1304 . 1 1 123 123 TYR CA C 13 57.774 0.065 . 1 5 . 2 110 110 TYR CA . 19711 1 1305 . 1 1 123 123 TYR CB C 13 38.293 0.076 . 1 7 . 2 110 110 TYR CB . 19711 1 1306 . 1 1 123 123 TYR N N 15 126.2 0.057 . 1 14 . 2 110 110 TYR N . 19711 1 1307 . 1 1 124 124 LEU H H 1 8.033 0.006 . 1 11 . 2 111 111 LEU H . 19711 1 1308 . 1 1 124 124 LEU HA H 1 4.254 0.005 . 1 11 . 2 111 111 LEU HA . 19711 1 1309 . 1 1 124 124 LEU HB2 H 1 1.239 0 . 2 1 . 2 111 111 LEU HB2 . 19711 1 1310 . 1 1 124 124 LEU HB3 H 1 1.233 0.009 . 2 5 . 2 111 111 LEU HB3 . 19711 1 1311 . 1 1 124 124 LEU HG H 1 0.756 0 . 1 1 . 2 111 111 LEU HG . 19711 1 1312 . 1 1 124 124 LEU HD11 H 1 0.728 0.02 . 2 3 . 2 111 111 LEU MD1 . 19711 1 1313 . 1 1 124 124 LEU HD12 H 1 0.728 0.02 . 2 3 . 2 111 111 LEU MD1 . 19711 1 1314 . 1 1 124 124 LEU HD13 H 1 0.728 0.02 . 2 3 . 2 111 111 LEU MD1 . 19711 1 1315 . 1 1 124 124 LEU HD21 H 1 0.588 0.047 . 2 2 . 2 111 111 LEU MD2 . 19711 1 1316 . 1 1 124 124 LEU HD22 H 1 0.588 0.047 . 2 2 . 2 111 111 LEU MD2 . 19711 1 1317 . 1 1 124 124 LEU HD23 H 1 0.588 0.047 . 2 2 . 2 111 111 LEU MD2 . 19711 1 1318 . 1 1 124 124 LEU C C 13 176.769 0 . 1 1 . 2 111 111 LEU C . 19711 1 1319 . 1 1 124 124 LEU CA C 13 54.464 0.08 . 1 7 . 2 111 111 LEU CA . 19711 1 1320 . 1 1 124 124 LEU CB C 13 42.697 0.064 . 1 6 . 2 111 111 LEU CB . 19711 1 1321 . 1 1 124 124 LEU CG C 13 25.252 0.236 . 1 3 . 2 111 111 LEU CG . 19711 1 1322 . 1 1 124 124 LEU CD1 C 13 22.345 0 . 2 1 . 2 111 111 LEU CD1 . 19711 1 1323 . 1 1 124 124 LEU CD2 C 13 22.345 0 . 2 1 . 2 111 111 LEU CD2 . 19711 1 1324 . 1 1 124 124 LEU N N 15 127.201 0.079 . 1 11 . 2 111 111 LEU N . 19711 1 1325 . 1 1 125 125 GLY H H 1 5.718 0.009 . 1 21 . 2 112 112 GLY H . 19711 1 1326 . 1 1 125 125 GLY HA2 H 1 3.151 0.013 . 2 4 . 2 112 112 GLY HA2 . 19711 1 1327 . 1 1 125 125 GLY HA3 H 1 4.053 0.012 . 2 7 . 2 112 112 GLY HA3 . 19711 1 1328 . 1 1 125 125 GLY C C 13 171.796 0 . 1 1 . 2 112 112 GLY C . 19711 1 1329 . 1 1 125 125 GLY CA C 13 44.101 0.122 . 1 8 . 2 112 112 GLY CA . 19711 1 1330 . 1 1 125 125 GLY N N 15 105.487 0.065 . 1 20 . 2 112 112 GLY N . 19711 1 1331 . 1 1 126 126 LYS H H 1 8.224 0.004 . 1 19 . 2 113 113 LYS H . 19711 1 1332 . 1 1 126 126 LYS HA H 1 4.708 0.012 . 1 8 . 2 113 113 LYS HA . 19711 1 1333 . 1 1 126 126 LYS HB2 H 1 1.41 0.013 . 