data_4720 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4720 _Entry.Title ; Backbone 1H, 15N, and 13C Resonance Assignments of Inhibitor-2-- a Protein Inhibitor of Protein Phosphatase-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-04-13 _Entry.Accession_date 2000-04-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hsien-bin Huang . . . 4720 2 Yi-Chen Chen . . . 4720 3 Li-huang Tsai . . . 4720 4 Hui-chun Wang . . . 4720 5 Fang-Min Lin . . . 4720 6 Atsuko Horiuchi . . . 4720 7 Paul Greengard . . . 4720 8 Angus Nairn . C. . 4720 9 Ming-Shi Shiao . . . 4720 10 Ta-Hsien Lin . . . 4720 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4720 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 509 4720 '15N chemical shifts' 162 4720 '1H chemical shifts' 641 4720 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 . . 2000-09-26 . original author 'Original release' 4720 1 . . 2007-03-23 . update BMRB 'Links to related BMRB entries inserted' 4720 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15179 'Inhibitor-2 residues 9 - 164' 4720 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4720 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20466532 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Backbone 1H, 15N, and 13C Resonance Assignments of Inhibitor-2-- a Protein Inhibitor of Protein Phosphatase-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 17 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 359 _Citation.Page_last 360 _Citation.Year 2000 _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 Hsien-bin Huang . . . 4720 1 2 Yi-Chen Chen . . . 4720 1 3 Li-huang Tsai . . . 4720 1 4 Hui-chun Wang . . . 4720 1 5 Fang-Min Lin . . . 4720 1 6 Atsuko Horiuchi . . . 4720 1 7 Paul Greengard . . . 4720 1 8 Angus Nairn . C. . 4720 1 9 Ming-Shi Shiao . . . 4720 1 10 Ta-Hsien Lin . . . 4720 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heteronuclear NMR' 4720 1 inhibitor-2 4720 1 phosphorylation 4720 1 'protein phosphatase-1' 4720 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_I2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_I2 _Assembly.Entry_ID 4720 _Assembly.ID 1 _Assembly.Name 'Inhibitor-2 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4720 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 inhibitor-2 1 $inhibitor-2 . . . native . . . . . 4720 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID I2 abbreviation 4720 1 'Inhibitor-2 monomer' system 4720 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_inhibitor-2 _Entity.Sf_category entity _Entity.Sf_framecode inhibitor-2 _Entity.Entry_ID 4720 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Inhibitor-2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAASTASHRPIKGILKNKTS TTSSMVASAEQPRGNVDEEL SKKSQKWDEMNILATYHPAD KDYGLMKIDEPSTPYHSMMG DDEDACSDTEATEAMAPDIL ARKLAAAEGLEPKYRIQEQE SSGEEDSDLSPEEREKKRQF EMKRKLHYNEGLNIKLARQL ISKDLHDDDEDEE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 173 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15179 . Inhibitor-2 . . . . . 91.33 159 99.37 99.37 1.16e-109 . . . . 4720 1 2 no DBJ BAI46858 . "protein phosphatase 1, regulatory (inhibitor) subunit 2 [synthetic construct]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 3 no EMBL CAA55475 . "inhibitor 2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 4 no EMBL CAA82754 . "IPP-2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 5 no EMBL CAB41680 . "inhibitor 2 of protein phosphatase 1 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 6 no GB AAC51206 . "protein phosphatase inhibitor 2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 7 no GB AAH07655 . "Protein phosphatase 1, regulatory (inhibitor) subunit 2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 8 no GB AAL48322 . "inhibitor-2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 9 no GB ABW23430 . "cardiac inhibitor-2 [Canis lupus familiaris]" . . . . . 100.00 205 99.42 99.42 3.43e-121 . . . . 4720 1 10 no GB ADQ32784 . "protein phosphatase 1, regulatory (inhibitor) subunit 2 [synthetic construct]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 11 no PRF 2007253A . "protein phosphatase inhibitor 2" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 12 no REF NP_001247610 . "protein phosphatase inhibitor 2 [Macaca mulatta]" . . . . . 100.00 205 98.27 99.42 5.04e-120 . . . . 4720 1 13 no REF NP_001278433 . "protein phosphatase inhibitor 2 isoform 1 [Homo sapiens]" . . . . . 100.58 206 98.85 99.43 1.70e-119 . . . . 4720 1 14 no REF NP_001303254 . "protein phosphatase inhibitor 2 isoform 4 [Homo sapiens]" . . . . . 57.80 185 98.00 98.00 9.14e-60 . . . . 4720 1 15 no REF NP_006232 . "protein phosphatase inhibitor 2 isoform 2 [Homo sapiens]" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 16 no REF XP_002814482 . "PREDICTED: protein phosphatase inhibitor 2 [Pongo abelii]" . . . . . 100.00 205 98.84 99.42 9.36e-121 . . . . 4720 1 17 no SP P41236 . "RecName: Full=Protein phosphatase inhibitor 2; Short=IPP-2" . . . . . 100.00 205 100.00 100.00 6.44e-122 . . . . 4720 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID I2 abbreviation 4720 1 Inhibitor-2 common 4720 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4720 1 2 . ALA . 4720 1 3 . ALA . 4720 1 4 . SER . 4720 1 5 . THR . 4720 1 6 . ALA . 4720 1 7 . SER . 4720 1 8 . HIS . 4720 1 9 . ARG . 4720 1 10 . PRO . 4720 1 11 . ILE . 4720 1 12 . LYS . 4720 1 13 . GLY . 4720 1 14 . ILE . 4720 1 15 . LEU . 4720 1 16 . LYS . 4720 1 17 . ASN . 4720 1 18 . LYS . 4720 1 19 . THR . 4720 1 20 . SER . 4720 1 21 . THR . 4720 1 22 . THR . 4720 1 23 . SER . 4720 1 24 . SER . 4720 1 25 . MET . 4720 1 26 . VAL . 4720 1 27 . ALA . 4720 1 28 . SER . 4720 1 29 . ALA . 4720 1 30 . GLU . 4720 1 31 . GLN . 4720 1 32 . PRO . 4720 1 33 . ARG . 4720 1 34 . GLY . 4720 1 35 . ASN . 4720 1 36 . VAL . 4720 1 37 . ASP . 4720 1 38 . GLU . 4720 1 39 . GLU . 4720 1 40 . LEU . 4720 1 41 . SER . 4720 1 42 . LYS . 4720 1 43 . LYS . 4720 1 44 . SER . 4720 1 45 . GLN . 4720 1 46 . LYS . 4720 1 47 . TRP . 4720 1 48 . ASP . 4720 1 49 . GLU . 4720 1 50 . MET . 4720 1 51 . ASN . 4720 1 52 . ILE . 4720 1 53 . LEU . 4720 1 54 . ALA . 4720 1 55 . THR . 4720 1 56 . TYR . 4720 1 57 . HIS . 4720 1 58 . PRO . 4720 1 59 . ALA . 4720 1 60 . ASP . 4720 1 61 . LYS . 4720 1 62 . ASP . 4720 1 63 . TYR . 4720 1 64 . GLY . 4720 1 65 . LEU . 4720 1 66 . MET . 4720 1 67 . LYS . 4720 1 68 . ILE . 4720 1 69 . ASP . 4720 1 70 . GLU . 4720 1 71 . PRO . 4720 1 72 . SER . 4720 1 73 . THR . 4720 1 74 . PRO . 4720 1 75 . TYR . 4720 1 76 . HIS . 4720 1 77 . SER . 4720 1 78 . MET . 4720 1 79 . MET . 4720 1 80 . GLY . 4720 1 81 . ASP . 4720 1 82 . ASP . 4720 1 83 . GLU . 4720 1 84 . ASP . 4720 1 85 . ALA . 4720 1 86 . CYS . 4720 1 87 . SER . 4720 1 88 . ASP . 4720 1 89 . THR . 4720 1 90 . GLU . 4720 1 91 . ALA . 4720 1 92 . THR . 4720 1 93 . GLU . 4720 1 94 . ALA . 4720 1 95 . MET . 4720 1 96 . ALA . 4720 1 97 . PRO . 4720 1 98 . ASP . 4720 1 99 . ILE . 4720 1 100 . LEU . 4720 1 101 . ALA . 4720 1 102 . ARG . 4720 1 103 . LYS . 4720 1 104 . LEU . 4720 1 105 . ALA . 4720 1 106 . ALA . 4720 1 107 . ALA . 4720 1 108 . GLU . 4720 1 109 . GLY . 4720 1 110 . LEU . 4720 1 111 . GLU . 4720 1 112 . PRO . 4720 1 113 . LYS . 4720 1 114 . TYR . 4720 1 115 . ARG . 4720 1 116 . ILE . 4720 1 117 . GLN . 4720 1 118 . GLU . 4720 1 119 . GLN . 4720 1 120 . GLU . 4720 1 121 . SER . 4720 1 122 . SER . 4720 1 123 . GLY . 4720 1 124 . GLU . 4720 1 125 . GLU . 4720 1 126 . ASP . 4720 1 127 . SER . 4720 1 128 . ASP . 4720 1 129 . LEU . 4720 1 130 . SER . 4720 1 131 . PRO . 4720 1 132 . GLU . 4720 1 133 . GLU . 4720 1 134 . ARG . 4720 1 135 . GLU . 4720 1 136 . LYS . 4720 1 137 . LYS . 4720 1 138 . ARG . 4720 1 139 . GLN . 4720 1 140 . PHE . 4720 1 141 . GLU . 4720 1 142 . MET . 4720 1 143 . LYS . 4720 1 144 . ARG . 4720 1 145 . LYS . 4720 1 146 . LEU . 4720 1 147 . HIS . 4720 1 148 . TYR . 4720 1 149 . ASN . 4720 1 150 . GLU . 4720 1 151 . GLY . 4720 1 152 . LEU . 4720 1 153 . ASN . 4720 1 154 . ILE . 4720 1 155 . LYS . 4720 1 156 . LEU . 4720 1 157 . ALA . 4720 1 158 . ARG . 4720 1 159 . GLN . 4720 1 160 . LEU . 4720 1 161 . ILE . 4720 1 162 . SER . 4720 1 163 . LYS . 4720 1 164 . ASP . 4720 1 165 . LEU . 4720 1 166 . HIS . 4720 1 167 . ASP . 4720 1 168 . ASP . 4720 1 169 . ASP . 4720 1 170 . GLU . 4720 1 171 . ASP . 4720 1 172 . GLU . 4720 1 173 . GLU . 4720 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4720 1 . ALA 2 2 4720 1 . ALA 3 3 4720 1 . SER 4 4 4720 1 . THR 5 5 4720 1 . ALA 6 6 4720 1 . SER 7 7 4720 1 . HIS 8 8 4720 1 . ARG 9 9 4720 1 . PRO 10 10 4720 1 . ILE 11 11 4720 1 . LYS 12 12 4720 1 . GLY 13 13 4720 1 . ILE 14 14 4720 1 . LEU 15 15 4720 1 . LYS 16 16 4720 1 . ASN 17 17 4720 1 . LYS 18 18 4720 1 . THR 19 19 4720 1 . SER 20 20 4720 1 . THR 21 21 4720 1 . THR 22 22 4720 1 . SER 23 23 4720 1 . SER 24 24 4720 1 . MET 25 25 4720 1 . VAL 26 26 4720 1 . ALA 27 27 4720 1 . SER 28 28 4720 1 . ALA 29 29 4720 1 . GLU 30 30 4720 1 . GLN 31 31 4720 1 . PRO 32 32 4720 1 . ARG 33 33 4720 1 . GLY 34 34 4720 1 . ASN 35 35 4720 1 . VAL 36 36 4720 1 . ASP 37 37 4720 1 . GLU 38 38 4720 1 . GLU 39 39 4720 1 . LEU 40 40 4720 1 . SER 41 41 4720 1 . LYS 42 42 4720 1 . LYS 43 43 4720 1 . SER 44 44 4720 1 . GLN 45 45 4720 1 . LYS 46 46 4720 1 . TRP 47 47 4720 1 . ASP 48 48 4720 1 . GLU 49 49 4720 1 . MET 50 50 4720 1 . ASN 51 51 4720 1 . ILE 52 52 4720 1 . LEU 53 53 4720 1 . ALA 54 54 4720 1 . THR 55 55 4720 1 . TYR 56 56 4720 1 . HIS 57 57 4720 1 . PRO 58 58 4720 1 . ALA 59 59 4720 1 . ASP 60 60 4720 1 . LYS 61 61 4720 1 . ASP 62 62 4720 1 . TYR 63 63 4720 1 . GLY 64 64 4720 1 . LEU 65 65 4720 1 . MET 66 66 4720 1 . LYS 67 67 4720 1 . ILE 68 68 4720 1 . ASP 69 69 4720 1 . GLU 70 70 4720 1 . PRO 71 71 4720 1 . SER 72 72 4720 1 . THR 73 73 4720 1 . PRO 74 74 4720 1 . TYR 75 75 4720 1 . HIS 76 76 4720 1 . SER 77 77 4720 1 . MET 78 78 4720 1 . MET 79 79 4720 1 . GLY 80 80 4720 1 . ASP 81 81 4720 1 . ASP 82 82 4720 1 . GLU 83 83 4720 1 . ASP 84 84 4720 1 . ALA 85 85 4720 1 . CYS 86 86 4720 1 . SER 87 87 4720 1 . ASP 88 88 4720 1 . THR 89 89 4720 1 . GLU 90 90 4720 1 . ALA 91 91 4720 1 . THR 92 92 4720 1 . GLU 93 93 4720 1 . ALA 94 94 4720 1 . MET 95 95 4720 1 . ALA 96 96 4720 1 . PRO 97 97 4720 1 . ASP 98 98 4720 1 . ILE 99 99 4720 1 . LEU 100 100 4720 1 . ALA 101 101 4720 1 . ARG 102 102 4720 1 . LYS 103 103 4720 1 . LEU 104 104 4720 1 . ALA 105 105 4720 1 . ALA 106 106 4720 1 . ALA 107 107 4720 1 . GLU 108 108 4720 1 . GLY 109 109 4720 1 . LEU 110 110 4720 1 . GLU 111 111 4720 1 . PRO 112 112 4720 1 . LYS 113 113 4720 1 . TYR 114 114 4720 1 . ARG 115 115 4720 1 . ILE 116 116 4720 1 . GLN 117 117 4720 1 . GLU 118 118 4720 1 . GLN 119 119 4720 1 . GLU 120 120 4720 1 . SER 121 121 4720 1 . SER 122 122 4720 1 . GLY 123 123 4720 1 . GLU 124 124 4720 1 . GLU 125 125 4720 1 . ASP 126 126 4720 1 . SER 127 127 4720 1 . ASP 128 128 4720 1 . LEU 129 129 4720 1 . SER 130 130 4720 1 . PRO 131 131 4720 1 . GLU 132 132 4720 1 . GLU 133 133 4720 1 . ARG 134 134 4720 1 . GLU 135 135 4720 1 . LYS 136 136 4720 1 . LYS 137 137 4720 1 . ARG 138 138 4720 1 . GLN 139 139 4720 1 . PHE 140 140 4720 1 . GLU 141 141 4720 1 . MET 142 142 4720 1 . LYS 143 143 4720 1 . ARG 144 144 4720 1 . LYS 145 145 4720 1 . LEU 146 146 4720 1 . HIS 147 147 4720 1 . TYR 148 148 4720 1 . ASN 149 149 4720 1 . GLU 150 150 4720 1 . GLY 151 151 4720 1 . LEU 152 152 4720 1 . ASN 153 153 4720 1 . ILE 154 154 4720 1 . LYS 155 155 4720 1 . LEU 156 156 4720 1 . ALA 157 157 4720 1 . ARG 158 158 4720 1 . GLN 159 159 4720 1 . LEU 160 160 4720 1 . ILE 161 161 4720 1 . SER 162 162 4720 1 . LYS 163 163 4720 1 . ASP 164 164 4720 1 . LEU 165 165 4720 1 . HIS 166 166 4720 1 . ASP 167 167 4720 1 . ASP 168 168 4720 1 . ASP 169 169 4720 1 . GLU 170 170 4720 1 . ASP 171 171 4720 1 . GLU 172 172 4720 1 . GLU 173 173 4720 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4720 _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 $inhibitor-2 . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli BL21 . . . . . . . . . . . . . pET3a . . . . . . 4720 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 4720 _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 $inhibitor-2 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pET-3a . . . . . . 4720 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample-1 _Sample.Sf_category sample _Sample.Sf_framecode sample-1 _Sample.Entry_ID 4720 _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 Inhibitor-2 '[U-13C; U-15N]' . . 1 $inhibitor-2 . . 1.6 . . mM . . . . 4720 1 stop_ save_ ####################### # Sample conditions # ####################### save_exp1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode exp1 _Sample_condition_list.Entry_ID 4720 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 4720 1 temperature 296 0.5 K 4720 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4720 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4720 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker Avance . 