data_5181 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5181 _Entry.Title ; Virtually complete 1H, 13C and 15N resonance assignments of the second family 4 xylan binding module of Rhodothermus marinus xylanase 10A ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-10-16 _Entry.Accession_date 2001-10-16 _Entry.Last_release_date 2002-05-07 _Entry.Original_release_date 2002-05-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Stuart Jamieson . J . 5181 2 Michael Williamson . P . 5181 3 Maher Abou-Hachem . . . 5181 4 Eva 'Nordberg Karlsson' . . . 5181 5 Peter Simpson . J . 5181 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5181 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1128 5181 '13C chemical shifts' 712 5181 '15N chemical shifts' 183 5181 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 . . 2002-05-07 2001-10-16 original author . 5181 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5181 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21880666 _Citation.DOI . _Citation.PubMed_ID 11883782 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Virtually Complete 1H, 13C and 15N Resonance Assignments of the Second Family 4 Xylan Binding Module of Rhodothermus marinus xylanase 10A ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 22 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 187 _Citation.Page_last 188 _Citation.Year 2002 _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 Stuart Jamieson . J . 5181 1 2 Michael Williamson . P . 5181 1 3 Maher Abou-Hachem . . . 5181 1 4 K. Nordberg . E. . 5181 1 5 Peter Simpson . J . 5181 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'xylan binding module,xylanase' 5181 1 'resonance assignment' 5181 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cbm4-2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cbm4-2 _Assembly.Entry_ID 5181 _Assembly.ID 1 _Assembly.Name 'Xylanase 10A, second family 4 carbohydrate binding module' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.2.1.8 _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5181 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 cbm4-2 1 $cbm4-2 . . . native . . . . . 5181 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1K45 . . . . . . 5181 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Xylanase 10A, second family 4 carbohydrate binding module' system 5181 1 cbm4-2 abbreviation 5181 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Xylan binding module from a xylanase' 5181 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cbm4-2 _Entity.Sf_category entity _Entity.Sf_framecode cbm4-2 _Entity.Entry_ID 5181 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cbm4-2 _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 ; MLVANINGGFESTPAGVVTD LAEGVEGWDLNVGSSVTNPP VFEVLETSDAPEGNKVLAVT VNGVGNNPWDIEATAFPVNV RPGVTYTYTIWARAEQDGAV VSFTVGNQSFQEYGRLHEQQ ITTEWQPFTFEFTVSDQETV IRAPIHFGYAANVGNTIYID GLAIASQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 168 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1K42 . "The Solution Structure Of The Cbm4-2 Carbohydrate Binding Module From A Thermostable Rhodothermus Marinus Xylanase." . . . . . 100.00 168 100.00 100.00 1.08e-115 . . . . 5181 1 2 no PDB 1K45 . "The Solution Structure Of The Cbm4-2 Carbohydrate Binding Module From A Thermostable Rhodothermus Marinus Xylanase" . . . . . 100.00 168 100.00 100.00 1.08e-115 . . . . 5181 1 3 no GB AAR06926 . "xylanase [Rhodothermus marinus]" . . . . . 97.02 165 100.00 100.00 1.40e-111 . . . . 5181 1 4 no GB AAT07003 . "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" . . . . . 97.02 165 97.55 98.77 7.34e-109 . . . . 5181 1 5 no GB AAT07004 . "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" . . . . . 97.02 165 96.93 98.77 9.64e-109 . . . . 5181 1 6 no GB AAT07006 . "xylan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" . . . . . 97.02 165 97.55 98.77 2.30e-109 . . . . 5181 1 7 no GB AAT07022 . "mannan-binding variant of Rhodothermus marinus xylanase CBM4-2 [synthetic construct]" . . . . . 97.02 165 97.55 98.77 2.30e-109 . . . . 5181 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID cbm4-2 common 5181 1 cbm4-2 abbreviation 5181 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5181 1 2 . LEU . 5181 1 3 . VAL . 5181 1 4 . ALA . 5181 1 5 . ASN . 5181 1 6 . ILE . 5181 1 7 . ASN . 5181 1 8 . GLY . 5181 1 9 . GLY . 5181 1 10 . PHE . 5181 1 11 . GLU . 5181 1 12 . SER . 5181 1 13 . THR . 5181 1 14 . PRO . 5181 1 15 . ALA . 5181 1 16 . GLY . 5181 1 17 . VAL . 5181 1 18 . VAL . 5181 1 19 . THR . 5181 1 20 . ASP . 5181 1 21 . LEU . 5181 1 22 . ALA . 5181 1 23 . GLU . 5181 1 24 . GLY . 5181 1 25 . VAL . 5181 1 26 . GLU . 5181 1 27 . GLY . 5181 1 28 . TRP . 5181 1 29 . ASP . 5181 1 30 . LEU . 5181 1 31 . ASN . 5181 1 32 . VAL . 5181 1 33 . GLY . 5181 1 34 . SER . 5181 1 35 . SER . 5181 1 36 . VAL . 5181 1 37 . THR . 5181 1 38 . ASN . 5181 1 39 . PRO . 5181 1 40 . PRO . 5181 1 41 . VAL . 5181 1 42 . PHE . 5181 1 43 . GLU . 5181 1 44 . VAL . 5181 1 45 . LEU . 5181 1 46 . GLU . 5181 1 47 . THR . 5181 1 48 . SER . 5181 1 49 . ASP . 5181 1 50 . ALA . 5181 1 51 . PRO . 5181 1 52 . GLU . 5181 1 53 . GLY . 5181 1 54 . ASN . 5181 1 55 . LYS . 5181 1 56 . VAL . 5181 1 57 . LEU . 5181 1 58 . ALA . 5181 1 59 . VAL . 5181 1 60 . THR . 5181 1 61 . VAL . 5181 1 62 . ASN . 5181 1 63 . GLY . 5181 1 64 . VAL . 5181 1 65 . GLY . 5181 1 66 . ASN . 5181 1 67 . ASN . 5181 1 68 . PRO . 5181 1 69 . TRP . 5181 1 70 . ASP . 5181 1 71 . ILE . 5181 1 72 . GLU . 5181 1 73 . ALA . 5181 1 74 . THR . 5181 1 75 . ALA . 5181 1 76 . PHE . 5181 1 77 . PRO . 5181 1 78 . VAL . 5181 1 79 . ASN . 5181 1 80 . VAL . 5181 1 81 . ARG . 5181 1 82 . PRO . 5181 1 83 . GLY . 5181 1 84 . VAL . 5181 1 85 . THR . 5181 1 86 . TYR . 5181 1 87 . THR . 5181 1 88 . TYR . 5181 1 89 . THR . 5181 1 90 . ILE . 5181 1 91 . TRP . 5181 1 92 . ALA . 5181 1 93 . ARG . 5181 1 94 . ALA . 5181 1 95 . GLU . 5181 1 96 . GLN . 5181 1 97 . ASP . 5181 1 98 . GLY . 5181 1 99 . ALA . 5181 1 100 . VAL . 5181 1 101 . VAL . 5181 1 102 . SER . 5181 1 103 . PHE . 5181 1 104 . THR . 5181 1 105 . VAL . 5181 1 106 . GLY . 5181 1 107 . ASN . 5181 1 108 . GLN . 5181 1 109 . SER . 5181 1 110 . PHE . 5181 1 111 . GLN . 5181 1 112 . GLU . 5181 1 113 . TYR . 5181 1 114 . GLY . 5181 1 115 . ARG . 5181 1 116 . LEU . 5181 1 117 . HIS . 5181 1 118 . GLU . 5181 1 119 . GLN . 5181 1 120 . GLN . 5181 1 121 . ILE . 5181 1 122 . THR . 5181 1 123 . THR . 5181 1 124 . GLU . 5181 1 125 . TRP . 5181 1 126 . GLN . 5181 1 127 . PRO . 5181 1 128 . PHE . 5181 1 129 . THR . 5181 1 130 . PHE . 5181 1 131 . GLU . 5181 1 132 . PHE . 5181 1 133 . THR . 5181 1 134 . VAL . 5181 1 135 . SER . 5181 1 136 . ASP . 5181 1 137 . GLN . 5181 1 138 . GLU . 5181 1 139 . THR . 5181 1 140 . VAL . 5181 1 141 . ILE . 5181 1 142 . ARG . 5181 1 143 . ALA . 5181 1 144 . PRO . 5181 1 145 . ILE . 5181 1 146 . HIS . 5181 1 147 . PHE . 5181 1 148 . GLY . 5181 1 149 . TYR . 5181 1 150 . ALA . 5181 1 151 . ALA . 5181 1 152 . ASN . 5181 1 153 . VAL . 5181 1 154 . GLY . 5181 1 155 . ASN . 5181 1 156 . THR . 5181 1 157 . ILE . 5181 1 158 . TYR . 5181 1 159 . ILE . 5181 1 160 . ASP . 5181 1 161 . GLY . 5181 1 162 . LEU . 5181 1 163 . ALA . 5181 1 164 . ILE . 5181 1 165 . ALA . 5181 1 166 . SER . 5181 1 167 . GLN . 5181 1 168 . PRO . 5181 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 5181 1 . LEU 2 2 5181 1 . VAL 3 3 5181 1 . ALA 4 4 5181 1 . ASN 5 5 5181 1 . ILE 6 6 5181 1 . ASN 7 7 5181 1 . GLY 8 8 5181 1 . GLY 9 9 5181 1 . PHE 10 10 5181 1 . GLU 11 11 5181 1 . SER 12 12 5181 1 . THR 13 13 5181 1 . PRO 14 14 5181 1 . ALA 15 15 5181 1 . GLY 16 16 5181 1 . VAL 17 17 5181 1 . VAL 18 18 5181 1 . THR 19 19 5181 1 . ASP 20 20 5181 1 . LEU 21 21 5181 1 . ALA 22 22 5181 1 . GLU 23 23 5181 1 . GLY 24 24 5181 1 . VAL 25 25 5181 1 . GLU 26 26 5181 1 . GLY 27 27 5181 1 . TRP 28 28 5181 1 . ASP 29 29 5181 1 . LEU 30 30 5181 1 . ASN 31 31 5181 1 . VAL 32 32 5181 1 . GLY 33 33 5181 1 . SER 34 34 5181 1 . SER 35 35 5181 1 . VAL 36 36 5181 1 . THR 37 37 5181 1 . ASN 38 38 5181 1 . PRO 39 39 5181 1 . PRO 40 40 5181 1 . VAL 41 41 5181 1 . PHE 42 42 5181 1 . GLU 43 43 5181 1 . VAL 44 44 5181 1 . LEU 45 45 5181 1 . GLU 46 46 5181 1 . THR 47 47 5181 1 . SER 48 48 5181 1 . ASP 49 49 5181 1 . ALA 50 50 5181 1 . PRO 51 51 5181 1 . GLU 52 52 5181 1 . GLY 53 53 5181 1 . ASN 54 54 5181 1 . LYS 55 55 5181 1 . VAL 56 56 5181 1 . LEU 57 57 5181 1 . ALA 58 58 5181 1 . VAL 59 59 5181 1 . THR 60 60 5181 1 . VAL 61 61 5181 1 . ASN 62 62 5181 1 . GLY 63 63 5181 1 . VAL 64 64 5181 1 . GLY 65 65 5181 1 . ASN 66 66 5181 1 . ASN 67 67 5181 1 . PRO 68 68 5181 1 . TRP 69 69 5181 1 . ASP 70 70 5181 1 . ILE 71 71 5181 1 . GLU 72 72 5181 1 . ALA 73 73 5181 1 . THR 74 74 5181 1 . ALA 75 75 5181 1 . PHE 76 76 5181 1 . PRO 77 77 5181 1 . VAL 78 78 5181 1 . ASN 79 79 5181 1 . VAL 80 80 5181 1 . ARG 81 81 5181 1 . PRO 82 82 5181 1 . GLY 83 83 5181 1 . VAL 84 84 5181 1 . THR 85 85 5181 1 . TYR 86 86 5181 1 . THR 87 87 5181 1 . TYR 88 88 5181 1 . THR 89 89 5181 1 . ILE 90 90 5181 1 . TRP 91 91 5181 1 . ALA 92 92 5181 1 . ARG 93 93 5181 1 . ALA 94 94 5181 1 . GLU 95 95 5181 1 . GLN 96 96 5181 1 . ASP 97 97 5181 1 . GLY 98 98 5181 1 . ALA 99 99 5181 1 . VAL 100 100 5181 1 . VAL 101 101 5181 1 . SER 102 102 5181 1 . PHE 103 103 5181 1 . THR 104 104 5181 1 . VAL 105 105 5181 1 . GLY 106 106 5181 1 . ASN 107 107 5181 1 . GLN 108 108 5181 1 . SER 109 109 5181 1 . PHE 110 110 5181 1 . GLN 111 111 5181 1 . GLU 112 112 5181 1 . TYR 113 113 5181 1 . GLY 114 114 5181 1 . ARG 115 115 5181 1 . LEU 116 116 5181 1 . HIS 117 117 5181 1 . GLU 118 118 5181 1 . GLN 119 119 5181 1 . GLN 120 120 5181 1 . ILE 121 121 5181 1 . THR 122 122 5181 1 . THR 123 123 5181 1 . GLU 124 124 5181 1 . TRP 125 125 5181 1 . GLN 126 126 5181 1 . PRO 127 127 5181 1 . PHE 128 128 5181 1 . THR 129 129 5181 1 . PHE 130 130 5181 1 . GLU 131 131 5181 1 . PHE 132 132 5181 1 . THR 133 133 5181 1 . VAL 134 134 5181 1 . SER 135 135 5181 1 . ASP 136 136 5181 1 . GLN 137 137 5181 1 . GLU 138 138 5181 1 . THR 139 139 5181 1 . VAL 140 140 5181 1 . ILE 141 141 5181 1 . ARG 142 142 5181 1 . ALA 143 143 5181 1 . PRO 144 144 5181 1 . ILE 145 145 5181 1 . HIS 146 146 5181 1 . PHE 147 147 5181 1 . GLY 148 148 5181 1 . TYR 149 149 5181 1 . ALA 150 150 5181 1 . ALA 151 151 5181 1 . ASN 152 152 5181 1 . VAL 153 153 5181 1 . GLY 154 154 5181 1 . ASN 155 155 5181 1 . THR 156 156 5181 1 . ILE 157 157 5181 1 . TYR 158 158 5181 1 . ILE 159 159 5181 1 . ASP 160 160 5181 1 . GLY 161 161 5181 1 . LEU 162 162 5181 1 . ALA 163 163 5181 1 . ILE 164 164 5181 1 . ALA 165 165 5181 1 . SER 166 166 5181 1 . GLN 167 167 5181 1 . PRO 168 168 5181 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5181 _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 $cbm4-2 . 29549 . . 'Rhodothermus marinus' 'Rhodothermus marinus' . . Eubacteria . Rhodothermus marinus . . . . . . . . . . . . . . . . xyn10A . . . . 5181 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 5181 _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 $cbm4-2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pET-25b(+) . . . . . . 5181 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5181 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 cbm4-2 '[U-13C; U-15N]' . . 1 $cbm4-2 . . 1.5 . . mM . . . . 5181 1 2 CaCl2 . . . . . . . 50 . . mM . . . . 5181 1 3 'sodium acetate' [U-2H] . . . . . . 50 . . mM . . . . 5181 1 4 'sodium azide' . . . . . . . 10 . . mM . . . . 5181 1 5 TSP . . . . . . . 0.1 . . mM . . . . 5181 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5181 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 5181 1 temperature 313 1 K 5181 1 'ionic strength' 0.2 . M 5181 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5181 _Software.ID 1 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5181 1 analysis 5181 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5181 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5181 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5181 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 5181 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 5181 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 5181 _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 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 2 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 3 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 4 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 5 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 6 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 7 CCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 8 HB(CBCGCD)HD . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 9 2D-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 10 '13C-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 11 '3D 15N-dispersed TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 12 '3D 15N-dispersed NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5181 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name HNHA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HB(CBCGCD)HD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 2D-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '13C-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D 15N-dispersed TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5181 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D 15N-dispersed NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5181 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5181 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5181 1 C 13 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5181 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shifts_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_set_1 _Assigned_chem_shift_list.Entry_ID 5181 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5181 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CE C 13 16.9 0.2 . 1 . . . . . . . . 5181 1 2 . 1 1 1 1 MET HE1 H 1 2.030 0.005 . 1 . . . . . . . . 5181 1 3 . 1 1 1 1 MET HE2 H 1 2.030 0.005 . 1 . . . . . . . . 5181 1 4 . 1 1 1 1 MET HE3 H 1 2.030 0.005 . 1 . . . . . . . . 5181 1 5 . 1 1 2 2 LEU C C 13 176.4 0.2 . 1 . . . . . . . . 5181 1 6 . 1 1 2 2 LEU CA C 13 55.2 0.2 . 1 . . . . . . . . 5181 1 7 . 1 1 2 2 LEU HA H 1 4.612 0.005 . 1 . . . . . . . . 5181 1 8 . 1 1 2 2 LEU CB C 13 42.6 0.2 . 1 . . . . . . . . 5181 1 9 . 1 1 2 2 LEU HB3 H 1 1.676 0.005 . 1 . . . . . . . . 5181 1 10 . 1 1 2 2 LEU HB2 H 1 1.676 0.005 . 1 . . . . . . . . 5181 1 11 . 1 1 2 2 LEU CG C 13 26.9 0.2 . 1 . . . . . . . . 5181 1 12 . 1 1 2 2 LEU CD2 C 13 24.1 0.2 . 1 . . . . . . . . 5181 1 13 . 1 1 2 2 LEU HD21 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 14 . 1 1 2 2 LEU HD22 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 15 . 1 1 2 2 LEU HD23 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 16 . 1 1 2 2 LEU CD1 C 13 24.7 0.2 . 1 . . . . . . . . 5181 1 17 . 1 1 2 2 LEU HD11 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 18 . 1 1 2 2 LEU HD12 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 19 . 1 1 2 2 LEU HD13 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 20 . 1 1 3 3 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 5181 1 21 . 1 1 3 3 VAL H H 1 8.229 0.005 . 1 . . . . . . . . 5181 1 22 . 1 1 3 3 VAL C C 13 176.3 0.2 . 1 . . . . . . . . 5181 1 23 . 1 1 3 3 VAL CA C 13 61.6 0.2 . 1 . . . . . . . . 5181 1 24 . 1 1 3 3 VAL HA H 1 4.653 0.005 . 1 . . . . . . . . 5181 1 25 . 1 1 3 3 VAL CB C 13 33.6 0.2 . 1 . . . . . . . . 5181 1 26 . 1 1 3 3 VAL HB H 1 2.269 0.005 . 1 . . . . . . . . 5181 1 27 . 1 1 3 3 VAL CG2 C 13 20.4 0.2 . 1 . . . . . . . . 5181 1 28 . 1 1 3 3 VAL HG21 H 1 1.000 0.005 . 1 . . . . . . . . 5181 1 29 . 1 1 3 3 VAL HG22 H 1 1.000 0.005 . 1 . . . . . . . . 5181 1 30 . 1 1 3 3 VAL HG23 H 1 1.000 0.005 . 1 . . . . . . . . 5181 1 31 . 1 1 3 3 VAL CG1 C 13 22.3 0.2 . 1 . . . . . . . . 5181 1 32 . 1 1 3 3 VAL HG11 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 33 . 1 1 3 3 VAL HG12 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 34 . 1 1 3 3 VAL HG13 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 35 . 1 1 4 4 ALA N N 15 126.3 0.2 . 1 . . . . . . . . 5181 1 36 . 1 1 4 4 ALA H H 1 9.309 0.005 . 1 . . . . . . . . 5181 1 37 . 1 1 4 4 ALA C C 13 176.7 0.2 . 1 . . . . . . . . 5181 1 38 . 1 1 4 4 ALA CA C 13 53.7 0.2 . 1 . . . . . . . . 5181 1 39 . 1 1 4 4 ALA HA H 1 4.427 0.005 . 1 . . . . . . . . 5181 1 40 . 1 1 4 4 ALA CB C 13 21.4 0.2 . 1 . . . . . . . . 5181 1 41 . 1 1 4 4 ALA HB1 H 1 1.254 0.005 . 1 . . . . . . . . 5181 1 42 . 1 1 4 4 ALA HB2 H 1 1.254 0.005 . 1 . . . . . . . . 5181 1 43 . 1 1 4 4 ALA HB3 H 1 1.254 0.005 . 1 . . . . . . . . 5181 1 44 . 1 1 5 5 ASN N N 15 114.2 0.2 . 1 . . . . . . . . 5181 1 45 . 1 1 5 5 ASN H H 1 8.408 0.005 . 1 . . . . . . . . 5181 1 46 . 1 1 5 5 ASN C C 13 173.1 0.2 . 1 . . . . . . . . 5181 1 47 . 1 1 5 5 ASN CA C 13 51.6 0.2 . 1 . . . . . . . . 5181 1 48 . 1 1 5 5 ASN HA H 1 4.929 0.005 . 1 . . . . . . . . 5181 1 49 . 1 1 5 5 ASN CB C 13 39.3 0.2 . 1 . . . . . . . . 5181 1 50 . 1 1 5 5 ASN HB3 H 1 1.825 0.005 . 2 . . . . . . . . 5181 1 51 . 1 1 5 5 ASN HB2 H 1 3.025 0.005 . 2 . . . . . . . . 5181 1 52 . 1 1 5 5 ASN ND2 N 15 115.8 0.2 . 1 . . . . . . . . 5181 1 53 . 1 1 5 5 ASN HD21 H 1 6.670 0.005 . 2 . . . . . . . . 5181 1 54 . 1 1 5 5 ASN HD22 H 1 7.800 0.005 . 2 . . . . . . . . 5181 1 55 . 1 1 6 6 ILE N N 15 123.3 0.2 . 1 . . . . . . . . 5181 1 56 . 1 1 6 6 ILE H H 1 9.704 0.005 . 1 . . . . . . . . 5181 1 57 . 1 1 6 6 ILE C C 13 176.1 0.2 . 1 . . . . . . . . 5181 1 58 . 1 1 6 6 ILE CA C 13 60.4 0.2 . 1 . . . . . . . . 5181 1 59 . 1 1 6 6 ILE HA H 1 4.189 0.005 . 1 . . . . . . . . 5181 1 60 . 1 1 6 6 ILE CB C 13 41.0 0.2 . 1 . . . . . . . . 5181 1 61 . 1 1 6 6 ILE HB H 1 1.726 0.005 . 1 . . . . . . . . 5181 1 62 . 1 1 6 6 ILE CG1 C 13 27.8 0.2 . 1 . . . . . . . . 5181 1 63 . 1 1 6 6 ILE HG13 H 1 1.090 0.005 . 2 . . . . . . . . 5181 1 64 . 1 1 6 6 ILE HG12 H 1 1.380 0.005 . 2 . . . . . . . . 5181 1 65 . 1 1 6 6 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 5181 1 66 . 1 1 6 6 ILE HG21 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 67 . 1 1 6 6 ILE HG22 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 68 . 1 1 6 6 ILE HG23 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 69 . 1 1 6 6 ILE CD1 C 13 13.7 0.2 . 1 . . . . . . . . 5181 1 70 . 1 1 6 6 ILE HD11 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 71 . 1 1 6 6 ILE HD12 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 72 . 1 1 6 6 ILE HD13 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 73 . 1 1 7 7 ASN N N 15 125.0 0.2 . 1 . . . . . . . . 5181 1 74 . 1 1 7 7 ASN H H 1 9.053 0.005 . 1 . . . . . . . . 5181 1 75 . 1 1 7 7 ASN C C 13 178.6 0.2 . 1 . . . . . . . . 5181 1 76 . 1 1 7 7 ASN CA C 13 53.7 0.2 . 1 . . . . . . . . 5181 1 77 . 1 1 7 7 ASN HA H 1 4.485 0.005 . 1 . . . . . . . . 5181 1 78 . 1 1 7 7 ASN CB C 13 37.0 0.2 . 1 . . . . . . . . 5181 1 79 . 1 1 7 7 ASN HB3 H 1 2.116 0.005 . 