2 11 . 2 113 113 LYS HB2 . 19711 1 1334 . 1 1 126 126 LYS HB3 H 1 1.647 0.014 . 2 7 . 2 113 113 LYS HB3 . 19711 1 1335 . 1 1 126 126 LYS HG2 H 1 1.619 0.016 . 2 2 . 2 113 113 LYS HG2 . 19711 1 1336 . 1 1 126 126 LYS HG3 H 1 1.068 0.02 . 2 3 . 2 113 113 LYS HG3 . 19711 1 1337 . 1 1 126 126 LYS HE2 H 1 2.92 0 . 2 1 . 2 113 113 LYS HE2 . 19711 1 1338 . 1 1 126 126 LYS HE3 H 1 2.918 0 . 2 1 . 2 113 113 LYS HE3 . 19711 1 1339 . 1 1 126 126 LYS C C 13 177.032 0 . 1 1 . 2 113 113 LYS C . 19711 1 1340 . 1 1 126 126 LYS CA C 13 55.825 0.054 . 1 6 . 2 113 113 LYS CA . 19711 1 1341 . 1 1 126 126 LYS CB C 13 32.889 0.044 . 1 11 . 2 113 113 LYS CB . 19711 1 1342 . 1 1 126 126 LYS CG C 13 22.627 0 . 1 1 . 2 113 113 LYS CG . 19711 1 1343 . 1 1 126 126 LYS CD C 13 25.802 0 . 1 1 . 2 113 113 LYS CD . 19711 1 1344 . 1 1 126 126 LYS CE C 13 41.691 0 . 1 1 . 2 113 113 LYS CE . 19711 1 1345 . 1 1 126 126 LYS N N 15 118.843 0.051 . 1 19 . 2 113 113 LYS N . 19711 1 1346 . 1 1 127 127 GLN H H 1 8.688 0.006 . 1 22 . 2 114 114 GLN H . 19711 1 1347 . 1 1 127 127 GLN HA H 1 4.727 0.017 . 1 7 . 2 114 114 GLN HA . 19711 1 1348 . 1 1 127 127 GLN HB2 H 1 1.948 0.013 . 2 7 . 2 114 114 GLN HB2 . 19711 1 1349 . 1 1 127 127 GLN HB3 H 1 2.281 0.016 . 2 10 . 2 114 114 GLN HB3 . 19711 1 1350 . 1 1 127 127 GLN HG2 H 1 1.589 0 . 2 1 . 2 114 114 GLN HG2 . 19711 1 1351 . 1 1 127 127 GLN HG3 H 1 1.739 0.018 . 2 3 . 2 114 114 GLN HG3 . 19711 1 1352 . 1 1 127 127 GLN HE21 H 1 8.057 0.007 . 2 3 . 2 114 114 GLN HE21 . 19711 1 1353 . 1 1 127 127 GLN HE22 H 1 6.722 0.002 . 2 3 . 2 114 114 GLN HE22 . 19711 1 1354 . 1 1 127 127 GLN C C 13 174.31 0 . 1 1 . 2 114 114 GLN C . 19711 1 1355 . 1 1 127 127 GLN CA C 13 53.685 0.061 . 1 5 . 2 114 114 GLN CA . 19711 1 1356 . 1 1 127 127 GLN CB C 13 32.9 0.105 . 1 6 . 2 114 114 GLN CB . 19711 1 1357 . 1 1 127 127 GLN CG C 13 33.227 0.091 . 1 2 . 2 114 114 GLN CG . 19711 1 1358 . 1 1 127 127 GLN CD C 13 180.535 0.01 . 1 2 . 2 114 114 GLN CD . 19711 1 1359 . 1 1 127 127 GLN N N 15 119.942 0.066 . 1 21 . 2 114 114 GLN N . 19711 1 1360 . 1 1 127 127 GLN NE2 N 15 113.123 0.248 . 1 5 . 2 114 114 GLN NE2 . 19711 1 1361 . 1 1 128 128 ASN H H 1 8.877 0.014 . 1 27 . 2 115 115 ASN H . 19711 1 1362 . 1 1 128 128 ASN HA H 1 4.445 0.01 . 1 5 . 2 115 115 ASN HA . 