data_4380 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4380 _Entry.Title ; 1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadherin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-06-30 _Entry.Accession_date 1999-07-01 _Entry.Last_release_date 2007-07-13 _Entry.Original_release_date 2007-07-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michael Overduin . . . 4380 2 Kit Tong . I. . 4380 3 Cyril Kay . M. . 4380 4 Mitsuhiko Ikura . . . 4380 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4380 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 444 4380 '15N chemical shifts' 133 4380 '1H chemical shifts' 792 4380 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 . . 2007-07-13 1999-06-30 original author . 4380 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4380 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 96271285 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Overduin, M., Tong, K. I., Kay, C. M., and Ikura, M., "1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadherin," J. Biomol. NMR 7, 173-189 (1996). ; _Citation.Title ; 1H, 15N and 13C Resonance Assignments and Monomeric Structure of the Amino-Terminal Extracellular Domain of Epithelial Cadheri ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue 3 _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 173 _Citation.Page_last 189 _Citation.Year 1996 _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 Michael Overduin . . . 4380 1 2 Kit Tong . I. . 4380 1 3 Cyril Kay . M. . 4380 1 4 Mitsuhiko Ikura . . . 4380 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_E-cadherin _Assembly.Sf_category assembly _Assembly.Sf_framecode E-cadherin _Assembly.Entry_ID 4380 _Assembly.ID 1 _Assembly.Name 'Epithelial Cadherin' _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 'fully reduced' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4380 1 stop_ 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 'E-cadherin domain 1' 1 $Ecad-1 . . . native . . . . . 4380 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID E-cadherin abbreviation 4380 1 'Epithelial Cadherin' system 4380 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'calcium-dependent cell adhesion molecule' 4380 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ecad-1 _Entity.Sf_category entity _Entity.Sf_framecode Ecad-1 _Entity.Entry_ID 4380 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Epithelial cadherin' _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 ; MRDWVIPPISCPENEKGEFP KNLVQIKSNRDKETKVFYSI TGQGADKPPVGVFIIERETG WLKVTQPLDREAIAKYILYS HAVSSNGEAVEDPMEIVITV TDQNDNRPEFTQEVFEGSVA EGAVPGTSVMKVSATDADDD VNTYNA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 146 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1SUH . "Amino-Terminal Domain Of Epithelial Cadherin In The Calcium Bound State, Nmr, 20 Structures" . . . . . 100.00 146 100.00 100.00 8.14e-102 . . . . 4380 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID E-cadherin abbreviation 4380 1 'Epithelial cadherin' common 4380 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -1 MET . 4380 1 2 0 ARG . 4380 1 3 1 ASP . 4380 1 4 2 TRP . 4380 1 5 3 VAL . 4380 1 6 4 ILE . 4380 1 7 5 PRO . 4380 1 8 6 PRO . 4380 1 9 7 ILE . 4380 1 10 8 SER . 4380 1 11 9 CYS . 4380 1 12 10 PRO . 4380 1 13 11 GLU . 4380 1 14 12 ASN . 4380 1 15 13 GLU . 4380 1 16 14 LYS . 4380 1 17 15 GLY . 4380 1 18 16 GLU . 4380 1 19 17 PHE . 4380 1 20 18 PRO . 4380 1 21 19 LYS . 4380 1 22 20 ASN . 4380 1 23 21 LEU . 4380 1 24 22 VAL . 4380 1 25 23 GLN . 4380 1 26 24 ILE . 4380 1 27 25 LYS . 4380 1 28 26 SER . 4380 1 29 27 ASN . 4380 1 30 28 ARG . 4380 1 31 29 ASP . 4380 1 32 30 LYS . 4380 1 33 31 GLU . 4380 1 34 32 THR . 4380 1 35 33 LYS . 4380 1 36 34 VAL . 4380 1 37 35 PHE . 4380 1 38 36 TYR . 4380 1 39 37 SER . 4380 1 40 38 ILE . 4380 1 41 39 THR . 4380 1 42 40 GLY . 4380 1 43 41 GLN . 4380 1 44 42 GLY . 4380 1 45 43 ALA . 4380 1 46 44 ASP . 4380 1 47 45 LYS . 4380 1 48 46 PRO . 4380 1 49 47 PRO . 4380 1 50 48 VAL . 4380 1 51 49 GLY . 4380 1 52 50 VAL . 4380 1 53 51 PHE . 4380 1 54 52 ILE . 4380 1 55 53 ILE . 4380 1 56 54 GLU . 4380 1 57 55 ARG . 4380 1 58 56 GLU . 4380 1 59 57 THR . 4380 1 60 58 GLY . 4380 1 61 59 TRP . 4380 1 62 60 LEU . 4380 1 63 61 LYS . 4380 1 64 62 VAL . 4380 1 65 63 THR . 4380 1 66 64 GLN . 4380 1 67 65 PRO . 4380 1 68 66 LEU . 4380 1 69 67 ASP . 4380 1 70 68 ARG . 4380 1 71 69 GLU . 4380 1 72 70 ALA . 4380 1 73 71 ILE . 4380 1 74 72 ALA . 4380 1 75 73 LYS . 4380 1 76 74 TYR . 4380 1 77 75 ILE . 4380 1 78 76 LEU . 4380 1 79 77 TYR . 4380 1 80 78 SER . 4380 1 81 79 HIS . 4380 1 82 80 ALA . 4380 1 83 81 VAL . 4380 1 84 82 SER . 4380 1 85 83 SER . 4380 1 86 84 ASN . 4380 1 87 85 GLY . 4380 1 88 86 GLU . 4380 1 89 87 ALA . 4380 1 90 88 VAL . 4380 1 91 89 GLU . 4380 1 92 90 ASP . 4380 1 93 91 PRO . 4380 1 94 92 MET . 4380 1 95 93 GLU . 4380 1 96 94 ILE . 4380 1 97 95 VAL . 4380 1 98 96 ILE . 4380 1 99 97 THR . 4380 1 100 98 VAL . 4380 1 101 99 THR . 4380 1 102 100 ASP . 4380 1 103 101 GLN . 4380 1 104 102 ASN . 4380 1 105 103 ASP . 4380 1 106 104 ASN . 4380 1 107 105 ARG . 4380 1 108 106 PRO . 4380 1 109 107 GLU . 4380 1 110 108 PHE . 4380 1 111 109 THR . 4380 1 112 110 GLN . 4380 1 113 111 GLU . 4380 1 114 112 VAL . 4380 1 115 113 PHE . 4380 1 116 114 GLU . 4380 1 117 115 GLY . 4380 1 118 116 SER . 4380 1 119 117 VAL . 4380 1 120 118 ALA . 4380 1 121 119 GLU . 4380 1 122 120 GLY . 4380 1 123 121 ALA . 4380 1 124 122 VAL . 4380 1 125 123 PRO . 4380 1 126 124 GLY . 4380 1 127 125 THR . 4380 1 128 126 SER . 4380 1 129 127 VAL . 4380 1 130 128 MET . 4380 1 131 129 LYS . 4380 1 132 130 VAL . 4380 1 133 131 SER . 4380 1 134 132 ALA . 4380 1 135 133 THR . 4380 1 136 134 ASP . 4380 1 137 135 ALA . 4380 1 138 136 ASP . 4380 1 139 137 ASP . 4380 1 140 138 ASP . 4380 1 141 139 VAL . 4380 1 142 140 ASN . 4380 1 143 141 THR . 4380 1 144 142 TYR . 4380 1 145 143 ASN . 4380 1 146 144 ALA . 4380 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4380 1 . ARG 2 2 4380 1 . ASP 3 3 4380 1 . TRP 4 4 4380 1 . VAL 5 5 4380 1 . ILE 6 6 4380 1 . PRO 7 7 4380 1 . PRO 8 8 4380 1 . ILE 9 9 4380 1 . SER 10 10 4380 1 . CYS 11 11 4380 1 . PRO 12 12 4380 1 . GLU 13 13 4380 1 . ASN 14 14 4380 1 . GLU 15 15 4380 1 . LYS 16 16 4380 1 . GLY 17 17 4380 1 . GLU 18 18 4380 1 . PHE 19 19 4380 1 . PRO 20 20 4380 1 . LYS 21 21 4380 1 . ASN 22 22 4380 1 . LEU 23 23 4380 1 . VAL 24 24 4380 1 . GLN 25 25 4380 1 . ILE 26 26 4380 1 . LYS 27 27 4380 1 . SER 28 28 4380 1 . ASN 29 29 4380 1 . ARG 30 30 4380 1 . ASP 31 31 4380 1 . LYS 32 32 4380 1 . GLU 33 33 4380 1 . THR 34 34 4380 1 . LYS 35 35 4380 1 . VAL 36 36 4380 1 . PHE 37 37 4380 1 . TYR 38 38 4380 1 . SER 39 39 4380 1 . ILE 40 40 4380 1 . THR 41 41 4380 1 . GLY 42 42 4380 1 . GLN 43 43 4380 1 . GLY 44 44 4380 1 . ALA 45 45 4380 1 . ASP 46 46 4380 1 . LYS 47 47 4380 1 . PRO 48 48 4380 1 . PRO 49 49 4380 1 . VAL 50 50 4380 1 . GLY 51 51 4380 1 . VAL 52 52 4380 1 . PHE 53 53 4380 1 . ILE 54 54 4380 1 . ILE 55 55 4380 1 . GLU 56 56 4380 1 . ARG 57 57 4380 1 . GLU 58 58 4380 1 . THR 59 59 4380 1 . GLY 60 60 4380 1 . TRP 61 61 4380 1 . LEU 62 62 4380 1 . LYS 63 63 4380 1 . VAL 64 64 4380 1 . THR 65 65 4380 1 . GLN 66 66 4380 1 . PRO 67 67 4380 1 . LEU 68 68 4380 1 . ASP 69 69 4380 1 . ARG 70 70 4380 1 . GLU 71 71 4380 1 . ALA 72 72 4380 1 . ILE 73 73 4380 1 . ALA 74 74 4380 1 . LYS 75 75 4380 1 . TYR 76 76 4380 1 . ILE 77 77 4380 1 . LEU 78 78 4380 1 . TYR 79 79 4380 1 . SER 80 80 4380 1 . HIS 81 81 4380 1 . ALA 82 82 4380 1 . VAL 83 83 4380 1 . SER 84 84 4380 1 . SER 85 85 4380 1 . ASN 86 86 4380 1 . GLY 87 87 4380 1 . GLU 88 88 4380 1 . ALA 89 89 4380 1 . VAL 90 90 4380 1 . GLU 91 91 4380 1 . ASP 92 92 4380 1 . PRO 93 93 4380 1 . MET 94 94 4380 1 . GLU 95 95 4380 1 . ILE 96 96 4380 1 . VAL 97 97 4380 1 . ILE 98 98 4380 1 . THR 99 99 4380 1 . VAL 100 100 4380 1 . THR 101 101 4380 1 . ASP 102 102 4380 1 . GLN 103 103 4380 1 . ASN 104 104 4380 1 . ASP 105 105 4380 1 . ASN 106 106 4380 1 . ARG 107 107 4380 1 . PRO 108 108 4380 1 . GLU 109 109 4380 1 . PHE 110 110 4380 1 . THR 111 111 4380 1 . GLN 112 112 4380 1 . GLU 113 113 4380 1 . VAL 114 114 4380 1 . PHE 115 115 4380 1 . GLU 116 116 4380 1 . GLY 117 117 4380 1 . SER 118 118 4380 1 . VAL 119 119 4380 1 . ALA 120 120 4380 1 . GLU 121 121 4380 1 . GLY 122 122 4380 1 . ALA 123 123 4380 1 . VAL 124 124 4380 1 . PRO 125 125 4380 1 . GLY 126 126 4380 1 . THR 127 127 4380 1 . SER 128 128 4380 1 . VAL 129 129 4380 1 . MET 130 130 4380 1 . LYS 131 131 4380 1 . VAL 132 132 4380 1 . SER 133 133 4380 1 . ALA 134 134 4380 1 . THR 135 135 4380 1 . ASP 136 136 4380 1 . ALA 137 137 4380 1 . ASP 138 138 4380 1 . ASP 139 139 4380 1 . ASP 140 140 4380 1 . VAL 141 141 4380 1 . ASN 142 142 4380 1 . THR 143 143 4380 1 . TYR 144 144 4380 1 . ASN 145 145 4380 1 . ALA 146 146 4380 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 4380 _Entity.ID 2 _Entity.BMRB_code CA _Entity.Name 'CALCIUM ION' _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components 1 _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 40.078 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'CALCIUM ION' BMRB 4380 2 stop_ loop_ _Entity_systematic_name.Name _Entity_systematic_name.Naming_system _Entity_systematic_name.Entry_ID _Entity_systematic_name.Entity_ID 'CALCIUM ION' BMRB 4380 2 CA 'Three letter code' 4380 2 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 CA $chem_comp_CA 4380 2 stop_ loop_ _Entity_atom_list.ID _Entity_atom_list.Comp_index_ID _Entity_atom_list.Comp_ID _Entity_atom_list.Atom_ID _Entity_atom_list.Entry_ID _Entity_atom_list.Entity_ID 1 1 CA CA 4380 2 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 4380 _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 $Ecad-1 . 10090 organism . 'Mus Musculus' 'house mouse' . . Eukaryota Metazoa Mus Musculus . . . . . . . . . . . . . . . . E-cadherin . . . . 4380 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 4380 _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 $Ecad-1 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4380 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 4380 _Chem_comp.ID CA _Chem_comp.Provenance PDB _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type NON-POLYMER _Chem_comp.BMRB_code CA _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-12-14 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all 1 _Chem_comp.Number_atoms_nh 1 _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code InChI=1S/Ca/q+2 _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details . _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 4380 CA [Ca++] SMILES CACTVS 3.341 4380 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 4380 CA [Ca+2] SMILES ACDLabs 10.04 4380 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 4380 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 4380 CA InChI=1S/Ca/q+2 InChI InChI 1.03 4380 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 4380 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 4380 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA CA CA CA . CA . . N 2 . . . 0 no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 4380 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4380 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Epithelial cadherin' '[U-13C; U-15N]' . . 1 $Ecad-1 . . . 0.1 2 mM . . . . 4380 1 2 KCl . . . . . . . 100 . . mM . . . . 4380 1 3 'perdeuterated dithiothreitol' . . . . . . . 10 . . mM . . . . 4380 1 4 'perdeuterated Tris' . . . . . . . 20 . . mM . . . . 4380 1 5 'sodium azide' . . . . . . . 50 . . uM . . . . 4380 1 6 CaCl2 . . . . . . . 10 . . mM . . . . 4380 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4380 _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* 7.2 0.1 n/a 4380 1 temperature 296 0.1 K 4380 1 stop_ save_ ############################ # Computer software used # ############################ save_Pipp _Software.Sf_category software _Software.Sf_framecode Pipp _Software.Entry_ID 4380 _Software.ID 1 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 4380 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4380 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UNITY-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4380 _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 NMR_spectrometer Varian UNITY-plus . 500 . . . 4380 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 4380 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $condition_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 4380 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4380 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1 internal cylindrical parallel_to_Bo 1 $entry_citation pH . 1 $entry_citation 4380 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4380 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; K14, G15, G124, and T125 exhibit a second set of resonances that may coorespond to a minor conformational state ; _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4380 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.047 0.01 . 