data_4671 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4671 _Entry.Title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of the Major Cherry Allergen Pru a 1 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2000-03-16 _Entry.Accession_date 2000-03-16 _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 Philipp Neudecker . . . 4671 2 Joerg Nerkamp . . . 4671 3 Kristian Schweimer . . . 4671 4 Heinrich Sticht . . . 4671 5 Markus Boehm . . . 4671 6 Stephan Scheurer . . . 4671 7 Stefan Vieths . . . 4671 8 Paul Roesch . . . 4671 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4671 coupling_constants 1 4671 heteronucl_NOEs 1 4671 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 1015 4671 '13C chemical shifts' 581 4671 '15N chemical shifts' 155 4671 'coupling constants' 97 4671 'heteronuclear NOE values' 133 4671 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2003-03-26 . update author 'addition of NOE data' 4671 2 . . 2001-05-31 . update author 'correct cs of N' 4671 3 . . 2000-09-27 . original author 'original release' 4671 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4671 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20513409 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequence-specific 1H, 13C and 15N Resonance Assignments of the Major Cherry Allergen Pru a 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 18 _Citation.Journal_issue 1 _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 71 _Citation.Page_last 72 _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 Philipp Neudecker . . . 4671 1 2 Kristian Schweimer . . . 4671 1 3 Joerg Nerkamp . . . 4671 1 4 Markus Boehm . . . 4671 1 5 Stephan Scheurer . . . 4671 1 6 Stefan Vieths . . . 4671 1 7 Heinrich Sticht . . . 4671 1 8 Paul Roesch . . . 4671 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'major cherry allergen' 4671 1 'pathogenesis-related protein' 4671 1 'heteronuclear NMR, structure' 4671 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4671 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; K. Schweimer, H. Sticht, J. Nerkamp, M. Boehm, M. Breitenbach, S. Vieths and P. Roesch. NMR Spectroscopy Reveals Common Structural Features of the Birch Pollen Allergen Bet v 1 and the Cherry Allergen Pru a 1 Appl. Magn. Reson. 17, 449-464 (1999). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Pru_a_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Pru_a_1 _Assembly.Entry_ID 4671 _Assembly.ID 1 _Assembly.Name 'Pru a 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _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 4671 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 'Pru a 1' 1 $Pru_a_1 . . . native . . . . . 4671 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Pru a 1' system 4671 1 'Pru a 1' abbreviation 4671 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Pru_a_1 _Entity.Sf_category entity _Entity.Sf_framecode Pru_a_1 _Entity.Entry_ID 4671 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Pru a 1' _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 ; GVFTYESEFTSEIPPPRLFK AFVLDADNLVPKIAPQAIKH SEILEGDGGPGTIKKITFGE GSQYGYVKHKIDSIDKENYS YSYTLIEGDALGDTLEKISY ETKLVASPSGGSIIKSTSHY HTKGNVEIKEEHVKAGKEKA SNLFKLIETYLKGHPDAYN ; _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 159 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 17529 _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 PDB 1E09 . "Solution Structure Of The Major Cherry Allergen Pru Av 1" . . . . . 100.00 159 100.00 100.00 9.00e-108 . . . . 4671 1 2 no PDB 1H2O . "Solution Structure Of The Major Cherry Allergen Pru Av 1 Mutant E45w" . . . . . 100.00 159 99.37 99.37 8.18e-107 . . . . 4671 1 3 no EMBL CAM35495 . "pru p 1 [Prunus persica]" . . . . . 100.00 160 98.11 99.37 1.24e-105 . . . . 4671 1 4 no GB AAC02632 . "cherry-allergen PRUA1 [Prunus avium]" . . . . . 100.00 160 100.00 100.00 7.82e-108 . . . . 4671 1 5 no GB ABB78006 . "major allergen Pru p 1 [Prunus persica]" . . . . . 100.00 160 98.11 99.37 1.24e-105 . . . . 4671 1 6 no GB ABW99628 . "pathogenesis related protein PR10 [Prunus persica]" . . . . . 100.00 160 98.11 99.37 1.24e-105 . . . . 4671 1 7 no GB ABW99631 . "pathogenesis related protein PR10 [Prunus domestica]" . . . . . 100.00 160 97.48 98.74 7.15e-105 . . . . 4671 1 8 no GB ABW99632 . "pathogenesis related protein PR10 [Prunus domestica]" . . . . . 100.00 160 97.48 98.74 7.15e-105 . . . . 4671 1 9 no REF XP_007223636 . "hypothetical protein PRUPE_ppa012651mg [Prunus persica]" . . . . . 100.00 160 98.11 99.37 1.24e-105 . . . . 4671 1 10 no REF XP_008223266 . "PREDICTED: major allergen Pru av 1 [Prunus mume]" . . . . . 100.00 160 97.48 98.74 7.15e-105 . . . . 4671 1 11 no SP O24248 . "RecName: Full=Major allergen Pru av 1; AltName: Full=Allergen Pru a 1; AltName: Allergen=Pru av 1" . . . . . 100.00 160 100.00 100.00 7.82e-108 . . . . 4671 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Pru a 1' common 4671 1 'Pru a 1' abbreviation 4671 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 . GLY . 4671 1 2 . VAL . 4671 1 3 . PHE . 4671 1 4 . THR . 4671 1 5 . TYR . 4671 1 6 . GLU . 4671 1 7 . SER . 4671 1 8 . GLU . 4671 1 9 . PHE . 4671 1 10 . THR . 4671 1 11 . SER . 4671 1 12 . GLU . 4671 1 13 . ILE . 