500 . . . 4720 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4720 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4720 _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 . . . . . . . . . 4720 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4720 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4720 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_cs_set1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode cs_set1 _Assigned_chem_shift_list.Entry_ID 4720 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $exp1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample-1 . 4720 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 2 2 ALA HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 2 . 1 1 2 2 ALA HB1 H 1 1.462 0.02 . 1 . . . . . . . . 4720 1 3 . 1 1 2 2 ALA HB2 H 1 1.462 0.02 . 1 . . . . . . . . 4720 1 4 . 1 1 2 2 ALA HB3 H 1 1.462 0.02 . 1 . . . . . . . . 4720 1 5 . 1 1 2 2 ALA C C 13 173.418 0.15 . 1 . . . . . . . . 4720 1 6 . 1 1 2 2 ALA CA C 13 51.562 0.15 . 1 . . . . . . . . 4720 1 7 . 1 1 2 2 ALA CB C 13 19.252 0.15 . 1 . . . . . . . . 4720 1 8 . 1 1 3 3 ALA H H 1 8.600 0.02 . 1 . . . . . . . . 4720 1 9 . 1 1 3 3 ALA HA H 1 4.314 0.02 . 1 . . . . . . . . 4720 1 10 . 1 1 3 3 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 11 . 1 1 3 3 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 12 . 1 1 3 3 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 13 . 1 1 3 3 ALA C C 13 177.659 0.15 . 1 . . . . . . . . 4720 1 14 . 1 1 3 3 ALA CA C 13 52.328 0.15 . 1 . . . . . . . . 4720 1 15 . 1 1 3 3 ALA CB C 13 19.252 0.15 . 1 . . . . . . . . 4720 1 16 . 1 1 3 3 ALA N N 15 123.690 0.15 . 1 . . . . . . . . 4720 1 17 . 1 1 4 4 SER H H 1 8.447 0.02 . 1 . . . . . . . . 4720 1 18 . 1 1 4 4 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 19 . 1 1 4 4 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 20 . 1 1 4 4 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 21 . 1 1 4 4 SER C C 13 174.943 0.15 . 1 . . . . . . . . 4720 1 22 . 1 1 4 4 SER CA C 13 58.125 0.15 . 1 . . . . . . . . 4720 1 23 . 1 1 4 4 SER CB C 13 63.568 0.15 . 1 . . . . . . . . 4720 1 24 . 1 1 4 4 SER N N 15 115.627 0.15 . 1 . . . . . . . . 4720 1 25 . 1 1 5 5 THR H H 1 8.166 0.02 . 1 . . . . . . . . 4720 1 26 . 1 1 5 5 THR HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 27 . 1 1 5 5 THR HB H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 28 . 1 1 5 5 THR C C 13 174.289 0.15 . 1 . . . . . . . . 4720 1 29 . 1 1 5 5 THR CA C 13 61.625 0.15 . 1 . . . . . . . . 4720 1 30 . 1 1 5 5 THR CB C 13 69.471 0.15 . 1 . . . . . . . . 4720 1 31 . 1 1 5 5 THR N N 15 115.814 0.15 . 1 . . . . . . . . 4720 1 32 . 1 1 6 6 ALA H H 1 8.207 0.02 . 1 . . . . . . . . 4720 1 33 . 1 1 6 6 ALA HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 34 . 1 1 6 6 ALA HB1 H 1 1.306 0.02 . 1 . . . . . . . . 4720 1 35 . 1 1 6 6 ALA HB2 H 1 1.306 0.02 . 1 . . . . . . . . 4720 1 36 . 1 1 6 6 ALA HB3 H 1 1.306 0.02 . 1 . . . . . . . . 4720 1 37 . 1 1 6 6 ALA C C 13 177.542 0.15 . 1 . . . . . . . . 4720 1 38 . 1 1 6 6 ALA CA C 13 52.546 0.15 . 1 . . . . . . . . 4720 1 39 . 1 1 6 6 ALA CB C 13 19.106 0.15 . 1 . . . . . . . . 4720 1 40 . 1 1 6 6 ALA N N 15 126.034 0.15 . 1 . . . . . . . . 4720 1 41 . 1 1 7 7 SER H H 1 8.142 0.02 . 1 . . . . . . . . 4720 1 42 . 1 1 7 7 SER HA H 1 4.311 0.02 . 1 . . . . . . . . 4720 1 43 . 1 1 7 7 SER HB2 H 1 3.741 0.02 . 1 . . . . . . . . 4720 1 44 . 1 1 7 7 SER HB3 H 1 3.741 0.02 . 1 . . . . . . . . 4720 1 45 . 1 1 7 7 SER C C 13 174.188 0.15 . 1 . . . . . . . . 4720 1 46 . 1 1 7 7 SER CA C 13 58.234 0.15 . 1 . . . . . . . . 4720 1 47 . 1 1 7 7 SER CB C 13 63.495 0.15 . 1 . . . . . . . . 4720 1 48 . 1 1 7 7 SER N N 15 114.689 0.15 . 1 . . . . . . . . 4720 1 49 . 1 1 8 8 HIS H H 1 8.383 0.02 . 1 . . . . . . . . 4720 1 50 . 1 1 8 8 HIS HA H 1 4.627 0.02 . 1 . . . . . . . . 4720 1 51 . 1 1 8 8 HIS HB2 H 1 3.142 0.02 . 1 . . . . . . . . 4720 1 52 . 1 1 8 8 HIS HB3 H 1 3.142 0.02 . 1 . . . . . . . . 4720 1 53 . 1 1 8 8 HIS C C 13 173.999 0.15 . 1 . . . . . . . . 4720 1 54 . 1 1 8 8 HIS CA C 13 55.063 0.15 . 1 . . . . . . . . 4720 1 55 . 1 1 8 8 HIS CB C 13 28.946 0.15 . 1 . . . . . . . . 4720 1 56 . 1 1 8 8 HIS N N 15 120.315 0.15 . 1 . . . . . . . . 4720 1 57 . 1 1 9 9 ARG H H 1 8.295 0.02 . 1 . . . . . . . . 4720 1 58 . 1 1 9 9 ARG HA H 1 4.546 0.02 . 1 . . . . . . . . 4720 1 59 . 1 1 9 9 ARG C C 13 173.970 0.15 . 1 . . . . . . . . 4720 1 60 . 1 1 9 9 ARG CA C 13 54.078 0.15 . 1 . . . . . . . . 4720 1 61 . 1 1 9 9 ARG CB C 13 29.893 0.15 . 1 . . . . . . . . 4720 1 62 . 1 1 9 9 ARG N N 15 123.503 0.15 . 1 . . . . . . . . 4720 1 63 . 1 1 10 10 PRO HA H 1 4.395 0.02 . 1 . . . . . . . . 4720 1 64 . 1 1 10 10 PRO HB2 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 65 . 1 1 10 10 PRO HB3 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 66 . 1 1 10 10 PRO HG2 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 67 . 1 1 10 10 PRO HG3 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 68 . 1 1 10 10 PRO C C 13 176.599 0.15 . 1 . . . . . . . . 4720 1 69 . 1 1 10 10 PRO CA C 13 62.938 0.15 . 1 . . . . . . . . 4720 1 70 . 1 1 10 10 PRO CB C 13 31.788 0.15 . 1 . . . . . . . . 4720 1 71 . 1 1 11 11 ILE H H 1 8.230 0.02 . 1 . . . . . . . . 4720 1 72 . 1 1 11 11 ILE HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 73 . 1 1 11 11 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 74 . 1 1 11 11 ILE C C 13 176.192 0.15 . 1 . . . . . . . . 4720 1 75 . 1 1 11 11 ILE CA C 13 60.969 0.15 . 1 . . . . . . . . 4720 1 76 . 1 1 11 11 ILE CB C 13 38.640 0.15 . 1 . . . . . . . . 4720 1 77 . 1 1 11 11 ILE N N 15 121.628 0.15 . 1 . . . . . . . . 4720 1 78 . 1 1 12 12 LYS H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 79 . 1 1 12 12 LYS HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 80 . 1 1 12 12 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 81 . 1 1 12 12 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 82 . 1 1 12 12 LYS C C 13 176.626 0.15 . 1 . . . . . . . . 4720 1 83 . 1 1 12 12 LYS CA C 13 56.265 0.15 . 1 . . . . . . . . 4720 1 84 . 1 1 12 12 LYS CB C 13 33.028 0.15 . 1 . . . . . . . . 4720 1 85 . 1 1 12 12 LYS N N 15 125.378 0.15 . 1 . . . . . . . . 4720 1 86 . 1 1 13 13 GLY H H 1 8.324 0.02 . 1 . . . . . . . . 4720 1 87 . 1 1 13 13 GLY HA2 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 88 . 1 1 13 13 GLY HA3 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 89 . 1 1 13 13 GLY C C 13 173.694 0.15 . 1 . . . . . . . . 4720 1 90 . 1 1 13 13 GLY CA C 13 45.109 0.15 . 1 . . . . . . . . 4720 1 91 . 1 1 13 13 GLY N N 15 110.751 0.15 . 1 . . . . . . . . 4720 1 92 . 1 1 14 14 ILE H H 1 7.913 0.02 . 1 . . . . . . . . 4720 1 93 . 1 1 14 14 ILE HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 94 . 1 1 14 14 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 95 . 1 1 14 14 ILE C C 13 176.279 0.15 . 1 . . . . . . . . 4720 1 96 . 1 1 14 14 ILE CA C 13 60.969 0.15 . 1 . . . . . . . . 4720 1 97 . 1 1 14 14 ILE CB C 13 38.567 0.15 . 1 . . . . . . . . 4720 1 98 . 1 1 14 14 ILE N N 15 119.752 0.15 . 1 . . . . . . . . 4720 1 99 . 1 1 15 15 LEU H H 1 8.254 0.02 . 1 . . . . . . . . 4720 1 100 . 1 1 15 15 LEU HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 101 . 1 1 15 15 LEU HB2 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 102 . 1 1 15 15 LEU HB3 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 103 . 1 1 15 15 LEU C C 13 176.962 0.15 . 1 . . . . . . . . 4720 1 104 . 1 1 15 15 LEU CA C 13 54.953 0.15 . 1 . . . . . . . . 4720 1 105 . 1 1 15 15 LEU CB C 13 41.920 0.15 . 1 . . . . . . . . 4720 1 106 . 1 1 15 15 LEU N N 15 126.128 0.15 . 1 . . . . . . . . 4720 1 107 . 1 1 16 16 LYS H H 1 8.242 0.02 . 1 . . . . . . . . 4720 1 108 . 1 1 16 16 LYS HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 109 . 1 1 16 16 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 110 . 1 1 16 16 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 111 . 1 1 16 16 LYS C C 13 176.046 0.15 . 1 . . . . . . . . 4720 1 112 . 1 1 16 16 LYS CA C 13 56.156 0.15 . 1 . . . . . . . . 4720 1 113 . 1 1 16 16 LYS CB C 13 32.663 0.15 . 1 . . . . . . . . 4720 1 114 . 1 1 16 16 LYS N N 15 122.471 0.15 . 1 . . . . . . . . 4720 1 115 . 1 1 17 17 ASN H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 116 . 1 1 17 17 ASN HA H 1 4.587 0.02 . 1 . . . . . . . . 4720 1 117 . 1 1 17 17 ASN HB2 H 1 2.752 0.02 . 1 . . . . . . . . 4720 1 118 . 1 1 17 17 ASN HB3 H 1 2.752 0.02 . 1 . . . . . . . . 4720 1 119 . 1 1 17 17 ASN C C 13 175.001 0.15 . 1 . . . . . . . . 4720 1 120 . 1 1 17 17 ASN CA C 13 52.984 0.15 . 1 . . . . . . . . 4720 1 121 . 1 1 17 17 ASN CB C 13 38.786 0.15 . 1 . . . . . . . . 4720 1 122 . 1 1 17 17 ASN N N 15 119.659 0.15 . 1 . . . . . . . . 4720 1 123 . 1 1 18 18 LYS H H 1 8.295 0.02 . 1 . . . . . . . . 4720 1 124 . 1 1 18 18 LYS HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 125 . 1 1 18 18 LYS HB2 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 126 . 1 1 18 18 LYS HB3 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 127 . 1 1 18 18 LYS C C 13 176.671 0.15 . 1 . . . . . . . . 4720 1 128 . 1 1 18 18 LYS CA C 13 56.484 0.15 . 1 . . . . . . . . 4720 1 129 . 1 1 18 18 LYS CB C 13 32.882 0.15 . 1 . . . . . . . . 4720 1 130 . 1 1 18 18 LYS N N 15 121.721 0.15 . 1 . . . . . . . . 4720 1 131 . 1 1 19 19 THR H H 1 8.148 0.02 . 1 . . . . . . . . 4720 1 132 . 1 1 19 19 THR HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 133 . 1 1 19 19 THR C C 13 174.449 0.15 . 1 . . . . . . . . 4720 1 134 . 1 1 19 19 THR CA C 13 61.735 0.15 . 1 . . . . . . . . 4720 1 135 . 1 1 19 19 THR CB C 13 69.617 0.15 . 1 . . . . . . . . 4720 1 136 . 1 1 19 19 THR N N 15 115.064 0.15 . 1 . . . . . . . . 4720 1 137 . 1 1 20 20 SER H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 138 . 1 1 20 20 SER HA H 1 4.470 0.02 . 1 . . . . . . . . 4720 1 139 . 1 1 20 20 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 140 . 1 1 20 20 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 141 . 1 1 20 20 SER C C 13 174.689 0.15 . 1 . . . . . . . . 4720 1 142 . 1 1 20 20 SER CA C 13 58.276 0.15 . 1 . . . . . . . . 4720 1 143 . 1 1 20 20 SER CB C 13 63.591 0.15 . 1 . . . . . . . . 4720 1 144 . 1 1 20 20 SER N N 15 118.065 0.15 . 1 . . . . . . . . 4720 1 145 . 1 1 21 21 THR H H 1 8.236 0.02 . 1 . . . . . . . . 4720 1 146 . 1 1 21 21 THR HA H 1 4.392 0.02 . 1 . . . . . . . . 4720 1 147 . 1 1 21 21 THR HB H 1 4.242 0.02 . 1 . . . . . . . . 4720 1 148 . 1 1 21 21 THR HG21 H 1 1.167 0.02 . 1 . . . . . . . . 4720 1 149 . 1 1 21 21 THR HG22 H 1 1.167 0.02 . 1 . . . . . . . . 4720 1 150 . 1 1 21 21 THR HG23 H 1 1.167 0.02 . 1 . . . . . . . . 4720 1 151 . 1 1 21 21 THR C C 13 174.696 0.15 . 1 . . . . . . . . 4720 1 152 . 1 1 21 21 THR CA C 13 61.735 0.15 . 1 . . . . . . . . 4720 1 153 . 1 1 21 21 THR CB C 13 69.471 0.15 . 1 . . . . . . . . 4720 1 154 . 1 1 21 21 THR N N 15 115.814 0.15 . 1 . . . . . . . . 4720 1 155 . 1 1 22 22 THR H H 1 8.119 0.02 . 1 . . . . . . . . 4720 1 156 . 1 1 22 22 THR HA H 1 4.343 0.02 . 1 . . . . . . . . 4720 1 157 . 1 1 22 22 THR HB H 1 4.199 0.02 . 1 . . . . . . . . 4720 1 158 . 1 1 22 22 THR HG21 H 1 1.156 0.02 . 1 . . . . . . . . 4720 1 159 . 1 1 22 22 THR HG22 H 1 1.156 0.02 . 1 . . . . . . . . 4720 1 160 . 1 1 22 22 THR HG23 H 1 1.156 0.02 . 1 . . . . . . . . 4720 1 161 . 1 1 22 22 THR C C 13 174.798 0.15 . 1 . . . . . . . . 4720 1 162 . 1 1 22 22 THR CA C 13 61.844 0.15 . 1 . . . . . . . . 4720 1 163 . 1 1 22 22 THR CB C 13 69.471 0.15 . 1 . . . . . . . . 4720 1 164 . 1 1 22 22 THR N N 15 115.908 0.15 . 1 . . . . . . . . 4720 1 165 . 1 1 23 23 SER H H 1 8.283 0.02 . 1 . . . . . . . . 4720 1 166 . 1 1 23 23 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 167 . 1 1 23 23 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 168 . 1 1 23 23 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 169 . 1 1 23 23 SER C C 13 174.598 0.15 . 1 . . . . . . . . 4720 1 170 . 1 1 23 23 SER CA C 13 58.453 0.15 . 1 . . . . . . . . 4720 1 171 . 1 1 23 23 SER CB C 13 63.568 0.15 . 1 . . . . . . . . 4720 1 172 . 1 1 23 23 SER N N 15 118.065 0.15 . 1 . . . . . . . . 4720 1 173 . 1 1 24 24 SER H H 1 8.283 0.02 . 1 . . . . . . . . 4720 1 174 . 1 1 24 24 SER HA H 1 4.387 0.02 . 1 . . . . . . . . 4720 1 175 . 1 1 24 24 SER HB2 H 1 3.817 0.02 . 1 . . . . . . . . 4720 1 176 . 1 1 24 24 SER HB3 H 1 3.817 0.02 . 1 . . . . . . . . 4720 1 177 . 1 1 24 24 SER C C 13 174.318 0.15 . 1 . . . . . . . . 4720 1 178 . 1 1 24 24 SER CA C 13 58.453 0.15 . 1 . . . . . . . . 4720 1 179 . 1 1 24 24 SER CB C 13 63.568 0.15 . 1 . . . . . . . . 4720 1 180 . 1 1 24 24 SER N N 15 117.596 0.15 . 1 . . . . . . . . 4720 1 181 . 1 1 25 25 MET H H 1 8.242 0.02 . 1 . . . . . . . . 4720 1 182 . 1 1 25 25 MET HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 183 . 1 1 25 25 MET HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 184 . 1 1 25 25 MET HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 185 . 