data_15253 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15253 _Entry.Title ; NMR assignments of the binary hvDHFR1:folate complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-05-17 _Entry.Accession_date 2007-05-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Arezue Boroujerdi . 'F. B.' . 15253 2 John K. . K. . 15253 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'MSU Dept. of Chemistry' . 15253 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15253 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 553 15253 '15N chemical shifts' 143 15253 '1H chemical shifts' 861 15253 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 3 . . 2009-02-10 2007-05-17 update BMRB 'updating entry citation' 15253 2 . . 2008-10-14 2007-05-17 update BMRB 'updating entry citation' 15253 1 . . 2008-08-25 2007-05-17 original author 'original release' 15253 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15253 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18825778 _Citation.Full_citation . _Citation.Title 'NMR-derived folate-bound structure of dihydrofolate reductase 1 from the halophile Haloferax volcanii' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biopolymers _Citation.Journal_name_full . _Citation.Journal_volume 91 _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 140 _Citation.Page_last 4 _Citation.Year 2009 _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 Arezue Boroujerdi . 'F. B.' . 15253 1 2 John Young . K. . 15253 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15253 _Assembly.ID 1 _Assembly.Name 'dihydrofolate reductase with folate bound' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 18407.2 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'dihydrofolate reductase' 1 $hvDHFR1 A . yes native no no . . . 15253 1 2 folate 2 $FOL B . no native no no . . . 15253 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hvDHFR1 _Entity.Sf_category entity _Entity.Sf_framecode hvDHFR1 _Entity.Entry_ID 15253 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name hvDHFR1 _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 ; MELVSVAALAENRVIGRDGE LPWPSIPADKKQYRSRVADD PVVLGRTTFESMRDDLPGSA QIVMSRSERSFSVDTAHRAA SVEEAVDIAASLDAETAYVI GGAAIYALFQPHLDRMVLSR VPGEYEGDTYYPEWDAAEWE LDAETDHEGFTLQEWVRSAS SR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 1.5.1.3 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17965.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 1VDR . "Dihydrofolate Reductase" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 2 no PDB 2ITH . "Nmr Structure Of Haloferax Volcanii Dhfr" . . . . . 100.00 162 100.00 100.00 4.17e-111 . . . . 15253 1 3 no PDB 2JYB . "Binary Hvdhfr1:folate Complex" . . . . . 100.00 162 100.00 100.00 4.17e-111 . . . . 15253 1 4 no GB AAA72219 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 5 no GB ADE04659 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 6 no GB ELK54743 . "dihydrofolate reductase [Haloferax sp. BAB2207]" . . . . . 100.00 162 97.53 100.00 5.16e-109 . . . . 15253 1 7 no GB ELY28035 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 8 no GB ELZ74269 . "dihydrofolate reductase [Haloferax lucentense DSM 14919]" . . . . . 100.00 162 97.53 100.00 5.16e-109 . . . . 15253 1 9 no REF WP_004043660 . "dihydrofolate reductase [Haloferax volcanii]" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 10 no REF WP_004063628 . "MULTISPECIES: dihydrofolate reductase [Haloferax]" . . . . . 100.00 162 97.53 100.00 5.16e-109 . . . . 15253 1 11 no SP P15093 . "RecName: Full=Dihydrofolate reductase HdrA; Short=DHFR A; Short=hDHFR-1" . . . . . 100.00 162 99.38 100.00 6.66e-111 . . . . 15253 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID reductase 15253 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 . 15253 1 2 . GLU . 15253 1 3 . LEU . 15253 1 4 . VAL . 15253 1 5 . SER . 15253 1 6 . VAL . 15253 1 7 . ALA . 15253 1 8 . ALA . 15253 1 9 . LEU . 15253 1 10 . ALA . 15253 1 11 . GLU . 15253 1 12 . ASN . 15253 1 13 . ARG . 15253 1 14 . VAL . 15253 1 15 . ILE . 15253 1 16 . GLY . 15253 1 17 . ARG . 15253 1 18 . ASP . 15253 1 19 . GLY . 15253 1 20 . GLU . 15253 1 21 . LEU . 15253 1 22 . PRO . 15253 1 23 . TRP . 15253 1 24 . PRO . 15253 1 25 . SER . 15253 1 26 . ILE . 15253 1 27 . PRO . 15253 1 28 . ALA . 15253 1 29 . ASP . 15253 1 30 . LYS . 15253 1 31 . LYS . 15253 1 32 . GLN . 15253 1 33 . TYR . 15253 1 34 . ARG . 15253 1 35 . SER . 15253 1 36 . ARG . 15253 1 37 . VAL . 15253 1 38 . ALA . 15253 1 39 . ASP . 15253 1 40 . ASP . 15253 1 41 . PRO . 15253 1 42 . VAL . 15253 1 43 . VAL . 15253 1 44 . LEU . 15253 1 45 . GLY . 15253 1 46 . ARG . 15253 1 47 . THR . 15253 1 48 . THR . 15253 1 49 . PHE . 15253 1 50 . GLU . 15253 1 51 . SER . 15253 1 52 . MET . 15253 1 53 . ARG . 15253 1 54 . ASP . 15253 1 55 . ASP . 15253 1 56 . LEU . 15253 1 57 . PRO . 15253 1 58 . GLY . 15253 1 59 . SER . 15253 1 60 . ALA . 15253 1 61 . GLN . 15253 1 62 . ILE . 15253 1 63 . VAL . 15253 1 64 . MET . 15253 1 65 . SER . 15253 1 66 . ARG . 15253 1 67 . SER . 15253 1 68 . GLU . 15253 1 69 . ARG . 15253 1 70 . SER . 15253 1 71 . PHE . 15253 1 72 . SER . 15253 1 73 . VAL . 15253 1 74 . ASP . 15253 1 75 . THR . 15253 1 76 . ALA . 15253 1 77 . HIS . 15253 1 78 . ARG . 15253 1 79 . ALA . 15253 1 80 . ALA . 15253 1 81 . SER . 15253 1 82 . VAL . 15253 1 83 . GLU . 15253 1 84 . GLU . 15253 1 85 . ALA . 15253 1 86 . VAL . 15253 1 87 . ASP . 15253 1 88 . ILE . 15253 1 89 . ALA . 15253 1 90 . ALA . 15253 1 91 . SER . 15253 1 92 . LEU . 15253 1 93 . ASP . 15253 1 94 . ALA . 15253 1 95 . GLU . 15253 1 96 . THR . 15253 1 97 . ALA . 15253 1 98 . TYR . 15253 1 99 . VAL . 15253 1 100 . ILE . 15253 1 101 . GLY . 15253 1 102 . GLY . 15253 1 103 . ALA . 15253 1 104 . ALA . 15253 1 105 . ILE . 15253 1 106 . TYR . 15253 1 107 . ALA . 15253 1 108 . LEU . 15253 1 109 . PHE . 15253 1 110 . GLN . 15253 1 111 . PRO . 15253 1 112 . HIS . 15253 1 113 . LEU . 15253 1 114 . ASP . 15253 1 115 . ARG . 15253 1 116 . MET . 15253 1 117 . VAL . 15253 1 118 . LEU . 15253 1 119 . SER . 15253 1 120 . ARG . 15253 1 121 . VAL . 15253 1 122 . PRO . 15253 1 123 . GLY . 15253 1 124 . GLU . 15253 1 125 . TYR . 15253 1 126 . GLU . 15253 1 127 . GLY . 15253 1 128 . ASP . 15253 1 129 . THR . 15253 1 130 . TYR . 15253 1 131 . TYR . 15253 1 132 . PRO . 15253 1 133 . GLU . 15253 1 134 . TRP . 15253 1 135 . ASP . 15253 1 136 . ALA . 15253 1 137 . ALA . 15253 1 138 . GLU . 15253 1 139 . TRP . 15253 1 140 . GLU . 15253 1 141 . LEU . 15253 1 142 . ASP . 15253 1 143 . ALA . 15253 1 144 . GLU . 15253 1 145 . THR . 15253 1 146 . ASP . 15253 1 147 . HIS . 15253 1 148 . GLU . 15253 1 149 . GLY . 15253 1 150 . PHE . 15253 1 151 . THR . 15253 1 152 . LEU . 15253 1 153 . GLN . 15253 1 154 . GLU . 15253 1 155 . TRP . 15253 1 156 . VAL . 15253 1 157 . ARG . 15253 1 158 . SER . 15253 1 159 . ALA . 15253 1 160 . SER . 15253 1 161 . SER . 15253 1 162 . ARG . 15253 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 15253 1 . GLU 2 2 15253 1 . LEU 3 3 15253 1 . VAL 4 4 15253 1 . SER 5 5 15253 1 . VAL 6 6 15253 1 . ALA 7 7 15253 1 . ALA 8 8 15253 1 . LEU 9 9 15253 1 . ALA 10 10 15253 1 . GLU 11 11 15253 1 . ASN 12 12 15253 1 . ARG 13 13 15253 1 . VAL 14 14 15253 1 . ILE 15 15 15253 1 . GLY 16 16 15253 1 . ARG 17 17 15253 1 . ASP 18 18 15253 1 . GLY 19 19 15253 1 . GLU 20 20 15253 1 . LEU 21 21 15253 1 . PRO 22 22 15253 1 . TRP 23 23 15253 1 . PRO 24 24 15253 1 . SER 25 25 15253 1 . ILE 26 26 15253 1 . PRO 27 27 15253 1 . ALA 28 28 15253 1 . ASP 29 29 15253 1 . LYS 30 30 15253 1 . LYS 31 31 15253 1 . GLN 32 32 15253 1 . TYR 33 33 15253 1 . ARG 34 34 15253 1 . SER 35 35 15253 1 . ARG 36 36 15253 1 . VAL 37 37 15253 1 . ALA 38 38 15253 1 . ASP 39 39 15253 1 . ASP 40 40 15253 1 . PRO 41 41 15253 1 . VAL 42 42 15253 1 . VAL 43 43 15253 1 . LEU 44 44 15253 1 . GLY 45 45 15253 1 . ARG 46 46 15253 1 . THR 47 47 15253 1 . THR 48 48 15253 1 . PHE 49 49 15253 1 . GLU 50 50 15253 1 . SER 51 51 15253 1 . MET 52 52 15253 1 . ARG 53 53 15253 1 . ASP 54 54 15253 1 . ASP 55 55 15253 1 . LEU 56 56 15253 1 . PRO 57 57 15253 1 . GLY 58 58 15253 1 . SER 59 59 15253 1 . ALA 60 60 15253 1 . GLN 61 61 15253 1 . ILE 62 62 15253 1 . VAL 63 63 15253 1 . MET 64 64 15253 1 . SER 65 65 15253 1 . ARG 66 66 15253 1 . SER 67 67 15253 1 . GLU 68 68 15253 1 . ARG 69 69 15253 1 . SER 70 70 15253 1 . PHE 71 71 15253 1 . SER 72 72 15253 1 . VAL 73 73 15253 1 . ASP 74 74 15253 1 . THR 75 75 15253 1 . ALA 76 76 15253 1 . HIS 77 77 15253 1 . ARG 78 78 15253 1 . ALA 79 79 15253 1 . ALA 80 80 15253 1 . SER 81 81 15253 1 . VAL 82 82 15253 1 . GLU 83 83 15253 1 . GLU 84 84 15253 1 . ALA 85 85 15253 1 . VAL 86 86 15253 1 . ASP 87 87 15253 1 . ILE 88 88 15253 1 . ALA 89 89 15253 1 . ALA 90 90 15253 1 . SER 91 91 15253 1 . LEU 92 92 15253 1 . ASP 93 93 15253 1 . ALA 94 94 15253 1 . GLU 95 95 15253 1 . THR 96 96 15253 1 . ALA 97 97 15253 1 . TYR 98 98 15253 1 . VAL 99 99 15253 1 . ILE 100 100 15253 1 . GLY 101 101 15253 1 . GLY 102 102 15253 1 . ALA 103 103 15253 1 . ALA 104 104 15253 1 . ILE 105 105 15253 1 . TYR 106 106 15253 1 . ALA 107 107 15253 1 . LEU 108 108 15253 1 . PHE 109 109 15253 1 . GLN 110 110 15253 1 . PRO 111 111 15253 1 . HIS 112 112 15253 1 . LEU 113 113 15253 1 . ASP 114 114 15253 1 . ARG 115 115 15253 1 . MET 116 116 15253 1 . VAL 117 117 15253 1 . LEU 118 118 15253 1 . SER 119 119 15253 1 . ARG 120 120 15253 1 . VAL 121 121 15253 1 . PRO 122 122 15253 1 . GLY 123 123 15253 1 . GLU 124 124 15253 1 . TYR 125 125 15253 1 . GLU 126 126 15253 1 . GLY 127 127 15253 1 . ASP 128 128 15253 1 . THR 129 129 15253 1 . TYR 130 130 15253 1 . TYR 131 131 15253 1 . PRO 132 132 15253 1 . GLU 133 133 15253 1 . TRP 134 134 15253 1 . ASP 135 135 15253 1 . ALA 136 136 15253 1 . ALA 137 137 15253 1 . GLU 138 138 15253 1 . TRP 139 139 15253 1 . GLU 140 140 15253 1 . LEU 141 141 15253 1 . ASP 142 142 15253 1 . ALA 143 143 15253 1 . GLU 144 144 15253 1 . THR 145 145 15253 1 . ASP 146 146 15253 1 . HIS 147 147 15253 1 . GLU 148 148 15253 1 . GLY 149 149 15253 1 . PHE 150 150 15253 1 . THR 151 151 15253 1 . LEU 152 152 15253 1 . GLN 153 153 15253 1 . GLU 154 154 15253 1 . TRP 155 155 15253 1 . VAL 156 156 15253 1 . ARG 157 157 15253 1 . SER 158 158 15253 1 . ALA 159 159 15253 1 . SER 160 160 15253 1 . SER 161 161 15253 1 . ARG 162 162 15253 1 stop_ save_ save_FOL _Entity.Sf_category entity _Entity.Sf_framecode FOL _Entity.Entry_ID 15253 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name FOL _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID FOL _Entity.Nonpolymer_comp_label $chem_comp_FOL _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . FOL . 15253 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15253 _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 $hvDHFR1 . 2246 organism . 'Haloferax volcanii' 'Haloferax volcanii' . . Archaea . Haloferax volcanii . . . . . . . . . . . . . . . . . . . . . 15253 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 15253 _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 $hvDHFR1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-11d . . . . . . 15253 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_FOL _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_FOL _Chem_comp.Entry_ID 15253 _Chem_comp.ID FOL _Chem_comp.Provenance . _Chem_comp.Name 'FOLIC ACID' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code FOL _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic . _Chem_comp.Formula 'C19 H19 N7 O6' _Chem_comp.Formula_weight 441.397 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Wed Dec 20 02:51:09 2006 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N SMILES OpenEye/OEToolkits 1.4.2 15253 FOL c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 15253 FOL InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1 INCHI InChi 1 15253 FOL NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2N1 SMILES_CANONICAL CACTVS 2.87 15253 FOL NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2N1 SMILES CACTVS 2.87 15253 FOL stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID '(2S)-2-[[4-[(2-amino-4-oxo-1H-pteridin-6-yl)methylamino]phenyl]carbonylamino]pentanedioic acid' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 15253 FOL stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL C11 . C11 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C12 . C12 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C13 . C13 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C14 . C14 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C15 . C15 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C16 . C16 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C2 . C2 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C4 . C4 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C4A . C4A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C6 . C6 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C7 . C7 . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C8A . C8A . . C . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL C9 . C9 . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL CA . CA . . C . S . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL CB . CB . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL CD . CD . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL CG . CG . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL CT . CT . . C . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H12 . H12 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H13 . H13 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H15 . H15 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H16 . H16 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H7 . H7 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H91 . H91 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL H92 . H92 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HA . HA . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HB1 . HB1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HB2 . HB2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HG1 . HG1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HG2 . HG2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HN . HN . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HN0 . HN0 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HN1 . HN1 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HN21 . HN21 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HN22 . HN22 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HO2 . HO2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL HOE2 . HOE2 . . H . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL N . N . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL N1 . N1 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL N10 . N10 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL N3 . N3 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL N5 . N5 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL N8 . N8 . . N . N . 0 . . . . yes no . . . . . . . . . . . . . . . 15253 FOL NA2 . NA2 . . N . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL O . O . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL O1 . O1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL O2 . O2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL O4 . O4 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL OE1 . OE1 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL OE2 . OE2 . . O . N . 0 . . . . no no . . . . . . . . . . . . . . . 15253 FOL stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING N1 C2 . . . . 15253 FOL 2 . SING N1 C8A . . . . 15253 FOL 3 . SING N1 HN1 . . . . 15253 FOL 4 . SING C2 NA2 . . . . 15253 FOL 5 . DOUB C2 N3 . . . . 15253 FOL 6 . SING NA2 HN21 . . . . 15253 FOL 7 . SING NA2 HN22 . . . . 15253 FOL 8 . SING N3 C4 . . . . 15253 FOL 9 . DOUB C4 O4 . . . . 15253 FOL 10 . SING C4 C4A . . . . 15253 FOL 11 . SING C4A N5 . . . . 15253 FOL 12 . DOUB C4A C8A . . . . 15253 FOL 13 . DOUB N5 C6 . . . . 15253 FOL 14 . SING C6 C7 . . . . 15253 FOL 15 . SING C6 C9 . . . . 15253 FOL 16 . DOUB C7 N8 . . . . 15253 FOL 17 . SING C7 H7 . . . . 15253 FOL 18 . SING N8 C8A . . . . 15253 FOL 19 . SING C9 N10 . . . . 15253 FOL 20 . SING C9 H91 . . . . 15253 FOL 21 . SING C9 H92 . . . . 15253 FOL 22 . SING N10 C14 . . . . 