4671 1 14 . PRO . 4671 1 15 . PRO . 4671 1 16 . PRO . 4671 1 17 . ARG . 4671 1 18 . LEU . 4671 1 19 . PHE . 4671 1 20 . LYS . 4671 1 21 . ALA . 4671 1 22 . PHE . 4671 1 23 . VAL . 4671 1 24 . LEU . 4671 1 25 . ASP . 4671 1 26 . ALA . 4671 1 27 . ASP . 4671 1 28 . ASN . 4671 1 29 . LEU . 4671 1 30 . VAL . 4671 1 31 . PRO . 4671 1 32 . LYS . 4671 1 33 . ILE . 4671 1 34 . ALA . 4671 1 35 . PRO . 4671 1 36 . GLN . 4671 1 37 . ALA . 4671 1 38 . ILE . 4671 1 39 . LYS . 4671 1 40 . HIS . 4671 1 41 . SER . 4671 1 42 . GLU . 4671 1 43 . ILE . 4671 1 44 . LEU . 4671 1 45 . GLU . 4671 1 46 . GLY . 4671 1 47 . ASP . 4671 1 48 . GLY . 4671 1 49 . GLY . 4671 1 50 . PRO . 4671 1 51 . GLY . 4671 1 52 . THR . 4671 1 53 . ILE . 4671 1 54 . LYS . 4671 1 55 . LYS . 4671 1 56 . ILE . 4671 1 57 . THR . 4671 1 58 . PHE . 4671 1 59 . GLY . 4671 1 60 . GLU . 4671 1 61 . GLY . 4671 1 62 . SER . 4671 1 63 . GLN . 4671 1 64 . TYR . 4671 1 65 . GLY . 4671 1 66 . TYR . 4671 1 67 . VAL . 4671 1 68 . LYS . 4671 1 69 . HIS . 4671 1 70 . LYS . 4671 1 71 . ILE . 4671 1 72 . ASP . 4671 1 73 . SER . 4671 1 74 . ILE . 4671 1 75 . ASP . 4671 1 76 . LYS . 4671 1 77 . GLU . 4671 1 78 . ASN . 4671 1 79 . TYR . 4671 1 80 . SER . 4671 1 81 . TYR . 4671 1 82 . SER . 4671 1 83 . TYR . 4671 1 84 . THR . 4671 1 85 . LEU . 4671 1 86 . ILE . 4671 1 87 . GLU . 4671 1 88 . GLY . 4671 1 89 . ASP . 4671 1 90 . ALA . 4671 1 91 . LEU . 4671 1 92 . GLY . 4671 1 93 . ASP . 4671 1 94 . THR . 4671 1 95 . LEU . 4671 1 96 . GLU . 4671 1 97 . LYS . 4671 1 98 . ILE . 4671 1 99 . SER . 4671 1 100 . TYR . 4671 1 101 . GLU . 4671 1 102 . THR . 4671 1 103 . LYS . 4671 1 104 . LEU . 4671 1 105 . VAL . 4671 1 106 . ALA . 4671 1 107 . SER . 4671 1 108 . PRO . 4671 1 109 . SER . 4671 1 110 . GLY . 4671 1 111 . GLY . 4671 1 112 . SER . 4671 1 113 . ILE . 4671 1 114 . ILE . 4671 1 115 . LYS . 4671 1 116 . SER . 4671 1 117 . THR . 4671 1 118 . SER . 4671 1 119 . HIS . 4671 1 120 . TYR . 4671 1 121 . HIS . 4671 1 122 . THR . 4671 1 123 . LYS . 4671 1 124 . GLY . 4671 1 125 . ASN . 4671 1 126 . VAL . 4671 1 127 . GLU . 4671 1 128 . ILE . 4671 1 129 . LYS . 4671 1 130 . GLU . 4671 1 131 . GLU . 4671 1 132 . HIS . 4671 1 133 . VAL . 4671 1 134 . LYS . 4671 1 135 . ALA . 4671 1 136 . GLY . 4671 1 137 . LYS . 4671 1 138 . GLU . 4671 1 139 . LYS . 4671 1 140 . ALA . 4671 1 141 . SER . 4671 1 142 . ASN . 4671 1 143 . LEU . 4671 1 144 . PHE . 4671 1 145 . LYS . 4671 1 146 . LEU . 4671 1 147 . ILE . 4671 1 148 . GLU . 4671 1 149 . THR . 4671 1 150 . TYR . 4671 1 151 . LEU . 4671 1 152 . LYS . 4671 1 153 . GLY . 4671 1 154 . HIS . 4671 1 155 . PRO . 4671 1 156 . ASP . 4671 1 157 . ALA . 4671 1 158 . TYR . 4671 1 159 . ASN . 4671 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 . GLY 1 1 4671 1 . VAL 2 2 4671 1 . PHE 3 3 4671 1 . THR 4 4 4671 1 . TYR 5 5 4671 1 . GLU 6 6 4671 1 . SER 7 7 4671 1 . GLU 8 8 4671 1 . PHE 9 9 4671 1 . THR 10 10 4671 1 . SER 11 11 4671 1 . GLU 12 12 4671 1 . ILE 13 13 4671 1 . PRO 14 14 4671 1 . PRO 15 15 4671 1 . PRO 16 16 4671 1 . ARG 17 17 4671 1 . LEU 18 18 4671 1 . PHE 19 19 4671 1 . LYS 20 20 4671 1 . ALA 21 21 4671 1 . PHE 22 22 4671 1 . VAL 23 23 4671 1 . LEU 24 24 4671 1 . ASP 25 25 4671 1 . ALA 26 26 4671 1 . ASP 27 27 4671 1 . ASN 28 28 4671 1 . LEU 29 29 4671 1 . VAL 30 30 4671 1 . PRO 31 31 4671 1 . LYS 32 32 4671 1 . ILE 33 33 4671 1 . ALA 34 34 4671 1 . PRO 35 35 4671 1 . GLN 36 36 4671 1 . ALA 37 37 4671 1 . ILE 38 38 4671 1 . LYS 39 39 4671 1 . HIS 40 40 4671 1 . SER 41 41 4671 1 . GLU 42 42 4671 1 . ILE 43 43 4671 1 . LEU 44 44 4671 1 . GLU 45 45 4671 1 . GLY 46 46 4671 1 . ASP 47 47 4671 1 . GLY 48 48 4671 1 . GLY 49 49 4671 1 . PRO 50 50 4671 1 . GLY 51 51 4671 1 . THR 52 52 4671 1 . ILE 53 53 4671 1 . LYS 54 54 4671 1 . LYS 55 55 4671 1 . ILE 56 56 4671 1 . THR 57 57 4671 1 . PHE 58 58 4671 1 . GLY 59 59 4671 1 . GLU 60 60 4671 1 . GLY 61 61 4671 1 . SER 62 62 4671 1 . GLN 63 63 4671 1 . TYR 64 64 4671 1 . GLY 65 65 4671 1 . TYR 66 66 4671 1 . VAL 67 67 4671 1 . LYS 68 68 4671 1 . HIS 69 69 4671 1 . LYS 70 70 4671 1 . ILE 71 71 4671 1 . ASP 72 72 4671 1 . SER 73 73 4671 1 . ILE 74 74 4671 1 . ASP 75 75 4671 1 . LYS 76 76 4671 1 . GLU 77 77 4671 1 . ASN 78 78 4671 1 . TYR 79 79 4671 1 . SER 80 80 4671 1 . TYR 81 81 4671 1 . SER 82 82 4671 1 . TYR 83 83 4671 1 . THR 84 84 4671 1 . LEU 85 85 4671 1 . ILE 86 86 4671 1 . GLU 87 87 4671 1 . GLY 88 88 4671 1 . ASP 89 89 4671 1 . ALA 90 90 4671 1 . LEU 91 91 4671 1 . GLY 92 92 4671 1 . ASP 93 93 4671 1 . THR 94 94 4671 1 . LEU 95 95 4671 1 . GLU 96 96 4671 1 . LYS 97 97 4671 1 . ILE 98 98 4671 1 . SER 99 99 4671 1 . TYR 100 100 4671 1 . GLU 101 101 4671 1 . THR 102 102 4671 1 . LYS 103 103 4671 1 . LEU 104 104 4671 1 . VAL 105 105 4671 1 . ALA 106 106 4671 1 . SER 107 107 4671 1 . PRO 108 108 4671 1 . SER 109 109 4671 1 . GLY 110 110 4671 1 . GLY 111 111 4671 1 . SER 112 112 4671 1 . ILE 113 113 4671 1 . ILE 114 114 4671 1 . LYS 115 115 4671 1 . SER 116 116 4671 1 . THR 117 117 4671 1 . SER 118 118 4671 1 . HIS 119 119 4671 1 . TYR 120 120 4671 1 . HIS 121 121 4671 1 . THR 122 122 4671 1 . LYS 123 123 4671 1 . GLY 124 124 4671 1 . ASN 125 125 4671 1 . VAL 126 126 4671 1 . GLU 127 127 4671 1 . ILE 128 128 4671 1 . LYS 129 129 4671 1 . GLU 130 130 4671 1 . GLU 131 131 4671 1 . HIS 132 132 4671 1 . VAL 133 133 4671 1 . LYS 134 134 4671 1 . ALA 135 135 4671 1 . GLY 136 136 4671 1 . LYS 137 137 4671 1 . GLU 138 138 4671 1 . LYS 139 139 4671 1 . ALA 140 140 4671 1 . SER 141 141 4671 1 . ASN 142 142 4671 1 . LEU 143 143 4671 1 . PHE 144 144 4671 1 . LYS 145 145 4671 1 . LEU 146 146 4671 1 . ILE 147 147 4671 1 . GLU 148 148 4671 1 . THR 149 149 4671 1 . TYR 150 150 4671 1 . LEU 151 151 4671 1 . LYS 152 152 4671 1 . GLY 153 153 4671 1 . HIS 154 154 4671 1 . PRO 155 155 4671 1 . ASP 156 156 4671 1 . ALA 157 157 4671 1 . TYR 158 158 4671 1 . ASN 159 159 4671 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 4671 _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 $Pru_a_1 . 