19711 1 1363 . 1 1 128 128 ASN HB2 H 1 2.596 0.01 . 2 9 . 2 115 115 ASN HB2 . 19711 1 1364 . 1 1 128 128 ASN HB3 H 1 3 0.006 . 2 7 . 2 115 115 ASN HB3 . 19711 1 1365 . 1 1 128 128 ASN HD21 H 1 6.868 0.015 . 2 4 . 2 115 115 ASN HD21 . 19711 1 1366 . 1 1 128 128 ASN HD22 H 1 7.689 0.002 . 2 3 . 2 115 115 ASN HD22 . 19711 1 1367 . 1 1 128 128 ASN C C 13 175.213 0 . 1 1 . 2 115 115 ASN C . 19711 1 1368 . 1 1 128 128 ASN CA C 13 55.18 0.062 . 1 5 . 2 115 115 ASN CA . 19711 1 1369 . 1 1 128 128 ASN CB C 13 39.418 0.043 . 1 8 . 2 115 115 ASN CB . 19711 1 1370 . 1 1 128 128 ASN CG C 13 177.517 0.012 . 1 2 . 2 115 115 ASN CG . 19711 1 1371 . 1 1 128 128 ASN N N 15 121.222 0.075 . 1 27 . 2 115 115 ASN N . 19711 1 1372 . 1 1 128 128 ASN ND2 N 15 113.672 0.212 . 1 6 . 2 115 115 ASN ND2 . 19711 1 1373 . 1 1 129 129 VAL H H 1 8.246 0.009 . 1 25 . 2 116 116 VAL H . 19711 1 1374 . 1 1 129 129 VAL HA H 1 5.125 0.019 . 1 10 . 2 116 116 VAL HA . 19711 1 1375 . 1 1 129 129 VAL HB H 1 1.994 0.008 . 1 5 . 2 116 116 VAL HB . 19711 1 1376 . 1 1 129 129 VAL HG11 H 1 0.682 0.011 . 2 10 . 2 116 116 VAL MG1 . 19711 1 1377 . 1 1 129 129 VAL HG12 H 1 0.682 0.011 . 2 10 . 2 116 116 VAL MG1 . 19711 1 1378 . 1 1 129 129 VAL HG13 H 1 0.682 0.011 . 2 10 . 2 116 116 VAL MG1 . 19711 1 1379 . 1 1 129 129 VAL HG21 H 1 0.744 0.034 . 2 3 . 2 116 116 VAL MG2 . 19711 1 1380 . 1 1 129 129 VAL HG22 H 1 0.744 0.034 . 2 3 . 2 116 116 VAL MG2 . 19711 1 1381 . 1 1 129 129 VAL HG23 H 1 0.744 0.034 . 2 3 . 2 116 116 VAL MG2 . 19711 1 1382 . 1 1 129 129 VAL C C 13 175.661 0 . 1 1 . 2 116 116 VAL C . 19711 1 1383 . 1 1 129 129 VAL CA C 13 59.713 0.096 . 1 6 . 2 116 116 VAL CA . 19711 1 1384 . 1 1 129 129 VAL CB C 13 36.49 0.093 . 1 4 . 2 116 116 VAL CB . 19711 1 1385 . 1 1 129 129 VAL CG1 C 13 20.455 0.105 . 2 3 . 2 116 116 VAL CG1 . 19711 1 1386 . 1 1 129 129 VAL CG2 C 13 22.683 0.015 . 2 2 . 2 116 116 VAL CG2 . 19711 1 1387 . 1 1 129 129 VAL N N 15 115.318 0.058 . 1 22 . 2 116 116 VAL N . 19711 1 1388 . 1 1 130 130 TYR H H 1 8.672 0.01 . 1 23 . 2 117 117 TYR H . 19711 1 1389 . 1 1 130 130 TYR HA H 1 5.212 0.015 . 1 7 . 2 117 117 TYR HA . 19711 1 1390 . 1 1 130 130 TYR HB2 H 1 2.461 0.02 . 2 4 . 2 117 117 TYR HB2 . 19711 1 1391 . 1 1 130 130 TYR HB3 H 1 3.085 0.012 . 2 5 . 2 117 117 TYR HB3 . 