15253 FOL 23 . SING N10 HN0 . . . . 15253 FOL 24 . DOUB C11 C12 . . . . 15253 FOL 25 . SING C11 C16 . . . . 15253 FOL 26 . SING C11 C . . . . 15253 FOL 27 . SING C12 C13 . . . . 15253 FOL 28 . SING C12 H12 . . . . 15253 FOL 29 . DOUB C13 C14 . . . . 15253 FOL 30 . SING C13 H13 . . . . 15253 FOL 31 . SING C14 C15 . . . . 15253 FOL 32 . DOUB C15 C16 . . . . 15253 FOL 33 . SING C15 H15 . . . . 15253 FOL 34 . SING C16 H16 . . . . 15253 FOL 35 . DOUB C O . . . . 15253 FOL 36 . SING C N . . . . 15253 FOL 37 . SING N CA . . . . 15253 FOL 38 . SING N HN . . . . 15253 FOL 39 . SING CA CB . . . . 15253 FOL 40 . SING CA CT . . . . 15253 FOL 41 . SING CA HA . . . . 15253 FOL 42 . SING CB CG . . . . 15253 FOL 43 . SING CB HB1 . . . . 15253 FOL 44 . SING CB HB2 . . . . 15253 FOL 45 . SING CG CD . . . . 15253 FOL 46 . SING CG HG1 . . . . 15253 FOL 47 . SING CG HG2 . . . . 15253 FOL 48 . DOUB CD OE1 . . . . 15253 FOL 49 . SING CD OE2 . . . . 15253 FOL 50 . SING OE2 HOE2 . . . . 15253 FOL 51 . DOUB CT O1 . . . . 15253 FOL 52 . SING CT O2 . . . . 15253 FOL 53 . SING O2 HO2 . . . . 15253 FOL stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15253 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 hvDHFR1 '[U-100% 13C; U-100% 15N]' . . 1 $hvDHFR1 . . 4.5 . . mM . . . . 15253 1 2 Folate 'natural abundance' . . 2 $FOL . . 1.9 . . mM . . . . 15253 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 15253 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 15253 1 5 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 15253 1 6 'sodium chloride' 'natural abundance' . . . . . . 3.5 . . M . . . . 15253 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15253 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 3.5 . M 15253 1 pH 8.25 . pH 15253 1 pressure 1 . atm 15253 1 temperature 310 . K 15253 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15253 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15253 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15253 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15253 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15253 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15253 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 15253 1 2 spectrometer_2 Varian INOVA . 500 . . . 15253 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 15253 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 9 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 10 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15253 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15253 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 15253 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15253 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15253 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15253 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15253 1 2 '2D 1H-13C HSQC' . . . 15253 1 3 '3D HNCA' . . . 15253 1 4 '3D HN(CO)CA' . . . 15253 1 5 '3D HNCACB' . . . 15253 1 6 '3D CBCA(CO)NH' . . . 15253 1 7 '3D HNCO' . . . 15253 1 8 '3D HCCH-TOCSY' . . . 15253 1 9 '3D C(CO)NH' . . . 15253 1 10 '3D H(CCO)NH' . . . 15253 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $NMRPipe . . 15253 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.12 0.01 . 1 . . . . 1 MET HA . 15253 1 2 . 1 1 1 1 MET HB2 H 1 2.16 0.01 . 1 . . . . 1 MET HB2 . 15253 1 3 . 1 1 1 1 MET HB3 H 1 2.16 0.01 . 1 . . . . 1 MET HB3 . 15253 1 4 . 1 1 1 1 MET HE1 H 1 2.24 0.01 . 1 . . . . 1 MET HE . 15253 1 5 . 1 1 1 1 MET HE2 H 1 2.24 0.01 . 1 . . . . 1 MET HE . 15253 1 6 . 1 1 1 1 MET HE3 H 1 2.24 0.01 . 1 . . . . 1 MET HE . 15253 1 7 . 1 1 1 1 MET HG2 H 1 2.33 0.01 . 1 . . . . 1 MET HG2 . 15253 1 8 . 1 1 1 1 MET HG3 H 1 2.33 0.01 . 1 . . . . 1 MET HG3 . 15253 1 9 . 1 1 1 1 MET C C 13 172.64 0.3 . 1 . . . . 1 MET C . 15253 1 10 . 1 1 1 1 MET CA C 13 54.55 0.3 . 1 . . . . 1 MET CA . 15253 1 11 . 1 1 1 1 MET CB C 13 32.37 0.3 . 1 . . . . 1 MET CB . 15253 1 12 . 1 1 1 1 MET CE C 13 12.03 0.3 . 1 . . . . 1 MET CE . 15253 1 13 . 1 1 1 1 MET CG C 13 30.22 0.3 . 1 . . . . 1 MET CG . 15253 1 14 . 1 1 2 2 GLU H H 1 8.2 0.01 . 1 . . . . 2 GLU H . 15253 1 15 . 1 1 2 2 GLU HA H 1 4.88 0.01 . 1 . . . . 2 GLU HA . 15253 1 16 . 1 1 2 2 GLU HB2 H 1 2.02 0.01 . 1 . . . . 2 GLU HB2 . 15253 1 17 . 1 1 2 2 GLU HB3 H 1 2.02 0.01 . 1 . . . . 2 GLU HB3 . 15253 1 18 . 1 1 2 2 GLU HG2 H 1 2.31 0.01 . 1 . . . . 2 GLU HG2 . 15253 1 19 . 1 1 2 2 GLU HG3 H 1 2.31 0.01 . 1 . . . . 2 GLU HG3 . 15253 1 20 . 1 1 2 2 GLU C C 13 174.19 0.3 . 1 . . . . 2 GLU C . 15253 1 21 . 1 1 2 2 GLU CA C 13 54.62 0.3 . 1 . . . . 2 GLU CA . 15253 1 22 . 1 1 2 2 GLU CB C 13 31.53 0.3 . 1 . . . . 2 GLU CB . 15253 1 23 . 1 1 2 2 GLU CG C 13 36.27 0.3 . 1 . . . . 2 GLU CG . 15253 1 24 . 1 1 2 2 GLU N N 15 126.19 0.5 . 1 . . . . 2 GLU N . 15253 1 25 . 1 1 3 3 LEU H H 1 9.67 0.01 . 1 . . . . 3 LEU H . 15253 1 26 . 1 1 3 3 LEU HA H 1 5.12 0.01 . 1 . . . . 3 LEU HA . 15253 1 27 . 1 1 3 3 LEU HB2 H 1 1.7 0.01 . 1 . . . . 3 LEU HB2 . 15253 1 28 . 1 1 3 3 LEU HB3 H 1 1.7 0.01 . 1 . . . . 3 LEU HB3 . 15253 1 29 . 1 1 3 3 LEU HD11 H 1 0.76 0.01 . 2 . . . . 3 LEU HD1 . 15253 1 30 . 1 1 3 3 LEU HD12 H 1 0.76 0.01 . 2 . . . . 3 LEU HD1 . 15253 1 31 . 1 1 3 3 LEU HD13 H 1 0.76 0.01 . 2 . . . . 3 LEU HD1 . 15253 1 32 . 1 1 3 3 LEU HD21 H 1 0.99 0.01 . 2 . . . . 3 LEU HD2 . 15253 1 33 . 1 1 3 3 LEU HD22 H 1 0.99 0.01 . 2 . . . . 3 LEU HD2 . 15253 1 34 . 1 1 3 3 LEU HD23 H 1 0.99 0.01 . 2 . . . . 3 LEU HD2 . 15253 1 35 . 1 1 3 3 LEU HG H 1 1.4 0.01 . 1 . . . . 3 LEU HG . 15253 1 36 . 1 1 3 3 LEU C C 13 176.6 0.3 . 1 . . . . 3 LEU C . 15253 1 37 . 1 1 3 3 LEU CA C 13 53.37 0.3 . 1 . . . . 3 LEU CA . 15253 1 38 . 1 1 3 3 LEU CB C 13 43.98 0.3 . 1 . . . . 3 LEU CB . 15253 1 39 . 1 1 3 3 LEU CD1 C 13 23.57 0.3 . 1 . . . . 3 LEU CD1 . 15253 1 40 . 1 1 3 3 LEU CD2 C 13 23.57 0.3 . 1 . . . . 3 LEU CD2 . 15253 1 41 . 1 1 3 3 LEU CG C 13 24.92 0.3 . 1 . . . . 3 LEU CG . 15253 1 42 . 1 1 3 3 LEU N N 15 125.46 0.5 . 1 . . . . 3 LEU N . 15253 1 43 . 1 1 4 4 VAL H H 1 8.46 0.01 . 1 . . . . 4 VAL H . 15253 1 44 . 1 1 4 4 VAL HA H 1 5.3 0.01 . 1 . . . . 4 VAL HA . 15253 1 45 . 1 1 4 4 VAL HB H 1 2.06 0.01 . 1 . . . . 4 VAL HB . 15253 1 46 . 1 1 4 4 VAL HG11 H 1 0.99 0.01 . 1 . . . . 4 VAL HG1 . 15253 1 47 . 1 1 4 4 VAL HG12 H 1 0.99 0.01 . 1 . . . . 4 VAL HG1 . 15253 1 48 . 1 1 4 4 VAL HG13 H 1 0.99 0.01 . 1 . . . . 4 VAL HG1 . 15253 1 49 . 1 1 4 4 VAL C C 13 176.51 0.3 . 1 . . . . 4 VAL C . 15253 1 50 . 1 1 4 4 VAL CA C 13 59.76 0.3 . 1 . . . . 4 VAL CA . 15253 1 51 . 1 1 4 4 VAL CB C 13 35.39 0.3 . 1 . . . . 4 VAL CB . 15253 1 52 . 1 1 4 4 VAL CG1 C 13 21.22 0.3 . 1 . . . . 4 VAL CG1 . 15253 1 53 . 1 1 4 4 VAL N N 15 125.6 0.5 . 1 . . . . 4 VAL N . 15253 1 54 . 1 1 5 5 SER H H 1 8.59 0.01 . 1 . . . . 5 SER H . 15253 1 55 . 1 1 5 5 SER HA H 1 4.58 0.01 . 1 . . . . 5 SER HA . 15253 1 56 . 1 1 5 5 SER HB2 H 1 3.89 0.01 . 1 . . . . 5 SER HB2 . 15253 1 57 . 1 1 5 5 SER HB3 H 1 3.89 0.01 . 1 . . . . 5 SER HB3 . 15253 1 58 . 1 1 5 5 SER C C 13 173.01 0.3 . 1 . . . . 5 SER C . 15253 1 59 . 1 1 5 5 SER CA C 13 56.69 0.3 . 1 . . . . 5 SER CA . 15253 1 60 . 1 1 5 5 SER CB C 13 65.28 0.3 . 1 . . . . 5 SER CB . 15253 1 61 . 1 1 5 5 SER N N 15 122.23 0.5 . 1 . . . . 5 SER N . 15253 1 62 . 1 1 6 6 VAL H H 1 8.46 0.01 . 1 . . . . 6 VAL H . 15253 1 63 . 1 1 6 6 VAL HA H 1 4.01 0.01 . 1 . . . . 6 VAL HA . 15253 1 64 . 1 1 6 6 VAL HB H 1 2.12 0.01 . 1 . . . . 6 VAL HB . 15253 1 65 . 1 1 6 6 VAL HG11 H 1 0.99 0.01 . 1 . . . . 6 VAL HG1 . 15253 1 66 . 1 1 6 6 VAL HG12 H 1 0.99 0.01 . 1 . . . . 6 VAL HG1 . 15253 1 67 . 1 1 6 6 VAL HG13 H 1 0.99 0.01 . 1 . . . . 6 VAL HG1 . 15253 1 68 . 1 1 6 6 VAL C C 13 172.79 0.3 . 1 . . . . 6 VAL C . 15253 1 69 . 1 1 6 6 VAL CA C 13 60.05 0.3 . 1 . . . . 6 VAL CA . 15253 1 70 . 1 1 6 6 VAL N N 15 120.06 0.5 . 1 . . . . 6 VAL N . 15253 1 71 . 1 1 7 7 ALA H H 1 8.18 0.01 . 1 . . . . 7 ALA H . 15253 1 72 . 1 1 7 7 ALA C C 13 175.53 0.3 . 1 . . . . 7 ALA C . 15253 1 73 . 1 1 7 7 ALA N N 15 127.07 0.5 . 1 . . . . 7 ALA N . 15253 1 74 . 1 1 8 8 ALA H H 1 8.11 0.01 . 1 . . . . 8 ALA H . 15253 1 75 . 1 1 8 8 ALA C C 13 174.96 0.3 . 1 . . . . 8 ALA C . 15253 1 76 . 1 1 8 8 ALA N N 15 123.47 0.5 . 1 . . . . 8 ALA N . 15253 1 77 . 1 1 9 9 LEU H H 1 8.73 0.01 . 1 . . . . 9 LEU H . 15253 1 78 . 1 1 9 9 LEU HD11 H 1 0.66 0.01 . 2 . . . . 9 LEU HD1 . 15253 1 79 . 1 1 9 9 LEU HD12 H 1 0.66 0.01 . 2 . . . . 9 LEU HD1 . 15253 1 80 . 1 1 9 9 LEU HD13 H 1 0.66 0.01 . 2 . . . . 9 LEU HD1 . 15253 1 81 . 1 1 9 9 LEU HD21 H 1 0.89 0.01 . 2 . . . . 9 LEU HD2 . 15253 1 82 . 1 1 9 9 LEU HD22 H 1 0.89 0.01 . 2 . . . . 9 LEU HD2 . 15253 1 83 . 1 1 9 9 LEU HD23 H 1 0.89 0.01 . 2 . . . . 9 LEU HD2 . 15253 1 84 . 1 1 9 9 LEU C C 13 177.45 0.3 . 1 . . . . 9 LEU C . 15253 1 85 . 1 1 9 9 LEU N N 15 119.28 0.5 . 1 . . . . 9 LEU N . 15253 1 86 . 1 1 10 10 ALA H H 1 8.87 0.01 . 1 . . . . 10 ALA H . 15253 1 87 . 1 1 10 10 ALA N N 15 113.49 0.5 . 1 . . . . 10 ALA N . 15253 1 88 . 1 1 11 11 GLU HB2 H 1 1.79 0.01 . 1 . . . . 11 GLU HB2 . 15253 1 89 . 1 1 11 11 GLU HB3 H 1 1.79 0.01 . 1 . . . . 11 GLU HB3 . 15253 1 90 . 1 1 11 11 GLU C C 13 179.35 0.3 . 1 . . . . 11 GLU C . 15253 1 91 . 1 1 12 12 ASN H H 1 8.2 0.01 . 1 . . . . 12 ASN H . 15253 1 92 . 1 1 12 12 ASN HA H 1 4.97 0.01 . 1 . . . . 12 ASN HA . 15253 1 93 . 1 1 12 12 ASN HB2 H 1 3.46 0.01 . 1 . . . . 12 ASN HB2 . 15253 1 94 . 1 1 12 12 ASN HB3 H 1 3.46 0.01 . 1 . . . . 12 ASN HB3 . 15253 1 95 . 1 1 12 12 ASN C C 13 174.39 0.3 . 1 . . . . 12 ASN C . 15253 1 96 . 1 1 12 12 ASN CA C 13 55.33 0.3 . 1 . . . . 12 ASN CA . 15253 1 97 . 1 1 12 12 ASN CB C 13 33.03 0.3 . 1 . . . . 12 ASN CB . 15253 1 98 . 1 1 12 12 ASN N N 15 119.27 0.5 . 1 . . . . 12 ASN N . 15253 1 99 . 1 1 13 13 ARG H H 1 8.19 0.01 . 1 . . . . 13 ARG H . 15253 1 100 . 1 1 13 13 ARG HB2 H 1 2.01 0.01 . 1 . . . . 13 ARG HB2 . 15253 1 101 . 1 1 13 13 ARG HB3 H 1 2.01 0.01 . 1 . . . . 13 ARG HB3 . 15253 1 102 . 1 1 13 13 ARG HD2 H 1 3.81 0.01 . 1 . . . . 13 ARG HD2 . 15253 1 103 . 1 1 13 13 ARG HD3 H 1 3.81 0.01 . 1 . . . . 13 ARG HD3 . 15253 1 104 . 1 1 13 13 ARG HG2 H 1 1.65 0.01 . 1 . . . . 13 ARG HG2 . 15253 1 105 . 1 1 13 13 ARG HG3 H 1 1.65 0.01 . 1 . . . . 13 ARG HG3 . 15253 1 106 . 1 1 13 13 ARG C C 13 174.29 0.3 . 1 . . . . 13 ARG C . 15253 1 107 . 1 1 13 13 ARG CA C 13 58.43 0.3 . 1 . . . . 13 ARG CA . 15253 1 108 . 1 1 13 13 ARG CB C 13 27.14 0.3 . 1 . . . . 13 ARG CB . 15253 1 109 . 1 1 13 13 ARG CD C 13 42.72 0.3 . 1 . . . . 13 ARG CD . 15253 1 110 . 1 1 13 13 ARG CG C 13 22.15 0.3 . 1 . . . . 13 ARG CG . 15253 1 111 . 1 1 13 13 ARG N N 15 108.72 0.5 . 1 . . . . 13 ARG N . 15253 1 112 . 1 1 14 14 VAL H H 1 6.91 0.01 . 1 . . . . 14 VAL H . 15253 1 113 . 1 1 14 14 VAL HB H 1 1.97 0.01 . 1 . . . . 14 VAL HB . 15253 1 114 . 1 1 14 14 VAL HG11 H 1 0.91 0.01 . 1 . . . . 14 VAL HG1 . 15253 1 115 . 1 1 14 14 VAL HG12 H 1 0.91 0.01 . 1 . . . . 14 VAL HG1 . 15253 1 116 . 1 1 14 14 VAL HG13 H 1 0.91 0.01 . 1 . . . . 14 VAL HG1 . 15253 1 117 . 1 1 14 14 VAL CA C 13 63.69 0.3 . 1 . . . . 14 VAL CA . 15253 1 118 . 1 1 14 14 VAL CB C 13 32.98 0.3 . 1 . . . . 14 VAL CB . 15253 1 119 . 1 1 14 14 VAL N N 15 119.47 0.5 . 1 . . . . 14 VAL N . 15253 1 120 . 1 1 16 16 GLY HA2 H 1 3.92 0.01 . 1 . . . . 16 GLY HA2 . 15253 1 121 . 1 1 16 16 GLY HA3 H 1 3.92 0.01 . 1 . . . . 16 GLY HA3 . 15253 1 122 . 1 1 16 16 GLY C C 13 171.74 0.3 . 1 . . . . 16 GLY C . 15253 1 123 . 1 1 16 16 GLY CA C 13 47.51 0.3 . 1 . . . . 16 GLY CA . 15253 1 124 . 1 1 17 17 ARG H H 1 8.68 0.01 . 1 . . . . 17 ARG H . 15253 1 125 . 1 1 17 17 ARG HB2 H 1 2.22 0.01 . 2 . . . . 17 ARG HB2 . 15253 1 126 . 1 1 17 17 ARG HB3 H 1 2.39 0.01 . 2 . . . . 17 ARG HB3 . 15253 1 127 . 1 1 17 17 ARG HG2 H 1 1.68 0.01 . 2 . . . . 17 ARG HG2 . 15253 1 128 . 1 1 17 17 ARG HG3 H 1 1.92 0.01 . 2 . . . . 17 ARG HG3 . 15253 1 129 . 1 1 17 17 ARG CA C 13 55.08 0.3 . 1 . . . . 17 ARG CA . 15253 1 130 . 1 1 17 17 ARG CB C 13 30.96 0.3 . 1 . . . . 17 ARG CB . 15253 1 131 . 1 1 17 17 ARG N N 15 121.5 0.5 . 1 . . . . 17 ARG N . 15253 1 132 . 1 1 18 18 ASP C C 13 175.91 0.3 . 1 . . . . 18 ASP C . 15253 1 133 . 1 1 18 18 ASP CA C 13 53.45 0.3 . 1 . . . . 18 ASP CA . 15253 1 134 . 1 1 18 18 ASP CB C 13 40.1 0.3 . 1 . . . . 18 ASP CB . 15253 1 135 . 1 1 19 19 GLY H H 1 8.8 0.01 . 1 . . . . 19 GLY H . 15253 1 136 . 1 1 19 19 GLY HA2 H 1 3.65 0.01 . 2 . . . . 19 GLY HA2 . 15253 1 137 . 1 1 19 19 GLY HA3 H 1 4.15 0.01 . 2 . . . . 19 GLY HA3 . 15253 1 138 . 1 1 19 19 GLY C C 13 173.91 0.3 . 1 . . . . 19 GLY C . 15253 1 139 . 1 1 19 19 GLY CA C 13 44.98 0.3 . 1 . . . . 19 GLY CA . 15253 1 140 . 1 1 19 19 GLY N N 15 105.13 0.5 . 1 . . . . 19 GLY N . 15253 1 141 . 1 1 20 20 GLU H H 1 7.74 0.01 . 1 . . . . 20 GLU H . 15253 1 142 . 1 1 20 20 GLU HB2 H 1 1.8 0.01 . 2 . . . . 20 GLU HB2 . 15253 1 143 . 1 1 20 20 GLU HB3 H 1 1.98 0.01 . 2 . . . . 20 GLU HB3 . 15253 1 144 . 1 1 20 20 GLU HG2 H 1 2.22 0.01 . 1 . . . . 20 GLU HG2 . 15253 1 145 . 1 1 20 20 GLU HG3 H 1 2.22 0.01 . 1 . . . . 20 GLU HG3 . 15253 1 146 . 1 1 20 20 GLU C C 13 175.62 0.3 . 1 . . . . 20 GLU C . 15253 1 147 . 1 1 20 20 GLU CA C 13 53.53 0.3 . 1 . . . . 20 GLU CA . 15253 1 148 . 1 1 20 20 GLU CB C 13 31.6 0.3 . 1 . . . . 20 GLU CB . 15253 1 149 . 1 1 20 20 GLU CG C 13 35.75 0.3 . 1 . . . . 20 GLU CG . 15253 1 150 . 1 1 20 20 GLU N N 15 119.42 0.5 . 1 . . . . 20 GLU N . 15253 1 151 . 1 1 21 21 LEU H H 1 8.33 0.01 . 1 . . . . 21 LEU H . 15253 1 152 . 1 1 21 21 LEU HD11 H 1 0.71 0.01 . 2 . . . . 21 LEU HD1 . 15253 1 153 . 1 1 21 21 LEU HD12 H 1 0.71 0.01 . 2 . . . . 21 LEU HD1 . 15253 1 154 . 1 1 21 21 LEU HD13 H 1 0.71 0.01 . 2 . . . . 21 LEU HD1 . 15253 1 155 . 1 1 21 21 LEU HD21 H 1 0.96 0.01 . 2 . . . . 21 LEU HD2 . 15253 1 156 . 1 1 21 21 LEU HD22 H 1 0.96 0.01 . 2 . . . . 21 LEU HD2 . 15253 1 157 . 1 1 21 21 LEU HD23 H 1 0.96 0.01 . 2 . . . . 21 LEU HD2 . 15253 1 158 . 1 1 21 21 LEU HG H 1 1.31 0.01 . 1 . . . . 21 LEU HG . 15253 1 159 . 1 1 21 21 LEU CA C 13 52.16 0.3 . 1 . . . . 21 LEU CA . 15253 1 160 . 1 1 21 21 LEU CB C 13 40.81 0.3 . 1 . . . . 21 LEU CB . 15253 1 161 . 1 1 21 21 LEU N N 15 123.71 0.5 . 1 . . . . 21 LEU N . 15253 1 162 . 1 1 22 22 PRO HA H 1 4.55 0.01 . 1 . . . . 22 PRO HA . 15253 1 163 . 1 1 22 22 PRO HB2 H 1 2.21 0.01 . 1 . . . . 22 PRO HB2 . 15253 1 164 . 1 1 22 22 PRO HB3 H 1 2.21 0.01 . 1 . . . . 22 PRO HB3 . 15253 1 165 . 1 1 22 22 PRO HD2 H 1 3.84 0.01 . 1 . . . . 22 PRO HD2 . 15253 1 166 . 1 1 22 22 PRO HD3 H 1 3.84 0.01 . 1 . . . . 22 PRO HD3 . 15253 1 167 . 1 1 22 22 PRO HG2 H 1 2.18 0.01 . 1 . . . . 22 PRO HG2 . 15253 1 168 . 1 1 22 22 PRO HG3 H 1 2.18 0.01 . 1 . . . . 22 PRO HG3 . 15253 1 169 . 1 1 22 22 PRO CA C 13 65.19 0.3 . 1 . . . . 22 PRO CA . 15253 1 170 . 1 1 22 22 PRO CB C 13 31.99 0.3 . 1 . . . . 22 PRO CB . 15253 1 171 . 1 1 22 22 PRO CD C 13 50.98 0.3 . 1 . . . . 22 PRO CD . 15253 1 172 . 1 1 22 22 PRO CG C 13 28.42 0.3 . 1 . . . . 22 PRO CG . 15253 1 173 . 1 1 23 23 TRP H H 1 8.32 0.01 . 1 . . . . 23 TRP H . 15253 1 174 . 1 1 23 23 TRP HA H 1 4.6 0.01 . 1 . . . . 23 TRP HA . 15253 1 175 . 1 1 23 23 TRP HB2 H 1 3.77 0.01 . 1 . . . . 23 TRP HB2 . 15253 1 176 . 1 1 23 23 TRP HB3 H 1 3.77 0.01 . 1 . . . . 23 TRP HB3 . 15253 1 177 . 1 1 23 23 TRP CA C 13 58.05 0.3 . 1 . . . . 23 TRP CA . 15253 1 178 . 1 1 23 23 TRP N N 15 122.95 0.5 . 1 . . . . 23 TRP N . 15253 1 179 . 1 1 24 24 PRO HA H 1 4.4 0.01 . 1 . . . . 24 PRO HA . 15253 1 180 . 1 1 24 24 PRO HB2 H 1 2.17 0.01 . 2 . . . . 24 PRO HB2 . 15253 1 181 . 1 1 24 24 PRO HB3 H 1 2.46 0.01 . 2 . . . . 24 PRO HB3 . 15253 1 182 . 1 1 24 24 PRO HD2 H 1 3.96 0.01 . 1 . . . . 24 PRO HD2 . 15253 1 183 . 1 1 24 24 PRO HD3 H 1 3.96 0.01 . 1 . . . . 24 PRO HD3 . 15253 1 184 . 1 1 24 24 PRO HG2 H 1 2.1 0.01 . 1 . . . . 24 PRO HG2 . 15253 1 185 . 1 1 24 24 PRO HG3 H 1 2.1 0.01 . 1 . . . . 24 PRO HG3 . 15253 1 186 . 1 1 24 24 PRO C C 13 176.33 0.3 . 1 . . . . 24 PRO C . 15253 1 187 . 1 1 24 24 PRO CA C 13 62.41 0.3 . 1 . . . . 24 PRO CA . 15253 1 188 . 1 1 24 24 PRO CB C 13 31.38 0.3 . 1 . . . . 24 PRO CB . 15253 1 189 . 1 1 24 24 PRO CD C 13 50.48 0.3 . 1 . . . . 24 PRO CD . 15253 1 190 . 1 1 24 24 PRO CG C 13 25.31 0.3 . 1 . . . . 24 PRO CG . 15253 1 191 . 1 1 25 25 SER H H 1 8.08 0.01 . 1 . . . . 25 SER H . 15253 1 192 . 1 1 25 25 SER HA H 1 4.15 0.01 . 1 . . . . 