data_6944 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6944 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Structural investigation of the N-terminal region of the human eIF5' 'Structure analysis' 'The data from the chemical shift entry were used to determine the structure of the N-terminal domain of eIF5' 6944 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6944 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID 1 4385 'Assigned chemical shift entry' 'Backbone and side chain assignment' 6944 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6944 _Entry.Title ; Resonance assignment for the N-terminal region of eukaryotic initiation factor 5 (eIF5) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-20 _Entry.Accession_date 2006-01-20 _Entry.Last_release_date . _Entry.Original_release_date . _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 Maria Conte . R. . 6944 2 Geoff Kelly . . . 6944 3 Jeff Babon . . . 6944 4 Christopher Proud . G. . 6944 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'University of Dundee' . 6944 . . 'University of British Columbia' . 6944 . . NIMR . 6944 . . WEHI . 6944 . . 'King's College London' . 6944 . . 'University of Portsmouth' . 6944 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6944 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 567 6944 '15N chemical shifts' 148 6944 '1H chemical shifts' 806 6944 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 2 . . 2007-02-08 2006-01-20 update BMRB 'complete entry citation, etc.' 6944 1 . . 2006-08-11 2006-01-20 original author 'original release' 6944 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6944 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16738784 _Citation.Full_citation . _Citation.Title ; Resonance assignment for the N-terminal region of the eukaryotic initiation factor 5 (eIF5) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 42 _Citation.Page_last 42 _Citation.Year 2006 _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 Maria Conte . R. . 6944 1 2 Geoff Kelly . . . 6944 1 3 Jeff Babon . . . 6944 1 4 Christopher Proud . G. . 6944 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6944 _Assembly.ID 1 _Assembly.Name eIF5(1-170) _Assembly.BMRB_code . _Assembly.Number_of_components 0 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 1 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'free and other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 eIF5(1-170) 1 $1 . . yes native no no . . . 6944 1 2 'Zinc ion' 2 $ZN . . no native no no diamagnetic 'structural zinc' . 6944 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 coordination SING . 1 . 1 CYS 99 99 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6944 1 2 coordination SING . 1 . 1 CYS 102 102 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6944 1 3 coordination SING . 1 . 1 CYS 122 122 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6944 1 4 coordination SING . 1 . 1 CYS 125 125 SG . 2 . 2 ZN 1 1 ZN . . . . . . . . . . 6944 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_1 _Entity.Sf_category entity _Entity.Sf_framecode 1 _Entity.Entry_ID 6944 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Protein _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 ; LSVNVNRSVSDQFYRYKMPR LIAKVEGKGNGIKTVIVNMV DVAKALNRPPTYPTKYFGCE LGAQTQFDVKNDRYIVNGSH EANKLQDMLDGFIKKFVLCP ECENPETDLHVNPKKQTIGN SCKACGYRGMLDTHHKLCTF ILKNPPENSDSGTGKKEKEK KNRKGKDKEN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . LEU . 6944 1 2 . SER . 6944 1 3 . VAL . 6944 1 4 . ASN . 6944 1 5 . VAL . 6944 1 6 . ASN . 6944 1 7 . ARG . 6944 1 8 . SER . 6944 1 9 . VAL . 6944 1 10 . SER . 6944 1 11 . ASP . 6944 1 12 . GLN . 6944 1 13 . PHE . 6944 1 14 . TYR . 6944 1 15 . ARG . 6944 1 16 . TYR . 6944 1 17 . LYS . 6944 1 18 . MET . 6944 1 19 . PRO . 6944 1 20 . ARG . 6944 1 21 . LEU . 6944 1 22 . ILE . 6944 1 23 . ALA . 6944 1 24 . LYS . 6944 1 25 . VAL . 6944 1 26 . GLU . 6944 1 27 . GLY . 6944 1 28 . LYS . 6944 1 29 . GLY . 6944 1 30 . ASN . 6944 1 31 . GLY . 6944 1 32 . ILE . 6944 1 33 . LYS . 6944 1 34 . THR . 6944 1 35 . VAL . 6944 1 36 . ILE . 6944 1 37 . VAL . 6944 1 38 . ASN . 6944 1 39 . MET . 6944 1 40 . VAL . 6944 1 41 . ASP . 6944 1 42 . VAL . 6944 1 43 . ALA . 6944 1 44 . LYS . 6944 1 45 . ALA . 6944 1 46 . LEU . 6944 1 47 . ASN . 6944 1 48 . ARG . 6944 1 49 . PRO . 6944 1 50 . PRO . 6944 1 51 . THR . 6944 1 52 . TYR . 6944 1 53 . PRO . 6944 1 54 . THR . 6944 1 55 . LYS . 6944 1 56 . TYR . 6944 1 57 . PHE . 6944 1 58 . GLY . 6944 1 59 . CYS . 6944 1 60 . GLU . 6944 1 61 . LEU . 6944 1 62 . GLY . 6944 1 63 . ALA . 6944 1 64 . GLN . 6944 1 65 . THR . 6944 1 66 . GLN . 6944 1 67 . PHE . 6944 1 68 . ASP . 6944 1 69 . VAL . 6944 1 70 . LYS . 6944 1 71 . ASN . 6944 1 72 . ASP . 6944 1 73 . ARG . 6944 1 74 . TYR . 6944 1 75 . ILE . 6944 1 76 . VAL . 6944 1 77 . ASN . 6944 1 78 . GLY . 6944 1 79 . SER . 6944 1 80 . HIS . 6944 1 81 . GLU . 6944 1 82 . ALA . 6944 1 83 . ASN . 6944 1 84 . LYS . 6944 1 85 . LEU . 6944 1 86 . GLN . 6944 1 87 . ASP . 6944 1 88 . MET . 6944 1 89 . LEU . 6944 1 90 . ASP . 6944 1 91 . GLY . 6944 1 92 . PHE . 6944 1 93 . ILE . 6944 1 94 . LYS . 6944 1 95 . LYS . 6944 1 96 . PHE . 6944 1 97 . VAL . 6944 1 98 . LEU . 6944 1 99 . CYS . 6944 1 100 . PRO . 6944 1 101 . GLU . 6944 1 102 . CYS . 6944 1 103 . GLU . 6944 1 104 . ASN . 6944 1 105 . PRO . 6944 1 106 . GLU . 6944 1 107 . THR . 6944 1 108 . ASP . 6944 1 109 . LEU . 6944 1 110 . HIS . 6944 1 111 . VAL . 6944 1 112 . ASN . 6944 1 113 . PRO . 6944 1 114 . LYS . 6944 1 115 . LYS . 6944 1 116 . GLN . 6944 1 117 . THR . 6944 1 118 . ILE . 6944 1 119 . GLY . 6944 1 120 . ASN . 6944 1 121 . SER . 6944 1 122 . CYS . 6944 1 123 . LYS . 6944 1 124 . ALA . 6944 1 125 . CYS . 6944 1 126 . GLY . 6944 1 127 . TYR . 6944 1 128 . ARG . 6944 1 129 . GLY . 6944 1 130 . MET . 6944 1 131 . LEU . 6944 1 132 . ASP . 6944 1 133 . THR . 6944 1 134 . HIS . 6944 1 135 . HIS . 6944 1 136 . LYS . 6944 1 137 . LEU . 6944 1 138 . CYS . 6944 1 139 . THR . 6944 1 140 . PHE . 6944 1 141 . ILE . 6944 1 142 . LEU . 6944 1 143 . LYS . 6944 1 144 . ASN . 6944 1 145 . PRO . 6944 1 146 . PRO . 6944 1 147 . GLU . 6944 1 148 . ASN . 6944 1 149 . SER . 6944 1 150 . ASP . 6944 1 151 . SER . 6944 1 152 . GLY . 6944 1 153 . THR . 6944 1 154 . GLY . 6944 1 155 . LYS . 6944 1 156 . LYS . 6944 1 157 . GLU . 6944 1 158 . LYS . 6944 1 159 . GLU . 6944 1 160 . LYS . 6944 1 161 . LYS . 6944 1 162 . ASN . 6944 1 163 . ARG . 6944 1 164 . LYS . 6944 1 165 . GLY . 6944 1 166 . LYS . 6944 1 167 . ASP . 6944 1 168 . LYS . 6944 1 169 . GLU . 6944 1 170 . ASN . 6944 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 . LEU 1 1 6944 1 . SER 2 2 6944 1 . VAL 3 3 6944 1 . ASN 4 4 6944 1 . VAL 5 5 6944 1 . ASN 6 6 6944 1 . ARG 7 7 6944 1 . SER 8 8 6944 1 . VAL 9 9 6944 1 . SER 10 10 6944 1 . ASP 11 11 6944 1 . GLN 12 12 6944 1 . PHE 13 13 6944 1 . TYR 14 14 6944 1 . ARG 15 15 6944 1 . TYR 16 16 6944 1 . LYS 17 17 6944 1 . MET 18 18 6944 1 . PRO 19 19 6944 1 . ARG 20 20 6944 1 . LEU 21 21 6944 1 . ILE 22 22 6944 1 . ALA 23 23 6944 1 . LYS 24 24 6944 1 . VAL 25 25 6944 1 . GLU 26 26 6944 1 . GLY 27 27 6944 1 . LYS 28 28 6944 1 . GLY 29 29 6944 1 . ASN 30 30 6944 1 . GLY 31 31 6944 1 . ILE 32 32 6944 1 . LYS 33 33 6944 1 . THR 34 34 6944 1 . VAL 35 35 6944 1 . ILE 36 36 6944 1 . VAL 37 37 6944 1 . ASN 38 38 6944 1 . MET 39 39 6944 1 . VAL 40 40 6944 1 . ASP 41 41 6944 1 . VAL 42 42 6944 1 . ALA 43 43 6944 1 . LYS 44 44 6944 1 . ALA 45 45 6944 1 . LEU 46 46 6944 1 . ASN 47 47 6944 1 . ARG 48 48 6944 1 . PRO 49 49 6944 1 . PRO 50 50 6944 1 . THR 51 51 6944 1 . TYR 52 52 6944 1 . PRO 53 53 6944 1 . THR 54 54 6944 1 . LYS 55 55 6944 1 . TYR 56 56 6944 1 . PHE 57 57 6944 1 . GLY 58 58 6944 1 . CYS 59 59 6944 1 . GLU 60 60 6944 1 . LEU 61 61 6944 1 . GLY 62 62 6944 1 . ALA 63 63 6944 1 . GLN 64 64 6944 1 . THR 65 65 6944 1 . GLN 66 66 6944 1 . PHE 67 67 6944 1 . ASP 68 68 6944 1 . VAL 69 69 6944 1 . LYS 70 70 6944 1 . ASN 71 71 6944 1 . ASP 72 72 6944 1 . ARG 73 73 6944 1 . TYR 74 74 6944 1 . ILE 75 75 6944 1 . VAL 76 76 6944 1 . ASN 77 77 6944 1 . GLY 78 78 6944 1 . SER 79 79 6944 1 . HIS 80 80 6944 1 . GLU 81 81 6944 1 . ALA 82 82 6944 1 . ASN 83 83 6944 1 . LYS 84 84 6944 1 . LEU 85 85 6944 1 . GLN 86 86 6944 1 . ASP 87 87 6944 1 . MET 88 88 6944 1 . LEU 89 89 6944 1 . ASP 90 90 6944 1 . GLY 91 91 6944 1 . PHE 92 92 6944 1 . ILE 93 93 6944 1 . LYS 94 94 6944 1 . LYS 95 95 6944 1 . PHE 96 96 6944 1 . VAL 97 97 6944 1 . LEU 98 98 6944 1 . CYS 99 99 6944 1 . PRO 100 100 6944 1 . GLU 101 101 6944 1 . CYS 102 102 6944 1 . GLU 103 103 6944 1 . ASN 104 104 6944 1 . PRO 105 105 6944 1 . GLU 106 106 6944 1 . THR 107 107 6944 1 . ASP 108 108 6944 1 . LEU 109 109 6944 1 . HIS 110 110 6944 1 . VAL 111 111 6944 1 . ASN 112 112 6944 1 . PRO 113 113 6944 1 . LYS 114 114 6944 1 . LYS 115 115 6944 1 . GLN 116 116 6944 1 . THR 117 117 6944 1 . ILE 118 118 6944 1 . GLY 119 119 6944 1 . ASN 120 120 6944 1 . SER 121 121 6944 1 . CYS 122 122 6944 1 . LYS 123 123 6944 1 . ALA 124 124 6944 1 . CYS 125 125 6944 1 . GLY 126 126 6944 1 . TYR 127 127 6944 1 . ARG 128 128 6944 1 . GLY 129 129 6944 1 . MET 130 130 6944 1 . LEU 131 131 6944 1 . ASP 132 132 6944 1 . THR 133 133 6944 1 . HIS 134 134 6944 1 . HIS 135 135 6944 1 . LYS 136 136 6944 1 . LEU 137 137 6944 1 . CYS 138 138 6944 1 . THR 139 139 6944 1 . PHE 140 140 6944 1 . ILE 141 141 6944 1 . LEU 142 142 6944 1 . LYS 143 143 6944 1 . ASN 144 144 6944 1 . PRO 145 145 6944 1 . PRO 146 146 6944 1 . GLU 147 147 6944 1 . ASN 148 148 6944 1 . SER 149 149 6944 1 . ASP 150 150 6944 1 . SER 151 151 6944 1 . GLY 152 152 6944 1 . THR 153 153 6944 1 . GLY 154 154 6944 1 . LYS 155 155 6944 1 . LYS 156 156 6944 1 . GLU 157 157 6944 1 . LYS 158 158 6944 1 . GLU 159 159 6944 1 . LYS 160 160 6944 1 . LYS 161 161 6944 1 . ASN 162 162 6944 1 . ARG 163 163 6944 1 . LYS 164 164 6944 1 . GLY 165 165 6944 1 . LYS 166 166 6944 1 . ASP 167 167 6944 1 . LYS 168 168 6944 1 . GLU 169 169 6944 1 . ASN 170 170 6944 1 stop_ save_ save_ZN _Entity.Sf_category entity _Entity.Sf_framecode ZN _Entity.Entry_ID 6944 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name ZN _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID ZN _Entity.Nonpolymer_comp_label $chem_comp_ZN _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ZN . 6944 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6944 _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 $1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6944 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 6944 _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 $1 . 'recombinant technology' . 'E. coli' BL21(DE3)pLysS . . . . . . . . . . . . . . . . . . . . . . . . . . 6944 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_ZN _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_ZN _Chem_comp.Entry_ID 6944 _Chem_comp.ID ZN _Chem_comp.Provenance . _Chem_comp.Name 'ZINC ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code ZN _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2008-12-05 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code ZN _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Zn _Chem_comp.Formula_weight 65.409 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Thu Jun 2 09:48:05 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID InChI=1/Zn/q+2 InChI InChI 1.02b 6944 ZN PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 6944 ZN [Zn++] SMILES CACTVS 3.341 6944 ZN [Zn++] SMILES_CANONICAL CACTVS 3.341 6944 ZN [Zn+2] SMILES ACDLabs 10.04 6944 ZN [Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 6944 ZN [Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 6944 ZN stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID zinc 'SYSTEMATIC NAME' ACDLabs 10.04 6944 ZN 'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 6944 ZN stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 6944 ZN stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6944 _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 eIF5(1-170) '[U-13C; U-15N]' . . 1 $1 . . 0.5 . . mM . . . . 6944 1 2 'sodium phosphate' . . . . . . . 20 . . mM . . . . 6944 1 3 DTT . . . . . . . 2 . . mM . . . . 6944 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6944 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20 mM sodium phosphate, 2 mM DTT' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 pH 6944 1 temperature 298 0.05 K 6944 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6944 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 6944 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 6944 _NMR_spectrometer.ID 3 _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 6944 _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 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 2 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 3 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 4 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 5 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 6 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 7 '15N-and 13C edited NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 8 HNHA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 1 9 '15N-and 13C HSQC' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 6944 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 6944 _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 6944 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6944 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6944 1 P 31 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.404808636 . . . 1 $entry_citation . . 1 $entry_citation 6944 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 6944 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 $sample_1 isotropic 6944 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 5 5 VAL CA C 13 66.444 0.000 . . . . . . 5 VAL CA . 6944 1 2 . 1 1 6 6 ASN H H 1 6.035 0.000 . . . . . . 6 ASN H . 6944 1 3 . 1 1 6 6 ASN HA H 1 4.809 0.000 . . . . . . 6 ASN HA . 6944 1 4 . 1 1 6 6 ASN HB2 H 1 2.940 0.002 . . . . . . 6 ASN HB2 . 6944 1 5 . 1 1 6 6 ASN HB3 H 1 2.940 0.000 . . . . . . 6 ASN HB3 . 6944 1 6 . 1 1 6 6 ASN HD21 H 1 7.298 0.000 . . . . . . 6 ASN HD21 . 6944 1 7 . 1 1 6 6 ASN HD22 H 1 7.717 0.000 . . . . . . 6 ASN HD22 . 6944 1 8 . 1 1 6 6 ASN C C 13 175.131 0.000 . . . . . . 6 ASN C . 6944 1 9 . 1 1 6 6 ASN CA C 13 49.755 0.000 . . . . . . 6 ASN CA . 6944 1 10 . 1 1 6 6 ASN CB C 13 38.527 0.000 . . . . . . 6 ASN CB . 6944 1 11 . 1 1 6 6 ASN N N 15 109.054 0.000 . . . . . . 6 ASN N . 6944 1 12 . 1 1 6 6 ASN ND2 N 15 111.500 0.000 . . . . . . 6 ASN ND2 . 6944 1 13 . 1 1 7 7 ARG H H 1 8.855 0.000 . . . . . . 7 ARG H . 6944 1 14 . 1 1 7 7 ARG C C 13 176.878 0.000 . . . . . . 7 ARG C . 6944 1 15 . 1 1 7 7 ARG CA C 13 59.513 0.000 . . . . . . 7 ARG CA . 6944 1 16 . 1 1 7 7 ARG CB C 13 30.255 0.000 . . . . . . 7 ARG CB . 6944 1 17 . 1 1 7 7 ARG N N 15 121.914 0.000 . . . . . . 7 ARG N . 6944 1 18 . 1 1 8 8 SER H H 1 7.803 0.000 . . . . . . 8 SER H . 6944 1 19 . 1 1 8 8 SER HA H 1 4.285 0.002 . . . . . . 8 SER HA . 6944 1 20 . 1 1 8 8 SER HB2 H 1 3.909 0.002 . . . . . . 8 SER HB2 . 6944 1 21 . 1 1 8 8 SER HB3 H 1 3.909 0.000 . . . . . . 8 SER HB3 . 6944 1 22 . 1 1 8 8 SER C C 13 173.972 0.000 . . . . . . 8 SER C . 6944 1 23 . 1 1 8 8 SER CA C 13 60.000 0.000 . . . . . . 8 SER CA . 6944 1 24 . 1 1 8 8 SER CB C 13 63.245 0.000 . . . . . . 8 SER CB . 6944 1 25 . 1 1 8 8 SER N N 15 113.210 0.000 . . . . . . 8 SER N . 6944 1 26 . 1 1 9 9 VAL H H 1 7.373 0.000 . . . . . . 9 VAL H . 