1 . . . . . . . . 4380 1 2 . 1 1 1 1 MET HB2 H 1 2.125 0.01 . 1 . . . . . . . . 4380 1 3 . 1 1 1 1 MET HB3 H 1 2.125 0.01 . 1 . . . . . . . . 4380 1 4 . 1 1 1 1 MET HG2 H 1 2.611 0.01 . 1 . . . . . . . . 4380 1 5 . 1 1 1 1 MET HG3 H 1 2.611 0.01 . 1 . . . . . . . . 4380 1 6 . 1 1 1 1 MET CA C 13 55.24 0.1 . 1 . . . . . . . . 4380 1 7 . 1 1 1 1 MET CB C 13 33.48 0.1 . 1 . . . . . . . . 4380 1 8 . 1 1 1 1 MET CG C 13 30.85 0.1 . 1 . . . . . . . . 4380 1 9 . 1 1 2 2 ARG HA H 1 4.032 0.01 . 1 . . . . . . . . 4380 1 10 . 1 1 2 2 ARG HB2 H 1 1.893 0.01 . 2 . . . . . . . . 4380 1 11 . 1 1 2 2 ARG HB3 H 1 1.433 0.01 . 2 . . . . . . . . 4380 1 12 . 1 1 2 2 ARG HG2 H 1 1.705 0.01 . 2 . . . . . . . . 4380 1 13 . 1 1 2 2 ARG HD2 H 1 3.013 0.01 . 2 . . . . . . . . 4380 1 14 . 1 1 2 2 ARG C C 13 175.06 0.1 . 1 . . . . . . . . 4380 1 15 . 1 1 2 2 ARG CA C 13 55.86 0.1 . 1 . . . . . . . . 4380 1 16 . 1 1 2 2 ARG CB C 13 30.54 0.1 . 1 . . . . . . . . 4380 1 17 . 1 1 2 2 ARG CG C 13 28.81 0.1 . 1 . . . . . . . . 4380 1 18 . 1 1 3 3 ASP N N 15 122.374 0.1 . 1 . . . . . . . . 4380 1 19 . 1 1 3 3 ASP H H 1 8.4563 0.01 . 1 . . . . . . . . 4380 1 20 . 1 1 3 3 ASP HA H 1 4.6325 0.01 . 1 . . . . . . . . 4380 1 21 . 1 1 3 3 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 4380 1 22 . 1 1 3 3 ASP HB3 H 1 2.62 0.01 . 2 . . . . . . . . 4380 1 23 . 1 1 3 3 ASP C C 13 175.3 0.1 . 1 . . . . . . . . 4380 1 24 . 1 1 3 3 ASP CA C 13 54.37 0.1 . 1 . . . . . . . . 4380 1 25 . 1 1 3 3 ASP CB C 13 41.28 0.1 . 1 . . . . . . . . 4380 1 26 . 1 1 4 4 TRP N N 15 122.67 0.1 . 1 . . . . . . . . 4380 1 27 . 1 1 4 4 TRP H H 1 8.267 0.01 . 1 . . . . . . . . 4380 1 28 . 1 1 4 4 TRP HA H 1 4.734 0.01 . 1 . . . . . . . . 4380 1 29 . 1 1 4 4 TRP HB2 H 1 3.38 0.01 . 2 . . . . . . . . 4380 1 30 . 1 1 4 4 TRP HB3 H 1 3.194 0.01 . 2 . . . . . . . . 4380 1 31 . 1 1 4 4 TRP HD1 H 1 7.265 0.01 . 1 . . . . . . . . 4380 1 32 . 1 1 4 4 TRP HE1 H 1 10.0888 0.01 . 1 . . . . . . . . 4380 1 33 . 1 1 4 4 TRP HE3 H 1 7.571 0.01 . 1 . . . . . . . . 4380 1 34 . 1 1 4 4 TRP HZ2 H 1 7.338 0.01 . 1 . . . . . . . . 4380 1 35 . 1 1 4 4 TRP HZ3 H 1 6.951 0.01 . 1 . . . . . . . . 4380 1 36 . 1 1 4 4 TRP HH2 H 1 7.003 0.01 . 1 . . . . . . . . 4380 1 37 . 1 1 4 4 TRP C C 13 174.35 0.1 . 1 . . . . . . . . 4380 1 38 . 1 1 4 4 TRP CA C 13 56.63 0.1 . 1 . . . . . . . . 4380 1 39 . 1 1 4 4 TRP CB C 13 29.46 0.1 . 1 . . . . . . . . 4380 1 40 . 1 1 5 5 VAL N N 15 121.029 0.1 . 1 . . . . . . . . 4380 1 41 . 1 1 5 5 VAL H H 1 7.7952 0.01 . 1 . . . . . . . . 4380 1 42 . 1 1 5 5 VAL HA H 1 4.084 0.01 . 1 . . . . . . . . 4380 1 43 . 1 1 5 5 VAL HB H 1 1.959 0.01 . 1 . . . . . . . . 4380 1 44 . 1 1 5 5 VAL HG11 H 1 0.907 0.01 . 2 . . . . . . . . 4380 1 45 . 1 1 5 5 VAL HG12 H 1 0.907 0.01 . 2 . . . . . . . . 4380 1 46 . 1 1 5 5 VAL HG13 H 1 0.907 0.01 . 2 . . . . . . . . 4380 1 47 . 1 1 5 5 VAL HG21 H 1 0.834 0.01 . 2 . . . . . . . . 4380 1 48 . 1 1 5 5 VAL HG22 H 1 0.834 0.01 . 2 . . . . . . . . 4380 1 49 . 1 1 5 5 VAL HG23 H 1 0.834 0.01 . 2 . . . . . . . . 4380 1 50 . 1 1 5 5 VAL C C 13 174.64 0.1 . 1 . . . . . . . . 4380 1 51 . 1 1 5 5 VAL CA C 13 61.19 0.1 . 1 . . . . . . . . 4380 1 52 . 1 1 5 5 VAL CB C 13 33.92 0.1 . 1 . . . . . . . . 4380 1 53 . 1 1 6 6 ILE N N 15 125.492 0.1 . 1 . . . . . . . . 4380 1 54 . 1 1 6 6 ILE H H 1 7.9921 0.01 . 1 . . . . . . . . 4380 1 55 . 1 1 6 6 ILE HA H 1 4.482 0.01 . 1 . . . . . . . . 4380 1 56 . 1 1 6 6 ILE HB H 1 1.772 0.01 . 1 . . . . . . . . 4380 1 57 . 1 1 6 6 ILE HG12 H 1 1.366 0.01 . 2 . . . . . . . . 4380 1 58 . 1 1 6 6 ILE HG13 H 1 1.133 0.01 . 2 . . . . . . . . 4380 1 59 . 1 1 6 6 ILE HG21 H 1 0.847 0.01 . 1 . . . . . . . . 4380 1 60 . 1 1 6 6 ILE HG22 H 1 0.847 0.01 . 1 . . . . . . . . 4380 1 61 . 1 1 6 6 ILE HG23 H 1 0.847 0.01 . 1 . . . . . . . . 4380 1 62 . 1 1 6 6 ILE HD11 H 1 0.66 0.01 . 1 . . . . . . . . 4380 1 63 . 1 1 6 6 ILE HD12 H 1 0.66 0.01 . 1 . . . . . . . . 4380 1 64 . 1 1 6 6 ILE HD13 H 1 0.66 0.01 . 1 . . . . . . . . 4380 1 65 . 1 1 6 6 ILE CA C 13 57.38 0.1 . 1 . . . . . . . . 4380 1 66 . 1 1 6 6 ILE CB C 13 39.24 0.1 . 1 . . . . . . . . 4380 1 67 . 1 1 8 8 PRO C C 13 176.36 0.1 . 1 . . . . . . . . 4380 1 68 . 1 1 8 8 PRO CA C 13 62.93 0.1 . 1 . . . . . . . . 4380 1 69 . 1 1 8 8 PRO CB C 13 31.74 0.1 . 1 . . . . . . . . 4380 1 70 . 1 1 9 9 ILE N N 15 124.392 0.1 . 1 . . . . . . . . 4380 1 71 . 1 1 9 9 ILE H H 1 8.4595 0.01 . 1 . . . . . . . . 4380 1 72 . 1 1 9 9 ILE HA H 1 4.294 0.01 . 1 . . . . . . . . 4380 1 73 . 1 1 9 9 ILE HB H 1 1.865 0.01 . 1 . . . . . . . . 4380 1 74 . 1 1 9 9 ILE HG12 H 1 1.041 0.01 . 2 . . . . . . . . 4380 1 75 . 1 1 9 9 ILE HG21 H 1 0.845 0.01 . 1 . . . . . . . . 4380 1 76 . 1 1 9 9 ILE HG22 H 1 0.845 0.01 . 1 . . . . . . . . 4380 1 77 . 1 1 9 9 ILE HG23 H 1 0.845 0.01 . 1 . . . . . . . . 4380 1 78 . 1 1 9 9 ILE HD11 H 1 0.588 0.01 . 1 . . . . . . . . 4380 1 79 . 1 1 9 9 ILE HD12 H 1 0.588 0.01 . 1 . . . . . . . . 4380 1 80 . 1 1 9 9 ILE HD13 H 1 0.588 0.01 . 1 . . . . . . . . 4380 1 81 . 1 1 9 9 ILE C C 13 174.73 0.1 . 1 . . . . . . . . 4380 1 82 . 1 1 9 9 ILE CA C 13 59.85 0.1 . 1 . . . . . . . . 4380 1 83 . 1 1 9 9 ILE CB C 13 40.3 0.1 . 1 . . . . . . . . 4380 1 84 . 1 1 10 10 SER N N 15 122.18 0.1 . 1 . . . . . . . . 4380 1 85 . 1 1 10 10 SER H H 1 8.5412 0.01 . 1 . . . . . . . . 4380 1 86 . 1 1 10 10 SER HA H 1 5.464 0.01 . 1 . . . . . . . . 4380 1 87 . 1 1 10 10 SER HB2 H 1 3.727 0.01 . 2 . . . . . . . . 4380 1 88 . 1 1 10 10 SER C C 13 173.32 0.1 . 1 . . . . . . . . 4380 1 89 . 1 1 10 10 SER CA C 13 56.55 0.1 . 1 . . . . . . . . 4380 1 90 . 1 1 10 10 SER CB C 13 64.83 0.1 . 1 . . . . . . . . 4380 1 91 . 1 1 11 11 CYS N N 15 124.361 0.1 . 1 . . . . . . . . 4380 1 92 . 1 1 11 11 CYS H H 1 8.9401 0.01 . 1 . . . . . . . . 4380 1 93 . 1 1 11 11 CYS HA H 1 5.041 0.01 . 1 . . . . . . . . 4380 1 94 . 1 1 11 11 CYS HB2 H 1 2.977 0.01 . 2 . . . . . . . . 4380 1 95 . 1 1 11 11 CYS HB3 H 1 2.371 0.01 . 2 . . . . . . . . 4380 1 96 . 1 1 11 11 CYS CA C 13 55.42 0.1 . 1 . . . . . . . . 4380 1 97 . 1 1 11 11 CYS CB C 13 30.04 0.1 . 1 . . . . . . . . 4380 1 98 . 1 1 12 12 PRO HA H 1 4.694 0.01 . 1 . . . . . . . . 4380 1 99 . 1 1 12 12 PRO HB2 H 1 1.893 0.01 . 2 . . . . . . . . 4380 1 100 . 1 1 12 12 PRO HB3 H 1 1.425 0.01 . 2 . . . . . . . . 4380 1 101 . 1 1 12 12 PRO C C 13 176.95 0.1 . 1 . . . . . . . . 4380 1 102 . 1 1 12 12 PRO CA C 13 61.9 0.1 . 1 . . . . . . . . 4380 1 103 . 1 1 12 12 PRO CB C 13 32.5 0.1 . 1 . . . . . . . . 4380 1 104 . 1 1 13 13 GLU N N 15 119.256 0.1 . 1 . . . . . . . . 4380 1 105 . 1 1 13 13 GLU H H 1 8.2241 0.01 . 1 . . . . . . . . 4380 1 106 . 1 1 13 13 GLU HA H 1 4.208 0.01 . 1 . . . . . . . . 4380 1 107 . 1 1 13 13 GLU HB2 H 1 1.905 0.01 . 2 . . . . . . . . 4380 1 108 . 1 1 13 13 GLU HG2 H 1 2.211 0.01 . 2 . . . . . . . . 4380 1 109 . 1 1 13 13 GLU HG3 H 1 2.121 0.01 . 2 . . . . . . . . 4380 1 110 . 1 1 13 13 GLU C C 13 174.83 0.1 . 1 . . . . . . . . 4380 1 111 . 1 1 13 13 GLU CA C 13 55.67 0.1 . 1 . . . . . . . . 4380 1 112 . 1 1 13 13 GLU CB C 13 29.39 0.1 . 1 . . . . . . . . 4380 1 113 . 1 1 14 14 ASN N N 15 114.937 0.1 . 1 . . . . . . . . 4380 1 114 . 1 1 14 14 ASN H H 1 8.901 0.01 . 1 . . . . . . . . 4380 1 115 . 1 1 14 14 ASN HA H 1 4.359 0.01 . 1 . . . . . . . . 4380 1 116 . 1 1 14 14 ASN HB2 H 1 3.077 0.01 . 2 . . . . . . . . 4380 1 117 . 1 1 14 14 ASN HB3 H 1 2.818 0.01 . 2 . . . . . . . . 4380 1 118 . 1 1 14 14 ASN C C 13 174.15 0.1 . 1 . . . . . . . . 4380 1 119 . 1 1 14 14 ASN CA C 13 53.57 0.1 . 1 . . . . . . . . 4380 1 120 . 1 1 14 14 ASN CB C 13 37.44 0.1 . 1 . . . . . . . . 4380 1 121 . 1 1 15 15 GLU N N 15 119.337 0.1 . 1 . . . . . . . . 4380 1 122 . 1 1 15 15 GLU H H 1 8.8361 0.01 . 1 . . . . . . . . 4380 1 123 . 1 1 15 15 GLU HA H 1 4.197 0.01 . 1 . . . . . . . . 4380 1 124 . 1 1 15 15 GLU HB2 H 1 2.158 0.01 . 2 . . . . . . . . 4380 1 125 . 1 1 15 15 GLU HB3 H 1 1.988 0.01 . 2 . . . . . . . . 4380 1 126 . 1 1 15 15 GLU HG2 H 1 2.415 0.01 . 2 . . . . . . . . 4380 1 127 . 1 1 15 15 GLU HG3 H 1 2.2 0.01 . 2 . . . . . . . . 4380 1 128 . 1 1 15 15 GLU C C 13 175.78 0.1 . 1 . . . . . . . . 4380 1 129 . 1 1 15 15 GLU CA C 13 58.16 0.1 . 1 . . . . . . . . 4380 1 130 . 1 1 15 15 GLU CB C 13 30.82 0.1 . 1 . . . . . . . . 4380 1 131 . 1 1 15 15 GLU CG C 13 37.42 0.1 . 1 . . . . . . . . 4380 1 132 . 1 1 16 16 LYS N N 15 120.529 0.1 . 1 . . . . . . . . 4380 1 133 . 1 1 16 16 LYS H H 1 8.2646 0.01 . 1 . . . . . . . . 4380 1 134 . 1 1 16 16 LYS HA H 1 4.677 0.01 . 1 . . . . . . . . 4380 1 135 . 1 1 16 16 LYS HB2 H 1 1.955 0.01 . 2 . . . . . . . . 4380 1 136 . 1 1 16 16 LYS HB3 H 1 1.716 0.01 . 2 . . . . . . . . 4380 1 137 . 1 1 16 16 LYS HG2 H 1 1.485 0.01 . 2 . . . . . . . . 4380 1 138 . 1 1 16 16 LYS C C 13 176.05 0.1 . 1 . . . . . . . . 4380 1 139 . 1 1 16 16 LYS CA C 13 54.28 0.1 . 1 . . . . . . . . 4380 1 140 . 1 1 16 16 LYS CB C 13 33.94 0.1 . 1 . . . . . . . . 4380 1 141 . 1 1 17 17 GLY N N 15 108.573 0.1 . 1 . . . . . . . . 4380 1 142 . 1 1 17 17 GLY H H 1 8.1948 0.01 . 1 . . . . . . . . 4380 1 143 . 1 1 17 17 GLY HA2 H 1 3.897 0.01 . 2 . . . . . . . . 4380 1 144 . 1 1 17 17 GLY HA3 H 1 3.696 0.01 . 2 . . . . . . . . 4380 1 145 . 1 1 17 17 GLY C C 13 172.25 0.1 . 1 . . . . . . . . 4380 1 146 . 1 1 17 17 GLY CA C 13 44.33 0.1 . 1 . . . . . . . . 4380 1 147 . 1 1 18 18 GLU N N 15 120.789 0.1 . 1 . . . . . . . . 4380 1 148 . 1 1 18 18 GLU H H 1 8.1122 0.01 . 1 . . . . . . . . 4380 1 149 . 1 1 18 18 GLU HA H 1 4.253 0.01 . 1 . . . . . . . . 4380 1 150 . 1 1 18 18 GLU HB2 H 1 1.861 0.01 . 2 . . . . . . . . 4380 1 151 . 1 1 18 18 GLU HB3 H 1 1.757 0.01 . 2 . . . . . . . . 4380 1 152 . 1 1 18 18 GLU HG2 H 1 2.211 0.01 . 2 . . . . . . . . 4380 1 153 . 1 1 18 18 GLU HG3 H 1 2.111 0.01 . 2 . . . . . . . . 4380 1 154 . 1 1 18 18 GLU C C 13 174.96 0.1 . 1 . . . . . . . . 4380 1 155 . 1 1 18 18 GLU CA C 13 55.87 0.1 . 1 . . . . . . . . 4380 1 156 . 1 1 18 18 GLU CB C 13 30.23 0.1 . 1 . . . . . . . . 4380 1 157 . 1 1 18 18 GLU CG C 13 36.1 0.1 . 1 . . . . . . . . 4380 1 158 . 1 1 19 19 PHE N N 15 122.104 0.1 . 1 . . . . . . . . 4380 1 159 . 1 1 19 19 PHE H H 1 8.5254 0.01 . 1 . . . . . . . . 4380 1 160 . 1 1 19 19 PHE HA H 1 4.2196 0.01 . 1 . . . . . . . . 4380 1 161 . 1 1 19 19 PHE HB2 H 1 2.756 0.01 . 2 . . . . . . . . 4380 1 162 . 1 1 19 19 PHE HB3 H 1 2.587 0.01 . 2 . . . . . . . . 4380 1 163 . 1 1 19 19 PHE HD1 H 1 7.036 0.01 . 1 . . . . . . . . 4380 1 164 . 1 1 19 19 PHE HD2 H 1 7.036 0.01 . 1 . . . . . . . . 4380 1 165 . 1 1 19 19 PHE HE1 H 1 7.167 0.01 . 1 . . . . . . . . 4380 1 166 . 1 1 19 19 PHE HE2 H 1 7.167 0.01 . 1 . . . . . . . . 4380 1 167 . 1 1 19 19 PHE HZ H 1 7.208 0.01 . 1 . . . . . . . . 4380 1 168 . 1 1 19 19 PHE CA C 13 56.28 0.1 . 1 . . . . . . . . 4380 1 169 . 1 1 19 19 PHE CB C 13 41.09 0.1 . 1 . . . . . . . . 4380 1 170 . 1 1 20 20 PRO C C 13 175.38 0.1 . 1 . . . . . . . . 4380 1 171 . 1 1 20 20 PRO CA C 13 61.96 0.1 . 1 . . . . . . . . 4380 1 172 . 1 1 20 20 PRO CB C 13 35.59 0.1 . 1 . . . . . . . . 4380 1 173 . 1 1 21 21 LYS N N 15 120.636 0.1 . 1 . . . . . . . . 4380 1 174 . 1 1 21 21 LYS H H 1 8.7524 0.01 . 1 . . . . . . . . 4380 1 175 . 1 1 21 21 LYS HA H 1 4.589 0.01 . 1 . . . . . . . . 4380 1 176 . 1 1 21 21 LYS HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4380 1 177 . 1 1 21 21 LYS HB3 H 1 1.65 0.01 . 2 . . . . . . . . 4380 1 178 . 1 1 21 21 LYS C C 13 175.38 0.1 . 1 . . . . . . . . 4380 1 179 . 1 1 21 21 LYS CA C 13 54.66 0.1 . 1 . . . . . . . . 4380 1 180 . 1 1 21 21 LYS CB C 13 35.33 0.1 . 1 . . . . . . . . 4380 1 181 . 1 1 22 22 ASN N N 15 123.788 0.1 . 1 . . . . . . . . 4380 1 182 . 1 1 22 22 ASN H H 1 8.7541 0.01 . 1 . . . . . . . . 4380 1 183 . 1 1 22 22 ASN HA H 1 4.538 0.01 . 1 . . . . . . . . 4380 1 184 . 1 1 22 22 ASN HB2 H 1 2.41 0.01 . 2 . . . . . . . . 4380 1 185 . 1 1 22 22 ASN HB3 H 1 2.275 0.01 . 2 . . . . . . . . 4380 1 186 . 1 1 22 22 ASN C C 13 175.42 0.1 . 1 . . . . . . . . 4380 1 187 . 1 1 22 22 ASN CA C 13 53.8 0.1 . 1 . . . . . . . . 4380 1 188 . 1 1 22 22 ASN CB C 13 38.07 0.1 . 1 . . . . . . . . 4380 1 189 . 1 1 23 23 LEU N N 15 122.144 0.1 . 1 . . . . . . . . 4380 1 190 . 1 1 23 23 LEU H H 1 9.6163 0.01 . 1 . . . . . . . . 4380 1 191 . 1 1 23 23 LEU HG H 1 1.788 0.01 . 1 . . . . . . . . 4380 1 192 . 1 1 23 23 LEU C C 13 175.78 0.1 . 1 . . . . . . . . 4380 1 193 . 1 1 23 23 LEU CA C 13 55.79 0.1 . 1 . . . . . . . . 4380 1 194 . 1 1 23 23 LEU CB C 13 43.79 0.1 . 1 . . . . . . . . 4380 1 195 . 1 1 24 24 VAL N N 15 114.03 0.1 . 1 . . . . . . . . 4380 1 196 . 1 1 24 24 VAL H H 1 7.568 0.01 . 1 . . . . . . . . 4380 1 197 . 1 1 24 24 VAL HA H 1 4.454 0.01 . 1 . . . . . . . . 4380 1 198 . 1 1 24 24 VAL HB H 1 2.18 0.01 . 1 . . . . . . . . 4380 1 199 . 1 1 24 24 VAL HG11 H 1 0.833 0.01 . 2 . . . . . . . . 4380 1 200 . 1 1 24 24 VAL HG12 H 1 0.833 0.01 . 2 . . . . . . . . 4380 1 201 . 1 1 24 24 VAL HG13 H 1 0.833 0.01 . 2 . . . . . . . . 4380 1 202 . 1 1 24 24 VAL HG21 H 1 0.747 0.01 . 2 . . . . . . . . 