25 SER HA . 15253 1 193 . 1 1 25 25 SER HB2 H 1 3.85 0.01 . 1 . . . . 25 SER HB2 . 15253 1 194 . 1 1 25 25 SER HB3 H 1 3.85 0.01 . 1 . . . . 25 SER HB3 . 15253 1 195 . 1 1 25 25 SER C C 13 173.25 0.3 . 1 . . . . 25 SER C . 15253 1 196 . 1 1 25 25 SER CA C 13 59.41 0.3 . 1 . . . . 25 SER CA . 15253 1 197 . 1 1 25 25 SER CB C 13 63.67 0.3 . 1 . . . . 25 SER CB . 15253 1 198 . 1 1 25 25 SER N N 15 115.35 0.5 . 1 . . . . 25 SER N . 15253 1 199 . 1 1 26 26 ILE H H 1 8.8 0.01 . 1 . . . . 26 ILE H . 15253 1 200 . 1 1 26 26 ILE HD11 H 1 0.84 0.01 . 1 . . . . 26 ILE HD1 . 15253 1 201 . 1 1 26 26 ILE HD12 H 1 0.84 0.01 . 1 . . . . 26 ILE HD1 . 15253 1 202 . 1 1 26 26 ILE HD13 H 1 0.84 0.01 . 1 . . . . 26 ILE HD1 . 15253 1 203 . 1 1 26 26 ILE N N 15 126.23 0.5 . 1 . . . . 26 ILE N . 15253 1 204 . 1 1 27 27 PRO HA H 1 4.54 0.01 . 1 . . . . 27 PRO HA . 15253 1 205 . 1 1 27 27 PRO HB2 H 1 2.05 0.01 . 2 . . . . 27 PRO HB2 . 15253 1 206 . 1 1 27 27 PRO HB3 H 1 2.18 0.01 . 2 . . . . 27 PRO HB3 . 15253 1 207 . 1 1 27 27 PRO HD2 H 1 3.93 0.01 . 1 . . . . 27 PRO HD2 . 15253 1 208 . 1 1 27 27 PRO HD3 H 1 3.93 0.01 . 1 . . . . 27 PRO HD3 . 15253 1 209 . 1 1 27 27 PRO HG2 H 1 1.97 0.01 . 1 . . . . 27 PRO HG2 . 15253 1 210 . 1 1 27 27 PRO HG3 H 1 1.97 0.01 . 1 . . . . 27 PRO HG3 . 15253 1 211 . 1 1 27 27 PRO C C 13 179.94 0.3 . 1 . . . . 27 PRO C . 15253 1 212 . 1 1 27 27 PRO CA C 13 65.78 0.3 . 1 . . . . 27 PRO CA . 15253 1 213 . 1 1 27 27 PRO CB C 13 31.46 0.3 . 1 . . . . 27 PRO CB . 15253 1 214 . 1 1 27 27 PRO CD C 13 50.56 0.3 . 1 . . . . 27 PRO CD . 15253 1 215 . 1 1 27 27 PRO CG C 13 25.67 0.3 . 1 . . . . 27 PRO CG . 15253 1 216 . 1 1 28 28 ALA H H 1 8.81 0.01 . 1 . . . . 28 ALA H . 15253 1 217 . 1 1 28 28 ALA HA H 1 4.28 0.01 . 1 . . . . 28 ALA HA . 15253 1 218 . 1 1 28 28 ALA HB1 H 1 1.74 0.01 . 1 . . . . 28 ALA HB . 15253 1 219 . 1 1 28 28 ALA HB2 H 1 1.74 0.01 . 1 . . . . 28 ALA HB . 15253 1 220 . 1 1 28 28 ALA HB3 H 1 1.74 0.01 . 1 . . . . 28 ALA HB . 15253 1 221 . 1 1 28 28 ALA C C 13 180.5 0.3 . 1 . . . . 28 ALA C . 15253 1 222 . 1 1 28 28 ALA CA C 13 54.81 0.3 . 1 . . . . 28 ALA CA . 15253 1 223 . 1 1 28 28 ALA CB C 13 19.18 0.3 . 1 . . . . 28 ALA CB . 15253 1 224 . 1 1 28 28 ALA N N 15 117.72 0.5 . 1 . . . . 28 ALA N . 15253 1 225 . 1 1 29 29 ASP H H 1 7.46 0.01 . 1 . . . . 29 ASP H . 15253 1 226 . 1 1 29 29 ASP HA H 1 4.25 0.01 . 1 . . . . 29 ASP HA . 15253 1 227 . 1 1 29 29 ASP HB2 H 1 2.33 0.01 . 1 . . . . 29 ASP HB2 . 15253 1 228 . 1 1 29 29 ASP HB3 H 1 2.33 0.01 . 1 . . . . 29 ASP HB3 . 15253 1 229 . 1 1 29 29 ASP C C 13 177.11 0.3 . 1 . . . . 29 ASP C . 15253 1 230 . 1 1 29 29 ASP CA C 13 58.89 0.3 . 1 . . . . 29 ASP CA . 15253 1 231 . 1 1 29 29 ASP CB C 13 40.93 0.3 . 1 . . . . 29 ASP CB . 15253 1 232 . 1 1 29 29 ASP N N 15 118.76 0.5 . 1 . . . . 29 ASP N . 15253 1 233 . 1 1 30 30 LYS H H 1 7.48 0.01 . 1 . . . . 30 LYS H . 15253 1 234 . 1 1 30 30 LYS HA H 1 4.19 0.01 . 1 . . . . 30 LYS HA . 15253 1 235 . 1 1 30 30 LYS HB2 H 1 1.75 0.01 . 2 . . . . 30 LYS HB2 . 15253 1 236 . 1 1 30 30 LYS HB3 H 1 1.87 0.01 . 2 . . . . 30 LYS HB3 . 15253 1 237 . 1 1 30 30 LYS HD2 H 1 1.25 0.01 . 2 . . . . 30 LYS HD2 . 15253 1 238 . 1 1 30 30 LYS HD3 H 1 1.41 0.01 . 2 . . . . 30 LYS HD3 . 15253 1 239 . 1 1 30 30 LYS HE2 H 1 3.02 0.01 . 1 . . . . 30 LYS HE2 . 15253 1 240 . 1 1 30 30 LYS HE3 H 1 3.02 0.01 . 1 . . . . 30 LYS HE3 . 15253 1 241 . 1 1 30 30 LYS HG2 H 1 1.54 0.01 . 1 . . . . 30 LYS HG2 . 15253 1 242 . 1 1 30 30 LYS HG3 H 1 1.54 0.01 . 1 . . . . 30 LYS HG3 . 15253 1 243 . 1 1 30 30 LYS C C 13 178.29 0.3 . 1 . . . . 30 LYS C . 15253 1 244 . 1 1 30 30 LYS CA C 13 58.94 0.3 . 1 . . . . 30 LYS CA . 15253 1 245 . 1 1 30 30 LYS CB C 13 31.28 0.3 . 1 . . . . 30 LYS CB . 15253 1 246 . 1 1 30 30 LYS CD C 13 26.11 0.3 . 1 . . . . 30 LYS CD . 15253 1 247 . 1 1 30 30 LYS CE C 13 42.16 0.3 . 1 . . . . 30 LYS CE . 15253 1 248 . 1 1 30 30 LYS CG C 13 25.75 0.3 . 1 . . . . 30 LYS CG . 15253 1 249 . 1 1 30 30 LYS N N 15 119.14 0.5 . 1 . . . . 30 LYS N . 15253 1 250 . 1 1 31 31 LYS H H 1 7.96 0.01 . 1 . . . . 31 LYS H . 15253 1 251 . 1 1 31 31 LYS HA H 1 4.01 0.01 . 1 . . . . 31 LYS HA . 15253 1 252 . 1 1 31 31 LYS HB2 H 1 1.83 0.01 . 1 . . . . 31 LYS HB2 . 15253 1 253 . 1 1 31 31 LYS HB3 H 1 1.83 0.01 . 1 . . . . 31 LYS HB3 . 15253 1 254 . 1 1 31 31 LYS HD2 H 1 1.25 0.01 . 2 . . . . 31 LYS HD2 . 15253 1 255 . 1 1 31 31 LYS HD3 H 1 1.41 0.01 . 2 . . . . 31 LYS HD3 . 15253 1 256 . 1 1 31 31 LYS HE2 H 1 3.02 0.01 . 1 . . . . 31 LYS HE2 . 15253 1 257 . 1 1 31 31 LYS HE3 H 1 3.02 0.01 . 1 . . . . 31 LYS HE3 . 15253 1 258 . 1 1 31 31 LYS HG2 H 1 1.04 0.01 . 2 . . . . 31 LYS HG2 . 15253 1 259 . 1 1 31 31 LYS HG3 H 1 1.51 0.01 . 2 . . . . 31 LYS HG3 . 15253 1 260 . 1 1 31 31 LYS C C 13 179.46 0.3 . 1 . . . . 31 LYS C . 15253 1 261 . 1 1 31 31 LYS CA C 13 58.96 0.3 . 1 . . . . 31 LYS CA . 15253 1 262 . 1 1 31 31 LYS CB C 13 32.21 0.3 . 1 . . . . 31 LYS CB . 15253 1 263 . 1 1 31 31 LYS CD C 13 26.11 0.3 . 1 . . . . 31 LYS CD . 15253 1 264 . 1 1 31 31 LYS CE C 13 42.16 0.3 . 1 . . . . 31 LYS CE . 15253 1 265 . 1 1 31 31 LYS CG C 13 24.81 0.3 . 1 . . . . 31 LYS CG . 15253 1 266 . 1 1 31 31 LYS N N 15 115.84 0.5 . 1 . . . . 31 LYS N . 15253 1 267 . 1 1 32 32 GLN H H 1 7.57 0.01 . 1 . . . . 32 GLN H . 15253 1 268 . 1 1 32 32 GLN HA H 1 4.27 0.01 . 1 . . . . 32 GLN HA . 15253 1 269 . 1 1 32 32 GLN HB2 H 1 2.09 0.01 . 2 . . . . 32 GLN HB2 . 15253 1 270 . 1 1 32 32 GLN HB3 H 1 2.24 0.01 . 2 . . . . 32 GLN HB3 . 15253 1 271 . 1 1 32 32 GLN HG2 H 1 2.55 0.01 . 1 . . . . 32 GLN HG2 . 15253 1 272 . 1 1 32 32 GLN HG3 H 1 2.55 0.01 . 1 . . . . 32 GLN HG3 . 15253 1 273 . 1 1 32 32 GLN C C 13 178.11 0.3 . 1 . . . . 32 GLN C . 15253 1 274 . 1 1 32 32 GLN CA C 13 57.96 0.3 . 1 . . . . 32 GLN CA . 15253 1 275 . 1 1 32 32 GLN CB C 13 25.31 0.3 . 1 . . . . 32 GLN CB . 15253 1 276 . 1 1 32 32 GLN CG C 13 35.75 0.3 . 1 . . . . 32 GLN CG . 15253 1 277 . 1 1 32 32 GLN N N 15 118.1 0.5 . 1 . . . . 32 GLN N . 15253 1 278 . 1 1 33 33 TYR H H 1 8.28 0.01 . 1 . . . . 33 TYR H . 15253 1 279 . 1 1 33 33 TYR HA H 1 4.59 0.01 . 1 . . . . 33 TYR HA . 15253 1 280 . 1 1 33 33 TYR HB2 H 1 2.13 0.01 . 1 . . . . 33 TYR HB2 . 15253 1 281 . 1 1 33 33 TYR HB3 H 1 2.13 0.01 . 1 . . . . 33 TYR HB3 . 15253 1 282 . 1 1 33 33 TYR C C 13 177.4 0.3 . 1 . . . . 33 TYR C . 15253 1 283 . 1 1 33 33 TYR CA C 13 60.07 0.3 . 1 . . . . 33 TYR CA . 15253 1 284 . 1 1 33 33 TYR CB C 13 41.59 0.3 . 1 . . . . 33 TYR CB . 15253 1 285 . 1 1 33 33 TYR N N 15 123.91 0.5 . 1 . . . . 33 TYR N . 15253 1 286 . 1 1 34 34 ARG H H 1 7.9 0.01 . 1 . . . . 34 ARG H . 15253 1 287 . 1 1 34 34 ARG HB2 H 1 1.77 0.01 . 2 . . . . 34 ARG HB2 . 15253 1 288 . 1 1 34 34 ARG HB3 H 1 1.86 0.01 . 2 . . . . 34 ARG HB3 . 15253 1 289 . 1 1 34 34 ARG HG2 H 1 1.48 0.01 . 1 . . . . 34 ARG HG2 . 15253 1 290 . 1 1 34 34 ARG HG3 H 1 1.48 0.01 . 1 . . . . 34 ARG HG3 . 15253 1 291 . 1 1 34 34 ARG C C 13 179.27 0.3 . 1 . . . . 34 ARG C . 15253 1 292 . 1 1 34 34 ARG CA C 13 52.15 0.3 . 1 . . . . 34 ARG CA . 15253 1 293 . 1 1 34 34 ARG CB C 13 28.65 0.3 . 1 . . . . 34 ARG CB . 15253 1 294 . 1 1 34 34 ARG N N 15 115.97 0.5 . 1 . . . . 34 ARG N . 15253 1 295 . 1 1 35 35 SER H H 1 7.65 0.01 . 1 . . . . 35 SER H . 15253 1 296 . 1 1 35 35 SER HA H 1 4.19 0.01 . 1 . . . . 35 SER HA . 15253 1 297 . 1 1 35 35 SER HB2 H 1 3.96 0.01 . 1 . . . . 35 SER HB2 . 15253 1 298 . 1 1 35 35 SER HB3 H 1 3.96 0.01 . 1 . . . . 35 SER HB3 . 15253 1 299 . 1 1 35 35 SER C C 13 176.59 0.3 . 1 . . . . 35 SER C . 15253 1 300 . 1 1 35 35 SER CA C 13 60.71 0.3 . 1 . . . . 35 SER CA . 15253 1 301 . 1 1 35 35 SER CB C 13 63.05 0.3 . 1 . . . . 35 SER CB . 15253 1 302 . 1 1 35 35 SER N N 15 111.79 0.5 . 1 . . . . 35 SER N . 15253 1 303 . 1 1 36 36 ARG H H 1 7.92 0.01 . 1 . . . . 36 ARG H . 15253 1 304 . 1 1 36 36 ARG HB2 H 1 2.09 0.01 . 1 . . . . 36 ARG HB2 . 15253 1 305 . 1 1 36 36 ARG HB3 H 1 2.09 0.01 . 1 . . . . 36 ARG HB3 . 15253 1 306 . 1 1 36 36 ARG HG2 H 1 1.65 0.01 . 1 . . . . 36 ARG HG2 . 15253 1 307 . 1 1 36 36 ARG HG3 H 1 1.65 0.01 . 1 . . . . 36 ARG HG3 . 15253 1 308 . 1 1 36 36 ARG C C 13 177.74 0.3 . 1 . . . . 36 ARG C . 15253 1 309 . 1 1 36 36 ARG CA C 13 58.27 0.3 . 1 . . . . 36 ARG CA . 15253 1 310 . 1 1 36 36 ARG CB C 13 29.85 0.3 . 1 . . . . 36 ARG CB . 15253 1 311 . 1 1 36 36 ARG CD C 13 42.8 0.3 . 1 . . . . 36 ARG CD . 15253 1 312 . 1 1 36 36 ARG CG C 13 26.53 0.3 . 1 . . . . 36 ARG CG . 15253 1 313 . 1 1 36 36 ARG N N 15 121.31 0.5 . 1 . . . . 36 ARG N . 15253 1 314 . 1 1 37 37 VAL H H 1 6.69 0.01 . 1 . . . . 37 VAL H . 15253 1 315 . 1 1 37 37 VAL HA H 1 4.37 0.01 . 1 . . . . 37 VAL HA . 15253 1 316 . 1 1 37 37 VAL HB H 1 1.83 0.01 . 1 . . . . 37 VAL HB . 15253 1 317 . 1 1 37 37 VAL HG11 H 1 1.02 0.01 . 2 . . . . 37 VAL HG1 . 15253 1 318 . 1 1 37 37 VAL HG12 H 1 1.02 0.01 . 2 . . . . 37 VAL HG1 . 15253 1 319 . 1 1 37 37 VAL HG13 H 1 1.02 0.01 . 2 . . . . 37 VAL HG1 . 15253 1 320 . 1 1 37 37 VAL HG21 H 1 1.12 0.01 . 2 . . . . 37 VAL HG2 . 15253 1 321 . 1 1 37 37 VAL HG22 H 1 1.12 0.01 . 2 . . . . 37 VAL HG2 . 15253 1 322 . 1 1 37 37 VAL HG23 H 1 1.12 0.01 . 2 . . . . 37 VAL HG2 . 15253 1 323 . 1 1 37 37 VAL C C 13 175.71 0.3 . 1 . . . . 37 VAL C . 15253 1 324 . 1 1 37 37 VAL CA C 13 60.48 0.3 . 1 . . . . 37 VAL CA . 15253 1 325 . 1 1 37 37 VAL CB C 13 33.84 0.3 . 1 . . . . 37 VAL CB . 15253 1 326 . 1 1 37 37 VAL CG1 C 13 18.39 0.3 . 1 . . . . 37 VAL CG1 . 15253 1 327 . 1 1 37 37 VAL CG2 C 13 18.39 0.3 . 1 . . . . 37 VAL CG2 . 15253 1 328 . 1 1 37 37 VAL N N 15 107.71 0.5 . 1 . . . . 37 VAL N . 15253 1 329 . 1 1 38 38 ALA H H 1 6.63 0.01 . 1 . . . . 38 ALA H . 15253 1 330 . 1 1 38 38 ALA HA H 1 3.98 0.01 . 1 . . . . 38 ALA HA . 15253 1 331 . 1 1 38 38 ALA HB1 H 1 1.42 0.01 . 1 . . . . 38 ALA HB . 15253 1 332 . 1 1 38 38 ALA HB2 H 1 1.42 0.01 . 1 . . . . 38 ALA HB . 15253 1 333 . 1 1 38 38 ALA HB3 H 1 1.42 0.01 . 1 . . . . 38 ALA HB . 15253 1 334 . 1 1 38 38 ALA C C 13 178.13 0.3 . 1 . . . . 38 ALA C . 15253 1 335 . 1 1 38 38 ALA CA C 13 55.11 0.3 . 1 . . . . 38 ALA CA . 15253 1 336 . 1 1 38 38 ALA CB C 13 19.75 0.3 . 1 . . . . 38 ALA CB . 15253 1 337 . 1 1 38 38 ALA N N 15 118.8 0.5 . 1 . . . . 38 ALA N . 15253 1 338 . 1 1 39 39 ASP H H 1 8.55 0.01 . 1 . . . . 39 ASP H . 15253 1 339 . 1 1 39 39 ASP HA H 1 4.92 0.01 . 1 . . . . 39 ASP HA . 15253 1 340 . 1 1 39 39 ASP HB2 H 1 2.4 0.01 . 2 . . . . 39 ASP HB2 . 15253 1 341 . 1 1 39 39 ASP HB3 H 1 2.92 0.01 . 2 . . . . 39 ASP HB3 . 15253 1 342 . 1 1 39 39 ASP C C 13 174.75 0.3 . 1 . . . . 39 ASP C . 15253 1 343 . 1 1 39 39 ASP CA C 13 53.58 0.3 . 1 . . . . 39 ASP CA . 15253 1 344 . 1 1 39 39 ASP CB C 13 42.58 0.3 . 1 . . . . 39 ASP CB . 15253 1 345 . 1 1 39 39 ASP N N 15 113.26 0.5 . 1 . . . . 39 ASP N . 15253 1 346 . 1 1 40 40 ASP H H 1 7.69 0.01 . 1 . . . . 40 ASP H . 15253 1 347 . 1 1 40 40 ASP HB2 H 1 2.33 0.01 . 1 . . . . 40 ASP HB2 . 15253 1 348 . 1 1 40 40 ASP HB3 H 1 2.33 0.01 . 1 . . . . 40 ASP HB3 . 15253 1 349 . 1 1 40 40 ASP CA C 13 53.68 0.3 . 1 . . . . 40 ASP CA . 15253 1 350 . 1 1 40 40 ASP CB C 13 44.97 0.3 . 1 . . . . 40 ASP CB . 15253 1 351 . 1 1 40 40 ASP N N 15 121.97 0.5 . 1 . . . . 40 ASP N . 15253 1 352 . 1 1 41 41 PRO HA H 1 4.87 0.01 . 1 . . . . 41 PRO HA . 15253 1 353 . 1 1 41 41 PRO HB2 H 1 1.8 0.01 . 1 . . . . 41 PRO HB2 . 15253 1 354 . 1 1 41 41 PRO HB3 H 1 1.8 0.01 . 1 . . . . 41 PRO HB3 . 15253 1 355 . 1 1 41 41 PRO HD2 H 1 3.18 0.01 . 1 . . . . 41 PRO HD2 . 15253 1 356 . 1 1 41 41 PRO HD3 H 1 3.18 0.01 . 1 . . . . 41 PRO HD3 . 15253 1 357 . 1 1 41 41 PRO HG2 H 1 2.23 0.01 . 1 . . . . 41 PRO HG2 . 15253 1 358 . 1 1 41 41 PRO HG3 H 1 2.23 0.01 . 1 . . . . 41 PRO HG3 . 15253 1 359 . 1 1 41 41 PRO C C 13 175.54 0.3 . 1 . . . . 41 PRO C . 15253 1 360 . 1 1 41 41 PRO CA C 13 62.45 0.3 . 1 . . . . 41 PRO CA . 15253 1 361 . 1 1 41 41 PRO CB C 13 31.52 0.3 . 1 . . . . 41 PRO CB . 15253 1 362 . 1 1 41 41 PRO CD C 13 53.43 0.3 . 1 . . . . 41 PRO CD . 15253 1 363 . 1 1 41 41 PRO CG C 13 25.55 0.3 . 1 . . . . 41 PRO CG . 15253 1 364 . 1 1 42 42 VAL H H 1 8.34 0.01 . 1 . . . . 42 VAL H . 15253 1 365 . 1 1 42 42 VAL HA H 1 5.46 0.01 . 1 . . . . 42 VAL HA . 15253 1 366 . 1 1 42 42 VAL HB H 1 2.08 0.01 . 1 . . . . 42 VAL HB . 15253 1 367 . 1 1 42 42 VAL HG11 H 1 1.07 0.01 . 2 . . . . 42 VAL HG1 . 15253 1 368 . 1 1 42 42 VAL HG12 H 1 1.07 0.01 . 2 . . . . 42 VAL HG1 . 15253 1 369 . 1 1 42 42 VAL HG13 H 1 1.07 0.01 . 2 . . . . 42 VAL HG1 . 15253 1 370 . 1 1 42 42 VAL HG21 H 1 1.46 0.01 . 2 . . . . 42 VAL HG2 . 15253 1 371 . 1 1 42 42 VAL HG22 H 1 1.46 0.01 . 2 . . . . 42 VAL HG2 . 15253 1 372 . 1 1 42 42 VAL HG23 H 1 1.46 0.01 . 2 . . . . 42 VAL HG2 . 15253 1 373 . 1 1 42 42 VAL C C 13 174.04 0.3 . 1 . . . . 42 VAL C . 15253 1 374 . 1 1 42 42 VAL CA C 13 57.75 0.3 . 1 . . . . 42 VAL CA . 15253 1 375 . 1 1 42 42 VAL CB C 13 34.26 0.3 . 1 . . . . 42 VAL CB . 15253 1 376 . 1 1 42 42 VAL CG1 C 13 22.66 0.3 . 1 . . . . 42 VAL CG1 . 15253 1 377 . 1 1 42 42 VAL CG2 C 13 22.66 0.3 . 1 . . . . 42 VAL CG2 . 15253 1 378 . 1 1 42 42 VAL N N 15 114.3 0.5 . 1 . . . . 42 VAL N . 15253 1 379 . 1 1 43 43 VAL H H 1 9.45 0.01 . 1 . . . . 43 VAL H . 15253 1 380 . 1 1 43 43 VAL HA H 1 5.06 0.01 . 1 . . . . 43 VAL HA . 15253 1 381 . 1 1 43 43 VAL HG11 H 1 0.5 0.01 . 2 . . . . 43 VAL HG1 . 15253 1 382 . 1 1 43 43 VAL HG12 H 1 0.5 0.01 . 2 . . . . 43 VAL HG1 . 15253 1 383 . 1 1 43 43 VAL HG13 H 1 0.5 0.01 . 2 . . . . 43 VAL HG1 . 15253 1 384 . 1 1 43 43 VAL HG21 H 1 0.74 0.01 . 2 . . . . 43 VAL HG2 . 15253 1 385 . 1 1 43 43 VAL HG22 H 1 0.74 0.01 . 2 . . . . 43 VAL HG2 . 15253 1 386 . 1 1 43 43 VAL HG23 H 1 0.74 0.01 . 2 . . . . 43 VAL HG2 . 15253 1 387 . 1 1 43 43 VAL C C 13 174.4 0.3 . 1 . . . . 43 VAL C . 15253 1 388 . 1 1 43 43 VAL CA C 13 60.15 0.3 . 1 . . . . 43 VAL CA . 15253 1 389 . 1 1 43 43 VAL CB C 13 32.68 0.3 . 1 . . . . 43 VAL CB . 15253 1 390 . 1 1 43 43 VAL CG1 C 13 21.81 0.3 . 1 . . . . 43 VAL CG1 . 15253 1 391 . 1 1 43 43 VAL CG2 C 13 21.81 0.3 . 1 . . . . 43 VAL CG2 . 15253 1 392 . 1 1 43 43 VAL N N 15 124.92 0.5 . 1 . . . . 43 VAL N . 15253 1 393 . 1 1 44 44 LEU H H 1 8.72 0.01 . 1 . . . . 44 LEU H . 15253 1 394 . 1 1 44 44 LEU HA H 1 4.58 0.01 . 1 . . . . 44 LEU HA . 15253 1 395 . 1 1 44 44 LEU HB2 H 1 1.81 0.01 . 1 . . . . 44 LEU HB2 . 15253 1 396 . 1 1 44 44 LEU HB3 H 1 1.81 0.01 . 1 . . . . 44 LEU HB3 . 15253 1 397 . 1 1 44 44 LEU HD11 H 1 0.75 0.01 . 2 . . . . 44 LEU HD1 . 15253 1 398 . 1 1 44 44 LEU HD12 H 1 0.75 0.01 . 2 . . . . 44 LEU HD1 . 15253 1 399 . 1 1 44 44 LEU HD13 H 1 0.75 0.01 . 2 . . . . 44 LEU HD1 . 15253 1 400 . 1 1 44 44 LEU HD21 H 1 1.15 0.01 . 2 . . . . 44 LEU HD2 . 15253 1 401 . 1 1 44 44 LEU HD22 H 1 1.15 0.01 . 2 . . . . 44 LEU HD2 . 15253 1 402 . 1 1 44 44 LEU HD23 H 1 1.15 0.01 . 2 . . . . 44 LEU HD2 . 15253 1 403 . 1 1 44 44 LEU C C 13 175.52 0.3 . 1 . . . . 44 LEU C . 15253 1 404 . 1 1 44 44 LEU CA C 13 53.22 0.3 . 1 . . . . 44 LEU CA . 15253 1 405 . 1 1 44 44 LEU CB C 13 43.8 0.3 . 1 . . . . 44 LEU CB . 15253 1 406 . 1 1 44 44 LEU CD1 C 13 25.56 0.3 . 1 . . . . 44 LEU CD1 . 15253 1 407 . 1 1 44 44 LEU CD2 C 13 25.56 0.3 . 1 . . . . 44 LEU CD2 . 15253 1 408 . 1 1 44 44 LEU CG C 13 27.18 0.3 . 1 . . . . 44 LEU CG . 15253 1 409 . 1 1 44 44 LEU N N 15 125.09 0.5 . 1 . . . . 44 LEU N . 15253 1 410 . 1 1 45 45 GLY H H 1 8.7 0.01 . 1 . . . . 45 GLY H . 15253 1 411 . 1 1 45 45 GLY HA2 H 1 4.5 0.01 . 1 . . . . 45 GLY HA2 . 15253 1 412 . 1 1 45 45 GLY HA3 H 1 4.5 0.01 . 1 . . . . 45 GLY HA3 . 15253 1 413 . 1 1 45 45 GLY C C 13 174.62 0.3 . 1 . . . . 45 GLY C . 15253 1 414 . 1 1 45 45 GLY CA C 13 44.65 0.3 . 1 . . . . 45 GLY CA . 15253 1 415 . 1 1 45 45 GLY N N 15 107.09 0.5 . 1 . . . . 45 GLY N . 15253 1 416 . 1 1 46 46 ARG H H 1 8.46 0.01 . 1 . . . . 46 ARG H . 15253 1 417 . 1 1 46 46 ARG HB2 H 1 2.12 0.01 . 1 . . . . 46 ARG HB2 . 15253 1 418 . 1 1 46 46 ARG HB3 H 1 2.12 0.01 . 1 . . . . 46 ARG HB3 . 15253 1 419 . 1 1 46 46 ARG HD2 H 1 3.87 0.01 . 1 . . . . 46 ARG HD2 . 15253 1 420 . 1 1 46 46 ARG HD3 H 1 3.87 0.01 . 1 . . . . 46 ARG HD3 . 15253 1 421 . 1 1 46 46 ARG HG2 H 1 1.91 0.01 . 1 . . . . 46 ARG HG2 . 15253 1 422 . 1 1 46 46 ARG HG3 H 1 1.91 0.01 . 1 . . . . 46 ARG HG3 . 15253 1 423 . 1 1 46 46 ARG C C 13 177.98 0.3 . 1 . . . . 46 ARG C . 15253 1 424 . 1 1 46 46 ARG CA C 13 60.25 0.3 . 1 . . . . 46 ARG CA . 15253 1 425 . 1 1 46 46 ARG CB C 13 29.93 0.3 . 