data_19206 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19206 _Entry.Title ; 1H, 13C and 15N backbone and side-chain resonance assignments of a family 36 carbohydrate binding module of Xylanase from Paenibacillus campinasensis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-30 _Entry.Accession_date 2013-04-30 _Entry.Last_release_date 2014-02-13 _Entry.Original_release_date 2014-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yu-Sheng Wang . . . 19206 2 Chun-Han Ko . . . 19206 3 Hao-Ting Chang . . . 19206 4 Kai-Jay Yang . . . 19206 5 Yu-Jen Chen . . . 19206 6 Shing-Jong Huang . . . 19206 7 Chi-Fon Chang . . . 19206 8 Pei-Ju Fang . . . 19206 9 'Der-Lii M.' Tzou . . . 19206 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19206 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 544 19206 '15N chemical shifts' 131 19206 '1H chemical shifts' 813 19206 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-02-13 2013-04-30 original author . 19206 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19206 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23835623 _Citation.Full_citation . _Citation.Title '(1)H, (13)C and (15)N backbone and side-chain resonance assignments of a family 36 carbohydrate binding module of xylanase from Paenibacillus campinasensis.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2013 _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 Yu-Sheng Wang . . . 19206 1 2 Chun-Han Ko . . . 19206 1 3 Hao-Ting Chang . . . 19206 1 4 Kai-Jay Yang . . . 19206 1 5 Yu-Jen Chen . . . 19206 1 6 Shing-Jong Huang . . . 19206 1 7 Pei-Ju Fang . . . 19206 1 8 Chi-Fon Chang . . . 19206 1 9 Der-Lii Tzou . M. . 19206 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Carbohydrate binding module' 19206 1 CBM36 19206 1 'NMR resonance assignments' 19206 1 Xylanase 19206 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19206 _Assembly.ID 1 _Assembly.Name 'PcCBM36 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 PcCBM36 1 $PcCBM36 A . no native no no . . . 19206 1 2 'Calcium ion' 2 $entity_CA B . no native no no . . . 19206 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PcCBM36 _Entity.Sf_category entity _Entity.Sf_framecode PcCBM36 _Entity.Entry_ID 19206 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PcCBM36 _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 ; MASMTGGQQMGRGSTRVEAE NMTKSGQYTGNISSPFNGVA LYANNDSVKYTQYFSTSTHS FSLRGASNNANMARVDLKIG GQTKGTFYFGGSSPAVYTLN NVSHGTGNQEIELIVTADDG TWDAYIDYLEIRKLAAALEH HHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 145 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no GB ABB77852 . "xylanase X [Paenibacillus campinasensis]" . . . . . 81.38 377 100.00 100.00 2.12e-76 . . . . 19206 1 2 no GB ACJ67894 . "XylX-H1 [synthetic construct]" . . . . . 81.38 346 100.00 100.00 1.26e-76 . . . . 19206 1 3 no GB ACJ67896 . "XylX-M2 [synthetic construct]" . . . . . 81.38 346 100.00 100.00 1.37e-76 . . . . 19206 1 4 no GB ADR03137 . "XylX-R [synthetic construct]" . . . . . 81.38 346 100.00 100.00 1.14e-76 . . . . 19206 1 5 no GB AEP19213 . "mutagenized xylanase XylX-H2 [synthetic construct]" . . . . . 80.00 344 100.00 100.00 6.56e-75 . . . . 19206 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 . 19206 1 2 2 ALA . 19206 1 3 3 SER . 19206 1 4 4 MET . 19206 1 5 5 THR . 19206 1 6 6 GLY . 19206 1 7 7 GLY . 19206 1 8 8 GLN . 19206 1 9 9 GLN . 19206 1 10 10 MET . 19206 1 11 11 GLY . 19206 1 12 12 ARG . 19206 1 13 13 GLY . 19206 1 14 14 SER . 19206 1 15 15 THR . 19206 1 16 16 ARG . 19206 1 17 17 VAL . 19206 1 18 18 GLU . 19206 1 19 19 ALA . 19206 1 20 20 GLU . 19206 1 21 21 ASN . 19206 1 22 22 MET . 19206 1 23 23 THR . 19206 1 24 24 LYS . 19206 1 25 25 SER . 19206 1 26 26 GLY . 19206 1 27 27 GLN . 19206 1 28 28 TYR . 19206 1 29 29 THR . 19206 1 30 30 GLY . 19206 1 31 31 ASN . 19206 1 32 32 ILE . 19206 1 33 33 SER . 19206 1 34 34 SER . 19206 1 35 35 PRO . 19206 1 36 36 PHE . 19206 1 37 37 ASN . 19206 1 38 38 GLY . 19206 1 39 39 VAL . 19206 1 40 40 ALA . 19206 1 41 41 LEU . 19206 1 42 42 TYR . 19206 1 43 43 ALA . 19206 1 44 44 ASN . 19206 1 45 45 ASN . 19206 1 46 46 ASP . 19206 1 47 47 SER . 19206 1 48 48 VAL . 19206 1 49 49 LYS . 19206 1 50 50 TYR . 19206 1 51 51 THR . 19206 1 52 52 GLN . 19206 1 53 53 TYR . 19206 1 54 54 PHE . 19206 1 55 55 SER . 19206 1 56 56 THR . 19206 1 57 57 SER . 19206 1 58 58 THR . 19206 1 59 59 HIS . 19206 1 60 60 SER . 19206 1 61 61 PHE . 19206 1 62 62 SER . 19206 1 63 63 LEU . 19206 1 64 64 ARG . 19206 1 65 65 GLY . 19206 1 66 66 ALA . 19206 1 67 67 SER . 19206 1 68 68 ASN . 19206 1 69 69 ASN . 19206 1 70 70 ALA . 19206 1 71 71 ASN . 19206 1 72 72 MET . 19206 1 73 73 ALA . 19206 1 74 74 ARG . 19206 1 75 75 VAL . 19206 1 76 76 ASP . 19206 1 77 77 LEU . 19206 1 78 78 LYS . 19206 1 79 79 ILE . 19206 1 80 80 GLY . 19206 1 81 81 GLY . 19206 1 82 82 GLN . 19206 1 83 83 THR . 19206 1 84 84 LYS . 19206 1 85 85 GLY . 19206 1 86 86 THR . 19206 1 87 87 PHE . 19206 1 88 88 TYR . 19206 1 89 89 PHE . 19206 1 90 90 GLY . 19206 1 91 91 GLY . 19206 1 92 92 SER . 19206 1 93 93 SER . 19206 1 94 94 PRO . 19206 1 95 95 ALA . 19206 1 96 96 VAL . 19206 1 97 97 TYR . 19206 1 98 98 THR . 19206 1 99 99 LEU . 19206 1 100 100 ASN . 19206 1 101 101 ASN . 19206 1 102 102 VAL . 19206 1 103 103 SER . 19206 1 104 104 HIS . 19206 1 105 105 GLY . 19206 1 106 106 THR . 19206 1 107 107 GLY . 19206 1 108 108 ASN . 19206 1 109 109 GLN . 19206 1 110 110 GLU . 19206 1 111 111 ILE . 19206 1 112 112 GLU . 19206 1 113 113 LEU . 19206 1 114 114 ILE . 19206 1 115 115 VAL . 19206 1 116 116 THR . 19206 1 117 117 ALA . 19206 1 118 118 ASP . 19206 1 119 119 ASP . 19206 1 120 120 GLY . 19206 1 121 121 THR . 19206 1 122 122 TRP . 19206 1 123 123 ASP . 19206 1 124 124 ALA . 19206 1 125 125 TYR . 19206 1 126 126 ILE . 19206 1 127 127 ASP . 19206 1 128 128 TYR . 19206 1 129 129 LEU . 19206 1 130 130 GLU . 19206 1 131 131 ILE . 19206 1 132 132 ARG . 19206 1 133 133 LYS . 19206 1 134 134 LEU . 19206 1 135 135 ALA . 19206 1 136 136 ALA . 19206 1 137 137 ALA . 19206 1 138 138 LEU . 19206 1 139 139 GLU . 19206 1 140 140 HIS . 19206 1 141 141 HIS . 19206 1 142 142 HIS . 19206 1 143 143 HIS . 19206 1 144 144 HIS . 19206 1 145 145 HIS . 19206 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 19206 1 . ALA 2 2 19206 1 . SER 3 3 19206 1 . MET 4 4 19206 1 . THR 5 5 19206 1 . GLY 6 6 19206 1 . GLY 7 7 19206 1 . GLN 8 8 19206 1 . GLN 9 9 19206 1 . MET 10 10 19206 1 . GLY 11 11 19206 1 . ARG 12 12 19206 1 . GLY 13 13 19206 1 . SER 14 14 19206 1 . THR 15 15 19206 1 . ARG 16 16 19206 1 . VAL 17 17 19206 1 . GLU 18 18 19206 1 . ALA 19 19 19206 1 . GLU 20 20 19206 1 . ASN 21 21 19206 1 . MET 22 22 19206 1 . THR 23 23 19206 1 . LYS 24 24 19206 1 . SER 25 25 19206 1 . GLY 26 26 19206 1 . GLN 27 27 19206 1 . TYR 28 28 19206 1 . THR 29 29 19206 1 . GLY 30 30 19206 1 . ASN 31 31 19206 1 . ILE 32 32 19206 1 . SER 33 33 19206 1 . SER 34 34 19206 1 . PRO 35 35 19206 1 . PHE 36 36 19206 1 . ASN 37 37 19206 1 . GLY 38 38 19206 1 . VAL 39 39 19206 1 . ALA 40 40 19206 1 . LEU 41 41 19206 1 . TYR 42 42 19206 1 . ALA 43 43 19206 1 . ASN 44 44 19206 1 . ASN 45 45 19206 1 . ASP 46 46 19206 1 . SER 47 47 19206 1 . VAL 48 48 19206 1 . LYS 49 49 19206 1 . TYR 50 50 19206 1 . THR 51 51 19206 1 . GLN 52 52 19206 1 . TYR 53 53 19206 1 . PHE 54 54 19206 1 . SER 55 55 19206 1 . THR 56 56 19206 1 . SER 57 57 19206 1 . THR 58 58 19206 1 . HIS 59 59 19206 1 . SER 60 60 19206 1 . PHE 61 61 19206 1 . SER 62 62 19206 1 . LEU 63 63 19206 1 . ARG 64 64 19206 1 . GLY 65 65 19206 1 . ALA 66 66 19206 1 . SER 67 67 19206 1 . ASN 68 68 19206 1 . ASN 69 69 19206 1 . ALA 70 70 19206 1 . ASN 71 71 19206 1 . MET 72 72 19206 1 . ALA 73 73 19206 1 . ARG 74 74 19206 1 . VAL 75 75 19206 1 . ASP 76 76 19206 1 . LEU 77 77 19206 1 . LYS 78 78 19206 1 . ILE 79 79 19206 1 . GLY 80 80 19206 1 . GLY 81 81 19206 1 . GLN 82 82 19206 1 . THR 83 83 19206 1 . LYS 84 84 19206 1 . GLY 85 85 19206 1 . THR 86 86 19206 1 . PHE 87 87 19206 1 . TYR 88 88 19206 1 . PHE 89 89 19206 1 . GLY 90 90 19206 1 . GLY 91 91 19206 1 . SER 92 92 19206 1 . SER 93 93 19206 1 . PRO 94 94 19206 1 . ALA 95 95 19206 1 . VAL 96 96 19206 1 . TYR 97 97 19206 1 . THR 98 98 19206 1 . LEU 99 99 19206 1 . ASN 100 100 19206 1 . ASN 101 101 19206 1 . VAL 102 102 19206 1 . SER 103 103 19206 1 . HIS 104 104 19206 1 . GLY 105 105 19206 1 . THR 106 106 19206 1 . GLY 107 107 19206 1 . ASN 108 108 19206 1 . GLN 109 109 19206 1 . GLU 110 110 19206 1 . ILE 111 111 19206 1 . GLU 112 112 19206 1 . LEU 113 113 19206 1 . ILE 114 114 19206 1 . VAL 115 115 19206 1 . THR 116 116 19206 1 . ALA 117 117 19206 1 . ASP 118 118 19206 1 . ASP 119 119 19206 1 . GLY 120 120 19206 1 . THR 121 121 19206 1 . TRP 122 122 19206 1 . ASP 123 123 19206 1 . ALA 124 124 19206 1 . TYR 125 125 19206 1 . ILE 126 126 19206 1 . ASP 127 127 19206 1 . TYR 128 128 19206 1 . LEU 129 129 19206 1 . GLU 130 130 19206 1 . ILE 131 131 19206 1 . ARG 132 132 19206 1 . LYS 133 133 19206 1 . LEU 134 134 19206 1 . ALA 135 135 19206 1 . ALA 136 136 19206 1 . ALA 137 137 19206 1 . LEU 138 138 19206 1 . GLU 139 139 19206 1 . HIS 140 140 19206 1 . HIS 141 141 19206 1 . HIS 142 142 19206 1 . HIS 143 143 19206 1 . HIS 144 144 19206 1 . HIS 145 145 19206 1 stop_ save_ save_entity_CA _Entity.Sf_category entity _Entity.Sf_framecode entity_CA _Entity.Entry_ID 19206 _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 19206 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 19206 2 CA 'Three letter code' 19206 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 19206 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 19206 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 19206 _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 $PcCBM36 . 66347 organism . 'Penibacillus campinasensis' 'Penibacillus campinasensis' . . Bacteria . Penibacillus campinasensis BL11 . . . . . . . . . . . . . . . . . . . . 19206 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 19206 _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 $PcCBM36 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21a(+) . . . . . . 19206 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 19206 _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 2012-11-20 _Chem_comp.Modified_date 2012-11-20 _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 19206 CA [Ca++] SMILES CACTVS 3.341 19206 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 19206 CA [Ca+2] SMILES ACDLabs 10.04 19206 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 19206 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 19206 CA InChI=1S/Ca/q+2 InChI InChI 1.03 19206 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 19206 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 19206 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 . 19206 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19206 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Recombinatant PcCBM36' '[U-99% 13C; U-99% 15N]' . . 1 $PcCBM36 . . 0.6 . . mM . . . . 19206 1 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19206 1 3 'Calcium ion' 'natural abundance' . . . . . . 10 . . mM . . . . 19206 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 19206 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19206 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19206 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Recombinatant PcCBM36' '[U-99% 13C; U-99% 15N]' . . 1 $PcCBM36 . . 0.6 . . mM . . . . 19206 2 2 MES 'natural abundance' . . . . . . 20 . . mM . . . . 19206 2 3 'Calcium ion' 'natural abundance' . . . . . . 10 . . mM . . . . 19206 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19206 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19206 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.03 . M 19206 1 pH 5.5 . pH 19206 1 pressure 1 . atm 19206 1 temperature 298 . K 19206 1 stop_ save_ ############################ # Computer software used # ############################ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19206 _Software.ID 1 _Software.Name CARA _Software.Version 'V1.9.0 Beta' _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19206 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19206 1 'data analysis' 19206 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19206 _Software.ID 2 _Software.Name TOPSPIN _Software.Version V3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19206 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19206 2 'data analysis' 19206 2 processing 19206 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19206 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19206 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19206 3 'peak picking' 19206 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19206 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19206 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19206 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 19206 1 2 spectrometer_2 Bruker Avance . 600 . . . 19206 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 19206 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 3 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 4 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19206 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19206 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 11 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 13 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 15 '2D HBCBCGCDHD' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 16 '2D HBCBCGCDCEHE' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19206 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19206 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 19206 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19206 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19206 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 19206 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19206 1 2 '3D HNCO' . . . 19206 1 3 '3D HN(CA)CO' . . . 19206 1 4 '3D HNCA' . . . 19206 1 5 '3D HNCACB' . . . 19206 1 6 '3D CBCA(CO)NH' . . . 19206 1 7 '3D HNHA' . . . 19206 1 8 '3D HBHA(CO)NH' . . . 19206 1 9 '3D HCCH-COSY' . . . 19206 1 10 '3D HCCH-TOCSY' . . . 19206 1 11 '3D CCH-TOCSY' . . . 19206 1 12 '2D 1H-13C HSQC' . . . 19206 1 13 '3D 1H-13C NOESY aliphatic' . . . 19206 1 14 '3D 1H-13C NOESY aromatic' . . . 19206 1 15 '2D HBCBCGCDHD' . . . 19206 1 16 '2D HBCBCGCDCEHE' . . . 19206 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 4 4 MET H H 1 8.650 0.020 . 1 . . . . 4 MET H . 19206 1 2 . 1 1 4 4 MET HA H 1 4.569 0.020 . 1 . . . . 4 MET HA . 19206 1 3 . 1 1 4 4 MET HB2 H 1 2.099 0.020 . 2 . . . . 4 MET HB2 . 19206 1 4 . 1 1 4 4 MET HB3 H 1 1.999 0.020 . 2 . . . . 4 MET HB3 . 19206 1 5 . 1 1 4 4 MET HG2 H 1 2.515 0.020 . 2 . . . . 4 MET HG2 . 19206 1 6 . 1 1 4 4 MET HG3 H 1 2.586 0.020 . 2 . . . . 4 MET HG3 . 19206 1 7 . 1 1 4 4 MET C C 13 176.455 0.3 . 1 . . . . 4 MET C . 19206 1 8 . 1 1 4 4 MET CA C 13 55.606 0.3 . 1 . . . . 4 MET CA . 19206 1 9 . 1 1 4 4 MET CB C 13 32.819 0.3 . 1 . . . . 4 MET CB . 19206 1 10 . 1 1 4 4 MET CG C 13 31.742 0.3 . 1 . . . . 4 MET CG . 19206 1 11 . 1 1 4 4 MET N N 15 122.962 0.3 . 1 . . . . 4 MET N . 19206 1 12 . 1 1 5 5 THR H H 1 8.220 0.020 . 1 . . . . 5 THR H . 19206 1 13 . 1 1 5 5 THR HA H 1 4.340 0.020 . 1 . . . . 5 THR HA . 