6944 1 27 . 1 1 9 9 VAL HA H 1 3.929 0.003 . . . . . . 9 VAL HA . 6944 1 28 . 1 1 9 9 VAL HB H 1 1.695 0.000 . . . . . . 9 VAL HB . 6944 1 29 . 1 1 9 9 VAL HG11 H 1 0.731 0.001 . . . . . . 9 VAL HG11 . 6944 1 30 . 1 1 9 9 VAL HG12 H 1 0.731 0.001 . . . . . . 9 VAL HG12 . 6944 1 31 . 1 1 9 9 VAL HG13 H 1 0.731 0.001 . . . . . . 9 VAL HG13 . 6944 1 32 . 1 1 9 9 VAL HG21 H 1 0.900 0.002 . . . . . . 9 VAL HG21 . 6944 1 33 . 1 1 9 9 VAL HG22 H 1 0.900 0.002 . . . . . . 9 VAL HG22 . 6944 1 34 . 1 1 9 9 VAL HG23 H 1 0.900 0.002 . . . . . . 9 VAL HG23 . 6944 1 35 . 1 1 9 9 VAL C C 13 174.507 0.000 . . . . . . 9 VAL C . 6944 1 36 . 1 1 9 9 VAL CA C 13 62.204 0.000 . . . . . . 9 VAL CA . 6944 1 37 . 1 1 9 9 VAL CB C 13 32.331 0.000 . . . . . . 9 VAL CB . 6944 1 38 . 1 1 9 9 VAL CG1 C 13 20.824 0.000 . . . . . . 9 VAL CG1 . 6944 1 39 . 1 1 9 9 VAL CG2 C 13 21.414 0.000 . . . . . . 9 VAL CG2 . 6944 1 40 . 1 1 9 9 VAL N N 15 122.603 0.000 . . . . . . 9 VAL N . 6944 1 41 . 1 1 10 10 SER H H 1 8.801 0.000 . . . . . . 10 MET H . 6944 1 42 . 1 1 10 10 SER C C 13 174.596 0.000 . . . . . . 10 MET C . 6944 1 43 . 1 1 10 10 SER CA C 13 58.612 0.000 . . . . . . 10 MET CA . 6944 1 44 . 1 1 10 10 SER CB C 13 63.380 0.000 . . . . . . 10 MET CB . 6944 1 45 . 1 1 10 10 SER N N 15 123.625 0.000 . . . . . . 10 MET N . 6944 1 46 . 1 1 11 11 ASP H H 1 7.184 0.000 . . . . . . 11 ASP H . 6944 1 47 . 1 1 11 11 ASP HB2 H 1 2.638 0.007 . . . . . . 11 ASP HB2 . 6944 1 48 . 1 1 11 11 ASP HB3 H 1 2.780 0.003 . . . . . . 11 ASP HB3 . 6944 1 49 . 1 1 11 11 ASP C C 13 177.485 0.000 . . . . . . 11 ASP C . 6944 1 50 . 1 1 11 11 ASP CA C 13 54.714 0.000 . . . . . . 11 ASP CA . 6944 1 51 . 1 1 11 11 ASP CB C 13 42.068 0.000 . . . . . . 11 ASP CB . 6944 1 52 . 1 1 11 11 ASP N N 15 122.368 0.000 . . . . . . 11 ASP N . 6944 1 53 . 1 1 12 12 GLN H H 1 9.179 0.000 . . . . . . 12 GLN H . 6944 1 54 . 1 1 12 12 GLN HA H 1 4.148 0.003 . . . . . . 12 GLN HA . 6944 1 55 . 1 1 12 12 GLN HB2 H 1 1.783 0.002 . . . . . . 12 GLN HB2 . 6944 1 56 . 1 1 12 12 GLN HB3 H 1 1.829 0.004 . . . . . . 12 GLN HB3 . 6944 1 57 . 1 1 12 12 GLN HG2 H 1 1.812 0.003 . . . . . . 12 GLN HG2 . 6944 1 58 . 1 1 12 12 GLN HG3 H 1 2.049 0.002 . . . . . . 12 GLN HG3 . 6944 1 59 . 1 1 12 12 GLN C C 13 177.110 0.000 . . . . . . 12 GLN C . 6944 1 60 . 1 1 12 12 GLN CA C 13 57.639 0.000 . . . . . . 12 GLN CA . 6944 1 61 . 1 1 12 12 GLN CB C 13 28.200 0.000 . . . . . . 12 GLN CB . 6944 1 62 . 1 1 12 12 GLN CG C 13 33.216 0.000 . . . . . . 12 GLN CG . 6944 1 63 . 1 1 12 12 GLN N N 15 127.507 0.000 . . . . . . 12 GLN N . 6944 1 64 . 1 1 13 13 PHE H H 1 8.624 0.000 . . . . . . 13 PHE H . 6944 1 65 . 1 1 13 13 PHE HA H 1 4.622 0.002 . . . . . . 13 PHE HA . 6944 1 66 . 1 1 13 13 PHE HB2 H 1 3.082 0.002 . . . . . . 13 PHE HB2 . 6944 1 67 . 1 1 13 13 PHE HB3 H 1 3.380 0.000 . . . . . . 13 PHE HB3 . 6944 1 68 . 1 1 13 13 PHE C C 13 175.006 0.000 . . . . . . 13 PHE C . 6944 1 69 . 1 1 13 13 PHE CA C 13 57.344 0.000 . . . . . . 13 PHE CA . 6944 1 70 . 1 1 13 13 PHE CB C 13 37.642 0.000 . . . . . . 13 PHE CB . 6944 1 71 . 1 1 13 13 PHE N N 15 119.471 0.000 . . . . . . 13 PHE N . 6944 1 72 . 1 1 14 14 TYR H H 1 7.085 0.000 . . . . . . 14 TYR H . 6944 1 73 . 1 1 14 14 TYR HD1 H 1 7.459 0.002 . . . . . . 14 TYR HD1 . 6944 1 74 . 1 1 14 14 TYR HD2 H 1 7.459 0.000 . . . . . . 14 TYR HD2 . 6944 1 75 . 1 1 14 14 TYR HE1 H 1 7.331 0.003 . . . . . . 14 TYR HE1 . 6944 1 76 . 1 1 14 14 TYR HE2 H 1 7.331 0.000 . . . . . . 14 TYR HE2 . 6944 1 77 . 1 1 14 14 TYR C C 13 177.431 0.000 . . . . . . 14 TYR C . 6944 1 78 . 1 1 14 14 TYR CA C 13 59.223 0.000 . . . . . . 14 TYR CA . 6944 1 79 . 1 1 14 14 TYR CD1 C 13 135.402 0.000 . . . . . . 14 TYR CD1 . 6944 1 80 . 1 1 14 14 TYR CD2 C 13 135.402 0.000 . . . . . . 14 TYR CD2 . 6944 1 81 . 1 1 14 14 TYR CE1 C 13 119.535 0.000 . . . . . . 14 TYR CE1 . 6944 1 82 . 1 1 14 14 TYR CE2 C 13 119.535 0.000 . . . . . . 14 TYR CE2 . 6944 1 83 . 1 1 14 14 TYR N N 15 123.919 0.000 . . . . . . 14 TYR N . 6944 1 84 . 1 1 15 15 ARG H H 1 7.909 0.000 . . . . . . 15 ARG H . 6944 1 85 . 1 1 15 15 ARG HA H 1 3.790 0.000 . . . . . . 15 ARG HA . 6944 1 86 . 1 1 15 15 ARG HB2 H 1 1.110 0.005 . . . . . . 15 ARG HB2 . 6944 1 87 . 1 1 15 15 ARG HB3 H 1 1.228 0.002 . . . . . . 15 ARG HB3 . 6944 1 88 . 1 1 15 15 ARG HG2 H 1 0.991 0.004 . . . . . . 15 ARG HG2 . 6944 1 89 . 1 1 15 15 ARG HG3 H 1 1.079 0.001 . . . . . . 15 ARG HG3 . 6944 1 90 . 1 1 15 15 ARG HD2 H 1 2.937 0.010 . . . . . . 15 ARG HD2 . 6944 1 91 . 1 1 15 15 ARG HD3 H 1 2.937 0.000 . . . . . . 15 ARG HD3 . 6944 1 92 . 1 1 15 15 ARG C C 13 175.416 0.000 . . . . . . 15 ARG C . 6944 1 93 . 1 1 15 15 ARG CA C 13 58.229 0.000 . . . . . . 15 ARG CA . 6944 1 94 . 1 1 15 15 ARG CB C 13 30.561 0.000 . . . . . . 15 ARG CB . 6944 1 95 . 1 1 15 15 ARG CG C 13 26.725 0.000 . . . . . . 15 ARG CG . 6944 1 96 . 1 1 15 15 ARG CD C 13 42.953 0.000 . . . . . . 15 ARG CD . 6944 1 97 . 1 1 15 15 ARG N N 15 123.496 0.000 . . . . . . 15 ARG N . 6944 1 98 . 1 1 16 16 TYR H H 1 5.968 0.000 . . . . . . 16 TYR H . 6944 1 99 . 1 1 16 16 TYR HA H 1 4.683 0.000 . . . . . . 16 TYR HA . 6944 1 100 . 1 1 16 16 TYR HB2 H 1 2.949 0.007 . . . . . . 16 TYR HB2 . 6944 1 101 . 1 1 16 16 TYR HB3 H 1 2.949 0.000 . . . . . . 16 TYR HB3 . 6944 1 102 . 1 1 16 16 TYR HD1 H 1 6.743 0.006 . . . . . . 16 TYR HD1 . 6944 1 103 . 1 1 16 16 TYR HD2 H 1 6.743 0.000 . . . . . . 16 TYR HD2 . 6944 1 104 . 1 1 16 16 TYR HE1 H 1 6.786 0.011 . . . . . . 16 TYR HE1 . 6944 1 105 . 1 1 16 16 TYR HE2 H 1 6.786 0.000 . . . . . . 16 TYR HE2 . 6944 1 106 . 1 1 16 16 TYR C C 13 174.132 0.000 . . . . . . 16 TYR C . 6944 1 107 . 1 1 16 16 TYR CA C 13 57.007 0.000 . . . . . . 16 TYR CA . 6944 1 108 . 1 1 16 16 TYR CB C 13 43.248 0.000 . . . . . . 16 TYR CB . 6944 1 109 . 1 1 16 16 TYR CD1 C 13 134.221 0.000 . . . . . . 16 TYR CD1 . 6944 1 110 . 1 1 16 16 TYR CD2 C 13 134.221 0.000 . . . . . . 16 TYR CD2 . 6944 1 111 . 1 1 16 16 TYR CE1 C 13 118.650 0.000 . . . . . . 16 TYR CE1 . 6944 1 112 . 1 1 16 16 TYR CE2 C 13 118.650 0.000 . . . . . . 16 TYR CE2 . 6944 1 113 . 1 1 16 16 TYR N N 15 117.742 0.000 . . . . . . 16 TYR N . 6944 1 114 . 1 1 17 17 LYS H H 1 8.631 0.000 . . . . . . 17 LYS H . 6944 1 115 . 1 1 17 17 LYS CA C 13 53.185 0.000 . . . . . . 17 LYS CA . 6944 1 116 . 1 1 17 17 LYS N N 15 124.347 0.000 . . . . . . 17 LYS N . 6944 1 117 . 1 1 18 18 MET H H 1 9.525 0.000 . . . . . . 18 MET H . 6944 1 118 . 1 1 18 18 MET N N 15 116.547 0.000 . . . . . . 18 MET N . 6944 1 119 . 1 1 19 19 PRO HA H 1 4.401 0.005 . . . . . . 19 PRO HA . 6944 1 120 . 1 1 19 19 PRO HB2 H 1 2.107 0.001 . . . . . . 19 PRO HB2 . 6944 1 121 . 1 1 19 19 PRO HB3 H 1 2.283 0.007 . . . . . . 19 PRO HB3 . 6944 1 122 . 1 1 19 19 PRO HG2 H 1 2.043 0.012 . . . . . . 19 PRO HG2 . 6944 1 123 . 1 1 19 19 PRO HG3 H 1 2.268 0.012 . . . . . . 19 PRO HG3 . 6944 1 124 . 1 1 19 19 PRO HD2 H 1 3.667 0.009 . . . . . . 19 PRO HD2 . 6944 1 125 . 1 1 19 19 PRO HD3 H 1 4.078 0.001 . . . . . . 19 PRO HD3 . 6944 1 126 . 1 1 19 19 PRO C C 13 176.789 0.000 . . . . . . 19 PRO C . 6944 1 127 . 1 1 19 19 PRO CA C 13 63.541 0.000 . . . . . . 19 PRO CA . 6944 1 128 . 1 1 19 19 PRO CB C 13 31.741 0.000 . . . . . . 19 PRO CB . 6944 1 129 . 1 1 19 19 PRO CG C 13 27.610 0.000 . . . . . . 19 PRO CG . 6944 1 130 . 1 1 19 19 PRO CD C 13 50.267 0.000 . . . . . . 19 PRO CD . 6944 1 131 . 1 1 20 20 ARG H H 1 8.796 0.000 . . . . . . 20 ARG H . 6944 1 132 . 1 1 20 20 ARG C C 13 176.540 0.000 . . . . . . 20 ARG C . 6944 1 133 . 1 1 20 20 ARG CA C 13 56.716 0.000 . . . . . . 20 ARG CA . 6944 1 134 . 1 1 20 20 ARG N N 15 121.438 0.000 . . . . . . 20 ARG N . 6944 1 135 . 1 1 21 21 LEU H H 1 8.994 0.000 . . . . . . 21 LEU H . 6944 1 136 . 1 1 21 21 LEU HA H 1 4.186 0.001 . . . . . . 21 LEU HA . 6944 1 137 . 1 1 21 21 LEU HB2 H 1 1.238 0.008 . . . . . . 21 LEU HB2 . 6944 1 138 . 1 1 21 21 LEU HB3 H 1 1.744 0.003 . . . . . . 21 LEU HB3 . 6944 1 139 . 1 1 21 21 LEU HG H 1 1.895 0.002 . . . . . . 21 LEU HG . 6944 1 140 . 1 1 21 21 LEU HD11 H 1 0.896 0.002 . . . . . . 21 LEU HD11 . 6944 1 141 . 1 1 21 21 LEU HD12 H 1 0.896 0.002 . . . . . . 21 LEU HD12 . 6944 1 142 . 1 1 21 21 LEU HD13 H 1 0.896 0.002 . . . . . . 21 LEU HD13 . 6944 1 143 . 1 1 21 21 LEU HD21 H 1 0.863 0.002 . . . . . . 21 LEU HD21 . 6944 1 144 . 1 1 21 21 LEU HD22 H 1 0.863 0.002 . . . . . . 21 LEU HD22 . 6944 1 145 . 1 1 21 21 LEU HD23 H 1 0.863 0.002 . . . . . . 21 LEU HD23 . 6944 1 146 . 1 1 21 21 LEU C C 13 176.112 0.000 . . . . . . 21 LEU C . 6944 1 147 . 1 1 21 21 LEU CA C 13 56.754 0.000 . . . . . . 21 LEU CA . 6944 1 148 . 1 1 21 21 LEU CB C 13 43.248 0.000 . . . . . . 21 LEU CB . 6944 1 149 . 1 1 21 21 LEU CG C 13 26.430 0.000 . . . . . . 21 LEU CG . 6944 1 150 . 1 1 21 21 LEU CD1 C 13 25.545 0.000 . . . . . . 21 LEU CD1 . 6944 1 151 . 1 1 21 21 LEU CD2 C 13 27.610 0.000 . . . . . . 21 LEU CD2 . 6944 1 152 . 1 1 21 21 LEU N N 15 125.175 0.000 . . . . . . 21 LEU N . 6944 1 153 . 1 1 22 22 ILE H H 1 8.663 0.000 . . . . . . 22 ILE H . 6944 1 154 . 1 1 22 22 ILE HA H 1 4.220 0.004 . . . . . . 22 ILE HA . 6944 1 155 . 1 1 22 22 ILE HB H 1 1.461 0.008 . . . . . . 22 ILE HB . 6944 1 156 . 1 1 22 22 ILE HG21 H 1 0.907 0.001 . . . . . . 22 ILE HG21 . 6944 1 157 . 1 1 22 22 ILE HG22 H 1 0.907 0.001 . . . . . . 22 ILE HG22 . 6944 1 158 . 1 1 22 22 ILE HG23 H 1 0.907 0.001 . . . . . . 22 ILE HG23 . 6944 1 159 . 1 1 22 22 ILE HD11 H 1 0.885 0.000 . . . . . . 22 ILE HD11 . 6944 1 160 . 1 1 22 22 ILE HD12 H 1 0.885 0.000 . . . . . . 22 ILE HD12 . 6944 1 161 . 1 1 22 22 ILE HD13 H 1 0.885 0.000 . . . . . . 22 ILE HD13 . 6944 1 162 . 1 1 22 22 ILE C C 13 173.740 0.000 . . . . . . 22 ILE C . 6944 1 163 . 1 1 22 22 ILE CA C 13 60.590 0.000 . . . . . . 22 ILE CA . 6944 1 164 . 1 1 22 22 ILE CB C 13 40.593 0.000 . . . . . . 22 ILE CB . 6944 1 165 . 1 1 22 22 ILE CG2 C 13 17.283 0.000 . . . . . . 22 ILE CG2 . 6944 1 166 . 1 1 22 22 ILE CD1 C 13 13.447 0.000 . . . . . . 22 ILE CD1 . 6944 1 167 . 1 1 22 22 ILE N N 15 124.748 0.000 . . . . . . 22 ILE N . 6944 1 168 . 1 1 23 23 ALA H H 1 8.456 0.000 . . . . . . 23 ALA H . 6944 1 169 . 1 1 23 23 ALA HA H 1 5.609 0.001 . . . . . . 23 ALA HA . 6944 1 170 . 1 1 23 23 ALA HB1 H 1 1.186 0.002 . . . . . . 23 ALA HB1 . 6944 1 171 . 1 1 23 23 ALA HB2 H 1 1.186 0.002 . . . . . . 23 ALA HB2 . 6944 1 172 . 1 1 23 23 ALA HB3 H 1 1.186 0.002 . . . . . . 23 ALA HB3 . 6944 1 173 . 1 1 23 23 ALA C C 13 175.791 0.000 . . . . . . 23 ALA C . 6944 1 174 . 1 1 23 23 ALA CA C 13 49.968 0.000 . . . . . . 23 ALA CA . 6944 1 175 . 1 1 23 23 ALA CB C 13 22.004 0.000 . . . . . . 23 ALA CB . 6944 1 176 . 1 1 23 23 ALA N N 15 128.310 0.000 . . . . . . 23 ALA N . 6944 1 177 . 1 1 24 24 LYS H H 1 9.137 0.000 . . . . . . 24 LYS H . 6944 1 178 . 1 1 24 24 LYS HA H 1 4.894 0.000 . . . . . . 24 LYS HA . 6944 1 179 . 1 1 24 24 LYS HB2 H 1 1.762 0.000 . . . . . . 24 LYS HB2 . 6944 1 180 . 1 1 24 24 LYS HB3 H 1 1.866 0.002 . . . . . . 24 LYS HB3 . 6944 1 181 . 1 1 24 24 LYS HG2 H 1 1.421 0.007 . . . . . . 24 LYS HG2 . 6944 1 182 . 1 1 24 24 LYS HG3 H 1 1.421 0.000 . . . . . . 24 LYS HG3 . 6944 1 183 . 1 1 24 24 LYS HD2 H 1 1.761 0.001 . . . . . . 24 LYS HD2 . 6944 1 184 . 1 1 24 24 LYS HD3 H 1 1.761 0.000 . . . . . . 24 LYS HD3 . 6944 1 185 . 1 1 24 24 LYS HE2 H 1 3.040 0.000 . . . . . . 24 LYS HE2 . 6944 1 186 . 1 1 24 24 LYS HE3 H 1 3.040 0.000 . . . . . . 24 LYS HE3 . 6944 1 187 . 1 1 24 24 LYS C C 13 174.221 0.000 . . . . . . 24 LYS C . 6944 1 188 . 1 1 24 24 LYS CA C 13 54.902 0.000 . . . . . . 24 LYS CA . 6944 1 189 . 1 1 24 24 LYS CB C 13 36.167 0.000 . . . . . . 24 LYS CB . 6944 1 190 . 1 1 24 24 LYS CG C 13 24.954 0.000 . . . . . . 24 LYS CG . 6944 1 191 . 1 1 24 24 LYS CD C 13 29.380 0.000 . . . . . . 24 LYS CD . 6944 1 192 . 1 1 24 24 LYS N N 15 123.143 0.000 . . . . . . 24 LYS N . 6944 1 193 . 1 1 25 25 VAL H H 1 8.722 0.000 . . . . . . 25 VAL H . 6944 1 194 . 1 1 25 25 VAL HA H 1 5.092 0.010 . . . . . . 25 VAL HA . 6944 1 195 . 1 1 25 25 VAL HB H 1 1.967 0.002 . . . . . . 25 VAL HB . 6944 1 196 . 1 1 25 25 VAL HG11 H 1 1.046 0.004 . . . . . . 25 VAL HG11 . 6944 1 197 . 1 1 25 25 VAL HG12 H 1 1.046 0.004 . . . . . . 25 VAL HG12 . 6944 1 198 . 1 1 25 25 VAL HG13 H 1 1.046 0.004 . . . . . . 25 VAL HG13 . 6944 1 199 . 1 1 25 25 VAL HG21 H 1 0.941 0.002 . . . . . . 25 VAL HG21 . 6944 1 200 . 1 1 25 25 VAL HG22 H 1 0.941 0.002 . . . . . . 25 VAL HG22 . 6944 1 201 . 1 1 25 25 VAL HG23 H 1 0.941 0.002 . . . . . . 25 VAL HG23 . 6944 1 202 . 1 1 25 25 VAL C C 13 176.125 0.000 . . . . . . 25 VAL C . 6944 1 203 . 1 1 25 25 VAL CA C 13 62.065 0.000 . . . . . . 25 VAL CA . 6944 1 204 . 1 1 25 25 VAL CB C 13 32.921 0.000 . . . . . . 25 VAL CB . 6944 1 205 . 1 1 25 25 VAL CG1 C 13 21.414 0.000 . . . . . . 25 VAL CG1 . 6944 1 206 . 1 1 25 25 VAL CG2 C 13 21.709 0.000 . . . . . . 25 VAL CG2 . 6944 1 207 . 1 1 25 25 VAL N N 15 125.325 0.000 . . . . . . 25 VAL N . 6944 1 208 . 1 1 26 26 GLU H H 1 9.396 0.000 . . . . . . 26 GLU H . 6944 1 209 . 1 1 26 26 GLU HA H 1 4.803 0.000 . . . . . . 26 GLU HA . 6944 1 210 . 1 1 26 26 GLU HB2 H 1 1.824 0.007 . . . . . . 26 GLU HB2 . 6944 1 211 . 1 1 26 26 GLU HB3 H 1 2.047 0.005 . . . . . . 26 GLU HB3 . 6944 1 212 . 1 1 26 26 GLU HG2 H 1 2.146 0.004 . . . . . . 26 GLU HG2 . 6944 1 213 . 1 1 26 26 GLU HG3 H 1 2.222 0.008 . . . . . . 26 GLU HG3 . 6944 1 214 . 1 1 26 26 GLU C C 13 176.166 0.000 . . . . . . 26 GLU C . 6944 1 215 . 1 1 26 26 GLU CA C 13 54.712 0.000 . . . . . . 26 GLU CA . 6944 1 216 . 1 1 26 26 GLU CB C 13 34.101 0.000 . . . . . . 26 GLU CB . 6944 1 217 . 1 1 26 26 GLU CG C 13 36.167 0.000 . . . . . . 26 GLU CG . 6944 1 218 . 1 1 26 26 GLU N N 15 126.303 0.000 . . . . . . 26 GLU N . 6944 1 219 . 1 1 27 27 GLY H H 1 8.413 0.000 . . . . . . 27 GLY H . 6944 1 220 . 1 1 27 27 GLY HA2 H 1 3.760 0.007 . . . . . . 27 GLY HA1 . 6944 1 221 . 1 1 27 27 GLY HA3 H 1 4.408 0.008 . . . . . . 27 GLY HA2 . 6944 1 222 . 1 1 27 27 GLY C C 13 172.456 0.000 . . . . . . 27 GLY C . 6944 1 223 . 1 1 27 27 GLY CA C 13 44.133 0.000 . . . . . . 27 GLY CA . 6944 1 224 . 1 1 27 27 GLY N N 15 107.478 0.000 . . . . . . 27 GLY N . 6944 1 225 . 1 1 28 28 LYS H H 1 8.013 0.000 . . . . . . 28 LYS H . 6944 1 226 . 1 1 28 28 LYS HA H 1 4.564 0.000 . . . . . . 28 LYS HA . 6944 1 227 . 1 1 28 28 LYS HB2 H 1 1.702 0.005 . . . . . . 28 LYS HB2 . 6944 1 228 . 1 1 28 28 LYS HB3 H 1 1.809 0.005 . . . . . . 28 LYS HB3 . 6944 1 229 . 1 1 28 28 LYS HG2 H 1 1.359 0.002 . . . . . . 28 LYS HG2 . 6944 1 230 . 1 1 28 28 LYS HG3 H 1 1.359 0.000 . . . . . . 28 LYS HG3 . 6944 1 231 . 1 1 28 28 LYS HD2 H 1 1.684 0.000 . . . . . . 28 LYS HD2 . 6944 1 232 . 1 1 28 28 LYS HD3 H 1 1.684 0.000 . . . . . . 28 LYS HD3 . 6944 1 233 . 1 1 28 28 LYS HE2 H 1 2.984 0.000 . . . . . . 28 LYS HE2 . 6944 1 234 . 1 1 28 28 LYS HE3 H 1 2.984 0.000 . . . . . . 28 LYS HE3 . 6944 1 235 . 1 1 28 28 LYS C C 13 176.343 0.000 . . . . . . 28 LYS C . 6944 1 236 . 1 1 28 28 LYS CA C 13 54.984 0.000 . . . . . . 28 LYS CA . 6944 1 237 . 1 1 28 28 LYS CB C 13 36.167 0.000 . . . . . . 28 LYS CB . 6944 1 238 . 1 1 28 28 LYS CG C 13 24.364 0.000 . . . . . . 28 LYS CG . 6944 1 239 . 1 1 28 28 LYS CD C 13 29.085 0.000 . . . . . . 28 LYS CD . 6944 1 240 . 1 1 28 28 LYS N N 15 115.064 0.000 . . . . . . 28 LYS N . 6944 1 241 . 1 1 29 29 GLY H H 1 8.998 0.000 . . . . . . 29 GLY H . 6944 1 242 . 1 1 29 29 GLY HA2 H 1 3.746 0.001 . . . . . . 29 GLY HA1 . 6944 1 243 . 1 1 29 29 GLY HA3 H 1 3.968 0.002 . . . . . . 29 GLY HA2 . 6944 1 244 . 1 1 29 29 GLY CA C 13 46.789 0.000 . . . . . . 29 GLY CA . 6944 1 245 . 1 1 29 29 GLY N N 15 111.682 0.000 . . . . . . 29 GLY N . 