data_6645 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6645 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . ; 1H, 13C and 15N backbone and side chain resonance assignments of Haloferax volcanii DHFR1 ; 'Structure analysis' . 6645 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . DHFR 6645 1 . 'Haloferax volcanii' 6645 1 . 'halophilic enzyme' 6645 1 . 'NMR chemical shift' 6645 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6645 _Entry.Title ; 1H, 13C and 15N backbone and side chain resonance assignments of Haloferax volcanii DHFR1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-23 _Entry.Accession_date 2005-05-23 _Entry.Last_release_date 2005-12-14 _Entry.Original_release_date 2005-12-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bulent Binbuga . . . 6645 2 John Young . K. . 6645 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . MSU . 6645 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6645 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 599 6645 '15N chemical shifts' 147 6645 '1H chemical shifts' 948 6645 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-12-14 2005-05-23 original author . 6645 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ITH 'BMRB Entry Tracking System' 6645 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6645 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16341756 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N backbone and side chain resonance assignments of Haloferax volcanii DHFR1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 33 _Citation.Journal_issue 4 _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 281 _Citation.Page_last 281 _Citation.Year 2005 _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 Bulent Binbuga . . . 6645 1 2 John Young . K. . 6645 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID DHFR 6645 1 'Haloferax volcanii' 6645 1 'halophilic enzyme' 6645 1 'NMR chemical shift' 6645 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6645 _Assembly.ID 1 _Assembly.Name hv-DHFR1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 17195 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6645 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 Haloferax_volcanii_Dihydrofolate_reductase 1 $hv-DHFR1 . . yes native no no . . . 6645 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'Dihydrofolate reductase' . 6645 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'catalyzes the reduction of dihyrofolate(DHFR) to tetrahydrofolate (THF)' 6645 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID hv-DHFR 6645 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hv-DHFR1 _Entity.Sf_category entity _Entity.Sf_framecode hv-DHFR1 _Entity.Entry_ID 6645 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Haloferax volcanii Dihydrofolate reductase (hv-DHFR1)' _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 present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17195 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15253 . hvDHFR1 . . . . . 100.00 162 100.00 100.00 2.84e-111 . . . . 6645 1 2 no PDB 1VDR . "Dihydrofolate Reductase" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 3 no PDB 2ITH . "Nmr Structure Of Haloferax Volcanii Dhfr" . . . . . 100.00 162 100.00 100.00 2.84e-111 . . . . 6645 1 4 no PDB 2JYB . "Binary Hvdhfr1:folate Complex" . . . . . 100.00 162 100.00 100.00 2.84e-111 . . . . 6645 1 5 no GB AAA72219 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 6 no GB ADE04659 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 7 no GB ELK54743 . "dihydrofolate reductase [Haloferax sp. BAB2207]" . . . . . 100.00 162 97.53 100.00 3.51e-109 . . . . 6645 1 8 no GB ELY28035 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 9 no GB ELZ74269 . "dihydrofolate reductase [Haloferax lucentense DSM 14919]" . . . . . 100.00 162 97.53 100.00 3.51e-109 . . . . 6645 1 10 no REF WP_004043660 . "dihydrofolate reductase [Haloferax volcanii]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 11 no REF WP_004063628 . "MULTISPECIES: dihydrofolate reductase [Haloferax]" . . . . . 100.00 162 97.53 100.00 3.51e-109 . . . . 6645 1 12 no REF YP_003535331 . "dihydrofolate reductase [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 1 13 no SP P15093 . "RecName: Full=Dihydrofolate reductase HdrA; Short=DHFR A; Short=hDHFR-1 [Haloferax volcanii DS2]" . . . . . 100.00 162 99.38 100.00 4.54e-111 . . . . 6645 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 . 6645 1 2 . GLU . 6645 1 3 . LEU . 6645 1 4 . VAL . 6645 1 5 . SER . 6645 1 6 . VAL . 6645 1 7 . ALA . 6645 1 8 . ALA . 6645 1 9 . LEU . 6645 1 10 . ALA . 6645 1 11 . GLU . 6645 1 12 . ASN . 6645 1 13 . ARG . 6645 1 14 . VAL . 6645 1 15 . ILE . 6645 1 16 . GLY . 6645 1 17 . ARG . 6645 1 18 . ASP . 6645 1 19 . GLY . 6645 1 20 . GLU . 6645 1 21 . LEU . 6645 1 22 . PRO . 6645 1 23 . TRP . 6645 1 24 . PRO . 6645 1 25 . SER . 6645 1 26 . ILE . 6645 1 27 . PRO . 6645 1 28 . ALA . 6645 1 29 . ASP . 6645 1 30 . LYS . 6645 1 31 . LYS . 6645 1 32 . GLN . 6645 1 33 . TYR . 6645 1 34 . ARG . 6645 1 35 . SER . 6645 1 36 . ARG . 6645 1 37 . VAL . 6645 1 38 . ALA . 6645 1 39 . ASP . 6645 1 40 . ASP . 6645 1 41 . PRO . 6645 1 42 . VAL . 6645 1 43 . VAL . 6645 1 44 . LEU . 6645 1 45 . GLY . 6645 1 46 . ARG . 6645 1 47 . THR . 6645 1 48 . THR . 6645 1 49 . PHE . 6645 1 50 . GLU . 6645 1 51 . SER . 6645 1 52 . MET . 6645 1 53 . ARG . 6645 1 54 . ASP . 6645 1 55 . ASP . 6645 1 56 . LEU . 6645 1 57 . PRO . 6645 1 58 . GLY . 6645 1 59 . SER . 6645 1 60 . ALA . 6645 1 61 . GLN . 6645 1 62 . ILE . 6645 1 63 . VAL . 6645 1 64 . MET . 6645 1 65 . SER . 6645 1 66 . ARG . 6645 1 67 . SER . 6645 1 68 . GLU . 6645 1 69 . ARG . 6645 1 70 . SER . 6645 1 71 . PHE . 6645 1 72 . SER . 6645 1 73 . VAL . 6645 1 74 . ASP . 6645 1 75 . THR . 6645 1 76 . ALA . 6645 1 77 . HIS . 6645 1 78 . ARG . 6645 1 79 . ALA . 6645 1 80 . ALA . 6645 1 81 . SER . 6645 1 82 . VAL . 6645 1 83 . GLU . 6645 1 84 . GLU . 6645 1 85 . ALA . 6645 1 86 . VAL . 6645 1 87 . ASP . 6645 1 88 . ILE . 6645 1 89 . ALA . 6645 1 90 . ALA . 6645 1 91 . SER . 6645 1 92 . LEU . 6645 1 93 . ASP . 6645 1 94 . ALA . 6645 1 95 . GLU . 6645 1 96 . THR . 6645 1 97 . ALA . 6645 1 98 . TYR . 6645 1 99 . VAL . 6645 1 100 . ILE . 6645 1 101 . GLY . 6645 1 102 . GLY . 6645 1 103 . ALA . 6645 1 104 . ALA . 6645 1 105 . ILE . 6645 1 106 . TYR . 6645 1 107 . ALA . 6645 1 108 . LEU . 6645 1 109 . PHE . 6645 1 110 . GLN . 6645 1 111 . PRO . 6645 1 112 . HIS . 6645 1 113 . LEU . 6645 1 114 . ASP . 6645 1 115 . ARG . 6645 1 116 . MET . 6645 1 117 . VAL . 6645 1 118 . LEU . 6645 1 119 . SER . 6645 1 120 . ARG . 6645 1 121 . VAL . 6645 1 122 . PRO . 6645 1 123 . GLY . 6645 1 124 . GLU . 6645 1 125 . TYR . 6645 1 126 . GLU . 6645 1 127 . GLY . 6645 1 128 . ASP . 6645 1 129 . THR . 6645 1 130 . TYR . 6645 1 131 . TYR . 6645 1 132 . PRO . 6645 1 133 . GLU . 6645 1 134 . TRP . 6645 1 135 . ASP . 6645 1 136 . ALA . 6645 1 137 . ALA . 6645 1 138 . GLU . 6645 1 139 . TRP . 6645 1 140 . GLU . 6645 1 141 . LEU . 6645 1 142 . ASP . 6645 1 143 . ALA . 6645 1 144 . GLU . 6645 1 145 . THR . 6645 1 146 . ASP . 6645 1 147 . HIS . 6645 1 148 . GLU . 6645 1 149 . GLY . 6645 1 150 . PHE . 6645 1 151 . THR . 6645 1 152 . LEU . 6645 1 153 . GLN . 6645 1 154 . GLU . 6645 1 155 . TRP . 6645 1 156 . VAL . 6645 1 157 . ARG . 6645 1 158 . SER . 6645 1 159 . ALA . 6645 1 160 . SER . 6645 1 161 . SER . 6645 1 162 . ARG . 6645 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 6645 1 . GLU 2 2 6645 1 . LEU 3 3 6645 1 . VAL 4 4 6645 1 . SER 5 5 6645 1 . VAL 6 6 6645 1 . ALA 7 7 6645 1 . ALA 8 8 6645 1 . LEU 9 9 6645 1 . ALA 10 10 6645 1 . GLU 11 11 6645 1 . ASN 12 12 6645 1 . ARG 13 13 6645 1 . VAL 14 14 6645 1 . ILE 15 15 6645 1 . GLY 16 16 6645 1 . ARG 17 17 6645 1 . ASP 18 18 6645 1 . GLY 19 19 6645 1 . GLU 20 20 6645 1 . LEU 21 21 6645 1 . PRO 22 22 6645 1 . TRP 23 23 6645 1 . PRO 24 24 6645 1 . SER 25 25 6645 1 . ILE 26 26 6645 1 . PRO 27 27 6645 1 . ALA 28 28 6645 1 . ASP 29 29 6645 1 . LYS 30 30 6645 1 . LYS 31 31 6645 1 . GLN 32 32 6645 1 . TYR 33 33 6645 1 . ARG 34 34 6645 1 . SER 35 35 6645 1 . ARG 36 36 6645 1 . VAL 37 37 6645 1 . ALA 38 38 6645 1 . ASP 39 39 6645 1 . ASP 40 40 6645 1 . PRO 41 41 6645 1 . VAL 42 42 6645 1 . VAL 43 43 6645 1 . LEU 44 44 6645 1 . GLY 45 45 6645 1 . ARG 46 46 6645 1 . THR 47 47 6645 1 . THR 48 48 6645 1 . PHE 49 49 6645 1 . GLU 50 50 6645 1 . SER 51 51 6645 1 . MET 52 52 6645 1 . ARG 53 53 6645 1 . ASP 54 54 6645 1 . ASP 55 55 6645 1 . LEU 56 56 6645 1 . PRO 57 57 6645 1 . GLY 58 58 6645 1 . SER 59 59 6645 1 . ALA 60 60 6645 1 . GLN 61 61 6645 1 . ILE 62 62 6645 1 . VAL 63 63 6645 1 . MET 64 64 6645 1 . SER 65 65 6645 1 . ARG 66 66 6645 1 . SER 67 67 6645 1 . GLU 68 68 6645 1 . ARG 69 69 6645 1 . SER 70 70 6645 1 . PHE 71 71 6645 1 . SER 72 72 6645 1 . VAL 73 73 6645 1 . ASP 74 74 6645 1 . THR 75 75 6645 1 . ALA 76 76 6645 1 . HIS 77 77 6645 1 . ARG 78 78 6645 1 . ALA 79 79 6645 1 . ALA 80 80 6645 1 . SER 81 81 6645 1 . VAL 82 82 6645 1 . GLU 83 83 6645 1 . GLU 84 84 6645 1 . ALA 85 85 6645 1 . VAL 86 86 6645 1 . ASP 87 87 6645 1 . ILE 88 88 6645 1 . ALA 89 89 6645 1 . ALA 90 90 6645 1 . SER 91 91 6645 1 . LEU 92 92 6645 1 . ASP 93 93 6645 1 . ALA 94 94 6645 1 . GLU 95 95 6645 1 . THR 96 96 6645 1 . ALA 97 97 6645 1 . TYR 98 98 6645 1 . VAL 99 99 6645 1 . ILE 100 100 6645 1 . GLY 101 101 6645 1 . GLY 102 102 6645 1 . ALA 103 103 6645 1 . ALA 104 104 6645 1 . ILE 105 105 6645 1 . TYR 106 106 6645 1 . ALA 107 107 6645 1 . LEU 108 108 6645 1 . PHE 109 109 6645 1 . GLN 110 110 6645 1 . PRO 111 111 6645 1 . HIS 112 112 6645 1 . LEU 113 113 6645 1 . ASP 114 114 6645 1 . ARG 115 115 6645 1 . MET 116 116 6645 1 . VAL 117 117 6645 1 . LEU 118 118 6645 1 . SER 119 119 6645 1 . ARG 120 120 6645 1 . VAL 121 121 6645 1 . PRO 122 122 6645 1 . GLY 123 123 6645 1 . GLU 124 124 6645 1 . TYR 125 125 6645 1 . GLU 126 126 6645 1 . GLY 127 127 6645 1 . ASP 128 128 6645 1 . THR 129 129 6645 1 . TYR 130 130 6645 1 . TYR 131 131 6645 1 . PRO 132 132 6645 1 . GLU 133 133 6645 1 . TRP 134 134 6645 1 . ASP 135 135 6645 1 . ALA 136 136 6645 1 . ALA 137 137 6645 1 . GLU 138 138 6645 1 . TRP 139 139 6645 1 . GLU 140 140 6645 1 . LEU 141 141 6645 1 . ASP 142 142 6645 1 . ALA 143 143 6645 1 . GLU 144 144 6645 1 . THR 145 145 6645 1 . ASP 146 146 6645 1 . HIS 147 147 6645 1 . GLU 148 148 6645 1 . GLY 149 149 6645 1 . PHE 150 150 6645 1 . THR 151 151 6645 1 . LEU 152 152 6645 1 . GLN 153 153 6645 1 . GLU 154 154 6645 1 . TRP 155 155 6645 1 . VAL 156 156 6645 1 . ARG 157 157 6645 1 . SER 158 158 6645 1 . ALA 159 159 6645 1 . SER 160 160 6645 1 . SER 161 161 6645 1 . ARG 162 162 6645 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6645 _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 $hv-DHFR1 . 2246 organism . 'Haloferax volcanii' 'Haloferax volcanii' . . Archaea . Haloferax volcanii . . . . . . . . . . . . . . . . . . . . . 6645 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 6645 _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 $hv-DHFR1 . 'recombinant technology' . 'E. coli' . . . . Rosetta . . . . . . . . . . . . . . . pET-11d . Novagen . . . . 6645 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Sample.Sf_category sample _Sample.Sf_framecode 2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Sample.Entry_ID 6645 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Haloferax Volcanii Dihydrofolate reductase (hv-DHFR)' '[U-1H; U-13C; U-15N]' . . 1 $hv-DHFR1 . protein 2 . . mM . . . . 6645 1 2 NaCl . . . . . . . 3.5 . . mM . . . . 6645 1 3 'Tris buffer' . . . . . . . 10 . . mM . . . . 6645 1 stop_ save_ ####################### # Sample conditions # ####################### save_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode 3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Sample_condition_list.Entry_ID 6645 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.010 0.001 M 6645 1 pH 7.0 0.02 pH 6645 1 temperature 298 0.1 K 6645 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 6645 _Software.ID 1 _Software.Name NMRDraw _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6645 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6645 _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 '1H15N_HSQC (example)' no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 2 HNCA no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 3 HN(CO)CA no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 4 HNCACB no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 5 CBCANH no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 6 HNCO no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 7 HN(CA)CO no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 8 CCC-TOCSY no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 9 HCC-TOCSY no . . . . . . . . . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6645 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6645 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6645 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6645 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6645 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6645 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $2mM_of_hv-DHFR_in_3.5_M_NaCl_and_10mM_Tris_buffer_at_pH_7 isotropic 6645 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 4.25 0.01 . 1 . . . . 1 MET HA . 6645 1 2 . 1 1 1 1 MET HB2 H 1 2.13 0.01 . 2 . . . . 1 MET HB2 . 6645 1 3 . 1 1 1 1 MET HB3 H 1 2.30 0.01 . 2 . . . . 1 MET HB3 . 6645 1 4 . 1 1 1 1 MET HG2 H 1 2.51 0.01 . 2 . . . . 1 MET HG2 . 6645 1 5 . 1 1 1 1 MET HG3 H 1 2.76 0.01 . 2 . . . . 1 MET HG3 . 6645 1 6 . 1 1 1 1 MET C C 13 172.31 0.3 . 1 . . . . 1 MET C . 6645 1 7 . 1 1 1 1 MET CA C 13 54.77 0.3 . 1 . . . . 1 MET CA . 6645 1 8 . 1 1 1 1 MET CB C 13 25.91 0.3 . 1 . . . . 1 MET CB . 6645 1 9 . 1 1 1 1 MET CG C 13 30.28 0.3 . 1 . . . . 1 MET CG . 6645 1 10 . 1 1 2 2 GLU H H 1 8.47 0.01 . 1 . . . . 2 GLU H . 6645 1 11 . 1 1 2 2 GLU HA H 1 5.08 0.01 . 1 . . . . 2 GLU HA . 6645 1 12 . 1 1 2 2 GLU HB2 H 1 2.24 0.01 . 1 . . . . 2 GLU HB2 . 6645 1 13 . 1 1 2 2 GLU HB3 H 1 2.24 0.01 . 1 . . . . 2 GLU HB3 . 6645 1 14 . 1 1 2 2 GLU HG2 H 1 2.48 0.01 . 2 . . . . 2 GLU HG2 . 6645 1 15 . 1 1 2 2 GLU HG3 H 1 2.78 0.01 . 2 . . . . 2 GLU HG3 . 6645 1 16 . 1 1 2 2 GLU C C 13 174.35 0.3 . 1 . . . . 2 GLU C . 6645 1 17 . 1 1 2 2 GLU CA C 13 54.77 0.3 . 1 . . . . 2 GLU CA . 6645 1 18 . 1 1 2 2 GLU CB C 13 31.76 0.3 . 1 . . . . 2 GLU CB . 6645 1 19 . 1 1 2 2 GLU N N 15 126.51 0.5 . 1 . . . . 2 GLU N . 6645 1 20 . 1 1 3 3 LEU H H 1 9.91 0.01 . 1 . . . . 3 LEU H . 6645 1 21 . 1 1 3 3 LEU HA H 1 5.28 0.01 . 1 . . . . 3 LEU HA . 6645 1 22 . 1 1 3 3 LEU HB2 H 1 1.86 0.01 . 1 . . . . 3 LEU HB2 . 6645 1 23 . 1 1 3 3 LEU HB3 H 1 1.86 0.01 . 1 . . . . 3 LEU HB3 . 6645 1 24 . 1 1 3 3 LEU HG H 1 1.56 0.01 . 1 . . . . 3 LEU HG . 6645 1 25 . 1 1 3 3 LEU HD11 H 1 1.12 0.01 . 1 . . . . 3 LEU HD1 . 6645 1 26 . 1 1 3 3 LEU HD12 H 1 1.12 0.01 . 1 . . . . 3 LEU HD1 . 6645 1 27 . 1 1 3 3 LEU HD13 H 1 1.12 0.01 . 1 . . . . 3 LEU HD1 . 6645 1 28 . 1 1 3 3 LEU HD21 H 1 0.96 0.01 . 1 . . . . 3 LEU HD2 . 6645 1 29 . 1 1 3 3 LEU HD22 H 1 0.96 0.01 . 1 . . . . 3 LEU HD2 . 6645 1 30 . 1 1 3 3 LEU HD23 H 1 0.96 0.01 . 1 . . . . 3 LEU HD2 . 6645 1 31 . 1 1 3 3 LEU C C 13 176.83 0.3 . 1 . . . . 3 LEU C . 6645 1 32 . 1 1 3 3 LEU CA C 13 53.53 0.3 . 1 . . . . 3 LEU CA . 6645 1 33 . 1 1 3 3 LEU CB C 13 44.14 0.3 . 1 . . . . 3 LEU CB . 6645 1 34 . 1 1 3 3 LEU CG C 13 26.49 0.3 . 1 . . . . 3 LEU CG . 6645 1 35 . 1 1 3 3 LEU CD1 C 13 25.04 0.3 . 2 . . . . 3 LEU CD1 . 6645 1 36 . 1 1 3 3 LEU CD2 C 13 23.03 0.3 . 2 . . . . 3 LEU CD2 . 6645 1 37 . 1 1 3 3 LEU N N 15 125.69 0.5 . 1 . . . . 3 LEU N . 6645 1 38 . 1 1 4 4 VAL H H 1 8.64 0.01 . 1 . . . . 4 VAL H . 6645 1 39 . 1 1 4 4 VAL HA H 1 5.53 0.01 . 1 . . . . 4 VAL HA . 6645 1 40 . 1 1 4 4 VAL HB H 1 1.99 0.01 . 1 . . . . 4 VAL HB . 6645 1 41 . 1 1 4 4 VAL HG11 H 1 1.17 0.01 . 2 . . . . 4 VAL HG1 . 6645 1 42 . 1 1 4 4 VAL HG12 H 1 1.17 0.01 . 2 . . . . 4 VAL HG1 . 6645 1 43 . 1 1 4 4 VAL HG13 H 1 1.17 0.01 . 2 . . . . 4 VAL HG1 . 6645 1 44 . 1 1 4 4 VAL HG21 H 1 0.93 0.01 . 2 . . . . 4 VAL HG2 . 6645 1 45 . 1 1 4 4 VAL HG22 H 1 0.93 0.01 . 2 . . . . 4 VAL HG2 . 6645 1 46 . 1 1 4 4 VAL HG23 H 1 0.93 0.01 . 2 . . . . 4 VAL HG2 . 6645 1 47 . 1 1 4 4 VAL C C 13 176.76 0.3 . 1 . . . . 4 VAL C . 6645 1 48 . 1 1 4 4 VAL CA C 13 59.95 0.3 . 1 . . . . 4 VAL CA . 6645 1 49 . 1 1 4 4 VAL CB C 13 35.37 0.3 . 1 . . . . 4 VAL CB . 6645 1 50 . 1 1 4 4 VAL CG1 C 13 20.91 0.3 . 