2 . . . . . . . . 5181 1 80 . 1 1 7 7 ASN HB2 H 1 3.898 0.005 . 2 . . . . . . . . 5181 1 81 . 1 1 7 7 ASN ND2 N 15 109.5 0.2 . 1 . . . . . . . . 5181 1 82 . 1 1 7 7 ASN HD21 H 1 6.640 0.005 . 2 . . . . . . . . 5181 1 83 . 1 1 7 7 ASN HD22 H 1 8.420 0.005 . 2 . . . . . . . . 5181 1 84 . 1 1 8 8 GLY N N 15 105.4 0.2 . 1 . . . . . . . . 5181 1 85 . 1 1 8 8 GLY H H 1 8.869 0.005 . 1 . . . . . . . . 5181 1 86 . 1 1 8 8 GLY C C 13 172.0 0.2 . 1 . . . . . . . . 5181 1 87 . 1 1 8 8 GLY CA C 13 47.4 0.2 . 1 . . . . . . . . 5181 1 88 . 1 1 8 8 GLY HA3 H 1 4.000 0.005 . 2 . . . . . . . . 5181 1 89 . 1 1 8 8 GLY HA2 H 1 4.060 0.005 . 2 . . . . . . . . 5181 1 90 . 1 1 9 9 GLY N N 15 104.1 0.2 . 1 . . . . . . . . 5181 1 91 . 1 1 9 9 GLY H H 1 7.909 0.005 . 1 . . . . . . . . 5181 1 92 . 1 1 9 9 GLY C C 13 176.8 0.2 . 1 . . . . . . . . 5181 1 93 . 1 1 9 9 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5181 1 94 . 1 1 9 9 GLY HA3 H 1 4.199 0.005 . 2 . . . . . . . . 5181 1 95 . 1 1 9 9 GLY HA2 H 1 4.843 0.005 . 2 . . . . . . . . 5181 1 96 . 1 1 10 10 PHE N N 15 110.9 0.2 . 1 . . . . . . . . 5181 1 97 . 1 1 10 10 PHE H H 1 6.849 0.005 . 1 . . . . . . . . 5181 1 98 . 1 1 10 10 PHE C C 13 175.1 0.2 . 1 . . . . . . . . 5181 1 99 . 1 1 10 10 PHE CA C 13 62.1 0.2 . 1 . . . . . . . . 5181 1 100 . 1 1 10 10 PHE HA H 1 3.729 0.005 . 1 . . . . . . . . 5181 1 101 . 1 1 10 10 PHE CB C 13 36.3 0.2 . 1 . . . . . . . . 5181 1 102 . 1 1 10 10 PHE HB3 H 1 3.130 0.005 . 1 . . . . . . . . 5181 1 103 . 1 1 10 10 PHE HB2 H 1 3.130 0.005 . 1 . . . . . . . . 5181 1 104 . 1 1 10 10 PHE CD1 C 13 128.8 0.2 . 1 . . . . . . . . 5181 1 105 . 1 1 10 10 PHE CD2 C 13 128.8 0.2 . 1 . . . . . . . . 5181 1 106 . 1 1 10 10 PHE HD1 H 1 6.670 0.005 . 1 . . . . . . . . 5181 1 107 . 1 1 10 10 PHE HD2 H 1 6.670 0.005 . 1 . . . . . . . . 5181 1 108 . 1 1 10 10 PHE CE1 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 109 . 1 1 10 10 PHE CE2 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 110 . 1 1 10 10 PHE HE1 H 1 7.160 0.005 . 1 . . . . . . . . 5181 1 111 . 1 1 10 10 PHE HE2 H 1 7.160 0.005 . 1 . . . . . . . . 5181 1 112 . 1 1 10 10 PHE CZ C 13 130.2 0.2 . 1 . . . . . . . . 5181 1 113 . 1 1 10 10 PHE HZ H 1 5.780 0.005 . 1 . . . . . . . . 5181 1 114 . 1 1 11 11 GLU N N 15 114.4 0.2 . 1 . . . . . . . . 5181 1 115 . 1 1 11 11 GLU H H 1 7.944 0.005 . 1 . . . . . . . . 5181 1 116 . 1 1 11 11 GLU C C 13 179.5 0.2 . 1 . . . . . . . . 5181 1 117 . 1 1 11 11 GLU CA C 13 58.3 0.2 . 1 . . . . . . . . 5181 1 118 . 1 1 11 11 GLU HA H 1 3.925 0.005 . 1 . . . . . . . . 5181 1 119 . 1 1 11 11 GLU CB C 13 29.1 0.2 . 1 . . . . . . . . 5181 1 120 . 1 1 11 11 GLU HB3 H 1 2.031 0.005 . 2 . . . . . . . . 5181 1 121 . 1 1 11 11 GLU HB2 H 1 2.295 0.005 . 2 . . . . . . . . 5181 1 122 . 1 1 11 11 GLU CG C 13 37.8 0.2 . 1 . . . . . . . . 5181 1 123 . 1 1 11 11 GLU HG3 H 1 2.430 0.005 . 2 . . . . . . . . 5181 1 124 . 1 1 11 11 GLU HG2 H 1 2.740 0.005 . 2 . . . . . . . . 5181 1 125 . 1 1 12 12 SER N N 15 114.0 0.2 . 1 . . . . . . . . 5181 1 126 . 1 1 12 12 SER H H 1 8.835 0.005 . 1 . . . . . . . . 5181 1 127 . 1 1 12 12 SER C C 13 174.2 0.2 . 1 . . . . . . . . 5181 1 128 . 1 1 12 12 SER CA C 13 58.8 0.2 . 1 . . . . . . . . 5181 1 129 . 1 1 12 12 SER HA H 1 4.557 0.005 . 1 . . . . . . . . 5181 1 130 . 1 1 12 12 SER CB C 13 63.4 0.2 . 1 . . . . . . . . 5181 1 131 . 1 1 12 12 SER HB3 H 1 3.725 0.005 . 2 . . . . . . . . 5181 1 132 . 1 1 12 12 SER HB2 H 1 3.993 0.005 . 2 . . . . . . . . 5181 1 133 . 1 1 13 13 THR N N 15 123.0 0.2 . 1 . . . . . . . . 5181 1 134 . 1 1 13 13 THR H H 1 7.823 0.005 . 1 . . . . . . . . 5181 1 135 . 1 1 13 13 THR C C 13 172.1 0.2 . 1 . . . . . . . . 5181 1 136 . 1 1 13 13 THR CA C 13 60.9 0.2 . 1 . . . . . . . . 5181 1 137 . 1 1 13 13 THR HA H 1 4.821 0.005 . 1 . . . . . . . . 5181 1 138 . 1 1 13 13 THR CB C 13 71.5 0.2 . 1 . . . . . . . . 5181 1 139 . 1 1 13 13 THR HB H 1 4.110 0.005 . 1 . . . . . . . . 5181 1 140 . 1 1 13 13 THR CG2 C 13 23.5 0.2 . 1 . . . . . . . . 5181 1 141 . 1 1 13 13 THR HG21 H 1 1.680 0.005 . 1 . . . . . . . . 5181 1 142 . 1 1 13 13 THR HG22 H 1 1.680 0.005 . 1 . . . . . . . . 5181 1 143 . 1 1 13 13 THR HG23 H 1 1.680 0.005 . 1 . . . . . . . . 5181 1 144 . 1 1 13 13 THR HG1 H 1 5.040 0.005 . 1 . . . . . . . . 5181 1 145 . 1 1 14 14 PRO C C 13 175.8 0.2 . 1 . . . . . . . . 5181 1 146 . 1 1 14 14 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 5181 1 147 . 1 1 14 14 PRO HA H 1 4.320 0.005 . 1 . . . . . . . . 5181 1 148 . 1 1 14 14 PRO CB C 13 32.0 0.2 . 1 . . . . . . . . 5181 1 149 . 1 1 14 14 PRO HB3 H 1 1.918 0.005 . 2 . . . . . . . . 5181 1 150 . 1 1 14 14 PRO HB2 H 1 2.371 0.005 . 2 . . . . . . . . 5181 1 151 . 1 1 14 14 PRO CG C 13 28.0 0.2 . 1 . . . . . . . . 5181 1 152 . 1 1 14 14 PRO HG3 H 1 2.040 0.005 . 2 . . . . . . . . 5181 1 153 . 1 1 14 14 PRO HG2 H 1 2.150 0.005 . 2 . . . . . . . . 5181 1 154 . 1 1 14 14 PRO CD C 13 51.6 0.2 . 1 . . . . . . . . 5181 1 155 . 1 1 14 14 PRO HD3 H 1 3.880 0.005 . 2 . . . . . . . . 5181 1 156 . 1 1 14 14 PRO HD2 H 1 4.040 0.005 . 2 . . . . . . . . 5181 1 157 . 1 1 15 15 ALA N N 15 123.2 0.2 . 1 . . . . . . . . 5181 1 158 . 1 1 15 15 ALA H H 1 8.413 0.005 . 1 . . . . . . . . 5181 1 159 . 1 1 15 15 ALA C C 13 177.7 0.2 . 1 . . . . . . . . 5181 1 160 . 1 1 15 15 ALA CA C 13 52.5 0.2 . 1 . . . . . . . . 5181 1 161 . 1 1 15 15 ALA HA H 1 4.066 0.005 . 1 . . . . . . . . 5181 1 162 . 1 1 15 15 ALA CB C 13 19.2 0.2 . 1 . . . . . . . . 5181 1 163 . 1 1 15 15 ALA HB1 H 1 1.397 0.005 . 1 . . . . . . . . 5181 1 164 . 1 1 15 15 ALA HB2 H 1 1.397 0.005 . 1 . . . . . . . . 5181 1 165 . 1 1 15 15 ALA HB3 H 1 1.397 0.005 . 1 . . . . . . . . 5181 1 166 . 1 1 16 16 GLY N N 15 109.6 0.2 . 1 . . . . . . . . 5181 1 167 . 1 1 16 16 GLY H H 1 9.022 0.005 . 1 . . . . . . . . 5181 1 168 . 1 1 16 16 GLY C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 169 . 1 1 16 16 GLY CA C 13 44.2 0.2 . 1 . . . . . . . . 5181 1 170 . 1 1 16 16 GLY HA3 H 1 3.978 0.005 . 2 . . . . . . . . 5181 1 171 . 1 1 16 16 GLY HA2 H 1 4.687 0.005 . 2 . . . . . . . . 5181 1 172 . 1 1 17 17 VAL N N 15 124.3 0.2 . 1 . . . . . . . . 5181 1 173 . 1 1 17 17 VAL H H 1 8.714 0.005 . 1 . . . . . . . . 5181 1 174 . 1 1 17 17 VAL C C 13 175.8 0.2 . 1 . . . . . . . . 5181 1 175 . 1 1 17 17 VAL CA C 13 64.2 0.2 . 1 . . . . . . . . 5181 1 176 . 1 1 17 17 VAL HA H 1 3.976 0.005 . 1 . . . . . . . . 5181 1 177 . 1 1 17 17 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 5181 1 178 . 1 1 17 17 VAL HB H 1 1.939 0.005 . 1 . . . . . . . . 5181 1 179 . 1 1 17 17 VAL CG1 C 13 21.1 0.2 . 1 . . . . . . . . 5181 1 180 . 1 1 17 17 VAL HG11 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 181 . 1 1 17 17 VAL HG12 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 182 . 1 1 17 17 VAL HG13 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 183 . 1 1 17 17 VAL CG2 C 13 22.4 0.2 . 1 . . . . . . . . 5181 1 184 . 1 1 17 17 VAL HG21 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 185 . 1 1 17 17 VAL HG22 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 186 . 1 1 17 17 VAL HG23 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 187 . 1 1 18 18 VAL N N 15 129.3 0.2 . 1 . . . . . . . . 5181 1 188 . 1 1 18 18 VAL H H 1 8.870 0.005 . 1 . . . . . . . . 5181 1 189 . 1 1 18 18 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 5181 1 190 . 1 1 18 18 VAL CA C 13 63.1 0.2 . 1 . . . . . . . . 5181 1 191 . 1 1 18 18 VAL HA H 1 3.800 0.005 . 1 . . . . . . . . 5181 1 192 . 1 1 18 18 VAL CB C 13 32.1 0.2 . 1 . . . . . . . . 5181 1 193 . 1 1 18 18 VAL HB H 1 1.906 0.005 . 1 . . . . . . . . 5181 1 194 . 1 1 18 18 VAL CG2 C 13 20.1 0.2 . 1 . . . . . . . . 5181 1 195 . 1 1 18 18 VAL HG21 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 196 . 1 1 18 18 VAL HG22 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 197 . 1 1 18 18 VAL HG23 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 198 . 1 1 18 18 VAL CG1 C 13 22.3 0.2 . 1 . . . . . . . . 5181 1 199 . 1 1 18 18 VAL HG11 H 1 0.790 0.005 . 1 . . . . . . . . 5181 1 200 . 1 1 18 18 VAL HG12 H 1 0.790 0.005 . 1 . . . . . . . . 5181 1 201 . 1 1 18 18 VAL HG13 H 1 0.790 0.005 . 1 . . . . . . . . 5181 1 202 . 1 1 19 19 THR N N 15 117.5 0.2 . 1 . . . . . . . . 5181 1 203 . 1 1 19 19 THR H H 1 8.460 0.005 . 1 . . . . . . . . 5181 1 204 . 1 1 19 19 THR C C 13 174.7 0.2 . 1 . . . . . . . . 5181 1 205 . 1 1 19 19 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5181 1 206 . 1 1 19 19 THR HA H 1 4.538 0.005 . 1 . . . . . . . . 5181 1 207 . 1 1 19 19 THR CB C 13 69.5 0.2 . 1 . . . . . . . . 5181 1 208 . 1 1 19 19 THR HB H 1 4.324 0.005 . 1 . . . . . . . . 5181 1 209 . 1 1 19 19 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 210 . 1 1 19 19 THR HG21 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 211 . 1 1 19 19 THR HG22 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 212 . 1 1 19 19 THR HG23 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 213 . 1 1 20 20 ASP N N 15 124.4 0.2 . 1 . . . . . . . . 5181 1 214 . 1 1 20 20 ASP H H 1 7.873 0.005 . 1 . . . . . . . . 5181 1 215 . 1 1 20 20 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 5181 1 216 . 1 1 20 20 ASP CA C 13 52.1 0.2 . 1 . . . . . . . . 5181 1 217 . 1 1 20 20 ASP HA H 1 4.872 0.005 . 1 . . . . . . . . 5181 1 218 . 1 1 20 20 ASP CB C 13 40.2 0.2 . 1 . . . . . . . . 5181 1 219 . 1 1 20 20 ASP HB3 H 1 2.501 0.005 . 2 . . . . . . . . 5181 1 220 . 1 1 20 20 ASP HB2 H 1 2.791 0.005 . 2 . . . . . . . . 5181 1 221 . 1 1 21 21 LEU N N 15 123.2 0.2 . 1 . . . . . . . . 5181 1 222 . 1 1 21 21 LEU H H 1 8.248 0.005 . 1 . . . . . . . . 5181 1 223 . 1 1 21 21 LEU C C 13 179.3 0.2 . 1 . . . . . . . . 5181 1 224 . 1 1 21 21 LEU CA C 13 58.5 0.2 . 1 . . . . . . . . 5181 1 225 . 1 1 21 21 LEU HA H 1 3.831 0.005 . 1 . . . . . . . . 5181 1 226 . 1 1 21 21 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 5181 1 227 . 1 1 21 21 LEU HB3 H 1 1.670 0.005 . 2 . . . . . . . . 5181 1 228 . 1 1 21 21 LEU HB2 H 1 2.050 0.005 . 2 . . . . . . . . 5181 1 229 . 1 1 21 21 LEU CG C 13 28.1 0.2 . 1 . . . . . . . . 5181 1 230 . 1 1 21 21 LEU HG H 1 1.720 0.005 . 1 . . . . . . . . 5181 1 231 . 1 1 21 21 LEU CD2 C 13 23.1 0.2 . 1 . . . . . . . . 5181 1 232 . 1 1 21 21 LEU HD21 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 233 . 1 1 21 21 LEU HD22 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 234 . 1 1 21 21 LEU HD23 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 235 . 1 1 21 21 LEU CD1 C 13 25.7 0.2 . 1 . . . . . . . . 5181 1 236 . 1 1 21 21 LEU HD11 H 1 0.990 0.005 . 1 . . . . . . . . 5181 1 237 . 1 1 21 21 LEU HD12 H 1 0.990 0.005 . 1 . . . . . . . . 5181 1 238 . 1 1 21 21 LEU HD13 H 1 0.990 0.005 . 1 . . . . . . . . 5181 1 239 . 1 1 22 22 ALA N N 15 120.6 0.2 . 1 . . . . . . . . 5181 1 240 . 1 1 22 22 ALA H H 1 8.113 0.005 . 1 . . . . . . . . 5181 1 241 . 1 1 22 22 ALA C C 13 180.1 0.2 . 1 . . . . . . . . 5181 1 242 . 1 1 22 22 ALA CA C 13 55.4 0.2 . 1 . . . . . . . . 5181 1 243 . 1 1 22 22 ALA HA H 1 4.521 0.005 . 1 . . . . . . . . 5181 1 244 . 1 1 22 22 ALA CB C 13 20.0 0.2 . 1 . . . . . . . . 5181 1 245 . 1 1 22 22 ALA HB1 H 1 1.639 0.005 . 1 . . . . . . . . 5181 1 246 . 1 1 22 22 ALA HB2 H 1 1.639 0.005 . 1 . . . . . . . . 5181 1 247 . 1 1 22 22 ALA HB3 H 1 1.639 0.005 . 1 . . . . . . . . 5181 1 248 . 1 1 23 23 GLU N N 15 117.7 0.2 . 1 . . . . . . . . 5181 1 249 . 1 1 23 23 GLU H H 1 8.195 0.005 . 1 . . . . . . . . 5181 1 250 . 1 1 23 23 GLU C C 13 177.1 0.2 . 1 . . . . . . . . 5181 1 251 . 1 1 23 23 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5181 1 252 . 1 1 23 23 GLU HA H 1 5.221 0.005 . 1 . . . . . . . . 5181 1 253 . 1 1 23 23 GLU CB C 13 31.7 0.2 . 1 . . . . . . . . 5181 1 254 . 1 1 23 23 GLU HB3 H 1 2.031 0.005 . 2 . . . . . . . . 5181 1 255 . 1 1 23 23 GLU HB2 H 1 2.358 0.005 . 2 . . . . . . . . 5181 1 256 . 1 1 23 23 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5181 1 257 . 1 1 23 23 GLU HG3 H 1 2.180 0.005 . 2 . . . . . . . . 5181 1 258 . 1 1 23 23 GLU HG2 H 1 2.370 0.005 . 2 . . . . . . . . 5181 1 259 . 1 1 24 24 GLY N N 15 111.2 0.2 . 1 . . . . . . . . 5181 1 260 . 1 1 24 24 GLY H H 1 8.380 0.005 . 1 . . . . . . . . 5181 1 261 . 1 1 24 24 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 5181 1 262 . 1 1 24 24 GLY CA C 13 47.1 0.2 . 1 . . . . . . . . 5181 1 263 . 1 1 24 24 GLY HA3 H 1 4.022 0.005 . 2 . . . . . . . . 5181 1 264 . 1 1 24 24 GLY HA2 H 1 4.265 0.005 . 2 . . . . . . . . 5181 1 265 . 1 1 25 25 VAL N N 15 122.6 0.2 . 1 . . . . . . . . 5181 1 266 . 1 1 25 25 VAL H H 1 9.078 0.005 . 1 . . . . . . . . 5181 1 267 . 1 1 25 25 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 5181 1 268 . 1 1 25 25 VAL CA C 13 60.6 0.2 . 1 . . . . . . . . 5181 1 269 . 1 1 25 25 VAL HA H 1 4.309 0.005 . 1 . . . . . . . . 5181 1 270 . 1 1 25 25 VAL CB C 13 32.4 0.2 . 1 . . . . . . . . 5181 1 271 . 1 1 25 25 VAL HB H 1 2.438 0.005 . 1 . . . . . . . . 5181 1 272 . 1 1 25 25 VAL CG2 C 13 21.7 0.2 . 1 . . . . . . . . 5181 1 273 . 1 1 25 25 VAL HG21 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 274 . 1 1 25 25 VAL HG22 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 275 . 1 1 25 25 VAL HG23 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 276 . 1 1 25 25 VAL CG1 C 13 22.6 0.2 . 1 . . . . . . . . 5181 1 277 . 1 1 25 25 VAL HG11 H 1 1.140 0.005 . 1 . . . . . . . . 5181 1 278 . 1 1 25 25 VAL HG12 H 1 1.140 0.005 . 1 . . . . . . . . 5181 1 279 . 1 1 25 25 VAL HG13 H 1 1.140 0.005 . 1 . . . . . . . . 5181 1 280 . 1 1 26 26 GLU N N 15 132.3 0.2 . 1 . . . . . . . . 5181 1 281 . 1 1 26 26 GLU H H 1 8.993 0.005 . 1 . . . . . . . . 5181 1 282 . 1 1 26 26 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 5181 1 283 . 1 1 26 26 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 5181 1 284 . 1 1 26 26 GLU HA H 1 4.160 0.005 . 1 . . . . . . . . 5181 1 285 . 1 1 26 26 GLU CB C 13 29.9 0.2 . 1 . . . . . . . . 5181 1 286 . 1 1 26 26 GLU HB3 H 1 1.899 0.005 . 2 . . . . . . . . 5181 1 287 . 1 1 26 26 GLU HB2 H 1 2.142 0.005 . 2 . . . . . . . . 5181 1 288 . 1 1 26 26 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5181 1 289 . 1 1 26 26 GLU HG3 H 1 2.140 0.005 . 2 . . . . . . . . 5181 1 290 . 1 1 26 26 GLU HG2 H 1 2.320 0.005 . 2 . . . . . . . . 5181 1 291 . 1 1 27 27 GLY N N 15 112.5 0.2 . 1 . . . . . . . . 5181 1 292 . 1 1 27 27 GLY H H 1 9.055 0.005 . 1 . . . . . . . . 5181 1 293 . 1 1 27 27 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5181 1 294 . 1 1 27 27 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 5181 1 295 . 1 1 27 27 GLY HA3 H 1 3.430 0.005 . 2 . . . . . . . . 5181 1 296 . 1 1 27 27 GLY HA2 H 1 4.459 0.005 . 2 . . . . . . . . 5181 1 297 . 1 1 28 28 TRP N N 15 116.8 0.2 . 1 . . . . . . . . 5181 1 298 . 1 1 28 28 TRP H H 1 8.173 0.005 . 1 . . . . . . . . 5181 1 299 . 1 1 28 28 TRP C C 13 177.4 0.2 . 1 . . . . . . . . 5181 1 300 . 1 1 28 28 TRP CA C 13 56.6 0.2 . 1 . . . . . . . . 5181 1 301 . 1 1 28 28 TRP HA H 1 5.596 0.005 . 1 . . . . . . . . 5181 1 302 . 1 1 28 28 TRP CB C 13 33.6 0.2 . 1 . . . . . . . . 5181 1 303 . 1 1 28 28 TRP HB3 H 1 3.010 0.005 . 2 . . . . . . . . 5181 1 304 . 1 1 28 28 TRP HB2 H 1 3.070 0.005 . 2 . . . . . . . . 5181 1 305 . 1 1 28 28 TRP CD1 C 13 129.8 0.2 . 1 . . . . . . . . 5181 1 306 . 1 1 28 28 TRP HD1 H 1 7.880 0.005 . 1 . . . . . . . . 5181 1 307 . 1 1 28 28 TRP NE1 N 15 130.6 0.2 . 1 . . . . . . . . 5181 1 308 . 1 1 28 28 TRP HE1 H 1 9.160 0.005 . 1 . . . . . . . . 5181 1 309 . 1 1 28 28 TRP CZ2 C 13 115.7 0.2 . 1 . . . . . . . . 5181 1 310 . 1 1 28 28 TRP HZ2 H 1 7.370 0.005 . 1 . . . . . . . . 5181 1 311 . 1 1 29 29 ASP N N 15 127.5 0.2 . 1 . . . . . . . . 5181 1 312 . 1 1 29 29 ASP H H 1 10.348 0.005 . 1 . . . . . . . . 5181 1 313 . 1 1 29 29 ASP C C 13 173.9 0.2 . 1 . . . . . . . . 5181 1 314 . 1 1 29 29 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 5181 1 315 . 1 1 29 29 ASP HA H 1 5.003 0.005 . 1 . . . . . . . . 5181 1 316 . 1 1 29 29 ASP CB C 13 43.1 0.2 . 1 . . . . . . . . 5181 1 317 . 1 1 29 29 ASP HB3 H 1 2.638 0.005 . 2 . . . . . . . . 5181 1 318 . 1 1 29 29 ASP HB2 H 1 2.788 0.005 . 2 . . . . . . . . 5181 1 319 . 1 1 30 30 LEU N N 15 126.3 0.2 . 1 . . . . . . . . 5181 1 320 . 1 1 30 30 LEU H H 1 8.108 0.005 . 1 . . . . . . . . 5181 1 321 . 1 1 30 30 LEU C C 13 174.9 0.2 . 1 . . . . . . . . 5181 1 322 . 1 1 30 30 LEU CA C 13 53.6 0.2 . 1 . . . . . . . . 5181 1 323 . 1 1 30 30 LEU HA H 1 5.163 0.005 . 1 . . . . . . . . 5181 1 324 . 1 1 30 30 LEU CB C 13 40.1 0.2 . 1 . . . . . . . . 5181 1 325 . 1 1 30 30 LEU HB3 H 1 0.351 0.005 . 2 . . . . . . . . 5181 1 326 . 1 1 30 30 LEU HB2 H 1 1.673 0.005 . 2 . . . . . . . . 5181 1 327 . 1 1 30 30 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 5181 1 328 . 1 1 30 30 LEU HG H 1 1.670 0.005 . 1 . . . . . . . . 5181 1 329 . 1 1 30 30 LEU CD2 C 13 23.5 0.2 . 1 . . . . . . . . 5181 1 330 . 1 1 30 30 LEU HD21 H 1 0.590 0.005 . 1 . . . . . . . . 5181 1 331 . 1 1 30 30 LEU HD22 H 1 0.590 0.005 . 1 . . . . . . . . 5181 1 332 . 1 1 30 30 LEU HD23 H 1 0.590 0.005 . 1 . . . . . . . . 5181 1 333 . 1 1 30 30 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . 5181 1 334 . 1 1 30 30 LEU HD11 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 335 . 1 1 30 30 LEU HD12 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 336 . 1 1 30 30 LEU HD13 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 337 . 1 1 31 31 ASN N N 15 119.2 0.2 . 1 . . . . . . . . 5181 1 338 . 1 1 31 31 ASN H H 1 8.953 0.005 . 1 . . . . . . . . 5181 1 339 . 1 1 31 31 ASN C C 13 173.0 0.2 . 1 . . . . . . . . 5181 1 340 . 1 1 31 31 ASN CA C 13 53.6 0.2 . 1 . . . . . . . . 5181 1 341 . 1 1 31 31 ASN HA H 1 5.152 0.005 . 1 . . . . . . . . 5181 1 342 . 1 1 31 31 ASN CB C 13 43.4 0.2 . 1 . . . . . . . . 5181 1 343 . 1 1 31 31 ASN HB3 H 1 2.720 0.005 . 2 . . . . . . . . 5181 1 344 . 1 1 31 31 ASN HB2 H 1 2.810 0.005 . 2 . . . . . . . . 5181 1 345 . 1 1 31 31 ASN ND2 N 15 114.8 0.2 . 1 . . . . . . . . 5181 1 346 . 1 1 31 31 ASN HD21 H 1 7.040 0.005 . 2 . . . . . . . . 5181 1 347 . 1 1 31 31 ASN HD22 H 1 8.060 0.005 . 2 . . . . . . . . 5181 1 348 . 1 1 32 32 VAL N N 15 122.5 0.2 . 1 . . . . . . . . 5181 1 349 . 1 1 32 32 VAL H H 1 7.986 0.005 . 1 . . . . . . . . 5181 1 350 . 1 1 32 32 VAL C C 13 176.7 0.2 . 1 . . . . . . . . 5181 1 351 . 1 1 32 32 VAL CA C 13 60.5 0.2 . 1 . . . . . . . . 5181 1 352 . 1 1 32 32 VAL HA H 1 4.904 0.005 . 1 . . . . . . . . 5181 1 353 . 1 1 32 32 VAL CB C 13 34.5 0.2 . 1 . . . . . . . . 5181 1 354 . 1 1 32 32 VAL HB H 1 2.062 0.005 . 1 . . . . . . . . 5181 1 355 . 1 1 32 32 VAL CG1 C 13 21.7 0.2 . 1 . . . . . . . . 5181 1 356 . 1 1 32 32 VAL HG11 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 357 . 1 1 32 32 VAL HG12 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 358 . 1 1 32 32 VAL HG13 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 359 . 1 1 32 32 VAL CG2 C 13 22.9 0.2 . 1 . . . . . . . . 5181 1 360 . 1 1 32 32 VAL HG21 H 1 1.170 0.005 . 1 . . . . . . . . 5181 1 361 . 1 1 32 32 VAL HG22 H 1 1.170 0.005 . 1 . . . . . . . . 5181 1 362 . 