1 1 25 25 MET C C 13 175.989 0.15 . 1 . . . . . . . . 4720 1 186 . 1 1 25 25 MET CA C 13 55.609 0.15 . 1 . . . . . . . . 4720 1 187 . 1 1 25 25 MET CB C 13 32.444 0.15 . 1 . . . . . . . . 4720 1 188 . 1 1 25 25 MET N N 15 122.096 0.15 . 1 . . . . . . . . 4720 1 189 . 1 1 26 26 VAL H H 1 7.972 0.02 . 1 . . . . . . . . 4720 1 190 . 1 1 26 26 VAL HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 191 . 1 1 26 26 VAL HB H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 192 . 1 1 26 26 VAL C C 13 175.727 0.15 . 1 . . . . . . . . 4720 1 193 . 1 1 26 26 VAL CA C 13 62.172 0.15 . 1 . . . . . . . . 4720 1 194 . 1 1 26 26 VAL CB C 13 32.590 0.15 . 1 . . . . . . . . 4720 1 195 . 1 1 26 26 VAL N N 15 121.065 0.15 . 1 . . . . . . . . 4720 1 196 . 1 1 27 27 ALA H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 197 . 1 1 27 27 ALA HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 198 . 1 1 27 27 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 199 . 1 1 27 27 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 200 . 1 1 27 27 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 201 . 1 1 27 27 ALA C C 13 177.610 0.15 . 1 . . . . . . . . 4720 1 202 . 1 1 27 27 ALA CA C 13 52.437 0.15 . 1 . . . . . . . . 4720 1 203 . 1 1 27 27 ALA CB C 13 19.033 0.15 . 1 . . . . . . . . 4720 1 204 . 1 1 27 27 ALA N N 15 127.722 0.15 . 1 . . . . . . . . 4720 1 205 . 1 1 28 28 SER H H 1 8.171 0.02 . 1 . . . . . . . . 4720 1 206 . 1 1 28 28 SER HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 207 . 1 1 28 28 SER HB2 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 208 . 1 1 28 28 SER HB3 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 209 . 1 1 28 28 SER C C 13 174.289 0.15 . 1 . . . . . . . . 4720 1 210 . 1 1 28 28 SER CA C 13 58.234 0.15 . 1 . . . . . . . . 4720 1 211 . 1 1 28 28 SER CB C 13 63.568 0.15 . 1 . . . . . . . . 4720 1 212 . 1 1 28 28 SER N N 15 115.064 0.15 . 1 . . . . . . . . 4720 1 213 . 1 1 29 29 ALA H H 1 8.265 0.02 . 1 . . . . . . . . 4720 1 214 . 1 1 29 29 ALA HA H 1 4.274 0.02 . 1 . . . . . . . . 4720 1 215 . 1 1 29 29 ALA HB1 H 1 1.337 0.02 . 1 . . . . . . . . 4720 1 216 . 1 1 29 29 ALA HB2 H 1 1.337 0.02 . 1 . . . . . . . . 4720 1 217 . 1 1 29 29 ALA HB3 H 1 1.337 0.02 . 1 . . . . . . . . 4720 1 218 . 1 1 29 29 ALA C C 13 177.470 0.15 . 1 . . . . . . . . 4720 1 219 . 1 1 29 29 ALA CA C 13 52.437 0.15 . 1 . . . . . . . . 4720 1 220 . 1 1 29 29 ALA CB C 13 19.106 0.15 . 1 . . . . . . . . 4720 1 221 . 1 1 29 29 ALA N N 15 125.625 0.15 . 1 . . . . . . . . 4720 1 222 . 1 1 30 30 GLU H H 1 8.183 0.02 . 1 . . . . . . . . 4720 1 223 . 1 1 30 30 GLU HA H 1 4.210 0.02 . 1 . . . . . . . . 4720 1 224 . 1 1 30 30 GLU HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 225 . 1 1 30 30 GLU HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 226 . 1 1 30 30 GLU C C 13 176.105 0.15 . 1 . . . . . . . . 4720 1 227 . 1 1 30 30 GLU CA C 13 56.156 0.15 . 1 . . . . . . . . 4720 1 228 . 1 1 30 30 GLU CB C 13 30.112 0.15 . 1 . . . . . . . . 4720 1 229 . 1 1 30 30 GLU N N 15 119.471 0.15 . 1 . . . . . . . . 4720 1 230 . 1 1 31 31 GLN H H 1 8.236 0.02 . 1 . . . . . . . . 4720 1 231 . 1 1 31 31 GLN HA H 1 4.530 0.02 . 1 . . . . . . . . 4720 1 232 . 1 1 31 31 GLN C C 13 173.781 0.15 . 1 . . . . . . . . 4720 1 233 . 1 1 31 31 GLN CA C 13 53.422 0.15 . 1 . . . . . . . . 4720 1 234 . 1 1 31 31 GLN CB C 13 28.727 0.15 . 1 . . . . . . . . 4720 1 235 . 1 1 31 31 GLN N N 15 122.378 0.15 . 1 . . . . . . . . 4720 1 236 . 1 1 32 32 PRO HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 237 . 1 1 32 32 PRO HB2 H 1 2.244 0.02 . 1 . . . . . . . . 4720 1 238 . 1 1 32 32 PRO HB3 H 1 2.244 0.02 . 1 . . . . . . . . 4720 1 239 . 1 1 32 32 PRO HG2 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 240 . 1 1 32 32 PRO HG3 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 241 . 1 1 32 32 PRO C C 13 176.874 0.15 . 1 . . . . . . . . 4720 1 242 . 1 1 32 32 PRO CA C 13 63.047 0.15 . 1 . . . . . . . . 4720 1 243 . 1 1 32 32 PRO CB C 13 31.861 0.15 . 1 . . . . . . . . 4720 1 244 . 1 1 33 33 ARG H H 1 8.453 0.02 . 1 . . . . . . . . 4720 1 245 . 1 1 33 33 ARG HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 246 . 1 1 33 33 ARG HB2 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 247 . 1 1 33 33 ARG HB3 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 248 . 1 1 33 33 ARG C C 13 176.744 0.15 . 1 . . . . . . . . 4720 1 249 . 1 1 33 33 ARG CA C 13 55.937 0.15 . 1 . . . . . . . . 4720 1 250 . 1 1 33 33 ARG CB C 13 30.768 0.15 . 1 . . . . . . . . 4720 1 251 . 1 1 33 33 ARG N N 15 121.534 0.15 . 1 . . . . . . . . 4720 1 252 . 1 1 34 34 GLY H H 1 8.342 0.02 . 1 . . . . . . . . 4720 1 253 . 1 1 34 34 GLY HA2 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 254 . 1 1 34 34 GLY HA3 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 255 . 1 1 34 34 GLY C C 13 173.549 0.15 . 1 . . . . . . . . 4720 1 256 . 1 1 34 34 GLY CA C 13 44.999 0.15 . 1 . . . . . . . . 4720 1 257 . 1 1 34 34 GLY N N 15 109.439 0.15 . 1 . . . . . . . . 4720 1 258 . 1 1 35 35 ASN H H 1 8.336 0.02 . 1 . . . . . . . . 4720 1 259 . 1 1 35 35 ASN HA H 1 4.666 0.02 . 1 . . . . . . . . 4720 1 260 . 1 1 35 35 ASN HB2 H 1 2.712 0.02 . 1 . . . . . . . . 4720 1 261 . 1 1 35 35 ASN HB3 H 1 2.712 0.02 . 1 . . . . . . . . 4720 1 262 . 1 1 35 35 ASN C C 13 175.371 0.15 . 1 . . . . . . . . 4720 1 263 . 1 1 35 35 ASN CA C 13 53.093 0.15 . 1 . . . . . . . . 4720 1 264 . 1 1 35 35 ASN CB C 13 38.713 0.15 . 1 . . . . . . . . 4720 1 265 . 1 1 35 35 ASN N N 15 118.815 0.15 . 1 . . . . . . . . 4720 1 266 . 1 1 36 36 VAL H H 1 8.089 0.02 . 1 . . . . . . . . 4720 1 267 . 1 1 36 36 VAL HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 268 . 1 1 36 36 VAL HB H 1 2.048 0.02 . 1 . . . . . . . . 4720 1 269 . 1 1 36 36 VAL C C 13 175.872 0.15 . 1 . . . . . . . . 4720 1 270 . 1 1 36 36 VAL CA C 13 62.610 0.15 . 1 . . . . . . . . 4720 1 271 . 1 1 36 36 VAL CB C 13 32.444 0.15 . 1 . . . . . . . . 4720 1 272 . 1 1 36 36 VAL N N 15 120.127 0.15 . 1 . . . . . . . . 4720 1 273 . 1 1 37 37 ASP H H 1 8.283 0.02 . 1 . . . . . . . . 4720 1 274 . 1 1 37 37 ASP HA H 1 4.524 0.02 . 1 . . . . . . . . 4720 1 275 . 1 1 37 37 ASP HB2 H 1 2.556 0.02 . 1 . . . . . . . . 4720 1 276 . 1 1 37 37 ASP HB3 H 1 2.556 0.02 . 1 . . . . . . . . 4720 1 277 . 1 1 37 37 ASP C C 13 176.689 0.15 . 1 . . . . . . . . 4720 1 278 . 1 1 37 37 ASP CA C 13 54.734 0.15 . 1 . . . . . . . . 4720 1 279 . 1 1 37 37 ASP CB C 13 40.754 0.15 . 1 . . . . . . . . 4720 1 280 . 1 1 37 37 ASP N N 15 122.94 0.15 . 1 . . . . . . . . 4720 1 281 . 1 1 38 38 GLU H H 1 8.283 0.15 . 1 . . . . . . . . 4720 1 282 . 1 1 38 38 GLU HA H 1 4.158 0.15 . 1 . . . . . . . . 4720 1 283 . 1 1 38 38 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 284 . 1 1 38 38 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 285 . 1 1 38 38 GLU C C 13 177.049 0.15 . 1 . . . . . . . . 4720 1 286 . 1 1 38 38 GLU CA C 13 57.389 0.15 . 1 . . . . . . . . 4720 1 287 . 1 1 38 38 GLU CB C 13 29.966 0.15 . 1 . . . . . . . . 4720 1 288 . 1 1 38 38 GLU N N 15 121.909 0.15 . 1 . . . . . . . . 4720 1 289 . 1 1 39 39 GLU H H 1 8.301 0.02 . 1 . . . . . . . . 4720 1 290 . 1 1 39 39 GLU HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 291 . 1 1 39 39 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 292 . 1 1 39 39 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 293 . 1 1 39 39 GLU C C 13 177.397 0.15 . 1 . . . . . . . . 4720 1 294 . 1 1 39 39 GLU CA C 13 57.316 0.15 . 1 . . . . . . . . 4720 1 295 . 1 1 39 39 GLU CB C 13 29.564 0.15 . 1 . . . . . . . . 4720 1 296 . 1 1 39 39 GLU N N 15 120.596 0.15 . 1 . . . . . . . . 4720 1 297 . 1 1 40 40 LEU H H 1 8.060 0.02 . 1 . . . . . . . . 4720 1 298 . 1 1 40 40 LEU HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 299 . 1 1 40 40 LEU HB2 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 300 . 1 1 40 40 LEU HB3 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 301 . 1 1 40 40 LEU C C 13 178.211 0.15 . 1 . . . . . . . . 4720 1 302 . 1 1 40 40 LEU CA C 13 56.105 0.15 . 1 . . . . . . . . 4720 1 303 . 1 1 40 40 LEU CB C 13 41.774 0.15 . 1 . . . . . . . . 4720 1 304 . 1 1 40 40 LEU N N 15 121.534 0.15 . 1 . . . . . . . . 4720 1 305 . 1 1 41 41 SER H H 1 8.078 0.02 . 1 . . . . . . . . 4720 1 306 . 1 1 41 41 SER HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 307 . 1 1 41 41 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 308 . 1 1 41 41 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 309 . 1 1 41 41 SER C C 13 175.074 0.15 . 1 . . . . . . . . 4720 1 310 . 1 1 41 41 SER CA C 13 59.109 0.15 . 1 . . . . . . . . 4720 1 311 . 1 1 41 41 SER CB C 13 63.203 0.15 . 1 . . . . . . . . 4720 1 312 . 1 1 41 41 SER N N 15 115.158 0.15 . 1 . . . . . . . . 4720 1 313 . 1 1 42 42 LYS H H 1 7.960 0.02 . 1 . . . . . . . . 4720 1 314 . 1 1 42 42 LYS HA H 1 4.200 0.02 . 1 . . . . . . . . 4720 1 315 . 1 1 42 42 LYS HB2 H 1 1.770 0.02 . 1 . . . . . . . . 4720 1 316 . 1 1 42 42 LYS HB3 H 1 1.770 0.02 . 1 . . . . . . . . 4720 1 317 . 1 1 42 42 LYS C C 13 176.962 0.15 . 1 . . . . . . . . 4720 1 318 . 1 1 42 42 LYS CA C 13 56.812 0.15 . 1 . . . . . . . . 4720 1 319 . 1 1 42 42 LYS CB C 13 32.560 0.15 . 1 . . . . . . . . 4720 1 320 . 1 1 42 42 LYS N N 15 122.19 0.15 . 1 . . . . . . . . 4720 1 321 . 1 1 43 43 LYS H H 1 8.013 0.02 . 1 . . . . . . . . 4720 1 322 . 1 1 43 43 LYS HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 323 . 1 1 43 43 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 324 . 1 1 43 43 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 325 . 1 1 43 43 LYS C C 13 176.758 0.15 . 1 . . . . . . . . 4720 1 326 . 1 1 43 43 LYS CA C 13 56.703 0.15 . 1 . . . . . . . . 4720 1 327 . 1 1 43 43 LYS CB C 13 32.517 0.15 . 1 . . . . . . . . 4720 1 328 . 1 1 43 43 LYS N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 329 . 1 1 44 44 SER H H 1 8.107 0.02 . 1 . . . . . . . . 4720 1 330 . 1 1 44 44 SER HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 331 . 1 1 44 44 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 332 . 1 1 44 44 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 333 . 1 1 44 44 SER C C 13 174.567 0.15 . 1 . . . . . . . . 4720 1 334 . 1 1 44 44 SER CA C 13 58.563 0.15 . 1 . . . . . . . . 4720 1 335 . 1 1 44 44 SER CB C 13 63.422 0.15 . 1 . . . . . . . . 4720 1 336 . 1 1 44 44 SER N N 15 115.908 0.15 . 1 . . . . . . . . 4720 1 337 . 1 1 45 45 GLN H H 1 8.213 0.02 . 1 . . . . . . . . 4720 1 338 . 1 1 45 45 GLN HA H 1 4.210 0.02 . 1 . . . . . . . . 4720 1 339 . 1 1 45 45 GLN C C 13 175.930 0.15 . 1 . . . . . . . . 4720 1 340 . 1 1 45 45 GLN CA C 13 56.047 0.15 . 1 . . . . . . . . 4720 1 341 . 1 1 45 45 GLN CB C 13 29.029 0.15 . 1 . . . . . . . . 4720 1 342 . 1 1 45 45 GLN N N 15 122.003 0.15 . 1 . . . . . . . . 4720 1 343 . 1 1 46 46 LYS H H 1 8.142 0.02 . 1 . . . . . . . . 4720 1 344 . 1 1 46 46 LYS HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 345 . 1 1 46 46 LYS HB2 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 346 . 1 1 46 46 LYS HB3 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 347 . 1 1 46 46 LYS C C 13 176.584 0.15 . 1 . . . . . . . . 4720 1 348 . 1 1 46 46 LYS CA C 13 56.300 0.15 . 1 . . . . . . . . 4720 1 349 . 1 1 46 46 LYS CB C 13 32.444 0.15 . 1 . . . . . . . . 4720 1 350 . 1 1 46 46 LYS N N 15 121.534 0.15 . 1 . . . . . . . . 4720 1 351 . 1 1 47 47 TRP H H 1 8.020 0.02 . 1 . . . . . . . . 4720 1 352 . 1 1 47 47 TRP HA H 1 4.525 0.02 . 1 . . . . . . . . 4720 1 353 . 1 1 47 47 TRP C C 13 176.264 0.15 . 1 . . . . . . . . 4720 1 354 . 1 1 47 47 TRP CA C 13 57.906 0.15 . 1 . . . . . . . . 4720 1 355 . 1 1 47 47 TRP CB C 13 29.237 0.15 . 1 . . . . . . . . 4720 1 356 . 1 1 47 47 TRP N N 15 121.721 0.15 . 1 . . . . . . . . 4720 1 357 . 1 1 48 48 ASP H H 1 8.113 0.02 . 1 . . . . . . . . 4720 1 358 . 1 1 48 48 ASP HA H 1 4.392 0.02 . 1 . . . . . . . . 4720 1 359 . 1 1 48 48 ASP HB2 H 1 2.478 0.02 . 1 . . . . . . . . 4720 1 360 . 1 1 48 48 ASP HB3 H 1 2.478 0.02 . 1 . . . . . . . . 4720 1 361 . 1 1 48 48 ASP C C 13 176.457 0.15 . 1 . . . . . . . . 4720 1 362 . 1 1 48 48 ASP CA C 13 54.524 0.15 . 1 . . . . . . . . 4720 1 363 . 1 1 48 48 ASP CB C 13 40.535 0.15 . 1 . . . . . . . . 4720 1 364 . 1 1 48 48 ASP N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 365 . 1 1 49 49 GLU H H 1 8.048 0.02 . 1 . . . . . . . . 4720 1 366 . 1 1 49 49 GLU HA H 1 4.050 0.02 . 1 . . . . . . . . 4720 1 367 . 1 1 49 49 GLU C C 13 176.799 0.15 . 1 . . . . . . . . 4720 1 368 . 1 1 49 49 GLU CA C 13 57.250 0.15 . 1 . . . . . . . . 4720 1 369 . 1 1 49 49 GLU CB C 13 29.602 0.15 . 1 . . . . . . . . 4720 1 370 . 1 1 49 49 GLU N N 15 120.315 0.15 . 1 . . . . . . . . 4720 1 371 . 1 1 50 50 MET H H 1 8.083 0.02 . 1 . . . . . . . . 4720 1 372 . 1 1 50 50 MET HA H 1 4.296 0.02 . 1 . . . . . . . . 4720 1 373 . 1 1 50 50 MET HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 374 . 1 1 50 50 MET HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 375 . 1 1 50 50 MET C C 13 176.323 0.15 . 