1 . . . . 46 ARG CB . 15253 1 426 . 1 1 46 46 ARG CD C 13 42.37 0.3 . 1 . . . . 46 ARG CD . 15253 1 427 . 1 1 46 46 ARG CG C 13 24.64 0.3 . 1 . . . . 46 ARG CG . 15253 1 428 . 1 1 46 46 ARG N N 15 120.16 0.5 . 1 . . . . 46 ARG N . 15253 1 429 . 1 1 47 47 THR H H 1 8.57 0.01 . 1 . . . . 47 THR H . 15253 1 430 . 1 1 47 47 THR C C 13 177.11 0.3 . 1 . . . . 47 THR C . 15253 1 431 . 1 1 47 47 THR CA C 13 66.57 0.3 . 1 . . . . 47 THR CA . 15253 1 432 . 1 1 47 47 THR CB C 13 67.73 0.3 . 1 . . . . 47 THR CB . 15253 1 433 . 1 1 47 47 THR N N 15 115.33 0.5 . 1 . . . . 47 THR N . 15253 1 434 . 1 1 48 48 THR H H 1 7.93 0.01 . 1 . . . . 48 THR H . 15253 1 435 . 1 1 48 48 THR HA H 1 4.32 0.01 . 1 . . . . 48 THR HA . 15253 1 436 . 1 1 48 48 THR HB H 1 4.44 0.01 . 1 . . . . 48 THR HB . 15253 1 437 . 1 1 48 48 THR HG21 H 1 1.12 0.01 . 1 . . . . 48 THR HG2 . 15253 1 438 . 1 1 48 48 THR HG22 H 1 1.12 0.01 . 1 . . . . 48 THR HG2 . 15253 1 439 . 1 1 48 48 THR HG23 H 1 1.12 0.01 . 1 . . . . 48 THR HG2 . 15253 1 440 . 1 1 48 48 THR C C 13 175.74 0.3 . 1 . . . . 48 THR C . 15253 1 441 . 1 1 48 48 THR CA C 13 67.11 0.3 . 1 . . . . 48 THR CA . 15253 1 442 . 1 1 48 48 THR CB C 13 67.76 0.3 . 1 . . . . 48 THR CB . 15253 1 443 . 1 1 48 48 THR CG2 C 13 25.52 0.3 . 1 . . . . 48 THR CG2 . 15253 1 444 . 1 1 48 48 THR N N 15 122.22 0.5 . 1 . . . . 48 THR N . 15253 1 445 . 1 1 49 49 PHE H H 1 8.54 0.01 . 1 . . . . 49 PHE H . 15253 1 446 . 1 1 49 49 PHE HA H 1 5.15 0.01 . 1 . . . . 49 PHE HA . 15253 1 447 . 1 1 49 49 PHE HB2 H 1 2.75 0.01 . 2 . . . . 49 PHE HB2 . 15253 1 448 . 1 1 49 49 PHE HB3 H 1 3.21 0.01 . 2 . . . . 49 PHE HB3 . 15253 1 449 . 1 1 49 49 PHE C C 13 176.19 0.3 . 1 . . . . 49 PHE C . 15253 1 450 . 1 1 49 49 PHE CA C 13 62.1 0.3 . 1 . . . . 49 PHE CA . 15253 1 451 . 1 1 49 49 PHE CB C 13 38.88 0.3 . 1 . . . . 49 PHE CB . 15253 1 452 . 1 1 49 49 PHE N N 15 122.69 0.5 . 1 . . . . 49 PHE N . 15253 1 453 . 1 1 50 50 GLU H H 1 8.47 0.01 . 1 . . . . 50 GLU H . 15253 1 454 . 1 1 50 50 GLU HA H 1 3.72 0.01 . 1 . . . . 50 GLU HA . 15253 1 455 . 1 1 50 50 GLU HB2 H 1 2.55 0.01 . 1 . . . . 50 GLU HB2 . 15253 1 456 . 1 1 50 50 GLU HB3 H 1 2.55 0.01 . 1 . . . . 50 GLU HB3 . 15253 1 457 . 1 1 50 50 GLU HG2 H 1 2.73 0.01 . 1 . . . . 50 GLU HG2 . 15253 1 458 . 1 1 50 50 GLU HG3 H 1 2.73 0.01 . 1 . . . . 50 GLU HG3 . 15253 1 459 . 1 1 50 50 GLU C C 13 179.78 0.3 . 1 . . . . 50 GLU C . 15253 1 460 . 1 1 50 50 GLU CA C 13 58.95 0.3 . 1 . . . . 50 GLU CA . 15253 1 461 . 1 1 50 50 GLU CB C 13 28.78 0.3 . 1 . . . . 50 GLU CB . 15253 1 462 . 1 1 50 50 GLU CG C 13 36.56 0.3 . 1 . . . . 50 GLU CG . 15253 1 463 . 1 1 50 50 GLU N N 15 116.21 0.5 . 1 . . . . 50 GLU N . 15253 1 464 . 1 1 51 51 SER H H 1 7.88 0.01 . 1 . . . . 51 SER H . 15253 1 465 . 1 1 51 51 SER HA H 1 4.38 0.01 . 1 . . . . 51 SER HA . 15253 1 466 . 1 1 51 51 SER HB2 H 1 4.05 0.01 . 1 . . . . 51 SER HB2 . 15253 1 467 . 1 1 51 51 SER HB3 H 1 4.05 0.01 . 1 . . . . 51 SER HB3 . 15253 1 468 . 1 1 51 51 SER C C 13 175.31 0.3 . 1 . . . . 51 SER C . 15253 1 469 . 1 1 51 51 SER CA C 13 60.66 0.3 . 1 . . . . 51 SER CA . 15253 1 470 . 1 1 51 51 SER CB C 13 63.45 0.3 . 1 . . . . 51 SER CB . 15253 1 471 . 1 1 51 51 SER N N 15 114.17 0.5 . 1 . . . . 51 SER N . 15253 1 472 . 1 1 52 52 MET H H 1 7.5 0.01 . 1 . . . . 52 MET H . 15253 1 473 . 1 1 52 52 MET HB2 H 1 1.93 0.01 . 1 . . . . 52 MET HB2 . 15253 1 474 . 1 1 52 52 MET HB3 H 1 1.93 0.01 . 1 . . . . 52 MET HB3 . 15253 1 475 . 1 1 52 52 MET HE1 H 1 2.38 0.01 . 1 . . . . 52 MET HE . 15253 1 476 . 1 1 52 52 MET HE2 H 1 2.38 0.01 . 1 . . . . 52 MET HE . 15253 1 477 . 1 1 52 52 MET HE3 H 1 2.38 0.01 . 1 . . . . 52 MET HE . 15253 1 478 . 1 1 52 52 MET HG2 H 1 2.65 0.01 . 1 . . . . 52 MET HG2 . 15253 1 479 . 1 1 52 52 MET HG3 H 1 2.65 0.01 . 1 . . . . 52 MET HG3 . 15253 1 480 . 1 1 52 52 MET C C 13 176.25 0.3 . 1 . . . . 52 MET C . 15253 1 481 . 1 1 52 52 MET CA C 13 55.47 0.3 . 1 . . . . 52 MET CA . 15253 1 482 . 1 1 52 52 MET CB C 13 33.26 0.3 . 1 . . . . 52 MET CB . 15253 1 483 . 1 1 52 52 MET CE C 13 17.42 0.3 . 1 . . . . 52 MET CE . 15253 1 484 . 1 1 52 52 MET CG C 13 32.61 0.3 . 1 . . . . 52 MET CG . 15253 1 485 . 1 1 52 52 MET N N 15 118.77 0.5 . 1 . . . . 52 MET N . 15253 1 486 . 1 1 53 53 ARG H H 1 6.85 0.01 . 1 . . . . 53 ARG H . 15253 1 487 . 1 1 53 53 ARG HB2 H 1 1.61 0.01 . 1 . . . . 53 ARG HB2 . 15253 1 488 . 1 1 53 53 ARG HB3 H 1 1.61 0.01 . 1 . . . . 53 ARG HB3 . 15253 1 489 . 1 1 53 53 ARG HD2 H 1 3.08 0.01 . 1 . . . . 53 ARG HD2 . 15253 1 490 . 1 1 53 53 ARG HD3 H 1 3.08 0.01 . 1 . . . . 53 ARG HD3 . 15253 1 491 . 1 1 53 53 ARG HG2 H 1 1.41 0.01 . 1 . . . . 53 ARG HG2 . 15253 1 492 . 1 1 53 53 ARG HG3 H 1 1.41 0.01 . 1 . . . . 53 ARG HG3 . 15253 1 493 . 1 1 53 53 ARG C C 13 176.29 0.3 . 1 . . . . 53 ARG C . 15253 1 494 . 1 1 53 53 ARG CA C 13 58.74 0.3 . 1 . . . . 53 ARG CA . 15253 1 495 . 1 1 53 53 ARG CB C 13 29.77 0.3 . 1 . . . . 53 ARG CB . 15253 1 496 . 1 1 53 53 ARG CD C 13 43.19 0.3 . 1 . . . . 53 ARG CD . 15253 1 497 . 1 1 53 53 ARG CG C 13 26.9 0.3 . 1 . . . . 53 ARG CG . 15253 1 498 . 1 1 53 53 ARG N N 15 118.96 0.5 . 1 . . . . 53 ARG N . 15253 1 499 . 1 1 54 54 ASP H H 1 8.31 0.01 . 1 . . . . 54 ASP H . 15253 1 500 . 1 1 54 54 ASP HA H 1 4.5 0.01 . 1 . . . . 54 ASP HA . 15253 1 501 . 1 1 54 54 ASP HB2 H 1 2.6 0.01 . 1 . . . . 54 ASP HB2 . 15253 1 502 . 1 1 54 54 ASP HB3 H 1 2.6 0.01 . 1 . . . . 54 ASP HB3 . 15253 1 503 . 1 1 54 54 ASP C C 13 175.72 0.3 . 1 . . . . 54 ASP C . 15253 1 504 . 1 1 54 54 ASP CA C 13 54.73 0.3 . 1 . . . . 54 ASP CA . 15253 1 505 . 1 1 54 54 ASP CB C 13 40.35 0.3 . 1 . . . . 54 ASP CB . 15253 1 506 . 1 1 54 54 ASP N N 15 116.73 0.5 . 1 . . . . 54 ASP N . 15253 1 507 . 1 1 55 55 ASP H H 1 8.01 0.01 . 1 . . . . 55 ASP H . 15253 1 508 . 1 1 55 55 ASP HA H 1 4.61 0.01 . 1 . . . . 55 ASP HA . 15253 1 509 . 1 1 55 55 ASP HB2 H 1 2.47 0.01 . 1 . . . . 55 ASP HB2 . 15253 1 510 . 1 1 55 55 ASP HB3 H 1 2.47 0.01 . 1 . . . . 55 ASP HB3 . 15253 1 511 . 1 1 55 55 ASP C C 13 174.76 0.3 . 1 . . . . 55 ASP C . 15253 1 512 . 1 1 55 55 ASP CA C 13 53.16 0.3 . 1 . . . . 55 ASP CA . 15253 1 513 . 1 1 55 55 ASP CB C 13 39.86 0.3 . 1 . . . . 55 ASP CB . 15253 1 514 . 1 1 55 55 ASP N N 15 120.92 0.5 . 1 . . . . 55 ASP N . 15253 1 515 . 1 1 56 56 LEU H H 1 8.44 0.01 . 1 . . . . 56 LEU H . 15253 1 516 . 1 1 56 56 LEU HA H 1 4.23 0.01 . 1 . . . . 56 LEU HA . 15253 1 517 . 1 1 56 56 LEU HB2 H 1 1.67 0.01 . 1 . . . . 56 LEU HB2 . 15253 1 518 . 1 1 56 56 LEU HB3 H 1 1.67 0.01 . 1 . . . . 56 LEU HB3 . 15253 1 519 . 1 1 56 56 LEU HD11 H 1 0.76 0.01 . 2 . . . . 56 LEU HD1 . 15253 1 520 . 1 1 56 56 LEU HD12 H 1 0.76 0.01 . 2 . . . . 56 LEU HD1 . 15253 1 521 . 1 1 56 56 LEU HD13 H 1 0.76 0.01 . 2 . . . . 56 LEU HD1 . 15253 1 522 . 1 1 56 56 LEU HD21 H 1 0.99 0.01 . 2 . . . . 56 LEU HD2 . 15253 1 523 . 1 1 56 56 LEU HD22 H 1 0.99 0.01 . 2 . . . . 56 LEU HD2 . 15253 1 524 . 1 1 56 56 LEU HD23 H 1 0.99 0.01 . 2 . . . . 56 LEU HD2 . 15253 1 525 . 1 1 56 56 LEU HG H 1 1.4 0.01 . 1 . . . . 56 LEU HG . 15253 1 526 . 1 1 56 56 LEU CA C 13 53.41 0.3 . 1 . . . . 56 LEU CA . 15253 1 527 . 1 1 56 56 LEU CB C 13 41.84 0.3 . 1 . . . . 56 LEU CB . 15253 1 528 . 1 1 56 56 LEU N N 15 125.46 0.5 . 1 . . . . 56 LEU N . 15253 1 529 . 1 1 57 57 PRO HA H 1 4.41 0.01 . 1 . . . . 57 PRO HA . 15253 1 530 . 1 1 57 57 PRO HB2 H 1 1.83 0.01 . 1 . . . . 57 PRO HB2 . 15253 1 531 . 1 1 57 57 PRO HB3 H 1 1.83 0.01 . 1 . . . . 57 PRO HB3 . 15253 1 532 . 1 1 57 57 PRO HD2 H 1 3.04 0.01 . 1 . . . . 57 PRO HD2 . 15253 1 533 . 1 1 57 57 PRO HD3 H 1 3.04 0.01 . 1 . . . . 57 PRO HD3 . 15253 1 534 . 1 1 57 57 PRO HG2 H 1 1.83 0.01 . 1 . . . . 57 PRO HG2 . 15253 1 535 . 1 1 57 57 PRO HG3 H 1 1.83 0.01 . 1 . . . . 57 PRO HG3 . 15253 1 536 . 1 1 57 57 PRO C C 13 175.87 0.3 . 1 . . . . 57 PRO C . 15253 1 537 . 1 1 57 57 PRO CA C 13 61.68 0.3 . 1 . . . . 57 PRO CA . 15253 1 538 . 1 1 57 57 PRO CB C 13 32.89 0.3 . 1 . . . . 57 PRO CB . 15253 1 539 . 1 1 57 57 PRO CD C 13 49.28 0.3 . 1 . . . . 57 PRO CD . 15253 1 540 . 1 1 57 57 PRO CG C 13 27.42 0.3 . 1 . . . . 57 PRO CG . 15253 1 541 . 1 1 58 58 GLY H H 1 7.34 0.01 . 1 . . . . 58 GLY H . 15253 1 542 . 1 1 58 58 GLY HA2 H 1 4.38 0.01 . 2 . . . . 58 GLY HA2 . 15253 1 543 . 1 1 58 58 GLY HA3 H 1 4.76 0.01 . 2 . . . . 58 GLY HA3 . 15253 1 544 . 1 1 58 58 GLY C C 13 174.72 0.3 . 1 . . . . 58 GLY C . 15253 1 545 . 1 1 58 58 GLY CA C 13 44.91 0.3 . 1 . . . . 58 GLY CA . 15253 1 546 . 1 1 58 58 GLY N N 15 102.57 0.5 . 1 . . . . 58 GLY N . 15253 1 547 . 1 1 59 59 SER H H 1 8.28 0.01 . 1 . . . . 59 SER H . 15253 1 548 . 1 1 59 59 SER HA H 1 4.84 0.01 . 1 . . . . 59 SER HA . 15253 1 549 . 1 1 59 59 SER HB2 H 1 3.49 0.01 . 1 . . . . 59 SER HB2 . 15253 1 550 . 1 1 59 59 SER HB3 H 1 3.49 0.01 . 1 . . . . 59 SER HB3 . 15253 1 551 . 1 1 59 59 SER C C 13 174.98 0.3 . 1 . . . . 59 SER C . 15253 1 552 . 1 1 59 59 SER CA C 13 58.48 0.3 . 1 . . . . 59 SER CA . 15253 1 553 . 1 1 59 59 SER CB C 13 63.46 0.3 . 1 . . . . 59 SER CB . 15253 1 554 . 1 1 59 59 SER N N 15 113.26 0.5 . 1 . . . . 59 SER N . 15253 1 555 . 1 1 60 60 ALA H H 1 7.64 0.01 . 1 . . . . 60 ALA H . 15253 1 556 . 1 1 60 60 ALA HA H 1 4.75 0.01 . 1 . . . . 60 ALA HA . 15253 1 557 . 1 1 60 60 ALA HB1 H 1 1.39 0.01 . 1 . . . . 60 ALA HB . 15253 1 558 . 1 1 60 60 ALA HB2 H 1 1.39 0.01 . 1 . . . . 60 ALA HB . 15253 1 559 . 1 1 60 60 ALA HB3 H 1 1.39 0.01 . 1 . . . . 60 ALA HB . 15253 1 560 . 1 1 60 60 ALA C C 13 175.4 0.3 . 1 . . . . 60 ALA C . 15253 1 561 . 1 1 60 60 ALA CA C 13 50.97 0.3 . 1 . . . . 60 ALA CA . 15253 1 562 . 1 1 60 60 ALA CB C 13 22.35 0.3 . 1 . . . . 60 ALA CB . 15253 1 563 . 1 1 60 60 ALA N N 15 122.48 0.5 . 1 . . . . 60 ALA N . 15253 1 564 . 1 1 61 61 GLN H H 1 8.68 0.01 . 1 . . . . 61 GLN H . 15253 1 565 . 1 1 61 61 GLN HA H 1 5.12 0.01 . 1 . . . . 61 GLN HA . 15253 1 566 . 1 1 61 61 GLN HB2 H 1 2.11 0.01 . 1 . . . . 61 GLN HB2 . 15253 1 567 . 1 1 61 61 GLN HB3 H 1 2.11 0.01 . 1 . . . . 61 GLN HB3 . 15253 1 568 . 1 1 61 61 GLN HG2 H 1 2.35 0.01 . 1 . . . . 61 GLN HG2 . 15253 1 569 . 1 1 61 61 GLN HG3 H 1 2.35 0.01 . 1 . . . . 61 GLN HG3 . 15253 1 570 . 1 1 61 61 GLN C C 13 172.99 0.3 . 1 . . . . 61 GLN C . 15253 1 571 . 1 1 61 61 GLN CA C 13 55.41 0.3 . 1 . . . . 61 GLN CA . 15253 1 572 . 1 1 61 61 GLN CB C 13 28.28 0.3 . 1 . . . . 61 GLN CB . 15253 1 573 . 1 1 61 61 GLN CG C 13 33.88 0.3 . 1 . . . . 61 GLN CG . 15253 1 574 . 1 1 61 61 GLN N N 15 118.49 0.5 . 1 . . . . 61 GLN N . 15253 1 575 . 1 1 62 62 ILE H H 1 9.77 0.01 . 1 . . . . 62 ILE H . 15253 1 576 . 1 1 62 62 ILE HA H 1 4.49 0.01 . 1 . . . . 62 ILE HA . 15253 1 577 . 1 1 62 62 ILE HB H 1 1.89 0.01 . 1 . . . . 62 ILE HB . 15253 1 578 . 1 1 62 62 ILE HD11 H 1 0.84 0.01 . 1 . . . . 62 ILE HD1 . 15253 1 579 . 1 1 62 62 ILE HD12 H 1 0.84 0.01 . 1 . . . . 62 ILE HD1 . 15253 1 580 . 1 1 62 62 ILE HD13 H 1 0.84 0.01 . 1 . . . . 62 ILE HD1 . 15253 1 581 . 1 1 62 62 ILE HG12 H 1 1.6 0.01 . 1 . . . . 62 ILE HG12 . 15253 1 582 . 1 1 62 62 ILE C C 13 173.33 0.3 . 1 . . . . 62 ILE C . 15253 1 583 . 1 1 62 62 ILE CA C 13 60.73 0.3 . 1 . . . . 62 ILE CA . 15253 1 584 . 1 1 62 62 ILE CB C 13 37 0.3 . 1 . . . . 62 ILE CB . 15253 1 585 . 1 1 62 62 ILE N N 15 127.74 0.5 . 1 . . . . 62 ILE N . 15253 1 586 . 1 1 63 63 VAL H H 1 8.8 0.01 . 1 . . . . 63 VAL H . 15253 1 587 . 1 1 63 63 VAL HA H 1 4.43 0.01 . 1 . . . . 63 VAL HA . 15253 1 588 . 1 1 63 63 VAL HB H 1 2.69 0.01 . 1 . . . . 63 VAL HB . 15253 1 589 . 1 1 63 63 VAL HG11 H 1 0.84 0.01 . 2 . . . . 63 VAL HG1 . 15253 1 590 . 1 1 63 63 VAL HG12 H 1 0.84 0.01 . 2 . . . . 63 VAL HG1 . 15253 1 591 . 1 1 63 63 VAL HG13 H 1 0.84 0.01 . 2 . . . . 63 VAL HG1 . 15253 1 592 . 1 1 63 63 VAL C C 13 176.43 0.3 . 1 . . . . 63 VAL C . 15253 1 593 . 1 1 63 63 VAL CA C 13 60.37 0.3 . 1 . . . . 63 VAL CA . 15253 1 594 . 1 1 63 63 VAL CB C 13 31.3 0.3 . 1 . . . . 63 VAL CB . 15253 1 595 . 1 1 63 63 VAL CG1 C 13 20.84 0.3 . 1 . . . . 63 VAL CG1 . 15253 1 596 . 1 1 63 63 VAL N N 15 126.15 0.5 . 1 . . . . 63 VAL N . 15253 1 597 . 1 1 64 64 MET H H 1 8.72 0.01 . 1 . . . . 64 MET H . 15253 1 598 . 1 1 64 64 MET HA H 1 5.35 0.01 . 1 . . . . 64 MET HA . 15253 1 599 . 1 1 64 64 MET HB2 H 1 1.95 0.01 . 1 . . . . 64 MET HB2 . 15253 1 600 . 1 1 64 64 MET HB3 H 1 1.95 0.01 . 1 . . . . 64 MET HB3 . 15253 1 601 . 1 1 64 64 MET HG2 H 1 2.5 0.01 . 1 . . . . 64 MET HG2 . 15253 1 602 . 1 1 64 64 MET HG3 H 1 2.5 0.01 . 1 . . . . 64 MET HG3 . 15253 1 603 . 1 1 64 64 MET C C 13 176.05 0.3 . 1 . . . . 64 MET C . 15253 1 604 . 1 1 64 64 MET CA C 13 52.03 0.3 . 1 . . . . 64 MET CA . 15253 1 605 . 1 1 64 64 MET CB C 13 28.08 0.3 . 1 . . . . 64 MET CB . 15253 1 606 . 1 1 64 64 MET CG C 13 31.07 0.3 . 1 . . . . 64 MET CG . 15253 1 607 . 1 1 64 64 MET N N 15 126.15 0.5 . 1 . . . . 64 MET N . 15253 1 608 . 1 1 65 65 SER H H 1 8.57 0.01 . 1 . . . . 65 SER H . 15253 1 609 . 1 1 65 65 SER HB2 H 1 3.94 0.01 . 1 . . . . 65 SER HB2 . 15253 1 610 . 1 1 65 65 SER HB3 H 1 3.94 0.01 . 1 . . . . 65 SER HB3 . 15253 1 611 . 1 1 65 65 SER CA C 13 57.23 0.3 . 1 . . . . 65 SER CA . 15253 1 612 . 1 1 65 65 SER CB C 13 64.04 0.3 . 1 . . . . 65 SER CB . 15253 1 613 . 1 1 65 65 SER N N 15 118.8 0.5 . 1 . . . . 65 SER N . 15253 1 614 . 1 1 68 68 GLU HA H 1 4.02 0.01 . 1 . . . . 68 GLU HA . 15253 1 615 . 1 1 68 68 GLU C C 13 175.66 0.3 . 1 . . . . 68 GLU C . 15253 1 616 . 1 1 68 68 GLU CA C 13 56.6 0.3 . 1 . . . . 68 GLU CA . 15253 1 617 . 1 1 68 68 GLU CB C 13 29.24 0.3 . 1 . . . . 68 GLU CB . 15253 1 618 . 1 1 68 68 GLU CG C 13 36.12 0.3 . 1 . . . . 68 GLU CG . 15253 1 619 . 1 1 69 69 ARG H H 1 7.55 0.01 . 1 . . . . 69 ARG H . 15253 1 620 . 1 1 69 69 ARG HA H 1 4.36 0.01 . 1 . . . . 69 ARG HA . 15253 1 621 . 1 1 69 69 ARG HB2 H 1 1.98 0.01 . 1 . . . . 69 ARG HB2 . 15253 1 622 . 1 1 69 69 ARG HB3 H 1 1.98 0.01 . 1 . . . . 69 ARG HB3 . 15253 1 623 . 1 1 69 69 ARG HD2 H 1 3.24 0.01 . 1 . . . . 69 ARG HD2 . 15253 1 624 . 1 1 69 69 ARG HD3 H 1 3.24 0.01 . 1 . . . . 69 ARG HD3 . 15253 1 625 . 1 1 69 69 ARG HG2 H 1 1.72 0.01 . 1 . . . . 69 ARG HG2 . 15253 1 626 . 1 1 69 69 ARG HG3 H 1 1.72 0.01 . 1 . . . . 69 ARG HG3 . 15253 1 627 . 1 1 69 69 ARG C C 13 176.7 0.3 . 1 . . . . 69 ARG C . 15253 1 628 . 1 1 69 69 ARG CA C 13 55.25 0.3 . 1 . . . . 69 ARG CA . 15253 1 629 . 1 1 69 69 ARG CB C 13 31.39 0.3 . 1 . . . . 69 ARG CB . 15253 1 630 . 1 1 69 69 ARG CD C 13 43.18 0.3 . 1 . . . . 69 ARG CD . 15253 1 631 . 1 1 69 69 ARG CG C 13 27.29 0.3 . 1 . . . . 69 ARG CG . 15253 1 632 . 1 1 69 69 ARG N N 15 121.3 0.5 . 1 . . . . 69 ARG N . 15253 1 633 . 1 1 70 70 SER H H 1 8.05 0.01 . 1 . . . . 70 SER H . 15253 1 634 . 1 1 70 70 SER HA H 1 4.43 0.01 . 1 . . . . 70 SER HA . 15253 1 635 . 1 1 70 70 SER HB2 H 1 3.81 0.01 . 1 . . . . 70 SER HB2 . 15253 1 636 . 1 1 70 70 SER HB3 H 1 3.81 0.01 . 1 . . . . 70 SER HB3 . 15253 1 637 . 1 1 70 70 SER C C 13 173.45 0.3 . 1 . . . . 70 SER C . 15253 1 638 . 1 1 70 70 SER CA C 13 57.48 0.3 . 1 . . . . 70 SER CA . 15253 1 639 . 1 1 70 70 SER CB C 13 64.45 0.3 . 1 . . . . 70 SER CB . 15253 1 640 . 1 1 70 70 SER N N 15 114.34 0.5 . 1 . . . . 70 SER N . 15253 1 641 . 1 1 71 71 PHE H H 1 8.47 0.01 . 1 . . . . 71 PHE H . 15253 1 642 . 1 1 71 71 PHE HA H 1 5.23 0.01 . 1 . . . . 71 PHE HA . 15253 1 643 . 1 1 71 71 PHE HB2 H 1 2.96 0.01 . 1 . . . . 71 PHE HB2 . 15253 1 644 . 1 1 71 71 PHE HB3 H 1 2.96 0.01 . 1 . . . . 71 PHE HB3 . 15253 1 645 . 1 1 71 71 PHE CA C 13 57.2 0.3 . 1 . . . . 71 PHE CA . 15253 1 646 . 1 1 71 71 PHE CB C 13 40.97 0.3 . 1 . . . . 71 PHE CB . 15253 1 647 . 1 1 71 71 PHE N N 15 121.17 0.5 . 1 . . . . 71 PHE N . 15253 1 648 . 1 1 72 72 SER HA H 1 4.53 0.01 . 1 . . . . 72 SER HA . 15253 1 649 . 1 1 72 72 SER HB2 H 1 4.06 0.01 . 1 . . . . 72 SER HB2 . 15253 1 650 . 1 1 72 72 SER HB3 H 1 4.06 0.01 . 1 . . . . 72 SER HB3 . 15253 1 651 . 1 1 72 72 SER C C 13 174.52 0.3 . 1 . . . . 72 SER C . 15253 1 652 . 1 1 72 72 SER CA C 13 59.64 0.3 . 1 . . . . 72 SER CA . 15253 1 653 . 1 1 72 72 SER CB C 13 63.33 0.3 . 1 . . . . 72 SER CB . 15253 1 654 . 1 1 73 73 VAL H H 1 7.24 0.01 . 1 . . . . 73 VAL H . 15253 1 655 . 1 1 73 73 VAL HA H 1 4.1 0.01 . 1 . . . . 73 VAL HA . 15253 1 656 . 1 1 73 73 VAL HB H 1 2.1 0.01 . 1 . . . . 73 VAL HB . 15253 1 657 . 1 1 73 73 VAL HG11 H 1 0.88 0.01 . 2 . . . . 73 VAL HG1 . 15253 1 658 . 1 1 73 73 VAL HG12 H 1 0.88 0.01 . 2 . . . . 73 VAL HG1 . 15253 1 659 . 