4380 1 203 . 1 1 24 24 VAL HG22 H 1 0.747 0.01 . 2 . . . . . . . . 4380 1 204 . 1 1 24 24 VAL HG23 H 1 0.747 0.01 . 2 . . . . . . . . 4380 1 205 . 1 1 24 24 VAL C C 13 169.84 0.1 . 1 . . . . . . . . 4380 1 206 . 1 1 24 24 VAL CA C 13 60.08 0.1 . 1 . . . . . . . . 4380 1 207 . 1 1 24 24 VAL CB C 13 33.87 0.1 . 1 . . . . . . . . 4380 1 208 . 1 1 24 24 VAL CG1 C 13 20.49 0.1 . 2 . . . . . . . . 4380 1 209 . 1 1 24 24 VAL CG2 C 13 19.9 0.1 . 2 . . . . . . . . 4380 1 210 . 1 1 25 25 GLN N N 15 127.72 0.1 . 1 . . . . . . . . 4380 1 211 . 1 1 25 25 GLN H H 1 8.0687 0.01 . 1 . . . . . . . . 4380 1 212 . 1 1 25 25 GLN HA H 1 3.811 0.01 . 1 . . . . . . . . 4380 1 213 . 1 1 25 25 GLN HB2 H 1 1.117 0.01 . 2 . . . . . . . . 4380 1 214 . 1 1 25 25 GLN HG2 H 1 0.74 0.01 . 2 . . . . . . . . 4380 1 215 . 1 1 25 25 GLN HG3 H 1 -1.082 0.01 . 2 . . . . . . . . 4380 1 216 . 1 1 25 25 GLN C C 13 174.19 0.1 . 1 . . . . . . . . 4380 1 217 . 1 1 25 25 GLN CA C 13 53.47 0.1 . 1 . . . . . . . . 4380 1 218 . 1 1 25 25 GLN CB C 13 27.21 0.1 . 1 . . . . . . . . 4380 1 219 . 1 1 26 26 ILE N N 15 130.685 0.1 . 1 . . . . . . . . 4380 1 220 . 1 1 26 26 ILE H H 1 8.2715 0.01 . 1 . . . . . . . . 4380 1 221 . 1 1 26 26 ILE HA H 1 3.733 0.01 . 1 . . . . . . . . 4380 1 222 . 1 1 26 26 ILE HB H 1 1.562 0.01 . 1 . . . . . . . . 4380 1 223 . 1 1 26 26 ILE HG12 H 1 1.142 0.01 . 2 . . . . . . . . 4380 1 224 . 1 1 26 26 ILE HG13 H 1 1.005 0.01 . 2 . . . . . . . . 4380 1 225 . 1 1 26 26 ILE HG21 H 1 0.646 0.01 . 1 . . . . . . . . 4380 1 226 . 1 1 26 26 ILE HG22 H 1 0.646 0.01 . 1 . . . . . . . . 4380 1 227 . 1 1 26 26 ILE HG23 H 1 0.646 0.01 . 1 . . . . . . . . 4380 1 228 . 1 1 26 26 ILE HD11 H 1 0.58 0.01 . 1 . . . . . . . . 4380 1 229 . 1 1 26 26 ILE HD12 H 1 0.58 0.01 . 1 . . . . . . . . 4380 1 230 . 1 1 26 26 ILE HD13 H 1 0.58 0.01 . 1 . . . . . . . . 4380 1 231 . 1 1 26 26 ILE C C 13 173.34 0.1 . 1 . . . . . . . . 4380 1 232 . 1 1 26 26 ILE CA C 13 60.15 0.1 . 1 . . . . . . . . 4380 1 233 . 1 1 26 26 ILE CB C 13 36.25 0.1 . 1 . . . . . . . . 4380 1 234 . 1 1 26 26 ILE CD1 C 13 12.224 0.1 . 1 . . . . . . . . 4380 1 235 . 1 1 27 27 LYS N N 15 122.618 0.1 . 1 . . . . . . . . 4380 1 236 . 1 1 27 27 LYS H H 1 7.531 0.01 . 1 . . . . . . . . 4380 1 237 . 1 1 27 27 LYS HA H 1 4.412 0.01 . 1 . . . . . . . . 4380 1 238 . 1 1 27 27 LYS HB2 H 1 1.529 0.01 . 2 . . . . . . . . 4380 1 239 . 1 1 27 27 LYS HB3 H 1 1.291 0.01 . 2 . . . . . . . . 4380 1 240 . 1 1 27 27 LYS HG2 H 1 1.075 0.01 . 2 . . . . . . . . 4380 1 241 . 1 1 27 27 LYS HE2 H 1 2.803 0.01 . 2 . . . . . . . . 4380 1 242 . 1 1 27 27 LYS C C 13 175.22 0.1 . 1 . . . . . . . . 4380 1 243 . 1 1 27 27 LYS CA C 13 54.57 0.1 . 1 . . . . . . . . 4380 1 244 . 1 1 27 27 LYS CB C 13 35.41 0.1 . 1 . . . . . . . . 4380 1 245 . 1 1 28 28 SER N N 15 118.58 0.1 . 1 . . . . . . . . 4380 1 246 . 1 1 28 28 SER H H 1 8.3417 0.01 . 1 . . . . . . . . 4380 1 247 . 1 1 28 28 SER HA H 1 4.584 0.01 . 1 . . . . . . . . 4380 1 248 . 1 1 28 28 SER HB2 H 1 3.629 0.01 . 2 . . . . . . . . 4380 1 249 . 1 1 28 28 SER HB3 H 1 3.513 0.01 . 2 . . . . . . . . 4380 1 250 . 1 1 28 28 SER C C 13 175.32 0.1 . 1 . . . . . . . . 4380 1 251 . 1 1 28 28 SER CA C 13 56.73 0.1 . 1 . . . . . . . . 4380 1 252 . 1 1 28 28 SER CB C 13 64.06 0.1 . 1 . . . . . . . . 4380 1 253 . 1 1 29 29 ASN N N 15 125.492 0.1 . 1 . . . . . . . . 4380 1 254 . 1 1 29 29 ASN H H 1 9.0877 0.01 . 1 . . . . . . . . 4380 1 255 . 1 1 29 29 ASN HA H 1 4.592 0.01 . 1 . . . . . . . . 4380 1 256 . 1 1 29 29 ASN HB2 H 1 2.774 0.01 . 2 . . . . . . . . 4380 1 257 . 1 1 29 29 ASN C C 13 175.87 0.1 . 1 . . . . . . . . 4380 1 258 . 1 1 29 29 ASN CA C 13 54.05 0.1 . 1 . . . . . . . . 4380 1 259 . 1 1 29 29 ASN CB C 13 38.08 0.1 . 1 . . . . . . . . 4380 1 260 . 1 1 30 30 ARG N N 15 120.596 0.1 . 1 . . . . . . . . 4380 1 261 . 1 1 30 30 ARG H H 1 8.3685 0.01 . 1 . . . . . . . . 4380 1 262 . 1 1 30 30 ARG HA H 1 4.259 0.01 . 1 . . . . . . . . 4380 1 263 . 1 1 30 30 ARG HB2 H 1 1.831 0.01 . 2 . . . . . . . . 4380 1 264 . 1 1 30 30 ARG HG2 H 1 1.56 0.01 . 2 . . . . . . . . 4380 1 265 . 1 1 30 30 ARG HD2 H 1 3.122 0.01 . 2 . . . . . . . . 4380 1 266 . 1 1 30 30 ARG C C 13 175.92 0.1 . 1 . . . . . . . . 4380 1 267 . 1 1 30 30 ARG CA C 13 55.8 0.1 . 1 . . . . . . . . 4380 1 268 . 1 1 30 30 ARG CB C 13 29.19 0.1 . 1 . . . . . . . . 4380 1 269 . 1 1 31 31 ASP N N 15 120.059 0.1 . 1 . . . . . . . . 4380 1 270 . 1 1 31 31 ASP H H 1 7.8975 0.01 . 1 . . . . . . . . 4380 1 271 . 1 1 31 31 ASP HA H 1 4.258 0.01 . 1 . . . . . . . . 4380 1 272 . 1 1 31 31 ASP HB2 H 1 2.916 0.01 . 2 . . . . . . . . 4380 1 273 . 1 1 31 31 ASP HB3 H 1 2.594 0.01 . 2 . . . . . . . . 4380 1 274 . 1 1 31 31 ASP C C 13 176.65 0.1 . 1 . . . . . . . . 4380 1 275 . 1 1 31 31 ASP CA C 13 54.4 0.1 . 1 . . . . . . . . 4380 1 276 . 1 1 31 31 ASP CB C 13 40.43 0.1 . 1 . . . . . . . . 4380 1 277 . 1 1 32 32 LYS N N 15 119.115 0.1 . 1 . . . . . . . . 4380 1 278 . 1 1 32 32 LYS H H 1 7.7625 0.01 . 1 . . . . . . . . 4380 1 279 . 1 1 32 32 LYS HA H 1 4.2204 0.01 . 1 . . . . . . . . 4380 1 280 . 1 1 32 32 LYS HB2 H 1 1.839 0.01 . 2 . . . . . . . . 4380 1 281 . 1 1 32 32 LYS HB3 H 1 1.686 0.01 . 2 . . . . . . . . 4380 1 282 . 1 1 32 32 LYS HG2 H 1 1.478 0.01 . 2 . . . . . . . . 4380 1 283 . 1 1 32 32 LYS HG3 H 1 1.383 0.01 . 2 . . . . . . . . 4380 1 284 . 1 1 32 32 LYS HE2 H 1 3.019 0.01 . 2 . . . . . . . . 4380 1 285 . 1 1 32 32 LYS C C 13 177.08 0.1 . 1 . . . . . . . . 4380 1 286 . 1 1 32 32 LYS CA C 13 56.79 0.1 . 1 . . . . . . . . 4380 1 287 . 1 1 32 32 LYS CB C 13 32.35 0.1 . 1 . . . . . . . . 4380 1 288 . 1 1 33 33 GLU N N 15 118.69 0.1 . 1 . . . . . . . . 4380 1 289 . 1 1 33 33 GLU H H 1 8.125 0.01 . 1 . . . . . . . . 4380 1 290 . 1 1 33 33 GLU HA H 1 4.318 0.01 . 1 . . . . . . . . 4380 1 291 . 1 1 33 33 GLU HB2 H 1 2.091 0.01 . 2 . . . . . . . . 4380 1 292 . 1 1 33 33 GLU HB3 H 1 1.981 0.01 . 2 . . . . . . . . 4380 1 293 . 1 1 33 33 GLU HG2 H 1 2.214 0.01 . 1 . . . . . . . . 4380 1 294 . 1 1 33 33 GLU HG3 H 1 2.214 0.01 . 1 . . . . . . . . 4380 1 295 . 1 1 33 33 GLU C C 13 175.71 0.1 . 1 . . . . . . . . 4380 1 296 . 1 1 33 33 GLU CA C 13 56.53 0.1 . 1 . . . . . . . . 4380 1 297 . 1 1 33 33 GLU CB C 13 30.7 0.1 . 1 . . . . . . . . 4380 1 298 . 1 1 33 33 GLU CG C 13 35.91 0.1 . 1 . . . . . . . . 4380 1 299 . 1 1 34 34 THR N N 15 115.777 0.1 . 1 . . . . . . . . 4380 1 300 . 1 1 34 34 THR H H 1 7.7578 0.01 . 1 . . . . . . . . 4380 1 301 . 1 1 34 34 THR HA H 1 4.33 0.01 . 1 . . . . . . . . 4380 1 302 . 1 1 34 34 THR HB H 1 3.968 0.01 . 1 . . . . . . . . 4380 1 303 . 1 1 34 34 THR HG21 H 1 0.983 0.01 . 1 . . . . . . . . 4380 1 304 . 1 1 34 34 THR HG22 H 1 0.983 0.01 . 1 . . . . . . . . 4380 1 305 . 1 1 34 34 THR HG23 H 1 0.983 0.01 . 1 . . . . . . . . 4380 1 306 . 1 1 34 34 THR C C 13 171.6 0.1 . 1 . . . . . . . . 4380 1 307 . 1 1 34 34 THR CA C 13 60.25 0.1 . 1 . . . . . . . . 4380 1 308 . 1 1 34 34 THR CB C 13 69.92 0.1 . 1 . . . . . . . . 4380 1 309 . 1 1 35 35 LYS N N 15 124.762 0.1 . 1 . . . . . . . . 4380 1 310 . 1 1 35 35 LYS H H 1 7.9303 0.01 . 1 . . . . . . . . 4380 1 311 . 1 1 35 35 LYS HA H 1 4.216 0.01 . 1 . . . . . . . . 4380 1 312 . 1 1 35 35 LYS HB2 H 1 1.662 0.01 . 2 . . . . . . . . 4380 1 313 . 1 1 35 35 LYS HG2 H 1 1.157 0.01 . 2 . . . . . . . . 4380 1 314 . 1 1 35 35 LYS HG3 H 1 1.054 0.01 . 2 . . . . . . . . 4380 1 315 . 1 1 35 35 LYS C C 13 174.91 0.1 . 1 . . . . . . . . 4380 1 316 . 1 1 35 35 LYS CA C 13 56.04 0.1 . 1 . . . . . . . . 4380 1 317 . 1 1 35 35 LYS CB C 13 32.06 0.1 . 1 . . . . . . . . 4380 1 318 . 1 1 36 36 VAL N N 15 124.637 0.1 . 1 . . . . . . . . 4380 1 319 . 1 1 36 36 VAL H H 1 7.7925 0.01 . 1 . . . . . . . . 4380 1 320 . 1 1 36 36 VAL HA H 1 4.257 0.01 . 1 . . . . . . . . 4380 1 321 . 1 1 36 36 VAL HB H 1 1.522 0.01 . 1 . . . . . . . . 4380 1 322 . 1 1 36 36 VAL HG11 H 1 0.552 0.01 . 2 . . . . . . . . 4380 1 323 . 1 1 36 36 VAL HG12 H 1 0.552 0.01 . 2 . . . . . . . . 4380 1 324 . 1 1 36 36 VAL HG13 H 1 0.552 0.01 . 2 . . . . . . . . 4380 1 325 . 1 1 36 36 VAL HG21 H 1 0.289 0.01 . 2 . . . . . . . . 4380 1 326 . 1 1 36 36 VAL HG22 H 1 0.289 0.01 . 2 . . . . . . . . 4380 1 327 . 1 1 36 36 VAL HG23 H 1 0.289 0.01 . 2 . . . . . . . . 4380 1 328 . 1 1 36 36 VAL C C 13 172.73 0.1 . 1 . . . . . . . . 4380 1 329 . 1 1 36 36 VAL CA C 13 60.09 0.1 . 1 . . . . . . . . 4380 1 330 . 1 1 36 36 VAL CB C 13 34.06 0.1 . 1 . . . . . . . . 4380 1 331 . 1 1 36 36 VAL CG1 C 13 21.51 0.1 . 2 . . . . . . . . 4380 1 332 . 1 1 36 36 VAL CG2 C 13 22.52 0.1 . 2 . . . . . . . . 4380 1 333 . 1 1 37 37 PHE N N 15 122.836 0.1 . 1 . . . . . . . . 4380 1 334 . 1 1 37 37 PHE H H 1 8.8536 0.01 . 1 . . . . . . . . 4380 1 335 . 1 1 37 37 PHE HA H 1 5.041 0.01 . 1 . . . . . . . . 4380 1 336 . 1 1 37 37 PHE HB2 H 1 2.86 0.01 . 2 . . . . . . . . 4380 1 337 . 1 1 37 37 PHE HB3 H 1 2.584 0.01 . 2 . . . . . . . . 4380 1 338 . 1 1 37 37 PHE HD1 H 1 7.028 0.01 . 1 . . . . . . . . 4380 1 339 . 1 1 37 37 PHE HD2 H 1 7.028 0.01 . 1 . . . . . . . . 4380 1 340 . 1 1 37 37 PHE HE1 H 1 7.117 0.01 . 1 . . . . . . . . 4380 1 341 . 1 1 37 37 PHE HE2 H 1 7.117 0.01 . 1 . . . . . . . . 4380 1 342 . 1 1 37 37 PHE HZ H 1 6.905 0.01 . 1 . . . . . . . . 4380 1 343 . 1 1 37 37 PHE C C 13 175.41 0.1 . 1 . . . . . . . . 4380 1 344 . 1 1 37 37 PHE CA C 13 54.99 0.1 . 1 . . . . . . . . 4380 1 345 . 1 1 37 37 PHE CB C 13 41.03 0.1 . 1 . . . . . . . . 4380 1 346 . 1 1 38 38 TYR N N 15 122.469 0.1 . 1 . . . . . . . . 4380 1 347 . 1 1 38 38 TYR H H 1 9.492 0.01 . 1 . . . . . . . . 4380 1 348 . 1 1 38 38 TYR HA H 1 5.6574 0.01 . 1 . . . . . . . . 4380 1 349 . 1 1 38 38 TYR HB2 H 1 3.034 0.01 . 2 . . . . . . . . 4380 1 350 . 1 1 38 38 TYR HB3 H 1 2.763 0.01 . 2 . . . . . . . . 4380 1 351 . 1 1 38 38 TYR HD1 H 1 7.058 0.01 . 1 . . . . . . . . 4380 1 352 . 1 1 38 38 TYR HD2 H 1 7.058 0.01 . 1 . . . . . . . . 4380 1 353 . 1 1 38 38 TYR HE1 H 1 6.49 0.01 . 1 . . . . . . . . 4380 1 354 . 1 1 38 38 TYR HE2 H 1 6.49 0.01 . 1 . . . . . . . . 4380 1 355 . 1 1 38 38 TYR C C 13 175.7 0.1 . 1 . . . . . . . . 4380 1 356 . 1 1 38 38 TYR CA C 13 58.01 0.1 . 1 . . . . . . . . 4380 1 357 . 1 1 38 38 TYR CB C 13 41.59 0.1 . 1 . . . . . . . . 4380 1 358 . 1 1 39 39 SER N N 15 114.047 0.1 . 1 . . . . . . . . 4380 1 359 . 1 1 39 39 SER H H 1 8.7987 0.01 . 1 . . . . . . . . 4380 1 360 . 1 1 39 39 SER HA H 1 4.77 0.01 . 1 . . . . . . . . 4380 1 361 . 1 1 39 39 SER HB2 H 1 3.954 0.01 . 2 . . . . . . . . 4380 1 362 . 1 1 39 39 SER HB3 H 1 3.927 0.01 . 2 . . . . . . . . 4380 1 363 . 1 1 39 39 SER C C 13 172.74 0.1 . 1 . . . . . . . . 4380 1 364 . 1 1 39 39 SER CA C 13 57.26 0.1 . 1 . . . . . . . . 4380 1 365 . 1 1 39 39 SER CB C 13 65.63 0.1 . 1 . . . . . . . . 4380 1 366 . 1 1 40 40 ILE N N 15 114.769 0.1 . 1 . . . . . . . . 4380 1 367 . 1 1 40 40 ILE H H 1 8.6398 0.01 . 1 . . . . . . . . 4380 1 368 . 1 1 40 40 ILE HA H 1 6.086 0.01 . 1 . . . . . . . . 4380 1 369 . 1 1 40 40 ILE HB H 1 1.599 0.01 . 1 . . . . . . . . 4380 1 370 . 1 1 40 40 ILE C C 13 174.64 0.1 . 1 . . . . . . . . 4380 1 371 . 1 1 40 40 ILE CA C 13 58.25 0.1 . 1 . . . . . . . . 4380 1 372 . 1 1 40 40 ILE CB C 13 43.81 0.1 . 1 . . . . . . . . 4380 1 373 . 1 1 41 41 THR N N 15 114.368 0.1 . 1 . . . . . . . . 4380 1 374 . 1 1 41 41 THR H H 1 9.3532 0.01 . 1 . . . . . . . . 4380 1 375 . 1 1 41 41 THR HA H 1 4.945 0.01 . 1 . . . . . . . . 4380 1 376 . 1 1 41 41 THR HB H 1 4.57 0.01 . 1 . . . . . . . . 4380 1 377 . 1 1 41 41 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 378 . 1 1 41 41 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 379 . 1 1 41 41 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 380 . 1 1 41 41 THR C C 13 172.73 0.1 . 1 . . . . . . . . 4380 1 381 . 1 1 41 41 THR CA C 13 59.18 0.1 . 1 . . . . . . . . 4380 1 382 . 1 1 41 41 THR CB C 13 72.43 0.1 . 1 . . . . . . . . 4380 1 383 . 1 1 42 42 GLY N N 15 108.057 0.1 . 1 . . . . . . . . 4380 1 384 . 1 1 42 42 GLY H H 1 9.5333 0.01 . 1 . . . . . . . . 4380 1 385 . 1 1 42 42 GLY HA2 H 1 5.188 0.01 . 2 . . . . . . . . 4380 1 386 . 1 1 42 42 GLY HA3 H 1 4.075 0.01 . 2 . . . . . . . . 4380 1 387 . 1 1 42 42 GLY C C 13 174.84 0.1 . 1 . . . . . . . . 4380 1 388 . 1 1 42 42 GLY CA C 13 43.25 0.1 . 1 . . . . . . . . 4380 1 389 . 1 1 43 43 GLN N N 15 123.778 0.1 . 1 . . . . . . . . 4380 1 390 . 1 1 43 43 GLN H H 1 8.9627 0.01 . 1 . . . . . . . . 4380 1 391 . 1 1 43 43 GLN HA H 1 3.984 0.01 . 1 . . . . . . . . 4380 1 392 . 1 1 43 43 GLN HB2 H 1 2.391 0.01 . 1 . . . . . . . . 4380 1 393 . 1 1 43 43 GLN HB3 H 1 2.391 0.01 . 1 . . . . . . . . 4380 1 394 . 1 1 43 43 GLN HG2 H 1 2.707 0.01 . 1 . . . . . . . . 4380 1 395 . 1 1 43 43 GLN HG3 H 1 2.707 0.01 . 1 . . . . . . . . 4380 1 396 . 1 1 43 43 GLN C C 13 174.88 0.1 . 1 . . . . . . . . 4380 1 397 . 1 1 43 43 GLN CA C 13 57.65 0.1 . 1 . . . . . . . . 4380 1 398 . 1 1 43 43 GLN CB C 13 28.16 0.1 . 1 . . . . . . . . 4380 1 399 . 1 1 44 44 GLY N N 15 114.34 0.1 . 1 . . . . . . . . 4380 1 400 . 1 1 44 44 GLY H H 1 7.9644 0.01 . 1 . . . . . . . . 4380 1 401 . 