6944 1 246 . 1 1 30 30 ASN HA H 1 4.674 0.002 . . . . . . 30 ASN HA . 6944 1 247 . 1 1 30 30 ASN HB2 H 1 2.915 0.003 . . . . . . 30 ASN HB2 . 6944 1 248 . 1 1 30 30 ASN HB3 H 1 2.915 0.000 . . . . . . 30 ASN HB3 . 6944 1 249 . 1 1 30 30 ASN C C 13 175.808 0.000 . . . . . . 30 ASN C . 6944 1 250 . 1 1 30 30 ASN CA C 13 54.099 0.000 . . . . . . 30 ASN CA . 6944 1 251 . 1 1 30 30 ASN CB C 13 37.642 0.000 . . . . . . 30 ASN CB . 6944 1 252 . 1 1 31 31 GLY H H 1 8.423 0.000 . . . . . . 31 GLY H . 6944 1 253 . 1 1 31 31 GLY HA2 H 1 3.731 0.002 . . . . . . 31 GLY HA1 . 6944 1 254 . 1 1 31 31 GLY HA3 H 1 4.413 0.001 . . . . . . 31 GLY HA2 . 6944 1 255 . 1 1 31 31 GLY C C 13 173.811 0.000 . . . . . . 31 GLY C . 6944 1 256 . 1 1 31 31 GLY CA C 13 45.019 0.000 . . . . . . 31 GLY CA . 6944 1 257 . 1 1 31 31 GLY N N 15 108.493 0.000 . . . . . . 31 GLY N . 6944 1 258 . 1 1 32 32 ILE H H 1 6.992 0.000 . . . . . . 32 ILE H . 6944 1 259 . 1 1 32 32 ILE HA H 1 4.334 0.000 . . . . . . 32 ILE HA . 6944 1 260 . 1 1 32 32 ILE HB H 1 1.448 0.004 . . . . . . 32 ILE HB . 6944 1 261 . 1 1 32 32 ILE HG12 H 1 0.756 0.002 . . . . . . 32 ILE HG12 . 6944 1 262 . 1 1 32 32 ILE HG13 H 1 1.410 0.004 . . . . . . 32 ILE HG13 . 6944 1 263 . 1 1 32 32 ILE HG21 H 1 0.732 0.008 . . . . . . 32 ILE HG21 . 6944 1 264 . 1 1 32 32 ILE HG22 H 1 0.732 0.008 . . . . . . 32 ILE HG22 . 6944 1 265 . 1 1 32 32 ILE HG23 H 1 0.732 0.008 . . . . . . 32 ILE HG23 . 6944 1 266 . 1 1 32 32 ILE HD11 H 1 0.833 0.003 . . . . . . 32 ILE HD11 . 6944 1 267 . 1 1 32 32 ILE HD12 H 1 0.833 0.003 . . . . . . 32 ILE HD12 . 6944 1 268 . 1 1 32 32 ILE HD13 H 1 0.833 0.003 . . . . . . 32 ILE HD13 . 6944 1 269 . 1 1 32 32 ILE C C 13 174.970 0.000 . . . . . . 32 ILE C . 6944 1 270 . 1 1 32 32 ILE CA C 13 62.360 0.000 . . . . . . 32 ILE CA . 6944 1 271 . 1 1 32 32 ILE CB C 13 38.822 0.000 . . . . . . 32 ILE CB . 6944 1 272 . 1 1 32 32 ILE CG1 C 13 28.790 0.000 . . . . . . 32 ILE CG1 . 6944 1 273 . 1 1 32 32 ILE CG2 C 13 17.283 0.000 . . . . . . 32 ILE CG2 . 6944 1 274 . 1 1 32 32 ILE CD1 C 13 14.037 0.000 . . . . . . 32 ILE CD1 . 6944 1 275 . 1 1 32 32 ILE N N 15 121.946 0.000 . . . . . . 32 ILE N . 6944 1 276 . 1 1 33 33 LYS H H 1 9.098 0.000 . . . . . . 33 LYS H . 6944 1 277 . 1 1 33 33 LYS HA H 1 5.116 0.003 . . . . . . 33 LYS HA . 6944 1 278 . 1 1 33 33 LYS HB2 H 1 1.645 0.002 . . . . . . 33 LYS HB2 . 6944 1 279 . 1 1 33 33 LYS HB3 H 1 1.763 0.002 . . . . . . 33 LYS HB3 . 6944 1 280 . 1 1 33 33 LYS HG2 H 1 1.296 0.001 . . . . . . 33 LYS HG2 . 6944 1 281 . 1 1 33 33 LYS HG3 H 1 1.493 0.002 . . . . . . 33 LYS HG3 . 6944 1 282 . 1 1 33 33 LYS HD2 H 1 1.572 0.007 . . . . . . 33 LYS HD2 . 6944 1 283 . 1 1 33 33 LYS HD3 H 1 1.601 0.001 . . . . . . 33 LYS HD3 . 6944 1 284 . 1 1 33 33 LYS HE2 H 1 2.917 0.003 . . . . . . 33 LYS HE2 . 6944 1 285 . 1 1 33 33 LYS HE3 H 1 2.917 0.000 . . . . . . 33 LYS HE3 . 6944 1 286 . 1 1 33 33 LYS C C 13 173.490 0.000 . . . . . . 33 LYS C . 6944 1 287 . 1 1 33 33 LYS CA C 13 55.574 0.000 . . . . . . 33 LYS CA . 6944 1 288 . 1 1 33 33 LYS CB C 13 35.282 0.000 . . . . . . 33 LYS CB . 6944 1 289 . 1 1 33 33 LYS CG C 13 23.479 0.000 . . . . . . 33 LYS CG . 6944 1 290 . 1 1 33 33 LYS CD C 13 29.085 0.000 . . . . . . 33 LYS CD . 6944 1 291 . 1 1 33 33 LYS CE C 13 42.068 0.000 . . . . . . 33 LYS CE . 6944 1 292 . 1 1 33 33 LYS N N 15 126.755 0.000 . . . . . . 33 LYS N . 6944 1 293 . 1 1 34 34 THR H H 1 9.319 0.000 . . . . . . 34 THR H . 6944 1 294 . 1 1 34 34 THR HA H 1 4.894 0.000 . . . . . . 34 THR HA . 6944 1 295 . 1 1 34 34 THR HB H 1 4.252 0.002 . . . . . . 34 THR HB . 6944 1 296 . 1 1 34 34 THR HG21 H 1 1.206 0.008 . . . . . . 34 THR HG21 . 6944 1 297 . 1 1 34 34 THR HG22 H 1 1.206 0.008 . . . . . . 34 THR HG22 . 6944 1 298 . 1 1 34 34 THR HG23 H 1 1.206 0.008 . . . . . . 34 THR HG23 . 6944 1 299 . 1 1 34 34 THR C C 13 172.598 0.000 . . . . . . 34 THR C . 6944 1 300 . 1 1 34 34 THR CA C 13 62.938 0.000 . . . . . . 34 THR CA . 6944 1 301 . 1 1 34 34 THR CB C 13 70.327 0.000 . . . . . . 34 THR CB . 6944 1 302 . 1 1 34 34 THR CG2 C 13 21.414 0.000 . . . . . . 34 THR CG2 . 6944 1 303 . 1 1 34 34 THR N N 15 117.350 0.000 . . . . . . 34 THR N . 6944 1 304 . 1 1 35 35 VAL H H 1 9.478 0.000 . . . . . . 35 VAL H . 6944 1 305 . 1 1 35 35 VAL HA H 1 4.365 0.003 . . . . . . 35 VAL HA . 6944 1 306 . 1 1 35 35 VAL HB H 1 2.200 0.001 . . . . . . 35 VAL HB . 6944 1 307 . 1 1 35 35 VAL HG11 H 1 0.913 0.002 . . . . . . 35 VAL HG11 . 6944 1 308 . 1 1 35 35 VAL HG12 H 1 0.913 0.002 . . . . . . 35 VAL HG12 . 6944 1 309 . 1 1 35 35 VAL HG13 H 1 0.913 0.002 . . . . . . 35 VAL HG13 . 6944 1 310 . 1 1 35 35 VAL C C 13 176.290 0.000 . . . . . . 35 VAL C . 6944 1 311 . 1 1 35 35 VAL CA C 13 61.181 0.000 . . . . . . 35 VAL CA . 6944 1 312 . 1 1 35 35 VAL CB C 13 33.216 0.000 . . . . . . 35 VAL CB . 6944 1 313 . 1 1 35 35 VAL CG1 C 13 20.528 0.000 . . . . . . 35 VAL CG1 . 6944 1 314 . 1 1 35 35 VAL N N 15 128.436 0.000 . . . . . . 35 VAL N . 6944 1 315 . 1 1 36 36 ILE H H 1 9.050 0.000 . . . . . . 36 ILE H . 6944 1 316 . 1 1 36 36 ILE HA H 1 4.865 0.000 . . . . . . 36 ILE HA . 6944 1 317 . 1 1 36 36 ILE HB H 1 2.247 0.003 . . . . . . 36 ILE HB . 6944 1 318 . 1 1 36 36 ILE HG12 H 1 1.212 0.002 . . . . . . 36 ILE HG12 . 6944 1 319 . 1 1 36 36 ILE HG13 H 1 1.620 0.002 . . . . . . 36 ILE HG13 . 6944 1 320 . 1 1 36 36 ILE HD11 H 1 1.050 0.001 . . . . . . 36 ILE HD11 . 6944 1 321 . 1 1 36 36 ILE HD12 H 1 1.050 0.001 . . . . . . 36 ILE HD12 . 6944 1 322 . 1 1 36 36 ILE HD13 H 1 1.050 0.001 . . . . . . 36 ILE HD13 . 6944 1 323 . 1 1 36 36 ILE C C 13 177.485 0.000 . . . . . . 36 ILE C . 6944 1 324 . 1 1 36 36 ILE CA C 13 61.170 0.000 . . . . . . 36 ILE CA . 6944 1 325 . 1 1 36 36 ILE CB C 13 35.282 0.000 . . . . . . 36 ILE CB . 6944 1 326 . 1 1 36 36 ILE CG1 C 13 28.790 0.000 . . . . . . 36 ILE CG1 . 6944 1 327 . 1 1 36 36 ILE CD1 C 13 14.922 0.000 . . . . . . 36 ILE CD1 . 6944 1 328 . 1 1 36 36 ILE N N 15 128.335 0.000 . . . . . . 36 ILE N . 6944 1 329 . 1 1 37 37 VAL H H 1 8.256 0.000 . . . . . . 37 VAL H . 6944 1 330 . 1 1 37 37 VAL HA H 1 3.818 0.003 . . . . . . 37 VAL HA . 6944 1 331 . 1 1 37 37 VAL HB H 1 1.886 0.002 . . . . . . 37 VAL HB . 6944 1 332 . 1 1 37 37 VAL HG11 H 1 1.069 0.005 . . . . . . 37 VAL HG11 . 6944 1 333 . 1 1 37 37 VAL HG12 H 1 1.069 0.005 . . . . . . 37 VAL HG12 . 6944 1 334 . 1 1 37 37 VAL HG13 H 1 1.069 0.005 . . . . . . 37 VAL HG13 . 6944 1 335 . 1 1 37 37 VAL HG21 H 1 1.089 0.007 . . . . . . 37 VAL HG21 . 6944 1 336 . 1 1 37 37 VAL HG22 H 1 1.089 0.007 . . . . . . 37 VAL HG22 . 6944 1 337 . 1 1 37 37 VAL HG23 H 1 1.089 0.007 . . . . . . 37 VAL HG23 . 6944 1 338 . 1 1 37 37 VAL C C 13 176.736 0.000 . . . . . . 37 VAL C . 6944 1 339 . 1 1 37 37 VAL CA C 13 66.196 0.000 . . . . . . 37 VAL CA . 6944 1 340 . 1 1 37 37 VAL CB C 13 32.626 0.000 . . . . . . 37 VAL CB . 6944 1 341 . 1 1 37 37 VAL CG1 C 13 20.528 0.000 . . . . . . 37 VAL CG1 . 6944 1 342 . 1 1 37 37 VAL CG2 C 13 22.299 0.000 . . . . . . 37 VAL CG2 . 6944 1 343 . 1 1 37 37 VAL N N 15 128.460 0.000 . . . . . . 37 VAL N . 6944 1 344 . 1 1 38 38 ASN H H 1 8.262 0.000 . . . . . . 38 ASN H . 6944 1 345 . 1 1 38 38 ASN HA H 1 5.522 0.003 . . . . . . 38 ASN HA . 6944 1 346 . 1 1 38 38 ASN HB2 H 1 2.689 0.008 . . . . . . 38 ASN HB2 . 6944 1 347 . 1 1 38 38 ASN HB3 H 1 3.452 0.005 . . . . . . 38 ASN HB3 . 6944 1 348 . 1 1 38 38 ASN C C 13 175.844 0.000 . . . . . . 38 ASN C . 6944 1 349 . 1 1 38 38 ASN CA C 13 51.442 0.000 . . . . . . 38 ASN CA . 6944 1 350 . 1 1 38 38 ASN CB C 13 37.642 0.000 . . . . . . 38 ASN CB . 6944 1 351 . 1 1 38 38 ASN N N 15 116.033 0.000 . . . . . . 38 ASN N . 6944 1 352 . 1 1 39 39 MET H H 1 7.576 0.000 . . . . . . 39 MET H . 6944 1 353 . 1 1 39 39 MET HA H 1 4.191 0.002 . . . . . . 39 MET HA . 6944 1 354 . 1 1 39 39 MET HE1 H 1 2.008 0.002 . . . . . . 39 MET HE1 . 6944 1 355 . 1 1 39 39 MET HE2 H 1 2.008 0.002 . . . . . . 39 MET HE2 . 6944 1 356 . 1 1 39 39 MET HE3 H 1 2.008 0.002 . . . . . . 39 MET HE3 . 6944 1 357 . 1 1 39 39 MET C C 13 177.521 0.000 . . . . . . 39 MET C . 6944 1 358 . 1 1 39 39 MET CA C 13 58.229 0.000 . . . . . . 39 MET CA . 6944 1 359 . 1 1 39 39 MET CB C 13 33.534 0.000 . . . . . . 39 MET CB . 6944 1 360 . 1 1 39 39 MET CE C 13 19.053 0.000 . . . . . . 39 MET CE . 6944 1 361 . 1 1 39 39 MET N N 15 119.158 0.000 . . . . . . 39 MET N . 6944 1 362 . 1 1 40 40 VAL H H 1 8.854 0.000 . . . . . . 40 VAL H . 6944 1 363 . 1 1 40 40 VAL HA H 1 3.446 0.005 . . . . . . 40 VAL HA . 6944 1 364 . 1 1 40 40 VAL HB H 1 2.182 0.009 . . . . . . 40 VAL HB . 6944 1 365 . 1 1 40 40 VAL HG11 H 1 1.018 0.006 . . . . . . 40 VAL HG11 . 6944 1 366 . 1 1 40 40 VAL HG12 H 1 1.018 0.006 . . . . . . 40 VAL HG12 . 6944 1 367 . 1 1 40 40 VAL HG13 H 1 1.018 0.006 . . . . . . 40 VAL HG13 . 6944 1 368 . 1 1 40 40 VAL HG21 H 1 1.155 0.007 . . . . . . 40 VAL HG21 . 6944 1 369 . 1 1 40 40 VAL HG22 H 1 1.155 0.007 . . . . . . 40 VAL HG22 . 6944 1 370 . 1 1 40 40 VAL HG23 H 1 1.155 0.007 . . . . . . 40 VAL HG23 . 6944 1 371 . 1 1 40 40 VAL C C 13 177.681 0.000 . . . . . . 40 VAL C . 6944 1 372 . 1 1 40 40 VAL CA C 13 67.671 0.000 . . . . . . 40 VAL CA . 6944 1 373 . 1 1 40 40 VAL CB C 13 31.151 0.000 . . . . . . 40 VAL CB . 6944 1 374 . 1 1 40 40 VAL CG1 C 13 20.824 0.000 . . . . . . 40 VAL CG1 . 6944 1 375 . 1 1 40 40 VAL CG2 C 13 23.479 0.000 . . . . . . 40 VAL CG2 . 6944 1 376 . 1 1 40 40 VAL N N 15 116.873 0.000 . . . . . . 40 VAL N . 6944 1 377 . 1 1 41 41 ASP H H 1 7.572 0.000 . . . . . . 41 ASP H . 6944 1 378 . 1 1 41 41 ASP HA H 1 4.493 0.006 . . . . . . 41 ASP HA . 6944 1 379 . 1 1 41 41 ASP HB2 H 1 2.723 0.002 . . . . . . 41 ASP HB2 . 6944 1 380 . 1 1 41 41 ASP HB3 H 1 2.723 0.000 . . . . . . 41 ASP HB3 . 6944 1 381 . 1 1 41 41 ASP C C 13 179.286 0.000 . . . . . . 41 ASP C . 6944 1 382 . 1 1 41 41 ASP CA C 13 57.334 0.000 . . . . . . 41 ASP CA . 6944 1 383 . 1 1 41 41 ASP CB C 13 41.183 0.000 . . . . . . 41 ASP CB . 6944 1 384 . 1 1 41 41 ASP N N 15 120.513 0.000 . . . . . . 41 ASP N . 6944 1 385 . 1 1 42 42 VAL H H 1 8.064 0.000 . . . . . . 42 VAL H . 6944 1 386 . 1 1 42 42 VAL HA H 1 3.407 0.003 . . . . . . 42 VAL HA . 6944 1 387 . 1 1 42 42 VAL HB H 1 2.019 0.004 . . . . . . 42 VAL HB . 6944 1 388 . 1 1 42 42 VAL HG11 H 1 0.872 0.009 . . . . . . 42 VAL HG11 . 6944 1 389 . 1 1 42 42 VAL HG12 H 1 0.872 0.009 . . . . . . 42 VAL HG12 . 6944 1 390 . 1 1 42 42 VAL HG13 H 1 0.872 0.009 . . . . . . 42 VAL HG13 . 6944 1 391 . 1 1 42 42 VAL HG21 H 1 0.995 0.008 . . . . . . 42 VAL HG21 . 6944 1 392 . 1 1 42 42 VAL HG22 H 1 0.995 0.008 . . . . . . 42 VAL HG22 . 6944 1 393 . 1 1 42 42 VAL HG23 H 1 0.995 0.008 . . . . . . 42 VAL HG23 . 6944 1 394 . 1 1 42 42 VAL C C 13 176.450 0.000 . . . . . . 42 VAL C . 6944 1 395 . 1 1 42 42 VAL CA C 13 67.671 0.000 . . . . . . 42 VAL CA . 6944 1 396 . 1 1 42 42 VAL CB C 13 32.036 0.000 . . . . . . 42 VAL CB . 6944 1 397 . 1 1 42 42 VAL CG1 C 13 21.414 0.000 . . . . . . 42 VAL CG1 . 6944 1 398 . 1 1 42 42 VAL CG2 C 13 22.594 0.000 . . . . . . 42 VAL CG2 . 6944 1 399 . 1 1 42 42 VAL N N 15 122.180 0.000 . . . . . . 42 VAL N . 6944 1 400 . 1 1 43 43 ALA H H 1 8.792 0.000 . . . . . . 43 ALA H . 6944 1 401 . 1 1 43 43 ALA HA H 1 3.705 0.003 . . . . . . 43 ALA HA . 6944 1 402 . 1 1 43 43 ALA HB1 H 1 1.415 0.001 . . . . . . 43 ALA HB1 . 6944 1 403 . 1 1 43 43 ALA HB2 H 1 1.415 0.001 . . . . . . 43 ALA HB2 . 6944 1 404 . 1 1 43 43 ALA HB3 H 1 1.415 0.001 . . . . . . 43 ALA HB3 . 6944 1 405 . 1 1 43 43 ALA C C 13 179.518 0.000 . . . . . . 43 ALA C . 6944 1 406 . 1 1 43 43 ALA CA C 13 55.869 0.000 . . . . . . 43 ALA CA . 6944 1 407 . 1 1 43 43 ALA CB C 13 17.283 0.000 . . . . . . 43 ALA CB . 6944 1 408 . 1 1 43 43 ALA N N 15 120.721 0.000 . . . . . . 43 ALA N . 6944 1 409 . 1 1 44 44 LYS H H 1 8.058 0.000 . . . . . . 44 LYS H . 6944 1 410 . 1 1 44 44 LYS HA H 1 4.236 0.000 . . . . . . 44 LYS HA . 6944 1 411 . 1 1 44 44 LYS HB2 H 1 1.982 0.002 . . . . . . 44 LYS HB2 . 6944 1 412 . 1 1 44 44 LYS HB3 H 1 2.049 0.002 . . . . . . 44 LYS HB3 . 6944 1 413 . 1 1 44 44 LYS HG2 H 1 1.669 0.005 . . . . . . 44 LYS HG2 . 6944 1 414 . 1 1 44 44 LYS HG3 H 1 1.669 0.000 . . . . . . 44 LYS HG3 . 6944 1 415 . 1 1 44 44 LYS HD2 H 1 1.774 0.002 . . . . . . 44 LYS HD2 . 6944 1 416 . 1 1 44 44 LYS HD3 H 1 1.774 0.000 . . . . . . 44 LYS HD3 . 6944 1 417 . 1 1 44 44 LYS HE2 H 1 2.998 0.000 . . . . . . 44 LYS HE2 . 6944 1 418 . 1 1 44 44 LYS HE3 H 1 2.998 0.000 . . . . . . 44 LYS HE3 . 6944 1 419 . 1 1 44 44 LYS C C 13 180.249 0.000 . . . . . . 44 LYS C . 6944 1 420 . 1 1 44 44 LYS CA C 13 59.705 0.000 . . . . . . 44 LYS CA . 6944 1 421 . 1 1 44 44 LYS CB C 13 32.331 0.000 . . . . . . 44 LYS CB . 6944 1 422 . 1 1 44 44 LYS CG C 13 25.249 0.000 . . . . . . 44 LYS CG . 6944 1 423 . 1 1 44 44 LYS CD C 13 29.380 0.000 . . . . . . 44 LYS CD . 6944 1 424 . 1 1 44 44 LYS N N 15 117.976 0.000 . . . . . . 44 LYS N . 6944 1 425 . 1 1 45 45 ALA H H 1 7.473 0.000 . . . . . . 45 ALA H . 6944 1 426 . 1 1 45 45 ALA HA H 1 4.388 0.000 . . . . . . 45 ALA HA . 6944 1 427 . 1 1 45 45 ALA HB1 H 1 1.789 0.002 . . . . . . 45 ALA HB1 . 6944 1 428 . 1 1 45 45 ALA HB2 H 1 1.789 0.002 . . . . . . 45 ALA HB2 . 6944 1 429 . 1 1 45 45 ALA HB3 H 1 1.789 0.002 . . . . . . 45 ALA HB3 . 6944 1 430 . 1 1 45 45 ALA C C 13 177.895 0.000 . . . . . . 45 ALA C . 6944 1 431 . 1 1 45 45 ALA CA C 13 54.507 0.000 . . . . . . 45 ALA CA . 6944 1 432 . 1 1 45 45 ALA CB C 13 18.168 0.000 . . . . . . 45 ALA CB . 6944 1 433 . 1 1 45 45 ALA N N 15 121.988 0.000 . . . . . . 45 ALA N . 6944 1 434 . 1 1 46 46 LEU H H 1 7.421 0.000 . . . . . . 46 LEU H . 6944 1 435 . 1 1 46 46 LEU HA H 1 4.363 0.001 . . . . . . 46 LEU HA . 6944 1 436 . 1 1 46 46 LEU HB2 H 1 1.681 0.001 . . . . . . 46 LEU HB2 . 6944 1 437 . 1 1 46 46 LEU HB3 H 1 1.796 0.002 . . . . . . 46 LEU HB3 . 6944 1 438 . 1 1 46 46 LEU HG H 1 2.237 0.001 . . . . . . 46 LEU HG . 6944 1 439 . 1 1 46 46 LEU HD11 H 1 1.020 0.001 . . . . . . 46 LEU HD11 . 6944 1 440 . 1 1 46 46 LEU HD12 H 1 1.020 0.001 . . . . . . 46 LEU HD12 . 6944 1 441 . 1 1 46 46 LEU HD13 H 1 1.020 0.001 . . . . . . 46 LEU HD13 . 6944 1 442 . 1 1 46 46 LEU HD21 H 1 0.845 0.003 . . . . . . 46 LEU HD21 . 6944 1 443 . 1 1 46 46 LEU HD22 H 1 0.845 0.003 . . . . . . 46 LEU HD22 . 6944 1 444 . 1 1 46 46 LEU HD23 H 1 0.845 0.003 . . . . . . 46 LEU HD23 . 6944 1 445 . 1 1 46 46 LEU C C 13 176.147 0.000 . . . . . . 46 LEU C . 6944 1 446 . 1 1 46 46 LEU CA C 13 54.099 0.000 . . . . . . 46 LEU CA . 6944 1 447 . 1 1 46 46 LEU CB C 13 41.773 0.000 . . . . . . 46 LEU CB . 6944 1 448 . 1 1 46 46 LEU CG C 13 25.545 0.000 . . . . . . 46 LEU CG . 6944 1 449 . 1 1 46 46 LEU CD1 C 13 23.184 0.000 . . . . . . 46 LEU CD1 . 6944 1 450 . 1 1 46 46 LEU CD2 C 13 25.840 0.000 . . . . . . 46 LEU CD2 . 6944 1 451 . 1 1 46 46 LEU N N 15 113.589 0.000 . . . . . . 46 LEU N . 6944 1 452 . 1 1 47 47 ASN H H 1 8.181 0.000 . . . . . . 47 ASN H . 6944 1 453 . 1 1 47 47 ASN HA H 1 4.478 0.003 . . . . . . 47 ASN HA . 6944 1 454 . 1 1 47 47 ASN HB2 H 1 2.766 0.002 . . . . . . 47 ASN HB2 . 6944 1 455 . 1 1 47 47 ASN HB3 H 1 3.378 0.009 . . . . . . 47 ASN HB3 . 6944 1 456 . 1 1 47 47 ASN C C 13 175.773 0.000 . . . . . . 47 ASN C . 6944 1 457 . 1 1 47 47 ASN CA C 13 54.099 0.000 . . . . . . 47 ASN CA . 6944 1 458 . 1 1 47 47 ASN CB C 13 37.937 0.000 . . . . . . 47 ASN CB . 6944 1 459 . 1 1 47 47 ASN N N 15 117.953 0.000 . . . . . . 47 ASN N . 6944 1 460 . 1 1 48 48 ARG H H 1 8.005 0.000 . . . . . . 48 ARG H . 6944 1 461 . 1 1 48 48 ARG HA H 1 5.008 0.003 . . . . . . 48 ARG HA . 6944 1 462 . 1 1 48 48 ARG HG2 H 1 2.013 0.000 . . . . . . 48 ARG HG2 . 6944 1 463 . 