1 . . . . 4 VAL CG1 . 6645 1 51 . 1 1 4 4 VAL CG2 C 13 20.91 0.3 . 1 . . . . 4 VAL CG2 . 6645 1 52 . 1 1 4 4 VAL N N 15 125.65 0.5 . 1 . . . . 4 VAL N . 6645 1 53 . 1 1 5 5 SER H H 1 8.80 0.01 . 1 . . . . 5 SER H . 6645 1 54 . 1 1 5 5 SER HA H 1 5.06 0.01 . 1 . . . . 5 SER HA . 6645 1 55 . 1 1 5 5 SER HB2 H 1 4.37 0.01 . 1 . . . . 5 SER HB2 . 6645 1 56 . 1 1 5 5 SER HB3 H 1 4.37 0.01 . 1 . . . . 5 SER HB3 . 6645 1 57 . 1 1 5 5 SER C C 13 173.35 0.3 . 1 . . . . 5 SER C . 6645 1 58 . 1 1 5 5 SER CA C 13 56.87 0.3 . 1 . . . . 5 SER CA . 6645 1 59 . 1 1 5 5 SER CB C 13 64.74 0.3 . 1 . . . . 5 SER CB . 6645 1 60 . 1 1 5 5 SER N N 15 122.49 0.5 . 1 . . . . 5 SER N . 6645 1 61 . 1 1 6 6 VAL H H 1 8.60 0.01 . 1 . . . . 6 VAL H . 6645 1 62 . 1 1 6 6 VAL HA H 1 5.50 0.01 . 1 . . . . 6 VAL HA . 6645 1 63 . 1 1 6 6 VAL HB H 1 2.26 0.01 . 1 . . . . 6 VAL HB . 6645 1 64 . 1 1 6 6 VAL HG11 H 1 0.10 0.01 . 2 . . . . 6 VAL HG1 . 6645 1 65 . 1 1 6 6 VAL HG12 H 1 0.10 0.01 . 2 . . . . 6 VAL HG1 . 6645 1 66 . 1 1 6 6 VAL HG13 H 1 0.10 0.01 . 2 . . . . 6 VAL HG1 . 6645 1 67 . 1 1 6 6 VAL HG21 H 1 1.12 0.01 . 2 . . . . 6 VAL HG2 . 6645 1 68 . 1 1 6 6 VAL HG22 H 1 1.12 0.01 . 2 . . . . 6 VAL HG2 . 6645 1 69 . 1 1 6 6 VAL HG23 H 1 1.12 0.01 . 2 . . . . 6 VAL HG2 . 6645 1 70 . 1 1 6 6 VAL C C 13 175.79 0.3 . 1 . . . . 6 VAL C . 6645 1 71 . 1 1 6 6 VAL CA C 13 60.80 0.3 . 1 . . . . 6 VAL CA . 6645 1 72 . 1 1 6 6 VAL CB C 13 33.85 0.3 . 1 . . . . 6 VAL CB . 6645 1 73 . 1 1 6 6 VAL CG1 C 13 22.20 0.3 . 2 . . . . 6 VAL CG1 . 6645 1 74 . 1 1 6 6 VAL CG2 C 13 22.46 0.3 . 2 . . . . 6 VAL CG2 . 6645 1 75 . 1 1 6 6 VAL N N 15 119.85 0.5 . 1 . . . . 6 VAL N . 6645 1 76 . 1 1 7 7 ALA H H 1 8.46 0.01 . 1 . . . . 7 ALA H . 6645 1 77 . 1 1 7 7 ALA HA H 1 4.87 0.01 . 1 . . . . 7 ALA HA . 6645 1 78 . 1 1 7 7 ALA HB1 H 1 1.05 0.01 . 1 . . . . 7 ALA HB . 6645 1 79 . 1 1 7 7 ALA HB2 H 1 1.05 0.01 . 1 . . . . 7 ALA HB . 6645 1 80 . 1 1 7 7 ALA HB3 H 1 1.05 0.01 . 1 . . . . 7 ALA HB . 6645 1 81 . 1 1 7 7 ALA C C 13 173.73 0.3 . 1 . . . . 7 ALA C . 6645 1 82 . 1 1 7 7 ALA CA C 13 51.74 0.3 . 1 . . . . 7 ALA CA . 6645 1 83 . 1 1 7 7 ALA CB C 13 24.51 0.3 . 1 . . . . 7 ALA CB . 6645 1 84 . 1 1 7 7 ALA N N 15 127.98 0.5 . 1 . . . . 7 ALA N . 6645 1 85 . 1 1 8 8 ALA H H 1 8.19 0.01 . 1 . . . . 8 ALA H . 6645 1 86 . 1 1 8 8 ALA HA H 1 4.67 0.01 . 1 . . . . 8 ALA HA . 6645 1 87 . 1 1 8 8 ALA HB1 H 1 1.59 0.01 . 1 . . . . 8 ALA HB . 6645 1 88 . 1 1 8 8 ALA HB2 H 1 1.59 0.01 . 1 . . . . 8 ALA HB . 6645 1 89 . 1 1 8 8 ALA HB3 H 1 1.59 0.01 . 1 . . . . 8 ALA HB . 6645 1 90 . 1 1 8 8 ALA C C 13 175.23 0.3 . 1 . . . . 8 ALA C . 6645 1 91 . 1 1 8 8 ALA CA C 13 50.62 0.3 . 1 . . . . 8 ALA CA . 6645 1 92 . 1 1 8 8 ALA CB C 13 20.66 0.3 . 1 . . . . 8 ALA CB . 6645 1 93 . 1 1 8 8 ALA N N 15 123.55 0.5 . 1 . . . . 8 ALA N . 6645 1 94 . 1 1 9 9 LEU H H 1 8.99 0.01 . 1 . . . . 9 LEU H . 6645 1 95 . 1 1 9 9 LEU HA H 1 5.56 0.01 . 1 . . . . 9 LEU HA . 6645 1 96 . 1 1 9 9 LEU HB2 H 1 1.91 0.01 . 1 . . . . 9 LEU HB2 . 6645 1 97 . 1 1 9 9 LEU HB3 H 1 1.91 0.01 . 1 . . . . 9 LEU HB3 . 6645 1 98 . 1 1 9 9 LEU HG H 1 1.17 0.01 . 1 . . . . 9 LEU HG . 6645 1 99 . 1 1 9 9 LEU HD11 H 1 0.80 0.01 . 2 . . . . 9 LEU HD1 . 6645 1 100 . 1 1 9 9 LEU HD12 H 1 0.80 0.01 . 2 . . . . 9 LEU HD1 . 6645 1 101 . 1 1 9 9 LEU HD13 H 1 0.80 0.01 . 2 . . . . 9 LEU HD1 . 6645 1 102 . 1 1 9 9 LEU HD21 H 1 -0.08 0.01 . 2 . . . . 9 LEU HD2 . 6645 1 103 . 1 1 9 9 LEU HD22 H 1 -0.08 0.01 . 2 . . . . 9 LEU HD2 . 6645 1 104 . 1 1 9 9 LEU HD23 H 1 -0.08 0.01 . 2 . . . . 9 LEU HD2 . 6645 1 105 . 1 1 9 9 LEU CA C 13 53.80 0.3 . 1 . . . . 9 LEU CA . 6645 1 106 . 1 1 9 9 LEU CB C 13 45.12 0.3 . 1 . . . . 9 LEU CB . 6645 1 107 . 1 1 9 9 LEU CG C 13 26.71 0.3 . 1 . . . . 9 LEU CG . 6645 1 108 . 1 1 9 9 LEU CD1 C 13 23.70 0.3 . 2 . . . . 9 LEU CD1 . 6645 1 109 . 1 1 9 9 LEU CD2 C 13 19.03 0.3 . 2 . . . . 9 LEU CD2 . 6645 1 110 . 1 1 9 9 LEU N N 15 119.98 0.5 . 1 . . . . 9 LEU N . 6645 1 111 . 1 1 11 11 GLU HA H 1 4.23 0.01 . 1 . . . . 11 GLU HA . 6645 1 112 . 1 1 11 11 GLU HB2 H 1 2.17 0.01 . 1 . . . . 11 GLU HB2 . 6645 1 113 . 1 1 11 11 GLU HB3 H 1 2.17 0.01 . 1 . . . . 11 GLU HB3 . 6645 1 114 . 1 1 11 11 GLU HG2 H 1 2.25 0.01 . 2 . . . . 11 GLU HG2 . 6645 1 115 . 1 1 11 11 GLU HG3 H 1 2.32 0.01 . 2 . . . . 11 GLU HG3 . 6645 1 116 . 1 1 11 11 GLU C C 13 174.93 0.3 . 1 . . . . 11 GLU C . 6645 1 117 . 1 1 11 11 GLU CA C 13 54.81 0.3 . 1 . . . . 11 GLU CA . 6645 1 118 . 1 1 11 11 GLU CB C 13 31.53 0.3 . 1 . . . . 11 GLU CB . 6645 1 119 . 1 1 11 11 GLU CG C 13 33.02 0.3 . 1 . . . . 11 GLU CG . 6645 1 120 . 1 1 12 12 ASN H H 1 8.40 0.01 . 1 . . . . 12 ASN H . 6645 1 121 . 1 1 12 12 ASN HA H 1 4.50 0.01 . 1 . . . . 12 ASN HA . 6645 1 122 . 1 1 12 12 ASN HB2 H 1 3.01 0.01 . 2 . . . . 12 ASN HB2 . 6645 1 123 . 1 1 12 12 ASN HB3 H 1 3.51 0.01 . 2 . . . . 12 ASN HB3 . 6645 1 124 . 1 1 12 12 ASN CA C 13 54.92 0.3 . 1 . . . . 12 ASN CA . 6645 1 125 . 1 1 12 12 ASN CB C 13 41.42 0.3 . 1 . . . . 12 ASN CB . 6645 1 126 . 1 1 12 12 ASN N N 15 118.50 0.5 . 1 . . . . 12 ASN N . 6645 1 127 . 1 1 13 13 ARG HA H 1 4.02 0.01 . 1 . . . . 13 ARG HA . 6645 1 128 . 1 1 13 13 ARG C C 13 174.49 0.3 . 1 . . . . 13 ARG C . 6645 1 129 . 1 1 13 13 ARG CA C 13 58.75 0.3 . 1 . . . . 13 ARG CA . 6645 1 130 . 1 1 14 14 VAL H H 1 7.13 0.01 . 1 . . . . 14 VAL H . 6645 1 131 . 1 1 14 14 VAL HA H 1 4.00 0.01 . 1 . . . . 14 VAL HA . 6645 1 132 . 1 1 14 14 VAL HB H 1 2.56 0.01 . 1 . . . . 14 VAL HB . 6645 1 133 . 1 1 14 14 VAL HG11 H 1 0.84 0.01 . 2 . . . . 14 VAL HG1 . 6645 1 134 . 1 1 14 14 VAL HG12 H 1 0.84 0.01 . 2 . . . . 14 VAL HG1 . 6645 1 135 . 1 1 14 14 VAL HG13 H 1 0.84 0.01 . 2 . . . . 14 VAL HG1 . 6645 1 136 . 1 1 14 14 VAL HG21 H 1 1.09 0.01 . 2 . . . . 14 VAL HG2 . 6645 1 137 . 1 1 14 14 VAL HG22 H 1 1.09 0.01 . 2 . . . . 14 VAL HG2 . 6645 1 138 . 1 1 14 14 VAL HG23 H 1 1.09 0.01 . 2 . . . . 14 VAL HG2 . 6645 1 139 . 1 1 14 14 VAL C C 13 176.58 0.3 . 1 . . . . 14 VAL C . 6645 1 140 . 1 1 14 14 VAL CA C 13 63.87 0.3 . 1 . . . . 14 VAL CA . 6645 1 141 . 1 1 14 14 VAL CB C 13 32.88 0.3 . 1 . . . . 14 VAL CB . 6645 1 142 . 1 1 14 14 VAL CG1 C 13 20.26 0.3 . 2 . . . . 14 VAL CG1 . 6645 1 143 . 1 1 14 14 VAL CG2 C 13 18.97 0.3 . 2 . . . . 14 VAL CG2 . 6645 1 144 . 1 1 14 14 VAL N N 15 119.89 0.5 . 1 . . . . 14 VAL N . 6645 1 145 . 1 1 15 15 ILE H H 1 8.31 0.01 . 1 . . . . 15 ILE H . 6645 1 146 . 1 1 15 15 ILE HA H 1 4.26 0.01 . 1 . . . . 15 ILE HA . 6645 1 147 . 1 1 15 15 ILE HB H 1 2.50 0.01 . 1 . . . . 15 ILE HB . 6645 1 148 . 1 1 15 15 ILE HG12 H 1 1.57 0.01 . 2 . . . . 15 ILE HG12 . 6645 1 149 . 1 1 15 15 ILE HG13 H 1 1.98 0.01 . 2 . . . . 15 ILE HG13 . 6645 1 150 . 1 1 15 15 ILE HD11 H 1 1.07 0.01 . 1 . . . . 15 ILE HD1 . 6645 1 151 . 1 1 15 15 ILE HD12 H 1 1.07 0.01 . 1 . . . . 15 ILE HD1 . 6645 1 152 . 1 1 15 15 ILE HD13 H 1 1.07 0.01 . 1 . . . . 15 ILE HD1 . 6645 1 153 . 1 1 15 15 ILE C C 13 176.37 0.3 . 1 . . . . 15 ILE C . 6645 1 154 . 1 1 15 15 ILE CA C 13 59.29 0.3 . 1 . . . . 15 ILE CA . 6645 1 155 . 1 1 15 15 ILE CG1 C 13 25.73 0.3 . 2 . . . . 15 ILE CG1 . 6645 1 156 . 1 1 15 15 ILE CG2 C 13 17.06 0.3 . 2 . . . . 15 ILE CG2 . 6645 1 157 . 1 1 15 15 ILE CD1 C 13 11.17 0.3 . 1 . . . . 15 ILE CD1 . 6645 1 158 . 1 1 15 15 ILE N N 15 115.72 0.5 . 1 . . . . 15 ILE N . 6645 1 159 . 1 1 16 16 GLY H H 1 8.40 0.01 . 1 . . . . 16 GLY H . 6645 1 160 . 1 1 16 16 GLY HA2 H 1 4.26 0.01 . 1 . . . . 16 GLY HA2 . 6645 1 161 . 1 1 16 16 GLY HA3 H 1 4.26 0.01 . 1 . . . . 16 GLY HA3 . 6645 1 162 . 1 1 16 16 GLY C C 13 175.17 0.3 . 1 . . . . 16 GLY C . 6645 1 163 . 1 1 16 16 GLY CA C 13 45.71 0.3 . 1 . . . . 16 GLY CA . 6645 1 164 . 1 1 16 16 GLY N N 15 108.80 0.5 . 1 . . . . 16 GLY N . 6645 1 165 . 1 1 17 17 ARG H H 1 8.65 0.01 . 1 . . . . 17 ARG H . 6645 1 166 . 1 1 17 17 ARG HA H 1 5.31 0.01 . 1 . . . . 17 ARG HA . 6645 1 167 . 1 1 17 17 ARG CA C 13 53.45 0.3 . 1 . . . . 17 ARG CA . 6645 1 168 . 1 1 17 17 ARG N N 15 125.96 0.5 . 1 . . . . 17 ARG N . 6645 1 169 . 1 1 18 18 ASP HA H 1 4.33 0.01 . 1 . . . . 18 ASP HA . 6645 1 170 . 1 1 18 18 ASP HB2 H 1 2.68 0.01 . 2 . . . . 18 ASP HB2 . 6645 1 171 . 1 1 18 18 ASP HB3 H 1 3.15 0.01 . 2 . . . . 18 ASP HB3 . 6645 1 172 . 1 1 18 18 ASP C C 13 176.04 0.3 . 1 . . . . 18 ASP C . 6645 1 173 . 1 1 18 18 ASP CB C 13 40.04 0.3 . 1 . . . . 18 ASP CB . 6645 1 174 . 1 1 19 19 GLY H H 1 9.00 0.01 . 1 . . . . 19 GLY H . 6645 1 175 . 1 1 19 19 GLY HA2 H 1 3.82 0.01 . 2 . . . . 19 GLY HA2 . 6645 1 176 . 1 1 19 19 GLY HA3 H 1 4.54 0.01 . 2 . . . . 19 GLY HA3 . 6645 1 177 . 1 1 19 19 GLY C C 13 174.19 0.3 . 1 . . . . 19 GLY C . 6645 1 178 . 1 1 19 19 GLY CA C 13 45.35 0.3 . 1 . . . . 19 GLY CA . 6645 1 179 . 1 1 19 19 GLY N N 15 105.33 0.5 . 1 . . . . 19 GLY N . 6645 1 180 . 1 1 20 20 GLU H H 1 7.95 0.01 . 1 . . . . 20 GLU H . 6645 1 181 . 1 1 20 20 GLU HA H 1 4.39 0.01 . 1 . . . . 20 GLU HA . 6645 1 182 . 1 1 20 20 GLU HB2 H 1 2.01 0.01 . 2 . . . . 20 GLU HB2 . 6645 1 183 . 1 1 20 20 GLU HB3 H 1 2.16 0.01 . 2 . . . . 20 GLU HB3 . 6645 1 184 . 1 1 20 20 GLU HG2 H 1 2.37 0.01 . 1 . . . . 20 GLU HG2 . 6645 1 185 . 1 1 20 20 GLU HG3 H 1 2.37 0.01 . 1 . . . . 20 GLU HG3 . 6645 1 186 . 1 1 20 20 GLU C C 13 175.74 0.3 . 1 . . . . 20 GLU C . 6645 1 187 . 1 1 20 20 GLU CA C 13 53.69 0.3 . 1 . . . . 20 GLU CA . 6645 1 188 . 1 1 20 20 GLU CB C 13 31.69 0.3 . 1 . . . . 20 GLU CB . 6645 1 189 . 1 1 20 20 GLU CG C 13 35.50 0.3 . 1 . . . . 20 GLU CG . 6645 1 190 . 1 1 20 20 GLU N N 15 119.66 0.5 . 1 . . . . 20 GLU N . 6645 1 191 . 1 1 21 21 LEU H H 1 8.55 0.01 . 1 . . . . 21 LEU H . 6645 1 192 . 1 1 21 21 LEU HA H 1 4.53 0.01 . 1 . . . . 21 LEU HA . 6645 1 193 . 1 1 21 21 LEU HB2 H 1 1.73 0.01 . 1 . . . . 21 LEU HB2 . 6645 1 194 . 1 1 21 21 LEU HB3 H 1 1.73 0.01 . 1 . . . . 21 LEU HB3 . 6645 1 195 . 1 1 21 21 LEU HG H 1 1.49 0.01 . 1 . . . . 21 LEU HG . 6645 1 196 . 1 1 21 21 LEU HD11 H 1 0.87 0.01 . 2 . . . . 21 LEU HD1 . 6645 1 197 . 1 1 21 21 LEU HD12 H 1 0.87 0.01 . 2 . . . . 21 LEU HD1 . 6645 1 198 . 1 1 21 21 LEU HD13 H 1 0.87 0.01 . 2 . . . . 21 LEU HD1 . 6645 1 199 . 1 1 21 21 LEU HD21 H 1 1.05 0.01 . 2 . . . . 21 LEU HD2 . 6645 1 200 . 1 1 21 21 LEU HD22 H 1 1.05 0.01 . 2 . . . . 21 LEU HD2 . 6645 1 201 . 1 1 21 21 LEU HD23 H 1 1.05 0.01 . 2 . . . . 21 LEU HD2 . 6645 1 202 . 1 1 21 21 LEU CA C 13 52.43 0.3 . 1 . . . . 21 LEU CA . 6645 1 203 . 1 1 21 21 LEU CB C 13 41.41 0.3 . 1 . . . . 21 LEU CB . 6645 1 204 . 1 1 21 21 LEU CG C 13 25.52 0.3 . 1 . . . . 21 LEU CG . 6645 1 205 . 1 1 21 21 LEU CD1 C 13 24.89 0.3 . 2 . . . . 21 LEU CD1 . 6645 1 206 . 1 1 21 21 LEU CD2 C 13 26.74 0.3 . 2 . . . . 21 LEU CD2 . 6645 1 207 . 1 1 21 21 LEU N N 15 124.05 0.5 . 1 . . . . 21 LEU N . 6645 1 208 . 1 1 22 22 PRO HA H 1 4.55 0.01 . 1 . . . . 22 PRO HA . 6645 1 209 . 1 1 22 22 PRO HB2 H 1 2.56 0.01 . 2 . . . . 22 PRO HB2 . 6645 1 210 . 1 1 22 22 PRO HB3 H 1 2.36 0.01 . 2 . . . . 22 PRO HB3 . 6645 1 211 . 1 1 22 22 PRO HG2 H 1 2.02 0.01 . 1 . . . . 22 PRO HG2 . 6645 1 212 . 1 1 22 22 PRO HG3 H 1 2.02 0.01 . 1 . . . . 22 PRO HG3 . 6645 1 213 . 1 1 22 22 PRO HD2 H 1 3.93 0.01 . 2 . . . . 22 PRO HD2 . 6645 1 214 . 1 1 22 22 PRO HD3 H 1 4.09 0.01 . 2 . . . . 22 PRO HD3 . 6645 1 215 . 1 1 22 22 PRO C C 13 177.73 0.3 . 1 . . . . 22 PRO C . 6645 1 216 . 1 1 22 22 PRO CA C 13 65.57 0.3 . 1 . . . . 22 PRO CA . 6645 1 217 . 1 1 22 22 PRO CB C 13 25.44 0.3 . 1 . . . . 22 PRO CB . 6645 1 218 . 1 1 22 22 PRO CG C 13 26.07 0.3 . 1 . . . . 22 PRO CG . 6645 1 219 . 1 1 22 22 PRO CD C 13 46.83 0.3 . 1 . . . . 22 PRO CD . 6645 1 220 . 1 1 23 23 TRP H H 1 8.80 0.01 . 1 . . . . 23 TRP H . 6645 1 221 . 1 1 23 23 TRP HA H 1 4.55 0.01 . 1 . . . . 23 TRP HA . 6645 1 222 . 1 1 23 23 TRP HB2 H 1 3.00 0.01 . 2 . . . . 23 TRP HB2 . 6645 1 223 . 1 1 23 23 TRP HB3 H 1 3.48 0.01 . 2 . . . . 23 TRP HB3 . 6645 1 224 . 1 1 23 23 TRP CA C 13 57.71 0.3 . 1 . . . . 23 TRP CA . 6645 1 225 . 1 1 23 23 TRP CB C 13 32.26 0.3 . 1 . . . . 23 TRP CB . 6645 1 226 . 1 1 23 23 TRP N N 15 123.22 0.5 . 1 . . . . 23 TRP N . 6645 1 227 . 1 1 24 24 PRO HA H 1 4.58 0.01 . 1 . . . . 24 PRO HA . 6645 1 228 . 1 1 24 24 PRO HB2 H 1 2.56 0.01 . 2 . . . . 24 PRO HB2 . 6645 1 229 . 1 1 24 24 PRO HB3 H 1 2.02 0.01 . 2 . . . . 24 PRO HB3 . 6645 1 230 . 1 1 24 24 PRO HG2 H 1 2.31 0.01 . 1 . . . . 24 PRO HG2 . 6645 1 231 . 1 1 24 24 PRO HG3 H 1 2.31 0.01 . 1 . . . . 24 PRO HG3 . 6645 1 232 . 1 1 24 24 PRO HD2 H 1 3.59 0.01 . 2 . . . . 24 PRO HD2 . 6645 1 233 . 1 1 24 24 PRO HD3 H 1 3.76 0.01 . 2 . . . . 24 PRO HD3 . 6645 1 234 . 1 1 24 24 PRO C C 13 176.59 0.3 . 1 . . . . 24 PRO C . 6645 1 235 . 1 1 24 24 PRO CA C 13 62.59 0.3 . 1 . . . . 24 PRO CA . 6645 1 236 . 1 1 24 24 PRO CB C 13 31.40 0.3 . 1 . . . . 24 PRO CB . 6645 1 237 . 1 1 24 24 PRO CG C 13 25.32 0.3 . 1 . . . . 24 PRO CG . 6645 1 238 . 1 1 24 24 PRO CD C 13 51.50 0.3 . 1 . . . . 24 PRO CD . 6645 1 239 . 1 1 25 25 SER H H 1 8.29 0.01 . 1 . . . . 25 SER H . 6645 1 240 . 1 1 25 25 SER HA H 1 4.27 0.01 . 1 . . . . 25 SER HA . 6645 1 241 . 1 1 25 25 SER HB2 H 1 4.00 0.01 . 1 . . . . 25 SER HB2 . 6645 1 242 . 1 1 25 25 SER HB3 H 1 4.00 0.01 . 1 . . . . 25 SER HB3 . 6645 1 243 . 1 1 25 25 SER C C 13 174.66 0.3 . 1 . . . . 25 SER C . 6645 1 244 . 1 1 25 25 SER CA C 13 59.54 0.3 . 1 . . . . 25 SER CA . 6645 1 245 . 1 1 25 25 SER CB C 13 63.39 0.3 . 1 . . . . 25 SER CB . 6645 1 246 . 1 1 25 25 SER N N 15 115.72 0.5 . 1 . . . . 25 SER N . 6645 1 247 . 1 1 26 26 ILE H H 1 8.99 0.01 . 1 . . . . 26 ILE H . 6645 1 248 . 1 1 26 26 ILE HA H 1 4.55 0.01 . 1 . . . . 26 ILE HA . 6645 1 249 . 1 1 26 26 ILE HB H 1 2.03 0.01 . 1 . . . . 26 ILE HB . 6645 1 250 . 1 1 26 26 ILE HG12 H 1 1.27 0.01 . 1 . . . . 26 ILE HG12 . 6645 1 251 . 1 1 26 26 ILE HG13 H 1 1.27 0.01 . 1 . . . . 26 ILE HG13 . 6645 1 252 . 1 1 26 26 ILE HG21 H 1 0.90 0.01 . 1 . . . . 26 ILE HG2 . 6645 1 253 . 1 1 26 26 ILE HG22 H 1 0.90 0.01 . 1 . . . . 26 ILE HG2 . 6645 1 254 . 1 1 26 26 ILE HG23 H 1 0.90 0.01 . 1 . . . . 26 ILE HG2 . 6645 1 255 . 1 1 26 26 ILE HD11 H 1 0.86 0.01 . 1 . . . . 26 ILE HD1 . 6645 1 256 . 1 1 26 26 ILE HD12 H 1 0.86 0.01 . 1 . . . . 26 ILE HD1 . 6645 1 257 . 1 1 26 26 ILE HD13 H 1 0.86 0.01 . 1 . . . . 26 ILE HD1 . 6645 1 258 . 1 1 26 26 ILE CA C 13 58.70 0.3 . 1 . . . . 26 ILE CA . 6645 1 259 . 1 1 26 26 ILE CB C 13 39.10 0.3 . 1 . . . . 26 ILE CB . 6645 1 260 . 1 1 26 26 ILE CG1 C 13 26.56 0.3 . 2 . . . . 26 ILE CG1 . 6645 1 261 . 1 1 26 26 ILE CG2 C 13 16.84 0.3 . 1 . . . . 26 ILE CG2 . 6645 1 262 . 1 1 26 26 ILE CD1 C 13 14.24 0.3 . 1 . . . . 26 ILE CD1 . 6645 1 263 . 1 1 26 26 ILE N N 15 126.15 0.5 . 1 . . . . 26 ILE N . 6645 1 264 . 1 1 27 27 PRO HA H 1 4.47 0.01 . 1 . . . . 27 PRO HA . 6645 1 265 . 1 1 27 27 PRO HB2 H 1 2.23 0.01 . 1 . . . . 27 PRO HB2 . 6645 1 266 . 1 1 27 27 PRO HB3 H 1 2.23 0.01 . 1 . . . . 27 PRO HB3 . 6645 1 267 . 1 1 27 27 PRO HG2 H 1 1.77 0.01 . 1 . . . . 27 PRO HG2 . 6645 1 268 . 1 1 27 27 PRO HG3 H 1 1.77 0.01 . 1 . . . . 27 PRO HG3 . 6645 1 269 . 1 1 27 27 PRO HD2 H 1 3.95 0.01 . 1 . . . . 27 PRO HD2 . 6645 1 270 . 1 1 27 27 PRO HD3 H 1 3.95 0.01 . 1 . . . . 27 PRO HD3 . 6645 1 271 . 1 1 27 27 PRO C C 13 179.18 0.3 . 1 . . . . 27 PRO C . 6645 1 272 . 1 1 27 27 PRO CA C 13 64.89 0.3 . 1 . . . . 27 PRO CA . 6645 1 273 . 1 1 27 27 PRO CB C 13 28.20 0.3 . 1 . . . . 27 PRO CB . 6645 1 274 . 1 1 27 27 PRO CG C 13 26.05 0.3 . 1 . . . . 27 PRO CG . 6645 1 275 . 1 1 27 27 PRO CD C 13 51.10 0.3 . 1 . . . . 27 PRO CD . 6645 1 276 . 1 1 28 28 ALA H H 1 9.01 0.01 . 1 . . . . 28 ALA H . 6645 1 277 . 1 1 28 28 ALA HA H 1 4.22 0.01 . 1 . . . . 28 ALA HA . 6645 1 278 . 1 1 28 28 ALA HB1 H 1 1.94 0.01 . 1 . . . . 28 ALA HB . 6645 1 279 . 1 1 28 28 ALA HB2 H 1 1.94 0.01 . 1 . . . . 28 ALA HB . 6645 1 280 . 1 1 28 28 ALA HB3 H 1 1.94 0.01 . 1 . . . . 28 ALA HB . 6645 1 281 . 1 1 28 28 ALA C C 13 180.71 0.3 . 1 . . . . 28 ALA C . 6645 1 282 . 1 1 28 28 ALA CA C 13 54.94 0.3 . 1 . . . . 28 ALA CA . 6645 1 283 . 1 1 28 28 ALA CB C 13 19.05 0.3 . 1 . . . . 28 ALA CB . 6645 1 284 . 1 1 28 28 ALA N N 15 117.97 0.5 . 1 . . . . 28 ALA N . 6645 1 285 . 1 1 29 29 ASP H H 1 7.68 0.01 . 1 . . . . 29 ASP H . 6645 1 286 . 1 1 29 29 ASP HA H 1 4.45 0.01 . 1 . . . . 29 ASP HA . 6645 1 287 . 1 1 29 29 ASP HB2 H 1 2.48 0.01 . 1 . . . . 29 ASP HB2 . 6645 1 288 . 1 1 29 29 ASP HB3 H 1 2.48 0.01 . 1 . . . . 29 ASP HB3 . 6645 1 289 . 1 1 29 29 ASP C C 13 177.23 0.3 . 1 . . . . 29 ASP C . 6645 1 290 . 1 1 29 29 ASP CA C 13 56.21 0.3 . 1 . . . . 29 ASP CA . 6645 1 291 . 1 1 29 29 ASP CB C 13 38.85 0.3 . 1 . . . . 29 ASP CB . 6645 1 292 . 1 1 29 29 ASP N N 15 119.25 0.5 . 1 . . . . 29 ASP N . 6645 1 293 . 