1 1 44 44 GLY HA2 H 1 4.25 0.01 . 2 . . . . . . . . 4380 1 402 . 1 1 44 44 GLY C C 13 172.32 0.1 . 1 . . . . . . . . 4380 1 403 . 1 1 44 44 GLY CA C 13 45.15 0.1 . 1 . . . . . . . . 4380 1 404 . 1 1 45 45 ALA N N 15 124.278 0.1 . 1 . . . . . . . . 4380 1 405 . 1 1 45 45 ALA H H 1 8.5204 0.01 . 1 . . . . . . . . 4380 1 406 . 1 1 45 45 ALA HA H 1 5.2935 0.01 . 1 . . . . . . . . 4380 1 407 . 1 1 45 45 ALA HB1 H 1 1.349 0.01 . 1 . . . . . . . . 4380 1 408 . 1 1 45 45 ALA HB2 H 1 1.349 0.01 . 1 . . . . . . . . 4380 1 409 . 1 1 45 45 ALA HB3 H 1 1.349 0.01 . 1 . . . . . . . . 4380 1 410 . 1 1 45 45 ALA C C 13 175.22 0.1 . 1 . . . . . . . . 4380 1 411 . 1 1 45 45 ALA CA C 13 51.51 0.1 . 1 . . . . . . . . 4380 1 412 . 1 1 45 45 ALA CB C 13 18.81 0.1 . 1 . . . . . . . . 4380 1 413 . 1 1 46 46 ASP N N 15 117.849 0.1 . 1 . . . . . . . . 4380 1 414 . 1 1 46 46 ASP H H 1 9.0885 0.01 . 1 . . . . . . . . 4380 1 415 . 1 1 46 46 ASP HA H 1 4.797 0.01 . 1 . . . . . . . . 4380 1 416 . 1 1 46 46 ASP HB2 H 1 3.001 0.01 . 2 . . . . . . . . 4380 1 417 . 1 1 46 46 ASP HB3 H 1 2.876 0.01 . 2 . . . . . . . . 4380 1 418 . 1 1 46 46 ASP C C 13 175.1 0.1 . 1 . . . . . . . . 4380 1 419 . 1 1 46 46 ASP CA C 13 53.43 0.1 . 1 . . . . . . . . 4380 1 420 . 1 1 46 46 ASP CB C 13 40.21 0.1 . 1 . . . . . . . . 4380 1 421 . 1 1 47 47 LYS N N 15 122.817 0.1 . 1 . . . . . . . . 4380 1 422 . 1 1 47 47 LYS H H 1 7.8526 0.01 . 1 . . . . . . . . 4380 1 423 . 1 1 47 47 LYS HA H 1 4.884 0.01 . 1 . . . . . . . . 4380 1 424 . 1 1 47 47 LYS HB2 H 1 2.009 0.01 . 2 . . . . . . . . 4380 1 425 . 1 1 47 47 LYS HG2 H 1 1.349 0.01 . 2 . . . . . . . . 4380 1 426 . 1 1 47 47 LYS HG3 H 1 1.3 0.01 . 2 . . . . . . . . 4380 1 427 . 1 1 47 47 LYS CA C 13 52.31 0.1 . 1 . . . . . . . . 4380 1 428 . 1 1 47 47 LYS CB C 13 32.68 0.1 . 1 . . . . . . . . 4380 1 429 . 1 1 49 49 PRO C C 13 174 0.1 . 1 . . . . . . . . 4380 1 430 . 1 1 49 49 PRO CA C 13 61.84 0.1 . 1 . . . . . . . . 4380 1 431 . 1 1 49 49 PRO CB C 13 32.63 0.1 . 1 . . . . . . . . 4380 1 432 . 1 1 50 50 VAL N N 15 124.057 0.1 . 1 . . . . . . . . 4380 1 433 . 1 1 50 50 VAL H H 1 8.2283 0.01 . 1 . . . . . . . . 4380 1 434 . 1 1 50 50 VAL HA H 1 3.461 0.01 . 1 . . . . . . . . 4380 1 435 . 1 1 50 50 VAL HB H 1 1.899 0.01 . 1 . . . . . . . . 4380 1 436 . 1 1 50 50 VAL HG11 H 1 0.899 0.01 . 2 . . . . . . . . 4380 1 437 . 1 1 50 50 VAL HG12 H 1 0.899 0.01 . 2 . . . . . . . . 4380 1 438 . 1 1 50 50 VAL HG13 H 1 0.899 0.01 . 2 . . . . . . . . 4380 1 439 . 1 1 50 50 VAL HG21 H 1 0.803 0.01 . 2 . . . . . . . . 4380 1 440 . 1 1 50 50 VAL HG22 H 1 0.803 0.01 . 2 . . . . . . . . 4380 1 441 . 1 1 50 50 VAL HG23 H 1 0.803 0.01 . 2 . . . . . . . . 4380 1 442 . 1 1 50 50 VAL C C 13 179.52 0.1 . 1 . . . . . . . . 4380 1 443 . 1 1 50 50 VAL CA C 13 62.84 0.1 . 1 . . . . . . . . 4380 1 444 . 1 1 50 50 VAL CB C 13 32.17 0.1 . 1 . . . . . . . . 4380 1 445 . 1 1 50 50 VAL CG1 C 13 19.36 0.1 . 2 . . . . . . . . 4380 1 446 . 1 1 51 51 GLY N N 15 112.096 0.1 . 1 . . . . . . . . 4380 1 447 . 1 1 51 51 GLY H H 1 9.1571 0.01 . 1 . . . . . . . . 4380 1 448 . 1 1 51 51 GLY HA2 H 1 3.862 0.01 . 2 . . . . . . . . 4380 1 449 . 1 1 51 51 GLY HA3 H 1 3.607 0.01 . 2 . . . . . . . . 4380 1 450 . 1 1 51 51 GLY C C 13 173.91 0.1 . 1 . . . . . . . . 4380 1 451 . 1 1 51 51 GLY CA C 13 45.76 0.1 . 1 . . . . . . . . 4380 1 452 . 1 1 52 52 VAL N N 15 125.111 0.1 . 1 . . . . . . . . 4380 1 453 . 1 1 52 52 VAL H H 1 7.6529 0.01 . 1 . . . . . . . . 4380 1 454 . 1 1 52 52 VAL HA H 1 3.021 0.01 . 1 . . . . . . . . 4380 1 455 . 1 1 52 52 VAL HB H 1 1.974 0.01 . 1 . . . . . . . . 4380 1 456 . 1 1 52 52 VAL HG11 H 1 0.733 0.01 . 2 . . . . . . . . 4380 1 457 . 1 1 52 52 VAL HG12 H 1 0.733 0.01 . 2 . . . . . . . . 4380 1 458 . 1 1 52 52 VAL HG13 H 1 0.733 0.01 . 2 . . . . . . . . 4380 1 459 . 1 1 52 52 VAL HG21 H 1 -0.019 0.01 . 2 . . . . . . . . 4380 1 460 . 1 1 52 52 VAL HG22 H 1 -0.019 0.01 . 2 . . . . . . . . 4380 1 461 . 1 1 52 52 VAL HG23 H 1 -0.019 0.01 . 2 . . . . . . . . 4380 1 462 . 1 1 52 52 VAL C C 13 173.93 0.1 . 1 . . . . . . . . 4380 1 463 . 1 1 52 52 VAL CA C 13 66.25 0.1 . 1 . . . . . . . . 4380 1 464 . 1 1 52 52 VAL CB C 13 31.14 0.1 . 1 . . . . . . . . 4380 1 465 . 1 1 52 52 VAL CG1 C 13 22.62 0.1 . 2 . . . . . . . . 4380 1 466 . 1 1 52 52 VAL CG2 C 13 22 0.1 . 2 . . . . . . . . 4380 1 467 . 1 1 53 53 PHE N N 15 115.912 0.1 . 1 . . . . . . . . 4380 1 468 . 1 1 53 53 PHE H H 1 8.3465 0.01 . 1 . . . . . . . . 4380 1 469 . 1 1 53 53 PHE HA H 1 5.506 0.01 . 1 . . . . . . . . 4380 1 470 . 1 1 53 53 PHE HB2 H 1 2.72 0.01 . 2 . . . . . . . . 4380 1 471 . 1 1 53 53 PHE HB3 H 1 2.211 0.01 . 2 . . . . . . . . 4380 1 472 . 1 1 53 53 PHE HD1 H 1 6.742 0.01 . 1 . . . . . . . . 4380 1 473 . 1 1 53 53 PHE HD2 H 1 6.742 0.01 . 1 . . . . . . . . 4380 1 474 . 1 1 53 53 PHE HE1 H 1 6.106 0.01 . 1 . . . . . . . . 4380 1 475 . 1 1 53 53 PHE HE2 H 1 6.106 0.01 . 1 . . . . . . . . 4380 1 476 . 1 1 53 53 PHE HZ H 1 6.452 0.01 . 1 . . . . . . . . 4380 1 477 . 1 1 53 53 PHE C C 13 174.76 0.1 . 1 . . . . . . . . 4380 1 478 . 1 1 53 53 PHE CA C 13 55.26 0.1 . 1 . . . . . . . . 4380 1 479 . 1 1 53 53 PHE CB C 13 41.84 0.1 . 1 . . . . . . . . 4380 1 480 . 1 1 54 54 ILE N N 15 113.984 0.1 . 1 . . . . . . . . 4380 1 481 . 1 1 54 54 ILE H H 1 8.6102 0.01 . 1 . . . . . . . . 4380 1 482 . 1 1 54 54 ILE HA H 1 4.726 0.01 . 1 . . . . . . . . 4380 1 483 . 1 1 54 54 ILE HB H 1 1.897 0.01 . 1 . . . . . . . . 4380 1 484 . 1 1 54 54 ILE HG12 H 1 0.863 0.01 . 2 . . . . . . . . 4380 1 485 . 1 1 54 54 ILE HG21 H 1 0.799 0.01 . 1 . . . . . . . . 4380 1 486 . 1 1 54 54 ILE HG22 H 1 0.799 0.01 . 1 . . . . . . . . 4380 1 487 . 1 1 54 54 ILE HG23 H 1 0.799 0.01 . 1 . . . . . . . . 4380 1 488 . 1 1 54 54 ILE C C 13 172.99 0.1 . 1 . . . . . . . . 4380 1 489 . 1 1 54 54 ILE CA C 13 58.39 0.1 . 1 . . . . . . . . 4380 1 490 . 1 1 54 54 ILE CB C 13 42.48 0.1 . 1 . . . . . . . . 4380 1 491 . 1 1 55 55 ILE N N 15 121.239 0.1 . 1 . . . . . . . . 4380 1 492 . 1 1 55 55 ILE H H 1 8.773 0.01 . 1 . . . . . . . . 4380 1 493 . 1 1 55 55 ILE HA H 1 5.6058 0.01 . 1 . . . . . . . . 4380 1 494 . 1 1 55 55 ILE HB H 1 1.912 0.01 . 1 . . . . . . . . 4380 1 495 . 1 1 55 55 ILE HG12 H 1 1.093 0.01 . 2 . . . . . . . . 4380 1 496 . 1 1 55 55 ILE HG21 H 1 0.849 0.01 . 1 . . . . . . . . 4380 1 497 . 1 1 55 55 ILE HG22 H 1 0.849 0.01 . 1 . . . . . . . . 4380 1 498 . 1 1 55 55 ILE HG23 H 1 0.849 0.01 . 1 . . . . . . . . 4380 1 499 . 1 1 55 55 ILE C C 13 173.55 0.1 . 1 . . . . . . . . 4380 1 500 . 1 1 55 55 ILE CA C 13 57.69 0.1 . 1 . . . . . . . . 4380 1 501 . 1 1 55 55 ILE CB C 13 43.12 0.1 . 1 . . . . . . . . 4380 1 502 . 1 1 55 55 ILE CG1 C 13 16.89 0.1 . 1 . . . . . . . . 4380 1 503 . 1 1 56 56 GLU N N 15 129.878 0.1 . 1 . . . . . . . . 4380 1 504 . 1 1 56 56 GLU H H 1 8.5599 0.01 . 1 . . . . . . . . 4380 1 505 . 1 1 56 56 GLU HA H 1 4.4837 0.01 . 1 . . . . . . . . 4380 1 506 . 1 1 56 56 GLU HB2 H 1 2.147 0.01 . 1 . . . . . . . . 4380 1 507 . 1 1 56 56 GLU HB3 H 1 2.147 0.01 . 1 . . . . . . . . 4380 1 508 . 1 1 56 56 GLU HG2 H 1 2.532 0.01 . 2 . . . . . . . . 4380 1 509 . 1 1 56 56 GLU HG3 H 1 2.459 0.01 . 2 . . . . . . . . 4380 1 510 . 1 1 56 56 GLU C C 13 177.12 0.1 . 1 . . . . . . . . 4380 1 511 . 1 1 56 56 GLU CA C 13 56.09 0.1 . 1 . . . . . . . . 4380 1 512 . 1 1 56 56 GLU CB C 13 30.1 0.1 . 1 . . . . . . . . 4380 1 513 . 1 1 56 56 GLU CG C 13 36.72 0.1 . 1 . . . . . . . . 4380 1 514 . 1 1 57 57 ARG N N 15 130.008 0.1 . 1 . . . . . . . . 4380 1 515 . 1 1 57 57 ARG H H 1 8.8412 0.01 . 1 . . . . . . . . 4380 1 516 . 1 1 57 57 ARG HA H 1 4.5043 0.01 . 1 . . . . . . . . 4380 1 517 . 1 1 57 57 ARG C C 13 177.25 0.1 . 1 . . . . . . . . 4380 1 518 . 1 1 57 57 ARG CA C 13 59.14 0.1 . 1 . . . . . . . . 4380 1 519 . 1 1 57 57 ARG CB C 13 30.64 0.1 . 1 . . . . . . . . 4380 1 520 . 1 1 58 58 GLU N N 15 111.978 0.1 . 1 . . . . . . . . 4380 1 521 . 1 1 58 58 GLU H H 1 9.1497 0.01 . 1 . . . . . . . . 4380 1 522 . 1 1 58 58 GLU HA H 1 4.821 0.01 . 1 . . . . . . . . 4380 1 523 . 1 1 58 58 GLU HB2 H 1 2.362 0.01 . 2 . . . . . . . . 4380 1 524 . 1 1 58 58 GLU HB3 H 1 2.2031 0.01 . 2 . . . . . . . . 4380 1 525 . 1 1 58 58 GLU HG2 H 1 2.518 0.01 . 2 . . . . . . . . 4380 1 526 . 1 1 58 58 GLU HG3 H 1 2.481 0.01 . 2 . . . . . . . . 4380 1 527 . 1 1 58 58 GLU C C 13 177.99 0.1 . 1 . . . . . . . . 4380 1 528 . 1 1 58 58 GLU CA C 13 57.64 0.1 . 1 . . . . . . . . 4380 1 529 . 1 1 58 58 GLU CB C 13 30.73 0.1 . 1 . . . . . . . . 4380 1 530 . 1 1 58 58 GLU CG C 13 37.95 0.1 . 1 . . . . . . . . 4380 1 531 . 1 1 59 59 THR N N 15 106.397 0.1 . 1 . . . . . . . . 4380 1 532 . 1 1 59 59 THR H H 1 7.4757 0.01 . 1 . . . . . . . . 4380 1 533 . 1 1 59 59 THR HA H 1 4.702 0.01 . 1 . . . . . . . . 4380 1 534 . 1 1 59 59 THR HB H 1 4.021 0.01 . 1 . . . . . . . . 4380 1 535 . 1 1 59 59 THR HG21 H 1 1.164 0.01 . 1 . . . . . . . . 4380 1 536 . 1 1 59 59 THR HG22 H 1 1.164 0.01 . 1 . . . . . . . . 4380 1 537 . 1 1 59 59 THR HG23 H 1 1.164 0.01 . 1 . . . . . . . . 4380 1 538 . 1 1 59 59 THR C C 13 175.98 0.1 . 1 . . . . . . . . 4380 1 539 . 1 1 59 59 THR CA C 13 61.54 0.1 . 1 . . . . . . . . 4380 1 540 . 1 1 59 59 THR CB C 13 70.34 0.1 . 1 . . . . . . . . 4380 1 541 . 1 1 60 60 GLY N N 15 111.244 0.1 . 1 . . . . . . . . 4380 1 542 . 1 1 60 60 GLY H H 1 8.3727 0.01 . 1 . . . . . . . . 4380 1 543 . 1 1 60 60 GLY HA2 H 1 4.02 0.01 . 2 . . . . . . . . 4380 1 544 . 1 1 60 60 GLY HA3 H 1 2.81 0.01 . 2 . . . . . . . . 4380 1 545 . 1 1 60 60 GLY C C 13 174.33 0.1 . 1 . . . . . . . . 4380 1 546 . 1 1 60 60 GLY CA C 13 45.03 0.1 . 1 . . . . . . . . 4380 1 547 . 1 1 61 61 TRP N N 15 119.514 0.1 . 1 . . . . . . . . 4380 1 548 . 1 1 61 61 TRP H H 1 7.6678 0.01 . 1 . . . . . . . . 4380 1 549 . 1 1 61 61 TRP HA H 1 4.398 0.01 . 1 . . . . . . . . 4380 1 550 . 1 1 61 61 TRP HB2 H 1 2.889 0.01 . 2 . . . . . . . . 4380 1 551 . 1 1 61 61 TRP HD1 H 1 7.12 0.01 . 1 . . . . . . . . 4380 1 552 . 1 1 61 61 TRP HE1 H 1 9.9246 0.01 . 1 . . . . . . . . 4380 1 553 . 1 1 61 61 TRP HE3 H 1 7.571 0.01 . 1 . . . . . . . . 4380 1 554 . 1 1 61 61 TRP HZ2 H 1 7.338 0.01 . 1 . . . . . . . . 4380 1 555 . 1 1 61 61 TRP HZ3 H 1 6.951 0.01 . 1 . . . . . . . . 4380 1 556 . 1 1 61 61 TRP HH2 H 1 7.003 0.01 . 1 . . . . . . . . 4380 1 557 . 1 1 61 61 TRP C C 13 173.98 0.1 . 1 . . . . . . . . 4380 1 558 . 1 1 61 61 TRP CA C 13 60.09 0.1 . 1 . . . . . . . . 4380 1 559 . 1 1 61 61 TRP CB C 13 28.71 0.1 . 1 . . . . . . . . 4380 1 560 . 1 1 62 62 LEU N N 15 131.972 0.1 . 1 . . . . . . . . 4380 1 561 . 1 1 62 62 LEU H H 1 9.3549 0.01 . 1 . . . . . . . . 4380 1 562 . 1 1 62 62 LEU HA H 1 5.0376 0.01 . 1 . . . . . . . . 4380 1 563 . 1 1 62 62 LEU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 4380 1 564 . 1 1 62 62 LEU HB3 H 1 1.28 0.01 . 2 . . . . . . . . 4380 1 565 . 1 1 62 62 LEU C C 13 175.55 0.1 . 1 . . . . . . . . 4380 1 566 . 1 1 62 62 LEU CA C 13 54.43 0.1 . 1 . . . . . . . . 4380 1 567 . 1 1 62 62 LEU CB C 13 43.52 0.1 . 1 . . . . . . . . 4380 1 568 . 1 1 63 63 LYS N N 15 126.379 0.1 . 1 . . . . . . . . 4380 1 569 . 1 1 63 63 LYS H H 1 9.6108 0.01 . 1 . . . . . . . . 4380 1 570 . 1 1 63 63 LYS HA H 1 5.5101 0.01 . 1 . . . . . . . . 4380 1 571 . 1 1 63 63 LYS HB2 H 1 1.457 0.01 . 2 . . . . . . . . 4380 1 572 . 1 1 63 63 LYS HG2 H 1 1.61 0.01 . 2 . . . . . . . . 4380 1 573 . 1 1 63 63 LYS C C 13 174.03 0.1 . 1 . . . . . . . . 4380 1 574 . 1 1 63 63 LYS CA C 13 54.22 0.1 . 1 . . . . . . . . 4380 1 575 . 1 1 63 63 LYS CB C 13 36.71 0.1 . 1 . . . . . . . . 4380 1 576 . 1 1 64 64 VAL N N 15 119.349 0.1 . 1 . . . . . . . . 4380 1 577 . 1 1 64 64 VAL H H 1 8.8527 0.01 . 1 . . . . . . . . 4380 1 578 . 1 1 64 64 VAL HA H 1 5.34 0.01 . 1 . . . . . . . . 4380 1 579 . 1 1 64 64 VAL HB H 1 2.128 0.01 . 1 . . . . . . . . 4380 1 580 . 1 1 64 64 VAL HG11 H 1 1.243 0.01 . 2 . . . . . . . . 4380 1 581 . 1 1 64 64 VAL HG12 H 1 1.243 0.01 . 2 . . . . . . . . 4380 1 582 . 1 1 64 64 VAL HG13 H 1 1.243 0.01 . 2 . . . . . . . . 4380 1 583 . 1 1 64 64 VAL HG21 H 1 1.008 0.01 . 2 . . . . . . . . 4380 1 584 . 1 1 64 64 VAL HG22 H 1 1.008 0.01 . 2 . . . . . . . . 4380 1 585 . 1 1 64 64 VAL HG23 H 1 1.008 0.01 . 2 . . . . . . . . 4380 1 586 . 1 1 64 64 VAL C C 13 176.54 0.1 . 1 . . . . . . . . 4380 1 587 . 1 1 64 64 VAL CA C 13 57.94 0.1 . 1 . . . . . . . . 4380 1 588 . 1 1 64 64 VAL CB C 13 34.67 0.1 . 1 . . . . . . . . 4380 1 589 . 1 1 64 64 VAL CG2 C 13 22.49 0.1 . 2 . . . . . . . . 4380 1 590 . 1 1 65 65 THR N N 15 116.368 0.1 . 1 . . . . . . . . 4380 1 591 . 1 1 65 65 THR H H 1 9.1403 0.01 . 1 . . . . . . . . 4380 1 592 . 1 1 65 65 THR HA H 1 4.164 0.01 . 1 . . . . . . . . 4380 1 593 . 1 1 65 65 THR HB H 1 4.481 0.01 . 1 . . . . . . . . 4380 1 594 . 1 1 65 65 THR HG21 H 1 0.94 0.01 . 1 . . . . . . . . 4380 1 595 . 1 1 65 65 THR HG22 H 1 0.94 0.01 . 1 . . . . . . . . 4380 1 596 . 1 1 65 65 THR HG23 H 1 0.94 0.01 . 1 . . . . . . . . 4380 1 597 . 1 1 65 65 THR C C 13 172.81 0.1 . 1 . . . . . . . . 4380 1 598 . 1 1 65 65 THR CA C 13 62.87 0.1 . 1 . . . . . . . . 4380 1 599 . 