1 . . . . . . . . 4720 1 376 . 1 1 50 50 MET CA C 13 56.047 0.15 . 1 . . . . . . . . 4720 1 377 . 1 1 50 50 MET CB C 13 32.299 0.15 . 1 . . . . . . . . 4720 1 378 . 1 1 50 50 MET N N 15 118.627 0.15 . 1 . . . . . . . . 4720 1 379 . 1 1 51 51 ASN H H 1 8.119 0.02 . 1 . . . . . . . . 4720 1 380 . 1 1 51 51 ASN HA H 1 4.509 0.02 . 1 . . . . . . . . 4720 1 381 . 1 1 51 51 ASN HB2 H 1 2.673 0.02 . 1 . . . . . . . . 4720 1 382 . 1 1 51 51 ASN HB3 H 1 2.673 0.02 . 1 . . . . . . . . 4720 1 383 . 1 1 51 51 ASN C C 13 175.408 0.15 . 1 . . . . . . . . 4720 1 384 . 1 1 51 51 ASN CA C 13 53.531 0.15 . 1 . . . . . . . . 4720 1 385 . 1 1 51 51 ASN CB C 13 38.494 0.15 . 1 . . . . . . . . 4720 1 386 . 1 1 51 51 ASN N N 15 118.909 0.15 . 1 . . . . . . . . 4720 1 387 . 1 1 52 52 ILE H H 1 7.979 0.02 . 1 . . . . . . . . 4720 1 388 . 1 1 52 52 ILE HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 389 . 1 1 52 52 ILE HB H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 390 . 1 1 52 52 ILE C C 13 176.511 0.15 . 1 . . . . . . . . 4720 1 391 . 1 1 52 52 ILE CA C 13 61.844 0.15 . 1 . . . . . . . . 4720 1 392 . 1 1 52 52 ILE CB C 13 38.414 0.15 . 1 . . . . . . . . 4720 1 393 . 1 1 52 52 ILE N N 15 120.596 0.15 . 1 . . . . . . . . 4720 1 394 . 1 1 53 53 LEU H H 1 8.066 0.02 . 1 . . . . . . . . 4720 1 395 . 1 1 53 53 LEU HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 396 . 1 1 53 53 LEU HB2 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 397 . 1 1 53 53 LEU HB3 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 398 . 1 1 53 53 LEU C C 13 177.267 0.15 . 1 . . . . . . . . 4720 1 399 . 1 1 53 53 LEU CA C 13 55.390 0.15 . 1 . . . . . . . . 4720 1 400 . 1 1 53 53 LEU CB C 13 41.774 0.15 . 1 . . . . . . . . 4720 1 401 . 1 1 53 53 LEU N N 15 123.878 0.15 . 1 . . . . . . . . 4720 1 402 . 1 1 54 54 ALA H H 1 7.984 0.02 . 1 . . . . . . . . 4720 1 403 . 1 1 54 54 ALA HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 404 . 1 1 54 54 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 405 . 1 1 54 54 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 406 . 1 1 54 54 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 407 . 1 1 54 54 ALA C C 13 177.702 0.15 . 1 . . . . . . . . 4720 1 408 . 1 1 54 54 ALA CA C 13 52.765 0.15 . 1 . . . . . . . . 4720 1 409 . 1 1 54 54 ALA CB C 13 19.033 0.15 . 1 . . . . . . . . 4720 1 410 . 1 1 54 54 ALA N N 15 123.315 0.15 . 1 . . . . . . . . 4720 1 411 . 1 1 55 55 THR H H 1 7.784 0.02 . 1 . . . . . . . . 4720 1 412 . 1 1 55 55 THR HA H 1 4.178 0.02 . 1 . . . . . . . . 4720 1 413 . 1 1 55 55 THR HB H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 414 . 1 1 55 55 THR C C 13 173.825 0.15 . 1 . . . . . . . . 4720 1 415 . 1 1 55 55 THR CA C 13 61.735 0.15 . 1 . . . . . . . . 4720 1 416 . 1 1 55 55 THR CB C 13 69.544 0.15 . 1 . . . . . . . . 4720 1 417 . 1 1 55 55 THR N N 15 111.595 0.15 . 1 . . . . . . . . 4720 1 418 . 1 1 56 56 TYR H H 1 7.954 0.02 . 1 . . . . . . . . 4720 1 419 . 1 1 56 56 TYR HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 420 . 1 1 56 56 TYR HB2 H 1 2.869 0.02 . 1 . . . . . . . . 4720 1 421 . 1 1 56 56 TYR HB3 H 1 2.869 0.02 . 1 . . . . . . . . 4720 1 422 . 1 1 56 56 TYR C C 13 174.623 0.15 . 1 . . . . . . . . 4720 1 423 . 1 1 56 56 TYR CA C 13 57.687 0.15 . 1 . . . . . . . . 4720 1 424 . 1 1 56 56 TYR CB C 13 38.731 0.15 . 1 . . . . . . . . 4720 1 425 . 1 1 56 56 TYR N N 15 122.753 0.15 . 1 . . . . . . . . 4720 1 426 . 1 1 57 57 HIS H H 1 8.160 0.02 . 1 . . . . . . . . 4720 1 427 . 1 1 57 57 HIS HA H 1 4.787 0.02 . 1 . . . . . . . . 4720 1 428 . 1 1 57 57 HIS C C 13 171.501 0.15 . 1 . . . . . . . . 4720 1 429 . 1 1 57 57 HIS CA C 13 52.546 0.15 . 1 . . . . . . . . 4720 1 430 . 1 1 57 57 HIS CB C 13 28.727 0.15 . 1 . . . . . . . . 4720 1 431 . 1 1 57 57 HIS N N 15 122.753 0.15 . 1 . . . . . . . . 4720 1 432 . 1 1 58 58 PRO HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 433 . 1 1 58 58 PRO HB2 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 434 . 1 1 58 58 PRO HB3 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 435 . 1 1 58 58 PRO HG2 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 436 . 1 1 58 58 PRO HG3 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 437 . 1 1 58 58 PRO C C 13 176.511 0.15 . 1 . . . . . . . . 4720 1 438 . 1 1 58 58 PRO CA C 13 63.047 0.15 . 1 . . . . . . . . 4720 1 439 . 1 1 58 58 PRO CB C 13 31.861 0.15 . 1 . . . . . . . . 4720 1 440 . 1 1 59 59 ALA H H 1 8.394 0.02 . 1 . . . . . . . . 4720 1 441 . 1 1 59 59 ALA HA H 1 4.237 0.02 . 1 . . . . . . . . 4720 1 442 . 1 1 59 59 ALA HB1 H 1 1.327 0.02 . 1 . . . . . . . . 4720 1 443 . 1 1 59 59 ALA HB2 H 1 1.327 0.02 . 1 . . . . . . . . 4720 1 444 . 1 1 59 59 ALA HB3 H 1 1.327 0.02 . 1 . . . . . . . . 4720 1 445 . 1 1 59 59 ALA C C 13 177.455 0.15 . 1 . . . . . . . . 4720 1 446 . 1 1 59 59 ALA CA C 13 52.437 0.15 . 1 . . . . . . . . 4720 1 447 . 1 1 59 59 ALA CB C 13 19.033 0.15 . 1 . . . . . . . . 4720 1 448 . 1 1 59 59 ALA N N 15 123.784 0.15 . 1 . . . . . . . . 4720 1 449 . 1 1 60 60 ASP H H 1 8.177 0.02 . 1 . . . . . . . . 4720 1 450 . 1 1 60 60 ASP HA H 1 4.470 0.02 . 1 . . . . . . . . 4720 1 451 . 1 1 60 60 ASP HB2 H 1 2.595 0.02 . 1 . . . . . . . . 4720 1 452 . 1 1 60 60 ASP HB3 H 1 2.595 0.02 . 1 . . . . . . . . 4720 1 453 . 1 1 60 60 ASP C C 13 176.221 0.15 . 1 . . . . . . . . 4720 1 454 . 1 1 60 60 ASP CA C 13 54.297 0.15 . 1 . . . . . . . . 4720 1 455 . 1 1 60 60 ASP CB C 13 40.899 0.15 . 1 . . . . . . . . 4720 1 456 . 1 1 60 60 ASP N N 15 119.096 0.15 . 1 . . . . . . . . 4720 1 457 . 1 1 61 61 LYS H H 1 8.066 0.02 . 1 . . . . . . . . 4720 1 458 . 1 1 61 61 LYS HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 459 . 1 1 61 61 LYS HB2 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 460 . 1 1 61 61 LYS HB3 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 461 . 1 1 61 61 LYS C C 13 175.77 0.15 . 1 . . . . . . . . 4720 1 462 . 1 1 61 61 LYS CA C 13 56.375 0.15 . 1 . . . . . . . . 4720 1 463 . 1 1 61 61 LYS CB C 13 32.663 0.15 . 1 . . . . . . . . 4720 1 464 . 1 1 61 61 LYS N N 15 120.69 0.15 . 1 . . . . . . . . 4720 1 465 . 1 1 62 62 ASP H H 1 8.142 0.02 . 1 . . . . . . . . 4720 1 466 . 1 1 62 62 ASP HA H 1 4.509 0.02 . 1 . . . . . . . . 4720 1 467 . 1 1 62 62 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 468 . 1 1 62 62 ASP HB3 H 1 2.517 0.02 . 1 . . . . . . . . 4720 1 469 . 1 1 62 62 ASP C C 13 176.021 0.15 . 1 . . . . . . . . 4720 1 470 . 1 1 62 62 ASP CA C 13 53.968 0.15 . 1 . . . . . . . . 4720 1 471 . 1 1 62 62 ASP CB C 13 40.681 0.15 . 1 . . . . . . . . 4720 1 472 . 1 1 62 62 ASP N N 15 120.221 0.15 . 1 . . . . . . . . 4720 1 473 . 1 1 63 63 TYR H H 1 8.025 0.02 . 1 . . . . . . . . 4720 1 474 . 1 1 63 63 TYR HA H 1 4.342 0.02 . 1 . . . . . . . . 4720 1 475 . 1 1 63 63 TYR HB2 H 1 3.025 0.02 . 1 . . . . . . . . 4720 1 476 . 1 1 63 63 TYR HB3 H 1 2.869 0.02 . 1 . . . . . . . . 4720 1 477 . 1 1 63 63 TYR C C 13 176.518 0.15 . 1 . . . . . . . . 4720 1 478 . 1 1 63 63 TYR CA C 13 58.672 0.15 . 1 . . . . . . . . 4720 1 479 . 1 1 63 63 TYR CB C 13 38.203 0.15 . 1 . . . . . . . . 4720 1 480 . 1 1 63 63 TYR N N 15 121.253 0.15 . 1 . . . . . . . . 4720 1 481 . 1 1 64 64 GLY H H 1 8.312 0.02 . 1 . . . . . . . . 4720 1 482 . 1 1 64 64 GLY C C 13 174.13 0.15 . 1 . . . . . . . . 4720 1 483 . 1 1 64 64 GLY CA C 13 45.437 0.15 . 1 . . . . . . . . 4720 1 484 . 1 1 64 64 GLY N N 15 109.626 0.15 . 1 . . . . . . . . 4720 1 485 . 1 1 65 65 LEU H H 1 7.819 0.02 . 1 . . . . . . . . 4720 1 486 . 1 1 65 65 LEU HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 487 . 1 1 65 65 LEU HB2 H 1 1.526 0.02 . 1 . . . . . . . . 4720 1 488 . 1 1 65 65 LEU HB3 H 1 1.526 0.02 . 1 . . . . . . . . 4720 1 489 . 1 1 65 65 LEU C C 13 177.223 0.15 . 1 . . . . . . . . 4720 1 490 . 1 1 65 65 LEU CA C 13 55.127 0.15 . 1 . . . . . . . . 4720 1 491 . 1 1 65 65 LEU CB C 13 42.145 0.15 . 1 . . . . . . . . 4720 1 492 . 1 1 65 65 LEU N N 15 120.971 0.15 . 1 . . . . . . . . 4720 1 493 . 1 1 66 66 MET H H 1 8.148 0.02 . 1 . . . . . . . . 4720 1 494 . 1 1 66 66 MET HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 495 . 1 1 66 66 MET HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 496 . 1 1 66 66 MET HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 497 . 1 1 66 66 MET C C 13 175.655 0.15 . 1 . . . . . . . . 4720 1 498 . 1 1 66 66 MET CA C 13 55.281 0.15 . 1 . . . . . . . . 4720 1 499 . 1 1 66 66 MET CB C 13 32.590 0.15 . 1 . . . . . . . . 4720 1 500 . 1 1 66 66 MET N N 15 120.409 0.15 . 1 . . . . . . . . 4720 1 501 . 1 1 67 67 LYS H H 1 8.189 0.02 . 1 . . . . . . . . 4720 1 502 . 1 1 67 67 LYS HA H 1 4.263 0.02 . 1 . . . . . . . . 4720 1 503 . 1 1 67 67 LYS C C 13 176.09 0.15 . 1 . . . . . . . . 4720 1 504 . 1 1 67 67 LYS CA C 13 56.047 0.15 . 1 . . . . . . . . 4720 1 505 . 1 1 67 67 LYS CB C 13 32.633 0.15 . 1 . . . . . . . . 4720 1 506 . 1 1 67 67 LYS N N 15 122.846 0.15 . 1 . . . . . . . . 4720 1 507 . 1 1 68 68 ILE H H 1 8.113 0.02 . 1 . . . . . . . . 4720 1 508 . 1 1 68 68 ILE HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 509 . 1 1 68 68 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 510 . 1 1 68 68 ILE C C 13 175.553 0.15 . 1 . . . . . . . . 4720 1 511 . 1 1 68 68 ILE CA C 13 60.860 0.15 . 1 . . . . . . . . 4720 1 512 . 1 1 68 68 ILE CB C 13 38.786 0.15 . 1 . . . . . . . . 4720 1 513 . 1 1 68 68 ILE N N 15 122.284 0.15 . 1 . . . . . . . . 4720 1 514 . 1 1 69 69 ASP H H 1 8.330 0.02 . 1 . . . . . . . . 4720 1 515 . 1 1 69 69 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 516 . 1 1 69 69 ASP HB2 H 1 2.556 0.02 . 1 . . . . . . . . 4720 1 517 . 1 1 69 69 ASP HB3 H 1 2.556 0.02 . 1 . . . . . . . . 4720 1 518 . 1 1 69 69 ASP C C 13 175.35 0.15 . 1 . . . . . . . . 4720 1 519 . 1 1 69 69 ASP CA C 13 53.968 0.15 . 1 . . . . . . . . 4720 1 520 . 1 1 69 69 ASP CB C 13 40.899 0.15 . 1 . . . . . . . . 4720 1 521 . 1 1 69 69 ASP N N 15 124.065 0.15 . 1 . . . . . . . . 4720 1 522 . 1 1 70 70 GLU H H 1 8.101 0.02 . 1 . . . . . . . . 4720 1 523 . 1 1 70 70 GLU HA H 1 4.536 0.02 . 1 . . . . . . . . 4720 1 524 . 1 1 70 70 GLU C C 13 174.246 0.15 . 1 . . . . . . . . 4720 1 525 . 1 1 70 70 GLU CA C 13 54.078 0.15 . 1 . . . . . . . . 4720 1 526 . 1 1 70 70 GLU CB C 13 29.675 0.15 . 1 . . . . . . . . 4720 1 527 . 1 1 70 70 GLU N N 15 122.096 0.15 . 1 . . . . . . . . 4720 1 528 . 1 1 71 71 PRO HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 529 . 1 1 71 71 PRO HB2 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 530 . 1 1 71 71 PRO HB3 H 1 2.205 0.02 . 1 . . . . . . . . 4720 1 531 . 1 1 71 71 PRO C C 13 176.816 0.15 . 1 . . . . . . . . 4720 1 532 . 1 1 71 71 PRO CA C 13 63.157 0.15 . 1 . . . . . . . . 4720 1 533 . 1 1 71 71 PRO CB C 13 31.861 0.15 . 1 . . . . . . . . 4720 1 534 . 1 1 72 72 SER H H 1 8.371 0.02 . 1 . . . . . . . . 4720 1 535 . 1 1 72 72 SER HA H 1 4.392 0.02 . 1 . . . . . . . . 4720 1 536 . 1 1 72 72 SER HB2 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 537 . 1 1 72 72 SER HB3 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 538 . 1 1 72 72 SER C C 13 174.246 0.15 . 1 . . . . . . . . 4720 1 539 . 1 1 72 72 SER CA C 13 58.234 0.15 . 1 . . . . . . . . 4720 1 540 . 1 1 72 72 SER CB C 13 63.786 0.15 . 1 . . . . . . . . 4720 1 541 . 1 1 72 72 SER N N 15 115.814 0.15 . 1 . . . . . . . . 4720 1 542 . 1 1 73 73 THR H H 1 8.042 0.02 . 1 . . . . . . . . 4720 1 543 . 1 1 73 73 THR HA H 1 4.552 0.02 . 1 . . . . . . . . 4720 1 544 . 1 1 73 73 THR HB H 1 4.256 0.02 . 1 . . . . . . . . 4720 1 545 . 1 1 73 73 THR C C 13 172.736 0.15 . 1 . . . . . . . . 4720 1 546 . 1 1 73 73 THR CA C 13 59.547 0.15 . 1 . . . . . . . . 4720 1 547 . 1 1 73 73 THR CB C 13 69.617 0.15 . 1 . . . . . . . . 4720 1 548 . 1 1 73 73 THR N N 15 117.596 0.15 . 1 . . . . . . . . 4720 1 549 . 1 1 74 74 PRO HA H 1 4.314 0.02 . 1 . . . . . . . . 4720 1 550 . 1 1 74 74 PRO HB2 H 1 2.127 0.02 . 1 . . . . . . . . 4720 1 551 . 1 1 74 74 PRO HB3 H 1 2.127 0.02 . 1 . . . . . . . . 4720 1 552 . 1 1 74 74 PRO C C 13 176.352 0.15 . 1 . . . . . . . . 4720 1 553 . 1 1 74 74 PRO CA C 13 63.157 0.15 . 1 . . . . . . . . 4720 1 554 . 1 1 74 74 PRO CB C 13 31.716 0.15 . 1 . . . . . . . . 4720 1 555 . 1 1 75 75 TYR H H 1 8.083 0.02 . 1 . . . . . . . . 4720 1 556 . 1 1 75 75 TYR HA H 1 4.408 0.02 . 1 . . . . . . . . 4720 1 557 . 1 1 75 75 TYR C C 13 175.364 0.15 . 1 . . . . . . . . 4720 1 558 . 1 1 75 75 TYR CA C 13 57.997 0.15 . 1 . . . . . . . . 4720 1 559 . 1 1 75 75 TYR CB C 13 38.567 0.15 . 1 . . . . . . . . 4720 1 560 . 1 1 75 75 TYR N N 15 120.502 0.15 . 1 . . . . . . . . 4720 1 561 . 1 1 76 76 HIS H H 1 8.113 0.02 . 1 . . . . . . . . 4720 1 562 . 1 1 76 76 HIS HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 563 . 1 1 76 76 HIS HB2 H 1 3.064 0.02 . 1 . . . . . . . . 4720 1 564 . 1 1 76 76 HIS HB3 H 1 3.064 0.02 . 1 . . . . . . . . 4720 1 565 . 1 1 76 76 HIS C C 13 173.665 0.15 . 1 . . . . . . . . 4720 1 566 . 1 1 76 76 HIS CA C 13 54.895 0.15 . 1 . . . . . . . . 4720 1 567 . 