1 1 48 48 ARG HG3 H 1 2.013 0.000 . . . . . . 48 ARG HG3 . 6944 1 464 . 1 1 48 48 ARG CA C 13 51.148 0.000 . . . . . . 48 ARG CA . 6944 1 465 . 1 1 48 48 ARG CG C 13 27.315 0.000 . . . . . . 48 ARG CG . 6944 1 466 . 1 1 48 48 ARG N N 15 117.225 0.000 . . . . . . 48 ARG N . 6944 1 467 . 1 1 50 50 PRO HA H 1 3.655 0.003 . . . . . . 50 PRO HA . 6944 1 468 . 1 1 50 50 PRO HB2 H 1 0.686 0.000 . . . . . . 50 PRO HB2 . 6944 1 469 . 1 1 50 50 PRO HB3 H 1 1.438 0.001 . . . . . . 50 PRO HB3 . 6944 1 470 . 1 1 50 50 PRO HG2 H 1 1.951 0.002 . . . . . . 50 PRO HG2 . 6944 1 471 . 1 1 50 50 PRO HG3 H 1 1.951 0.000 . . . . . . 50 PRO HG3 . 6944 1 472 . 1 1 50 50 PRO HD2 H 1 3.597 0.001 . . . . . . 50 PRO HD2 . 6944 1 473 . 1 1 50 50 PRO HD3 H 1 3.928 0.003 . . . . . . 50 PRO HD3 . 6944 1 474 . 1 1 50 50 PRO C C 13 176.343 0.000 . . . . . . 50 PRO C . 6944 1 475 . 1 1 50 50 PRO CA C 13 64.426 0.000 . . . . . . 50 PRO CA . 6944 1 476 . 1 1 50 50 PRO CB C 13 30.561 0.000 . . . . . . 50 PRO CB . 6944 1 477 . 1 1 50 50 PRO CG C 13 27.905 0.000 . . . . . . 50 PRO CG . 6944 1 478 . 1 1 50 50 PRO CD C 13 50.558 0.000 . . . . . . 50 PRO CD . 6944 1 479 . 1 1 51 51 THR H H 1 7.005 0.000 . . . . . . 51 THR H . 6944 1 480 . 1 1 51 51 THR HA H 1 3.372 0.007 . . . . . . 51 THR HA . 6944 1 481 . 1 1 51 51 THR HB H 1 3.938 0.002 . . . . . . 51 THR HB . 6944 1 482 . 1 1 51 51 THR HG21 H 1 0.735 0.004 . . . . . . 51 THR HG21 . 6944 1 483 . 1 1 51 51 THR HG22 H 1 0.735 0.004 . . . . . . 51 THR HG22 . 6944 1 484 . 1 1 51 51 THR HG23 H 1 0.735 0.004 . . . . . . 51 THR HG23 . 6944 1 485 . 1 1 51 51 THR C C 13 175.844 0.000 . . . . . . 51 THR C . 6944 1 486 . 1 1 51 51 THR CA C 13 63.541 0.000 . . . . . . 51 THR CA . 6944 1 487 . 1 1 51 51 THR CB C 13 68.557 0.000 . . . . . . 51 THR CB . 6944 1 488 . 1 1 51 51 THR CG2 C 13 22.299 0.000 . . . . . . 51 THR CG2 . 6944 1 489 . 1 1 51 51 THR N N 15 108.086 0.000 . . . . . . 51 THR N . 6944 1 490 . 1 1 52 52 TYR H H 1 7.812 0.000 . . . . . . 52 TYR H . 6944 1 491 . 1 1 52 52 TYR CA C 13 60.141 0.000 . . . . . . 52 TYR CA . 6944 1 492 . 1 1 52 52 TYR N N 15 119.597 0.000 . . . . . . 52 TYR N . 6944 1 493 . 1 1 53 53 PRO C C 13 175.487 0.000 . . . . . . 53 PRO C . 6944 1 494 . 1 1 53 53 PRO CA C 13 63.981 0.000 . . . . . . 53 PRO CA . 6944 1 495 . 1 1 54 54 THR H H 1 6.060 0.000 . . . . . . 54 THR H . 6944 1 496 . 1 1 54 54 THR HA H 1 4.136 0.002 . . . . . . 54 THR HA . 6944 1 497 . 1 1 54 54 THR HB H 1 4.571 0.000 . . . . . . 54 THR HB . 6944 1 498 . 1 1 54 54 THR HG21 H 1 1.377 0.003 . . . . . . 54 THR HG21 . 6944 1 499 . 1 1 54 54 THR HG22 H 1 1.377 0.003 . . . . . . 54 THR HG22 . 6944 1 500 . 1 1 54 54 THR HG23 H 1 1.377 0.003 . . . . . . 54 THR HG23 . 6944 1 501 . 1 1 54 54 THR C C 13 175.077 0.000 . . . . . . 54 THR C . 6944 1 502 . 1 1 54 54 THR CA C 13 68.557 0.000 . . . . . . 54 THR CA . 6944 1 503 . 1 1 54 54 THR CG2 C 13 22.299 0.000 . . . . . . 54 THR CG2 . 6944 1 504 . 1 1 54 54 THR N N 15 110.124 0.000 . . . . . . 54 THR N . 6944 1 505 . 1 1 55 55 LYS H H 1 8.222 0.000 . . . . . . 55 LYS H . 6944 1 506 . 1 1 55 55 LYS C C 13 178.484 0.000 . . . . . . 55 LYS C . 6944 1 507 . 1 1 55 55 LYS CA C 13 57.081 0.000 . . . . . . 55 LYS CA . 6944 1 508 . 1 1 55 55 LYS CB C 13 32.946 0.000 . . . . . . 55 LYS CB . 6944 1 509 . 1 1 55 55 LYS N N 15 119.620 0.000 . . . . . . 55 LYS N . 6944 1 510 . 1 1 56 56 TYR H H 1 8.312 0.000 . . . . . . 56 TYR H . 6944 1 511 . 1 1 56 56 TYR HA H 1 3.830 0.003 . . . . . . 56 TYR HA . 6944 1 512 . 1 1 56 56 TYR HB2 H 1 2.940 0.004 . . . . . . 56 TYR HB2 . 6944 1 513 . 1 1 56 56 TYR HB3 H 1 2.940 0.000 . . . . . . 56 TYR HB3 . 6944 1 514 . 1 1 56 56 TYR C C 13 176.647 0.000 . . . . . . 56 TYR C . 6944 1 515 . 1 1 56 56 TYR CA C 13 63.451 0.000 . . . . . . 56 TYR CA . 6944 1 516 . 1 1 56 56 TYR CB C 13 42.953 0.000 . . . . . . 56 TYR CB . 6944 1 517 . 1 1 56 56 TYR N N 15 121.813 0.000 . . . . . . 56 TYR N . 6944 1 518 . 1 1 57 57 PHE H H 1 8.043 0.000 . . . . . . 57 PHE H . 6944 1 519 . 1 1 57 57 PHE HA H 1 4.550 0.008 . . . . . . 57 PHE HA . 6944 1 520 . 1 1 57 57 PHE HB2 H 1 2.946 0.003 . . . . . . 57 PHE HB2 . 6944 1 521 . 1 1 57 57 PHE HB3 H 1 3.441 0.007 . . . . . . 57 PHE HB3 . 6944 1 522 . 1 1 57 57 PHE HD1 H 1 7.133 0.004 . . . . . . 57 PHE HD1 . 6944 1 523 . 1 1 57 57 PHE HD2 H 1 7.133 0.000 . . . . . . 57 PHE HD2 . 6944 1 524 . 1 1 57 57 PHE C C 13 178.091 0.000 . . . . . . 57 PHE C . 6944 1 525 . 1 1 57 57 PHE CA C 13 58.229 0.000 . . . . . . 57 PHE CA . 6944 1 526 . 1 1 57 57 PHE CB C 13 37.347 0.000 . . . . . . 57 PHE CB . 6944 1 527 . 1 1 57 57 PHE CD1 C 13 131.271 0.000 . . . . . . 57 PHE CD1 . 6944 1 528 . 1 1 57 57 PHE CD2 C 13 131.271 0.000 . . . . . . 57 PHE CD2 . 6944 1 529 . 1 1 57 57 PHE N N 15 117.131 0.000 . . . . . . 57 PHE N . 6944 1 530 . 1 1 58 58 GLY H H 1 7.888 0.000 . . . . . . 58 GLY H . 6944 1 531 . 1 1 58 58 GLY HA2 H 1 3.732 0.001 . . . . . . 58 GLY HA1 . 6944 1 532 . 1 1 58 58 GLY HA3 H 1 4.102 0.003 . . . . . . 58 GLY HA2 . 6944 1 533 . 1 1 58 58 GLY C C 13 176.593 0.000 . . . . . . 58 GLY C . 6944 1 534 . 1 1 58 58 GLY CA C 13 48.787 0.000 . . . . . . 58 GLY CA . 6944 1 535 . 1 1 58 58 GLY N N 15 104.830 0.000 . . . . . . 58 GLY N . 6944 1 536 . 1 1 59 59 CYS H H 1 8.704 0.000 . . . . . . 59 CYS H . 6944 1 537 . 1 1 59 59 CYS HA H 1 4.149 0.006 . . . . . . 59 CYS HA . 6944 1 538 . 1 1 59 59 CYS HB2 H 1 2.935 0.000 . . . . . . 59 CYS HB2 . 6944 1 539 . 1 1 59 59 CYS HB3 H 1 3.211 0.003 . . . . . . 59 CYS HB3 . 6944 1 540 . 1 1 59 59 CYS C C 13 177.360 0.000 . . . . . . 59 CYS C . 6944 1 541 . 1 1 59 59 CYS CA C 13 63.541 0.000 . . . . . . 59 CYS CA . 6944 1 542 . 1 1 59 59 CYS CB C 13 27.020 0.000 . . . . . . 59 CYS CB . 6944 1 543 . 1 1 59 59 CYS N N 15 119.808 0.000 . . . . . . 59 CYS N . 6944 1 544 . 1 1 60 60 GLU H H 1 8.169 0.000 . . . . . . 60 GLU H . 6944 1 545 . 1 1 60 60 GLU HA H 1 3.922 0.002 . . . . . . 60 GLU HA . 6944 1 546 . 1 1 60 60 GLU HG2 H 1 1.724 0.001 . . . . . . 60 GLU HG2 . 6944 1 547 . 1 1 60 60 GLU HG3 H 1 1.998 0.003 . . . . . . 60 GLU HG3 . 6944 1 548 . 1 1 60 60 GLU C C 13 178.733 0.000 . . . . . . 60 GLU C . 6944 1 549 . 1 1 60 60 GLU CA C 13 58.581 0.000 . . . . . . 60 GLU CA . 6944 1 550 . 1 1 60 60 GLU CB C 13 30.424 0.000 . . . . . . 60 GLU CB . 6944 1 551 . 1 1 60 60 GLU CG C 13 36.757 0.000 . . . . . . 60 GLU CG . 6944 1 552 . 1 1 60 60 GLU N N 15 118.681 0.000 . . . . . . 60 GLU N . 6944 1 553 . 1 1 61 61 LEU H H 1 8.277 0.000 . . . . . . 61 LEU H . 6944 1 554 . 1 1 61 61 LEU HA H 1 4.302 0.002 . . . . . . 61 LEU HA . 6944 1 555 . 1 1 61 61 LEU HB2 H 1 1.379 0.002 . . . . . . 61 LEU HB2 . 6944 1 556 . 1 1 61 61 LEU HB3 H 1 1.640 0.000 . . . . . . 61 LEU HB3 . 6944 1 557 . 1 1 61 61 LEU HG H 1 1.589 0.006 . . . . . . 61 LEU HG . 6944 1 558 . 1 1 61 61 LEU HD11 H 1 0.849 0.005 . . . . . . 61 LEU HD11 . 6944 1 559 . 1 1 61 61 LEU HD12 H 1 0.849 0.005 . . . . . . 61 LEU HD12 . 6944 1 560 . 1 1 61 61 LEU HD13 H 1 0.849 0.005 . . . . . . 61 LEU HD13 . 6944 1 561 . 1 1 61 61 LEU HD21 H 1 -0.016 0.002 . . . . . . 61 LEU HD21 . 6944 1 562 . 1 1 61 61 LEU HD22 H 1 -0.016 0.002 . . . . . . 61 LEU HD22 . 6944 1 563 . 1 1 61 61 LEU HD23 H 1 -0.016 0.002 . . . . . . 61 LEU HD23 . 6944 1 564 . 1 1 61 61 LEU C C 13 177.788 0.000 . . . . . . 61 LEU C . 6944 1 565 . 1 1 61 61 LEU CA C 13 55.279 0.000 . . . . . . 61 LEU CA . 6944 1 566 . 1 1 61 61 LEU CB C 13 43.248 0.000 . . . . . . 61 LEU CB . 6944 1 567 . 1 1 61 61 LEU CG C 13 26.430 0.000 . . . . . . 61 LEU CG . 6944 1 568 . 1 1 61 61 LEU CD1 C 13 22.594 0.000 . . . . . . 61 LEU CD1 . 6944 1 569 . 1 1 61 61 LEU CD2 C 13 24.364 0.000 . . . . . . 61 LEU CD2 . 6944 1 570 . 1 1 61 61 LEU N N 15 116.321 0.000 . . . . . . 61 LEU N . 6944 1 571 . 1 1 62 62 GLY H H 1 7.821 0.000 . . . . . . 62 GLY H . 6944 1 572 . 1 1 62 62 GLY HA2 H 1 3.867 0.000 . . . . . . 62 GLY HA1 . 6944 1 573 . 1 1 62 62 GLY HA3 H 1 3.963 0.003 . . . . . . 62 GLY HA2 . 6944 1 574 . 1 1 62 62 GLY C C 13 173.793 0.000 . . . . . . 62 GLY C . 6944 1 575 . 1 1 62 62 GLY CA C 13 46.789 0.000 . . . . . . 62 GLY CA . 6944 1 576 . 1 1 62 62 GLY N N 15 110.623 0.000 . . . . . . 62 GLY N . 6944 1 577 . 1 1 63 63 ALA H H 1 8.340 0.000 . . . . . . 63 ALA H . 6944 1 578 . 1 1 63 63 ALA HA H 1 4.823 0.000 . . . . . . 63 ALA HA . 6944 1 579 . 1 1 63 63 ALA HB1 H 1 1.338 0.002 . . . . . . 63 ALA HB1 . 6944 1 580 . 1 1 63 63 ALA HB2 H 1 1.338 0.002 . . . . . . 63 ALA HB2 . 6944 1 581 . 1 1 63 63 ALA HB3 H 1 1.338 0.002 . . . . . . 63 ALA HB3 . 6944 1 582 . 1 1 63 63 ALA C C 13 176.504 0.000 . . . . . . 63 ALA C . 6944 1 583 . 1 1 63 63 ALA CA C 13 50.054 0.000 . . . . . . 63 ALA CA . 6944 1 584 . 1 1 63 63 ALA CB C 13 23.774 0.000 . . . . . . 63 ALA CB . 6944 1 585 . 1 1 63 63 ALA N N 15 121.971 0.000 . . . . . . 63 ALA N . 6944 1 586 . 1 1 64 64 GLN H H 1 8.682 0.000 . . . . . . 64 GLN H . 6944 1 587 . 1 1 64 64 GLN HA H 1 4.299 0.001 . . . . . . 64 GLN HA . 6944 1 588 . 1 1 64 64 GLN HB2 H 1 1.958 0.001 . . . . . . 64 GLN HB2 . 6944 1 589 . 1 1 64 64 GLN HB3 H 1 2.112 0.002 . . . . . . 64 GLN HB3 . 6944 1 590 . 1 1 64 64 GLN HG2 H 1 2.439 0.007 . . . . . . 64 GLN HG2 . 6944 1 591 . 1 1 64 64 GLN HG3 H 1 2.508 0.006 . . . . . . 64 GLN HG3 . 6944 1 592 . 1 1 64 64 GLN C C 13 174.542 0.000 . . . . . . 64 GLN C . 6944 1 593 . 1 1 64 64 GLN CA C 13 56.164 0.000 . . . . . . 64 GLN CA . 6944 1 594 . 1 1 64 64 GLN CB C 13 29.380 0.000 . . . . . . 64 GLN CB . 6944 1 595 . 1 1 64 64 GLN CG C 13 33.806 0.000 . . . . . . 64 GLN CG . 6944 1 596 . 1 1 64 64 GLN N N 15 120.710 0.000 . . . . . . 64 GLN N . 6944 1 597 . 1 1 65 65 THR H H 1 8.055 0.000 . . . . . . 65 THR H . 6944 1 598 . 1 1 65 65 THR HA H 1 5.119 0.003 . . . . . . 65 THR HA . 6944 1 599 . 1 1 65 65 THR HB H 1 4.038 0.001 . . . . . . 65 THR HB . 6944 1 600 . 1 1 65 65 THR HG21 H 1 1.300 0.001 . . . . . . 65 THR HG21 . 6944 1 601 . 1 1 65 65 THR HG22 H 1 1.300 0.001 . . . . . . 65 THR HG22 . 6944 1 602 . 1 1 65 65 THR HG23 H 1 1.300 0.001 . . . . . . 65 THR HG23 . 6944 1 603 . 1 1 65 65 THR C C 13 173.954 0.000 . . . . . . 65 THR C . 6944 1 604 . 1 1 65 65 THR CA C 13 59.115 0.000 . . . . . . 65 THR CA . 6944 1 605 . 1 1 65 65 THR CB C 13 73.278 0.000 . . . . . . 65 THR CB . 6944 1 606 . 1 1 65 65 THR CG2 C 13 22.889 0.000 . . . . . . 65 THR CG2 . 6944 1 607 . 1 1 65 65 THR N N 15 110.105 0.000 . . . . . . 65 THR N . 6944 1 608 . 1 1 66 66 GLN H H 1 8.652 0.000 . . . . . . 66 GLN H . 6944 1 609 . 1 1 66 66 GLN HA H 1 4.363 0.002 . . . . . . 66 GLN HA . 6944 1 610 . 1 1 66 66 GLN HB2 H 1 1.762 0.002 . . . . . . 66 GLN HB2 . 6944 1 611 . 1 1 66 66 GLN HB3 H 1 1.903 0.002 . . . . . . 66 GLN HB3 . 6944 1 612 . 1 1 66 66 GLN HG2 H 1 2.115 0.002 . . . . . . 66 GLN HG2 . 6944 1 613 . 1 1 66 66 GLN HG3 H 1 2.190 0.008 . . . . . . 66 GLN HG3 . 6944 1 614 . 1 1 66 66 GLN C C 13 173.080 0.000 . . . . . . 66 GLN C . 6944 1 615 . 1 1 66 66 GLN CA C 13 54.984 0.000 . . . . . . 66 GLN CA . 6944 1 616 . 1 1 66 66 GLN CB C 13 32.626 0.000 . . . . . . 66 GLN CB . 6944 1 617 . 1 1 66 66 GLN CG C 13 33.806 0.000 . . . . . . 66 GLN CG . 6944 1 618 . 1 1 66 66 GLN N N 15 118.127 0.000 . . . . . . 66 GLN N . 6944 1 619 . 1 1 67 67 PHE H H 1 8.496 0.000 . . . . . . 67 PHE H . 6944 1 620 . 1 1 67 67 PHE HA H 1 5.203 0.008 . . . . . . 67 PHE HA . 6944 1 621 . 1 1 67 67 PHE HB2 H 1 3.090 0.001 . . . . . . 67 PHE HB2 . 6944 1 622 . 1 1 67 67 PHE HB3 H 1 3.090 0.000 . . . . . . 67 PHE HB3 . 6944 1 623 . 1 1 67 67 PHE HD1 H 1 7.283 0.002 . . . . . . 67 PHE HD1 . 6944 1 624 . 1 1 67 67 PHE HD2 H 1 7.283 0.000 . . . . . . 67 PHE HD2 . 6944 1 625 . 1 1 67 67 PHE HE1 H 1 7.389 0.002 . . . . . . 67 PHE HE1 . 6944 1 626 . 1 1 67 67 PHE HE2 H 1 7.389 0.000 . . . . . . 67 PHE HE2 . 6944 1 627 . 1 1 67 67 PHE HZ H 1 7.113 0.002 . . . . . . 67 PHE HZ . 6944 1 628 . 1 1 67 67 PHE C C 13 174.756 0.000 . . . . . . 67 PHE C . 6944 1 629 . 1 1 67 67 PHE CA C 13 53.213 0.000 . . . . . . 67 PHE CA . 6944 1 630 . 1 1 67 67 PHE CB C 13 40.298 0.000 . . . . . . 67 PHE CB . 6944 1 631 . 1 1 67 67 PHE CD1 C 13 133.041 0.000 . . . . . . 67 PHE CD1 . 6944 1 632 . 1 1 67 67 PHE CD2 C 13 133.041 0.000 . . . . . . 67 PHE CD2 . 6944 1 633 . 1 1 67 67 PHE CE1 C 13 131.271 0.000 . . . . . . 67 PHE CE1 . 6944 1 634 . 1 1 67 67 PHE CE2 C 13 131.271 0.000 . . . . . . 67 PHE CE2 . 6944 1 635 . 1 1 67 67 PHE CZ C 13 130.386 0.000 . . . . . . 67 PHE CZ . 6944 1 636 . 1 1 67 67 PHE N N 15 120.865 0.000 . . . . . . 67 PHE N . 6944 1 637 . 1 1 68 68 ASP H H 1 8.700 0.000 . . . . . . 68 ASP H . 6944 1 638 . 1 1 68 68 ASP CA C 13 52.217 0.000 . . . . . . 68 ASP CA . 6944 1 639 . 1 1 68 68 ASP N N 15 124.297 0.000 . . . . . . 68 ASP N . 6944 1 640 . 1 1 69 69 VAL H H 1 8.415 0.000 . . . . . . 69 VAL H . 6944 1 641 . 1 1 69 69 VAL HA H 1 3.753 0.006 . . . . . . 69 VAL HA . 6944 1 642 . 1 1 69 69 VAL HB H 1 2.189 0.005 . . . . . . 69 VAL HB . 6944 1 643 . 1 1 69 69 VAL HG11 H 1 1.139 0.006 . . . . . . 69 VAL HG11 . 6944 1 644 . 1 1 69 69 VAL HG12 H 1 1.139 0.006 . . . . . . 69 VAL HG12 . 6944 1 645 . 1 1 69 69 VAL HG13 H 1 1.139 0.006 . . . . . . 69 VAL HG13 . 6944 1 646 . 1 1 69 69 VAL HG21 H 1 1.065 0.002 . . . . . . 69 VAL HG21 . 6944 1 647 . 1 1 69 69 VAL HG22 H 1 1.065 0.002 . . . . . . 69 VAL HG22 . 6944 1 648 . 1 1 69 69 VAL HG23 H 1 1.065 0.002 . . . . . . 69 VAL HG23 . 6944 1 649 . 1 1 69 69 VAL C C 13 179.072 0.000 . . . . . . 69 VAL C . 6944 1 650 . 1 1 69 69 VAL CA C 13 65.331 0.000 . . . . . . 69 VAL CA . 6944 1 651 . 1 1 69 69 VAL CB C 13 31.741 0.000 . . . . . . 69 VAL CB . 6944 1 652 . 1 1 69 69 VAL CG1 C 13 20.824 0.000 . . . . . . 69 VAL CG1 . 6944 1 653 . 1 1 69 69 VAL CG2 C 13 21.119 0.000 . . . . . . 69 VAL CG2 . 6944 1 654 . 1 1 69 69 VAL N N 15 122.908 0.000 . . . . . . 69 VAL N . 6944 1 655 . 1 1 70 70 LYS H H 1 8.388 0.000 . . . . . . 70 LYS H . 6944 1 656 . 1 1 70 70 LYS HA H 1 4.155 0.002 . . . . . . 70 LYS HA . 6944 1 657 . 1 1 70 70 LYS HB2 H 1 1.845 0.002 . . . . . . 70 LYS HB2 . 6944 1 658 . 1 1 70 70 LYS HB3 H 1 1.928 0.000 . . . . . . 70 LYS HB3 . 6944 1 659 . 1 1 70 70 LYS HG2 H 1 1.465 0.002 . . . . . . 70 LYS HG2 . 6944 1 660 . 1 1 70 70 LYS HG3 H 1 1.495 0.003 . . . . . . 70 LYS HG3 . 6944 1 661 . 1 1 70 70 LYS HD2 H 1 1.756 0.002 . . . . . . 70 LYS HD2 . 6944 1 662 . 1 1 70 70 LYS HD3 H 1 1.756 0.000 . . . . . . 70 LYS HD3 . 6944 1 663 . 1 1 70 70 LYS C C 13 176.039 0.000 . . . . . . 70 LYS C . 6944 1 664 . 1 1 70 70 LYS CA C 13 58.820 0.000 . . . . . . 70 LYS CA . 6944 1 665 . 1 1 70 70 LYS CB C 13 32.036 0.000 . . . . . . 70 LYS CB . 6944 1 666 . 1 1 70 70 LYS CG C 13 24.954 0.000 . . . . . . 70 LYS CG . 6944 1 667 . 1 1 70 70 LYS CD C 13 29.085 0.000 . . . . . . 70 LYS CD . 6944 1 668 . 1 1 70 70 LYS N N 15 120.936 0.000 . . . . . . 70 LYS N . 6944 1 669 . 1 1 71 71 ASN H H 1 7.192 0.000 . . . . . . 71 ASN H . 6944 1 670 . 1 1 71 71 ASN HA H 1 4.965 0.001 . . . . . . 71 ASN HA . 6944 1 671 . 1 1 71 71 ASN HB2 H 1 2.261 0.002 . . . . . . 71 ASN HB2 . 6944 1 672 . 1 1 71 71 ASN HB3 H 1 2.893 0.001 . . . . . . 71 ASN HB3 . 6944 1 673 . 1 1 71 71 ASN HD21 H 1 6.971 0.000 . . . . . . 71 ASN HD21 . 6944 1 674 . 1 1 71 71 ASN HD22 H 1 8.741 0.000 . . . . . . 71 ASN HD22 . 6944 1 675 . 1 1 71 71 ASN C C 13 173.000 0.000 . . . . . . 71 ASN C . 6944 1 676 . 1 1 71 71 ASN CA C 13 52.620 0.000 . . . . . . 71 ASN CA . 6944 1 677 . 1 1 71 71 ASN CB C 13 39.412 0.000 . . . . . . 71 ASN CB . 6944 1 678 . 1 1 71 71 ASN N N 15 113.151 0.000 . . . . . . 71 ASN N . 6944 1 679 . 1 1 71 71 ASN ND2 N 15 117.759 0.000 . . . . . . 71 ASN ND2 . 6944 1 680 . 1 1 72 72 ASP H H 1 7.866 0.000 . . . . . . 72 ASP H . 