1 1 73 73 VAL HG13 H 1 0.88 0.01 . 2 . . . . 73 VAL HG1 . 15253 1 660 . 1 1 73 73 VAL HG21 H 1 1.06 0.01 . 2 . . . . 73 VAL HG2 . 15253 1 661 . 1 1 73 73 VAL HG22 H 1 1.06 0.01 . 2 . . . . 73 VAL HG2 . 15253 1 662 . 1 1 73 73 VAL HG23 H 1 1.06 0.01 . 2 . . . . 73 VAL HG2 . 15253 1 663 . 1 1 73 73 VAL CA C 13 61.17 0.3 . 1 . . . . 73 VAL CA . 15253 1 664 . 1 1 73 73 VAL CB C 13 33.32 0.3 . 1 . . . . 73 VAL CB . 15253 1 665 . 1 1 73 73 VAL CG1 C 13 19.5 0.3 . 1 . . . . 73 VAL CG1 . 15253 1 666 . 1 1 73 73 VAL CG2 C 13 19.5 0.3 . 1 . . . . 73 VAL CG2 . 15253 1 667 . 1 1 73 73 VAL N N 15 119.28 0.5 . 1 . . . . 73 VAL N . 15253 1 668 . 1 1 74 74 ASP HA H 1 4.49 0.01 . 1 . . . . 74 ASP HA . 15253 1 669 . 1 1 74 74 ASP HB2 H 1 2.86 0.01 . 1 . . . . 74 ASP HB2 . 15253 1 670 . 1 1 74 74 ASP HB3 H 1 2.86 0.01 . 1 . . . . 74 ASP HB3 . 15253 1 671 . 1 1 74 74 ASP C C 13 176.95 0.3 . 1 . . . . 74 ASP C . 15253 1 672 . 1 1 74 74 ASP CA C 13 49.55 0.3 . 1 . . . . 74 ASP CA . 15253 1 673 . 1 1 74 74 ASP CB C 13 40.76 0.3 . 1 . . . . 74 ASP CB . 15253 1 674 . 1 1 75 75 THR H H 1 7.09 0.01 . 1 . . . . 75 THR H . 15253 1 675 . 1 1 75 75 THR HA H 1 4.46 0.01 . 1 . . . . 75 THR HA . 15253 1 676 . 1 1 75 75 THR HB H 1 4.82 0.01 . 1 . . . . 75 THR HB . 15253 1 677 . 1 1 75 75 THR HG21 H 1 1.26 0.01 . 1 . . . . 75 THR HG2 . 15253 1 678 . 1 1 75 75 THR HG22 H 1 1.26 0.01 . 1 . . . . 75 THR HG2 . 15253 1 679 . 1 1 75 75 THR HG23 H 1 1.26 0.01 . 1 . . . . 75 THR HG2 . 15253 1 680 . 1 1 75 75 THR C C 13 172.61 0.3 . 1 . . . . 75 THR C . 15253 1 681 . 1 1 75 75 THR CA C 13 61.31 0.3 . 1 . . . . 75 THR CA . 15253 1 682 . 1 1 75 75 THR CB C 13 68.77 0.3 . 1 . . . . 75 THR CB . 15253 1 683 . 1 1 75 75 THR CG2 C 13 22.01 0.3 . 1 . . . . 75 THR CG2 . 15253 1 684 . 1 1 75 75 THR N N 15 105.73 0.5 . 1 . . . . 75 THR N . 15253 1 685 . 1 1 76 76 ALA H H 1 7.08 0.01 . 1 . . . . 76 ALA H . 15253 1 686 . 1 1 76 76 ALA HA H 1 5.36 0.01 . 1 . . . . 76 ALA HA . 15253 1 687 . 1 1 76 76 ALA HB1 H 1 1.31 0.01 . 1 . . . . 76 ALA HB . 15253 1 688 . 1 1 76 76 ALA HB2 H 1 1.31 0.01 . 1 . . . . 76 ALA HB . 15253 1 689 . 1 1 76 76 ALA HB3 H 1 1.31 0.01 . 1 . . . . 76 ALA HB . 15253 1 690 . 1 1 76 76 ALA C C 13 176.01 0.3 . 1 . . . . 76 ALA C . 15253 1 691 . 1 1 76 76 ALA CA C 13 50.24 0.3 . 1 . . . . 76 ALA CA . 15253 1 692 . 1 1 76 76 ALA CB C 13 20.7 0.3 . 1 . . . . 76 ALA CB . 15253 1 693 . 1 1 76 76 ALA N N 15 123.91 0.5 . 1 . . . . 76 ALA N . 15253 1 694 . 1 1 77 77 HIS H H 1 8.91 0.01 . 1 . . . . 77 HIS H . 15253 1 695 . 1 1 77 77 HIS HA H 1 4.79 0.01 . 1 . . . . 77 HIS HA . 15253 1 696 . 1 1 77 77 HIS HB2 H 1 3.19 0.01 . 2 . . . . 77 HIS HB2 . 15253 1 697 . 1 1 77 77 HIS HB3 H 1 3.23 0.01 . 2 . . . . 77 HIS HB3 . 15253 1 698 . 1 1 77 77 HIS C C 13 174.87 0.3 . 1 . . . . 77 HIS C . 15253 1 699 . 1 1 77 77 HIS CA C 13 54.4 0.3 . 1 . . . . 77 HIS CA . 15253 1 700 . 1 1 77 77 HIS CB C 13 34.03 0.3 . 1 . . . . 77 HIS CB . 15253 1 701 . 1 1 77 77 HIS N N 15 120.27 0.5 . 1 . . . . 77 HIS N . 15253 1 702 . 1 1 78 78 ARG H H 1 8.94 0.01 . 1 . . . . 78 ARG H . 15253 1 703 . 1 1 78 78 ARG HA H 1 5.11 0.01 . 1 . . . . 78 ARG HA . 15253 1 704 . 1 1 78 78 ARG HB2 H 1 1.48 0.01 . 2 . . . . 78 ARG HB2 . 15253 1 705 . 1 1 78 78 ARG HB3 H 1 1.94 0.01 . 2 . . . . 78 ARG HB3 . 15253 1 706 . 1 1 78 78 ARG HD2 H 1 3.07 0.01 . 1 . . . . 78 ARG HD2 . 15253 1 707 . 1 1 78 78 ARG HD3 H 1 3.07 0.01 . 1 . . . . 78 ARG HD3 . 15253 1 708 . 1 1 78 78 ARG HG2 H 1 1.69 0.01 . 1 . . . . 78 ARG HG2 . 15253 1 709 . 1 1 78 78 ARG HG3 H 1 1.69 0.01 . 1 . . . . 78 ARG HG3 . 15253 1 710 . 1 1 78 78 ARG C C 13 174.66 0.3 . 1 . . . . 78 ARG C . 15253 1 711 . 1 1 78 78 ARG CA C 13 55.79 0.3 . 1 . . . . 78 ARG CA . 15253 1 712 . 1 1 78 78 ARG CB C 13 31.07 0.3 . 1 . . . . 78 ARG CB . 15253 1 713 . 1 1 78 78 ARG CD C 13 43.5 0.3 . 1 . . . . 78 ARG CD . 15253 1 714 . 1 1 78 78 ARG CG C 13 27.93 0.3 . 1 . . . . 78 ARG CG . 15253 1 715 . 1 1 78 78 ARG N N 15 124.58 0.5 . 1 . . . . 78 ARG N . 15253 1 716 . 1 1 79 79 ALA H H 1 8.88 0.01 . 1 . . . . 79 ALA H . 15253 1 717 . 1 1 79 79 ALA HA H 1 4.75 0.01 . 1 . . . . 79 ALA HA . 15253 1 718 . 1 1 79 79 ALA HB1 H 1 1.32 0.01 . 1 . . . . 79 ALA HB . 15253 1 719 . 1 1 79 79 ALA HB2 H 1 1.32 0.01 . 1 . . . . 79 ALA HB . 15253 1 720 . 1 1 79 79 ALA HB3 H 1 1.32 0.01 . 1 . . . . 79 ALA HB . 15253 1 721 . 1 1 79 79 ALA C C 13 175.65 0.3 . 1 . . . . 79 ALA C . 15253 1 722 . 1 1 79 79 ALA CA C 13 50.3 0.3 . 1 . . . . 79 ALA CA . 15253 1 723 . 1 1 79 79 ALA CB C 13 22.66 0.3 . 1 . . . . 79 ALA CB . 15253 1 724 . 1 1 79 79 ALA N N 15 126.5 0.5 . 1 . . . . 79 ALA N . 15253 1 725 . 1 1 80 80 ALA H H 1 9.02 0.01 . 1 . . . . 80 ALA H . 15253 1 726 . 1 1 80 80 ALA HA H 1 4.61 0.01 . 1 . . . . 80 ALA HA . 15253 1 727 . 1 1 80 80 ALA HB1 H 1 1.47 0.01 . 1 . . . . 80 ALA HB . 15253 1 728 . 1 1 80 80 ALA HB2 H 1 1.47 0.01 . 1 . . . . 80 ALA HB . 15253 1 729 . 1 1 80 80 ALA HB3 H 1 1.47 0.01 . 1 . . . . 80 ALA HB . 15253 1 730 . 1 1 80 80 ALA C C 13 176.85 0.3 . 1 . . . . 80 ALA C . 15253 1 731 . 1 1 80 80 ALA CA C 13 51.32 0.3 . 1 . . . . 80 ALA CA . 15253 1 732 . 1 1 80 80 ALA CB C 13 20.34 0.3 . 1 . . . . 80 ALA CB . 15253 1 733 . 1 1 80 80 ALA N N 15 120.57 0.5 . 1 . . . . 80 ALA N . 15253 1 734 . 1 1 81 81 SER H H 1 7.44 0.01 . 1 . . . . 81 SER H . 15253 1 735 . 1 1 81 81 SER HA H 1 4.29 0.01 . 1 . . . . 81 SER HA . 15253 1 736 . 1 1 81 81 SER HB2 H 1 3.93 0.01 . 1 . . . . 81 SER HB2 . 15253 1 737 . 1 1 81 81 SER HB3 H 1 3.93 0.01 . 1 . . . . 81 SER HB3 . 15253 1 738 . 1 1 81 81 SER C C 13 174.09 0.3 . 1 . . . . 81 SER C . 15253 1 739 . 1 1 81 81 SER CA C 13 55.65 0.3 . 1 . . . . 81 SER CA . 15253 1 740 . 1 1 81 81 SER CB C 13 66.67 0.3 . 1 . . . . 81 SER CB . 15253 1 741 . 1 1 81 81 SER N N 15 109.3 0.5 . 1 . . . . 81 SER N . 15253 1 742 . 1 1 82 82 VAL H H 1 8.8 0.01 . 1 . . . . 82 VAL H . 15253 1 743 . 1 1 82 82 VAL HA H 1 3.28 0.01 . 1 . . . . 82 VAL HA . 15253 1 744 . 1 1 82 82 VAL HB H 1 1.61 0.01 . 1 . . . . 82 VAL HB . 15253 1 745 . 1 1 82 82 VAL HG11 H 1 0.04 0.01 . 1 . . . . 82 VAL HG1 . 15253 1 746 . 1 1 82 82 VAL HG12 H 1 0.04 0.01 . 1 . . . . 82 VAL HG1 . 15253 1 747 . 1 1 82 82 VAL HG13 H 1 0.04 0.01 . 1 . . . . 82 VAL HG1 . 15253 1 748 . 1 1 82 82 VAL C C 13 176.95 0.3 . 1 . . . . 82 VAL C . 15253 1 749 . 1 1 82 82 VAL CA C 13 66.31 0.3 . 1 . . . . 82 VAL CA . 15253 1 750 . 1 1 82 82 VAL CB C 13 31.04 0.3 . 1 . . . . 82 VAL CB . 15253 1 751 . 1 1 82 82 VAL N N 15 123.46 0.5 . 1 . . . . 82 VAL N . 15253 1 752 . 1 1 83 83 GLU H H 1 8.45 0.01 . 1 . . . . 83 GLU H . 15253 1 753 . 1 1 83 83 GLU HA H 1 3.8 0.01 . 1 . . . . 83 GLU HA . 15253 1 754 . 1 1 83 83 GLU HB2 H 1 2.09 0.01 . 1 . . . . 83 GLU HB2 . 15253 1 755 . 1 1 83 83 GLU HB3 H 1 2.09 0.01 . 1 . . . . 83 GLU HB3 . 15253 1 756 . 1 1 83 83 GLU HG2 H 1 2.28 0.01 . 1 . . . . 83 GLU HG2 . 15253 1 757 . 1 1 83 83 GLU HG3 H 1 2.28 0.01 . 1 . . . . 83 GLU HG3 . 15253 1 758 . 1 1 83 83 GLU C C 13 178.87 0.3 . 1 . . . . 83 GLU C . 15253 1 759 . 1 1 83 83 GLU CA C 13 59.6 0.3 . 1 . . . . 83 GLU CA . 15253 1 760 . 1 1 83 83 GLU CB C 13 28.58 0.3 . 1 . . . . 83 GLU CB . 15253 1 761 . 1 1 83 83 GLU CG C 13 36.4 0.3 . 1 . . . . 83 GLU CG . 15253 1 762 . 1 1 83 83 GLU N N 15 117.25 0.5 . 1 . . . . 83 GLU N . 15253 1 763 . 1 1 84 84 GLU H H 1 7.86 0.01 . 1 . . . . 84 GLU H . 15253 1 764 . 1 1 84 84 GLU HA H 1 4.23 0.01 . 1 . . . . 84 GLU HA . 15253 1 765 . 1 1 84 84 GLU HB2 H 1 2.05 0.01 . 1 . . . . 84 GLU HB2 . 15253 1 766 . 1 1 84 84 GLU HB3 H 1 2.05 0.01 . 1 . . . . 84 GLU HB3 . 15253 1 767 . 1 1 84 84 GLU HG2 H 1 2.43 0.01 . 1 . . . . 84 GLU HG2 . 15253 1 768 . 1 1 84 84 GLU HG3 H 1 2.43 0.01 . 1 . . . . 84 GLU HG3 . 15253 1 769 . 1 1 84 84 GLU C C 13 178.13 0.3 . 1 . . . . 84 GLU C . 15253 1 770 . 1 1 84 84 GLU CA C 13 58.83 0.3 . 1 . . . . 84 GLU CA . 15253 1 771 . 1 1 84 84 GLU CB C 13 29.84 0.3 . 1 . . . . 84 GLU CB . 15253 1 772 . 1 1 84 84 GLU CG C 13 36.93 0.3 . 1 . . . . 84 GLU CG . 15253 1 773 . 1 1 84 84 GLU N N 15 118.56 0.5 . 1 . . . . 84 GLU N . 15253 1 774 . 1 1 85 85 ALA H H 1 8.1 0.01 . 1 . . . . 85 ALA H . 15253 1 775 . 1 1 85 85 ALA HA H 1 3.96 0.01 . 1 . . . . 85 ALA HA . 15253 1 776 . 1 1 85 85 ALA HB1 H 1 1.55 0.01 . 1 . . . . 85 ALA HB . 15253 1 777 . 1 1 85 85 ALA HB2 H 1 1.55 0.01 . 1 . . . . 85 ALA HB . 15253 1 778 . 1 1 85 85 ALA HB3 H 1 1.55 0.01 . 1 . . . . 85 ALA HB . 15253 1 779 . 1 1 85 85 ALA C C 13 179.01 0.3 . 1 . . . . 85 ALA C . 15253 1 780 . 1 1 85 85 ALA CA C 13 55.4 0.3 . 1 . . . . 85 ALA CA . 15253 1 781 . 1 1 85 85 ALA CB C 13 18.13 0.3 . 1 . . . . 85 ALA CB . 15253 1 782 . 1 1 85 85 ALA N N 15 121.27 0.5 . 1 . . . . 85 ALA N . 15253 1 783 . 1 1 86 86 VAL H H 1 8.26 0.01 . 1 . . . . 86 VAL H . 15253 1 784 . 1 1 86 86 VAL HA H 1 3.43 0.01 . 1 . . . . 86 VAL HA . 15253 1 785 . 1 1 86 86 VAL HB H 1 2.13 0.01 . 1 . . . . 86 VAL HB . 15253 1 786 . 1 1 86 86 VAL HG11 H 1 0.93 0.01 . 1 . . . . 86 VAL HG1 . 15253 1 787 . 1 1 86 86 VAL HG12 H 1 0.93 0.01 . 1 . . . . 86 VAL HG1 . 15253 1 788 . 1 1 86 86 VAL HG13 H 1 0.93 0.01 . 1 . . . . 86 VAL HG1 . 15253 1 789 . 1 1 86 86 VAL C C 13 177.61 0.3 . 1 . . . . 86 VAL C . 15253 1 790 . 1 1 86 86 VAL CA C 13 66.58 0.3 . 1 . . . . 86 VAL CA . 15253 1 791 . 1 1 86 86 VAL CB C 13 30.95 0.3 . 1 . . . . 86 VAL CB . 15253 1 792 . 1 1 86 86 VAL CG1 C 13 20.33 0.3 . 1 . . . . 86 VAL CG1 . 15253 1 793 . 1 1 86 86 VAL N N 15 116.27 0.5 . 1 . . . . 86 VAL N . 15253 1 794 . 1 1 87 87 ASP H H 1 7.95 0.01 . 1 . . . . 87 ASP H . 15253 1 795 . 1 1 87 87 ASP HA H 1 4.48 0.01 . 1 . . . . 87 ASP HA . 15253 1 796 . 1 1 87 87 ASP HB2 H 1 2.84 0.01 . 1 . . . . 87 ASP HB2 . 15253 1 797 . 1 1 87 87 ASP HB3 H 1 2.84 0.01 . 1 . . . . 87 ASP HB3 . 15253 1 798 . 1 1 87 87 ASP C C 13 180.15 0.3 . 1 . . . . 87 ASP C . 15253 1 799 . 1 1 87 87 ASP CA C 13 57.23 0.3 . 1 . . . . 87 ASP CA . 15253 1 800 . 1 1 87 87 ASP CB C 13 40.4 0.3 . 1 . . . . 87 ASP CB . 15253 1 801 . 1 1 87 87 ASP N N 15 120.44 0.5 . 1 . . . . 87 ASP N . 15253 1 802 . 1 1 88 88 ILE H H 1 8.59 0.01 . 1 . . . . 88 ILE H . 15253 1 803 . 1 1 88 88 ILE HA H 1 3.6 0.01 . 1 . . . . 88 ILE HA . 15253 1 804 . 1 1 88 88 ILE HB H 1 1.74 0.01 . 1 . . . . 88 ILE HB . 15253 1 805 . 1 1 88 88 ILE HD11 H 1 0.41 0.01 . 1 . . . . 88 ILE HD1 . 15253 1 806 . 1 1 88 88 ILE HD12 H 1 0.41 0.01 . 1 . . . . 88 ILE HD1 . 15253 1 807 . 1 1 88 88 ILE HD13 H 1 0.41 0.01 . 1 . . . . 88 ILE HD1 . 15253 1 808 . 1 1 88 88 ILE HG12 H 1 0.99 0.01 . 1 . . . . 88 ILE HG12 . 15253 1 809 . 1 1 88 88 ILE HG13 H 1 0.99 0.01 . 1 . . . . 88 ILE HG13 . 15253 1 810 . 1 1 88 88 ILE HG21 H 1 0.45 0.01 . 1 . . . . 88 ILE HG2 . 15253 1 811 . 1 1 88 88 ILE HG22 H 1 0.45 0.01 . 1 . . . . 88 ILE HG2 . 15253 1 812 . 1 1 88 88 ILE HG23 H 1 0.45 0.01 . 1 . . . . 88 ILE HG2 . 15253 1 813 . 1 1 88 88 ILE C C 13 179.27 0.3 . 1 . . . . 88 ILE C . 15253 1 814 . 1 1 88 88 ILE CA C 13 64.81 0.3 . 1 . . . . 88 ILE CA . 15253 1 815 . 1 1 88 88 ILE CB C 13 37.46 0.3 . 1 . . . . 88 ILE CB . 15253 1 816 . 1 1 88 88 ILE CD1 C 13 13.28 0.3 . 1 . . . . 88 ILE CD1 . 15253 1 817 . 1 1 88 88 ILE CG1 C 13 28.64 0.3 . 1 . . . . 88 ILE CG1 . 15253 1 818 . 1 1 88 88 ILE CG2 C 13 16.37 0.3 . 1 . . . . 88 ILE CG2 . 15253 1 819 . 1 1 88 88 ILE N N 15 121.66 0.5 . 1 . . . . 88 ILE N . 15253 1 820 . 1 1 89 89 ALA H H 1 8.26 0.01 . 1 . . . . 89 ALA H . 15253 1 821 . 1 1 89 89 ALA HA H 1 3.7 0.01 . 1 . . . . 89 ALA HA . 15253 1 822 . 1 1 89 89 ALA HB1 H 1 1.25 0.01 . 1 . . . . 89 ALA HB . 15253 1 823 . 1 1 89 89 ALA HB2 H 1 1.25 0.01 . 1 . . . . 89 ALA HB . 15253 1 824 . 1 1 89 89 ALA HB3 H 1 1.25 0.01 . 1 . . . . 89 ALA HB . 15253 1 825 . 1 1 89 89 ALA C C 13 179 0.3 . 1 . . . . 89 ALA C . 15253 1 826 . 1 1 89 89 ALA CA C 13 55.76 0.3 . 1 . . . . 89 ALA CA . 15253 1 827 . 1 1 89 89 ALA CB C 13 16.33 0.3 . 1 . . . . 89 ALA CB . 15253 1 828 . 1 1 89 89 ALA N N 15 122.89 0.5 . 1 . . . . 89 ALA N . 15253 1 829 . 1 1 90 90 ALA H H 1 8.64 0.01 . 1 . . . . 90 ALA H . 15253 1 830 . 1 1 90 90 ALA HA H 1 4.27 0.01 . 1 . . . . 90 ALA HA . 15253 1 831 . 1 1 90 90 ALA HB1 H 1 1.47 0.01 . 1 . . . . 90 ALA HB . 15253 1 832 . 1 1 90 90 ALA HB2 H 1 1.47 0.01 . 1 . . . . 90 ALA HB . 15253 1 833 . 1 1 90 90 ALA HB3 H 1 1.47 0.01 . 1 . . . . 90 ALA HB . 15253 1 834 . 1 1 90 90 ALA C C 13 182.25 0.3 . 1 . . . . 90 ALA C . 15253 1 835 . 1 1 90 90 ALA CA C 13 54.7 0.3 . 1 . . . . 90 ALA CA . 15253 1 836 . 1 1 90 90 ALA CB C 13 17.54 0.3 . 1 . . . . 90 ALA CB . 15253 1 837 . 1 1 90 90 ALA N N 15 119.56 0.5 . 1 . . . . 90 ALA N . 15253 1 838 . 1 1 91 91 SER H H 1 8.22 0.01 . 1 . . . . 91 SER H . 15253 1 839 . 1 1 91 91 SER HA H 1 4.38 0.01 . 1 . . . . 91 SER HA . 15253 1 840 . 1 1 91 91 SER HB2 H 1 4.05 0.01 . 1 . . . . 91 SER HB2 . 15253 1 841 . 1 1 91 91 SER HB3 H 1 4.05 0.01 . 1 . . . . 91 SER HB3 . 15253 1 842 . 1 1 91 91 SER C C 13 174.98 0.3 . 1 . . . . 91 SER C . 15253 1 843 . 1 1 91 91 SER CA C 13 60.95 0.3 . 1 . . . . 91 SER CA . 15253 1 844 . 1 1 91 91 SER CB C 13 62.83 0.3 . 1 . . . . 91 SER CB . 15253 1 845 . 1 1 91 91 SER N N 15 118.25 0.5 . 1 . . . . 91 SER N . 15253 1 846 . 1 1 92 92 LEU H H 1 7.37 0.01 . 1 . . . . 92 LEU H . 15253 1 847 . 1 1 92 92 LEU HA H 1 4.23 0.01 . 1 . . . . 92 LEU HA . 15253 1 848 . 1 1 92 92 LEU HB2 H 1 1.67 0.01 . 1 . . . . 92 LEU HB2 . 15253 1 849 . 1 1 92 92 LEU HB3 H 1 1.67 0.01 . 1 . . . . 92 LEU HB3 . 15253 1 850 . 1 1 92 92 LEU HD11 H 1 0.68 0.01 . 2 . . . . 92 LEU HD1 . 15253 1 851 . 1 1 92 92 LEU HD12 H 1 0.68 0.01 . 2 . . . . 92 LEU HD1 . 15253 1 852 . 1 1 92 92 LEU HD13 H 1 0.68 0.01 . 2 . . . . 92 LEU HD1 . 15253 1 853 . 1 1 92 92 LEU HD21 H 1 0.47 0.01 . 2 . . . . 92 LEU HD2 . 15253 1 854 . 1 1 92 92 LEU HD22 H 1 0.47 0.01 . 2 . . . . 92 LEU HD2 . 15253 1 855 . 1 1 92 92 LEU HD23 H 1 0.47 0.01 . 2 . . . . 92 LEU HD2 . 15253 1 856 . 1 1 92 92 LEU HG H 1 1.69 0.01 . 1 . . . . 92 LEU HG . 15253 1 857 . 1 1 92 92 LEU C C 13 176.54 0.3 . 1 . . . . 92 LEU C . 15253 1 858 . 1 1 92 92 LEU CA C 13 54.24 0.3 . 1 . . . . 92 LEU CA . 15253 1 859 . 1 1 92 92 LEU CB C 13 40.17 0.3 . 1 . . . . 92 LEU CB . 15253 1 860 . 1 1 92 92 LEU CD1 C 13 21.72 0.3 . 2 . . . . 92 LEU CD1 . 15253 1 861 . 1 1 92 92 LEU CD2 C 13 25.13 0.3 . 2 . . . . 92 LEU CD2 . 15253 1 862 . 1 1 92 92 LEU CG C 13 25.75 0.3 . 1 . . . . 92 LEU CG . 15253 1 863 . 1 1 92 92 LEU N N 15 122.26 0.5 . 1 . . . . 92 LEU N . 15253 1 864 . 1 1 93 93 ASP H H 1 8.23 0.01 . 1 . . . . 93 ASP H . 15253 1 865 . 1 1 93 93 ASP HA H 1 4.39 0.01 . 1 . . . . 93 ASP HA . 15253 1 866 . 1 1 93 93 ASP HB2 H 1 2.73 0.01 . 2 . . . . 93 ASP HB2 . 15253 1 867 . 1 1 93 93 ASP HB3 H 1 3.06 0.01 . 2 . . . . 93 ASP HB3 . 15253 1 868 . 1 1 93 93 ASP C C 13 174.96 0.3 . 1 . . . . 93 ASP C . 15253 1 869 . 1 1 93 93 ASP CA C 13 54.91 0.3 . 1 . . . . 93 ASP CA . 15253 1 870 . 1 1 93 93 ASP CB C 13 38.84 0.3 . 1 . . . . 93 ASP CB . 15253 1 871 . 1 1 93 93 ASP N N 15 117.58 0.5 . 1 . . . . 93 ASP N . 15253 1 872 . 1 1 94 94 ALA H H 1 7.36 0.01 . 1 . . . . 94 ALA H . 15253 1 873 . 1 1 94 94 ALA HA H 1 4.53 0.01 . 1 . . . . 94 ALA HA . 15253 1 874 . 1 1 94 94 ALA HB1 H 1 1.27 0.01 . 1 . . . . 94 ALA HB . 15253 1 875 . 1 1 94 94 ALA HB2 H 1 1.27 0.01 . 1 . . . . 94 ALA HB . 15253 1 876 . 1 1 94 94 ALA HB3 H 1 1.27 0.01 . 1 . . . . 94 ALA HB . 15253 1 877 . 1 1 94 94 ALA C C 13 177.57 0.3 . 1 . . . . 94 ALA C . 15253 1 878 . 1 1 94 94 ALA CA C 13 51.93 0.3 . 1 . . . . 94 ALA CA . 15253 1 879 . 1 1 94 94 ALA CB C 13 20.34 0.3 . 1 . . . . 94 ALA CB . 15253 1 880 . 1 1 94 94 ALA N N 15 119.57 0.5 . 1 . . . . 94 ALA N . 15253 1 881 . 1 1 95 95 GLU H H 1 8.93 0.01 . 1 . . . . 95 GLU H . 15253 1 882 . 1 1 95 95 GLU HA H 1 4.45 0.01 . 1 . . . . 95 GLU HA . 15253 1 883 . 1 1 95 95 GLU HB2 H 1 1.98 0.01 . 1 . . . . 95 GLU HB2 . 15253 1 884 . 1 1 95 95 GLU HB3 H 1 1.98 0.01 . 1 . . . . 95 GLU HB3 . 15253 1 885 . 1 1 95 95 GLU HG2 H 1 2.34 0.01 . 1 . . . . 95 GLU HG2 . 15253 1 886 . 1 1 95 95 GLU HG3 H 1 2.34 0.01 . 1 . . . . 95 GLU HG3 . 15253 1 887 . 1 1 95 95 GLU C C 13 176.7 0.3 . 1 . . . . 95 GLU C . 15253 1 888 . 1 1 95 95 GLU CA C 13 56.74 0.3 . 1 . . . . 95 GLU CA . 15253 1 889 . 1 1 95 95 GLU CB C 13 30.48 0.3 . 1 . . . . 95 GLU CB . 15253 1 890 . 1 1 95 95 GLU CG C 13 36.43 0.3 . 1 . . . . 95 GLU CG . 15253 1 891 . 1 1 95 95 GLU N N 15 119.52 0.5 . 1 . . . . 95 GLU N . 15253 1 892 . 1 1 96 96 THR H H 1 7.51 0.01 . 