1 1 76 76 HIS CB C 13 29.237 0.15 . 1 . . . . . . . . 4720 1 568 . 1 1 76 76 HIS N N 15 120.971 0.15 . 1 . . . . . . . . 4720 1 569 . 1 1 77 77 SER H H 1 8.295 0.02 . 1 . . . . . . . . 4720 1 570 . 1 1 77 77 SER HA H 1 4.314 0.02 . 1 . . . . . . . . 4720 1 571 . 1 1 77 77 SER HB2 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 572 . 1 1 77 77 SER HB3 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 573 . 1 1 77 77 SER C C 13 174.522 0.15 . 1 . . . . . . . . 4720 1 574 . 1 1 77 77 SER CA C 13 58.276 0.15 . 1 . . . . . . . . 4720 1 575 . 1 1 77 77 SER CB C 13 63.495 0.15 . 1 . . . . . . . . 4720 1 576 . 1 1 77 77 SER N N 15 117.315 0.15 . 1 . . . . . . . . 4720 1 577 . 1 1 78 78 MET H H 1 8.459 0.02 . 1 . . . . . . . . 4720 1 578 . 1 1 78 78 MET HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 579 . 1 1 78 78 MET HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 580 . 1 1 78 78 MET HB3 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 581 . 1 1 78 78 MET C C 13 176.119 0.15 . 1 . . . . . . . . 4720 1 582 . 1 1 78 78 MET CA C 13 55.500 0.15 . 1 . . . . . . . . 4720 1 583 . 1 1 78 78 MET CB C 13 32.372 0.15 . 1 . . . . . . . . 4720 1 584 . 1 1 78 78 MET N N 15 122.284 0.15 . 1 . . . . . . . . 4720 1 585 . 1 1 79 79 MET H H 1 8.277 0.02 . 1 . . . . . . . . 4720 1 586 . 1 1 79 79 MET HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 587 . 1 1 79 79 MET HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 588 . 1 1 79 79 MET HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 589 . 1 1 79 79 MET C C 13 176.482 0.15 . 1 . . . . . . . . 4720 1 590 . 1 1 79 79 MET CA C 13 55.500 0.15 . 1 . . . . . . . . 4720 1 591 . 1 1 79 79 MET CB C 13 40.754 0.15 . 1 . . . . . . . . 4720 1 592 . 1 1 79 79 MET N N 15 120.409 0.15 . 1 . . . . . . . . 4720 1 593 . 1 1 80 80 GLY H H 1 8.306 0.02 . 1 . . . . . . . . 4720 1 594 . 1 1 80 80 GLY HA2 H 1 3.906 0.02 . 1 . . . . . . . . 4720 1 595 . 1 1 80 80 GLY HA3 H 1 3.906 0.02 . 1 . . . . . . . . 4720 1 596 . 1 1 80 80 GLY C C 13 173.738 0.15 . 1 . . . . . . . . 4720 1 597 . 1 1 80 80 GLY CA C 13 45.218 0.15 . 1 . . . . . . . . 4720 1 598 . 1 1 80 80 GLY N N 15 110.001 0.15 . 1 . . . . . . . . 4720 1 599 . 1 1 81 81 ASP H H 1 8.218 0.02 . 1 . . . . . . . . 4720 1 600 . 1 1 81 81 ASP HA H 1 4.587 0.02 . 1 . . . . . . . . 4720 1 601 . 1 1 81 81 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 602 . 1 1 81 81 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 603 . 1 1 81 81 ASP C C 13 175.887 0.15 . 1 . . . . . . . . 4720 1 604 . 1 1 81 81 ASP CA C 13 54.250 0.15 . 1 . . . . . . . . 4720 1 605 . 1 1 81 81 ASP CB C 13 40.899 0.15 . 1 . . . . . . . . 4720 1 606 . 1 1 81 81 ASP N N 15 120.221 0.15 . 1 . . . . . . . . 4720 1 607 . 1 1 82 82 ASP H H 1 8.301 0.02 . 1 . . . . . . . . 4720 1 608 . 1 1 82 82 ASP HA H 1 4.587 0.02 . 1 . . . . . . . . 4720 1 609 . 1 1 82 82 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 610 . 1 1 82 82 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 611 . 1 1 82 82 ASP C C 13 176.277 0.15 . 1 . . . . . . . . 4720 1 612 . 1 1 82 82 ASP CA C 13 54.187 0.15 . 1 . . . . . . . . 4720 1 613 . 1 1 82 82 ASP CB C 13 40.789 0.15 . 1 . . . . . . . . 4720 1 614 . 1 1 82 82 ASP N N 15 120.034 0.15 . 1 . . . . . . . . 4720 1 615 . 1 1 83 83 GLU H H 1 8.277 0.02 . 1 . . . . . . . . 4720 1 616 . 1 1 83 83 GLU HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 617 . 1 1 83 83 GLU HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 618 . 1 1 83 83 GLU HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 619 . 1 1 83 83 GLU C C 13 176.265 0.15 . 1 . . . . . . . . 4720 1 620 . 1 1 83 83 GLU CA C 13 56.812 0.15 . 1 . . . . . . . . 4720 1 621 . 1 1 83 83 GLU CB C 13 29.749 0.15 . 1 . . . . . . . . 4720 1 622 . 1 1 83 83 GLU N N 15 120.784 0.15 . 1 . . . . . . . . 4720 1 623 . 1 1 84 84 ASP H H 1 8.269 0.02 . 1 . . . . . . . . 4720 1 624 . 1 1 84 84 ASP HA H 1 4.509 0.02 . 1 . . . . . . . . 4720 1 625 . 1 1 84 84 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 626 . 1 1 84 84 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 627 . 1 1 84 84 ASP C C 13 175.945 0.15 . 1 . . . . . . . . 4720 1 628 . 1 1 84 84 ASP CA C 13 54.324 0.15 . 1 . . . . . . . . 4720 1 629 . 1 1 84 84 ASP CB C 13 40.681 0.15 . 1 . . . . . . . . 4720 1 630 . 1 1 84 84 ASP N N 15 120.690 0.15 . 1 . . . . . . . . 4720 1 631 . 1 1 85 85 ALA H H 1 8.060 0.02 . 1 . . . . . . . . 4720 1 632 . 1 1 85 85 ALA HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 633 . 1 1 85 85 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 634 . 1 1 85 85 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 635 . 1 1 85 85 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 636 . 1 1 85 85 ALA C C 13 177.659 0.15 . 1 . . . . . . . . 4720 1 637 . 1 1 85 85 ALA CA C 13 52.546 0.15 . 1 . . . . . . . . 4720 1 638 . 1 1 85 85 ALA CB C 13 19.106 0.15 . 1 . . . . . . . . 4720 1 639 . 1 1 85 85 ALA N N 15 124.065 0.15 . 1 . . . . . . . . 4720 1 640 . 1 1 86 86 CYS H H 1 8.271 0.02 . 1 . . . . . . . . 4720 1 641 . 1 1 86 86 CYS HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 642 . 1 1 86 86 CYS HB2 H 1 2.869 0.02 . 1 . . . . . . . . 4720 1 643 . 1 1 86 86 CYS HB3 H 1 2.869 0.02 . 1 . . . . . . . . 4720 1 644 . 1 1 86 86 CYS C C 13 174.632 0.15 . 1 . . . . . . . . 4720 1 645 . 1 1 86 86 CYS CA C 13 58.453 0.15 . 1 . . . . . . . . 4720 1 646 . 1 1 86 86 CYS CB C 13 27.707 0.15 . 1 . . . . . . . . 4720 1 647 . 1 1 86 86 CYS N N 15 118.065 0.15 . 1 . . . . . . . . 4720 1 648 . 1 1 87 87 SER H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 649 . 1 1 87 87 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 650 . 1 1 87 87 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 651 . 1 1 87 87 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 652 . 1 1 87 87 SER C C 13 174.207 0.15 . 1 . . . . . . . . 4720 1 653 . 1 1 87 87 SER CA C 13 58.344 0.15 . 1 . . . . . . . . 4720 1 654 . 1 1 87 87 SER CB C 13 63.640 0.15 . 1 . . . . . . . . 4720 1 655 . 1 1 87 87 SER N N 15 118.158 0.15 . 1 . . . . . . . . 4720 1 656 . 1 1 88 88 ASP H H 1 8.330 0.02 . 1 . . . . . . . . 4720 1 657 . 1 1 88 88 ASP HA H 1 4.627 0.02 . 1 . . . . . . . . 4720 1 658 . 1 1 88 88 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 659 . 1 1 88 88 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 660 . 1 1 88 88 ASP C C 13 176.395 0.15 . 1 . . . . . . . . 4720 1 661 . 1 1 88 88 ASP CA C 13 54.406 0.15 . 1 . . . . . . . . 4720 1 662 . 1 1 88 88 ASP CB C 13 40.681 0.15 . 1 . . . . . . . . 4720 1 663 . 1 1 88 88 ASP N N 15 122.378 0.15 . 1 . . . . . . . . 4720 1 664 . 1 1 89 89 THR H H 1 8.054 0.02 . 1 . . . . . . . . 4720 1 665 . 1 1 89 89 THR HA H 1 4.226 0.02 . 1 . . . . . . . . 4720 1 666 . 1 1 89 89 THR C C 13 174.740 0.15 . 1 . . . . . . . . 4720 1 667 . 1 1 89 89 THR CA C 13 62.281 0.15 . 1 . . . . . . . . 4720 1 668 . 1 1 89 89 THR CB C 13 69.471 0.15 . 1 . . . . . . . . 4720 1 669 . 1 1 89 89 THR N N 15 114.221 0.15 . 1 . . . . . . . . 4720 1 670 . 1 1 90 90 GLU H H 1 8.270 0.02 . 1 . . . . . . . . 4720 1 671 . 1 1 90 90 GLU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 672 . 1 1 90 90 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 673 . 1 1 90 90 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 674 . 1 1 90 90 GLU C C 13 176.308 0.15 . 1 . . . . . . . . 4720 1 675 . 1 1 90 90 GLU CA C 13 56.594 0.15 . 1 . . . . . . . . 4720 1 676 . 1 1 90 90 GLU CB C 13 29.675 0.15 . 1 . . . . . . . . 4720 1 677 . 1 1 90 90 GLU N N 15 122.659 0.15 . 1 . . . . . . . . 4720 1 678 . 1 1 91 91 ALA H H 1 8.189 0.02 . 1 . . . . . . . . 4720 1 679 . 1 1 91 91 ALA HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 680 . 1 1 91 91 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 681 . 1 1 91 91 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 682 . 1 1 91 91 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 683 . 1 1 91 91 ALA C C 13 178.022 0.15 . 1 . . . . . . . . 4720 1 684 . 1 1 91 91 ALA CA C 13 52.656 0.15 . 1 . . . . . . . . 4720 1 685 . 1 1 91 91 ALA CB C 13 18.887 0.15 . 1 . . . . . . . . 4720 1 686 . 1 1 91 91 ALA N N 15 124.628 0.15 . 1 . . . . . . . . 4720 1 687 . 1 1 92 92 THR H H 1 8.001 0.02 . 1 . . . . . . . . 4720 1 688 . 1 1 92 92 THR HA H 1 4.221 0.02 . 1 . . . . . . . . 4720 1 689 . 1 1 92 92 THR C C 13 174.914 0.15 . 1 . . . . . . . . 4720 1 690 . 1 1 92 92 THR CA C 13 62.172 0.15 . 1 . . . . . . . . 4720 1 691 . 1 1 92 92 THR CB C 13 69.617 0.15 . 1 . . . . . . . . 4720 1 692 . 1 1 92 92 THR N N 15 113.095 0.15 . 1 . . . . . . . . 4720 1 693 . 1 1 93 93 GLU H H 1 8.283 0.02 . 1 . . . . . . . . 4720 1 694 . 1 1 93 93 GLU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 695 . 1 1 93 93 GLU HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 696 . 1 1 93 93 GLU HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 697 . 1 1 93 93 GLU C C 13 176.134 0.15 . 1 . . . . . . . . 4720 1 698 . 1 1 93 93 GLU CA C 13 56.594 0.15 . 1 . . . . . . . . 4720 1 699 . 1 1 93 93 GLU CB C 13 29.675 0.15 . 1 . . . . . . . . 4720 1 700 . 1 1 93 93 GLU N N 15 122.659 0.15 . 1 . . . . . . . . 4720 1 701 . 1 1 94 94 ALA H H 1 8.125 0.02 . 1 . . . . . . . . 4720 1 702 . 1 1 94 94 ALA HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 703 . 1 1 94 94 ALA HB1 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 704 . 1 1 94 94 ALA HB2 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 705 . 1 1 94 94 ALA HB3 H 1 1.345 0.02 . 1 . . . . . . . . 4720 1 706 . 1 1 94 94 ALA C C 13 177.441 0.15 . 1 . . . . . . . . 4720 1 707 . 1 1 94 94 ALA CA C 13 52.437 0.15 . 1 . . . . . . . . 4720 1 708 . 1 1 94 94 ALA CB C 13 18.960 0.15 . 1 . . . . . . . . 4720 1 709 . 1 1 94 94 ALA N N 15 124.159 0.15 . 1 . . . . . . . . 4720 1 710 . 1 1 95 95 MET H H 1 8.060 0.02 . 1 . . . . . . . . 4720 1 711 . 1 1 95 95 MET HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 712 . 1 1 95 95 MET HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 713 . 1 1 95 95 MET HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 714 . 1 1 95 95 MET C C 13 175.379 0.15 . 1 . . . . . . . . 4720 1 715 . 1 1 95 95 MET CA C 13 54.953 0.15 . 1 . . . . . . . . 4720 1 716 . 1 1 95 95 MET CB C 13 33.232 0.15 . 1 . . . . . . . . 4720 1 717 . 1 1 95 95 MET N N 15 118.909 0.15 . 1 . . . . . . . . 4720 1 718 . 1 1 96 96 ALA H H 1 8.148 0.02 . 1 . . . . . . . . 4720 1 719 . 1 1 96 96 ALA HA H 1 4.488 0.02 . 1 . . . . . . . . 4720 1 720 . 1 1 96 96 ALA HB1 H 1 1.383 0.02 . 1 . . . . . . . . 4720 1 721 . 1 1 96 96 ALA HB2 H 1 1.383 0.02 . 1 . . . . . . . . 4720 1 722 . 1 1 96 96 ALA HB3 H 1 1.383 0.02 . 1 . . . . . . . . 4720 1 723 . 1 1 96 96 ALA C C 13 175.945 0.15 . 1 . . . . . . . . 4720 1 724 . 1 1 96 96 ALA CA C 13 51.015 0.15 . 1 . . . . . . . . 4720 1 725 . 1 1 96 96 ALA CB C 13 17.867 0.15 . 1 . . . . . . . . 4720 1 726 . 1 1 96 96 ALA N N 15 126.222 0.15 . 1 . . . . . . . . 4720 1 727 . 1 1 97 97 PRO HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 728 . 1 1 97 97 PRO HB2 H 1 2.244 0.02 . 1 . . . . . . . . 4720 1 729 . 1 1 97 97 PRO HB3 H 1 2.244 0.02 . 1 . . . . . . . . 4720 1 730 . 1 1 97 97 PRO C C 13 177.528 0.15 . 1 . . . . . . . . 4720 1 731 . 1 1 97 97 PRO CA C 13 64.250 0.15 . 1 . . . . . . . . 4720 1 732 . 1 1 97 97 PRO CB C 13 31.788 0.15 . 1 . . . . . . . . 4720 1 733 . 1 1 98 98 ASP H H 1 8.430 0.02 . 1 . . . . . . . . 4720 1 734 . 1 1 98 98 ASP HA H 1 4.470 0.02 . 1 . . . . . . . . 4720 1 735 . 1 1 98 98 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 736 . 1 1 98 98 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 737 . 1 1 98 98 ASP C C 13 177.158 0.15 . 1 . . . . . . . . 4720 1 738 . 1 1 98 98 ASP CA C 13 55.062 0.15 . 1 . . . . . . . . 4720 1 739 . 1 1 98 98 ASP CB C 13 40.171 0.15 . 1 . . . . . . . . 4720 1 740 . 1 1 98 98 ASP N N 15 118.158 0.15 . 1 . . . . . . . . 4720 1 741 . 1 1 99 99 ILE H H 1 7.655 0.02 . 1 . . . . . . . . 4720 1 742 . 1 1 99 99 ILE HA H 1 3.855 0.02 . 1 . . . . . . . . 4720 1 743 . 1 1 99 99 ILE HB H 1 1.907 0.02 . 1 . . . . . . . . 4720 1 744 . 1 1 99 99 ILE C C 13 177.528 0.15 . 1 . . . . . . . . 4720 1 745 . 1 1 99 99 ILE CA C 13 62.828 0.15 . 1 . . . . . . . . 4720 1 746 . 1 1 99 99 ILE CB C 13 37.765 0.15 . 1 . . . . . . . . 4720 1 747 . 1 1 99 99 ILE N N 15 121.159 0.15 . 1 . . . . . . . . 4720 1 748 . 1 1 100 100 LEU H H 1 7.966 0.02 . 1 . . . . . . . . 4720 1 749 . 1 1 100 100 LEU HA H 1 4.092 0.02 . 1 . . . . . . . . 4720 1 750 . 1 1 100 100 LEU C C 13 178.094 0.15 . 1 . . . . . . . . 4720 1 751 . 1 1 100 100 LEU CA C 13 56.812 0.15 . 1 . . . . . . . . 4720 1 752 . 1 1 100 100 LEU CB C 13 41.410 0.15 . 1 . . . . . . . . 4720 1 753 . 1 1 100 100 LEU N N 15 122.378 0.15 . 1 . . . . . . . . 4720 1 754 . 1 1 101 101 ALA H H 1 7.948 0.02 . 1 . . . . . . . . 4720 1 755 . 1 1 101 101 ALA HA H 1 4.080 0.02 . 1 . . . . . . . . 4720 1 756 . 1 1 101 101 ALA HB1 H 1 1.384 0.02 . 1 . . . . . . . . 4720 1 757 . 1 1 101 101 ALA HB2 H 1 1.384 0.02 . 1 . . . . . . . . 4720 1 758 . 