1 1 30 30 LYS H H 1 7.58 0.01 . 1 . . . . 30 LYS H . 6645 1 294 . 1 1 30 30 LYS HA H 1 4.22 0.01 . 1 . . . . 30 LYS HA . 6645 1 295 . 1 1 30 30 LYS HB2 H 1 2.04 0.01 . 2 . . . . 30 LYS HB2 . 6645 1 296 . 1 1 30 30 LYS HB3 H 1 1.87 0.01 . 2 . . . . 30 LYS HB3 . 6645 1 297 . 1 1 30 30 LYS HG2 H 1 1.65 0.01 . 1 . . . . 30 LYS HG2 . 6645 1 298 . 1 1 30 30 LYS HG3 H 1 1.65 0.01 . 1 . . . . 30 LYS HG3 . 6645 1 299 . 1 1 30 30 LYS HD2 H 1 2.02 0.01 . 1 . . . . 30 LYS HD2 . 6645 1 300 . 1 1 30 30 LYS HD3 H 1 2.02 0.01 . 1 . . . . 30 LYS HD3 . 6645 1 301 . 1 1 30 30 LYS HE2 H 1 3.17 0.01 . 1 . . . . 30 LYS HE2 . 6645 1 302 . 1 1 30 30 LYS HE3 H 1 3.17 0.01 . 1 . . . . 30 LYS HE3 . 6645 1 303 . 1 1 30 30 LYS C C 13 178.60 0.3 . 1 . . . . 30 LYS C . 6645 1 304 . 1 1 30 30 LYS CA C 13 59.05 0.3 . 1 . . . . 30 LYS CA . 6645 1 305 . 1 1 30 30 LYS CB C 13 31.30 0.3 . 1 . . . . 30 LYS CB . 6645 1 306 . 1 1 30 30 LYS CG C 13 26.26 0.3 . 1 . . . . 30 LYS CG . 6645 1 307 . 1 1 30 30 LYS N N 15 119.29 0.5 . 1 . . . . 30 LYS N . 6645 1 308 . 1 1 31 31 LYS H H 1 8.15 0.01 . 1 . . . . 31 LYS H . 6645 1 309 . 1 1 31 31 LYS HA H 1 3.55 0.01 . 1 . . . . 31 LYS HA . 6645 1 310 . 1 1 31 31 LYS HB2 H 1 2.44 0.01 . 1 . . . . 31 LYS HB2 . 6645 1 311 . 1 1 31 31 LYS HB3 H 1 2.44 0.01 . 1 . . . . 31 LYS HB3 . 6645 1 312 . 1 1 31 31 LYS HG2 H 1 2.01 0.01 . 1 . . . . 31 LYS HG2 . 6645 1 313 . 1 1 31 31 LYS HG3 H 1 2.01 0.01 . 1 . . . . 31 LYS HG3 . 6645 1 314 . 1 1 31 31 LYS HD2 H 1 2.16 0.01 . 1 . . . . 31 LYS HD2 . 6645 1 315 . 1 1 31 31 LYS HD3 H 1 2.16 0.01 . 1 . . . . 31 LYS HD3 . 6645 1 316 . 1 1 31 31 LYS HE2 H 1 3.11 0.01 . 1 . . . . 31 LYS HE2 . 6645 1 317 . 1 1 31 31 LYS HE3 H 1 3.11 0.01 . 1 . . . . 31 LYS HE3 . 6645 1 318 . 1 1 31 31 LYS C C 13 179.68 0.3 . 1 . . . . 31 LYS C . 6645 1 319 . 1 1 31 31 LYS CA C 13 59.15 0.3 . 1 . . . . 31 LYS CA . 6645 1 320 . 1 1 31 31 LYS CB C 13 32.09 0.3 . 1 . . . . 31 LYS CB . 6645 1 321 . 1 1 31 31 LYS CG C 13 22.85 0.3 . 1 . . . . 31 LYS CG . 6645 1 322 . 1 1 31 31 LYS CD C 13 26.86 0.3 . 1 . . . . 31 LYS CD . 6645 1 323 . 1 1 31 31 LYS CE C 13 41.02 0.3 . 1 . . . . 31 LYS CE . 6645 1 324 . 1 1 31 31 LYS N N 15 116.05 0.5 . 1 . . . . 31 LYS N . 6645 1 325 . 1 1 32 32 GLN H H 1 7.72 0.01 . 1 . . . . 32 GLN H . 6645 1 326 . 1 1 32 32 GLN HA H 1 3.66 0.01 . 1 . . . . 32 GLN HA . 6645 1 327 . 1 1 32 32 GLN HB2 H 1 1.73 0.01 . 2 . . . . 32 GLN HB2 . 6645 1 328 . 1 1 32 32 GLN HB3 H 1 1.96 0.01 . 2 . . . . 32 GLN HB3 . 6645 1 329 . 1 1 32 32 GLN HG2 H 1 2.77 0.01 . 1 . . . . 32 GLN HG2 . 6645 1 330 . 1 1 32 32 GLN HG3 H 1 2.77 0.01 . 1 . . . . 32 GLN HG3 . 6645 1 331 . 1 1 32 32 GLN C C 13 177.70 0.3 . 1 . . . . 32 GLN C . 6645 1 332 . 1 1 32 32 GLN CA C 13 58.12 0.3 . 1 . . . . 32 GLN CA . 6645 1 333 . 1 1 32 32 GLN CB C 13 31.58 0.3 . 1 . . . . 32 GLN CB . 6645 1 334 . 1 1 32 32 GLN CG C 13 29.89 0.3 . 1 . . . . 32 GLN CG . 6645 1 335 . 1 1 32 32 GLN N N 15 118.35 0.5 . 1 . . . . 32 GLN N . 6645 1 336 . 1 1 33 33 TYR H H 1 8.52 0.01 . 1 . . . . 33 TYR H . 6645 1 337 . 1 1 33 33 TYR HA H 1 4.14 0.01 . 1 . . . . 33 TYR HA . 6645 1 338 . 1 1 33 33 TYR HB2 H 1 3.28 0.01 . 2 . . . . 33 TYR HB2 . 6645 1 339 . 1 1 33 33 TYR HB3 H 1 3.23 0.01 . 2 . . . . 33 TYR HB3 . 6645 1 340 . 1 1 33 33 TYR C C 13 176.23 0.3 . 1 . . . . 33 TYR C . 6645 1 341 . 1 1 33 33 TYR CA C 13 60.35 0.3 . 1 . . . . 33 TYR CA . 6645 1 342 . 1 1 33 33 TYR CB C 13 37.74 0.3 . 1 . . . . 33 TYR CB . 6645 1 343 . 1 1 33 33 TYR N N 15 124.14 0.5 . 1 . . . . 33 TYR N . 6645 1 344 . 1 1 34 34 ARG H H 1 8.17 0.01 . 1 . . . . 34 ARG H . 6645 1 345 . 1 1 34 34 ARG HA H 1 4.36 0.01 . 1 . . . . 34 ARG HA . 6645 1 346 . 1 1 34 34 ARG HB2 H 1 2.02 0.01 . 1 . . . . 34 ARG HB2 . 6645 1 347 . 1 1 34 34 ARG HB3 H 1 2.02 0.01 . 1 . . . . 34 ARG HB3 . 6645 1 348 . 1 1 34 34 ARG HG2 H 1 1.76 0.01 . 1 . . . . 34 ARG HG2 . 6645 1 349 . 1 1 34 34 ARG HG3 H 1 1.76 0.01 . 1 . . . . 34 ARG HG3 . 6645 1 350 . 1 1 34 34 ARG HD2 H 1 3.44 0.01 . 1 . . . . 34 ARG HD2 . 6645 1 351 . 1 1 34 34 ARG HD3 H 1 3.44 0.01 . 1 . . . . 34 ARG HD3 . 6645 1 352 . 1 1 34 34 ARG C C 13 179.50 0.3 . 1 . . . . 34 ARG C . 6645 1 353 . 1 1 34 34 ARG CA C 13 57.60 0.3 . 1 . . . . 34 ARG CA . 6645 1 354 . 1 1 34 34 ARG CB C 13 28.33 0.3 . 1 . . . . 34 ARG CB . 6645 1 355 . 1 1 34 34 ARG CG C 13 27.35 0.3 . 1 . . . . 34 ARG CG . 6645 1 356 . 1 1 34 34 ARG CD C 13 41.50 0.3 . 1 . . . . 34 ARG CD . 6645 1 357 . 1 1 34 34 ARG N N 15 116.85 0.5 . 1 . . . . 34 ARG N . 6645 1 358 . 1 1 35 35 SER H H 1 7.83 0.01 . 1 . . . . 35 SER H . 6645 1 359 . 1 1 35 35 SER HA H 1 4.11 0.01 . 1 . . . . 35 SER HA . 6645 1 360 . 1 1 35 35 SER HB2 H 1 3.71 0.01 . 1 . . . . 35 SER HB2 . 6645 1 361 . 1 1 35 35 SER HB3 H 1 3.71 0.01 . 1 . . . . 35 SER HB3 . 6645 1 362 . 1 1 35 35 SER C C 13 176.75 0.3 . 1 . . . . 35 SER C . 6645 1 363 . 1 1 35 35 SER CA C 13 60.78 0.3 . 1 . . . . 35 SER CA . 6645 1 364 . 1 1 35 35 SER CB C 13 63.07 0.3 . 1 . . . . 35 SER CB . 6645 1 365 . 1 1 35 35 SER N N 15 111.85 0.5 . 1 . . . . 35 SER N . 6645 1 366 . 1 1 36 36 ARG H H 1 8.13 0.01 . 1 . . . . 36 ARG H . 6645 1 367 . 1 1 36 36 ARG HA H 1 4.40 0.01 . 1 . . . . 36 ARG HA . 6645 1 368 . 1 1 36 36 ARG HB2 H 1 1.82 0.01 . 2 . . . . 36 ARG HB2 . 6645 1 369 . 1 1 36 36 ARG HB3 H 1 2.06 0.01 . 2 . . . . 36 ARG HB3 . 6645 1 370 . 1 1 36 36 ARG HG2 H 1 1.16 0.01 . 1 . . . . 36 ARG HG2 . 6645 1 371 . 1 1 36 36 ARG HG3 H 1 1.16 0.01 . 1 . . . . 36 ARG HG3 . 6645 1 372 . 1 1 36 36 ARG HD2 H 1 3.21 0.01 . 1 . . . . 36 ARG HD2 . 6645 1 373 . 1 1 36 36 ARG HD3 H 1 3.21 0.01 . 1 . . . . 36 ARG HD3 . 6645 1 374 . 1 1 36 36 ARG C C 13 177.99 0.3 . 1 . . . . 36 ARG C . 6645 1 375 . 1 1 36 36 ARG CA C 13 58.47 0.3 . 1 . . . . 36 ARG CA . 6645 1 376 . 1 1 36 36 ARG CB C 13 29.89 0.3 . 1 . . . . 36 ARG CB . 6645 1 377 . 1 1 36 36 ARG CG C 13 26.79 0.3 . 1 . . . . 36 ARG CG . 6645 1 378 . 1 1 36 36 ARG CD C 13 42.19 0.3 . 1 . . . . 36 ARG CD . 6645 1 379 . 1 1 36 36 ARG N N 15 121.54 0.5 . 1 . . . . 36 ARG N . 6645 1 380 . 1 1 37 37 VAL H H 1 6.93 0.01 . 1 . . . . 37 VAL H . 6645 1 381 . 1 1 37 37 VAL HA H 1 4.15 0.01 . 1 . . . . 37 VAL HA . 6645 1 382 . 1 1 37 37 VAL HB H 1 1.38 0.01 . 1 . . . . 37 VAL HB . 6645 1 383 . 1 1 37 37 VAL HG11 H 1 0.15 0.01 . 2 . . . . 37 VAL HG1 . 6645 1 384 . 1 1 37 37 VAL HG12 H 1 0.15 0.01 . 2 . . . . 37 VAL HG1 . 6645 1 385 . 1 1 37 37 VAL HG13 H 1 0.15 0.01 . 2 . . . . 37 VAL HG1 . 6645 1 386 . 1 1 37 37 VAL HG21 H 1 0.55 0.01 . 2 . . . . 37 VAL HG2 . 6645 1 387 . 1 1 37 37 VAL HG22 H 1 0.55 0.01 . 2 . . . . 37 VAL HG2 . 6645 1 388 . 1 1 37 37 VAL HG23 H 1 0.55 0.01 . 2 . . . . 37 VAL HG2 . 6645 1 389 . 1 1 37 37 VAL C C 13 175.89 0.3 . 1 . . . . 37 VAL C . 6645 1 390 . 1 1 37 37 VAL CA C 13 60.66 0.3 . 1 . . . . 37 VAL CA . 6645 1 391 . 1 1 37 37 VAL CB C 13 30.15 0.3 . 1 . . . . 37 VAL CB . 6645 1 392 . 1 1 37 37 VAL CG1 C 13 14.77 0.3 . 2 . . . . 37 VAL CG1 . 6645 1 393 . 1 1 37 37 VAL CG2 C 13 14.33 0.3 . 2 . . . . 37 VAL CG2 . 6645 1 394 . 1 1 37 37 VAL N N 15 107.75 0.5 . 1 . . . . 37 VAL N . 6645 1 395 . 1 1 38 38 ALA H H 1 6.83 0.01 . 1 . . . . 38 ALA H . 6645 1 396 . 1 1 38 38 ALA HA H 1 4.12 0.01 . 1 . . . . 38 ALA HA . 6645 1 397 . 1 1 38 38 ALA HB1 H 1 1.64 0.01 . 1 . . . . 38 ALA HB . 6645 1 398 . 1 1 38 38 ALA HB2 H 1 1.64 0.01 . 1 . . . . 38 ALA HB . 6645 1 399 . 1 1 38 38 ALA HB3 H 1 1.64 0.01 . 1 . . . . 38 ALA HB . 6645 1 400 . 1 1 38 38 ALA C C 13 178.35 0.3 . 1 . . . . 38 ALA C . 6645 1 401 . 1 1 38 38 ALA CA C 13 55.38 0.3 . 1 . . . . 38 ALA CA . 6645 1 402 . 1 1 38 38 ALA CB C 13 19.54 0.3 . 1 . . . . 38 ALA CB . 6645 1 403 . 1 1 38 38 ALA N N 15 119.01 0.5 . 1 . . . . 38 ALA N . 6645 1 404 . 1 1 39 39 ASP H H 1 8.74 0.01 . 1 . . . . 39 ASP H . 6645 1 405 . 1 1 39 39 ASP HA H 1 5.08 0.01 . 1 . . . . 39 ASP HA . 6645 1 406 . 1 1 39 39 ASP HB2 H 1 3.12 0.01 . 2 . . . . 39 ASP HB2 . 6645 1 407 . 1 1 39 39 ASP HB3 H 1 2.64 0.01 . 2 . . . . 39 ASP HB3 . 6645 1 408 . 1 1 39 39 ASP C C 13 174.92 0.3 . 1 . . . . 39 ASP C . 6645 1 409 . 1 1 39 39 ASP CA C 13 53.83 0.3 . 1 . . . . 39 ASP CA . 6645 1 410 . 1 1 39 39 ASP CB C 13 42.60 0.3 . 1 . . . . 39 ASP CB . 6645 1 411 . 1 1 39 39 ASP N N 15 113.31 0.5 . 1 . . . . 39 ASP N . 6645 1 412 . 1 1 40 40 ASP H H 1 7.91 0.01 . 1 . . . . 40 ASP H . 6645 1 413 . 1 1 40 40 ASP HA H 1 4.82 0.01 . 1 . . . . 40 ASP HA . 6645 1 414 . 1 1 40 40 ASP HB2 H 1 2.75 0.01 . 1 . . . . 40 ASP HB2 . 6645 1 415 . 1 1 40 40 ASP HB3 H 1 2.75 0.01 . 1 . . . . 40 ASP HB3 . 6645 1 416 . 1 1 40 40 ASP CA C 13 53.90 0.3 . 1 . . . . 40 ASP CA . 6645 1 417 . 1 1 40 40 ASP CB C 13 44.80 0.3 . 1 . . . . 40 ASP CB . 6645 1 418 . 1 1 40 40 ASP N N 15 122.14 0.5 . 1 . . . . 40 ASP N . 6645 1 419 . 1 1 41 41 PRO HA H 1 5.11 0.01 . 1 . . . . 41 PRO HA . 6645 1 420 . 1 1 41 41 PRO HB2 H 1 2.25 0.01 . 2 . . . . 41 PRO HB2 . 6645 1 421 . 1 1 41 41 PRO HB3 H 1 1.97 0.01 . 2 . . . . 41 PRO HB3 . 6645 1 422 . 1 1 41 41 PRO HG2 H 1 1.56 0.01 . 2 . . . . 41 PRO HG2 . 6645 1 423 . 1 1 41 41 PRO HG3 H 1 1.27 0.01 . 2 . . . . 41 PRO HG3 . 6645 1 424 . 1 1 41 41 PRO HD2 H 1 3.75 0.01 . 1 . . . . 41 PRO HD2 . 6645 1 425 . 1 1 41 41 PRO HD3 H 1 3.75 0.01 . 1 . . . . 41 PRO HD3 . 6645 1 426 . 1 1 41 41 PRO C C 13 175.74 0.3 . 1 . . . . 41 PRO C . 6645 1 427 . 1 1 41 41 PRO CA C 13 62.72 0.3 . 1 . . . . 41 PRO CA . 6645 1 428 . 1 1 41 41 PRO CB C 13 31.10 0.3 . 1 . . . . 41 PRO CB . 6645 1 429 . 1 1 41 41 PRO CG C 13 26.45 0.3 . 1 . . . . 41 PRO CG . 6645 1 430 . 1 1 41 41 PRO CD C 13 49.26 0.3 . 1 . . . . 41 PRO CD . 6645 1 431 . 1 1 42 42 VAL H H 1 8.54 0.01 . 1 . . . . 42 VAL H . 6645 1 432 . 1 1 42 42 VAL HA H 1 5.80 0.01 . 1 . . . . 42 VAL HA . 6645 1 433 . 1 1 42 42 VAL HB H 1 2.23 0.01 . 1 . . . . 42 VAL HB . 6645 1 434 . 1 1 42 42 VAL HG11 H 1 1.09 0.01 . 2 . . . . 42 VAL HG1 . 6645 1 435 . 1 1 42 42 VAL HG12 H 1 1.09 0.01 . 2 . . . . 42 VAL HG1 . 6645 1 436 . 1 1 42 42 VAL HG13 H 1 1.09 0.01 . 2 . . . . 42 VAL HG1 . 6645 1 437 . 1 1 42 42 VAL HG21 H 1 0.88 0.01 . 2 . . . . 42 VAL HG2 . 6645 1 438 . 1 1 42 42 VAL HG22 H 1 0.88 0.01 . 2 . . . . 42 VAL HG2 . 6645 1 439 . 1 1 42 42 VAL HG23 H 1 0.88 0.01 . 2 . . . . 42 VAL HG2 . 6645 1 440 . 1 1 42 42 VAL C C 13 174.19 0.3 . 1 . . . . 42 VAL C . 6645 1 441 . 1 1 42 42 VAL CA C 13 57.86 0.3 . 1 . . . . 42 VAL CA . 6645 1 442 . 1 1 42 42 VAL CB C 13 34.22 0.3 . 1 . . . . 42 VAL CB . 6645 1 443 . 1 1 42 42 VAL CG1 C 13 22.48 0.3 . 2 . . . . 42 VAL CG1 . 6645 1 444 . 1 1 42 42 VAL CG2 C 13 20.48 0.3 . 2 . . . . 42 VAL CG2 . 6645 1 445 . 1 1 42 42 VAL N N 15 114.27 0.5 . 1 . . . . 42 VAL N . 6645 1 446 . 1 1 43 43 VAL H H 1 9.64 0.01 . 1 . . . . 43 VAL H . 6645 1 447 . 1 1 43 43 VAL HA H 1 5.22 0.01 . 1 . . . . 43 VAL HA . 6645 1 448 . 1 1 43 43 VAL HB H 1 1.64 0.01 . 1 . . . . 43 VAL HB . 6645 1 449 . 1 1 43 43 VAL HG11 H 1 0.69 0.01 . 2 . . . . 43 VAL HG1 . 6645 1 450 . 1 1 43 43 VAL HG12 H 1 0.69 0.01 . 2 . . . . 43 VAL HG1 . 6645 1 451 . 1 1 43 43 VAL HG13 H 1 0.69 0.01 . 2 . . . . 43 VAL HG1 . 6645 1 452 . 1 1 43 43 VAL HG21 H 1 0.71 0.01 . 2 . . . . 43 VAL HG2 . 6645 1 453 . 1 1 43 43 VAL HG22 H 1 0.71 0.01 . 2 . . . . 43 VAL HG2 . 6645 1 454 . 1 1 43 43 VAL HG23 H 1 0.71 0.01 . 2 . . . . 43 VAL HG2 . 6645 1 455 . 1 1 43 43 VAL C C 13 174.58 0.3 . 1 . . . . 43 VAL C . 6645 1 456 . 1 1 43 43 VAL CA C 13 60.38 0.3 . 1 . . . . 43 VAL CA . 6645 1 457 . 1 1 43 43 VAL CB C 13 32.45 0.3 . 1 . . . . 43 VAL CB . 6645 1 458 . 1 1 43 43 VAL CG1 C 13 21.86 0.3 . 2 . . . . 43 VAL CG1 . 6645 1 459 . 1 1 43 43 VAL CG2 C 13 20.80 0.3 . 2 . . . . 43 VAL CG2 . 6645 1 460 . 1 1 43 43 VAL N N 15 124.99 0.5 . 1 . . . . 43 VAL N . 6645 1 461 . 1 1 44 44 LEU H H 1 8.93 0.01 . 1 . . . . 44 LEU H . 6645 1 462 . 1 1 44 44 LEU HA H 1 5.66 0.01 . 1 . . . . 44 LEU HA . 6645 1 463 . 1 1 44 44 LEU HB2 H 1 1.96 0.01 . 1 . . . . 44 LEU HB2 . 6645 1 464 . 1 1 44 44 LEU HB3 H 1 1.96 0.01 . 1 . . . . 44 LEU HB3 . 6645 1 465 . 1 1 44 44 LEU HG H 1 1.31 0.01 . 1 . . . . 44 LEU HG . 6645 1 466 . 1 1 44 44 LEU HD11 H 1 0.92 0.01 . 2 . . . . 44 LEU HD1 . 6645 1 467 . 1 1 44 44 LEU HD12 H 1 0.92 0.01 . 2 . . . . 44 LEU HD1 . 6645 1 468 . 1 1 44 44 LEU HD13 H 1 0.92 0.01 . 2 . . . . 44 LEU HD1 . 6645 1 469 . 1 1 44 44 LEU HD21 H 1 0.98 0.01 . 2 . . . . 44 LEU HD2 . 6645 1 470 . 1 1 44 44 LEU HD22 H 1 0.98 0.01 . 2 . . . . 44 LEU HD2 . 6645 1 471 . 1 1 44 44 LEU HD23 H 1 0.98 0.01 . 2 . . . . 44 LEU HD2 . 6645 1 472 . 1 1 44 44 LEU C C 13 175.59 0.3 . 1 . . . . 44 LEU C . 6645 1 473 . 1 1 44 44 LEU CA C 13 53.45 0.3 . 1 . . . . 44 LEU CA . 6645 1 474 . 1 1 44 44 LEU CB C 13 43.82 0.3 . 1 . . . . 44 LEU CB . 6645 1 475 . 1 1 44 44 LEU CG C 13 27.10 0.3 . 1 . . . . 44 LEU CG . 6645 1 476 . 1 1 44 44 LEU CD1 C 13 18.64 0.3 . 2 . . . . 44 LEU CD1 . 6645 1 477 . 1 1 44 44 LEU CD2 C 13 18.95 0.3 . 2 . . . . 44 LEU CD2 . 6645 1 478 . 1 1 44 44 LEU N N 15 125.37 0.5 . 1 . . . . 44 LEU N . 6645 1 479 . 1 1 45 45 GLY H H 1 8.86 0.01 . 1 . . . . 45 GLY H . 6645 1 480 . 1 1 45 45 GLY HA2 H 1 4.44 0.01 . 2 . . . . 45 GLY HA2 . 6645 1 481 . 1 1 45 45 GLY HA3 H 1 4.82 0.01 . 2 . . . . 45 GLY HA3 . 6645 1 482 . 1 1 45 45 GLY C C 13 174.74 0.3 . 1 . . . . 45 GLY C . 6645 1 483 . 1 1 45 45 GLY CA C 13 44.90 0.3 . 1 . . . . 45 GLY CA . 6645 1 484 . 1 1 45 45 GLY N N 15 107.12 0.5 . 1 . . . . 45 GLY N . 6645 1 485 . 1 1 46 46 ARG H H 1 8.74 0.01 . 1 . . . . 46 ARG H . 6645 1 486 . 1 1 46 46 ARG HA H 1 4.35 0.01 . 1 . . . . 46 ARG HA . 6645 1 487 . 1 1 46 46 ARG HB2 H 1 2.30 0.01 . 2 . . . . 46 ARG HB2 . 6645 1 488 . 1 1 46 46 ARG HB3 H 1 2.07 0.01 . 2 . . . . 46 ARG HB3 . 6645 1 489 . 1 1 46 46 ARG HG2 H 1 1.94 0.01 . 1 . . . . 46 ARG HG2 . 6645 1 490 . 1 1 46 46 ARG HG3 H 1 1.94 0.01 . 1 . . . . 46 ARG HG3 . 6645 1 491 . 1 1 46 46 ARG HD2 H 1 3.53 0.01 . 1 . . . . 46 ARG HD2 . 6645 1 492 . 1 1 46 46 ARG HD3 H 1 3.53 0.01 . 1 . . . . 46 ARG HD3 . 6645 1 493 . 1 1 46 46 ARG C C 13 176.37 0.3 . 1 . . . . 46 ARG C . 6645 1 494 . 1 1 46 46 ARG CA C 13 60.27 0.3 . 1 . . . . 46 ARG CA . 6645 1 495 . 1 1 46 46 ARG CB C 13 30.00 0.3 . 1 . . . . 46 ARG CB . 6645 1 496 . 1 1 46 46 ARG CG C 13 27.45 0.3 . 1 . . . . 46 ARG CG . 6645 1 497 . 1 1 46 46 ARG CD C 13 43.70 0.3 . 1 . . . . 46 ARG CD . 6645 1 498 . 1 1 46 46 ARG N N 15 120.29 0.5 . 1 . . . . 46 ARG N . 6645 1 499 . 1 1 47 47 THR H H 1 8.80 0.01 . 1 . . . . 47 THR H . 6645 1 500 . 1 1 47 47 THR HA H 1 4.29 0.01 . 1 . . . . 47 THR HA . 6645 1 501 . 1 1 47 47 THR HB H 1 4.05 0.01 . 1 . . . . 47 THR HB . 6645 1 502 . 1 1 47 47 THR HG21 H 1 1.48 0.01 . 1 . . . . 47 THR HG2 . 6645 1 503 . 1 1 47 47 THR HG22 H 1 1.48 0.01 . 1 . . . . 47 THR HG2 . 6645 1 504 . 1 1 47 47 THR HG23 H 1 1.48 0.01 . 1 . . . . 47 THR HG2 . 6645 1 505 . 1 1 47 47 THR C C 13 177.34 0.3 . 1 . . . . 47 THR C . 6645 1 506 . 1 1 47 47 THR CA C 13 66.88 0.3 . 1 . . . . 47 THR CA . 6645 1 507 . 1 1 47 47 THR CB C 13 67.65 0.3 . 1 . . . . 47 THR CB . 6645 1 508 . 1 1 47 47 THR CG2 C 13 21.82 0.3 . 1 . . . . 47 THR CG2 . 6645 1 509 . 1 1 47 47 THR N N 15 116.06 0.5 . 1 . . . . 47 THR N . 6645 1 510 . 1 1 48 48 THR H H 1 8.14 0.01 . 1 . . . . 48 THR H . 6645 1 511 . 1 1 48 48 THR HA H 1 4.10 0.01 . 1 . . . . 48 THR HA . 6645 1 512 . 1 1 48 48 THR HB H 1 4.27 0.01 . 1 . . . . 48 THR HB . 6645 1 513 . 1 1 48 48 THR HG21 H 1 0.98 0.01 . 1 . . . . 48 THR HG2 . 6645 1 514 . 1 1 48 48 THR HG22 H 1 0.98 0.01 . 1 . . . . 48 THR HG2 . 6645 1 515 . 1 1 48 48 THR HG23 H 1 0.98 0.01 . 1 . . . . 48 THR HG2 . 6645 1 516 . 1 1 48 48 THR C C 13 175.99 0.3 . 1 . . . . 48 THR C . 6645 1 517 . 1 1 48 48 THR CA C 13 67.23 0.3 . 1 . . . . 48 THR CA . 6645 1 518 . 1 1 48 48 THR CB C 13 67.46 0.3 . 1 . . . . 48 THR CB . 6645 1 519 . 1 1 48 48 THR CG2 C 13 22.42 0.3 . 1 . . . . 48 THR CG2 . 6645 1 520 . 1 1 48 48 THR N N 15 122.45 0.5 . 1 . . . . 48 THR N . 6645 1 521 . 1 1 49 49 PHE H H 1 8.77 0.01 . 1 . . . . 49 PHE H . 6645 1 522 . 1 1 49 49 PHE HA H 1 4.05 0.01 . 1 . . . . 49 PHE HA . 6645 1 523 . 1 1 49 49 PHE HB2 H 1 3.51 0.01 . 2 . . . . 49 PHE HB2 . 6645 1 524 . 1 1 49 49 PHE HB3 H 1 3.00 0.01 . 2 . . . . 49 PHE HB3 . 6645 1 525 . 1 1 49 49 PHE C C 13 176.32 0.3 . 1 . . . . 49 PHE C . 6645 1 526 . 1 1 49 49 PHE CA C 13 62.34 0.3 . 1 . . . . 49 PHE CA . 6645 1 527 . 1 1 49 49 PHE CB C 13 38.93 0.3 . 1 . . . . 49 PHE CB . 6645 1 528 . 1 1 49 49 PHE N N 15 123.12 0.5 . 1 . . . . 49 PHE N . 6645 1 529 . 1 1 50 50 GLU H H 1 8.71 0.01 . 1 . . . . 50 GLU H . 6645 1 530 . 1 1 50 50 GLU HA H 1 3.99 0.01 . 1 . . . . 50 GLU HA . 6645 1 531 . 1 1 50 50 GLU HB2 H 1 2.31 0.01 . 1 . . . . 50 GLU HB2 . 6645 1 532 . 1 1 50 50 GLU HB3 H 1 2.31 0.01 . 1 . . . . 50 GLU HB3 . 