1 1 32 32 VAL HG23 H 1 1.170 0.005 . 1 . . . . . . . . 5181 1 363 . 1 1 33 33 GLY N N 15 115.5 0.2 . 1 . . . . . . . . 5181 1 364 . 1 1 33 33 GLY H H 1 9.979 0.005 . 1 . . . . . . . . 5181 1 365 . 1 1 33 33 GLY C C 13 175.4 0.2 . 1 . . . . . . . . 5181 1 366 . 1 1 33 33 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5181 1 367 . 1 1 33 33 GLY HA3 H 1 4.071 0.005 . 2 . . . . . . . . 5181 1 368 . 1 1 33 33 GLY HA2 H 1 4.343 0.005 . 2 . . . . . . . . 5181 1 369 . 1 1 34 34 SER N N 15 117.8 0.2 . 1 . . . . . . . . 5181 1 370 . 1 1 34 34 SER H H 1 8.698 0.005 . 1 . . . . . . . . 5181 1 371 . 1 1 34 34 SER C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 372 . 1 1 34 34 SER CA C 13 60.7 0.2 . 1 . . . . . . . . 5181 1 373 . 1 1 34 34 SER HA H 1 4.210 0.005 . 1 . . . . . . . . 5181 1 374 . 1 1 34 34 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 5181 1 375 . 1 1 34 34 SER HB3 H 1 3.970 0.005 . 1 . . . . . . . . 5181 1 376 . 1 1 34 34 SER HB2 H 1 3.970 0.005 . 1 . . . . . . . . 5181 1 377 . 1 1 35 35 SER N N 15 113.8 0.2 . 1 . . . . . . . . 5181 1 378 . 1 1 35 35 SER H H 1 8.226 0.005 . 1 . . . . . . . . 5181 1 379 . 1 1 35 35 SER C C 13 174.3 0.2 . 1 . . . . . . . . 5181 1 380 . 1 1 35 35 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 5181 1 381 . 1 1 35 35 SER HA H 1 4.196 0.005 . 1 . . . . . . . . 5181 1 382 . 1 1 35 35 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 5181 1 383 . 1 1 35 35 SER HB3 H 1 3.780 0.005 . 2 . . . . . . . . 5181 1 384 . 1 1 35 35 SER HB2 H 1 3.820 0.005 . 2 . . . . . . . . 5181 1 385 . 1 1 36 36 VAL N N 15 123.1 0.2 . 1 . . . . . . . . 5181 1 386 . 1 1 36 36 VAL H H 1 7.234 0.005 . 1 . . . . . . . . 5181 1 387 . 1 1 36 36 VAL C C 13 175.9 0.2 . 1 . . . . . . . . 5181 1 388 . 1 1 36 36 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 5181 1 389 . 1 1 36 36 VAL HA H 1 3.544 0.005 . 1 . . . . . . . . 5181 1 390 . 1 1 36 36 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 5181 1 391 . 1 1 36 36 VAL HB H 1 2.076 0.005 . 1 . . . . . . . . 5181 1 392 . 1 1 36 36 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 5181 1 393 . 1 1 36 36 VAL HG11 H 1 0.510 0.005 . 1 . . . . . . . . 5181 1 394 . 1 1 36 36 VAL HG12 H 1 0.510 0.005 . 1 . . . . . . . . 5181 1 395 . 1 1 36 36 VAL HG13 H 1 0.510 0.005 . 1 . . . . . . . . 5181 1 396 . 1 1 36 36 VAL CG2 C 13 22.1 0.2 . 1 . . . . . . . . 5181 1 397 . 1 1 36 36 VAL HG21 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 398 . 1 1 36 36 VAL HG22 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 399 . 1 1 36 36 VAL HG23 H 1 0.730 0.005 . 1 . . . . . . . . 5181 1 400 . 1 1 37 37 THR N N 15 120.2 0.2 . 1 . . . . . . . . 5181 1 401 . 1 1 37 37 THR H H 1 7.991 0.005 . 1 . . . . . . . . 5181 1 402 . 1 1 37 37 THR C C 13 174.5 0.2 . 1 . . . . . . . . 5181 1 403 . 1 1 37 37 THR CA C 13 63.7 0.2 . 1 . . . . . . . . 5181 1 404 . 1 1 37 37 THR HA H 1 4.125 0.005 . 1 . . . . . . . . 5181 1 405 . 1 1 37 37 THR CB C 13 69.1 0.2 . 1 . . . . . . . . 5181 1 406 . 1 1 37 37 THR HB H 1 4.193 0.005 . 1 . . . . . . . . 5181 1 407 . 1 1 37 37 THR CG2 C 13 22.1 0.2 . 1 . . . . . . . . 5181 1 408 . 1 1 37 37 THR HG21 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 409 . 1 1 37 37 THR HG22 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 410 . 1 1 37 37 THR HG23 H 1 1.210 0.005 . 1 . . . . . . . . 5181 1 411 . 1 1 38 38 ASN N N 15 120.5 0.2 . 1 . . . . . . . . 5181 1 412 . 1 1 38 38 ASN H H 1 7.208 0.005 . 1 . . . . . . . . 5181 1 413 . 1 1 38 38 ASN C C 13 171.8 0.2 . 1 . . . . . . . . 5181 1 414 . 1 1 38 38 ASN CA C 13 49.8 0.2 . 1 . . . . . . . . 5181 1 415 . 1 1 38 38 ASN HA H 1 5.223 0.005 . 1 . . . . . . . . 5181 1 416 . 1 1 38 38 ASN CB C 13 39.6 0.2 . 1 . . . . . . . . 5181 1 417 . 1 1 38 38 ASN HB3 H 1 2.380 0.005 . 2 . . . . . . . . 5181 1 418 . 1 1 38 38 ASN HB2 H 1 2.530 0.005 . 2 . . . . . . . . 5181 1 419 . 1 1 38 38 ASN ND2 N 15 111.0 0.2 . 1 . . . . . . . . 5181 1 420 . 1 1 38 38 ASN HD21 H 1 6.780 0.005 . 2 . . . . . . . . 5181 1 421 . 1 1 38 38 ASN HD22 H 1 7.190 0.005 . 2 . . . . . . . . 5181 1 422 . 1 1 39 39 PRO CA C 13 61.8 0.2 . 1 . . . . . . . . 5181 1 423 . 1 1 39 39 PRO HA H 1 4.200 0.005 . 1 . . . . . . . . 5181 1 424 . 1 1 39 39 PRO CB C 13 31.3 0.2 . 1 . . . . . . . . 5181 1 425 . 1 1 39 39 PRO HB3 H 1 1.990 0.005 . 2 . . . . . . . . 5181 1 426 . 1 1 39 39 PRO HB2 H 1 2.420 0.005 . 2 . . . . . . . . 5181 1 427 . 1 1 39 39 PRO CG C 13 27.0 0.2 . 1 . . . . . . . . 5181 1 428 . 1 1 39 39 PRO HG3 H 1 2.000 0.005 . 2 . . . . . . . . 5181 1 429 . 1 1 39 39 PRO HG2 H 1 2.080 0.005 . 2 . . . . . . . . 5181 1 430 . 1 1 39 39 PRO CD C 13 51.4 0.2 . 1 . . . . . . . . 5181 1 431 . 1 1 39 39 PRO HD3 H 1 3.790 0.005 . 1 . . . . . . . . 5181 1 432 . 1 1 39 39 PRO HD2 H 1 3.790 0.005 . 1 . . . . . . . . 5181 1 433 . 1 1 40 40 PRO C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 434 . 1 1 40 40 PRO CA C 13 62.7 0.2 . 1 . . . . . . . . 5181 1 435 . 1 1 40 40 PRO HA H 1 4.823 0.005 . 1 . . . . . . . . 5181 1 436 . 1 1 40 40 PRO CB C 13 33.0 0.2 . 1 . . . . . . . . 5181 1 437 . 1 1 40 40 PRO HB3 H 1 1.165 0.005 . 2 . . . . . . . . 5181 1 438 . 1 1 40 40 PRO HB2 H 1 2.150 0.005 . 2 . . . . . . . . 5181 1 439 . 1 1 40 40 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 5181 1 440 . 1 1 40 40 PRO HG3 H 1 1.760 0.005 . 2 . . . . . . . . 5181 1 441 . 1 1 40 40 PRO HG2 H 1 1.860 0.005 . 2 . . . . . . . . 5181 1 442 . 1 1 40 40 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 5181 1 443 . 1 1 40 40 PRO HD3 H 1 3.600 0.005 . 2 . . . . . . . . 5181 1 444 . 1 1 40 40 PRO HD2 H 1 3.700 0.005 . 2 . . . . . . . . 5181 1 445 . 1 1 41 41 VAL N N 15 118.1 0.2 . 1 . . . . . . . . 5181 1 446 . 1 1 41 41 VAL H H 1 7.884 0.005 . 1 . . . . . . . . 5181 1 447 . 1 1 41 41 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 5181 1 448 . 1 1 41 41 VAL CA C 13 62.2 0.2 . 1 . . . . . . . . 5181 1 449 . 1 1 41 41 VAL HA H 1 4.130 0.005 . 1 . . . . . . . . 5181 1 450 . 1 1 41 41 VAL CB C 13 34.6 0.2 . 1 . . . . . . . . 5181 1 451 . 1 1 41 41 VAL HB H 1 1.732 0.005 . 1 . . . . . . . . 5181 1 452 . 1 1 41 41 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 5181 1 453 . 1 1 41 41 VAL HG21 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 454 . 1 1 41 41 VAL HG22 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 455 . 1 1 41 41 VAL HG23 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 456 . 1 1 41 41 VAL CG1 C 13 21.6 0.2 . 1 . . . . . . . . 5181 1 457 . 1 1 41 41 VAL HG11 H 1 0.880 0.005 . 1 . . . . . . . . 5181 1 458 . 1 1 41 41 VAL HG12 H 1 0.880 0.005 . 1 . . . . . . . . 5181 1 459 . 1 1 41 41 VAL HG13 H 1 0.880 0.005 . 1 . . . . . . . . 5181 1 460 . 1 1 42 42 PHE N N 15 126.8 0.2 . 1 . . . . . . . . 5181 1 461 . 1 1 42 42 PHE H H 1 9.060 0.005 . 1 . . . . . . . . 5181 1 462 . 1 1 42 42 PHE C C 13 174.6 0.2 . 1 . . . . . . . . 5181 1 463 . 1 1 42 42 PHE CA C 13 56.1 0.2 . 1 . . . . . . . . 5181 1 464 . 1 1 42 42 PHE HA H 1 5.288 0.005 . 1 . . . . . . . . 5181 1 465 . 1 1 42 42 PHE CB C 13 41.2 0.2 . 1 . . . . . . . . 5181 1 466 . 1 1 42 42 PHE HB3 H 1 2.534 0.005 . 1 . . . . . . . . 5181 1 467 . 1 1 42 42 PHE HB2 H 1 2.920 0.005 . 1 . . . . . . . . 5181 1 468 . 1 1 42 42 PHE CD1 C 13 133.2 0.2 . 1 . . . . . . . . 5181 1 469 . 1 1 42 42 PHE CD2 C 13 133.2 0.2 . 1 . . . . . . . . 5181 1 470 . 1 1 42 42 PHE HD1 H 1 7.100 0.005 . 1 . . . . . . . . 5181 1 471 . 1 1 42 42 PHE HD2 H 1 7.100 0.005 . 1 . . . . . . . . 5181 1 472 . 1 1 42 42 PHE CE1 C 13 131.0 0.2 . 1 . . . . . . . . 5181 1 473 . 1 1 42 42 PHE CE2 C 13 131.0 0.2 . 1 . . . . . . . . 5181 1 474 . 1 1 42 42 PHE HE1 H 1 6.950 0.005 . 1 . . . . . . . . 5181 1 475 . 1 1 42 42 PHE HE2 H 1 6.950 0.005 . 1 . . . . . . . . 5181 1 476 . 1 1 43 43 GLU N N 15 123.4 0.2 . 1 . . . . . . . . 5181 1 477 . 1 1 43 43 GLU H H 1 9.341 0.005 . 1 . . . . . . . . 5181 1 478 . 1 1 43 43 GLU C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 479 . 1 1 43 43 GLU CA C 13 55.2 0.2 . 1 . . . . . . . . 5181 1 480 . 1 1 43 43 GLU HA H 1 4.785 0.005 . 1 . . . . . . . . 5181 1 481 . 1 1 43 43 GLU CB C 13 34.1 0.2 . 1 . . . . . . . . 5181 1 482 . 1 1 43 43 GLU HB3 H 1 1.729 0.005 . 2 . . . . . . . . 5181 1 483 . 1 1 43 43 GLU HB2 H 1 1.829 0.005 . 2 . . . . . . . . 5181 1 484 . 1 1 43 43 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 5181 1 485 . 1 1 43 43 GLU HG3 H 1 1.830 0.005 . 1 . . . . . . . . 5181 1 486 . 1 1 43 43 GLU HG2 H 1 1.830 0.005 . 1 . . . . . . . . 5181 1 487 . 1 1 44 44 VAL N N 15 126.9 0.2 . 1 . . . . . . . . 5181 1 488 . 1 1 44 44 VAL H H 1 8.032 0.005 . 1 . . . . . . . . 5181 1 489 . 1 1 44 44 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 5181 1 490 . 1 1 44 44 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 5181 1 491 . 1 1 44 44 VAL HA H 1 4.660 0.005 . 1 . . . . . . . . 5181 1 492 . 1 1 44 44 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 5181 1 493 . 1 1 44 44 VAL HB H 1 2.203 0.005 . 1 . . . . . . . . 5181 1 494 . 1 1 44 44 VAL CG1 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 495 . 1 1 44 44 VAL HG11 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 496 . 1 1 44 44 VAL HG12 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 497 . 1 1 44 44 VAL HG13 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 498 . 1 1 44 44 VAL CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 499 . 1 1 44 44 VAL HG21 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 500 . 1 1 44 44 VAL HG22 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 501 . 1 1 44 44 VAL HG23 H 1 0.820 0.005 . 1 . . . . . . . . 5181 1 502 . 1 1 45 45 LEU N N 15 131.2 0.2 . 1 . . . . . . . . 5181 1 503 . 1 1 45 45 LEU H H 1 9.007 0.005 . 1 . . . . . . . . 5181 1 504 . 1 1 45 45 LEU C C 13 175.8 0.2 . 1 . . . . . . . . 5181 1 505 . 1 1 45 45 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 5181 1 506 . 1 1 45 45 LEU HA H 1 4.760 0.005 . 1 . . . . . . . . 5181 1 507 . 1 1 45 45 LEU CB C 13 45.9 0.2 . 1 . . . . . . . . 5181 1 508 . 1 1 45 45 LEU HB3 H 1 1.454 0.005 . 2 . . . . . . . . 5181 1 509 . 1 1 45 45 LEU HB2 H 1 1.500 0.005 . 2 . . . . . . . . 5181 1 510 . 1 1 45 45 LEU CG C 13 26.3 0.2 . 1 . . . . . . . . 5181 1 511 . 1 1 45 45 LEU HG H 1 1.440 0.005 . 1 . . . . . . . . 5181 1 512 . 1 1 45 45 LEU CD2 C 13 24.5 0.2 . 1 . . . . . . . . 5181 1 513 . 1 1 45 45 LEU HD21 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 514 . 1 1 45 45 LEU HD22 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 515 . 1 1 45 45 LEU HD23 H 1 0.800 0.005 . 1 . . . . . . . . 5181 1 516 . 1 1 45 45 LEU CD1 C 13 26.0 0.2 . 1 . . . . . . . . 5181 1 517 . 1 1 45 45 LEU HD11 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 518 . 1 1 45 45 LEU HD12 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 519 . 1 1 45 45 LEU HD13 H 1 0.890 0.005 . 1 . . . . . . . . 5181 1 520 . 1 1 46 46 GLU N N 15 123.5 0.2 . 1 . . . . . . . . 5181 1 521 . 1 1 46 46 GLU H H 1 8.644 0.005 . 1 . . . . . . . . 5181 1 522 . 1 1 46 46 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 5181 1 523 . 1 1 46 46 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5181 1 524 . 1 1 46 46 GLU HA H 1 5.197 0.005 . 1 . . . . . . . . 5181 1 525 . 1 1 46 46 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 5181 1 526 . 1 1 46 46 GLU HB3 H 1 1.827 0.005 . 2 . . . . . . . . 5181 1 527 . 1 1 46 46 GLU HB2 H 1 1.993 0.005 . 2 . . . . . . . . 5181 1 528 . 1 1 46 46 GLU CG C 13 37.1 0.2 . 1 . . . . . . . . 5181 1 529 . 1 1 46 46 GLU HG3 H 1 2.080 0.005 . 2 . . . . . . . . 5181 1 530 . 1 1 46 46 GLU HG2 H 1 2.190 0.005 . 2 . . . . . . . . 5181 1 531 . 1 1 47 47 THR N N 15 119.9 0.2 . 1 . . . . . . . . 5181 1 532 . 1 1 47 47 THR H H 1 8.876 0.005 . 1 . . . . . . . . 5181 1 533 . 1 1 47 47 THR C C 13 173.6 0.2 . 1 . . . . . . . . 5181 1 534 . 1 1 47 47 THR CA C 13 59.0 0.2 . 1 . . . . . . . . 5181 1 535 . 1 1 47 47 THR HA H 1 4.846 0.005 . 1 . . . . . . . . 5181 1 536 . 1 1 47 47 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5181 1 537 . 1 1 47 47 THR HB H 1 4.130 0.005 . 1 . . . . . . . . 5181 1 538 . 1 1 47 47 THR CG2 C 13 20.4 0.2 . 1 . . . . . . . . 5181 1 539 . 1 1 47 47 THR HG21 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 540 . 1 1 47 47 THR HG22 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 541 . 1 1 47 47 THR HG23 H 1 1.100 0.005 . 1 . . . . . . . . 5181 1 542 . 1 1 48 48 SER N N 15 122.0 0.2 . 1 . . . . . . . . 5181 1 543 . 1 1 48 48 SER H H 1 8.570 0.005 . 1 . . . . . . . . 5181 1 544 . 1 1 48 48 SER C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 545 . 1 1 48 48 SER CA C 13 59.9 0.2 . 1 . . . . . . . . 5181 1 546 . 1 1 48 48 SER HA H 1 4.409 0.005 . 1 . . . . . . . . 5181 1 547 . 1 1 48 48 SER CB C 13 63.2 0.2 . 1 . . . . . . . . 5181 1 548 . 1 1 48 48 SER HB3 H 1 3.911 0.005 . 2 . . . . . . . . 5181 1 549 . 1 1 48 48 SER HB2 H 1 4.011 0.005 . 2 . . . . . . . . 5181 1 550 . 1 1 49 49 ASP N N 15 121.4 0.2 . 1 . . . . . . . . 5181 1 551 . 1 1 49 49 ASP H H 1 8.338 0.005 . 1 . . . . . . . . 5181 1 552 . 1 1 49 49 ASP C C 13 174.8 0.2 . 1 . . . . . . . . 5181 1 553 . 1 1 49 49 ASP CA C 13 52.9 0.2 . 1 . . . . . . . . 5181 1 554 . 1 1 49 49 ASP HA H 1 4.630 0.005 . 1 . . . . . . . . 5181 1 555 . 1 1 49 49 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 5181 1 556 . 1 1 49 49 ASP HB3 H 1 2.567 0.005 . 2 . . . . . . . . 5181 1 557 . 1 1 49 49 ASP HB2 H 1 2.720 0.005 . 2 . . . . . . . . 5181 1 558 . 1 1 50 50 ALA N N 15 123.1 0.2 . 1 . . . . . . . . 5181 1 559 . 1 1 50 50 ALA H H 1 7.029 0.005 . 1 . . . . . . . . 5181 1 560 . 1 1 50 50 ALA C C 13 176.5 0.2 . 1 . . . . . . . . 5181 1 561 . 1 1 50 50 ALA CA C 13 50.7 0.2 . 1 . . . . . . . . 5181 1 562 . 1 1 50 50 ALA HA H 1 3.535 0.005 . 1 . . . . . . . . 5181 1 563 . 1 1 50 50 ALA CB C 13 18.1 0.2 . 1 . . . . . . . . 5181 1 564 . 1 1 50 50 ALA HB1 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 565 . 1 1 50 50 ALA HB2 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 566 . 1 1 50 50 ALA HB3 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 567 . 1 1 51 51 PRO C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 568 . 1 1 51 51 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 5181 1 569 . 1 1 51 51 PRO HA H 1 3.321 0.005 . 1 . . . . . . . . 5181 1 570 . 1 1 51 51 PRO CB C 13 30.5 0.2 . 1 . . . . . . . . 5181 1 571 . 1 1 51 51 PRO HB3 H 1 0.050 0.005 . 2 . . . . . . . . 5181 1 572 . 1 1 51 51 PRO HB2 H 1 0.190 0.005 . 2 . . . . . . . . 5181 1 573 . 1 1 51 51 PRO CG C 13 26.8 0.2 . 1 . . . . . . . . 5181 1 574 . 1 1 51 51 PRO HG3 H 1 -0.040 0.005 . 2 . . . . . . . . 5181 1 575 . 1 1 51 51 PRO HG2 H 1 0.410 0.005 . 2 . . . . . . . . 5181 1 576 . 1 1 51 51 PRO CD C 13 49.3 0.2 . 1 . . . . . . . . 5181 1 577 . 1 1 51 51 PRO HD3 H 1 1.690 0.005 . 2 . . . . . . . . 5181 1 578 . 1 1 51 51 PRO HD2 H 1 2.850 0.005 . 2 . . . . . . . . 5181 1 579 . 1 1 52 52 GLU N N 15 117.3 0.2 . 1 . . . . . . . . 5181 1 580 . 1 1 52 52 GLU H H 1 7.161 0.005 . 1 . . . . . . . . 5181 1 581 . 1 1 52 52 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 5181 1 582 . 1 1 52 52 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5181 1 583 . 1 1 52 52 GLU HA H 1 4.171 0.005 . 1 . . . . . . . . 5181 1 584 . 1 1 52 52 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 5181 1 585 . 1 1 52 52 GLU HB3 H 1 1.450 0.005 . 2 . . . . . . . . 5181 1 586 . 1 1 52 52 GLU HB2 H 1 1.872 0.005 . 2 . . . . . . . . 5181 1 587 . 1 1 52 52 GLU CG C 13 34.5 0.2 . 1 . . . . . . . . 5181 1 588 . 1 1 52 52 GLU HG3 H 1 2.020 0.005 . 2 . . . . . . . . 5181 1 589 . 1 1 52 52 GLU HG2 H 1 2.250 0.005 . 2 . . . . . . . . 5181 1 590 . 1 1 53 53 GLY N N 15 119.3 0.2 . 1 . . . . . . . . 5181 1 591 . 1 1 53 53 GLY H H 1 8.861 0.005 . 1 . . . . . . . . 5181 1 592 . 1 1 53 53 GLY C C 13 172.6 0.2 . 1 . . . . . . . . 5181 1 593 . 1 1 53 53 GLY CA C 13 46.0 0.2 . 1 . . . . . . . . 5181 1 594 . 1 1 53 53 GLY HA3 H 1 3.548 0.005 . 1 . . . . . . . . 5181 1 595 . 1 1 53 53 GLY HA2 H 1 3.548 0.005 . 1 . . . . . . . . 5181 1 596 . 1 1 54 54 ASN N N 15 120.8 0.2 . 1 . . . . . . . . 5181 1 597 . 1 1 54 54 ASN H H 1 9.799 0.005 . 1 . . . . . . . . 5181 1 598 . 1 1 54 54 ASN C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 599 . 1 1 54 54 ASN CA C 13 53.2 0.2 . 1 . . . . . . . . 5181 1 600 . 1 1 54 54 ASN HA H 1 4.998 0.005 . 1 . . . . . . . . 5181 1 601 . 1 1 54 54 ASN CB C 13 42.1 0.2 . 1 . . . . . . . . 5181 1 602 . 1 1 54 54 ASN HB3 H 1 2.692 0.005 . 2 . . . . . . . . 5181 1 603 . 1 1 54 54 ASN HB2 H 1 2.913 0.005 . 2 . . . . . . . . 5181 1 604 . 1 1 54 54 ASN ND2 N 15 111.9 0.2 . 1 . . . . . . . . 5181 1 605 . 1 1 54 54 ASN HD21 H 1 6.730 0.005 . 2 . . . . . . . . 5181 1 606 . 1 1 54 54 ASN HD22 H 1 7.490 0.005 . 2 . . . . . . . . 5181 1 607 . 1 1 55 55 LYS N N 15 120.7 0.2 . 1 . . . . . . . . 5181 1 608 . 1 1 55 55 LYS H H 1 10.168 0.005 . 1 . . . . . . . . 5181 1 609 . 1 1 55 55 LYS C C 13 177.4 0.2 . 1 . . . . . . . . 5181 1 610 . 1 1 55 55 LYS CA C 13 54.9 0.2 . 1 . . . . . . . . 5181 1 611 . 1 1 55 55 LYS HA H 1 5.909 0.005 . 1 . . . . . . . . 5181 1 612 . 1 1 55 55 LYS CB C 13 37.0 0.2 . 1 . . . . . . . . 5181 1 613 . 1 1 55 55 LYS HB3 H 1 1.589 0.005 . 2 . . . . . . . . 5181 1 614 . 1 1 55 55 LYS HB2 H 1 1.703 0.005 . 2 . . . . . . . . 5181 1 615 . 1 1 55 55 LYS CG C 13 26.2 0.2 . 1 . . . . . . . . 5181 1 616 . 1 1 55 55 LYS HG3 H 1 1.280 0.005 . 2 . . . . . . . . 5181 1 617 . 1 1 55 55 LYS HG2 H 1 1.460 0.005 . 2 . . . . . . . . 5181 1 618 . 1 1 55 55 LYS CD C 13 29.8 0.2 . 1 . . . . . . . . 5181 1 619 . 1 1 55 55 LYS HD3 H 1 1.620 0.005 . 2 . . . . . . . . 5181 1 620 . 1 1 55 55 LYS HD2 H 1 1.780 0.005 . 2 . . . . . . . . 5181 1 621 . 1 1 55 55 LYS CE C 13 43.3 0.2 . 1 . . . . . . . . 5181 1 622 . 1 1 55 55 LYS HE3 H 1 2.980 0.005 . 2 . . . . . . . . 5181 1 623 . 1 1 55 55 LYS HE2 H 1 3.090 0.005 . 2 . . . . . . . . 5181 1 624 . 1 1 56 56 VAL N N 15 113.6 0.2 . 1 . . . . . . . . 5181 1 625 . 1 1 56 56 VAL H H 1 8.710 0.005 . 1 . . . . . . . . 5181 1 626 . 1 1 56 56 VAL C C 13 172.3 0.2 . 1 . . . . . . . . 5181 1 627 . 1 1 56 56 VAL CA C 13 59.1 0.2 . 1 . . . . . . . . 5181 1 628 . 1 1 56 56 VAL HA H 1 4.852 0.005 . 1 . . . . . . . . 5181 1 629 . 1 1 56 56 VAL CB C 13 35.1 0.2 . 1 . . . . . . . . 5181 1 630 . 1 1 56 56 VAL HB H 1 2.615 0.005 . 1 . . . . . . . . 5181 1 631 . 1 1 56 56 VAL CG2 C 13 19.9 0.2 . 1 . . . . . . . . 5181 1 632 . 1 1 56 56 VAL HG21 H 1 0.960 0.005 . 1 . . . . . . . . 5181 1 633 . 1 1 56 56 VAL HG22 H 1 0.960 0.005 . 1 . . . . . . . . 5181 1 634 . 1 1 56 56 VAL HG23 H 1 0.960 0.005 . 1 . . . . . . . . 5181 1 635 . 1 1 56 56 VAL CG1 C 13 22.2 0.2 . 1 . . . . . . . . 5181 1 636 . 1 1 56 56 VAL HG11 H 1 1.030 0.005 . 1 . . . . . . . . 5181 1 637 . 1 1 56 56 VAL HG12 H 1 1.030 0.005 . 1 . . . . . . . . 5181 1 638 . 1 1 56 56 VAL HG13 H 1 1.030 0.005 . 1 . . . . . . . . 5181 1 639 . 1 1 57 57 LEU N N 15 122.5 0.2 . 1 . . . . . . . . 5181 1 640 . 1 1 57 57 LEU H H 1 8.162 0.005 . 1 . . . . . . . . 5181 1 641 . 1 1 57 57 LEU C C 13 173.6 0.2 . 1 . . . . . . . . 5181 1 642 . 1 1 57 57 LEU CA C 13 54.0 0.2 . 