1 1 101 101 ALA HB3 H 1 1.384 0.02 . 1 . . . . . . . . 4720 1 759 . 1 1 101 101 ALA C C 13 179.401 0.15 . 1 . . . . . . . . 4720 1 760 . 1 1 101 101 ALA CA C 13 53.968 0.15 . 1 . . . . . . . . 4720 1 761 . 1 1 101 101 ALA CB C 13 18.304 0.15 . 1 . . . . . . . . 4720 1 762 . 1 1 101 101 ALA N N 15 121.346 0.15 . 1 . . . . . . . . 4720 1 763 . 1 1 102 102 ARG H H 1 7.784 0.02 . 1 . . . . . . . . 4720 1 764 . 1 1 102 102 ARG HA H 1 4.080 0.02 . 1 . . . . . . . . 4720 1 765 . 1 1 102 102 ARG HB2 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 766 . 1 1 102 102 ARG HB3 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 767 . 1 1 102 102 ARG C C 13 177.702 0.15 . 1 . . . . . . . . 4720 1 768 . 1 1 102 102 ARG CA C 13 57.797 0.15 . 1 . . . . . . . . 4720 1 769 . 1 1 102 102 ARG CB C 13 30.258 0.15 . 1 . . . . . . . . 4720 1 770 . 1 1 102 102 ARG N N 15 118.440 0.15 . 1 . . . . . . . . 4720 1 771 . 1 1 103 103 LYS H H 1 8.048 0.02 . 1 . . . . . . . . 4720 1 772 . 1 1 103 103 LYS HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 773 . 1 1 103 103 LYS C C 13 178.044 0.15 . 1 . . . . . . . . 4720 1 774 . 1 1 103 103 LYS CA C 13 57.797 0.15 . 1 . . . . . . . . 4720 1 775 . 1 1 103 103 LYS CB C 13 32.517 0.15 . 1 . . . . . . . . 4720 1 776 . 1 1 103 103 LYS N N 15 121.440 0.15 . 1 . . . . . . . . 4720 1 777 . 1 1 104 104 LEU H H 1 8.142 0.02 . 1 . . . . . . . . 4720 1 778 . 1 1 104 104 LEU HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 779 . 1 1 104 104 LEU HB2 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 780 . 1 1 104 104 LEU HB3 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 781 . 1 1 104 104 LEU HG H 1 1.502 0.02 . 1 . . . . . . . . 4720 1 782 . 1 1 104 104 LEU C C 13 178.007 0.15 . 1 . . . . . . . . 4720 1 783 . 1 1 104 104 LEU CA C 13 56.300 0.15 . 1 . . . . . . . . 4720 1 784 . 1 1 104 104 LEU CB C 13 41.774 0.15 . 1 . . . . . . . . 4720 1 785 . 1 1 104 104 LEU N N 15 121.44 0.15 . 1 . . . . . . . . 4720 1 786 . 1 1 105 105 ALA H H 1 7.931 0.02 . 1 . . . . . . . . 4720 1 787 . 1 1 105 105 ALA HA H 1 4.167 0.02 . 1 . . . . . . . . 4720 1 788 . 1 1 105 105 ALA HB1 H 1 1.374 0.02 . 1 . . . . . . . . 4720 1 789 . 1 1 105 105 ALA HB2 H 1 1.374 0.02 . 1 . . . . . . . . 4720 1 790 . 1 1 105 105 ALA HB3 H 1 1.374 0.02 . 1 . . . . . . . . 4720 1 791 . 1 1 105 105 ALA C C 13 178.383 0.15 . 1 . . . . . . . . 4720 1 792 . 1 1 105 105 ALA CA C 13 53.203 0.15 . 1 . . . . . . . . 4720 1 793 . 1 1 105 105 ALA CB C 13 18.523 0.15 . 1 . . . . . . . . 4720 1 794 . 1 1 105 105 ALA N N 15 122.753 0.15 . 1 . . . . . . . . 4720 1 795 . 1 1 106 106 ALA H H 1 7.902 0.02 . 1 . . . . . . . . 4720 1 796 . 1 1 106 106 ALA HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 797 . 1 1 106 106 ALA HB1 H 1 1.405 0.02 . 1 . . . . . . . . 4720 1 798 . 1 1 106 106 ALA HB2 H 1 1.405 0.02 . 1 . . . . . . . . 4720 1 799 . 1 1 106 106 ALA HB3 H 1 1.405 0.02 . 1 . . . . . . . . 4720 1 800 . 1 1 106 106 ALA C C 13 178.181 0.15 . 1 . . . . . . . . 4720 1 801 . 1 1 106 106 ALA CA C 13 52.977 0.15 . 1 . . . . . . . . 4720 1 802 . 1 1 106 106 ALA CB C 13 18.523 0.15 . 1 . . . . . . . . 4720 1 803 . 1 1 106 106 ALA N N 15 121.534 0.15 . 1 . . . . . . . . 4720 1 804 . 1 1 107 107 ALA H H 1 7.907 0.02 . 1 . . . . . . . . 4720 1 805 . 1 1 107 107 ALA HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 806 . 1 1 107 107 ALA HB1 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 807 . 1 1 107 107 ALA HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 808 . 1 1 107 107 ALA HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 809 . 1 1 107 107 ALA C C 13 178.065 0.15 . 1 . . . . . . . . 4720 1 810 . 1 1 107 107 ALA CA C 13 52.875 0.15 . 1 . . . . . . . . 4720 1 811 . 1 1 107 107 ALA CB C 13 18.699 0.15 . 1 . . . . . . . . 4720 1 812 . 1 1 107 107 ALA N N 15 121.909 0.15 . 1 . . . . . . . . 4720 1 813 . 1 1 108 108 GLU H H 1 8.078 0.02 . 1 . . . . . . . . 4720 1 814 . 1 1 108 108 GLU HA H 1 4.230 0.02 . 1 . . . . . . . . 4720 1 815 . 1 1 108 108 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 816 . 1 1 108 108 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 817 . 1 1 108 108 GLU C C 13 176.965 0.15 . 1 . . . . . . . . 4720 1 818 . 1 1 108 108 GLU CA C 13 56.703 0.15 . 1 . . . . . . . . 4720 1 819 . 1 1 108 108 GLU CB C 13 29.968 0.15 . 1 . . . . . . . . 4720 1 820 . 1 1 108 108 GLU N N 15 118.721 0.15 . 1 . . . . . . . . 4720 1 821 . 1 1 109 109 GLY H H 1 8.160 0.02 . 1 . . . . . . . . 4720 1 822 . 1 1 109 109 GLY HA2 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 823 . 1 1 109 109 GLY HA3 H 1 3.884 0.02 . 1 . . . . . . . . 4720 1 824 . 1 1 109 109 GLY C C 13 173.97 0.15 . 1 . . . . . . . . 4720 1 825 . 1 1 109 109 GLY CA C 13 45.327 0.15 . 1 . . . . . . . . 4720 1 826 . 1 1 109 109 GLY N N 15 108.595 0.15 . 1 . . . . . . . . 4720 1 827 . 1 1 110 110 LEU H H 1 7.884 0.02 . 1 . . . . . . . . 4720 1 828 . 1 1 110 110 LEU HA H 1 4.307 0.02 . 1 . . . . . . . . 4720 1 829 . 1 1 110 110 LEU C C 13 177.049 0.15 . 1 . . . . . . . . 4720 1 830 . 1 1 110 110 LEU CA C 13 54.734 0.15 . 1 . . . . . . . . 4720 1 831 . 1 1 110 110 LEU CB C 13 42.430 0.15 . 1 . . . . . . . . 4720 1 832 . 1 1 110 110 LEU N N 15 120.784 0.15 . 1 . . . . . . . . 4720 1 833 . 1 1 111 111 GLU H H 1 8.265 0.02 . 1 . . . . . . . . 4720 1 834 . 1 1 111 111 GLU HA H 1 4.199 0.02 . 1 . . . . . . . . 4720 1 835 . 1 1 111 111 GLU C C 13 174.420 0.15 . 1 . . . . . . . . 4720 1 836 . 1 1 111 111 GLU CA C 13 54.515 0.15 . 1 . . . . . . . . 4720 1 837 . 1 1 111 111 GLU CB C 13 29.165 0.15 . 1 . . . . . . . . 4720 1 838 . 1 1 111 111 GLU N N 15 122.378 0.15 . 1 . . . . . . . . 4720 1 839 . 1 1 112 112 PRO HB2 H 1 2.166 0.02 . 1 . . . . . . . . 4720 1 840 . 1 1 112 112 PRO HB3 H 1 2.166 0.02 . 1 . . . . . . . . 4720 1 841 . 1 1 112 112 PRO C C 13 176.847 0.15 . 1 . . . . . . . . 4720 1 842 . 1 1 112 112 PRO CA C 13 63.375 0.15 . 1 . . . . . . . . 4720 1 843 . 1 1 112 112 PRO CB C 13 31.753 0.15 . 1 . . . . . . . . 4720 1 844 . 1 1 113 113 LYS H H 1 8.242 0.02 . 1 . . . . . . . . 4720 1 845 . 1 1 113 113 LYS HA H 1 4.109 0.02 . 1 . . . . . . . . 4720 1 846 . 1 1 113 113 LYS C C 13 176.25 0.15 . 1 . . . . . . . . 4720 1 847 . 1 1 113 113 LYS CA C 13 56.496 0.15 . 1 . . . . . . . . 4720 1 848 . 1 1 113 113 LYS CB C 13 32.421 0.15 . 1 . . . . . . . . 4720 1 849 . 1 1 113 113 LYS N N 15 120.034 0.15 . 1 . . . . . . . . 4720 1 850 . 1 1 114 114 TYR H H 1 7.896 0.02 . 1 . . . . . . . . 4720 1 851 . 1 1 114 114 TYR HA H 1 4.509 0.02 . 1 . . . . . . . . 4720 1 852 . 1 1 114 114 TYR HB2 H 1 3.025 0.02 . 1 . . . . . . . . 4720 1 853 . 1 1 114 114 TYR HB3 H 1 2.791 0.02 . 1 . . . . . . . . 4720 1 854 . 1 1 114 114 TYR C C 13 175.35 0.15 . 1 . . . . . . . . 4720 1 855 . 1 1 114 114 TYR CA C 13 57.469 0.15 . 1 . . . . . . . . 4720 1 856 . 1 1 114 114 TYR CB C 13 38.567 0.15 . 1 . . . . . . . . 4720 1 857 . 1 1 114 114 TYR N N 15 119.565 0.15 . 1 . . . . . . . . 4720 1 858 . 1 1 115 115 ARG H H 1 8.037 0.02 . 1 . . . . . . . . 4720 1 859 . 1 1 115 115 ARG HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 860 . 1 1 115 115 ARG HB2 H 1 1.650 0.02 . 1 . . . . . . . . 4720 1 861 . 1 1 115 115 ARG HB3 H 1 1.650 0.02 . 1 . . . . . . . . 4720 1 862 . 1 1 115 115 ARG C C 13 175.814 0.15 . 1 . . . . . . . . 4720 1 863 . 1 1 115 115 ARG CA C 13 55.828 0.15 . 1 . . . . . . . . 4720 1 864 . 1 1 115 115 ARG CB C 13 30.768 0.15 . 1 . . . . . . . . 4720 1 865 . 1 1 115 115 ARG N N 15 122.284 0.15 . 1 . . . . . . . . 4720 1 866 . 1 1 116 116 ILE H H 1 8.078 0.02 . 1 . . . . . . . . 4720 1 867 . 1 1 116 116 ILE HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 868 . 1 1 116 116 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 869 . 1 1 116 116 ILE C C 13 176.148 0.15 . 1 . . . . . . . . 4720 1 870 . 1 1 116 116 ILE CA C 13 61.297 0.15 . 1 . . . . . . . . 4720 1 871 . 1 1 116 116 ILE CB C 13 38.421 0.15 . 1 . . . . . . . . 4720 1 872 . 1 1 116 116 ILE N N 15 122.096 0.15 . 1 . . . . . . . . 4720 1 873 . 1 1 117 117 GLN H H 1 8.371 0.02 . 1 . . . . . . . . 4720 1 874 . 1 1 117 117 GLN HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 875 . 1 1 117 117 GLN HB2 H 1 1.980 0.02 . 1 . . . . . . . . 4720 1 876 . 1 1 117 117 GLN HB3 H 1 1.980 0.02 . 1 . . . . . . . . 4720 1 877 . 1 1 117 117 GLN C C 13 175.829 0.15 . 1 . . . . . . . . 4720 1 878 . 1 1 117 117 GLN CA C 13 55.937 0.15 . 1 . . . . . . . . 4720 1 879 . 1 1 117 117 GLN CB C 13 29.237 0.15 . 1 . . . . . . . . 4720 1 880 . 1 1 117 117 GLN N N 15 123.972 0.15 . 1 . . . . . . . . 4720 1 881 . 1 1 118 118 GLU H H 1 8.389 0.02 . 1 . . . . . . . . 4720 1 882 . 1 1 118 118 GLU HA H 1 4.205 0.02 . 1 . . . . . . . . 4720 1 883 . 1 1 118 118 GLU HB2 H 1 1.983 0.02 . 1 . . . . . . . . 4720 1 884 . 1 1 118 118 GLU HB3 H 1 1.983 0.02 . 1 . . . . . . . . 4720 1 885 . 1 1 118 118 GLU C C 13 176.308 0.15 . 1 . . . . . . . . 4720 1 886 . 1 1 118 118 GLU CA C 13 56.594 0.15 . 1 . . . . . . . . 4720 1 887 . 1 1 118 118 GLU CB C 13 29.854 0.15 . 1 . . . . . . . . 4720 1 888 . 1 1 118 118 GLU N N 15 122.284 0.15 . 1 . . . . . . . . 4720 1 889 . 1 1 119 119 GLN H H 1 8.318 0.02 . 1 . . . . . . . . 4720 1 890 . 1 1 119 119 GLN HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 891 . 1 1 119 119 GLN HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 892 . 1 1 119 119 GLN HB3 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 893 . 1 1 119 119 GLN C C 13 175.864 0.15 . 1 . . . . . . . . 4720 1 894 . 1 1 119 119 GLN CA C 13 55.828 0.15 . 1 . . . . . . . . 4720 1 895 . 1 1 119 119 GLN CB C 13 29.383 0.15 . 1 . . . . . . . . 4720 1 896 . 1 1 119 119 GLN N N 15 120.69 0.15 . 1 . . . . . . . . 4720 1 897 . 1 1 120 120 GLU H H 1 8.424 0.02 . 1 . . . . . . . . 4720 1 898 . 1 1 120 120 GLU HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 899 . 1 1 120 120 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 900 . 1 1 120 120 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 901 . 1 1 120 120 GLU C C 13 176.366 0.15 . 1 . . . . . . . . 4720 1 902 . 1 1 120 120 GLU CA C 13 56.484 0.15 . 1 . . . . . . . . 4720 1 903 . 1 1 120 120 GLU CB C 13 29.893 0.15 . 1 . . . . . . . . 4720 1 904 . 1 1 120 120 GLU N N 15 122.19 0.15 . 1 . . . . . . . . 4720 1 905 . 1 1 121 121 SER H H 1 8.336 0.02 . 1 . . . . . . . . 4720 1 906 . 1 1 121 121 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 907 . 1 1 121 121 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 908 . 1 1 121 121 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 909 . 1 1 121 121 SER C C 13 174.594 0.15 . 1 . . . . . . . . 4720 1 910 . 1 1 121 121 SER CA C 13 58.016 0.15 . 1 . . . . . . . . 4720 1 911 . 1 1 121 121 SER CB C 13 63.64 0.15 . 1 . . . . . . . . 4720 1 912 . 1 1 121 121 SER N N 15 116.846 0.15 . 1 . . . . . . . . 4720 1 913 . 1 1 122 122 SER H H 1 8.447 0.02 . 1 . . . . . . . . 4720 1 914 . 1 1 122 122 SER HA H 1 4.431 0.02 . 1 . . . . . . . . 4720 1 915 . 1 1 122 122 SER HB2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 916 . 1 1 122 122 SER HB3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 917 . 1 1 122 122 SER C C 13 174.972 0.15 . 1 . . . . . . . . 4720 1 918 . 1 1 122 122 SER CA C 13 58.453 0.15 . 1 . . . . . . . . 4720 1 919 . 1 1 122 122 SER CB C 13 63.859 0.15 . 1 . . . . . . . . 4720 1 920 . 1 1 122 122 SER N N 15 118.158 0.15 . 1 . . . . . . . . 4720 1 921 . 1 1 123 123 GLY H H 1 8.406 0.02 . 1 . . . . . . . . 4720 1 922 . 1 1 123 123 GLY HA2 H 1 3.932 0.02 . 1 . . . . . . . . 4720 1 923 . 1 1 123 123 GLY HA3 H 1 3.932 0.02 . 1 . . . . . . . . 4720 1 924 . 1 1 123 123 GLY C C 13 174.144 0.15 . 1 . . . . . . . . 4720 1 925 . 1 1 123 123 GLY CA C 13 45.218 0.15 . 1 . . . . . . . . 4720 1 926 . 1 1 123 123 GLY N N 15 110.845 0.15 . 1 . . . . . . . . 4720 1 927 . 1 1 124 124 GLU H H 1 8.230 0.02 . 1 . . . . . . . . 4720 1 928 . 1 1 124 124 GLU HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 929 . 1 1 124 124 GLU HB2 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 930 . 1 1 124 124 GLU HB3 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 931 . 1 1 124 124 GLU HG2 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 932 . 1 1 124 124 GLU HG3 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 933 . 1 1 124 124 GLU C C 13 176.613 0.15 . 1 . . . . . . . . 4720 1 934 . 1 1 124 124 GLU CA C 13 56.375 0.15 . 1 . . . . . . . . 4720 1 935 . 1 1 124 124 GLU CB C 13 29.837 0.15 . 1 . . . . . . . . 4720 1 936 . 1 1 124 124 GLU N N 15 120.221 0.15 . 1 . . . . . . . . 4720 1 937 . 1 1 125 125 GLU H H 1 8.535 0.02 . 1 . . . . . . . . 4720 1 938 . 1 1 125 125 GLU HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 939 . 1 1 125 125 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 940 . 1 1 125 125 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 941 . 1 1 125 125 GLU C C 13 176.395 0.15 . 1 . . . . . . . . 4720 1 942 . 1 1 125 125 GLU CA C 13 56.594 0.15 . 1 . . . . . . . . 4720 1 943 . 1 1 125 125 GLU CB C 13 29.893 0.15 . 1 . . . . . . . . 4720 1 944 . 