19711 1 1392 . 1 1 130 130 TYR HD1 H 1 7.173 0.006 . 3 4 . 2 117 117 TYR HD1 . 19711 1 1393 . 1 1 130 130 TYR HD2 H 1 7.155 0.014 . 3 4 . 2 117 117 TYR HD2 . 19711 1 1394 . 1 1 130 130 TYR HE1 H 1 6.835 0.008 . 3 4 . 2 117 117 TYR HE1 . 19711 1 1395 . 1 1 130 130 TYR C C 13 174.211 0 . 1 1 . 2 117 117 TYR C . 19711 1 1396 . 1 1 130 130 TYR CA C 13 58.964 0.101 . 1 5 . 2 117 117 TYR CA . 19711 1 1397 . 1 1 130 130 TYR CB C 13 45.367 0.034 . 1 7 . 2 117 117 TYR CB . 19711 1 1398 . 1 1 130 130 TYR N N 15 115.14 0.062 . 1 21 . 2 117 117 TYR N . 19711 1 1399 . 1 1 131 131 ASP H H 1 9.157 0.004 . 1 22 . 2 118 118 ASP H . 19711 1 1400 . 1 1 131 131 ASP HA H 1 5.418 0.03 . 1 5 . 2 118 118 ASP HA . 19711 1 1401 . 1 1 131 131 ASP HB2 H 1 3.048 0.012 . 2 5 . 2 118 118 ASP HB2 . 19711 1 1402 . 1 1 131 131 ASP HB3 H 1 2.506 0.014 . 2 5 . 2 118 118 ASP HB3 . 19711 1 1403 . 1 1 131 131 ASP C C 13 175.207 0 . 1 1 . 2 118 118 ASP C . 19711 1 1404 . 1 1 131 131 ASP CA C 13 54.638 0.07 . 1 5 . 2 118 118 ASP CA . 19711 1 1405 . 1 1 131 131 ASP CB C 13 47.172 0.065 . 1 5 . 2 118 118 ASP CB . 19711 1 1406 . 1 1 131 131 ASP N N 15 118.536 0.059 . 1 21 . 2 118 118 ASP N . 19711 1 1407 . 1 1 132 132 ILE H H 1 8.638 0.005 . 1 17 . 2 119 119 ILE H . 19711 1 1408 . 1 1 132 132 ILE HA H 1 4.639 0.008 . 1 6 . 2 119 119 ILE HA . 19711 1 1409 . 1 1 132 132 ILE HB H 1 1.54 0.037 . 1 6 . 2 119 119 ILE HB . 19711 1 1410 . 1 1 132 132 ILE HG12 H 1 0.368 0.012 . 2 3 . 2 119 119 ILE HG12 . 19711 1 1411 . 1 1 132 132 ILE HG13 H 1 0.777 0 . 2 1 . 2 119 119 ILE HG13 . 19711 1 1412 . 1 1 132 132 ILE HG21 H 1 0.69 0.015 . 1 5 . 2 119 119 ILE MG . 19711 1 1413 . 1 1 132 132 ILE HG22 H 1 0.69 0.015 . 1 5 . 2 119 119 ILE MG . 19711 1 1414 . 1 1 132 132 ILE HG23 H 1 0.69 0.015 . 1 5 . 2 119 119 ILE MG . 19711 1 1415 . 1 1 132 132 ILE HD11 H 1 -0.094 0.004 . 1 6 . 2 119 119 ILE MD . 19711 1 1416 . 1 1 132 132 ILE HD12 H 1 -0.094 0.004 . 1 6 . 2 119 119 ILE MD . 19711 1 1417 . 1 1 132 132 ILE HD13 H 1 -0.094 0.004 . 1 6 . 2 119 119 ILE MD . 19711 1 1418 . 1 1 132 132 ILE C C 13 174.682 0 . 1 1 . 2 119 119 ILE C . 19711 1 1419 . 1 1 132 132 ILE CA C 13 59.678 0.108 . 1 4 . 2 119 119 ILE CA . 19711 1 1420 . 1 1 132 132 ILE CB C 13 42.048 0.146 . 1 7 . 2 119 119 ILE CB . 19711 1 1421 . 