1 . . . . . . . . 5181 1 643 . 1 1 57 57 LEU HA H 1 4.615 0.005 . 1 . . . . . . . . 5181 1 644 . 1 1 57 57 LEU CB C 13 42.4 0.2 . 1 . . . . . . . . 5181 1 645 . 1 1 57 57 LEU HB3 H 1 -0.890 0.005 . 2 . . . . . . . . 5181 1 646 . 1 1 57 57 LEU HB2 H 1 1.064 0.005 . 2 . . . . . . . . 5181 1 647 . 1 1 57 57 LEU CG C 13 26.7 0.2 . 1 . . . . . . . . 5181 1 648 . 1 1 57 57 LEU HG H 1 1.130 0.005 . 1 . . . . . . . . 5181 1 649 . 1 1 57 57 LEU CD1 C 13 23.1 0.2 . 1 . . . . . . . . 5181 1 650 . 1 1 57 57 LEU HD11 H 1 0.430 0.005 . 1 . . . . . . . . 5181 1 651 . 1 1 57 57 LEU HD12 H 1 0.430 0.005 . 1 . . . . . . . . 5181 1 652 . 1 1 57 57 LEU HD13 H 1 0.430 0.005 . 1 . . . . . . . . 5181 1 653 . 1 1 57 57 LEU CD2 C 13 25.3 0.2 . 1 . . . . . . . . 5181 1 654 . 1 1 57 57 LEU HD21 H 1 0.370 0.005 . 1 . . . . . . . . 5181 1 655 . 1 1 57 57 LEU HD22 H 1 0.370 0.005 . 1 . . . . . . . . 5181 1 656 . 1 1 57 57 LEU HD23 H 1 0.370 0.005 . 1 . . . . . . . . 5181 1 657 . 1 1 58 58 ALA N N 15 129.3 0.2 . 1 . . . . . . . . 5181 1 658 . 1 1 58 58 ALA H H 1 9.262 0.005 . 1 . . . . . . . . 5181 1 659 . 1 1 58 58 ALA C C 13 176.6 0.2 . 1 . . . . . . . . 5181 1 660 . 1 1 58 58 ALA CA C 13 50.0 0.2 . 1 . . . . . . . . 5181 1 661 . 1 1 58 58 ALA HA H 1 4.955 0.005 . 1 . . . . . . . . 5181 1 662 . 1 1 58 58 ALA CB C 13 23.0 0.2 . 1 . . . . . . . . 5181 1 663 . 1 1 58 58 ALA HB1 H 1 1.113 0.005 . 1 . . . . . . . . 5181 1 664 . 1 1 58 58 ALA HB2 H 1 1.113 0.005 . 1 . . . . . . . . 5181 1 665 . 1 1 58 58 ALA HB3 H 1 1.113 0.005 . 1 . . . . . . . . 5181 1 666 . 1 1 59 59 VAL N N 15 123.8 0.2 . 1 . . . . . . . . 5181 1 667 . 1 1 59 59 VAL H H 1 9.169 0.005 . 1 . . . . . . . . 5181 1 668 . 1 1 59 59 VAL C C 13 175.0 0.2 . 1 . . . . . . . . 5181 1 669 . 1 1 59 59 VAL CA C 13 60.4 0.2 . 1 . . . . . . . . 5181 1 670 . 1 1 59 59 VAL HA H 1 4.329 0.005 . 1 . . . . . . . . 5181 1 671 . 1 1 59 59 VAL CB C 13 33.3 0.2 . 1 . . . . . . . . 5181 1 672 . 1 1 59 59 VAL HB H 1 1.391 0.005 . 1 . . . . . . . . 5181 1 673 . 1 1 59 59 VAL CG1 C 13 18.6 0.2 . 1 . . . . . . . . 5181 1 674 . 1 1 59 59 VAL HG11 H 1 -0.390 0.005 . 1 . . . . . . . . 5181 1 675 . 1 1 59 59 VAL HG12 H 1 -0.390 0.005 . 1 . . . . . . . . 5181 1 676 . 1 1 59 59 VAL HG13 H 1 -0.390 0.005 . 1 . . . . . . . . 5181 1 677 . 1 1 59 59 VAL CG2 C 13 19.7 0.2 . 1 . . . . . . . . 5181 1 678 . 1 1 59 59 VAL HG21 H 1 0.160 0.005 . 1 . . . . . . . . 5181 1 679 . 1 1 59 59 VAL HG22 H 1 0.160 0.005 . 1 . . . . . . . . 5181 1 680 . 1 1 59 59 VAL HG23 H 1 0.160 0.005 . 1 . . . . . . . . 5181 1 681 . 1 1 60 60 THR N N 15 125.4 0.2 . 1 . . . . . . . . 5181 1 682 . 1 1 60 60 THR H H 1 8.833 0.005 . 1 . . . . . . . . 5181 1 683 . 1 1 60 60 THR C C 13 173.7 0.2 . 1 . . . . . . . . 5181 1 684 . 1 1 60 60 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 5181 1 685 . 1 1 60 60 THR HA H 1 4.705 0.005 . 1 . . . . . . . . 5181 1 686 . 1 1 60 60 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 5181 1 687 . 1 1 60 60 THR HB H 1 3.719 0.005 . 1 . . . . . . . . 5181 1 688 . 1 1 60 60 THR CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5181 1 689 . 1 1 60 60 THR HG21 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 690 . 1 1 60 60 THR HG22 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 691 . 1 1 60 60 THR HG23 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 692 . 1 1 61 61 VAL N N 15 126.6 0.2 . 1 . . . . . . . . 5181 1 693 . 1 1 61 61 VAL H H 1 8.012 0.005 . 1 . . . . . . . . 5181 1 694 . 1 1 61 61 VAL C C 13 174.2 0.2 . 1 . . . . . . . . 5181 1 695 . 1 1 61 61 VAL CA C 13 63.1 0.2 . 1 . . . . . . . . 5181 1 696 . 1 1 61 61 VAL HA H 1 3.657 0.005 . 1 . . . . . . . . 5181 1 697 . 1 1 61 61 VAL CB C 13 31.1 0.2 . 1 . . . . . . . . 5181 1 698 . 1 1 61 61 VAL HB H 1 2.255 0.005 . 1 . . . . . . . . 5181 1 699 . 1 1 61 61 VAL CG2 C 13 21.1 0.2 . 1 . . . . . . . . 5181 1 700 . 1 1 61 61 VAL HG21 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 701 . 1 1 61 61 VAL HG22 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 702 . 1 1 61 61 VAL HG23 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 703 . 1 1 61 61 VAL CG1 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 704 . 1 1 61 61 VAL HG11 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 705 . 1 1 61 61 VAL HG12 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 706 . 1 1 61 61 VAL HG13 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 707 . 1 1 62 62 ASN N N 15 126.8 0.2 . 1 . . . . . . . . 5181 1 708 . 1 1 62 62 ASN H H 1 8.276 0.005 . 1 . . . . . . . . 5181 1 709 . 1 1 62 62 ASN C C 13 174.1 0.2 . 1 . . . . . . . . 5181 1 710 . 1 1 62 62 ASN CA C 13 53.7 0.2 . 1 . . . . . . . . 5181 1 711 . 1 1 62 62 ASN HA H 1 4.995 0.005 . 1 . . . . . . . . 5181 1 712 . 1 1 62 62 ASN CB C 13 40.6 0.2 . 1 . . . . . . . . 5181 1 713 . 1 1 62 62 ASN HB3 H 1 2.106 0.005 . 2 . . . . . . . . 5181 1 714 . 1 1 62 62 ASN HB2 H 1 2.701 0.005 . 2 . . . . . . . . 5181 1 715 . 1 1 62 62 ASN ND2 N 15 112.1 0.2 . 1 . . . . . . . . 5181 1 716 . 1 1 62 62 ASN HD21 H 1 6.440 0.005 . 2 . . . . . . . . 5181 1 717 . 1 1 62 62 ASN HD22 H 1 7.650 0.005 . 2 . . . . . . . . 5181 1 718 . 1 1 63 63 GLY N N 15 108.6 0.2 . 1 . . . . . . . . 5181 1 719 . 1 1 63 63 GLY H H 1 7.616 0.005 . 1 . . . . . . . . 5181 1 720 . 1 1 63 63 GLY C C 13 171.3 0.2 . 1 . . . . . . . . 5181 1 721 . 1 1 63 63 GLY CA C 13 45.0 0.2 . 1 . . . . . . . . 5181 1 722 . 1 1 63 63 GLY HA3 H 1 4.010 0.005 . 2 . . . . . . . . 5181 1 723 . 1 1 63 63 GLY HA2 H 1 4.214 0.005 . 2 . . . . . . . . 5181 1 724 . 1 1 64 64 VAL N N 15 111.8 0.2 . 1 . . . . . . . . 5181 1 725 . 1 1 64 64 VAL H H 1 8.563 0.005 . 1 . . . . . . . . 5181 1 726 . 1 1 64 64 VAL C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 727 . 1 1 64 64 VAL CA C 13 59.8 0.2 . 1 . . . . . . . . 5181 1 728 . 1 1 64 64 VAL HA H 1 4.598 0.005 . 1 . . . . . . . . 5181 1 729 . 1 1 64 64 VAL CB C 13 33.8 0.2 . 1 . . . . . . . . 5181 1 730 . 1 1 64 64 VAL HB H 1 2.025 0.005 . 1 . . . . . . . . 5181 1 731 . 1 1 64 64 VAL CG2 C 13 17.4 0.2 . 1 . . . . . . . . 5181 1 732 . 1 1 64 64 VAL HG21 H 1 0.680 0.005 . 1 . . . . . . . . 5181 1 733 . 1 1 64 64 VAL HG22 H 1 0.680 0.005 . 1 . . . . . . . . 5181 1 734 . 1 1 64 64 VAL HG23 H 1 0.680 0.005 . 1 . . . . . . . . 5181 1 735 . 1 1 64 64 VAL CG1 C 13 21.9 0.2 . 1 . . . . . . . . 5181 1 736 . 1 1 64 64 VAL HG11 H 1 0.460 0.005 . 1 . . . . . . . . 5181 1 737 . 1 1 64 64 VAL HG12 H 1 0.460 0.005 . 1 . . . . . . . . 5181 1 738 . 1 1 64 64 VAL HG13 H 1 0.460 0.005 . 1 . . . . . . . . 5181 1 739 . 1 1 65 65 GLY N N 15 110.0 0.2 . 1 . . . . . . . . 5181 1 740 . 1 1 65 65 GLY H H 1 8.535 0.005 . 1 . . . . . . . . 5181 1 741 . 1 1 65 65 GLY C C 13 173.5 0.2 . 1 . . . . . . . . 5181 1 742 . 1 1 65 65 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 5181 1 743 . 1 1 65 65 GLY HA3 H 1 3.170 0.005 . 2 . . . . . . . . 5181 1 744 . 1 1 65 65 GLY HA2 H 1 4.311 0.005 . 2 . . . . . . . . 5181 1 745 . 1 1 66 66 ASN N N 15 122.4 0.2 . 1 . . . . . . . . 5181 1 746 . 1 1 66 66 ASN H H 1 8.314 0.005 . 1 . . . . . . . . 5181 1 747 . 1 1 66 66 ASN C C 13 175.2 0.2 . 1 . . . . . . . . 5181 1 748 . 1 1 66 66 ASN CA C 13 54.7 0.2 . 1 . . . . . . . . 5181 1 749 . 1 1 66 66 ASN HA H 1 4.472 0.005 . 1 . . . . . . . . 5181 1 750 . 1 1 66 66 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 5181 1 751 . 1 1 66 66 ASN HB3 H 1 2.590 0.005 . 1 . . . . . . . . 5181 1 752 . 1 1 66 66 ASN HB2 H 1 2.590 0.005 . 1 . . . . . . . . 5181 1 753 . 1 1 66 66 ASN ND2 N 15 112.1 0.2 . 1 . . . . . . . . 5181 1 754 . 1 1 66 66 ASN HD21 H 1 6.930 0.005 . 2 . . . . . . . . 5181 1 755 . 1 1 66 66 ASN HD22 H 1 7.620 0.005 . 2 . . . . . . . . 5181 1 756 . 1 1 67 67 ASN N N 15 116.8 0.2 . 1 . . . . . . . . 5181 1 757 . 1 1 67 67 ASN H H 1 8.708 0.005 . 1 . . . . . . . . 5181 1 758 . 1 1 67 67 ASN CA C 13 50.8 0.2 . 1 . . . . . . . . 5181 1 759 . 1 1 67 67 ASN HA H 1 4.750 0.005 . 1 . . . . . . . . 5181 1 760 . 1 1 67 67 ASN CB C 13 39.6 0.2 . 1 . . . . . . . . 5181 1 761 . 1 1 67 67 ASN HB3 H 1 -0.330 0.005 . 2 . . . . . . . . 5181 1 762 . 1 1 67 67 ASN HB2 H 1 0.580 0.005 . 2 . . . . . . . . 5181 1 763 . 1 1 67 67 ASN ND2 N 15 117.4 0.2 . 1 . . . . . . . . 5181 1 764 . 1 1 67 67 ASN HD21 H 1 6.830 0.005 . 2 . . . . . . . . 5181 1 765 . 1 1 67 67 ASN HD22 H 1 8.030 0.005 . 2 . . . . . . . . 5181 1 766 . 1 1 68 68 PRO C C 13 176.5 0.2 . 1 . . . . . . . . 5181 1 767 . 1 1 68 68 PRO CA C 13 65.2 0.2 . 1 . . . . . . . . 5181 1 768 . 1 1 68 68 PRO HA H 1 3.837 0.005 . 1 . . . . . . . . 5181 1 769 . 1 1 68 68 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 5181 1 770 . 1 1 68 68 PRO HB3 H 1 1.452 0.005 . 2 . . . . . . . . 5181 1 771 . 1 1 68 68 PRO HB2 H 1 1.547 0.005 . 2 . . . . . . . . 5181 1 772 . 1 1 68 68 PRO CG C 13 28.0 0.2 . 1 . . . . . . . . 5181 1 773 . 1 1 68 68 PRO HG3 H 1 1.530 0.005 . 2 . . . . . . . . 5181 1 774 . 1 1 68 68 PRO HG2 H 1 2.060 0.005 . 2 . . . . . . . . 5181 1 775 . 1 1 68 68 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 5181 1 776 . 1 1 68 68 PRO HD3 H 1 2.950 0.005 . 2 . . . . . . . . 5181 1 777 . 1 1 68 68 PRO HD2 H 1 3.530 0.005 . 2 . . . . . . . . 5181 1 778 . 1 1 69 69 TRP N N 15 108.4 0.2 . 1 . . . . . . . . 5181 1 779 . 1 1 69 69 TRP H H 1 5.616 0.005 . 1 . . . . . . . . 5181 1 780 . 1 1 69 69 TRP C C 13 174.3 0.2 . 1 . . . . . . . . 5181 1 781 . 1 1 69 69 TRP CA C 13 57.8 0.2 . 1 . . . . . . . . 5181 1 782 . 1 1 69 69 TRP HA H 1 4.091 0.005 . 1 . . . . . . . . 5181 1 783 . 1 1 69 69 TRP CB C 13 25.5 0.2 . 1 . . . . . . . . 5181 1 784 . 1 1 69 69 TRP HB3 H 1 1.693 0.005 . 2 . . . . . . . . 5181 1 785 . 1 1 69 69 TRP HB2 H 1 3.373 0.005 . 2 . . . . . . . . 5181 1 786 . 1 1 69 69 TRP CD1 C 13 127.5 0.2 . 1 . . . . . . . . 5181 1 787 . 1 1 69 69 TRP HD1 H 1 6.900 0.005 . 1 . . . . . . . . 5181 1 788 . 1 1 69 69 TRP NE1 N 15 132.8 0.2 . 1 . . . . . . . . 5181 1 789 . 1 1 69 69 TRP HE1 H 1 10.170 0.005 . 1 . . . . . . . . 5181 1 790 . 1 1 69 69 TRP HE3 H 1 7.122 0.005 . 1 . . . . . . . . 5181 1 791 . 1 1 69 69 TRP CZ2 C 13 115.7 0.2 . 1 . . . . . . . . 5181 1 792 . 1 1 69 69 TRP HZ2 H 1 7.350 0.005 . 1 . . . . . . . . 5181 1 793 . 1 1 70 70 ASP N N 15 118.6 0.2 . 1 . . . . . . . . 5181 1 794 . 1 1 70 70 ASP H H 1 7.314 0.005 . 1 . . . . . . . . 5181 1 795 . 1 1 70 70 ASP C C 13 176.1 0.2 . 1 . . . . . . . . 5181 1 796 . 1 1 70 70 ASP CA C 13 56.9 0.2 . 1 . . . . . . . . 5181 1 797 . 1 1 70 70 ASP HA H 1 4.540 0.005 . 1 . . . . . . . . 5181 1 798 . 1 1 70 70 ASP CB C 13 41.2 0.2 . 1 . . . . . . . . 5181 1 799 . 1 1 70 70 ASP HB3 H 1 2.376 0.005 . 2 . . . . . . . . 5181 1 800 . 1 1 70 70 ASP HB2 H 1 2.471 0.005 . 2 . . . . . . . . 5181 1 801 . 1 1 71 71 ILE N N 15 114.7 0.2 . 1 . . . . . . . . 5181 1 802 . 1 1 71 71 ILE H H 1 6.675 0.005 . 1 . . . . . . . . 5181 1 803 . 1 1 71 71 ILE C C 13 174.1 0.2 . 1 . . . . . . . . 5181 1 804 . 1 1 71 71 ILE CA C 13 63.7 0.2 . 1 . . . . . . . . 5181 1 805 . 1 1 71 71 ILE HA H 1 4.686 0.005 . 1 . . . . . . . . 5181 1 806 . 1 1 71 71 ILE CB C 13 41.1 0.2 . 1 . . . . . . . . 5181 1 807 . 1 1 71 71 ILE HB H 1 1.565 0.005 . 1 . . . . . . . . 5181 1 808 . 1 1 71 71 ILE CG1 C 13 28.4 0.2 . 1 . . . . . . . . 5181 1 809 . 1 1 71 71 ILE HG13 H 1 1.090 0.005 . 2 . . . . . . . . 5181 1 810 . 1 1 71 71 ILE HG12 H 1 1.620 0.005 . 2 . . . . . . . . 5181 1 811 . 1 1 71 71 ILE CG2 C 13 18.5 0.2 . 1 . . . . . . . . 5181 1 812 . 1 1 71 71 ILE HG21 H 1 0.840 0.005 . 1 . . . . . . . . 5181 1 813 . 1 1 71 71 ILE HG22 H 1 0.840 0.005 . 1 . . . . . . . . 5181 1 814 . 1 1 71 71 ILE HG23 H 1 0.840 0.005 . 1 . . . . . . . . 5181 1 815 . 1 1 71 71 ILE CD1 C 13 16.1 0.2 . 1 . . . . . . . . 5181 1 816 . 1 1 71 71 ILE HD11 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 817 . 1 1 71 71 ILE HD12 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 818 . 1 1 71 71 ILE HD13 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 819 . 1 1 72 72 GLU N N 15 126.7 0.2 . 1 . . . . . . . . 5181 1 820 . 1 1 72 72 GLU H H 1 9.137 0.005 . 1 . . . . . . . . 5181 1 821 . 1 1 72 72 GLU C C 13 174.6 0.2 . 1 . . . . . . . . 5181 1 822 . 1 1 72 72 GLU CA C 13 55.1 0.2 . 1 . . . . . . . . 5181 1 823 . 1 1 72 72 GLU HA H 1 6.235 0.005 . 1 . . . . . . . . 5181 1 824 . 1 1 72 72 GLU CB C 13 35.1 0.2 . 1 . . . . . . . . 5181 1 825 . 1 1 72 72 GLU HB3 H 1 2.240 0.005 . 2 . . . . . . . . 5181 1 826 . 1 1 72 72 GLU HB2 H 1 2.370 0.005 . 2 . . . . . . . . 5181 1 827 . 1 1 72 72 GLU CG C 13 37.3 0.2 . 1 . . . . . . . . 5181 1 828 . 1 1 72 72 GLU HG3 H 1 2.390 0.005 . 2 . . . . . . . . 5181 1 829 . 1 1 72 72 GLU HG2 H 1 2.520 0.005 . 2 . . . . . . . . 5181 1 830 . 1 1 73 73 ALA N N 15 125.2 0.2 . 1 . . . . . . . . 5181 1 831 . 1 1 73 73 ALA H H 1 8.788 0.005 . 1 . . . . . . . . 5181 1 832 . 1 1 73 73 ALA C C 13 176.0 0.2 . 1 . . . . . . . . 5181 1 833 . 1 1 73 73 ALA CA C 13 51.9 0.2 . 1 . . . . . . . . 5181 1 834 . 1 1 73 73 ALA HA H 1 5.373 0.005 . 1 . . . . . . . . 5181 1 835 . 1 1 73 73 ALA CB C 13 22.3 0.2 . 1 . . . . . . . . 5181 1 836 . 1 1 73 73 ALA HB1 H 1 1.732 0.005 . 1 . . . . . . . . 5181 1 837 . 1 1 73 73 ALA HB2 H 1 1.732 0.005 . 1 . . . . . . . . 5181 1 838 . 1 1 73 73 ALA HB3 H 1 1.732 0.005 . 1 . . . . . . . . 5181 1 839 . 1 1 74 74 THR N N 15 121.9 0.2 . 1 . . . . . . . . 5181 1 840 . 1 1 74 74 THR H H 1 9.680 0.005 . 1 . . . . . . . . 5181 1 841 . 1 1 74 74 THR C C 13 173.7 0.2 . 1 . . . . . . . . 5181 1 842 . 1 1 74 74 THR CA C 13 60.3 0.2 . 1 . . . . . . . . 5181 1 843 . 1 1 74 74 THR HA H 1 5.327 0.005 . 1 . . . . . . . . 5181 1 844 . 1 1 74 74 THR CB C 13 71.2 0.2 . 1 . . . . . . . . 5181 1 845 . 1 1 74 74 THR HB H 1 4.262 0.005 . 1 . . . . . . . . 5181 1 846 . 1 1 74 74 THR CG2 C 13 24.5 0.2 . 1 . . . . . . . . 5181 1 847 . 1 1 74 74 THR HG21 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 848 . 1 1 74 74 THR HG22 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 849 . 1 1 74 74 THR HG23 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 850 . 1 1 75 75 ALA N N 15 133.9 0.2 . 1 . . . . . . . . 5181 1 851 . 1 1 75 75 ALA H H 1 7.382 0.005 . 1 . . . . . . . . 5181 1 852 . 1 1 75 75 ALA C C 13 175.8 0.2 . 1 . . . . . . . . 5181 1 853 . 1 1 75 75 ALA CA C 13 52.0 0.2 . 1 . . . . . . . . 5181 1 854 . 1 1 75 75 ALA HA H 1 3.822 0.005 . 1 . . . . . . . . 5181 1 855 . 1 1 75 75 ALA CB C 13 17.5 0.2 . 1 . . . . . . . . 5181 1 856 . 1 1 75 75 ALA HB1 H 1 0.425 0.005 . 1 . . . . . . . . 5181 1 857 . 1 1 75 75 ALA HB2 H 1 0.425 0.005 . 1 . . . . . . . . 5181 1 858 . 1 1 75 75 ALA HB3 H 1 0.425 0.005 . 1 . . . . . . . . 5181 1 859 . 1 1 76 76 PHE N N 15 124.6 0.2 . 1 . . . . . . . . 5181 1 860 . 1 1 76 76 PHE H H 1 8.247 0.005 . 1 . . . . . . . . 5181 1 861 . 1 1 76 76 PHE C C 13 171.5 0.2 . 1 . . . . . . . . 5181 1 862 . 1 1 76 76 PHE CA C 13 56.7 0.2 . 1 . . . . . . . . 5181 1 863 . 1 1 76 76 PHE HA H 1 4.393 0.005 . 1 . . . . . . . . 5181 1 864 . 1 1 76 76 PHE CB C 13 41.8 0.2 . 1 . . . . . . . . 5181 1 865 . 1 1 76 76 PHE HB3 H 1 2.460 0.005 . 2 . . . . . . . . 5181 1 866 . 1 1 76 76 PHE HB2 H 1 3.250 0.005 . 2 . . . . . . . . 5181 1 867 . 1 1 76 76 PHE CD1 C 13 132.6 0.2 . 1 . . . . . . . . 5181 1 868 . 1 1 76 76 PHE CD2 C 13 132.6 0.2 . 1 . . . . . . . . 5181 1 869 . 1 1 76 76 PHE HD1 H 1 7.370 0.005 . 1 . . . . . . . . 5181 1 870 . 1 1 76 76 PHE HD2 H 1 7.370 0.005 . 1 . . . . . . . . 5181 1 871 . 1 1 77 77 PRO C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 872 . 1 1 77 77 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 5181 1 873 . 1 1 77 77 PRO HA H 1 3.311 0.005 . 1 . . . . . . . . 5181 1 874 . 1 1 77 77 PRO CB C 13 35.2 0.2 . 1 . . . . . . . . 5181 1 875 . 1 1 77 77 PRO HB3 H 1 1.260 0.005 . 2 . . . . . . . . 5181 1 876 . 1 1 77 77 PRO HB2 H 1 1.540 0.005 . 2 . . . . . . . . 5181 1 877 . 1 1 77 77 PRO CG C 13 24.3 0.2 . 1 . . . . . . . . 5181 1 878 . 1 1 77 77 PRO HG3 H 1 1.620 0.005 . 2 . . . . . . . . 5181 1 879 . 1 1 77 77 PRO HG2 H 1 1.700 0.005 . 2 . . . . . . . . 5181 1 880 . 1 1 77 77 PRO CD C 13 49.5 0.2 . 1 . . . . . . . . 5181 1 881 . 1 1 77 77 PRO HD3 H 1 3.050 0.005 . 2 . . . . . . . . 5181 1 882 . 1 1 77 77 PRO HD2 H 1 3.380 0.005 . 2 . . . . . . . . 5181 1 883 . 1 1 78 78 VAL N N 15 120.1 0.2 . 1 . . . . . . . . 5181 1 884 . 1 1 78 78 VAL H H 1 7.179 0.005 . 1 . . . . . . . . 5181 1 885 . 1 1 78 78 VAL C C 13 174.7 0.2 . 1 . . . . . . . . 5181 1 886 . 1 1 78 78 VAL CA C 13 61.6 0.2 . 1 . . . . . . . . 5181 1 887 . 1 1 78 78 VAL HA H 1 4.080 0.005 . 1 . . . . . . . . 5181 1 888 . 1 1 78 78 VAL CB C 13 31.8 0.2 . 1 . . . . . . . . 5181 1 889 . 1 1 78 78 VAL HB H 1 1.769 0.005 . 1 . . . . . . . . 5181 1 890 . 1 1 78 78 VAL CG2 C 13 20.6 0.2 . 1 . . . . . . . . 5181 1 891 . 1 1 78 78 VAL HG21 H 1 0.500 0.005 . 1 . . . . . . . . 5181 1 892 . 1 1 78 78 VAL HG22 H 1 0.500 0.005 . 1 . . . . . . . . 5181 1 893 . 1 1 78 78 VAL HG23 H 1 0.500 0.005 . 1 . . . . . . . . 5181 1 894 . 1 1 78 78 VAL CG1 C 13 22.1 0.2 . 1 . . . . . . . . 5181 1 895 . 1 1 78 78 VAL HG11 H 1 0.360 0.005 . 1 . . . . . . . . 5181 1 896 . 1 1 78 78 VAL HG12 H 1 0.360 0.005 . 1 . . . . . . . . 5181 1 897 . 1 1 78 78 VAL HG13 H 1 0.360 0.005 . 1 . . . . . . . . 5181 1 898 . 1 1 79 79 ASN N N 15 128.0 0.2 . 1 . . . . . . . . 5181 1 899 . 1 1 79 79 ASN H H 1 8.248 0.005 . 1 . . . . . . . . 5181 1 900 . 1 1 79 79 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 5181 1 901 . 1 1 79 79 ASN CA C 13 54.3 0.2 . 1 . . . . . . . . 5181 1 902 . 1 1 79 79 ASN HA H 1 5.247 0.005 . 1 . . . . . . . . 5181 1 903 . 1 1 79 79 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 5181 1 904 . 1 1 79 79 ASN HB3 H 1 2.650 0.005 . 2 . . . . . . . . 5181 1 905 . 1 1 79 79 ASN HB2 H 1 2.790 0.005 . 2 . . . . . . . . 5181 1 906 . 1 1 79 79 ASN ND2 N 15 112.1 0.2 . 1 . . . . . . . . 5181 1 907 . 1 1 79 79 ASN HD21 H 1 6.450 0.005 . 2 . . . . . . . . 5181 1 908 . 1 1 79 79 ASN HD22 H 1 7.570 0.005 . 2 . . . . . . . . 5181 1 909 . 1 1 80 80 VAL N N 15 116.6 0.2 . 1 . . . . . . . . 5181 1 910 . 1 1 80 80 VAL H H 1 8.708 0.005 . 1 . . . . . . . . 5181 1 911 . 1 1 80 80 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 912 . 1 1 80 80 VAL CA C 13 59.1 0.2 . 1 . . . . . . . . 5181 1 913 . 1 1 80 80 VAL HA H 1 4.787 0.005 . 1 . . . . . . . . 5181 1 914 . 1 1 80 80 VAL CB C 13 36.5 0.2 . 1 . . . . . . . . 5181 1 915 . 1 1 80 80 VAL HB H 1 1.978 0.005 . 1 . . . . . . . . 5181 1 916 . 1 1 80 80 VAL CG2 C 13 18.1 0.2 . 1 . . . . . . . . 5181 1 917 . 1 1 80 80 VAL HG21 H 1 0.560 0.005 . 1 . . . . . . . . 5181 1 918 . 1 1 80 80 VAL HG22 H 1 0.560 0.005 . 1 . . . . . . . . 5181 1 919 . 1 1 80 80 VAL HG23 H 1 0.560 0.005 . 1 . . . . . . . . 5181 1 920 . 1 1 80 80 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 5181 1 921 . 1 1 80 80 VAL HG11 H 1 0.020 0.005 . 1 . . . . . . . . 5181 1 922 . 1 1 80 80 VAL HG12 H 1 0.020 0.005 . 1 . . . . . . . . 5181 1 923 . 1 1 80 80 VAL HG13 H 1 0.020 0.005 . 1 . . . . . . . . 5181 1 924 . 1 1 81 81 ARG N N 15 118.8 0.2 . 1 . . . . . . . . 5181 1 925 . 1 1 81 81 ARG H H 1 8.151 0.005 . 1 . . . . . . . . 5181 1 926 . 1 1 81 81 ARG C C 13 173.6 0.2 . 