1 1 125 125 GLU N N 15 121.628 0.15 . 1 . . . . . . . . 4720 1 945 . 1 1 126 126 ASP H H 1 8.383 0.02 . 1 . . . . . . . . 4720 1 946 . 1 1 126 126 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 947 . 1 1 126 126 ASP HB2 H 1 2.644 0.02 . 1 . . . . . . . . 4720 1 948 . 1 1 126 126 ASP HB3 H 1 2.644 0.02 . 1 . . . . . . . . 4720 1 949 . 1 1 126 126 ASP C C 13 176.584 0.15 . 1 . . . . . . . . 4720 1 950 . 1 1 126 126 ASP CA C 13 54.491 0.15 . 1 . . . . . . . . 4720 1 951 . 1 1 126 126 ASP CB C 13 40.471 0.15 . 1 . . . . . . . . 4720 1 952 . 1 1 126 126 ASP N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 953 . 1 1 127 127 SER H H 1 8.101 0.02 . 1 . . . . . . . . 4720 1 954 . 1 1 127 127 SER HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 955 . 1 1 127 127 SER HB2 H 1 4.025 0.02 . 1 . . . . . . . . 4720 1 956 . 1 1 127 127 SER HB3 H 1 4.025 0.02 . 1 . . . . . . . . 4720 1 957 . 1 1 127 127 SER C C 13 174.289 0.15 . 1 . . . . . . . . 4720 1 958 . 1 1 127 127 SER CA C 13 59.328 0.15 . 1 . . . . . . . . 4720 1 959 . 1 1 127 127 SER CB C 13 63.422 0.15 . 1 . . . . . . . . 4720 1 960 . 1 1 127 127 SER N N 15 115.439 0.15 . 1 . . . . . . . . 4720 1 961 . 1 1 128 128 ASP H H 1 8.383 0.02 . 1 . . . . . . . . 4720 1 962 . 1 1 128 128 ASP HA H 1 4.587 0.02 . 1 . . . . . . . . 4720 1 963 . 1 1 128 128 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 964 . 1 1 128 128 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 965 . 1 1 128 128 ASP C C 13 175.742 0.15 . 1 . . . . . . . . 4720 1 966 . 1 1 128 128 ASP CA C 13 54.137 0.15 . 1 . . . . . . . . 4720 1 967 . 1 1 128 128 ASP CB C 13 40.471 0.15 . 1 . . . . . . . . 4720 1 968 . 1 1 128 128 ASP N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 969 . 1 1 129 129 LEU H H 1 7.591 0.02 . 1 . . . . . . . . 4720 1 970 . 1 1 129 129 LEU HA H 1 4.392 0.02 . 1 . . . . . . . . 4720 1 971 . 1 1 129 129 LEU HB2 H 1 1.619 0.02 . 1 . . . . . . . . 4720 1 972 . 1 1 129 129 LEU HB3 H 1 1.619 0.02 . 1 . . . . . . . . 4720 1 973 . 1 1 129 129 LEU C C 13 177.107 0.15 . 1 . . . . . . . . 4720 1 974 . 1 1 129 129 LEU CA C 13 54.297 0.15 . 1 . . . . . . . . 4720 1 975 . 1 1 129 129 LEU CB C 13 43.232 0.15 . 1 . . . . . . . . 4720 1 976 . 1 1 129 129 LEU N N 15 120.69 0.15 . 1 . . . . . . . . 4720 1 977 . 1 1 130 130 SER H H 1 8.746 0.02 . 1 . . . . . . . . 4720 1 978 . 1 1 130 130 SER HA H 1 4.664 0.02 . 1 . . . . . . . . 4720 1 979 . 1 1 130 130 SER C C 13 172.982 0.15 . 1 . . . . . . . . 4720 1 980 . 1 1 130 130 SER CA C 13 56.482 0.15 . 1 . . . . . . . . 4720 1 981 . 1 1 130 130 SER CB C 13 62.62 0.15 . 1 . . . . . . . . 4720 1 982 . 1 1 130 130 SER N N 15 119.565 0.15 . 1 . . . . . . . . 4720 1 983 . 1 1 131 131 PRO HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 984 . 1 1 131 131 PRO HB2 H 1 1.892 0.02 . 1 . . . . . . . . 4720 1 985 . 1 1 131 131 PRO HB3 H 1 1.892 0.02 . 1 . . . . . . . . 4720 1 986 . 1 1 131 131 PRO C C 13 179.314 0.15 . 1 . . . . . . . . 4720 1 987 . 1 1 131 131 PRO CA C 13 65.891 0.15 . 1 . . . . . . . . 4720 1 988 . 1 1 131 131 PRO CB C 13 31.570 0.15 . 1 . . . . . . . . 4720 1 989 . 1 1 132 132 GLU H H 1 8.753 0.02 . 1 . . . . . . . . 4720 1 990 . 1 1 132 132 GLU HA H 1 4.039 0.02 . 1 . . . . . . . . 4720 1 991 . 1 1 132 132 GLU C C 13 179.154 0.15 . 1 . . . . . . . . 4720 1 992 . 1 1 132 132 GLU CA C 13 59.656 0.15 . 1 . . . . . . . . 4720 1 993 . 1 1 132 132 GLU CB C 13 28.727 0.15 . 1 . . . . . . . . 4720 1 994 . 1 1 132 132 GLU N N 15 117.596 0.15 . 1 . . . . . . . . 4720 1 995 . 1 1 133 133 GLU H H 1 7.808 0.02 . 1 . . . . . . . . 4720 1 996 . 1 1 133 133 GLU HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 997 . 1 1 133 133 GLU C C 13 179.297 0.15 . 1 . . . . . . . . 4720 1 998 . 1 1 133 133 GLU CA C 13 58.672 0.15 . 1 . . . . . . . . 4720 1 999 . 1 1 133 133 GLU CB C 13 29.808 0.15 . 1 . . . . . . . . 4720 1 1000 . 1 1 133 133 GLU N N 15 120.784 0.15 . 1 . . . . . . . . 4720 1 1001 . 1 1 134 134 ARG H H 1 8.600 0.02 . 1 . . . . . . . . 4720 1 1002 . 1 1 134 134 ARG HA H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 1003 . 1 1 134 134 ARG HB2 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 1004 . 1 1 134 134 ARG HB3 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 1005 . 1 1 134 134 ARG C C 13 178.632 0.15 . 1 . . . . . . . . 4720 1 1006 . 1 1 134 134 ARG CA C 13 58.672 0.15 . 1 . . . . . . . . 4720 1 1007 . 1 1 134 134 ARG CB C 13 29.893 0.15 . 1 . . . . . . . . 4720 1 1008 . 1 1 134 134 ARG N N 15 120.784 0.15 . 1 . . . . . . . . 4720 1 1009 . 1 1 135 135 GLU H H 1 7.948 0.02 . 1 . . . . . . . . 4720 1 1010 . 1 1 135 135 GLU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 1011 . 1 1 135 135 GLU HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 1012 . 1 1 135 135 GLU HB3 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 1013 . 1 1 135 135 GLU C C 13 178.167 0.15 . 1 . . . . . . . . 4720 1 1014 . 1 1 135 135 GLU CA C 13 58.344 0.15 . 1 . . . . . . . . 4720 1 1015 . 1 1 135 135 GLU CB C 13 28.581 0.15 . 1 . . . . . . . . 4720 1 1016 . 1 1 135 135 GLU N N 15 120.127 0.15 . 1 . . . . . . . . 4720 1 1017 . 1 1 136 136 LYS H H 1 7.761 0.02 . 1 . . . . . . . . 4720 1 1018 . 1 1 136 136 LYS HA H 1 3.964 0.002 . 1 . . . . . . . . 4720 1 1019 . 1 1 136 136 LYS C C 13 179.011 0.15 . 1 . . . . . . . . 4720 1 1020 . 1 1 136 136 LYS CA C 13 59.219 0.15 . 1 . . . . . . . . 4720 1 1021 . 1 1 136 136 LYS CB C 13 32.157 0.15 . 1 . . . . . . . . 4720 1 1022 . 1 1 136 136 LYS N N 15 120.034 0.15 . 1 . . . . . . . . 4720 1 1023 . 1 1 137 137 LYS H H 1 7.872 0.02 . 1 . . . . . . . . 4720 1 1024 . 1 1 137 137 LYS HA H 1 4.080 0.02 . 1 . . . . . . . . 4720 1 1025 . 1 1 137 137 LYS HB2 H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 1026 . 1 1 137 137 LYS HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 1027 . 1 1 137 137 LYS C C 13 178.109 0.15 . 1 . . . . . . . . 4720 1 1028 . 1 1 137 137 LYS CA C 13 59.097 0.15 . 1 . . . . . . . . 4720 1 1029 . 1 1 137 137 LYS CB C 13 32.248 0.15 . 1 . . . . . . . . 4720 1 1030 . 1 1 137 137 LYS N N 15 119.94 0.15 . 1 . . . . . . . . 4720 1 1031 . 1 1 138 138 ARG H H 1 7.984 0.02 . 1 . . . . . . . . 4720 1 1032 . 1 1 138 138 ARG HA H 1 4.041 0.02 . 1 . . . . . . . . 4720 1 1033 . 1 1 138 138 ARG HB2 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 1034 . 1 1 138 138 ARG HB3 H 1 1.931 0.02 . 1 . . . . . . . . 4720 1 1035 . 1 1 138 138 ARG C C 13 178.843 0.15 . 1 . . . . . . . . 4720 1 1036 . 1 1 138 138 ARG CA C 13 58.891 0.15 . 1 . . . . . . . . 4720 1 1037 . 1 1 138 138 ARG CB C 13 30.185 0.15 . 1 . . . . . . . . 4720 1 1038 . 1 1 138 138 ARG N N 15 120.034 0.15 . 1 . . . . . . . . 4720 1 1039 . 1 1 139 139 GLN H H 1 8.183 0.02 . 1 . . . . . . . . 4720 1 1040 . 1 1 139 139 GLN HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 1041 . 1 1 139 139 GLN C C 13 178.022 0.15 . 1 . . . . . . . . 4720 1 1042 . 1 1 139 139 GLN CA C 13 58.344 0.15 . 1 . . . . . . . . 4720 1 1043 . 1 1 139 139 GLN CB C 13 28.071 0.15 . 1 . . . . . . . . 4720 1 1044 . 1 1 139 139 GLN N N 15 118.065 0.15 . 1 . . . . . . . . 4720 1 1045 . 1 1 140 140 PHE H H 1 8.083 0.02 . 1 . . . . . . . . 4720 1 1046 . 1 1 140 140 PHE HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 1047 . 1 1 140 140 PHE HB2 H 1 3.220 0.02 . 1 . . . . . . . . 4720 1 1048 . 1 1 140 140 PHE HB3 H 1 3.220 0.02 . 1 . . . . . . . . 4720 1 1049 . 1 1 140 140 PHE C C 13 177.614 0.15 . 1 . . . . . . . . 4720 1 1050 . 1 1 140 140 PHE CA C 13 60.422 0.15 . 1 . . . . . . . . 4720 1 1051 . 1 1 140 140 PHE CB C 13 38.786 0.15 . 1 . . . . . . . . 4720 1 1052 . 1 1 140 140 PHE N N 15 120.315 0.15 . 1 . . . . . . . . 4720 1 1053 . 1 1 141 141 GLU H H 1 8.265 0.02 . 1 . . . . . . . . 4720 1 1054 . 1 1 141 141 GLU HA H 1 3.962 0.02 . 1 . . . . . . . . 4720 1 1055 . 1 1 141 141 GLU HB2 H 1 2.048 0.02 . 1 . . . . . . . . 4720 1 1056 . 1 1 141 141 GLU HB3 H 1 2.048 0.02 . 1 . . . . . . . . 4720 1 1057 . 1 1 141 141 GLU C C 13 178.37 0.15 . 1 . . . . . . . . 4720 1 1058 . 1 1 141 141 GLU CA C 13 58.234 0.15 . 1 . . . . . . . . 4720 1 1059 . 1 1 141 141 GLU CB C 13 29.237 0.15 . 1 . . . . . . . . 4720 1 1060 . 1 1 141 141 GLU N N 15 119.377 0.15 . 1 . . . . . . . . 4720 1 1061 . 1 1 142 142 MET H H 1 8.037 0.02 . 1 . . . . . . . . 4720 1 1062 . 1 1 142 142 MET HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 1063 . 1 1 142 142 MET C C 13 177.68 0.15 . 1 . . . . . . . . 4720 1 1064 . 1 1 142 142 MET CA C 13 57.578 0.15 . 1 . . . . . . . . 4720 1 1065 . 1 1 142 142 MET CB C 13 32.258 0.15 . 1 . . . . . . . . 4720 1 1066 . 1 1 142 142 MET N N 15 118.815 0.15 . 1 . . . . . . . . 4720 1 1067 . 1 1 143 143 LYS H H 1 7.802 0.02 . 1 . . . . . . . . 4720 1 1068 . 1 1 143 143 LYS HA H 1 4.000 0.02 . 1 . . . . . . . . 4720 1 1069 . 1 1 143 143 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1070 . 1 1 143 143 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1071 . 1 1 143 143 LYS C C 13 177.688 0.15 . 1 . . . . . . . . 4720 1 1072 . 1 1 143 143 LYS CA C 13 57.984 0.15 . 1 . . . . . . . . 4720 1 1073 . 1 1 143 143 LYS CB C 13 32.226 0.15 . 1 . . . . . . . . 4720 1 1074 . 1 1 143 143 LYS N N 15 119.471 0.15 . 1 . . . . . . . . 4720 1 1075 . 1 1 144 144 ARG H H 1 7.784 0.02 . 1 . . . . . . . . 4720 1 1076 . 1 1 144 144 ARG HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 1077 . 1 1 144 144 ARG HB2 H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 1078 . 1 1 144 144 ARG HB3 H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 1079 . 1 1 144 144 ARG HG2 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 1080 . 1 1 144 144 ARG HG3 H 1 1.658 0.02 . 1 . . . . . . . . 4720 1 1081 . 1 1 144 144 ARG C C 13 177.238 0.15 . 1 . . . . . . . . 4720 1 1082 . 1 1 144 144 ARG CA C 13 57.469 0.15 . 1 . . . . . . . . 4720 1 1083 . 1 1 144 144 ARG CB C 13 32.226 0.15 . 1 . . . . . . . . 4720 1 1084 . 1 1 144 144 ARG N N 15 119.659 0.15 . 1 . . . . . . . . 4720 1 1085 . 1 1 145 145 LYS H H 1 7.860 0.02 . 1 . . . . . . . . 4720 1 1086 . 1 1 145 145 LYS HA H 1 4.080 0.02 . 1 . . . . . . . . 4720 1 1087 . 1 1 145 145 LYS HB2 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 1088 . 1 1 145 145 LYS HB3 H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 1089 . 1 1 145 145 LYS C C 13 176.991 0.15 . 1 . . . . . . . . 4720 1 1090 . 1 1 145 145 LYS CA C 13 57.250 0.15 . 1 . . . . . . . . 4720 1 1091 . 1 1 145 145 LYS CB C 13 32.421 0.15 . 1 . . . . . . . . 4720 1 1092 . 1 1 145 145 LYS N N 15 119.940 0.15 . 1 . . . . . . . . 4720 1 1093 . 1 1 146 146 LEU H H 1 7.831 0.02 . 1 . . . . . . . . 4720 1 1094 . 1 1 146 146 LEU HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 1095 . 1 1 146 146 LEU HB2 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 1096 . 1 1 146 146 LEU HB3 H 1 1.580 0.02 . 1 . . . . . . . . 4720 1 1097 . 1 1 146 146 LEU C C 13 177.372 0.15 . 1 . . . . . . . . 4720 1 1098 . 1 1 146 146 LEU CA C 13 55.719 0.15 . 1 . . . . . . . . 4720 1 1099 . 1 1 146 146 LEU CB C 13 41.993 0.15 . 1 . . . . . . . . 4720 1 1100 . 1 1 146 146 LEU N N 15 120.596 0.15 . 1 . . . . . . . . 4720 1 1101 . 1 1 147 147 HIS H H 1 8.142 0.02 . 1 . . . . . . . . 4720 1 1102 . 1 1 147 147 HIS HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 1103 . 1 1 147 147 HIS HB2 H 1 3.142 0.02 . 1 . . . . . . . . 4720 1 1104 . 1 1 147 147 HIS HB3 H 1 3.142 0.02 . 1 . . . . . . . . 4720 1 1105 . 1 1 147 147 HIS C C 13 174.594 0.15 . 1 . . . . . . . . 4720 1 1106 . 1 1 147 147 HIS CA C 13 55.500 0.15 . 1 . . . . . . . . 4720 1 1107 . 1 1 147 147 HIS CB C 13 28.509 0.15 . 1 . . . . . . . . 4720 1 1108 . 1 1 147 147 HIS N N 15 117.127 0.15 . 1 . . . . . . . . 4720 1 1109 . 1 1 148 148 TYR H H 1 8.095 0.02 . 1 . . . . . . . . 4720 1 1110 . 1 1 148 148 TYR HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 1111 . 1 1 148 148 TYR HB2 H 1 2.947 0.02 . 1 . . . . . . . . 4720 1 1112 . 1 1 148 148 TYR HB3 H 1 2.947 0.02 . 1 . . . . . . . . 4720 1 1113 . 1 1 148 148 TYR C C 13 175.683 0.15 . 1 . . . . . . . . 4720 1 1114 . 1 1 148 148 TYR CA C 13 58.563 0.15 . 1 . . . . . . . . 4720 1 1115 . 1 1 148 148 TYR CB C 13 38.494 0.15 . 1 . . . . . . . . 4720 1 1116 . 1 1 148 148 TYR N N 15 121.159 0.15 . 1 . . . . . . . . 4720 1 1117 . 1 1 149 149 ASN H H 1 8.324 0.02 . 1 . . . . . . . . 4720 1 1118 . 1 1 149 149 ASN HA H 1 4.450 0.02 . 1 . . . . . . . . 4720 1 1119 . 1 1 149 149 ASN HB2 H 1 2.752 0.02 . 1 . . . . . . . . 4720 1 1120 . 1 1 149 149 ASN HB3 H 1 2.752 0.02 . 1 . . . . . . . . 4720 1 1121 . 1 1 149 149 ASN C C 13 175.166 0.15 . 1 . . . . . . . . 4720 1 1122 . 1 1 149 149 ASN CA C 13 53.422 0.15 . 1 . . . . . . . . 4720 1 1123 . 1 1 149 149 ASN CB C 13 38.494 0.15 . 1 . . . . . . . . 4720 1 1124 . 1 1 149 149 ASN N N 15 120.221 0.15 . 1 . . . . . . . . 4720 1 1125 . 1 1 150 150 GLU H H 1 8.189 0.02 . 1 . . . . . . . . 4720 1 1126 . 1 1 150 150 GLU HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 1127 . 1 1 150 150 GLU HB2 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 1128 . 