1 1 132 132 ILE CG1 C 13 28.099 0 . 1 1 . 2 119 119 ILE CG1 . 19711 1 1422 . 1 1 132 132 ILE CG2 C 13 18.579 0.031 . 1 2 . 2 119 119 ILE CG2 . 19711 1 1423 . 1 1 132 132 ILE CD1 C 13 13.817 0.069 . 1 4 . 2 119 119 ILE CD1 . 19711 1 1424 . 1 1 132 132 ILE N N 15 112.109 0.116 . 1 17 . 2 119 119 ILE N . 19711 1 1425 . 1 1 133 133 GLY H H 1 7.942 0.009 . 1 21 . 2 120 120 GLY H . 19711 1 1426 . 1 1 133 133 GLY HA2 H 1 4.433 0.009 . 2 4 . 2 120 120 GLY HA2 . 19711 1 1427 . 1 1 133 133 GLY HA3 H 1 3.477 0.027 . 2 4 . 2 120 120 GLY HA3 . 19711 1 1428 . 1 1 133 133 GLY C C 13 172.071 0 . 1 1 . 2 120 120 GLY C . 19711 1 1429 . 1 1 133 133 GLY CA C 13 43.916 0.087 . 1 8 . 2 120 120 GLY CA . 19711 1 1430 . 1 1 133 133 GLY N N 15 105.714 0.114 . 1 21 . 2 120 120 GLY N . 19711 1 1431 . 1 1 134 134 VAL H H 1 8.34 0.005 . 1 8 . 2 121 121 VAL H . 19711 1 1432 . 1 1 134 134 VAL CA C 13 59.531 0 . 1 1 . 2 121 121 VAL CA . 19711 1 1433 . 1 1 134 134 VAL N N 15 115.553 0.06 . 1 8 . 2 121 121 VAL N . 19711 1 1434 . 1 1 138 138 HIS HD1 H 1 7.341 0 . 1 1 . 2 125 125 HIS HD1 . 19711 1 1435 . 1 1 138 138 HIS CB C 13 26.199 0 . 1 1 . 2 125 125 HIS CB . 19711 1 1436 . 1 1 139 139 ASN C C 13 171.725 0 . 1 1 . 2 126 126 ASN C . 19711 1 1437 . 1 1 139 139 ASN CA C 13 52.719 0.065 . 1 2 . 2 126 126 ASN CA . 19711 1 1438 . 1 1 139 139 ASN CB C 13 41.458 0.066 . 1 2 . 2 126 126 ASN CB . 19711 1 1439 . 1 1 140 140 PHE H H 1 8.176 0.004 . 1 9 . 2 127 127 PHE H . 19711 1 1440 . 1 1 140 140 PHE HA H 1 5.854 0.006 . 1 7 . 2 127 127 PHE HA . 19711 1 1441 . 1 1 140 140 PHE HB2 H 1 3.235 0.007 . 2 2 . 2 127 127 PHE HB2 . 19711 1 1442 . 1 1 140 140 PHE HB3 H 1 3.073 0 . 2 1 . 2 127 127 PHE HB3 . 19711 1 1443 . 1 1 140 140 PHE C C 13 174.016 0 . 1 1 . 2 127 127 PHE C . 19711 1 1444 . 1 1 140 140 PHE CA C 13 56.18 0.252 . 1 5 . 2 127 127 PHE CA . 19711 1 1445 . 1 1 140 140 PHE CB C 13 39.76 0.056 . 1 5 . 2 127 127 PHE CB . 19711 1 1446 . 1 1 140 140 PHE N N 15 112.725 0.114 . 1 9 . 2 127 127 PHE N . 19711 1 1447 . 1 1 141 141 ALA H H 1 8.603 0.008 . 1 11 . 2 128 128 ALA H . 19711 1 1448 . 1 1 141 141 ALA HA H 1 5.303 0.008 . 1 6 . 2 128 128 ALA HA . 19711 1 1449 . 1 1 141 141 ALA HB1 H 1 1.349 0.017 . 1 6 . 2 128 128 ALA MB . 19711 1 1450 . 1 1 141 141 ALA HB2 H 1 1.349 0.017 . 1 6 . 2 128 128 ALA MB . 