42229 organism . 'Prunus avium' 'sweet cherry' . . Eukaryota . Prunus avium . . . . . . . . . . . . . . . . . . . . . 4671 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 4671 _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 $Pru_a_1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21/DE3 . . . . . . . . . . . . plasmid . . pET16b . . . . . . 4671 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4671 _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 'Pru a 1' '[U-90% 15N]' . . 1 $Pru_a_1 . . 1.2 . . mM . . . . 4671 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4671 _Sample.ID 2 _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 'Pru a 1' '[U-95% 13C; U-90% 15N]' . . 1 $Pru_a_1 . . 0.8 . . mM . . . . 4671 2 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 4671 _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 7.0 0.2 pH 4671 1 temperature 298 . K 4671 1 pressure 1 . atm 4671 1 stop_ save_ save_cond_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_2 _Sample_condition_list.Entry_ID 4671 _Sample_condition_list.ID 2 _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 7.0 0.2 pH 4671 2 temperature 308 . K 4671 2 pressure 1 . atm 4671 2 stop_ save_ ############################ # Computer software used # ############################ save_NDEE _Software.Sf_category software _Software.Sf_framecode NDEE _Software.Entry_ID 4671 _Software.ID 1 _Software.Name NDEE _Software.Version . _Software.Details 'SpinUp Inc., Dortmund, Germany' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 4671 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4671 _Software.ID 2 _Software.Name NMRView _Software.Version 4.1.0 _Software.Details 'Bruce A. Johnson, Merck and Co., Whitehouse Station, NJ, USA"' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral analysis' 4671 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 4671 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4671 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 4671 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 4671 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D TOCSY' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 3 '1H,15N HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 4 HNHA . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 5 '3D 1H,15N-TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 6 '3D 1H,15N-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 7 '3D 1H,15N/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 8 '1H,13C CTHSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 10 HNCA . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 11 HNCACB . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 12 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 13 H(C)CH-COSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 14 (H)CCH-COSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 15 HC(C)H-TOCSY . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 16 '3D 1H,13C-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 17 '3D 1H,13C/1H,15N-HMQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4671 1 stop_ 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 4671 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4671 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4671 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4671 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4671 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $cond_2 _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 . 4671 1 . . 2 $sample_2 . 4671 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 4.03 0.02 . 2 . . . . . . . . 4671 1 2 . 1 1 1 1 GLY HA3 H 1 3.80 0.02 . 2 . . . . . . . . 4671 1 3 . 1 1 1 1 GLY C C 13 172.85 0.20 . 1 . . . . . . . . 4671 1 4 . 1 1 1 1 GLY CA C 13 45.45 0.20 . 1 . . . . . . . . 4671 1 5 . 1 1 2 2 VAL H H 1 7.40 0.02 . 1 . . . . . . . . 4671 1 6 . 1 1 2 2 VAL HA H 1 4.80 0.02 . 1 . . . . . . . . 4671 1 7 . 1 1 2 2 VAL HB H 1 1.59 0.02 . 1 . . . . . . . . 4671 1 8 . 1 1 2 2 VAL HG11 H 1 0.38 0.02 . 2 . . . . . . . . 4671 1 9 . 1 1 2 2 VAL HG12 H 1 0.38 0.02 . 2 . . . . . . . . 4671 1 10 . 1 1 2 2 VAL HG13 H 1 0.38 0.02 . 2 . . . . . . . . 4671 1 11 . 1 1 2 2 VAL HG21 H 1 0.35 0.02 . 2 . . . . . . . . 4671 1 12 . 1 1 2 2 VAL HG22 H 1 0.35 0.02 . 2 . . . . . . . . 4671 1 13 . 1 1 2 2 VAL HG23 H 1 0.35 0.02 . 2 . . . . . . . . 4671 1 14 . 1 1 2 2 VAL C C 13 175.05 0.20 . 1 . . . . . . . . 4671 1 15 . 