1 . . . . . . . . 5181 1 927 . 1 1 81 81 ARG CA C 13 51.7 0.2 . 1 . . . . . . . . 5181 1 928 . 1 1 81 81 ARG HA H 1 4.994 0.005 . 1 . . . . . . . . 5181 1 929 . 1 1 81 81 ARG CB C 13 32.2 0.2 . 1 . . . . . . . . 5181 1 930 . 1 1 81 81 ARG HB3 H 1 1.620 0.005 . 2 . . . . . . . . 5181 1 931 . 1 1 81 81 ARG HB2 H 1 1.810 0.005 . 2 . . . . . . . . 5181 1 932 . 1 1 81 81 ARG CG C 13 26.6 0.2 . 1 . . . . . . . . 5181 1 933 . 1 1 81 81 ARG HG3 H 1 1.650 0.005 . 1 . . . . . . . . 5181 1 934 . 1 1 81 81 ARG HG2 H 1 1.650 0.005 . 1 . . . . . . . . 5181 1 935 . 1 1 81 81 ARG CD C 13 43.5 0.2 . 1 . . . . . . . . 5181 1 936 . 1 1 81 81 ARG HD3 H 1 3.200 0.005 . 1 . . . . . . . . 5181 1 937 . 1 1 81 81 ARG HD2 H 1 3.200 0.005 . 1 . . . . . . . . 5181 1 938 . 1 1 82 82 PRO C C 13 177.8 0.2 . 1 . . . . . . . . 5181 1 939 . 1 1 82 82 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 5181 1 940 . 1 1 82 82 PRO HA H 1 4.212 0.005 . 1 . . . . . . . . 5181 1 941 . 1 1 82 82 PRO CB C 13 32.8 0.2 . 1 . . . . . . . . 5181 1 942 . 1 1 82 82 PRO HB3 H 1 1.855 0.005 . 2 . . . . . . . . 5181 1 943 . 1 1 82 82 PRO HB2 H 1 2.688 0.005 . 2 . . . . . . . . 5181 1 944 . 1 1 82 82 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 5181 1 945 . 1 1 82 82 PRO HG3 H 1 1.840 0.005 . 2 . . . . . . . . 5181 1 946 . 1 1 82 82 PRO HG2 H 1 1.900 0.005 . 2 . . . . . . . . 5181 1 947 . 1 1 82 82 PRO CD C 13 51.4 0.2 . 1 . . . . . . . . 5181 1 948 . 1 1 82 82 PRO HD3 H 1 3.590 0.005 . 2 . . . . . . . . 5181 1 949 . 1 1 82 82 PRO HD2 H 1 3.800 0.005 . 2 . . . . . . . . 5181 1 950 . 1 1 83 83 GLY N N 15 111.7 0.2 . 1 . . . . . . . . 5181 1 951 . 1 1 83 83 GLY H H 1 8.854 0.005 . 1 . . . . . . . . 5181 1 952 . 1 1 83 83 GLY C C 13 173.8 0.2 . 1 . . . . . . . . 5181 1 953 . 1 1 83 83 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 5181 1 954 . 1 1 83 83 GLY HA3 H 1 3.667 0.005 . 2 . . . . . . . . 5181 1 955 . 1 1 83 83 GLY HA2 H 1 4.150 0.005 . 2 . . . . . . . . 5181 1 956 . 1 1 84 84 VAL N N 15 122.9 0.2 . 1 . . . . . . . . 5181 1 957 . 1 1 84 84 VAL H H 1 7.444 0.005 . 1 . . . . . . . . 5181 1 958 . 1 1 84 84 VAL C C 13 174.5 0.2 . 1 . . . . . . . . 5181 1 959 . 1 1 84 84 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 5181 1 960 . 1 1 84 84 VAL HA H 1 3.888 0.005 . 1 . . . . . . . . 5181 1 961 . 1 1 84 84 VAL CB C 13 32.6 0.2 . 1 . . . . . . . . 5181 1 962 . 1 1 84 84 VAL HB H 1 2.225 0.005 . 1 . . . . . . . . 5181 1 963 . 1 1 84 84 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 5181 1 964 . 1 1 84 84 VAL HG11 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 965 . 1 1 84 84 VAL HG12 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 966 . 1 1 84 84 VAL HG13 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 967 . 1 1 84 84 VAL CG2 C 13 24.1 0.2 . 1 . . . . . . . . 5181 1 968 . 1 1 84 84 VAL HG21 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 969 . 1 1 84 84 VAL HG22 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 970 . 1 1 84 84 VAL HG23 H 1 0.770 0.005 . 1 . . . . . . . . 5181 1 971 . 1 1 85 85 THR N N 15 123.0 0.2 . 1 . . . . . . . . 5181 1 972 . 1 1 85 85 THR H H 1 7.959 0.005 . 1 . . . . . . . . 5181 1 973 . 1 1 85 85 THR C C 13 172.5 0.2 . 1 . . . . . . . . 5181 1 974 . 1 1 85 85 THR CA C 13 62.3 0.2 . 1 . . . . . . . . 5181 1 975 . 1 1 85 85 THR HA H 1 4.673 0.005 . 1 . . . . . . . . 5181 1 976 . 1 1 85 85 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 5181 1 977 . 1 1 85 85 THR HB H 1 3.689 0.005 . 1 . . . . . . . . 5181 1 978 . 1 1 85 85 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 979 . 1 1 85 85 THR HG21 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 980 . 1 1 85 85 THR HG22 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 981 . 1 1 85 85 THR HG23 H 1 0.930 0.005 . 1 . . . . . . . . 5181 1 982 . 1 1 86 86 TYR N N 15 126.0 0.2 . 1 . . . . . . . . 5181 1 983 . 1 1 86 86 TYR H H 1 8.849 0.005 . 1 . . . . . . . . 5181 1 984 . 1 1 86 86 TYR C C 13 174.9 0.2 . 1 . . . . . . . . 5181 1 985 . 1 1 86 86 TYR CA C 13 56.9 0.2 . 1 . . . . . . . . 5181 1 986 . 1 1 86 86 TYR HA H 1 4.381 0.005 . 1 . . . . . . . . 5181 1 987 . 1 1 86 86 TYR CB C 13 42.7 0.2 . 1 . . . . . . . . 5181 1 988 . 1 1 86 86 TYR HB3 H 1 1.095 0.005 . 2 . . . . . . . . 5181 1 989 . 1 1 86 86 TYR HB2 H 1 2.113 0.005 . 2 . . . . . . . . 5181 1 990 . 1 1 86 86 TYR CD1 C 13 133.0 0.2 . 1 . . . . . . . . 5181 1 991 . 1 1 86 86 TYR CD2 C 13 133.0 0.2 . 1 . . . . . . . . 5181 1 992 . 1 1 86 86 TYR HD1 H 1 6.370 0.005 . 1 . . . . . . . . 5181 1 993 . 1 1 86 86 TYR HD2 H 1 6.370 0.005 . 1 . . . . . . . . 5181 1 994 . 1 1 86 86 TYR CE1 C 13 117.8 0.2 . 1 . . . . . . . . 5181 1 995 . 1 1 86 86 TYR CE2 C 13 117.8 0.2 . 1 . . . . . . . . 5181 1 996 . 1 1 86 86 TYR HE1 H 1 6.720 0.005 . 1 . . . . . . . . 5181 1 997 . 1 1 86 86 TYR HE2 H 1 6.720 0.005 . 1 . . . . . . . . 5181 1 998 . 1 1 87 87 THR N N 15 113.9 0.2 . 1 . . . . . . . . 5181 1 999 . 1 1 87 87 THR H H 1 9.016 0.005 . 1 . . . . . . . . 5181 1 1000 . 1 1 87 87 THR C C 13 172.4 0.2 . 1 . . . . . . . . 5181 1 1001 . 1 1 87 87 THR CA C 13 62.0 0.2 . 1 . . . . . . . . 5181 1 1002 . 1 1 87 87 THR HA H 1 4.523 0.005 . 1 . . . . . . . . 5181 1 1003 . 1 1 87 87 THR CB C 13 70.1 0.2 . 1 . . . . . . . . 5181 1 1004 . 1 1 87 87 THR HB H 1 3.975 0.005 . 1 . . . . . . . . 5181 1 1005 . 1 1 87 87 THR CG2 C 13 22.2 0.2 . 1 . . . . . . . . 5181 1 1006 . 1 1 87 87 THR HG21 H 1 1.130 0.005 . 1 . . . . . . . . 5181 1 1007 . 1 1 87 87 THR HG22 H 1 1.130 0.005 . 1 . . . . . . . . 5181 1 1008 . 1 1 87 87 THR HG23 H 1 1.130 0.005 . 1 . . . . . . . . 5181 1 1009 . 1 1 88 88 TYR N N 15 130.7 0.2 . 1 . . . . . . . . 5181 1 1010 . 1 1 88 88 TYR H H 1 9.187 0.005 . 1 . . . . . . . . 5181 1 1011 . 1 1 88 88 TYR C C 13 175.2 0.2 . 1 . . . . . . . . 5181 1 1012 . 1 1 88 88 TYR CA C 13 56.1 0.2 . 1 . . . . . . . . 5181 1 1013 . 1 1 88 88 TYR HA H 1 4.752 0.005 . 1 . . . . . . . . 5181 1 1014 . 1 1 88 88 TYR CB C 13 41.0 0.2 . 1 . . . . . . . . 5181 1 1015 . 1 1 88 88 TYR HB3 H 1 1.807 0.005 . 2 . . . . . . . . 5181 1 1016 . 1 1 88 88 TYR HB2 H 1 2.349 0.005 . 2 . . . . . . . . 5181 1 1017 . 1 1 88 88 TYR CD1 C 13 133.0 0.2 . 1 . . . . . . . . 5181 1 1018 . 1 1 88 88 TYR CD2 C 13 133.0 0.2 . 1 . . . . . . . . 5181 1 1019 . 1 1 88 88 TYR HD1 H 1 6.450 0.005 . 1 . . . . . . . . 5181 1 1020 . 1 1 88 88 TYR HD2 H 1 6.450 0.005 . 1 . . . . . . . . 5181 1 1021 . 1 1 88 88 TYR CE1 C 13 117.5 0.2 . 1 . . . . . . . . 5181 1 1022 . 1 1 88 88 TYR CE2 C 13 117.5 0.2 . 1 . . . . . . . . 5181 1 1023 . 1 1 88 88 TYR HE1 H 1 6.430 0.005 . 1 . . . . . . . . 5181 1 1024 . 1 1 88 88 TYR HE2 H 1 6.430 0.005 . 1 . . . . . . . . 5181 1 1025 . 1 1 89 89 THR N N 15 125.9 0.2 . 1 . . . . . . . . 5181 1 1026 . 1 1 89 89 THR H H 1 8.221 0.005 . 1 . . . . . . . . 5181 1 1027 . 1 1 89 89 THR C C 13 170.7 0.2 . 1 . . . . . . . . 5181 1 1028 . 1 1 89 89 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5181 1 1029 . 1 1 89 89 THR HA H 1 5.388 0.005 . 1 . . . . . . . . 5181 1 1030 . 1 1 89 89 THR CB C 13 71.6 0.2 . 1 . . . . . . . . 5181 1 1031 . 1 1 89 89 THR HB H 1 3.910 0.005 . 1 . . . . . . . . 5181 1 1032 . 1 1 89 89 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5181 1 1033 . 1 1 89 89 THR HG21 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1034 . 1 1 89 89 THR HG22 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1035 . 1 1 89 89 THR HG23 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1036 . 1 1 90 90 ILE N N 15 124.2 0.2 . 1 . . . . . . . . 5181 1 1037 . 1 1 90 90 ILE H H 1 8.634 0.005 . 1 . . . . . . . . 5181 1 1038 . 1 1 90 90 ILE C C 13 171.3 0.2 . 1 . . . . . . . . 5181 1 1039 . 1 1 90 90 ILE CA C 13 61.1 0.2 . 1 . . . . . . . . 5181 1 1040 . 1 1 90 90 ILE HA H 1 4.617 0.005 . 1 . . . . . . . . 5181 1 1041 . 1 1 90 90 ILE CB C 13 42.4 0.2 . 1 . . . . . . . . 5181 1 1042 . 1 1 90 90 ILE HB H 1 1.720 0.005 . 1 . . . . . . . . 5181 1 1043 . 1 1 90 90 ILE CG1 C 13 29.0 0.2 . 1 . . . . . . . . 5181 1 1044 . 1 1 90 90 ILE HG13 H 1 1.720 0.005 . 2 . . . . . . . . 5181 1 1045 . 1 1 90 90 ILE HG12 H 1 2.030 0.005 . 2 . . . . . . . . 5181 1 1046 . 1 1 90 90 ILE CG2 C 13 16.6 0.2 . 1 . . . . . . . . 5181 1 1047 . 1 1 90 90 ILE HG21 H 1 0.580 0.005 . 1 . . . . . . . . 5181 1 1048 . 1 1 90 90 ILE HG22 H 1 0.580 0.005 . 1 . . . . . . . . 5181 1 1049 . 1 1 90 90 ILE HG23 H 1 0.580 0.005 . 1 . . . . . . . . 5181 1 1050 . 1 1 90 90 ILE CD1 C 13 17.0 0.2 . 1 . . . . . . . . 5181 1 1051 . 1 1 90 90 ILE HD11 H 1 1.460 0.005 . 1 . . . . . . . . 5181 1 1052 . 1 1 90 90 ILE HD12 H 1 1.460 0.005 . 1 . . . . . . . . 5181 1 1053 . 1 1 90 90 ILE HD13 H 1 1.460 0.005 . 1 . . . . . . . . 5181 1 1054 . 1 1 91 91 TRP N N 15 123.7 0.2 . 1 . . . . . . . . 5181 1 1055 . 1 1 91 91 TRP H H 1 8.813 0.005 . 1 . . . . . . . . 5181 1 1056 . 1 1 91 91 TRP C C 13 176.7 0.2 . 1 . . . . . . . . 5181 1 1057 . 1 1 91 91 TRP CA C 13 56.8 0.2 . 1 . . . . . . . . 5181 1 1058 . 1 1 91 91 TRP HA H 1 5.749 0.005 . 1 . . . . . . . . 5181 1 1059 . 1 1 91 91 TRP CB C 13 31.7 0.2 . 1 . . . . . . . . 5181 1 1060 . 1 1 91 91 TRP HB2 H 1 3.071 0.005 . 1 . . . . . . . . 5181 1 1061 . 1 1 91 91 TRP HB3 H 1 3.398 0.005 . 1 . . . . . . . . 5181 1 1062 . 1 1 91 91 TRP CD1 C 13 125.9 0.2 . 1 . . . . . . . . 5181 1 1063 . 1 1 91 91 TRP HD1 H 1 7.110 0.005 . 1 . . . . . . . . 5181 1 1064 . 1 1 91 91 TRP NE1 N 15 129.3 0.2 . 1 . . . . . . . . 5181 1 1065 . 1 1 91 91 TRP HE1 H 1 10.080 0.005 . 1 . . . . . . . . 5181 1 1066 . 1 1 91 91 TRP CZ2 C 13 114.6 0.2 . 1 . . . . . . . . 5181 1 1067 . 1 1 91 91 TRP HZ2 H 1 7.410 0.005 . 1 . . . . . . . . 5181 1 1068 . 1 1 92 92 ALA N N 15 120.3 0.2 . 1 . . . . . . . . 5181 1 1069 . 1 1 92 92 ALA H H 1 9.256 0.005 . 1 . . . . . . . . 5181 1 1070 . 1 1 92 92 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 5181 1 1071 . 1 1 92 92 ALA CA C 13 52.3 0.2 . 1 . . . . . . . . 5181 1 1072 . 1 1 92 92 ALA HA H 1 6.485 0.005 . 1 . . . . . . . . 5181 1 1073 . 1 1 92 92 ALA CB C 13 24.3 0.2 . 1 . . . . . . . . 5181 1 1074 . 1 1 92 92 ALA HB1 H 1 1.867 0.005 . 1 . . . . . . . . 5181 1 1075 . 1 1 92 92 ALA HB2 H 1 1.867 0.005 . 1 . . . . . . . . 5181 1 1076 . 1 1 92 92 ALA HB3 H 1 1.867 0.005 . 1 . . . . . . . . 5181 1 1077 . 1 1 93 93 ARG N N 15 119.7 0.2 . 1 . . . . . . . . 5181 1 1078 . 1 1 93 93 ARG H H 1 8.921 0.005 . 1 . . . . . . . . 5181 1 1079 . 1 1 93 93 ARG C C 13 172.2 0.2 . 1 . . . . . . . . 5181 1 1080 . 1 1 93 93 ARG CA C 13 55.5 0.2 . 1 . . . . . . . . 5181 1 1081 . 1 1 93 93 ARG HA H 1 4.869 0.005 . 1 . . . . . . . . 5181 1 1082 . 1 1 93 93 ARG CB C 13 33.5 0.2 . 1 . . . . . . . . 5181 1 1083 . 1 1 93 93 ARG HB3 H 1 0.818 0.005 . 2 . . . . . . . . 5181 1 1084 . 1 1 93 93 ARG HB2 H 1 1.044 0.005 . 2 . . . . . . . . 5181 1 1085 . 1 1 93 93 ARG CG C 13 26.1 0.2 . 1 . . . . . . . . 5181 1 1086 . 1 1 93 93 ARG HG3 H 1 -0.380 0.005 . 2 . . . . . . . . 5181 1 1087 . 1 1 93 93 ARG HG2 H 1 0.430 0.005 . 2 . . . . . . . . 5181 1 1088 . 1 1 93 93 ARG CD C 13 41.5 0.2 . 1 . . . . . . . . 5181 1 1089 . 1 1 93 93 ARG HD3 H 1 1.290 0.005 . 2 . . . . . . . . 5181 1 1090 . 1 1 93 93 ARG HD2 H 1 1.840 0.005 . 2 . . . . . . . . 5181 1 1091 . 1 1 93 93 ARG NE N 15 83.3 0.2 . 1 . . . . . . . . 5181 1 1092 . 1 1 93 93 ARG HE H 1 6.120 0.005 . 1 . . . . . . . . 5181 1 1093 . 1 1 94 94 ALA N N 15 122.9 0.2 . 1 . . . . . . . . 5181 1 1094 . 1 1 94 94 ALA H H 1 8.584 0.005 . 1 . . . . . . . . 5181 1 1095 . 1 1 94 94 ALA C C 13 175.6 0.2 . 1 . . . . . . . . 5181 1 1096 . 1 1 94 94 ALA CA C 13 50.2 0.2 . 1 . . . . . . . . 5181 1 1097 . 1 1 94 94 ALA HA H 1 5.416 0.005 . 1 . . . . . . . . 5181 1 1098 . 1 1 94 94 ALA CB C 13 22.8 0.2 . 1 . . . . . . . . 5181 1 1099 . 1 1 94 94 ALA HB1 H 1 1.242 0.005 . 1 . . . . . . . . 5181 1 1100 . 1 1 94 94 ALA HB2 H 1 1.242 0.005 . 1 . . . . . . . . 5181 1 1101 . 1 1 94 94 ALA HB3 H 1 1.242 0.005 . 1 . . . . . . . . 5181 1 1102 . 1 1 95 95 GLU N N 15 119.4 0.2 . 1 . . . . . . . . 5181 1 1103 . 1 1 95 95 GLU H H 1 8.671 0.005 . 1 . . . . . . . . 5181 1 1104 . 1 1 95 95 GLU C C 13 177.2 0.2 . 1 . . . . . . . . 5181 1 1105 . 1 1 95 95 GLU CA C 13 58.5 0.2 . 1 . . . . . . . . 5181 1 1106 . 1 1 95 95 GLU HA H 1 4.124 0.005 . 1 . . . . . . . . 5181 1 1107 . 1 1 95 95 GLU CB C 13 31.0 0.2 . 1 . . . . . . . . 5181 1 1108 . 1 1 95 95 GLU HB3 H 1 2.300 0.005 . 2 . . . . . . . . 5181 1 1109 . 1 1 95 95 GLU HB2 H 1 2.380 0.005 . 2 . . . . . . . . 5181 1 1110 . 1 1 95 95 GLU CG C 13 35.7 0.2 . 1 . . . . . . . . 5181 1 1111 . 1 1 95 95 GLU HG3 H 1 2.450 0.005 . 1 . . . . . . . . 5181 1 1112 . 1 1 95 95 GLU HG2 H 1 2.450 0.005 . 1 . . . . . . . . 5181 1 1113 . 1 1 96 96 GLN N N 15 114.2 0.2 . 1 . . . . . . . . 5181 1 1114 . 1 1 96 96 GLN H H 1 8.307 0.005 . 1 . . . . . . . . 5181 1 1115 . 1 1 96 96 GLN C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 1116 . 1 1 96 96 GLN CA C 13 53.3 0.2 . 1 . . . . . . . . 5181 1 1117 . 1 1 96 96 GLN HA H 1 4.582 0.005 . 1 . . . . . . . . 5181 1 1118 . 1 1 96 96 GLN CB C 13 31.4 0.2 . 1 . . . . . . . . 5181 1 1119 . 1 1 96 96 GLN HB3 H 1 1.762 0.005 . 2 . . . . . . . . 5181 1 1120 . 1 1 96 96 GLN HB2 H 1 2.092 0.005 . 2 . . . . . . . . 5181 1 1121 . 1 1 96 96 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 5181 1 1122 . 1 1 96 96 GLN HG3 H 1 2.260 0.005 . 2 . . . . . . . . 5181 1 1123 . 1 1 96 96 GLN HG2 H 1 2.350 0.005 . 2 . . . . . . . . 5181 1 1124 . 1 1 96 96 GLN NE2 N 15 111.0 0.2 . 1 . . . . . . . . 5181 1 1125 . 1 1 96 96 GLN HE21 H 1 6.640 0.005 . 2 . . . . . . . . 5181 1 1126 . 1 1 96 96 GLN HE22 H 1 7.400 0.005 . 2 . . . . . . . . 5181 1 1127 . 1 1 97 97 ASP N N 15 120.8 0.2 . 1 . . . . . . . . 5181 1 1128 . 1 1 97 97 ASP H H 1 8.450 0.005 . 1 . . . . . . . . 5181 1 1129 . 1 1 97 97 ASP C C 13 176.9 0.2 . 1 . . . . . . . . 5181 1 1130 . 1 1 97 97 ASP CA C 13 55.9 0.2 . 1 . . . . . . . . 5181 1 1131 . 1 1 97 97 ASP HA H 1 4.431 0.005 . 1 . . . . . . . . 5181 1 1132 . 1 1 97 97 ASP CB C 13 41.9 0.2 . 1 . . . . . . . . 5181 1 1133 . 1 1 97 97 ASP HB3 H 1 2.590 0.005 . 2 . . . . . . . . 5181 1 1134 . 1 1 97 97 ASP HB2 H 1 2.660 0.005 . 2 . . . . . . . . 5181 1 1135 . 1 1 98 98 GLY N N 15 108.0 0.2 . 1 . . . . . . . . 5181 1 1136 . 1 1 98 98 GLY H H 1 8.367 0.005 . 1 . . . . . . . . 5181 1 1137 . 1 1 98 98 GLY C C 13 174.6 0.2 . 1 . . . . . . . . 5181 1 1138 . 1 1 98 98 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 5181 1 1139 . 1 1 98 98 GLY HA3 H 1 3.638 0.005 . 2 . . . . . . . . 5181 1 1140 . 1 1 98 98 GLY HA2 H 1 4.239 0.005 . 2 . . . . . . . . 5181 1 1141 . 1 1 99 99 ALA N N 15 121.5 0.2 . 1 . . . . . . . . 5181 1 1142 . 1 1 99 99 ALA H H 1 6.909 0.005 . 1 . . . . . . . . 5181 1 1143 . 1 1 99 99 ALA C C 13 176.2 0.2 . 1 . . . . . . . . 5181 1 1144 . 1 1 99 99 ALA CA C 13 51.6 0.2 . 1 . . . . . . . . 5181 1 1145 . 1 1 99 99 ALA HA H 1 4.630 0.005 . 1 . . . . . . . . 5181 1 1146 . 1 1 99 99 ALA CB C 13 20.2 0.2 . 1 . . . . . . . . 5181 1 1147 . 1 1 99 99 ALA HB1 H 1 1.154 0.005 . 1 . . . . . . . . 5181 1 1148 . 1 1 99 99 ALA HB2 H 1 1.154 0.005 . 1 . . . . . . . . 5181 1 1149 . 1 1 99 99 ALA HB3 H 1 1.154 0.005 . 1 . . . . . . . . 5181 1 1150 . 1 1 100 100 VAL N N 15 121.3 0.2 . 1 . . . . . . . . 5181 1 1151 . 1 1 100 100 VAL H H 1 9.299 0.005 . 1 . . . . . . . . 5181 1 1152 . 1 1 100 100 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 1153 . 1 1 100 100 VAL CA C 13 60.6 0.2 . 1 . . . . . . . . 5181 1 1154 . 1 1 100 100 VAL HA H 1 4.692 0.005 . 1 . . . . . . . . 5181 1 1155 . 1 1 100 100 VAL CB C 13 35.4 0.2 . 1 . . . . . . . . 5181 1 1156 . 1 1 100 100 VAL HB H 1 1.078 0.005 . 1 . . . . . . . . 5181 1 1157 . 1 1 100 100 VAL CG1 C 13 19.6 0.2 . 1 . . . . . . . . 5181 1 1158 . 1 1 100 100 VAL HG11 H 1 -0.290 0.005 . 1 . . . . . . . . 5181 1 1159 . 1 1 100 100 VAL HG12 H 1 -0.290 0.005 . 1 . . . . . . . . 5181 1 1160 . 1 1 100 100 VAL HG13 H 1 -0.290 0.005 . 1 . . . . . . . . 5181 1 1161 . 1 1 100 100 VAL CG2 C 13 20.6 0.2 . 1 . . . . . . . . 5181 1 1162 . 1 1 100 100 VAL HG21 H 1 0.440 0.005 . 1 . . . . . . . . 5181 1 1163 . 1 1 100 100 VAL HG22 H 1 0.440 0.005 . 1 . . . . . . . . 5181 1 1164 . 1 1 100 100 VAL HG23 H 1 0.440 0.005 . 1 . . . . . . . . 5181 1 1165 . 1 1 101 101 VAL N N 15 121.8 0.2 . 1 . . . . . . . . 5181 1 1166 . 1 1 101 101 VAL H H 1 7.948 0.005 . 1 . . . . . . . . 5181 1 1167 . 1 1 101 101 VAL C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 1168 . 1 1 101 101 VAL CA C 13 60.0 0.2 . 1 . . . . . . . . 5181 1 1169 . 1 1 101 101 VAL HA H 1 4.491 0.005 . 1 . . . . . . . . 5181 1 1170 . 1 1 101 101 VAL CB C 13 37.4 0.2 . 1 . . . . . . . . 5181 1 1171 . 1 1 101 101 VAL HB H 1 1.093 0.005 . 1 . . . . . . . . 5181 1 1172 . 1 1 101 101 VAL CG1 C 13 23.2 0.2 . 1 . . . . . . . . 5181 1 1173 . 1 1 101 101 VAL HG11 H 1 -0.200 0.005 . 1 . . . . . . . . 5181 1 1174 . 1 1 101 101 VAL HG12 H 1 -0.200 0.005 . 1 . . . . . . . . 5181 1 1175 . 1 1 101 101 VAL HG13 H 1 -0.200 0.005 . 1 . . . . . . . . 5181 1 1176 . 1 1 101 101 VAL CG2 C 13 23.6 0.2 . 1 . . . . . . . . 5181 1 1177 . 1 1 101 101 VAL HG21 H 1 0.490 0.005 . 1 . . . . . . . . 5181 1 1178 . 1 1 101 101 VAL HG22 H 1 0.490 0.005 . 1 . . . . . . . . 5181 1 1179 . 1 1 101 101 VAL HG23 H 1 0.490 0.005 . 1 . . . . . . . . 5181 1 1180 . 1 1 102 102 SER N N 15 117.2 0.2 . 1 . . . . . . . . 5181 1 1181 . 1 1 102 102 SER H H 1 7.366 0.005 . 1 . . . . . . . . 5181 1 1182 . 1 1 102 102 SER C C 13 171.5 0.2 . 1 . . . . . . . . 5181 1 1183 . 1 1 102 102 SER CA C 13 57.7 0.2 . 1 . . . . . . . . 5181 1 1184 . 1 1 102 102 SER HA H 1 5.138 0.005 . 1 . . . . . . . . 5181 1 1185 . 1 1 102 102 SER CB C 13 65.1 0.2 . 1 . . . . . . . . 5181 1 1186 . 1 1 102 102 SER HB3 H 1 3.648 0.005 . 2 . . . . . . . . 5181 1 1187 . 1 1 102 102 SER HB2 H 1 3.853 0.005 . 2 . . . . . . . . 5181 1 1188 . 1 1 103 103 PHE N N 15 124.9 0.2 . 1 . . . . . . . . 5181 1 1189 . 1 1 103 103 PHE H H 1 8.123 0.005 . 1 . . . . . . . . 5181 1 1190 . 1 1 103 103 PHE C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 1191 . 1 1 103 103 PHE CA C 13 57.1 0.2 . 1 . . . . . . . . 5181 1 1192 . 1 1 103 103 PHE HA H 1 4.629 0.005 . 1 . . . . . . . . 5181 1 1193 . 1 1 103 103 PHE CB C 13 39.3 0.2 . 1 . . . . . . . . 5181 1 1194 . 1 1 103 103 PHE HB2 H 1 2.713 0.005 . 1 . . . . . . . . 5181 1 1195 . 1 1 103 103 PHE HB3 H 1 3.511 0.005 . 1 . . . . . . . . 5181 1 1196 . 1 1 103 103 PHE CD1 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 1197 . 1 1 103 103 PHE CD2 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 1198 . 1 1 103 103 PHE HD1 H 1 7.230 0.005 . 1 . . . . . . . . 5181 1 1199 . 1 1 103 103 PHE HD2 H 1 7.230 0.005 . 1 . . . . . . . . 5181 1 1200 . 1 1 103 103 PHE CE1 C 13 130.7 0.2 . 1 . . . . . . . . 5181 1 1201 . 1 1 103 103 PHE CE2 C 13 130.7 0.2 . 1 . . . . . . . . 5181 1 1202 . 1 1 103 103 PHE HE1 H 1 6.580 0.005 . 1 . . . . . . . . 5181 1 1203 . 1 1 103 103 PHE HE2 H 1 6.580 0.005 . 1 . . . . . . . . 5181 1 1204 . 1 1 103 103 PHE CZ C 13 128.8 0.2 . 1 . . . . . . . . 5181 1 1205 . 1 1 103 103 PHE HZ H 1 6.450 0.005 . 1 . . . . . . . . 5181 1 1206 . 1 1 104 104 THR N N 15 113.6 0.2 . 1 . . . . . . . . 