19711 1 1451 . 1 1 141 141 ALA HB3 H 1 1.349 0.017 . 1 6 . 2 128 128 ALA MB . 19711 1 1452 . 1 1 141 141 ALA C C 13 178.614 0 . 1 1 . 2 128 128 ALA C . 19711 1 1453 . 1 1 141 141 ALA CA C 13 51.564 0.123 . 1 5 . 2 128 128 ALA CA . 19711 1 1454 . 1 1 141 141 ALA CB C 13 20.38 0.1 . 1 5 . 2 128 128 ALA CB . 19711 1 1455 . 1 1 141 141 ALA N N 15 120.147 0.143 . 1 11 . 2 128 128 ALA N . 19711 1 1456 . 1 1 142 142 LEU H H 1 9.136 0.009 . 1 15 . 2 129 129 LEU H . 19711 1 1457 . 1 1 142 142 LEU HA H 1 5.132 0 . 1 1 . 2 129 129 LEU HA . 19711 1 1458 . 1 1 142 142 LEU HD11 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD1 . 19711 1 1459 . 1 1 142 142 LEU HD12 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD1 . 19711 1 1460 . 1 1 142 142 LEU HD13 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD1 . 19711 1 1461 . 1 1 142 142 LEU HD21 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD2 . 19711 1 1462 . 1 1 142 142 LEU HD22 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD2 . 19711 1 1463 . 1 1 142 142 LEU HD23 H 1 0.84 0 . 2 1 . 2 129 129 LEU MD2 . 19711 1 1464 . 1 1 142 142 LEU C C 13 177.179 0 . 1 1 . 2 129 129 LEU C . 19711 1 1465 . 1 1 142 142 LEU CA C 13 52.955 0.059 . 1 3 . 2 129 129 LEU CA . 19711 1 1466 . 1 1 142 142 LEU CB C 13 45.503 0.047 . 1 3 . 2 129 129 LEU CB . 19711 1 1467 . 1 1 142 142 LEU CG C 13 26.278 0 . 1 1 . 2 129 129 LEU CG . 19711 1 1468 . 1 1 142 142 LEU CD1 C 13 24.344 0 . 2 1 . 2 129 129 LEU CD1 . 19711 1 1469 . 1 1 142 142 LEU CD2 C 13 24.344 0 . 2 1 . 2 129 129 LEU CD2 . 19711 1 1470 . 1 1 142 142 LEU N N 15 121.19 0.06 . 1 13 . 2 129 129 LEU N . 19711 1 1471 . 1 1 143 143 LYS H H 1 7.651 0.006 . 1 17 . 2 130 130 LYS H . 19711 1 1472 . 1 1 143 143 LYS CA C 13 58.849 0 . 1 1 . 2 130 130 LYS CA . 19711 1 1473 . 1 1 143 143 LYS CB C 13 33.678 0 . 1 1 . 2 130 130 LYS CB . 19711 1 1474 . 1 1 143 143 LYS N N 15 118.158 0.062 . 1 17 . 2 130 130 LYS N . 19711 1 1475 . 1 1 144 144 ASN HA H 1 4.261 0.006 . 1 5 . 2 131 131 ASN HA . 19711 1 1476 . 1 1 144 144 ASN HB2 H 1 2.81 0.01 . 2 3 . 2 131 131 ASN HB2 . 19711 1 1477 . 1 1 144 144 ASN HB3 H 1 3.265 0.01 . 2 3 . 2 131 131 ASN HB3 . 19711 1 1478 . 1 1 144 144 ASN HD21 H 1 6.708 0.003 . 2 2 . 2 131 131 ASN HD21 . 19711 1 1479 . 1 1 144 144 ASN HD22 H 1 7.496 0.002 . 