19206 1 14 . 1 1 5 5 THR HB H 1 4.205 0.020 . 1 . . . . 5 THR HB . 19206 1 15 . 1 1 5 5 THR HG21 H 1 1.142 0.020 . 1 . . . . 5 THR HG2 . 19206 1 16 . 1 1 5 5 THR HG22 H 1 1.142 0.020 . 1 . . . . 5 THR HG2 . 19206 1 17 . 1 1 5 5 THR HG23 H 1 1.142 0.020 . 1 . . . . 5 THR HG2 . 19206 1 18 . 1 1 5 5 THR C C 13 175.033 0.3 . 1 . . . . 5 THR C . 19206 1 19 . 1 1 5 5 THR CA C 13 61.864 0.3 . 1 . . . . 5 THR CA . 19206 1 20 . 1 1 5 5 THR CB C 13 69.866 0.3 . 1 . . . . 5 THR CB . 19206 1 21 . 1 1 5 5 THR CG2 C 13 21.408 0.3 . 1 . . . . 5 THR CG2 . 19206 1 22 . 1 1 5 5 THR N N 15 114.954 0.3 . 1 . . . . 5 THR N . 19206 1 23 . 1 1 6 6 GLY H H 1 8.425 0.020 . 1 . . . . 6 GLY H . 19206 1 24 . 1 1 6 6 GLY HA2 H 1 3.953 0.020 . 1 . . . . 6 GLY HA2 . 19206 1 25 . 1 1 6 6 GLY HA3 H 1 3.953 0.020 . 1 . . . . 6 GLY HA3 . 19206 1 26 . 1 1 6 6 GLY C C 13 174.628 0.3 . 1 . . . . 6 GLY C . 19206 1 27 . 1 1 6 6 GLY CA C 13 45.352 0.3 . 1 . . . . 6 GLY CA . 19206 1 28 . 1 1 6 6 GLY N N 15 111.246 0.3 . 1 . . . . 6 GLY N . 19206 1 29 . 1 1 7 7 GLY H H 1 8.297 0.020 . 1 . . . . 7 GLY H . 19206 1 30 . 1 1 7 7 GLY HA2 H 1 3.918 0.020 . 1 . . . . 7 GLY HA2 . 19206 1 31 . 1 1 7 7 GLY HA3 H 1 3.918 0.020 . 1 . . . . 7 GLY HA3 . 19206 1 32 . 1 1 7 7 GLY C C 13 174.219 0.3 . 1 . . . . 7 GLY C . 19206 1 33 . 1 1 7 7 GLY CA C 13 45.096 0.3 . 1 . . . . 7 GLY CA . 19206 1 34 . 1 1 7 7 GLY N N 15 108.515 0.3 . 1 . . . . 7 GLY N . 19206 1 35 . 1 1 8 8 GLN H H 1 8.330 0.020 . 1 . . . . 8 GLN H . 19206 1 36 . 1 1 8 8 GLN HA H 1 4.293 0.020 . 1 . . . . 8 GLN HA . 19206 1 37 . 1 1 8 8 GLN HB2 H 1 2.082 0.020 . 2 . . . . 8 GLN HB2 . 19206 1 38 . 1 1 8 8 GLN HB3 H 1 1.943 0.020 . 2 . . . . 8 GLN HB3 . 19206 1 39 . 1 1 8 8 GLN HG2 H 1 2.310 0.020 . 1 . . . . 8 GLN HG2 . 19206 1 40 . 1 1 8 8 GLN HG3 H 1 2.310 0.020 . 1 . . . . 8 GLN HG3 . 19206 1 41 . 1 1 8 8 GLN C C 13 176.047 0.3 . 1 . . . . 8 GLN C . 19206 1 42 . 1 1 8 8 GLN CA C 13 56.103 0.3 . 1 . . . . 8 GLN CA . 19206 1 43 . 1 1 8 8 GLN CB C 13 29.335 0.3 . 1 . . . . 8 GLN CB . 19206 1 44 . 1 1 8 8 GLN CG C 13 33.629 0.3 . 1 . . . . 8 GLN CG . 19206 1 45 . 1 1 8 8 GLN N N 15 119.855 0.3 . 1 . . . . 8 GLN N . 19206 1 46 . 1 1 9 9 GLN H H 1 8.506 0.020 . 1 . . . . 9 GLN H . 19206 1 47 . 1 1 9 9 GLN HA H 1 4.293 0.020 . 1 . . . . 9 GLN HA . 19206 1 48 . 1 1 9 9 GLN HB2 H 1 2.069 0.020 . 2 . . . . 9 GLN HB2 . 19206 1 49 . 1 1 9 9 GLN HB3 H 1 1.947 0.020 . 2 . . . . 9 GLN HB3 . 19206 1 50 . 1 1 9 9 GLN HG2 H 1 2.310 0.020 . 1 . . . . 9 GLN HG2 . 19206 1 51 . 1 1 9 9 GLN HG3 H 1 2.310 0.020 . 1 . . . . 9 GLN HG3 . 19206 1 52 . 1 1 9 9 GLN C C 13 176.045 0.3 . 1 . . . . 9 GLN C . 19206 1 53 . 1 1 9 9 GLN CA C 13 56.106 0.3 . 1 . . . . 9 GLN CA . 19206 1 54 . 1 1 9 9 GLN CB C 13 29.100 0.3 . 1 . . . . 9 GLN CB . 19206 1 55 . 1 1 9 9 GLN CG C 13 33.716 0.3 . 1 . . . . 9 GLN CG . 19206 1 56 . 1 1 9 9 GLN N N 15 121.515 0.3 . 1 . . . . 9 GLN N . 19206 1 57 . 1 1 10 10 MET H H 1 8.466 0.020 . 1 . . . . 10 MET H . 19206 1 58 . 1 1 10 10 MET HA H 1 4.440 0.020 . 1 . . . . 10 MET HA . 19206 1 59 . 1 1 10 10 MET HB2 H 1 2.070 0.020 . 2 . . . . 10 MET HB2 . 19206 1 60 . 1 1 10 10 MET HB3 H 1 1.976 0.020 . 2 . . . . 10 MET HB3 . 19206 1 61 . 1 1 10 10 MET HG2 H 1 2.497 0.020 . 2 . . . . 10 MET HG2 . 19206 1 62 . 1 1 10 10 MET HG3 H 1 2.581 0.020 . 2 . . . . 10 MET HG3 . 19206 1 63 . 1 1 10 10 MET C C 13 176.863 0.3 . 1 . . . . 10 MET C . 19206 1 64 . 1 1 10 10 MET CA C 13 55.875 0.3 . 1 . . . . 10 MET CA . 19206 1 65 . 1 1 10 10 MET CB C 13 32.591 0.3 . 1 . . . . 10 MET CB . 19206 1 66 . 1 1 10 10 MET CG C 13 31.953 0.3 . 1 . . . . 10 MET CG . 19206 1 67 . 1 1 10 10 MET N N 15 121.781 0.3 . 1 . . . . 10 MET N . 19206 1 68 . 1 1 11 11 GLY H H 1 8.460 0.020 . 1 . . . . 11 GLY H . 19206 1 69 . 1 1 11 11 GLY HA2 H 1 3.952 0.020 . 1 . . . . 11 GLY HA2 . 19206 1 70 . 1 1 11 11 GLY HA3 H 1 3.952 0.020 . 1 . . . . 11 GLY HA3 . 19206 1 71 . 1 1 11 11 GLY C C 13 174.220 0.3 . 1 . . . . 11 GLY C . 19206 1 72 . 1 1 11 11 GLY CA C 13 45.346 0.3 . 1 . . . . 11 GLY CA . 19206 1 73 . 1 1 11 11 GLY N N 15 110.123 0.3 . 1 . . . . 11 GLY N . 19206 1 74 . 1 1 12 12 ARG H H 1 8.330 0.020 . 1 . . . . 12 ARG H . 19206 1 75 . 1 1 12 12 ARG HA H 1 4.328 0.020 . 1 . . . . 12 ARG HA . 19206 1 76 . 1 1 12 12 ARG HB2 H 1 1.900 0.020 . 2 . . . . 12 ARG HB2 . 19206 1 77 . 1 1 12 12 ARG HB3 H 1 1.770 0.020 . 2 . . . . 12 ARG HB3 . 19206 1 78 . 1 1 12 12 ARG HG2 H 1 1.647 0.020 . 2 . . . . 12 ARG HG2 . 19206 1 79 . 1 1 12 12 ARG HG3 H 1 1.597 0.020 . 2 . . . . 12 ARG HG3 . 19206 1 80 . 1 1 12 12 ARG HD2 H 1 3.172 0.020 . 1 . . . . 12 ARG HD2 . 19206 1 81 . 1 1 12 12 ARG HD3 H 1 3.172 0.020 . 1 . . . . 12 ARG HD3 . 19206 1 82 . 1 1 12 12 ARG C C 13 177.064 0.3 . 1 . . . . 12 ARG C . 19206 1 83 . 1 1 12 12 ARG CA C 13 56.360 0.3 . 1 . . . . 12 ARG CA . 19206 1 84 . 1 1 12 12 ARG CB C 13 30.344 0.3 . 1 . . . . 12 ARG CB . 19206 1 85 . 1 1 12 12 ARG CG C 13 27.262 0.3 . 1 . . . . 12 ARG CG . 19206 1 86 . 1 1 12 12 ARG CD C 13 43.096 0.3 . 1 . . . . 12 ARG CD . 19206 1 87 . 1 1 12 12 ARG N N 15 120.314 0.3 . 1 . . . . 12 ARG N . 19206 1 88 . 1 1 13 13 GLY H H 1 8.591 0.020 . 1 . . . . 13 GLY H . 19206 1 89 . 1 1 13 13 GLY HA2 H 1 3.953 0.020 . 1 . . . . 13 GLY HA2 . 19206 1 90 . 1 1 13 13 GLY HA3 H 1 3.953 0.020 . 1 . . . . 13 GLY HA3 . 19206 1 91 . 1 1 13 13 GLY C C 13 173.813 0.3 . 1 . . . . 13 GLY C . 19206 1 92 . 1 1 13 13 GLY CA C 13 45.610 0.3 . 1 . . . . 13 GLY CA . 19206 1 93 . 1 1 13 13 GLY N N 15 110.002 0.3 . 1 . . . . 13 GLY N . 19206 1 94 . 1 1 14 14 SER H H 1 7.936 0.020 . 1 . . . . 14 SER H . 19206 1 95 . 1 1 14 14 SER HA H 1 5.056 0.020 . 1 . . . . 14 SER HA . 19206 1 96 . 1 1 14 14 SER HB2 H 1 3.682 0.020 . 1 . . . . 14 SER HB2 . 19206 1 97 . 1 1 14 14 SER HB3 H 1 3.682 0.020 . 1 . . . . 14 SER HB3 . 19206 1 98 . 1 1 14 14 SER C C 13 173.612 0.3 . 1 . . . . 14 SER C . 19206 1 99 . 1 1 14 14 SER CA C 13 57.587 0.3 . 1 . . . . 14 SER CA . 19206 1 100 . 1 1 14 14 SER CB C 13 65.119 0.3 . 1 . . . . 14 SER CB . 19206 1 101 . 1 1 14 14 SER N N 15 115.153 0.3 . 1 . . . . 14 SER N . 19206 1 102 . 1 1 15 15 THR H H 1 8.504 0.020 . 1 . . . . 15 THR H . 19206 1 103 . 1 1 15 15 THR HA H 1 4.475 0.020 . 1 . . . . 15 THR HA . 19206 1 104 . 1 1 15 15 THR HB H 1 3.906 0.020 . 1 . . . . 15 THR HB . 19206 1 105 . 1 1 15 15 THR HG21 H 1 1.090 0.020 . 1 . . . . 15 THR HG2 . 19206 1 106 . 1 1 15 15 THR HG22 H 1 1.090 0.020 . 1 . . . . 15 THR HG2 . 19206 1 107 . 1 1 15 15 THR HG23 H 1 1.090 0.020 . 1 . . . . 15 THR HG2 . 19206 1 108 . 1 1 15 15 THR C C 13 171.985 0.3 . 1 . . . . 15 THR C . 19206 1 109 . 1 1 15 15 THR CA C 13 62.110 0.3 . 1 . . . . 15 THR CA . 19206 1 110 . 1 1 15 15 THR CB C 13 71.120 0.3 . 1 . . . . 15 THR CB . 19206 1 111 . 1 1 15 15 THR CG2 C 13 20.234 0.3 . 1 . . . . 15 THR CG2 . 19206 1 112 . 1 1 15 15 THR N N 15 118.451 0.3 . 1 . . . . 15 THR N . 19206 1 113 . 1 1 16 16 ARG H H 1 8.652 0.020 . 1 . . . . 16 ARG H . 19206 1 114 . 1 1 16 16 ARG HA H 1 5.107 0.020 . 1 . . . . 16 ARG HA . 19206 1 115 . 1 1 16 16 ARG HB2 H 1 1.518 0.020 . 1 . . . . 16 ARG HB2 . 19206 1 116 . 1 1 16 16 ARG HB3 H 1 1.518 0.020 . 1 . . . . 16 ARG HB3 . 19206 1 117 . 1 1 16 16 ARG HG2 H 1 0.943 0.020 . 1 . . . . 16 ARG HG2 . 19206 1 118 . 1 1 16 16 ARG HG3 H 1 0.943 0.020 . 1 . . . . 16 ARG HG3 . 19206 1 119 . 1 1 16 16 ARG HD2 H 1 2.374 0.020 . 2 . . . . 16 ARG HD2 . 19206 1 120 . 1 1 16 16 ARG HD3 H 1 2.064 0.020 . 2 . . . . 16 ARG HD3 . 19206 1 121 . 1 1 16 16 ARG C C 13 174.425 0.3 . 1 . . . . 16 ARG C . 19206 1 122 . 1 1 16 16 ARG CA C 13 54.860 0.3 . 1 . . . . 16 ARG CA . 19206 1 123 . 1 1 16 16 ARG CB C 13 32.346 0.3 . 1 . . . . 16 ARG CB . 19206 1 124 . 1 1 16 16 ARG CG C 13 26.902 0.3 . 1 . . . . 16 ARG CG . 19206 1 125 . 1 1 16 16 ARG CD C 13 42.437 0.3 . 1 . . . . 16 ARG CD . 19206 1 126 . 1 1 16 16 ARG N N 15 127.520 0.3 . 1 . . . . 16 ARG N . 19206 1 127 . 1 1 17 17 VAL H H 1 9.353 0.020 . 1 . . . . 17 VAL H . 19206 1 128 . 1 1 17 17 VAL HA H 1 4.080 0.020 . 1 . . . . 17 VAL HA . 19206 1 129 . 1 1 17 17 VAL HB H 1 1.410 0.020 . 1 . . . . 17 VAL HB . 19206 1 130 . 1 1 17 17 VAL HG11 H 1 0.595 0.020 . 2 . . . . 17 VAL HG1 . 19206 1 131 . 1 1 17 17 VAL HG12 H 1 0.595 0.020 . 2 . . . . 17 VAL HG1 . 19206 1 132 . 1 1 17 17 VAL HG13 H 1 0.595 0.020 . 2 . . . . 17 VAL HG1 . 19206 1 133 . 1 1 17 17 VAL HG21 H 1 0.050 0.020 . 2 . . . . 17 VAL HG2 . 19206 1 134 . 1 1 17 17 VAL HG22 H 1 0.050 0.020 . 2 . . . . 17 VAL HG2 . 19206 1 135 . 1 1 17 17 VAL HG23 H 1 0.050 0.020 . 2 . . . . 17 VAL HG2 . 19206 1 136 . 1 1 17 17 VAL C C 13 175.642 0.3 . 1 . . . . 17 VAL C . 19206 1 137 . 1 1 17 17 VAL CA C 13 61.114 0.3 . 1 . . . . 17 VAL CA . 19206 1 138 . 1 1 17 17 VAL CB C 13 33.081 0.3 . 1 . . . . 17 VAL CB . 19206 1 139 . 1 1 17 17 VAL CG1 C 13 19.415 0.3 . 1 . . . . 17 VAL CG1 . 19206 1 140 . 1 1 17 17 VAL CG2 C 13 20.021 0.3 . 1 . . . . 17 VAL CG2 . 19206 1 141 . 1 1 17 17 VAL N N 15 129.402 0.3 . 1 . . . . 17 VAL N . 19206 1 142 . 1 1 18 18 GLU H H 1 8.906 0.020 . 1 . . . . 18 GLU H . 19206 1 143 . 1 1 18 18 GLU HA H 1 4.292 0.020 . 1 . . . . 18 GLU HA . 19206 1 144 . 1 1 18 18 GLU HB2 H 1 1.946 0.020 . 2 . . . . 18 GLU HB2 . 19206 1 145 . 1 1 18 18 GLU HB3 H 1 2.069 0.020 . 2 . . . . 18 GLU HB3 . 19206 1 146 . 1 1 18 18 GLU HG2 H 1 2.313 0.020 . 1 . . . . 18 GLU HG2 . 19206 1 147 . 1 1 18 18 GLU HG3 H 1 2.313 0.020 . 1 . . . . 18 GLU HG3 . 19206 1 148 . 1 1 18 18 GLU C C 13 178.689 0.3 . 1 . . . . 18 GLU C . 19206 1 149 . 1 1 18 18 GLU CA C 13 55.603 0.3 . 1 . . . . 18 GLU CA . 19206 1 150 . 1 1 18 18 GLU CB C 13 27.590 0.3 . 1 . . . . 18 GLU CB . 19206 1 151 . 1 1 18 18 GLU CG C 13 33.431 0.3 . 1 . . . . 18 GLU CG . 19206 1 152 . 1 1 18 18 GLU N N 15 126.577 0.3 . 1 . . . . 18 GLU N . 19206 1 153 . 1 1 19 19 ALA H H 1 8.302 0.020 . 1 . . . . 19 ALA H . 19206 1 154 . 1 1 19 19 ALA HA H 1 4.124 0.020 . 1 . . . . 19 ALA HA . 19206 1 155 . 1 1 19 19 ALA HB1 H 1 1.119 0.020 . 1 . . . . 19 ALA HB . 19206 1 156 . 1 1 19 19 ALA HB2 H 1 1.119 0.020 . 1 . . . . 19 ALA HB . 19206 1 157 . 1 1 19 19 ALA HB3 H 1 1.119 0.020 . 1 . . . . 19 ALA HB . 19206 1 158 . 1 1 19 19 ALA C C 13 180.113 0.3 . 1 . . . . 19 ALA C . 19206 1 159 . 1 1 19 19 ALA CA C 13 55.017 0.3 . 1 . . . . 19 ALA CA . 19206 1 160 . 1 1 19 19 ALA CB C 13 18.396 0.3 . 1 . . . . 19 ALA CB . 19206 1 161 . 1 1 19 19 ALA N N 15 128.918 0.3 . 1 . . . . 19 ALA N . 19206 1 162 . 1 1 21 21 ASN H H 1 7.509 0.020 . 1 . . . . 21 ASN H . 19206 1 163 . 1 1 21 21 ASN HA H 1 5.079 0.020 . 1 . . . . 21 ASN HA . 19206 1 164 . 1 1 21 21 ASN HB2 H 1 3.055 0.020 . 2 . . . . 21 ASN HB2 . 19206 1 165 . 1 1 21 21 ASN HB3 H 1 2.580 0.020 . 2 . . . . 21 ASN HB3 . 19206 1 166 . 1 1 21 21 ASN C C 13 175.641 0.3 . 1 . . . . 21 ASN C . 19206 1 167 . 1 1 21 21 ASN CA C 13 52.657 0.3 . 1 . . . . 21 ASN CA . 19206 1 168 . 1 1 21 21 ASN CB C 13 39.083 0.3 . 1 . . . . 21 ASN CB . 19206 1 169 . 1 1 21 21 ASN N N 15 119.108 0.3 . 1 . . . . 21 ASN N . 19206 1 170 . 1 1 22 22 MET H H 1 7.187 0.020 . 1 . . . . 22 MET H . 19206 1 171 . 1 1 22 22 MET HA H 1 4.434 0.020 . 1 . . . . 22 MET HA . 19206 1 172 . 1 1 22 22 MET HB2 H 1 2.198 0.020 . 1 . . . . 22 MET HB2 . 19206 1 173 . 1 1 22 22 MET HB3 H 1 2.198 0.020 . 1 . . . . 22 MET HB3 . 19206 1 174 . 1 1 22 22 MET HG2 H 1 2.739 0.020 . 1 . . . . 22 MET HG2 . 19206 1 175 . 1 1 22 22 MET HG3 H 1 2.739 0.020 . 1 . . . . 22 MET HG3 . 19206 1 176 . 1 1 22 22 MET C C 13 175.441 0.3 . 1 . . . . 22 MET C . 19206 1 177 . 1 1 22 22 MET CA C 13 56.109 0.3 . 1 . . . . 22 MET CA . 19206 1 178 . 1 1 22 22 MET CB C 13 33.594 0.3 . 1 . . . . 22 MET CB . 19206 1 179 . 1 1 22 22 MET CG C 13 32.180 0.3 . 1 . . . . 22 MET CG . 19206 1 180 . 1 1 22 22 MET N N 15 120.049 0.3 . 1 . . . . 22 MET N . 19206 1 181 . 1 1 23 23 THR H H 1 9.433 0.020 . 1 . . . . 23 THR H . 19206 1 182 . 1 1 23 23 THR HA H 1 4.329 0.020 . 1 . . . . 23 THR HA . 19206 1 183 . 1 1 23 23 THR HB H 1 4.173 0.020 . 1 . . . . 23 THR HB . 19206 1 184 . 1 1 23 23 THR HG21 H 1 1.219 0.020 . 1 . . . . 23 THR HG2 . 19206 1 185 . 1 1 23 23 THR HG22 H 1 1.219 0.020 . 1 . . . . 23 THR HG2 . 19206 1 186 . 1 1 23 23 THR HG23 H 1 1.219 0.020 . 1 . . . . 23 THR HG2 . 19206 1 187 . 1 1 23 23 THR C C 13 174.422 0.3 . 1 . . . . 23 THR C . 19206 1 188 . 1 1 23 23 THR CA C 13 64.112 0.3 . 1 . . . . 23 THR CA . 19206 1 189 . 1 1 23 23 THR CB C 13 69.369 0.3 . 1 . . . . 23 THR CB . 19206 1 190 . 1 1 23 23 THR CG2 C 13 21.328 0.3 . 1 . . . . 23 THR CG2 . 19206 1 191 . 1 1 23 23 THR N N 15 120.948 0.3 . 1 . . . . 23 THR N . 19206 1 192 . 1 1 24 24 LYS H H 1 9.005 0.020 . 1 . . . . 24 LYS H . 19206 1 193 . 1 1 24 24 LYS HA H 1 4.809 0.020 . 1 . . . . 24 LYS HA . 19206 1 194 . 1 1 24 24 LYS HB2 H 1 1.771 0.020 . 2 . . . . 24 LYS HB2 . 19206 1 195 . 1 1 24 24 LYS HB3 H 1 1.829 0.020 . 2 . . . . 24 LYS HB3 . 19206 1 196 . 1 1 24 24 LYS HG2 H 1 1.393 0.020 . 1 . . . . 24 LYS HG2 . 19206 1 197 . 1 1 24 24 LYS HG3 H 1 1.393 0.020 . 1 . . . . 24 LYS HG3 . 19206 1 198 . 1 1 24 24 LYS HD2 H 1 1.671 0.020 . 2 . . . . 24 LYS HD2 . 19206 1 199 . 1 1 24 24 LYS HD3 H 1 1.722 0.020 . 2 . . . . 24 LYS HD3 . 19206 1 200 . 1 1 24 24 LYS HE2 H 1 3.010 0.020 . 1 . . . . 24 LYS HE2 . 19206 1 201 . 1 1 24 24 LYS HE3 H 1 3.010 0.020 . 1 . . . . 24 LYS HE3 . 19206 1 202 . 1 1 24 24 LYS C C 13 176.048 0.3 . 1 . . . . 24 LYS C . 19206 1 203 . 1 1 24 24 LYS CA C 13 57.366 0.3 . 1 . . . . 24 LYS CA . 19206 1 204 . 1 1 24 24 LYS CB C 13 34.847 0.3 . 1 . . . . 24 LYS CB . 19206 1 205 . 1 1 24 24 LYS CG C 13 24.840 0.3 . 1 . . . . 24 LYS CG . 19206 1 206 . 1 1 24 24 LYS CD C 13 29.256 0.3 . 1 . . . . 24 LYS CD . 19206 1 207 . 1 1 24 24 LYS CE C 13 41.547 0.3 . 1 . . . . 24 LYS CE . 19206 1 208 . 1 1 24 24 LYS N N 15 127.730 0.3 . 1 . . . . 24 LYS N . 19206 1 209 . 1 1 25 25 SER H H 1 8.991 0.020 . 1 . . . . 25 SER H . 19206 1 210 . 1 1 25 25 SER HA H 1 4.679 0.020 . 1 . . . . 25 SER HA . 19206 1 211 . 1 1 25 25 SER HB2 H 1 3.935 0.020 . 2 . . . . 25 SER HB2 . 19206 1 212 . 1 1 25 25 SER HB3 H 1 3.501 0.020 . 2 . . . . 25 SER HB3 . 19206 1 213 . 1 1 25 25 SER C C 13 174.018 0.3 . 1 . . . . 25 SER C . 19206 1 214 . 1 1 25 25 SER CA C 13 57.608 0.3 . 1 . . . . 25 SER CA . 19206 1 215 . 1 1 25 25 SER CB C 13 64.369 0.3 . 1 . . . . 25 SER CB . 19206 1 216 . 1 1 25 25 SER N N 15 116.895 0.3 . 1 . . . . 25 SER N . 19206 1 217 . 1 1 26 26 GLY H H 1 8.516 0.020 . 1 . . . . 26 GLY H . 19206 1 218 . 1 1 26 26 GLY HA2 H 1 5.255 0.020 . 2 . . . . 26 GLY HA2 . 19206 1 219 . 1 1 26 26 GLY HA3 H 1 3.765 0.020 . 2 . . . . 26 GLY HA3 . 19206 1 220 . 1 1 26 26 GLY C C 13 174.624 0.3 . 1 . . . . 26 GLY C . 19206 1 221 . 1 1 26 26 GLY CA C 13 44.354 0.3 . 1 . . . . 26 GLY CA . 19206 1 222 . 1 1 26 26 GLY N N 15 114.228 0.3 . 1 . . . . 26 GLY N . 19206 1 223 . 1 1 27 27 GLN H H 1 7.915 0.020 . 1 . . . . 27 GLN H . 19206 1 224 . 1 1 27 27 GLN HA H 1 3.871 0.020 . 1 . . . . 27 GLN HA . 19206 1 225 . 1 1 27 27 GLN HB2 H 1 1.694 0.020 . 2 . . . . 27 GLN HB2 . 19206 1 226 . 1 1 27 27 GLN HB3 H 1 1.277 0.020 . 2 . . . . 27 GLN HB3 . 19206 1 227 . 1 1 27 27 GLN HG2 H 1 1.847 0.020 . 2 . . . . 27 GLN HG2 . 19206 1 228 . 1 1 27 27 GLN HG3 H 1 1.465 0.020 . 2 . . . . 27 GLN HG3 . 19206 1 229 . 1 1 27 27 GLN C C 13 177.468 0.3 . 1 . . . . 27 GLN C . 19206 1 230 . 1 1 27 27 GLN CA C 13 58.612 0.3 . 1 . . . . 27 GLN CA . 19206 1 231 . 1 1 27 27 GLN CB C 13 29.847 0.3 . 1 . . . . 27 GLN CB . 