5181 1 1207 . 1 1 104 104 THR H H 1 7.822 0.005 . 1 . . . . . . . . 5181 1 1208 . 1 1 104 104 THR C C 13 173.0 0.2 . 1 . . . . . . . . 5181 1 1209 . 1 1 104 104 THR CA C 13 60.6 0.2 . 1 . . . . . . . . 5181 1 1210 . 1 1 104 104 THR HA H 1 5.152 0.005 . 1 . . . . . . . . 5181 1 1211 . 1 1 104 104 THR CB C 13 72.4 0.2 . 1 . . . . . . . . 5181 1 1212 . 1 1 104 104 THR HB H 1 3.911 0.005 . 1 . . . . . . . . 5181 1 1213 . 1 1 104 104 THR CG2 C 13 19.7 0.2 . 1 . . . . . . . . 5181 1 1214 . 1 1 104 104 THR HG21 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1215 . 1 1 104 104 THR HG22 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1216 . 1 1 104 104 THR HG23 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1217 . 1 1 105 105 VAL N N 15 113.7 0.2 . 1 . . . . . . . . 5181 1 1218 . 1 1 105 105 VAL H H 1 7.900 0.005 . 1 . . . . . . . . 5181 1 1219 . 1 1 105 105 VAL C C 13 175.1 0.2 . 1 . . . . . . . . 5181 1 1220 . 1 1 105 105 VAL CA C 13 61.1 0.2 . 1 . . . . . . . . 5181 1 1221 . 1 1 105 105 VAL HA H 1 4.918 0.005 . 1 . . . . . . . . 5181 1 1222 . 1 1 105 105 VAL CB C 13 35.9 0.2 . 1 . . . . . . . . 5181 1 1223 . 1 1 105 105 VAL HB H 1 1.490 0.005 . 1 . . . . . . . . 5181 1 1224 . 1 1 105 105 VAL CG2 C 13 20.4 0.2 . 1 . . . . . . . . 5181 1 1225 . 1 1 105 105 VAL HG21 H 1 0.320 0.005 . 1 . . . . . . . . 5181 1 1226 . 1 1 105 105 VAL HG22 H 1 0.320 0.005 . 1 . . . . . . . . 5181 1 1227 . 1 1 105 105 VAL HG23 H 1 0.320 0.005 . 1 . . . . . . . . 5181 1 1228 . 1 1 105 105 VAL CG1 C 13 21.9 0.2 . 1 . . . . . . . . 5181 1 1229 . 1 1 105 105 VAL HG11 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 1230 . 1 1 105 105 VAL HG12 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 1231 . 1 1 105 105 VAL HG13 H 1 0.470 0.005 . 1 . . . . . . . . 5181 1 1232 . 1 1 106 106 GLY N N 15 112.5 0.2 . 1 . . . . . . . . 5181 1 1233 . 1 1 106 106 GLY H H 1 9.055 0.005 . 1 . . . . . . . . 5181 1 1234 . 1 1 106 106 GLY C C 13 171.1 0.2 . 1 . . . . . . . . 5181 1 1235 . 1 1 106 106 GLY CA C 13 47.2 0.2 . 1 . . . . . . . . 5181 1 1236 . 1 1 106 106 GLY HA3 H 1 4.163 0.005 . 2 . . . . . . . . 5181 1 1237 . 1 1 106 106 GLY HA2 H 1 4.448 0.005 . 2 . . . . . . . . 5181 1 1238 . 1 1 107 107 ASN N N 15 114.9 0.2 . 1 . . . . . . . . 5181 1 1239 . 1 1 107 107 ASN H H 1 8.139 0.005 . 1 . . . . . . . . 5181 1 1240 . 1 1 107 107 ASN C C 13 178.5 0.2 . 1 . . . . . . . . 5181 1 1241 . 1 1 107 107 ASN CA C 13 50.5 0.2 . 1 . . . . . . . . 5181 1 1242 . 1 1 107 107 ASN HA H 1 5.016 0.005 . 1 . . . . . . . . 5181 1 1243 . 1 1 107 107 ASN CB C 13 40.0 0.2 . 1 . . . . . . . . 5181 1 1244 . 1 1 107 107 ASN HB3 H 1 3.576 0.005 . 2 . . . . . . . . 5181 1 1245 . 1 1 107 107 ASN HB2 H 1 3.873 0.005 . 2 . . . . . . . . 5181 1 1246 . 1 1 107 107 ASN ND2 N 15 113.1 0.2 . 1 . . . . . . . . 5181 1 1247 . 1 1 107 107 ASN HD21 H 1 6.990 0.005 . 2 . . . . . . . . 5181 1 1248 . 1 1 107 107 ASN HD22 H 1 7.750 0.005 . 2 . . . . . . . . 5181 1 1249 . 1 1 108 108 GLN N N 15 117.6 0.2 . 1 . . . . . . . . 5181 1 1250 . 1 1 108 108 GLN H H 1 9.754 0.005 . 1 . . . . . . . . 5181 1 1251 . 1 1 108 108 GLN C C 13 175.4 0.2 . 1 . . . . . . . . 5181 1 1252 . 1 1 108 108 GLN CA C 13 58.8 0.2 . 1 . . . . . . . . 5181 1 1253 . 1 1 108 108 GLN HA H 1 3.662 0.005 . 1 . . . . . . . . 5181 1 1254 . 1 1 108 108 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 5181 1 1255 . 1 1 108 108 GLN HB3 H 1 2.050 0.005 . 2 . . . . . . . . 5181 1 1256 . 1 1 108 108 GLN HB2 H 1 2.211 0.005 . 2 . . . . . . . . 5181 1 1257 . 1 1 108 108 GLN CG C 13 36.2 0.2 . 1 . . . . . . . . 5181 1 1258 . 1 1 108 108 GLN HG3 H 1 1.950 0.005 . 2 . . . . . . . . 5181 1 1259 . 1 1 108 108 GLN HG2 H 1 2.570 0.005 . 2 . . . . . . . . 5181 1 1260 . 1 1 108 108 GLN NE2 N 15 112.5 0.2 . 1 . . . . . . . . 5181 1 1261 . 1 1 108 108 GLN HE21 H 1 7.240 0.005 . 2 . . . . . . . . 5181 1 1262 . 1 1 108 108 GLN HE22 H 1 7.610 0.005 . 2 . . . . . . . . 5181 1 1263 . 1 1 109 109 SER N N 15 114.2 0.2 . 1 . . . . . . . . 5181 1 1264 . 1 1 109 109 SER H H 1 7.556 0.005 . 1 . . . . . . . . 5181 1 1265 . 1 1 109 109 SER C C 13 173.3 0.2 . 1 . . . . . . . . 5181 1 1266 . 1 1 109 109 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 5181 1 1267 . 1 1 109 109 SER HA H 1 4.260 0.005 . 1 . . . . . . . . 5181 1 1268 . 1 1 109 109 SER CB C 13 62.7 0.2 . 1 . . . . . . . . 5181 1 1269 . 1 1 109 109 SER HB3 H 1 3.721 0.005 . 2 . . . . . . . . 5181 1 1270 . 1 1 109 109 SER HB2 H 1 3.895 0.005 . 2 . . . . . . . . 5181 1 1271 . 1 1 110 110 PHE N N 15 112.2 0.2 . 1 . . . . . . . . 5181 1 1272 . 1 1 110 110 PHE H H 1 7.527 0.005 . 1 . . . . . . . . 5181 1 1273 . 1 1 110 110 PHE C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 1274 . 1 1 110 110 PHE CA C 13 59.2 0.2 . 1 . . . . . . . . 5181 1 1275 . 1 1 110 110 PHE HA H 1 3.930 0.005 . 1 . . . . . . . . 5181 1 1276 . 1 1 110 110 PHE CB C 13 34.7 0.2 . 1 . . . . . . . . 5181 1 1277 . 1 1 110 110 PHE HB3 H 1 3.115 0.005 . 2 . . . . . . . . 5181 1 1278 . 1 1 110 110 PHE HB2 H 1 3.222 0.005 . 2 . . . . . . . . 5181 1 1279 . 1 1 110 110 PHE CD1 C 13 131.3 0.2 . 1 . . . . . . . . 5181 1 1280 . 1 1 110 110 PHE CD2 C 13 131.3 0.2 . 1 . . . . . . . . 5181 1 1281 . 1 1 110 110 PHE HD1 H 1 6.950 0.005 . 1 . . . . . . . . 5181 1 1282 . 1 1 110 110 PHE HD2 H 1 6.950 0.005 . 1 . . . . . . . . 5181 1 1283 . 1 1 110 110 PHE CE1 C 13 131.3 0.2 . 1 . . . . . . . . 5181 1 1284 . 1 1 110 110 PHE CE2 C 13 131.3 0.2 . 1 . . . . . . . . 5181 1 1285 . 1 1 110 110 PHE HE1 H 1 7.120 0.005 . 1 . . . . . . . . 5181 1 1286 . 1 1 110 110 PHE HE2 H 1 7.120 0.005 . 1 . . . . . . . . 5181 1 1287 . 1 1 111 111 GLN N N 15 120.4 0.2 . 1 . . . . . . . . 5181 1 1288 . 1 1 111 111 GLN H H 1 7.613 0.005 . 1 . . . . . . . . 5181 1 1289 . 1 1 111 111 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 5181 1 1290 . 1 1 111 111 GLN CA C 13 54.9 0.2 . 1 . . . . . . . . 5181 1 1291 . 1 1 111 111 GLN HA H 1 4.273 0.005 . 1 . . . . . . . . 5181 1 1292 . 1 1 111 111 GLN CB C 13 28.5 0.2 . 1 . . . . . . . . 5181 1 1293 . 1 1 111 111 GLN HB3 H 1 1.770 0.005 . 2 . . . . . . . . 5181 1 1294 . 1 1 111 111 GLN HB2 H 1 1.810 0.005 . 2 . . . . . . . . 5181 1 1295 . 1 1 111 111 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 5181 1 1296 . 1 1 111 111 GLN HG3 H 1 2.140 0.005 . 2 . . . . . . . . 5181 1 1297 . 1 1 111 111 GLN HG2 H 1 2.190 0.005 . 2 . . . . . . . . 5181 1 1298 . 1 1 111 111 GLN NE2 N 15 112.1 0.2 . 1 . . . . . . . . 5181 1 1299 . 1 1 111 111 GLN HE21 H 1 6.740 0.005 . 2 . . . . . . . . 5181 1 1300 . 1 1 111 111 GLN HE22 H 1 7.320 0.005 . 2 . . . . . . . . 5181 1 1301 . 1 1 112 112 GLU N N 15 124.3 0.2 . 1 . . . . . . . . 5181 1 1302 . 1 1 112 112 GLU H H 1 8.456 0.005 . 1 . . . . . . . . 5181 1 1303 . 1 1 112 112 GLU C C 13 177.5 0.2 . 1 . . . . . . . . 5181 1 1304 . 1 1 112 112 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 5181 1 1305 . 1 1 112 112 GLU HA H 1 4.551 0.005 . 1 . . . . . . . . 5181 1 1306 . 1 1 112 112 GLU CB C 13 32.6 0.2 . 1 . . . . . . . . 5181 1 1307 . 1 1 112 112 GLU HB3 H 1 1.820 0.005 . 2 . . . . . . . . 5181 1 1308 . 1 1 112 112 GLU HB2 H 1 1.900 0.005 . 2 . . . . . . . . 5181 1 1309 . 1 1 112 112 GLU CG C 13 37.9 0.2 . 1 . . . . . . . . 5181 1 1310 . 1 1 112 112 GLU HG3 H 1 2.030 0.005 . 2 . . . . . . . . 5181 1 1311 . 1 1 112 112 GLU HG2 H 1 2.400 0.005 . 2 . . . . . . . . 5181 1 1312 . 1 1 113 113 TYR N N 15 122.5 0.2 . 1 . . . . . . . . 5181 1 1313 . 1 1 113 113 TYR H H 1 8.945 0.005 . 1 . . . . . . . . 5181 1 1314 . 1 1 113 113 TYR C C 13 176.6 0.2 . 1 . . . . . . . . 5181 1 1315 . 1 1 113 113 TYR CA C 13 58.5 0.2 . 1 . . . . . . . . 5181 1 1316 . 1 1 113 113 TYR HA H 1 4.900 0.005 . 1 . . . . . . . . 5181 1 1317 . 1 1 113 113 TYR CB C 13 40.3 0.2 . 1 . . . . . . . . 5181 1 1318 . 1 1 113 113 TYR HB2 H 1 2.290 0.005 . 1 . . . . . . . . 5181 1 1319 . 1 1 113 113 TYR HB3 H 1 3.590 0.005 . 1 . . . . . . . . 5181 1 1320 . 1 1 113 113 TYR CD1 C 13 132.3 0.2 . 1 . . . . . . . . 5181 1 1321 . 1 1 113 113 TYR CD2 C 13 132.3 0.2 . 1 . . . . . . . . 5181 1 1322 . 1 1 113 113 TYR HD1 H 1 7.040 0.005 . 1 . . . . . . . . 5181 1 1323 . 1 1 113 113 TYR HD2 H 1 7.040 0.005 . 1 . . . . . . . . 5181 1 1324 . 1 1 113 113 TYR CE1 C 13 118.2 0.2 . 1 . . . . . . . . 5181 1 1325 . 1 1 113 113 TYR CE2 C 13 118.2 0.2 . 1 . . . . . . . . 5181 1 1326 . 1 1 113 113 TYR HE1 H 1 6.680 0.005 . 1 . . . . . . . . 5181 1 1327 . 1 1 113 113 TYR HE2 H 1 6.680 0.005 . 1 . . . . . . . . 5181 1 1328 . 1 1 114 114 GLY N N 15 104.5 0.2 . 1 . . . . . . . . 5181 1 1329 . 1 1 114 114 GLY H H 1 7.437 0.005 . 1 . . . . . . . . 5181 1 1330 . 1 1 114 114 GLY C C 13 169.7 0.2 . 1 . . . . . . . . 5181 1 1331 . 1 1 114 114 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 5181 1 1332 . 1 1 114 114 GLY HA3 H 1 4.160 0.005 . 2 . . . . . . . . 5181 1 1333 . 1 1 114 114 GLY HA2 H 1 4.282 0.005 . 2 . . . . . . . . 5181 1 1334 . 1 1 115 115 ARG N N 15 112.2 0.2 . 1 . . . . . . . . 5181 1 1335 . 1 1 115 115 ARG H H 1 7.842 0.005 . 1 . . . . . . . . 5181 1 1336 . 1 1 115 115 ARG C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 1337 . 1 1 115 115 ARG CA C 13 55.1 0.2 . 1 . . . . . . . . 5181 1 1338 . 1 1 115 115 ARG HA H 1 4.490 0.005 . 1 . . . . . . . . 5181 1 1339 . 1 1 115 115 ARG CB C 13 34.5 0.2 . 1 . . . . . . . . 5181 1 1340 . 1 1 115 115 ARG HB3 H 1 1.009 0.005 . 2 . . . . . . . . 5181 1 1341 . 1 1 115 115 ARG HB2 H 1 2.063 0.005 . 2 . . . . . . . . 5181 1 1342 . 1 1 115 115 ARG CG C 13 23.5 0.2 . 1 . . . . . . . . 5181 1 1343 . 1 1 115 115 ARG HG3 H 1 1.100 0.005 . 2 . . . . . . . . 5181 1 1344 . 1 1 115 115 ARG HG2 H 1 1.540 0.005 . 2 . . . . . . . . 5181 1 1345 . 1 1 115 115 ARG CD C 13 45.8 0.2 . 1 . . . . . . . . 5181 1 1346 . 1 1 115 115 ARG HD3 H 1 2.980 0.005 . 2 . . . . . . . . 5181 1 1347 . 1 1 115 115 ARG HD2 H 1 3.390 0.005 . 2 . . . . . . . . 5181 1 1348 . 1 1 115 115 ARG NE N 15 85.2 0.2 . 1 . . . . . . . . 5181 1 1349 . 1 1 115 115 ARG HE H 1 8.820 0.005 . 1 . . . . . . . . 5181 1 1350 . 1 1 116 116 LEU N N 15 119.9 0.2 . 1 . . . . . . . . 5181 1 1351 . 1 1 116 116 LEU H H 1 8.290 0.005 . 1 . . . . . . . . 5181 1 1352 . 1 1 116 116 LEU C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 1353 . 1 1 116 116 LEU CA C 13 54.4 0.2 . 1 . . . . . . . . 5181 1 1354 . 1 1 116 116 LEU HA H 1 4.450 0.005 . 1 . . . . . . . . 5181 1 1355 . 1 1 116 116 LEU CB C 13 44.2 0.2 . 1 . . . . . . . . 5181 1 1356 . 1 1 116 116 LEU HB3 H 1 1.442 0.005 . 2 . . . . . . . . 5181 1 1357 . 1 1 116 116 LEU HB2 H 1 1.559 0.005 . 2 . . . . . . . . 5181 1 1358 . 1 1 116 116 LEU CG C 13 26.4 0.2 . 1 . . . . . . . . 5181 1 1359 . 1 1 116 116 LEU HG H 1 1.350 0.005 . 1 . . . . . . . . 5181 1 1360 . 1 1 116 116 LEU CD2 C 13 24.0 0.2 . 1 . . . . . . . . 5181 1 1361 . 1 1 116 116 LEU HD21 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1362 . 1 1 116 116 LEU HD22 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1363 . 1 1 116 116 LEU HD23 H 1 1.060 0.005 . 1 . . . . . . . . 5181 1 1364 . 1 1 116 116 LEU CD1 C 13 26.2 0.2 . 1 . . . . . . . . 5181 1 1365 . 1 1 116 116 LEU HD11 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1366 . 1 1 116 116 LEU HD12 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1367 . 1 1 116 116 LEU HD13 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1368 . 1 1 117 117 HIS N N 15 125.1 0.2 . 1 . . . . . . . . 5181 1 1369 . 1 1 117 117 HIS H H 1 8.771 0.005 . 1 . . . . . . . . 5181 1 1370 . 1 1 117 117 HIS C C 13 174.7 0.2 . 1 . . . . . . . . 5181 1 1371 . 1 1 117 117 HIS CA C 13 57.2 0.2 . 1 . . . . . . . . 5181 1 1372 . 1 1 117 117 HIS HA H 1 4.318 0.005 . 1 . . . . . . . . 5181 1 1373 . 1 1 117 117 HIS CB C 13 34.1 0.2 . 1 . . . . . . . . 5181 1 1374 . 1 1 117 117 HIS HB3 H 1 2.578 0.005 . 2 . . . . . . . . 5181 1 1375 . 1 1 117 117 HIS HB2 H 1 3.140 0.005 . 2 . . . . . . . . 5181 1 1376 . 1 1 117 117 HIS CD2 C 13 117.8 0.2 . 1 . . . . . . . . 5181 1 1377 . 1 1 117 117 HIS HD2 H 1 6.880 0.005 . 1 . . . . . . . . 5181 1 1378 . 1 1 117 117 HIS CE1 C 13 140.0 0.2 . 1 . . . . . . . . 5181 1 1379 . 1 1 117 117 HIS HE1 H 1 7.810 0.005 . 1 . . . . . . . . 5181 1 1380 . 1 1 118 118 GLU N N 15 127.7 0.2 . 1 . . . . . . . . 5181 1 1381 . 1 1 118 118 GLU H H 1 8.818 0.005 . 1 . . . . . . . . 5181 1 1382 . 1 1 118 118 GLU C C 13 174.7 0.2 . 1 . . . . . . . . 5181 1 1383 . 1 1 118 118 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 5181 1 1384 . 1 1 118 118 GLU HA H 1 2.420 0.005 . 1 . . . . . . . . 5181 1 1385 . 1 1 118 118 GLU CB C 13 28.2 0.2 . 1 . . . . . . . . 5181 1 1386 . 1 1 118 118 GLU HB3 H 1 1.140 0.005 . 2 . . . . . . . . 5181 1 1387 . 1 1 118 118 GLU HB2 H 1 1.350 0.005 . 2 . . . . . . . . 5181 1 1388 . 1 1 118 118 GLU CG C 13 35.1 0.2 . 1 . . . . . . . . 5181 1 1389 . 1 1 118 118 GLU HG3 H 1 0.700 0.005 . 2 . . . . . . . . 5181 1 1390 . 1 1 118 118 GLU HG2 H 1 1.100 0.005 . 2 . . . . . . . . 5181 1 1391 . 1 1 119 119 GLN N N 15 118.2 0.2 . 1 . . . . . . . . 5181 1 1392 . 1 1 119 119 GLN H H 1 8.262 0.005 . 1 . . . . . . . . 5181 1 1393 . 1 1 119 119 GLN C C 13 175.1 0.2 . 1 . . . . . . . . 5181 1 1394 . 1 1 119 119 GLN CA C 13 54.6 0.2 . 1 . . . . . . . . 5181 1 1395 . 1 1 119 119 GLN HA H 1 4.048 0.005 . 1 . . . . . . . . 5181 1 1396 . 1 1 119 119 GLN CB C 13 30.2 0.2 . 1 . . . . . . . . 5181 1 1397 . 1 1 119 119 GLN HB3 H 1 1.748 0.005 . 2 . . . . . . . . 5181 1 1398 . 1 1 119 119 GLN HB2 H 1 2.031 0.005 . 2 . . . . . . . . 5181 1 1399 . 1 1 119 119 GLN CG C 13 35.6 0.2 . 1 . . . . . . . . 5181 1 1400 . 1 1 119 119 GLN HG3 H 1 1.920 0.005 . 2 . . . . . . . . 5181 1 1401 . 1 1 119 119 GLN HG2 H 1 2.030 0.005 . 2 . . . . . . . . 5181 1 1402 . 1 1 119 119 GLN NE2 N 15 116.6 0.2 . 1 . . . . . . . . 5181 1 1403 . 1 1 119 119 GLN HE21 H 1 7.140 0.005 . 2 . . . . . . . . 5181 1 1404 . 1 1 119 119 GLN HE22 H 1 7.190 0.005 . 2 . . . . . . . . 5181 1 1405 . 1 1 120 120 GLN N N 15 121.8 0.2 . 1 . . . . . . . . 5181 1 1406 . 1 1 120 120 GLN H H 1 8.258 0.005 . 1 . . . . . . . . 5181 1 1407 . 1 1 120 120 GLN C C 13 175.2 0.2 . 1 . . . . . . . . 5181 1 1408 . 1 1 120 120 GLN CA C 13 55.4 0.2 . 1 . . . . . . . . 5181 1 1409 . 1 1 120 120 GLN HA H 1 4.698 0.005 . 1 . . . . . . . . 5181 1 1410 . 1 1 120 120 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 5181 1 1411 . 1 1 120 120 GLN HB3 H 1 2.031 0.005 . 2 . . . . . . . . 5181 1 1412 . 1 1 120 120 GLN HB2 H 1 2.060 0.005 . 2 . . . . . . . . 5181 1 1413 . 1 1 120 120 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 5181 1 1414 . 1 1 120 120 GLN HG3 H 1 2.250 0.005 . 2 . . . . . . . . 5181 1 1415 . 1 1 120 120 GLN HG2 H 1 2.390 0.005 . 2 . . . . . . . . 5181 1 1416 . 1 1 120 120 GLN NE2 N 15 112.0 0.2 . 1 . . . . . . . . 5181 1 1417 . 1 1 120 120 GLN HE21 H 1 6.640 0.005 . 2 . . . . . . . . 5181 1 1418 . 1 1 120 120 GLN HE22 H 1 7.480 0.005 . 2 . . . . . . . . 5181 1 1419 . 1 1 121 121 ILE N N 15 126.3 0.2 . 1 . . . . . . . . 5181 1 1420 . 1 1 121 121 ILE H H 1 8.578 0.005 . 1 . . . . . . . . 5181 1 1421 . 1 1 121 121 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 5181 1 1422 . 1 1 121 121 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 5181 1 1423 . 1 1 121 121 ILE HA H 1 4.486 0.005 . 1 . . . . . . . . 5181 1 1424 . 1 1 121 121 ILE CB C 13 37.0 0.2 . 1 . . . . . . . . 5181 1 1425 . 1 1 121 121 ILE HB H 1 1.913 0.005 . 1 . . . . . . . . 5181 1 1426 . 1 1 121 121 ILE CG1 C 13 27.4 0.2 . 1 . . . . . . . . 5181 1 1427 . 1 1 121 121 ILE HG13 H 1 0.960 0.005 . 2 . . . . . . . . 5181 1 1428 . 1 1 121 121 ILE HG12 H 1 1.470 0.005 . 2 . . . . . . . . 5181 1 1429 . 1 1 121 121 ILE CG2 C 13 18.7 0.2 . 1 . . . . . . . . 5181 1 1430 . 1 1 121 121 ILE HG21 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1431 . 1 1 121 121 ILE HG22 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1432 . 1 1 121 121 ILE HG23 H 1 1.070 0.005 . 1 . . . . . . . . 5181 1 1433 . 1 1 121 121 ILE CD1 C 13 10.7 0.2 . 1 . . . . . . . . 5181 1 1434 . 1 1 121 121 ILE HD11 H 1 0.420 0.005 . 1 . . . . . . . . 5181 1 1435 . 1 1 121 121 ILE HD12 H 1 0.420 0.005 . 1 . . . . . . . . 5181 1 1436 . 1 1 121 121 ILE HD13 H 1 0.420 0.005 . 1 . . . . . . . . 5181 1 1437 . 1 1 122 122 THR N N 15 117.9 0.2 . 1 . . . . . . . . 5181 1 1438 . 1 1 122 122 THR H H 1 8.780 0.005 . 1 . . . . . . . . 5181 1 1439 . 1 1 122 122 THR C C 13 174.6 0.2 . 1 . . . . . . . . 5181 1 1440 . 1 1 122 122 THR CA C 13 59.9 0.2 . 1 . . . . . . . . 5181 1 1441 . 1 1 122 122 THR HA H 1 5.236 0.005 . 1 . . . . . . . . 5181 1 1442 . 1 1 122 122 THR CB C 13 71.3 0.2 . 1 . . . . . . . . 5181 1 1443 . 1 1 122 122 THR HB H 1 4.836 0.005 . 1 . . . . . . . . 5181 1 1444 . 1 1 122 122 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 5181 1 1445 . 1 1 122 122 THR HG21 H 1 1.310 0.005 . 1 . . . . . . . . 5181 1 1446 . 1 1 122 122 THR HG22 H 1 1.310 0.005 . 1 . . . . . . . . 5181 1 1447 . 1 1 122 122 THR HG23 H 1 1.310 0.005 . 1 . . . . . . . . 5181 1 1448 . 1 1 123 123 THR N N 15 106.0 0.2 . 1 . . . . . . . . 5181 1 1449 . 1 1 123 123 THR H H 1 8.141 0.005 . 1 . . . . . . . . 5181 1 1450 . 1 1 123 123 THR C C 13 175.6 0.2 . 1 . . . . . . . . 5181 1 1451 . 1 1 123 123 THR CA C 13 62.6 0.2 . 1 . . . . . . . . 5181 1 1452 . 1 1 123 123 THR HA H 1 5.185 0.005 . 1 . . . . . . . . 5181 1 1453 . 1 1 123 123 THR CB C 13 69.6 0.2 . 1 . . . . . . . . 5181 1 1454 . 1 1 123 123 THR HB H 1 4.535 0.005 . 1 . . . . . . . . 5181 1 1455 . 1 1 123 123 THR CG2 C 13 21.8 0.2 . 1 . . . . . . . . 5181 1 1456 . 1 1 123 123 THR HG21 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1457 . 1 1 123 123 THR HG22 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1458 . 1 1 123 123 THR HG23 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1459 . 1 1 124 124 GLU N N 15 122.6 0.2 . 1 . . . . . . . . 5181 1 1460 . 1 1 124 124 GLU H H 1 8.017 0.005 . 1 . . . . . . . . 5181 1 1461 . 1 1 124 124 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 1462 . 1 1 124 124 GLU CA C 13 54.1 0.2 . 1 . . . . . . . . 5181 1 1463 . 1 1 124 124 GLU HA H 1 4.699 0.005 . 1 . . . . . . . . 5181 1 1464 . 1 1 124 124 GLU CB C 13 32.1 0.2 . 1 . . . . . . . . 5181 1 1465 . 1 1 124 124 GLU HB3 H 1 1.895 0.005 . 2 . . . . . . . . 5181 1 1466 . 1 1 124 124 GLU HB2 H 1 2.101 0.005 . 2 . . . . . . . . 5181 1 1467 . 1 1 124 124 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 5181 1 1468 . 1 1 124 124 GLU HG3 H 1 2.320 0.005 . 1 . . . . . . . . 5181 1 1469 . 1 1 124 124 GLU HG2 H 1 2.320 0.005 . 1 . . . . . . . . 5181 1 1470 . 1 1 125 125 TRP N N 15 121.4 0.2 . 1 . . . . . . . . 5181 1 1471 . 1 1 125 125 TRP H H 1 8.614 0.005 . 1 . . . . . . . . 5181 1 1472 . 1 1 125 125 TRP C C 13 177.5 0.2 . 1 . . . . . . . . 5181 1 1473 . 1 1 125 125 TRP CA C 13 59.3 0.2 . 1 . . . . . . . . 5181 1 1474 . 1 1 125 125 TRP HA H 1 4.606 0.005 . 1 . . . . . . . . 5181 1 1475 . 1 1 125 125 TRP CB C 13 30.3 0.2 . 1 . . . . . . . . 5181 1 1476 . 1 1 125 125 TRP HB3 H 1 3.250 0.005 . 2 . . . . . . . . 5181 1 1477 . 1 1 125 125 TRP HB2 H 1 3.360 0.005 . 2 . . . . . . . . 5181 1 1478 . 1 1 125 125 TRP CD1 C 13 128.4 0.2 . 1 . . . . . . . . 