1 . . . . 96 THR H . 15253 1 893 . 1 1 96 96 THR HA H 1 5.17 0.01 . 1 . . . . 96 THR HA . 15253 1 894 . 1 1 96 96 THR HB H 1 3.32 0.01 . 1 . . . . 96 THR HB . 15253 1 895 . 1 1 96 96 THR HG21 H 1 0.42 0.01 . 1 . . . . 96 THR HG2 . 15253 1 896 . 1 1 96 96 THR HG22 H 1 0.42 0.01 . 1 . . . . 96 THR HG2 . 15253 1 897 . 1 1 96 96 THR HG23 H 1 0.42 0.01 . 1 . . . . 96 THR HG2 . 15253 1 898 . 1 1 96 96 THR C C 13 171.76 0.3 . 1 . . . . 96 THR C . 15253 1 899 . 1 1 96 96 THR CA C 13 61.32 0.3 . 1 . . . . 96 THR CA . 15253 1 900 . 1 1 96 96 THR CB C 13 72.26 0.3 . 1 . . . . 96 THR CB . 15253 1 901 . 1 1 96 96 THR CG2 C 13 22.43 0.3 . 1 . . . . 96 THR CG2 . 15253 1 902 . 1 1 96 96 THR N N 15 118 0.5 . 1 . . . . 96 THR N . 15253 1 903 . 1 1 97 97 ALA H H 1 8.23 0.01 . 1 . . . . 97 ALA H . 15253 1 904 . 1 1 97 97 ALA HA H 1 4.89 0.01 . 1 . . . . 97 ALA HA . 15253 1 905 . 1 1 97 97 ALA HB1 H 1 0.92 0.01 . 1 . . . . 97 ALA HB . 15253 1 906 . 1 1 97 97 ALA HB2 H 1 0.92 0.01 . 1 . . . . 97 ALA HB . 15253 1 907 . 1 1 97 97 ALA HB3 H 1 0.92 0.01 . 1 . . . . 97 ALA HB . 15253 1 908 . 1 1 97 97 ALA C C 13 175.18 0.3 . 1 . . . . 97 ALA C . 15253 1 909 . 1 1 97 97 ALA CA C 13 49.94 0.3 . 1 . . . . 97 ALA CA . 15253 1 910 . 1 1 97 97 ALA CB C 13 19.75 0.3 . 1 . . . . 97 ALA CB . 15253 1 911 . 1 1 97 97 ALA N N 15 123.18 0.5 . 1 . . . . 97 ALA N . 15253 1 912 . 1 1 98 98 TYR H H 1 8.37 0.01 . 1 . . . . 98 TYR H . 15253 1 913 . 1 1 98 98 TYR HA H 1 5.05 0.01 . 1 . . . . 98 TYR HA . 15253 1 914 . 1 1 98 98 TYR HB2 H 1 2.71 0.01 . 1 . . . . 98 TYR HB2 . 15253 1 915 . 1 1 98 98 TYR HB3 H 1 2.71 0.01 . 1 . . . . 98 TYR HB3 . 15253 1 916 . 1 1 98 98 TYR C C 13 175.18 0.3 . 1 . . . . 98 TYR C . 15253 1 917 . 1 1 98 98 TYR CA C 13 56.57 0.3 . 1 . . . . 98 TYR CA . 15253 1 918 . 1 1 98 98 TYR CB C 13 40.62 0.3 . 1 . . . . 98 TYR CB . 15253 1 919 . 1 1 98 98 TYR N N 15 119.99 0.5 . 1 . . . . 98 TYR N . 15253 1 920 . 1 1 99 99 VAL H H 1 9.65 0.01 . 1 . . . . 99 VAL H . 15253 1 921 . 1 1 99 99 VAL HA H 1 3.73 0.01 . 1 . . . . 99 VAL HA . 15253 1 922 . 1 1 99 99 VAL HB H 1 2 0.01 . 1 . . . . 99 VAL HB . 15253 1 923 . 1 1 99 99 VAL HG11 H 1 0.24 0.01 . 2 . . . . 99 VAL HG1 . 15253 1 924 . 1 1 99 99 VAL HG12 H 1 0.24 0.01 . 2 . . . . 99 VAL HG1 . 15253 1 925 . 1 1 99 99 VAL HG13 H 1 0.24 0.01 . 2 . . . . 99 VAL HG1 . 15253 1 926 . 1 1 99 99 VAL HG21 H 1 0.68 0.01 . 2 . . . . 99 VAL HG2 . 15253 1 927 . 1 1 99 99 VAL HG22 H 1 0.68 0.01 . 2 . . . . 99 VAL HG2 . 15253 1 928 . 1 1 99 99 VAL HG23 H 1 0.68 0.01 . 2 . . . . 99 VAL HG2 . 15253 1 929 . 1 1 99 99 VAL C C 13 177.26 0.3 . 1 . . . . 99 VAL C . 15253 1 930 . 1 1 99 99 VAL CA C 13 61.55 0.3 . 1 . . . . 99 VAL CA . 15253 1 931 . 1 1 99 99 VAL CB C 13 32.2 0.3 . 1 . . . . 99 VAL CB . 15253 1 932 . 1 1 99 99 VAL CG1 C 13 21.79 0.3 . 1 . . . . 99 VAL CG1 . 15253 1 933 . 1 1 99 99 VAL CG2 C 13 21.79 0.3 . 1 . . . . 99 VAL CG2 . 15253 1 934 . 1 1 99 99 VAL N N 15 125.36 0.5 . 1 . . . . 99 VAL N . 15253 1 935 . 1 1 100 100 ILE H H 1 8.51 0.01 . 1 . . . . 100 ILE H . 15253 1 936 . 1 1 100 100 ILE HA H 1 4.15 0.01 . 1 . . . . 100 ILE HA . 15253 1 937 . 1 1 100 100 ILE HB H 1 2.52 0.01 . 1 . . . . 100 ILE HB . 15253 1 938 . 1 1 100 100 ILE HD11 H 1 0.74 0.01 . 1 . . . . 100 ILE HD1 . 15253 1 939 . 1 1 100 100 ILE HD12 H 1 0.74 0.01 . 1 . . . . 100 ILE HD1 . 15253 1 940 . 1 1 100 100 ILE HD13 H 1 0.74 0.01 . 1 . . . . 100 ILE HD1 . 15253 1 941 . 1 1 100 100 ILE HG12 H 1 1.44 0.01 . 1 . . . . 100 ILE HG12 . 15253 1 942 . 1 1 100 100 ILE HG13 H 1 1.44 0.01 . 1 . . . . 100 ILE HG13 . 15253 1 943 . 1 1 100 100 ILE HG21 H 1 1.11 0.01 . 1 . . . . 100 ILE HG2 . 15253 1 944 . 1 1 100 100 ILE HG22 H 1 1.11 0.01 . 1 . . . . 100 ILE HG2 . 15253 1 945 . 1 1 100 100 ILE HG23 H 1 1.11 0.01 . 1 . . . . 100 ILE HG2 . 15253 1 946 . 1 1 100 100 ILE C C 13 174.54 0.3 . 1 . . . . 100 ILE C . 15253 1 947 . 1 1 100 100 ILE CA C 13 61.46 0.3 . 1 . . . . 100 ILE CA . 15253 1 948 . 1 1 100 100 ILE CB C 13 38.04 0.3 . 1 . . . . 100 ILE CB . 15253 1 949 . 1 1 100 100 ILE CD1 C 13 12.28 0.3 . 1 . . . . 100 ILE CD1 . 15253 1 950 . 1 1 100 100 ILE CG1 C 13 21.83 0.3 . 1 . . . . 100 ILE CG1 . 15253 1 951 . 1 1 100 100 ILE CG2 C 13 14.46 0.3 . 1 . . . . 100 ILE CG2 . 15253 1 952 . 1 1 100 100 ILE N N 15 117.15 0.5 . 1 . . . . 100 ILE N . 15253 1 953 . 1 1 101 101 GLY H H 1 5.91 0.01 . 1 . . . . 101 GLY H . 15253 1 954 . 1 1 101 101 GLY HA2 H 1 4.24 0.01 . 1 . . . . 101 GLY HA2 . 15253 1 955 . 1 1 101 101 GLY HA3 H 1 4.24 0.01 . 1 . . . . 101 GLY HA3 . 15253 1 956 . 1 1 101 101 GLY C C 13 174.8 0.3 . 1 . . . . 101 GLY C . 15253 1 957 . 1 1 101 101 GLY CA C 13 41.78 0.3 . 1 . . . . 101 GLY CA . 15253 1 958 . 1 1 101 101 GLY N N 15 104.31 0.5 . 1 . . . . 101 GLY N . 15253 1 959 . 1 1 102 102 GLY H H 1 7.79 0.01 . 1 . . . . 102 GLY H . 15253 1 960 . 1 1 102 102 GLY HA2 H 1 4.03 0.01 . 1 . . . . 102 GLY HA2 . 15253 1 961 . 1 1 102 102 GLY HA3 H 1 4.03 0.01 . 1 . . . . 102 GLY HA3 . 15253 1 962 . 1 1 102 102 GLY C C 13 173.84 0.3 . 1 . . . . 102 GLY C . 15253 1 963 . 1 1 102 102 GLY CA C 13 45.67 0.3 . 1 . . . . 102 GLY CA . 15253 1 964 . 1 1 102 102 GLY N N 15 108.45 0.5 . 1 . . . . 102 GLY N . 15253 1 965 . 1 1 103 103 ALA H H 1 8.98 0.01 . 1 . . . . 103 ALA H . 15253 1 966 . 1 1 103 103 ALA HA H 1 3.89 0.01 . 1 . . . . 103 ALA HA . 15253 1 967 . 1 1 103 103 ALA HB1 H 1 1.6 0.01 . 1 . . . . 103 ALA HB . 15253 1 968 . 1 1 103 103 ALA HB2 H 1 1.6 0.01 . 1 . . . . 103 ALA HB . 15253 1 969 . 1 1 103 103 ALA HB3 H 1 1.6 0.01 . 1 . . . . 103 ALA HB . 15253 1 970 . 1 1 103 103 ALA C C 13 178.43 0.3 . 1 . . . . 103 ALA C . 15253 1 971 . 1 1 103 103 ALA CA C 13 56.12 0.3 . 1 . . . . 103 ALA CA . 15253 1 972 . 1 1 103 103 ALA CB C 13 18.25 0.3 . 1 . . . . 103 ALA CB . 15253 1 973 . 1 1 103 103 ALA N N 15 125.07 0.5 . 1 . . . . 103 ALA N . 15253 1 974 . 1 1 104 104 ALA H H 1 8.6 0.01 . 1 . . . . 104 ALA H . 15253 1 975 . 1 1 104 104 ALA HA H 1 4.43 0.01 . 1 . . . . 104 ALA HA . 15253 1 976 . 1 1 104 104 ALA HB1 H 1 1.54 0.01 . 1 . . . . 104 ALA HB . 15253 1 977 . 1 1 104 104 ALA HB2 H 1 1.54 0.01 . 1 . . . . 104 ALA HB . 15253 1 978 . 1 1 104 104 ALA HB3 H 1 1.54 0.01 . 1 . . . . 104 ALA HB . 15253 1 979 . 1 1 104 104 ALA C C 13 180.11 0.3 . 1 . . . . 104 ALA C . 15253 1 980 . 1 1 104 104 ALA CA C 13 54.2 0.3 . 1 . . . . 104 ALA CA . 15253 1 981 . 1 1 104 104 ALA CB C 13 18.44 0.3 . 1 . . . . 104 ALA CB . 15253 1 982 . 1 1 104 104 ALA N N 15 117.5 0.5 . 1 . . . . 104 ALA N . 15253 1 983 . 1 1 105 105 ILE H H 1 7.37 0.01 . 1 . . . . 105 ILE H . 15253 1 984 . 1 1 105 105 ILE HA H 1 4.21 0.01 . 1 . . . . 105 ILE HA . 15253 1 985 . 1 1 105 105 ILE HB H 1 1.99 0.01 . 1 . . . . 105 ILE HB . 15253 1 986 . 1 1 105 105 ILE HD11 H 1 0.77 0.01 . 1 . . . . 105 ILE HD1 . 15253 1 987 . 1 1 105 105 ILE HD12 H 1 0.77 0.01 . 1 . . . . 105 ILE HD1 . 15253 1 988 . 1 1 105 105 ILE HD13 H 1 0.77 0.01 . 1 . . . . 105 ILE HD1 . 15253 1 989 . 1 1 105 105 ILE HG12 H 1 1.34 0.01 . 1 . . . . 105 ILE HG12 . 15253 1 990 . 1 1 105 105 ILE HG13 H 1 1.34 0.01 . 1 . . . . 105 ILE HG13 . 15253 1 991 . 1 1 105 105 ILE C C 13 179 0.3 . 1 . . . . 105 ILE C . 15253 1 992 . 1 1 105 105 ILE CA C 13 61.41 0.3 . 1 . . . . 105 ILE CA . 15253 1 993 . 1 1 105 105 ILE CB C 13 34.71 0.3 . 1 . . . . 105 ILE CB . 15253 1 994 . 1 1 105 105 ILE CG1 C 13 25.2 0.3 . 1 . . . . 105 ILE CG1 . 15253 1 995 . 1 1 105 105 ILE N N 15 119.8 0.5 . 1 . . . . 105 ILE N . 15253 1 996 . 1 1 106 106 TYR H H 1 8.63 0.01 . 1 . . . . 106 TYR H . 15253 1 997 . 1 1 106 106 TYR HA H 1 4.43 0.01 . 1 . . . . 106 TYR HA . 15253 1 998 . 1 1 106 106 TYR HB2 H 1 2.65 0.01 . 1 . . . . 106 TYR HB2 . 15253 1 999 . 1 1 106 106 TYR HB3 H 1 2.65 0.01 . 1 . . . . 106 TYR HB3 . 15253 1 1000 . 1 1 106 106 TYR C C 13 179.34 0.3 . 1 . . . . 106 TYR C . 15253 1 1001 . 1 1 106 106 TYR CA C 13 60.4 0.3 . 1 . . . . 106 TYR CA . 15253 1 1002 . 1 1 106 106 TYR CB C 13 37.34 0.3 . 1 . . . . 106 TYR CB . 15253 1 1003 . 1 1 106 106 TYR N N 15 119.28 0.5 . 1 . . . . 106 TYR N . 15253 1 1004 . 1 1 107 107 ALA H H 1 8.18 0.01 . 1 . . . . 107 ALA H . 15253 1 1005 . 1 1 107 107 ALA HA H 1 4.26 0.01 . 1 . . . . 107 ALA HA . 15253 1 1006 . 1 1 107 107 ALA HB1 H 1 1.55 0.01 . 1 . . . . 107 ALA HB . 15253 1 1007 . 1 1 107 107 ALA HB2 H 1 1.55 0.01 . 1 . . . . 107 ALA HB . 15253 1 1008 . 1 1 107 107 ALA HB3 H 1 1.55 0.01 . 1 . . . . 107 ALA HB . 15253 1 1009 . 1 1 107 107 ALA C C 13 179.44 0.3 . 1 . . . . 107 ALA C . 15253 1 1010 . 1 1 107 107 ALA CA C 13 55.18 0.3 . 1 . . . . 107 ALA CA . 15253 1 1011 . 1 1 107 107 ALA CB C 13 17.71 0.3 . 1 . . . . 107 ALA CB . 15253 1 1012 . 1 1 107 107 ALA N N 15 119.17 0.5 . 1 . . . . 107 ALA N . 15253 1 1013 . 1 1 108 108 LEU H H 1 7.7 0.01 . 1 . . . . 108 LEU H . 15253 1 1014 . 1 1 108 108 LEU HA H 1 4.13 0.01 . 1 . . . . 108 LEU HA . 15253 1 1015 . 1 1 108 108 LEU HB2 H 1 1.79 0.01 . 1 . . . . 108 LEU HB2 . 15253 1 1016 . 1 1 108 108 LEU HB3 H 1 1.79 0.01 . 1 . . . . 108 LEU HB3 . 15253 1 1017 . 1 1 108 108 LEU HD11 H 1 0.79 0.01 . 2 . . . . 108 LEU HD1 . 15253 1 1018 . 1 1 108 108 LEU HD12 H 1 0.79 0.01 . 2 . . . . 108 LEU HD1 . 15253 1 1019 . 1 1 108 108 LEU HD13 H 1 0.79 0.01 . 2 . . . . 108 LEU HD1 . 15253 1 1020 . 1 1 108 108 LEU HD21 H 1 0.93 0.01 . 2 . . . . 108 LEU HD2 . 15253 1 1021 . 1 1 108 108 LEU HD22 H 1 0.93 0.01 . 2 . . . . 108 LEU HD2 . 15253 1 1022 . 1 1 108 108 LEU HD23 H 1 0.93 0.01 . 2 . . . . 108 LEU HD2 . 15253 1 1023 . 1 1 108 108 LEU HG H 1 1.31 0.01 . 1 . . . . 108 LEU HG . 15253 1 1024 . 1 1 108 108 LEU C C 13 178.22 0.3 . 1 . . . . 108 LEU C . 15253 1 1025 . 1 1 108 108 LEU CA C 13 57.1 0.3 . 1 . . . . 108 LEU CA . 15253 1 1026 . 1 1 108 108 LEU CB C 13 42.62 0.3 . 1 . . . . 108 LEU CB . 15253 1 1027 . 1 1 108 108 LEU CD1 C 13 22.41 0.3 . 1 . . . . 108 LEU CD1 . 15253 1 1028 . 1 1 108 108 LEU CD2 C 13 22.41 0.3 . 1 . . . . 108 LEU CD2 . 15253 1 1029 . 1 1 108 108 LEU CG C 13 25.31 0.3 . 1 . . . . 108 LEU CG . 15253 1 1030 . 1 1 108 108 LEU N N 15 118.65 0.5 . 1 . . . . 108 LEU N . 15253 1 1031 . 1 1 109 109 PHE H H 1 7.99 0.01 . 1 . . . . 109 PHE H . 15253 1 1032 . 1 1 109 109 PHE HA H 1 5.18 0.01 . 1 . . . . 109 PHE HA . 15253 1 1033 . 1 1 109 109 PHE HB2 H 1 3.11 0.01 . 1 . . . . 109 PHE HB2 . 15253 1 1034 . 1 1 109 109 PHE HB3 H 1 3.11 0.01 . 1 . . . . 109 PHE HB3 . 15253 1 1035 . 1 1 109 109 PHE C C 13 176.99 0.3 . 1 . . . . 109 PHE C . 15253 1 1036 . 1 1 109 109 PHE CA C 13 61.04 0.3 . 1 . . . . 109 PHE CA . 15253 1 1037 . 1 1 109 109 PHE CB C 13 40.67 0.3 . 1 . . . . 109 PHE CB . 15253 1 1038 . 1 1 109 109 PHE N N 15 111.23 0.5 . 1 . . . . 109 PHE N . 15253 1 1039 . 1 1 110 110 GLN H H 1 8.1 0.01 . 1 . . . . 110 GLN H . 15253 1 1040 . 1 1 110 110 GLN HA H 1 4.15 0.01 . 1 . . . . 110 GLN HA . 15253 1 1041 . 1 1 110 110 GLN HB2 H 1 2.1 0.01 . 1 . . . . 110 GLN HB2 . 15253 1 1042 . 1 1 110 110 GLN HB3 H 1 2.1 0.01 . 1 . . . . 110 GLN HB3 . 15253 1 1043 . 1 1 110 110 GLN HG2 H 1 2.33 0.01 . 1 . . . . 110 GLN HG2 . 15253 1 1044 . 1 1 110 110 GLN HG3 H 1 2.33 0.01 . 1 . . . . 110 GLN HG3 . 15253 1 1045 . 1 1 110 110 GLN CA C 13 60.19 0.3 . 1 . . . . 110 GLN CA . 15253 1 1046 . 1 1 110 110 GLN CB C 13 24.39 0.3 . 1 . . . . 110 GLN CB . 15253 1 1047 . 1 1 110 110 GLN CG C 13 30.13 0.3 . 1 . . . . 110 GLN CG . 15253 1 1048 . 1 1 110 110 GLN N N 15 121.96 0.5 . 1 . . . . 110 GLN N . 15253 1 1049 . 1 1 111 111 PRO HA H 1 4.21 0.01 . 1 . . . . 111 PRO HA . 15253 1 1050 . 1 1 111 111 PRO HB2 H 1 1.93 0.01 . 1 . . . . 111 PRO HB2 . 15253 1 1051 . 1 1 111 111 PRO HB3 H 1 1.93 0.01 . 1 . . . . 111 PRO HB3 . 15253 1 1052 . 1 1 111 111 PRO HD2 H 1 3.34 0.01 . 1 . . . . 111 PRO HD2 . 15253 1 1053 . 1 1 111 111 PRO HD3 H 1 3.34 0.01 . 1 . . . . 111 PRO HD3 . 15253 1 1054 . 1 1 111 111 PRO HG2 H 1 1.97 0.01 . 1 . . . . 111 PRO HG2 . 15253 1 1055 . 1 1 111 111 PRO HG3 H 1 1.97 0.01 . 1 . . . . 111 PRO HG3 . 15253 1 1056 . 1 1 111 111 PRO C C 13 176.7 0.3 . 1 . . . . 111 PRO C . 15253 1 1057 . 1 1 111 111 PRO CA C 13 65.06 0.3 . 1 . . . . 111 PRO CA . 15253 1 1058 . 1 1 111 111 PRO CB C 13 30.93 0.3 . 1 . . . . 111 PRO CB . 15253 1 1059 . 1 1 111 111 PRO CD C 13 54.07 0.3 . 1 . . . . 111 PRO CD . 15253 1 1060 . 1 1 111 111 PRO CG C 13 26.4 0.3 . 1 . . . . 111 PRO CG . 15253 1 1061 . 1 1 112 112 HIS H H 1 8.26 0.01 . 1 . . . . 112 HIS H . 15253 1 1062 . 1 1 112 112 HIS HA H 1 4.64 0.01 . 1 . . . . 112 HIS HA . 15253 1 1063 . 1 1 112 112 HIS HB2 H 1 3.01 0.01 . 2 . . . . 112 HIS HB2 . 15253 1 1064 . 1 1 112 112 HIS HB3 H 1 3.34 0.01 . 2 . . . . 112 HIS HB3 . 15253 1 1065 . 1 1 112 112 HIS C C 13 175.56 0.3 . 1 . . . . 112 HIS C . 15253 1 1066 . 1 1 112 112 HIS CA C 13 55.12 0.3 . 1 . . . . 112 HIS CA . 15253 1 1067 . 1 1 112 112 HIS CB C 13 31.69 0.3 . 1 . . . . 112 HIS CB . 15253 1 1068 . 1 1 112 112 HIS N N 15 114.84 0.5 . 1 . . . . 112 HIS N . 15253 1 1069 . 1 1 113 113 LEU H H 1 7.39 0.01 . 1 . . . . 113 LEU H . 15253 1 1070 . 1 1 113 113 LEU HD11 H 1 0.97 0.01 . 1 . . . . 113 LEU HD1 . 15253 1 1071 . 1 1 113 113 LEU HD12 H 1 0.97 0.01 . 1 . . . . 113 LEU HD1 . 15253 1 1072 . 1 1 113 113 LEU HD13 H 1 0.97 0.01 . 1 . . . . 113 LEU HD1 . 15253 1 1073 . 1 1 113 113 LEU HD21 H 1 0.97 0.01 . 1 . . . . 113 LEU HD2 . 15253 1 1074 . 1 1 113 113 LEU HD22 H 1 0.97 0.01 . 1 . . . . 113 LEU HD2 . 15253 1 1075 . 1 1 113 113 LEU HD23 H 1 0.97 0.01 . 1 . . . . 113 LEU HD2 . 15253 1 1076 . 1 1 113 113 LEU C C 13 177.15 0.3 . 1 . . . . 113 LEU C . 15253 1 1077 . 1 1 113 113 LEU CA C 13 55.6 0.3 . 1 . . . . 113 LEU CA . 15253 1 1078 . 1 1 113 113 LEU CB C 13 43.7 0.3 . 1 . . . . 113 LEU CB . 15253 1 1079 . 1 1 113 113 LEU CG C 13 25.85 0.3 . 1 . . . . 113 LEU CG . 15253 1 1080 . 1 1 113 113 LEU N N 15 116.35 0.5 . 1 . . . . 113 LEU N . 15253 1 1081 . 1 1 114 114 ASP H H 1 9.63 0.01 . 1 . . . . 114 ASP H . 15253 1 1082 . 1 1 114 114 ASP HA H 1 4.93 0.01 . 1 . . . . 114 ASP HA . 15253 1 1083 . 1 1 114 114 ASP HB2 H 1 2.66 0.01 . 2 . . . . 114 ASP HB2 . 15253 1 1084 . 1 1 114 114 ASP HB3 H 1 2.99 0.01 . 2 . . . . 114 ASP HB3 . 15253 1 1085 . 1 1 114 114 ASP C C 13 176.38 0.3 . 1 . . . . 114 ASP C . 15253 1 1086 . 1 1 114 114 ASP CA C 13 56.17 0.3 . 1 . . . . 114 ASP CA . 15253 1 1087 . 1 1 114 114 ASP CB C 13 44.28 0.3 . 1 . . . . 114 ASP CB . 15253 1 1088 . 1 1 114 114 ASP N N 15 117.64 0.5 . 1 . . . . 114 ASP N . 15253 1 1089 . 1 1 115 115 ARG H H 1 8.13 0.01 . 1 . . . . 115 ARG H . 15253 1 1090 . 1 1 115 115 ARG HA H 1 4.8 0.01 . 1 . . . . 115 ARG HA . 15253 1 1091 . 1 1 115 115 ARG HB2 H 1 2.07 0.01 . 1 . . . . 115 ARG HB2 . 15253 1 1092 . 1 1 115 115 ARG HB3 H 1 2.07 0.01 . 1 . . . . 115 ARG HB3 . 15253 1 1093 . 1 1 115 115 ARG HD2 H 1 3.37 0.01 . 1 . . . . 115 ARG HD2 . 15253 1 1094 . 1 1 115 115 ARG HD3 H 1 3.37 0.01 . 1 . . . . 115 ARG HD3 . 15253 1 1095 . 1 1 115 115 ARG HG2 H 1 1.78 0.01 . 2 . . . . 115 ARG HG2 . 15253 1 1096 . 1 1 115 115 ARG HG3 H 1 1.87 0.01 . 2 . . . . 115 ARG HG3 . 15253 1 1097 . 1 1 115 115 ARG C C 13 174.1 0.3 . 1 . . . . 115 ARG C . 15253 1 1098 . 1 1 115 115 ARG CA C 13 55.11 0.3 . 1 . . . . 115 ARG CA . 15253 1 1099 . 1 1 115 115 ARG CB C 13 36.31 0.3 . 1 . . . . 115 ARG CB . 15253 1 1100 . 1 1 115 115 ARG CD C 13 43.14 0.3 . 1 . . . . 115 ARG CD . 15253 1 1101 . 1 1 115 115 ARG CG C 13 28.68 0.3 . 1 . . . . 115 ARG CG . 15253 1 1102 . 1 1 115 115 ARG N N 15 116.5 0.5 . 1 . . . . 115 ARG N . 15253 1 1103 . 1 1 116 116 MET H H 1 8.67 0.01 . 1 . . . . 116 MET H . 15253 1 1104 . 1 1 116 116 MET HA H 1 5.08 0.01 . 1 . . . . 116 MET HA . 15253 1 1105 . 1 1 116 116 MET HB2 H 1 2.08 0.01 . 2 . . . . 116 MET HB2 . 15253 1 1106 . 1 1 116 116 MET HB3 H 1 2.34 0.01 . 2 . . . . 116 MET HB3 . 15253 1 1107 . 1 1 116 116 MET HG2 H 1 2.65 0.01 . 1 . . . . 116 MET HG2 . 15253 1 1108 . 1 1 116 116 MET HG3 H 1 2.65 0.01 . 1 . . . . 116 MET HG3 . 15253 1 1109 . 1 1 116 116 MET C C 13 174.67 0.3 . 1 . . . . 116 MET C . 15253 1 1110 . 1 1 116 116 MET CA C 13 55.06 0.3 . 1 . . . . 116 MET CA . 15253 1 1111 . 1 1 116 116 MET CB C 13 36.78 0.3 . 1 . . . . 116 MET CB . 15253 1 1112 . 1 1 116 116 MET CE C 13 19.33 0.3 . 1 . . . . 116 MET CE . 15253 1 1113 . 1 1 116 116 MET CG C 13 30.36 0.3 . 1 . . . . 116 MET CG . 15253 1 1114 . 1 1 116 116 MET N N 15 118.66 0.5 . 1 . . . . 116 MET N . 15253 1 1115 . 1 1 117 117 VAL H H 1 9.27 0.01 . 1 . . . . 117 VAL H . 15253 1 1116 . 