19206 1 232 . 1 1 27 27 GLN CG C 13 33.134 0.3 . 1 . . . . 27 GLN CG . 19206 1 233 . 1 1 27 27 GLN N N 15 117.983 0.3 . 1 . . . . 27 GLN N . 19206 1 234 . 1 1 28 28 TYR H H 1 9.433 0.020 . 1 . . . . 28 TYR H . 19206 1 235 . 1 1 28 28 TYR HA H 1 4.716 0.020 . 1 . . . . 28 TYR HA . 19206 1 236 . 1 1 28 28 TYR HB2 H 1 4.105 0.020 . 2 . . . . 28 TYR HB2 . 19206 1 237 . 1 1 28 28 TYR HB3 H 1 3.020 0.020 . 2 . . . . 28 TYR HB3 . 19206 1 238 . 1 1 28 28 TYR HD1 H 1 7.122 0.020 . 1 . . . . 28 TYR HD1 . 19206 1 239 . 1 1 28 28 TYR HD2 H 1 7.122 0.020 . 1 . . . . 28 TYR HD2 . 19206 1 240 . 1 1 28 28 TYR HE1 H 1 6.678 0.020 . 1 . . . . 28 TYR HE1 . 19206 1 241 . 1 1 28 28 TYR HE2 H 1 6.678 0.020 . 1 . . . . 28 TYR HE2 . 19206 1 242 . 1 1 28 28 TYR C C 13 175.032 0.3 . 1 . . . . 28 TYR C . 19206 1 243 . 1 1 28 28 TYR CA C 13 58.114 0.3 . 1 . . . . 28 TYR CA . 19206 1 244 . 1 1 28 28 TYR CB C 13 38.842 0.3 . 1 . . . . 28 TYR CB . 19206 1 245 . 1 1 28 28 TYR CD1 C 13 133.318 0.3 . 1 . . . . 28 TYR CD1 . 19206 1 246 . 1 1 28 28 TYR CD2 C 13 133.318 0.3 . 1 . . . . 28 TYR CD2 . 19206 1 247 . 1 1 28 28 TYR CE1 C 13 117.858 0.3 . 1 . . . . 28 TYR CE1 . 19206 1 248 . 1 1 28 28 TYR CE2 C 13 117.858 0.3 . 1 . . . . 28 TYR CE2 . 19206 1 249 . 1 1 28 28 TYR N N 15 116.082 0.3 . 1 . . . . 28 TYR N . 19206 1 250 . 1 1 29 29 THR H H 1 7.366 0.020 . 1 . . . . 29 THR H . 19206 1 251 . 1 1 29 29 THR HA H 1 4.417 0.020 . 1 . . . . 29 THR HA . 19206 1 252 . 1 1 29 29 THR HB H 1 3.794 0.020 . 1 . . . . 29 THR HB . 19206 1 253 . 1 1 29 29 THR HG21 H 1 1.160 0.020 . 1 . . . . 29 THR HG2 . 19206 1 254 . 1 1 29 29 THR HG22 H 1 1.160 0.020 . 1 . . . . 29 THR HG2 . 19206 1 255 . 1 1 29 29 THR HG23 H 1 1.160 0.020 . 1 . . . . 29 THR HG2 . 19206 1 256 . 1 1 29 29 THR C C 13 175.034 0.3 . 1 . . . . 29 THR C . 19206 1 257 . 1 1 29 29 THR CA C 13 64.362 0.3 . 1 . . . . 29 THR CA . 19206 1 258 . 1 1 29 29 THR CB C 13 69.117 0.3 . 1 . . . . 29 THR CB . 19206 1 259 . 1 1 29 29 THR CG2 C 13 22.943 0.3 . 1 . . . . 29 THR CG2 . 19206 1 260 . 1 1 29 29 THR N N 15 115.948 0.3 . 1 . . . . 29 THR N . 19206 1 261 . 1 1 30 30 GLY H H 1 8.333 0.020 . 1 . . . . 30 GLY H . 19206 1 262 . 1 1 30 30 GLY HA2 H 1 4.621 0.020 . 2 . . . . 30 GLY HA2 . 19206 1 263 . 1 1 30 30 GLY HA3 H 1 4.188 0.020 . 2 . . . . 30 GLY HA3 . 19206 1 264 . 1 1 30 30 GLY C C 13 171.579 0.3 . 1 . . . . 30 GLY C . 19206 1 265 . 1 1 30 30 GLY CA C 13 44.851 0.3 . 1 . . . . 30 GLY CA . 19206 1 266 . 1 1 30 30 GLY N N 15 111.963 0.3 . 1 . . . . 30 GLY N . 19206 1 267 . 1 1 31 31 ASN H H 1 8.843 0.020 . 1 . . . . 31 ASN H . 19206 1 268 . 1 1 31 31 ASN HA H 1 5.375 0.020 . 1 . . . . 31 ASN HA . 19206 1 269 . 1 1 31 31 ASN HB2 H 1 2.949 0.020 . 2 . . . . 31 ASN HB2 . 19206 1 270 . 1 1 31 31 ASN HB3 H 1 2.674 0.020 . 2 . . . . 31 ASN HB3 . 19206 1 271 . 1 1 31 31 ASN C C 13 176.049 0.3 . 1 . . . . 31 ASN C . 19206 1 272 . 1 1 31 31 ASN CA C 13 53.360 0.3 . 1 . . . . 31 ASN CA . 19206 1 273 . 1 1 31 31 ASN CB C 13 39.346 0.3 . 1 . . . . 31 ASN CB . 19206 1 274 . 1 1 31 31 ASN N N 15 119.259 0.3 . 1 . . . . 31 ASN N . 19206 1 275 . 1 1 32 32 ILE H H 1 8.186 0.020 . 1 . . . . 32 ILE H . 19206 1 276 . 1 1 32 32 ILE HA H 1 4.592 0.020 . 1 . . . . 32 ILE HA . 19206 1 277 . 1 1 32 32 ILE HB H 1 1.647 0.020 . 1 . . . . 32 ILE HB . 19206 1 278 . 1 1 32 32 ILE HG12 H 1 0.215 0.020 . 2 . . . . 32 ILE HG12 . 19206 1 279 . 1 1 32 32 ILE HG13 H 1 1.113 0.020 . 2 . . . . 32 ILE HG13 . 19206 1 280 . 1 1 32 32 ILE HG21 H 1 0.572 0.020 . 1 . . . . 32 ILE HG2 . 19206 1 281 . 1 1 32 32 ILE HG22 H 1 0.572 0.020 . 1 . . . . 32 ILE HG2 . 19206 1 282 . 1 1 32 32 ILE HG23 H 1 0.572 0.020 . 1 . . . . 32 ILE HG2 . 19206 1 283 . 1 1 32 32 ILE HD11 H 1 -0.048 0.020 . 1 . . . . 32 ILE HD1 . 19206 1 284 . 1 1 32 32 ILE HD12 H 1 -0.048 0.020 . 1 . . . . 32 ILE HD1 . 19206 1 285 . 1 1 32 32 ILE HD13 H 1 -0.048 0.020 . 1 . . . . 32 ILE HD1 . 19206 1 286 . 1 1 32 32 ILE C C 13 174.829 0.3 . 1 . . . . 32 ILE C . 19206 1 287 . 1 1 32 32 ILE CA C 13 60.360 0.3 . 1 . . . . 32 ILE CA . 19206 1 288 . 1 1 32 32 ILE CB C 13 42.850 0.3 . 1 . . . . 32 ILE CB . 19206 1 289 . 1 1 32 32 ILE CG1 C 13 24.129 0.3 . 1 . . . . 32 ILE CG1 . 19206 1 290 . 1 1 32 32 ILE CG2 C 13 19.070 0.3 . 1 . . . . 32 ILE CG2 . 19206 1 291 . 1 1 32 32 ILE CD1 C 13 13.201 0.3 . 1 . . . . 32 ILE CD1 . 19206 1 292 . 1 1 32 32 ILE N N 15 114.369 0.3 . 1 . . . . 32 ILE N . 19206 1 293 . 1 1 33 33 SER H H 1 8.716 0.020 . 1 . . . . 33 SER H . 19206 1 294 . 1 1 33 33 SER HA H 1 4.668 0.020 . 1 . . . . 33 SER HA . 19206 1 295 . 1 1 33 33 SER HB2 H 1 3.659 0.020 . 2 . . . . 33 SER HB2 . 19206 1 296 . 1 1 33 33 SER HB3 H 1 3.759 0.020 . 2 . . . . 33 SER HB3 . 19206 1 297 . 1 1 33 33 SER C C 13 173.408 0.3 . 1 . . . . 33 SER C . 19206 1 298 . 1 1 33 33 SER CA C 13 58.111 0.3 . 1 . . . . 33 SER CA . 19206 1 299 . 1 1 33 33 SER CB C 13 64.866 0.3 . 1 . . . . 33 SER CB . 19206 1 300 . 1 1 33 33 SER N N 15 112.833 0.3 . 1 . . . . 33 SER N . 19206 1 301 . 1 1 34 34 SER H H 1 7.054 0.020 . 1 . . . . 34 SER H . 19206 1 302 . 1 1 34 34 SER HA H 1 4.352 0.020 . 1 . . . . 34 SER HA . 19206 1 303 . 1 1 34 34 SER HB2 H 1 3.472 0.020 . 1 . . . . 34 SER HB2 . 19206 1 304 . 1 1 34 34 SER HB3 H 1 3.472 0.020 . 1 . . . . 34 SER HB3 . 19206 1 305 . 1 1 34 34 SER C C 13 172.796 0.3 . 1 . . . . 34 SER C . 19206 1 306 . 1 1 34 34 SER CA C 13 55.113 0.3 . 1 . . . . 34 SER CA . 19206 1 307 . 1 1 34 34 SER CB C 13 64.614 0.3 . 1 . . . . 34 SER CB . 19206 1 308 . 1 1 34 34 SER N N 15 117.083 0.3 . 1 . . . . 34 SER N . 19206 1 309 . 1 1 36 36 PHE H H 1 6.700 0.020 . 1 . . . . 36 PHE H . 19206 1 310 . 1 1 36 36 PHE HA H 1 4.487 0.020 . 1 . . . . 36 PHE HA . 19206 1 311 . 1 1 36 36 PHE HB2 H 1 3.079 0.020 . 2 . . . . 36 PHE HB2 . 19206 1 312 . 1 1 36 36 PHE HB3 H 1 2.979 0.020 . 2 . . . . 36 PHE HB3 . 19206 1 313 . 1 1 36 36 PHE HD1 H 1 6.497 0.020 . 1 . . . . 36 PHE HD1 . 19206 1 314 . 1 1 36 36 PHE HD2 H 1 6.497 0.020 . 1 . . . . 36 PHE HD2 . 19206 1 315 . 1 1 36 36 PHE C C 13 173.414 0.3 . 1 . . . . 36 PHE C . 19206 1 316 . 1 1 36 36 PHE CA C 13 52.864 0.3 . 1 . . . . 36 PHE CA . 19206 1 317 . 1 1 36 36 PHE CB C 13 39.256 0.3 . 1 . . . . 36 PHE CB . 19206 1 318 . 1 1 36 36 PHE CD1 C 13 131.625 0.3 . 1 . . . . 36 PHE CD1 . 19206 1 319 . 1 1 36 36 PHE CD2 C 13 131.625 0.3 . 1 . . . . 36 PHE CD2 . 19206 1 320 . 1 1 36 36 PHE N N 15 117.783 0.3 . 1 . . . . 36 PHE N . 19206 1 321 . 1 1 37 37 ASN H H 1 8.687 0.020 . 1 . . . . 37 ASN H . 19206 1 322 . 1 1 37 37 ASN HA H 1 5.155 0.020 . 1 . . . . 37 ASN HA . 19206 1 323 . 1 1 37 37 ASN HB2 H 1 2.791 0.020 . 2 . . . . 37 ASN HB2 . 19206 1 324 . 1 1 37 37 ASN HB3 H 1 2.826 0.020 . 2 . . . . 37 ASN HB3 . 19206 1 325 . 1 1 37 37 ASN C C 13 175.437 0.3 . 1 . . . . 37 ASN C . 19206 1 326 . 1 1 37 37 ASN CA C 13 53.108 0.3 . 1 . . . . 37 ASN CA . 19206 1 327 . 1 1 37 37 ASN CB C 13 37.597 0.3 . 1 . . . . 37 ASN CB . 19206 1 328 . 1 1 37 37 ASN N N 15 116.249 0.3 . 1 . . . . 37 ASN N . 19206 1 329 . 1 1 38 38 GLY H H 1 8.602 0.020 . 1 . . . . 38 GLY H . 19206 1 330 . 1 1 38 38 GLY HA2 H 1 4.792 0.020 . 2 . . . . 38 GLY HA2 . 19206 1 331 . 1 1 38 38 GLY HA3 H 1 4.485 0.020 . 2 . . . . 38 GLY HA3 . 19206 1 332 . 1 1 38 38 GLY C C 13 172.190 0.3 . 1 . . . . 38 GLY C . 19206 1 333 . 1 1 38 38 GLY CA C 13 46.590 0.3 . 1 . . . . 38 GLY CA . 19206 1 334 . 1 1 38 38 GLY N N 15 119.191 0.3 . 1 . . . . 38 GLY N . 19206 1 335 . 1 1 39 39 VAL H H 1 8.947 0.020 . 1 . . . . 39 VAL H . 19206 1 336 . 1 1 39 39 VAL HA H 1 5.119 0.020 . 1 . . . . 39 VAL HA . 19206 1 337 . 1 1 39 39 VAL HB H 1 1.747 0.020 . 1 . . . . 39 VAL HB . 19206 1 338 . 1 1 39 39 VAL HG11 H 1 0.808 0.020 . 2 . . . . 39 VAL HG1 . 19206 1 339 . 1 1 39 39 VAL HG12 H 1 0.808 0.020 . 2 . . . . 39 VAL HG1 . 19206 1 340 . 1 1 39 39 VAL HG13 H 1 0.808 0.020 . 2 . . . . 39 VAL HG1 . 19206 1 341 . 1 1 39 39 VAL HG21 H 1 0.732 0.020 . 2 . . . . 39 VAL HG2 . 19206 1 342 . 1 1 39 39 VAL HG22 H 1 0.732 0.020 . 2 . . . . 39 VAL HG2 . 19206 1 343 . 1 1 39 39 VAL HG23 H 1 0.732 0.020 . 2 . . . . 39 VAL HG2 . 19206 1 344 . 1 1 39 39 VAL C C 13 172.196 0.3 . 1 . . . . 39 VAL C . 19206 1 345 . 1 1 39 39 VAL CA C 13 59.358 0.3 . 1 . . . . 39 VAL CA . 19206 1 346 . 1 1 39 39 VAL CB C 13 36.345 0.3 . 1 . . . . 39 VAL CB . 19206 1 347 . 1 1 39 39 VAL CG1 C 13 21.411 0.3 . 1 . . . . 39 VAL CG1 . 19206 1 348 . 1 1 39 39 VAL CG2 C 13 20.256 0.3 . 1 . . . . 39 VAL CG2 . 19206 1 349 . 1 1 39 39 VAL N N 15 119.138 0.3 . 1 . . . . 39 VAL N . 19206 1 350 . 1 1 40 40 ALA H H 1 9.117 0.020 . 1 . . . . 40 ALA H . 19206 1 351 . 1 1 40 40 ALA HA H 1 5.302 0.020 . 1 . . . . 40 ALA HA . 19206 1 352 . 1 1 40 40 ALA HB1 H 1 0.796 0.020 . 1 . . . . 40 ALA HB . 19206 1 353 . 1 1 40 40 ALA HB2 H 1 0.796 0.020 . 1 . . . . 40 ALA HB . 19206 1 354 . 1 1 40 40 ALA HB3 H 1 0.796 0.020 . 1 . . . . 40 ALA HB . 19206 1 355 . 1 1 40 40 ALA C C 13 173.813 0.3 . 1 . . . . 40 ALA C . 19206 1 356 . 1 1 40 40 ALA CA C 13 50.352 0.3 . 1 . . . . 40 ALA CA . 19206 1 357 . 1 1 40 40 ALA CB C 13 22.837 0.3 . 1 . . . . 40 ALA CB . 19206 1 358 . 1 1 40 40 ALA N N 15 125.932 0.3 . 1 . . . . 40 ALA N . 19206 1 359 . 1 1 41 41 LEU H H 1 8.945 0.020 . 1 . . . . 41 LEU H . 19206 1 360 . 1 1 41 41 LEU HA H 1 4.633 0.020 . 1 . . . . 41 LEU HA . 19206 1 361 . 1 1 41 41 LEU HB2 H 1 2.069 0.020 . 2 . . . . 41 LEU HB2 . 19206 1 362 . 1 1 41 41 LEU HB3 H 1 1.449 0.020 . 2 . . . . 41 LEU HB3 . 19206 1 363 . 1 1 41 41 LEU HG H 1 1.602 0.020 . 1 . . . . 41 LEU HG . 19206 1 364 . 1 1 41 41 LEU HD11 H 1 0.855 0.020 . 2 . . . . 41 LEU HD1 . 19206 1 365 . 1 1 41 41 LEU HD12 H 1 0.855 0.020 . 2 . . . . 41 LEU HD1 . 19206 1 366 . 1 1 41 41 LEU HD13 H 1 0.855 0.020 . 2 . . . . 41 LEU HD1 . 19206 1 367 . 1 1 41 41 LEU HD21 H 1 0.913 0.020 . 2 . . . . 41 LEU HD2 . 19206 1 368 . 1 1 41 41 LEU HD22 H 1 0.913 0.020 . 2 . . . . 41 LEU HD2 . 19206 1 369 . 1 1 41 41 LEU HD23 H 1 0.913 0.020 . 2 . . . . 41 LEU HD2 . 19206 1 370 . 1 1 41 41 LEU C C 13 176.252 0.3 . 1 . . . . 41 LEU C . 19206 1 371 . 1 1 41 41 LEU CA C 13 53.608 0.3 . 1 . . . . 41 LEU CA . 19206 1 372 . 1 1 41 41 LEU CB C 13 41.629 0.3 . 1 . . . . 41 LEU CB . 19206 1 373 . 1 1 41 41 LEU CG C 13 27.049 0.3 . 1 . . . . 41 LEU CG . 19206 1 374 . 1 1 41 41 LEU CD1 C 13 23.983 0.3 . 1 . . . . 41 LEU CD1 . 19206 1 375 . 1 1 41 41 LEU CD2 C 13 26.607 0.3 . 1 . . . . 41 LEU CD2 . 19206 1 376 . 1 1 41 41 LEU N N 15 119.852 0.3 . 1 . . . . 41 LEU N . 19206 1 377 . 1 1 42 42 TYR H H 1 9.687 0.020 . 1 . . . . 42 TYR H . 19206 1 378 . 1 1 42 42 TYR HA H 1 4.559 0.020 . 1 . . . . 42 TYR HA . 19206 1 379 . 1 1 42 42 TYR HB2 H 1 2.926 0.020 . 2 . . . . 42 TYR HB2 . 19206 1 380 . 1 1 42 42 TYR HB3 H 1 2.679 0.020 . 2 . . . . 42 TYR HB3 . 19206 1 381 . 1 1 42 42 TYR HD1 H 1 7.060 0.020 . 1 . . . . 42 TYR HD1 . 19206 1 382 . 1 1 42 42 TYR HD2 H 1 7.060 0.020 . 1 . . . . 42 TYR HD2 . 19206 1 383 . 1 1 42 42 TYR HE1 H 1 6.732 0.020 . 1 . . . . 42 TYR HE1 . 19206 1 384 . 1 1 42 42 TYR HE2 H 1 6.732 0.020 . 1 . . . . 42 TYR HE2 . 19206 1 385 . 1 1 42 42 TYR C C 13 176.053 0.3 . 1 . . . . 42 TYR C . 19206 1 386 . 1 1 42 42 TYR CA C 13 60.356 0.3 . 1 . . . . 42 TYR CA . 19206 1 387 . 1 1 42 42 TYR CB C 13 39.847 0.3 . 1 . . . . 42 TYR CB . 19206 1 388 . 1 1 42 42 TYR CD1 C 13 133.838 0.3 . 1 . . . . 42 TYR CD1 . 19206 1 389 . 1 1 42 42 TYR CD2 C 13 133.838 0.3 . 1 . . . . 42 TYR CD2 . 19206 1 390 . 1 1 42 42 TYR CE1 C 13 118.162 0.3 . 1 . . . . 42 TYR CE1 . 19206 1 391 . 1 1 42 42 TYR CE2 C 13 118.162 0.3 . 1 . . . . 42 TYR CE2 . 19206 1 392 . 1 1 42 42 TYR N N 15 125.411 0.3 . 1 . . . . 42 TYR N . 19206 1 393 . 1 1 43 43 ALA H H 1 8.982 0.020 . 1 . . . . 43 ALA H . 19206 1 394 . 1 1 43 43 ALA HA H 1 4.492 0.020 . 1 . . . . 43 ALA HA . 19206 1 395 . 1 1 43 43 ALA HB1 H 1 1.412 0.020 . 1 . . . . 43 ALA HB . 19206 1 396 . 1 1 43 43 ALA HB2 H 1 1.412 0.020 . 1 . . . . 43 ALA HB . 19206 1 397 . 1 1 43 43 ALA HB3 H 1 1.412 0.020 . 1 . . . . 43 ALA HB . 19206 1 398 . 1 1 43 43 ALA C C 13 175.642 0.3 . 1 . . . . 43 ALA C . 19206 1 399 . 1 1 43 43 ALA CA C 13 49.591 0.3 . 1 . . . . 43 ALA CA . 19206 1 400 . 1 1 43 43 ALA CB C 13 23.095 0.3 . 1 . . . . 43 ALA CB . 19206 1 401 . 1 1 43 43 ALA N N 15 125.845 0.3 . 1 . . . . 43 ALA N . 19206 1 402 . 1 1 44 44 ASN H H 1 8.473 0.020 . 1 . . . . 44 ASN H . 19206 1 403 . 1 1 44 44 ASN HA H 1 4.638 0.020 . 1 . . . . 44 ASN HA . 19206 1 404 . 1 1 44 44 ASN HB2 H 1 2.509 0.020 . 1 . . . . 44 ASN HB2 . 19206 1 405 . 1 1 44 44 ASN HB3 H 1 2.509 0.020 . 1 . . . . 44 ASN HB3 . 19206 1 406 . 1 1 44 44 ASN C C 13 178.488 0.3 . 1 . . . . 44 ASN C . 19206 1 407 . 1 1 44 44 ASN CA C 13 54.624 0.3 . 1 . . . . 44 ASN CA . 19206 1 408 . 1 1 44 44 ASN CB C 13 37.097 0.3 . 1 . . . . 44 ASN CB . 19206 1 409 . 1 1 44 44 ASN N N 15 116.389 0.3 . 1 . . . . 44 ASN N . 19206 1 410 . 1 1 45 45 ASN H H 1 9.389 0.020 . 1 . . . . 45 ASN H . 19206 1 411 . 1 1 45 45 ASN HA H 1 4.088 0.020 . 1 . . . . 45 ASN HA . 19206 1 412 . 1 1 45 45 ASN HB2 H 1 3.389 0.020 . 2 . . . . 45 ASN HB2 . 19206 1 413 . 1 1 45 45 ASN HB3 H 1 2.996 0.020 . 2 . . . . 45 ASN HB3 . 19206 1 414 . 1 1 45 45 ASN C C 13 174.627 0.3 . 1 . . . . 45 ASN C . 19206 1 415 . 1 1 45 45 ASN CA C 13 56.346 0.3 . 1 . . . . 45 ASN CA . 19206 1 416 . 1 1 45 45 ASN CB C 13 37.095 0.3 . 1 . . . . 45 ASN CB . 19206 1 417 . 1 1 45 45 ASN N N 15 114.523 0.3 . 1 . . . . 45 ASN N . 19206 1 418 . 1 1 46 46 ASP H H 1 8.410 0.020 . 1 . . . . 46 ASP H . 19206 1 419 . 1 1 46 46 ASP HA H 1 5.159 0.020 . 1 . . . . 46 ASP HA . 19206 1 420 . 1 1 46 46 ASP HB2 H 1 3.195 0.020 . 2 . . . . 46 ASP HB2 . 19206 1 421 . 1 1 46 46 ASP HB3 H 1 3.079 0.020 . 2 . . . . 46 ASP HB3 . 19206 1 422 . 1 1 46 46 ASP C C 13 175.440 0.3 . 1 . . . . 46 ASP C . 19206 1 423 . 1 1 46 46 ASP CA C 13 56.119 0.3 . 1 . . . . 46 ASP CA . 19206 1 424 . 1 1 46 46 ASP CB C 13 41.595 0.3 . 1 . . . . 46 ASP CB . 19206 1 425 . 1 1 46 46 ASP N N 15 123.410 0.3 . 1 . . . . 46 ASP N . 19206 1 426 . 1 1 47 47 SER H H 1 8.550 0.020 . 1 . . . . 47 SER H . 19206 1 427 . 1 1 47 47 SER HA H 1 5.631 0.020 . 1 . . . . 47 SER HA . 19206 1 428 . 1 1 47 47 SER HB2 H 1 3.982 0.020 . 2 . . . . 47 SER HB2 . 19206 1 429 . 1 1 47 47 SER HB3 H 1 3.554 0.020 . 2 . . . . 47 SER HB3 . 19206 1 430 . 1 1 47 47 SER C C 13 173.209 0.3 . 1 . . . . 47 SER C . 19206 1 431 . 1 1 47 47 SER CA C 13 56.610 0.3 . 1 . . . . 47 SER CA . 19206 1 432 . 1 1 47 47 SER CB C 13 68.370 0.3 . 1 . . . . 47 SER CB . 19206 1 433 . 1 1 47 47 SER N N 15 117.441 0.3 . 1 . . . . 47 SER N . 19206 1 434 . 1 1 48 48 VAL H H 1 8.319 0.020 . 1 . . . . 48 VAL H . 19206 1 435 . 1 1 48 48 VAL HA H 1 5.378 0.020 . 1 . . . . 48 VAL HA . 19206 1 436 . 1 1 48 48 VAL HB H 1 2.082 0.020 . 1 . . . . 48 VAL HB . 19206 1 437 . 1 1 48 48 VAL HG11 H 1 0.961 0.020 . 1 . . . . 48 VAL HG1 . 19206 1 438 . 1 1 48 48 VAL HG12 H 1 0.961 0.020 . 1 . . . . 48 VAL HG1 . 19206 1 439 . 1 1 48 48 VAL HG13 H 1 0.961 0.020 . 1 . . . . 48 VAL HG1 . 19206 1 440 . 1 1 48 48 VAL HG21 H 1 0.961 0.020 . 1 . . . . 48 VAL HG2 . 19206 1 441 . 1 1 48 48 VAL HG22 H 1 0.961 0.020 . 1 . . . . 48 VAL HG2 . 19206 1 442 . 1 1 48 48 VAL HG23 H 1 0.961 0.020 . 1 . . . . 48 VAL HG2 . 19206 1 443 . 1 1 48 48 VAL C C 13 175.035 0.3 . 1 . . . . 48 VAL C . 19206 1 444 . 1 1 48 48 VAL CA C 13 58.859 0.3 . 1 . . . . 48 VAL CA . 19206 1 445 . 1 1 48 48 VAL CB C 13 34.843 0.3 . 1 . . . . 48 VAL CB . 19206 1 446 . 