2 4 . 2 131 131 ASN HD22 . 19711 1 1480 . 1 1 144 144 ASN C C 13 174.532 0 . 1 1 . 2 131 131 ASN C . 19711 1 1481 . 1 1 144 144 ASN CA C 13 55.338 0.098 . 1 4 . 2 131 131 ASN CA . 19711 1 1482 . 1 1 144 144 ASN CB C 13 37.659 0.113 . 1 4 . 2 131 131 ASN CB . 19711 1 1483 . 1 1 144 144 ASN CG C 13 177.978 0.009 . 1 2 . 2 131 131 ASN CG . 19711 1 1484 . 1 1 144 144 ASN ND2 N 15 112.007 0.241 . 1 6 . 2 131 131 ASN ND2 . 19711 1 1485 . 1 1 145 145 GLY H H 1 8.545 0.01 . 1 14 . 2 132 132 GLY H . 19711 1 1486 . 1 1 145 145 GLY HA2 H 1 3.371 0.012 . 2 5 . 2 132 132 GLY HA2 . 19711 1 1487 . 1 1 145 145 GLY HA3 H 1 4.267 0.013 . 2 5 . 2 132 132 GLY HA3 . 19711 1 1488 . 1 1 145 145 GLY C C 13 173.993 0 . 1 1 . 2 132 132 GLY C . 19711 1 1489 . 1 1 145 145 GLY CA C 13 46.315 0.056 . 1 9 . 2 132 132 GLY CA . 19711 1 1490 . 1 1 145 145 GLY N N 15 104.128 0.098 . 1 13 . 2 132 132 GLY N . 19711 1 1491 . 1 1 146 146 PHE H H 1 6.113 0.007 . 1 16 . 2 133 133 PHE H . 19711 1 1492 . 1 1 146 146 PHE HA H 1 5.033 0.019 . 1 5 . 2 133 133 PHE HA . 19711 1 1493 . 1 1 146 146 PHE HB2 H 1 2.71 0.01 . 2 6 . 2 133 133 PHE HB2 . 19711 1 1494 . 1 1 146 146 PHE HB3 H 1 3.594 0.013 . 2 9 . 2 133 133 PHE HB3 . 19711 1 1495 . 1 1 146 146 PHE HD1 H 1 7.403 0.032 . 3 2 . 2 133 133 PHE HD1 . 19711 1 1496 . 1 1 146 146 PHE C C 13 173.941 0 . 1 1 . 2 133 133 PHE C . 19711 1 1497 . 1 1 146 146 PHE CA C 13 57.831 0.065 . 1 5 . 2 133 133 PHE CA . 19711 1 1498 . 1 1 146 146 PHE CB C 13 39.765 0.092 . 1 8 . 2 133 133 PHE CB . 19711 1 1499 . 1 1 146 146 PHE N N 15 117.04 0.067 . 1 15 . 2 133 133 PHE N . 19711 1 1500 . 1 1 147 147 ILE H H 1 9.591 0.008 . 1 22 . 2 134 134 ILE H . 19711 1 1501 . 1 1 147 147 ILE HA H 1 4.664 0.013 . 1 3 . 2 134 134 ILE HA . 19711 1 1502 . 1 1 147 147 ILE HB H 1 2.122 0.019 . 1 6 . 2 134 134 ILE HB . 19711 1 1503 . 1 1 147 147 ILE HG12 H 1 1.204 0.009 . 2 2 . 2 134 134 ILE HG12 . 19711 1 1504 . 1 1 147 147 ILE HG13 H 1 1.601 0.012 . 2 3 . 2 134 134 ILE HG13 . 19711 1 1505 . 1 1 147 147 ILE HG21 H 1 0.643 0.004 . 1 2 . 2 134 134 ILE MG . 19711 1 1506 . 1 1 147 147 ILE HG22 H 1 0.643 0.004 . 1 2 . 2 134 134 ILE MG . 19711 1 1507 . 1 1 147 147 ILE HG23 H 1 0.643 0.004 . 1 2 . 2 134 134 ILE MG . 19711 1 1508 . 1 1 147 147 ILE HD11 H 1 0.532 0.035 . 1 6 . 