6645 1 533 . 1 1 50 50 GLU HG2 H 1 2.73 0.01 . 1 . . . . 50 GLU HG2 . 6645 1 534 . 1 1 50 50 GLU HG3 H 1 2.73 0.01 . 1 . . . . 50 GLU HG3 . 6645 1 535 . 1 1 50 50 GLU C C 13 180.00 0.3 . 1 . . . . 50 GLU C . 6645 1 536 . 1 1 50 50 GLU CA C 13 59.00 0.3 . 1 . . . . 50 GLU CA . 6645 1 537 . 1 1 50 50 GLU CB C 13 28.62 0.3 . 1 . . . . 50 GLU CB . 6645 1 538 . 1 1 50 50 GLU CG C 13 31.35 0.3 . 1 . . . . 50 GLU CG . 6645 1 539 . 1 1 50 50 GLU N N 15 116.25 0.5 . 1 . . . . 50 GLU N . 6645 1 540 . 1 1 51 51 SER H H 1 8.11 0.01 . 1 . . . . 51 SER H . 6645 1 541 . 1 1 51 51 SER HA H 1 4.51 0.01 . 1 . . . . 51 SER HA . 6645 1 542 . 1 1 51 51 SER HB2 H 1 4.25 0.01 . 1 . . . . 51 SER HB2 . 6645 1 543 . 1 1 51 51 SER HB3 H 1 4.25 0.01 . 1 . . . . 51 SER HB3 . 6645 1 544 . 1 1 51 51 SER C C 13 175.60 0.3 . 1 . . . . 51 SER C . 6645 1 545 . 1 1 51 51 SER CA C 13 60.62 0.3 . 1 . . . . 51 SER CA . 6645 1 546 . 1 1 51 51 SER CB C 13 63.15 0.3 . 1 . . . . 51 SER CB . 6645 1 547 . 1 1 51 51 SER N N 15 114.33 0.5 . 1 . . . . 51 SER N . 6645 1 548 . 1 1 52 52 MET H H 1 7.71 0.01 . 1 . . . . 52 MET H . 6645 1 549 . 1 1 52 52 MET HA H 1 4.07 0.01 . 1 . . . . 52 MET HA . 6645 1 550 . 1 1 52 52 MET HB2 H 1 1.59 0.01 . 1 . . . . 52 MET HB2 . 6645 1 551 . 1 1 52 52 MET HB3 H 1 1.59 0.01 . 1 . . . . 52 MET HB3 . 6645 1 552 . 1 1 52 52 MET HG2 H 1 1.80 0.01 . 1 . . . . 52 MET HG2 . 6645 1 553 . 1 1 52 52 MET HG3 H 1 1.80 0.01 . 1 . . . . 52 MET HG3 . 6645 1 554 . 1 1 52 52 MET HE1 H 1 2.25 0.01 . 1 . . . . 52 MET HE . 6645 1 555 . 1 1 52 52 MET HE2 H 1 2.25 0.01 . 1 . . . . 52 MET HE . 6645 1 556 . 1 1 52 52 MET HE3 H 1 2.25 0.01 . 1 . . . . 52 MET HE . 6645 1 557 . 1 1 52 52 MET C C 13 176.93 0.3 . 1 . . . . 52 MET C . 6645 1 558 . 1 1 52 52 MET CA C 13 55.58 0.3 . 1 . . . . 52 MET CA . 6645 1 559 . 1 1 52 52 MET CB C 13 33.27 0.3 . 1 . . . . 52 MET CB . 6645 1 560 . 1 1 52 52 MET CE C 13 15.10 0.3 . 1 . . . . 52 MET CE . 6645 1 561 . 1 1 52 52 MET N N 15 119.05 0.5 . 1 . . . . 52 MET N . 6645 1 562 . 1 1 53 53 ARG H H 1 7.05 0.01 . 1 . . . . 53 ARG H . 6645 1 563 . 1 1 53 53 ARG HA H 1 4.31 0.01 . 1 . . . . 53 ARG HA . 6645 1 564 . 1 1 53 53 ARG HB2 H 1 1.89 0.01 . 2 . . . . 53 ARG HB2 . 6645 1 565 . 1 1 53 53 ARG HB3 H 1 1.81 0.01 . 2 . . . . 53 ARG HB3 . 6645 1 566 . 1 1 53 53 ARG HG2 H 1 1.63 0.01 . 1 . . . . 53 ARG HG2 . 6645 1 567 . 1 1 53 53 ARG HG3 H 1 1.63 0.01 . 1 . . . . 53 ARG HG3 . 6645 1 568 . 1 1 53 53 ARG HD2 H 1 3.29 0.01 . 1 . . . . 53 ARG HD2 . 6645 1 569 . 1 1 53 53 ARG HD3 H 1 3.29 0.01 . 1 . . . . 53 ARG HD3 . 6645 1 570 . 1 1 53 53 ARG C C 13 176.57 0.3 . 1 . . . . 53 ARG C . 6645 1 571 . 1 1 53 53 ARG CA C 13 58.97 0.3 . 1 . . . . 53 ARG CA . 6645 1 572 . 1 1 53 53 ARG CB C 13 29.82 0.3 . 1 . . . . 53 ARG CB . 6645 1 573 . 1 1 53 53 ARG CG C 13 26.80 0.3 . 1 . . . . 53 ARG CG . 6645 1 574 . 1 1 53 53 ARG CD C 13 43.33 0.3 . 1 . . . . 53 ARG CD . 6645 1 575 . 1 1 53 53 ARG N N 15 119.26 0.5 . 1 . . . . 53 ARG N . 6645 1 576 . 1 1 54 54 ASP H H 1 8.54 0.01 . 1 . . . . 54 ASP H . 6645 1 577 . 1 1 54 54 ASP HA H 1 4.40 0.01 . 1 . . . . 54 ASP HA . 6645 1 578 . 1 1 54 54 ASP HB2 H 1 2.68 0.01 . 1 . . . . 54 ASP HB2 . 6645 1 579 . 1 1 54 54 ASP HB3 H 1 2.68 0.01 . 1 . . . . 54 ASP HB3 . 6645 1 580 . 1 1 54 54 ASP C C 13 175.86 0.3 . 1 . . . . 54 ASP C . 6645 1 581 . 1 1 54 54 ASP CA C 13 54.94 0.3 . 1 . . . . 54 ASP CA . 6645 1 582 . 1 1 54 54 ASP CB C 13 40.24 0.3 . 1 . . . . 54 ASP CB . 6645 1 583 . 1 1 54 54 ASP N N 15 116.32 0.5 . 1 . . . . 54 ASP N . 6645 1 584 . 1 1 55 55 ASP H H 1 8.22 0.01 . 1 . . . . 55 ASP H . 6645 1 585 . 1 1 55 55 ASP HA H 1 4.79 0.01 . 1 . . . . 55 ASP HA . 6645 1 586 . 1 1 55 55 ASP HB2 H 1 3.43 0.01 . 1 . . . . 55 ASP HB2 . 6645 1 587 . 1 1 55 55 ASP HB3 H 1 3.43 0.01 . 1 . . . . 55 ASP HB3 . 6645 1 588 . 1 1 55 55 ASP C C 13 174.96 0.3 . 1 . . . . 55 ASP C . 6645 1 589 . 1 1 55 55 ASP CA C 13 53.57 0.3 . 1 . . . . 55 ASP CA . 6645 1 590 . 1 1 55 55 ASP CB C 13 40.03 0.3 . 1 . . . . 55 ASP CB . 6645 1 591 . 1 1 55 55 ASP N N 15 121.15 0.5 . 1 . . . . 55 ASP N . 6645 1 592 . 1 1 56 56 LEU H H 1 8.69 0.01 . 1 . . . . 56 LEU H . 6645 1 593 . 1 1 56 56 LEU HA H 1 4.38 0.01 . 1 . . . . 56 LEU HA . 6645 1 594 . 1 1 56 56 LEU HB2 H 1 1.82 0.01 . 1 . . . . 56 LEU HB2 . 6645 1 595 . 1 1 56 56 LEU HB3 H 1 1.82 0.01 . 1 . . . . 56 LEU HB3 . 6645 1 596 . 1 1 56 56 LEU HG H 1 1.19 0.01 . 1 . . . . 56 LEU HG . 6645 1 597 . 1 1 56 56 LEU HD11 H 1 0.91 0.01 . 2 . . . . 56 LEU HD1 . 6645 1 598 . 1 1 56 56 LEU HD12 H 1 0.91 0.01 . 2 . . . . 56 LEU HD1 . 6645 1 599 . 1 1 56 56 LEU HD13 H 1 0.91 0.01 . 2 . . . . 56 LEU HD1 . 6645 1 600 . 1 1 56 56 LEU HD21 H 1 0.58 0.01 . 2 . . . . 56 LEU HD2 . 6645 1 601 . 1 1 56 56 LEU HD22 H 1 0.58 0.01 . 2 . . . . 56 LEU HD2 . 6645 1 602 . 1 1 56 56 LEU HD23 H 1 0.58 0.01 . 2 . . . . 56 LEU HD2 . 6645 1 603 . 1 1 56 56 LEU CA C 13 59.98 0.3 . 1 . . . . 56 LEU CA . 6645 1 604 . 1 1 56 56 LEU CB C 13 41.88 0.3 . 1 . . . . 56 LEU CB . 6645 1 605 . 1 1 56 56 LEU CG C 13 28.69 0.3 . 1 . . . . 56 LEU CG . 6645 1 606 . 1 1 56 56 LEU CD1 C 13 26.09 0.3 . 2 . . . . 56 LEU CD1 . 6645 1 607 . 1 1 56 56 LEU CD2 C 13 25.03 0.3 . 2 . . . . 56 LEU CD2 . 6645 1 608 . 1 1 56 56 LEU N N 15 125.84 0.5 . 1 . . . . 56 LEU N . 6645 1 609 . 1 1 57 57 PRO HA H 1 4.94 0.01 . 1 . . . . 57 PRO HA . 6645 1 610 . 1 1 57 57 PRO HB2 H 1 2.06 0.01 . 1 . . . . 57 PRO HB2 . 6645 1 611 . 1 1 57 57 PRO HB3 H 1 2.06 0.01 . 1 . . . . 57 PRO HB3 . 6645 1 612 . 1 1 57 57 PRO HG2 H 1 1.60 0.01 . 1 . . . . 57 PRO HG2 . 6645 1 613 . 1 1 57 57 PRO HG3 H 1 1.60 0.01 . 1 . . . . 57 PRO HG3 . 6645 1 614 . 1 1 57 57 PRO HD2 H 1 3.73 0.01 . 1 . . . . 57 PRO HD2 . 6645 1 615 . 1 1 57 57 PRO HD3 H 1 3.73 0.01 . 1 . . . . 57 PRO HD3 . 6645 1 616 . 1 1 57 57 PRO C C 13 176.01 0.3 . 1 . . . . 57 PRO C . 6645 1 617 . 1 1 57 57 PRO CA C 13 61.89 0.3 . 1 . . . . 57 PRO CA . 6645 1 618 . 1 1 57 57 PRO CB C 13 32.86 0.3 . 1 . . . . 57 PRO CB . 6645 1 619 . 1 1 57 57 PRO CG C 13 28.35 0.3 . 1 . . . . 57 PRO CG . 6645 1 620 . 1 1 57 57 PRO CD C 13 50.38 0.3 . 1 . . . . 57 PRO CD . 6645 1 621 . 1 1 58 58 GLY H H 1 7.56 0.01 . 1 . . . . 58 GLY H . 6645 1 622 . 1 1 58 58 GLY HA2 H 1 4.57 0.01 . 2 . . . . 58 GLY HA2 . 6645 1 623 . 1 1 58 58 GLY HA3 H 1 4.17 0.01 . 2 . . . . 58 GLY HA3 . 6645 1 624 . 1 1 58 58 GLY C C 13 174.95 0.3 . 1 . . . . 58 GLY C . 6645 1 625 . 1 1 58 58 GLY CA C 13 45.10 0.3 . 1 . . . . 58 GLY CA . 6645 1 626 . 1 1 58 58 GLY N N 15 102.73 0.5 . 1 . . . . 58 GLY N . 6645 1 627 . 1 1 59 59 SER H H 1 8.50 0.01 . 1 . . . . 59 SER H . 6645 1 628 . 1 1 59 59 SER HA H 1 5.00 0.01 . 1 . . . . 59 SER HA . 6645 1 629 . 1 1 59 59 SER HB2 H 1 4.55 0.01 . 1 . . . . 59 SER HB2 . 6645 1 630 . 1 1 59 59 SER HB3 H 1 4.55 0.01 . 1 . . . . 59 SER HB3 . 6645 1 631 . 1 1 59 59 SER C C 13 175.23 0.3 . 1 . . . . 59 SER C . 6645 1 632 . 1 1 59 59 SER CA C 13 58.62 0.3 . 1 . . . . 59 SER CA . 6645 1 633 . 1 1 59 59 SER CB C 13 62.20 0.3 . 1 . . . . 59 SER CB . 6645 1 634 . 1 1 59 59 SER N N 15 113.30 0.5 . 1 . . . . 59 SER N . 6645 1 635 . 1 1 60 60 ALA H H 1 7.84 0.01 . 1 . . . . 60 ALA H . 6645 1 636 . 1 1 60 60 ALA HA H 1 4.80 0.01 . 1 . . . . 60 ALA HA . 6645 1 637 . 1 1 60 60 ALA HB1 H 1 1.55 0.01 . 1 . . . . 60 ALA HB . 6645 1 638 . 1 1 60 60 ALA HB2 H 1 1.55 0.01 . 1 . . . . 60 ALA HB . 6645 1 639 . 1 1 60 60 ALA HB3 H 1 1.55 0.01 . 1 . . . . 60 ALA HB . 6645 1 640 . 1 1 60 60 ALA C C 13 175.54 0.3 . 1 . . . . 60 ALA C . 6645 1 641 . 1 1 60 60 ALA CA C 13 51.21 0.3 . 1 . . . . 60 ALA CA . 6645 1 642 . 1 1 60 60 ALA CB C 13 22.61 0.3 . 1 . . . . 60 ALA CB . 6645 1 643 . 1 1 60 60 ALA N N 15 122.99 0.5 . 1 . . . . 60 ALA N . 6645 1 644 . 1 1 61 61 GLN H H 1 8.87 0.01 . 1 . . . . 61 GLN H . 6645 1 645 . 1 1 61 61 GLN HA H 1 5.30 0.01 . 1 . . . . 61 GLN HA . 6645 1 646 . 1 1 61 61 GLN HB2 H 1 2.06 0.01 . 1 . . . . 61 GLN HB2 . 6645 1 647 . 1 1 61 61 GLN HB3 H 1 2.06 0.01 . 1 . . . . 61 GLN HB3 . 6645 1 648 . 1 1 61 61 GLN HG2 H 1 2.27 0.01 . 1 . . . . 61 GLN HG2 . 6645 1 649 . 1 1 61 61 GLN HG3 H 1 2.27 0.01 . 1 . . . . 61 GLN HG3 . 6645 1 650 . 1 1 61 61 GLN C C 13 173.14 0.3 . 1 . . . . 61 GLN C . 6645 1 651 . 1 1 61 61 GLN CA C 13 55.71 0.3 . 1 . . . . 61 GLN CA . 6645 1 652 . 1 1 61 61 GLN CB C 13 28.28 0.3 . 1 . . . . 61 GLN CB . 6645 1 653 . 1 1 61 61 GLN CG C 13 33.98 0.3 . 1 . . . . 61 GLN CG . 6645 1 654 . 1 1 61 61 GLN N N 15 118.64 0.5 . 1 . . . . 61 GLN N . 6645 1 655 . 1 1 62 62 ILE H H 1 9.98 0.01 . 1 . . . . 62 ILE H . 6645 1 656 . 1 1 62 62 ILE HA H 1 5.28 0.01 . 1 . . . . 62 ILE HA . 6645 1 657 . 1 1 62 62 ILE HB H 1 2.09 0.01 . 1 . . . . 62 ILE HB . 6645 1 658 . 1 1 62 62 ILE HG12 H 1 1.50 0.01 . 2 . . . . 62 ILE HG12 . 6645 1 659 . 1 1 62 62 ILE HG13 H 1 1.28 0.01 . 2 . . . . 62 ILE HG13 . 6645 1 660 . 1 1 62 62 ILE HG21 H 1 1.03 0.01 . 1 . . . . 62 ILE HG2 . 6645 1 661 . 1 1 62 62 ILE HG22 H 1 1.03 0.01 . 1 . . . . 62 ILE HG2 . 6645 1 662 . 1 1 62 62 ILE HG23 H 1 1.03 0.01 . 1 . . . . 62 ILE HG2 . 6645 1 663 . 1 1 62 62 ILE HD11 H 1 0.88 0.01 . 1 . . . . 62 ILE HD1 . 6645 1 664 . 1 1 62 62 ILE HD12 H 1 0.88 0.01 . 1 . . . . 62 ILE HD1 . 6645 1 665 . 1 1 62 62 ILE HD13 H 1 0.88 0.01 . 1 . . . . 62 ILE HD1 . 6645 1 666 . 1 1 62 62 ILE C C 13 173.46 0.3 . 1 . . . . 62 ILE C . 6645 1 667 . 1 1 62 62 ILE CA C 13 60.99 0.3 . 1 . . . . 62 ILE CA . 6645 1 668 . 1 1 62 62 ILE CB C 13 37.09 0.3 . 1 . . . . 62 ILE CB . 6645 1 669 . 1 1 62 62 ILE CG1 C 13 26.14 0.3 . 1 . . . . 62 ILE CG1 . 6645 1 670 . 1 1 62 62 ILE CG2 C 13 18.03 0.3 . 1 . . . . 62 ILE CG2 . 6645 1 671 . 1 1 62 62 ILE CD1 C 13 14.11 0.3 . 1 . . . . 62 ILE CD1 . 6645 1 672 . 1 1 62 62 ILE N N 15 127.92 0.5 . 1 . . . . 62 ILE N . 6645 1 673 . 1 1 63 63 VAL H H 1 8.98 0.01 . 1 . . . . 63 VAL H . 6645 1 674 . 1 1 63 63 VAL HA H 1 4.66 0.01 . 1 . . . . 63 VAL HA . 6645 1 675 . 1 1 63 63 VAL HB H 1 1.78 0.01 . 1 . . . . 63 VAL HB . 6645 1 676 . 1 1 63 63 VAL HG11 H 1 0.61 0.01 . 2 . . . . 63 VAL HG1 . 6645 1 677 . 1 1 63 63 VAL HG12 H 1 0.61 0.01 . 2 . . . . 63 VAL HG1 . 6645 1 678 . 1 1 63 63 VAL HG13 H 1 0.61 0.01 . 2 . . . . 63 VAL HG1 . 6645 1 679 . 1 1 63 63 VAL HG21 H 1 -0.01 0.01 . 2 . . . . 63 VAL HG2 . 6645 1 680 . 1 1 63 63 VAL HG22 H 1 -0.01 0.01 . 2 . . . . 63 VAL HG2 . 6645 1 681 . 1 1 63 63 VAL HG23 H 1 -0.01 0.01 . 2 . . . . 63 VAL HG2 . 6645 1 682 . 1 1 63 63 VAL C C 13 176.64 0.3 . 1 . . . . 63 VAL C . 6645 1 683 . 1 1 63 63 VAL CA C 13 60.48 0.3 . 1 . . . . 63 VAL CA . 6645 1 684 . 1 1 63 63 VAL CB C 13 31.37 0.3 . 1 . . . . 63 VAL CB . 6645 1 685 . 1 1 63 63 VAL CG1 C 13 20.51 0.3 . 1 . . . . 63 VAL CG1 . 6645 1 686 . 1 1 63 63 VAL CG2 C 13 20.51 0.3 . 1 . . . . 63 VAL CG2 . 6645 1 687 . 1 1 63 63 VAL N N 15 126.70 0.5 . 1 . . . . 63 VAL N . 6645 1 688 . 1 1 64 64 MET H H 1 8.88 0.01 . 1 . . . . 64 MET H . 6645 1 689 . 1 1 64 64 MET HB2 H 1 2.11 0.01 . 1 . . . . 64 MET HB2 . 6645 1 690 . 1 1 64 64 MET HB3 H 1 2.11 0.01 . 1 . . . . 64 MET HB3 . 6645 1 691 . 1 1 64 64 MET HG2 H 1 2.64 0.01 . 1 . . . . 64 MET HG2 . 6645 1 692 . 1 1 64 64 MET HG3 H 1 2.64 0.01 . 1 . . . . 64 MET HG3 . 6645 1 693 . 1 1 64 64 MET C C 13 176.26 0.3 . 1 . . . . 64 MET C . 6645 1 694 . 1 1 64 64 MET CA C 13 52.14 0.3 . 1 . . . . 64 MET CA . 6645 1 695 . 1 1 64 64 MET CB C 13 27.90 0.3 . 1 . . . . 64 MET CB . 6645 1 696 . 1 1 64 64 MET CG C 13 31.17 0.3 . 1 . . . . 64 MET CG . 6645 1 697 . 1 1 64 64 MET N N 15 126.38 0.5 . 1 . . . . 64 MET N . 6645 1 698 . 1 1 65 65 SER H H 1 8.77 0.01 . 1 . . . . 65 SER H . 6645 1 699 . 1 1 65 65 SER HA H 1 4.62 0.01 . 1 . . . . 65 SER HA . 6645 1 700 . 1 1 65 65 SER HB2 H 1 4.02 0.01 . 1 . . . . 65 SER HB2 . 6645 1 701 . 1 1 65 65 SER HB3 H 1 4.02 0.01 . 1 . . . . 65 SER HB3 . 6645 1 702 . 1 1 65 65 SER C C 13 174.73 0.3 . 1 . . . . 65 SER C . 6645 1 703 . 1 1 65 65 SER CA C 13 57.40 0.3 . 1 . . . . 65 SER CA . 6645 1 704 . 1 1 65 65 SER CB C 13 64.33 0.3 . 1 . . . . 65 SER CB . 6645 1 705 . 1 1 65 65 SER N N 15 119.01 0.5 . 1 . . . . 65 SER N . 6645 1 706 . 1 1 66 66 ARG C C 13 174.69 0.3 . 1 . . . . 66 ARG C . 6645 1 707 . 1 1 67 67 SER H H 1 7.45 0.01 . 1 . . . . 67 SER H . 6645 1 708 . 1 1 67 67 SER HA H 1 4.93 0.01 . 1 . . . . 67 SER HA . 6645 1 709 . 1 1 67 67 SER HB2 H 1 4.72 0.01 . 2 . . . . 67 SER HB2 . 6645 1 710 . 1 1 67 67 SER HB3 H 1 4.10 0.01 . 2 . . . . 67 SER HB3 . 6645 1 711 . 1 1 67 67 SER C C 13 174.13 0.3 . 1 . . . . 67 SER C . 6645 1 712 . 1 1 67 67 SER CA C 13 58.00 0.3 . 1 . . . . 67 SER CA . 6645 1 713 . 1 1 67 67 SER CB C 13 63.91 0.3 . 1 . . . . 67 SER CB . 6645 1 714 . 1 1 67 67 SER N N 15 119.53 0.5 . 1 . . . . 67 SER N . 6645 1 715 . 1 1 68 68 GLU H H 1 8.91 0.01 . 1 . . . . 68 GLU H . 6645 1 716 . 1 1 68 68 GLU HA H 1 4.36 0.01 . 1 . . . . 68 GLU HA . 6645 1 717 . 1 1 68 68 GLU CA C 13 59.88 0.3 . 1 . . . . 68 GLU CA . 6645 1 718 . 1 1 68 68 GLU N N 15 123.47 0.5 . 1 . . . . 68 GLU N . 6645 1 719 . 1 1 69 69 ARG HB2 H 1 2.30 0.01 . 1 . . . . 69 ARG HB2 . 6645 1 720 . 1 1 69 69 ARG C C 13 176.77 0.3 . 1 . . . . 69 ARG C . 6645 1 721 . 1 1 69 69 ARG CA C 13 57.36 0.3 . 1 . . . . 69 ARG CA . 6645 1 722 . 1 1 69 69 ARG CB C 13 29.72 0.3 . 1 . . . . 69 ARG CB . 6645 1 723 . 1 1 70 70 SER H H 1 8.18 0.01 . 1 . . . . 70 SER H . 6645 1 724 . 1 1 70 70 SER HA H 1 4.59 0.01 . 1 . . . . 70 SER HA . 6645 1 725 . 1 1 70 70 SER HB2 H 1 3.98 0.01 . 1 . . . . 70 SER HB2 . 6645 1 726 . 1 1 70 70 SER HB3 H 1 3.98 0.01 . 1 . . . . 70 SER HB3 . 6645 1 727 . 1 1 70 70 SER C C 13 173.76 0.3 . 1 . . . . 70 SER C . 6645 1 728 . 1 1 70 70 SER CA C 13 57.42 0.3 . 1 . . . . 70 SER CA . 6645 1 729 . 1 1 70 70 SER CB C 13 63.79 0.3 . 1 . . . . 70 SER CB . 6645 1 730 . 1 1 70 70 SER N N 15 114.37 0.5 . 1 . . . . 70 SER N . 6645 1 731 . 1 1 71 71 PHE H H 1 8.72 0.01 . 1 . . . . 71 PHE H . 6645 1 732 . 1 1 71 71 PHE HA H 1 4.64 0.01 . 1 . . . . 71 PHE HA . 6645 1 733 . 1 1 71 71 PHE HB2 H 1 3.43 0.01 . 2 . . . . 71 PHE HB2 . 6645 1 734 . 1 1 71 71 PHE HB3 H 1 2.99 0.01 . 2 . . . . 71 PHE HB3 . 6645 1 735 . 1 1 71 71 PHE C C 13 176.55 0.3 . 1 . . . . 71 PHE C . 6645 1 736 . 1 1 71 71 PHE CA C 13 57.33 0.3 . 1 . . . . 71 PHE CA . 6645 1 737 . 1 1 71 71 PHE CB C 13 40.65 0.3 . 1 . . . . 71 PHE CB . 6645 1 738 . 1 1 71 71 PHE N N 15 121.47 0.5 . 1 . . . . 71 PHE N . 6645 1 739 . 1 1 72 72 SER H H 1 9.51 0.01 . 1 . . . . 72 SER H . 6645 1 740 . 1 1 72 72 SER HA H 1 5.18 0.01 . 1 . . . . 72 SER HA . 6645 1 741 . 1 1 72 72 SER HB2 H 1 4.23 0.01 . 1 . . . . 72 SER HB2 . 6645 1 742 . 1 1 72 72 SER HB3 H 1 4.23 0.01 . 1 . . . . 72 SER HB3 . 6645 1 743 . 1 1 72 72 SER C C 13 174.69 0.3 . 1 . . . . 72 SER C . 6645 1 744 . 1 1 72 72 SER CA C 13 59.08 0.3 . 1 . . . . 72 SER CA . 6645 1 745 . 1 1 72 72 SER CB C 13 62.80 0.3 . 1 . . . . 72 SER CB . 6645 1 746 . 1 1 72 72 SER N N 15 119.66 0.5 . 1 . . . . 72 SER N . 6645 1 747 . 1 1 73 73 VAL H H 1 7.45 0.01 . 1 . . . . 73 VAL H . 6645 1 748 . 1 1 73 73 VAL HA H 1 4.35 0.01 . 1 . . . . 73 VAL HA . 6645 1 749 . 1 1 73 73 VAL HB H 1 2.31 0.01 . 1 . . . . 73 VAL HB . 6645 1 750 . 1 1 73 73 VAL HG11 H 1 1.26 0.01 . 2 . . . . 73 VAL HG1 . 6645 1 751 . 1 1 73 73 VAL HG12 H 1 1.26 0.01 . 2 . . . . 73 VAL HG1 . 6645 1 752 . 1 1 73 73 VAL HG13 H 1 1.26 0.01 . 2 . . . . 73 VAL HG1 . 6645 1 753 . 1 1 73 73 VAL HG21 H 1 1.31 0.01 . 2 . . . . 73 VAL HG2 . 6645 1 754 . 1 1 73 73 VAL HG22 H 1 1.31 0.01 . 2 . . . . 73 VAL HG2 . 6645 1 755 . 1 1 73 73 VAL HG23 H 1 1.31 0.01 . 2 . . . . 73 VAL HG2 . 6645 1 756 . 1 1 73 73 VAL C C 13 177.62 0.3 . 1 . . . . 73 VAL C . 6645 1 757 . 1 1 73 73 VAL CA C 13 61.33 0.3 . 1 . . . . 73 VAL CA . 6645 1 758 . 1 1 73 73 VAL CB C 13 33.35 0.3 . 1 . . . . 73 VAL CB . 6645 1 759 . 1 1 73 73 VAL CG1 C 13 21.29 0.3 . 2 . . . . 73 VAL CG1 . 6645 1 760 . 1 1 73 73 VAL CG2 C 13 20.97 0.3 . 2 . . . . 73 VAL CG2 . 6645 1 761 . 1 1 73 73 VAL N N 15 119.53 0.5 . 1 . . . . 73 VAL N . 6645 1 762 . 1 1 74 74 ASP H H 1 9.15 0.01 . 1 . . . . 74 ASP H . 6645 1 763 . 1 1 74 74 ASP HA H 1 4.67 0.01 . 1 . . . . 74 ASP HA . 6645 1 764 . 1 1 74 74 ASP HB2 H 1 3.00 0.01 . 1 . . . . 74 ASP HB2 . 6645 1 765 . 1 1 74 74 ASP HB3 H 1 3.00 0.01 . 1 . . . . 74 ASP HB3 . 6645 1 766 . 1 1 74 74 ASP C C 13 177.15 0.3 . 1 . . . . 74 ASP C . 6645 1 767 . 1 1 74 74 ASP CA C 13 56.80 0.3 . 1 . . . . 74 ASP CA . 6645 1 768 . 1 1 74 74 ASP CB C 13 40.81 0.3 . 1 . . . . 74 ASP CB . 6645 1 769 . 1 1 74 74 ASP N N 15 126.89 0.5 . 1 . . . . 74 ASP N . 6645 1 770 . 1 1 75 75 THR H H 1 7.28 0.01 . 1 . . . . 75 THR H . 6645 1 771 . 1 1 75 75 THR HA H 1 4.61 0.01 . 1 . . . . 75 THR HA . 6645 1 772 . 1 1 75 75 THR HB H 1 4.17 0.01 . 1 . . . . 75 THR HB . 6645 1 773 . 