1 1 48 48 VAL CG1 C 13 24.755 0.3 . 1 . . . . 48 VAL CG1 . 19206 1 447 . 1 1 48 48 VAL CG2 C 13 20.605 0.3 . 1 . . . . 48 VAL CG2 . 19206 1 448 . 1 1 48 48 VAL N N 15 108.377 0.3 . 1 . . . . 48 VAL N . 19206 1 449 . 1 1 49 49 LYS H H 1 8.977 0.020 . 1 . . . . 49 LYS H . 19206 1 450 . 1 1 49 49 LYS HA H 1 5.918 0.020 . 1 . . . . 49 LYS HA . 19206 1 451 . 1 1 49 49 LYS HB2 H 1 1.664 0.020 . 2 . . . . 49 LYS HB2 . 19206 1 452 . 1 1 49 49 LYS HB3 H 1 1.608 0.020 . 2 . . . . 49 LYS HB3 . 19206 1 453 . 1 1 49 49 LYS HG2 H 1 1.107 0.020 . 2 . . . . 49 LYS HG2 . 19206 1 454 . 1 1 49 49 LYS HG3 H 1 1.189 0.020 . 2 . . . . 49 LYS HG3 . 19206 1 455 . 1 1 49 49 LYS HD2 H 1 1.342 0.020 . 2 . . . . 49 LYS HD2 . 19206 1 456 . 1 1 49 49 LYS HD3 H 1 1.389 0.020 . 2 . . . . 49 LYS HD3 . 19206 1 457 . 1 1 49 49 LYS HE2 H 1 2.639 0.020 . 2 . . . . 49 LYS HE2 . 19206 1 458 . 1 1 49 49 LYS HE3 H 1 2.610 0.020 . 2 . . . . 49 LYS HE3 . 19206 1 459 . 1 1 49 49 LYS C C 13 174.627 0.3 . 1 . . . . 49 LYS C . 19206 1 460 . 1 1 49 49 LYS CA C 13 54.358 0.3 . 1 . . . . 49 LYS CA . 19206 1 461 . 1 1 49 49 LYS CB C 13 37.597 0.3 . 1 . . . . 49 LYS CB . 19206 1 462 . 1 1 49 49 LYS CG C 13 22.937 0.3 . 1 . . . . 49 LYS CG . 19206 1 463 . 1 1 49 49 LYS CD C 13 29.807 0.3 . 1 . . . . 49 LYS CD . 19206 1 464 . 1 1 49 49 LYS CE C 13 41.547 0.3 . 1 . . . . 49 LYS CE . 19206 1 465 . 1 1 49 49 LYS N N 15 117.030 0.3 . 1 . . . . 49 LYS N . 19206 1 466 . 1 1 50 50 TYR H H 1 9.174 0.020 . 1 . . . . 50 TYR H . 19206 1 467 . 1 1 50 50 TYR HA H 1 4.815 0.020 . 1 . . . . 50 TYR HA . 19206 1 468 . 1 1 50 50 TYR HB2 H 1 3.178 0.020 . 2 . . . . 50 TYR HB2 . 19206 1 469 . 1 1 50 50 TYR HB3 H 1 3.091 0.020 . 2 . . . . 50 TYR HB3 . 19206 1 470 . 1 1 50 50 TYR HD1 H 1 7.004 0.020 . 1 . . . . 50 TYR HD1 . 19206 1 471 . 1 1 50 50 TYR HD2 H 1 7.004 0.020 . 1 . . . . 50 TYR HD2 . 19206 1 472 . 1 1 50 50 TYR HE1 H 1 6.499 0.020 . 1 . . . . 50 TYR HE1 . 19206 1 473 . 1 1 50 50 TYR HE2 H 1 6.499 0.020 . 1 . . . . 50 TYR HE2 . 19206 1 474 . 1 1 50 50 TYR C C 13 171.985 0.3 . 1 . . . . 50 TYR C . 19206 1 475 . 1 1 50 50 TYR CA C 13 57.367 0.3 . 1 . . . . 50 TYR CA . 19206 1 476 . 1 1 50 50 TYR CB C 13 40.108 0.3 . 1 . . . . 50 TYR CB . 19206 1 477 . 1 1 50 50 TYR CD1 C 13 132.969 0.3 . 1 . . . . 50 TYR CD1 . 19206 1 478 . 1 1 50 50 TYR CD2 C 13 132.969 0.3 . 1 . . . . 50 TYR CD2 . 19206 1 479 . 1 1 50 50 TYR CE1 C 13 117.262 0.3 . 1 . . . . 50 TYR CE1 . 19206 1 480 . 1 1 50 50 TYR CE2 C 13 117.262 0.3 . 1 . . . . 50 TYR CE2 . 19206 1 481 . 1 1 50 50 TYR N N 15 119.231 0.3 . 1 . . . . 50 TYR N . 19206 1 482 . 1 1 51 51 THR H H 1 8.461 0.020 . 1 . . . . 51 THR H . 19206 1 483 . 1 1 51 51 THR HA H 1 4.345 0.020 . 1 . . . . 51 THR HA . 19206 1 484 . 1 1 51 51 THR HB H 1 3.784 0.020 . 1 . . . . 51 THR HB . 19206 1 485 . 1 1 51 51 THR HG21 H 1 0.814 0.020 . 1 . . . . 51 THR HG2 . 19206 1 486 . 1 1 51 51 THR HG22 H 1 0.814 0.020 . 1 . . . . 51 THR HG2 . 19206 1 487 . 1 1 51 51 THR HG23 H 1 0.814 0.020 . 1 . . . . 51 THR HG2 . 19206 1 488 . 1 1 51 51 THR C C 13 171.375 0.3 . 1 . . . . 51 THR C . 19206 1 489 . 1 1 51 51 THR CA C 13 62.625 0.3 . 1 . . . . 51 THR CA . 19206 1 490 . 1 1 51 51 THR CB C 13 69.117 0.3 . 1 . . . . 51 THR CB . 19206 1 491 . 1 1 51 51 THR CG2 C 13 21.003 0.3 . 1 . . . . 51 THR CG2 . 19206 1 492 . 1 1 51 51 THR N N 15 117.556 0.3 . 1 . . . . 51 THR N . 19206 1 493 . 1 1 52 52 GLN H H 1 8.419 0.020 . 1 . . . . 52 GLN H . 19206 1 494 . 1 1 52 52 GLN HA H 1 4.192 0.020 . 1 . . . . 52 GLN HA . 19206 1 495 . 1 1 52 52 GLN HB2 H 1 1.298 0.020 . 1 . . . . 52 GLN HB2 . 19206 1 496 . 1 1 52 52 GLN HB3 H 1 1.298 0.020 . 1 . . . . 52 GLN HB3 . 19206 1 497 . 1 1 52 52 GLN C C 13 172.797 0.3 . 1 . . . . 52 GLN C . 19206 1 498 . 1 1 52 52 GLN CA C 13 52.112 0.3 . 1 . . . . 52 GLN CA . 19206 1 499 . 1 1 52 52 GLN CB C 13 32.755 0.3 . 1 . . . . 52 GLN CB . 19206 1 500 . 1 1 52 52 GLN N N 15 129.576 0.3 . 1 . . . . 52 GLN N . 19206 1 501 . 1 1 53 53 TYR H H 1 8.531 0.020 . 1 . . . . 53 TYR H . 19206 1 502 . 1 1 53 53 TYR HA H 1 4.427 0.020 . 1 . . . . 53 TYR HA . 19206 1 503 . 1 1 53 53 TYR HB2 H 1 2.944 0.020 . 2 . . . . 53 TYR HB2 . 19206 1 504 . 1 1 53 53 TYR HB3 H 1 2.690 0.020 . 2 . . . . 53 TYR HB3 . 19206 1 505 . 1 1 53 53 TYR HD1 H 1 6.909 0.020 . 1 . . . . 53 TYR HD1 . 19206 1 506 . 1 1 53 53 TYR HD2 H 1 6.909 0.020 . 1 . . . . 53 TYR HD2 . 19206 1 507 . 1 1 53 53 TYR HE1 H 1 6.746 0.020 . 1 . . . . 53 TYR HE1 . 19206 1 508 . 1 1 53 53 TYR HE2 H 1 6.746 0.020 . 1 . . . . 53 TYR HE2 . 19206 1 509 . 1 1 53 53 TYR C C 13 175.847 0.3 . 1 . . . . 53 TYR C . 19206 1 510 . 1 1 53 53 TYR CA C 13 58.859 0.3 . 1 . . . . 53 TYR CA . 19206 1 511 . 1 1 53 53 TYR CB C 13 38.341 0.3 . 1 . . . . 53 TYR CB . 19206 1 512 . 1 1 53 53 TYR CD1 C 13 132.583 0.3 . 1 . . . . 53 TYR CD1 . 19206 1 513 . 1 1 53 53 TYR CD2 C 13 132.583 0.3 . 1 . . . . 53 TYR CD2 . 19206 1 514 . 1 1 53 53 TYR CE1 C 13 117.917 0.3 . 1 . . . . 53 TYR CE1 . 19206 1 515 . 1 1 53 53 TYR CE2 C 13 117.917 0.3 . 1 . . . . 53 TYR CE2 . 19206 1 516 . 1 1 53 53 TYR N N 15 126.579 0.3 . 1 . . . . 53 TYR N . 19206 1 517 . 1 1 54 54 PHE H H 1 8.026 0.020 . 1 . . . . 54 PHE H . 19206 1 518 . 1 1 54 54 PHE HA H 1 5.090 0.020 . 1 . . . . 54 PHE HA . 19206 1 519 . 1 1 54 54 PHE HB2 H 1 2.898 0.020 . 1 . . . . 54 PHE HB2 . 19206 1 520 . 1 1 54 54 PHE HB3 H 1 2.898 0.020 . 1 . . . . 54 PHE HB3 . 19206 1 521 . 1 1 54 54 PHE HD1 H 1 7.074 0.020 . 1 . . . . 54 PHE HD1 . 19206 1 522 . 1 1 54 54 PHE HD2 H 1 7.074 0.020 . 1 . . . . 54 PHE HD2 . 19206 1 523 . 1 1 54 54 PHE HE1 H 1 6.710 0.020 . 1 . . . . 54 PHE HE1 . 19206 1 524 . 1 1 54 54 PHE HE2 H 1 6.710 0.020 . 1 . . . . 54 PHE HE2 . 19206 1 525 . 1 1 54 54 PHE HZ H 1 6.416 0.020 . 1 . . . . 54 PHE HZ . 19206 1 526 . 1 1 54 54 PHE C C 13 174.829 0.3 . 1 . . . . 54 PHE C . 19206 1 527 . 1 1 54 54 PHE CA C 13 56.360 0.3 . 1 . . . . 54 PHE CA . 19206 1 528 . 1 1 54 54 PHE CB C 13 42.382 0.3 . 1 . . . . 54 PHE CB . 19206 1 529 . 1 1 54 54 PHE CD1 C 13 132.887 0.3 . 1 . . . . 54 PHE CD1 . 19206 1 530 . 1 1 54 54 PHE CD2 C 13 132.887 0.3 . 1 . . . . 54 PHE CD2 . 19206 1 531 . 1 1 54 54 PHE CZ C 13 129.143 0.3 . 1 . . . . 54 PHE CZ . 19206 1 532 . 1 1 54 54 PHE N N 15 127.954 0.3 . 1 . . . . 54 PHE N . 19206 1 533 . 1 1 56 56 THR H H 1 7.799 0.020 . 1 . . . . 56 THR H . 19206 1 534 . 1 1 56 56 THR HA H 1 4.780 0.020 . 1 . . . . 56 THR HA . 19206 1 535 . 1 1 56 56 THR HB H 1 4.416 0.020 . 1 . . . . 56 THR HB . 19206 1 536 . 1 1 56 56 THR HG21 H 1 1.207 0.020 . 1 . . . . 56 THR HG2 . 19206 1 537 . 1 1 56 56 THR HG22 H 1 1.207 0.020 . 1 . . . . 56 THR HG2 . 19206 1 538 . 1 1 56 56 THR HG23 H 1 1.207 0.020 . 1 . . . . 56 THR HG2 . 19206 1 539 . 1 1 56 56 THR C C 13 175.642 0.3 . 1 . . . . 56 THR C . 19206 1 540 . 1 1 56 56 THR CA C 13 60.612 0.3 . 1 . . . . 56 THR CA . 19206 1 541 . 1 1 56 56 THR CB C 13 71.120 0.3 . 1 . . . . 56 THR CB . 19206 1 542 . 1 1 56 56 THR CG2 C 13 21.775 0.3 . 1 . . . . 56 THR CG2 . 19206 1 543 . 1 1 56 56 THR N N 15 112.333 0.3 . 1 . . . . 56 THR N . 19206 1 544 . 1 1 57 57 SER H H 1 8.167 0.020 . 1 . . . . 57 SER H . 19206 1 545 . 1 1 57 57 SER HA H 1 3.589 0.020 . 1 . . . . 57 SER HA . 19206 1 546 . 1 1 57 57 SER HB2 H 1 3.993 0.020 . 2 . . . . 57 SER HB2 . 19206 1 547 . 1 1 57 57 SER HB3 H 1 3.640 0.020 . 2 . . . . 57 SER HB3 . 19206 1 548 . 1 1 57 57 SER C C 13 172.798 0.3 . 1 . . . . 57 SER C . 19206 1 549 . 1 1 57 57 SER CA C 13 60.381 0.3 . 1 . . . . 57 SER CA . 19206 1 550 . 1 1 57 57 SER CB C 13 65.865 0.3 . 1 . . . . 57 SER CB . 19206 1 551 . 1 1 57 57 SER N N 15 112.557 0.3 . 1 . . . . 57 SER N . 19206 1 552 . 1 1 58 58 THR H H 1 7.113 0.020 . 1 . . . . 58 THR H . 19206 1 553 . 1 1 58 58 THR HA H 1 5.132 0.020 . 1 . . . . 58 THR HA . 19206 1 554 . 1 1 58 58 THR HB H 1 3.513 0.020 . 1 . . . . 58 THR HB . 19206 1 555 . 1 1 58 58 THR HG21 H 1 0.867 0.020 . 1 . . . . 58 THR HG2 . 19206 1 556 . 1 1 58 58 THR HG22 H 1 0.867 0.020 . 1 . . . . 58 THR HG2 . 19206 1 557 . 1 1 58 58 THR HG23 H 1 0.867 0.020 . 1 . . . . 58 THR HG2 . 19206 1 558 . 1 1 58 58 THR C C 13 173.203 0.3 . 1 . . . . 58 THR C . 19206 1 559 . 1 1 58 58 THR CA C 13 61.676 0.3 . 1 . . . . 58 THR CA . 19206 1 560 . 1 1 58 58 THR CB C 13 70.620 0.3 . 1 . . . . 58 THR CB . 19206 1 561 . 1 1 58 58 THR CG2 C 13 21.188 0.3 . 1 . . . . 58 THR CG2 . 19206 1 562 . 1 1 58 58 THR N N 15 113.555 0.3 . 1 . . . . 58 THR N . 19206 1 563 . 1 1 59 59 HIS H H 1 8.857 0.020 . 1 . . . . 59 HIS H . 19206 1 564 . 1 1 59 59 HIS HA H 1 4.803 0.020 . 1 . . . . 59 HIS HA . 19206 1 565 . 1 1 59 59 HIS HB2 H 1 2.808 0.020 . 2 . . . . 59 HIS HB2 . 19206 1 566 . 1 1 59 59 HIS HB3 H 1 2.251 0.020 . 2 . . . . 59 HIS HB3 . 19206 1 567 . 1 1 59 59 HIS HD2 H 1 6.573 0.020 . 1 . . . . 59 HIS HD2 . 19206 1 568 . 1 1 59 59 HIS HE1 H 1 7.965 0.020 . 1 . . . . 59 HIS HE1 . 19206 1 569 . 1 1 59 59 HIS C C 13 173.814 0.3 . 1 . . . . 59 HIS C . 19206 1 570 . 1 1 59 59 HIS CA C 13 57.111 0.3 . 1 . . . . 59 HIS CA . 19206 1 571 . 1 1 59 59 HIS CB C 13 35.844 0.3 . 1 . . . . 59 HIS CB . 19206 1 572 . 1 1 59 59 HIS CD2 C 13 116.594 0.3 . 1 . . . . 59 HIS CD2 . 19206 1 573 . 1 1 59 59 HIS CE1 C 13 138.818 0.3 . 1 . . . . 59 HIS CE1 . 19206 1 574 . 1 1 59 59 HIS N N 15 123.733 0.3 . 1 . . . . 59 HIS N . 19206 1 575 . 1 1 60 60 SER H H 1 8.930 0.020 . 1 . . . . 60 SER H . 19206 1 576 . 1 1 60 60 SER HA H 1 5.484 0.020 . 1 . . . . 60 SER HA . 19206 1 577 . 1 1 60 60 SER HB2 H 1 3.829 0.020 . 2 . . . . 60 SER HB2 . 19206 1 578 . 1 1 60 60 SER HB3 H 1 3.724 0.020 . 2 . . . . 60 SER HB3 . 19206 1 579 . 1 1 60 60 SER C C 13 173.612 0.3 . 1 . . . . 60 SER C . 19206 1 580 . 1 1 60 60 SER CA C 13 57.360 0.3 . 1 . . . . 60 SER CA . 19206 1 581 . 1 1 60 60 SER CB C 13 64.611 0.3 . 1 . . . . 60 SER CB . 19206 1 582 . 1 1 60 60 SER N N 15 114.607 0.3 . 1 . . . . 60 SER N . 19206 1 583 . 1 1 61 61 PHE H H 1 9.204 0.020 . 1 . . . . 61 PHE H . 19206 1 584 . 1 1 61 61 PHE HA H 1 5.302 0.020 . 1 . . . . 61 PHE HA . 19206 1 585 . 1 1 61 61 PHE HB2 H 1 3.096 0.020 . 1 . . . . 61 PHE HB2 . 19206 1 586 . 1 1 61 61 PHE HB3 H 1 3.096 0.020 . 1 . . . . 61 PHE HB3 . 19206 1 587 . 1 1 61 61 PHE HD1 H 1 7.248 0.020 . 1 . . . . 61 PHE HD1 . 19206 1 588 . 1 1 61 61 PHE HD2 H 1 7.248 0.020 . 1 . . . . 61 PHE HD2 . 19206 1 589 . 1 1 61 61 PHE HE1 H 1 7.233 0.020 . 1 . . . . 61 PHE HE1 . 19206 1 590 . 1 1 61 61 PHE HE2 H 1 7.233 0.020 . 1 . . . . 61 PHE HE2 . 19206 1 591 . 1 1 61 61 PHE HZ H 1 6.726 0.020 . 1 . . . . 61 PHE HZ . 19206 1 592 . 1 1 61 61 PHE C C 13 174.221 0.3 . 1 . . . . 61 PHE C . 19206 1 593 . 1 1 61 61 PHE CA C 13 57.348 0.3 . 1 . . . . 61 PHE CA . 19206 1 594 . 1 1 61 61 PHE CB C 13 43.104 0.3 . 1 . . . . 61 PHE CB . 19206 1 595 . 1 1 61 61 PHE CD1 C 13 131.952 0.3 . 1 . . . . 61 PHE CD1 . 19206 1 596 . 1 1 61 61 PHE CD2 C 13 131.952 0.3 . 1 . . . . 61 PHE CD2 . 19206 1 597 . 1 1 61 61 PHE CE1 C 13 131.000 0.3 . 1 . . . . 61 PHE CE1 . 19206 1 598 . 1 1 61 61 PHE CE2 C 13 131.000 0.3 . 1 . . . . 61 PHE CE2 . 19206 1 599 . 1 1 61 61 PHE CZ C 13 128.911 0.3 . 1 . . . . 61 PHE CZ . 19206 1 600 . 1 1 61 61 PHE N N 15 122.508 0.3 . 1 . . . . 61 PHE N . 19206 1 601 . 1 1 62 62 SER H H 1 9.798 0.020 . 1 . . . . 62 SER H . 19206 1 602 . 1 1 62 62 SER HA H 1 5.707 0.020 . 1 . . . . 62 SER HA . 19206 1 603 . 1 1 62 62 SER HB2 H 1 3.684 0.020 . 1 . . . . 62 SER HB2 . 19206 1 604 . 1 1 62 62 SER HB3 H 1 3.684 0.020 . 1 . . . . 62 SER HB3 . 19206 1 605 . 1 1 62 62 SER C C 13 170.970 0.3 . 1 . . . . 62 SER C . 19206 1 606 . 1 1 62 62 SER CA C 13 57.368 0.3 . 1 . . . . 62 SER CA . 19206 1 607 . 1 1 62 62 SER CB C 13 64.864 0.3 . 1 . . . . 62 SER CB . 19206 1 608 . 1 1 62 62 SER N N 15 120.313 0.3 . 1 . . . . 62 SER N . 19206 1 609 . 1 1 63 63 LEU H H 1 9.126 0.020 . 1 . . . . 63 LEU H . 19206 1 610 . 1 1 63 63 LEU HA H 1 4.966 0.020 . 1 . . . . 63 LEU HA . 19206 1 611 . 1 1 63 63 LEU HB2 H 1 1.237 0.020 . 1 . . . . 63 LEU HB2 . 19206 1 612 . 1 1 63 63 LEU HB3 H 1 1.237 0.020 . 1 . . . . 63 LEU HB3 . 19206 1 613 . 1 1 63 63 LEU HG H 1 0.949 0.020 . 1 . . . . 63 LEU HG . 19206 1 614 . 1 1 63 63 LEU HD11 H 1 0.620 0.020 . 2 . . . . 63 LEU HD1 . 19206 1 615 . 1 1 63 63 LEU HD12 H 1 0.620 0.020 . 2 . . . . 63 LEU HD1 . 19206 1 616 . 1 1 63 63 LEU HD13 H 1 0.620 0.020 . 2 . . . . 63 LEU HD1 . 19206 1 617 . 1 1 63 63 LEU HD21 H 1 0.397 0.020 . 2 . . . . 63 LEU HD2 . 19206 1 618 . 1 1 63 63 LEU HD22 H 1 0.397 0.020 . 2 . . . . 63 LEU HD2 . 19206 1 619 . 1 1 63 63 LEU HD23 H 1 0.397 0.020 . 2 . . . . 63 LEU HD2 . 19206 1 620 . 1 1 63 63 LEU C C 13 174.627 0.3 . 1 . . . . 63 LEU C . 19206 1 621 . 1 1 63 63 LEU CA C 13 52.620 0.3 . 1 . . . . 63 LEU CA . 19206 1 622 . 1 1 63 63 LEU CB C 13 45.477 0.3 . 1 . . . . 63 LEU CB . 19206 1 623 . 1 1 63 63 LEU CG C 13 25.859 0.3 . 1 . . . . 63 LEU CG . 19206 1 624 . 1 1 63 63 LEU CD1 C 13 24.729 0.3 . 1 . . . . 63 LEU CD1 . 19206 1 625 . 1 1 63 63 LEU CD2 C 13 26.178 0.3 . 1 . . . . 63 LEU CD2 . 19206 1 626 . 1 1 63 63 LEU N N 15 127.854 0.3 . 1 . . . . 63 LEU N . 19206 1 627 . 1 1 64 64 ARG H H 1 7.646 0.020 . 1 . . . . 64 ARG H . 19206 1 628 . 1 1 64 64 ARG HA H 1 5.242 0.020 . 1 . . . . 64 ARG HA . 19206 1 629 . 1 1 64 64 ARG HB2 H 1 1.015 0.020 . 1 . . . . 64 ARG HB2 . 19206 1 630 . 1 1 64 64 ARG HB3 H 1 1.015 0.020 . 1 . . . . 64 ARG HB3 . 19206 1 631 . 1 1 64 64 ARG HG2 H 1 0.757 0.020 . 1 . . . . 64 ARG HG2 . 19206 1 632 . 1 1 64 64 ARG HG3 H 1 0.757 0.020 . 1 . . . . 64 ARG HG3 . 19206 1 633 . 1 1 64 64 ARG HD2 H 1 3.250 0.020 . 2 . . . . 64 ARG HD2 . 19206 1 634 . 1 1 64 64 ARG HD3 H 1 2.721 0.020 . 2 . . . . 64 ARG HD3 . 19206 1 635 . 1 1 64 64 ARG C C 13 174.422 0.3 . 1 . . . . 64 ARG C . 19206 1 636 . 1 1 64 64 ARG CA C 13 53.594 0.3 . 1 . . . . 64 ARG CA . 19206 1 637 . 1 1 64 64 ARG CB C 13 29.590 0.3 . 1 . . . . 64 ARG CB . 19206 1 638 . 1 1 64 64 ARG CG C 13 28.828 0.3 . 1 . . . . 64 ARG CG . 19206 1 639 . 1 1 64 64 ARG CD C 13 43.015 0.3 . 1 . . . . 64 ARG CD . 19206 1 640 . 1 1 64 64 ARG N N 15 126.579 0.3 . 1 . . . . 64 ARG N . 19206 1 641 . 1 1 65 65 GLY H H 1 8.744 0.020 . 1 . . . . 65 GLY H . 19206 1 642 . 1 1 65 65 GLY HA2 H 1 4.012 0.020 . 2 . . . . 65 GLY HA2 . 19206 1 643 . 1 1 65 65 GLY HA3 H 1 2.493 0.020 . 2 . . . . 65 GLY HA3 . 19206 1 644 . 1 1 65 65 GLY C C 13 169.344 0.3 . 1 . . . . 65 GLY C . 19206 1 645 . 1 1 65 65 GLY CA C 13 45.600 0.3 . 1 . . . . 65 GLY CA . 19206 1 646 . 1 1 65 65 GLY N N 15 117.635 0.3 . 1 . . . . 65 GLY N . 19206 1 647 . 1 1 66 66 ALA H H 1 8.622 0.020 . 1 . . . . 66 ALA H . 19206 1 648 . 1 1 66 66 ALA HA H 1 4.669 0.020 . 1 . . . . 66 ALA HA . 19206 1 649 . 1 1 66 66 ALA HB1 H 1 1.201 0.020 . 1 . . . . 66 ALA HB . 19206 1 650 . 1 1 66 66 ALA HB2 H 1 1.201 0.020 . 1 . . . . 66 ALA HB . 19206 1 651 . 1 1 66 66 ALA HB3 H 1 1.201 0.020 . 1 . . . . 66 ALA HB . 19206 1 652 . 1 1 66 66 ALA C C 13 175.438 0.3 . 1 . . . . 66 ALA C . 19206 1 653 . 1 1 66 66 ALA CA C 13 51.983 0.3 . 1 . . . . 66 ALA CA . 19206 1 654 . 1 1 66 66 ALA CB C 13 23.091 0.3 . 1 . . . . 66 ALA CB . 19206 1 655 . 1 1 66 66 ALA N N 15 118.798 0.3 . 1 . . . . 66 ALA N . 19206 1 656 . 1 1 67 67 SER H H 1 7.323 0.020 . 1 . . . . 67 SER H . 19206 1 657 . 1 1 67 67 SER HA H 1 4.833 0.020 . 1 . . . . 67 SER HA . 19206 1 658 . 1 1 67 67 SER HB2 H 1 3.854 0.020 . 2 . . . . 67 SER HB2 . 19206 1 659 . 1 1 67 67 SER HB3 H 1 3.724 0.020 . 2 . . . . 67 SER HB3 . 19206 1 660 . 