1 1 2 2 VAL CA C 13 60.67 0.20 . 1 . . . . . . . . 4671 1 16 . 1 1 2 2 VAL CB C 13 33.48 0.20 . 1 . . . . . . . . 4671 1 17 . 1 1 2 2 VAL CG1 C 13 21.03 0.20 . 2 . . . . . . . . 4671 1 18 . 1 1 2 2 VAL CG2 C 13 20.50 0.20 . 2 . . . . . . . . 4671 1 19 . 1 1 2 2 VAL N N 15 120.48 0.20 . 1 . . . . . . . . 4671 1 20 . 1 1 3 3 PHE H H 1 8.77 0.02 . 1 . . . . . . . . 4671 1 21 . 1 1 3 3 PHE HA H 1 4.71 0.02 . 1 . . . . . . . . 4671 1 22 . 1 1 3 3 PHE HB2 H 1 3.09 0.02 . 2 . . . . . . . . 4671 1 23 . 1 1 3 3 PHE HB3 H 1 2.88 0.02 . 2 . . . . . . . . 4671 1 24 . 1 1 3 3 PHE HD1 H 1 7.22 0.02 . 1 . . . . . . . . 4671 1 25 . 1 1 3 3 PHE HD2 H 1 7.22 0.02 . 1 . . . . . . . . 4671 1 26 . 1 1 3 3 PHE HE1 H 1 7.34 0.02 . 1 . . . . . . . . 4671 1 27 . 1 1 3 3 PHE HE2 H 1 7.34 0.02 . 1 . . . . . . . . 4671 1 28 . 1 1 3 3 PHE C C 13 174.33 0.20 . 1 . . . . . . . . 4671 1 29 . 1 1 3 3 PHE CA C 13 57.07 0.20 . 1 . . . . . . . . 4671 1 30 . 1 1 3 3 PHE CB C 13 41.92 0.20 . 1 . . . . . . . . 4671 1 31 . 1 1 3 3 PHE N N 15 128.00 0.20 . 1 . . . . . . . . 4671 1 32 . 1 1 4 4 THR H H 1 8.37 0.02 . 1 . . . . . . . . 4671 1 33 . 1 1 4 4 THR HA H 1 5.30 0.02 . 1 . . . . . . . . 4671 1 34 . 1 1 4 4 THR HB H 1 3.62 0.02 . 1 . . . . . . . . 4671 1 35 . 1 1 4 4 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 36 . 1 1 4 4 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 37 . 1 1 4 4 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 38 . 1 1 4 4 THR C C 13 173.21 0.20 . 1 . . . . . . . . 4671 1 39 . 1 1 4 4 THR CA C 13 62.46 0.20 . 1 . . . . . . . . 4671 1 40 . 1 1 4 4 THR CB C 13 70.92 0.20 . 1 . . . . . . . . 4671 1 41 . 1 1 4 4 THR CG2 C 13 22.20 0.20 . 1 . . . . . . . . 4671 1 42 . 1 1 4 4 THR N N 15 123.52 0.20 . 1 . . . . . . . . 4671 1 43 . 1 1 5 5 TYR H H 1 9.01 0.02 . 1 . . . . . . . . 4671 1 44 . 1 1 5 5 TYR HA H 1 4.71 0.02 . 1 . . . . . . . . 4671 1 45 . 1 1 5 5 TYR HB2 H 1 3.06 0.02 . 2 . . . . . . . . 4671 1 46 . 1 1 5 5 TYR HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4671 1 47 . 1 1 5 5 TYR HD1 H 1 7.07 0.02 . 1 . . . . . . . . 4671 1 48 . 1 1 5 5 TYR HD2 H 1 7.07 0.02 . 1 . . . . . . . . 4671 1 49 . 1 1 5 5 TYR HE1 H 1 6.52 0.02 . 1 . . . . . . . . 4671 1 50 . 1 1 5 5 TYR HE2 H 1 6.52 0.02 . 1 . . . . . . . . 4671 1 51 . 1 1 5 5 TYR C C 13 174.46 0.20 . 1 . . . . . . . . 4671 1 52 . 1 1 5 5 TYR CA C 13 57.15 0.20 . 1 . . . . . . . . 4671 1 53 . 1 1 5 5 TYR CB C 13 41.85 0.20 . 1 . . . . . . . . 4671 1 54 . 1 1 5 5 TYR N N 15 125.69 0.20 . 1 . . . . . . . . 4671 1 55 . 1 1 6 6 GLU H H 1 8.74 0.02 . 1 . . . . . . . . 4671 1 56 . 1 1 6 6 GLU HA H 1 5.23 0.02 . 1 . . . . . . . . 4671 1 57 . 1 1 6 6 GLU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4671 1 58 . 1 1 6 6 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4671 1 59 . 1 1 6 6 GLU HG2 H 1 2.12 0.02 . 1 . . . . . . . . 4671 1 60 . 1 1 6 6 GLU HG3 H 1 2.12 0.02 . 1 . . . . . . . . 4671 1 61 . 1 1 6 6 GLU C C 13 175.63 0.20 . 1 . . . . . . . . 4671 1 62 . 1 1 6 6 GLU CA C 13 55.20 0.20 . 1 . . . . . . . . 4671 1 63 . 1 1 6 6 GLU CB C 13 32.84 0.20 . 1 . . . . . . . . 4671 1 64 . 1 1 6 6 GLU CG C 13 36.42 0.20 . 1 . . . . . . . . 4671 1 65 . 1 1 6 6 GLU N N 15 124.55 0.20 . 1 . . . . . . . . 4671 1 66 . 1 1 7 7 SER H H 1 8.91 0.02 . 1 . . . . . . . . 4671 1 67 . 1 1 7 7 SER HA H 1 4.70 0.02 . 1 . . . . . . . . 4671 1 68 . 1 1 7 7 SER HB2 H 1 3.65 0.02 . 1 . . . . . . . . 4671 1 69 . 1 1 7 7 SER HB3 H 1 3.65 0.02 . 1 . . . . . . . . 4671 1 70 . 1 1 7 7 SER C C 13 176.05 0.20 . 1 . . . . . . . . 4671 1 71 . 1 1 7 7 SER CA C 13 57.62 0.20 . 1 . . . . . . . . 4671 1 72 . 1 1 7 7 SER CB C 13 66.55 0.20 . 1 . . . . . . . . 4671 1 73 . 1 1 7 7 SER N N 15 117.35 0.20 . 1 . . . . . . . . 4671 1 74 . 1 1 8 8 GLU H H 1 8.22 0.02 . 1 . . . . . . . . 4671 1 75 . 1 1 8 8 GLU HA H 1 5.41 0.02 . 1 . . . . . . . . 4671 1 76 . 1 1 8 8 GLU HB2 H 1 1.78 0.02 . 1 . . . . . . . . 4671 1 77 . 1 1 8 8 GLU HB3 H 1 1.78 0.02 . 1 . . . . . . . . 4671 1 78 . 1 1 8 8 GLU HG2 H 1 2.02 0.02 . 2 . . . . . . . . 4671 1 79 . 1 1 8 8 GLU HG3 H 1 1.94 0.02 . 2 . . . . . . . . 4671 1 80 . 1 1 8 8 GLU C C 13 174.67 0.20 . 1 . . . . . . . . 4671 1 81 . 1 1 8 8 GLU CA C 13 54.74 0.20 . 1 . . . . . . . . 4671 1 82 . 1 1 8 8 GLU CB C 13 33.54 0.20 . 1 . . . . . . . . 4671 1 83 . 1 1 8 8 GLU CG C 13 37.07 0.20 . 1 . . . . . . . . 4671 1 84 . 1 1 8 8 GLU N N 15 122.26 0.20 . 1 . . . . . . . . 4671 1 85 . 1 1 9 9 PHE H H 1 8.67 0.02 . 1 . . . . . . . . 4671 1 86 . 1 1 9 9 PHE HA H 1 5.03 0.02 . 1 . . . . . . . . 4671 1 87 . 1 1 9 9 PHE HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4671 1 88 . 1 1 9 9 PHE HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4671 1 89 . 1 1 9 9 PHE HD1 H 1 6.98 0.02 . 1 . . . . . . . . 4671 1 90 . 1 1 9 9 PHE HD2 H 1 6.98 0.02 . 1 . . . . . . . . 4671 1 91 . 1 1 9 9 PHE HE1 H 1 7.07 0.02 . 1 . . . . . . . . 4671 1 92 . 1 1 9 9 PHE HE2 H 1 7.07 0.02 . 1 . . . . . . . . 4671 1 93 . 1 1 9 9 PHE C C 13 173.94 0.20 . 1 . . . . . . . . 4671 1 94 . 1 1 9 9 PHE CA C 13 55.16 0.20 . 1 . . . . . . . . 4671 1 95 . 1 1 9 9 PHE CB C 13 41.18 0.20 . 1 . . . . . . . . 4671 1 96 . 1 1 9 9 PHE N N 15 122.18 0.20 . 1 . . . . . . . . 4671 1 97 . 1 1 10 10 THR H H 1 8.43 0.02 . 1 . . . . . . . . 4671 1 98 . 