1 1 75 75 THR HG21 H 1 1.48 0.01 . 1 . . . . 75 THR HG2 . 6645 1 774 . 1 1 75 75 THR HG22 H 1 1.48 0.01 . 1 . . . . 75 THR HG2 . 6645 1 775 . 1 1 75 75 THR HG23 H 1 1.48 0.01 . 1 . . . . 75 THR HG2 . 6645 1 776 . 1 1 75 75 THR C C 13 172.82 0.3 . 1 . . . . 75 THR C . 6645 1 777 . 1 1 75 75 THR CA C 13 61.49 0.3 . 1 . . . . 75 THR CA . 6645 1 778 . 1 1 75 75 THR CB C 13 68.32 0.3 . 1 . . . . 75 THR CB . 6645 1 779 . 1 1 75 75 THR CG2 C 13 21.25 0.3 . 1 . . . . 75 THR CG2 . 6645 1 780 . 1 1 75 75 THR N N 15 105.80 0.5 . 1 . . . . 75 THR N . 6645 1 781 . 1 1 76 76 ALA H H 1 7.26 0.01 . 1 . . . . 76 ALA H . 6645 1 782 . 1 1 76 76 ALA HA H 1 5.72 0.01 . 1 . . . . 76 ALA HA . 6645 1 783 . 1 1 76 76 ALA HB1 H 1 1.95 0.01 . 1 . . . . 76 ALA HB . 6645 1 784 . 1 1 76 76 ALA HB2 H 1 1.95 0.01 . 1 . . . . 76 ALA HB . 6645 1 785 . 1 1 76 76 ALA HB3 H 1 1.95 0.01 . 1 . . . . 76 ALA HB . 6645 1 786 . 1 1 76 76 ALA C C 13 176.17 0.3 . 1 . . . . 76 ALA C . 6645 1 787 . 1 1 76 76 ALA CA C 13 50.51 0.3 . 1 . . . . 76 ALA CA . 6645 1 788 . 1 1 76 76 ALA CB C 13 19.85 0.3 . 1 . . . . 76 ALA CB . 6645 1 789 . 1 1 76 76 ALA N N 15 124.18 0.5 . 1 . . . . 76 ALA N . 6645 1 790 . 1 1 77 77 HIS H H 1 9.09 0.01 . 1 . . . . 77 HIS H . 6645 1 791 . 1 1 77 77 HIS HA H 1 4.89 0.01 . 1 . . . . 77 HIS HA . 6645 1 792 . 1 1 77 77 HIS HB2 H 1 3.34 0.01 . 2 . . . . 77 HIS HB2 . 6645 1 793 . 1 1 77 77 HIS HB3 H 1 2.89 0.01 . 2 . . . . 77 HIS HB3 . 6645 1 794 . 1 1 77 77 HIS C C 13 173.87 0.3 . 1 . . . . 77 HIS C . 6645 1 795 . 1 1 77 77 HIS CA C 13 54.39 0.3 . 1 . . . . 77 HIS CA . 6645 1 796 . 1 1 77 77 HIS CB C 13 29.65 0.3 . 1 . . . . 77 HIS CB . 6645 1 797 . 1 1 77 77 HIS N N 15 119.37 0.5 . 1 . . . . 77 HIS N . 6645 1 798 . 1 1 78 78 ARG H H 1 9.19 0.01 . 1 . . . . 78 ARG H . 6645 1 799 . 1 1 78 78 ARG HA H 1 5.27 0.01 . 1 . . . . 78 ARG HA . 6645 1 800 . 1 1 78 78 ARG HB2 H 1 2.11 0.01 . 2 . . . . 78 ARG HB2 . 6645 1 801 . 1 1 78 78 ARG HB3 H 1 1.88 0.01 . 2 . . . . 78 ARG HB3 . 6645 1 802 . 1 1 78 78 ARG HG2 H 1 1.01 0.01 . 1 . . . . 78 ARG HG2 . 6645 1 803 . 1 1 78 78 ARG HG3 H 1 1.01 0.01 . 1 . . . . 78 ARG HG3 . 6645 1 804 . 1 1 78 78 ARG HD2 H 1 3.26 0.01 . 1 . . . . 78 ARG HD2 . 6645 1 805 . 1 1 78 78 ARG HD3 H 1 3.26 0.01 . 1 . . . . 78 ARG HD3 . 6645 1 806 . 1 1 78 78 ARG C C 13 174.83 0.3 . 1 . . . . 78 ARG C . 6645 1 807 . 1 1 78 78 ARG CA C 13 56.11 0.3 . 1 . . . . 78 ARG CA . 6645 1 808 . 1 1 78 78 ARG CB C 13 31.24 0.3 . 1 . . . . 78 ARG CB . 6645 1 809 . 1 1 78 78 ARG CG C 13 26.24 0.3 . 1 . . . . 78 ARG CG . 6645 1 810 . 1 1 78 78 ARG CD C 13 41.94 0.3 . 1 . . . . 78 ARG CD . 6645 1 811 . 1 1 78 78 ARG N N 15 125.13 0.5 . 1 . . . . 78 ARG N . 6645 1 812 . 1 1 79 79 ALA H H 1 9.08 0.01 . 1 . . . . 79 ALA H . 6645 1 813 . 1 1 79 79 ALA HA H 1 4.95 0.01 . 1 . . . . 79 ALA HA . 6645 1 814 . 1 1 79 79 ALA HB1 H 1 1.55 0.01 . 1 . . . . 79 ALA HB . 6645 1 815 . 1 1 79 79 ALA HB2 H 1 1.55 0.01 . 1 . . . . 79 ALA HB . 6645 1 816 . 1 1 79 79 ALA HB3 H 1 1.55 0.01 . 1 . . . . 79 ALA HB . 6645 1 817 . 1 1 79 79 ALA C C 13 175.79 0.3 . 1 . . . . 79 ALA C . 6645 1 818 . 1 1 79 79 ALA CA C 13 50.55 0.3 . 1 . . . . 79 ALA CA . 6645 1 819 . 1 1 79 79 ALA CB C 13 22.87 0.3 . 1 . . . . 79 ALA CB . 6645 1 820 . 1 1 79 79 ALA N N 15 126.71 0.5 . 1 . . . . 79 ALA N . 6645 1 821 . 1 1 80 80 ALA H H 1 9.22 0.01 . 1 . . . . 80 ALA H . 6645 1 822 . 1 1 80 80 ALA HA H 1 4.19 0.01 . 1 . . . . 80 ALA HA . 6645 1 823 . 1 1 80 80 ALA HB1 H 1 1.63 0.01 . 1 . . . . 80 ALA HB . 6645 1 824 . 1 1 80 80 ALA HB2 H 1 1.63 0.01 . 1 . . . . 80 ALA HB . 6645 1 825 . 1 1 80 80 ALA HB3 H 1 1.63 0.01 . 1 . . . . 80 ALA HB . 6645 1 826 . 1 1 80 80 ALA C C 13 177.02 0.3 . 1 . . . . 80 ALA C . 6645 1 827 . 1 1 80 80 ALA CA C 13 51.54 0.3 . 1 . . . . 80 ALA CA . 6645 1 828 . 1 1 80 80 ALA CB C 13 20.42 0.3 . 1 . . . . 80 ALA CB . 6645 1 829 . 1 1 80 80 ALA N N 15 120.69 0.5 . 1 . . . . 80 ALA N . 6645 1 830 . 1 1 81 81 SER H H 1 7.61 0.01 . 1 . . . . 81 SER H . 6645 1 831 . 1 1 81 81 SER HA H 1 4.45 0.01 . 1 . . . . 81 SER HA . 6645 1 832 . 1 1 81 81 SER HB2 H 1 4.07 0.01 . 1 . . . . 81 SER HB2 . 6645 1 833 . 1 1 81 81 SER HB3 H 1 4.07 0.01 . 1 . . . . 81 SER HB3 . 6645 1 834 . 1 1 81 81 SER C C 13 174.21 0.3 . 1 . . . . 81 SER C . 6645 1 835 . 1 1 81 81 SER CA C 13 55.80 0.3 . 1 . . . . 81 SER CA . 6645 1 836 . 1 1 81 81 SER CB C 13 66.47 0.3 . 1 . . . . 81 SER CB . 6645 1 837 . 1 1 81 81 SER N N 15 109.60 0.5 . 1 . . . . 81 SER N . 6645 1 838 . 1 1 82 82 VAL H H 1 8.98 0.01 . 1 . . . . 82 VAL H . 6645 1 839 . 1 1 82 82 VAL HA H 1 3.47 0.01 . 1 . . . . 82 VAL HA . 6645 1 840 . 1 1 82 82 VAL HB H 1 1.76 0.01 . 1 . . . . 82 VAL HB . 6645 1 841 . 1 1 82 82 VAL HG11 H 1 0.25 0.01 . 2 . . . . 82 VAL HG1 . 6645 1 842 . 1 1 82 82 VAL HG12 H 1 0.25 0.01 . 2 . . . . 82 VAL HG1 . 6645 1 843 . 1 1 82 82 VAL HG13 H 1 0.25 0.01 . 2 . . . . 82 VAL HG1 . 6645 1 844 . 1 1 82 82 VAL HG21 H 1 0.21 0.01 . 2 . . . . 82 VAL HG2 . 6645 1 845 . 1 1 82 82 VAL HG22 H 1 0.21 0.01 . 2 . . . . 82 VAL HG2 . 6645 1 846 . 1 1 82 82 VAL HG23 H 1 0.21 0.01 . 2 . . . . 82 VAL HG2 . 6645 1 847 . 1 1 82 82 VAL C C 13 177.11 0.3 . 1 . . . . 82 VAL C . 6645 1 848 . 1 1 82 82 VAL CA C 13 66.47 0.3 . 1 . . . . 82 VAL CA . 6645 1 849 . 1 1 82 82 VAL CB C 13 30.78 0.3 . 1 . . . . 82 VAL CB . 6645 1 850 . 1 1 82 82 VAL CG1 C 13 18.46 0.3 . 2 . . . . 82 VAL CG1 . 6645 1 851 . 1 1 82 82 VAL CG2 C 13 20.76 0.3 . 2 . . . . 82 VAL CG2 . 6645 1 852 . 1 1 82 82 VAL N N 15 123.76 0.5 . 1 . . . . 82 VAL N . 6645 1 853 . 1 1 83 83 GLU H H 1 8.65 0.01 . 1 . . . . 83 GLU H . 6645 1 854 . 1 1 83 83 GLU HA H 1 4.00 0.01 . 1 . . . . 83 GLU HA . 6645 1 855 . 1 1 83 83 GLU HB2 H 1 2.14 0.01 . 2 . . . . 83 GLU HB2 . 6645 1 856 . 1 1 83 83 GLU HB3 H 1 2.09 0.01 . 2 . . . . 83 GLU HB3 . 6645 1 857 . 1 1 83 83 GLU HG2 H 1 2.46 0.01 . 1 . . . . 83 GLU HG2 . 6645 1 858 . 1 1 83 83 GLU HG3 H 1 2.46 0.01 . 1 . . . . 83 GLU HG3 . 6645 1 859 . 1 1 83 83 GLU C C 13 179.09 0.3 . 1 . . . . 83 GLU C . 6645 1 860 . 1 1 83 83 GLU CA C 13 59.78 0.3 . 1 . . . . 83 GLU CA . 6645 1 861 . 1 1 83 83 GLU CB C 13 28.40 0.3 . 1 . . . . 83 GLU CB . 6645 1 862 . 1 1 83 83 GLU CG C 13 36.77 0.3 . 1 . . . . 83 GLU CG . 6645 1 863 . 1 1 83 83 GLU N N 15 117.38 0.5 . 1 . . . . 83 GLU N . 6645 1 864 . 1 1 84 84 GLU H H 1 8.07 0.01 . 1 . . . . 84 GLU H . 6645 1 865 . 1 1 84 84 GLU HA H 1 4.26 0.01 . 1 . . . . 84 GLU HA . 6645 1 866 . 1 1 84 84 GLU HB2 H 1 2.26 0.01 . 2 . . . . 84 GLU HB2 . 6645 1 867 . 1 1 84 84 GLU HB3 H 1 1.98 0.01 . 2 . . . . 84 GLU HB3 . 6645 1 868 . 1 1 84 84 GLU HG2 H 1 2.49 0.01 . 2 . . . . 84 GLU HG2 . 6645 1 869 . 1 1 84 84 GLU HG3 H 1 2.42 0.01 . 2 . . . . 84 GLU HG3 . 6645 1 870 . 1 1 84 84 GLU C C 13 178.38 0.3 . 1 . . . . 84 GLU C . 6645 1 871 . 1 1 84 84 GLU CA C 13 59.03 0.3 . 1 . . . . 84 GLU CA . 6645 1 872 . 1 1 84 84 GLU CB C 13 30.07 0.3 . 1 . . . . 84 GLU CB . 6645 1 873 . 1 1 84 84 GLU CG C 13 36.87 0.3 . 1 . . . . 84 GLU CG . 6645 1 874 . 1 1 84 84 GLU N N 15 118.74 0.5 . 1 . . . . 84 GLU N . 6645 1 875 . 1 1 85 85 ALA H H 1 8.30 0.01 . 1 . . . . 85 ALA H . 6645 1 876 . 1 1 85 85 ALA HA H 1 4.06 0.01 . 1 . . . . 85 ALA HA . 6645 1 877 . 1 1 85 85 ALA HB1 H 1 1.76 0.01 . 1 . . . . 85 ALA HB . 6645 1 878 . 1 1 85 85 ALA HB2 H 1 1.76 0.01 . 1 . . . . 85 ALA HB . 6645 1 879 . 1 1 85 85 ALA HB3 H 1 1.76 0.01 . 1 . . . . 85 ALA HB . 6645 1 880 . 1 1 85 85 ALA C C 13 179.19 0.3 . 1 . . . . 85 ALA C . 6645 1 881 . 1 1 85 85 ALA CA C 13 55.26 0.3 . 1 . . . . 85 ALA CA . 6645 1 882 . 1 1 85 85 ALA CB C 13 18.31 0.3 . 1 . . . . 85 ALA CB . 6645 1 883 . 1 1 85 85 ALA N N 15 121.61 0.5 . 1 . . . . 85 ALA N . 6645 1 884 . 1 1 86 86 VAL H H 1 8.49 0.01 . 1 . . . . 86 VAL H . 6645 1 885 . 1 1 86 86 VAL HA H 1 3.61 0.01 . 1 . . . . 86 VAL HA . 6645 1 886 . 1 1 86 86 VAL HB H 1 2.34 0.01 . 1 . . . . 86 VAL HB . 6645 1 887 . 1 1 86 86 VAL HG11 H 1 1.19 0.01 . 2 . . . . 86 VAL HG1 . 6645 1 888 . 1 1 86 86 VAL HG12 H 1 1.19 0.01 . 2 . . . . 86 VAL HG1 . 6645 1 889 . 1 1 86 86 VAL HG13 H 1 1.19 0.01 . 2 . . . . 86 VAL HG1 . 6645 1 890 . 1 1 86 86 VAL HG21 H 1 1.14 0.01 . 2 . . . . 86 VAL HG2 . 6645 1 891 . 1 1 86 86 VAL HG22 H 1 1.14 0.01 . 2 . . . . 86 VAL HG2 . 6645 1 892 . 1 1 86 86 VAL HG23 H 1 1.14 0.01 . 2 . . . . 86 VAL HG2 . 6645 1 893 . 1 1 86 86 VAL C C 13 177.81 0.3 . 1 . . . . 86 VAL C . 6645 1 894 . 1 1 86 86 VAL CA C 13 66.80 0.3 . 1 . . . . 86 VAL CA . 6645 1 895 . 1 1 86 86 VAL CB C 13 31.19 0.3 . 1 . . . . 86 VAL CB . 6645 1 896 . 1 1 86 86 VAL CG1 C 13 21.36 0.3 . 2 . . . . 86 VAL CG1 . 6645 1 897 . 1 1 86 86 VAL CG2 C 13 22.82 0.3 . 2 . . . . 86 VAL CG2 . 6645 1 898 . 1 1 86 86 VAL N N 15 116.62 0.5 . 1 . . . . 86 VAL N . 6645 1 899 . 1 1 87 87 ASP H H 1 8.16 0.01 . 1 . . . . 87 ASP H . 6645 1 900 . 1 1 87 87 ASP HA H 1 3.92 0.01 . 1 . . . . 87 ASP HA . 6645 1 901 . 1 1 87 87 ASP HB2 H 1 2.99 0.01 . 2 . . . . 87 ASP HB2 . 6645 1 902 . 1 1 87 87 ASP HB3 H 1 2.74 0.01 . 2 . . . . 87 ASP HB3 . 6645 1 903 . 1 1 87 87 ASP C C 13 180.37 0.3 . 1 . . . . 87 ASP C . 6645 1 904 . 1 1 87 87 ASP CA C 13 57.34 0.3 . 1 . . . . 87 ASP CA . 6645 1 905 . 1 1 87 87 ASP CB C 13 40.31 0.3 . 1 . . . . 87 ASP CB . 6645 1 906 . 1 1 87 87 ASP N N 15 120.63 0.5 . 1 . . . . 87 ASP N . 6645 1 907 . 1 1 88 88 ILE H H 1 8.80 0.01 . 1 . . . . 88 ILE H . 6645 1 908 . 1 1 88 88 ILE HA H 1 3.83 0.01 . 1 . . . . 88 ILE HA . 6645 1 909 . 1 1 88 88 ILE HB H 1 1.94 0.01 . 1 . . . . 88 ILE HB . 6645 1 910 . 1 1 88 88 ILE HG12 H 1 1.20 0.01 . 2 . . . . 88 ILE HG12 . 6645 1 911 . 1 1 88 88 ILE HG13 H 1 1.04 0.01 . 2 . . . . 88 ILE HG13 . 6645 1 912 . 1 1 88 88 ILE HG21 H 1 0.62 0.01 . 1 . . . . 88 ILE HG2 . 6645 1 913 . 1 1 88 88 ILE HG22 H 1 0.62 0.01 . 1 . . . . 88 ILE HG2 . 6645 1 914 . 1 1 88 88 ILE HG23 H 1 0.62 0.01 . 1 . . . . 88 ILE HG2 . 6645 1 915 . 1 1 88 88 ILE HD11 H 1 0.55 0.01 . 1 . . . . 88 ILE HD1 . 6645 1 916 . 1 1 88 88 ILE HD12 H 1 0.55 0.01 . 1 . . . . 88 ILE HD1 . 6645 1 917 . 1 1 88 88 ILE HD13 H 1 0.55 0.01 . 1 . . . . 88 ILE HD1 . 6645 1 918 . 1 1 88 88 ILE C C 13 179.53 0.3 . 1 . . . . 88 ILE C . 6645 1 919 . 1 1 88 88 ILE CA C 13 64.94 0.3 . 1 . . . . 88 ILE CA . 6645 1 920 . 1 1 88 88 ILE CB C 13 37.60 0.3 . 1 . . . . 88 ILE CB . 6645 1 921 . 1 1 88 88 ILE CG1 C 13 28.72 0.3 . 2 . . . . 88 ILE CG1 . 6645 1 922 . 1 1 88 88 ILE CG2 C 13 16.57 0.3 . 2 . . . . 88 ILE CG2 . 6645 1 923 . 1 1 88 88 ILE CD1 C 13 14.27 0.3 . 1 . . . . 88 ILE CD1 . 6645 1 924 . 1 1 88 88 ILE N N 15 121.89 0.5 . 1 . . . . 88 ILE N . 6645 1 925 . 1 1 89 89 ALA H H 1 8.47 0.01 . 1 . . . . 89 ALA H . 6645 1 926 . 1 1 89 89 ALA HA H 1 3.90 0.01 . 1 . . . . 89 ALA HA . 6645 1 927 . 1 1 89 89 ALA HB1 H 1 1.45 0.01 . 1 . . . . 89 ALA HB . 6645 1 928 . 1 1 89 89 ALA HB2 H 1 1.45 0.01 . 1 . . . . 89 ALA HB . 6645 1 929 . 1 1 89 89 ALA HB3 H 1 1.45 0.01 . 1 . . . . 89 ALA HB . 6645 1 930 . 1 1 89 89 ALA C C 13 179.17 0.3 . 1 . . . . 89 ALA C . 6645 1 931 . 1 1 89 89 ALA CA C 13 55.95 0.3 . 1 . . . . 89 ALA CA . 6645 1 932 . 1 1 89 89 ALA CB C 13 16.14 0.3 . 1 . . . . 89 ALA CB . 6645 1 933 . 1 1 89 89 ALA N N 15 123.16 0.5 . 1 . . . . 89 ALA N . 6645 1 934 . 1 1 90 90 ALA H H 1 8.87 0.01 . 1 . . . . 90 ALA H . 6645 1 935 . 1 1 90 90 ALA HA H 1 4.22 0.01 . 1 . . . . 90 ALA HA . 6645 1 936 . 1 1 90 90 ALA HB1 H 1 1.69 0.01 . 1 . . . . 90 ALA HB . 6645 1 937 . 1 1 90 90 ALA HB2 H 1 1.69 0.01 . 1 . . . . 90 ALA HB . 6645 1 938 . 1 1 90 90 ALA HB3 H 1 1.69 0.01 . 1 . . . . 90 ALA HB . 6645 1 939 . 1 1 90 90 ALA C C 13 182.53 0.3 . 1 . . . . 90 ALA C . 6645 1 940 . 1 1 90 90 ALA CA C 13 54.90 0.3 . 1 . . . . 90 ALA CA . 6645 1 941 . 1 1 90 90 ALA CB C 13 17.44 0.3 . 1 . . . . 90 ALA CB . 6645 1 942 . 1 1 90 90 ALA N N 15 119.85 0.5 . 1 . . . . 90 ALA N . 6645 1 943 . 1 1 91 91 SER H H 1 8.43 0.01 . 1 . . . . 91 SER H . 6645 1 944 . 1 1 91 91 SER HA H 1 4.58 0.01 . 1 . . . . 91 SER HA . 6645 1 945 . 1 1 91 91 SER HB2 H 1 4.28 0.01 . 1 . . . . 91 SER HB2 . 6645 1 946 . 1 1 91 91 SER HB3 H 1 4.28 0.01 . 1 . . . . 91 SER HB3 . 6645 1 947 . 1 1 91 91 SER C C 13 175.11 0.3 . 1 . . . . 91 SER C . 6645 1 948 . 1 1 91 91 SER CA C 13 61.01 0.3 . 1 . . . . 91 SER CA . 6645 1 949 . 1 1 91 91 SER CB C 13 62.60 0.3 . 1 . . . . 91 SER CB . 6645 1 950 . 1 1 91 91 SER N N 15 118.73 0.5 . 1 . . . . 91 SER N . 6645 1 951 . 1 1 92 92 LEU H H 1 7.59 0.01 . 1 . . . . 92 LEU H . 6645 1 952 . 1 1 92 92 LEU HA H 1 4.22 0.01 . 1 . . . . 92 LEU HA . 6645 1 953 . 1 1 92 92 LEU HB2 H 1 1.87 0.01 . 1 . . . . 92 LEU HB2 . 6645 1 954 . 1 1 92 92 LEU HB3 H 1 1.87 0.01 . 1 . . . . 92 LEU HB3 . 6645 1 955 . 1 1 92 92 LEU HG H 1 1.85 0.01 . 1 . . . . 92 LEU HG . 6645 1 956 . 1 1 92 92 LEU HD11 H 1 0.63 0.01 . 2 . . . . 92 LEU HD1 . 6645 1 957 . 1 1 92 92 LEU HD12 H 1 0.63 0.01 . 2 . . . . 92 LEU HD1 . 6645 1 958 . 1 1 92 92 LEU HD13 H 1 0.63 0.01 . 2 . . . . 92 LEU HD1 . 6645 1 959 . 1 1 92 92 LEU HD21 H 1 0.86 0.01 . 2 . . . . 92 LEU HD2 . 6645 1 960 . 1 1 92 92 LEU HD22 H 1 0.86 0.01 . 2 . . . . 92 LEU HD2 . 6645 1 961 . 1 1 92 92 LEU HD23 H 1 0.86 0.01 . 2 . . . . 92 LEU HD2 . 6645 1 962 . 1 1 92 92 LEU C C 13 176.77 0.3 . 1 . . . . 92 LEU C . 6645 1 963 . 1 1 92 92 LEU CA C 13 54.44 0.3 . 1 . . . . 92 LEU CA . 6645 1 964 . 1 1 92 92 LEU CB C 13 40.89 0.3 . 1 . . . . 92 LEU CB . 6645 1 965 . 1 1 92 92 LEU CG C 13 25.51 0.3 . 1 . . . . 92 LEU CG . 6645 1 966 . 1 1 92 92 LEU CD1 C 13 23.33 0.3 . 2 . . . . 92 LEU CD1 . 6645 1 967 . 1 1 92 92 LEU CD2 C 13 20.83 0.3 . 2 . . . . 92 LEU CD2 . 6645 1 968 . 1 1 92 92 LEU N N 15 122.45 0.5 . 1 . . . . 92 LEU N . 6645 1 969 . 1 1 93 93 ASP H H 1 8.44 0.01 . 1 . . . . 93 ASP H . 6645 1 970 . 1 1 93 93 ASP HA H 1 4.58 0.01 . 1 . . . . 93 ASP HA . 6645 1 971 . 1 1 93 93 ASP HB2 H 1 2.78 0.01 . 2 . . . . 93 ASP HB2 . 6645 1 972 . 1 1 93 93 ASP HB3 H 1 2.31 0.01 . 2 . . . . 93 ASP HB3 . 6645 1 973 . 1 1 93 93 ASP C C 13 175.13 0.3 . 1 . . . . 93 ASP C . 6645 1 974 . 1 1 93 93 ASP CA C 13 55.11 0.3 . 1 . . . . 93 ASP CA . 6645 1 975 . 1 1 93 93 ASP CB C 13 38.65 0.3 . 1 . . . . 93 ASP CB . 6645 1 976 . 1 1 93 93 ASP N N 15 117.73 0.5 . 1 . . . . 93 ASP N . 6645 1 977 . 1 1 94 94 ALA H H 1 7.58 0.01 . 1 . . . . 94 ALA H . 6645 1 978 . 1 1 94 94 ALA HA H 1 4.38 0.01 . 1 . . . . 94 ALA HA . 6645 1 979 . 1 1 94 94 ALA HB1 H 1 1.48 0.01 . 1 . . . . 94 ALA HB . 6645 1 980 . 1 1 94 94 ALA HB2 H 1 1.48 0.01 . 1 . . . . 94 ALA HB . 6645 1 981 . 1 1 94 94 ALA HB3 H 1 1.48 0.01 . 1 . . . . 94 ALA HB . 6645 1 982 . 1 1 94 94 ALA C C 13 177.77 0.3 . 1 . . . . 94 ALA C . 6645 1 983 . 1 1 94 94 ALA CA C 13 52.13 0.3 . 1 . . . . 94 ALA CA . 6645 1 984 . 1 1 94 94 ALA CB C 13 20.45 0.3 . 1 . . . . 94 ALA CB . 6645 1 985 . 1 1 94 94 ALA N N 15 119.97 0.5 . 1 . . . . 94 ALA N . 6645 1 986 . 1 1 95 95 GLU H H 1 9.16 0.01 . 1 . . . . 95 GLU H . 6645 1 987 . 1 1 95 95 GLU HA H 1 4.63 0.01 . 1 . . . . 95 GLU HA . 6645 1 988 . 1 1 95 95 GLU HB2 H 1 2.10 0.01 . 2 . . . . 95 GLU HB2 . 6645 1 989 . 1 1 95 95 GLU HB3 H 1 1.98 0.01 . 2 . . . . 95 GLU HB3 . 6645 1 990 . 1 1 95 95 GLU HG2 H 1 2.53 0.01 . 2 . . . . 95 GLU HG2 . 6645 1 991 . 1 1 95 95 GLU HG3 H 1 2.44 0.01 . 2 . . . . 95 GLU HG3 . 6645 1 992 . 1 1 95 95 GLU C C 13 175.74 0.3 . 1 . . . . 95 GLU C . 6645 1 993 . 1 1 95 95 GLU CA C 13 56.92 0.3 . 1 . . . . 95 GLU CA . 6645 1 994 . 1 1 95 95 GLU CB C 13 30.32 0.3 . 1 . . . . 95 GLU CB . 6645 1 995 . 1 1 95 95 GLU CG C 13 36.43 0.3 . 1 . . . . 95 GLU CG . 6645 1 996 . 1 1 95 95 GLU N N 15 119.72 0.5 . 1 . . . . 95 GLU N . 6645 1 997 . 1 1 96 96 THR H H 1 7.71 0.01 . 1 . . . . 96 THR H . 6645 1 998 . 1 1 96 96 THR HA H 1 5.10 0.01 . 1 . . . . 96 THR HA . 6645 1 999 . 1 1 96 96 THR HB H 1 4.18 0.01 . 1 . . . . 96 THR HB . 6645 1 1000 . 1 1 96 96 THR HG21 H 1 0.61 0.01 . 1 . . . . 96 THR HG2 . 6645 1 1001 . 1 1 96 96 THR HG22 H 1 0.61 0.01 . 1 . . . . 96 THR HG2 . 6645 1 1002 . 1 1 96 96 THR HG23 H 1 0.61 0.01 . 1 . . . . 96 THR HG2 . 6645 1 1003 . 1 1 96 96 THR C C 13 171.02 0.3 . 1 . . . . 96 THR C . 6645 1 1004 . 1 1 96 96 THR CA C 13 61.54 0.3 . 1 . . . . 96 THR CA . 6645 1 1005 . 1 1 96 96 THR CB C 13 71.77 0.3 . 1 . . . . 96 THR CB . 6645 1 1006 . 1 1 96 96 THR CG2 C 13 21.38 0.3 . 1 . . . . 96 THR CG2 . 6645 1 1007 . 1 1 96 96 THR N N 15 118.36 0.5 . 1 . . . . 96 THR N . 6645 1 1008 . 1 1 97 97 ALA H H 1 8.44 0.01 . 1 . . . . 97 ALA H . 6645 1 1009 . 1 1 97 97 ALA HA H 1 5.02 0.01 . 1 . . . . 97 ALA HA . 6645 1 1010 . 1 1 97 97 ALA HB1 H 1 1.07 0.01 . 1 . . . . 97 ALA HB . 6645 1 1011 . 1 1 97 97 ALA HB2 H 1 1.07 0.01 . 1 . . . . 97 ALA HB . 6645 1 1012 . 1 1 97 97 ALA HB3 H 1 1.07 0.01 . 1 . . . . 97 ALA HB . 6645 1 1013 . 