2 134 134 ILE MD . 19711 1 1509 . 1 1 147 147 ILE HD12 H 1 0.532 0.035 . 1 6 . 2 134 134 ILE MD . 19711 1 1510 . 1 1 147 147 ILE HD13 H 1 0.532 0.035 . 1 6 . 2 134 134 ILE MD . 19711 1 1511 . 1 1 147 147 ILE C C 13 173.803 0 . 1 1 . 2 134 134 ILE C . 19711 1 1512 . 1 1 147 147 ILE CA C 13 58.237 0.049 . 1 4 . 2 134 134 ILE CA . 19711 1 1513 . 1 1 147 147 ILE CB C 13 37.154 0.079 . 1 5 . 2 134 134 ILE CB . 19711 1 1514 . 1 1 147 147 ILE CG1 C 13 17.579 0 . 1 1 . 2 134 134 ILE CG1 . 19711 1 1515 . 1 1 147 147 ILE CG2 C 13 24.948 0 . 1 1 . 2 134 134 ILE CG2 . 19711 1 1516 . 1 1 147 147 ILE CD1 C 13 9.008 0.06 . 1 4 . 2 134 134 ILE CD1 . 19711 1 1517 . 1 1 147 147 ILE N N 15 122.641 0.079 . 1 21 . 2 134 134 ILE N . 19711 1 1518 . 1 1 148 148 ALA H H 1 8.325 0.012 . 1 15 . 2 135 135 ALA H . 19711 1 1519 . 1 1 148 148 ALA HA H 1 4.038 0.011 . 1 6 . 2 135 135 ALA HA . 19711 1 1520 . 1 1 148 148 ALA HB1 H 1 0.63 0.012 . 1 3 . 2 135 135 ALA MB . 19711 1 1521 . 1 1 148 148 ALA HB2 H 1 0.63 0.012 . 1 3 . 2 135 135 ALA MB . 19711 1 1522 . 1 1 148 148 ALA HB3 H 1 0.63 0.012 . 1 3 . 2 135 135 ALA MB . 19711 1 1523 . 1 1 148 148 ALA C C 13 176.011 0 . 1 1 . 2 135 135 ALA C . 19711 1 1524 . 1 1 148 148 ALA CA C 13 49.505 0.081 . 1 7 . 2 135 135 ALA CA . 19711 1 1525 . 1 1 148 148 ALA CB C 13 22.279 0.06 . 1 3 . 2 135 135 ALA CB . 19711 1 1526 . 1 1 148 148 ALA N N 15 129.027 0.093 . 1 14 . 2 135 135 ALA N . 19711 1 1527 . 1 1 149 149 SER H H 1 7.896 0.01 . 1 13 . 2 136 136 SER H . 19711 1 1528 . 1 1 149 149 SER HA H 1 4.673 0.003 . 1 4 . 2 136 136 SER HA . 19711 1 1529 . 1 1 149 149 SER HB2 H 1 3.421 0.022 . 2 3 . 2 136 136 SER HB2 . 19711 1 1530 . 1 1 149 149 SER HB3 H 1 3.7 0.012 . 2 2 . 2 136 136 SER HB3 . 19711 1 1531 . 1 1 149 149 SER C C 13 174.767 0 . 1 1 . 2 136 136 SER C . 19711 1 1532 . 1 1 149 149 SER CA C 13 56.798 0.047 . 1 4 . 2 136 136 SER CA . 19711 1 1533 . 1 1 149 149 SER CB C 13 65.756 0.15 . 1 5 . 2 136 136 SER CB . 19711 1 1534 . 1 1 149 149 SER N N 15 110.597 0.099 . 1 13 . 2 136 136 SER N . 19711 1 1535 . 1 1 150 150 ASN H H 1 7.574 0.006 . 1 10 . 2 137 137 ASN H . 19711 1 1536 . 1 1 150 150 ASN CA C 13 55.756 0 . 1 1 . 2 137 137 ASN CA . 19711 1 1537 . 1 1 150 150 ASN N N 15 125.707 0.109 . 1 10 . 2 137 137 ASN N . 19711 1 stop_ save_