6944 1 681 . 1 1 72 72 ASP HA H 1 4.399 0.011 . . . . . . 72 ASP HA . 6944 1 682 . 1 1 72 72 ASP HB2 H 1 2.801 0.002 . . . . . . 72 ASP HB2 . 6944 1 683 . 1 1 72 72 ASP HB3 H 1 3.238 0.003 . . . . . . 72 ASP HB3 . 6944 1 684 . 1 1 72 72 ASP C C 13 174.417 0.000 . . . . . . 72 ASP C . 6944 1 685 . 1 1 72 72 ASP CA C 13 55.869 0.000 . . . . . . 72 ASP CA . 6944 1 686 . 1 1 72 72 ASP CB C 13 39.707 0.000 . . . . . . 72 ASP CB . 6944 1 687 . 1 1 72 72 ASP N N 15 118.399 0.000 . . . . . . 72 ASP N . 6944 1 688 . 1 1 73 73 ARG H H 1 7.732 0.000 . . . . . . 73 ARG H . 6944 1 689 . 1 1 73 73 ARG HA H 1 4.697 0.000 . . . . . . 73 ARG HA . 6944 1 690 . 1 1 73 73 ARG HB2 H 1 1.599 0.003 . . . . . . 73 ARG HB2 . 6944 1 691 . 1 1 73 73 ARG HB3 H 1 1.599 0.000 . . . . . . 73 ARG HB3 . 6944 1 692 . 1 1 73 73 ARG HG2 H 1 1.594 0.004 . . . . . . 73 ARG HG2 . 6944 1 693 . 1 1 73 73 ARG HG3 H 1 1.594 0.000 . . . . . . 73 ARG HG3 . 6944 1 694 . 1 1 73 73 ARG HD2 H 1 2.500 0.000 . . . . . . 73 ARG HD2 . 6944 1 695 . 1 1 73 73 ARG HD3 H 1 2.845 0.008 . . . . . . 73 ARG HD3 . 6944 1 696 . 1 1 73 73 ARG C C 13 173.187 0.000 . . . . . . 73 ARG C . 6944 1 697 . 1 1 73 73 ARG CA C 13 54.902 0.000 . . . . . . 73 ARG CA . 6944 1 698 . 1 1 73 73 ARG CB C 13 33.216 0.000 . . . . . . 73 ARG CB . 6944 1 699 . 1 1 73 73 ARG CG C 13 27.020 0.000 . . . . . . 73 ARG CG . 6944 1 700 . 1 1 73 73 ARG CD C 13 40.888 0.000 . . . . . . 73 ARG CD . 6944 1 701 . 1 1 73 73 ARG N N 15 117.478 0.000 . . . . . . 73 ARG N . 6944 1 702 . 1 1 74 74 TYR H H 1 8.803 0.000 . . . . . . 74 TYR H . 6944 1 703 . 1 1 74 74 TYR HA H 1 4.655 0.000 . . . . . . 74 TYR HA . 6944 1 704 . 1 1 74 74 TYR HB2 H 1 2.784 0.005 . . . . . . 74 TYR HB2 . 6944 1 705 . 1 1 74 74 TYR HB3 H 1 3.408 0.007 . . . . . . 74 TYR HB3 . 6944 1 706 . 1 1 74 74 TYR HD1 H 1 7.089 0.000 . . . . . . 74 TYR HD1 . 6944 1 707 . 1 1 74 74 TYR HD2 H 1 7.089 0.000 . . . . . . 74 TYR HD2 . 6944 1 708 . 1 1 74 74 TYR HE1 H 1 6.413 0.006 . . . . . . 74 TYR HE1 . 6944 1 709 . 1 1 74 74 TYR HE2 H 1 6.413 0.000 . . . . . . 74 TYR HE2 . 6944 1 710 . 1 1 74 74 TYR C C 13 173.829 0.000 . . . . . . 74 TYR C . 6944 1 711 . 1 1 74 74 TYR CA C 13 59.323 0.000 . . . . . . 74 TYR CA . 6944 1 712 . 1 1 74 74 TYR CB C 13 38.822 0.000 . . . . . . 74 TYR CB . 6944 1 713 . 1 1 74 74 TYR CD1 C 13 133.926 0.000 . . . . . . 74 TYR CD1 . 6944 1 714 . 1 1 74 74 TYR CD2 C 13 133.926 0.000 . . . . . . 74 TYR CD2 . 6944 1 715 . 1 1 74 74 TYR CE1 C 13 117.470 0.000 . . . . . . 74 TYR CE1 . 6944 1 716 . 1 1 74 74 TYR CE2 C 13 117.470 0.000 . . . . . . 74 TYR CE2 . 6944 1 717 . 1 1 74 74 TYR N N 15 125.726 0.000 . . . . . . 74 TYR N . 6944 1 718 . 1 1 75 75 ILE H H 1 8.558 0.000 . . . . . . 75 ILE H . 6944 1 719 . 1 1 75 75 ILE HA H 1 5.129 0.003 . . . . . . 75 ILE HA . 6944 1 720 . 1 1 75 75 ILE HB H 1 1.743 0.003 . . . . . . 75 ILE HB . 6944 1 721 . 1 1 75 75 ILE HG12 H 1 0.954 0.004 . . . . . . 75 ILE HG12 . 6944 1 722 . 1 1 75 75 ILE HG13 H 1 1.437 0.002 . . . . . . 75 ILE HG13 . 6944 1 723 . 1 1 75 75 ILE HG21 H 1 0.794 0.002 . . . . . . 75 ILE HG21 . 6944 1 724 . 1 1 75 75 ILE HG22 H 1 0.794 0.002 . . . . . . 75 ILE HG22 . 6944 1 725 . 1 1 75 75 ILE HG23 H 1 0.794 0.002 . . . . . . 75 ILE HG23 . 6944 1 726 . 1 1 75 75 ILE HD11 H 1 0.736 0.001 . . . . . . 75 ILE HD11 . 6944 1 727 . 1 1 75 75 ILE HD12 H 1 0.736 0.001 . . . . . . 75 ILE HD12 . 6944 1 728 . 1 1 75 75 ILE HD13 H 1 0.736 0.001 . . . . . . 75 ILE HD13 . 6944 1 729 . 1 1 75 75 ILE C C 13 174.721 0.000 . . . . . . 75 ILE C . 6944 1 730 . 1 1 75 75 ILE CA C 13 60.295 0.000 . . . . . . 75 ILE CA . 6944 1 731 . 1 1 75 75 ILE CB C 13 42.953 0.000 . . . . . . 75 ILE CB . 6944 1 732 . 1 1 75 75 ILE CG1 C 13 28.790 0.000 . . . . . . 75 ILE CG1 . 6944 1 733 . 1 1 75 75 ILE CG2 C 13 18.758 0.000 . . . . . . 75 ILE CG2 . 6944 1 734 . 1 1 75 75 ILE CD1 C 13 14.037 0.000 . . . . . . 75 ILE CD1 . 6944 1 735 . 1 1 75 75 ILE N N 15 123.965 0.000 . . . . . . 75 ILE N . 6944 1 736 . 1 1 76 76 VAL H H 1 9.065 0.000 . . . . . . 76 VAL H . 6944 1 737 . 1 1 76 76 VAL HA H 1 4.485 0.003 . . . . . . 76 VAL HA . 6944 1 738 . 1 1 76 76 VAL HB H 1 1.815 0.002 . . . . . . 76 VAL HB . 6944 1 739 . 1 1 76 76 VAL HG11 H 1 0.789 0.005 . . . . . . 76 VAL HG11 . 6944 1 740 . 1 1 76 76 VAL HG12 H 1 0.789 0.005 . . . . . . 76 VAL HG12 . 6944 1 741 . 1 1 76 76 VAL HG13 H 1 0.789 0.005 . . . . . . 76 VAL HG13 . 6944 1 742 . 1 1 76 76 VAL HG21 H 1 0.993 0.003 . . . . . . 76 VAL HG21 . 6944 1 743 . 1 1 76 76 VAL HG22 H 1 0.993 0.003 . . . . . . 76 VAL HG22 . 6944 1 744 . 1 1 76 76 VAL HG23 H 1 0.993 0.003 . . . . . . 76 VAL HG23 . 6944 1 745 . 1 1 76 76 VAL C C 13 174.435 0.000 . . . . . . 76 VAL C . 6944 1 746 . 1 1 76 76 VAL CA C 13 60.295 0.000 . . . . . . 76 VAL CA . 6944 1 747 . 1 1 76 76 VAL CB C 13 34.691 0.000 . . . . . . 76 VAL CB . 6944 1 748 . 1 1 76 76 VAL CG1 C 13 21.119 0.000 . . . . . . 76 VAL CG1 . 6944 1 749 . 1 1 76 76 VAL CG2 C 13 21.414 0.000 . . . . . . 76 VAL CG2 . 6944 1 750 . 1 1 76 76 VAL N N 15 125.150 0.000 . . . . . . 76 VAL N . 6944 1 751 . 1 1 77 77 ASN H H 1 8.849 0.000 . . . . . . 77 ASN H . 6944 1 752 . 1 1 77 77 ASN HA H 1 4.523 0.004 . . . . . . 77 ASN HA . 6944 1 753 . 1 1 77 77 ASN HB2 H 1 2.934 0.003 . . . . . . 77 ASN HB2 . 6944 1 754 . 1 1 77 77 ASN HB3 H 1 2.934 0.000 . . . . . . 77 ASN HB3 . 6944 1 755 . 1 1 77 77 ASN HD21 H 1 6.696 0.000 . . . . . . 77 ASN HD21 . 6944 1 756 . 1 1 77 77 ASN HD22 H 1 7.330 0.000 . . . . . . 77 ASN HD22 . 6944 1 757 . 1 1 77 77 ASN C C 13 175.684 0.000 . . . . . . 77 ASN C . 6944 1 758 . 1 1 77 77 ASN CA C 13 55.896 0.000 . . . . . . 77 ASN CA . 6944 1 759 . 1 1 77 77 ASN CB C 13 38.527 0.000 . . . . . . 77 ASN CB . 6944 1 760 . 1 1 77 77 ASN N N 15 127.933 0.000 . . . . . . 77 ASN N . 6944 1 761 . 1 1 77 77 ASN ND2 N 15 108.315 0.000 . . . . . . 77 ASN ND2 . 6944 1 762 . 1 1 78 78 GLY H H 1 8.178 0.000 . . . . . . 78 GLY H . 6944 1 763 . 1 1 78 78 GLY HA2 H 1 3.399 0.002 . . . . . . 78 GLY HA1 . 6944 1 764 . 1 1 78 78 GLY HA3 H 1 4.305 0.007 . . . . . . 78 GLY HA2 . 6944 1 765 . 1 1 78 78 GLY C C 13 171.635 0.000 . . . . . . 78 GLY C . 6944 1 766 . 1 1 78 78 GLY CA C 13 43.838 0.000 . . . . . . 78 GLY CA . 6944 1 767 . 1 1 78 78 GLY N N 15 108.692 0.000 . . . . . . 78 GLY N . 6944 1 768 . 1 1 79 79 SER H H 1 7.889 0.000 . . . . . . 79 SER H . 6944 1 769 . 1 1 79 79 SER HA H 1 4.047 0.001 . . . . . . 79 SER HA . 6944 1 770 . 1 1 79 79 SER HB2 H 1 3.363 0.002 . . . . . . 79 SER HB2 . 6944 1 771 . 1 1 79 79 SER HB3 H 1 3.631 0.001 . . . . . . 79 SER HB3 . 6944 1 772 . 1 1 79 79 SER C C 13 172.670 0.000 . . . . . . 79 SER C . 6944 1 773 . 1 1 79 79 SER CA C 13 55.869 0.000 . . . . . . 79 SER CA . 6944 1 774 . 1 1 79 79 SER CB C 13 63.245 0.000 . . . . . . 79 SER CB . 6944 1 775 . 1 1 79 79 SER N N 15 112.613 0.000 . . . . . . 79 SER N . 6944 1 776 . 1 1 80 80 HIS H H 1 7.920 0.000 . . . . . . 80 HIS H . 6944 1 777 . 1 1 80 80 HIS HA H 1 4.809 0.000 . . . . . . 80 HIS HA . 6944 1 778 . 1 1 80 80 HIS HB2 H 1 2.543 0.005 . . . . . . 80 HIS HB2 . 6944 1 779 . 1 1 80 80 HIS HB3 H 1 2.543 0.000 . . . . . . 80 HIS HB3 . 6944 1 780 . 1 1 80 80 HIS HD2 H 1 6.367 0.000 . . . . . . 80 HIS HD2 . 6944 1 781 . 1 1 80 80 HIS C C 13 173.668 0.000 . . . . . . 80 HIS C . 6944 1 782 . 1 1 80 80 HIS CA C 13 54.381 0.000 . . . . . . 80 HIS CA . 6944 1 783 . 1 1 80 80 HIS CB C 13 33.216 0.000 . . . . . . 80 HIS CB . 6944 1 784 . 1 1 80 80 HIS CD2 C 13 116.945 0.000 . . . . . . 80 HIS CD2 . 6944 1 785 . 1 1 80 80 HIS N N 15 126.338 0.000 . . . . . . 80 HIS N . 6944 1 786 . 1 1 81 81 GLU H H 1 8.726 0.000 . . . . . . 81 GLU H . 6944 1 787 . 1 1 81 81 GLU HA H 1 4.223 0.003 . . . . . . 81 GLU HA . 6944 1 788 . 1 1 81 81 GLU HB2 H 1 1.983 0.002 . . . . . . 81 GLU HB2 . 6944 1 789 . 1 1 81 81 GLU HB3 H 1 2.319 0.005 . . . . . . 81 GLU HB3 . 6944 1 790 . 1 1 81 81 GLU HG2 H 1 2.414 0.006 . . . . . . 81 GLU HG2 . 6944 1 791 . 1 1 81 81 GLU HG3 H 1 2.474 0.005 . . . . . . 81 GLU HG3 . 6944 1 792 . 1 1 81 81 GLU C C 13 177.610 0.000 . . . . . . 81 GLU C . 6944 1 793 . 1 1 81 81 GLU CA C 13 56.459 0.000 . . . . . . 81 GLU CA . 6944 1 794 . 1 1 81 81 GLU CB C 13 30.561 0.000 . . . . . . 81 GLU CB . 6944 1 795 . 1 1 81 81 GLU CG C 13 36.757 0.000 . . . . . . 81 GLU CG . 6944 1 796 . 1 1 81 81 GLU N N 15 121.990 0.000 . . . . . . 81 GLU N . 6944 1 797 . 1 1 82 82 ALA H H 1 9.004 0.000 . . . . . . 82 ALA H . 6944 1 798 . 1 1 82 82 ALA HA H 1 3.714 0.003 . . . . . . 82 ALA HA . 6944 1 799 . 1 1 82 82 ALA HB1 H 1 1.582 0.004 . . . . . . 82 ALA HB1 . 6944 1 800 . 1 1 82 82 ALA HB2 H 1 1.582 0.004 . . . . . . 82 ALA HB2 . 6944 1 801 . 1 1 82 82 ALA HB3 H 1 1.582 0.004 . . . . . . 82 ALA HB3 . 6944 1 802 . 1 1 82 82 ALA C C 13 178.912 0.000 . . . . . . 82 ALA C . 6944 1 803 . 1 1 82 82 ALA CA C 13 56.459 0.000 . . . . . . 82 ALA CA . 6944 1 804 . 1 1 82 82 ALA CB C 13 18.168 0.000 . . . . . . 82 ALA CB . 6944 1 805 . 1 1 82 82 ALA N N 15 125.325 0.000 . . . . . . 82 ALA N . 6944 1 806 . 1 1 83 83 ASN H H 1 8.911 0.000 . . . . . . 83 ASN H . 6944 1 807 . 1 1 83 83 ASN HA H 1 4.418 0.002 . . . . . . 83 ASN HA . 6944 1 808 . 1 1 83 83 ASN HB2 H 1 2.898 0.007 . . . . . . 83 ASN HB2 . 6944 1 809 . 1 1 83 83 ASN HB3 H 1 2.898 0.000 . . . . . . 83 ASN HB3 . 6944 1 810 . 1 1 83 83 ASN C C 13 176.896 0.000 . . . . . . 83 ASN C . 6944 1 811 . 1 1 83 83 ASN CA C 13 56.754 0.000 . . . . . . 83 ASN CA . 6944 1 812 . 1 1 83 83 ASN CB C 13 37.347 0.000 . . . . . . 83 ASN CB . 6944 1 813 . 1 1 83 83 ASN N N 15 113.462 0.000 . . . . . . 83 ASN N . 6944 1 814 . 1 1 84 84 LYS H H 1 6.981 0.000 . . . . . . 84 LYS H . 6944 1 815 . 1 1 84 84 LYS HA H 1 4.283 0.007 . . . . . . 84 LYS HA . 6944 1 816 . 1 1 84 84 LYS HB2 H 1 2.025 0.004 . . . . . . 84 LYS HB2 . 6944 1 817 . 1 1 84 84 LYS HB3 H 1 2.083 0.005 . . . . . . 84 LYS HB3 . 6944 1 818 . 1 1 84 84 LYS HG2 H 1 1.353 0.007 . . . . . . 84 LYS HG2 . 6944 1 819 . 1 1 84 84 LYS HG3 H 1 1.697 0.010 . . . . . . 84 LYS HG3 . 6944 1 820 . 1 1 84 84 LYS HD2 H 1 1.553 0.000 . . . . . . 84 LYS HD2 . 6944 1 821 . 1 1 84 84 LYS HD3 H 1 1.553 0.000 . . . . . . 84 LYS HD3 . 6944 1 822 . 1 1 84 84 LYS HE2 H 1 3.040 0.000 . . . . . . 84 LYS HE2 . 6944 1 823 . 1 1 84 84 LYS HE3 H 1 3.040 0.000 . . . . . . 84 LYS HE3 . 6944 1 824 . 1 1 84 84 LYS C C 13 179.429 0.000 . . . . . . 84 LYS C . 6944 1 825 . 1 1 84 84 LYS CA C 13 58.820 0.000 . . . . . . 84 LYS CA . 6944 1 826 . 1 1 84 84 LYS CB C 13 32.036 0.000 . . . . . . 84 LYS CB . 6944 1 827 . 1 1 84 84 LYS CG C 13 24.659 0.000 . . . . . . 84 LYS CG . 6944 1 828 . 1 1 84 84 LYS CD C 13 29.085 0.000 . . . . . . 84 LYS CD . 6944 1 829 . 1 1 84 84 LYS N N 15 120.583 0.000 . . . . . . 84 LYS N . 6944 1 830 . 1 1 85 85 LEU H H 1 7.641 0.000 . . . . . . 85 LEU H . 6944 1 831 . 1 1 85 85 LEU HA H 1 3.647 0.005 . . . . . . 85 LEU HA . 6944 1 832 . 1 1 85 85 LEU HB2 H 1 0.628 0.002 . . . . . . 85 LEU HB2 . 6944 1 833 . 1 1 85 85 LEU HB3 H 1 1.698 0.005 . . . . . . 85 LEU HB3 . 6944 1 834 . 1 1 85 85 LEU HG H 1 1.434 0.003 . . . . . . 85 LEU HG . 6944 1 835 . 1 1 85 85 LEU HD11 H 1 -0.111 0.002 . . . . . . 85 LEU HD11 . 6944 1 836 . 1 1 85 85 LEU HD12 H 1 -0.111 0.002 . . . . . . 85 LEU HD12 . 6944 1 837 . 1 1 85 85 LEU HD13 H 1 -0.111 0.002 . . . . . . 85 LEU HD13 . 6944 1 838 . 1 1 85 85 LEU HD21 H 1 0.433 0.003 . . . . . . 85 LEU HD21 . 6944 1 839 . 1 1 85 85 LEU HD22 H 1 0.433 0.003 . . . . . . 85 LEU HD22 . 6944 1 840 . 1 1 85 85 LEU HD23 H 1 0.433 0.003 . . . . . . 85 LEU HD23 . 6944 1 841 . 1 1 85 85 LEU C C 13 178.056 0.000 . . . . . . 85 LEU C . 6944 1 842 . 1 1 85 85 LEU CA C 13 57.270 0.000 . . . . . . 85 LEU CA . 6944 1 843 . 1 1 85 85 LEU CB C 13 40.888 0.000 . . . . . . 85 LEU CB . 6944 1 844 . 1 1 85 85 LEU CG C 13 25.545 0.000 . . . . . . 85 LEU CG . 6944 1 845 . 1 1 85 85 LEU CD1 C 13 20.528 0.000 . . . . . . 85 LEU CD1 . 6944 1 846 . 1 1 85 85 LEU CD2 C 13 25.840 0.000 . . . . . . 85 LEU CD2 . 6944 1 847 . 1 1 85 85 LEU N N 15 118.540 0.000 . . . . . . 85 LEU N . 6944 1 848 . 1 1 86 86 GLN H H 1 9.116 0.000 . . . . . . 86 GLN H . 6944 1 849 . 1 1 86 86 GLN C C 13 178.929 0.000 . . . . . . 86 GLN C . 6944 1 850 . 1 1 86 86 GLN CA C 13 58.755 0.000 . . . . . . 86 GLN CA . 6944 1 851 . 1 1 86 86 GLN CB C 13 29.667 0.000 . . . . . . 86 GLN CB . 6944 1 852 . 1 1 86 86 GLN N N 15 121.638 0.000 . . . . . . 86 GLN N . 6944 1 853 . 1 1 87 87 ASP H H 1 7.968 0.000 . . . . . . 87 ASP H . 6944 1 854 . 1 1 87 87 ASP C C 13 179.821 0.000 . . . . . . 87 ASP C . 6944 1 855 . 1 1 87 87 ASP CA C 13 57.428 0.000 . . . . . . 87 ASP CA . 6944 1 856 . 1 1 87 87 ASP N N 15 120.466 0.000 . . . . . . 87 ASP N . 6944 1 857 . 1 1 88 88 MET H H 1 8.216 0.000 . . . . . . 88 MET H . 6944 1 858 . 1 1 88 88 MET HA H 1 4.537 0.002 . . . . . . 88 MET HA . 6944 1 859 . 1 1 88 88 MET HB2 H 1 2.398 0.007 . . . . . . 88 MET HB2 . 6944 1 860 . 1 1 88 88 MET HB3 H 1 2.542 0.002 . . . . . . 88 MET HB3 . 6944 1 861 . 1 1 88 88 MET HG2 H 1 2.809 0.001 . . . . . . 88 MET HG2 . 6944 1 862 . 1 1 88 88 MET HG3 H 1 3.029 0.001 . . . . . . 88 MET HG3 . 6944 1 863 . 1 1 88 88 MET HE1 H 1 2.096 0.004 . . . . . . 88 MET HE1 . 6944 1 864 . 1 1 88 88 MET HE2 H 1 2.096 0.004 . . . . . . 88 MET HE2 . 6944 1 865 . 1 1 88 88 MET HE3 H 1 2.096 0.004 . . . . . . 88 MET HE3 . 6944 1 866 . 1 1 88 88 MET C C 13 179.322 0.000 . . . . . . 88 MET C . 6944 1 867 . 1 1 88 88 MET CA C 13 59.410 0.000 . . . . . . 88 MET CA . 6944 1 868 . 1 1 88 88 MET CB C 13 34.396 0.000 . . . . . . 88 MET CB . 6944 1 869 . 1 1 88 88 MET CG C 13 33.216 0.000 . . . . . . 88 MET CG . 6944 1 870 . 1 1 88 88 MET CE C 13 18.168 0.000 . . . . . . 88 MET CE . 6944 1 871 . 1 1 88 88 MET N N 15 120.301 0.000 . . . . . . 88 MET N . 6944 1 872 . 1 1 89 89 LEU H H 1 9.137 0.000 . . . . . . 89 LEU H . 6944 1 873 . 1 1 89 89 LEU HA H 1 4.154 0.001 . . . . . . 89 LEU HA . 6944 1 874 . 1 1 89 89 LEU HD11 H 1 0.712 0.003 . . . . . . 89 LEU HD11 . 6944 1 875 . 1 1 89 89 LEU HD12 H 1 0.712 0.003 . . . . . . 89 LEU HD12 . 6944 1 876 . 1 1 89 89 LEU HD13 H 1 0.712 0.003 . . . . . . 89 LEU HD13 . 6944 1 877 . 1 1 89 89 LEU HD21 H 1 1.007 0.002 . . . . . . 89 LEU HD21 . 6944 1 878 . 1 1 89 89 LEU HD22 H 1 1.007 0.002 . . . . . . 89 LEU HD22 . 6944 1 879 . 1 1 89 89 LEU HD23 H 1 1.007 0.002 . . . . . . 89 LEU HD23 . 6944 1 880 . 1 1 89 89 LEU C C 13 177.913 0.000 . . . . . . 89 LEU C . 6944 1 881 . 1 1 89 89 LEU CA C 13 57.334 0.000 . . . . . . 89 LEU CA . 6944 1 882 . 1 1 89 89 LEU CD1 C 13 23.479 0.000 . . . . . . 89 LEU CD1 . 6944 1 883 . 1 1 89 89 LEU CD2 C 13 27.020 0.000 . . . . . . 89 LEU CD2 . 6944 1 884 . 1 1 89 89 LEU N N 15 122.391 0.000 . . . . . . 89 LEU N . 6944 1 885 . 1 1 90 90 ASP H H 1 7.596 0.000 . . . . . . 90 ASP H . 6944 1 886 . 1 1 90 90 ASP HA H 1 4.596 0.004 . . . . . . 90 ASP HA . 6944 1 887 . 1 1 90 90 ASP HB2 H 1 2.851 0.003 . . . . . . 90 ASP HB2 . 6944 1 888 . 1 1 90 90 ASP HB3 H 1 3.110 0.001 . . . . . . 90 ASP HB3 . 6944 1 889 . 1 1 90 90 ASP C C 13 178.751 0.000 . . . . . . 90 ASP C . 6944 1 890 . 1 1 90 90 ASP CA C 13 58.820 0.000 . . . . . . 90 ASP CA . 6944 1 891 . 1 1 90 90 ASP CB C 13 40.003 0.000 . . . . . . 90 ASP CB . 6944 1 892 . 1 1 90 90 ASP N N 15 118.164 0.000 . . . . . . 90 ASP N . 6944 1 893 . 1 1 91 91 GLY H H 1 7.868 0.000 . . . . . . 91 GLY H . 6944 1 894 . 1 1 91 91 GLY C C 13 175.666 0.000 . . . . . . 91 GLY C . 6944 1 895 . 1 1 91 91 GLY CA C 13 47.102 0.000 . . . . . . 91 GLY CA . 6944 1 896 . 1 1 91 91 GLY N N 15 108.991 0.000 . . . . . . 91 GLY N . 6944 1 897 . 1 1 92 92 PHE H H 1 7.096 0.000 . . . . . . 92 PHE H . 6944 1 898 . 