1 1 65 65 THR CB C 13 69.66 0.1 . 1 . . . . . . . . 4380 1 600 . 1 1 66 66 GLN N N 15 118.218 0.1 . 1 . . . . . . . . 4380 1 601 . 1 1 66 66 GLN H H 1 7.1344 0.01 . 1 . . . . . . . . 4380 1 602 . 1 1 66 66 GLN HA H 1 3.598 0.01 . 1 . . . . . . . . 4380 1 603 . 1 1 66 66 GLN HB2 H 1 1.924 0.01 . 2 . . . . . . . . 4380 1 604 . 1 1 66 66 GLN HB3 H 1 1.832 0.01 . 2 . . . . . . . . 4380 1 605 . 1 1 66 66 GLN CA C 13 52.07 0.1 . 1 . . . . . . . . 4380 1 606 . 1 1 66 66 GLN CB C 13 29.52 0.1 . 1 . . . . . . . . 4380 1 607 . 1 1 67 67 PRO HA H 1 4.362 0.01 . 1 . . . . . . . . 4380 1 608 . 1 1 67 67 PRO HB2 H 1 1.971 0.01 . 2 . . . . . . . . 4380 1 609 . 1 1 67 67 PRO HB3 H 1 1.844 0.01 . 2 . . . . . . . . 4380 1 610 . 1 1 67 67 PRO C C 13 176.18 0.1 . 1 . . . . . . . . 4380 1 611 . 1 1 67 67 PRO CA C 13 61.95 0.1 . 1 . . . . . . . . 4380 1 612 . 1 1 67 67 PRO CB C 13 31.81 0.1 . 1 . . . . . . . . 4380 1 613 . 1 1 68 68 LEU N N 15 123.638 0.1 . 1 . . . . . . . . 4380 1 614 . 1 1 68 68 LEU H H 1 9.3033 0.01 . 1 . . . . . . . . 4380 1 615 . 1 1 68 68 LEU HA H 1 4.588 0.01 . 1 . . . . . . . . 4380 1 616 . 1 1 68 68 LEU CA C 13 53.39 0.1 . 1 . . . . . . . . 4380 1 617 . 1 1 68 68 LEU CB C 13 43.44 0.1 . 1 . . . . . . . . 4380 1 618 . 1 1 69 69 ASP N N 15 119.918 0.1 . 1 . . . . . . . . 4380 1 619 . 1 1 69 69 ASP H H 1 8.4364 0.01 . 1 . . . . . . . . 4380 1 620 . 1 1 69 69 ASP HA H 1 5.021 0.01 . 1 . . . . . . . . 4380 1 621 . 1 1 69 69 ASP HB2 H 1 2.862 0.01 . 2 . . . . . . . . 4380 1 622 . 1 1 69 69 ASP HB3 H 1 2.611 0.01 . 2 . . . . . . . . 4380 1 623 . 1 1 69 69 ASP C C 13 176.53 0.1 . 1 . . . . . . . . 4380 1 624 . 1 1 69 69 ASP CA C 13 52.68 0.1 . 1 . . . . . . . . 4380 1 625 . 1 1 69 69 ASP CB C 13 42.14 0.1 . 1 . . . . . . . . 4380 1 626 . 1 1 70 70 ARG N N 15 128.521 0.1 . 1 . . . . . . . . 4380 1 627 . 1 1 70 70 ARG H H 1 9.1298 0.01 . 1 . . . . . . . . 4380 1 628 . 1 1 70 70 ARG HA H 1 3.931 0.01 . 1 . . . . . . . . 4380 1 629 . 1 1 70 70 ARG HB2 H 1 1.707 0.01 . 2 . . . . . . . . 4380 1 630 . 1 1 70 70 ARG HB3 H 1 1.657 0.01 . 2 . . . . . . . . 4380 1 631 . 1 1 70 70 ARG C C 13 175.99 0.1 . 1 . . . . . . . . 4380 1 632 . 1 1 70 70 ARG CA C 13 58.25 0.1 . 1 . . . . . . . . 4380 1 633 . 1 1 70 70 ARG CB C 13 30.37 0.1 . 1 . . . . . . . . 4380 1 634 . 1 1 71 71 GLU N N 15 116.174 0.1 . 1 . . . . . . . . 4380 1 635 . 1 1 71 71 GLU H H 1 8.0421 0.01 . 1 . . . . . . . . 4380 1 636 . 1 1 71 71 GLU HA H 1 3.929 0.01 . 1 . . . . . . . . 4380 1 637 . 1 1 71 71 GLU HB2 H 1 2.124 0.01 . 2 . . . . . . . . 4380 1 638 . 1 1 71 71 GLU HB3 H 1 2.036 0.01 . 2 . . . . . . . . 4380 1 639 . 1 1 71 71 GLU HG2 H 1 2.325 0.01 . 1 . . . . . . . . 4380 1 640 . 1 1 71 71 GLU HG3 H 1 2.325 0.01 . 1 . . . . . . . . 4380 1 641 . 1 1 71 71 GLU C C 13 176.56 0.1 . 1 . . . . . . . . 4380 1 642 . 1 1 71 71 GLU CA C 13 57.97 0.1 . 1 . . . . . . . . 4380 1 643 . 1 1 71 71 GLU CB C 13 28.77 0.1 . 1 . . . . . . . . 4380 1 644 . 1 1 71 71 GLU CG C 13 37.03 0.1 . 1 . . . . . . . . 4380 1 645 . 1 1 72 72 ALA N N 15 122.449 0.1 . 1 . . . . . . . . 4380 1 646 . 1 1 72 72 ALA H H 1 7.273 0.01 . 1 . . . . . . . . 4380 1 647 . 1 1 72 72 ALA HA H 1 4.3495 0.01 . 1 . . . . . . . . 4380 1 648 . 1 1 72 72 ALA HB1 H 1 1.51 0.01 . 1 . . . . . . . . 4380 1 649 . 1 1 72 72 ALA HB2 H 1 1.51 0.01 . 1 . . . . . . . . 4380 1 650 . 1 1 72 72 ALA HB3 H 1 1.51 0.01 . 1 . . . . . . . . 4380 1 651 . 1 1 72 72 ALA C C 13 177.12 0.1 . 1 . . . . . . . . 4380 1 652 . 1 1 72 72 ALA CA C 13 53.51 0.1 . 1 . . . . . . . . 4380 1 653 . 1 1 72 72 ALA CB C 13 18.87 0.1 . 1 . . . . . . . . 4380 1 654 . 1 1 73 73 ILE N N 15 116.595 0.1 . 1 . . . . . . . . 4380 1 655 . 1 1 73 73 ILE H H 1 7.2309 0.01 . 1 . . . . . . . . 4380 1 656 . 1 1 73 73 ILE HA H 1 3.901 0.01 . 1 . . . . . . . . 4380 1 657 . 1 1 73 73 ILE HB H 1 1.609 0.01 . 1 . . . . . . . . 4380 1 658 . 1 1 73 73 ILE HG12 H 1 0.81 0.01 . 2 . . . . . . . . 4380 1 659 . 1 1 73 73 ILE HG21 H 1 0.844 0.01 . 1 . . . . . . . . 4380 1 660 . 1 1 73 73 ILE HG22 H 1 0.844 0.01 . 1 . . . . . . . . 4380 1 661 . 1 1 73 73 ILE HG23 H 1 0.844 0.01 . 1 . . . . . . . . 4380 1 662 . 1 1 73 73 ILE HD11 H 1 0.068 0.01 . 1 . . . . . . . . 4380 1 663 . 1 1 73 73 ILE HD12 H 1 0.068 0.01 . 1 . . . . . . . . 4380 1 664 . 1 1 73 73 ILE HD13 H 1 0.068 0.01 . 1 . . . . . . . . 4380 1 665 . 1 1 73 73 ILE C C 13 174 0.1 . 1 . . . . . . . . 4380 1 666 . 1 1 73 73 ILE CA C 13 61.61 0.1 . 1 . . . . . . . . 4380 1 667 . 1 1 73 73 ILE CB C 13 41.13 0.1 . 1 . . . . . . . . 4380 1 668 . 1 1 73 73 ILE CD1 C 13 16.71 0.1 . 1 . . . . . . . . 4380 1 669 . 1 1 74 74 ALA N N 15 127.787 0.1 . 1 . . . . . . . . 4380 1 670 . 1 1 74 74 ALA H H 1 8.4612 0.01 . 1 . . . . . . . . 4380 1 671 . 1 1 74 74 ALA HA H 1 4.49 0.01 . 1 . . . . . . . . 4380 1 672 . 1 1 74 74 ALA HB1 H 1 1.492 0.01 . 1 . . . . . . . . 4380 1 673 . 1 1 74 74 ALA HB2 H 1 1.492 0.01 . 1 . . . . . . . . 4380 1 674 . 1 1 74 74 ALA HB3 H 1 1.492 0.01 . 1 . . . . . . . . 4380 1 675 . 1 1 74 74 ALA C C 13 176.53 0.1 . 1 . . . . . . . . 4380 1 676 . 1 1 74 74 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 4380 1 677 . 1 1 74 74 ALA CB C 13 19.52 0.1 . 1 . . . . . . . . 4380 1 678 . 1 1 75 75 LYS N N 15 119.194 0.1 . 1 . . . . . . . . 4380 1 679 . 1 1 75 75 LYS H H 1 7.1307 0.01 . 1 . . . . . . . . 4380 1 680 . 1 1 75 75 LYS HA H 1 5.25 0.01 . 1 . . . . . . . . 4380 1 681 . 1 1 75 75 LYS HB2 H 1 1.713 0.01 . 2 . . . . . . . . 4380 1 682 . 1 1 75 75 LYS HB3 H 1 1.587 0.01 . 2 . . . . . . . . 4380 1 683 . 1 1 75 75 LYS HG2 H 1 1.29 0.01 . 2 . . . . . . . . 4380 1 684 . 1 1 75 75 LYS HG3 H 1 1.135 0.01 . 2 . . . . . . . . 4380 1 685 . 1 1 75 75 LYS HE2 H 1 2.81 0.01 . 2 . . . . . . . . 4380 1 686 . 1 1 75 75 LYS C C 13 173.16 0.1 . 1 . . . . . . . . 4380 1 687 . 1 1 75 75 LYS CA C 13 54.96 0.1 . 1 . . . . . . . . 4380 1 688 . 1 1 75 75 LYS CB C 13 35.26 0.1 . 1 . . . . . . . . 4380 1 689 . 1 1 76 76 TYR N N 15 125.328 0.1 . 1 . . . . . . . . 4380 1 690 . 1 1 76 76 TYR H H 1 9.482 0.01 . 1 . . . . . . . . 4380 1 691 . 1 1 76 76 TYR HB2 H 1 2.802 0.01 . 2 . . . . . . . . 4380 1 692 . 1 1 76 76 TYR HD1 H 1 7.143 0.01 . 1 . . . . . . . . 4380 1 693 . 1 1 76 76 TYR HD2 H 1 7.143 0.01 . 1 . . . . . . . . 4380 1 694 . 1 1 76 76 TYR HE1 H 1 6.655 0.01 . 1 . . . . . . . . 4380 1 695 . 1 1 76 76 TYR HE2 H 1 6.655 0.01 . 1 . . . . . . . . 4380 1 696 . 1 1 76 76 TYR C C 13 173.75 0.1 . 1 . . . . . . . . 4380 1 697 . 1 1 76 76 TYR CA C 13 56.39 0.1 . 1 . . . . . . . . 4380 1 698 . 1 1 76 76 TYR CB C 13 40.53 0.1 . 1 . . . . . . . . 4380 1 699 . 1 1 77 77 ILE N N 15 122.585 0.1 . 1 . . . . . . . . 4380 1 700 . 1 1 77 77 ILE H H 1 8.6808 0.01 . 1 . . . . . . . . 4380 1 701 . 1 1 77 77 ILE HA H 1 4.077 0.01 . 1 . . . . . . . . 4380 1 702 . 1 1 77 77 ILE HB H 1 1.803 0.01 . 1 . . . . . . . . 4380 1 703 . 1 1 77 77 ILE HG12 H 1 1.563 0.01 . 2 . . . . . . . . 4380 1 704 . 1 1 77 77 ILE HG13 H 1 1.066 0.01 . 2 . . . . . . . . 4380 1 705 . 1 1 77 77 ILE HG21 H 1 0.85 0.01 . 1 . . . . . . . . 4380 1 706 . 1 1 77 77 ILE HG22 H 1 0.85 0.01 . 1 . . . . . . . . 4380 1 707 . 1 1 77 77 ILE HG23 H 1 0.85 0.01 . 1 . . . . . . . . 4380 1 708 . 1 1 77 77 ILE HD11 H 1 0.614 0.01 . 1 . . . . . . . . 4380 1 709 . 1 1 77 77 ILE HD12 H 1 0.614 0.01 . 1 . . . . . . . . 4380 1 710 . 1 1 77 77 ILE HD13 H 1 0.614 0.01 . 1 . . . . . . . . 4380 1 711 . 1 1 77 77 ILE C C 13 174.12 0.1 . 1 . . . . . . . . 4380 1 712 . 1 1 77 77 ILE CA C 13 60.53 0.1 . 1 . . . . . . . . 4380 1 713 . 1 1 77 77 ILE CB C 13 38.66 0.1 . 1 . . . . . . . . 4380 1 714 . 1 1 77 77 ILE CG2 C 13 21.18 0.1 . 1 . . . . . . . . 4380 1 715 . 1 1 77 77 ILE CD1 C 13 13.78 0.1 . 1 . . . . . . . . 4380 1 716 . 1 1 78 78 LEU N N 15 127.593 0.1 . 1 . . . . . . . . 4380 1 717 . 1 1 78 78 LEU H H 1 8.9223 0.01 . 1 . . . . . . . . 4380 1 718 . 1 1 78 78 LEU HA H 1 5.136 0.01 . 1 . . . . . . . . 4380 1 719 . 1 1 78 78 LEU HB2 H 1 1.375 0.01 . 2 . . . . . . . . 4380 1 720 . 1 1 78 78 LEU HB3 H 1 1.314 0.01 . 2 . . . . . . . . 4380 1 721 . 1 1 78 78 LEU HG H 1 0.669 0.01 . 1 . . . . . . . . 4380 1 722 . 1 1 78 78 LEU HD11 H 1 0.532 0.01 . 2 . . . . . . . . 4380 1 723 . 1 1 78 78 LEU HD12 H 1 0.532 0.01 . 2 . . . . . . . . 4380 1 724 . 1 1 78 78 LEU HD13 H 1 0.532 0.01 . 2 . . . . . . . . 4380 1 725 . 1 1 78 78 LEU HD21 H 1 0.466 0.01 . 2 . . . . . . . . 4380 1 726 . 1 1 78 78 LEU HD22 H 1 0.466 0.01 . 2 . . . . . . . . 4380 1 727 . 1 1 78 78 LEU HD23 H 1 0.466 0.01 . 2 . . . . . . . . 4380 1 728 . 1 1 78 78 LEU C C 13 174.37 0.1 . 1 . . . . . . . . 4380 1 729 . 1 1 78 78 LEU CA C 13 51.59 0.1 . 1 . . . . . . . . 4380 1 730 . 1 1 78 78 LEU CB C 13 45.21 0.1 . 1 . . . . . . . . 4380 1 731 . 1 1 78 78 LEU CD1 C 13 13.77 0.1 . 2 . . . . . . . . 4380 1 732 . 1 1 79 79 TYR N N 15 116.312 0.1 . 1 . . . . . . . . 4380 1 733 . 1 1 79 79 TYR H H 1 8.8639 0.01 . 1 . . . . . . . . 4380 1 734 . 1 1 79 79 TYR HA H 1 5.306 0.01 . 1 . . . . . . . . 4380 1 735 . 1 1 79 79 TYR HB2 H 1 2.811 0.01 . 2 . . . . . . . . 4380 1 736 . 1 1 79 79 TYR HB3 H 1 2.3 0.01 . 2 . . . . . . . . 4380 1 737 . 1 1 79 79 TYR HD1 H 1 6.841 0.01 . 1 . . . . . . . . 4380 1 738 . 1 1 79 79 TYR HD2 H 1 6.841 0.01 . 1 . . . . . . . . 4380 1 739 . 1 1 79 79 TYR HE1 H 1 6.778 0.01 . 1 . . . . . . . . 4380 1 740 . 1 1 79 79 TYR HE2 H 1 6.778 0.01 . 1 . . . . . . . . 4380 1 741 . 1 1 79 79 TYR C C 13 175.31 0.1 . 1 . . . . . . . . 4380 1 742 . 1 1 79 79 TYR CA C 13 56.24 0.1 . 1 . . . . . . . . 4380 1 743 . 1 1 79 79 TYR CB C 13 40.7 0.1 . 1 . . . . . . . . 4380 1 744 . 1 1 80 80 SER N N 15 116.871 0.1 . 1 . . . . . . . . 4380 1 745 . 1 1 80 80 SER H H 1 9.1831 0.01 . 1 . . . . . . . . 4380 1 746 . 1 1 80 80 SER HA H 1 5.456 0.01 . 1 . . . . . . . . 4380 1 747 . 1 1 80 80 SER HB2 H 1 3.696 0.01 . 2 . . . . . . . . 4380 1 748 . 1 1 80 80 SER HB3 H 1 3.549 0.01 . 2 . . . . . . . . 4380 1 749 . 1 1 80 80 SER C C 13 175.4 0.1 . 1 . . . . . . . . 4380 1 750 . 1 1 80 80 SER CA C 13 56.2 0.1 . 1 . . . . . . . . 4380 1 751 . 1 1 80 80 SER CB C 13 65.26 0.1 . 1 . . . . . . . . 4380 1 752 . 1 1 81 81 HIS N N 15 122.938 0.1 . 1 . . . . . . . . 4380 1 753 . 1 1 81 81 HIS H H 1 8.9709 0.01 . 1 . . . . . . . . 4380 1 754 . 1 1 81 81 HIS HA H 1 5.046 0.01 . 1 . . . . . . . . 4380 1 755 . 1 1 81 81 HIS HB2 H 1 3.208 0.01 . 2 . . . . . . . . 4380 1 756 . 1 1 81 81 HIS HB3 H 1 2.84 0.01 . 2 . . . . . . . . 4380 1 757 . 1 1 81 81 HIS C C 13 173.45 0.1 . 1 . . . . . . . . 4380 1 758 . 1 1 81 81 HIS CA C 13 54.33 0.1 . 1 . . . . . . . . 4380 1 759 . 1 1 81 81 HIS CB C 13 31.8 0.1 . 1 . . . . . . . . 4380 1 760 . 1 1 82 82 ALA N N 15 127.258 0.1 . 1 . . . . . . . . 4380 1 761 . 1 1 82 82 ALA H H 1 8.7644 0.01 . 1 . . . . . . . . 4380 1 762 . 1 1 82 82 ALA HA H 1 4.956 0.01 . 1 . . . . . . . . 4380 1 763 . 1 1 82 82 ALA HB1 H 1 0.903 0.01 . 1 . . . . . . . . 4380 1 764 . 1 1 82 82 ALA HB2 H 1 0.903 0.01 . 1 . . . . . . . . 4380 1 765 . 1 1 82 82 ALA HB3 H 1 0.903 0.01 . 1 . . . . . . . . 4380 1 766 . 1 1 82 82 ALA C C 13 176.12 0.1 . 1 . . . . . . . . 4380 1 767 . 1 1 82 82 ALA CA C 13 50.3 0.1 . 1 . . . . . . . . 4380 1 768 . 1 1 82 82 ALA CB C 13 20.45 0.1 . 1 . . . . . . . . 4380 1 769 . 1 1 83 83 VAL N N 15 119.86 0.1 . 1 . . . . . . . . 4380 1 770 . 1 1 83 83 VAL H H 1 8.8977 0.01 . 1 . . . . . . . . 4380 1 771 . 1 1 83 83 VAL HA H 1 5.2131 0.01 . 1 . . . . . . . . 4380 1 772 . 1 1 83 83 VAL HB H 1 1.898 0.01 . 1 . . . . . . . . 4380 1 773 . 1 1 83 83 VAL HG11 H 1 0.898 0.01 . 2 . . . . . . . . 4380 1 774 . 1 1 83 83 VAL HG12 H 1 0.898 0.01 . 2 . . . . . . . . 4380 1 775 . 1 1 83 83 VAL HG13 H 1 0.898 0.01 . 2 . . . . . . . . 4380 1 776 . 1 1 83 83 VAL HG21 H 1 0.829 0.01 . 2 . . . . . . . . 4380 1 777 . 1 1 83 83 VAL HG22 H 1 0.829 0.01 . 2 . . . . . . . . 4380 1 778 . 1 1 83 83 VAL HG23 H 1 0.829 0.01 . 2 . . . . . . . . 4380 1 779 . 1 1 83 83 VAL C C 13 174.4 0.1 . 1 . . . . . . . . 4380 1 780 . 1 1 83 83 VAL CA C 13 58.47 0.1 . 1 . . . . . . . . 4380 1 781 . 1 1 83 83 VAL CB C 13 35.81 0.1 . 1 . . . . . . . . 4380 1 782 . 1 1 83 83 VAL CG1 C 13 19.36 0.1 . 2 . . . . . . . . 4380 1 783 . 1 1 83 83 VAL CG2 C 13 20.37 0.1 . 2 . . . . . . . . 4380 1 784 . 1 1 84 84 SER N N 15 116.391 0.1 . 1 . . . . . . . . 4380 1 785 . 1 1 84 84 SER H H 1 8.7832 0.01 . 1 . . . . . . . . 4380 1 786 . 1 1 84 84 SER HA H 1 5.107 0.01 . 1 . . . . . . . . 4380 1 787 . 1 1 84 84 SER HB2 H 1 4.405 0.01 . 2 . . . . . . . . 4380 1 788 . 1 1 84 84 SER HB3 H 1 3.857 0.01 . 2 . . . . . . . . 4380 1 789 . 1 1 84 84 SER C C 13 177.34 0.1 . 1 . . . . . . . . 4380 1 790 . 1 1 84 84 SER CA C 13 56.33 0.1 . 1 . . . . . . . . 4380 1 791 . 1 1 84 84 SER CB C 13 64.92 0.1 . 1 . . . . . . . . 4380 1 792 . 1 1 85 85 SER N N 15 117.852 0.1 . 1 . . . . . . . . 4380 1 793 . 1 1 85 85 SER H H 1 9.2929 0.01 . 1 . . . . . . . . 4380 1 794 . 1 1 85 85 SER HA H 1 4.71 0.01 . 1 . . . . . . . . 4380 1 795 . 1 1 85 85 SER HB2 H 1 4.63 0.01 . 2 . . . . . . . . 4380 1 796 . 1 1 85 85 SER HB3 H 1 4.53 0.01 . 2 . . . . . . . . 4380 1 797 . 1 1 85 85 SER C C 13 174.27 0.1 . 