1 1 10 10 THR HA H 1 5.03 0.02 . 1 . . . . . . . . 4671 1 99 . 1 1 10 10 THR HB H 1 4.15 0.02 . 1 . . . . . . . . 4671 1 100 . 1 1 10 10 THR HG21 H 1 1.14 0.02 . 1 . . . . . . . . 4671 1 101 . 1 1 10 10 THR HG22 H 1 1.14 0.02 . 1 . . . . . . . . 4671 1 102 . 1 1 10 10 THR HG23 H 1 1.14 0.02 . 1 . . . . . . . . 4671 1 103 . 1 1 10 10 THR C C 13 173.37 0.20 . 1 . . . . . . . . 4671 1 104 . 1 1 10 10 THR CA C 13 60.68 0.20 . 1 . . . . . . . . 4671 1 105 . 1 1 10 10 THR CB C 13 71.32 0.20 . 1 . . . . . . . . 4671 1 106 . 1 1 10 10 THR CG2 C 13 21.66 0.20 . 1 . . . . . . . . 4671 1 107 . 1 1 10 10 THR N N 15 112.36 0.20 . 1 . . . . . . . . 4671 1 108 . 1 1 11 11 SER H H 1 8.61 0.02 . 1 . . . . . . . . 4671 1 109 . 1 1 11 11 SER HA H 1 4.90 0.02 . 1 . . . . . . . . 4671 1 110 . 1 1 11 11 SER HB2 H 1 3.72 0.02 . 2 . . . . . . . . 4671 1 111 . 1 1 11 11 SER HB3 H 1 3.31 0.02 . 2 . . . . . . . . 4671 1 112 . 1 1 11 11 SER HG H 1 6.75 0.02 . 1 . . . . . . . . 4671 1 113 . 1 1 11 11 SER C C 13 175.44 0.20 . 1 . . . . . . . . 4671 1 114 . 1 1 11 11 SER CA C 13 56.06 0.20 . 1 . . . . . . . . 4671 1 115 . 1 1 11 11 SER CB C 13 66.17 0.20 . 1 . . . . . . . . 4671 1 116 . 1 1 11 11 SER N N 15 114.28 0.20 . 1 . . . . . . . . 4671 1 117 . 1 1 12 12 GLU H H 1 9.30 0.02 . 1 . . . . . . . . 4671 1 118 . 1 1 12 12 GLU HA H 1 4.29 0.02 . 1 . . . . . . . . 4671 1 119 . 1 1 12 12 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4671 1 120 . 1 1 12 12 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4671 1 121 . 1 1 12 12 GLU HG2 H 1 2.26 0.02 . 1 . . . . . . . . 4671 1 122 . 1 1 12 12 GLU HG3 H 1 2.26 0.02 . 1 . . . . . . . . 4671 1 123 . 1 1 12 12 GLU C C 13 175.93 0.20 . 1 . . . . . . . . 4671 1 124 . 1 1 12 12 GLU CA C 13 57.40 0.20 . 1 . . . . . . . . 4671 1 125 . 1 1 12 12 GLU CB C 13 30.51 0.20 . 1 . . . . . . . . 4671 1 126 . 1 1 12 12 GLU CG C 13 36.78 0.20 . 1 . . . . . . . . 4671 1 127 . 1 1 12 12 GLU N N 15 127.45 0.20 . 1 . . . . . . . . 4671 1 128 . 1 1 13 13 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 4671 1 129 . 1 1 13 13 ILE HA H 1 4.42 0.02 . 1 . . . . . . . . 4671 1 130 . 1 1 13 13 ILE HB H 1 2.15 0.02 . 1 . . . . . . . . 4671 1 131 . 1 1 13 13 ILE HG12 H 1 1.65 0.02 . 2 . . . . . . . . 4671 1 132 . 1 1 13 13 ILE HG13 H 1 1.27 0.02 . 2 . . . . . . . . 4671 1 133 . 1 1 13 13 ILE HG21 H 1 1.09 0.02 . 1 . . . . . . . . 4671 1 134 . 1 1 13 13 ILE HG22 H 1 1.09 0.02 . 1 . . . . . . . . 4671 1 135 . 1 1 13 13 ILE HG23 H 1 1.09 0.02 . 1 . . . . . . . . 4671 1 136 . 1 1 13 13 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 4671 1 137 . 1 1 13 13 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 4671 1 138 . 1 1 13 13 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 4671 1 139 . 1 1 13 13 ILE CA C 13 56.48 0.20 . 1 . . . . . . . . 4671 1 140 . 1 1 13 13 ILE CB C 13 36.68 0.20 . 1 . . . . . . . . 4671 1 141 . 1 1 13 13 ILE CG1 C 13 26.71 0.20 . 1 . . . . . . . . 4671 1 142 . 1 1 13 13 ILE CG2 C 13 17.39 0.20 . 1 . . . . . . . . 4671 1 143 . 1 1 13 13 ILE CD1 C 13 9.38 0.20 . 1 . . . . . . . . 4671 1 144 . 1 1 13 13 ILE N N 15 122.31 0.20 . 1 . . . . . . . . 4671 1 145 . 1 1 16 16 PRO HA H 1 3.96 0.02 . 1 . . . . . . . . 4671 1 146 . 1 1 16 16 PRO HB2 H 1 2.42 0.02 . 2 . . . . . . . . 4671 1 147 . 1 1 16 16 PRO HB3 H 1 1.91 0.02 . 2 . . . . . . . . 4671 1 148 . 1 1 16 16 PRO HG2 H 1 2.05 0.02 . 1 . . . . . . . . 4671 1 149 . 1 1 16 16 PRO HG3 H 1 2.05 0.02 . 1 . . . . . . . . 4671 1 150 . 1 1 16 16 PRO HD2 H 1 3.41 0.02 . 2 . . . . . . . . 4671 1 151 . 1 1 16 16 PRO HD3 H 1 3.29 0.02 . 2 . . . . . . . . 4671 1 152 . 1 1 16 16 PRO C C 13 179.32 0.20 . 1 . . . . . . . . 4671 1 153 . 1 1 16 16 PRO CA C 13 66.57 0.20 . 1 . . . . . . . . 4671 1 154 . 1 1 16 16 PRO CB C 13 30.44 0.20 . 1 . . . . . . . . 4671 1 155 . 1 1 16 16 PRO CG C 13 28.22 0.20 . 1 . . . . . . . . 4671 1 156 . 1 1 16 16 PRO CD C 13 49.44 0.20 . 1 . . . . . . . . 4671 1 157 . 1 1 17 17 ARG H H 1 6.59 0.02 . 1 . . . . . . . . 4671 1 158 . 1 1 17 17 ARG HA H 1 4.22 0.02 . 1 . . . . . . . . 4671 1 159 . 1 1 17 17 ARG HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4671 1 160 . 1 1 17 17 ARG HB3 H 1 1.60 0.02 . 2 . . . . . . . . 4671 1 161 . 1 1 17 17 ARG HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 162 . 1 1 17 17 ARG HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 163 . 1 1 17 17 ARG HD2 H 1 3.27 0.02 . 1 . . . . . . . . 4671 1 164 . 1 1 17 17 ARG HD3 H 1 3.27 0.02 . 1 . . . . . . . . 4671 1 165 . 1 1 17 17 ARG HE H 1 6.75 0.02 . 1 . . . . . . . . 4671 1 166 . 1 1 17 17 ARG C C 13 177.21 0.20 . 1 . . . . . . . . 4671 1 167 . 1 1 17 17 ARG CA C 13 58.94 0.20 . 1 . . . . . . . . 4671 1 168 . 1 1 17 17 ARG CB C 13 30.88 0.20 . 1 . . . . . . . . 4671 1 169 . 1 1 17 17 ARG CG C 13 28.43 0.20 . 1 . . . . . . . . 4671 1 170 . 1 1 17 17 ARG CD C 13 44.37 0.20 . 1 . . . . . . . . 4671 1 171 . 1 1 17 17 ARG CZ C 13 159.56 0.20 . 1 . . . . . . . . 4671 1 172 . 1 1 17 17 ARG N N 15 115.54 0.20 . 1 . . . . . . . . 4671 1 173 . 1 1 17 17 ARG NE N 15 85.48 0.20 . 1 . . . . . . . . 4671 1 174 . 1 1 18 18 LEU H H 1 7.60 0.02 . 1 . . . . . . . . 4671 1 175 . 1 1 18 18 LEU HA H 1 3.82 0.02 . 1 . . . . . . . . 4671 1 176 . 1 1 18 18 LEU HB2 H 1 1.53 0.02 . 