1 1 97 97 ALA C C 13 173.37 0.3 . 1 . . . . 97 ALA C . 6645 1 1014 . 1 1 97 97 ALA CA C 13 50.22 0.3 . 1 . . . . 97 ALA CA . 6645 1 1015 . 1 1 97 97 ALA CB C 13 19.67 0.3 . 1 . . . . 97 ALA CB . 6645 1 1016 . 1 1 97 97 ALA N N 15 123.40 0.5 . 1 . . . . 97 ALA N . 6645 1 1017 . 1 1 98 98 TYR H H 1 8.60 0.01 . 1 . . . . 98 TYR H . 6645 1 1018 . 1 1 98 98 TYR HA H 1 5.29 0.01 . 1 . . . . 98 TYR HA . 6645 1 1019 . 1 1 98 98 TYR HB2 H 1 2.89 0.01 . 1 . . . . 98 TYR HB2 . 6645 1 1020 . 1 1 98 98 TYR HB3 H 1 2.89 0.01 . 1 . . . . 98 TYR HB3 . 6645 1 1021 . 1 1 98 98 TYR C C 13 175.34 0.3 . 1 . . . . 98 TYR C . 6645 1 1022 . 1 1 98 98 TYR CA C 13 56.76 0.3 . 1 . . . . 98 TYR CA . 6645 1 1023 . 1 1 98 98 TYR CB C 13 40.74 0.3 . 1 . . . . 98 TYR CB . 6645 1 1024 . 1 1 98 98 TYR N N 15 120.17 0.5 . 1 . . . . 98 TYR N . 6645 1 1025 . 1 1 99 99 VAL H H 1 9.85 0.01 . 1 . . . . 99 VAL H . 6645 1 1026 . 1 1 99 99 VAL HA H 1 6.11 0.01 . 1 . . . . 99 VAL HA . 6645 1 1027 . 1 1 99 99 VAL HB H 1 2.18 0.01 . 1 . . . . 99 VAL HB . 6645 1 1028 . 1 1 99 99 VAL HG11 H 1 0.43 0.01 . 2 . . . . 99 VAL HG1 . 6645 1 1029 . 1 1 99 99 VAL HG12 H 1 0.43 0.01 . 2 . . . . 99 VAL HG1 . 6645 1 1030 . 1 1 99 99 VAL HG13 H 1 0.43 0.01 . 2 . . . . 99 VAL HG1 . 6645 1 1031 . 1 1 99 99 VAL HG21 H 1 0.87 0.01 . 2 . . . . 99 VAL HG2 . 6645 1 1032 . 1 1 99 99 VAL HG22 H 1 0.87 0.01 . 2 . . . . 99 VAL HG2 . 6645 1 1033 . 1 1 99 99 VAL HG23 H 1 0.87 0.01 . 2 . . . . 99 VAL HG2 . 6645 1 1034 . 1 1 99 99 VAL C C 13 177.51 0.3 . 1 . . . . 99 VAL C . 6645 1 1035 . 1 1 99 99 VAL CA C 13 61.69 0.3 . 1 . . . . 99 VAL CA . 6645 1 1036 . 1 1 99 99 VAL CB C 13 33.85 0.3 . 1 . . . . 99 VAL CB . 6645 1 1037 . 1 1 99 99 VAL CG1 C 13 19.20 0.3 . 2 . . . . 99 VAL CG1 . 6645 1 1038 . 1 1 99 99 VAL CG2 C 13 21.42 0.3 . 2 . . . . 99 VAL CG2 . 6645 1 1039 . 1 1 99 99 VAL N N 15 125.63 0.5 . 1 . . . . 99 VAL N . 6645 1 1040 . 1 1 100 100 ILE H H 1 8.73 0.01 . 1 . . . . 100 ILE H . 6645 1 1041 . 1 1 100 100 ILE HA H 1 5.68 0.01 . 1 . . . . 100 ILE HA . 6645 1 1042 . 1 1 100 100 ILE HB H 1 2.20 0.01 . 1 . . . . 100 ILE HB . 6645 1 1043 . 1 1 100 100 ILE HG12 H 1 1.16 0.01 . 1 . . . . 100 ILE HG12 . 6645 1 1044 . 1 1 100 100 ILE HG13 H 1 1.16 0.01 . 1 . . . . 100 ILE HG13 . 6645 1 1045 . 1 1 100 100 ILE HG21 H 1 0.47 0.01 . 1 . . . . 100 ILE HG2 . 6645 1 1046 . 1 1 100 100 ILE HG22 H 1 0.47 0.01 . 1 . . . . 100 ILE HG2 . 6645 1 1047 . 1 1 100 100 ILE HG23 H 1 0.47 0.01 . 1 . . . . 100 ILE HG2 . 6645 1 1048 . 1 1 100 100 ILE HD11 H 1 0.98 0.01 . 1 . . . . 100 ILE HD1 . 6645 1 1049 . 1 1 100 100 ILE HD12 H 1 0.98 0.01 . 1 . . . . 100 ILE HD1 . 6645 1 1050 . 1 1 100 100 ILE HD13 H 1 0.98 0.01 . 1 . . . . 100 ILE HD1 . 6645 1 1051 . 1 1 100 100 ILE C C 13 174.93 0.3 . 1 . . . . 100 ILE C . 6645 1 1052 . 1 1 100 100 ILE CA C 13 61.67 0.3 . 1 . . . . 100 ILE CA . 6645 1 1053 . 1 1 100 100 ILE CB C 13 37.91 0.3 . 1 . . . . 100 ILE CB . 6645 1 1054 . 1 1 100 100 ILE CG1 C 13 25.20 0.3 . 2 . . . . 100 ILE CG1 . 6645 1 1055 . 1 1 100 100 ILE CG2 C 13 18.91 0.3 . 2 . . . . 100 ILE CG2 . 6645 1 1056 . 1 1 100 100 ILE CD1 C 13 10.10 0.3 . 1 . . . . 100 ILE CD1 . 6645 1 1057 . 1 1 100 100 ILE N N 15 117.36 0.5 . 1 . . . . 100 ILE N . 6645 1 1058 . 1 1 101 101 GLY H H 1 6.13 0.01 . 1 . . . . 101 GLY H . 6645 1 1059 . 1 1 101 101 GLY HA2 H 1 4.36 0.01 . 2 . . . . 101 GLY HA2 . 6645 1 1060 . 1 1 101 101 GLY HA3 H 1 4.34 0.01 . 2 . . . . 101 GLY HA3 . 6645 1 1061 . 1 1 101 101 GLY C C 13 174.84 0.3 . 1 . . . . 101 GLY C . 6645 1 1062 . 1 1 101 101 GLY CA C 13 42.04 0.3 . 1 . . . . 101 GLY CA . 6645 1 1063 . 1 1 101 101 GLY N N 15 102.73 0.5 . 1 . . . . 101 GLY N . 6645 1 1064 . 1 1 102 102 GLY H H 1 8.03 0.01 . 1 . . . . 102 GLY H . 6645 1 1065 . 1 1 102 102 GLY HA2 H 1 4.25 0.01 . 1 . . . . 102 GLY HA2 . 6645 1 1066 . 1 1 102 102 GLY HA3 H 1 4.25 0.01 . 1 . . . . 102 GLY HA3 . 6645 1 1067 . 1 1 102 102 GLY C C 13 175.19 0.3 . 1 . . . . 102 GLY C . 6645 1 1068 . 1 1 102 102 GLY CA C 13 45.81 0.3 . 1 . . . . 102 GLY CA . 6645 1 1069 . 1 1 102 102 GLY N N 15 108.62 0.5 . 1 . . . . 102 GLY N . 6645 1 1070 . 1 1 103 103 ALA H H 1 9.31 0.01 . 1 . . . . 103 ALA H . 6645 1 1071 . 1 1 103 103 ALA HA H 1 4.23 0.01 . 1 . . . . 103 ALA HA . 6645 1 1072 . 1 1 103 103 ALA HB1 H 1 1.70 0.01 . 1 . . . . 103 ALA HB . 6645 1 1073 . 1 1 103 103 ALA HB2 H 1 1.70 0.01 . 1 . . . . 103 ALA HB . 6645 1 1074 . 1 1 103 103 ALA HB3 H 1 1.70 0.01 . 1 . . . . 103 ALA HB . 6645 1 1075 . 1 1 103 103 ALA C C 13 182.49 0.3 . 1 . . . . 103 ALA C . 6645 1 1076 . 1 1 103 103 ALA CA C 13 57.23 0.3 . 1 . . . . 103 ALA CA . 6645 1 1077 . 1 1 103 103 ALA CB C 13 19.43 0.3 . 1 . . . . 103 ALA CB . 6645 1 1078 . 1 1 103 103 ALA N N 15 125.02 0.5 . 1 . . . . 103 ALA N . 6645 1 1079 . 1 1 104 104 ALA H H 1 8.42 0.01 . 1 . . . . 104 ALA H . 6645 1 1080 . 1 1 104 104 ALA HA H 1 3.94 0.01 . 1 . . . . 104 ALA HA . 6645 1 1081 . 1 1 104 104 ALA HB1 H 1 1.74 0.01 . 1 . . . . 104 ALA HB . 6645 1 1082 . 1 1 104 104 ALA HB2 H 1 1.74 0.01 . 1 . . . . 104 ALA HB . 6645 1 1083 . 1 1 104 104 ALA HB3 H 1 1.74 0.01 . 1 . . . . 104 ALA HB . 6645 1 1084 . 1 1 104 104 ALA C C 13 180.39 0.3 . 1 . . . . 104 ALA C . 6645 1 1085 . 1 1 104 104 ALA CA C 13 55.13 0.3 . 1 . . . . 104 ALA CA . 6645 1 1086 . 1 1 104 104 ALA CB C 13 18.01 0.3 . 1 . . . . 104 ALA CB . 6645 1 1087 . 1 1 104 104 ALA N N 15 118.33 0.5 . 1 . . . . 104 ALA N . 6645 1 1088 . 1 1 105 105 ILE H H 1 7.58 0.01 . 1 . . . . 105 ILE H . 6645 1 1089 . 1 1 105 105 ILE HA H 1 4.14 0.01 . 1 . . . . 105 ILE HA . 6645 1 1090 . 1 1 105 105 ILE HB H 1 2.26 0.01 . 1 . . . . 105 ILE HB . 6645 1 1091 . 1 1 105 105 ILE HG12 H 1 1.39 0.01 . 2 . . . . 105 ILE HG12 . 6645 1 1092 . 1 1 105 105 ILE HG13 H 1 1.19 0.01 . 2 . . . . 105 ILE HG13 . 6645 1 1093 . 1 1 105 105 ILE HG21 H 1 0.93 0.01 . 1 . . . . 105 ILE HG2 . 6645 1 1094 . 1 1 105 105 ILE HG22 H 1 0.93 0.01 . 1 . . . . 105 ILE HG2 . 6645 1 1095 . 1 1 105 105 ILE HG23 H 1 0.93 0.01 . 1 . . . . 105 ILE HG2 . 6645 1 1096 . 1 1 105 105 ILE HD11 H 1 1.00 0.01 . 1 . . . . 105 ILE HD1 . 6645 1 1097 . 1 1 105 105 ILE HD12 H 1 1.00 0.01 . 1 . . . . 105 ILE HD1 . 6645 1 1098 . 1 1 105 105 ILE HD13 H 1 1.00 0.01 . 1 . . . . 105 ILE HD1 . 6645 1 1099 . 1 1 105 105 ILE C C 13 179.23 0.3 . 1 . . . . 105 ILE C . 6645 1 1100 . 1 1 105 105 ILE CA C 13 61.70 0.3 . 1 . . . . 105 ILE CA . 6645 1 1101 . 1 1 105 105 ILE CB C 13 34.79 0.3 . 1 . . . . 105 ILE CB . 6645 1 1102 . 1 1 105 105 ILE CG1 C 13 22.11 0.3 . 2 . . . . 105 ILE CG1 . 6645 1 1103 . 1 1 105 105 ILE CG2 C 13 18.17 0.3 . 2 . . . . 105 ILE CG2 . 6645 1 1104 . 1 1 105 105 ILE CD1 C 13 9.85 0.3 . 1 . . . . 105 ILE CD1 . 6645 1 1105 . 1 1 105 105 ILE N N 15 120.11 0.5 . 1 . . . . 105 ILE N . 6645 1 1106 . 1 1 106 106 TYR H H 1 8.83 0.01 . 1 . . . . 106 TYR H . 6645 1 1107 . 1 1 106 106 TYR HA H 1 4.42 0.01 . 1 . . . . 106 TYR HA . 6645 1 1108 . 1 1 106 106 TYR HB2 H 1 2.77 0.01 . 2 . . . . 106 TYR HB2 . 6645 1 1109 . 1 1 106 106 TYR HB3 H 1 3.02 0.01 . 2 . . . . 106 TYR HB3 . 6645 1 1110 . 1 1 106 106 TYR C C 13 179.59 0.3 . 1 . . . . 106 TYR C . 6645 1 1111 . 1 1 106 106 TYR CA C 13 60.36 0.3 . 1 . . . . 106 TYR CA . 6645 1 1112 . 1 1 106 106 TYR CB C 13 37.72 0.3 . 1 . . . . 106 TYR CB . 6645 1 1113 . 1 1 106 106 TYR N N 15 119.36 0.5 . 1 . . . . 106 TYR N . 6645 1 1114 . 1 1 107 107 ALA H H 1 8.42 0.01 . 1 . . . . 107 ALA H . 6645 1 1115 . 1 1 107 107 ALA HA H 1 4.17 0.01 . 1 . . . . 107 ALA HA . 6645 1 1116 . 1 1 107 107 ALA HB1 H 1 1.76 0.01 . 1 . . . . 107 ALA HB . 6645 1 1117 . 1 1 107 107 ALA HB2 H 1 1.76 0.01 . 1 . . . . 107 ALA HB . 6645 1 1118 . 1 1 107 107 ALA HB3 H 1 1.76 0.01 . 1 . . . . 107 ALA HB . 6645 1 1119 . 1 1 107 107 ALA C C 13 179.66 0.3 . 1 . . . . 107 ALA C . 6645 1 1120 . 1 1 107 107 ALA CA C 13 55.38 0.3 . 1 . . . . 107 ALA CA . 6645 1 1121 . 1 1 107 107 ALA CB C 13 17.55 0.3 . 1 . . . . 107 ALA CB . 6645 1 1122 . 1 1 107 107 ALA N N 15 119.45 0.5 . 1 . . . . 107 ALA N . 6645 1 1123 . 1 1 108 108 LEU H H 1 7.91 0.01 . 1 . . . . 108 LEU H . 6645 1 1124 . 1 1 108 108 LEU HA H 1 4.23 0.01 . 1 . . . . 108 LEU HA . 6645 1 1125 . 1 1 108 108 LEU HB2 H 1 2.04 0.01 . 1 . . . . 108 LEU HB2 . 6645 1 1126 . 1 1 108 108 LEU HB3 H 1 2.04 0.01 . 1 . . . . 108 LEU HB3 . 6645 1 1127 . 1 1 108 108 LEU HG H 1 1.52 0.01 . 1 . . . . 108 LEU HG . 6645 1 1128 . 1 1 108 108 LEU HD11 H 1 0.96 0.01 . 2 . . . . 108 LEU HD1 . 6645 1 1129 . 1 1 108 108 LEU HD12 H 1 0.96 0.01 . 2 . . . . 108 LEU HD1 . 6645 1 1130 . 1 1 108 108 LEU HD13 H 1 0.96 0.01 . 2 . . . . 108 LEU HD1 . 6645 1 1131 . 1 1 108 108 LEU HD21 H 1 1.06 0.01 . 2 . . . . 108 LEU HD2 . 6645 1 1132 . 1 1 108 108 LEU HD22 H 1 1.06 0.01 . 2 . . . . 108 LEU HD2 . 6645 1 1133 . 1 1 108 108 LEU HD23 H 1 1.06 0.01 . 2 . . . . 108 LEU HD2 . 6645 1 1134 . 1 1 108 108 LEU C C 13 178.45 0.3 . 1 . . . . 108 LEU C . 6645 1 1135 . 1 1 108 108 LEU CA C 13 57.31 0.3 . 1 . . . . 108 LEU CA . 6645 1 1136 . 1 1 108 108 LEU CB C 13 42.88 0.3 . 1 . . . . 108 LEU CB . 6645 1 1137 . 1 1 108 108 LEU CG C 13 25.53 0.3 . 1 . . . . 108 LEU CG . 6645 1 1138 . 1 1 108 108 LEU CD1 C 13 25.53 0.3 . 2 . . . . 108 LEU CD1 . 6645 1 1139 . 1 1 108 108 LEU CD2 C 13 23.13 0.3 . 2 . . . . 108 LEU CD2 . 6645 1 1140 . 1 1 108 108 LEU N N 15 118.97 0.5 . 1 . . . . 108 LEU N . 6645 1 1141 . 1 1 109 109 PHE H H 1 8.21 0.01 . 1 . . . . 109 PHE H . 6645 1 1142 . 1 1 109 109 PHE HA H 1 4.40 0.01 . 1 . . . . 109 PHE HA . 6645 1 1143 . 1 1 109 109 PHE HB2 H 1 3.31 0.01 . 2 . . . . 109 PHE HB2 . 6645 1 1144 . 1 1 109 109 PHE HB3 H 1 2.52 0.01 . 2 . . . . 109 PHE HB3 . 6645 1 1145 . 1 1 109 109 PHE C C 13 177.20 0.3 . 1 . . . . 109 PHE C . 6645 1 1146 . 1 1 109 109 PHE CA C 13 61.21 0.3 . 1 . . . . 109 PHE CA . 6645 1 1147 . 1 1 109 109 PHE CB C 13 40.73 0.3 . 1 . . . . 109 PHE CB . 6645 1 1148 . 1 1 109 109 PHE N N 15 111.26 0.5 . 1 . . . . 109 PHE N . 6645 1 1149 . 1 1 110 110 GLN H H 1 8.30 0.01 . 1 . . . . 110 GLN H . 6645 1 1150 . 1 1 110 110 GLN HA H 1 3.98 0.01 . 1 . . . . 110 GLN HA . 6645 1 1151 . 1 1 110 110 GLN HB2 H 1 2.11 0.01 . 1 . . . . 110 GLN HB2 . 6645 1 1152 . 1 1 110 110 GLN HB3 H 1 2.11 0.01 . 1 . . . . 110 GLN HB3 . 6645 1 1153 . 1 1 110 110 GLN HG2 H 1 2.28 0.01 . 1 . . . . 110 GLN HG2 . 6645 1 1154 . 1 1 110 110 GLN HG3 H 1 2.28 0.01 . 1 . . . . 110 GLN HG3 . 6645 1 1155 . 1 1 110 110 GLN CA C 13 60.38 0.3 . 1 . . . . 110 GLN CA . 6645 1 1156 . 1 1 110 110 GLN CB C 13 24.32 0.3 . 1 . . . . 110 GLN CB . 6645 1 1157 . 1 1 110 110 GLN CG C 13 36.58 0.3 . 1 . . . . 110 GLN CG . 6645 1 1158 . 1 1 110 110 GLN N N 15 122.09 0.5 . 1 . . . . 110 GLN N . 6645 1 1159 . 1 1 111 111 PRO C C 13 176.93 0.3 . 1 . . . . 111 PRO C . 6645 1 1160 . 1 1 111 111 PRO CA C 13 62.57 0.3 . 1 . . . . 111 PRO CA . 6645 1 1161 . 1 1 111 111 PRO CB C 13 30.90 0.3 . 1 . . . . 111 PRO CB . 6645 1 1162 . 1 1 111 111 PRO CG C 13 26.30 0.3 . 1 . . . . 111 PRO CG . 6645 1 1163 . 1 1 111 111 PRO CD C 13 50.07 0.3 . 1 . . . . 111 PRO CD . 6645 1 1164 . 1 1 112 112 HIS H H 1 8.47 0.01 . 1 . . . . 112 HIS H . 6645 1 1165 . 1 1 112 112 HIS HA H 1 4.60 0.01 . 1 . . . . 112 HIS HA . 6645 1 1166 . 1 1 112 112 HIS HB2 H 1 3.26 0.01 . 2 . . . . 112 HIS HB2 . 6645 1 1167 . 1 1 112 112 HIS HB3 H 1 3.48 0.01 . 2 . . . . 112 HIS HB3 . 6645 1 1168 . 1 1 112 112 HIS C C 13 175.74 0.3 . 1 . . . . 112 HIS C . 6645 1 1169 . 1 1 112 112 HIS CA C 13 55.33 0.3 . 1 . . . . 112 HIS CA . 6645 1 1170 . 1 1 112 112 HIS CB C 13 31.76 0.3 . 1 . . . . 112 HIS CB . 6645 1 1171 . 1 1 112 112 HIS N N 15 114.94 0.5 . 1 . . . . 112 HIS N . 6645 1 1172 . 1 1 113 113 LEU H H 1 7.60 0.01 . 1 . . . . 113 LEU H . 6645 1 1173 . 1 1 113 113 LEU HA H 1 4.37 0.01 . 1 . . . . 113 LEU HA . 6645 1 1174 . 1 1 113 113 LEU HB2 H 1 2.18 0.01 . 2 . . . . 113 LEU HB2 . 6645 1 1175 . 1 1 113 113 LEU HB3 H 1 1.41 0.01 . 2 . . . . 113 LEU HB3 . 6645 1 1176 . 1 1 113 113 LEU HG H 1 1.51 0.01 . 1 . . . . 113 LEU HG . 6645 1 1177 . 1 1 113 113 LEU HD11 H 1 1.26 0.01 . 2 . . . . 113 LEU HD1 . 6645 1 1178 . 1 1 113 113 LEU HD12 H 1 1.26 0.01 . 2 . . . . 113 LEU HD1 . 6645 1 1179 . 1 1 113 113 LEU HD13 H 1 1.26 0.01 . 2 . . . . 113 LEU HD1 . 6645 1 1180 . 1 1 113 113 LEU HD21 H 1 1.12 0.01 . 2 . . . . 113 LEU HD2 . 6645 1 1181 . 1 1 113 113 LEU HD22 H 1 1.12 0.01 . 2 . . . . 113 LEU HD2 . 6645 1 1182 . 1 1 113 113 LEU HD23 H 1 1.12 0.01 . 2 . . . . 113 LEU HD2 . 6645 1 1183 . 1 1 113 113 LEU C C 13 177.38 0.3 . 1 . . . . 113 LEU C . 6645 1 1184 . 1 1 113 113 LEU CA C 13 55.84 0.3 . 1 . . . . 113 LEU CA . 6645 1 1185 . 1 1 113 113 LEU CB C 13 43.85 0.3 . 1 . . . . 113 LEU CB . 6645 1 1186 . 1 1 113 113 LEU CG C 13 25.99 0.3 . 1 . . . . 113 LEU CG . 6645 1 1187 . 1 1 113 113 LEU CD1 C 13 22.70 0.3 . 2 . . . . 113 LEU CD1 . 6645 1 1188 . 1 1 113 113 LEU CD2 C 13 23.33 0.3 . 2 . . . . 113 LEU CD2 . 6645 1 1189 . 1 1 113 113 LEU N N 15 116.49 0.5 . 1 . . . . 113 LEU N . 6645 1 1190 . 1 1 114 114 ASP H H 1 9.85 0.01 . 1 . . . . 114 ASP H . 6645 1 1191 . 1 1 114 114 ASP HA H 1 4.85 0.01 . 1 . . . . 114 ASP HA . 6645 1 1192 . 1 1 114 114 ASP HB2 H 1 2.81 0.01 . 2 . . . . 114 ASP HB2 . 6645 1 1193 . 1 1 114 114 ASP HB3 H 1 2.72 0.01 . 2 . . . . 114 ASP HB3 . 6645 1 1194 . 1 1 114 114 ASP C C 13 176.58 0.3 . 1 . . . . 114 ASP C . 6645 1 1195 . 1 1 114 114 ASP CA C 13 56.33 0.3 . 1 . . . . 114 ASP CA . 6645 1 1196 . 1 1 114 114 ASP CB C 13 44.95 0.3 . 1 . . . . 114 ASP CB . 6645 1 1197 . 1 1 114 114 ASP N N 15 117.87 0.5 . 1 . . . . 114 ASP N . 6645 1 1198 . 1 1 115 115 ARG H H 1 8.33 0.01 . 1 . . . . 115 ARG H . 6645 1 1199 . 1 1 115 115 ARG HA H 1 5.02 0.01 . 1 . . . . 115 ARG HA . 6645 1 1200 . 1 1 115 115 ARG HB2 H 1 2.11 0.01 . 2 . . . . 115 ARG HB2 . 6645 1 1201 . 1 1 115 115 ARG HB3 H 1 2.45 0.01 . 2 . . . . 115 ARG HB3 . 6645 1 1202 . 1 1 115 115 ARG HG2 H 1 1.24 0.01 . 2 . . . . 115 ARG HG2 . 6645 1 1203 . 1 1 115 115 ARG HG3 H 1 1.47 0.01 . 2 . . . . 115 ARG HG3 . 6645 1 1204 . 1 1 115 115 ARG HD2 H 1 3.49 0.01 . 1 . . . . 115 ARG HD2 . 6645 1 1205 . 1 1 115 115 ARG HD3 H 1 3.49 0.01 . 1 . . . . 115 ARG HD3 . 6645 1 1206 . 1 1 115 115 ARG C C 13 175.88 0.3 . 1 . . . . 115 ARG C . 6645 1 1207 . 1 1 115 115 ARG CA C 13 55.49 0.3 . 1 . . . . 115 ARG CA . 6645 1 1208 . 1 1 115 115 ARG CB C 13 29.19 0.3 . 1 . . . . 115 ARG CB . 6645 1 1209 . 1 1 115 115 ARG CG C 13 28.50 0.3 . 1 . . . . 115 ARG CG . 6645 1 1210 . 1 1 115 115 ARG CD C 13 43.42 0.3 . 1 . . . . 115 ARG CD . 6645 1 1211 . 1 1 115 115 ARG N N 15 116.54 0.5 . 1 . . . . 115 ARG N . 6645 1 1212 . 1 1 116 116 MET H H 1 7.75 0.01 . 1 . . . . 116 MET H . 6645 1 1213 . 1 1 116 116 MET HA H 1 5.23 0.01 . 1 . . . . 116 MET HA . 6645 1 1214 . 1 1 116 116 MET HB2 H 1 1.58 0.01 . 2 . . . . 116 MET HB2 . 6645 1 1215 . 1 1 116 116 MET HB3 H 1 1.63 0.01 . 2 . . . . 116 MET HB3 . 6645 1 1216 . 1 1 116 116 MET HG2 H 1 2.65 0.01 . 1 . . . . 116 MET HG2 . 6645 1 1217 . 1 1 116 116 MET HG3 H 1 2.65 0.01 . 1 . . . . 116 MET HG3 . 6645 1 1218 . 1 1 116 116 MET C C 13 174.78 0.3 . 1 . . . . 116 MET C . 6645 1 1219 . 1 1 116 116 MET CA C 13 55.53 0.3 . 1 . . . . 116 MET CA . 6645 1 1220 . 1 1 116 116 MET CB C 13 29.01 0.3 . 1 . . . . 116 MET CB . 6645 1 1221 . 1 1 116 116 MET CG C 13 31.52 0.3 . 1 . . . . 116 MET CG . 6645 1 1222 . 1 1 116 116 MET N N 15 121.65 0.5 . 1 . . . . 116 MET N . 6645 1 1223 . 1 1 117 117 VAL H H 1 9.44 0.01 . 1 . . . . 117 VAL H . 6645 1 1224 . 1 1 117 117 VAL HA H 1 5.03 0.01 . 1 . . . . 117 VAL HA . 6645 1 1225 . 1 1 117 117 VAL HB H 1 2.52 0.01 . 1 . . . . 117 VAL HB . 6645 1 1226 . 1 1 117 117 VAL HG11 H 1 0.88 0.01 . 2 . . . . 117 VAL HG1 . 6645 1 1227 . 1 1 117 117 VAL HG12 H 1 0.88 0.01 . 2 . . . . 117 VAL HG1 . 6645 1 1228 . 1 1 117 117 VAL HG13 H 1 0.88 0.01 . 2 . . . . 117 VAL HG1 . 6645 1 1229 . 1 1 117 117 VAL HG21 H 1 1.10 0.01 . 2 . . . . 117 VAL HG2 . 6645 1 1230 . 1 1 117 117 VAL HG22 H 1 1.10 0.01 . 2 . . . . 117 VAL HG2 . 6645 1 1231 . 1 1 117 117 VAL HG23 H 1 1.10 0.01 . 2 . . . . 117 VAL HG2 . 6645 1 1232 . 1 1 117 117 VAL C C 13 175.19 0.3 . 1 . . . . 117 VAL C . 6645 1 1233 . 1 1 117 117 VAL CA C 13 62.28 0.3 . 1 . . . . 117 VAL CA . 6645 1 1234 . 1 1 117 117 VAL CB C 13 30.85 0.3 . 1 . . . . 117 VAL CB . 6645 1 1235 . 1 1 117 117 VAL CG1 C 13 20.80 0.3 . 2 . . . . 117 VAL CG1 . 6645 1 1236 . 1 1 117 117 VAL CG2 C 13 19.89 0.3 . 2 . . . . 117 VAL CG2 . 6645 1 1237 . 1 1 117 117 VAL N N 15 126.13 0.5 . 1 . . . . 117 VAL N . 6645 1 1238 . 1 1 118 118 LEU H H 1 9.30 0.01 . 1 . . . . 118 LEU H . 6645 1 1239 . 1 1 118 118 LEU HA H 1 5.54 0.01 . 1 . . . . 118 LEU HA . 6645 1 1240 . 1 1 118 118 LEU HB2 H 1 0.12 0.01 . 2 . . . . 