1 1 67 67 SER C C 13 174.423 0.3 . 1 . . . . 67 SER C . 19206 1 661 . 1 1 67 67 SER CA C 13 54.984 0.3 . 1 . . . . 67 SER CA . 19206 1 662 . 1 1 67 67 SER CB C 13 63.365 0.3 . 1 . . . . 67 SER CB . 19206 1 663 . 1 1 67 67 SER N N 15 111.572 0.3 . 1 . . . . 67 SER N . 19206 1 664 . 1 1 68 68 ASN H H 1 8.618 0.020 . 1 . . . . 68 ASN H . 19206 1 665 . 1 1 68 68 ASN HA H 1 4.021 0.020 . 1 . . . . 68 ASN HA . 19206 1 666 . 1 1 68 68 ASN HB2 H 1 2.884 0.020 . 2 . . . . 68 ASN HB2 . 19206 1 667 . 1 1 68 68 ASN HB3 H 1 1.817 0.020 . 2 . . . . 68 ASN HB3 . 19206 1 668 . 1 1 68 68 ASN C C 13 174.830 0.3 . 1 . . . . 68 ASN C . 19206 1 669 . 1 1 68 68 ASN CA C 13 54.601 0.3 . 1 . . . . 68 ASN CA . 19206 1 670 . 1 1 68 68 ASN CB C 13 37.596 0.3 . 1 . . . . 68 ASN CB . 19206 1 671 . 1 1 68 68 ASN N N 15 119.675 0.3 . 1 . . . . 68 ASN N . 19206 1 672 . 1 1 69 69 ASN H H 1 8.483 0.020 . 1 . . . . 69 ASN H . 19206 1 673 . 1 1 69 69 ASN HA H 1 4.604 0.020 . 1 . . . . 69 ASN HA . 19206 1 674 . 1 1 69 69 ASN HB2 H 1 3.220 0.020 . 2 . . . . 69 ASN HB2 . 19206 1 675 . 1 1 69 69 ASN HB3 H 1 2.685 0.020 . 2 . . . . 69 ASN HB3 . 19206 1 676 . 1 1 69 69 ASN C C 13 172.799 0.3 . 1 . . . . 69 ASN C . 19206 1 677 . 1 1 69 69 ASN CA C 13 51.857 0.3 . 1 . . . . 69 ASN CA . 19206 1 678 . 1 1 69 69 ASN CB C 13 38.094 0.3 . 1 . . . . 69 ASN CB . 19206 1 679 . 1 1 69 69 ASN N N 15 123.906 0.3 . 1 . . . . 69 ASN N . 19206 1 680 . 1 1 70 70 ALA H H 1 7.572 0.020 . 1 . . . . 70 ALA H . 19206 1 681 . 1 1 70 70 ALA HA H 1 4.316 0.020 . 1 . . . . 70 ALA HA . 19206 1 682 . 1 1 70 70 ALA HB1 H 1 1.360 0.020 . 1 . . . . 70 ALA HB . 19206 1 683 . 1 1 70 70 ALA HB2 H 1 1.360 0.020 . 1 . . . . 70 ALA HB . 19206 1 684 . 1 1 70 70 ALA HB3 H 1 1.360 0.020 . 1 . . . . 70 ALA HB . 19206 1 685 . 1 1 70 70 ALA C C 13 178.894 0.3 . 1 . . . . 70 ALA C . 19206 1 686 . 1 1 70 70 ALA CA C 13 53.109 0.3 . 1 . . . . 70 ALA CA . 19206 1 687 . 1 1 70 70 ALA CB C 13 19.084 0.3 . 1 . . . . 70 ALA CB . 19206 1 688 . 1 1 70 70 ALA N N 15 114.633 0.3 . 1 . . . . 70 ALA N . 19206 1 689 . 1 1 71 71 ASN H H 1 8.549 0.020 . 1 . . . . 71 ASN H . 19206 1 690 . 1 1 71 71 ASN HA H 1 4.598 0.020 . 1 . . . . 71 ASN HA . 19206 1 691 . 1 1 71 71 ASN HB2 H 1 3.272 0.020 . 2 . . . . 71 ASN HB2 . 19206 1 692 . 1 1 71 71 ASN HB3 H 1 2.814 0.020 . 2 . . . . 71 ASN HB3 . 19206 1 693 . 1 1 71 71 ASN C C 13 173.613 0.3 . 1 . . . . 71 ASN C . 19206 1 694 . 1 1 71 71 ASN CA C 13 52.863 0.3 . 1 . . . . 71 ASN CA . 19206 1 695 . 1 1 71 71 ASN CB C 13 38.840 0.3 . 1 . . . . 71 ASN CB . 19206 1 696 . 1 1 71 71 ASN N N 15 117.298 0.3 . 1 . . . . 71 ASN N . 19206 1 697 . 1 1 72 72 MET H H 1 8.046 0.020 . 1 . . . . 72 MET H . 19206 1 698 . 1 1 72 72 MET HA H 1 4.698 0.020 . 1 . . . . 72 MET HA . 19206 1 699 . 1 1 72 72 MET HB2 H 1 1.852 0.020 . 2 . . . . 72 MET HB2 . 19206 1 700 . 1 1 72 72 MET HB3 H 1 1.888 0.020 . 2 . . . . 72 MET HB3 . 19206 1 701 . 1 1 72 72 MET HG2 H 1 2.163 0.020 . 1 . . . . 72 MET HG2 . 19206 1 702 . 1 1 72 72 MET HG3 H 1 2.163 0.020 . 1 . . . . 72 MET HG3 . 19206 1 703 . 1 1 72 72 MET C C 13 173.817 0.3 . 1 . . . . 72 MET C . 19206 1 704 . 1 1 72 72 MET CA C 13 54.608 0.3 . 1 . . . . 72 MET CA . 19206 1 705 . 1 1 72 72 MET CB C 13 32.595 0.3 . 1 . . . . 72 MET CB . 19206 1 706 . 1 1 72 72 MET CG C 13 30.715 0.3 . 1 . . . . 72 MET CG . 19206 1 707 . 1 1 72 72 MET N N 15 119.193 0.3 . 1 . . . . 72 MET N . 19206 1 708 . 1 1 73 73 ALA H H 1 8.285 0.020 . 1 . . . . 73 ALA H . 19206 1 709 . 1 1 73 73 ALA HA H 1 1.964 0.020 . 1 . . . . 73 ALA HA . 19206 1 710 . 1 1 73 73 ALA HB1 H 1 1.037 0.020 . 1 . . . . 73 ALA HB . 19206 1 711 . 1 1 73 73 ALA HB2 H 1 1.037 0.020 . 1 . . . . 73 ALA HB . 19206 1 712 . 1 1 73 73 ALA HB3 H 1 1.037 0.020 . 1 . . . . 73 ALA HB . 19206 1 713 . 1 1 73 73 ALA C C 13 175.643 0.3 . 1 . . . . 73 ALA C . 19206 1 714 . 1 1 73 73 ALA CA C 13 49.854 0.3 . 1 . . . . 73 ALA CA . 19206 1 715 . 1 1 73 73 ALA CB C 13 20.090 0.3 . 1 . . . . 73 ALA CB . 19206 1 716 . 1 1 73 73 ALA N N 15 129.756 0.3 . 1 . . . . 73 ALA N . 19206 1 717 . 1 1 75 75 VAL H H 1 8.427 0.020 . 1 . . . . 75 VAL H . 19206 1 718 . 1 1 75 75 VAL HA H 1 4.199 0.020 . 1 . . . . 75 VAL HA . 19206 1 719 . 1 1 75 75 VAL HB H 1 1.747 0.020 . 1 . . . . 75 VAL HB . 19206 1 720 . 1 1 75 75 VAL HG11 H 1 0.679 0.020 . 2 . . . . 75 VAL HG1 . 19206 1 721 . 1 1 75 75 VAL HG12 H 1 0.679 0.020 . 2 . . . . 75 VAL HG1 . 19206 1 722 . 1 1 75 75 VAL HG13 H 1 0.679 0.020 . 2 . . . . 75 VAL HG1 . 19206 1 723 . 1 1 75 75 VAL HG21 H 1 0.843 0.020 . 2 . . . . 75 VAL HG2 . 19206 1 724 . 1 1 75 75 VAL HG22 H 1 0.843 0.020 . 2 . . . . 75 VAL HG2 . 19206 1 725 . 1 1 75 75 VAL HG23 H 1 0.843 0.020 . 2 . . . . 75 VAL HG2 . 19206 1 726 . 1 1 75 75 VAL C C 13 173.609 0.3 . 1 . . . . 75 VAL C . 19206 1 727 . 1 1 75 75 VAL CA C 13 61.087 0.3 . 1 . . . . 75 VAL CA . 19206 1 728 . 1 1 75 75 VAL CB C 13 36.594 0.3 . 1 . . . . 75 VAL CB . 19206 1 729 . 1 1 75 75 VAL CG1 C 13 21.413 0.3 . 1 . . . . 75 VAL CG1 . 19206 1 730 . 1 1 75 75 VAL CG2 C 13 21.780 0.3 . 1 . . . . 75 VAL CG2 . 19206 1 731 . 1 1 75 75 VAL N N 15 122.930 0.3 . 1 . . . . 75 VAL N . 19206 1 732 . 1 1 76 76 ASP H H 1 9.396 0.020 . 1 . . . . 76 ASP H . 19206 1 733 . 1 1 76 76 ASP HA H 1 5.161 0.020 . 1 . . . . 76 ASP HA . 19206 1 734 . 1 1 76 76 ASP HB2 H 1 2.333 0.020 . 2 . . . . 76 ASP HB2 . 19206 1 735 . 1 1 76 76 ASP HB3 H 1 2.826 0.020 . 2 . . . . 76 ASP HB3 . 19206 1 736 . 1 1 76 76 ASP C C 13 174.424 0.3 . 1 . . . . 76 ASP C . 19206 1 737 . 1 1 76 76 ASP CA C 13 54.446 0.3 . 1 . . . . 76 ASP CA . 19206 1 738 . 1 1 76 76 ASP CB C 13 41.100 0.3 . 1 . . . . 76 ASP CB . 19206 1 739 . 1 1 76 76 ASP N N 15 128.754 0.3 . 1 . . . . 76 ASP N . 19206 1 740 . 1 1 77 77 LEU H H 1 8.393 0.020 . 1 . . . . 77 LEU H . 19206 1 741 . 1 1 77 77 LEU HA H 1 4.991 0.020 . 1 . . . . 77 LEU HA . 19206 1 742 . 1 1 77 77 LEU HB2 H 1 1.348 0.020 . 1 . . . . 77 LEU HB2 . 19206 1 743 . 1 1 77 77 LEU HB3 H 1 1.348 0.020 . 1 . . . . 77 LEU HB3 . 19206 1 744 . 1 1 77 77 LEU HG H 1 0.940 0.020 . 1 . . . . 77 LEU HG . 19206 1 745 . 1 1 77 77 LEU HD11 H 1 0.192 0.020 . 2 . . . . 77 LEU HD1 . 19206 1 746 . 1 1 77 77 LEU HD12 H 1 0.192 0.020 . 2 . . . . 77 LEU HD1 . 19206 1 747 . 1 1 77 77 LEU HD13 H 1 0.192 0.020 . 2 . . . . 77 LEU HD1 . 19206 1 748 . 1 1 77 77 LEU HD21 H 1 0.732 0.020 . 2 . . . . 77 LEU HD2 . 19206 1 749 . 1 1 77 77 LEU HD22 H 1 0.732 0.020 . 2 . . . . 77 LEU HD2 . 19206 1 750 . 1 1 77 77 LEU HD23 H 1 0.732 0.020 . 2 . . . . 77 LEU HD2 . 19206 1 751 . 1 1 77 77 LEU C C 13 174.749 0.3 . 1 . . . . 77 LEU C . 19206 1 752 . 1 1 77 77 LEU CA C 13 53.103 0.3 . 1 . . . . 77 LEU CA . 19206 1 753 . 1 1 77 77 LEU CB C 13 43.475 0.3 . 1 . . . . 77 LEU CB . 19206 1 754 . 1 1 77 77 LEU CG C 13 27.504 0.3 . 1 . . . . 77 LEU CG . 19206 1 755 . 1 1 77 77 LEU CD1 C 13 26.309 0.3 . 1 . . . . 77 LEU CD1 . 19206 1 756 . 1 1 77 77 LEU CD2 C 13 23.096 0.3 . 1 . . . . 77 LEU CD2 . 19206 1 757 . 1 1 77 77 LEU N N 15 120.075 0.3 . 1 . . . . 77 LEU N . 19206 1 758 . 1 1 78 78 LYS H H 1 9.628 0.020 . 1 . . . . 78 LYS H . 19206 1 759 . 1 1 78 78 LYS HA H 1 5.289 0.020 . 1 . . . . 78 LYS HA . 19206 1 760 . 1 1 78 78 LYS HB2 H 1 1.689 0.020 . 2 . . . . 78 LYS HB2 . 19206 1 761 . 1 1 78 78 LYS HB3 H 1 1.396 0.020 . 2 . . . . 78 LYS HB3 . 19206 1 762 . 1 1 78 78 LYS HG2 H 1 1.137 0.020 . 1 . . . . 78 LYS HG2 . 19206 1 763 . 1 1 78 78 LYS HG3 H 1 1.137 0.020 . 1 . . . . 78 LYS HG3 . 19206 1 764 . 1 1 78 78 LYS HD2 H 1 1.344 0.020 . 2 . . . . 78 LYS HD2 . 19206 1 765 . 1 1 78 78 LYS HD3 H 1 1.658 0.020 . 2 . . . . 78 LYS HD3 . 19206 1 766 . 1 1 78 78 LYS HE2 H 1 2.638 0.020 . 1 . . . . 78 LYS HE2 . 19206 1 767 . 1 1 78 78 LYS HE3 H 1 2.638 0.020 . 1 . . . . 78 LYS HE3 . 19206 1 768 . 1 1 78 78 LYS C C 13 175.643 0.3 . 1 . . . . 78 LYS C . 19206 1 769 . 1 1 78 78 LYS CA C 13 54.615 0.3 . 1 . . . . 78 LYS CA . 19206 1 770 . 1 1 78 78 LYS CB C 13 35.096 0.3 . 1 . . . . 78 LYS CB . 19206 1 771 . 1 1 78 78 LYS CG C 13 24.567 0.3 . 1 . . . . 78 LYS CG . 19206 1 772 . 1 1 78 78 LYS CD C 13 29.533 0.3 . 1 . . . . 78 LYS CD . 19206 1 773 . 1 1 78 78 LYS CE C 13 41.263 0.3 . 1 . . . . 78 LYS CE . 19206 1 774 . 1 1 78 78 LYS N N 15 127.594 0.3 . 1 . . . . 78 LYS N . 19206 1 775 . 1 1 79 79 ILE H H 1 8.316 0.020 . 1 . . . . 79 ILE H . 19206 1 776 . 1 1 79 79 ILE HA H 1 5.021 0.020 . 1 . . . . 79 ILE HA . 19206 1 777 . 1 1 79 79 ILE HB H 1 1.376 0.020 . 1 . . . . 79 ILE HB . 19206 1 778 . 1 1 79 79 ILE HG12 H 1 1.201 0.020 . 2 . . . . 79 ILE HG12 . 19206 1 779 . 1 1 79 79 ILE HG13 H 1 0.820 0.020 . 2 . . . . 79 ILE HG13 . 19206 1 780 . 1 1 79 79 ILE HG21 H 1 0.743 0.020 . 1 . . . . 79 ILE HG2 . 19206 1 781 . 1 1 79 79 ILE HG22 H 1 0.743 0.020 . 1 . . . . 79 ILE HG2 . 19206 1 782 . 1 1 79 79 ILE HG23 H 1 0.743 0.020 . 1 . . . . 79 ILE HG2 . 19206 1 783 . 1 1 79 79 ILE HD11 H 1 0.192 0.020 . 1 . . . . 79 ILE HD1 . 19206 1 784 . 1 1 79 79 ILE HD12 H 1 0.192 0.020 . 1 . . . . 79 ILE HD1 . 19206 1 785 . 1 1 79 79 ILE HD13 H 1 0.192 0.020 . 1 . . . . 79 ILE HD1 . 19206 1 786 . 1 1 79 79 ILE C C 13 178.283 0.3 . 1 . . . . 79 ILE C . 19206 1 787 . 1 1 79 79 ILE CA C 13 60.361 0.3 . 1 . . . . 79 ILE CA . 19206 1 788 . 1 1 79 79 ILE CB C 13 40.845 0.3 . 1 . . . . 79 ILE CB . 19206 1 789 . 1 1 79 79 ILE CG1 C 13 26.684 0.3 . 1 . . . . 79 ILE CG1 . 19206 1 790 . 1 1 79 79 ILE CG2 C 13 17.284 0.3 . 1 . . . . 79 ILE CG2 . 19206 1 791 . 1 1 79 79 ILE CD1 C 13 15.558 0.3 . 1 . . . . 79 ILE CD1 . 19206 1 792 . 1 1 79 79 ILE N N 15 117.899 0.3 . 1 . . . . 79 ILE N . 19206 1 793 . 1 1 80 80 GLY H H 1 9.600 0.020 . 1 . . . . 80 GLY H . 19206 1 794 . 1 1 80 80 GLY HA2 H 1 4.316 0.020 . 2 . . . . 80 GLY HA2 . 19206 1 795 . 1 1 80 80 GLY HA3 H 1 3.957 0.020 . 2 . . . . 80 GLY HA3 . 19206 1 796 . 1 1 80 80 GLY C C 13 175.844 0.3 . 1 . . . . 80 GLY C . 19206 1 797 . 1 1 80 80 GLY CA C 13 47.590 0.3 . 1 . . . . 80 GLY CA . 19206 1 798 . 1 1 80 80 GLY N N 15 119.712 0.3 . 1 . . . . 80 GLY N . 19206 1 799 . 1 1 81 81 GLY H H 1 9.779 0.020 . 1 . . . . 81 GLY H . 19206 1 800 . 1 1 81 81 GLY HA2 H 1 4.234 0.020 . 2 . . . . 81 GLY HA2 . 19206 1 801 . 1 1 81 81 GLY HA3 H 1 3.566 0.020 . 2 . . . . 81 GLY HA3 . 19206 1 802 . 1 1 81 81 GLY C C 13 173.408 0.3 . 1 . . . . 81 GLY C . 19206 1 803 . 1 1 81 81 GLY CA C 13 44.852 0.3 . 1 . . . . 81 GLY CA . 19206 1 804 . 1 1 81 81 GLY N N 15 106.324 0.3 . 1 . . . . 81 GLY N . 19206 1 805 . 1 1 82 82 GLN H H 1 7.434 0.020 . 1 . . . . 82 GLN H . 19206 1 806 . 1 1 82 82 GLN HA H 1 4.662 0.020 . 1 . . . . 82 GLN HA . 19206 1 807 . 1 1 82 82 GLN HB2 H 1 2.069 0.020 . 2 . . . . 82 GLN HB2 . 19206 1 808 . 1 1 82 82 GLN HB3 H 1 1.917 0.020 . 2 . . . . 82 GLN HB3 . 19206 1 809 . 1 1 82 82 GLN HG2 H 1 2.351 0.020 . 2 . . . . 82 GLN HG2 . 19206 1 810 . 1 1 82 82 GLN HG3 H 1 2.262 0.020 . 2 . . . . 82 GLN HG3 . 19206 1 811 . 1 1 82 82 GLN C C 13 175.640 0.3 . 1 . . . . 82 GLN C . 19206 1 812 . 1 1 82 82 GLN CA C 13 53.857 0.3 . 1 . . . . 82 GLN CA . 19206 1 813 . 1 1 82 82 GLN CB C 13 31.074 0.3 . 1 . . . . 82 GLN CB . 19206 1 814 . 1 1 82 82 GLN CG C 13 33.134 0.3 . 1 . . . . 82 GLN CG . 19206 1 815 . 1 1 82 82 GLN N N 15 119.149 0.3 . 1 . . . . 82 GLN N . 19206 1 816 . 1 1 83 83 THR H H 1 9.102 0.020 . 1 . . . . 83 THR H . 19206 1 817 . 1 1 83 83 THR HA H 1 4.380 0.020 . 1 . . . . 83 THR HA . 19206 1 818 . 1 1 83 83 THR HB H 1 4.016 0.020 . 1 . . . . 83 THR HB . 19206 1 819 . 1 1 83 83 THR HG21 H 1 1.101 0.020 . 1 . . . . 83 THR HG2 . 19206 1 820 . 1 1 83 83 THR HG22 H 1 1.101 0.020 . 1 . . . . 83 THR HG2 . 19206 1 821 . 1 1 83 83 THR HG23 H 1 1.101 0.020 . 1 . . . . 83 THR HG2 . 19206 1 822 . 1 1 83 83 THR C C 13 175.436 0.3 . 1 . . . . 83 THR C . 19206 1 823 . 1 1 83 83 THR CA C 13 65.118 0.3 . 1 . . . . 83 THR CA . 19206 1 824 . 1 1 83 83 THR CB C 13 68.121 0.3 . 1 . . . . 83 THR CB . 19206 1 825 . 1 1 83 83 THR CG2 C 13 21.417 0.3 . 1 . . . . 83 THR CG2 . 19206 1 826 . 1 1 83 83 THR N N 15 123.060 0.3 . 1 . . . . 83 THR N . 19206 1 827 . 1 1 84 84 LYS H H 1 9.566 0.020 . 1 . . . . 84 LYS H . 19206 1 828 . 1 1 84 84 LYS HA H 1 4.562 0.020 . 1 . . . . 84 LYS HA . 19206 1 829 . 1 1 84 84 LYS HB2 H 1 1.242 0.020 . 1 . . . . 84 LYS HB2 . 19206 1 830 . 1 1 84 84 LYS HB3 H 1 1.242 0.020 . 1 . . . . 84 LYS HB3 . 19206 1 831 . 1 1 84 84 LYS HG2 H 1 1.301 0.020 . 1 . . . . 84 LYS HG2 . 19206 1 832 . 1 1 84 84 LYS HG3 H 1 1.301 0.020 . 1 . . . . 84 LYS HG3 . 19206 1 833 . 1 1 84 84 LYS HD2 H 1 1.100 0.020 . 1 . . . . 84 LYS HD2 . 19206 1 834 . 1 1 84 84 LYS HD3 H 1 1.100 0.020 . 1 . . . . 84 LYS HD3 . 19206 1 835 . 1 1 84 84 LYS HE2 H 1 3.003 0.020 . 1 . . . . 84 LYS HE2 . 19206 1 836 . 1 1 84 84 LYS HE3 H 1 3.003 0.020 . 1 . . . . 84 LYS HE3 . 19206 1 837 . 1 1 84 84 LYS C C 13 175.645 0.3 . 1 . . . . 84 LYS C . 19206 1 838 . 1 1 84 84 LYS CA C 13 54.134 0.3 . 1 . . . . 84 LYS CA . 19206 1 839 . 1 1 84 84 LYS CB C 13 33.595 0.3 . 1 . . . . 84 LYS CB . 19206 1 840 . 1 1 84 84 LYS CD C 13 26.028 0.3 . 1 . . . . 84 LYS CD . 19206 1 841 . 1 1 84 84 LYS CE C 13 44.041 0.3 . 1 . . . . 84 LYS CE . 19206 1 842 . 1 1 84 84 LYS N N 15 126.110 0.3 . 1 . . . . 84 LYS N . 19206 1 843 . 1 1 85 85 GLY H H 1 7.293 0.020 . 1 . . . . 85 GLY H . 19206 1 844 . 1 1 85 85 GLY HA2 H 1 4.074 0.020 . 2 . . . . 85 GLY HA2 . 19206 1 845 . 1 1 85 85 GLY HA3 H 1 3.888 0.020 . 2 . . . . 85 GLY HA3 . 19206 1 846 . 1 1 85 85 GLY C C 13 169.955 0.3 . 1 . . . . 85 GLY C . 19206 1 847 . 1 1 85 85 GLY CA C 13 44.855 0.3 . 1 . . . . 85 GLY CA . 19206 1 848 . 1 1 85 85 GLY N N 15 105.121 0.3 . 1 . . . . 85 GLY N . 19206 1 849 . 1 1 86 86 THR H H 1 7.929 0.020 . 1 . . . . 86 THR H . 19206 1 850 . 1 1 86 86 THR HA H 1 4.657 0.020 . 1 . . . . 86 THR HA . 19206 1 851 . 1 1 86 86 THR HB H 1 3.190 0.020 . 1 . . . . 86 THR HB . 19206 1 852 . 1 1 86 86 THR HG21 H 1 0.345 0.020 . 1 . . . . 86 THR HG2 . 19206 1 853 . 1 1 86 86 THR HG22 H 1 0.345 0.020 . 1 . . . . 86 THR HG2 . 19206 1 854 . 1 1 86 86 THR HG23 H 1 0.345 0.020 . 1 . . . . 86 THR HG2 . 19206 1 855 . 1 1 86 86 THR C C 13 170.767 0.3 . 1 . . . . 86 THR C . 19206 1 856 . 1 1 86 86 THR CA C 13 61.869 0.3 . 1 . . . . 86 THR CA . 19206 1 857 . 1 1 86 86 THR CB C 13 73.112 0.3 . 1 . . . . 86 THR CB . 19206 1 858 . 1 1 86 86 THR CG2 C 13 21.770 0.3 . 1 . . . . 86 THR CG2 . 19206 1 859 . 1 1 86 86 THR N N 15 116.218 0.3 . 1 . . . . 86 THR N . 19206 1 860 . 1 1 87 87 PHE H H 1 9.295 0.020 . 1 . . . . 87 PHE H . 19206 1 861 . 1 1 87 87 PHE HA H 1 3.941 0.020 . 1 . . . . 87 PHE HA . 19206 1 862 . 1 1 87 87 PHE HB2 H 1 2.585 0.020 . 2 . . . . 87 PHE HB2 . 19206 1 863 . 1 1 87 87 PHE HB3 H 1 2.445 0.020 . 2 . . . . 87 PHE HB3 . 19206 1 864 . 1 1 87 87 PHE HD1 H 1 7.312 0.020 . 1 . . . . 87 PHE HD1 . 19206 1 865 . 1 1 87 87 PHE HD2 H 1 7.312 0.020 . 1 . . . . 87 PHE HD2 . 19206 1 866 . 1 1 87 87 PHE HE1 H 1 7.434 0.020 . 1 . . . . 87 PHE HE1 . 19206 1 867 . 1 1 87 87 PHE HE2 H 1 7.434 0.020 . 1 . . . . 87 PHE HE2 . 19206 1 868 . 1 1 87 87 PHE HZ H 1 6.942 0.020 . 1 . . . . 87 PHE HZ . 19206 1 869 . 1 1 87 87 PHE C C 13 173.204 0.3 . 1 . . . . 87 PHE C . 19206 1 870 . 1 1 87 87 PHE CA C 13 56.609 0.3 . 1 . . . . 87 PHE CA . 19206 1 871 . 1 1 87 87 PHE CB C 13 41.286 0.3 . 1 . . . . 87 PHE CB . 19206 1 872 . 1 1 87 87 PHE CD1 C 13 133.534 0.3 . 1 . . . . 87 PHE CD1 . 19206 1 873 . 1 1 87 87 PHE CD2 C 13 133.534 0.3 . 1 . . . . 87 PHE CD2 . 19206 1 874 . 1 1 87 87 PHE CE1 C 13 131.779 0.3 . 