1 . . . . . . . . 4380 1 798 . 1 1 85 85 SER CA C 13 61.6 0.1 . 1 . . . . . . . . 4380 1 799 . 1 1 85 85 SER CB C 13 62.48 0.1 . 1 . . . . . . . . 4380 1 800 . 1 1 86 86 ASN N N 15 117.951 0.1 . 1 . . . . . . . . 4380 1 801 . 1 1 86 86 ASN H H 1 7.9915 0.01 . 1 . . . . . . . . 4380 1 802 . 1 1 86 86 ASN HA H 1 4.73 0.01 . 1 . . . . . . . . 4380 1 803 . 1 1 86 86 ASN C C 13 175.77 0.1 . 1 . . . . . . . . 4380 1 804 . 1 1 86 86 ASN CA C 13 52.46 0.1 . 1 . . . . . . . . 4380 1 805 . 1 1 86 86 ASN CB C 13 37.96 0.1 . 1 . . . . . . . . 4380 1 806 . 1 1 87 87 GLY N N 15 108.317 0.1 . 1 . . . . . . . . 4380 1 807 . 1 1 87 87 GLY H H 1 8.035 0.01 . 1 . . . . . . . . 4380 1 808 . 1 1 87 87 GLY HA2 H 1 4.207 0.01 . 2 . . . . . . . . 4380 1 809 . 1 1 87 87 GLY HA3 H 1 3.475 0.01 . 2 . . . . . . . . 4380 1 810 . 1 1 87 87 GLY C C 13 173.5 0.1 . 1 . . . . . . . . 4380 1 811 . 1 1 87 87 GLY CA C 13 45.01 0.1 . 1 . . . . . . . . 4380 1 812 . 1 1 88 88 GLU N N 15 120.965 0.1 . 1 . . . . . . . . 4380 1 813 . 1 1 88 88 GLU H H 1 7.6761 0.01 . 1 . . . . . . . . 4380 1 814 . 1 1 88 88 GLU HA H 1 4.315 0.01 . 1 . . . . . . . . 4380 1 815 . 1 1 88 88 GLU HB2 H 1 2.079 0.01 . 2 . . . . . . . . 4380 1 816 . 1 1 88 88 GLU HB3 H 1 1.981 0.01 . 2 . . . . . . . . 4380 1 817 . 1 1 88 88 GLU HG2 H 1 2.352 0.01 . 1 . . . . . . . . 4380 1 818 . 1 1 88 88 GLU HG3 H 1 2.352 0.01 . 1 . . . . . . . . 4380 1 819 . 1 1 88 88 GLU C C 13 175.5 0.1 . 1 . . . . . . . . 4380 1 820 . 1 1 88 88 GLU CA C 13 55.19 0.1 . 1 . . . . . . . . 4380 1 821 . 1 1 88 88 GLU CB C 13 30.08 0.1 . 1 . . . . . . . . 4380 1 822 . 1 1 88 88 GLU CG C 13 36.44 0.1 . 1 . . . . . . . . 4380 1 823 . 1 1 89 89 ALA N N 15 126.674 0.1 . 1 . . . . . . . . 4380 1 824 . 1 1 89 89 ALA H H 1 8.7392 0.01 . 1 . . . . . . . . 4380 1 825 . 1 1 89 89 ALA HA H 1 4.695 0.01 . 1 . . . . . . . . 4380 1 826 . 1 1 89 89 ALA HB1 H 1 1.533 0.01 . 1 . . . . . . . . 4380 1 827 . 1 1 89 89 ALA HB2 H 1 1.533 0.01 . 1 . . . . . . . . 4380 1 828 . 1 1 89 89 ALA HB3 H 1 1.533 0.01 . 1 . . . . . . . . 4380 1 829 . 1 1 89 89 ALA C C 13 178.78 0.1 . 1 . . . . . . . . 4380 1 830 . 1 1 89 89 ALA CA C 13 52.71 0.1 . 1 . . . . . . . . 4380 1 831 . 1 1 89 89 ALA CB C 13 18.31 0.1 . 1 . . . . . . . . 4380 1 832 . 1 1 90 90 VAL N N 15 117.615 0.1 . 1 . . . . . . . . 4380 1 833 . 1 1 90 90 VAL H H 1 8.532 0.01 . 1 . . . . . . . . 4380 1 834 . 1 1 90 90 VAL HA H 1 4.305 0.01 . 1 . . . . . . . . 4380 1 835 . 1 1 90 90 VAL HB H 1 2.041 0.01 . 1 . . . . . . . . 4380 1 836 . 1 1 90 90 VAL HG11 H 1 0.847 0.01 . 2 . . . . . . . . 4380 1 837 . 1 1 90 90 VAL HG12 H 1 0.847 0.01 . 2 . . . . . . . . 4380 1 838 . 1 1 90 90 VAL HG13 H 1 0.847 0.01 . 2 . . . . . . . . 4380 1 839 . 1 1 90 90 VAL HG21 H 1 0.614 0.01 . 2 . . . . . . . . 4380 1 840 . 1 1 90 90 VAL HG22 H 1 0.614 0.01 . 2 . . . . . . . . 4380 1 841 . 1 1 90 90 VAL HG23 H 1 0.614 0.01 . 2 . . . . . . . . 4380 1 842 . 1 1 90 90 VAL C C 13 174.47 0.1 . 1 . . . . . . . . 4380 1 843 . 1 1 90 90 VAL CA C 13 61.07 0.1 . 1 . . . . . . . . 4380 1 844 . 1 1 90 90 VAL CB C 13 31.85 0.1 . 1 . . . . . . . . 4380 1 845 . 1 1 90 90 VAL CG1 C 13 19.45 0.1 . 2 . . . . . . . . 4380 1 846 . 1 1 91 91 GLU N N 15 116.774 0.1 . 1 . . . . . . . . 4380 1 847 . 1 1 91 91 GLU H H 1 7.3881 0.01 . 1 . . . . . . . . 4380 1 848 . 1 1 91 91 GLU HA H 1 4.52 0.01 . 1 . . . . . . . . 4380 1 849 . 1 1 91 91 GLU HB2 H 1 2.039 0.01 . 2 . . . . . . . . 4380 1 850 . 1 1 91 91 GLU C C 13 175.79 0.1 . 1 . . . . . . . . 4380 1 851 . 1 1 91 91 GLU CA C 13 53.67 0.1 . 1 . . . . . . . . 4380 1 852 . 1 1 91 91 GLU CB C 13 32.97 0.1 . 1 . . . . . . . . 4380 1 853 . 1 1 92 92 ASP N N 15 123.954 0.1 . 1 . . . . . . . . 4380 1 854 . 1 1 92 92 ASP H H 1 9.0057 0.01 . 1 . . . . . . . . 4380 1 855 . 1 1 92 92 ASP HA H 1 4.929 0.01 . 1 . . . . . . . . 4380 1 856 . 1 1 92 92 ASP HB2 H 1 2.796 0.01 . 2 . . . . . . . . 4380 1 857 . 1 1 92 92 ASP HB3 H 1 2.556 0.01 . 2 . . . . . . . . 4380 1 858 . 1 1 92 92 ASP CA C 13 53.33 0.1 . 1 . . . . . . . . 4380 1 859 . 1 1 92 92 ASP CB C 13 39.21 0.1 . 1 . . . . . . . . 4380 1 860 . 1 1 93 93 PRO HA H 1 4.71 0.01 . 1 . . . . . . . . 4380 1 861 . 1 1 93 93 PRO HB2 H 1 1.985 0.01 . 2 . . . . . . . . 4380 1 862 . 1 1 93 93 PRO HB3 H 1 1.903 0.01 . 2 . . . . . . . . 4380 1 863 . 1 1 93 93 PRO HG2 H 1 2.196 0.01 . 2 . . . . . . . . 4380 1 864 . 1 1 93 93 PRO HG3 H 1 2.371 0.01 . 2 . . . . . . . . 4380 1 865 . 1 1 93 93 PRO C C 13 176.2 0.1 . 1 . . . . . . . . 4380 1 866 . 1 1 93 93 PRO CA C 13 63.21 0.1 . 1 . . . . . . . . 4380 1 867 . 1 1 93 93 PRO CB C 13 31.86 0.1 . 1 . . . . . . . . 4380 1 868 . 1 1 94 94 MET N N 15 124.642 0.1 . 1 . . . . . . . . 4380 1 869 . 1 1 94 94 MET H H 1 8.5305 0.01 . 1 . . . . . . . . 4380 1 870 . 1 1 94 94 MET HA H 1 4.71 0.01 . 1 . . . . . . . . 4380 1 871 . 1 1 94 94 MET C C 13 173.94 0.1 . 1 . . . . . . . . 4380 1 872 . 1 1 94 94 MET CA C 13 53.81 0.1 . 1 . . . . . . . . 4380 1 873 . 1 1 94 94 MET CB C 13 34.92 0.1 . 1 . . . . . . . . 4380 1 874 . 1 1 95 95 GLU N N 15 127.793 0.1 . 1 . . . . . . . . 4380 1 875 . 1 1 95 95 GLU H H 1 8.4762 0.01 . 1 . . . . . . . . 4380 1 876 . 1 1 95 95 GLU HA H 1 3.9 0.01 . 1 . . . . . . . . 4380 1 877 . 1 1 95 95 GLU HB2 H 1 1.715 0.01 . 2 . . . . . . . . 4380 1 878 . 1 1 95 95 GLU HB3 H 1 1.697 0.01 . 2 . . . . . . . . 4380 1 879 . 1 1 95 95 GLU HG2 H 1 1.837 0.01 . 2 . . . . . . . . 4380 1 880 . 1 1 95 95 GLU C C 13 174.42 0.1 . 1 . . . . . . . . 4380 1 881 . 1 1 95 95 GLU CA C 13 56.08 0.1 . 1 . . . . . . . . 4380 1 882 . 1 1 95 95 GLU CB C 13 31.1 0.1 . 1 . . . . . . . . 4380 1 883 . 1 1 96 96 ILE N N 15 130.227 0.1 . 1 . . . . . . . . 4380 1 884 . 1 1 96 96 ILE H H 1 9.14 0.01 . 1 . . . . . . . . 4380 1 885 . 1 1 96 96 ILE HA H 1 4.029 0.01 . 1 . . . . . . . . 4380 1 886 . 1 1 96 96 ILE HB H 1 1.357 0.01 . 1 . . . . . . . . 4380 1 887 . 1 1 96 96 ILE HG21 H 1 0.467 0.01 . 1 . . . . . . . . 4380 1 888 . 1 1 96 96 ILE HG22 H 1 0.467 0.01 . 1 . . . . . . . . 4380 1 889 . 1 1 96 96 ILE HG23 H 1 0.467 0.01 . 1 . . . . . . . . 4380 1 890 . 1 1 96 96 ILE C C 13 173.25 0.1 . 1 . . . . . . . . 4380 1 891 . 1 1 96 96 ILE CA C 13 59.78 0.1 . 1 . . . . . . . . 4380 1 892 . 1 1 96 96 ILE CB C 13 39.64 0.1 . 1 . . . . . . . . 4380 1 893 . 1 1 96 96 ILE CG1 C 13 16.74 0.1 . 1 . . . . . . . . 4380 1 894 . 1 1 97 97 VAL N N 15 127.015 0.1 . 1 . . . . . . . . 4380 1 895 . 1 1 97 97 VAL H H 1 8.2299 0.01 . 1 . . . . . . . . 4380 1 896 . 1 1 97 97 VAL HA H 1 4.618 0.01 . 1 . . . . . . . . 4380 1 897 . 1 1 97 97 VAL HB H 1 1.805 0.01 . 1 . . . . . . . . 4380 1 898 . 1 1 97 97 VAL HG11 H 1 0.841 0.01 . 2 . . . . . . . . 4380 1 899 . 1 1 97 97 VAL HG12 H 1 0.841 0.01 . 2 . . . . . . . . 4380 1 900 . 1 1 97 97 VAL HG13 H 1 0.841 0.01 . 2 . . . . . . . . 4380 1 901 . 1 1 97 97 VAL HG21 H 1 0.824 0.01 . 2 . . . . . . . . 4380 1 902 . 1 1 97 97 VAL HG22 H 1 0.824 0.01 . 2 . . . . . . . . 4380 1 903 . 1 1 97 97 VAL HG23 H 1 0.824 0.01 . 2 . . . . . . . . 4380 1 904 . 1 1 97 97 VAL C C 13 175.12 0.1 . 1 . . . . . . . . 4380 1 905 . 1 1 97 97 VAL CA C 13 60.76 0.1 . 1 . . . . . . . . 4380 1 906 . 1 1 97 97 VAL CB C 13 32.81 0.1 . 1 . . . . . . . . 4380 1 907 . 1 1 98 98 ILE N N 15 128.663 0.1 . 1 . . . . . . . . 4380 1 908 . 1 1 98 98 ILE H H 1 9.0113 0.01 . 1 . . . . . . . . 4380 1 909 . 1 1 98 98 ILE HA H 1 4.815 0.01 . 1 . . . . . . . . 4380 1 910 . 1 1 98 98 ILE HB H 1 1.584 0.01 . 1 . . . . . . . . 4380 1 911 . 1 1 98 98 ILE HG12 H 1 1.012 0.01 . 2 . . . . . . . . 4380 1 912 . 1 1 98 98 ILE HG21 H 1 0.556 0.01 . 1 . . . . . . . . 4380 1 913 . 1 1 98 98 ILE HG22 H 1 0.556 0.01 . 1 . . . . . . . . 4380 1 914 . 1 1 98 98 ILE HG23 H 1 0.556 0.01 . 1 . . . . . . . . 4380 1 915 . 1 1 98 98 ILE HD11 H 1 -0.154 0.01 . 1 . . . . . . . . 4380 1 916 . 1 1 98 98 ILE HD12 H 1 -0.154 0.01 . 1 . . . . . . . . 4380 1 917 . 1 1 98 98 ILE HD13 H 1 -0.154 0.01 . 1 . . . . . . . . 4380 1 918 . 1 1 98 98 ILE C C 13 173.39 0.1 . 1 . . . . . . . . 4380 1 919 . 1 1 98 98 ILE CA C 13 59.34 0.1 . 1 . . . . . . . . 4380 1 920 . 1 1 98 98 ILE CB C 13 39.85 0.1 . 1 . . . . . . . . 4380 1 921 . 1 1 98 98 ILE CD1 C 13 13.215 0.1 . 1 . . . . . . . . 4380 1 922 . 1 1 99 99 THR N N 15 122.926 0.1 . 1 . . . . . . . . 4380 1 923 . 1 1 99 99 THR H H 1 8.947 0.01 . 1 . . . . . . . . 4380 1 924 . 1 1 99 99 THR HA H 1 4.74 0.01 . 1 . . . . . . . . 4380 1 925 . 1 1 99 99 THR HB H 1 4.06 0.01 . 1 . . . . . . . . 4380 1 926 . 1 1 99 99 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 927 . 1 1 99 99 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 928 . 1 1 99 99 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 4380 1 929 . 1 1 99 99 THR C C 13 172.71 0.1 . 1 . . . . . . . . 4380 1 930 . 1 1 99 99 THR CA C 13 61.17 0.1 . 1 . . . . . . . . 4380 1 931 . 1 1 99 99 THR CB C 13 69.8 0.1 . 1 . . . . . . . . 4380 1 932 . 1 1 100 100 VAL N N 15 127.192 0.1 . 1 . . . . . . . . 4380 1 933 . 1 1 100 100 VAL H H 1 8.2739 0.01 . 1 . . . . . . . . 4380 1 934 . 1 1 100 100 VAL HA H 1 5.05 0.01 . 1 . . . . . . . . 4380 1 935 . 1 1 100 100 VAL HB H 1 2.159 0.01 . 1 . . . . . . . . 4380 1 936 . 1 1 100 100 VAL HG11 H 1 1.202 0.01 . 2 . . . . . . . . 4380 1 937 . 1 1 100 100 VAL HG12 H 1 1.202 0.01 . 2 . . . . . . . . 4380 1 938 . 1 1 100 100 VAL HG13 H 1 1.202 0.01 . 2 . . . . . . . . 4380 1 939 . 1 1 100 100 VAL HG21 H 1 1.043 0.01 . 2 . . . . . . . . 4380 1 940 . 1 1 100 100 VAL HG22 H 1 1.043 0.01 . 2 . . . . . . . . 4380 1 941 . 1 1 100 100 VAL HG23 H 1 1.043 0.01 . 2 . . . . . . . . 4380 1 942 . 1 1 100 100 VAL C C 13 176.14 0.1 . 1 . . . . . . . . 4380 1 943 . 1 1 100 100 VAL CA C 13 61.02 0.1 . 1 . . . . . . . . 4380 1 944 . 1 1 100 100 VAL CB C 13 32.17 0.1 . 1 . . . . . . . . 4380 1 945 . 1 1 100 100 VAL CG1 C 13 21.74 0.1 . 2 . . . . . . . . 4380 1 946 . 1 1 100 100 VAL CG2 C 13 22.5 0.1 . 2 . . . . . . . . 4380 1 947 . 1 1 101 101 THR N N 15 120.594 0.1 . 1 . . . . . . . . 4380 1 948 . 1 1 101 101 THR H H 1 8.5275 0.01 . 1 . . . . . . . . 4380 1 949 . 1 1 101 101 THR HA H 1 4.583 0.01 . 1 . . . . . . . . 4380 1 950 . 1 1 101 101 THR HB H 1 4.357 0.01 . 1 . . . . . . . . 4380 1 951 . 1 1 101 101 THR HG21 H 1 1.115 0.01 . 1 . . . . . . . . 4380 1 952 . 1 1 101 101 THR HG22 H 1 1.115 0.01 . 1 . . . . . . . . 4380 1 953 . 1 1 101 101 THR HG23 H 1 1.115 0.01 . 1 . . . . . . . . 4380 1 954 . 1 1 101 101 THR C C 13 173.75 0.1 . 1 . . . . . . . . 4380 1 955 . 1 1 101 101 THR CA C 13 60.11 0.1 . 1 . . . . . . . . 4380 1 956 . 1 1 101 101 THR CB C 13 70.06 0.1 . 1 . . . . . . . . 4380 1 957 . 1 1 102 102 ASP N N 15 120.465 0.1 . 1 . . . . . . . . 4380 1 958 . 1 1 102 102 ASP H H 1 8.436 0.01 . 1 . . . . . . . . 4380 1 959 . 1 1 102 102 ASP HA H 1 4.58 0.01 . 1 . . . . . . . . 4380 1 960 . 1 1 102 102 ASP HB2 H 1 2.632 0.01 . 1 . . . . . . . . 4380 1 961 . 1 1 102 102 ASP HB3 H 1 2.632 0.01 . 1 . . . . . . . . 4380 1 962 . 1 1 102 102 ASP C C 13 176.39 0.1 . 1 . . . . . . . . 4380 1 963 . 1 1 102 102 ASP CA C 13 53.88 0.1 . 1 . . . . . . . . 4380 1 964 . 1 1 102 102 ASP CB C 13 41.78 0.1 . 1 . . . . . . . . 4380 1 965 . 1 1 103 103 GLN N N 15 122.815 0.1 . 1 . . . . . . . . 4380 1 966 . 1 1 103 103 GLN H H 1 9.1618 0.01 . 1 . . . . . . . . 4380 1 967 . 1 1 103 103 GLN HA H 1 4.382 0.01 . 1 . . . . . . . . 4380 1 968 . 1 1 103 103 GLN HB2 H 1 2.098 0.01 . 2 . . . . . . . . 4380 1 969 . 1 1 103 103 GLN HB3 H 1 2.06 0.01 . 2 . . . . . . . . 4380 1 970 . 1 1 103 103 GLN HG2 H 1 2.419 0.01 . 2 . . . . . . . . 4380 1 971 . 1 1 103 103 GLN HG3 H 1 2.347 0.01 . 2 . . . . . . . . 4380 1 972 . 1 1 103 103 GLN C C 13 175.62 0.1 . 1 . . . . . . . . 4380 1 973 . 1 1 103 103 GLN CA C 13 56.19 0.1 . 1 . . . . . . . . 4380 1 974 . 1 1 103 103 GLN CB C 13 29.24 0.1 . 1 . . . . . . . . 4380 1 975 . 1 1 104 104 ASN N N 15 121.15 0.1 . 1 . . . . . . . . 4380 1 976 . 1 1 104 104 ASN H H 1 8.7724 0.01 . 1 . . . . . . . . 4380 1 977 . 1 1 104 104 ASN C C 13 174.66 0.1 . 1 . . . . . . . . 4380 1 978 . 1 1 104 104 ASN CA C 13 53.17 0.1 . 1 . . . . . . . . 4380 1 979 . 1 1 104 104 ASN CB C 13 38.71 0.1 . 1 . . . . . . . . 4380 1 980 . 1 1 105 105 ASP N N 15 122.286 0.1 . 1 . . . . . . . . 4380 1 981 . 1 1 105 105 ASP H H 1 8.336 0.01 . 1 . . . . . . . . 4380 1 982 . 1 1 105 105 ASP HA H 1 4.5823 0.01 . 1 . . . . . . . . 4380 1 983 . 1 1 105 105 ASP HB2 H 1 2.665 0.01 . 1 . . . . . . . . 4380 1 984 . 1 1 105 105 ASP HB3 H 1 2.665 0.01 . 1 . . . . . . . . 4380 1 985 . 1 1 105 105 ASP C C 13 175.43 0.1 . 1 . . . . . . . . 4380 1 986 . 1 1 105 105 ASP CA C 13 53.91 0.1 . 1 . . . . . . . . 4380 1 987 . 1 1 105 105 ASP CB C 13 40.71 0.1 . 1 . . . . . . . . 4380 1 988 . 1 1 106 106 ASN N N 15 119.557 0.1 . 1 . . . . . . . . 4380 1 989 . 1 1 106 106 ASN H H 1 8.337 0.01 . 1 . . . . . . . . 4380 1 990 . 1 1 106 106 ASN HA H 1 4.69 0.01 . 1 . . . . . . . . 4380 1 991 . 1 1 106 106 ASN HB2 H 1 2.777 0.01 . 2 . . . . . . . . 4380 1 992 . 1 1 106 106 ASN HB3 H 1 2.68 0.01 . 2 . . . . . . . . 4380 1 993 . 1 1 106 106 ASN C C 13 174.51 0.1 . 1 . . . . . . . . 4380 1 994 . 