118 LEU HB2 . 6645 1 1241 . 1 1 118 118 LEU HB3 H 1 1.14 0.01 . 2 . . . . 118 LEU HB3 . 6645 1 1242 . 1 1 118 118 LEU HG H 1 0.41 0.01 . 1 . . . . 118 LEU HG . 6645 1 1243 . 1 1 118 118 LEU HD11 H 1 0.20 0.01 . 2 . . . . 118 LEU HD1 . 6645 1 1244 . 1 1 118 118 LEU HD12 H 1 0.20 0.01 . 2 . . . . 118 LEU HD1 . 6645 1 1245 . 1 1 118 118 LEU HD13 H 1 0.20 0.01 . 2 . . . . 118 LEU HD1 . 6645 1 1246 . 1 1 118 118 LEU HD21 H 1 0.11 0.01 . 2 . . . . 118 LEU HD2 . 6645 1 1247 . 1 1 118 118 LEU HD22 H 1 0.11 0.01 . 2 . . . . 118 LEU HD2 . 6645 1 1248 . 1 1 118 118 LEU HD23 H 1 0.11 0.01 . 2 . . . . 118 LEU HD2 . 6645 1 1249 . 1 1 118 118 LEU C C 13 176.56 0.3 . 1 . . . . 118 LEU C . 6645 1 1250 . 1 1 118 118 LEU CA C 13 52.11 0.3 . 1 . . . . 118 LEU CA . 6645 1 1251 . 1 1 118 118 LEU CB C 13 43.97 0.3 . 1 . . . . 118 LEU CB . 6645 1 1252 . 1 1 118 118 LEU CG C 13 26.38 0.3 . 1 . . . . 118 LEU CG . 6645 1 1253 . 1 1 118 118 LEU CD1 C 13 19.27 0.3 . 2 . . . . 118 LEU CD1 . 6645 1 1254 . 1 1 118 118 LEU CD2 C 13 19.47 0.3 . 2 . . . . 118 LEU CD2 . 6645 1 1255 . 1 1 118 118 LEU N N 15 125.36 0.5 . 1 . . . . 118 LEU N . 6645 1 1256 . 1 1 119 119 SER H H 1 9.69 0.01 . 1 . . . . 119 SER H . 6645 1 1257 . 1 1 119 119 SER HA H 1 5.23 0.01 . 1 . . . . 119 SER HA . 6645 1 1258 . 1 1 119 119 SER HB2 H 1 3.85 0.01 . 1 . . . . 119 SER HB2 . 6645 1 1259 . 1 1 119 119 SER HB3 H 1 3.85 0.01 . 1 . . . . 119 SER HB3 . 6645 1 1260 . 1 1 119 119 SER C C 13 172.95 0.3 . 1 . . . . 119 SER C . 6645 1 1261 . 1 1 119 119 SER CA C 13 57.32 0.3 . 1 . . . . 119 SER CA . 6645 1 1262 . 1 1 119 119 SER CB C 13 61.33 0.3 . 1 . . . . 119 SER CB . 6645 1 1263 . 1 1 119 119 SER N N 15 122.67 0.5 . 1 . . . . 119 SER N . 6645 1 1264 . 1 1 120 120 ARG H H 1 9.93 0.01 . 1 . . . . 120 ARG H . 6645 1 1265 . 1 1 120 120 ARG HA H 1 5.48 0.01 . 1 . . . . 120 ARG HA . 6645 1 1266 . 1 1 120 120 ARG HB2 H 1 1.51 0.01 . 1 . . . . 120 ARG HB2 . 6645 1 1267 . 1 1 120 120 ARG HB3 H 1 1.51 0.01 . 1 . . . . 120 ARG HB3 . 6645 1 1268 . 1 1 120 120 ARG HG2 H 1 1.11 0.01 . 2 . . . . 120 ARG HG2 . 6645 1 1269 . 1 1 120 120 ARG HG3 H 1 1.03 0.01 . 2 . . . . 120 ARG HG3 . 6645 1 1270 . 1 1 120 120 ARG HD2 H 1 3.28 0.01 . 1 . . . . 120 ARG HD2 . 6645 1 1271 . 1 1 120 120 ARG HD3 H 1 3.28 0.01 . 1 . . . . 120 ARG HD3 . 6645 1 1272 . 1 1 120 120 ARG C C 13 175.85 0.3 . 1 . . . . 120 ARG C . 6645 1 1273 . 1 1 120 120 ARG CA C 13 52.35 0.3 . 1 . . . . 120 ARG CA . 6645 1 1274 . 1 1 120 120 ARG CB C 13 26.05 0.3 . 1 . . . . 120 ARG CB . 6645 1 1275 . 1 1 120 120 ARG CG C 13 25.06 0.3 . 1 . . . . 120 ARG CG . 6645 1 1276 . 1 1 120 120 ARG CD C 13 41.94 0.3 . 1 . . . . 120 ARG CD . 6645 1 1277 . 1 1 120 120 ARG N N 15 124.19 0.5 . 1 . . . . 120 ARG N . 6645 1 1278 . 1 1 121 121 VAL H H 1 8.80 0.01 . 1 . . . . 121 VAL H . 6645 1 1279 . 1 1 121 121 VAL HA H 1 6.09 0.01 . 1 . . . . 121 VAL HA . 6645 1 1280 . 1 1 121 121 VAL HB H 1 2.12 0.01 . 1 . . . . 121 VAL HB . 6645 1 1281 . 1 1 121 121 VAL HG11 H 1 -0.10 0.01 . 2 . . . . 121 VAL HG1 . 6645 1 1282 . 1 1 121 121 VAL HG12 H 1 -0.10 0.01 . 2 . . . . 121 VAL HG1 . 6645 1 1283 . 1 1 121 121 VAL HG13 H 1 -0.10 0.01 . 2 . . . . 121 VAL HG1 . 6645 1 1284 . 1 1 121 121 VAL HG21 H 1 1.02 0.01 . 2 . . . . 121 VAL HG2 . 6645 1 1285 . 1 1 121 121 VAL HG22 H 1 1.02 0.01 . 2 . . . . 121 VAL HG2 . 6645 1 1286 . 1 1 121 121 VAL HG23 H 1 1.02 0.01 . 2 . . . . 121 VAL HG2 . 6645 1 1287 . 1 1 121 121 VAL CA C 13 59.73 0.3 . 1 . . . . 121 VAL CA . 6645 1 1288 . 1 1 121 121 VAL CB C 13 33.06 0.3 . 1 . . . . 121 VAL CB . 6645 1 1289 . 1 1 121 121 VAL CG1 C 13 18.95 0.3 . 2 . . . . 121 VAL CG1 . 6645 1 1290 . 1 1 121 121 VAL CG2 C 13 19.31 0.3 . 2 . . . . 121 VAL CG2 . 6645 1 1291 . 1 1 121 121 VAL N N 15 132.22 0.5 . 1 . . . . 121 VAL N . 6645 1 1292 . 1 1 122 122 PRO HA H 1 4.61 0.01 . 1 . . . . 122 PRO HA . 6645 1 1293 . 1 1 122 122 PRO HB2 H 1 2.15 0.01 . 1 . . . . 122 PRO HB2 . 6645 1 1294 . 1 1 122 122 PRO HB3 H 1 2.15 0.01 . 1 . . . . 122 PRO HB3 . 6645 1 1295 . 1 1 122 122 PRO HG2 H 1 2.25 0.01 . 2 . . . . 122 PRO HG2 . 6645 1 1296 . 1 1 122 122 PRO HG3 H 1 1.99 0.01 . 2 . . . . 122 PRO HG3 . 6645 1 1297 . 1 1 122 122 PRO HD2 H 1 3.52 0.01 . 2 . . . . 122 PRO HD2 . 6645 1 1298 . 1 1 122 122 PRO HD3 H 1 3.60 0.01 . 2 . . . . 122 PRO HD3 . 6645 1 1299 . 1 1 122 122 PRO C C 13 177.22 0.3 . 1 . . . . 122 PRO C . 6645 1 1300 . 1 1 122 122 PRO CA C 13 63.10 0.3 . 1 . . . . 122 PRO CA . 6645 1 1301 . 1 1 122 122 PRO CB C 13 31.89 0.3 . 1 . . . . 122 PRO CB . 6645 1 1302 . 1 1 122 122 PRO CG C 13 27.70 0.3 . 1 . . . . 122 PRO CG . 6645 1 1303 . 1 1 122 122 PRO CD C 13 50.83 0.3 . 1 . . . . 122 PRO CD . 6645 1 1304 . 1 1 123 123 GLY H H 1 8.85 0.01 . 1 . . . . 123 GLY H . 6645 1 1305 . 1 1 123 123 GLY HA2 H 1 3.89 0.01 . 2 . . . . 123 GLY HA2 . 6645 1 1306 . 1 1 123 123 GLY HA3 H 1 4.48 0.01 . 2 . . . . 123 GLY HA3 . 6645 1 1307 . 1 1 123 123 GLY C C 13 172.23 0.3 . 1 . . . . 123 GLY C . 6645 1 1308 . 1 1 123 123 GLY CA C 13 44.05 0.3 . 1 . . . . 123 GLY CA . 6645 1 1309 . 1 1 123 123 GLY N N 15 109.35 0.5 . 1 . . . . 123 GLY N . 6645 1 1310 . 1 1 124 124 GLU H H 1 8.02 0.01 . 1 . . . . 124 GLU H . 6645 1 1311 . 1 1 124 124 GLU HA H 1 4.37 0.01 . 1 . . . . 124 GLU HA . 6645 1 1312 . 1 1 124 124 GLU HB2 H 1 1.96 0.01 . 1 . . . . 124 GLU HB2 . 6645 1 1313 . 1 1 124 124 GLU HB3 H 1 1.96 0.01 . 1 . . . . 124 GLU HB3 . 6645 1 1314 . 1 1 124 124 GLU HG2 H 1 2.44 0.01 . 1 . . . . 124 GLU HG2 . 6645 1 1315 . 1 1 124 124 GLU HG3 H 1 2.44 0.01 . 1 . . . . 124 GLU HG3 . 6645 1 1316 . 1 1 124 124 GLU C C 13 174.29 0.3 . 1 . . . . 124 GLU C . 6645 1 1317 . 1 1 124 124 GLU CA C 13 55.01 0.3 . 1 . . . . 124 GLU CA . 6645 1 1318 . 1 1 124 124 GLU CB C 13 30.45 0.3 . 1 . . . . 124 GLU CB . 6645 1 1319 . 1 1 124 124 GLU CG C 13 34.71 0.3 . 1 . . . . 124 GLU CG . 6645 1 1320 . 1 1 124 124 GLU N N 15 117.83 0.5 . 1 . . . . 124 GLU N . 6645 1 1321 . 1 1 125 125 TYR H H 1 8.80 0.01 . 1 . . . . 125 TYR H . 6645 1 1322 . 1 1 125 125 TYR HA H 1 4.30 0.01 . 1 . . . . 125 TYR HA . 6645 1 1323 . 1 1 125 125 TYR HB2 H 1 2.64 0.01 . 2 . . . . 125 TYR HB2 . 6645 1 1324 . 1 1 125 125 TYR HB3 H 1 3.28 0.01 . 2 . . . . 125 TYR HB3 . 6645 1 1325 . 1 1 125 125 TYR C C 13 173.75 0.3 . 1 . . . . 125 TYR C . 6645 1 1326 . 1 1 125 125 TYR CA C 13 55.77 0.3 . 1 . . . . 125 TYR CA . 6645 1 1327 . 1 1 125 125 TYR CB C 13 42.09 0.3 . 1 . . . . 125 TYR CB . 6645 1 1328 . 1 1 125 125 TYR N N 15 118.62 0.5 . 1 . . . . 125 TYR N . 6645 1 1329 . 1 1 126 126 GLU H H 1 8.95 0.01 . 1 . . . . 126 GLU H . 6645 1 1330 . 1 1 126 126 GLU HA H 1 4.23 0.01 . 1 . . . . 126 GLU HA . 6645 1 1331 . 1 1 126 126 GLU HB2 H 1 2.24 0.01 . 1 . . . . 126 GLU HB2 . 6645 1 1332 . 1 1 126 126 GLU HB3 H 1 2.24 0.01 . 1 . . . . 126 GLU HB3 . 6645 1 1333 . 1 1 126 126 GLU HG2 H 1 2.50 0.01 . 1 . . . . 126 GLU HG2 . 6645 1 1334 . 1 1 126 126 GLU HG3 H 1 2.50 0.01 . 1 . . . . 126 GLU HG3 . 6645 1 1335 . 1 1 126 126 GLU C C 13 176.37 0.3 . 1 . . . . 126 GLU C . 6645 1 1336 . 1 1 126 126 GLU CA C 13 56.07 0.3 . 1 . . . . 126 GLU CA . 6645 1 1337 . 1 1 126 126 GLU CB C 13 29.92 0.3 . 1 . . . . 126 GLU CB . 6645 1 1338 . 1 1 126 126 GLU CG C 13 36.35 0.3 . 1 . . . . 126 GLU CG . 6645 1 1339 . 1 1 126 126 GLU N N 15 122.67 0.5 . 1 . . . . 126 GLU N . 6645 1 1340 . 1 1 127 127 GLY H H 1 8.39 0.01 . 1 . . . . 127 GLY H . 6645 1 1341 . 1 1 127 127 GLY HA2 H 1 4.22 0.01 . 1 . . . . 127 GLY HA2 . 6645 1 1342 . 1 1 127 127 GLY HA3 H 1 4.22 0.01 . 1 . . . . 127 GLY HA3 . 6645 1 1343 . 1 1 127 127 GLY C C 13 171.28 0.3 . 1 . . . . 127 GLY C . 6645 1 1344 . 1 1 127 127 GLY CA C 13 45.50 0.3 . 1 . . . . 127 GLY CA . 6645 1 1345 . 1 1 127 127 GLY N N 15 108.54 0.5 . 1 . . . . 127 GLY N . 6645 1 1346 . 1 1 128 128 ASP H H 1 8.76 0.01 . 1 . . . . 128 ASP H . 6645 1 1347 . 1 1 128 128 ASP HA H 1 4.50 0.01 . 1 . . . . 128 ASP HA . 6645 1 1348 . 1 1 128 128 ASP HB2 H 1 2.96 0.01 . 1 . . . . 128 ASP HB2 . 6645 1 1349 . 1 1 128 128 ASP HB3 H 1 2.96 0.01 . 1 . . . . 128 ASP HB3 . 6645 1 1350 . 1 1 128 128 ASP C C 13 175.99 0.3 . 1 . . . . 128 ASP C . 6645 1 1351 . 1 1 128 128 ASP CA C 13 53.35 0.3 . 1 . . . . 128 ASP CA . 6645 1 1352 . 1 1 128 128 ASP CB C 13 42.32 0.3 . 1 . . . . 128 ASP CB . 6645 1 1353 . 1 1 128 128 ASP N N 15 115.48 0.5 . 1 . . . . 128 ASP N . 6645 1 1354 . 1 1 129 129 THR H H 1 7.76 0.01 . 1 . . . . 129 THR H . 6645 1 1355 . 1 1 129 129 THR HA H 1 4.98 0.01 . 1 . . . . 129 THR HA . 6645 1 1356 . 1 1 129 129 THR HB H 1 4.16 0.01 . 1 . . . . 129 THR HB . 6645 1 1357 . 1 1 129 129 THR HG21 H 1 1.46 0.01 . 1 . . . . 129 THR HG2 . 6645 1 1358 . 1 1 129 129 THR HG22 H 1 1.46 0.01 . 1 . . . . 129 THR HG2 . 6645 1 1359 . 1 1 129 129 THR HG23 H 1 1.46 0.01 . 1 . . . . 129 THR HG2 . 6645 1 1360 . 1 1 129 129 THR C C 13 173.74 0.3 . 1 . . . . 129 THR C . 6645 1 1361 . 1 1 129 129 THR CA C 13 60.56 0.3 . 1 . . . . 129 THR CA . 6645 1 1362 . 1 1 129 129 THR CB C 13 72.08 0.3 . 1 . . . . 129 THR CB . 6645 1 1363 . 1 1 129 129 THR CG2 C 13 22.54 0.3 . 1 . . . . 129 THR CG2 . 6645 1 1364 . 1 1 129 129 THR N N 15 113.20 0.5 . 1 . . . . 129 THR N . 6645 1 1365 . 1 1 130 130 TYR H H 1 8.95 0.01 . 1 . . . . 130 TYR H . 6645 1 1366 . 1 1 130 130 TYR HA H 1 4.60 0.01 . 1 . . . . 130 TYR HA . 6645 1 1367 . 1 1 130 130 TYR HB2 H 1 3.14 0.01 . 2 . . . . 130 TYR HB2 . 6645 1 1368 . 1 1 130 130 TYR HB3 H 1 2.84 0.01 . 2 . . . . 130 TYR HB3 . 6645 1 1369 . 1 1 130 130 TYR C C 13 175.24 0.3 . 1 . . . . 130 TYR C . 6645 1 1370 . 1 1 130 130 TYR CA C 13 57.28 0.3 . 1 . . . . 130 TYR CA . 6645 1 1371 . 1 1 130 130 TYR CB C 13 41.86 0.3 . 1 . . . . 130 TYR CB . 6645 1 1372 . 1 1 130 130 TYR N N 15 122.67 0.5 . 1 . . . . 130 TYR N . 6645 1 1373 . 1 1 131 131 TYR H H 1 9.14 0.01 . 1 . . . . 131 TYR H . 6645 1 1374 . 1 1 131 131 TYR HA H 1 4.71 0.01 . 1 . . . . 131 TYR HA . 6645 1 1375 . 1 1 131 131 TYR HB2 H 1 3.02 0.01 . 1 . . . . 131 TYR HB2 . 6645 1 1376 . 1 1 131 131 TYR HB3 H 1 3.02 0.01 . 1 . . . . 131 TYR HB3 . 6645 1 1377 . 1 1 131 131 TYR CA C 13 57.39 0.3 . 1 . . . . 131 TYR CA . 6645 1 1378 . 1 1 131 131 TYR CB C 13 39.90 0.3 . 1 . . . . 131 TYR CB . 6645 1 1379 . 1 1 131 131 TYR N N 15 125.05 0.5 . 1 . . . . 131 TYR N . 6645 1 1380 . 1 1 132 132 PRO HA H 1 4.40 0.01 . 1 . . . . 132 PRO HA . 6645 1 1381 . 1 1 132 132 PRO HB2 H 1 2.18 0.01 . 2 . . . . 132 PRO HB2 . 6645 1 1382 . 1 1 132 132 PRO HB3 H 1 2.21 0.01 . 2 . . . . 132 PRO HB3 . 6645 1 1383 . 1 1 132 132 PRO HG2 H 1 2.02 0.01 . 1 . . . . 132 PRO HG2 . 6645 1 1384 . 1 1 132 132 PRO HG3 H 1 2.02 0.01 . 1 . . . . 132 PRO HG3 . 6645 1 1385 . 1 1 132 132 PRO HD2 H 1 3.67 0.01 . 2 . . . . 132 PRO HD2 . 6645 1 1386 . 1 1 132 132 PRO HD3 H 1 3.71 0.01 . 2 . . . . 132 PRO HD3 . 6645 1 1387 . 1 1 132 132 PRO C C 13 174.27 0.3 . 1 . . . . 132 PRO C . 6645 1 1388 . 1 1 132 132 PRO CA C 13 63.10 0.3 . 1 . . . . 132 PRO CA . 6645 1 1389 . 1 1 132 132 PRO CB C 13 31.89 0.3 . 1 . . . . 132 PRO CB . 6645 1 1390 . 1 1 132 132 PRO CG C 13 26.67 0.3 . 1 . . . . 132 PRO CG . 6645 1 1391 . 1 1 132 132 PRO CD C 13 50.41 0.3 . 1 . . . . 132 PRO CD . 6645 1 1392 . 1 1 133 133 GLU H H 1 8.09 0.01 . 1 . . . . 133 GLU H . 6645 1 1393 . 1 1 133 133 GLU HA H 1 3.94 0.01 . 1 . . . . 133 GLU HA . 6645 1 1394 . 1 1 133 133 GLU HB2 H 1 1.99 0.01 . 2 . . . . 133 GLU HB2 . 6645 1 1395 . 1 1 133 133 GLU HB3 H 1 1.86 0.01 . 2 . . . . 133 GLU HB3 . 6645 1 1396 . 1 1 133 133 GLU HG2 H 1 2.12 0.01 . 2 . . . . 133 GLU HG2 . 6645 1 1397 . 1 1 133 133 GLU HG3 H 1 2.15 0.01 . 2 . . . . 133 GLU HG3 . 6645 1 1398 . 1 1 133 133 GLU C C 13 175.79 0.3 . 1 . . . . 133 GLU C . 6645 1 1399 . 1 1 133 133 GLU CA C 13 56.84 0.3 . 1 . . . . 133 GLU CA . 6645 1 1400 . 1 1 133 133 GLU CB C 13 29.94 0.3 . 1 . . . . 133 GLU CB . 6645 1 1401 . 1 1 133 133 GLU CG C 13 36.38 0.3 . 1 . . . . 133 GLU CG . 6645 1 1402 . 1 1 133 133 GLU N N 15 118.76 0.5 . 1 . . . . 133 GLU N . 6645 1 1403 . 1 1 134 134 TRP H H 1 7.36 0.01 . 1 . . . . 134 TRP H . 6645 1 1404 . 1 1 134 134 TRP HA H 1 5.20 0.01 . 1 . . . . 134 TRP HA . 6645 1 1405 . 1 1 134 134 TRP HB2 H 1 2.89 0.01 . 2 . . . . 134 TRP HB2 . 6645 1 1406 . 1 1 134 134 TRP HB3 H 1 3.06 0.01 . 2 . . . . 134 TRP HB3 . 6645 1 1407 . 1 1 134 134 TRP C C 13 174.45 0.3 . 1 . . . . 134 TRP C . 6645 1 1408 . 1 1 134 134 TRP CA C 13 55.64 0.3 . 1 . . . . 134 TRP CA . 6645 1 1409 . 1 1 134 134 TRP CB C 13 30.54 0.3 . 1 . . . . 134 TRP CB . 6645 1 1410 . 1 1 134 134 TRP N N 15 121.76 0.5 . 1 . . . . 134 TRP N . 6645 1 1411 . 1 1 135 135 ASP H H 1 9.18 0.01 . 1 . . . . 135 ASP H . 6645 1 1412 . 1 1 135 135 ASP HA H 1 4.54 0.01 . 1 . . . . 135 ASP HA . 6645 1 1413 . 1 1 135 135 ASP HB2 H 1 2.87 0.01 . 1 . . . . 135 ASP HB2 . 6645 1 1414 . 1 1 135 135 ASP HB3 H 1 2.87 0.01 . 1 . . . . 135 ASP HB3 . 6645 1 1415 . 1 1 135 135 ASP C C 13 177.80 0.3 . 1 . . . . 135 ASP C . 6645 1 1416 . 1 1 135 135 ASP CA C 13 53.48 0.3 . 1 . . . . 135 ASP CA . 6645 1 1417 . 1 1 135 135 ASP CB C 13 41.73 0.3 . 1 . . . . 135 ASP CB . 6645 1 1418 . 1 1 135 135 ASP N N 15 122.70 0.5 . 1 . . . . 135 ASP N . 6645 1 1419 . 1 1 136 136 ALA H H 1 9.04 0.01 . 1 . . . . 136 ALA H . 6645 1 1420 . 1 1 136 136 ALA HA H 1 4.58 0.01 . 1 . . . . 136 ALA HA . 6645 1 1421 . 1 1 136 136 ALA HB1 H 1 1.78 0.01 . 1 . . . . 136 ALA HB . 6645 1 1422 . 1 1 136 136 ALA HB2 H 1 1.78 0.01 . 1 . . . . 136 ALA HB . 6645 1 1423 . 1 1 136 136 ALA HB3 H 1 1.78 0.01 . 1 . . . . 136 ALA HB . 6645 1 1424 . 1 1 136 136 ALA C C 13 178.76 0.3 . 1 . . . . 136 ALA C . 6645 1 1425 . 1 1 136 136 ALA CA C 13 55.06 0.3 . 1 . . . . 136 ALA CA . 6645 1 1426 . 1 1 136 136 ALA CB C 13 18.61 0.3 . 1 . . . . 136 ALA CB . 6645 1 1427 . 1 1 136 136 ALA N N 15 130.54 0.5 . 1 . . . . 136 ALA N . 6645 1 1428 . 1 1 137 137 ALA H H 1 8.80 0.01 . 1 . . . . 137 ALA H . 6645 1 1429 . 1 1 137 137 ALA HA H 1 4.63 0.01 . 1 . . . . 137 ALA HA . 6645 1 1430 . 1 1 137 137 ALA HB1 H 1 1.75 0.01 . 1 . . . . 137 ALA HB . 6645 1 1431 . 1 1 137 137 ALA HB2 H 1 1.75 0.01 . 1 . . . . 137 ALA HB . 6645 1 1432 . 1 1 137 137 ALA HB3 H 1 1.75 0.01 . 1 . . . . 137 ALA HB . 6645 1 1433 . 1 1 137 137 ALA C C 13 179.73 0.3 . 1 . . . . 137 ALA C . 6645 1 1434 . 1 1 137 137 ALA CA C 13 53.83 0.3 . 1 . . . . 137 ALA CA . 6645 1 1435 . 1 1 137 137 ALA CB C 13 18.74 0.3 . 1 . . . . 137 ALA CB . 6645 1 1436 . 1 1 137 137 ALA N N 15 117.58 0.5 . 1 . . . . 137 ALA N . 6645 1 1437 . 1 1 138 138 GLU H H 1 8.15 0.01 . 1 . . . . 138 GLU H . 6645 1 1438 . 1 1 138 138 GLU HA H 1 4.56 0.01 . 1 . . . . 138 GLU HA . 6645 1 1439 . 1 1 138 138 GLU HB2 H 1 2.29 0.01 . 1 . . . . 138 GLU HB2 . 6645 1 1440 . 1 1 138 138 GLU HB3 H 1 2.29 0.01 . 1 . . . . 138 GLU HB3 . 6645 1 1441 . 1 1 138 138 GLU HG2 H 1 2.52 0.01 . 1 . . . . 138 GLU HG2 . 6645 1 1442 . 1 1 138 138 GLU HG3 H 1 2.52 0.01 . 1 . . . . 138 GLU HG3 . 6645 1 1443 . 1 1 138 138 GLU C C 13 175.49 0.3 . 1 . . . . 138 GLU C . 6645 1 1444 . 1 1 138 138 GLU CA C 13 55.96 0.3 . 1 . . . . 138 GLU CA . 6645 1 1445 . 1 1 138 138 GLU CB C 13 31.62 0.3 . 1 . . . . 138 GLU CB . 6645 1 1446 . 1 1 138 138 GLU CG C 13 36.27 0.3 . 1 . . . . 138 GLU CG . 6645 1 1447 . 1 1 138 138 GLU N N 15 114.91 0.5 . 1 . . . . 138 GLU N . 6645 1 1448 . 1 1 139 139 TRP H H 1 7.64 0.01 . 1 . . . . 139 TRP H . 6645 1 1449 . 1 1 139 139 TRP HA H 1 5.33 0.01 . 1 . . . . 139 TRP HA . 6645 1 1450 . 1 1 139 139 TRP HB2 H 1 3.89 0.01 . 2 . . . . 139 TRP HB2 . 6645 1 1451 . 1 1 139 139 TRP HB3 H 1 3.59 0.01 . 2 . . . . 139 TRP HB3 . 6645 1 1452 . 1 1 139 139 TRP C C 13 174.67 0.3 . 1 . . . . 139 TRP C . 6645 1 1453 . 1 1 139 139 TRP CA C 13 56.68 0.3 . 1 . . . . 139 TRP CA . 6645 1 1454 . 1 1 139 139 TRP CB C 13 34.17 0.3 . 1 . . . . 139 TRP CB . 6645 1 1455 . 1 1 139 139 TRP N N 15 119.25 0.5 . 1 . . . . 139 TRP N . 6645 1 1456 . 1 1 140 140 GLU H H 1 9.86 0.01 . 1 . . . . 140 GLU H . 6645 1 1457 . 1 1 140 140 GLU HA H 1 5.29 0.01 . 1 . . . . 140 GLU HA . 6645 1 1458 . 1 1 140 140 GLU HB2 H 1 2.17 0.01 . 1 . . . . 140 GLU HB2 . 6645 1 1459 . 1 1 140 140 GLU HB3 H 1 2.17 0.01 . 1 . . . . 140 GLU HB3 . 6645 1 1460 . 1 1 140 140 GLU HG2 H 1 2.41 0.01 . 1 . . . . 140 GLU HG2 . 6645 1 1461 . 1 1 140 140 GLU HG3 H 1 2.41 0.01 . 1 . . . . 140 GLU HG3 . 6645 1 1462 . 1 1 140 140 GLU C C 13 175.09 0.3 . 1 . . . . 140 GLU C . 6645 1 1463 . 1 1 140 140 GLU CA C 13 54.17 0.3 . 1 . . . . 140 GLU CA . 6645 1 1464 . 1 1 140 140 GLU CB C 13 32.65 0.3 . 1 . . . . 140 GLU CB . 6645 1 1465 . 1 1 140 140 GLU CG C 13 35.84 0.3 . 1 . . . . 140 GLU CG . 6645 1 1466 . 1 1 140 140 GLU N N 15 119.98 0.5 . 1 . . . . 140 GLU N . 6645 1 1467 . 1 1 141 141 LEU H H 1 8.85 0.01 . 1 . . . . 141 LEU H . 