2 . . . . . . . . 4671 1 177 . 1 1 18 18 LEU HB3 H 1 1.25 0.02 . 2 . . . . . . . . 4671 1 178 . 1 1 18 18 LEU HG H 1 1.57 0.02 . 1 . . . . . . . . 4671 1 179 . 1 1 18 18 LEU HD11 H 1 0.83 0.02 . 2 . . . . . . . . 4671 1 180 . 1 1 18 18 LEU HD12 H 1 0.83 0.02 . 2 . . . . . . . . 4671 1 181 . 1 1 18 18 LEU HD13 H 1 0.83 0.02 . 2 . . . . . . . . 4671 1 182 . 1 1 18 18 LEU HD21 H 1 0.78 0.02 . 2 . . . . . . . . 4671 1 183 . 1 1 18 18 LEU HD22 H 1 0.78 0.02 . 2 . . . . . . . . 4671 1 184 . 1 1 18 18 LEU HD23 H 1 0.78 0.02 . 2 . . . . . . . . 4671 1 185 . 1 1 18 18 LEU C C 13 178.33 0.20 . 1 . . . . . . . . 4671 1 186 . 1 1 18 18 LEU CA C 13 57.51 0.20 . 1 . . . . . . . . 4671 1 187 . 1 1 18 18 LEU CB C 13 42.03 0.20 . 1 . . . . . . . . 4671 1 188 . 1 1 18 18 LEU CG C 13 27.40 0.20 . 1 . . . . . . . . 4671 1 189 . 1 1 18 18 LEU CD1 C 13 23.50 0.20 . 2 . . . . . . . . 4671 1 190 . 1 1 18 18 LEU CD2 C 13 24.99 0.20 . 2 . . . . . . . . 4671 1 191 . 1 1 18 18 LEU N N 15 118.12 0.20 . 1 . . . . . . . . 4671 1 192 . 1 1 19 19 PHE H H 1 9.19 0.02 . 1 . . . . . . . . 4671 1 193 . 1 1 19 19 PHE HA H 1 3.84 0.02 . 1 . . . . . . . . 4671 1 194 . 1 1 19 19 PHE HB2 H 1 3.17 0.02 . 2 . . . . . . . . 4671 1 195 . 1 1 19 19 PHE HB3 H 1 3.01 0.02 . 2 . . . . . . . . 4671 1 196 . 1 1 19 19 PHE HD1 H 1 7.18 0.02 . 1 . . . . . . . . 4671 1 197 . 1 1 19 19 PHE HD2 H 1 7.18 0.02 . 1 . . . . . . . . 4671 1 198 . 1 1 19 19 PHE HE1 H 1 7.13 0.02 . 1 . . . . . . . . 4671 1 199 . 1 1 19 19 PHE HE2 H 1 7.13 0.02 . 1 . . . . . . . . 4671 1 200 . 1 1 19 19 PHE C C 13 177.80 0.20 . 1 . . . . . . . . 4671 1 201 . 1 1 19 19 PHE CA C 13 62.43 0.20 . 1 . . . . . . . . 4671 1 202 . 1 1 19 19 PHE CB C 13 40.22 0.20 . 1 . . . . . . . . 4671 1 203 . 1 1 19 19 PHE N N 15 118.70 0.20 . 1 . . . . . . . . 4671 1 204 . 1 1 20 20 LYS H H 1 7.56 0.02 . 1 . . . . . . . . 4671 1 205 . 1 1 20 20 LYS HA H 1 3.69 0.02 . 1 . . . . . . . . 4671 1 206 . 1 1 20 20 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4671 1 207 . 1 1 20 20 LYS HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4671 1 208 . 1 1 20 20 LYS HG2 H 1 1.55 0.02 . 1 . . . . . . . . 4671 1 209 . 1 1 20 20 LYS HG3 H 1 1.55 0.02 . 1 . . . . . . . . 4671 1 210 . 1 1 20 20 LYS HD2 H 1 1.82 0.02 . 1 . . . . . . . . 4671 1 211 . 1 1 20 20 LYS HD3 H 1 1.82 0.02 . 1 . . . . . . . . 4671 1 212 . 1 1 20 20 LYS HE2 H 1 3.01 0.02 . 1 . . . . . . . . 4671 1 213 . 1 1 20 20 LYS HE3 H 1 3.01 0.02 . 1 . . . . . . . . 4671 1 214 . 1 1 20 20 LYS C C 13 176.30 0.20 . 1 . . . . . . . . 4671 1 215 . 1 1 20 20 LYS CA C 13 60.35 0.20 . 1 . . . . . . . . 4671 1 216 . 1 1 20 20 LYS CB C 13 33.26 0.20 . 1 . . . . . . . . 4671 1 217 . 1 1 20 20 LYS CG C 13 26.40 0.20 . 1 . . . . . . . . 4671 1 218 . 1 1 20 20 LYS CD C 13 29.45 0.20 . 1 . . . . . . . . 4671 1 219 . 1 1 20 20 LYS N N 15 117.89 0.20 . 1 . . . . . . . . 4671 1 220 . 1 1 21 21 ALA H H 1 7.04 0.02 . 1 . . . . . . . . 4671 1 221 . 1 1 21 21 ALA HA H 1 3.18 0.02 . 1 . . . . . . . . 4671 1 222 . 1 1 21 21 ALA HB1 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 223 . 1 1 21 21 ALA HB2 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 224 . 1 1 21 21 ALA HB3 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 225 . 1 1 21 21 ALA C C 13 175.26 0.20 . 1 . . . . . . . . 4671 1 226 . 1 1 21 21 ALA CA C 13 54.39 0.20 . 1 . . . . . . . . 4671 1 227 . 1 1 21 21 ALA CB C 13 20.59 0.20 . 1 . . . . . . . . 4671 1 228 . 1 1 21 21 ALA N N 15 118.15 0.20 . 1 . . . . . . . . 4671 1 229 . 1 1 22 22 PHE H H 1 8.22 0.02 . 1 . . . . . . . . 4671 1 230 . 1 1 22 22 PHE HA H 1 4.15 0.02 . 1 . . . . . . . . 4671 1 231 . 1 1 22 22 PHE HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4671 1 232 . 1 1 22 22 PHE HB3 H 1 2.80 0.02 . 2 . . . . . . . . 4671 1 233 . 1 1 22 22 PHE HD1 H 1 6.91 0.02 . 1 . . . . . . . . 4671 1 234 . 1 1 22 22 PHE HD2 H 1 6.91 0.02 . 1 . . . . . . . . 4671 1 235 . 1 1 22 22 PHE HE1 H 1 7.14 0.02 . 1 . . . . . . . . 4671 1 236 . 1 1 22 22 PHE HE2 H 1 7.14 0.02 . 1 . . . . . . . . 4671 1 237 . 1 1 22 22 PHE C C 13 174.01 0.20 . 1 . . . . . . . . 4671 1 238 . 1 1 22 22 PHE CA C 13 58.19 0.20 . 1 . . . . . . . . 4671 1 239 . 1 1 22 22 PHE CB C 13 40.29 0.20 . 1 . . . . . . . . 4671 1 240 . 1 1 22 22 PHE N N 15 110.09 0.20 . 1 . . . . . . . . 4671 1 241 . 1 1 23 23 VAL H H 1 7.11 0.02 . 1 . . . . . . . . 4671 1 242 . 1 1 23 23 VAL HA H 1 3.13 0.02 . 1 . . . . . . . . 4671 1 243 . 1 1 23 23 VAL HB H 1 0.79 0.02 . 1 . . . . . . . . 4671 1 244 . 1 1 23 23 VAL HG11 H 1 0.08 0.02 . 2 . . . . . . . . 4671 1 245 . 1 1 23 23 VAL HG12 H 1 0.08 0.02 . 2 . . . . . . . . 4671 1 246 . 1 1 23 23 VAL HG13 H 1 0.08 0.02 . 2 . . . . . . . . 4671 1 247 . 1 1 23 23 VAL HG21 H 1 -0.30 0.02 . 2 . . . . . . . . 4671 1 248 . 1 1 23 23 VAL HG22 H 1 -0.30 0.02 . 2 . . . . . . . . 4671 1 249 . 1 1 23 23 VAL HG23 H 1 -0.30 0.02 . 2 . . . . . . . . 4671 1 250 . 1 1 23 23 VAL C C 13 177.64 0.20 . 1 . . . . . . . . 4671 1 251 . 1 1 23 23 VAL CA C 13 63.71 0.20 . 1 . . . . . . . . 4671 1 252 . 1 1 23 23 VAL CB C 13 30.82 0.20 . 1 . . . . . . . . 4671 1 253 . 1 1 23 23 VAL CG1 C 13 21.25 0.20 . 2 . . . . . . . . 4671 1 254 . 1 1 23 23 VAL CG2 C 13 20.16 0.20 . 2 . . . . . . . . 4671 1 255 . 