1 . . . . 87 PHE CE1 . 19206 1 875 . 1 1 87 87 PHE CE2 C 13 131.779 0.3 . 1 . . . . 87 PHE CE2 . 19206 1 876 . 1 1 87 87 PHE CZ C 13 128.144 0.3 . 1 . . . . 87 PHE CZ . 19206 1 877 . 1 1 87 87 PHE N N 15 122.706 0.3 . 1 . . . . 87 PHE N . 19206 1 878 . 1 1 88 88 TYR HA H 1 4.444 0.020 . 1 . . . . 88 TYR HA . 19206 1 879 . 1 1 88 88 TYR HB2 H 1 3.015 0.020 . 1 . . . . 88 TYR HB2 . 19206 1 880 . 1 1 88 88 TYR HD1 H 1 6.535 0.020 . 1 . . . . 88 TYR HD1 . 19206 1 881 . 1 1 88 88 TYR HD2 H 1 6.535 0.020 . 1 . . . . 88 TYR HD2 . 19206 1 882 . 1 1 88 88 TYR HE1 H 1 6.515 0.020 . 1 . . . . 88 TYR HE1 . 19206 1 883 . 1 1 88 88 TYR HE2 H 1 6.515 0.020 . 1 . . . . 88 TYR HE2 . 19206 1 884 . 1 1 88 88 TYR CA C 13 56.126 0.3 . 1 . . . . 88 TYR CA . 19206 1 885 . 1 1 88 88 TYR CB C 13 40.503 0.3 . 1 . . . . 88 TYR CB . 19206 1 886 . 1 1 88 88 TYR CD1 C 13 133.182 0.3 . 1 . . . . 88 TYR CD1 . 19206 1 887 . 1 1 88 88 TYR CD2 C 13 133.182 0.3 . 1 . . . . 88 TYR CD2 . 19206 1 888 . 1 1 88 88 TYR CE1 C 13 117.290 0.3 . 1 . . . . 88 TYR CE1 . 19206 1 889 . 1 1 88 88 TYR CE2 C 13 117.290 0.3 . 1 . . . . 88 TYR CE2 . 19206 1 890 . 1 1 89 89 PHE H H 1 8.318 0.020 . 1 . . . . 89 PHE H . 19206 1 891 . 1 1 89 89 PHE HA H 1 4.563 0.020 . 1 . . . . 89 PHE HA . 19206 1 892 . 1 1 89 89 PHE HB2 H 1 3.231 0.020 . 2 . . . . 89 PHE HB2 . 19206 1 893 . 1 1 89 89 PHE HB3 H 1 2.417 0.020 . 2 . . . . 89 PHE HB3 . 19206 1 894 . 1 1 89 89 PHE HD1 H 1 6.749 0.020 . 1 . . . . 89 PHE HD1 . 19206 1 895 . 1 1 89 89 PHE HD2 H 1 6.749 0.020 . 1 . . . . 89 PHE HD2 . 19206 1 896 . 1 1 89 89 PHE HE1 H 1 6.572 0.020 . 1 . . . . 89 PHE HE1 . 19206 1 897 . 1 1 89 89 PHE HE2 H 1 6.572 0.020 . 1 . . . . 89 PHE HE2 . 19206 1 898 . 1 1 89 89 PHE HZ H 1 7.056 0.020 . 1 . . . . 89 PHE HZ . 19206 1 899 . 1 1 89 89 PHE C C 13 174.159 0.3 . 1 . . . . 89 PHE C . 19206 1 900 . 1 1 89 89 PHE CA C 13 56.610 0.3 . 1 . . . . 89 PHE CA . 19206 1 901 . 1 1 89 89 PHE CB C 13 40.351 0.3 . 1 . . . . 89 PHE CB . 19206 1 902 . 1 1 89 89 PHE CD1 C 13 131.950 0.3 . 1 . . . . 89 PHE CD1 . 19206 1 903 . 1 1 89 89 PHE CD2 C 13 131.950 0.3 . 1 . . . . 89 PHE CD2 . 19206 1 904 . 1 1 89 89 PHE CE1 C 13 130.678 0.3 . 1 . . . . 89 PHE CE1 . 19206 1 905 . 1 1 89 89 PHE CE2 C 13 130.678 0.3 . 1 . . . . 89 PHE CE2 . 19206 1 906 . 1 1 89 89 PHE CZ C 13 130.382 0.3 . 1 . . . . 89 PHE CZ . 19206 1 907 . 1 1 89 89 PHE N N 15 119.054 0.3 . 1 . . . . 89 PHE N . 19206 1 908 . 1 1 90 90 GLY H H 1 8.746 0.020 . 1 . . . . 90 GLY H . 19206 1 909 . 1 1 90 90 GLY HA2 H 1 4.352 0.020 . 2 . . . . 90 GLY HA2 . 19206 1 910 . 1 1 90 90 GLY HA3 H 1 3.484 0.020 . 2 . . . . 90 GLY HA3 . 19206 1 911 . 1 1 90 90 GLY C C 13 174.018 0.3 . 1 . . . . 90 GLY C . 19206 1 912 . 1 1 90 90 GLY CA C 13 46.604 0.3 . 1 . . . . 90 GLY CA . 19206 1 913 . 1 1 90 90 GLY N N 15 113.600 0.3 . 1 . . . . 90 GLY N . 19206 1 914 . 1 1 91 91 GLY H H 1 7.366 0.020 . 1 . . . . 91 GLY H . 19206 1 915 . 1 1 91 91 GLY HA2 H 1 4.475 0.020 . 2 . . . . 91 GLY HA2 . 19206 1 916 . 1 1 91 91 GLY HA3 H 1 4.376 0.020 . 2 . . . . 91 GLY HA3 . 19206 1 917 . 1 1 91 91 GLY C C 13 175.644 0.3 . 1 . . . . 91 GLY C . 19206 1 918 . 1 1 91 91 GLY CA C 13 45.127 0.3 . 1 . . . . 91 GLY CA . 19206 1 919 . 1 1 91 91 GLY N N 15 112.151 0.3 . 1 . . . . 91 GLY N . 19206 1 920 . 1 1 92 92 SER H H 1 7.998 0.020 . 1 . . . . 92 SER H . 19206 1 921 . 1 1 92 92 SER HA H 1 4.850 0.020 . 1 . . . . 92 SER HA . 19206 1 922 . 1 1 92 92 SER HB2 H 1 3.278 0.020 . 1 . . . . 92 SER HB2 . 19206 1 923 . 1 1 92 92 SER HB3 H 1 3.278 0.020 . 1 . . . . 92 SER HB3 . 19206 1 924 . 1 1 92 92 SER C C 13 176.658 0.3 . 1 . . . . 92 SER C . 19206 1 925 . 1 1 92 92 SER CA C 13 58.857 0.3 . 1 . . . . 92 SER CA . 19206 1 926 . 1 1 92 92 SER CB C 13 63.865 0.3 . 1 . . . . 92 SER CB . 19206 1 927 . 1 1 92 92 SER N N 15 113.164 0.3 . 1 . . . . 92 SER N . 19206 1 928 . 1 1 93 93 SER H H 1 8.349 0.020 . 1 . . . . 93 SER H . 19206 1 929 . 1 1 93 93 SER HA H 1 4.809 0.020 . 1 . . . . 93 SER HA . 19206 1 930 . 1 1 93 93 SER HB2 H 1 3.900 0.020 . 2 . . . . 93 SER HB2 . 19206 1 931 . 1 1 93 93 SER HB3 H 1 3.853 0.020 . 2 . . . . 93 SER HB3 . 19206 1 932 . 1 1 93 93 SER C C 13 172.392 0.3 . 1 . . . . 93 SER C . 19206 1 933 . 1 1 93 93 SER CA C 13 56.363 0.3 . 1 . . . . 93 SER CA . 19206 1 934 . 1 1 93 93 SER CB C 13 62.834 0.3 . 1 . . . . 93 SER CB . 19206 1 935 . 1 1 93 93 SER N N 15 121.598 0.3 . 1 . . . . 93 SER N . 19206 1 936 . 1 1 95 95 ALA H H 1 9.464 0.020 . 1 . . . . 95 ALA H . 19206 1 937 . 1 1 95 95 ALA HA H 1 4.779 0.020 . 1 . . . . 95 ALA HA . 19206 1 938 . 1 1 95 95 ALA HB1 H 1 1.630 0.020 . 1 . . . . 95 ALA HB . 19206 1 939 . 1 1 95 95 ALA HB2 H 1 1.630 0.020 . 1 . . . . 95 ALA HB . 19206 1 940 . 1 1 95 95 ALA HB3 H 1 1.630 0.020 . 1 . . . . 95 ALA HB . 19206 1 941 . 1 1 95 95 ALA C C 13 174.628 0.3 . 1 . . . . 95 ALA C . 19206 1 942 . 1 1 95 95 ALA CA C 13 51.293 0.3 . 1 . . . . 95 ALA CA . 19206 1 943 . 1 1 95 95 ALA CB C 13 23.586 0.3 . 1 . . . . 95 ALA CB . 19206 1 944 . 1 1 95 95 ALA N N 15 127.229 0.3 . 1 . . . . 95 ALA N . 19206 1 945 . 1 1 96 96 VAL H H 1 8.549 0.020 . 1 . . . . 96 VAL H . 19206 1 946 . 1 1 96 96 VAL HA H 1 4.874 0.020 . 1 . . . . 96 VAL HA . 19206 1 947 . 1 1 96 96 VAL HB H 1 1.917 0.020 . 1 . . . . 96 VAL HB . 19206 1 948 . 1 1 96 96 VAL HG11 H 1 0.826 0.020 . 2 . . . . 96 VAL HG1 . 19206 1 949 . 1 1 96 96 VAL HG12 H 1 0.826 0.020 . 2 . . . . 96 VAL HG1 . 19206 1 950 . 1 1 96 96 VAL HG13 H 1 0.826 0.020 . 2 . . . . 96 VAL HG1 . 19206 1 951 . 1 1 96 96 VAL HG21 H 1 0.744 0.020 . 2 . . . . 96 VAL HG2 . 19206 1 952 . 1 1 96 96 VAL HG22 H 1 0.744 0.020 . 2 . . . . 96 VAL HG2 . 19206 1 953 . 1 1 96 96 VAL HG23 H 1 0.744 0.020 . 2 . . . . 96 VAL HG2 . 19206 1 954 . 1 1 96 96 VAL C C 13 175.796 0.3 . 1 . . . . 96 VAL C . 19206 1 955 . 1 1 96 96 VAL CA C 13 61.608 0.3 . 1 . . . . 96 VAL CA . 19206 1 956 . 1 1 96 96 VAL CB C 13 32.833 0.3 . 1 . . . . 96 VAL CB . 19206 1 957 . 1 1 96 96 VAL CG1 C 13 21.395 0.3 . 1 . . . . 96 VAL CG1 . 19206 1 958 . 1 1 96 96 VAL CG2 C 13 21.984 0.3 . 1 . . . . 96 VAL CG2 . 19206 1 959 . 1 1 96 96 VAL N N 15 118.485 0.3 . 1 . . . . 96 VAL N . 19206 1 960 . 1 1 97 97 TYR H H 1 9.062 0.020 . 1 . . . . 97 TYR H . 19206 1 961 . 1 1 97 97 TYR HA H 1 4.850 0.020 . 1 . . . . 97 TYR HA . 19206 1 962 . 1 1 97 97 TYR HB2 H 1 3.134 0.020 . 2 . . . . 97 TYR HB2 . 19206 1 963 . 1 1 97 97 TYR HB3 H 1 2.791 0.020 . 2 . . . . 97 TYR HB3 . 19206 1 964 . 1 1 97 97 TYR HD1 H 1 7.295 0.020 . 1 . . . . 97 TYR HD1 . 19206 1 965 . 1 1 97 97 TYR HD2 H 1 7.295 0.020 . 1 . . . . 97 TYR HD2 . 19206 1 966 . 1 1 97 97 TYR HE1 H 1 6.943 0.020 . 1 . . . . 97 TYR HE1 . 19206 1 967 . 1 1 97 97 TYR HE2 H 1 6.943 0.020 . 1 . . . . 97 TYR HE2 . 19206 1 968 . 1 1 97 97 TYR C C 13 174.627 0.3 . 1 . . . . 97 TYR C . 19206 1 969 . 1 1 97 97 TYR CA C 13 57.364 0.3 . 1 . . . . 97 TYR CA . 19206 1 970 . 1 1 97 97 TYR CB C 13 41.600 0.3 . 1 . . . . 97 TYR CB . 19206 1 971 . 1 1 97 97 TYR CD1 C 13 134.181 0.3 . 1 . . . . 97 TYR CD1 . 19206 1 972 . 1 1 97 97 TYR CD2 C 13 134.181 0.3 . 1 . . . . 97 TYR CD2 . 19206 1 973 . 1 1 97 97 TYR CE1 C 13 118.710 0.3 . 1 . . . . 97 TYR CE1 . 19206 1 974 . 1 1 97 97 TYR CE2 C 13 118.710 0.3 . 1 . . . . 97 TYR CE2 . 19206 1 975 . 1 1 97 97 TYR N N 15 131.928 0.3 . 1 . . . . 97 TYR N . 19206 1 976 . 1 1 98 98 THR H H 1 8.413 0.020 . 1 . . . . 98 THR H . 19206 1 977 . 1 1 98 98 THR HA H 1 5.437 0.020 . 1 . . . . 98 THR HA . 19206 1 978 . 1 1 98 98 THR HB H 1 3.712 0.020 . 1 . . . . 98 THR HB . 19206 1 979 . 1 1 98 98 THR HG21 H 1 0.966 0.020 . 1 . . . . 98 THR HG2 . 19206 1 980 . 1 1 98 98 THR HG22 H 1 0.966 0.020 . 1 . . . . 98 THR HG2 . 19206 1 981 . 1 1 98 98 THR HG23 H 1 0.966 0.020 . 1 . . . . 98 THR HG2 . 19206 1 982 . 1 1 98 98 THR C C 13 172.594 0.3 . 1 . . . . 98 THR C . 19206 1 983 . 1 1 98 98 THR CA C 13 62.364 0.3 . 1 . . . . 98 THR CA . 19206 1 984 . 1 1 98 98 THR CB C 13 71.371 0.3 . 1 . . . . 98 THR CB . 19206 1 985 . 1 1 98 98 THR CG2 C 13 21.184 0.3 . 1 . . . . 98 THR CG2 . 19206 1 986 . 1 1 98 98 THR N N 15 125.450 0.3 . 1 . . . . 98 THR N . 19206 1 987 . 1 1 99 99 LEU H H 1 9.393 0.020 . 1 . . . . 99 LEU H . 19206 1 988 . 1 1 99 99 LEU HA H 1 4.615 0.020 . 1 . . . . 99 LEU HA . 19206 1 989 . 1 1 99 99 LEU HB2 H 1 1.709 0.020 . 2 . . . . 99 LEU HB2 . 19206 1 990 . 1 1 99 99 LEU HB3 H 1 1.229 0.020 . 2 . . . . 99 LEU HB3 . 19206 1 991 . 1 1 99 99 LEU HG H 1 1.200 0.020 . 1 . . . . 99 LEU HG . 19206 1 992 . 1 1 99 99 LEU HD11 H 1 0.861 0.020 . 2 . . . . 99 LEU HD1 . 19206 1 993 . 1 1 99 99 LEU HD12 H 1 0.861 0.020 . 2 . . . . 99 LEU HD1 . 19206 1 994 . 1 1 99 99 LEU HD13 H 1 0.861 0.020 . 2 . . . . 99 LEU HD1 . 19206 1 995 . 1 1 99 99 LEU HD21 H 1 -0.043 0.020 . 2 . . . . 99 LEU HD2 . 19206 1 996 . 1 1 99 99 LEU HD22 H 1 -0.043 0.020 . 2 . . . . 99 LEU HD2 . 19206 1 997 . 1 1 99 99 LEU HD23 H 1 -0.043 0.020 . 2 . . . . 99 LEU HD2 . 19206 1 998 . 1 1 99 99 LEU C C 13 175.034 0.3 . 1 . . . . 99 LEU C . 19206 1 999 . 1 1 99 99 LEU CA C 13 53.359 0.3 . 1 . . . . 99 LEU CA . 19206 1 1000 . 1 1 99 99 LEU CB C 13 42.850 0.3 . 1 . . . . 99 LEU CB . 19206 1 1001 . 1 1 99 99 LEU CG C 13 26.473 0.3 . 1 . . . . 99 LEU CG . 19206 1 1002 . 1 1 99 99 LEU CD1 C 13 22.588 0.3 . 1 . . . . 99 LEU CD1 . 19206 1 1003 . 1 1 99 99 LEU CD2 C 13 25.091 0.3 . 1 . . . . 99 LEU CD2 . 19206 1 1004 . 1 1 99 99 LEU N N 15 127.534 0.3 . 1 . . . . 99 LEU N . 19206 1 1005 . 1 1 100 100 ASN H H 1 8.808 0.020 . 1 . . . . 100 ASN H . 19206 1 1006 . 1 1 100 100 ASN HA H 1 4.821 0.020 . 1 . . . . 100 ASN HA . 19206 1 1007 . 1 1 100 100 ASN HB2 H 1 2.551 0.020 . 2 . . . . 100 ASN HB2 . 19206 1 1008 . 1 1 100 100 ASN HB3 H 1 2.621 0.020 . 2 . . . . 100 ASN HB3 . 19206 1 1009 . 1 1 100 100 ASN C C 13 175.228 0.3 . 1 . . . . 100 ASN C . 19206 1 1010 . 1 1 100 100 ASN CA C 13 52.987 0.3 . 1 . . . . 100 ASN CA . 19206 1 1011 . 1 1 100 100 ASN CB C 13 40.617 0.3 . 1 . . . . 100 ASN CB . 19206 1 1012 . 1 1 100 100 ASN N N 15 121.782 0.3 . 1 . . . . 100 ASN N . 19206 1 1013 . 1 1 101 101 ASN H H 1 8.264 0.020 . 1 . . . . 101 ASN H . 19206 1 1014 . 1 1 101 101 ASN HA H 1 3.858 0.020 . 1 . . . . 101 ASN HA . 19206 1 1015 . 1 1 101 101 ASN HB2 H 1 2.797 0.020 . 2 . . . . 101 ASN HB2 . 19206 1 1016 . 1 1 101 101 ASN HB3 H 1 2.598 0.020 . 2 . . . . 101 ASN HB3 . 19206 1 1017 . 1 1 101 101 ASN C C 13 173.407 0.3 . 1 . . . . 101 ASN C . 19206 1 1018 . 1 1 101 101 ASN CA C 13 54.105 0.3 . 1 . . . . 101 ASN CA . 19206 1 1019 . 1 1 101 101 ASN CB C 13 36.848 0.3 . 1 . . . . 101 ASN CB . 19206 1 1020 . 1 1 101 101 ASN N N 15 116.486 0.3 . 1 . . . . 101 ASN N . 19206 1 1021 . 1 1 102 102 VAL H H 1 8.668 0.020 . 1 . . . . 102 VAL H . 19206 1 1022 . 1 1 102 102 VAL HA H 1 4.105 0.020 . 1 . . . . 102 VAL HA . 19206 1 1023 . 1 1 102 102 VAL HB H 1 2.597 0.020 . 1 . . . . 102 VAL HB . 19206 1 1024 . 1 1 102 102 VAL HG11 H 1 0.779 0.020 . 2 . . . . 102 VAL HG1 . 19206 1 1025 . 1 1 102 102 VAL HG12 H 1 0.779 0.020 . 2 . . . . 102 VAL HG1 . 19206 1 1026 . 1 1 102 102 VAL HG13 H 1 0.779 0.020 . 2 . . . . 102 VAL HG1 . 19206 1 1027 . 1 1 102 102 VAL HG21 H 1 0.861 0.020 . 2 . . . . 102 VAL HG2 . 19206 1 1028 . 1 1 102 102 VAL HG22 H 1 0.861 0.020 . 2 . . . . 102 VAL HG2 . 19206 1 1029 . 1 1 102 102 VAL HG23 H 1 0.861 0.020 . 2 . . . . 102 VAL HG2 . 19206 1 1030 . 1 1 102 102 VAL C C 13 175.642 0.3 . 1 . . . . 102 VAL C . 19206 1 1031 . 1 1 102 102 VAL CA C 13 62.865 0.3 . 1 . . . . 102 VAL CA . 19206 1 1032 . 1 1 102 102 VAL CB C 13 32.093 0.3 . 1 . . . . 102 VAL CB . 19206 1 1033 . 1 1 102 102 VAL CG1 C 13 22.342 0.3 . 1 . . . . 102 VAL CG1 . 19206 1 1034 . 1 1 102 102 VAL CG2 C 13 21.785 0.3 . 1 . . . . 102 VAL CG2 . 19206 1 1035 . 1 1 102 102 VAL N N 15 122.003 0.3 . 1 . . . . 102 VAL N . 19206 1 1036 . 1 1 103 103 SER H H 1 8.780 0.020 . 1 . . . . 103 SER H . 19206 1 1037 . 1 1 103 103 SER HA H 1 5.390 0.020 . 1 . . . . 103 SER HA . 19206 1 1038 . 1 1 103 103 SER HB2 H 1 3.689 0.020 . 1 . . . . 103 SER HB2 . 19206 1 1039 . 1 1 103 103 SER HB3 H 1 3.689 0.020 . 1 . . . . 103 SER HB3 . 19206 1 1040 . 1 1 103 103 SER C C 13 174.219 0.3 . 1 . . . . 103 SER C . 19206 1 1041 . 1 1 103 103 SER CA C 13 57.363 0.3 . 1 . . . . 103 SER CA . 19206 1 1042 . 1 1 103 103 SER CB C 13 64.749 0.3 . 1 . . . . 103 SER CB . 19206 1 1043 . 1 1 103 103 SER N N 15 124.547 0.3 . 1 . . . . 103 SER N . 19206 1 1044 . 1 1 104 104 HIS H H 1 8.422 0.020 . 1 . . . . 104 HIS H . 19206 1 1045 . 1 1 104 104 HIS HA H 1 4.793 0.020 . 1 . . . . 104 HIS HA . 19206 1 1046 . 1 1 104 104 HIS HB2 H 1 3.020 0.020 . 2 . . . . 104 HIS HB2 . 19206 1 1047 . 1 1 104 104 HIS HB3 H 1 2.967 0.020 . 2 . . . . 104 HIS HB3 . 19206 1 1048 . 1 1 104 104 HIS HE1 H 1 8.114 0.020 . 1 . . . . 104 HIS HE1 . 19206 1 1049 . 1 1 104 104 HIS C C 13 173.815 0.3 . 1 . . . . 104 HIS C . 19206 1 1050 . 1 1 104 104 HIS CA C 13 54.858 0.3 . 1 . . . . 104 HIS CA . 19206 1 1051 . 1 1 104 104 HIS CB C 13 30.092 0.3 . 1 . . . . 104 HIS CB . 19206 1 1052 . 1 1 104 104 HIS CE1 C 13 136.939 0.3 . 1 . . . . 104 HIS CE1 . 19206 1 1053 . 1 1 104 104 HIS N N 15 117.330 0.3 . 1 . . . . 104 HIS N . 19206 1 1054 . 1 1 105 105 GLY H H 1 9.024 0.020 . 1 . . . . 105 GLY H . 19206 1 1055 . 1 1 105 105 GLY HA2 H 1 3.827 0.020 . 2 . . . . 105 GLY HA2 . 19206 1 1056 . 1 1 105 105 GLY HA3 H 1 4.340 0.020 . 2 . . . . 105 GLY HA3 . 19206 1 1057 . 1 1 105 105 GLY C C 13 175.236 0.3 . 1 . . . . 105 GLY C . 19206 1 1058 . 1 1 105 105 GLY CA C 13 44.601 0.3 . 1 . . . . 105 GLY CA . 19206 1 1059 . 1 1 105 105 GLY N N 15 106.074 0.3 . 1 . . . . 105 GLY N . 19206 1 1060 . 1 1 106 106 THR H H 1 8.440 0.020 . 1 . . . . 106 THR H . 19206 1 1061 . 1 1 106 106 THR HA H 1 4.610 0.020 . 1 . . . . 106 THR HA . 19206 1 1062 . 1 1 106 106 THR HB H 1 4.322 0.020 . 1 . . . . 106 THR HB . 19206 1 1063 . 1 1 106 106 THR HG21 H 1 0.790 0.020 . 1 . . . . 106 THR HG2 . 19206 1 1064 . 1 1 106 106 THR HG22 H 1 0.790 0.020 . 1 . . . . 106 THR HG2 . 19206 1 1065 . 1 1 106 106 THR HG23 H 1 0.790 0.020 . 1 . . . . 106 THR HG2 . 19206 1 1066 . 1 1 106 106 THR C C 13 176.047 0.3 . 1 . . . . 106 THR C . 19206 1 1067 . 1 1 106 106 THR CA C 13 61.114 0.3 . 1 . . . . 106 THR CA . 19206 1 1068 . 1 1 106 106 THR CB C 13 70.125 0.3 . 1 . . . . 106 THR CB . 19206 1 1069 . 1 1 106 106 THR CG2 C 13 20.019 0.3 . 1 . . . . 106 THR CG2 . 19206 1 1070 . 1 1 106 106 THR N N 15 109.806 0.3 . 1 . . . . 106 THR N . 19206 1 1071 . 1 1 107 107 GLY H H 1 8.861 0.020 . 1 . . . . 107 GLY H . 19206 1 1072 . 1 1 107 107 GLY HA2 H 1 3.325 0.020 . 2 . . . . 107 GLY HA2 . 19206 1 1073 . 1 1 107 107 GLY HA3 H 1 4.199 0.020 . 2 . . . . 107 GLY HA3 . 19206 1 1074 . 1 1 107 107 GLY C C 13 174.625 0.3 . 1 . . . . 107 GLY C . 19206 1 1075 . 1 1 107 107 GLY CA C 13 44.854 0.3 . 1 . . . . 107 GLY CA . 19206 1 1076 . 1 1 107 107 GLY N N 15 107.811 0.3 . 1 . . . . 107 GLY N . 19206 1 1077 . 1 1 108 108 ASN H H 1 8.723 0.020 . 1 . . . . 108 ASN H . 19206 1 1078 . 1 1 108 108 ASN HA H 1 4.792 0.020 . 1 . . . . 108 ASN HA . 19206 1 1079 . 1 1 108 108 ASN HB2 H 1 2.680 0.020 . 2 . . . . 108 ASN HB2 . 19206 1 1080 . 1 1 108 108 ASN HB3 H 1 2.170 0.020 . 2 . . . . 108 ASN HB3 . 19206 1 1081 . 1 1 108 108 ASN C C 13 176.049 0.3 . 1 . . . . 108 ASN C . 19206 1 1082 . 1 1 108 108 ASN CA C 13 53.859 0.3 . 1 . . . . 108 ASN CA . 19206 1 1083 . 1 1 108 108 ASN CB C 13 38.342 0.3 . 1 . . . . 108 ASN CB . 19206 1 1084 . 