1 1 92 92 PHE HA H 1 3.428 0.001 . . . . . . 92 PHE HA . 6944 1 899 . 1 1 92 92 PHE C C 13 176.450 0.000 . . . . . . 92 PHE C . 6944 1 900 . 1 1 92 92 PHE CA C 13 61.771 0.000 . . . . . . 92 PHE CA . 6944 1 901 . 1 1 92 92 PHE CB C 13 41.183 0.000 . . . . . . 92 PHE CB . 6944 1 902 . 1 1 92 92 PHE N N 15 122.415 0.000 . . . . . . 92 PHE N . 6944 1 903 . 1 1 93 93 ILE H H 1 8.795 0.000 . . . . . . 93 ILE H . 6944 1 904 . 1 1 93 93 ILE CA C 13 64.691 0.000 . . . . . . 93 ILE CA . 6944 1 905 . 1 1 93 93 ILE N N 15 120.710 0.000 . . . . . . 93 ILE N . 6944 1 906 . 1 1 94 94 LYS H H 1 8.445 0.000 . . . . . . 94 LYS H . 6944 1 907 . 1 1 94 94 LYS HA H 1 3.735 0.002 . . . . . . 94 LYS HA . 6944 1 908 . 1 1 94 94 LYS HB2 H 1 1.924 0.004 . . . . . . 94 LYS HB2 . 6944 1 909 . 1 1 94 94 LYS HB3 H 1 1.924 0.000 . . . . . . 94 LYS HB3 . 6944 1 910 . 1 1 94 94 LYS HG2 H 1 1.477 0.002 . . . . . . 94 LYS HG2 . 6944 1 911 . 1 1 94 94 LYS HG3 H 1 1.477 0.000 . . . . . . 94 LYS HG3 . 6944 1 912 . 1 1 94 94 LYS HD2 H 1 1.642 0.006 . . . . . . 94 LYS HD2 . 6944 1 913 . 1 1 94 94 LYS HD3 H 1 1.688 0.009 . . . . . . 94 LYS HD3 . 6944 1 914 . 1 1 94 94 LYS C C 13 176.379 0.000 . . . . . . 94 LYS C . 6944 1 915 . 1 1 94 94 LYS CA C 13 60.000 0.000 . . . . . . 94 LYS CA . 6944 1 916 . 1 1 94 94 LYS CB C 13 32.626 0.000 . . . . . . 94 LYS CB . 6944 1 917 . 1 1 94 94 LYS CG C 13 25.249 0.000 . . . . . . 94 LYS CG . 6944 1 918 . 1 1 94 94 LYS CD C 13 29.085 0.000 . . . . . . 94 LYS CD . 6944 1 919 . 1 1 94 94 LYS N N 15 121.971 0.000 . . . . . . 94 LYS N . 6944 1 920 . 1 1 95 95 LYS H H 1 7.317 0.000 . . . . . . 95 LYS H . 6944 1 921 . 1 1 95 95 LYS HA H 1 3.932 0.000 . . . . . . 95 LYS HA . 6944 1 922 . 1 1 95 95 LYS HB2 H 1 0.821 0.000 . . . . . . 95 LYS HB2 . 6944 1 923 . 1 1 95 95 LYS HB3 H 1 1.328 0.004 . . . . . . 95 LYS HB3 . 6944 1 924 . 1 1 95 95 LYS HG2 H 1 0.976 0.002 . . . . . . 95 LYS HG2 . 6944 1 925 . 1 1 95 95 LYS HG3 H 1 1.319 0.007 . . . . . . 95 LYS HG3 . 6944 1 926 . 1 1 95 95 LYS HE2 H 1 3.040 0.000 . . . . . . 95 LYS HE2 . 6944 1 927 . 1 1 95 95 LYS HE3 H 1 3.040 0.000 . . . . . . 95 LYS HE3 . 6944 1 928 . 1 1 95 95 LYS C C 13 178.180 0.000 . . . . . . 95 LYS C . 6944 1 929 . 1 1 95 95 LYS CA C 13 58.524 0.000 . . . . . . 95 LYS CA . 6944 1 930 . 1 1 95 95 LYS CB C 13 34.691 0.000 . . . . . . 95 LYS CB . 6944 1 931 . 1 1 95 95 LYS CG C 13 25.249 0.000 . . . . . . 95 LYS CG . 6944 1 932 . 1 1 95 95 LYS N N 15 113.429 0.000 . . . . . . 95 LYS N . 6944 1 933 . 1 1 96 96 PHE H H 1 8.097 0.000 . . . . . . 96 PHE H . 6944 1 934 . 1 1 96 96 PHE HA H 1 4.428 0.008 . . . . . . 96 PHE HA . 6944 1 935 . 1 1 96 96 PHE HB2 H 1 2.711 0.009 . . . . . . 96 PHE HB2 . 6944 1 936 . 1 1 96 96 PHE HB3 H 1 2.711 0.000 . . . . . . 96 PHE HB3 . 6944 1 937 . 1 1 96 96 PHE HD1 H 1 6.819 0.001 . . . . . . 96 PHE HD1 . 6944 1 938 . 1 1 96 96 PHE HD2 H 1 6.819 0.000 . . . . . . 96 PHE HD2 . 6944 1 939 . 1 1 96 96 PHE HE1 H 1 6.952 0.000 . . . . . . 96 PHE HE1 . 6944 1 940 . 1 1 96 96 PHE HE2 H 1 6.952 0.000 . . . . . . 96 PHE HE2 . 6944 1 941 . 1 1 96 96 PHE HZ H 1 6.660 0.000 . . . . . . 96 PHE HZ . 6944 1 942 . 1 1 96 96 PHE C C 13 175.131 0.000 . . . . . . 96 PHE C . 6944 1 943 . 1 1 96 96 PHE CA C 13 58.525 0.000 . . . . . . 96 PHE CA . 6944 1 944 . 1 1 96 96 PHE CB C 13 40.298 0.000 . . . . . . 96 PHE CB . 6944 1 945 . 1 1 96 96 PHE CD1 C 13 133.041 0.000 . . . . . . 96 PHE CD1 . 6944 1 946 . 1 1 96 96 PHE CD2 C 13 133.041 0.000 . . . . . . 96 PHE CD2 . 6944 1 947 . 1 1 96 96 PHE CE1 C 13 131.566 0.000 . . . . . . 96 PHE CE1 . 6944 1 948 . 1 1 96 96 PHE CE2 C 13 131.566 0.000 . . . . . . 96 PHE CE2 . 6944 1 949 . 1 1 96 96 PHE CZ C 13 130.591 0.000 . . . . . . 96 PHE CZ . 6944 1 950 . 1 1 96 96 PHE N N 15 110.663 0.000 . . . . . . 96 PHE N . 6944 1 951 . 1 1 97 97 VAL H H 1 7.494 0.000 . . . . . . 97 VAL H . 6944 1 952 . 1 1 97 97 VAL HA H 1 4.015 0.004 . . . . . . 97 VAL HA . 6944 1 953 . 1 1 97 97 VAL HB H 1 2.410 0.001 . . . . . . 97 VAL HB . 6944 1 954 . 1 1 97 97 VAL HG11 H 1 1.063 0.000 . . . . . . 97 VAL HG11 . 6944 1 955 . 1 1 97 97 VAL HG12 H 1 1.063 0.000 . . . . . . 97 VAL HG12 . 6944 1 956 . 1 1 97 97 VAL HG13 H 1 1.063 0.000 . . . . . . 97 VAL HG13 . 6944 1 957 . 1 1 97 97 VAL HG21 H 1 0.757 0.001 . . . . . . 97 VAL HG21 . 6944 1 958 . 1 1 97 97 VAL HG22 H 1 0.757 0.001 . . . . . . 97 VAL HG22 . 6944 1 959 . 1 1 97 97 VAL HG23 H 1 0.757 0.001 . . . . . . 97 VAL HG23 . 6944 1 960 . 1 1 97 97 VAL C C 13 173.900 0.000 . . . . . . 97 VAL C . 6944 1 961 . 1 1 97 97 VAL CA C 13 65.016 0.000 . . . . . . 97 VAL CA . 6944 1 962 . 1 1 97 97 VAL CB C 13 34.101 0.000 . . . . . . 97 VAL CB . 6944 1 963 . 1 1 97 97 VAL CG1 C 13 21.709 0.000 . . . . . . 97 VAL CG1 . 6944 1 964 . 1 1 97 97 VAL CG2 C 13 23.184 0.000 . . . . . . 97 VAL CG2 . 6944 1 965 . 1 1 97 97 VAL N N 15 119.479 0.000 . . . . . . 97 VAL N . 6944 1 966 . 1 1 98 98 LEU H H 1 8.054 0.000 . . . . . . 98 LEU H . 6944 1 967 . 1 1 98 98 LEU HA H 1 3.848 0.007 . . . . . . 98 LEU HA . 6944 1 968 . 1 1 98 98 LEU HB2 H 1 0.581 0.001 . . . . . . 98 LEU HB2 . 6944 1 969 . 1 1 98 98 LEU HB3 H 1 1.026 0.000 . . . . . . 98 LEU HB3 . 6944 1 970 . 1 1 98 98 LEU HD11 H 1 0.571 0.001 . . . . . . 98 LEU HD11 . 6944 1 971 . 1 1 98 98 LEU HD12 H 1 0.571 0.001 . . . . . . 98 LEU HD12 . 6944 1 972 . 1 1 98 98 LEU HD13 H 1 0.571 0.001 . . . . . . 98 LEU HD13 . 6944 1 973 . 1 1 98 98 LEU HD21 H 1 0.919 0.007 . . . . . . 98 LEU HD21 . 6944 1 974 . 1 1 98 98 LEU HD22 H 1 0.919 0.007 . . . . . . 98 LEU HD22 . 6944 1 975 . 1 1 98 98 LEU HD23 H 1 0.919 0.007 . . . . . . 98 LEU HD23 . 6944 1 976 . 1 1 98 98 LEU C C 13 177.057 0.000 . . . . . . 98 LEU C . 6944 1 977 . 1 1 98 98 LEU CA C 13 55.574 0.000 . . . . . . 98 LEU CA . 6944 1 978 . 1 1 98 98 LEU CD1 C 13 20.824 0.000 . . . . . . 98 LEU CD1 . 6944 1 979 . 1 1 98 98 LEU CD2 C 13 16.988 0.000 . . . . . . 98 LEU CD2 . 6944 1 980 . 1 1 98 98 LEU N N 15 115.627 0.000 . . . . . . 98 LEU N . 6944 1 981 . 1 1 99 99 CYS H H 1 8.524 0.000 . . . . . . 99 CYS H . 6944 1 982 . 1 1 99 99 CYS HA H 1 4.562 0.003 . . . . . . 99 CYS HA . 6944 1 983 . 1 1 99 99 CYS HB2 H 1 3.283 0.000 . . . . . . 99 CYS HB2 . 6944 1 984 . 1 1 99 99 CYS HB3 H 1 3.391 0.007 . . . . . . 99 CYS HB3 . 6944 1 985 . 1 1 99 99 CYS CA C 13 57.934 0.000 . . . . . . 99 CYS CA . 6944 1 986 . 1 1 99 99 CYS CB C 13 28.200 0.000 . . . . . . 99 CYS CB . 6944 1 987 . 1 1 99 99 CYS N N 15 127.582 0.000 . . . . . . 99 CYS N . 6944 1 988 . 1 1 100 100 PRO C C 13 176.450 0.000 . . . . . . 100 PRO C . 6944 1 989 . 1 1 100 100 PRO CA C 13 64.107 0.000 . . . . . . 100 PRO CA . 6944 1 990 . 1 1 101 101 GLU H H 1 8.880 0.000 . . . . . . 101 GLU H . 6944 1 991 . 1 1 101 101 GLU HA H 1 4.330 0.002 . . . . . . 101 GLU HA . 6944 1 992 . 1 1 101 101 GLU HB2 H 1 1.672 0.000 . . . . . . 101 GLU HB2 . 6944 1 993 . 1 1 101 101 GLU HB3 H 1 2.004 0.003 . . . . . . 101 GLU HB3 . 6944 1 994 . 1 1 101 101 GLU HG2 H 1 1.945 0.002 . . . . . . 101 GLU HG2 . 6944 1 995 . 1 1 101 101 GLU HG3 H 1 2.048 0.007 . . . . . . 101 GLU HG3 . 6944 1 996 . 1 1 101 101 GLU C C 13 177.182 0.000 . . . . . . 101 GLU C . 6944 1 997 . 1 1 101 101 GLU CA C 13 58.229 0.000 . . . . . . 101 GLU CA . 6944 1 998 . 1 1 101 101 GLU CB C 13 31.151 0.000 . . . . . . 101 GLU CB . 6944 1 999 . 1 1 101 101 GLU CG C 13 36.167 0.000 . . . . . . 101 GLU CG . 6944 1 1000 . 1 1 101 101 GLU N N 15 121.262 0.000 . . . . . . 101 GLU N . 6944 1 1001 . 1 1 102 102 CYS H H 1 9.179 0.000 . . . . . . 102 CYS H . 6944 1 1002 . 1 1 102 102 CYS HA H 1 5.041 0.001 . . . . . . 102 CYS HA . 6944 1 1003 . 1 1 102 102 CYS HB2 H 1 2.622 0.002 . . . . . . 102 CYS HB2 . 6944 1 1004 . 1 1 102 102 CYS HB3 H 1 3.306 0.000 . . . . . . 102 CYS HB3 . 6944 1 1005 . 1 1 102 102 CYS C C 13 176.371 0.000 . . . . . . 102 CYS C . 6944 1 1006 . 1 1 102 102 CYS CA C 13 58.820 0.000 . . . . . . 102 CYS CA . 6944 1 1007 . 1 1 102 102 CYS CB C 13 32.331 0.000 . . . . . . 102 CYS CB . 6944 1 1008 . 1 1 102 102 CYS N N 15 121.613 0.000 . . . . . . 102 CYS N . 6944 1 1009 . 1 1 103 103 GLU H H 1 7.794 0.000 . . . . . . 103 GLU H . 6944 1 1010 . 1 1 103 103 GLU HA H 1 4.080 0.007 . . . . . . 103 GLU HA . 6944 1 1011 . 1 1 103 103 GLU HB2 H 1 2.237 0.006 . . . . . . 103 GLU HB2 . 6944 1 1012 . 1 1 103 103 GLU HB3 H 1 2.413 0.008 . . . . . . 103 GLU HB3 . 6944 1 1013 . 1 1 103 103 GLU HG2 H 1 2.085 0.003 . . . . . . 103 GLU HG2 . 6944 1 1014 . 1 1 103 103 GLU HG3 H 1 2.085 0.000 . . . . . . 103 GLU HG3 . 6944 1 1015 . 1 1 103 103 GLU C C 13 174.114 0.000 . . . . . . 103 GLU C . 6944 1 1016 . 1 1 103 103 GLU CA C 13 59.115 0.000 . . . . . . 103 GLU CA . 6944 1 1017 . 1 1 103 103 GLU CB C 13 27.610 0.000 . . . . . . 103 GLU CB . 6944 1 1018 . 1 1 103 103 GLU CG C 13 37.347 0.000 . . . . . . 103 GLU CG . 6944 1 1019 . 1 1 103 103 GLU N N 15 116.567 0.000 . . . . . . 103 GLU N . 6944 1 1020 . 1 1 104 104 ASN H H 1 9.222 0.000 . . . . . . 104 ASN H . 6944 1 1021 . 1 1 104 104 ASN HB2 H 1 2.500 0.007 . . . . . . 104 ASN HB2 . 6944 1 1022 . 1 1 104 104 ASN HB3 H 1 3.177 0.000 . . . . . . 104 ASN HB3 . 6944 1 1023 . 1 1 104 104 ASN CA C 13 53.718 0.000 . . . . . . 104 ASN CA . 6944 1 1024 . 1 1 104 104 ASN CB C 13 41.773 0.000 . . . . . . 104 ASN CB . 6944 1 1025 . 1 1 104 104 ASN N N 15 125.676 0.000 . . . . . . 104 ASN N . 6944 1 1026 . 1 1 105 105 PRO C C 13 175.791 0.000 . . . . . . 105 PRO C . 6944 1 1027 . 1 1 105 105 PRO CA C 13 63.255 0.000 . . . . . . 105 PRO CA . 6944 1 1028 . 1 1 105 105 PRO CB C 13 31.937 0.000 . . . . . . 105 PRO CB . 6944 1 1029 . 1 1 106 106 GLU H H 1 8.779 0.000 . . . . . . 106 GLU H . 6944 1 1030 . 1 1 106 106 GLU HA H 1 4.467 0.000 . . . . . . 106 GLU HA . 6944 1 1031 . 1 1 106 106 GLU HB2 H 1 2.052 0.000 . . . . . . 106 GLU HB2 . 6944 1 1032 . 1 1 106 106 GLU HB3 H 1 2.168 0.000 . . . . . . 106 GLU HB3 . 6944 1 1033 . 1 1 106 106 GLU HG2 H 1 2.014 0.002 . . . . . . 106 GLU HG2 . 6944 1 1034 . 1 1 106 106 GLU HG3 H 1 2.324 0.002 . . . . . . 106 GLU HG3 . 6944 1 1035 . 1 1 106 106 GLU C C 13 174.400 0.000 . . . . . . 106 GLU C . 6944 1 1036 . 1 1 106 106 GLU CA C 13 56.164 0.000 . . . . . . 106 GLU CA . 6944 1 1037 . 1 1 106 106 GLU CB C 13 28.200 0.000 . . . . . . 106 GLU CB . 6944 1 1038 . 1 1 106 106 GLU CG C 13 37.052 0.000 . . . . . . 106 GLU CG . 6944 1 1039 . 1 1 106 106 GLU N N 15 122.717 0.000 . . . . . . 106 GLU N . 6944 1 1040 . 1 1 107 107 THR H H 1 8.117 0.000 . . . . . . 107 THR H . 6944 1 1041 . 1 1 107 107 THR HA H 1 5.524 0.004 . . . . . . 107 THR HA . 6944 1 1042 . 1 1 107 107 THR HB H 1 4.823 0.000 . . . . . . 107 THR HB . 6944 1 1043 . 1 1 107 107 THR HG21 H 1 1.220 0.001 . . . . . . 107 THR HG21 . 6944 1 1044 . 1 1 107 107 THR HG22 H 1 1.220 0.001 . . . . . . 107 THR HG22 . 6944 1 1045 . 1 1 107 107 THR HG23 H 1 1.220 0.001 . . . . . . 107 THR HG23 . 6944 1 1046 . 1 1 107 107 THR C C 13 175.131 0.000 . . . . . . 107 THR C . 6944 1 1047 . 1 1 107 107 THR CA C 13 58.820 0.000 . . . . . . 107 THR CA . 6944 1 1048 . 1 1 107 107 THR CG2 C 13 20.233 0.000 . . . . . . 107 THR CG2 . 6944 1 1049 . 1 1 107 107 THR N N 15 111.100 0.000 . . . . . . 107 THR N . 6944 1 1050 . 1 1 108 108 ASP H H 1 9.119 0.000 . . . . . . 108 ASP H . 6944 1 1051 . 1 1 108 108 ASP HA H 1 5.220 0.011 . . . . . . 108 ASP HA . 6944 1 1052 . 1 1 108 108 ASP HB2 H 1 2.439 0.003 . . . . . . 108 ASP HB2 . 6944 1 1053 . 1 1 108 108 ASP HB3 H 1 2.439 0.000 . . . . . . 108 ASP HB3 . 6944 1 1054 . 1 1 108 108 ASP C C 13 174.690 0.000 . . . . . . 108 ASP C . 6944 1 1055 . 1 1 108 108 ASP CA C 13 53.213 0.000 . . . . . . 108 ASP CA . 6944 1 1056 . 1 1 108 108 ASP CB C 13 44.724 0.000 . . . . . . 108 ASP CB . 6944 1 1057 . 1 1 108 108 ASP N N 15 123.221 0.000 . . . . . . 108 ASP N . 6944 1 1058 . 1 1 109 109 LEU H H 1 8.620 0.000 . . . . . . 109 LEU H . 6944 1 1059 . 1 1 109 109 LEU HA H 1 5.226 0.003 . . . . . . 109 LEU HA . 6944 1 1060 . 1 1 109 109 LEU HB2 H 1 1.265 0.000 . . . . . . 109 LEU HB2 . 6944 1 1061 . 1 1 109 109 LEU HB3 H 1 1.844 0.004 . . . . . . 109 LEU HB3 . 6944 1 1062 . 1 1 109 109 LEU HG H 1 1.773 0.002 . . . . . . 109 LEU HG . 6944 1 1063 . 1 1 109 109 LEU HD11 H 1 1.006 0.001 . . . . . . 109 LEU HD11 . 6944 1 1064 . 1 1 109 109 LEU HD12 H 1 1.006 0.001 . . . . . . 109 LEU HD12 . 6944 1 1065 . 1 1 109 109 LEU HD13 H 1 1.006 0.001 . . . . . . 109 LEU HD13 . 6944 1 1066 . 1 1 109 109 LEU HD21 H 1 1.132 0.005 . . . . . . 109 LEU HD21 . 6944 1 1067 . 1 1 109 109 LEU HD22 H 1 1.132 0.005 . . . . . . 109 LEU HD22 . 6944 1 1068 . 1 1 109 109 LEU HD23 H 1 1.132 0.005 . . . . . . 109 LEU HD23 . 6944 1 1069 . 1 1 109 109 LEU C C 13 176.219 0.000 . . . . . . 109 LEU C . 6944 1 1070 . 1 1 109 109 LEU CA C 13 53.213 0.000 . . . . . . 109 LEU CA . 6944 1 1071 . 1 1 109 109 LEU CB C 13 44.428 0.000 . . . . . . 109 LEU CB . 6944 1 1072 . 1 1 109 109 LEU CG C 13 27.020 0.000 . . . . . . 109 LEU CG . 6944 1 1073 . 1 1 109 109 LEU CD1 C 13 23.184 0.000 . . . . . . 109 LEU CD1 . 6944 1 1074 . 1 1 109 109 LEU CD2 C 13 25.840 0.000 . . . . . . 109 LEU CD2 . 6944 1 1075 . 1 1 109 109 LEU N N 15 117.952 0.000 . . . . . . 109 LEU N . 6944 1 1076 . 1 1 110 110 HIS H H 1 8.954 0.000 . . . . . . 110 HIS H . 6944 1 1077 . 1 1 110 110 HIS HA H 1 4.984 0.003 . . . . . . 110 HIS HA . 6944 1 1078 . 1 1 110 110 HIS HB2 H 1 2.873 0.006 . . . . . . 110 HIS HB2 . 6944 1 1079 . 1 1 110 110 HIS HB3 H 1 3.068 0.007 . . . . . . 110 HIS HB3 . 6944 1 1080 . 1 1 110 110 HIS C C 13 174.667 0.000 . . . . . . 110 HIS C . 6944 1 1081 . 1 1 110 110 HIS CA C 13 54.394 0.000 . . . . . . 110 HIS CA . 6944 1 1082 . 1 1 110 110 HIS CB C 13 30.561 0.000 . . . . . . 110 HIS CB . 6944 1 1083 . 1 1 110 110 HIS N N 15 121.638 0.000 . . . . . . 110 HIS N . 6944 1 1084 . 1 1 111 111 VAL H H 1 9.543 0.000 . . . . . . 111 VAL H . 6944 1 1085 . 1 1 111 111 VAL HA H 1 4.388 0.000 . . . . . . 111 VAL HA . 6944 1 1086 . 1 1 111 111 VAL HB H 1 2.197 0.003 . . . . . . 111 VAL HB . 6944 1 1087 . 1 1 111 111 VAL HG11 H 1 1.026 0.002 . . . . . . 111 VAL HG11 . 6944 1 1088 . 1 1 111 111 VAL HG12 H 1 1.026 0.002 . . . . . . 111 VAL HG12 . 6944 1 1089 . 1 1 111 111 VAL HG13 H 1 1.026 0.002 . . . . . . 111 VAL HG13 . 6944 1 1090 . 1 1 111 111 VAL C C 13 174.524 0.000 . . . . . . 111 VAL C . 6944 1 1091 . 1 1 111 111 VAL CA C 13 62.939 0.000 . . . . . . 111 VAL CA . 6944 1 1092 . 1 1 111 111 VAL CB C 13 33.216 0.000 . . . . . . 111 VAL CB . 6944 1 1093 . 1 1 111 111 VAL CG1 C 13 22.299 0.000 . . . . . . 111 VAL CG1 . 6944 1 1094 . 1 1 111 111 VAL N N 15 127.906 0.000 . . . . . . 111 VAL N . 6944 1 1095 . 1 1 112 112 ASN H H 1 8.871 0.000 . . . . . . 112 ASN H . 6944 1 1096 . 1 1 112 112 ASN HA H 1 5.413 0.002 . . . . . . 112 ASN HA . 6944 1 1097 . 1 1 112 112 ASN HB2 H 1 2.676 0.003 . . . . . . 112 ASN HB2 . 6944 1 1098 . 1 1 112 112 ASN HB3 H 1 3.439 0.002 . . . . . . 112 ASN HB3 . 6944 1 1099 . 1 1 112 112 ASN CA C 13 49.968 0.000 . . . . . . 112 ASN CA . 6944 1 1100 . 1 1 112 112 ASN CB C 13 39.117 0.000 . . . . . . 112 ASN CB . 6944 1 1101 . 1 1 112 112 ASN N N 15 125.877 0.000 . . . . . . 112 ASN N . 6944 1 1102 . 1 1 113 113 PRO C C 13 178.216 0.000 . . . . . . 113 PRO C . 6944 1 1103 . 1 1 113 113 PRO CA C 13 64.486 0.000 . . . . . . 113 PRO CA . 6944 1 1104 . 1 1 114 114 LYS H H 1 7.973 0.000 . . . . . . 114 LYS H . 6944 1 1105 . 1 1 114 114 LYS HA H 1 4.240 0.002 . . . . . . 114 LYS HA . 6944 1 1106 . 1 1 114 114 LYS HB2 H 1 1.944 0.002 . . . . . . 114 LYS HB2 . 6944 1 1107 . 1 1 114 114 LYS HB3 H 1 1.944 0.000 . . . . . . 114 LYS HB3 . 6944 1 1108 . 1 1 114 114 LYS HG2 H 1 1.526 0.003 . . . . . . 114 LYS HG2 . 6944 1 1109 . 1 1 114 114 LYS HG3 H 1 1.526 0.000 . . . . . . 