1 1 23 23 VAL N N 15 114.12 0.20 . 1 . . . . . . . . 4671 1 256 . 1 1 24 24 LEU H H 1 7.04 0.02 . 1 . . . . . . . . 4671 1 257 . 1 1 24 24 LEU HA H 1 3.85 0.02 . 1 . . . . . . . . 4671 1 258 . 1 1 24 24 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4671 1 259 . 1 1 24 24 LEU HB3 H 1 1.46 0.02 . 2 . . . . . . . . 4671 1 260 . 1 1 24 24 LEU HG H 1 1.04 0.02 . 1 . . . . . . . . 4671 1 261 . 1 1 24 24 LEU HD11 H 1 1.20 0.02 . 2 . . . . . . . . 4671 1 262 . 1 1 24 24 LEU HD12 H 1 1.20 0.02 . 2 . . . . . . . . 4671 1 263 . 1 1 24 24 LEU HD13 H 1 1.20 0.02 . 2 . . . . . . . . 4671 1 264 . 1 1 24 24 LEU HD21 H 1 0.73 0.02 . 2 . . . . . . . . 4671 1 265 . 1 1 24 24 LEU HD22 H 1 0.73 0.02 . 2 . . . . . . . . 4671 1 266 . 1 1 24 24 LEU HD23 H 1 0.73 0.02 . 2 . . . . . . . . 4671 1 267 . 1 1 24 24 LEU C C 13 178.51 0.20 . 1 . . . . . . . . 4671 1 268 . 1 1 24 24 LEU CA C 13 57.28 0.20 . 1 . . . . . . . . 4671 1 269 . 1 1 24 24 LEU CB C 13 40.35 0.20 . 1 . . . . . . . . 4671 1 270 . 1 1 24 24 LEU CG C 13 25.39 0.20 . 1 . . . . . . . . 4671 1 271 . 1 1 24 24 LEU N N 15 115.24 0.20 . 1 . . . . . . . . 4671 1 272 . 1 1 25 25 ASP H H 1 7.65 0.02 . 1 . . . . . . . . 4671 1 273 . 1 1 25 25 ASP HA H 1 5.35 0.02 . 1 . . . . . . . . 4671 1 274 . 1 1 25 25 ASP HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4671 1 275 . 1 1 25 25 ASP HB3 H 1 2.44 0.02 . 2 . . . . . . . . 4671 1 276 . 1 1 25 25 ASP C C 13 177.47 0.20 . 1 . . . . . . . . 4671 1 277 . 1 1 25 25 ASP CA C 13 53.06 0.20 . 1 . . . . . . . . 4671 1 278 . 1 1 25 25 ASP CB C 13 43.53 0.20 . 1 . . . . . . . . 4671 1 279 . 1 1 25 25 ASP N N 15 117.01 0.20 . 1 . . . . . . . . 4671 1 280 . 1 1 26 26 ALA H H 1 6.38 0.02 . 1 . . . . . . . . 4671 1 281 . 1 1 26 26 ALA HA H 1 3.71 0.02 . 1 . . . . . . . . 4671 1 282 . 1 1 26 26 ALA HB1 H 1 1.11 0.02 . 1 . . . . . . . . 4671 1 283 . 1 1 26 26 ALA HB2 H 1 1.11 0.02 . 1 . . . . . . . . 4671 1 284 . 1 1 26 26 ALA HB3 H 1 1.11 0.02 . 1 . . . . . . . . 4671 1 285 . 1 1 26 26 ALA C C 13 178.70 0.20 . 1 . . . . . . . . 4671 1 286 . 1 1 26 26 ALA CA C 13 56.28 0.20 . 1 . . . . . . . . 4671 1 287 . 1 1 26 26 ALA CB C 13 18.93 0.20 . 1 . . . . . . . . 4671 1 288 . 1 1 26 26 ALA N N 15 122.84 0.20 . 1 . . . . . . . . 4671 1 289 . 1 1 27 27 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 4671 1 290 . 1 1 27 27 ASP HA H 1 3.97 0.02 . 1 . . . . . . . . 4671 1 291 . 1 1 27 27 ASP HB2 H 1 2.51 0.02 . 2 . . . . . . . . 4671 1 292 . 1 1 27 27 ASP HB3 H 1 2.32 0.02 . 2 . . . . . . . . 4671 1 293 . 1 1 27 27 ASP C C 13 175.90 0.20 . 1 . . . . . . . . 4671 1 294 . 1 1 27 27 ASP CA C 13 56.77 0.20 . 1 . . . . . . . . 4671 1 295 . 1 1 27 27 ASP CB C 13 39.86 0.20 . 1 . . . . . . . . 4671 1 296 . 1 1 27 27 ASP N N 15 113.49 0.20 . 1 . . . . . . . . 4671 1 297 . 1 1 28 28 ASN H H 1 7.24 0.02 . 1 . . . . . . . . 4671 1 298 . 1 1 28 28 ASN HA H 1 4.67 0.02 . 1 . . . . . . . . 4671 1 299 . 1 1 28 28 ASN HB2 H 1 2.70 0.02 . 2 . . . . . . . . 4671 1 300 . 1 1 28 28 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4671 1 301 . 1 1 28 28 ASN HD21 H 1 8.26 0.02 . 2 . . . . . . . . 4671 1 302 . 1 1 28 28 ASN HD22 H 1 6.89 0.02 . 2 . . . . . . . . 4671 1 303 . 1 1 28 28 ASN C C 13 176.24 0.20 . 1 . . . . . . . . 4671 1 304 . 1 1 28 28 ASN CA C 13 53.77 0.20 . 1 . . . . . . . . 4671 1 305 . 1 1 28 28 ASN CB C 13 40.06 0.20 . 1 . . . . . . . . 4671 1 306 . 1 1 28 28 ASN N N 15 113.13 0.20 . 1 . . . . . . . . 4671 1 307 . 1 1 28 28 ASN ND2 N 15 116.14 0.20 . 1 . . . . . . . . 4671 1 308 . 1 1 29 29 LEU H H 1 8.16 0.02 . 1 . . . . . . . . 4671 1 309 . 1 1 29 29 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4671 1 310 . 1 1 29 29 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4671 1 311 . 1 1 29 29 LEU HB3 H 1 1.41 0.02 . 2 . . . . . . . . 4671 1 312 . 1 1 29 29 LEU HG H 1 1.04 0.02 . 1 . . . . . . . . 4671 1 313 . 1 1 29 29 LEU HD11 H 1 0.62 0.02 . 2 . . . . . . . . 4671 1 314 . 1 1 29 29 LEU HD12 H 1 0.62 0.02 . 2 . . . . . . . . 4671 1 315 . 1 1 29 29 LEU HD13 H 1 0.62 0.02 . 2 . . . . . . . . 4671 1 316 . 1 1 29 29 LEU HD21 H 1 0.41 0.02 . 2 . . . . . . . . 4671 1 317 . 1 1 29 29 LEU HD22 H 1 0.41 0.02 . 2 . . . . . . . . 4671 1 318 . 1 1 29 29 LEU HD23 H 1 0.41 0.02 . 2 . . . . . . . . 4671 1 319 . 1 1 29 29 LEU C C 13 177.95 0.20 . 1 . . . . . . . . 4671 1 320 . 1 1 29 29 LEU CA C 13 57.59 0.20 . 1 . . . . . . . . 4671 1 321 . 1 1 29 29 LEU CB C 13 42.75 0.20 . 1 . . . . . . . . 4671 1 322 . 1 1 29 29 LEU CG C 13 27.10 0.20 . 1 . . . . . . . . 4671 1 323 . 1 1 29 29 LEU CD1 C 13 25.76 0.20 . 2 . . . . . . . . 4671 1 324 . 1 1 29 29 LEU CD2 C 13 22.13 0.20 . 2 . . . . . . . . 4671 1 325 . 1 1 29 29 LEU N N 15 120.79 0.20 . 1 . . . . . . . . 4671 1 326 . 1 1 30 30 VAL H H 1 8.28 0.02 . 1 . . . . . . . . 4671 1 327 . 1 1 30 30 VAL HA H 1 3.45 0.02 . 1 . . . . . . . . 4671 1 328 . 1 1 30 30 VAL HB H 1 2.14 0.02 . 1 . . . . . . . . 4671 1 329 . 1 1 30 30 VAL HG11 H 1 0.91 0.02 . 2 . . . . . . . . 4671 1 330 . 1 1 30 30 VAL HG12 H 1 0.91 0.02 . 2 . . . . . . . . 4671 1 331 . 1 1 30 30 VAL HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4671 1 332 . 1 1 30 30 VAL HG21 H 1 0.88 0.02 . 2 . . . . . . . . 4671 1 333 . 1 1 30 30 VAL HG22 H 1 0.88 0.02 . 2 . . . . . . . . 4671 1 334 . 