5181 1 1479 . 1 1 125 125 TRP HD1 H 1 7.340 0.005 . 1 . . . . . . . . 5181 1 1480 . 1 1 125 125 TRP NE1 N 15 130.4 0.2 . 1 . . . . . . . . 5181 1 1481 . 1 1 125 125 TRP HE1 H 1 9.600 0.005 . 1 . . . . . . . . 5181 1 1482 . 1 1 125 125 TRP CE3 C 13 119.7 0.2 . 1 . . . . . . . . 5181 1 1483 . 1 1 125 125 TRP HE3 H 1 7.440 0.005 . 1 . . . . . . . . 5181 1 1484 . 1 1 125 125 TRP CZ2 C 13 114.8 0.2 . 1 . . . . . . . . 5181 1 1485 . 1 1 125 125 TRP HZ2 H 1 7.230 0.005 . 1 . . . . . . . . 5181 1 1486 . 1 1 125 125 TRP CZ3 C 13 122.3 0.2 . 1 . . . . . . . . 5181 1 1487 . 1 1 125 125 TRP HZ3 H 1 7.120 0.005 . 1 . . . . . . . . 5181 1 1488 . 1 1 125 125 TRP CH2 C 13 124.6 0.2 . 1 . . . . . . . . 5181 1 1489 . 1 1 125 125 TRP HH2 H 1 6.810 0.005 . 1 . . . . . . . . 5181 1 1490 . 1 1 126 126 GLN N N 15 121.9 0.2 . 1 . . . . . . . . 5181 1 1491 . 1 1 126 126 GLN H H 1 8.577 0.005 . 1 . . . . . . . . 5181 1 1492 . 1 1 126 126 GLN C C 13 172.0 0.2 . 1 . . . . . . . . 5181 1 1493 . 1 1 126 126 GLN CA C 13 53.2 0.2 . 1 . . . . . . . . 5181 1 1494 . 1 1 126 126 GLN HA H 1 5.030 0.005 . 1 . . . . . . . . 5181 1 1495 . 1 1 126 126 GLN CB C 13 33.2 0.2 . 1 . . . . . . . . 5181 1 1496 . 1 1 126 126 GLN HB3 H 1 1.820 0.005 . 2 . . . . . . . . 5181 1 1497 . 1 1 126 126 GLN HB2 H 1 2.040 0.005 . 2 . . . . . . . . 5181 1 1498 . 1 1 126 126 GLN CG C 13 34.8 0.2 . 1 . . . . . . . . 5181 1 1499 . 1 1 126 126 GLN HG3 H 1 2.290 0.005 . 2 . . . . . . . . 5181 1 1500 . 1 1 126 126 GLN HG2 H 1 2.390 0.005 . 2 . . . . . . . . 5181 1 1501 . 1 1 126 126 GLN NE2 N 15 112.4 0.2 . 1 . . . . . . . . 5181 1 1502 . 1 1 126 126 GLN HE21 H 1 7.120 0.005 . 2 . . . . . . . . 5181 1 1503 . 1 1 126 126 GLN HE22 H 1 7.870 0.005 . 2 . . . . . . . . 5181 1 1504 . 1 1 127 127 PRO C C 13 176.3 0.2 . 1 . . . . . . . . 5181 1 1505 . 1 1 127 127 PRO CA C 13 60.2 0.2 . 1 . . . . . . . . 5181 1 1506 . 1 1 127 127 PRO HA H 1 4.601 0.005 . 1 . . . . . . . . 5181 1 1507 . 1 1 127 127 PRO CB C 13 30.3 0.2 . 1 . . . . . . . . 5181 1 1508 . 1 1 127 127 PRO HB3 H 1 0.040 0.005 . 2 . . . . . . . . 5181 1 1509 . 1 1 127 127 PRO HB2 H 1 1.038 0.005 . 2 . . . . . . . . 5181 1 1510 . 1 1 127 127 PRO CG C 13 25.4 0.2 . 1 . . . . . . . . 5181 1 1511 . 1 1 127 127 PRO HG3 H 1 1.420 0.005 . 2 . . . . . . . . 5181 1 1512 . 1 1 127 127 PRO HG2 H 1 1.730 0.005 . 2 . . . . . . . . 5181 1 1513 . 1 1 127 127 PRO CD C 13 49.4 0.2 . 1 . . . . . . . . 5181 1 1514 . 1 1 127 127 PRO HD3 H 1 3.270 0.005 . 2 . . . . . . . . 5181 1 1515 . 1 1 127 127 PRO HD2 H 1 3.430 0.005 . 2 . . . . . . . . 5181 1 1516 . 1 1 128 128 PHE N N 15 122.5 0.2 . 1 . . . . . . . . 5181 1 1517 . 1 1 128 128 PHE H H 1 9.208 0.005 . 1 . . . . . . . . 5181 1 1518 . 1 1 128 128 PHE C C 13 174.7 0.2 . 1 . . . . . . . . 5181 1 1519 . 1 1 128 128 PHE CA C 13 57.8 0.2 . 1 . . . . . . . . 5181 1 1520 . 1 1 128 128 PHE HA H 1 4.532 0.005 . 1 . . . . . . . . 5181 1 1521 . 1 1 128 128 PHE CB C 13 41.1 0.2 . 1 . . . . . . . . 5181 1 1522 . 1 1 128 128 PHE HB2 H 1 2.263 0.005 . 1 . . . . . . . . 5181 1 1523 . 1 1 128 128 PHE HB3 H 1 2.578 0.005 . 1 . . . . . . . . 5181 1 1524 . 1 1 128 128 PHE CD1 C 13 132.0 0.2 . 1 . . . . . . . . 5181 1 1525 . 1 1 128 128 PHE CD2 C 13 132.0 0.2 . 1 . . . . . . . . 5181 1 1526 . 1 1 128 128 PHE HD1 H 1 7.200 0.005 . 1 . . . . . . . . 5181 1 1527 . 1 1 128 128 PHE HD2 H 1 7.200 0.005 . 1 . . . . . . . . 5181 1 1528 . 1 1 128 128 PHE CE1 C 13 131.7 0.2 . 1 . . . . . . . . 5181 1 1529 . 1 1 128 128 PHE CE2 C 13 131.7 0.2 . 1 . . . . . . . . 5181 1 1530 . 1 1 128 128 PHE HE1 H 1 7.520 0.005 . 1 . . . . . . . . 5181 1 1531 . 1 1 128 128 PHE HE2 H 1 7.520 0.005 . 1 . . . . . . . . 5181 1 1532 . 1 1 128 128 PHE CZ C 13 129.7 0.2 . 1 . . . . . . . . 5181 1 1533 . 1 1 128 128 PHE HZ H 1 7.460 0.005 . 1 . . . . . . . . 5181 1 1534 . 1 1 129 129 THR N N 15 115.3 0.2 . 1 . . . . . . . . 5181 1 1535 . 1 1 129 129 THR H H 1 8.336 0.005 . 1 . . . . . . . . 5181 1 1536 . 1 1 129 129 THR C C 13 173.0 0.2 . 1 . . . . . . . . 5181 1 1537 . 1 1 129 129 THR CA C 13 58.8 0.2 . 1 . . . . . . . . 5181 1 1538 . 1 1 129 129 THR HA H 1 6.213 0.005 . 1 . . . . . . . . 5181 1 1539 . 1 1 129 129 THR CB C 13 72.4 0.2 . 1 . . . . . . . . 5181 1 1540 . 1 1 129 129 THR HB H 1 3.970 0.005 . 1 . . . . . . . . 5181 1 1541 . 1 1 129 129 THR CG2 C 13 20.0 0.2 . 1 . . . . . . . . 5181 1 1542 . 1 1 129 129 THR HG21 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1543 . 1 1 129 129 THR HG22 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1544 . 1 1 129 129 THR HG23 H 1 1.160 0.005 . 1 . . . . . . . . 5181 1 1545 . 1 1 130 130 PHE N N 15 121.1 0.2 . 1 . . . . . . . . 5181 1 1546 . 1 1 130 130 PHE H H 1 8.968 0.005 . 1 . . . . . . . . 5181 1 1547 . 1 1 130 130 PHE C C 13 171.8 0.2 . 1 . . . . . . . . 5181 1 1548 . 1 1 130 130 PHE CA C 13 57.1 0.2 . 1 . . . . . . . . 5181 1 1549 . 1 1 130 130 PHE HA H 1 4.972 0.005 . 1 . . . . . . . . 5181 1 1550 . 1 1 130 130 PHE CB C 13 39.9 0.2 . 1 . . . . . . . . 5181 1 1551 . 1 1 130 130 PHE HB3 H 1 3.240 0.005 . 2 . . . . . . . . 5181 1 1552 . 1 1 130 130 PHE HB2 H 1 3.406 0.005 . 2 . . . . . . . . 5181 1 1553 . 1 1 130 130 PHE CD1 C 13 132.2 0.2 . 1 . . . . . . . . 5181 1 1554 . 1 1 130 130 PHE CD2 C 13 132.2 0.2 . 1 . . . . . . . . 5181 1 1555 . 1 1 130 130 PHE HD1 H 1 6.890 0.005 . 1 . . . . . . . . 5181 1 1556 . 1 1 130 130 PHE HD2 H 1 6.890 0.005 . 1 . . . . . . . . 5181 1 1557 . 1 1 130 130 PHE CE1 C 13 129.8 0.2 . 1 . . . . . . . . 5181 1 1558 . 1 1 130 130 PHE CE2 C 13 129.8 0.2 . 1 . . . . . . . . 5181 1 1559 . 1 1 130 130 PHE HE1 H 1 5.920 0.005 . 1 . . . . . . . . 5181 1 1560 . 1 1 130 130 PHE HE2 H 1 5.920 0.005 . 1 . . . . . . . . 5181 1 1561 . 1 1 130 130 PHE CZ C 13 127.9 0.2 . 1 . . . . . . . . 5181 1 1562 . 1 1 130 130 PHE HZ H 1 6.040 0.005 . 1 . . . . . . . . 5181 1 1563 . 1 1 131 131 GLU N N 15 118.2 0.2 . 1 . . . . . . . . 5181 1 1564 . 1 1 131 131 GLU H H 1 8.462 0.005 . 1 . . . . . . . . 5181 1 1565 . 1 1 131 131 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 5181 1 1566 . 1 1 131 131 GLU CA C 13 54.3 0.2 . 1 . . . . . . . . 5181 1 1567 . 1 1 131 131 GLU HA H 1 5.529 0.005 . 1 . . . . . . . . 5181 1 1568 . 1 1 131 131 GLU CB C 13 33.4 0.2 . 1 . . . . . . . . 5181 1 1569 . 1 1 131 131 GLU HB3 H 1 1.850 0.005 . 2 . . . . . . . . 5181 1 1570 . 1 1 131 131 GLU HB2 H 1 1.890 0.005 . 2 . . . . . . . . 5181 1 1571 . 1 1 131 131 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 5181 1 1572 . 1 1 131 131 GLU HG3 H 1 2.180 0.005 . 1 . . . . . . . . 5181 1 1573 . 1 1 131 131 GLU HG2 H 1 2.180 0.005 . 1 . . . . . . . . 5181 1 1574 . 1 1 132 132 PHE N N 15 116.9 0.2 . 1 . . . . . . . . 5181 1 1575 . 1 1 132 132 PHE H H 1 8.743 0.005 . 1 . . . . . . . . 5181 1 1576 . 1 1 132 132 PHE C C 13 171.5 0.2 . 1 . . . . . . . . 5181 1 1577 . 1 1 132 132 PHE CA C 13 56.4 0.2 . 1 . . . . . . . . 5181 1 1578 . 1 1 132 132 PHE HA H 1 5.229 0.005 . 1 . . . . . . . . 5181 1 1579 . 1 1 132 132 PHE CB C 13 41.8 0.2 . 1 . . . . . . . . 5181 1 1580 . 1 1 132 132 PHE HB3 H 1 2.950 0.005 . 2 . . . . . . . . 5181 1 1581 . 1 1 132 132 PHE HB2 H 1 2.990 0.005 . 2 . . . . . . . . 5181 1 1582 . 1 1 132 132 PHE CD1 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 1583 . 1 1 132 132 PHE CD2 C 13 132.5 0.2 . 1 . . . . . . . . 5181 1 1584 . 1 1 132 132 PHE HD1 H 1 6.590 0.005 . 1 . . . . . . . . 5181 1 1585 . 1 1 132 132 PHE HD2 H 1 6.590 0.005 . 1 . . . . . . . . 5181 1 1586 . 1 1 132 132 PHE CZ C 13 129.0 0.2 . 1 . . . . . . . . 5181 1 1587 . 1 1 132 132 PHE HZ H 1 6.480 0.005 . 1 . . . . . . . . 5181 1 1588 . 1 1 133 133 THR N N 15 117.4 0.2 . 1 . . . . . . . . 5181 1 1589 . 1 1 133 133 THR H H 1 8.829 0.005 . 1 . . . . . . . . 5181 1 1590 . 1 1 133 133 THR C C 13 174.1 0.2 . 1 . . . . . . . . 5181 1 1591 . 1 1 133 133 THR CA C 13 61.2 0.2 . 1 . . . . . . . . 5181 1 1592 . 1 1 133 133 THR HA H 1 4.905 0.005 . 1 . . . . . . . . 5181 1 1593 . 1 1 133 133 THR CB C 13 71.5 0.2 . 1 . . . . . . . . 5181 1 1594 . 1 1 133 133 THR HB H 1 3.776 0.005 . 1 . . . . . . . . 5181 1 1595 . 1 1 133 133 THR CG2 C 13 20.7 0.2 . 1 . . . . . . . . 5181 1 1596 . 1 1 133 133 THR HG21 H 1 0.870 0.005 . 1 . . . . . . . . 5181 1 1597 . 1 1 133 133 THR HG22 H 1 0.870 0.005 . 1 . . . . . . . . 5181 1 1598 . 1 1 133 133 THR HG23 H 1 0.870 0.005 . 1 . . . . . . . . 5181 1 1599 . 1 1 134 134 VAL N N 15 126.3 0.2 . 1 . . . . . . . . 5181 1 1600 . 1 1 134 134 VAL H H 1 7.852 0.005 . 1 . . . . . . . . 5181 1 1601 . 1 1 134 134 VAL C C 13 175.6 0.2 . 1 . . . . . . . . 5181 1 1602 . 1 1 134 134 VAL CA C 13 63.4 0.2 . 1 . . . . . . . . 5181 1 1603 . 1 1 134 134 VAL HA H 1 3.216 0.005 . 1 . . . . . . . . 5181 1 1604 . 1 1 134 134 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 5181 1 1605 . 1 1 134 134 VAL HB H 1 2.284 0.005 . 1 . . . . . . . . 5181 1 1606 . 1 1 134 134 VAL CG1 C 13 20.6 0.2 . 1 . . . . . . . . 5181 1 1607 . 1 1 134 134 VAL HG11 H 1 0.970 0.005 . 1 . . . . . . . . 5181 1 1608 . 1 1 134 134 VAL HG12 H 1 0.970 0.005 . 1 . . . . . . . . 5181 1 1609 . 1 1 134 134 VAL HG13 H 1 0.970 0.005 . 1 . . . . . . . . 5181 1 1610 . 1 1 134 134 VAL CG2 C 13 21.9 0.2 . 1 . . . . . . . . 5181 1 1611 . 1 1 134 134 VAL HG21 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 1612 . 1 1 134 134 VAL HG22 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 1613 . 1 1 134 134 VAL HG23 H 1 0.720 0.005 . 1 . . . . . . . . 5181 1 1614 . 1 1 135 135 SER N N 15 122.9 0.2 . 1 . . . . . . . . 5181 1 1615 . 1 1 135 135 SER H H 1 7.283 0.005 . 1 . . . . . . . . 5181 1 1616 . 1 1 135 135 SER C C 13 173.4 0.2 . 1 . . . . . . . . 5181 1 1617 . 1 1 135 135 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 5181 1 1618 . 1 1 135 135 SER HA H 1 4.513 0.005 . 1 . . . . . . . . 5181 1 1619 . 1 1 135 135 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 5181 1 1620 . 1 1 135 135 SER HB3 H 1 3.842 0.005 . 2 . . . . . . . . 5181 1 1621 . 1 1 135 135 SER HB2 H 1 4.310 0.005 . 2 . . . . . . . . 5181 1 1622 . 1 1 136 136 ASP N N 15 124.3 0.2 . 1 . . . . . . . . 5181 1 1623 . 1 1 136 136 ASP H H 1 7.838 0.005 . 1 . . . . . . . . 5181 1 1624 . 1 1 136 136 ASP C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 1625 . 1 1 136 136 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 5181 1 1626 . 1 1 136 136 ASP HA H 1 4.904 0.005 . 1 . . . . . . . . 5181 1 1627 . 1 1 136 136 ASP CB C 13 40.7 0.2 . 1 . . . . . . . . 5181 1 1628 . 1 1 136 136 ASP HB3 H 1 2.812 0.005 . 2 . . . . . . . . 5181 1 1629 . 1 1 136 136 ASP HB2 H 1 3.237 0.005 . 2 . . . . . . . . 5181 1 1630 . 1 1 137 137 GLN N N 15 114.7 0.2 . 1 . . . . . . . . 5181 1 1631 . 1 1 137 137 GLN H H 1 8.071 0.005 . 1 . . . . . . . . 5181 1 1632 . 1 1 137 137 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 5181 1 1633 . 1 1 137 137 GLN CA C 13 54.9 0.2 . 1 . . . . . . . . 5181 1 1634 . 1 1 137 137 GLN HA H 1 4.514 0.005 . 1 . . . . . . . . 5181 1 1635 . 1 1 137 137 GLN CB C 13 28.2 0.2 . 1 . . . . . . . . 5181 1 1636 . 1 1 137 137 GLN HB3 H 1 1.929 0.005 . 2 . . . . . . . . 5181 1 1637 . 1 1 137 137 GLN HB2 H 1 2.423 0.005 . 2 . . . . . . . . 5181 1 1638 . 1 1 137 137 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 5181 1 1639 . 1 1 137 137 GLN HG3 H 1 2.340 0.005 . 1 . . . . . . . . 5181 1 1640 . 1 1 137 137 GLN HG2 H 1 2.340 0.005 . 1 . . . . . . . . 5181 1 1641 . 1 1 137 137 GLN NE2 N 15 112.4 0.2 . 1 . . . . . . . . 5181 1 1642 . 1 1 137 137 GLN HE21 H 1 6.720 0.005 . 2 . . . . . . . . 5181 1 1643 . 1 1 137 137 GLN HE22 H 1 7.480 0.005 . 2 . . . . . . . . 5181 1 1644 . 1 1 138 138 GLU N N 15 120.5 0.2 . 1 . . . . . . . . 5181 1 1645 . 1 1 138 138 GLU H H 1 7.042 0.005 . 1 . . . . . . . . 5181 1 1646 . 1 1 138 138 GLU C C 13 173.4 0.2 . 1 . . . . . . . . 5181 1 1647 . 1 1 138 138 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 5181 1 1648 . 1 1 138 138 GLU HA H 1 4.055 0.005 . 1 . . . . . . . . 5181 1 1649 . 1 1 138 138 GLU CB C 13 30.9 0.2 . 1 . . . . . . . . 5181 1 1650 . 1 1 138 138 GLU HB3 H 1 2.021 0.005 . 1 . . . . . . . . 5181 1 1651 . 1 1 138 138 GLU HB2 H 1 2.021 0.005 . 1 . . . . . . . . 5181 1 1652 . 1 1 138 138 GLU CG C 13 37.2 0.2 . 1 . . . . . . . . 5181 1 1653 . 1 1 138 138 GLU HG3 H 1 2.410 0.005 . 2 . . . . . . . . 5181 1 1654 . 1 1 138 138 GLU HG2 H 1 2.540 0.005 . 2 . . . . . . . . 5181 1 1655 . 1 1 139 139 THR N N 15 103.1 0.2 . 1 . . . . . . . . 5181 1 1656 . 1 1 139 139 THR H H 1 7.949 0.005 . 1 . . . . . . . . 5181 1 1657 . 1 1 139 139 THR C C 13 176.3 0.2 . 1 . . . . . . . . 5181 1 1658 . 1 1 139 139 THR CA C 13 60.5 0.2 . 1 . . . . . . . . 5181 1 1659 . 1 1 139 139 THR HA H 1 4.738 0.005 . 1 . . . . . . . . 5181 1 1660 . 1 1 139 139 THR CB C 13 70.8 0.2 . 1 . . . . . . . . 5181 1 1661 . 1 1 139 139 THR HB H 1 4.473 0.005 . 1 . . . . . . . . 5181 1 1662 . 1 1 139 139 THR CG2 C 13 22.4 0.2 . 1 . . . . . . . . 5181 1 1663 . 1 1 139 139 THR HG21 H 1 1.230 0.005 . 1 . . . . . . . . 5181 1 1664 . 1 1 139 139 THR HG22 H 1 1.230 0.005 . 1 . . . . . . . . 5181 1 1665 . 1 1 139 139 THR HG23 H 1 1.230 0.005 . 1 . . . . . . . . 5181 1 1666 . 1 1 140 140 VAL N N 15 125.9 0.2 . 1 . . . . . . . . 5181 1 1667 . 1 1 140 140 VAL H H 1 8.224 0.005 . 1 . . . . . . . . 5181 1 1668 . 1 1 140 140 VAL C C 13 176.6 0.2 . 1 . . . . . . . . 5181 1 1669 . 1 1 140 140 VAL CA C 13 62.3 0.2 . 1 . . . . . . . . 5181 1 1670 . 1 1 140 140 VAL HA H 1 4.876 0.005 . 1 . . . . . . . . 5181 1 1671 . 1 1 140 140 VAL CB C 13 33.2 0.2 . 1 . . . . . . . . 5181 1 1672 . 1 1 140 140 VAL HB H 1 1.978 0.005 . 1 . . . . . . . . 5181 1 1673 . 1 1 140 140 VAL CG2 C 13 20.6 0.2 . 1 . . . . . . . . 5181 1 1674 . 1 1 140 140 VAL HG21 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 1675 . 1 1 140 140 VAL HG22 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 1676 . 1 1 140 140 VAL HG23 H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 1677 . 1 1 140 140 VAL CG1 C 13 22.7 0.2 . 1 . . . . . . . . 5181 1 1678 . 1 1 140 140 VAL HG11 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 1679 . 1 1 140 140 VAL HG12 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 1680 . 1 1 140 140 VAL HG13 H 1 0.810 0.005 . 1 . . . . . . . . 5181 1 1681 . 1 1 141 141 ILE N N 15 122.7 0.2 . 1 . . . . . . . . 5181 1 1682 . 1 1 141 141 ILE H H 1 9.421 0.005 . 1 . . . . . . . . 5181 1 1683 . 1 1 141 141 ILE C C 13 172.2 0.2 . 1 . . . . . . . . 5181 1 1684 . 1 1 141 141 ILE CA C 13 59.8 0.2 . 1 . . . . . . . . 5181 1 1685 . 1 1 141 141 ILE HA H 1 4.959 0.005 . 1 . . . . . . . . 5181 1 1686 . 1 1 141 141 ILE CB C 13 39.7 0.2 . 1 . . . . . . . . 5181 1 1687 . 1 1 141 141 ILE HB H 1 2.860 0.005 . 1 . . . . . . . . 5181 1 1688 . 1 1 141 141 ILE CG1 C 13 25.6 0.2 . 1 . . . . . . . . 5181 1 1689 . 1 1 141 141 ILE HG13 H 1 0.980 0.005 . 2 . . . . . . . . 5181 1 1690 . 1 1 141 141 ILE HG12 H 1 1.130 0.005 . 2 . . . . . . . . 5181 1 1691 . 1 1 141 141 ILE CG2 C 13 17.9 0.2 . 1 . . . . . . . . 5181 1 1692 . 1 1 141 141 ILE HG21 H 1 0.980 0.005 . 1 . . . . . . . . 5181 1 1693 . 1 1 141 141 ILE HG22 H 1 0.980 0.005 . 1 . . . . . . . . 5181 1 1694 . 1 1 141 141 ILE HG23 H 1 0.980 0.005 . 1 . . . . . . . . 5181 1 1695 . 1 1 141 141 ILE CD1 C 13 15.9 0.2 . 1 . . . . . . . . 5181 1 1696 . 1 1 141 141 ILE HD11 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1697 . 1 1 141 141 ILE HD12 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1698 . 1 1 141 141 ILE HD13 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1699 . 1 1 142 142 ARG N N 15 113.7 0.2 . 1 . . . . . . . . 5181 1 1700 . 1 1 142 142 ARG H H 1 8.827 0.005 . 1 . . . . . . . . 5181 1 1701 . 1 1 142 142 ARG C C 13 175.0 0.2 . 1 . . . . . . . . 5181 1 1702 . 1 1 142 142 ARG CA C 13 54.1 0.2 . 1 . . . . . . . . 5181 1 1703 . 1 1 142 142 ARG HA H 1 5.393 0.005 . 1 . . . . . . . . 5181 1 1704 . 1 1 142 142 ARG CB C 13 35.2 0.2 . 1 . . . . . . . . 5181 1 1705 . 1 1 142 142 ARG HB3 H 1 1.643 0.005 . 2 . . . . . . . . 5181 1 1706 . 1 1 142 142 ARG HB2 H 1 1.754 0.005 . 2 . . . . . . . . 5181 1 1707 . 1 1 142 142 ARG CG C 13 27.8 0.2 . 1 . . . . . . . . 5181 1 1708 . 1 1 142 142 ARG HG3 H 1 1.160 0.005 . 2 . . . . . . . . 5181 1 1709 . 1 1 142 142 ARG HG2 H 1 1.330 0.005 . 2 . . . . . . . . 5181 1 1710 . 1 1 142 142 ARG CD C 13 44.1 0.2 . 1 . . . . . . . . 5181 1 1711 . 1 1 142 142 ARG HD3 H 1 2.770 0.005 . 2 . . . . . . . . 5181 1 1712 . 1 1 142 142 ARG HD2 H 1 2.880 0.005 . 2 . . . . . . . . 5181 1 1713 . 1 1 142 142 ARG NE N 15 82.9 0.2 . 1 . . . . . . . . 5181 1 1714 . 1 1 142 142 ARG HE H 1 7.000 0.005 . 1 . . . . . . . . 5181 1 1715 . 1 1 143 143 ALA N N 15 121.5 0.2 . 1 . . . . . . . . 5181 1 1716 . 1 1 143 143 ALA H H 1 8.866 0.005 . 1 . . . . . . . . 5181 1 1717 . 1 1 143 143 ALA C C 13 174.8 0.2 . 1 . . . . . . . . 5181 1 1718 . 1 1 143 143 ALA CA C 13 49.1 0.2 . 1 . . . . . . . . 5181 1 1719 . 1 1 143 143 ALA HA H 1 5.546 0.005 . 1 . . . . . . . . 5181 1 1720 . 1 1 143 143 ALA CB C 13 20.4 0.2 . 1 . . . . . . . . 5181 1 1721 . 1 1 143 143 ALA HB1 H 1 1.470 0.005 . 1 . . . . . . . . 5181 1 1722 . 1 1 143 143 ALA HB2 H 1 1.470 0.005 . 1 . . . . . . . . 5181 1 1723 . 1 1 143 143 ALA HB3 H 1 1.470 0.005 . 1 . . . . . . . . 5181 1 1724 . 1 1 144 144 PRO C C 13 176.9 0.2 . 1 . . . . . . . . 5181 1 1725 . 1 1 144 144 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 5181 1 1726 . 1 1 144 144 PRO HA H 1 5.074 0.005 . 1 . . . . . . . . 5181 1 1727 . 1 1 144 144 PRO CB C 13 32.7 0.2 . 1 . . . . . . . . 5181 1 1728 . 1 1 144 144 PRO HB3 H 1 1.623 0.005 . 2 . . . . . . . . 5181 1 1729 . 1 1 144 144 PRO HB2 H 1 2.648 0.005 . 2 . . . . . . . . 5181 1 1730 . 1 1 144 144 PRO CG C 13 28.2 0.2 . 1 . . . . . . . . 5181 1 1731 . 1 1 144 144 PRO HG3 H 1 1.670 0.005 . 2 . . . . . . . . 5181 1 1732 . 1 1 144 144 PRO HG2 H 1 1.770 0.005 . 2 . . . . . . . . 5181 1 1733 . 1 1 144 144 PRO CD C 13 50.1 0.2 . 1 . . . . . . . . 5181 1 1734 . 1 1 144 144 PRO HD3 H 1 3.420 0.005 . 2 . . . . . . . . 5181 1 1735 . 1 1 144 144 PRO HD2 H 1 3.530 0.005 . 2 . . . . . . . . 5181 1 1736 . 1 1 145 145 ILE N N 15 131.3 0.2 . 1 . . . . . . . . 5181 1 1737 . 1 1 145 145 ILE H H 1 9.607 0.005 . 1 . . . . . . . . 5181 1 1738 . 1 1 145 145 ILE C C 13 175.4 0.2 . 1 . . . . . . . . 5181 1 1739 . 1 1 145 145 ILE CA C 13 61.9 0.2 . 1 . . . . . . . . 5181 1 1740 . 1 1 145 145 ILE HA H 1 4.570 0.005 . 1 . . . . . . . . 5181 1 1741 . 1 1 145 145 ILE CB C 13 38.9 0.2 . 1 . . . . . . . . 5181 1 1742 . 1 1 145 145 ILE HB H 1 2.404 0.005 . 1 . . . . . . . . 5181 1 1743 . 1 1 145 145 ILE CG1 C 13 29.3 0.2 . 1 . . . . . . . . 5181 1 1744 . 1 1 145 145 ILE HG13 H 1 1.480 0.005 . 2 . . . . . . . . 5181 1 1745 . 1 1 145 145 ILE HG12 H 1 2.510 0.005 . 2 . . . . . . . . 5181 1 1746 . 1 1 145 145 ILE CG2 C 13 19.8 0.2 . 1 . . . . . . . . 5181 1 1747 . 1 1 145 145 ILE HG21 H 1 0.190 0.005 . 1 . . . . . . . . 5181 1 1748 . 1 1 145 145 ILE HG22 H 1 0.190 0.005 . 1 . . . . . . . . 5181 1 1749 . 1 1 145 145 ILE HG23 H 1 0.190 0.005 . 1 . . . . . . . . 5181 1 1750 . 1 1 145 145 ILE CD1 C 13 16.4 0.2 . 1 . . . . . . . . 5181 1 1751 . 1 1 145 145 ILE HD11 H 1 1.580 0.005 . 1 . . . . . . . . 5181 1 1752 . 