114 LYS HG3 . 6944 1 1110 . 1 1 114 114 LYS HD2 H 1 1.709 0.006 . . . . . . 114 LYS HD2 . 6944 1 1111 . 1 1 114 114 LYS HD3 H 1 1.709 0.000 . . . . . . 114 LYS HD3 . 6944 1 1112 . 1 1 114 114 LYS C C 13 178.198 0.000 . . . . . . 114 LYS C . 6944 1 1113 . 1 1 114 114 LYS CA C 13 59.112 0.000 . . . . . . 114 LYS CA . 6944 1 1114 . 1 1 114 114 LYS CB C 13 32.331 0.000 . . . . . . 114 LYS CB . 6944 1 1115 . 1 1 114 114 LYS CG C 13 25.249 0.000 . . . . . . 114 LYS CG . 6944 1 1116 . 1 1 114 114 LYS CD C 13 28.790 0.000 . . . . . . 114 LYS CD . 6944 1 1117 . 1 1 114 114 LYS N N 15 117.553 0.000 . . . . . . 114 LYS N . 6944 1 1118 . 1 1 115 115 LYS H H 1 7.245 0.000 . . . . . . 115 LYS H . 6944 1 1119 . 1 1 115 115 LYS HA H 1 4.345 0.003 . . . . . . 115 LYS HA . 6944 1 1120 . 1 1 115 115 LYS HB2 H 1 1.540 0.004 . . . . . . 115 LYS HB2 . 6944 1 1121 . 1 1 115 115 LYS HB3 H 1 2.019 0.011 . . . . . . 115 LYS HB3 . 6944 1 1122 . 1 1 115 115 LYS HG2 H 1 1.406 0.017 . . . . . . 115 LYS HG2 . 6944 1 1123 . 1 1 115 115 LYS HG3 H 1 1.538 0.006 . . . . . . 115 LYS HG3 . 6944 1 1124 . 1 1 115 115 LYS HD2 H 1 1.667 0.001 . . . . . . 115 LYS HD2 . 6944 1 1125 . 1 1 115 115 LYS HD3 H 1 1.667 0.000 . . . . . . 115 LYS HD3 . 6944 1 1126 . 1 1 115 115 LYS C C 13 175.390 0.000 . . . . . . 115 LYS C . 6944 1 1127 . 1 1 115 115 LYS CA C 13 55.574 0.000 . . . . . . 115 LYS CA . 6944 1 1128 . 1 1 115 115 LYS CB C 13 33.216 0.000 . . . . . . 115 LYS CB . 6944 1 1129 . 1 1 115 115 LYS CG C 13 25.249 0.000 . . . . . . 115 LYS CG . 6944 1 1130 . 1 1 115 115 LYS CD C 13 28.495 0.000 . . . . . . 115 LYS CD . 6944 1 1131 . 1 1 115 115 LYS N N 15 115.907 0.000 . . . . . . 115 LYS N . 6944 1 1132 . 1 1 116 116 GLN H H 1 8.162 0.000 . . . . . . 116 GLN H . 6944 1 1133 . 1 1 116 116 GLN HA H 1 3.778 0.009 . . . . . . 116 GLN HA . 6944 1 1134 . 1 1 116 116 GLN HB2 H 1 2.211 0.008 . . . . . . 116 GLN HB2 . 6944 1 1135 . 1 1 116 116 GLN HB3 H 1 2.473 0.004 . . . . . . 116 GLN HB3 . 6944 1 1136 . 1 1 116 116 GLN HG2 H 1 2.262 0.002 . . . . . . 116 GLN HG2 . 6944 1 1137 . 1 1 116 116 GLN HG3 H 1 2.318 0.002 . . . . . . 116 GLN HG3 . 6944 1 1138 . 1 1 116 116 GLN C C 13 174.221 0.000 . . . . . . 116 GLN C . 6944 1 1139 . 1 1 116 116 GLN CA C 13 57.049 0.000 . . . . . . 116 GLN CA . 6944 1 1140 . 1 1 116 116 GLN CB C 13 25.545 0.000 . . . . . . 116 GLN CB . 6944 1 1141 . 1 1 116 116 GLN CG C 13 34.101 0.000 . . . . . . 116 GLN CG . 6944 1 1142 . 1 1 116 116 GLN N N 15 114.206 0.000 . . . . . . 116 GLN N . 6944 1 1143 . 1 1 117 117 THR H H 1 7.676 0.000 . . . . . . 117 THR H . 6944 1 1144 . 1 1 117 117 THR HA H 1 4.767 0.000 . . . . . . 117 THR HA . 6944 1 1145 . 1 1 117 117 THR HB H 1 4.287 0.000 . . . . . . 117 THR HB . 6944 1 1146 . 1 1 117 117 THR HG21 H 1 1.142 0.001 . . . . . . 117 THR HG21 . 6944 1 1147 . 1 1 117 117 THR HG22 H 1 1.142 0.001 . . . . . . 117 THR HG22 . 6944 1 1148 . 1 1 117 117 THR HG23 H 1 1.142 0.001 . . . . . . 117 THR HG23 . 6944 1 1149 . 1 1 117 117 THR C C 13 173.169 0.000 . . . . . . 117 THR C . 6944 1 1150 . 1 1 117 117 THR CA C 13 59.276 0.000 . . . . . . 117 THR CA . 6944 1 1151 . 1 1 117 117 THR CB C 13 72.392 0.000 . . . . . . 117 THR CB . 6944 1 1152 . 1 1 117 117 THR CG2 C 13 21.709 0.000 . . . . . . 117 THR CG2 . 6944 1 1153 . 1 1 117 117 THR N N 15 106.990 0.000 . . . . . . 117 THR N . 6944 1 1154 . 1 1 118 118 ILE H H 1 9.015 0.000 . . . . . . 118 ILE H . 6944 1 1155 . 1 1 118 118 ILE HA H 1 4.604 0.001 . . . . . . 118 ILE HA . 6944 1 1156 . 1 1 118 118 ILE HB H 1 1.783 0.002 . . . . . . 118 ILE HB . 6944 1 1157 . 1 1 118 118 ILE HG21 H 1 1.010 0.005 . . . . . . 118 ILE HG21 . 6944 1 1158 . 1 1 118 118 ILE HG22 H 1 1.010 0.005 . . . . . . 118 ILE HG22 . 6944 1 1159 . 1 1 118 118 ILE HG23 H 1 1.010 0.005 . . . . . . 118 ILE HG23 . 6944 1 1160 . 1 1 118 118 ILE HD11 H 1 1.053 0.005 . . . . . . 118 ILE HD11 . 6944 1 1161 . 1 1 118 118 ILE HD12 H 1 1.053 0.005 . . . . . . 118 ILE HD12 . 6944 1 1162 . 1 1 118 118 ILE HD13 H 1 1.053 0.005 . . . . . . 118 ILE HD13 . 6944 1 1163 . 1 1 118 118 ILE C C 13 174.293 0.000 . . . . . . 118 ILE C . 6944 1 1164 . 1 1 118 118 ILE CA C 13 61.081 0.000 . . . . . . 118 ILE CA . 6944 1 1165 . 1 1 118 118 ILE CB C 13 40.593 0.000 . . . . . . 118 ILE CB . 6944 1 1166 . 1 1 118 118 ILE CG2 C 13 19.053 0.000 . . . . . . 118 ILE CG2 . 6944 1 1167 . 1 1 118 118 ILE CD1 C 13 14.922 0.000 . . . . . . 118 ILE CD1 . 6944 1 1168 . 1 1 118 118 ILE N N 15 121.062 0.000 . . . . . . 118 ILE N . 6944 1 1169 . 1 1 119 119 GLY H H 1 9.159 0.000 . . . . . . 119 GLY H . 6944 1 1170 . 1 1 119 119 GLY HA2 H 1 3.938 0.001 . . . . . . 119 GLY HA1 . 6944 1 1171 . 1 1 119 119 GLY HA3 H 1 5.207 0.005 . . . . . . 119 GLY HA2 . 6944 1 1172 . 1 1 119 119 GLY C C 13 172.135 0.000 . . . . . . 119 GLY C . 6944 1 1173 . 1 1 119 119 GLY CA C 13 44.428 0.000 . . . . . . 119 GLY CA . 6944 1 1174 . 1 1 119 119 GLY N N 15 114.842 0.000 . . . . . . 119 GLY N . 6944 1 1175 . 1 1 120 120 ASN H H 1 9.103 0.000 . . . . . . 120 ASN H . 6944 1 1176 . 1 1 120 120 ASN HA H 1 5.894 0.003 . . . . . . 120 ASN HA . 6944 1 1177 . 1 1 120 120 ASN HB2 H 1 2.686 0.001 . . . . . . 120 ASN HB2 . 6944 1 1178 . 1 1 120 120 ASN HB3 H 1 2.752 0.002 . . . . . . 120 ASN HB3 . 6944 1 1179 . 1 1 120 120 ASN C C 13 173.874 0.000 . . . . . . 120 ASN C . 6944 1 1180 . 1 1 120 120 ASN CA C 13 51.738 0.000 . . . . . . 120 ASN CA . 6944 1 1181 . 1 1 120 120 ASN CB C 13 40.888 0.000 . . . . . . 120 ASN CB . 6944 1 1182 . 1 1 120 120 ASN N N 15 118.629 0.000 . . . . . . 120 ASN N . 6944 1 1183 . 1 1 121 121 SER H H 1 8.671 0.000 . . . . . . 121 SER H . 6944 1 1184 . 1 1 121 121 SER HA H 1 5.447 0.003 . . . . . . 121 SER HA . 6944 1 1185 . 1 1 121 121 SER HB2 H 1 3.864 0.003 . . . . . . 121 SER HB2 . 6944 1 1186 . 1 1 121 121 SER HB3 H 1 3.983 0.002 . . . . . . 121 SER HB3 . 6944 1 1187 . 1 1 121 121 SER C C 13 172.170 0.000 . . . . . . 121 SER C . 6944 1 1188 . 1 1 121 121 SER CA C 13 57.049 0.000 . . . . . . 121 SER CA . 6944 1 1189 . 1 1 121 121 SER CB C 13 65.606 0.000 . . . . . . 121 SER CB . 6944 1 1190 . 1 1 121 121 SER N N 15 114.315 0.000 . . . . . . 121 SER N . 6944 1 1191 . 1 1 122 122 CYS H H 1 9.183 0.000 . . . . . . 122 CYS H . 6944 1 1192 . 1 1 122 122 CYS HB2 H 1 3.105 0.003 . . . . . . 122 CYS HB2 . 6944 1 1193 . 1 1 122 122 CYS HB3 H 1 3.457 0.001 . . . . . . 122 CYS HB3 . 6944 1 1194 . 1 1 122 122 CYS C C 13 177.859 0.000 . . . . . . 122 CYS C . 6944 1 1195 . 1 1 122 122 CYS CA C 13 58.486 0.000 . . . . . . 122 CYS CA . 6944 1 1196 . 1 1 122 122 CYS CB C 13 34.987 0.000 . . . . . . 122 CYS CB . 6944 1 1197 . 1 1 122 122 CYS N N 15 125.350 0.000 . . . . . . 122 CYS N . 6944 1 1198 . 1 1 123 123 LYS H H 1 9.036 0.000 . . . . . . 123 LYS H . 6944 1 1199 . 1 1 123 123 LYS HA H 1 4.240 0.000 . . . . . . 123 LYS HA . 6944 1 1200 . 1 1 123 123 LYS HB2 H 1 1.963 0.012 . . . . . . 123 LYS HB2 . 6944 1 1201 . 1 1 123 123 LYS HB3 H 1 1.963 0.000 . . . . . . 123 LYS HB3 . 6944 1 1202 . 1 1 123 123 LYS HG2 H 1 1.543 0.002 . . . . . . 123 LYS HG2 . 6944 1 1203 . 1 1 123 123 LYS HG3 H 1 1.543 0.000 . . . . . . 123 LYS HG3 . 6944 1 1204 . 1 1 123 123 LYS C C 13 176.433 0.000 . . . . . . 123 LYS C . 6944 1 1205 . 1 1 123 123 LYS CA C 13 58.524 0.000 . . . . . . 123 LYS CA . 6944 1 1206 . 1 1 123 123 LYS CB C 13 32.921 0.000 . . . . . . 123 LYS CB . 6944 1 1207 . 1 1 123 123 LYS CG C 13 25.545 0.000 . . . . . . 123 LYS CG . 6944 1 1208 . 1 1 123 123 LYS N N 15 129.388 0.000 . . . . . . 123 LYS N . 6944 1 1209 . 1 1 124 124 ALA H H 1 9.373 0.000 . . . . . . 124 ALA H . 6944 1 1210 . 1 1 124 124 ALA HA H 1 4.429 0.000 . . . . . . 124 ALA HA . 6944 1 1211 . 1 1 124 124 ALA HB1 H 1 1.438 0.002 . . . . . . 124 ALA HB1 . 6944 1 1212 . 1 1 124 124 ALA HB2 H 1 1.438 0.002 . . . . . . 124 ALA HB2 . 6944 1 1213 . 1 1 124 124 ALA HB3 H 1 1.438 0.002 . . . . . . 124 ALA HB3 . 6944 1 1214 . 1 1 124 124 ALA C C 13 178.769 0.000 . . . . . . 124 ALA C . 6944 1 1215 . 1 1 124 124 ALA CA C 13 54.689 0.000 . . . . . . 124 ALA CA . 6944 1 1216 . 1 1 124 124 ALA CB C 13 20.233 0.000 . . . . . . 124 ALA CB . 6944 1 1217 . 1 1 124 124 ALA N N 15 125.927 0.000 . . . . . . 124 ALA N . 6944 1 1218 . 1 1 125 125 CYS H H 1 9.379 0.000 . . . . . . 125 CYS H . 6944 1 1219 . 1 1 125 125 CYS HA H 1 5.101 0.001 . . . . . . 125 CYS HA . 6944 1 1220 . 1 1 125 125 CYS HB2 H 1 2.807 0.002 . . . . . . 125 CYS HB2 . 6944 1 1221 . 1 1 125 125 CYS HB3 H 1 3.349 0.000 . . . . . . 125 CYS HB3 . 6944 1 1222 . 1 1 125 125 CYS C C 13 177.182 0.000 . . . . . . 125 CYS C . 6944 1 1223 . 1 1 125 125 CYS CA C 13 58.820 0.000 . . . . . . 125 CYS CA . 6944 1 1224 . 1 1 125 125 CYS CB C 13 32.626 0.000 . . . . . . 125 CYS CB . 6944 1 1225 . 1 1 125 125 CYS N N 15 118.704 0.000 . . . . . . 125 CYS N . 6944 1 1226 . 1 1 126 126 GLY H H 1 7.477 0.000 . . . . . . 126 GLY H . 6944 1 1227 . 1 1 126 126 GLY HA2 H 1 3.898 0.003 . . . . . . 126 GLY HA1 . 6944 1 1228 . 1 1 126 126 GLY HA3 H 1 4.383 0.001 . . . . . . 126 GLY HA2 . 6944 1 1229 . 1 1 126 126 GLY C C 13 173.740 0.000 . . . . . . 126 GLY C . 6944 1 1230 . 1 1 126 126 GLY CA C 13 45.904 0.000 . . . . . . 126 GLY CA . 6944 1 1231 . 1 1 126 126 GLY N N 15 112.275 0.000 . . . . . . 126 GLY N . 6944 1 1232 . 1 1 127 127 TYR H H 1 9.247 0.000 . . . . . . 127 TYR H . 6944 1 1233 . 1 1 127 127 TYR HA H 1 4.260 0.005 . . . . . . 127 TYR HA . 6944 1 1234 . 1 1 127 127 TYR HB2 H 1 2.883 0.005 . . . . . . 127 TYR HB2 . 6944 1 1235 . 1 1 127 127 TYR HB3 H 1 3.184 0.000 . . . . . . 127 TYR HB3 . 6944 1 1236 . 1 1 127 127 TYR HD1 H 1 6.936 0.006 . . . . . . 127 TYR HD1 . 6944 1 1237 . 1 1 127 127 TYR HD2 H 1 6.936 0.000 . . . . . . 127 TYR HD2 . 6944 1 1238 . 1 1 127 127 TYR HE1 H 1 6.663 0.000 . . . . . . 127 TYR HE1 . 6944 1 1239 . 1 1 127 127 TYR HE2 H 1 6.663 0.000 . . . . . . 127 TYR HE2 . 6944 1 1240 . 1 1 127 127 TYR C C 13 174.239 0.000 . . . . . . 127 TYR C . 6944 1 1241 . 1 1 127 127 TYR CA C 13 60.590 0.000 . . . . . . 127 TYR CA . 6944 1 1242 . 1 1 127 127 TYR CB C 13 39.707 0.000 . . . . . . 127 TYR CB . 6944 1 1243 . 1 1 127 127 TYR CD1 C 13 134.221 0.000 . . . . . . 127 TYR CD1 . 6944 1 1244 . 1 1 127 127 TYR CD2 C 13 134.221 0.000 . . . . . . 127 TYR CD2 . 6944 1 1245 . 1 1 127 127 TYR CE1 C 13 118.060 0.000 . . . . . . 127 TYR CE1 . 6944 1 1246 . 1 1 127 127 TYR CE2 C 13 118.060 0.000 . . . . . . 127 TYR CE2 . 6944 1 1247 . 1 1 127 127 TYR N N 15 126.855 0.000 . . . . . . 127 TYR N . 6944 1 1248 . 1 1 128 128 ARG H H 1 7.227 0.000 . . . . . . 128 ARG H . 6944 1 1249 . 1 1 128 128 ARG HA H 1 4.683 0.000 . . . . . . 128 ARG HA . 6944 1 1250 . 1 1 128 128 ARG HB2 H 1 1.604 0.002 . . . . . . 128 ARG HB2 . 6944 1 1251 . 1 1 128 128 ARG HB3 H 1 1.688 0.001 . . . . . . 128 ARG HB3 . 6944 1 1252 . 1 1 128 128 ARG HG2 H 1 1.538 0.002 . . . . . . 128 ARG HG2 . 6944 1 1253 . 1 1 128 128 ARG HG3 H 1 1.632 0.002 . . . . . . 128 ARG HG3 . 6944 1 1254 . 1 1 128 128 ARG HD2 H 1 3.154 0.002 . . . . . . 128 ARG HD2 . 6944 1 1255 . 1 1 128 128 ARG HD3 H 1 3.154 0.000 . . . . . . 128 ARG HD3 . 6944 1 1256 . 1 1 128 128 ARG C C 13 174.542 0.000 . . . . . . 128 ARG C . 6944 1 1257 . 1 1 128 128 ARG CA C 13 54.870 0.000 . . . . . . 128 ARG CA . 6944 1 1258 . 1 1 128 128 ARG CB C 13 32.921 0.000 . . . . . . 128 ARG CB . 6944 1 1259 . 1 1 128 128 ARG CG C 13 27.315 0.000 . . . . . . 128 ARG CG . 6944 1 1260 . 1 1 128 128 ARG CD C 13 43.543 0.000 . . . . . . 128 ARG CD . 6944 1 1261 . 1 1 128 128 ARG N N 15 126.502 0.000 . . . . . . 128 ARG N . 6944 1 1262 . 1 1 129 129 GLY H H 1 8.207 0.000 . . . . . . 129 GLY H . 6944 1 1263 . 1 1 129 129 GLY HA2 H 1 4.277 0.006 . . . . . . 129 GLY HA1 . 6944 1 1264 . 1 1 129 129 GLY HA3 H 1 4.277 0.000 . . . . . . 129 GLY HA2 . 6944 1 1265 . 1 1 129 129 GLY C C 13 172.491 0.000 . . . . . . 129 GLY C . 6944 1 1266 . 1 1 129 129 GLY CA C 13 45.314 0.000 . . . . . . 129 GLY CA . 6944 1 1267 . 1 1 129 129 GLY N N 15 111.598 0.000 . . . . . . 129 GLY N . 6944 1 1268 . 1 1 130 130 MET H H 1 8.627 0.000 . . . . . . 130 MET H . 6944 1 1269 . 1 1 130 130 MET HA H 1 5.249 0.004 . . . . . . 130 MET HA . 6944 1 1270 . 1 1 130 130 MET HB2 H 1 2.059 0.006 . . . . . . 130 MET HB2 . 6944 1 1271 . 1 1 130 130 MET HB3 H 1 2.174 0.007 . . . . . . 130 MET HB3 . 6944 1 1272 . 1 1 130 130 MET HG2 H 1 2.576 0.000 . . . . . . 130 MET HG2 . 6944 1 1273 . 1 1 130 130 MET HG3 H 1 2.756 0.006 . . . . . . 130 MET HG3 . 6944 1 1274 . 1 1 130 130 MET HE1 H 1 2.164 0.003 . . . . . . 130 MET HE1 . 6944 1 1275 . 1 1 130 130 MET HE2 H 1 2.164 0.003 . . . . . . 130 MET HE2 . 6944 1 1276 . 1 1 130 130 MET HE3 H 1 2.164 0.003 . . . . . . 130 MET HE3 . 6944 1 1277 . 1 1 130 130 MET C C 13 176.468 0.000 . . . . . . 130 MET C . 6944 1 1278 . 1 1 130 130 MET CA C 13 54.099 0.000 . . . . . . 130 MET CA . 6944 1 1279 . 1 1 130 130 MET CB C 13 34.691 0.000 . . . . . . 130 MET CB . 6944 1 1280 . 1 1 130 130 MET CG C 13 32.331 0.000 . . . . . . 130 MET CG . 6944 1 1281 . 1 1 130 130 MET CE C 13 16.988 0.000 . . . . . . 130 MET CE . 6944 1 1282 . 1 1 130 130 MET N N 15 119.607 0.000 . . . . . . 130 MET N . 6944 1 1283 . 1 1 131 131 LEU H H 1 8.979 0.000 . . . . . . 131 LEU H . 6944 1 1284 . 1 1 131 131 LEU HA H 1 4.455 0.003 . . . . . . 131 LEU HA . 6944 1 1285 . 1 1 131 131 LEU HB2 H 1 1.534 0.002 . . . . . . 131 LEU HB2 . 6944 1 1286 . 1 1 131 131 LEU HB3 H 1 1.577 0.003 . . . . . . 131 LEU HB3 . 6944 1 1287 . 1 1 131 131 LEU HG H 1 1.602 0.003 . . . . . . 131 LEU HG . 6944 1 1288 . 1 1 131 131 LEU HD11 H 1 0.844 0.008 . . . . . . 131 LEU HD11 . 6944 1 1289 . 1 1 131 131 LEU HD12 H 1 0.844 0.008 . . . . . . 131 LEU HD12 . 6944 1 1290 . 1 1 131 131 LEU HD13 H 1 0.844 0.008 . . . . . . 131 LEU HD13 . 6944 1 1291 . 1 1 131 131 LEU HD21 H 1 0.890 0.009 . . . . . . 131 LEU HD21 . 6944 1 1292 . 1 1 131 131 LEU HD22 H 1 0.890 0.009 . . . . . . 131 LEU HD22 . 6944 1 1293 . 1 1 131 131 LEU HD23 H 1 0.890 0.009 . . . . . . 131 LEU HD23 . 6944 1 1294 . 1 1 131 131 LEU C C 13 176.800 0.000 . . . . . . 131 LEU C . 6944 1 1295 . 1 1 131 131 LEU CA C 13 54.984 0.000 . . . . . . 131 LEU CA . 6944 1 1296 . 1 1 131 131 LEU CB C 13 42.658 0.000 . . . . . . 131 LEU CB . 6944 1 1297 . 1 1 131 131 LEU CG C 13 27.905 0.000 . . . . . . 131 LEU CG . 6944 1 1298 . 1 1 131 131 LEU CD1 C 13 24.069 0.000 . . . . . . 131 LEU CD1 . 6944 1 1299 . 1 1 131 131 LEU CD2 C 13 25.249 0.000 . . . . . . 131 LEU CD2 . 6944 1 1300 . 1 1 131 131 LEU N N 15 124.247 0.000 . . . . . . 131 LEU N . 6944 1 1301 . 1 1 132 132 ASP H H 1 8.468 0.000 . . . . . . 132 ASP H . 6944 1 1302 . 1 1 132 132 ASP HA H 1 4.676 0.006 . . . . . . 132 ASP HA . 6944 1 1303 . 1 1 132 132 ASP HB2 H 1 2.740 0.002 . . . . . . 132 ASP HB2 . 6944 1 1304 . 1 1 132 132 ASP HB3 H 1 2.781 0.003 . . . . . . 132 ASP HB3 . 6944 1 1305 . 1 1 132 132 ASP C C 13 177.075 0.000 . . . . . . 132 ASP C . 6944 1 1306 . 1 1 132 132 ASP CA C 13 54.689 0.000 . . . . . . 132 ASP CA . 6944 1 1307 . 1 1 132 132 ASP CB C 13 41.773 0.000 . . . . . . 132 ASP CB . 6944 1 1308 . 1 1 132 132 ASP N N 15 122.596 0.000 . . . . . . 132 ASP N . 6944 1 1309 . 1 1 133 133 THR H H 1 8.107 0.000 . . . . . . 133 THR H . 6944 1 1310 . 1 1 133 133 THR HA H 1 4.795 0.000 . . . . . . 133 THR HA . 6944 1 1311 . 1 1 133 133 THR HB H 1 4.465 0.003 . . . . . . 133 THR HB . 6944 1 1312 . 1 1 133 133 THR HG21 H 1 1.252 0.002 . . . . . . 133 THR HG21 . 6944 1 1313 . 1 1 133 133 THR HG22 H 1 1.252 0.002 . . . . . . 133 THR HG22 . 6944 1 1314 . 1 1 133 133 THR HG23 H 1 1.252 0.002 . . . . . . 133 THR HG23 . 6944 1 1315 . 1 1 133 133 THR C C 13 173.722 0.000 . . . . . . 133 THR C . 