1 1 106 106 ASN CA C 13 52.84 0.1 . 1 . . . . . . . . 4380 1 995 . 1 1 106 106 ASN CB C 13 38.56 0.1 . 1 . . . . . . . . 4380 1 996 . 1 1 107 107 ARG N N 15 122.747 0.1 . 1 . . . . . . . . 4380 1 997 . 1 1 107 107 ARG H H 1 8.1983 0.01 . 1 . . . . . . . . 4380 1 998 . 1 1 107 107 ARG HA H 1 4.5885 0.01 . 1 . . . . . . . . 4380 1 999 . 1 1 107 107 ARG HB2 H 1 1.86 0.01 . 2 . . . . . . . . 4380 1 1000 . 1 1 107 107 ARG HB3 H 1 1.753 0.01 . 2 . . . . . . . . 4380 1 1001 . 1 1 107 107 ARG HG2 H 1 1.666 0.01 . 1 . . . . . . . . 4380 1 1002 . 1 1 107 107 ARG HG3 H 1 1.666 0.01 . 1 . . . . . . . . 4380 1 1003 . 1 1 107 107 ARG HD2 H 1 3.214 0.01 . 1 . . . . . . . . 4380 1 1004 . 1 1 107 107 ARG HD3 H 1 3.214 0.01 . 1 . . . . . . . . 4380 1 1005 . 1 1 107 107 ARG CA C 13 53.81 0.1 . 1 . . . . . . . . 4380 1 1006 . 1 1 107 107 ARG CB C 13 29.79 0.1 . 1 . . . . . . . . 4380 1 1007 . 1 1 108 108 PRO HA H 1 4.406 0.01 . 1 . . . . . . . . 4380 1 1008 . 1 1 108 108 PRO HB2 H 1 2.26 0.01 . 2 . . . . . . . . 4380 1 1009 . 1 1 108 108 PRO HB3 H 1 1.846 0.01 . 2 . . . . . . . . 4380 1 1010 . 1 1 108 108 PRO HG2 H 1 2.011 0.01 . 1 . . . . . . . . 4380 1 1011 . 1 1 108 108 PRO HG3 H 1 2.011 0.01 . 1 . . . . . . . . 4380 1 1012 . 1 1 108 108 PRO HD2 H 1 3.9 0.01 . 2 . . . . . . . . 4380 1 1013 . 1 1 108 108 PRO HD3 H 1 3.708 0.01 . 2 . . . . . . . . 4380 1 1014 . 1 1 108 108 PRO C C 13 176.55 0.1 . 1 . . . . . . . . 4380 1 1015 . 1 1 108 108 PRO CA C 13 62.98 0.1 . 1 . . . . . . . . 4380 1 1016 . 1 1 108 108 PRO CB C 13 31.69 0.1 . 1 . . . . . . . . 4380 1 1017 . 1 1 109 109 GLU N N 15 121.107 0.1 . 1 . . . . . . . . 4380 1 1018 . 1 1 109 109 GLU H H 1 8.624 0.01 . 1 . . . . . . . . 4380 1 1019 . 1 1 109 109 GLU HA H 1 4.1606 0.01 . 1 . . . . . . . . 4380 1 1020 . 1 1 109 109 GLU HB2 H 1 1.901 0.01 . 2 . . . . . . . . 4380 1 1021 . 1 1 109 109 GLU HB3 H 1 1.86 0.01 . 2 . . . . . . . . 4380 1 1022 . 1 1 109 109 GLU HG2 H 1 2.2 0.01 . 2 . . . . . . . . 4380 1 1023 . 1 1 109 109 GLU HG3 H 1 2.1 0.01 . 2 . . . . . . . . 4380 1 1024 . 1 1 109 109 GLU C C 13 175.96 0.1 . 1 . . . . . . . . 4380 1 1025 . 1 1 109 109 GLU CA C 13 56.56 0.1 . 1 . . . . . . . . 4380 1 1026 . 1 1 109 109 GLU CB C 13 29.76 0.1 . 1 . . . . . . . . 4380 1 1027 . 1 1 109 109 GLU CG C 13 35.89 0.1 . 1 . . . . . . . . 4380 1 1028 . 1 1 110 110 PHE N N 15 121.135 0.1 . 1 . . . . . . . . 4380 1 1029 . 1 1 110 110 PHE H H 1 8.1628 0.01 . 1 . . . . . . . . 4380 1 1030 . 1 1 110 110 PHE HA H 1 4.583 0.01 . 1 . . . . . . . . 4380 1 1031 . 1 1 110 110 PHE HB2 H 1 3.21 0.01 . 2 . . . . . . . . 4380 1 1032 . 1 1 110 110 PHE HB3 H 1 3.037 0.01 . 2 . . . . . . . . 4380 1 1033 . 1 1 110 110 PHE HD1 H 1 6.648 0.01 . 1 . . . . . . . . 4380 1 1034 . 1 1 110 110 PHE HD2 H 1 6.648 0.01 . 1 . . . . . . . . 4380 1 1035 . 1 1 110 110 PHE HE1 H 1 7.16 0.01 . 1 . . . . . . . . 4380 1 1036 . 1 1 110 110 PHE HE2 H 1 7.16 0.01 . 1 . . . . . . . . 4380 1 1037 . 1 1 110 110 PHE HZ H 1 7.367 0.01 . 1 . . . . . . . . 4380 1 1038 . 1 1 110 110 PHE C C 13 175.35 0.1 . 1 . . . . . . . . 4380 1 1039 . 1 1 110 110 PHE CA C 13 57.14 0.1 . 1 . . . . . . . . 4380 1 1040 . 1 1 110 110 PHE CB C 13 39.18 0.1 . 1 . . . . . . . . 4380 1 1041 . 1 1 111 111 THR N N 15 116.801 0.1 . 1 . . . . . . . . 4380 1 1042 . 1 1 111 111 THR H H 1 8.0328 0.01 . 1 . . . . . . . . 4380 1 1043 . 1 1 111 111 THR HA H 1 4.281 0.01 . 1 . . . . . . . . 4380 1 1044 . 1 1 111 111 THR HB H 1 4.161 0.01 . 1 . . . . . . . . 4380 1 1045 . 1 1 111 111 THR HG21 H 1 1.169 0.01 . 1 . . . . . . . . 4380 1 1046 . 1 1 111 111 THR HG22 H 1 1.169 0.01 . 1 . . . . . . . . 4380 1 1047 . 1 1 111 111 THR HG23 H 1 1.169 0.01 . 1 . . . . . . . . 4380 1 1048 . 1 1 111 111 THR C C 13 173.62 0.1 . 1 . . . . . . . . 4380 1 1049 . 1 1 111 111 THR CA C 13 61.36 0.1 . 1 . . . . . . . . 4380 1 1050 . 1 1 111 111 THR CB C 13 69.59 0.1 . 1 . . . . . . . . 4380 1 1051 . 1 1 112 112 GLN N N 15 123.321 0.1 . 1 . . . . . . . . 4380 1 1052 . 1 1 112 112 GLN H H 1 8.3196 0.01 . 1 . . . . . . . . 4380 1 1053 . 1 1 112 112 GLN HA H 1 4.315 0.01 . 1 . . . . . . . . 4380 1 1054 . 1 1 112 112 GLN HB2 H 1 2.095 0.01 . 2 . . . . . . . . 4380 1 1055 . 1 1 112 112 GLN HB3 H 1 1.984 0.01 . 2 . . . . . . . . 4380 1 1056 . 1 1 112 112 GLN HG2 H 1 2.345 0.01 . 1 . . . . . . . . 4380 1 1057 . 1 1 112 112 GLN HG3 H 1 2.345 0.01 . 1 . . . . . . . . 4380 1 1058 . 1 1 112 112 GLN C C 13 175.31 0.1 . 1 . . . . . . . . 4380 1 1059 . 1 1 112 112 GLN CA C 13 55.51 0.1 . 1 . . . . . . . . 4380 1 1060 . 1 1 112 112 GLN CB C 13 29.28 0.1 . 1 . . . . . . . . 4380 1 1061 . 1 1 112 112 GLN CG C 13 33.5 0.1 . 1 . . . . . . . . 4380 1 1062 . 1 1 113 113 GLU N N 15 123.414 0.1 . 1 . . . . . . . . 4380 1 1063 . 1 1 113 113 GLU H H 1 8.448 0.01 . 1 . . . . . . . . 4380 1 1064 . 1 1 113 113 GLU HA H 1 4.247 0.01 . 1 . . . . . . . . 4380 1 1065 . 1 1 113 113 GLU HB2 H 1 2.021 0.01 . 2 . . . . . . . . 4380 1 1066 . 1 1 113 113 GLU HB3 H 1 1.908 0.01 . 2 . . . . . . . . 4380 1 1067 . 1 1 113 113 GLU HG2 H 1 2.216 0.01 . 1 . . . . . . . . 4380 1 1068 . 1 1 113 113 GLU HG3 H 1 2.216 0.01 . 1 . . . . . . . . 4380 1 1069 . 1 1 113 113 GLU C C 13 175.79 0.1 . 1 . . . . . . . . 4380 1 1070 . 1 1 113 113 GLU CA C 13 56.33 0.1 . 1 . . . . . . . . 4380 1 1071 . 1 1 113 113 GLU CB C 13 29.95 0.1 . 1 . . . . . . . . 4380 1 1072 . 1 1 113 113 GLU CG C 13 35.88 0.1 . 1 . . . . . . . . 4380 1 1073 . 1 1 114 114 VAL N N 15 121.807 0.1 . 1 . . . . . . . . 4380 1 1074 . 1 1 114 114 VAL H H 1 8.1075 0.01 . 1 . . . . . . . . 4380 1 1075 . 1 1 114 114 VAL HA H 1 4.039 0.01 . 1 . . . . . . . . 4380 1 1076 . 1 1 114 114 VAL HB H 1 1.97 0.01 . 1 . . . . . . . . 4380 1 1077 . 1 1 114 114 VAL HG11 H 1 0.865 0.01 . 2 . . . . . . . . 4380 1 1078 . 1 1 114 114 VAL HG12 H 1 0.865 0.01 . 2 . . . . . . . . 4380 1 1079 . 1 1 114 114 VAL HG13 H 1 0.865 0.01 . 2 . . . . . . . . 4380 1 1080 . 1 1 114 114 VAL HG21 H 1 0.84 0.01 . 2 . . . . . . . . 4380 1 1081 . 1 1 114 114 VAL HG22 H 1 0.84 0.01 . 2 . . . . . . . . 4380 1 1082 . 1 1 114 114 VAL HG23 H 1 0.84 0.01 . 2 . . . . . . . . 4380 1 1083 . 1 1 114 114 VAL C C 13 175.33 0.1 . 1 . . . . . . . . 4380 1 1084 . 1 1 114 114 VAL CA C 13 61.76 0.1 . 1 . . . . . . . . 4380 1 1085 . 1 1 114 114 VAL CB C 13 32.7 0.1 . 1 . . . . . . . . 4380 1 1086 . 1 1 115 115 PHE N N 15 125.174 0.1 . 1 . . . . . . . . 4380 1 1087 . 1 1 115 115 PHE H H 1 8.3724 0.01 . 1 . . . . . . . . 4380 1 1088 . 1 1 115 115 PHE HA H 1 4.637 0.01 . 1 . . . . . . . . 4380 1 1089 . 1 1 115 115 PHE HB2 H 1 3.114 0.01 . 2 . . . . . . . . 4380 1 1090 . 1 1 115 115 PHE HB3 H 1 3.02 0.01 . 2 . . . . . . . . 4380 1 1091 . 1 1 115 115 PHE HD1 H 1 7.256 0.01 . 1 . . . . . . . . 4380 1 1092 . 1 1 115 115 PHE HD2 H 1 7.256 0.01 . 1 . . . . . . . . 4380 1 1093 . 1 1 115 115 PHE HE1 H 1 7.336 0.01 . 1 . . . . . . . . 4380 1 1094 . 1 1 115 115 PHE HE2 H 1 7.336 0.01 . 1 . . . . . . . . 4380 1 1095 . 1 1 115 115 PHE HZ H 1 7.288 0.01 . 1 . . . . . . . . 4380 1 1096 . 1 1 115 115 PHE C C 13 175.32 0.1 . 1 . . . . . . . . 4380 1 1097 . 1 1 115 115 PHE CA C 13 57.18 0.1 . 1 . . . . . . . . 4380 1 1098 . 1 1 115 115 PHE CB C 13 39.48 0.1 . 1 . . . . . . . . 4380 1 1099 . 1 1 116 116 GLU N N 15 124.389 0.1 . 1 . . . . . . . . 4380 1 1100 . 1 1 116 116 GLU H H 1 8.4437 0.01 . 1 . . . . . . . . 4380 1 1101 . 1 1 116 116 GLU HA H 1 4.2303 0.01 . 1 . . . . . . . . 4380 1 1102 . 1 1 116 116 GLU HB2 H 1 1.979 0.01 . 2 . . . . . . . . 4380 1 1103 . 1 1 116 116 GLU HB3 H 1 1.871 0.01 . 2 . . . . . . . . 4380 1 1104 . 1 1 116 116 GLU HG2 H 1 2.186 0.01 . 1 . . . . . . . . 4380 1 1105 . 1 1 116 116 GLU HG3 H 1 2.186 0.01 . 1 . . . . . . . . 4380 1 1106 . 1 1 116 116 GLU C C 13 176.22 0.1 . 1 . . . . . . . . 4380 1 1107 . 1 1 116 116 GLU CA C 13 56.39 0.1 . 1 . . . . . . . . 4380 1 1108 . 1 1 116 116 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 4380 1 1109 . 1 1 117 117 GLY N N 15 110.227 0.1 . 1 . . . . . . . . 4380 1 1110 . 1 1 117 117 GLY H H 1 7.9794 0.01 . 1 . . . . . . . . 4380 1 1111 . 1 1 117 117 GLY HA2 H 1 4.242 0.01 . 2 . . . . . . . . 4380 1 1112 . 1 1 117 117 GLY HA3 H 1 3.909 0.01 . 2 . . . . . . . . 4380 1 1113 . 1 1 117 117 GLY C C 13 173.66 0.1 . 1 . . . . . . . . 4380 1 1114 . 1 1 117 117 GLY CA C 13 45.04 0.1 . 1 . . . . . . . . 4380 1 1115 . 1 1 118 118 SER N N 15 116.232 0.1 . 1 . . . . . . . . 4380 1 1116 . 1 1 118 118 SER H H 1 8.1866 0.01 . 1 . . . . . . . . 4380 1 1117 . 1 1 118 118 SER HA H 1 4.485 0.01 . 1 . . . . . . . . 4380 1 1118 . 1 1 118 118 SER HB2 H 1 3.84 0.01 . 2 . . . . . . . . 4380 1 1119 . 1 1 118 118 SER HB3 H 1 3.8 0.01 . 2 . . . . . . . . 4380 1 1120 . 1 1 118 118 SER C C 13 174.02 0.1 . 1 . . . . . . . . 4380 1 1121 . 1 1 118 118 SER CA C 13 57.93 0.1 . 1 . . . . . . . . 4380 1 1122 . 1 1 118 118 SER CB C 13 63.56 0.1 . 1 . . . . . . . . 4380 1 1123 . 1 1 119 119 VAL N N 15 122.284 0.1 . 1 . . . . . . . . 4380 1 1124 . 1 1 119 119 VAL H H 1 8.1327 0.01 . 1 . . . . . . . . 4380 1 1125 . 1 1 119 119 VAL HA H 1 4.1091 0.01 . 1 . . . . . . . . 4380 1 1126 . 1 1 119 119 VAL HB H 1 2.067 0.01 . 1 . . . . . . . . 4380 1 1127 . 1 1 119 119 VAL HG11 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1128 . 1 1 119 119 VAL HG12 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1129 . 1 1 119 119 VAL HG13 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1130 . 1 1 119 119 VAL HG21 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1131 . 1 1 119 119 VAL HG22 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1132 . 1 1 119 119 VAL HG23 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1133 . 1 1 119 119 VAL C C 13 175.64 0.1 . 1 . . . . . . . . 4380 1 1134 . 1 1 119 119 VAL CA C 13 61.97 0.1 . 1 . . . . . . . . 4380 1 1135 . 1 1 119 119 VAL CB C 13 32.47 0.1 . 1 . . . . . . . . 4380 1 1136 . 1 1 120 120 ALA N N 15 128.164 0.1 . 1 . . . . . . . . 4380 1 1137 . 1 1 120 120 ALA H H 1 8.3294 0.01 . 1 . . . . . . . . 4380 1 1138 . 1 1 120 120 ALA HA H 1 4.2861 0.01 . 1 . . . . . . . . 4380 1 1139 . 1 1 120 120 ALA HB1 H 1 1.356 0.01 . 1 . . . . . . . . 4380 1 1140 . 1 1 120 120 ALA HB2 H 1 1.356 0.01 . 1 . . . . . . . . 4380 1 1141 . 1 1 120 120 ALA HB3 H 1 1.356 0.01 . 1 . . . . . . . . 4380 1 1142 . 1 1 120 120 ALA C C 13 177.36 0.1 . 1 . . . . . . . . 4380 1 1143 . 1 1 120 120 ALA CA C 13 52.13 0.1 . 1 . . . . . . . . 4380 1 1144 . 1 1 120 120 ALA CB C 13 18.97 0.1 . 1 . . . . . . . . 4380 1 1145 . 1 1 121 121 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 4380 1 1146 . 1 1 121 121 GLU H H 1 8.3361 0.01 . 1 . . . . . . . . 4380 1 1147 . 1 1 121 121 GLU HA H 1 4.247 0.01 . 1 . . . . . . . . 4380 1 1148 . 1 1 121 121 GLU HB2 H 1 2.059 0.01 . 2 . . . . . . . . 4380 1 1149 . 1 1 121 121 GLU HB3 H 1 1.963 0.01 . 2 . . . . . . . . 4380 1 1150 . 1 1 121 121 GLU HG2 H 1 2.277 0.01 . 1 . . . . . . . . 4380 1 1151 . 1 1 121 121 GLU HG3 H 1 2.277 0.01 . 1 . . . . . . . . 4380 1 1152 . 1 1 121 121 GLU C C 13 176.75 0.1 . 1 . . . . . . . . 4380 1 1153 . 1 1 121 121 GLU CA C 13 56.6 0.1 . 1 . . . . . . . . 4380 1 1154 . 1 1 121 121 GLU CB C 13 29.97 0.1 . 1 . . . . . . . . 4380 1 1155 . 1 1 121 121 GLU CG C 13 35.95 0.1 . 1 . . . . . . . . 4380 1 1156 . 1 1 122 122 GLY N N 15 110.757 0.1 . 1 . . . . . . . . 4380 1 1157 . 1 1 122 122 GLY H H 1 8.386 0.01 . 1 . . . . . . . . 4380 1 1158 . 1 1 122 122 GLY HA2 H 1 4.223 0.01 . 2 . . . . . . . . 4380 1 1159 . 1 1 122 122 GLY HA3 H 1 3.92 0.01 . 2 . . . . . . . . 4380 1 1160 . 1 1 122 122 GLY C C 13 173.35 0.1 . 1 . . . . . . . . 4380 1 1161 . 1 1 122 122 GLY CA C 13 44.87 0.1 . 1 . . . . . . . . 4380 1 1162 . 1 1 123 123 ALA N N 15 124.122 0.1 . 1 . . . . . . . . 4380 1 1163 . 1 1 123 123 ALA H H 1 8.0369 0.01 . 1 . . . . . . . . 4380 1 1164 . 1 1 123 123 ALA HA H 1 4.35 0.01 . 1 . . . . . . . . 4380 1 1165 . 1 1 123 123 ALA HB1 H 1 1.35 0.01 . 1 . . . . . . . . 4380 1 1166 . 1 1 123 123 ALA HB2 H 1 1.35 0.01 . 1 . . . . . . . . 4380 1 1167 . 1 1 123 123 ALA HB3 H 1 1.35 0.01 . 1 . . . . . . . . 4380 1 1168 . 1 1 123 123 ALA C C 13 177.24 0.1 . 1 . . . . . . . . 4380 1 1169 . 1 1 123 123 ALA CA C 13 51.96 0.1 . 1 . . . . . . . . 4380 1 1170 . 1 1 123 123 ALA CB C 13 19.18 0.1 . 1 . . . . . . . . 4380 1 1171 . 1 1 124 124 VAL N N 15 121.406 0.1 . 1 . . . . . . . . 4380 1 1172 . 1 1 124 124 VAL H H 1 8.1489 0.01 . 1 . . . . . . . . 4380 1 1173 . 1 1 124 124 VAL HA H 1 4.414 0.01 . 1 . . . . . . . . 4380 1 1174 . 1 1 124 124 VAL HB H 1 2.083 0.01 . 1 . . . . . . . . 4380 1 1175 . 1 1 124 124 VAL HG11 H 1 0.973 0.01 . 2 . . . . . . . . 4380 1 1176 . 1 1 124 124 VAL HG12 H 1 0.973 0.01 . 2 . . . . . . . . 4380 1 1177 . 1 1 124 124 VAL HG13 H 1 0.973 0.01 . 2 . . . . . . . . 4380 1 1178 . 1 1 124 124 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 4380 1 1179 . 1 1 124 124 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 4380 1 1180 . 1 1 124 124 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 4380 1 1181 . 1 1 124 124 VAL CA C 13 59.55 0.1 . 1 . . . . . . . . 4380 1 1182 . 