1 1 150 150 GLU HB3 H 1 1.970 0.02 . 1 . . . . . . . . 4720 1 1129 . 1 1 150 150 GLU C C 13 176.962 0.15 . 1 . . . . . . . . 4720 1 1130 . 1 1 150 150 GLU CA C 13 57.250 0.15 . 1 . . . . . . . . 4720 1 1131 . 1 1 150 150 GLU CB C 13 29.675 0.15 . 1 . . . . . . . . 4720 1 1132 . 1 1 150 150 GLU N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 1133 . 1 1 151 151 GLY H H 1 8.259 0.02 . 1 . . . . . . . . 4720 1 1134 . 1 1 151 151 GLY HA2 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 1135 . 1 1 151 151 GLY HA3 H 1 3.845 0.02 . 1 . . . . . . . . 4720 1 1136 . 1 1 151 151 GLY C C 13 174.334 0.15 . 1 . . . . . . . . 4720 1 1137 . 1 1 151 151 GLY CA C 13 45.546 0.15 . 1 . . . . . . . . 4720 1 1138 . 1 1 151 151 GLY N N 15 108.689 0.15 . 1 . . . . . . . . 4720 1 1139 . 1 1 152 152 LEU H H 1 7.849 0.02 . 1 . . . . . . . . 4720 1 1140 . 1 1 152 152 LEU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 1141 . 1 1 152 152 LEU HB2 H 1 1.526 0.02 . 1 . . . . . . . . 4720 1 1142 . 1 1 152 152 LEU HB3 H 1 1.526 0.02 . 1 . . . . . . . . 4720 1 1143 . 1 1 152 152 LEU C C 13 177.15 0.15 . 1 . . . . . . . . 4720 1 1144 . 1 1 152 152 LEU CA C 13 55.500 0.15 . 1 . . . . . . . . 4720 1 1145 . 1 1 152 152 LEU CB C 13 42.211 0.15 . 1 . . . . . . . . 4720 1 1146 . 1 1 152 152 LEU N N 15 121.159 0.15 . 1 . . . . . . . . 4720 1 1147 . 1 1 153 153 ASN H H 1 8.289 0.02 . 1 . . . . . . . . 4720 1 1148 . 1 1 153 153 ASN HA H 1 4.550 0.02 . 1 . . . . . . . . 4720 1 1149 . 1 1 153 153 ASN HB2 H 1 2.760 0.02 . 1 . . . . . . . . 4720 1 1150 . 1 1 153 153 ASN HB3 H 1 2.760 0.02 . 1 . . . . . . . . 4720 1 1151 . 1 1 153 153 ASN C C 13 175.553 0.15 . 1 . . . . . . . . 4720 1 1152 . 1 1 153 153 ASN CA C 13 53.531 0.15 . 1 . . . . . . . . 4720 1 1153 . 1 1 153 153 ASN CB C 13 38.275 0.15 . 1 . . . . . . . . 4720 1 1154 . 1 1 153 153 ASN N N 15 118.909 0.15 . 1 . . . . . . . . 4720 1 1155 . 1 1 154 154 ILE H H 1 7.896 0.02 . 1 . . . . . . . . 4720 1 1156 . 1 1 154 154 ILE HA H 1 4.002 0.02 . 1 . . . . . . . . 4720 1 1157 . 1 1 154 154 ILE HB H 1 1.775 0.02 . 1 . . . . . . . . 4720 1 1158 . 1 1 154 154 ILE C C 13 176.294 0.15 . 1 . . . . . . . . 4720 1 1159 . 1 1 154 154 ILE CA C 13 61.844 0.15 . 1 . . . . . . . . 4720 1 1160 . 1 1 154 154 ILE CB C 13 38.203 0.15 . 1 . . . . . . . . 4720 1 1161 . 1 1 154 154 ILE N N 15 121.065 0.15 . 1 . . . . . . . . 4720 1 1162 . 1 1 155 155 LYS H H 1 8.113 0.02 . 1 . . . . . . . . 4720 1 1163 . 1 1 155 155 LYS HA H 1 4.158 0.02 . 1 . . . . . . . . 4720 1 1164 . 1 1 155 155 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1165 . 1 1 155 155 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1166 . 1 1 155 155 LYS C C 13 177.136 0.15 . 1 . . . . . . . . 4720 1 1167 . 1 1 155 155 LYS CA C 13 57.141 0.15 . 1 . . . . . . . . 4720 1 1168 . 1 1 155 155 LYS CB C 13 32.444 0.15 . 1 . . . . . . . . 4720 1 1169 . 1 1 155 155 LYS N N 15 123.597 0.15 . 1 . . . . . . . . 4720 1 1170 . 1 1 156 156 LEU H H 1 8.001 0.02 . 1 . . . . . . . . 4720 1 1171 . 1 1 156 156 LEU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 1172 . 1 1 156 156 LEU HB2 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 1173 . 1 1 156 156 LEU HB3 H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 1174 . 1 1 156 156 LEU C C 13 177.426 0.15 . 1 . . . . . . . . 4720 1 1175 . 1 1 156 156 LEU CA C 13 55.390 0.15 . 1 . . . . . . . . 4720 1 1176 . 1 1 156 156 LEU CB C 13 41.993 0.15 . 1 . . . . . . . . 4720 1 1177 . 1 1 156 156 LEU N N 15 121.909 0.15 . 1 . . . . . . . . 4720 1 1178 . 1 1 157 157 ALA H H 1 8.078 0.02 . 1 . . . . . . . . 4720 1 1179 . 1 1 157 157 ALA HA H 1 4.167 0.02 . 1 . . . . . . . . 4720 1 1180 . 1 1 157 157 ALA HB1 H 1 1.348 0.02 . 1 . . . . . . . . 4720 1 1181 . 1 1 157 157 ALA HB2 H 1 1.348 0.02 . 1 . . . . . . . . 4720 1 1182 . 1 1 157 157 ALA HB3 H 1 1.348 0.02 . 1 . . . . . . . . 4720 1 1183 . 1 1 157 157 ALA C C 13 178.152 0.15 . 1 . . . . . . . . 4720 1 1184 . 1 1 157 157 ALA CA C 13 53.093 0.15 . 1 . . . . . . . . 4720 1 1185 . 1 1 157 157 ALA CB C 13 18.814 0.15 . 1 . . . . . . . . 4720 1 1186 . 1 1 157 157 ALA N N 15 123.69 0.15 . 1 . . . . . . . . 4720 1 1187 . 1 1 158 158 ARG HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 1188 . 1 1 158 158 ARG HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1189 . 1 1 158 158 ARG HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1190 . 1 1 158 158 ARG C C 13 176.616 0.15 . 1 . . . . . . . . 4720 1 1191 . 1 1 158 158 ARG CA C 13 56.627 0.15 . 1 . . . . . . . . 4720 1 1192 . 1 1 158 158 ARG CB C 13 30.418 0.15 . 1 . . . . . . . . 4720 1 1193 . 1 1 159 159 GLN H H 1 8.160 0.02 . 1 . . . . . . . . 4720 1 1194 . 1 1 159 159 GLN HA H 1 4.210 0.02 . 1 . . . . . . . . 4720 1 1195 . 1 1 159 159 GLN HB2 H 1 2.021 0.02 . 1 . . . . . . . . 4720 1 1196 . 1 1 159 159 GLN HB3 H 1 2.021 0.02 . 1 . . . . . . . . 4720 1 1197 . 1 1 159 159 GLN C C 13 175.993 0.15 . 1 . . . . . . . . 4720 1 1198 . 1 1 159 159 GLN CA C 13 56.209 0.15 . 1 . . . . . . . . 4720 1 1199 . 1 1 159 159 GLN CB C 13 29.092 0.15 . 1 . . . . . . . . 4720 1 1200 . 1 1 159 159 GLN N N 15 120.221 0.15 . 1 . . . . . . . . 4720 1 1201 . 1 1 160 160 LEU H H 1 8.095 0.02 . 1 . . . . . . . . 4720 1 1202 . 1 1 160 160 LEU HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 1203 . 1 1 160 160 LEU HB2 H 1 2.517 0.02 . 1 . . . . . . . . 4720 1 1204 . 1 1 160 160 LEU HB3 H 1 2.517 0.02 . 1 . . . . . . . . 4720 1 1205 . 1 1 160 160 LEU HG H 1 1.541 0.02 . 1 . . . . . . . . 4720 1 1206 . 1 1 160 160 LEU C C 13 177.238 0.15 . 1 . . . . . . . . 4720 1 1207 . 1 1 160 160 LEU CA C 13 55.281 0.15 . 1 . . . . . . . . 4720 1 1208 . 1 1 160 160 LEU CB C 13 41.993 0.15 . 1 . . . . . . . . 4720 1 1209 . 1 1 160 160 LEU N N 15 122.378 0.15 . 1 . . . . . . . . 4720 1 1210 . 1 1 161 161 ILE H H 1 7.919 0.02 . 1 . . . . . . . . 4720 1 1211 . 1 1 161 161 ILE HA H 1 4.119 0.02 . 1 . . . . . . . . 4720 1 1212 . 1 1 161 161 ILE HB H 1 1.814 0.02 . 1 . . . . . . . . 4720 1 1213 . 1 1 161 161 ILE C C 13 176.076 0.15 . 1 . . . . . . . . 4720 1 1214 . 1 1 161 161 ILE CA C 13 60.969 0.15 . 1 . . . . . . . . 4720 1 1215 . 1 1 161 161 ILE CB C 13 38.567 0.15 . 1 . . . . . . . . 4720 1 1216 . 1 1 161 161 ILE N N 15 120.502 0.15 . 1 . . . . . . . . 4720 1 1217 . 1 1 162 162 SER H H 1 8.195 0.02 . 1 . . . . . . . . 4720 1 1218 . 1 1 162 162 SER HA H 1 4.353 0.02 . 1 . . . . . . . . 4720 1 1219 . 1 1 162 162 SER HB2 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 1220 . 1 1 162 162 SER HB3 H 1 3.806 0.02 . 1 . . . . . . . . 4720 1 1221 . 1 1 162 162 SER C C 13 174.478 0.15 . 1 . . . . . . . . 4720 1 1222 . 1 1 162 162 SER CA C 13 58.234 0.15 . 1 . . . . . . . . 4720 1 1223 . 1 1 162 162 SER CB C 13 63.495 0.15 . 1 . . . . . . . . 4720 1 1224 . 1 1 162 162 SER N N 15 119.19 0.15 . 1 . . . . . . . . 4720 1 1225 . 1 1 163 163 LYS H H 1 8.248 0.02 . 1 . . . . . . . . 4720 1 1226 . 1 1 163 163 LYS HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 1227 . 1 1 163 163 LYS HB2 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1228 . 1 1 163 163 LYS HB3 H 1 1.736 0.02 . 1 . . . . . . . . 4720 1 1229 . 1 1 163 163 LYS C C 13 175.976 0.15 . 1 . . . . . . . . 4720 1 1230 . 1 1 163 163 LYS CA C 13 56.484 0.15 . 1 . . . . . . . . 4720 1 1231 . 1 1 163 163 LYS CB C 13 32.736 0.15 . 1 . . . . . . . . 4720 1 1232 . 1 1 163 163 LYS N N 15 123.222 0.15 . 1 . . . . . . . . 4720 1 1233 . 1 1 164 164 ASP H H 1 8.236 0.02 . 1 . . . . . . . . 4720 1 1234 . 1 1 164 164 ASP HA H 1 4.509 0.02 . 1 . . . . . . . . 4720 1 1235 . 1 1 164 164 ASP HB2 H 1 2.292 0.02 . 1 . . . . . . . . 4720 1 1236 . 1 1 164 164 ASP HB3 H 1 2.292 0.02 . 1 . . . . . . . . 4720 1 1237 . 1 1 164 164 ASP C C 13 175.576 0.15 . 1 . . . . . . . . 4720 1 1238 . 1 1 164 164 ASP CA C 13 54.152 0.15 . 1 . . . . . . . . 4720 1 1239 . 1 1 164 164 ASP CB C 13 40.827 0.15 . 1 . . . . . . . . 4720 1 1240 . 1 1 164 164 ASP N N 15 120.596 0.15 . 1 . . . . . . . . 4720 1 1241 . 1 1 165 165 LEU H H 1 7.978 0.02 . 1 . . . . . . . . 4720 1 1242 . 1 1 165 165 LEU HA H 1 4.197 0.02 . 1 . . . . . . . . 4720 1 1243 . 1 1 165 165 LEU HB2 H 1 1.462 0.02 . 1 . . . . . . . . 4720 1 1244 . 1 1 165 165 LEU HB3 H 1 1.462 0.02 . 1 . . . . . . . . 4720 1 1245 . 1 1 165 165 LEU C C 13 176.962 0.15 . 1 . . . . . . . . 4720 1 1246 . 1 1 165 165 LEU CA C 13 55.062 0.15 . 1 . . . . . . . . 4720 1 1247 . 1 1 165 165 LEU CB C 13 42.066 0.15 . 1 . . . . . . . . 4720 1 1248 . 1 1 165 165 LEU N N 15 121.909 0.15 . 1 . . . . . . . . 4720 1 1249 . 1 1 166 166 HIS H H 1 8.435 0.02 . 1 . . . . . . . . 4720 1 1250 . 1 1 166 166 HIS HA H 1 4.587 0.02 . 1 . . . . . . . . 4720 1 1251 . 1 1 166 166 HIS HB2 H 1 3.181 0.02 . 1 . . . . . . . . 4720 1 1252 . 1 1 166 166 HIS HB3 H 1 3.181 0.02 . 1 . . . . . . . . 4720 1 1253 . 1 1 166 166 HIS C C 13 174.057 0.15 . 1 . . . . . . . . 4720 1 1254 . 1 1 166 166 HIS CA C 13 55.172 0.15 . 1 . . . . . . . . 4720 1 1255 . 1 1 166 166 HIS CB C 13 28.873 0.15 . 1 . . . . . . . . 4720 1 1256 . 1 1 166 166 HIS N N 15 118.627 0.15 . 1 . . . . . . . . 4720 1 1257 . 1 1 167 167 ASP H H 1 8.330 0.02 . 1 . . . . . . . . 4720 1 1258 . 1 1 167 167 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 1259 . 1 1 167 167 ASP HB2 H 1 2.595 0.02 . 1 . . . . . . . . 4720 1 1260 . 1 1 167 167 ASP HB3 H 1 2.595 0.02 . 1 . . . . . . . . 4720 1 1261 . 1 1 167 167 ASP C C 13 175.732 0.15 . 1 . . . . . . . . 4720 1 1262 . 1 1 167 167 ASP CA C 13 54.297 0.15 . 1 . . . . . . . . 4720 1 1263 . 1 1 167 167 ASP CB C 13 40.827 0.15 . 1 . . . . . . . . 4720 1 1264 . 1 1 167 167 ASP N N 15 121.815 0.15 . 1 . . . . . . . . 4720 1 1265 . 1 1 168 168 ASP H H 1 8.330 0.02 . 1 . . . . . . . . 4720 1 1266 . 1 1 168 168 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 1267 . 1 1 168 168 ASP HB2 H 1 2.614 0.02 . 1 . . . . . . . . 4720 1 1268 . 1 1 168 168 ASP HB3 H 1 2.614 0.02 . 1 . . . . . . . . 4720 1 1269 . 1 1 168 168 ASP C C 13 175.76 0.15 . 1 . . . . . . . . 4720 1 1270 . 1 1 168 168 ASP CA C 13 54.297 0.15 . 1 . . . . . . . . 4720 1 1271 . 1 1 168 168 ASP CB C 13 40.754 0.15 . 1 . . . . . . . . 4720 1 1272 . 1 1 168 168 ASP N N 15 120.315 0.15 . 1 . . . . . . . . 4720 1 1273 . 1 1 169 169 ASP H H 1 8.207 0.02 . 1 . . . . . . . . 4720 1 1274 . 1 1 169 169 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 1275 . 1 1 169 169 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 1276 . 1 1 169 169 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 1277 . 1 1 169 169 ASP C C 13 176.165 0.15 . 1 . . . . . . . . 4720 1 1278 . 1 1 169 169 ASP CA C 13 54.297 0.15 . 1 . . . . . . . . 4720 1 1279 . 1 1 169 169 ASP CB C 13 40.681 0.15 . 1 . . . . . . . . 4720 1 1280 . 1 1 169 169 ASP N N 15 120.127 0.15 . 1 . . . . . . . . 4720 1 1281 . 1 1 170 170 GLU H H 1 8.190 0.02 . 1 . . . . . . . . 4720 1 1282 . 1 1 170 170 GLU HA H 1 4.236 0.02 . 1 . . . . . . . . 4720 1 1283 . 1 1 170 170 GLU HB2 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 1284 . 1 1 170 170 GLU HB3 H 1 2.009 0.02 . 1 . . . . . . . . 4720 1 1285 . 1 1 170 170 GLU C C 13 176.021 0.15 . 1 . . . . . . . . 4720 1 1286 . 1 1 170 170 GLU CA C 13 56.333 0.15 . 1 . . . . . . . . 4720 1 1287 . 1 1 170 170 GLU CB C 13 29.748 0.15 . 1 . . . . . . . . 4720 1 1288 . 1 1 170 170 GLU N N 15 120.409 0.15 . 1 . . . . . . . . 4720 1 1289 . 1 1 171 171 ASP H H 1 8.283 0.02 . 1 . . . . . . . . 4720 1 1290 . 1 1 171 171 ASP HA H 1 4.548 0.02 . 1 . . . . . . . . 4720 1 1291 . 1 1 171 171 ASP HB2 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 1292 . 1 1 171 171 ASP HB3 H 1 2.634 0.02 . 1 . . . . . . . . 4720 1 1293 . 1 1 171 171 ASP C C 13 175.757 0.15 . 1 . . . . . . . . 4720 1 1294 . 1 1 171 171 ASP CA C 13 54.187 0.15 . 1 . . . . . . . . 4720 1 1295 . 1 1 171 171 ASP CB C 13 40.781 0.15 . 1 . . . . . . . . 4720 1 1296 . 1 1 171 171 ASP N N 15 120.878 0.15 . 1 . . . . . . . . 4720 1 1297 . 1 1 172 172 GLU H H 1 8.195 0.02 . 1 . . . . . . . . 4720 1 1298 . 1 1 172 172 GLU HA H 1 4.275 0.02 . 1 . . . . . . . . 4720 1 1299 . 1 1 172 172 GLU HB2 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 1300 . 1 1 172 172 GLU HB3 H 1 1.853 0.02 . 1 . . . . . . . . 4720 1 1301 . 1 1 172 172 GLU HG2 H 1 2.048 0.02 . 1 . . . . . . . . 4720 1 1302 . 1 1 172 172 GLU HG3 H 1 2.048 0.02 . 1 . . . . . . . . 4720 1 1303 . 1 1 172 172 GLU C C 13 175.372 0.15 . 1 . . . . . . . . 4720 1 1304 . 1 1 172 172 GLU CA C 13 56.047 0.15 . 1 . . . . . . . . 4720 1 1305 . 1 1 172 172 GLU CB C 13 30.039 0.15 . 1 . . . . . . . . 4720 1 1306 . 1 1 172 172 GLU N N 15 121.159 0.15 . 1 . . . . . . . . 4720 1 1307 . 1 1 173 173 GLU H H 1 7.960 0.02 . 2 . . . . . . . . 4720 1 1308 . 1 1 173 173 GLU HA H 1 4.071 0.02 . 1 . . . . . . . . 4720 1 1309 . 1 1 173 173 GLU C C 13 180.833 0.15 . 1 . . . . . . . . 4720 1 1310 . 1 1 173 173 GLU CA C 13 57.797 0.15 . 1 . . . . . . . . 4720 1 1311 . 1 1 173 173 GLU CB C 13 30.622 0.15 . 1 . . . . . . . . 4720 1 1312 . 1 1 173 173 GLU N N 15 126.691 0.15 . 1 . . . . . . . . 4720 1 stop_ save_