6944 1 1316 . 1 1 133 133 THR CA C 13 62.133 0.000 . . . . . . 133 THR CA . 6944 1 1317 . 1 1 133 133 THR CB C 13 68.557 0.000 . . . . . . 133 THR CB . 6944 1 1318 . 1 1 133 133 THR CG2 C 13 21.709 0.000 . . . . . . 133 THR CG2 . 6944 1 1319 . 1 1 133 133 THR N N 15 114.285 0.000 . . . . . . 133 THR N . 6944 1 1320 . 1 1 134 134 HIS H H 1 8.437 0.000 . . . . . . 134 HIS H . 6944 1 1321 . 1 1 134 134 HIS C C 13 175.570 0.000 . . . . . . 134 HIS C . 6944 1 1322 . 1 1 134 134 HIS CA C 13 57.775 0.000 . . . . . . 134 HIS CA . 6944 1 1323 . 1 1 134 134 HIS CB C 13 28.574 0.000 . . . . . . 134 HIS CB . 6944 1 1324 . 1 1 134 134 HIS N N 15 119.406 0.000 . . . . . . 134 HIS N . 6944 1 1325 . 1 1 135 135 HIS H H 1 8.093 0.000 . . . . . . 135 HIS H . 6944 1 1326 . 1 1 135 135 HIS C C 13 174.132 0.000 . . . . . . 135 HIS C . 6944 1 1327 . 1 1 135 135 HIS CA C 13 58.960 0.000 . . . . . . 135 HIS CA . 6944 1 1328 . 1 1 135 135 HIS CB C 13 32.800 0.000 . . . . . . 135 HIS CB . 6944 1 1329 . 1 1 135 135 HIS N N 15 121.033 0.000 . . . . . . 135 HIS N . 6944 1 1330 . 1 1 136 136 LYS H H 1 8.663 0.000 . . . . . . 136 LYS H . 6944 1 1331 . 1 1 136 136 LYS CA C 13 53.307 0.000 . . . . . . 136 LYS CA . 6944 1 1332 . 1 1 136 136 LYS N N 15 123.143 0.000 . . . . . . 136 LYS N . 6944 1 1333 . 1 1 137 137 LEU HA H 1 4.220 0.003 . . . . . . 137 LEU HA . 6944 1 1334 . 1 1 137 137 LEU HB2 H 1 1.546 0.000 . . . . . . 137 LEU HB2 . 6944 1 1335 . 1 1 137 137 LEU HB3 H 1 1.991 0.000 . . . . . . 137 LEU HB3 . 6944 1 1336 . 1 1 137 137 LEU HG H 1 1.520 0.004 . . . . . . 137 LEU HG . 6944 1 1337 . 1 1 137 137 LEU HD11 H 1 0.835 0.002 . . . . . . 137 LEU HD11 . 6944 1 1338 . 1 1 137 137 LEU HD12 H 1 0.835 0.002 . . . . . . 137 LEU HD12 . 6944 1 1339 . 1 1 137 137 LEU HD13 H 1 0.835 0.002 . . . . . . 137 LEU HD13 . 6944 1 1340 . 1 1 137 137 LEU HD21 H 1 0.211 0.001 . . . . . . 137 LEU HD21 . 6944 1 1341 . 1 1 137 137 LEU HD22 H 1 0.211 0.001 . . . . . . 137 LEU HD22 . 6944 1 1342 . 1 1 137 137 LEU HD23 H 1 0.211 0.001 . . . . . . 137 LEU HD23 . 6944 1 1343 . 1 1 137 137 LEU C C 13 178.929 0.000 . . . . . . 137 LEU C . 6944 1 1344 . 1 1 137 137 LEU CA C 13 57.344 0.000 . . . . . . 137 LEU CA . 6944 1 1345 . 1 1 137 137 LEU CB C 13 42.363 0.000 . . . . . . 137 LEU CB . 6944 1 1346 . 1 1 137 137 LEU CG C 13 26.430 0.000 . . . . . . 137 LEU CG . 6944 1 1347 . 1 1 137 137 LEU CD1 C 13 24.659 0.000 . . . . . . 137 LEU CD1 . 6944 1 1348 . 1 1 137 137 LEU CD2 C 13 26.430 0.000 . . . . . . 137 LEU CD2 . 6944 1 1349 . 1 1 138 138 CYS H H 1 8.526 0.000 . . . . . . 138 CYS H . 6944 1 1350 . 1 1 138 138 CYS HA H 1 3.814 0.003 . . . . . . 138 CYS HA . 6944 1 1351 . 1 1 138 138 CYS HB2 H 1 2.888 0.007 . . . . . . 138 CYS HB2 . 6944 1 1352 . 1 1 138 138 CYS HB3 H 1 3.398 0.006 . . . . . . 138 CYS HB3 . 6944 1 1353 . 1 1 138 138 CYS C C 13 175.844 0.000 . . . . . . 138 CYS C . 6944 1 1354 . 1 1 138 138 CYS CA C 13 63.511 0.000 . . . . . . 138 CYS CA . 6944 1 1355 . 1 1 138 138 CYS CB C 13 26.135 0.000 . . . . . . 138 CYS CB . 6944 1 1356 . 1 1 138 138 CYS N N 15 115.995 0.000 . . . . . . 138 CYS N . 6944 1 1357 . 1 1 139 139 THR H H 1 7.602 0.000 . . . . . . 139 THR H . 6944 1 1358 . 1 1 139 139 THR HA H 1 3.980 0.007 . . . . . . 139 THR HA . 6944 1 1359 . 1 1 139 139 THR HB H 1 4.265 0.004 . . . . . . 139 THR HB . 6944 1 1360 . 1 1 139 139 THR HG21 H 1 1.352 0.001 . . . . . . 139 THR HG21 . 6944 1 1361 . 1 1 139 139 THR HG22 H 1 1.352 0.001 . . . . . . 139 THR HG22 . 6944 1 1362 . 1 1 139 139 THR HG23 H 1 1.352 0.001 . . . . . . 139 THR HG23 . 6944 1 1363 . 1 1 139 139 THR C C 13 175.487 0.000 . . . . . . 139 THR C . 6944 1 1364 . 1 1 139 139 THR CA C 13 66.491 0.000 . . . . . . 139 THR CA . 6944 1 1365 . 1 1 139 139 THR CB C 13 68.557 0.000 . . . . . . 139 THR CB . 6944 1 1366 . 1 1 139 139 THR CG2 C 13 21.709 0.000 . . . . . . 139 THR CG2 . 6944 1 1367 . 1 1 139 139 THR N N 15 113.330 0.000 . . . . . . 139 THR N . 6944 1 1368 . 1 1 140 140 PHE H H 1 7.171 0.000 . . . . . . 140 PHE H . 6944 1 1369 . 1 1 140 140 PHE HA H 1 4.172 0.001 . . . . . . 140 PHE HA . 6944 1 1370 . 1 1 140 140 PHE HB2 H 1 3.227 0.003 . . . . . . 140 PHE HB2 . 6944 1 1371 . 1 1 140 140 PHE HB3 H 1 3.227 0.000 . . . . . . 140 PHE HB3 . 6944 1 1372 . 1 1 140 140 PHE HD1 H 1 6.918 0.001 . . . . . . 140 PHE HD1 . 6944 1 1373 . 1 1 140 140 PHE HD2 H 1 6.918 0.000 . . . . . . 140 PHE HD2 . 6944 1 1374 . 1 1 140 140 PHE C C 13 177.633 0.000 . . . . . . 140 PHE C . 6944 1 1375 . 1 1 140 140 PHE CA C 13 62.035 0.000 . . . . . . 140 PHE CA . 6944 1 1376 . 1 1 140 140 PHE CB C 13 39.412 0.000 . . . . . . 140 PHE CB . 6944 1 1377 . 1 1 140 140 PHE CD1 C 13 133.926 0.000 . . . . . . 140 PHE CD1 . 6944 1 1378 . 1 1 140 140 PHE CD2 C 13 133.926 0.000 . . . . . . 140 PHE CD2 . 6944 1 1379 . 1 1 140 140 PHE N N 15 121.899 0.000 . . . . . . 140 PHE N . 6944 1 1380 . 1 1 141 141 ILE H H 1 8.055 0.000 . . . . . . 141 ILE H . 6944 1 1381 . 1 1 141 141 ILE HA H 1 3.107 0.008 . . . . . . 141 ILE HA . 6944 1 1382 . 1 1 141 141 ILE HB H 1 1.674 0.000 . . . . . . 141 ILE HB . 6944 1 1383 . 1 1 141 141 ILE HG12 H 1 -0.364 0.003 . . . . . . 141 ILE HG12 . 6944 1 1384 . 1 1 141 141 ILE HG13 H 1 1.261 0.002 . . . . . . 141 ILE HG13 . 6944 1 1385 . 1 1 141 141 ILE HG21 H 1 0.860 0.001 . . . . . . 141 ILE HG21 . 6944 1 1386 . 1 1 141 141 ILE HG22 H 1 0.860 0.001 . . . . . . 141 ILE HG22 . 6944 1 1387 . 1 1 141 141 ILE HG23 H 1 0.860 0.001 . . . . . . 141 ILE HG23 . 6944 1 1388 . 1 1 141 141 ILE HD11 H 1 0.313 0.001 . . . . . . 141 ILE HD11 . 6944 1 1389 . 1 1 141 141 ILE HD12 H 1 0.313 0.001 . . . . . . 141 ILE HD12 . 6944 1 1390 . 1 1 141 141 ILE HD13 H 1 0.313 0.001 . . . . . . 141 ILE HD13 . 6944 1 1391 . 1 1 141 141 ILE C C 13 176.718 0.000 . . . . . . 141 ILE C . 6944 1 1392 . 1 1 141 141 ILE CA C 13 65.901 0.000 . . . . . . 141 ILE CA . 6944 1 1393 . 1 1 141 141 ILE CB C 13 37.937 0.000 . . . . . . 141 ILE CB . 6944 1 1394 . 1 1 141 141 ILE CG1 C 13 26.725 0.000 . . . . . . 141 ILE CG1 . 6944 1 1395 . 1 1 141 141 ILE CG2 C 13 16.693 0.000 . . . . . . 141 ILE CG2 . 6944 1 1396 . 1 1 141 141 ILE CD1 C 13 13.447 0.000 . . . . . . 141 ILE CD1 . 6944 1 1397 . 1 1 141 141 ILE N N 15 121.346 0.000 . . . . . . 141 ILE N . 6944 1 1398 . 1 1 142 142 LEU H H 1 7.773 0.000 . . . . . . 142 LEU H . 6944 1 1399 . 1 1 142 142 LEU HA H 1 3.760 0.001 . . . . . . 142 LEU HA . 6944 1 1400 . 1 1 142 142 LEU HB2 H 1 1.398 0.001 . . . . . . 142 LEU HB2 . 6944 1 1401 . 1 1 142 142 LEU HB3 H 1 1.885 0.004 . . . . . . 142 LEU HB3 . 6944 1 1402 . 1 1 142 142 LEU HG H 1 1.648 0.001 . . . . . . 142 LEU HG . 6944 1 1403 . 1 1 142 142 LEU HD11 H 1 0.702 0.002 . . . . . . 142 LEU HD11 . 6944 1 1404 . 1 1 142 142 LEU HD12 H 1 0.702 0.002 . . . . . . 142 LEU HD12 . 6944 1 1405 . 1 1 142 142 LEU HD13 H 1 0.702 0.002 . . . . . . 142 LEU HD13 . 6944 1 1406 . 1 1 142 142 LEU HD21 H 1 0.807 0.002 . . . . . . 142 LEU HD21 . 6944 1 1407 . 1 1 142 142 LEU HD22 H 1 0.807 0.002 . . . . . . 142 LEU HD22 . 6944 1 1408 . 1 1 142 142 LEU HD23 H 1 0.807 0.002 . . . . . . 142 LEU HD23 . 6944 1 1409 . 1 1 142 142 LEU C C 13 178.038 0.000 . . . . . . 142 LEU C . 6944 1 1410 . 1 1 142 142 LEU CA C 13 58.229 0.000 . . . . . . 142 LEU CA . 6944 1 1411 . 1 1 142 142 LEU CB C 13 42.363 0.000 . . . . . . 142 LEU CB . 6944 1 1412 . 1 1 142 142 LEU CG C 13 27.905 0.000 . . . . . . 142 LEU CG . 6944 1 1413 . 1 1 142 142 LEU CD1 C 13 24.659 0.000 . . . . . . 142 LEU CD1 . 6944 1 1414 . 1 1 142 142 LEU CD2 C 13 25.249 0.000 . . . . . . 142 LEU CD2 . 6944 1 1415 . 1 1 142 142 LEU N N 15 115.533 0.000 . . . . . . 142 LEU N . 6944 1 1416 . 1 1 143 143 LYS H H 1 6.913 0.000 . . . . . . 143 LYS H . 6944 1 1417 . 1 1 143 143 LYS HA H 1 4.233 0.001 . . . . . . 143 LYS HA . 6944 1 1418 . 1 1 143 143 LYS HB2 H 1 1.625 0.002 . . . . . . 143 LYS HB2 . 6944 1 1419 . 1 1 143 143 LYS HB3 H 1 1.858 0.009 . . . . . . 143 LYS HB3 . 6944 1 1420 . 1 1 143 143 LYS HG2 H 1 1.483 0.000 . . . . . . 143 LYS HG2 . 6944 1 1421 . 1 1 143 143 LYS HG3 H 1 1.590 0.003 . . . . . . 143 LYS HG3 . 6944 1 1422 . 1 1 143 143 LYS C C 13 175.666 0.000 . . . . . . 143 LYS C . 6944 1 1423 . 1 1 143 143 LYS CA C 13 56.459 0.000 . . . . . . 143 LYS CA . 6944 1 1424 . 1 1 143 143 LYS CB C 13 33.806 0.000 . . . . . . 143 LYS CB . 6944 1 1425 . 1 1 143 143 LYS CG C 13 25.249 0.000 . . . . . . 143 LYS CG . 6944 1 1426 . 1 1 143 143 LYS N N 15 114.430 0.000 . . . . . . 143 LYS N . 6944 1 1427 . 1 1 144 144 ASN H H 1 7.557 0.000 . . . . . . 144 ASN H . 6944 1 1428 . 1 1 144 144 ASN HA H 1 4.998 0.009 . . . . . . 144 ASN HA . 6944 1 1429 . 1 1 144 144 ASN HB2 H 1 2.062 0.002 . . . . . . 144 ASN HB2 . 6944 1 1430 . 1 1 144 144 ASN HB3 H 1 2.230 0.003 . . . . . . 144 ASN HB3 . 6944 1 1431 . 1 1 144 144 ASN HD21 H 1 6.302 0.000 . . . . . . 144 ASN HD21 . 6944 1 1432 . 1 1 144 144 ASN HD22 H 1 6.794 0.000 . . . . . . 144 ASN HD22 . 6944 1 1433 . 1 1 144 144 ASN CA C 13 51.148 0.000 . . . . . . 144 ASN CA . 6944 1 1434 . 1 1 144 144 ASN CB C 13 39.707 0.000 . . . . . . 144 ASN CB . 6944 1 1435 . 1 1 144 144 ASN N N 15 118.533 0.000 . . . . . . 144 ASN N . 6944 1 1436 . 1 1 144 144 ASN ND2 N 15 118.659 0.000 . . . . . . 144 ASN ND2 . 6944 1 1437 . 1 1 146 146 PRO C C 13 175.666 0.000 . . . . . . 146 PRO C . 6944 1 1438 . 1 1 146 146 PRO CA C 13 63.007 0.000 . . . . . . 146 PRO CA . 6944 1 1439 . 1 1 146 146 PRO CB C 13 32.021 0.000 . . . . . . 146 PRO CB . 6944 1 1440 . 1 1 147 147 GLU H H 1 8.638 0.000 . . . . . . 147 GLU H . 6944 1 1441 . 1 1 147 147 GLU HA H 1 4.340 0.009 . . . . . . 147 GLU HA . 6944 1 1442 . 1 1 147 147 GLU HB2 H 1 1.988 0.002 . . . . . . 147 GLU HB2 . 6944 1 1443 . 1 1 147 147 GLU HB3 H 1 2.093 0.001 . . . . . . 147 GLU HB3 . 6944 1 1444 . 1 1 147 147 GLU HG2 H 1 2.346 0.008 . . . . . . 147 GLU HG2 . 6944 1 1445 . 1 1 147 147 GLU HG3 H 1 2.346 0.000 . . . . . . 147 GLU HG3 . 6944 1 1446 . 1 1 147 147 GLU C C 13 176.236 0.000 . . . . . . 147 GLU C . 6944 1 1447 . 1 1 147 147 GLU CA C 13 56.754 0.000 . . . . . . 147 GLU CA . 6944 1 1448 . 1 1 147 147 GLU CB C 13 30.266 0.000 . . . . . . 147 GLU CB . 6944 1 1449 . 1 1 147 147 GLU CG C 13 36.167 0.000 . . . . . . 147 GLU CG . 6944 1 1450 . 1 1 147 147 GLU N N 15 121.162 0.000 . . . . . . 147 GLU N . 6944 1 1451 . 1 1 148 148 ASN H H 1 8.590 0.000 . . . . . . 148 ASN H . 6944 1 1452 . 1 1 148 148 ASN CA C 13 53.223 0.000 . . . . . . 148 ASN CA . 6944 1 1453 . 1 1 148 148 ASN CB C 13 38.915 0.000 . . . . . . 148 ASN CB . 6944 1 1454 . 1 1 148 148 ASN N N 15 120.359 0.000 . . . . . . 148 ASN N . 6944 1 1455 . 1 1 149 149 SER H H 1 8.442 0.000 . . . . . . 149 SER H . 6944 1 1456 . 1 1 149 149 SER C C 13 174.290 0.000 . . . . . . 149 SER C . 6944 1 1457 . 1 1 149 149 SER CA C 13 58.688 0.000 . . . . . . 149 SER CA . 6944 1 1458 . 1 1 149 149 SER CB C 13 63.968 0.000 . . . . . . 149 SER CB . 6944 1 1459 . 1 1 149 149 SER N N 15 116.873 0.000 . . . . . . 149 SER N . 6944 1 1460 . 1 1 150 150 ASP H H 1 8.508 0.000 . . . . . . 150 ASP H . 6944 1 1461 . 1 1 150 150 ASP C C 13 176.450 0.000 . . . . . . 150 ASP C . 6944 1 1462 . 1 1 150 150 ASP CA C 13 54.359 0.000 . . . . . . 150 ASP CA . 6944 1 1463 . 1 1 150 150 ASP CB C 13 41.301 0.000 . . . . . . 150 ASP CB . 6944 1 1464 . 1 1 150 150 ASP N N 15 122.744 0.000 . . . . . . 150 ASP N . 6944 1 1465 . 1 1 151 151 SER H H 1 8.408 0.000 . . . . . . 151 SER H . 6944 1 1466 . 1 1 151 151 SER C C 13 175.309 0.000 . . . . . . 151 SER C . 6944 1 1467 . 1 1 151 151 SER CA C 13 58.881 0.000 . . . . . . 151 SER CA . 6944 1 1468 . 1 1 151 151 SER CB C 13 63.720 0.000 . . . . . . 151 SER CB . 6944 1 1469 . 1 1 151 151 SER N N 15 116.723 0.000 . . . . . . 151 SER N . 6944 1 1470 . 1 1 152 152 GLY H H 1 8.603 0.000 . . . . . . 152 GLY H . 6944 1 1471 . 1 1 152 152 GLY C C 13 174.703 0.000 . . . . . . 152 GLY C . 6944 1 1472 . 1 1 152 152 GLY CA C 13 45.618 0.000 . . . . . . 152 GLY CA . 6944 1 1473 . 1 1 152 152 GLY N N 15 110.921 0.000 . . . . . . 152 GLY N . 6944 1 1474 . 1 1 153 153 THR H H 1 8.146 0.000 . . . . . . 153 THR H . 6944 1 1475 . 1 1 153 153 THR HB H 1 4.339 0.002 . . . . . . 153 THR HB . 6944 1 1476 . 1 1 153 153 THR HG21 H 1 1.270 0.007 . . . . . . 153 THR HG21 . 6944 1 1477 . 1 1 153 153 THR HG22 H 1 1.270 0.007 . . . . . . 153 THR HG22 . 6944 1 1478 . 1 1 153 153 THR HG23 H 1 1.270 0.007 . . . . . . 153 THR HG23 . 6944 1 1479 . 1 1 153 153 THR C C 13 175.434 0.000 . . . . . . 153 THR C . 6944 1 1480 . 1 1 153 153 THR CA C 13 62.307 0.000 . . . . . . 153 THR CA . 6944 1 1481 . 1 1 153 153 THR CB C 13 69.737 0.000 . . . . . . 153 THR CB . 6944 1 1482 . 1 1 153 153 THR CG2 C 13 21.709 0.000 . . . . . . 153 THR CG2 . 6944 1 1483 . 1 1 153 153 THR N N 15 113.220 0.000 . . . . . . 153 THR N . 6944 1 1484 . 1 1 154 154 GLY H H 1 8.566 0.000 . . . . . . 154 GLY H . 6944 1 1485 . 1 1 154 154 GLY HA2 H 1 4.014 0.003 . . . . . . 154 GLY HA1 . 6944 1 1486 . 1 1 154 154 GLY HA3 H 1 4.014 0.000 . . . . . . 154 GLY HA2 . 6944 1 1487 . 1 1 154 154 GLY C C 13 174.221 0.000 . . . . . . 154 GLY C . 6944 1 1488 . 1 1 154 154 GLY CA C 13 45.609 0.000 . . . . . . 154 GLY CA . 6944 1 1489 . 1 1 154 154 GLY N N 15 111.499 0.000 . . . . . . 154 GLY N . 6944 1 1490 . 1 1 155 155 LYS H H 1 8.190 0.000 . . . . . . 155 LYS H . 6944 1 1491 . 1 1 155 155 LYS CA C 13 56.625 0.000 . . . . . . 155 LYS CA . 6944 1 1492 . 1 1 155 155 LYS N N 15 121.077 0.000 . . . . . . 155 LYS N . 6944 1 1493 . 1 1 164 164 LYS C C 13 176.910 0.000 . . . . . . 164 LYS C . 6944 1 1494 . 1 1 164 164 LYS CA C 13 56.434 0.000 . . . . . . 164 LYS CA . 6944 1 1495 . 1 1 164 164 LYS CB C 13 33.190 0.000 . . . . . . 164 LYS CB . 6944 1 1496 . 1 1 165 165 GLY H H 1 8.495 0.000 . . . . . . 165 GLY H . 6944 1 1497 . 1 1 165 165 GLY HA2 H 1 4.012 0.001 . . . . . . 165 GLY HA1 . 6944 1 1498 . 1 1 165 165 GLY HA3 H 1 4.012 0.000 . . . . . . 165 GLY HA2 . 6944 1 1499 . 1 1 165 165 GLY C C 13 173.936 0.000 . . . . . . 165 GLY C . 6944 1 1500 . 1 1 165 165 GLY CA C 13 45.019 0.000 . . . . . . 165 GLY CA . 6944 1 1501 . 1 1 165 165 GLY N N 15 110.603 0.000 . . . . . . 165 GLY N . 6944 1 1502 . 1 1 166 166 LYS H H 1 8.337 0.000 . . . . . . 166 LYS H . 6944 1 1503 . 1 1 166 166 LYS C C 13 176.254 0.000 . . . . . . 166 LYS C . 6944 1 1504 . 1 1 166 166 LYS CA C 13 56.376 0.000 . . . . . . 166 LYS CA . 6944 1 1505 . 1 1 166 166 LYS CB C 13 33.198 0.000 . . . . . . 166 LYS CB . 6944 1 1506 . 1 1 166 166 LYS N N 15 121.053 0.000 . . . . . . 166 LYS N . 6944 1 1507 . 1 1 167 167 ASP H H 1 8.505 0.000 . . . . . . 167 ASP H . 6944 1 1508 . 1 1 167 167 ASP C C 13 176.700 0.000 . . . . . . 167 ASP C . 6944 1 1509 . 1 1 167 167 ASP CA C 13 53.166 0.000 . . . . . . 167 ASP CA . 6944 1 1510 . 1 1 167 167 ASP CB C 13 38.660 0.000 . . . . . . 167 ASP CB . 6944 1 1511 . 1 1 167 167 ASP N N 15 119.783 0.000 . . . . . . 167 ASP N . 6944 1 1512 . 1 1 168 168 LYS H H 1 8.363 0.000 . . . . . . 168 LYS H . 6944 1 1513 . 1 1 168 168 LYS CA C 13 56.548 0.000 . . . . . . 168 LYS CA . 6944 1 1514 . 1 1 168 168 LYS N N 15 121.971 0.000 . . . . . . 168 LYS N . 6944 1 1515 . 1 1 169 169 GLU C C 13 175.291 0.000 . . . . . . 169 GLU C . 6944 1 1516 . 1 1 169 169 GLU CA C 13 56.625 0.000 . . . . . . 169 GLU CA . 6944 1 1517 . 1 1 169 169 GLU CB C 13 30.540 0.000 . . . . . . 169 GLU CB . 6944 1 1518 . 1 1 170 170 ASN H H 1 8.067 0.000 . . . . . . 170 ASN H . 6944 1 1519 . 1 1 170 170 ASN CA C 13 54.790 0.000 . . . . . . 170 ASN CA . 6944 1 1520 . 1 1 170 170 ASN CB C 13 40.460 0.000 . . . . . . 170 ASN CB . 6944 1 1521 . 1 1 170 170 ASN N N 15 124.482 0.000 . . . . . . 170 ASN N . 6944 1 stop_ save_