1 1 117 117 VAL HA H 1 4.82 0.01 . 1 . . . . 117 VAL HA . 15253 1 1117 . 1 1 117 117 VAL HB H 1 2.44 0.01 . 1 . . . . 117 VAL HB . 15253 1 1118 . 1 1 117 117 VAL HG11 H 1 0.91 0.01 . 1 . . . . 117 VAL HG1 . 15253 1 1119 . 1 1 117 117 VAL HG12 H 1 0.91 0.01 . 1 . . . . 117 VAL HG1 . 15253 1 1120 . 1 1 117 117 VAL HG13 H 1 0.91 0.01 . 1 . . . . 117 VAL HG1 . 15253 1 1121 . 1 1 117 117 VAL C C 13 175.09 0.3 . 1 . . . . 117 VAL C . 15253 1 1122 . 1 1 117 117 VAL CA C 13 62.13 0.3 . 1 . . . . 117 VAL CA . 15253 1 1123 . 1 1 117 117 VAL CB C 13 30.78 0.3 . 1 . . . . 117 VAL CB . 15253 1 1124 . 1 1 117 117 VAL CG1 C 13 21.88 0.3 . 1 . . . . 117 VAL CG1 . 15253 1 1125 . 1 1 117 117 VAL N N 15 126.02 0.5 . 1 . . . . 117 VAL N . 15253 1 1126 . 1 1 118 118 LEU H H 1 9.09 0.01 . 1 . . . . 118 LEU H . 15253 1 1127 . 1 1 118 118 LEU HA H 1 4.61 0.01 . 1 . . . . 118 LEU HA . 15253 1 1128 . 1 1 118 118 LEU HD11 H 1 0.91 0.01 . 2 . . . . 118 LEU HD1 . 15253 1 1129 . 1 1 118 118 LEU HD12 H 1 0.91 0.01 . 2 . . . . 118 LEU HD1 . 15253 1 1130 . 1 1 118 118 LEU HD13 H 1 0.91 0.01 . 2 . . . . 118 LEU HD1 . 15253 1 1131 . 1 1 118 118 LEU HD21 H 1 1.19 0.01 . 2 . . . . 118 LEU HD2 . 15253 1 1132 . 1 1 118 118 LEU HD22 H 1 1.19 0.01 . 2 . . . . 118 LEU HD2 . 15253 1 1133 . 1 1 118 118 LEU HD23 H 1 1.19 0.01 . 2 . . . . 118 LEU HD2 . 15253 1 1134 . 1 1 118 118 LEU C C 13 176.45 0.3 . 1 . . . . 118 LEU C . 15253 1 1135 . 1 1 118 118 LEU CA C 13 51.95 0.3 . 1 . . . . 118 LEU CA . 15253 1 1136 . 1 1 118 118 LEU CB C 13 43.92 0.3 . 1 . . . . 118 LEU CB . 15253 1 1137 . 1 1 118 118 LEU CG C 13 25.49 0.3 . 1 . . . . 118 LEU CG . 15253 1 1138 . 1 1 118 118 LEU N N 15 125.11 0.5 . 1 . . . . 118 LEU N . 15253 1 1139 . 1 1 119 119 SER H H 1 9.48 0.01 . 1 . . . . 119 SER H . 15253 1 1140 . 1 1 119 119 SER C C 13 172.74 0.3 . 1 . . . . 119 SER C . 15253 1 1141 . 1 1 119 119 SER CA C 13 57.23 0.3 . 1 . . . . 119 SER CA . 15253 1 1142 . 1 1 119 119 SER CB C 13 61.57 0.3 . 1 . . . . 119 SER CB . 15253 1 1143 . 1 1 119 119 SER N N 15 122.15 0.5 . 1 . . . . 119 SER N . 15253 1 1144 . 1 1 120 120 ARG H H 1 9.74 0.01 . 1 . . . . 120 ARG H . 15253 1 1145 . 1 1 120 120 ARG C C 13 175.67 0.3 . 1 . . . . 120 ARG C . 15253 1 1146 . 1 1 120 120 ARG CA C 13 52.08 0.3 . 1 . . . . 120 ARG CA . 15253 1 1147 . 1 1 120 120 ARG CD C 13 39.56 0.3 . 1 . . . . 120 ARG CD . 15253 1 1148 . 1 1 120 120 ARG CG C 13 26.1 0.3 . 1 . . . . 120 ARG CG . 15253 1 1149 . 1 1 120 120 ARG N N 15 124.07 0.5 . 1 . . . . 120 ARG N . 15253 1 1150 . 1 1 121 121 VAL H H 1 8.6 0.01 . 1 . . . . 121 VAL H . 15253 1 1151 . 1 1 121 121 VAL HA H 1 4.93 0.01 . 1 . . . . 121 VAL HA . 15253 1 1152 . 1 1 121 121 VAL HB H 1 2.07 0.01 . 1 . . . . 121 VAL HB . 15253 1 1153 . 1 1 121 121 VAL HG11 H 1 0.92 0.01 . 1 . . . . 121 VAL HG1 . 15253 1 1154 . 1 1 121 121 VAL HG12 H 1 0.92 0.01 . 1 . . . . 121 VAL HG1 . 15253 1 1155 . 1 1 121 121 VAL HG13 H 1 0.92 0.01 . 1 . . . . 121 VAL HG1 . 15253 1 1156 . 1 1 121 121 VAL CA C 13 59.59 0.3 . 1 . . . . 121 VAL CA . 15253 1 1157 . 1 1 121 121 VAL CB C 13 34.82 0.3 . 1 . . . . 121 VAL CB . 15253 1 1158 . 1 1 121 121 VAL CG1 C 13 19.94 0.3 . 1 . . . . 121 VAL CG1 . 15253 1 1159 . 1 1 121 121 VAL N N 15 131.64 0.5 . 1 . . . . 121 VAL N . 15253 1 1160 . 1 1 122 122 PRO HA H 1 4.53 0.01 . 1 . . . . 122 PRO HA . 15253 1 1161 . 1 1 122 122 PRO HB2 H 1 2.22 0.01 . 1 . . . . 122 PRO HB2 . 15253 1 1162 . 1 1 122 122 PRO HB3 H 1 2.22 0.01 . 1 . . . . 122 PRO HB3 . 15253 1 1163 . 1 1 122 122 PRO HD2 H 1 3.89 0.01 . 1 . . . . 122 PRO HD2 . 15253 1 1164 . 1 1 122 122 PRO HD3 H 1 3.89 0.01 . 1 . . . . 122 PRO HD3 . 15253 1 1165 . 1 1 122 122 PRO HG2 H 1 2.02 0.01 . 1 . . . . 122 PRO HG2 . 15253 1 1166 . 1 1 122 122 PRO HG3 H 1 2.02 0.01 . 1 . . . . 122 PRO HG3 . 15253 1 1167 . 1 1 122 122 PRO C C 13 177.02 0.3 . 1 . . . . 122 PRO C . 15253 1 1168 . 1 1 122 122 PRO CA C 13 62.84 0.3 . 1 . . . . 122 PRO CA . 15253 1 1169 . 1 1 122 122 PRO CB C 13 31.69 0.3 . 1 . . . . 122 PRO CB . 15253 1 1170 . 1 1 122 122 PRO CD C 13 51.38 0.3 . 1 . . . . 122 PRO CD . 15253 1 1171 . 1 1 122 122 PRO CG C 13 25.47 0.3 . 1 . . . . 122 PRO CG . 15253 1 1172 . 1 1 123 123 GLY H H 1 8.62 0.01 . 1 . . . . 123 GLY H . 15253 1 1173 . 1 1 123 123 GLY HA2 H 1 3.69 0.01 . 2 . . . . 123 GLY HA2 . 15253 1 1174 . 1 1 123 123 GLY HA3 H 1 4.28 0.01 . 2 . . . . 123 GLY HA3 . 15253 1 1175 . 1 1 123 123 GLY C C 13 172.09 0.3 . 1 . . . . 123 GLY C . 15253 1 1176 . 1 1 123 123 GLY CA C 13 43.78 0.3 . 1 . . . . 123 GLY CA . 15253 1 1177 . 1 1 123 123 GLY N N 15 109.11 0.5 . 1 . . . . 123 GLY N . 15253 1 1178 . 1 1 124 124 GLU H H 1 7.8 0.01 . 1 . . . . 124 GLU H . 15253 1 1179 . 1 1 124 124 GLU HA H 1 4.5 0.01 . 1 . . . . 124 GLU HA . 15253 1 1180 . 1 1 124 124 GLU HB2 H 1 1.8 0.01 . 1 . . . . 124 GLU HB2 . 15253 1 1181 . 1 1 124 124 GLU HB3 H 1 1.8 0.01 . 1 . . . . 124 GLU HB3 . 15253 1 1182 . 1 1 124 124 GLU HG2 H 1 2.26 0.01 . 1 . . . . 124 GLU HG2 . 15253 1 1183 . 1 1 124 124 GLU HG3 H 1 2.26 0.01 . 1 . . . . 124 GLU HG3 . 15253 1 1184 . 1 1 124 124 GLU CA C 13 55.03 0.3 . 1 . . . . 124 GLU CA . 15253 1 1185 . 1 1 124 124 GLU CB C 13 30.54 0.3 . 1 . . . . 124 GLU CB . 15253 1 1186 . 1 1 124 124 GLU CG C 13 36.37 0.3 . 1 . . . . 124 GLU CG . 15253 1 1187 . 1 1 124 124 GLU N N 15 117.55 0.5 . 1 . . . . 124 GLU N . 15253 1 1188 . 1 1 125 125 TYR HA H 1 3.69 0.01 . 1 . . . . 125 TYR HA . 15253 1 1189 . 1 1 125 125 TYR HB2 H 1 2.5 0.01 . 2 . . . . 125 TYR HB2 . 15253 1 1190 . 1 1 125 125 TYR HB3 H 1 3.08 0.01 . 2 . . . . 125 TYR HB3 . 15253 1 1191 . 1 1 125 125 TYR C C 13 175.05 0.3 . 1 . . . . 125 TYR C . 15253 1 1192 . 1 1 125 125 TYR CA C 13 60.89 0.3 . 1 . . . . 125 TYR CA . 15253 1 1193 . 1 1 125 125 TYR CB C 13 42.44 0.3 . 1 . . . . 125 TYR CB . 15253 1 1194 . 1 1 126 126 GLU H H 1 8.72 0.01 . 1 . . . . 126 GLU H . 15253 1 1195 . 1 1 126 126 GLU HA H 1 4.88 0.01 . 1 . . . . 126 GLU HA . 15253 1 1196 . 1 1 126 126 GLU HB2 H 1 2.06 0.01 . 1 . . . . 126 GLU HB2 . 15253 1 1197 . 1 1 126 126 GLU HB3 H 1 2.06 0.01 . 1 . . . . 126 GLU HB3 . 15253 1 1198 . 1 1 126 126 GLU HG2 H 1 2.34 0.01 . 1 . . . . 126 GLU HG2 . 15253 1 1199 . 1 1 126 126 GLU HG3 H 1 2.34 0.01 . 1 . . . . 126 GLU HG3 . 15253 1 1200 . 1 1 126 126 GLU C C 13 176.14 0.3 . 1 . . . . 126 GLU C . 15253 1 1201 . 1 1 126 126 GLU CA C 13 55.86 0.3 . 1 . . . . 126 GLU CA . 15253 1 1202 . 1 1 126 126 GLU CB C 13 29.86 0.3 . 1 . . . . 126 GLU CB . 15253 1 1203 . 1 1 126 126 GLU CG C 13 36.27 0.3 . 1 . . . . 126 GLU CG . 15253 1 1204 . 1 1 126 126 GLU N N 15 122.47 0.5 . 1 . . . . 126 GLU N . 15253 1 1205 . 1 1 127 127 GLY H H 1 8.14 0.01 . 1 . . . . 127 GLY H . 15253 1 1206 . 1 1 127 127 GLY HA2 H 1 4.04 0.01 . 1 . . . . 127 GLY HA2 . 15253 1 1207 . 1 1 127 127 GLY HA3 H 1 4.04 0.01 . 1 . . . . 127 GLY HA3 . 15253 1 1208 . 1 1 127 127 GLY C C 13 171.65 0.3 . 1 . . . . 127 GLY C . 15253 1 1209 . 1 1 127 127 GLY CA C 13 45.37 0.3 . 1 . . . . 127 GLY CA . 15253 1 1210 . 1 1 127 127 GLY N N 15 108.36 0.5 . 1 . . . . 127 GLY N . 15253 1 1211 . 1 1 128 128 ASP H H 1 8.55 0.01 . 1 . . . . 128 ASP H . 15253 1 1212 . 1 1 128 128 ASP HA H 1 3.99 0.01 . 1 . . . . 128 ASP HA . 15253 1 1213 . 1 1 128 128 ASP HB2 H 1 3.01 0.01 . 1 . . . . 128 ASP HB2 . 15253 1 1214 . 1 1 128 128 ASP HB3 H 1 3.01 0.01 . 1 . . . . 128 ASP HB3 . 15253 1 1215 . 1 1 128 128 ASP C C 13 175.74 0.3 . 1 . . . . 128 ASP C . 15253 1 1216 . 1 1 128 128 ASP CA C 13 53.27 0.3 . 1 . . . . 128 ASP CA . 15253 1 1217 . 1 1 128 128 ASP CB C 13 42.53 0.3 . 1 . . . . 128 ASP CB . 15253 1 1218 . 1 1 128 128 ASP N N 15 115.58 0.5 . 1 . . . . 128 ASP N . 15253 1 1219 . 1 1 129 129 THR H H 1 7.54 0.01 . 1 . . . . 129 THR H . 15253 1 1220 . 1 1 129 129 THR HA H 1 5.09 0.01 . 1 . . . . 129 THR HA . 15253 1 1221 . 1 1 129 129 THR HB H 1 3.98 0.01 . 1 . . . . 129 THR HB . 15253 1 1222 . 1 1 129 129 THR HG21 H 1 1.24 0.01 . 1 . . . . 129 THR HG2 . 15253 1 1223 . 1 1 129 129 THR HG22 H 1 1.24 0.01 . 1 . . . . 129 THR HG2 . 15253 1 1224 . 1 1 129 129 THR HG23 H 1 1.24 0.01 . 1 . . . . 129 THR HG2 . 15253 1 1225 . 1 1 129 129 THR C C 13 173.53 0.3 . 1 . . . . 129 THR C . 15253 1 1226 . 1 1 129 129 THR CA C 13 60.37 0.3 . 1 . . . . 129 THR CA . 15253 1 1227 . 1 1 129 129 THR CB C 13 71.39 0.3 . 1 . . . . 129 THR CB . 15253 1 1228 . 1 1 129 129 THR CG2 C 13 21.79 0.3 . 1 . . . . 129 THR CG2 . 15253 1 1229 . 1 1 129 129 THR N N 15 113.09 0.5 . 1 . . . . 129 THR N . 15253 1 1230 . 1 1 130 130 TYR H H 1 8.7 0.01 . 1 . . . . 130 TYR H . 15253 1 1231 . 1 1 130 130 TYR HA H 1 4.79 0.01 . 1 . . . . 130 TYR HA . 15253 1 1232 . 1 1 130 130 TYR HB2 H 1 2.59 0.01 . 2 . . . . 130 TYR HB2 . 15253 1 1233 . 1 1 130 130 TYR HB3 H 1 2.91 0.01 . 2 . . . . 130 TYR HB3 . 15253 1 1234 . 1 1 130 130 TYR C C 13 174.87 0.3 . 1 . . . . 130 TYR C . 15253 1 1235 . 1 1 130 130 TYR CA C 13 57.05 0.3 . 1 . . . . 130 TYR CA . 15253 1 1236 . 1 1 130 130 TYR CB C 13 41.84 0.3 . 1 . . . . 130 TYR CB . 15253 1 1237 . 1 1 130 130 TYR N N 15 122.46 0.5 . 1 . . . . 130 TYR N . 15253 1 1238 . 1 1 131 131 TYR H H 1 8.91 0.01 . 1 . . . . 131 TYR H . 15253 1 1239 . 1 1 131 131 TYR HA H 1 4.6 0.01 . 1 . . . . 131 TYR HA . 15253 1 1240 . 1 1 131 131 TYR HB2 H 1 2.81 0.01 . 1 . . . . 131 TYR HB2 . 15253 1 1241 . 1 1 131 131 TYR HB3 H 1 2.81 0.01 . 1 . . . . 131 TYR HB3 . 15253 1 1242 . 1 1 131 131 TYR CA C 13 57.16 0.3 . 1 . . . . 131 TYR CA . 15253 1 1243 . 1 1 131 131 TYR CB C 13 40.09 0.3 . 1 . . . . 131 TYR CB . 15253 1 1244 . 1 1 131 131 TYR N N 15 124.84 0.5 . 1 . . . . 131 TYR N . 15253 1 1245 . 1 1 132 132 PRO HA H 1 4.9 0.01 . 1 . . . . 132 PRO HA . 15253 1 1246 . 1 1 132 132 PRO HB2 H 1 1.99 0.01 . 1 . . . . 132 PRO HB2 . 15253 1 1247 . 1 1 132 132 PRO HB3 H 1 1.99 0.01 . 1 . . . . 132 PRO HB3 . 15253 1 1248 . 1 1 132 132 PRO HD2 H 1 4.35 0.01 . 1 . . . . 132 PRO HD2 . 15253 1 1249 . 1 1 132 132 PRO HD3 H 1 4.35 0.01 . 1 . . . . 132 PRO HD3 . 15253 1 1250 . 1 1 132 132 PRO HG2 H 1 1.62 0.01 . 1 . . . . 132 PRO HG2 . 15253 1 1251 . 1 1 132 132 PRO HG3 H 1 1.62 0.01 . 1 . . . . 132 PRO HG3 . 15253 1 1252 . 1 1 132 132 PRO C C 13 174.12 0.3 . 1 . . . . 132 PRO C . 15253 1 1253 . 1 1 132 132 PRO CA C 13 62.78 0.3 . 1 . . . . 132 PRO CA . 15253 1 1254 . 1 1 132 132 PRO CB C 13 31.64 0.3 . 1 . . . . 132 PRO CB . 15253 1 1255 . 1 1 132 132 PRO CD C 13 50.45 0.3 . 1 . . . . 132 PRO CD . 15253 1 1256 . 1 1 132 132 PRO CG C 13 28.84 0.3 . 1 . . . . 132 PRO CG . 15253 1 1257 . 1 1 133 133 GLU H H 1 7.87 0.01 . 1 . . . . 133 GLU H . 15253 1 1258 . 1 1 133 133 GLU HA H 1 3.76 0.01 . 1 . . . . 133 GLU HA . 15253 1 1259 . 1 1 133 133 GLU HB2 H 1 1.66 0.01 . 1 . . . . 133 GLU HB2 . 15253 1 1260 . 1 1 133 133 GLU HB3 H 1 1.66 0.01 . 1 . . . . 133 GLU HB3 . 15253 1 1261 . 1 1 133 133 GLU HG2 H 1 1.95 0.01 . 1 . . . . 133 GLU HG2 . 15253 1 1262 . 1 1 133 133 GLU HG3 H 1 1.95 0.01 . 1 . . . . 133 GLU HG3 . 15253 1 1263 . 1 1 133 133 GLU C C 13 175.61 0.3 . 1 . . . . 133 GLU C . 15253 1 1264 . 1 1 133 133 GLU CA C 13 56.57 0.3 . 1 . . . . 133 GLU CA . 15253 1 1265 . 1 1 133 133 GLU CB C 13 29.84 0.3 . 1 . . . . 133 GLU CB . 15253 1 1266 . 1 1 133 133 GLU CG C 13 36.24 0.3 . 1 . . . . 133 GLU CG . 15253 1 1267 . 1 1 133 133 GLU N N 15 118.59 0.5 . 1 . . . . 133 GLU N . 15253 1 1268 . 1 1 134 134 TRP H H 1 7.14 0.01 . 1 . . . . 134 TRP H . 15253 1 1269 . 1 1 134 134 TRP HA H 1 4.13 0.01 . 1 . . . . 134 TRP HA . 15253 1 1270 . 1 1 134 134 TRP HB2 H 1 2.71 0.01 . 2 . . . . 134 TRP HB2 . 15253 1 1271 . 1 1 134 134 TRP HB3 H 1 2.85 0.01 . 2 . . . . 134 TRP HB3 . 15253 1 1272 . 1 1 134 134 TRP C C 13 174.33 0.3 . 1 . . . . 134 TRP C . 15253 1 1273 . 1 1 134 134 TRP CA C 13 55.42 0.3 . 1 . . . . 134 TRP CA . 15253 1 1274 . 1 1 134 134 TRP CB C 13 30.28 0.3 . 1 . . . . 134 TRP CB . 15253 1 1275 . 1 1 134 134 TRP N N 15 121.54 0.5 . 1 . . . . 134 TRP N . 15253 1 1276 . 1 1 135 135 ASP H H 1 8.96 0.01 . 1 . . . . 135 ASP H . 15253 1 1277 . 1 1 135 135 ASP HA H 1 4.51 0.01 . 1 . . . . 135 ASP HA . 15253 1 1278 . 1 1 135 135 ASP HB2 H 1 2.7 0.01 . 2 . . . . 135 ASP HB2 . 15253 1 1279 . 1 1 135 135 ASP HB3 H 1 3.06 0.01 . 2 . . . . 135 ASP HB3 . 15253 1 1280 . 1 1 135 135 ASP C C 13 177.61 0.3 . 1 . . . . 135 ASP C . 15253 1 1281 . 1 1 135 135 ASP CA C 13 53.36 0.3 . 1 . . . . 135 ASP CA . 15253 1 1282 . 1 1 135 135 ASP CB C 13 41.71 0.3 . 1 . . . . 135 ASP CB . 15253 1 1283 . 1 1 135 135 ASP N N 15 122.52 0.5 . 1 . . . . 135 ASP N . 15253 1 1284 . 1 1 136 136 ALA H H 1 8.8 0.01 . 1 . . . . 136 ALA H . 15253 1 1285 . 1 1 136 136 ALA HA H 1 4.36 0.01 . 1 . . . . 136 ALA HA . 15253 1 1286 . 1 1 136 136 ALA HB1 H 1 1.62 0.01 . 1 . . . . 136 ALA HB . 15253 1 1287 . 1 1 136 136 ALA HB2 H 1 1.62 0.01 . 1 . . . . 136 ALA HB . 15253 1 1288 . 1 1 136 136 ALA HB3 H 1 1.62 0.01 . 1 . . . . 136 ALA HB . 15253 1 1289 . 1 1 136 136 ALA C C 13 178.54 0.3 . 1 . . . . 136 ALA C . 15253 1 1290 . 1 1 136 136 ALA CA C 13 54.68 0.3 . 1 . . . . 136 ALA CA . 15253 1 1291 . 1 1 136 136 ALA CB C 13 18.66 0.3 . 1 . . . . 136 ALA CB . 15253 1 1292 . 1 1 136 136 ALA N N 15 130.25 0.5 . 1 . . . . 136 ALA N . 15253 1 1293 . 1 1 137 137 ALA H H 1 8.6 0.01 . 1 . . . . 137 ALA H . 15253 1 1294 . 1 1 137 137 ALA HA H 1 4.42 0.01 . 1 . . . . 137 ALA HA . 15253 1 1295 . 1 1 137 137 ALA HB1 H 1 1.54 0.01 . 1 . . . . 137 ALA HB . 15253 1 1296 . 1 1 137 137 ALA HB2 H 1 1.54 0.01 . 1 . . . . 137 ALA HB . 15253 1 1297 . 1 1 137 137 ALA HB3 H 1 1.54 0.01 . 1 . . . . 137 ALA HB . 15253 1 1298 . 1 1 137 137 ALA C C 13 179.46 0.3 . 1 . . . . 137 ALA C . 15253 1 1299 . 1 1 137 137 ALA CA C 13 53.6 0.3 . 1 . . . . 137 ALA CA . 15253 1 1300 . 1 1 137 137 ALA CB C 13 18.93 0.3 . 1 . . . . 137 ALA CB . 15253 1 1301 . 1 1 137 137 ALA N N 15 117.5 0.5 . 1 . . . . 137 ALA N . 15253 1 1302 . 1 1 138 138 GLU H H 1 7.92 0.01 . 1 . . . . 138 GLU H . 15253 1 1303 . 1 1 138 138 GLU HA H 1 4.49 0.01 . 1 . . . . 138 GLU HA . 15253 1 1304 . 1 1 138 138 GLU HB2 H 1 2.11 0.01 . 1 . . . . 138 GLU HB2 . 15253 1 1305 . 1 1 138 138 GLU HB3 H 1 2.11 0.01 . 1 . . . . 138 GLU HB3 . 15253 1 1306 . 1 1 138 138 GLU HG2 H 1 2.32 0.01 . 1 . . . . 138 GLU HG2 . 15253 1 1307 . 1 1 138 138 GLU HG3 H 1 2.32 0.01 . 1 . . . . 138 GLU HG3 . 15253 1 1308 . 1 1 138 138 GLU C C 13 175.28 0.3 . 1 . . . . 138 GLU C . 15253 1 1309 . 1 1 138 138 GLU CA C 13 55.8 0.3 . 1 . . . . 138 GLU CA . 15253 1 1310 . 1 1 138 138 GLU CB C 13 31.48 0.3 . 1 . . . . 138 GLU CB . 15253 1 1311 . 1 1 138 138 GLU CG C 13 36.17 0.3 . 1 . . . . 138 GLU CG . 15253 1 1312 . 1 1 138 138 GLU N N 15 114.7 0.5 . 1 . . . . 138 GLU N . 15253 1 1313 . 1 1 139 139 TRP H H 1 7.43 0.01 . 1 . . . . 139 TRP H . 15253 1 1314 . 1 1 139 139 TRP HA H 1 5.17 0.01 . 1 . . . . 139 TRP HA . 15253 1 1315 . 1 1 139 139 TRP HB2 H 1 2.84 0.01 . 2 . . . . 139 TRP HB2 . 15253 1 1316 . 1 1 139 139 TRP HB3 H 1 3.37 0.01 . 2 . . . . 139 TRP HB3 . 15253 1 1317 . 1 1 139 139 TRP C C 13 174.58 0.3 . 1 . . . . 139 TRP C . 15253 1 1318 . 1 1 139 139 TRP CA C 13 56.49 0.3 . 1 . . . . 139 TRP CA . 15253 1 1319 . 1 1 139 139 TRP CB C 13 34.38 0.3 . 1 . . . . 139 TRP CB . 15253 1 1320 . 1 1 139 139 TRP N N 15 119 0.5 . 1 . . . . 139 TRP N . 15253 1 1321 . 1 1 140 140 GLU H H 1 9.64 0.01 . 1 . . . . 140 GLU H . 15253 1 1322 . 1 1 140 140 GLU HA H 1 5.07 0.01 . 1 . . . . 140 GLU HA . 15253 1 1323 . 1 1 140 140 GLU HB2 H 1 2.03 0.01 . 1 . . . . 140 GLU HB2 . 15253 1 1324 . 1 1 140 140 GLU HB3 H 1 2.03 0.01 . 1 . . . . 140 GLU HB3 . 15253 1 1325 . 1 1 140 140 GLU HG2 H 1 2.22 0.01 . 1 . . . . 140 GLU HG2 . 15253 1 1326 . 1 1 140 140 GLU HG3 H 1 2.22 0.01 . 1 . . . . 140 GLU HG3 . 15253 1 1327 . 1 1 140 140 GLU C C 13 174.94 0.3 . 1 . . . . 140 GLU C . 15253 1 1328 . 1 1 140 140 GLU CA C 13 54.01 0.3 . 1 . . . . 140 GLU CA . 15253 1 1329 . 1 1 140 140 GLU CB C 13 32.74 0.3 . 1 . . . . 140 GLU CB . 15253 1 1330 . 1 1 140 140 GLU CG C 13 35.79 0.3 . 1 . . . . 140 GLU CG . 15253 1 1331 . 1 1 140 140 GLU N N 15 119.93 0.5 . 1 . . . . 140 GLU N . 15253 1 1332 . 1 1 141 141 LEU H H 1 8.63 0.01 . 1 . . . . 141 LEU H . 15253 1 1333 . 1 1 141 141 LEU HA H 1 4.8 0.01 . 1 . . . . 141 LEU HA . 15253 1 1334 . 1 1 141 141 LEU HB2 H 1 2.24 0.01 . 1 . . . . 141 LEU HB2 . 15253 1 1335 . 1 1 141 141 LEU HB3 H 1 2.24 0.01 . 1 . . . . 141 LEU HB3 . 15253 1 1336 . 1 1 141 141 LEU HD11 H 1 0.66 0.01 . 2 . . . . 141 LEU HD1 . 15253 1 1337 . 