1 1 108 108 ASN N N 15 121.128 0.3 . 1 . . . . 108 ASN N . 19206 1 1085 . 1 1 109 109 GLN H H 1 8.900 0.020 . 1 . . . . 109 GLN H . 19206 1 1086 . 1 1 109 109 GLN HA H 1 4.416 0.020 . 1 . . . . 109 GLN HA . 19206 1 1087 . 1 1 109 109 GLN HB2 H 1 2.069 0.020 . 2 . . . . 109 GLN HB2 . 19206 1 1088 . 1 1 109 109 GLN HB3 H 1 1.734 0.020 . 2 . . . . 109 GLN HB3 . 19206 1 1089 . 1 1 109 109 GLN C C 13 174.017 0.3 . 1 . . . . 109 GLN C . 19206 1 1090 . 1 1 109 109 GLN CA C 13 53.591 0.3 . 1 . . . . 109 GLN CA . 19206 1 1091 . 1 1 109 109 GLN CB C 13 31.342 0.3 . 1 . . . . 109 GLN CB . 19206 1 1092 . 1 1 109 109 GLN CG C 13 32.177 0.3 . 1 . . . . 109 GLN CG . 19206 1 1093 . 1 1 109 109 GLN N N 15 123.400 0.3 . 1 . . . . 109 GLN N . 19206 1 1094 . 1 1 110 110 GLU H H 1 8.964 0.020 . 1 . . . . 110 GLU H . 19206 1 1095 . 1 1 110 110 GLU HA H 1 4.368 0.020 . 1 . . . . 110 GLU HA . 19206 1 1096 . 1 1 110 110 GLU HB2 H 1 1.899 0.020 . 2 . . . . 110 GLU HB2 . 19206 1 1097 . 1 1 110 110 GLU HB3 H 1 1.834 0.020 . 2 . . . . 110 GLU HB3 . 19206 1 1098 . 1 1 110 110 GLU HG2 H 1 1.755 0.020 . 2 . . . . 110 GLU HG2 . 19206 1 1099 . 1 1 110 110 GLU HG3 H 1 1.912 0.020 . 2 . . . . 110 GLU HG3 . 19206 1 1100 . 1 1 110 110 GLU C C 13 175.438 0.3 . 1 . . . . 110 GLU C . 19206 1 1101 . 1 1 110 110 GLU CA C 13 56.857 0.3 . 1 . . . . 110 GLU CA . 19206 1 1102 . 1 1 110 110 GLU CB C 13 30.713 0.3 . 1 . . . . 110 GLU CB . 19206 1 1103 . 1 1 110 110 GLU CG C 13 37.451 0.3 . 1 . . . . 110 GLU CG . 19206 1 1104 . 1 1 110 110 GLU N N 15 123.827 0.3 . 1 . . . . 110 GLU N . 19206 1 1105 . 1 1 111 111 ILE H H 1 9.297 0.020 . 1 . . . . 111 ILE H . 19206 1 1106 . 1 1 111 111 ILE HA H 1 4.698 0.020 . 1 . . . . 111 ILE HA . 19206 1 1107 . 1 1 111 111 ILE HB H 1 1.659 0.020 . 1 . . . . 111 ILE HB . 19206 1 1108 . 1 1 111 111 ILE HG12 H 1 1.459 0.020 . 1 . . . . 111 ILE HG12 . 19206 1 1109 . 1 1 111 111 ILE HG13 H 1 1.459 0.020 . 1 . . . . 111 ILE HG13 . 19206 1 1110 . 1 1 111 111 ILE HG21 H 1 0.785 0.020 . 1 . . . . 111 ILE HG2 . 19206 1 1111 . 1 1 111 111 ILE HG22 H 1 0.785 0.020 . 1 . . . . 111 ILE HG2 . 19206 1 1112 . 1 1 111 111 ILE HG23 H 1 0.785 0.020 . 1 . . . . 111 ILE HG2 . 19206 1 1113 . 1 1 111 111 ILE HD11 H 1 0.855 0.020 . 1 . . . . 111 ILE HD1 . 19206 1 1114 . 1 1 111 111 ILE HD12 H 1 0.855 0.020 . 1 . . . . 111 ILE HD1 . 19206 1 1115 . 1 1 111 111 ILE HD13 H 1 0.855 0.020 . 1 . . . . 111 ILE HD1 . 19206 1 1116 . 1 1 111 111 ILE C C 13 173.508 0.3 . 1 . . . . 111 ILE C . 19206 1 1117 . 1 1 111 111 ILE CA C 13 60.112 0.3 . 1 . . . . 111 ILE CA . 19206 1 1118 . 1 1 111 111 ILE CB C 13 38.104 0.3 . 1 . . . . 111 ILE CB . 19206 1 1119 . 1 1 111 111 ILE CG1 C 13 27.798 0.3 . 1 . . . . 111 ILE CG1 . 19206 1 1120 . 1 1 111 111 ILE CG2 C 13 16.496 0.3 . 1 . . . . 111 ILE CG2 . 19206 1 1121 . 1 1 111 111 ILE CD1 C 13 13.567 0.3 . 1 . . . . 111 ILE CD1 . 19206 1 1122 . 1 1 111 111 ILE N N 15 132.005 0.3 . 1 . . . . 111 ILE N . 19206 1 1123 . 1 1 112 112 GLU H H 1 9.174 0.020 . 1 . . . . 112 GLU H . 19206 1 1124 . 1 1 112 112 GLU HA H 1 5.301 0.020 . 1 . . . . 112 GLU HA . 19206 1 1125 . 1 1 112 112 GLU HB2 H 1 1.918 0.020 . 2 . . . . 112 GLU HB2 . 19206 1 1126 . 1 1 112 112 GLU HB3 H 1 1.577 0.020 . 2 . . . . 112 GLU HB3 . 19206 1 1127 . 1 1 112 112 GLU HG2 H 1 2.110 0.020 . 1 . . . . 112 GLU HG2 . 19206 1 1128 . 1 1 112 112 GLU HG3 H 1 2.110 0.020 . 1 . . . . 112 GLU HG3 . 19206 1 1129 . 1 1 112 112 GLU C C 13 173.404 0.3 . 1 . . . . 112 GLU C . 19206 1 1130 . 1 1 112 112 GLU CA C 13 54.110 0.3 . 1 . . . . 112 GLU CA . 19206 1 1131 . 1 1 112 112 GLU CB C 13 34.343 0.3 . 1 . . . . 112 GLU CB . 19206 1 1132 . 1 1 112 112 GLU CG C 13 36.995 0.3 . 1 . . . . 112 GLU CG . 19206 1 1133 . 1 1 112 112 GLU N N 15 126.919 0.3 . 1 . . . . 112 GLU N . 19206 1 1134 . 1 1 113 113 LEU H H 1 8.986 0.020 . 1 . . . . 113 LEU H . 19206 1 1135 . 1 1 113 113 LEU HA H 1 5.566 0.020 . 1 . . . . 113 LEU HA . 19206 1 1136 . 1 1 113 113 LEU HB2 H 1 2.004 0.020 . 2 . . . . 113 LEU HB2 . 19206 1 1137 . 1 1 113 113 LEU HB3 H 1 0.954 0.020 . 2 . . . . 113 LEU HB3 . 19206 1 1138 . 1 1 113 113 LEU HG H 1 1.647 0.020 . 1 . . . . 113 LEU HG . 19206 1 1139 . 1 1 113 113 LEU HD11 H 1 0.814 0.020 . 2 . . . . 113 LEU HD1 . 19206 1 1140 . 1 1 113 113 LEU HD12 H 1 0.814 0.020 . 2 . . . . 113 LEU HD1 . 19206 1 1141 . 1 1 113 113 LEU HD13 H 1 0.814 0.020 . 2 . . . . 113 LEU HD1 . 19206 1 1142 . 1 1 113 113 LEU HD21 H 1 1.013 0.020 . 2 . . . . 113 LEU HD2 . 19206 1 1143 . 1 1 113 113 LEU HD22 H 1 1.013 0.020 . 2 . . . . 113 LEU HD2 . 19206 1 1144 . 1 1 113 113 LEU HD23 H 1 1.013 0.020 . 2 . . . . 113 LEU HD2 . 19206 1 1145 . 1 1 113 113 LEU C C 13 174.425 0.3 . 1 . . . . 113 LEU C . 19206 1 1146 . 1 1 113 113 LEU CA C 13 52.687 0.3 . 1 . . . . 113 LEU CA . 19206 1 1147 . 1 1 113 113 LEU CB C 13 41.594 0.3 . 1 . . . . 113 LEU CB . 19206 1 1148 . 1 1 113 113 LEU CG C 13 26.461 0.3 . 1 . . . . 113 LEU CG . 19206 1 1149 . 1 1 113 113 LEU CD1 C 13 26.671 0.3 . 1 . . . . 113 LEU CD1 . 19206 1 1150 . 1 1 113 113 LEU CD2 C 13 25.511 0.3 . 1 . . . . 113 LEU CD2 . 19206 1 1151 . 1 1 113 113 LEU N N 15 127.364 0.3 . 1 . . . . 113 LEU N . 19206 1 1152 . 1 1 114 114 ILE H H 1 8.758 0.020 . 1 . . . . 114 ILE H . 19206 1 1153 . 1 1 114 114 ILE HA H 1 5.214 0.020 . 1 . . . . 114 ILE HA . 19206 1 1154 . 1 1 114 114 ILE HB H 1 1.446 0.020 . 1 . . . . 114 ILE HB . 19206 1 1155 . 1 1 114 114 ILE HG12 H 1 1.434 0.020 . 1 . . . . 114 ILE HG12 . 19206 1 1156 . 1 1 114 114 ILE HG13 H 1 1.434 0.020 . 1 . . . . 114 ILE HG13 . 19206 1 1157 . 1 1 114 114 ILE HG21 H 1 0.855 0.020 . 1 . . . . 114 ILE HG2 . 19206 1 1158 . 1 1 114 114 ILE HG22 H 1 0.855 0.020 . 1 . . . . 114 ILE HG2 . 19206 1 1159 . 1 1 114 114 ILE HG23 H 1 0.855 0.020 . 1 . . . . 114 ILE HG2 . 19206 1 1160 . 1 1 114 114 ILE HD11 H 1 0.791 0.020 . 1 . . . . 114 ILE HD1 . 19206 1 1161 . 1 1 114 114 ILE HD12 H 1 0.791 0.020 . 1 . . . . 114 ILE HD1 . 19206 1 1162 . 1 1 114 114 ILE HD13 H 1 0.791 0.020 . 1 . . . . 114 ILE HD1 . 19206 1 1163 . 1 1 114 114 ILE C C 13 173.405 0.3 . 1 . . . . 114 ILE C . 19206 1 1164 . 1 1 114 114 ILE CA C 13 58.110 0.3 . 1 . . . . 114 ILE CA . 19206 1 1165 . 1 1 114 114 ILE CB C 13 44.599 0.3 . 1 . . . . 114 ILE CB . 19206 1 1166 . 1 1 114 114 ILE CG1 C 13 28.079 0.3 . 1 . . . . 114 ILE CG1 . 19206 1 1167 . 1 1 114 114 ILE CG2 C 13 14.368 0.3 . 1 . . . . 114 ILE CG2 . 19206 1 1168 . 1 1 114 114 ILE CD1 C 13 13.820 0.3 . 1 . . . . 114 ILE CD1 . 19206 1 1169 . 1 1 114 114 ILE N N 15 119.599 0.3 . 1 . . . . 114 ILE N . 19206 1 1170 . 1 1 115 115 VAL H H 1 7.880 0.020 . 1 . . . . 115 VAL H . 19206 1 1171 . 1 1 115 115 VAL HA H 1 4.487 0.020 . 1 . . . . 115 VAL HA . 19206 1 1172 . 1 1 115 115 VAL HB H 1 2.221 0.020 . 1 . . . . 115 VAL HB . 19206 1 1173 . 1 1 115 115 VAL HG11 H 1 1.348 0.020 . 2 . . . . 115 VAL HG1 . 19206 1 1174 . 1 1 115 115 VAL HG12 H 1 1.348 0.020 . 2 . . . . 115 VAL HG1 . 19206 1 1175 . 1 1 115 115 VAL HG13 H 1 1.348 0.020 . 2 . . . . 115 VAL HG1 . 19206 1 1176 . 1 1 115 115 VAL HG21 H 1 1.095 0.020 . 2 . . . . 115 VAL HG2 . 19206 1 1177 . 1 1 115 115 VAL HG22 H 1 1.095 0.020 . 2 . . . . 115 VAL HG2 . 19206 1 1178 . 1 1 115 115 VAL HG23 H 1 1.095 0.020 . 2 . . . . 115 VAL HG2 . 19206 1 1179 . 1 1 115 115 VAL C C 13 174.829 0.3 . 1 . . . . 115 VAL C . 19206 1 1180 . 1 1 115 115 VAL CA C 13 62.861 0.3 . 1 . . . . 115 VAL CA . 19206 1 1181 . 1 1 115 115 VAL CB C 13 32.599 0.3 . 1 . . . . 115 VAL CB . 19206 1 1182 . 1 1 115 115 VAL CG1 C 13 25.289 0.3 . 1 . . . . 115 VAL CG1 . 19206 1 1183 . 1 1 115 115 VAL CG2 C 13 22.940 0.3 . 1 . . . . 115 VAL CG2 . 19206 1 1184 . 1 1 115 115 VAL N N 15 127.230 0.3 . 1 . . . . 115 VAL N . 19206 1 1185 . 1 1 116 116 THR H H 1 9.280 0.020 . 1 . . . . 116 THR H . 19206 1 1186 . 1 1 116 116 THR HA H 1 4.498 0.020 . 1 . . . . 116 THR HA . 19206 1 1187 . 1 1 116 116 THR HB H 1 4.275 0.020 . 1 . . . . 116 THR HB . 19206 1 1188 . 1 1 116 116 THR HG21 H 1 1.107 0.020 . 1 . . . . 116 THR HG2 . 19206 1 1189 . 1 1 116 116 THR HG22 H 1 1.107 0.020 . 1 . . . . 116 THR HG2 . 19206 1 1190 . 1 1 116 116 THR HG23 H 1 1.107 0.020 . 1 . . . . 116 THR HG2 . 19206 1 1191 . 1 1 116 116 THR C C 13 175.643 0.3 . 1 . . . . 116 THR C . 19206 1 1192 . 1 1 116 116 THR CA C 13 61.364 0.3 . 1 . . . . 116 THR CA . 19206 1 1193 . 1 1 116 116 THR CB C 13 71.120 0.3 . 1 . . . . 116 THR CB . 19206 1 1194 . 1 1 116 116 THR CG2 C 13 21.768 0.3 . 1 . . . . 116 THR CG2 . 19206 1 1195 . 1 1 116 116 THR N N 15 117.020 0.3 . 1 . . . . 116 THR N . 19206 1 1196 . 1 1 117 117 ALA H H 1 8.039 0.020 . 1 . . . . 117 ALA H . 19206 1 1197 . 1 1 117 117 ALA HA H 1 4.827 0.020 . 1 . . . . 117 ALA HA . 19206 1 1198 . 1 1 117 117 ALA HB1 H 1 1.471 0.020 . 1 . . . . 117 ALA HB . 19206 1 1199 . 1 1 117 117 ALA HB2 H 1 1.471 0.020 . 1 . . . . 117 ALA HB . 19206 1 1200 . 1 1 117 117 ALA HB3 H 1 1.471 0.020 . 1 . . . . 117 ALA HB . 19206 1 1201 . 1 1 117 117 ALA C C 13 176.864 0.3 . 1 . . . . 117 ALA C . 19206 1 1202 . 1 1 117 117 ALA CA C 13 50.607 0.3 . 1 . . . . 117 ALA CA . 19206 1 1203 . 1 1 117 117 ALA CB C 13 19.832 0.3 . 1 . . . . 117 ALA CB . 19206 1 1204 . 1 1 117 117 ALA N N 15 126.244 0.3 . 1 . . . . 117 ALA N . 19206 1 1205 . 1 1 118 118 ASP H H 1 9.302 0.020 . 1 . . . . 118 ASP H . 19206 1 1206 . 1 1 118 118 ASP HA H 1 3.472 0.020 . 1 . . . . 118 ASP HA . 19206 1 1207 . 1 1 118 118 ASP HB2 H 1 1.782 0.020 . 2 . . . . 118 ASP HB2 . 19206 1 1208 . 1 1 118 118 ASP HB3 H 1 2.134 0.020 . 2 . . . . 118 ASP HB3 . 19206 1 1209 . 1 1 118 118 ASP C C 13 175.844 0.3 . 1 . . . . 118 ASP C . 19206 1 1210 . 1 1 118 118 ASP CA C 13 55.612 0.3 . 1 . . . . 118 ASP CA . 19206 1 1211 . 1 1 118 118 ASP CB C 13 42.345 0.3 . 1 . . . . 118 ASP CB . 19206 1 1212 . 1 1 118 118 ASP N N 15 123.492 0.3 . 1 . . . . 118 ASP N . 19206 1 1213 . 1 1 119 119 ASP H H 1 8.803 0.020 . 1 . . . . 119 ASP H . 19206 1 1214 . 1 1 119 119 ASP HA H 1 4.493 0.020 . 1 . . . . 119 ASP HA . 19206 1 1215 . 1 1 119 119 ASP HB2 H 1 2.979 0.020 . 2 . . . . 119 ASP HB2 . 19206 1 1216 . 1 1 119 119 ASP HB3 H 1 2.340 0.020 . 2 . . . . 119 ASP HB3 . 19206 1 1217 . 1 1 119 119 ASP C C 13 176.861 0.3 . 1 . . . . 119 ASP C . 19206 1 1218 . 1 1 119 119 ASP CA C 13 52.108 0.3 . 1 . . . . 119 ASP CA . 19206 1 1219 . 1 1 119 119 ASP CB C 13 41.091 0.3 . 1 . . . . 119 ASP CB . 19206 1 1220 . 1 1 119 119 ASP N N 15 126.168 0.3 . 1 . . . . 119 ASP N . 19206 1 1221 . 1 1 120 120 GLY H H 1 7.677 0.020 . 1 . . . . 120 GLY H . 19206 1 1222 . 1 1 120 120 GLY HA2 H 1 3.927 0.020 . 2 . . . . 120 GLY HA2 . 19206 1 1223 . 1 1 120 120 GLY HA3 H 1 4.106 0.020 . 2 . . . . 120 GLY HA3 . 19206 1 1224 . 1 1 120 120 GLY C C 13 175.845 0.3 . 1 . . . . 120 GLY C . 19206 1 1225 . 1 1 120 120 GLY CA C 13 45.605 0.3 . 1 . . . . 120 GLY CA . 19206 1 1226 . 1 1 120 120 GLY N N 15 106.397 0.3 . 1 . . . . 120 GLY N . 19206 1 1227 . 1 1 121 121 THR H H 1 8.080 0.020 . 1 . . . . 121 THR H . 19206 1 1228 . 1 1 121 121 THR HA H 1 4.515 0.020 . 1 . . . . 121 THR HA . 19206 1 1229 . 1 1 121 121 THR HB H 1 4.352 0.020 . 1 . . . . 121 THR HB . 19206 1 1230 . 1 1 121 121 THR HG21 H 1 0.989 0.020 . 1 . . . . 121 THR HG2 . 19206 1 1231 . 1 1 121 121 THR HG22 H 1 0.989 0.020 . 1 . . . . 121 THR HG2 . 19206 1 1232 . 1 1 121 121 THR HG23 H 1 0.989 0.020 . 1 . . . . 121 THR HG2 . 19206 1 1233 . 1 1 121 121 THR C C 13 173.813 0.3 . 1 . . . . 121 THR C . 19206 1 1234 . 1 1 121 121 THR CA C 13 62.114 0.3 . 1 . . . . 121 THR CA . 19206 1 1235 . 1 1 121 121 THR CB C 13 70.370 0.3 . 1 . . . . 121 THR CB . 19206 1 1236 . 1 1 121 121 THR CG2 C 13 20.600 0.3 . 1 . . . . 121 THR CG2 . 19206 1 1237 . 1 1 121 121 THR N N 15 109.546 0.3 . 1 . . . . 121 THR N . 19206 1 1238 . 1 1 122 122 TRP H H 1 7.505 0.020 . 1 . . . . 122 TRP H . 19206 1 1239 . 1 1 122 122 TRP HA H 1 5.155 0.020 . 1 . . . . 122 TRP HA . 19206 1 1240 . 1 1 122 122 TRP HB2 H 1 3.647 0.020 . 2 . . . . 122 TRP HB2 . 19206 1 1241 . 1 1 122 122 TRP HB3 H 1 3.419 0.020 . 2 . . . . 122 TRP HB3 . 19206 1 1242 . 1 1 122 122 TRP HD1 H 1 7.023 0.020 . 1 . . . . 122 TRP HD1 . 19206 1 1243 . 1 1 122 122 TRP HE3 H 1 7.079 0.020 . 1 . . . . 122 TRP HE3 . 19206 1 1244 . 1 1 122 122 TRP HZ2 H 1 7.301 0.020 . 1 . . . . 122 TRP HZ2 . 19206 1 1245 . 1 1 122 122 TRP HZ3 H 1 6.832 0.020 . 1 . . . . 122 TRP HZ3 . 19206 1 1246 . 1 1 122 122 TRP HH2 H 1 7.454 0.020 . 1 . . . . 122 TRP HH2 . 19206 1 1247 . 1 1 122 122 TRP C C 13 175.641 0.3 . 1 . . . . 122 TRP C . 19206 1 1248 . 1 1 122 122 TRP CA C 13 57.107 0.3 . 1 . . . . 122 TRP CA . 19206 1 1249 . 1 1 122 122 TRP CB C 13 30.847 0.3 . 1 . . . . 122 TRP CB . 19206 1 1250 . 1 1 122 122 TRP CD1 C 13 126.738 0.3 . 1 . . . . 122 TRP CD1 . 19206 1 1251 . 1 1 122 122 TRP CE3 C 13 122.614 0.3 . 1 . . . . 122 TRP CE3 . 19206 1 1252 . 1 1 122 122 TRP CZ2 C 13 114.743 0.3 . 1 . . . . 122 TRP CZ2 . 19206 1 1253 . 1 1 122 122 TRP CZ3 C 13 121.652 0.3 . 1 . . . . 122 TRP CZ3 . 19206 1 1254 . 1 1 122 122 TRP CH2 C 13 123.905 0.3 . 1 . . . . 122 TRP CH2 . 19206 1 1255 . 1 1 122 122 TRP N N 15 119.709 0.3 . 1 . . . . 122 TRP N . 19206 1 1256 . 1 1 123 123 ASP H H 1 8.898 0.020 . 1 . . . . 123 ASP H . 19206 1 1257 . 1 1 123 123 ASP HA H 1 5.326 0.020 . 1 . . . . 123 ASP HA . 19206 1 1258 . 1 1 123 123 ASP HB2 H 1 2.222 0.020 . 2 . . . . 123 ASP HB2 . 19206 1 1259 . 1 1 123 123 ASP HB3 H 1 1.776 0.020 . 2 . . . . 123 ASP HB3 . 19206 1 1260 . 1 1 123 123 ASP C C 13 172.188 0.3 . 1 . . . . 123 ASP C . 19206 1 1261 . 1 1 123 123 ASP CA C 13 53.598 0.3 . 1 . . . . 123 ASP CA . 19206 1 1262 . 1 1 123 123 ASP CB C 13 44.840 0.3 . 1 . . . . 123 ASP CB . 19206 1 1263 . 1 1 123 123 ASP N N 15 122.857 0.3 . 1 . . . . 123 ASP N . 19206 1 1264 . 1 1 124 124 ALA H H 1 8.137 0.020 . 1 . . . . 124 ALA H . 19206 1 1265 . 1 1 124 124 ALA HA H 1 4.692 0.020 . 1 . . . . 124 ALA HA . 19206 1 1266 . 1 1 124 124 ALA HB1 H 1 1.213 0.020 . 1 . . . . 124 ALA HB . 19206 1 1267 . 1 1 124 124 ALA HB2 H 1 1.213 0.020 . 1 . . . . 124 ALA HB . 19206 1 1268 . 1 1 124 124 ALA HB3 H 1 1.213 0.020 . 1 . . . . 124 ALA HB . 19206 1 1269 . 1 1 124 124 ALA C C 13 174.423 0.3 . 1 . . . . 124 ALA C . 19206 1 1270 . 1 1 124 124 ALA CA C 13 50.106 0.3 . 1 . . . . 124 ALA CA . 19206 1 1271 . 1 1 124 124 ALA CB C 13 21.709 0.3 . 1 . . . . 124 ALA CB . 19206 1 1272 . 1 1 124 124 ALA N N 15 119.092 0.3 . 1 . . . . 124 ALA N . 19206 1 1273 . 1 1 125 125 TYR H H 1 8.821 0.020 . 1 . . . . 125 TYR H . 19206 1 1274 . 1 1 125 125 TYR HA H 1 5.572 0.020 . 1 . . . . 125 TYR HA . 19206 1 1275 . 1 1 125 125 TYR HB2 H 1 2.841 0.020 . 2 . . . . 125 TYR HB2 . 19206 1 1276 . 1 1 125 125 TYR HB3 H 1 2.656 0.020 . 2 . . . . 125 TYR HB3 . 19206 1 1277 . 1 1 125 125 TYR HD1 H 1 6.940 0.020 . 1 . . . . 125 TYR HD1 . 19206 1 1278 . 1 1 125 125 TYR HD2 H 1 6.940 0.020 . 1 . . . . 125 TYR HD2 . 19206 1 1279 . 1 1 125 125 TYR C C 13 175.642 0.3 . 1 . . . . 125 TYR C . 19206 1 1280 . 1 1 125 125 TYR CA C 13 51.611 0.3 . 1 . . . . 125 TYR CA . 19206 1 1281 . 1 1 125 125 TYR CB C 13 38.336 0.3 . 1 . . . . 125 TYR CB . 19206 1 1282 . 1 1 125 125 TYR CD1 C 13 132.401 0.3 . 1 . . . . 125 TYR CD1 . 19206 1 1283 . 1 1 125 125 TYR CD2 C 13 132.401 0.3 . 1 . . . . 125 TYR CD2 . 19206 1 1284 . 1 1 125 125 TYR N N 15 122.830 0.3 . 1 . . . . 125 TYR N . 19206 1 1285 . 1 1 126 126 ILE H H 1 9.424 0.020 . 1 . . . . 126 ILE H . 19206 1 1286 . 1 1 126 126 ILE HA H 1 4.451 0.020 . 1 . . . . 126 ILE HA . 