1 1 145 145 ILE HD12 H 1 1.580 0.005 . 1 . . . . . . . . 5181 1 1753 . 1 1 145 145 ILE HD13 H 1 1.580 0.005 . 1 . . . . . . . . 5181 1 1754 . 1 1 146 146 HIS N N 15 124.6 0.2 . 1 . . . . . . . . 5181 1 1755 . 1 1 146 146 HIS H H 1 8.568 0.005 . 1 . . . . . . . . 5181 1 1756 . 1 1 146 146 HIS C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 1757 . 1 1 146 146 HIS CA C 13 53.6 0.2 . 1 . . . . . . . . 5181 1 1758 . 1 1 146 146 HIS HA H 1 5.196 0.005 . 1 . . . . . . . . 5181 1 1759 . 1 1 146 146 HIS CB C 13 34.2 0.2 . 1 . . . . . . . . 5181 1 1760 . 1 1 146 146 HIS HB3 H 1 2.854 0.005 . 2 . . . . . . . . 5181 1 1761 . 1 1 146 146 HIS HB2 H 1 3.166 0.005 . 2 . . . . . . . . 5181 1 1762 . 1 1 146 146 HIS CD2 C 13 114.4 0.2 . 1 . . . . . . . . 5181 1 1763 . 1 1 146 146 HIS HD2 H 1 6.830 0.005 . 1 . . . . . . . . 5181 1 1764 . 1 1 146 146 HIS CE1 C 13 139.0 0.2 . 1 . . . . . . . . 5181 1 1765 . 1 1 146 146 HIS HE1 H 1 7.850 0.005 . 1 . . . . . . . . 5181 1 1766 . 1 1 147 147 PHE N N 15 115.4 0.2 . 1 . . . . . . . . 5181 1 1767 . 1 1 147 147 PHE H H 1 8.918 0.005 . 1 . . . . . . . . 5181 1 1768 . 1 1 147 147 PHE C C 13 178.3 0.2 . 1 . . . . . . . . 5181 1 1769 . 1 1 147 147 PHE CA C 13 57.3 0.2 . 1 . . . . . . . . 5181 1 1770 . 1 1 147 147 PHE HA H 1 5.031 0.005 . 1 . . . . . . . . 5181 1 1771 . 1 1 147 147 PHE CB C 13 41.6 0.2 . 1 . . . . . . . . 5181 1 1772 . 1 1 147 147 PHE HB3 H 1 2.554 0.005 . 2 . . . . . . . . 5181 1 1773 . 1 1 147 147 PHE HB2 H 1 3.301 0.005 . 2 . . . . . . . . 5181 1 1774 . 1 1 147 147 PHE CD1 C 13 132.0 0.2 . 1 . . . . . . . . 5181 1 1775 . 1 1 147 147 PHE CD2 C 13 132.0 0.2 . 1 . . . . . . . . 5181 1 1776 . 1 1 147 147 PHE HD1 H 1 7.190 0.005 . 1 . . . . . . . . 5181 1 1777 . 1 1 147 147 PHE HD2 H 1 7.190 0.005 . 1 . . . . . . . . 5181 1 1778 . 1 1 147 147 PHE CE1 C 13 130.8 0.2 . 1 . . . . . . . . 5181 1 1779 . 1 1 147 147 PHE CE2 C 13 130.8 0.2 . 1 . . . . . . . . 5181 1 1780 . 1 1 147 147 PHE HE1 H 1 7.380 0.005 . 1 . . . . . . . . 5181 1 1781 . 1 1 147 147 PHE HE2 H 1 7.380 0.005 . 1 . . . . . . . . 5181 1 1782 . 1 1 148 148 GLY N N 15 111.5 0.2 . 1 . . . . . . . . 5181 1 1783 . 1 1 148 148 GLY H H 1 8.946 0.005 . 1 . . . . . . . . 5181 1 1784 . 1 1 148 148 GLY C C 13 173.2 0.2 . 1 . . . . . . . . 5181 1 1785 . 1 1 148 148 GLY CA C 13 48.2 0.2 . 1 . . . . . . . . 5181 1 1786 . 1 1 148 148 GLY HA3 H 1 3.559 0.005 . 2 . . . . . . . . 5181 1 1787 . 1 1 148 148 GLY HA2 H 1 4.069 0.005 . 2 . . . . . . . . 5181 1 1788 . 1 1 149 149 TYR N N 15 124.1 0.2 . 1 . . . . . . . . 5181 1 1789 . 1 1 149 149 TYR H H 1 8.117 0.005 . 1 . . . . . . . . 5181 1 1790 . 1 1 149 149 TYR C C 13 176.3 0.2 . 1 . . . . . . . . 5181 1 1791 . 1 1 149 149 TYR CA C 13 57.7 0.2 . 1 . . . . . . . . 5181 1 1792 . 1 1 149 149 TYR HA H 1 4.343 0.005 . 1 . . . . . . . . 5181 1 1793 . 1 1 149 149 TYR CB C 13 40.0 0.2 . 1 . . . . . . . . 5181 1 1794 . 1 1 149 149 TYR HB3 H 1 2.541 0.005 . 2 . . . . . . . . 5181 1 1795 . 1 1 149 149 TYR HB2 H 1 3.147 0.005 . 2 . . . . . . . . 5181 1 1796 . 1 1 149 149 TYR CD1 C 13 133.8 0.2 . 1 . . . . . . . . 5181 1 1797 . 1 1 149 149 TYR CD2 C 13 133.8 0.2 . 1 . . . . . . . . 5181 1 1798 . 1 1 149 149 TYR HD1 H 1 6.920 0.005 . 1 . . . . . . . . 5181 1 1799 . 1 1 149 149 TYR HD2 H 1 6.920 0.005 . 1 . . . . . . . . 5181 1 1800 . 1 1 149 149 TYR CE1 C 13 117.4 0.2 . 1 . . . . . . . . 5181 1 1801 . 1 1 149 149 TYR CE2 C 13 117.4 0.2 . 1 . . . . . . . . 5181 1 1802 . 1 1 149 149 TYR HE1 H 1 6.720 0.005 . 1 . . . . . . . . 5181 1 1803 . 1 1 149 149 TYR HE2 H 1 6.720 0.005 . 1 . . . . . . . . 5181 1 1804 . 1 1 150 150 ALA N N 15 128.2 0.2 . 1 . . . . . . . . 5181 1 1805 . 1 1 150 150 ALA H H 1 9.161 0.005 . 1 . . . . . . . . 5181 1 1806 . 1 1 150 150 ALA C C 13 179.0 0.2 . 1 . . . . . . . . 5181 1 1807 . 1 1 150 150 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 5181 1 1808 . 1 1 150 150 ALA HA H 1 3.837 0.005 . 1 . . . . . . . . 5181 1 1809 . 1 1 150 150 ALA CB C 13 17.7 0.2 . 1 . . . . . . . . 5181 1 1810 . 1 1 150 150 ALA HB1 H 1 1.434 0.005 . 1 . . . . . . . . 5181 1 1811 . 1 1 150 150 ALA HB2 H 1 1.434 0.005 . 1 . . . . . . . . 5181 1 1812 . 1 1 150 150 ALA HB3 H 1 1.434 0.005 . 1 . . . . . . . . 5181 1 1813 . 1 1 151 151 ALA N N 15 118.4 0.2 . 1 . . . . . . . . 5181 1 1814 . 1 1 151 151 ALA H H 1 8.258 0.005 . 1 . . . . . . . . 5181 1 1815 . 1 1 151 151 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 5181 1 1816 . 1 1 151 151 ALA CA C 13 54.0 0.2 . 1 . . . . . . . . 5181 1 1817 . 1 1 151 151 ALA HA H 1 4.067 0.005 . 1 . . . . . . . . 5181 1 1818 . 1 1 151 151 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 5181 1 1819 . 1 1 151 151 ALA HB1 H 1 1.377 0.005 . 1 . . . . . . . . 5181 1 1820 . 1 1 151 151 ALA HB2 H 1 1.377 0.005 . 1 . . . . . . . . 5181 1 1821 . 1 1 151 151 ALA HB3 H 1 1.377 0.005 . 1 . . . . . . . . 5181 1 1822 . 1 1 152 152 ASN N N 15 113.4 0.2 . 1 . . . . . . . . 5181 1 1823 . 1 1 152 152 ASN H H 1 7.975 0.005 . 1 . . . . . . . . 5181 1 1824 . 1 1 152 152 ASN C C 13 175.4 0.2 . 1 . . . . . . . . 5181 1 1825 . 1 1 152 152 ASN CA C 13 53.2 0.2 . 1 . . . . . . . . 5181 1 1826 . 1 1 152 152 ASN HA H 1 4.592 0.005 . 1 . . . . . . . . 5181 1 1827 . 1 1 152 152 ASN CB C 13 39.0 0.2 . 1 . . . . . . . . 5181 1 1828 . 1 1 152 152 ASN HB3 H 1 2.930 0.005 . 2 . . . . . . . . 5181 1 1829 . 1 1 152 152 ASN HB2 H 1 3.066 0.005 . 2 . . . . . . . . 5181 1 1830 . 1 1 152 152 ASN ND2 N 15 108.6 0.2 . 1 . . . . . . . . 5181 1 1831 . 1 1 152 152 ASN HD21 H 1 7.850 0.005 . 2 . . . . . . . . 5181 1 1832 . 1 1 152 152 ASN HD22 H 1 9.070 0.005 . 2 . . . . . . . . 5181 1 1833 . 1 1 153 153 VAL N N 15 119.6 0.2 . 1 . . . . . . . . 5181 1 1834 . 1 1 153 153 VAL H H 1 7.206 0.005 . 1 . . . . . . . . 5181 1 1835 . 1 1 153 153 VAL C C 13 177.7 0.2 . 1 . . . . . . . . 5181 1 1836 . 1 1 153 153 VAL CA C 13 65.8 0.2 . 1 . . . . . . . . 5181 1 1837 . 1 1 153 153 VAL HA H 1 3.331 0.005 . 1 . . . . . . . . 5181 1 1838 . 1 1 153 153 VAL CB C 13 30.7 0.2 . 1 . . . . . . . . 5181 1 1839 . 1 1 153 153 VAL HB H 1 1.992 0.005 . 1 . . . . . . . . 5181 1 1840 . 1 1 153 153 VAL CG1 C 13 20.9 0.2 . 1 . . . . . . . . 5181 1 1841 . 1 1 153 153 VAL HG11 H 1 0.780 0.005 . 1 . . . . . . . . 5181 1 1842 . 1 1 153 153 VAL HG12 H 1 0.780 0.005 . 1 . . . . . . . . 5181 1 1843 . 1 1 153 153 VAL HG13 H 1 0.780 0.005 . 1 . . . . . . . . 5181 1 1844 . 1 1 153 153 VAL CG2 C 13 23.3 0.2 . 1 . . . . . . . . 5181 1 1845 . 1 1 153 153 VAL HG21 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 1846 . 1 1 153 153 VAL HG22 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 1847 . 1 1 153 153 VAL HG23 H 1 0.920 0.005 . 1 . . . . . . . . 5181 1 1848 . 1 1 154 154 GLY N N 15 116.8 0.2 . 1 . . . . . . . . 5181 1 1849 . 1 1 154 154 GLY H H 1 8.969 0.005 . 1 . . . . . . . . 5181 1 1850 . 1 1 154 154 GLY C C 13 172.9 0.2 . 1 . . . . . . . . 5181 1 1851 . 1 1 154 154 GLY CA C 13 45.2 0.2 . 1 . . . . . . . . 5181 1 1852 . 1 1 154 154 GLY HA3 H 1 3.825 0.005 . 2 . . . . . . . . 5181 1 1853 . 1 1 154 154 GLY HA2 H 1 4.288 0.005 . 2 . . . . . . . . 5181 1 1854 . 1 1 155 155 ASN N N 15 122.6 0.2 . 1 . . . . . . . . 5181 1 1855 . 1 1 155 155 ASN H H 1 8.617 0.005 . 1 . . . . . . . . 5181 1 1856 . 1 1 155 155 ASN C C 13 174.0 0.2 . 1 . . . . . . . . 5181 1 1857 . 1 1 155 155 ASN CA C 13 49.6 0.2 . 1 . . . . . . . . 5181 1 1858 . 1 1 155 155 ASN HA H 1 4.948 0.005 . 1 . . . . . . . . 5181 1 1859 . 1 1 155 155 ASN CB C 13 41.3 0.2 . 1 . . . . . . . . 5181 1 1860 . 1 1 155 155 ASN HB3 H 1 2.671 0.005 . 1 . . . . . . . . 5181 1 1861 . 1 1 155 155 ASN HB2 H 1 2.671 0.005 . 1 . . . . . . . . 5181 1 1862 . 1 1 155 155 ASN ND2 N 15 111.0 0.2 . 1 . . . . . . . . 5181 1 1863 . 1 1 155 155 ASN HD21 H 1 7.300 0.005 . 2 . . . . . . . . 5181 1 1864 . 1 1 155 155 ASN HD22 H 1 7.700 0.005 . 2 . . . . . . . . 5181 1 1865 . 1 1 156 156 THR N N 15 116.7 0.2 . 1 . . . . . . . . 5181 1 1866 . 1 1 156 156 THR H H 1 8.757 0.005 . 1 . . . . . . . . 5181 1 1867 . 1 1 156 156 THR C C 13 171.6 0.2 . 1 . . . . . . . . 5181 1 1868 . 1 1 156 156 THR CA C 13 61.9 0.2 . 1 . . . . . . . . 5181 1 1869 . 1 1 156 156 THR HA H 1 4.920 0.005 . 1 . . . . . . . . 5181 1 1870 . 1 1 156 156 THR CB C 13 71.9 0.2 . 1 . . . . . . . . 5181 1 1871 . 1 1 156 156 THR HB H 1 3.489 0.005 . 1 . . . . . . . . 5181 1 1872 . 1 1 156 156 THR CG2 C 13 21.2 0.2 . 1 . . . . . . . . 5181 1 1873 . 1 1 156 156 THR HG21 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 1874 . 1 1 156 156 THR HG22 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 1875 . 1 1 156 156 THR HG23 H 1 0.330 0.005 . 1 . . . . . . . . 5181 1 1876 . 1 1 157 157 ILE N N 15 126.9 0.2 . 1 . . . . . . . . 5181 1 1877 . 1 1 157 157 ILE H H 1 8.782 0.005 . 1 . . . . . . . . 5181 1 1878 . 1 1 157 157 ILE C C 13 172.8 0.2 . 1 . . . . . . . . 5181 1 1879 . 1 1 157 157 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 5181 1 1880 . 1 1 157 157 ILE HA H 1 4.326 0.005 . 1 . . . . . . . . 5181 1 1881 . 1 1 157 157 ILE CB C 13 40.5 0.2 . 1 . . . . . . . . 5181 1 1882 . 1 1 157 157 ILE HB H 1 1.605 0.005 . 1 . . . . . . . . 5181 1 1883 . 1 1 157 157 ILE CG1 C 13 30.7 0.2 . 1 . . . . . . . . 5181 1 1884 . 1 1 157 157 ILE HG13 H 1 1.030 0.005 . 2 . . . . . . . . 5181 1 1885 . 1 1 157 157 ILE HG12 H 1 1.320 0.005 . 2 . . . . . . . . 5181 1 1886 . 1 1 157 157 ILE CG2 C 13 20.2 0.2 . 1 . . . . . . . . 5181 1 1887 . 1 1 157 157 ILE HG21 H 1 1.080 0.005 . 1 . . . . . . . . 5181 1 1888 . 1 1 157 157 ILE HG22 H 1 1.080 0.005 . 1 . . . . . . . . 5181 1 1889 . 1 1 157 157 ILE HG23 H 1 1.080 0.005 . 1 . . . . . . . . 5181 1 1890 . 1 1 157 157 ILE CD1 C 13 15.4 0.2 . 1 . . . . . . . . 5181 1 1891 . 1 1 157 157 ILE HD11 H 1 0.910 0.005 . 1 . . . . . . . . 5181 1 1892 . 1 1 157 157 ILE HD12 H 1 0.910 0.005 . 1 . . . . . . . . 5181 1 1893 . 1 1 157 157 ILE HD13 H 1 0.910 0.005 . 1 . . . . . . . . 5181 1 1894 . 1 1 158 158 TYR N N 15 126.0 0.2 . 1 . . . . . . . . 5181 1 1895 . 1 1 158 158 TYR H H 1 9.460 0.005 . 1 . . . . . . . . 5181 1 1896 . 1 1 158 158 TYR C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 1897 . 1 1 158 158 TYR CA C 13 55.3 0.2 . 1 . . . . . . . . 5181 1 1898 . 1 1 158 158 TYR HA H 1 5.777 0.005 . 1 . . . . . . . . 5181 1 1899 . 1 1 158 158 TYR CB C 13 41.2 0.2 . 1 . . . . . . . . 5181 1 1900 . 1 1 158 158 TYR HB2 H 1 2.344 0.005 . 1 . . . . . . . . 5181 1 1901 . 1 1 158 158 TYR HB3 H 1 2.792 0.005 . 1 . . . . . . . . 5181 1 1902 . 1 1 158 158 TYR CD1 C 13 132.9 0.2 . 1 . . . . . . . . 5181 1 1903 . 1 1 158 158 TYR CD2 C 13 132.9 0.2 . 1 . . . . . . . . 5181 1 1904 . 1 1 158 158 TYR HD1 H 1 6.610 0.005 . 1 . . . . . . . . 5181 1 1905 . 1 1 158 158 TYR HD2 H 1 6.610 0.005 . 1 . . . . . . . . 5181 1 1906 . 1 1 158 158 TYR CE1 C 13 117.9 0.2 . 1 . . . . . . . . 5181 1 1907 . 1 1 158 158 TYR CE2 C 13 117.9 0.2 . 1 . . . . . . . . 5181 1 1908 . 1 1 158 158 TYR HE1 H 1 6.460 0.005 . 1 . . . . . . . . 5181 1 1909 . 1 1 158 158 TYR HE2 H 1 6.460 0.005 . 1 . . . . . . . . 5181 1 1910 . 1 1 159 159 ILE N N 15 114.7 0.2 . 1 . . . . . . . . 5181 1 1911 . 1 1 159 159 ILE H H 1 9.328 0.005 . 1 . . . . . . . . 5181 1 1912 . 1 1 159 159 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 5181 1 1913 . 1 1 159 159 ILE CA C 13 58.5 0.2 . 1 . . . . . . . . 5181 1 1914 . 1 1 159 159 ILE HA H 1 6.218 0.005 . 1 . . . . . . . . 5181 1 1915 . 1 1 159 159 ILE CB C 13 43.2 0.2 . 1 . . . . . . . . 5181 1 1916 . 1 1 159 159 ILE HB H 1 2.413 0.005 . 1 . . . . . . . . 5181 1 1917 . 1 1 159 159 ILE CG1 C 13 26.5 0.2 . 1 . . . . . . . . 5181 1 1918 . 1 1 159 159 ILE HG13 H 1 1.430 0.005 . 2 . . . . . . . . 5181 1 1919 . 1 1 159 159 ILE HG12 H 1 1.910 0.005 . 2 . . . . . . . . 5181 1 1920 . 1 1 159 159 ILE CG2 C 13 18.2 0.2 . 1 . . . . . . . . 5181 1 1921 . 1 1 159 159 ILE HG21 H 1 1.500 0.005 . 1 . . . . . . . . 5181 1 1922 . 1 1 159 159 ILE HG22 H 1 1.500 0.005 . 1 . . . . . . . . 5181 1 1923 . 1 1 159 159 ILE HG23 H 1 1.500 0.005 . 1 . . . . . . . . 5181 1 1924 . 1 1 159 159 ILE CD1 C 13 14.1 0.2 . 1 . . . . . . . . 5181 1 1925 . 1 1 159 159 ILE HD11 H 1 1.280 0.005 . 1 . . . . . . . . 5181 1 1926 . 1 1 159 159 ILE HD12 H 1 1.280 0.005 . 1 . . . . . . . . 5181 1 1927 . 1 1 159 159 ILE HD13 H 1 1.280 0.005 . 1 . . . . . . . . 5181 1 1928 . 1 1 160 160 ASP N N 15 115.7 0.2 . 1 . . . . . . . . 5181 1 1929 . 1 1 160 160 ASP H H 1 9.158 0.005 . 1 . . . . . . . . 5181 1 1930 . 1 1 160 160 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 5181 1 1931 . 1 1 160 160 ASP CA C 13 53.7 0.2 . 1 . . . . . . . . 5181 1 1932 . 1 1 160 160 ASP HA H 1 5.663 0.005 . 1 . . . . . . . . 5181 1 1933 . 1 1 160 160 ASP CB C 13 44.7 0.2 . 1 . . . . . . . . 5181 1 1934 . 1 1 160 160 ASP HB3 H 1 1.907 0.005 . 2 . . . . . . . . 5181 1 1935 . 1 1 160 160 ASP HB2 H 1 3.057 0.005 . 2 . . . . . . . . 5181 1 1936 . 1 1 161 161 GLY N N 15 108.2 0.2 . 1 . . . . . . . . 5181 1 1937 . 1 1 161 161 GLY H H 1 8.952 0.005 . 1 . . . . . . . . 5181 1 1938 . 1 1 161 161 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 5181 1 1939 . 1 1 161 161 GLY CA C 13 47.8 0.2 . 1 . . . . . . . . 5181 1 1940 . 1 1 161 161 GLY HA3 H 1 3.558 0.005 . 1 . . . . . . . . 5181 1 1941 . 1 1 161 161 GLY HA2 H 1 3.558 0.005 . 1 . . . . . . . . 5181 1 1942 . 1 1 162 162 LEU N N 15 118.9 0.2 . 1 . . . . . . . . 5181 1 1943 . 1 1 162 162 LEU H H 1 7.933 0.005 . 1 . . . . . . . . 5181 1 1944 . 1 1 162 162 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 5181 1 1945 . 1 1 162 162 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 5181 1 1946 . 1 1 162 162 LEU HA H 1 5.014 0.005 . 1 . . . . . . . . 5181 1 1947 . 1 1 162 162 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 5181 1 1948 . 1 1 162 162 LEU HB3 H 1 1.556 0.005 . 2 . . . . . . . . 5181 1 1949 . 1 1 162 162 LEU HB2 H 1 2.002 0.005 . 2 . . . . . . . . 5181 1 1950 . 1 1 162 162 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 5181 1 1951 . 1 1 162 162 LEU HG H 1 0.950 0.005 . 1 . . . . . . . . 5181 1 1952 . 1 1 162 162 LEU CD1 C 13 22.0 0.2 . 1 . . . . . . . . 5181 1 1953 . 1 1 162 162 LEU HD11 H 1 0.270 0.005 . 1 . . . . . . . . 5181 1 1954 . 1 1 162 162 LEU HD12 H 1 0.270 0.005 . 1 . . . . . . . . 5181 1 1955 . 1 1 162 162 LEU HD13 H 1 0.270 0.005 . 1 . . . . . . . . 5181 1 1956 . 1 1 162 162 LEU CD2 C 13 28.2 0.2 . 1 . . . . . . . . 5181 1 1957 . 1 1 162 162 LEU HD21 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1958 . 1 1 162 162 LEU HD22 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1959 . 1 1 162 162 LEU HD23 H 1 0.630 0.005 . 1 . . . . . . . . 5181 1 1960 . 1 1 163 163 ALA N N 15 134.5 0.2 . 1 . . . . . . . . 5181 1 1961 . 1 1 163 163 ALA H H 1 9.482 0.005 . 1 . . . . . . . . 5181 1 1962 . 1 1 163 163 ALA C C 13 175.5 0.2 . 1 . . . . . . . . 5181 1 1963 . 1 1 163 163 ALA CA C 13 51.7 0.2 . 1 . . . . . . . . 5181 1 1964 . 1 1 163 163 ALA HA H 1 4.707 0.005 . 1 . . . . . . . . 5181 1 1965 . 1 1 163 163 ALA CB C 13 21.3 0.2 . 1 . . . . . . . . 5181 1 1966 . 1 1 163 163 ALA HB1 H 1 1.244 0.005 . 1 . . . . . . . . 5181 1 1967 . 1 1 163 163 ALA HB2 H 1 1.244 0.005 . 1 . . . . . . . . 5181 1 1968 . 1 1 163 163 ALA HB3 H 1 1.244 0.005 . 1 . . . . . . . . 5181 1 1969 . 1 1 164 164 ILE N N 15 125.9 0.2 . 1 . . . . . . . . 5181 1 1970 . 1 1 164 164 ILE H H 1 7.869 0.005 . 1 . . . . . . . . 5181 1 1971 . 1 1 164 164 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 5181 1 1972 . 1 1 164 164 ILE CA C 13 60.5 0.2 . 1 . . . . . . . . 5181 1 1973 . 1 1 164 164 ILE HA H 1 5.032 0.005 . 1 . . . . . . . . 5181 1 1974 . 1 1 164 164 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 5181 1 1975 . 1 1 164 164 ILE HB H 1 1.595 0.005 . 1 . . . . . . . . 5181 1 1976 . 1 1 164 164 ILE CG1 C 13 28.4 0.2 . 1 . . . . . . . . 5181 1 1977 . 1 1 164 164 ILE HG13 H 1 0.790 0.005 . 2 . . . . . . . . 5181 1 1978 . 1 1 164 164 ILE HG12 H 1 1.210 0.005 . 2 . . . . . . . . 5181 1 1979 . 1 1 164 164 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 5181 1 1980 . 1 1 164 164 ILE HG21 H 1 0.710 0.005 . 1 . . . . . . . . 5181 1 1981 . 1 1 164 164 ILE HG22 H 1 0.710 0.005 . 1 . . . . . . . . 5181 1 1982 . 1 1 164 164 ILE HG23 H 1 0.710 0.005 . 1 . . . . . . . . 5181 1 1983 . 1 1 164 164 ILE CD1 C 13 14.6 0.2 . 1 . . . . . . . . 5181 1 1984 . 1 1 164 164 ILE HD11 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1985 . 1 1 164 164 ILE HD12 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1986 . 1 1 164 164 ILE HD13 H 1 0.660 0.005 . 1 . . . . . . . . 5181 1 1987 . 1 1 165 165 ALA N N 15 128.7 0.2 . 1 . . . . . . . . 5181 1 1988 . 1 1 165 165 ALA H H 1 8.888 0.005 . 1 . . . . . . . . 5181 1 1989 . 1 1 165 165 ALA C C 13 176.3 0.2 . 1 . . . . . . . . 5181 1 1990 . 1 1 165 165 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 5181 1 1991 . 1 1 165 165 ALA HA H 1 5.427 0.005 . 1 . . . . . . . . 5181 1 1992 . 1 1 165 165 ALA CB C 13 23.6 0.2 . 1 . . . . . . . . 5181 1 1993 . 1 1 165 165 ALA HB1 H 1 1.365 0.005 . 1 . . . . . . . . 5181 1 1994 . 1 1 165 165 ALA HB2 H 1 1.365 0.005 . 1 . . . . . . . . 5181 1 1995 . 1 1 165 165 ALA HB3 H 1 1.365 0.005 . 1 . . . . . . . . 5181 1 1996 . 1 1 166 166 SER N N 15 116.8 0.2 . 1 . . . . . . . . 5181 1 1997 . 1 1 166 166 SER H H 1 8.676 0.005 . 1 . . . . . . . . 5181 1 1998 . 1 1 166 166 SER C C 13 174.1 0.2 . 1 . . . . . . . . 5181 1 1999 . 1 1 166 166 SER CA C 13 57.5 0.2 . 1 . . . . . . . . 5181 1 2000 . 1 1 166 166 SER HA H 1 4.065 0.005 . 1 . . . . . . . . 5181 1 2001 . 1 1 166 166 SER CB C 13 64.4 0.2 . 1 . . . . . . . . 5181 1 2002 . 1 1 166 166 SER HB3 H 1 3.370 0.005 . 2 . . . . . . . . 5181 1 2003 . 1 1 166 166 SER HB2 H 1 3.495 0.005 . 2 . . . . . . . . 5181 1 2004 . 1 1 167 167 GLN N N 15 121.9 0.2 . 1 . . . . . . . . 5181 1 2005 . 1 1 167 167 GLN H H 1 8.260 0.005 . 1 . . . . . . . . 5181 1 2006 . 1 1 167 167 GLN C C 13 174.4 0.2 . 1 . . . . . . . . 5181 1 2007 . 1 1 167 167 GLN CA C 13 54.0 0.2 . 1 . . . . . . . . 5181 1 2008 . 1 1 167 167 GLN HA H 1 4.580 0.005 . 1 . . . . . . . . 5181 1 2009 . 1 1 167 167 GLN CB C 13 28.7 0.2 . 1 . . . . . . . . 5181 1 2010 . 1 1 167 167 GLN HB3 H 1 1.760 0.005 . 2 . . . . . . . . 5181 1 2011 . 1 1 167 167 GLN HB2 H 1 1.980 0.005 . 2 . . . . . . . . 5181 1 2012 . 1 1 167 167 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 5181 1 2013 . 1 1 167 167 GLN HG3 H 1 2.250 0.005 . 1 . . . . . . . . 5181 1 2014 . 1 1 167 167 GLN HG2 H 1 2.250 0.005 . 1 . . . . . . . . 5181 1 2015 . 1 1 167 167 GLN NE2 N 15 111.6 0.2 . 1 . . . . . . . . 5181 1 2016 . 1 1 167 167 GLN HE21 H 1 6.780 0.005 . 2 . . . . . . . . 5181 1 2017 . 1 1 167 167 GLN HE22 H 1 7.260 0.005 . 2 . . . . . . . . 5181 1 2018 . 1 1 168 168 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 5181 1 2019 . 1 1 168 168 PRO CA C 13 63.5 0.2 . 1 . . . . . . . . 5181 1 2020 . 1 1 168 168 PRO HA H 1 4.351 0.005 . 1 . . . . . . . . 5181 1 2021 . 1 1 168 168 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 5181 1 2022 . 1 1 168 168 PRO HB3 H 1 1.866 0.005 . 2 . . . . . . . . 5181 1 2023 . 1 1 168 168 PRO HB2 H 1 2.237 0.005 . 2 . . . . . . . . 5181 1 stop_ save_