1 1 141 141 LEU HD12 H 1 0.66 0.01 . 2 . . . . 141 LEU HD1 . 15253 1 1338 . 1 1 141 141 LEU HD13 H 1 0.66 0.01 . 2 . . . . 141 LEU HD1 . 15253 1 1339 . 1 1 141 141 LEU HD21 H 1 0.12 0.01 . 2 . . . . 141 LEU HD2 . 15253 1 1340 . 1 1 141 141 LEU HD22 H 1 0.12 0.01 . 2 . . . . 141 LEU HD2 . 15253 1 1341 . 1 1 141 141 LEU HD23 H 1 0.12 0.01 . 2 . . . . 141 LEU HD2 . 15253 1 1342 . 1 1 141 141 LEU HG H 1 1.38 0.01 . 1 . . . . 141 LEU HG . 15253 1 1343 . 1 1 141 141 LEU C C 13 175.31 0.3 . 1 . . . . 141 LEU C . 15253 1 1344 . 1 1 141 141 LEU CA C 13 54.08 0.3 . 1 . . . . 141 LEU CA . 15253 1 1345 . 1 1 141 141 LEU CB C 13 39.72 0.3 . 1 . . . . 141 LEU CB . 15253 1 1346 . 1 1 141 141 LEU CD1 C 13 23.93 0.3 . 2 . . . . 141 LEU CD1 . 15253 1 1347 . 1 1 141 141 LEU CD2 C 13 22.44 0.3 . 2 . . . . 141 LEU CD2 . 15253 1 1348 . 1 1 141 141 LEU CG C 13 25.49 0.3 . 1 . . . . 141 LEU CG . 15253 1 1349 . 1 1 141 141 LEU N N 15 127.96 0.5 . 1 . . . . 141 LEU N . 15253 1 1350 . 1 1 142 142 ASP H H 1 9.13 0.01 . 1 . . . . 142 ASP H . 15253 1 1351 . 1 1 142 142 ASP HA H 1 4.03 0.01 . 1 . . . . 142 ASP HA . 15253 1 1352 . 1 1 142 142 ASP HB2 H 1 2.47 0.01 . 1 . . . . 142 ASP HB2 . 15253 1 1353 . 1 1 142 142 ASP HB3 H 1 2.47 0.01 . 1 . . . . 142 ASP HB3 . 15253 1 1354 . 1 1 142 142 ASP C C 13 175.89 0.3 . 1 . . . . 142 ASP C . 15253 1 1355 . 1 1 142 142 ASP CA C 13 55.4 0.3 . 1 . . . . 142 ASP CA . 15253 1 1356 . 1 1 142 142 ASP CB C 13 44.36 0.3 . 1 . . . . 142 ASP CB . 15253 1 1357 . 1 1 142 142 ASP N N 15 131.59 0.5 . 1 . . . . 142 ASP N . 15253 1 1358 . 1 1 143 143 ALA H H 1 7.53 0.01 . 1 . . . . 143 ALA H . 15253 1 1359 . 1 1 143 143 ALA HA H 1 4.49 0.01 . 1 . . . . 143 ALA HA . 15253 1 1360 . 1 1 143 143 ALA HB1 H 1 1.32 0.01 . 1 . . . . 143 ALA HB . 15253 1 1361 . 1 1 143 143 ALA HB2 H 1 1.32 0.01 . 1 . . . . 143 ALA HB . 15253 1 1362 . 1 1 143 143 ALA HB3 H 1 1.32 0.01 . 1 . . . . 143 ALA HB . 15253 1 1363 . 1 1 143 143 ALA C C 13 174.84 0.3 . 1 . . . . 143 ALA C . 15253 1 1364 . 1 1 143 143 ALA CA C 13 52.01 0.3 . 1 . . . . 143 ALA CA . 15253 1 1365 . 1 1 143 143 ALA CB C 13 22.19 0.3 . 1 . . . . 143 ALA CB . 15253 1 1366 . 1 1 143 143 ALA N N 15 116.83 0.5 . 1 . . . . 143 ALA N . 15253 1 1367 . 1 1 144 144 GLU H H 1 8.26 0.01 . 1 . . . . 144 GLU H . 15253 1 1368 . 1 1 144 144 GLU HA H 1 5.3 0.01 . 1 . . . . 144 GLU HA . 15253 1 1369 . 1 1 144 144 GLU HB2 H 1 2.24 0.01 . 1 . . . . 144 GLU HB2 . 15253 1 1370 . 1 1 144 144 GLU HB3 H 1 2.24 0.01 . 1 . . . . 144 GLU HB3 . 15253 1 1371 . 1 1 144 144 GLU HG2 H 1 1.98 0.01 . 1 . . . . 144 GLU HG2 . 15253 1 1372 . 1 1 144 144 GLU HG3 H 1 1.98 0.01 . 1 . . . . 144 GLU HG3 . 15253 1 1373 . 1 1 144 144 GLU C C 13 175.15 0.3 . 1 . . . . 144 GLU C . 15253 1 1374 . 1 1 144 144 GLU CA C 13 55.18 0.3 . 1 . . . . 144 GLU CA . 15253 1 1375 . 1 1 144 144 GLU CB C 13 33.09 0.3 . 1 . . . . 144 GLU CB . 15253 1 1376 . 1 1 144 144 GLU CG C 13 37.9 0.3 . 1 . . . . 144 GLU CG . 15253 1 1377 . 1 1 144 144 GLU N N 15 120.7 0.5 . 1 . . . . 144 GLU N . 15253 1 1378 . 1 1 145 145 THR H H 1 8.87 0.01 . 1 . . . . 145 THR H . 15253 1 1379 . 1 1 145 145 THR HA H 1 5.14 0.01 . 1 . . . . 145 THR HA . 15253 1 1380 . 1 1 145 145 THR HB H 1 3.93 0.01 . 1 . . . . 145 THR HB . 15253 1 1381 . 1 1 145 145 THR HG21 H 1 1.18 0.01 . 1 . . . . 145 THR HG2 . 15253 1 1382 . 1 1 145 145 THR HG22 H 1 1.18 0.01 . 1 . . . . 145 THR HG2 . 15253 1 1383 . 1 1 145 145 THR HG23 H 1 1.18 0.01 . 1 . . . . 145 THR HG2 . 15253 1 1384 . 1 1 145 145 THR C C 13 173.33 0.3 . 1 . . . . 145 THR C . 15253 1 1385 . 1 1 145 145 THR CA C 13 60.87 0.3 . 1 . . . . 145 THR CA . 15253 1 1386 . 1 1 145 145 THR CB C 13 71.41 0.3 . 1 . . . . 145 THR CB . 15253 1 1387 . 1 1 145 145 THR CG2 C 13 18.06 0.3 . 1 . . . . 145 THR CG2 . 15253 1 1388 . 1 1 145 145 THR N N 15 119.8 0.5 . 1 . . . . 145 THR N . 15253 1 1389 . 1 1 146 146 ASP H H 1 8.77 0.01 . 1 . . . . 146 ASP H . 15253 1 1390 . 1 1 146 146 ASP HA H 1 4.77 0.01 . 1 . . . . 146 ASP HA . 15253 1 1391 . 1 1 146 146 ASP HB2 H 1 2.83 0.01 . 2 . . . . 146 ASP HB2 . 15253 1 1392 . 1 1 146 146 ASP HB3 H 1 2.85 0.01 . 2 . . . . 146 ASP HB3 . 15253 1 1393 . 1 1 146 146 ASP C C 13 174.48 0.3 . 1 . . . . 146 ASP C . 15253 1 1394 . 1 1 146 146 ASP CA C 13 55 0.3 . 1 . . . . 146 ASP CA . 15253 1 1395 . 1 1 146 146 ASP CB C 13 41.17 0.3 . 1 . . . . 146 ASP CB . 15253 1 1396 . 1 1 146 146 ASP N N 15 126.35 0.5 . 1 . . . . 146 ASP N . 15253 1 1397 . 1 1 147 147 HIS H H 1 7.95 0.01 . 1 . . . . 147 HIS H . 15253 1 1398 . 1 1 147 147 HIS HA H 1 4.59 0.01 . 1 . . . . 147 HIS HA . 15253 1 1399 . 1 1 147 147 HIS HB2 H 1 3.75 0.01 . 1 . . . . 147 HIS HB2 . 15253 1 1400 . 1 1 147 147 HIS HB3 H 1 3.75 0.01 . 1 . . . . 147 HIS HB3 . 15253 1 1401 . 1 1 147 147 HIS C C 13 177.52 0.3 . 1 . . . . 147 HIS C . 15253 1 1402 . 1 1 147 147 HIS CA C 13 54.62 0.3 . 1 . . . . 147 HIS CA . 15253 1 1403 . 1 1 147 147 HIS CB C 13 32.63 0.3 . 1 . . . . 147 HIS CB . 15253 1 1404 . 1 1 147 147 HIS N N 15 123.12 0.5 . 1 . . . . 147 HIS N . 15253 1 1405 . 1 1 148 148 GLU H H 1 8.59 0.01 . 1 . . . . 148 GLU H . 15253 1 1406 . 1 1 148 148 GLU HA H 1 4.24 0.01 . 1 . . . . 148 GLU HA . 15253 1 1407 . 1 1 148 148 GLU HB2 H 1 2.09 0.01 . 1 . . . . 148 GLU HB2 . 15253 1 1408 . 1 1 148 148 GLU HB3 H 1 2.09 0.01 . 1 . . . . 148 GLU HB3 . 15253 1 1409 . 1 1 148 148 GLU HG2 H 1 2.28 0.01 . 2 . . . . 148 GLU HG2 . 15253 1 1410 . 1 1 148 148 GLU HG3 H 1 2.33 0.01 . 2 . . . . 148 GLU HG3 . 15253 1 1411 . 1 1 148 148 GLU C C 13 176.16 0.3 . 1 . . . . 148 GLU C . 15253 1 1412 . 1 1 148 148 GLU CA C 13 57.72 0.3 . 1 . . . . 148 GLU CA . 15253 1 1413 . 1 1 148 148 GLU CB C 13 27.82 0.3 . 1 . . . . 148 GLU CB . 15253 1 1414 . 1 1 148 148 GLU CG C 13 36.04 0.3 . 1 . . . . 148 GLU CG . 15253 1 1415 . 1 1 148 148 GLU N N 15 122.9 0.5 . 1 . . . . 148 GLU N . 15253 1 1416 . 1 1 149 149 GLY H H 1 8.55 0.01 . 1 . . . . 149 GLY H . 15253 1 1417 . 1 1 149 149 GLY HA2 H 1 3.88 0.01 . 2 . . . . 149 GLY HA2 . 15253 1 1418 . 1 1 149 149 GLY HA3 H 1 4.33 0.01 . 2 . . . . 149 GLY HA3 . 15253 1 1419 . 1 1 149 149 GLY C C 13 172.97 0.3 . 1 . . . . 149 GLY C . 15253 1 1420 . 1 1 149 149 GLY CA C 13 44.98 0.3 . 1 . . . . 149 GLY CA . 15253 1 1421 . 1 1 149 149 GLY N N 15 114.32 0.5 . 1 . . . . 149 GLY N . 15253 1 1422 . 1 1 150 150 PHE H H 1 7.16 0.01 . 1 . . . . 150 PHE H . 15253 1 1423 . 1 1 150 150 PHE HA H 1 5.05 0.01 . 1 . . . . 150 PHE HA . 15253 1 1424 . 1 1 150 150 PHE HB2 H 1 2.46 0.01 . 2 . . . . 150 PHE HB2 . 15253 1 1425 . 1 1 150 150 PHE HB3 H 1 3.4 0.01 . 2 . . . . 150 PHE HB3 . 15253 1 1426 . 1 1 150 150 PHE C C 13 172.46 0.3 . 1 . . . . 150 PHE C . 15253 1 1427 . 1 1 150 150 PHE CA C 13 56.34 0.3 . 1 . . . . 150 PHE CA . 15253 1 1428 . 1 1 150 150 PHE CB C 13 38.66 0.3 . 1 . . . . 150 PHE CB . 15253 1 1429 . 1 1 150 150 PHE N N 15 111.18 0.5 . 1 . . . . 150 PHE N . 15253 1 1430 . 1 1 151 151 THR H H 1 8.36 0.01 . 1 . . . . 151 THR H . 15253 1 1431 . 1 1 151 151 THR HA H 1 4.73 0.01 . 1 . . . . 151 THR HA . 15253 1 1432 . 1 1 151 151 THR HB H 1 3.91 0.01 . 1 . . . . 151 THR HB . 15253 1 1433 . 1 1 151 151 THR HG21 H 1 1.13 0.01 . 1 . . . . 151 THR HG2 . 15253 1 1434 . 1 1 151 151 THR HG22 H 1 1.13 0.01 . 1 . . . . 151 THR HG2 . 15253 1 1435 . 1 1 151 151 THR HG23 H 1 1.13 0.01 . 1 . . . . 151 THR HG2 . 15253 1 1436 . 1 1 151 151 THR C C 13 172.88 0.3 . 1 . . . . 151 THR C . 15253 1 1437 . 1 1 151 151 THR CA C 13 61.58 0.3 . 1 . . . . 151 THR CA . 15253 1 1438 . 1 1 151 151 THR CB C 13 71.21 0.3 . 1 . . . . 151 THR CB . 15253 1 1439 . 1 1 151 151 THR CG2 C 13 17.09 0.3 . 1 . . . . 151 THR CG2 . 15253 1 1440 . 1 1 151 151 THR N N 15 116.02 0.5 . 1 . . . . 151 THR N . 15253 1 1441 . 1 1 152 152 LEU H H 1 9.32 0.01 . 1 . . . . 152 LEU H . 15253 1 1442 . 1 1 152 152 LEU HA H 1 5.08 0.01 . 1 . . . . 152 LEU HA . 15253 1 1443 . 1 1 152 152 LEU HB2 H 1 1.81 0.01 . 2 . . . . 152 LEU HB2 . 15253 1 1444 . 1 1 152 152 LEU HB3 H 1 2.2 0.01 . 2 . . . . 152 LEU HB3 . 15253 1 1445 . 1 1 152 152 LEU HD11 H 1 0.89 0.01 . 1 . . . . 152 LEU HD1 . 15253 1 1446 . 1 1 152 152 LEU HD12 H 1 0.89 0.01 . 1 . . . . 152 LEU HD1 . 15253 1 1447 . 1 1 152 152 LEU HD13 H 1 0.89 0.01 . 1 . . . . 152 LEU HD1 . 15253 1 1448 . 1 1 152 152 LEU HG H 1 1.76 0.01 . 1 . . . . 152 LEU HG . 15253 1 1449 . 1 1 152 152 LEU C C 13 175.77 0.3 . 1 . . . . 152 LEU C . 15253 1 1450 . 1 1 152 152 LEU CA C 13 53.91 0.3 . 1 . . . . 152 LEU CA . 15253 1 1451 . 1 1 152 152 LEU CB C 13 43.7 0.3 . 1 . . . . 152 LEU CB . 15253 1 1452 . 1 1 152 152 LEU CD1 C 13 20.8 0.3 . 1 . . . . 152 LEU CD1 . 15253 1 1453 . 1 1 152 152 LEU CG C 13 21.72 0.3 . 1 . . . . 152 LEU CG . 15253 1 1454 . 1 1 152 152 LEU N N 15 130.53 0.5 . 1 . . . . 152 LEU N . 15253 1 1455 . 1 1 153 153 GLN H H 1 9.78 0.01 . 1 . . . . 153 GLN H . 15253 1 1456 . 1 1 153 153 GLN HA H 1 5.08 0.01 . 1 . . . . 153 GLN HA . 15253 1 1457 . 1 1 153 153 GLN HB2 H 1 2.01 0.01 . 1 . . . . 153 GLN HB2 . 15253 1 1458 . 1 1 153 153 GLN HB3 H 1 2.01 0.01 . 1 . . . . 153 GLN HB3 . 15253 1 1459 . 1 1 153 153 GLN HG2 H 1 2.26 0.01 . 1 . . . . 153 GLN HG2 . 15253 1 1460 . 1 1 153 153 GLN HG3 H 1 2.26 0.01 . 1 . . . . 153 GLN HG3 . 15253 1 1461 . 1 1 153 153 GLN C C 13 174.24 0.3 . 1 . . . . 153 GLN C . 15253 1 1462 . 1 1 153 153 GLN CA C 13 54.05 0.3 . 1 . . . . 153 GLN CA . 15253 1 1463 . 1 1 153 153 GLN CB C 13 31.46 0.3 . 1 . . . . 153 GLN CB . 15253 1 1464 . 1 1 153 153 GLN CG C 13 33.85 0.3 . 1 . . . . 153 GLN CG . 15253 1 1465 . 1 1 153 153 GLN N N 15 126.66 0.5 . 1 . . . . 153 GLN N . 15253 1 1466 . 1 1 154 154 GLU H H 1 8.69 0.01 . 1 . . . . 154 GLU H . 15253 1 1467 . 1 1 154 154 GLU HA H 1 5.27 0.01 . 1 . . . . 154 GLU HA . 15253 1 1468 . 1 1 154 154 GLU HG2 H 1 2.16 0.01 . 1 . . . . 154 GLU HG2 . 15253 1 1469 . 1 1 154 154 GLU HG3 H 1 2.16 0.01 . 1 . . . . 154 GLU HG3 . 15253 1 1470 . 1 1 154 154 GLU C C 13 174.67 0.3 . 1 . . . . 154 GLU C . 15253 1 1471 . 1 1 154 154 GLU CA C 13 55.03 0.3 . 1 . . . . 154 GLU CA . 15253 1 1472 . 1 1 154 154 GLU CB C 13 30.83 0.3 . 1 . . . . 154 GLU CB . 15253 1 1473 . 1 1 154 154 GLU CG C 13 36.75 0.3 . 1 . . . . 154 GLU CG . 15253 1 1474 . 1 1 154 154 GLU N N 15 121.61 0.5 . 1 . . . . 154 GLU N . 15253 1 1475 . 1 1 155 155 TRP H H 1 9.64 0.01 . 1 . . . . 155 TRP H . 15253 1 1476 . 1 1 155 155 TRP HA H 1 5.39 0.01 . 1 . . . . 155 TRP HA . 15253 1 1477 . 1 1 155 155 TRP HB2 H 1 2.67 0.01 . 2 . . . . 155 TRP HB2 . 15253 1 1478 . 1 1 155 155 TRP HB3 H 1 3.21 0.01 . 2 . . . . 155 TRP HB3 . 15253 1 1479 . 1 1 155 155 TRP C C 13 176.72 0.3 . 1 . . . . 155 TRP C . 15253 1 1480 . 1 1 155 155 TRP CA C 13 55.63 0.3 . 1 . . . . 155 TRP CA . 15253 1 1481 . 1 1 155 155 TRP CB C 13 32.3 0.3 . 1 . . . . 155 TRP CB . 15253 1 1482 . 1 1 155 155 TRP N N 15 126.04 0.5 . 1 . . . . 155 TRP N . 15253 1 1483 . 1 1 156 156 VAL H H 1 9.88 0.01 . 1 . . . . 156 VAL H . 15253 1 1484 . 1 1 156 156 VAL HA H 1 5.29 0.01 . 1 . . . . 156 VAL HA . 15253 1 1485 . 1 1 156 156 VAL HB H 1 2.27 0.01 . 1 . . . . 156 VAL HB . 15253 1 1486 . 1 1 156 156 VAL HG11 H 1 1.04 0.01 . 2 . . . . 156 VAL HG1 . 15253 1 1487 . 1 1 156 156 VAL HG12 H 1 1.04 0.01 . 2 . . . . 156 VAL HG1 . 15253 1 1488 . 1 1 156 156 VAL HG13 H 1 1.04 0.01 . 2 . . . . 156 VAL HG1 . 15253 1 1489 . 1 1 156 156 VAL HG21 H 1 0.98 0.01 . 2 . . . . 156 VAL HG2 . 15253 1 1490 . 1 1 156 156 VAL HG22 H 1 0.98 0.01 . 2 . . . . 156 VAL HG2 . 15253 1 1491 . 1 1 156 156 VAL HG23 H 1 0.98 0.01 . 2 . . . . 156 VAL HG2 . 15253 1 1492 . 1 1 156 156 VAL C C 13 174.6 0.3 . 1 . . . . 156 VAL C . 15253 1 1493 . 1 1 156 156 VAL CA C 13 59.77 0.3 . 1 . . . . 156 VAL CA . 15253 1 1494 . 1 1 156 156 VAL CB C 13 35.64 0.3 . 1 . . . . 156 VAL CB . 15253 1 1495 . 1 1 156 156 VAL CG1 C 13 21.39 0.3 . 2 . . . . 156 VAL CG1 . 15253 1 1496 . 1 1 156 156 VAL CG2 C 13 19.91 0.3 . 2 . . . . 156 VAL CG2 . 15253 1 1497 . 1 1 156 156 VAL N N 15 117.85 0.5 . 1 . . . . 156 VAL N . 15253 1 1498 . 1 1 157 157 ARG H H 1 7.82 0.01 . 1 . . . . 157 ARG H . 15253 1 1499 . 1 1 157 157 ARG HA H 1 5.15 0.01 . 1 . . . . 157 ARG HA . 15253 1 1500 . 1 1 157 157 ARG HB2 H 1 0.95 0.01 . 2 . . . . 157 ARG HB2 . 15253 1 1501 . 1 1 157 157 ARG HB3 H 1 1.47 0.01 . 2 . . . . 157 ARG HB3 . 15253 1 1502 . 1 1 157 157 ARG HD2 H 1 2.55 0.01 . 1 . . . . 157 ARG HD2 . 15253 1 1503 . 1 1 157 157 ARG HD3 H 1 2.55 0.01 . 1 . . . . 157 ARG HD3 . 15253 1 1504 . 1 1 157 157 ARG HG2 H 1 1.01 0.01 . 1 . . . . 157 ARG HG2 . 15253 1 1505 . 1 1 157 157 ARG HG3 H 1 1.01 0.01 . 1 . . . . 157 ARG HG3 . 15253 1 1506 . 1 1 157 157 ARG C C 13 177.13 0.3 . 1 . . . . 157 ARG C . 15253 1 1507 . 1 1 157 157 ARG CA C 13 55.85 0.3 . 1 . . . . 157 ARG CA . 15253 1 1508 . 1 1 157 157 ARG CB C 13 29.14 0.3 . 1 . . . . 157 ARG CB . 15253 1 1509 . 1 1 157 157 ARG CD C 13 42.31 0.3 . 1 . . . . 157 ARG CD . 15253 1 1510 . 1 1 157 157 ARG CG C 13 26.8 0.3 . 1 . . . . 157 ARG CG . 15253 1 1511 . 1 1 157 157 ARG N N 15 126.68 0.5 . 1 . . . . 157 ARG N . 15253 1 1512 . 1 1 158 158 SER H H 1 8.34 0.01 . 1 . . . . 158 SER H . 15253 1 1513 . 1 1 158 158 SER HA H 1 4.33 0.01 . 1 . . . . 158 SER HA . 15253 1 1514 . 1 1 158 158 SER HB2 H 1 3.74 0.01 . 1 . . . . 158 SER HB2 . 15253 1 1515 . 1 1 158 158 SER HB3 H 1 3.74 0.01 . 1 . . . . 158 SER HB3 . 15253 1 1516 . 1 1 158 158 SER C C 13 174.59 0.3 . 1 . . . . 158 SER C . 15253 1 1517 . 1 1 158 158 SER CA C 13 58.27 0.3 . 1 . . . . 158 SER CA . 15253 1 1518 . 1 1 158 158 SER CB C 13 63.91 0.3 . 1 . . . . 158 SER CB . 15253 1 1519 . 1 1 158 158 SER N N 15 121.03 0.5 . 1 . . . . 158 SER N . 15253 1 1520 . 1 1 159 159 ALA H H 1 8.39 0.01 . 1 . . . . 159 ALA H . 15253 1 1521 . 1 1 159 159 ALA HA H 1 4.4 0.01 . 1 . . . . 159 ALA HA . 15253 1 1522 . 1 1 159 159 ALA HB1 H 1 1.43 0.01 . 1 . . . . 159 ALA HB . 15253 1 1523 . 1 1 159 159 ALA HB2 H 1 1.43 0.01 . 1 . . . . 159 ALA HB . 15253 1 1524 . 1 1 159 159 ALA HB3 H 1 1.43 0.01 . 1 . . . . 159 ALA HB . 15253 1 1525 . 1 1 159 159 ALA C C 13 179.02 0.3 . 1 . . . . 159 ALA C . 15253 1 1526 . 1 1 159 159 ALA CA C 13 52.74 0.3 . 1 . . . . 159 ALA CA . 15253 1 1527 . 1 1 159 159 ALA CB C 13 19.17 0.3 . 1 . . . . 159 ALA CB . 15253 1 1528 . 1 1 159 159 ALA N N 15 126.27 0.5 . 1 . . . . 159 ALA N . 15253 1 1529 . 1 1 160 160 SER H H 1 8.2 0.01 . 1 . . . . 160 SER H . 15253 1 1530 . 1 1 160 160 SER HA H 1 4.43 0.01 . 1 . . . . 160 SER HA . 15253 1 1531 . 1 1 160 160 SER HB2 H 1 3.81 0.01 . 1 . . . . 160 SER HB2 . 15253 1 1532 . 1 1 160 160 SER HB3 H 1 3.81 0.01 . 1 . . . . 160 SER HB3 . 15253 1 1533 . 1 1 160 160 SER C C 13 176.52 0.3 . 1 . . . . 160 SER C . 15253 1 1534 . 1 1 160 160 SER CA C 13 57.26 0.3 . 1 . . . . 160 SER CA . 15253 1 1535 . 1 1 160 160 SER CB C 13 63.81 0.3 . 1 . . . . 160 SER CB . 15253 1 1536 . 1 1 160 160 SER N N 15 114.47 0.5 . 1 . . . . 160 SER N . 15253 1 1537 . 1 1 161 161 SER H H 1 8.23 0.01 . 1 . . . . 161 SER H . 15253 1 1538 . 1 1 161 161 SER HA H 1 4.54 0.01 . 1 . . . . 161 SER HA . 15253 1 1539 . 1 1 161 161 SER HB2 H 1 3.92 0.01 . 1 . . . . 161 SER HB2 . 15253 1 1540 . 1 1 161 161 SER HB3 H 1 3.92 0.01 . 1 . . . . 161 SER HB3 . 15253 1 1541 . 1 1 161 161 SER C C 13 173.79 0.3 . 1 . . . . 161 SER C . 15253 1 1542 . 1 1 161 161 SER CA C 13 56.08 0.3 . 1 . . . . 161 SER CA . 15253 1 1543 . 1 1 161 161 SER CB C 13 64.58 0.3 . 1 . . . . 161 SER CB . 15253 1 1544 . 1 1 161 161 SER N N 15 118.08 0.5 . 1 . . . . 161 SER N . 15253 1 1545 . 1 1 162 162 ARG H H 1 7.9 0.01 . 1 . . . . 162 ARG H . 15253 1 1546 . 1 1 162 162 ARG HA H 1 4.6 0.01 . 1 . . . . 162 ARG HA . 15253 1 1547 . 1 1 162 162 ARG HB2 H 1 1.93 0.01 . 1 . . . . 162 ARG HB2 . 15253 1 1548 . 1 1 162 162 ARG HB3 H 1 1.93 0.01 . 1 . . . . 162 ARG HB3 . 15253 1 1549 . 1 1 162 162 ARG HD2 H 1 3.31 0.01 . 1 . . . . 162 ARG HD2 . 15253 1 1550 . 1 1 162 162 ARG HD3 H 1 3.31 0.01 . 1 . . . . 162 ARG HD3 . 15253 1 1551 . 1 1 162 162 ARG HG2 H 1 1.7 0.01 . 1 . . . . 162 ARG HG2 . 15253 1 1552 . 1 1 162 162 ARG HG3 H 1 1.7 0.01 . 1 . . . . 162 ARG HG3 . 15253 1 1553 . 1 1 162 162 ARG CA C 13 57.51 0.3 . 1 . . . . 162 ARG CA . 15253 1 1554 . 1 1 162 162 ARG CB C 13 30.8 0.3 . 1 . . . . 162 ARG CB . 15253 1 1555 . 1 1 162 162 ARG CD C 13 43.57 0.3 . 1 . . . . 162 ARG CD . 15253 1 1556 . 1 1 162 162 ARG CG C 13 24.82 0.3 . 1 . . . . 162 ARG CG . 15253 1 1557 . 1 1 162 162 ARG N N 15 127.76 0.5 . 1 . . . . 162 ARG N . 15253 1 stop_ save_