6645 1 1468 . 1 1 141 141 LEU HA H 1 4.84 0.01 . 1 . . . . 141 LEU HA . 6645 1 1469 . 1 1 141 141 LEU HB2 H 1 1.57 0.01 . 1 . . . . 141 LEU HB2 . 6645 1 1470 . 1 1 141 141 LEU HB3 H 1 1.57 0.01 . 1 . . . . 141 LEU HB3 . 6645 1 1471 . 1 1 141 141 LEU HG H 1 1.56 0.01 . 1 . . . . 141 LEU HG . 6645 1 1472 . 1 1 141 141 LEU HD11 H 1 0.60 0.01 . 2 . . . . 141 LEU HD1 . 6645 1 1473 . 1 1 141 141 LEU HD12 H 1 0.60 0.01 . 2 . . . . 141 LEU HD1 . 6645 1 1474 . 1 1 141 141 LEU HD13 H 1 0.60 0.01 . 2 . . . . 141 LEU HD1 . 6645 1 1475 . 1 1 141 141 LEU HD21 H 1 0.00 0.01 . 2 . . . . 141 LEU HD2 . 6645 1 1476 . 1 1 141 141 LEU HD22 H 1 0.00 0.01 . 2 . . . . 141 LEU HD2 . 6645 1 1477 . 1 1 141 141 LEU HD23 H 1 0.00 0.01 . 2 . . . . 141 LEU HD2 . 6645 1 1478 . 1 1 141 141 LEU C C 13 175.52 0.3 . 1 . . . . 141 LEU C . 6645 1 1479 . 1 1 141 141 LEU CA C 13 54.90 0.3 . 1 . . . . 141 LEU CA . 6645 1 1480 . 1 1 141 141 LEU CB C 13 40.05 0.3 . 1 . . . . 141 LEU CB . 6645 1 1481 . 1 1 141 141 LEU CG C 13 25.52 0.3 . 1 . . . . 141 LEU CG . 6645 1 1482 . 1 1 141 141 LEU CD1 C 13 25.52 0.3 . 2 . . . . 141 LEU CD1 . 6645 1 1483 . 1 1 141 141 LEU CD2 C 13 22.02 0.3 . 2 . . . . 141 LEU CD2 . 6645 1 1484 . 1 1 141 141 LEU N N 15 128.16 0.5 . 1 . . . . 141 LEU N . 6645 1 1485 . 1 1 142 142 ASP H H 1 9.34 0.01 . 1 . . . . 142 ASP H . 6645 1 1486 . 1 1 142 142 ASP HA H 1 4.83 0.01 . 1 . . . . 142 ASP HA . 6645 1 1487 . 1 1 142 142 ASP HB2 H 1 2.67 0.01 . 1 . . . . 142 ASP HB2 . 6645 1 1488 . 1 1 142 142 ASP HB3 H 1 2.67 0.01 . 1 . . . . 142 ASP HB3 . 6645 1 1489 . 1 1 142 142 ASP C C 13 176.05 0.3 . 1 . . . . 142 ASP C . 6645 1 1490 . 1 1 142 142 ASP CA C 13 55.61 0.3 . 1 . . . . 142 ASP CA . 6645 1 1491 . 1 1 142 142 ASP CB C 13 44.52 0.3 . 1 . . . . 142 ASP CB . 6645 1 1492 . 1 1 142 142 ASP N N 15 131.87 0.5 . 1 . . . . 142 ASP N . 6645 1 1493 . 1 1 143 143 ALA H H 1 7.73 0.01 . 1 . . . . 143 ALA H . 6645 1 1494 . 1 1 143 143 ALA HA H 1 4.72 0.01 . 1 . . . . 143 ALA HA . 6645 1 1495 . 1 1 143 143 ALA HB1 H 1 1.49 0.01 . 1 . . . . 143 ALA HB . 6645 1 1496 . 1 1 143 143 ALA HB2 H 1 1.49 0.01 . 1 . . . . 143 ALA HB . 6645 1 1497 . 1 1 143 143 ALA HB3 H 1 1.49 0.01 . 1 . . . . 143 ALA HB . 6645 1 1498 . 1 1 143 143 ALA C C 13 174.98 0.3 . 1 . . . . 143 ALA C . 6645 1 1499 . 1 1 143 143 ALA CA C 13 51.89 0.3 . 1 . . . . 143 ALA CA . 6645 1 1500 . 1 1 143 143 ALA CB C 13 22.21 0.3 . 1 . . . . 143 ALA CB . 6645 1 1501 . 1 1 143 143 ALA N N 15 117.07 0.5 . 1 . . . . 143 ALA N . 6645 1 1502 . 1 1 144 144 GLU H H 1 8.48 0.01 . 1 . . . . 144 GLU H . 6645 1 1503 . 1 1 144 144 GLU HA H 1 5.65 0.01 . 1 . . . . 144 GLU HA . 6645 1 1504 . 1 1 144 144 GLU HB2 H 1 1.97 0.01 . 2 . . . . 144 GLU HB2 . 6645 1 1505 . 1 1 144 144 GLU HB3 H 1 2.08 0.01 . 2 . . . . 144 GLU HB3 . 6645 1 1506 . 1 1 144 144 GLU HG2 H 1 2.18 0.01 . 2 . . . . 144 GLU HG2 . 6645 1 1507 . 1 1 144 144 GLU HG3 H 1 2.14 0.01 . 2 . . . . 144 GLU HG3 . 6645 1 1508 . 1 1 144 144 GLU C C 13 175.29 0.3 . 1 . . . . 144 GLU C . 6645 1 1509 . 1 1 144 144 GLU CA C 13 55.48 0.3 . 1 . . . . 144 GLU CA . 6645 1 1510 . 1 1 144 144 GLU CB C 13 33.59 0.3 . 1 . . . . 144 GLU CB . 6645 1 1511 . 1 1 144 144 GLU CG C 13 37.87 0.3 . 1 . . . . 144 GLU CG . 6645 1 1512 . 1 1 144 144 GLU N N 15 120.93 0.5 . 1 . . . . 144 GLU N . 6645 1 1513 . 1 1 145 145 THR H H 1 9.06 0.01 . 1 . . . . 145 THR H . 6645 1 1514 . 1 1 145 145 THR HA H 1 5.53 0.01 . 1 . . . . 145 THR HA . 6645 1 1515 . 1 1 145 145 THR HB H 1 4.11 0.01 . 1 . . . . 145 THR HB . 6645 1 1516 . 1 1 145 145 THR HG21 H 1 1.15 0.01 . 1 . . . . 145 THR HG2 . 6645 1 1517 . 1 1 145 145 THR HG22 H 1 1.15 0.01 . 1 . . . . 145 THR HG2 . 6645 1 1518 . 1 1 145 145 THR HG23 H 1 1.15 0.01 . 1 . . . . 145 THR HG2 . 6645 1 1519 . 1 1 145 145 THR C C 13 173.22 0.3 . 1 . . . . 145 THR C . 6645 1 1520 . 1 1 145 145 THR CA C 13 60.91 0.3 . 1 . . . . 145 THR CA . 6645 1 1521 . 1 1 145 145 THR CB C 13 71.33 0.3 . 1 . . . . 145 THR CB . 6645 1 1522 . 1 1 145 145 THR CG2 C 13 21.50 0.3 . 1 . . . . 145 THR CG2 . 6645 1 1523 . 1 1 145 145 THR N N 15 119.82 0.5 . 1 . . . . 145 THR N . 6645 1 1524 . 1 1 146 146 ASP H H 1 9.00 0.01 . 1 . . . . 146 ASP H . 6645 1 1525 . 1 1 146 146 ASP HA H 1 4.85 0.01 . 1 . . . . 146 ASP HA . 6645 1 1526 . 1 1 146 146 ASP HB2 H 1 2.72 0.01 . 2 . . . . 146 ASP HB2 . 6645 1 1527 . 1 1 146 146 ASP HB3 H 1 2.74 0.01 . 2 . . . . 146 ASP HB3 . 6645 1 1528 . 1 1 146 146 ASP C C 13 174.70 0.3 . 1 . . . . 146 ASP C . 6645 1 1529 . 1 1 146 146 ASP CA C 13 55.29 0.3 . 1 . . . . 146 ASP CA . 6645 1 1530 . 1 1 146 146 ASP CB C 13 41.06 0.3 . 1 . . . . 146 ASP CB . 6645 1 1531 . 1 1 146 146 ASP N N 15 127.83 0.5 . 1 . . . . 146 ASP N . 6645 1 1532 . 1 1 147 147 HIS H H 1 8.16 0.01 . 1 . . . . 147 HIS H . 6645 1 1533 . 1 1 147 147 HIS HA H 1 4.92 0.01 . 1 . . . . 147 HIS HA . 6645 1 1534 . 1 1 147 147 HIS HB2 H 1 2.88 0.01 . 2 . . . . 147 HIS HB2 . 6645 1 1535 . 1 1 147 147 HIS HB3 H 1 3.00 0.01 . 2 . . . . 147 HIS HB3 . 6645 1 1536 . 1 1 147 147 HIS C C 13 174.64 0.3 . 1 . . . . 147 HIS C . 6645 1 1537 . 1 1 147 147 HIS CA C 13 54.66 0.3 . 1 . . . . 147 HIS CA . 6645 1 1538 . 1 1 147 147 HIS CB C 13 32.73 0.3 . 1 . . . . 147 HIS CB . 6645 1 1539 . 1 1 147 147 HIS N N 15 123.16 0.5 . 1 . . . . 147 HIS N . 6645 1 1540 . 1 1 148 148 GLU H H 1 8.81 0.01 . 1 . . . . 148 GLU H . 6645 1 1541 . 1 1 148 148 GLU HA H 1 4.30 0.01 . 1 . . . . 148 GLU HA . 6645 1 1542 . 1 1 148 148 GLU HB2 H 1 2.25 0.01 . 1 . . . . 148 GLU HB2 . 6645 1 1543 . 1 1 148 148 GLU HB3 H 1 2.25 0.01 . 1 . . . . 148 GLU HB3 . 6645 1 1544 . 1 1 148 148 GLU HG2 H 1 2.54 0.01 . 1 . . . . 148 GLU HG2 . 6645 1 1545 . 1 1 148 148 GLU HG3 H 1 2.54 0.01 . 1 . . . . 148 GLU HG3 . 6645 1 1546 . 1 1 148 148 GLU C C 13 176.34 0.3 . 1 . . . . 148 GLU C . 6645 1 1547 . 1 1 148 148 GLU CA C 13 57.59 0.3 . 1 . . . . 148 GLU CA . 6645 1 1548 . 1 1 148 148 GLU CB C 13 30.48 0.3 . 1 . . . . 148 GLU CB . 6645 1 1549 . 1 1 148 148 GLU CG C 13 36.00 0.3 . 1 . . . . 148 GLU CG . 6645 1 1550 . 1 1 148 148 GLU N N 15 122.00 0.5 . 1 . . . . 148 GLU N . 6645 1 1551 . 1 1 149 149 GLY H H 1 8.78 0.01 . 1 . . . . 149 GLY H . 6645 1 1552 . 1 1 149 149 GLY HA2 H 1 4.04 0.01 . 2 . . . . 149 GLY HA2 . 6645 1 1553 . 1 1 149 149 GLY HA3 H 1 4.55 0.01 . 2 . . . . 149 GLY HA3 . 6645 1 1554 . 1 1 149 149 GLY C C 13 173.14 0.3 . 1 . . . . 149 GLY C . 6645 1 1555 . 1 1 149 149 GLY CA C 13 45.23 0.3 . 1 . . . . 149 GLY CA . 6645 1 1556 . 1 1 149 149 GLY N N 15 114.71 0.5 . 1 . . . . 149 GLY N . 6645 1 1557 . 1 1 150 150 PHE H H 1 7.35 0.01 . 1 . . . . 150 PHE H . 6645 1 1558 . 1 1 150 150 PHE HA H 1 5.20 0.01 . 1 . . . . 150 PHE HA . 6645 1 1559 . 1 1 150 150 PHE HB2 H 1 3.55 0.01 . 2 . . . . 150 PHE HB2 . 6645 1 1560 . 1 1 150 150 PHE HB3 H 1 2.57 0.01 . 2 . . . . 150 PHE HB3 . 6645 1 1561 . 1 1 150 150 PHE C C 13 172.65 0.3 . 1 . . . . 150 PHE C . 6645 1 1562 . 1 1 150 150 PHE CA C 13 56.52 0.3 . 1 . . . . 150 PHE CA . 6645 1 1563 . 1 1 150 150 PHE CB C 13 38.65 0.3 . 1 . . . . 150 PHE CB . 6645 1 1564 . 1 1 150 150 PHE N N 15 111.28 0.5 . 1 . . . . 150 PHE N . 6645 1 1565 . 1 1 151 151 THR H H 1 8.55 0.01 . 1 . . . . 151 THR H . 6645 1 1566 . 1 1 151 151 THR HA H 1 4.67 0.01 . 1 . . . . 151 THR HA . 6645 1 1567 . 1 1 151 151 THR HB H 1 4.36 0.01 . 1 . . . . 151 THR HB . 6645 1 1568 . 1 1 151 151 THR HG21 H 1 1.30 0.01 . 1 . . . . 151 THR HG2 . 6645 1 1569 . 1 1 151 151 THR HG22 H 1 1.30 0.01 . 1 . . . . 151 THR HG2 . 6645 1 1570 . 1 1 151 151 THR HG23 H 1 1.30 0.01 . 1 . . . . 151 THR HG2 . 6645 1 1571 . 1 1 151 151 THR C C 13 173.06 0.3 . 1 . . . . 151 THR C . 6645 1 1572 . 1 1 151 151 THR CA C 13 61.73 0.3 . 1 . . . . 151 THR CA . 6645 1 1573 . 1 1 151 151 THR CB C 13 71.02 0.3 . 1 . . . . 151 THR CB . 6645 1 1574 . 1 1 151 151 THR CG2 C 13 21.70 0.3 . 1 . . . . 151 THR CG2 . 6645 1 1575 . 1 1 151 151 THR N N 15 116.08 0.5 . 1 . . . . 151 THR N . 6645 1 1576 . 1 1 152 152 LEU H H 1 9.51 0.01 . 1 . . . . 152 LEU H . 6645 1 1577 . 1 1 152 152 LEU HA H 1 5.31 0.01 . 1 . . . . 152 LEU HA . 6645 1 1578 . 1 1 152 152 LEU HB2 H 1 2.03 0.01 . 1 . . . . 152 LEU HB2 . 6645 1 1579 . 1 1 152 152 LEU HB3 H 1 2.03 0.01 . 1 . . . . 152 LEU HB3 . 6645 1 1580 . 1 1 152 152 LEU HG H 1 1.49 0.01 . 1 . . . . 152 LEU HG . 6645 1 1581 . 1 1 152 152 LEU HD11 H 1 1.02 0.01 . 1 . . . . 152 LEU HD1 . 6645 1 1582 . 1 1 152 152 LEU HD12 H 1 1.02 0.01 . 1 . . . . 152 LEU HD1 . 6645 1 1583 . 1 1 152 152 LEU HD13 H 1 1.02 0.01 . 1 . . . . 152 LEU HD1 . 6645 1 1584 . 1 1 152 152 LEU C C 13 175.97 0.3 . 1 . . . . 152 LEU C . 6645 1 1585 . 1 1 152 152 LEU CA C 13 54.07 0.3 . 1 . . . . 152 LEU CA . 6645 1 1586 . 1 1 152 152 LEU CB C 13 42.42 0.3 . 1 . . . . 152 LEU CB . 6645 1 1587 . 1 1 152 152 LEU CG C 13 26.12 0.3 . 1 . . . . 152 LEU CG . 6645 1 1588 . 1 1 152 152 LEU CD1 C 13 25.56 0.3 . 1 . . . . 152 LEU CD1 . 6645 1 1589 . 1 1 152 152 LEU N N 15 130.54 0.5 . 1 . . . . 152 LEU N . 6645 1 1590 . 1 1 153 153 GLN H H 1 10.00 0.01 . 1 . . . . 153 GLN H . 6645 1 1591 . 1 1 153 153 GLN HA H 1 5.19 0.01 . 1 . . . . 153 GLN HA . 6645 1 1592 . 1 1 153 153 GLN HB2 H 1 2.17 0.01 . 2 . . . . 153 GLN HB2 . 6645 1 1593 . 1 1 153 153 GLN HB3 H 1 2.05 0.01 . 2 . . . . 153 GLN HB3 . 6645 1 1594 . 1 1 153 153 GLN HG2 H 1 2.32 0.01 . 1 . . . . 153 GLN HG2 . 6645 1 1595 . 1 1 153 153 GLN HG3 H 1 2.32 0.01 . 1 . . . . 153 GLN HG3 . 6645 1 1596 . 1 1 153 153 GLN C C 13 171.13 0.3 . 1 . . . . 153 GLN C . 6645 1 1597 . 1 1 153 153 GLN CA C 13 54.34 0.3 . 1 . . . . 153 GLN CA . 6645 1 1598 . 1 1 153 153 GLN CB C 13 31.57 0.3 . 1 . . . . 153 GLN CB . 6645 1 1599 . 1 1 153 153 GLN CG C 13 35.57 0.3 . 1 . . . . 153 GLN CG . 6645 1 1600 . 1 1 153 153 GLN N N 15 127.14 0.5 . 1 . . . . 153 GLN N . 6645 1 1601 . 1 1 154 154 GLU H H 1 8.91 0.01 . 1 . . . . 154 GLU H . 6645 1 1602 . 1 1 154 154 GLU HA H 1 5.43 0.01 . 1 . . . . 154 GLU HA . 6645 1 1603 . 1 1 154 154 GLU HB2 H 1 2.14 0.01 . 1 . . . . 154 GLU HB2 . 6645 1 1604 . 1 1 154 154 GLU HB3 H 1 2.14 0.01 . 1 . . . . 154 GLU HB3 . 6645 1 1605 . 1 1 154 154 GLU HG2 H 1 2.33 0.01 . 2 . . . . 154 GLU HG2 . 6645 1 1606 . 1 1 154 154 GLU HG3 H 1 2.22 0.01 . 2 . . . . 154 GLU HG3 . 6645 1 1607 . 1 1 154 154 GLU C C 13 174.89 0.3 . 1 . . . . 154 GLU C . 6645 1 1608 . 1 1 154 154 GLU CA C 13 55.21 0.3 . 1 . . . . 154 GLU CA . 6645 1 1609 . 1 1 154 154 GLU CB C 13 30.48 0.3 . 1 . . . . 154 GLU CB . 6645 1 1610 . 1 1 154 154 GLU CG C 13 36.86 0.3 . 1 . . . . 154 GLU CG . 6645 1 1611 . 1 1 154 154 GLU N N 15 121.72 0.5 . 1 . . . . 154 GLU N . 6645 1 1612 . 1 1 155 155 TRP H H 1 9.85 0.01 . 1 . . . . 155 TRP H . 6645 1 1613 . 1 1 155 155 TRP HA H 1 5.56 0.01 . 1 . . . . 155 TRP HA . 6645 1 1614 . 1 1 155 155 TRP HB2 H 1 2.85 0.01 . 2 . . . . 155 TRP HB2 . 6645 1 1615 . 1 1 155 155 TRP HB3 H 1 3.38 0.01 . 2 . . . . 155 TRP HB3 . 6645 1 1616 . 1 1 155 155 TRP C C 13 177.02 0.3 . 1 . . . . 155 TRP C . 6645 1 1617 . 1 1 155 155 TRP CA C 13 55.89 0.3 . 1 . . . . 155 TRP CA . 6645 1 1618 . 1 1 155 155 TRP CB C 13 32.39 0.3 . 1 . . . . 155 TRP CB . 6645 1 1619 . 1 1 155 155 TRP N N 15 125.99 0.5 . 1 . . . . 155 TRP N . 6645 1 1620 . 1 1 156 156 VAL H H 1 10.09 0.01 . 1 . . . . 156 VAL H . 6645 1 1621 . 1 1 156 156 VAL HA H 1 5.50 0.01 . 1 . . . . 156 VAL HA . 6645 1 1622 . 1 1 156 156 VAL HB H 1 2.44 0.01 . 1 . . . . 156 VAL HB . 6645 1 1623 . 1 1 156 156 VAL HG11 H 1 1.18 0.01 . 2 . . . . 156 VAL HG1 . 6645 1 1624 . 1 1 156 156 VAL HG12 H 1 1.18 0.01 . 2 . . . . 156 VAL HG1 . 6645 1 1625 . 1 1 156 156 VAL HG13 H 1 1.18 0.01 . 2 . . . . 156 VAL HG1 . 6645 1 1626 . 1 1 156 156 VAL HG21 H 1 1.24 0.01 . 2 . . . . 156 VAL HG2 . 6645 1 1627 . 1 1 156 156 VAL HG22 H 1 1.24 0.01 . 2 . . . . 156 VAL HG2 . 6645 1 1628 . 1 1 156 156 VAL HG23 H 1 1.24 0.01 . 2 . . . . 156 VAL HG2 . 6645 1 1629 . 1 1 156 156 VAL C C 13 174.79 0.3 . 1 . . . . 156 VAL C . 6645 1 1630 . 1 1 156 156 VAL CA C 13 60.00 0.3 . 1 . . . . 156 VAL CA . 6645 1 1631 . 1 1 156 156 VAL CB C 13 35.35 0.3 . 1 . . . . 156 VAL CB . 6645 1 1632 . 1 1 156 156 VAL CG1 C 13 19.76 0.3 . 2 . . . . 156 VAL CG1 . 6645 1 1633 . 1 1 156 156 VAL CG2 C 13 21.23 0.3 . 2 . . . . 156 VAL CG2 . 6645 1 1634 . 1 1 156 156 VAL N N 15 118.14 0.5 . 1 . . . . 156 VAL N . 6645 1 1635 . 1 1 157 157 ARG H H 1 8.05 0.01 . 1 . . . . 157 ARG H . 6645 1 1636 . 1 1 157 157 ARG HA H 1 5.47 0.01 . 1 . . . . 157 ARG HA . 6645 1 1637 . 1 1 157 157 ARG HB2 H 1 2.11 0.01 . 2 . . . . 157 ARG HB2 . 6645 1 1638 . 1 1 157 157 ARG HB3 H 1 1.19 0.01 . 2 . . . . 157 ARG HB3 . 6645 1 1639 . 1 1 157 157 ARG HG2 H 1 1.70 0.01 . 2 . . . . 157 ARG HG2 . 6645 1 1640 . 1 1 157 157 ARG HG3 H 1 1.68 0.01 . 2 . . . . 157 ARG HG3 . 6645 1 1641 . 1 1 157 157 ARG HD2 H 1 3.37 0.01 . 2 . . . . 157 ARG HD2 . 6645 1 1642 . 1 1 157 157 ARG HD3 H 1 3.34 0.01 . 2 . . . . 157 ARG HD3 . 6645 1 1643 . 1 1 157 157 ARG C C 13 177.42 0.3 . 1 . . . . 157 ARG C . 6645 1 1644 . 1 1 157 157 ARG CA C 13 56.06 0.3 . 1 . . . . 157 ARG CA . 6645 1 1645 . 1 1 157 157 ARG CB C 13 28.76 0.3 . 1 . . . . 157 ARG CB . 6645 1 1646 . 1 1 157 157 ARG CG C 13 29.22 0.3 . 1 . . . . 157 ARG CG . 6645 1 1647 . 1 1 157 157 ARG CD C 13 42.40 0.3 . 1 . . . . 157 ARG CD . 6645 1 1648 . 1 1 157 157 ARG N N 15 126.73 0.5 . 1 . . . . 157 ARG N . 6645 1 1649 . 1 1 158 158 SER H H 1 8.54 0.01 . 1 . . . . 158 SER H . 6645 1 1650 . 1 1 158 158 SER HA H 1 4.51 0.01 . 1 . . . . 158 SER HA . 6645 1 1651 . 1 1 158 158 SER HB2 H 1 3.90 0.01 . 1 . . . . 158 SER HB2 . 6645 1 1652 . 1 1 158 158 SER HB3 H 1 3.90 0.01 . 1 . . . . 158 SER HB3 . 6645 1 1653 . 1 1 158 158 SER C C 13 174.82 0.3 . 1 . . . . 158 SER C . 6645 1 1654 . 1 1 158 158 SER CA C 13 58.43 0.3 . 1 . . . . 158 SER CA . 6645 1 1655 . 1 1 158 158 SER CB C 13 63.72 0.3 . 1 . . . . 158 SER CB . 6645 1 1656 . 1 1 158 158 SER N N 15 121.23 0.5 . 1 . . . . 158 SER N . 6645 1 1657 . 1 1 159 159 ALA H H 1 8.65 0.01 . 1 . . . . 159 ALA H . 6645 1 1658 . 1 1 159 159 ALA HA H 1 4.59 0.01 . 1 . . . . 159 ALA HA . 6645 1 1659 . 1 1 159 159 ALA HB1 H 1 1.63 0.01 . 1 . . . . 159 ALA HB . 6645 1 1660 . 1 1 159 159 ALA HB2 H 1 1.63 0.01 . 1 . . . . 159 ALA HB . 6645 1 1661 . 1 1 159 159 ALA HB3 H 1 1.63 0.01 . 1 . . . . 159 ALA HB . 6645 1 1662 . 1 1 159 159 ALA C C 13 178.06 0.3 . 1 . . . . 159 ALA C . 6645 1 1663 . 1 1 159 159 ALA CA C 13 52.81 0.3 . 1 . . . . 159 ALA CA . 6645 1 1664 . 1 1 159 159 ALA CB C 13 19.31 0.3 . 1 . . . . 159 ALA CB . 6645 1 1665 . 1 1 159 159 ALA N N 15 126.48 0.5 . 1 . . . . 159 ALA N . 6645 1 1666 . 1 1 160 160 SER H H 1 8.40 0.01 . 1 . . . . 160 SER H . 6645 1 1667 . 1 1 160 160 SER HA H 1 4.71 0.01 . 1 . . . . 160 SER HA . 6645 1 1668 . 1 1 160 160 SER HB2 H 1 4.14 0.01 . 1 . . . . 160 SER HB2 . 6645 1 1669 . 1 1 160 160 SER HB3 H 1 4.14 0.01 . 1 . . . . 160 SER HB3 . 6645 1 1670 . 1 1 160 160 SER C C 13 175.19 0.3 . 1 . . . . 160 SER C . 6645 1 1671 . 1 1 160 160 SER CA C 13 58.49 0.3 . 1 . . . . 160 SER CA . 6645 1 1672 . 1 1 160 160 SER CB C 13 63.81 0.3 . 1 . . . . 160 SER CB . 6645 1 1673 . 1 1 160 160 SER N N 15 114.62 0.5 . 1 . . . . 160 SER N . 6645 1 1674 . 1 1 161 161 SER H H 1 8.41 0.01 . 1 . . . . 161 SER H . 6645 1 1675 . 1 1 161 161 SER HA H 1 4.57 0.01 . 1 . . . . 161 SER HA . 6645 1 1676 . 1 1 161 161 SER HB2 H 1 4.09 0.01 . 1 . . . . 161 SER HB2 . 6645 1 1677 . 1 1 161 161 SER HB3 H 1 4.09 0.01 . 1 . . . . 161 SER HB3 . 6645 1 1678 . 1 1 161 161 SER C C 13 173.97 0.3 . 1 . . . . 161 SER C . 6645 1 1679 . 1 1 161 161 SER CA C 13 57.23 0.3 . 1 . . . . 161 SER CA . 6645 1 1680 . 1 1 161 161 SER CB C 13 63.87 0.3 . 1 . . . . 161 SER CB . 6645 1 1681 . 1 1 161 161 SER N N 15 118.19 0.5 . 1 . . . . 161 SER N . 6645 1 1682 . 1 1 162 162 ARG H H 1 8.11 0.01 . 1 . . . . 162 ARG H . 6645 1 1683 . 1 1 162 162 ARG HA H 1 4.39 0.01 . 1 . . . . 162 ARG HA . 6645 1 1684 . 1 1 162 162 ARG HB2 H 1 1.97 0.01 . 2 . . . . 162 ARG HB2 . 6645 1 1685 . 1 1 162 162 ARG HB3 H 1 2.08 0.01 . 2 . . . . 162 ARG HB3 . 6645 1 1686 . 1 1 162 162 ARG HG2 H 1 1.80 0.01 . 1 . . . . 162 ARG HG2 . 6645 1 1687 . 1 1 162 162 ARG HG3 H 1 1.80 0.01 . 1 . . . . 162 ARG HG3 . 6645 1 1688 . 1 1 162 162 ARG HD2 H 1 3.43 0.01 . 1 . . . . 162 ARG HD2 . 6645 1 1689 . 1 1 162 162 ARG HD3 H 1 3.43 0.01 . 1 . . . . 162 ARG HD3 . 6645 1 1690 . 1 1 162 162 ARG CA C 13 57.74 0.3 . 1 . . . . 162 ARG CA . 6645 1 1691 . 1 1 162 162 ARG CB C 13 31.01 0.3 . 1 . . . . 162 ARG CB . 6645 1 1692 . 1 1 162 162 ARG CG C 13 27.24 0.3 . 1 . . . . 162 ARG CG . 6645 1 1693 . 1 1 162 162 ARG CD C 13 43.75 0.3 . 1 . . . . 162 ARG CD . 6645 1 1694 . 1 1 162 162 ARG N N 15 128.14 0.5 . 1 . . . . 162 ARG N . 6645 1 stop_ save_