19206 1 1287 . 1 1 126 126 ILE HB H 1 1.426 0.020 . 1 . . . . 126 ILE HB . 19206 1 1288 . 1 1 126 126 ILE HG12 H 1 1.395 0.020 . 2 . . . . 126 ILE HG12 . 19206 1 1289 . 1 1 126 126 ILE HG13 H 1 0.890 0.020 . 2 . . . . 126 ILE HG13 . 19206 1 1290 . 1 1 126 126 ILE HG21 H 1 0.591 0.020 . 1 . . . . 126 ILE HG2 . 19206 1 1291 . 1 1 126 126 ILE HG22 H 1 0.591 0.020 . 1 . . . . 126 ILE HG2 . 19206 1 1292 . 1 1 126 126 ILE HG23 H 1 0.591 0.020 . 1 . . . . 126 ILE HG2 . 19206 1 1293 . 1 1 126 126 ILE HD11 H 1 0.661 0.020 . 1 . . . . 126 ILE HD1 . 19206 1 1294 . 1 1 126 126 ILE HD12 H 1 0.661 0.020 . 1 . . . . 126 ILE HD1 . 19206 1 1295 . 1 1 126 126 ILE HD13 H 1 0.661 0.020 . 1 . . . . 126 ILE HD1 . 19206 1 1296 . 1 1 126 126 ILE C C 13 173.611 0.3 . 1 . . . . 126 ILE C . 19206 1 1297 . 1 1 126 126 ILE CA C 13 60.113 0.3 . 1 . . . . 126 ILE CA . 19206 1 1298 . 1 1 126 126 ILE CB C 13 41.490 0.3 . 1 . . . . 126 ILE CB . 19206 1 1299 . 1 1 126 126 ILE CG1 C 13 25.868 0.3 . 1 . . . . 126 ILE CG1 . 19206 1 1300 . 1 1 126 126 ILE CG2 C 13 18.845 0.3 . 1 . . . . 126 ILE CG2 . 19206 1 1301 . 1 1 126 126 ILE CD1 C 13 14.752 0.3 . 1 . . . . 126 ILE CD1 . 19206 1 1302 . 1 1 126 126 ILE N N 15 117.087 0.3 . 1 . . . . 126 ILE N . 19206 1 1303 . 1 1 127 127 ASP H H 1 8.660 0.020 . 1 . . . . 127 ASP H . 19206 1 1304 . 1 1 127 127 ASP HA H 1 4.217 0.020 . 1 . . . . 127 ASP HA . 19206 1 1305 . 1 1 127 127 ASP C C 13 179.503 0.3 . 1 . . . . 127 ASP C . 19206 1 1306 . 1 1 127 127 ASP CA C 13 55.860 0.3 . 1 . . . . 127 ASP CA . 19206 1 1307 . 1 1 127 127 ASP CB C 13 41.411 0.3 . 1 . . . . 127 ASP CB . 19206 1 1308 . 1 1 127 127 ASP N N 15 125.054 0.3 . 1 . . . . 127 ASP N . 19206 1 1309 . 1 1 128 128 TYR H H 1 6.779 0.020 . 1 . . . . 128 TYR H . 19206 1 1310 . 1 1 128 128 TYR HA H 1 4.786 0.020 . 1 . . . . 128 TYR HA . 19206 1 1311 . 1 1 128 128 TYR HB2 H 1 2.433 0.020 . 2 . . . . 128 TYR HB2 . 19206 1 1312 . 1 1 128 128 TYR HB3 H 1 3.413 0.020 . 2 . . . . 128 TYR HB3 . 19206 1 1313 . 1 1 128 128 TYR HD1 H 1 6.644 0.020 . 1 . . . . 128 TYR HD1 . 19206 1 1314 . 1 1 128 128 TYR HD2 H 1 6.644 0.020 . 1 . . . . 128 TYR HD2 . 19206 1 1315 . 1 1 128 128 TYR HE1 H 1 6.375 0.020 . 1 . . . . 128 TYR HE1 . 19206 1 1316 . 1 1 128 128 TYR HE2 H 1 6.375 0.020 . 1 . . . . 128 TYR HE2 . 19206 1 1317 . 1 1 128 128 TYR C C 13 170.161 0.3 . 1 . . . . 128 TYR C . 19206 1 1318 . 1 1 128 128 TYR CA C 13 56.355 0.3 . 1 . . . . 128 TYR CA . 19206 1 1319 . 1 1 128 128 TYR CB C 13 38.787 0.3 . 1 . . . . 128 TYR CB . 19206 1 1320 . 1 1 128 128 TYR CD1 C 13 133.829 0.3 . 1 . . . . 128 TYR CD1 . 19206 1 1321 . 1 1 128 128 TYR CD2 C 13 133.829 0.3 . 1 . . . . 128 TYR CD2 . 19206 1 1322 . 1 1 128 128 TYR CE1 C 13 117.264 0.3 . 1 . . . . 128 TYR CE1 . 19206 1 1323 . 1 1 128 128 TYR CE2 C 13 117.264 0.3 . 1 . . . . 128 TYR CE2 . 19206 1 1324 . 1 1 128 128 TYR N N 15 113.757 0.3 . 1 . . . . 128 TYR N . 19206 1 1325 . 1 1 129 129 LEU H H 1 8.987 0.020 . 1 . . . . 129 LEU H . 19206 1 1326 . 1 1 129 129 LEU HA H 1 5.249 0.020 . 1 . . . . 129 LEU HA . 19206 1 1327 . 1 1 129 129 LEU HB2 H 1 1.779 0.020 . 2 . . . . 129 LEU HB2 . 19206 1 1328 . 1 1 129 129 LEU HB3 H 1 1.101 0.020 . 2 . . . . 129 LEU HB3 . 19206 1 1329 . 1 1 129 129 LEU HG H 1 1.171 0.020 . 1 . . . . 129 LEU HG . 19206 1 1330 . 1 1 129 129 LEU HD11 H 1 1.149 0.020 . 2 . . . . 129 LEU HD1 . 19206 1 1331 . 1 1 129 129 LEU HD12 H 1 1.149 0.020 . 2 . . . . 129 LEU HD1 . 19206 1 1332 . 1 1 129 129 LEU HD13 H 1 1.149 0.020 . 2 . . . . 129 LEU HD1 . 19206 1 1333 . 1 1 129 129 LEU HD21 H 1 1.154 0.020 . 2 . . . . 129 LEU HD2 . 19206 1 1334 . 1 1 129 129 LEU HD22 H 1 1.154 0.020 . 2 . . . . 129 LEU HD2 . 19206 1 1335 . 1 1 129 129 LEU HD23 H 1 1.154 0.020 . 2 . . . . 129 LEU HD2 . 19206 1 1336 . 1 1 129 129 LEU C C 13 174.016 0.3 . 1 . . . . 129 LEU C . 19206 1 1337 . 1 1 129 129 LEU CA C 13 53.108 0.3 . 1 . . . . 129 LEU CA . 19206 1 1338 . 1 1 129 129 LEU CB C 13 47.104 0.3 . 1 . . . . 129 LEU CB . 19206 1 1339 . 1 1 129 129 LEU CG C 13 27.481 0.3 . 1 . . . . 129 LEU CG . 19206 1 1340 . 1 1 129 129 LEU CD1 C 13 24.120 0.3 . 1 . . . . 129 LEU CD1 . 19206 1 1341 . 1 1 129 129 LEU CD2 C 13 23.672 0.3 . 1 . . . . 129 LEU CD2 . 19206 1 1342 . 1 1 129 129 LEU N N 15 121.659 0.3 . 1 . . . . 129 LEU N . 19206 1 1343 . 1 1 130 130 GLU H H 1 10.118 0.020 . 1 . . . . 130 GLU H . 19206 1 1344 . 1 1 130 130 GLU HA H 1 5.599 0.020 . 1 . . . . 130 GLU HA . 19206 1 1345 . 1 1 130 130 GLU HB2 H 1 1.905 0.020 . 2 . . . . 130 GLU HB2 . 19206 1 1346 . 1 1 130 130 GLU HB3 H 1 1.942 0.020 . 2 . . . . 130 GLU HB3 . 19206 1 1347 . 1 1 130 130 GLU HG2 H 1 2.145 0.020 . 2 . . . . 130 GLU HG2 . 19206 1 1348 . 1 1 130 130 GLU HG3 H 1 1.969 0.020 . 2 . . . . 130 GLU HG3 . 19206 1 1349 . 1 1 130 130 GLU C C 13 174.830 0.3 . 1 . . . . 130 GLU C . 19206 1 1350 . 1 1 130 130 GLU CA C 13 54.611 0.3 . 1 . . . . 130 GLU CA . 19206 1 1351 . 1 1 130 130 GLU CB C 13 34.092 0.3 . 1 . . . . 130 GLU CB . 19206 1 1352 . 1 1 130 130 GLU CG C 13 37.596 0.3 . 1 . . . . 130 GLU CG . 19206 1 1353 . 1 1 130 130 GLU N N 15 127.676 0.3 . 1 . . . . 130 GLU N . 19206 1 1354 . 1 1 131 131 ILE H H 1 8.945 0.020 . 1 . . . . 131 ILE H . 19206 1 1355 . 1 1 131 131 ILE HA H 1 4.469 0.020 . 1 . . . . 131 ILE HA . 19206 1 1356 . 1 1 131 131 ILE HB H 1 1.500 0.020 . 1 . . . . 131 ILE HB . 19206 1 1357 . 1 1 131 131 ILE HG12 H 1 0.826 0.020 . 2 . . . . 131 ILE HG12 . 19206 1 1358 . 1 1 131 131 ILE HG13 H 1 0.788 0.020 . 2 . . . . 131 ILE HG13 . 19206 1 1359 . 1 1 131 131 ILE HG21 H 1 0.356 0.020 . 1 . . . . 131 ILE HG2 . 19206 1 1360 . 1 1 131 131 ILE HG22 H 1 0.356 0.020 . 1 . . . . 131 ILE HG2 . 19206 1 1361 . 1 1 131 131 ILE HG23 H 1 0.356 0.020 . 1 . . . . 131 ILE HG2 . 19206 1 1362 . 1 1 131 131 ILE HD11 H 1 0.191 0.020 . 1 . . . . 131 ILE HD1 . 19206 1 1363 . 1 1 131 131 ILE HD12 H 1 0.191 0.020 . 1 . . . . 131 ILE HD1 . 19206 1 1364 . 1 1 131 131 ILE HD13 H 1 0.191 0.020 . 1 . . . . 131 ILE HD1 . 19206 1 1365 . 1 1 131 131 ILE C C 13 175.642 0.3 . 1 . . . . 131 ILE C . 19206 1 1366 . 1 1 131 131 ILE CA C 13 60.860 0.3 . 1 . . . . 131 ILE CA . 19206 1 1367 . 1 1 131 131 ILE CB C 13 40.591 0.3 . 1 . . . . 131 ILE CB . 19206 1 1368 . 1 1 131 131 ILE CG1 C 13 27.048 0.3 . 1 . . . . 131 ILE CG1 . 19206 1 1369 . 1 1 131 131 ILE CG2 C 13 18.247 0.3 . 1 . . . . 131 ILE CG2 . 19206 1 1370 . 1 1 131 131 ILE CD1 C 13 14.015 0.3 . 1 . . . . 131 ILE CD1 . 19206 1 1371 . 1 1 131 131 ILE N N 15 125.860 0.3 . 1 . . . . 131 ILE N . 19206 1 1372 . 1 1 132 132 ARG H H 1 8.687 0.020 . 1 . . . . 132 ARG H . 19206 1 1373 . 1 1 132 132 ARG HA H 1 4.963 0.020 . 1 . . . . 132 ARG HA . 19206 1 1374 . 1 1 132 132 ARG HB2 H 1 1.806 0.020 . 2 . . . . 132 ARG HB2 . 19206 1 1375 . 1 1 132 132 ARG HB3 H 1 1.577 0.020 . 2 . . . . 132 ARG HB3 . 19206 1 1376 . 1 1 132 132 ARG HG2 H 1 1.518 0.020 . 1 . . . . 132 ARG HG2 . 19206 1 1377 . 1 1 132 132 ARG HG3 H 1 1.518 0.020 . 1 . . . . 132 ARG HG3 . 19206 1 1378 . 1 1 132 132 ARG HD2 H 1 3.096 0.020 . 1 . . . . 132 ARG HD2 . 19206 1 1379 . 1 1 132 132 ARG HD3 H 1 3.096 0.020 . 1 . . . . 132 ARG HD3 . 19206 1 1380 . 1 1 132 132 ARG C C 13 175.239 0.3 . 1 . . . . 132 ARG C . 19206 1 1381 . 1 1 132 132 ARG CA C 13 54.853 0.3 . 1 . . . . 132 ARG CA . 19206 1 1382 . 1 1 132 132 ARG CB C 13 33.844 0.3 . 1 . . . . 132 ARG CB . 19206 1 1383 . 1 1 132 132 ARG CG C 13 27.470 0.3 . 1 . . . . 132 ARG CG . 19206 1 1384 . 1 1 132 132 ARG CD C 13 42.869 0.3 . 1 . . . . 132 ARG CD . 19206 1 1385 . 1 1 132 132 ARG N N 15 125.914 0.3 . 1 . . . . 132 ARG N . 19206 1 1386 . 1 1 133 133 LYS H H 1 8.701 0.020 . 1 . . . . 133 LYS H . 19206 1 1387 . 1 1 133 133 LYS HA H 1 4.176 0.020 . 1 . . . . 133 LYS HA . 19206 1 1388 . 1 1 133 133 LYS HB2 H 1 1.773 0.020 . 2 . . . . 133 LYS HB2 . 19206 1 1389 . 1 1 133 133 LYS HB3 H 1 1.828 0.020 . 2 . . . . 133 LYS HB3 . 19206 1 1390 . 1 1 133 133 LYS HG2 H 1 1.395 0.020 . 1 . . . . 133 LYS HG2 . 19206 1 1391 . 1 1 133 133 LYS HG3 H 1 1.395 0.020 . 1 . . . . 133 LYS HG3 . 19206 1 1392 . 1 1 133 133 LYS HD2 H 1 1.724 0.020 . 2 . . . . 133 LYS HD2 . 19206 1 1393 . 1 1 133 133 LYS HD3 H 1 1.670 0.020 . 2 . . . . 133 LYS HD3 . 19206 1 1394 . 1 1 133 133 LYS HE2 H 1 3.008 0.020 . 1 . . . . 133 LYS HE2 . 19206 1 1395 . 1 1 133 133 LYS HE3 H 1 3.008 0.020 . 1 . . . . 133 LYS HE3 . 19206 1 1396 . 1 1 133 133 LYS C C 13 175.845 0.3 . 1 . . . . 133 LYS C . 19206 1 1397 . 1 1 133 133 LYS CA C 13 56.864 0.3 . 1 . . . . 133 LYS CA . 19206 1 1398 . 1 1 133 133 LYS CB C 13 33.351 0.3 . 1 . . . . 133 LYS CB . 19206 1 1399 . 1 1 133 133 LYS CG C 13 24.705 0.3 . 1 . . . . 133 LYS CG . 19206 1 1400 . 1 1 133 133 LYS CD C 13 29.389 0.3 . 1 . . . . 133 LYS CD . 19206 1 1401 . 1 1 133 133 LYS CE C 13 41.694 0.3 . 1 . . . . 133 LYS CE . 19206 1 1402 . 1 1 133 133 LYS N N 15 123.840 0.3 . 1 . . . . 133 LYS N . 19206 1 1403 . 1 1 134 134 LEU H H 1 7.875 0.020 . 1 . . . . 134 LEU H . 19206 1 1404 . 1 1 134 134 LEU HA H 1 4.317 0.020 . 1 . . . . 134 LEU HA . 19206 1 1405 . 1 1 134 134 LEU HB2 H 1 1.441 0.020 . 2 . . . . 134 LEU HB2 . 19206 1 1406 . 1 1 134 134 LEU HB3 H 1 1.366 0.020 . 2 . . . . 134 LEU HB3 . 19206 1 1407 . 1 1 134 134 LEU HG H 1 1.518 0.020 . 1 . . . . 134 LEU HG . 19206 1 1408 . 1 1 134 134 LEU HD11 H 1 0.837 0.020 . 2 . . . . 134 LEU HD1 . 19206 1 1409 . 1 1 134 134 LEU HD12 H 1 0.837 0.020 . 2 . . . . 134 LEU HD1 . 19206 1 1410 . 1 1 134 134 LEU HD13 H 1 0.837 0.020 . 2 . . . . 134 LEU HD1 . 19206 1 1411 . 1 1 134 134 LEU HD21 H 1 0.773 0.020 . 2 . . . . 134 LEU HD2 . 19206 1 1412 . 1 1 134 134 LEU HD22 H 1 0.773 0.020 . 2 . . . . 134 LEU HD2 . 19206 1 1413 . 1 1 134 134 LEU HD23 H 1 0.773 0.020 . 2 . . . . 134 LEU HD2 . 19206 1 1414 . 1 1 134 134 LEU C C 13 176.253 0.3 . 1 . . . . 134 LEU C . 19206 1 1415 . 1 1 134 134 LEU CA C 13 54.609 0.3 . 1 . . . . 134 LEU CA . 19206 1 1416 . 1 1 134 134 LEU CB C 13 42.600 0.3 . 1 . . . . 134 LEU CB . 19206 1 1417 . 1 1 134 134 LEU CG C 13 26.621 0.3 . 1 . . . . 134 LEU CG . 19206 1 1418 . 1 1 134 134 LEU CD1 C 13 24.536 0.3 . 1 . . . . 134 LEU CD1 . 19206 1 1419 . 1 1 134 134 LEU CD2 C 13 23.499 0.3 . 1 . . . . 134 LEU CD2 . 19206 1 1420 . 1 1 134 134 LEU N N 15 124.670 0.3 . 1 . . . . 134 LEU N . 19206 1 1421 . 1 1 135 135 ALA H H 1 8.326 0.020 . 1 . . . . 135 ALA H . 19206 1 1422 . 1 1 135 135 ALA HA H 1 4.193 0.020 . 1 . . . . 135 ALA HA . 19206 1 1423 . 1 1 135 135 ALA HB1 H 1 1.301 0.020 . 1 . . . . 135 ALA HB . 19206 1 1424 . 1 1 135 135 ALA HB2 H 1 1.301 0.020 . 1 . . . . 135 ALA HB . 19206 1 1425 . 1 1 135 135 ALA HB3 H 1 1.301 0.020 . 1 . . . . 135 ALA HB . 19206 1 1426 . 1 1 135 135 ALA C C 13 177.065 0.3 . 1 . . . . 135 ALA C . 19206 1 1427 . 1 1 135 135 ALA CA C 13 52.109 0.3 . 1 . . . . 135 ALA CA . 19206 1 1428 . 1 1 135 135 ALA CB C 13 19.083 0.3 . 1 . . . . 135 ALA CB . 19206 1 1429 . 1 1 135 135 ALA N N 15 125.811 0.3 . 1 . . . . 135 ALA N . 19206 1 1430 . 1 1 136 136 ALA H H 1 8.215 0.020 . 1 . . . . 136 ALA H . 19206 1 1431 . 1 1 136 136 ALA HA H 1 4.194 0.020 . 1 . . . . 136 ALA HA . 19206 1 1432 . 1 1 136 136 ALA HB1 H 1 1.301 0.020 . 1 . . . . 136 ALA HB . 19206 1 1433 . 1 1 136 136 ALA HB2 H 1 1.301 0.020 . 1 . . . . 136 ALA HB . 19206 1 1434 . 1 1 136 136 ALA HB3 H 1 1.301 0.020 . 1 . . . . 136 ALA HB . 19206 1 1435 . 1 1 136 136 ALA C C 13 177.269 0.3 . 1 . . . . 136 ALA C . 19206 1 1436 . 1 1 136 136 ALA CA C 13 52.345 0.3 . 1 . . . . 136 ALA CA . 19206 1 1437 . 1 1 136 136 ALA CB C 13 19.094 0.3 . 1 . . . . 136 ALA CB . 19206 1 1438 . 1 1 136 136 ALA N N 15 123.905 0.3 . 1 . . . . 136 ALA N . 19206 1 1439 . 1 1 137 137 ALA H H 1 8.242 0.020 . 1 . . . . 137 ALA H . 19206 1 1440 . 1 1 137 137 ALA HA H 1 4.194 0.020 . 1 . . . . 137 ALA HA . 19206 1 1441 . 1 1 137 137 ALA HB1 H 1 1.301 0.020 . 1 . . . . 137 ALA HB . 19206 1 1442 . 1 1 137 137 ALA HB2 H 1 1.301 0.020 . 1 . . . . 137 ALA HB . 19206 1 1443 . 1 1 137 137 ALA HB3 H 1 1.301 0.020 . 1 . . . . 137 ALA HB . 19206 1 1444 . 1 1 137 137 ALA C C 13 177.486 0.3 . 1 . . . . 137 ALA C . 19206 1 1445 . 1 1 137 137 ALA CA C 13 52.355 0.3 . 1 . . . . 137 ALA CA . 19206 1 1446 . 1 1 137 137 ALA CB C 13 19.074 0.3 . 1 . . . . 137 ALA CB . 19206 1 1447 . 1 1 137 137 ALA N N 15 123.228 0.3 . 1 . . . . 137 ALA N . 19206 1 1448 . 1 1 138 138 LEU H H 1 8.111 0.020 . 1 . . . . 138 LEU H . 19206 1 1449 . 1 1 138 138 LEU HA H 1 4.222 0.020 . 1 . . . . 138 LEU HA . 19206 1 1450 . 1 1 138 138 LEU HB2 H 1 1.418 0.020 . 2 . . . . 138 LEU HB2 . 19206 1 1451 . 1 1 138 138 LEU HB3 H 1 1.523 0.020 . 2 . . . . 138 LEU HB3 . 19206 1 1452 . 1 1 138 138 LEU HG H 1 1.365 0.020 . 1 . . . . 138 LEU HG . 19206 1 1453 . 1 1 138 138 LEU HD11 H 1 0.808 0.020 . 2 . . . . 138 LEU HD1 . 19206 1 1454 . 1 1 138 138 LEU HD12 H 1 0.808 0.020 . 2 . . . . 138 LEU HD1 . 19206 1 1455 . 1 1 138 138 LEU HD13 H 1 0.808 0.020 . 2 . . . . 138 LEU HD1 . 19206 1 1456 . 1 1 138 138 LEU HD21 H 1 0.749 0.020 . 2 . . . . 138 LEU HD2 . 19206 1 1457 . 1 1 138 138 LEU HD22 H 1 0.749 0.020 . 2 . . . . 138 LEU HD2 . 19206 1 1458 . 1 1 138 138 LEU HD23 H 1 0.749 0.020 . 2 . . . . 138 LEU HD2 . 19206 1 1459 . 1 1 138 138 LEU C C 13 177.068 0.3 . 1 . . . . 138 LEU C . 19206 1 1460 . 1 1 138 138 LEU CA C 13 54.860 0.3 . 1 . . . . 138 LEU CA . 19206 1 1461 . 1 1 138 138 LEU CB C 13 42.104 0.3 . 1 . . . . 138 LEU CB . 19206 1 1462 . 1 1 138 138 LEU CG C 13 26.683 0.3 . 1 . . . . 138 LEU CG . 19206 1 1463 . 1 1 138 138 LEU CD1 C 13 24.555 0.3 . 1 . . . . 138 LEU CD1 . 19206 1 1464 . 1 1 138 138 LEU CD2 C 13 23.380 0.3 . 1 . . . . 138 LEU CD2 . 19206 1 1465 . 1 1 138 138 LEU N N 15 121.233 0.3 . 1 . . . . 138 LEU N . 19206 1 1466 . 1 1 139 139 GLU H H 1 8.207 0.020 . 1 . . . . 139 GLU H . 19206 1 1467 . 1 1 139 139 GLU HA H 1 4.128 0.020 . 1 . . . . 139 GLU HA . 19206 1 1468 . 1 1 139 139 GLU HB2 H 1 1.846 0.020 . 2 . . . . 139 GLU HB2 . 19206 1 1469 . 1 1 139 139 GLU HB3 H 1 1.805 0.020 . 2 . . . . 139 GLU HB3 . 19206 1 1470 . 1 1 139 139 GLU HG2 H 1 2.128 0.020 . 2 . . . . 139 GLU HG2 . 19206 1 1471 . 1 1 139 139 GLU HG3 H 1 2.157 0.020 . 2 . . . . 139 GLU HG3 . 19206 1 1472 . 1 1 139 139 GLU C C 13 176.047 0.3 . 1 . . . . 139 GLU C . 19206 1 1473 . 1 1 139 139 GLU CA C 13 56.330 0.3 . 1 . . . . 139 GLU CA . 19206 1 1474 . 1 1 139 139 GLU CB C 13 30.344 0.3 . 1 . . . . 139 GLU CB . 19206 1 1475 . 1 1 139 139 GLU CG C 13 36.054 0.3 . 1 . . . . 139 GLU CG . 19206 1 1476 . 1 1 139 139 GLU N N 15 121.638 0.3 . 1 . . . . 139 GLU N . 19206 1 1477 . 1 1 140 140 HIS H H 1 8.428 0.020 . 1 . . . . 140 HIS H . 19206 1 1478 . 1 1 140 140 HIS HA H 1 4.540 0.020 . 1 . . . . 140 HIS HA . 19206 1 1479 . 1 1 140 140 HIS HB2 H 1 3.020 0.020 . 2 . . . . 140 HIS HB2 . 19206 1 1480 . 1 1 140 140 HIS HB3 H 1 2.967 0.020 . 2 . . . . 140 HIS HB3 . 19206 1 1481 . 1 1 140 140 HIS HD2 H 1 7.020 0.020 . 1 . . . . 140 HIS HD2 . 19206 1 1482 . 1 1 140 140 HIS HE1 H 1 8.153 0.020 . 1 . . . . 140 HIS HE1 . 19206 1 1483 . 1 1 140 140 HIS C C 13 174.434 0.3 . 1 . . . . 140 HIS C . 19206 1 1484 . 1 1 140 140 HIS CA C 13 55.606 0.3 . 1 . . . . 140 HIS CA . 19206 1 1485 . 1 1 140 140 HIS CB C 13 29.839 0.3 . 1 . . . . 140 HIS CB . 19206 1 1486 . 1 1 140 140 HIS CD2 C 13 119.416 0.3 . 1 . . . . 140 HIS CD2 . 19206 1 1487 . 1 1 140 140 HIS CE1 C 13 136.954 0.3 . 1 . . . . 140 HIS CE1 . 19206 1 1488 . 1 1 140 140 HIS N N 15 120.083 0.3 . 1 . . . . 140 HIS N . 19206 1 stop_ save_