1 1 124 124 VAL CB C 13 32.27 0.1 . 1 . . . . . . . . 4380 1 1183 . 1 1 124 124 VAL CG1 C 13 20.87 0.1 . 2 . . . . . . . . 4380 1 1184 . 1 1 125 125 PRO HA H 1 4.416 0.01 . 1 . . . . . . . . 4380 1 1185 . 1 1 125 125 PRO HB2 H 1 2.318 0.01 . 2 . . . . . . . . 4380 1 1186 . 1 1 125 125 PRO HB3 H 1 1.96 0.01 . 2 . . . . . . . . 4380 1 1187 . 1 1 125 125 PRO HG2 H 1 2.081 0.01 . 2 . . . . . . . . 4380 1 1188 . 1 1 125 125 PRO HG3 H 1 2.004 0.01 . 2 . . . . . . . . 4380 1 1189 . 1 1 125 125 PRO HD2 H 1 3.9 0.01 . 2 . . . . . . . . 4380 1 1190 . 1 1 125 125 PRO HD3 H 1 3.708 0.01 . 2 . . . . . . . . 4380 1 1191 . 1 1 125 125 PRO C C 13 177.19 0.1 . 1 . . . . . . . . 4380 1 1192 . 1 1 125 125 PRO CA C 13 63.26 0.1 . 1 . . . . . . . . 4380 1 1193 . 1 1 125 125 PRO CB C 13 31.82 0.1 . 1 . . . . . . . . 4380 1 1194 . 1 1 127 127 THR N N 15 113.617 0.1 . 1 . . . . . . . . 4380 1 1195 . 1 1 127 127 THR H H 1 7.9809 0.01 . 1 . . . . . . . . 4380 1 1196 . 1 1 127 127 THR HA H 1 4.374 0.01 . 1 . . . . . . . . 4380 1 1197 . 1 1 127 127 THR HB H 1 4.251 0.01 . 1 . . . . . . . . 4380 1 1198 . 1 1 127 127 THR HG21 H 1 1.203 0.01 . 1 . . . . . . . . 4380 1 1199 . 1 1 127 127 THR HG22 H 1 1.203 0.01 . 1 . . . . . . . . 4380 1 1200 . 1 1 127 127 THR HG23 H 1 1.203 0.01 . 1 . . . . . . . . 4380 1 1201 . 1 1 127 127 THR C C 13 174.32 0.1 . 1 . . . . . . . . 4380 1 1202 . 1 1 127 127 THR CA C 13 61.52 0.1 . 1 . . . . . . . . 4380 1 1203 . 1 1 127 127 THR CB C 13 69.62 0.1 . 1 . . . . . . . . 4380 1 1204 . 1 1 128 128 SER N N 15 118.921 0.1 . 1 . . . . . . . . 4380 1 1205 . 1 1 128 128 SER H H 1 8.3846 0.01 . 1 . . . . . . . . 4380 1 1206 . 1 1 128 128 SER HA H 1 4.506 0.01 . 1 . . . . . . . . 4380 1 1207 . 1 1 128 128 SER HB2 H 1 3.861 0.01 . 2 . . . . . . . . 4380 1 1208 . 1 1 128 128 SER C C 13 174.31 0.1 . 1 . . . . . . . . 4380 1 1209 . 1 1 128 128 SER CA C 13 58.01 0.1 . 1 . . . . . . . . 4380 1 1210 . 1 1 128 128 SER CB C 13 63.45 0.1 . 1 . . . . . . . . 4380 1 1211 . 1 1 129 129 VAL N N 15 122.208 0.1 . 1 . . . . . . . . 4380 1 1212 . 1 1 129 129 VAL H H 1 8.1805 0.01 . 1 . . . . . . . . 4380 1 1213 . 1 1 129 129 VAL HA H 1 4.132 0.01 . 1 . . . . . . . . 4380 1 1214 . 1 1 129 129 VAL HB H 1 2.086 0.01 . 1 . . . . . . . . 4380 1 1215 . 1 1 129 129 VAL HG11 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1216 . 1 1 129 129 VAL HG12 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1217 . 1 1 129 129 VAL HG13 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1218 . 1 1 129 129 VAL HG21 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1219 . 1 1 129 129 VAL HG22 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1220 . 1 1 129 129 VAL HG23 H 1 0.928 0.01 . 1 . . . . . . . . 4380 1 1221 . 1 1 129 129 VAL C C 13 175.64 0.1 . 1 . . . . . . . . 4380 1 1222 . 1 1 129 129 VAL CA C 13 61.93 0.1 . 1 . . . . . . . . 4380 1 1223 . 1 1 129 129 VAL CB C 13 32.49 0.1 . 1 . . . . . . . . 4380 1 1224 . 1 1 130 130 MET N N 15 124.842 0.1 . 1 . . . . . . . . 4380 1 1225 . 1 1 130 130 MET H H 1 8.3658 0.01 . 1 . . . . . . . . 4380 1 1226 . 1 1 130 130 MET HA H 1 4.48 0.01 . 1 . . . . . . . . 4380 1 1227 . 1 1 130 130 MET HB2 H 1 2.037 0.01 . 2 . . . . . . . . 4380 1 1228 . 1 1 130 130 MET HB3 H 1 2.003 0.01 . 2 . . . . . . . . 4380 1 1229 . 1 1 130 130 MET HG2 H 1 2.589 0.01 . 2 . . . . . . . . 4380 1 1230 . 1 1 130 130 MET HG3 H 1 2.527 0.01 . 2 . . . . . . . . 4380 1 1231 . 1 1 130 130 MET C C 13 175.48 0.1 . 1 . . . . . . . . 4380 1 1232 . 1 1 130 130 MET CA C 13 55.06 0.1 . 1 . . . . . . . . 4380 1 1233 . 1 1 130 130 MET CB C 13 32.58 0.1 . 1 . . . . . . . . 4380 1 1234 . 1 1 130 130 MET CG C 13 31.61 0.1 . 1 . . . . . . . . 4380 1 1235 . 1 1 131 131 LYS N N 15 124.43 0.01 . 1 . . . . . . . . 4380 1 1236 . 1 1 131 131 LYS H H 1 8.3467 0.01 . 1 . . . . . . . . 4380 1 1237 . 1 1 131 131 LYS HB3 H 1 1.779 0.01 . 2 . . . . . . . . 4380 1 1238 . 1 1 131 131 LYS HG2 H 1 1.738 0.01 . 2 . . . . . . . . 4380 1 1239 . 1 1 131 131 LYS HG3 H 1 1.397 0.01 . 2 . . . . . . . . 4380 1 1240 . 1 1 131 131 LYS C C 13 175.95 0.1 . 1 . . . . . . . . 4380 1 1241 . 1 1 131 131 LYS CA C 13 55.71 0.1 . 1 . . . . . . . . 4380 1 1242 . 1 1 131 131 LYS CB C 13 32.89 0.1 . 1 . . . . . . . . 4380 1 1243 . 1 1 132 132 VAL N N 15 122.672 0.01 . 1 . . . . . . . . 4380 1 1244 . 1 1 132 132 VAL H H 1 8.2425 0.01 . 1 . . . . . . . . 4380 1 1245 . 1 1 132 132 VAL HG21 H 1 0.927 0.01 . 2 . . . . . . . . 4380 1 1246 . 1 1 132 132 VAL HG22 H 1 0.927 0.01 . 2 . . . . . . . . 4380 1 1247 . 1 1 132 132 VAL HG23 H 1 0.927 0.01 . 2 . . . . . . . . 4380 1 1248 . 1 1 132 132 VAL C C 13 175.78 0.1 . 1 . . . . . . . . 4380 1 1249 . 1 1 132 132 VAL CA C 13 61.83 0.1 . 1 . . . . . . . . 4380 1 1250 . 1 1 132 132 VAL CB C 13 32.74 0.1 . 2 . . . . . . . . 4380 1 1251 . 1 1 133 133 SER N N 15 120.445 0.01 . 1 . . . . . . . . 4380 1 1252 . 1 1 133 133 SER H H 1 8.435 0.01 . 1 . . . . . . . . 4380 1 1253 . 1 1 133 133 SER HB3 H 1 3.838 0.01 . 2 . . . . . . . . 4380 1 1254 . 1 1 133 133 SER C C 13 173.84 0.1 . 1 . . . . . . . . 4380 1 1255 . 1 1 133 133 SER CA C 13 57.65 0.1 . 1 . . . . . . . . 4380 1 1256 . 1 1 134 134 ALA N N 15 127.23 0.1 . 1 . . . . . . . . 4380 1 1257 . 1 1 134 134 ALA H H 1 8.4758 0.01 . 1 . . . . . . . . 4380 1 1258 . 1 1 134 134 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 4380 1 1259 . 1 1 134 134 ALA CA C 13 52.39 0.1 . 1 . . . . . . . . 4380 1 1260 . 1 1 135 135 THR N N 15 113.111 0.1 . 1 . . . . . . . . 4380 1 1261 . 1 1 135 135 THR H H 1 8.1616 0.01 . 1 . . . . . . . . 4380 1 1262 . 1 1 135 135 THR HA H 1 4.376 0.01 . 1 . . . . . . . . 4380 1 1263 . 1 1 135 135 THR HB H 1 4.263 0.01 . 1 . . . . . . . . 4380 1 1264 . 1 1 135 135 THR HG21 H 1 1.197 0.01 . 1 . . . . . . . . 4380 1 1265 . 1 1 135 135 THR HG22 H 1 1.197 0.01 . 1 . . . . . . . . 4380 1 1266 . 1 1 135 135 THR HG23 H 1 1.197 0.01 . 1 . . . . . . . . 4380 1 1267 . 1 1 135 135 THR C C 13 174.11 0.1 . 1 . . . . . . . . 4380 1 1268 . 1 1 135 135 THR CA C 13 61.35 0.1 . 1 . . . . . . . . 4380 1 1269 . 1 1 135 135 THR CB C 13 69.52 0.1 . 1 . . . . . . . . 4380 1 1270 . 1 1 136 136 ASP N N 15 123.222 0.1 . 1 . . . . . . . . 4380 1 1271 . 1 1 136 136 ASP H H 1 8.3022 0.01 . 1 . . . . . . . . 4380 1 1272 . 1 1 136 136 ASP HA H 1 4.6024 0.01 . 1 . . . . . . . . 4380 1 1273 . 1 1 136 136 ASP HB2 H 1 2.668 0.01 . 1 . . . . . . . . 4380 1 1274 . 1 1 136 136 ASP HB3 H 1 2.668 0.01 . 1 . . . . . . . . 4380 1 1275 . 1 1 136 136 ASP C C 13 174.11 0.1 . 1 . . . . . . . . 4380 1 1276 . 1 1 136 136 ASP CA C 13 54.08 0.1 . 1 . . . . . . . . 4380 1 1277 . 1 1 136 136 ASP CB C 13 40.83 0.1 . 1 . . . . . . . . 4380 1 1278 . 1 1 137 137 ALA N N 15 124.73 0.1 . 1 . . . . . . . . 4380 1 1279 . 1 1 137 137 ALA H H 1 8.1838 0.01 . 1 . . . . . . . . 4380 1 1280 . 1 1 137 137 ALA HA H 1 4.299 0.01 . 1 . . . . . . . . 4380 1 1281 . 1 1 137 137 ALA HB1 H 1 1.38 0.01 . 1 . . . . . . . . 4380 1 1282 . 1 1 137 137 ALA HB2 H 1 1.38 0.01 . 1 . . . . . . . . 4380 1 1283 . 1 1 137 137 ALA HB3 H 1 1.38 0.01 . 1 . . . . . . . . 4380 1 1284 . 1 1 137 137 ALA C C 13 177.22 0.1 . 1 . . . . . . . . 4380 1 1285 . 1 1 137 137 ALA CA C 13 52.34 0.1 . 1 . . . . . . . . 4380 1 1286 . 1 1 137 137 ALA CB C 13 19.21 0.1 . 1 . . . . . . . . 4380 1 1287 . 1 1 138 138 ASP N N 15 120.108 0.1 . 1 . . . . . . . . 4380 1 1288 . 1 1 138 138 ASP H H 1 8.2676 0.01 . 1 . . . . . . . . 4380 1 1289 . 1 1 138 138 ASP HA H 1 4.5885 0.01 . 1 . . . . . . . . 4380 1 1290 . 1 1 138 138 ASP HB2 H 1 2.711 0.01 . 2 . . . . . . . . 4380 1 1291 . 1 1 138 138 ASP HB3 H 1 2.627 0.01 . 2 . . . . . . . . 4380 1 1292 . 1 1 138 138 ASP C C 13 175.75 0.1 . 1 . . . . . . . . 4380 1 1293 . 1 1 138 138 ASP CA C 13 54.09 0.1 . 1 . . . . . . . . 4380 1 1294 . 1 1 138 138 ASP CB C 13 40.88 0.1 . 1 . . . . . . . . 4380 1 1295 . 1 1 139 139 ASP N N 15 121.292 0.1 . 1 . . . . . . . . 4380 1 1296 . 1 1 139 139 ASP H H 1 8.2847 0.01 . 1 . . . . . . . . 4380 1 1297 . 1 1 139 139 ASP HA H 1 4.6137 0.01 . 1 . . . . . . . . 4380 1 1298 . 1 1 139 139 ASP HB2 H 1 2.72 0.01 . 2 . . . . . . . . 4380 1 1299 . 1 1 139 139 ASP HB3 H 1 2.627 0.01 . 2 . . . . . . . . 4380 1 1300 . 1 1 139 139 ASP C C 13 175.79 0.1 . 1 . . . . . . . . 4380 1 1301 . 1 1 139 139 ASP CA C 13 54.09 0.1 . 1 . . . . . . . . 4380 1 1302 . 1 1 139 139 ASP CB C 13 40.87 0.1 . 1 . . . . . . . . 4380 1 1303 . 1 1 140 140 ASP N N 15 121.091 0.1 . 1 . . . . . . . . 4380 1 1304 . 1 1 140 140 ASP H H 1 8.166 0.01 . 1 . . . . . . . . 4380 1 1305 . 1 1 140 140 ASP HA H 1 4.5704 0.01 . 1 . . . . . . . . 4380 1 1306 . 1 1 140 140 ASP HB2 H 1 2.658 0.01 . 1 . . . . . . . . 4380 1 1307 . 1 1 140 140 ASP HB3 H 1 2.658 0.01 . 1 . . . . . . . . 4380 1 1308 . 1 1 140 140 ASP C C 13 176.23 0.1 . 1 . . . . . . . . 4380 1 1309 . 1 1 140 140 ASP CA C 13 54.07 0.1 . 1 . . . . . . . . 4380 1 1310 . 1 1 140 140 ASP CB C 13 40.94 0.1 . 1 . . . . . . . . 4380 1 1311 . 1 1 141 141 VAL N N 15 120.44 0.1 . 1 . . . . . . . . 4380 1 1312 . 1 1 141 141 VAL H H 1 8.0298 0.01 . 1 . . . . . . . . 4380 1 1313 . 1 1 141 141 VAL HA H 1 4.0556 0.01 . 1 . . . . . . . . 4380 1 1314 . 1 1 141 141 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 4380 1 1315 . 1 1 141 141 VAL HG11 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1316 . 1 1 141 141 VAL HG12 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1317 . 1 1 141 141 VAL HG13 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1318 . 1 1 141 141 VAL HG21 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1319 . 1 1 141 141 VAL HG22 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1320 . 1 1 141 141 VAL HG23 H 1 0.929 0.01 . 1 . . . . . . . . 4380 1 1321 . 1 1 141 141 VAL C C 13 175.86 0.1 . 1 . . . . . . . . 4380 1 1322 . 1 1 141 141 VAL CA C 13 62.33 0.1 . 1 . . . . . . . . 4380 1 1323 . 1 1 141 141 VAL CB C 13 32.13 0.1 . 1 . . . . . . . . 4380 1 1324 . 1 1 142 142 ASN N N 15 122.042 0.1 . 1 . . . . . . . . 4380 1 1325 . 1 1 142 142 ASN H H 1 8.4661 0.01 . 1 . . . . . . . . 4380 1 1326 . 1 1 142 142 ASN HA H 1 4.728 0.01 . 1 . . . . . . . . 4380 1 1327 . 1 1 142 142 ASN HB2 H 1 2.762 0.01 . 1 . . . . . . . . 4380 1 1328 . 1 1 142 142 ASN HB3 H 1 2.762 0.01 . 1 . . . . . . . . 4380 1 1329 . 1 1 142 142 ASN C C 13 175.07 0.1 . 1 . . . . . . . . 4380 1 1330 . 1 1 142 142 ASN CA C 13 53.07 0.1 . 1 . . . . . . . . 4380 1 1331 . 1 1 142 142 ASN CB C 13 38.74 0.1 . 1 . . . . . . . . 4380 1 1332 . 1 1 143 143 THR N N 15 114.868 0.1 . 1 . . . . . . . . 4380 1 1333 . 1 1 143 143 THR H H 1 7.9852 0.01 . 1 . . . . . . . . 4380 1 1334 . 1 1 143 143 THR HA H 1 4.25 0.01 . 1 . . . . . . . . 4380 1 1335 . 1 1 143 143 THR HB H 1 4.154 0.01 . 1 . . . . . . . . 4380 1 1336 . 1 1 143 143 THR HG21 H 1 1.113 0.01 . 1 . . . . . . . . 4380 1 1337 . 1 1 143 143 THR HG22 H 1 1.113 0.01 . 1 . . . . . . . . 4380 1 1338 . 1 1 143 143 THR HG23 H 1 1.113 0.01 . 1 . . . . . . . . 4380 1 1339 . 1 1 143 143 THR C C 13 173.91 0.1 . 1 . . . . . . . . 4380 1 1340 . 1 1 143 143 THR CA C 13 61.72 0.1 . 1 . . . . . . . . 4380 1 1341 . 1 1 143 143 THR CB C 13 69.24 0.1 . 1 . . . . . . . . 4380 1 1342 . 1 1 144 144 TYR N N 15 122.906 0.1 . 1 . . . . . . . . 4380 1 1343 . 1 1 144 144 TYR H H 1 8.1735 0.01 . 1 . . . . . . . . 4380 1 1344 . 1 1 144 144 TYR HA H 1 4.542 0.01 . 1 . . . . . . . . 4380 1 1345 . 1 1 144 144 TYR HB2 H 1 3.069 0.01 . 2 . . . . . . . . 4380 1 1346 . 1 1 144 144 TYR HB3 H 1 2.969 0.01 . 2 . . . . . . . . 4380 1 1347 . 1 1 144 144 TYR HD1 H 1 7.121 0.01 . 1 . . . . . . . . 4380 1 1348 . 1 1 144 144 TYR HD2 H 1 7.121 0.01 . 1 . . . . . . . . 4380 1 1349 . 1 1 144 144 TYR HE1 H 1 6.818 0.01 . 1 . . . . . . . . 4380 1 1350 . 1 1 144 144 TYR HE2 H 1 6.818 0.01 . 1 . . . . . . . . 4380 1 1351 . 1 1 144 144 TYR C C 13 175.03 0.1 . 1 . . . . . . . . 4380 1 1352 . 1 1 144 144 TYR CA C 13 57.65 0.1 . 1 . . . . . . . . 4380 1 1353 . 1 1 144 144 TYR CB C 13 38.28 0.1 . 1 . . . . . . . . 4380 1 1354 . 1 1 145 145 ASN N N 15 121.968 0.1 . 1 . . . . . . . . 4380 1 1355 . 1 1 145 145 ASN H H 1 8.2424 0.01 . 1 . . . . . . . . 4380 1 1356 . 1 1 145 145 ASN HA H 1 4.679 0.01 . 1 . . . . . . . . 4380 1 1357 . 1 1 145 145 ASN HB2 H 1 2.738 0.01 . 2 . . . . . . . . 4380 1 1358 . 1 1 145 145 ASN HB3 H 1 2.631 0.01 . 2 . . . . . . . . 4380 1 1359 . 1 1 145 145 ASN C C 13 173.15 0.1 . 1 . . . . . . . . 4380 1 1360 . 1 1 145 145 ASN CA C 13 52.76 0.1 . 1 . . . . . . . . 4380 1 1361 . 1 1 145 145 ASN CB C 13 38.81 0.1 . 1 . . . . . . . . 4380 1 1362 . 1 1 146 146 ALA N N 15 130.417 0.1 . 1 . . . . . . . . 4380 1 1363 . 1 1 146 146 ALA H H 1 7.7617 0.01 . 1 . . . . . . . . 4380 1 1364 . 1 1 146 146 ALA HA H 1 4.07 0.01 . 1 . . . . . . . . 4380 1 1365 . 1 1 146 146 ALA HB1 H 1 1.316 0.01 . 1 . . . . . . . . 4380 1 1366 . 1 1 146 146 ALA HB2 H 1 1.316 0.01 . 1 . . . . . . . . 4380 1 1367 . 1 1 146 146 ALA HB3 H 1 1.316 0.01 . 1 . . . . . . . . 4380 1 1368 . 1 1 146 146 ALA CA C 13 53.49 0.1 . 1 . . . . . . . . 4380 1 1369 . 1 1 146 146 ALA CB C 13 19.82 0.1 . 1 . . . . . . . . 4380 1 stop_ save_