1 1 30 30 VAL HG23 H 1 0.88 0.02 . 2 . . . . . . . . 4671 1 335 . 1 1 30 30 VAL CA C 13 68.85 0.20 . 1 . . . . . . . . 4671 1 336 . 1 1 30 30 VAL CB C 13 28.81 0.20 . 1 . . . . . . . . 4671 1 337 . 1 1 30 30 VAL CG1 C 13 23.65 0.20 . 2 . . . . . . . . 4671 1 338 . 1 1 30 30 VAL CG2 C 13 23.12 0.20 . 2 . . . . . . . . 4671 1 339 . 1 1 30 30 VAL N N 15 116.85 0.20 . 1 . . . . . . . . 4671 1 340 . 1 1 31 31 PRO HA H 1 4.47 0.02 . 1 . . . . . . . . 4671 1 341 . 1 1 31 31 PRO HB2 H 1 2.33 0.02 . 2 . . . . . . . . 4671 1 342 . 1 1 31 31 PRO HB3 H 1 1.58 0.02 . 2 . . . . . . . . 4671 1 343 . 1 1 31 31 PRO HG2 H 1 2.00 0.02 . 1 . . . . . . . . 4671 1 344 . 1 1 31 31 PRO HG3 H 1 2.00 0.02 . 1 . . . . . . . . 4671 1 345 . 1 1 31 31 PRO HD2 H 1 3.36 0.02 . 2 . . . . . . . . 4671 1 346 . 1 1 31 31 PRO HD3 H 1 3.08 0.02 . 2 . . . . . . . . 4671 1 347 . 1 1 31 31 PRO C C 13 177.60 0.20 . 1 . . . . . . . . 4671 1 348 . 1 1 31 31 PRO CA C 13 65.54 0.20 . 1 . . . . . . . . 4671 1 349 . 1 1 31 31 PRO CB C 13 31.24 0.20 . 1 . . . . . . . . 4671 1 350 . 1 1 31 31 PRO CG C 13 28.30 0.20 . 1 . . . . . . . . 4671 1 351 . 1 1 31 31 PRO CD C 13 50.27 0.20 . 1 . . . . . . . . 4671 1 352 . 1 1 32 32 LYS H H 1 6.95 0.02 . 1 . . . . . . . . 4671 1 353 . 1 1 32 32 LYS HA H 1 4.09 0.02 . 1 . . . . . . . . 4671 1 354 . 1 1 32 32 LYS HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4671 1 355 . 1 1 32 32 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4671 1 356 . 1 1 32 32 LYS HG2 H 1 1.32 0.02 . 1 . . . . . . . . 4671 1 357 . 1 1 32 32 LYS HG3 H 1 1.32 0.02 . 1 . . . . . . . . 4671 1 358 . 1 1 32 32 LYS C C 13 178.15 0.20 . 1 . . . . . . . . 4671 1 359 . 1 1 32 32 LYS CA C 13 58.04 0.20 . 1 . . . . . . . . 4671 1 360 . 1 1 32 32 LYS CB C 13 32.95 0.20 . 1 . . . . . . . . 4671 1 361 . 1 1 32 32 LYS N N 15 112.26 0.20 . 1 . . . . . . . . 4671 1 362 . 1 1 33 33 ILE H H 1 7.41 0.02 . 1 . . . . . . . . 4671 1 363 . 1 1 33 33 ILE HA H 1 4.34 0.02 . 1 . . . . . . . . 4671 1 364 . 1 1 33 33 ILE HB H 1 1.86 0.02 . 1 . . . . . . . . 4671 1 365 . 1 1 33 33 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 4671 1 366 . 1 1 33 33 ILE HG13 H 1 1.05 0.02 . 2 . . . . . . . . 4671 1 367 . 1 1 33 33 ILE HG21 H 1 0.57 0.02 . 1 . . . . . . . . 4671 1 368 . 1 1 33 33 ILE HG22 H 1 0.57 0.02 . 1 . . . . . . . . 4671 1 369 . 1 1 33 33 ILE HG23 H 1 0.57 0.02 . 1 . . . . . . . . 4671 1 370 . 1 1 33 33 ILE HD11 H 1 0.47 0.02 . 1 . . . . . . . . 4671 1 371 . 1 1 33 33 ILE HD12 H 1 0.47 0.02 . 1 . . . . . . . . 4671 1 372 . 1 1 33 33 ILE HD13 H 1 0.47 0.02 . 1 . . . . . . . . 4671 1 373 . 1 1 33 33 ILE CA C 13 61.50 0.20 . 1 . . . . . . . . 4671 1 374 . 1 1 33 33 ILE CB C 13 39.55 0.20 . 1 . . . . . . . . 4671 1 375 . 1 1 33 33 ILE CG1 C 13 25.60 0.20 . 1 . . . . . . . . 4671 1 376 . 1 1 33 33 ILE CG2 C 13 18.33 0.20 . 1 . . . . . . . . 4671 1 377 . 1 1 33 33 ILE CD1 C 13 14.14 0.20 . 1 . . . . . . . . 4671 1 378 . 1 1 33 33 ILE N N 15 111.38 0.20 . 1 . . . . . . . . 4671 1 379 . 1 1 34 34 ALA H H 1 8.85 0.02 . 1 . . . . . . . . 4671 1 380 . 1 1 34 34 ALA HA H 1 4.84 0.02 . 1 . . . . . . . . 4671 1 381 . 1 1 34 34 ALA HB1 H 1 1.15 0.02 . 1 . . . . . . . . 4671 1 382 . 1 1 34 34 ALA HB2 H 1 1.15 0.02 . 1 . . . . . . . . 4671 1 383 . 1 1 34 34 ALA HB3 H 1 1.15 0.02 . 1 . . . . . . . . 4671 1 384 . 1 1 34 34 ALA CA C 13 50.65 0.20 . 1 . . . . . . . . 4671 1 385 . 1 1 34 34 ALA CB C 13 19.21 0.20 . 1 . . . . . . . . 4671 1 386 . 1 1 34 34 ALA N N 15 124.96 0.20 . 1 . . . . . . . . 4671 1 387 . 1 1 35 35 PRO HA H 1 4.62 0.02 . 1 . . . . . . . . 4671 1 388 . 1 1 35 35 PRO HB2 H 1 2.41 0.02 . 2 . . . . . . . . 4671 1 389 . 1 1 35 35 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4671 1 390 . 1 1 35 35 PRO HG2 H 1 1.92 0.02 . 1 . . . . . . . . 4671 1 391 . 1 1 35 35 PRO HG3 H 1 1.92 0.02 . 1 . . . . . . . . 4671 1 392 . 1 1 35 35 PRO HD2 H 1 3.60 0.02 . 2 . . . . . . . . 4671 1 393 . 1 1 35 35 PRO HD3 H 1 3.26 0.02 . 2 . . . . . . . . 4671 1 394 . 1 1 35 35 PRO C C 13 177.47 0.20 . 1 . . . . . . . . 4671 1 395 . 1 1 35 35 PRO CA C 13 64.28 0.20 . 1 . . . . . . . . 4671 1 396 . 1 1 35 35 PRO CB C 13 31.42 0.20 . 1 . . . . . . . . 4671 1 397 . 1 1 35 35 PRO CG C 13 27.17 0.20 . 1 . . . . . . . . 4671 1 398 . 1 1 35 35 PRO CD C 13 50.32 0.20 . 1 . . . . . . . . 4671 1 399 . 1 1 36 36 GLN H H 1 8.64 0.02 . 1 . . . . . . . . 4671 1 400 . 1 1 36 36 GLN HA H 1 4.16 0.02 . 1 . . . . . . . . 4671 1 401 . 1 1 36 36 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4671 1 402 . 1 1 36 36 GLN HB3 H 1 1.96 0.02 . 2 . . . . . . . . 4671 1 403 . 1 1 36 36 GLN HG2 H 1 2.42 0.02 . 2 . . . . . . . . 4671 1 404 . 1 1 36 36 GLN HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4671 1 405 . 1 1 36 36 GLN HE21 H 1 7.55 0.02 . 2 . . . . . . . . 4671 1 406 . 1 1 36 36 GLN HE22 H 1 6.90 0.02 . 2 . . . . . . . . 4671 1 407 . 1 1 36 36 GLN C C 13 175.97 0.20 . 1 . . . . . . . . 4671 1 408 . 1 1 36 36 GLN CA C 13 57.20 0.20 . 1 . . . . . . . . 4671 1 409 . 1 1 36 36 GLN CB C 13 27.52 0.20 . 1 . . . . . . . . 4671 1 410 . 1 1 36 36 GLN CG C 13 33.47 0.20 . 1 . . . . . . . . 4671 1 411 . 1 1 36 36 GLN N N 15 115.89 0.20 . 1 . . . . . . . . 4671 1 412 . 1 1 36 36 GLN NE2 N 15 111.73 0.20 . 1 . . . . . . . . 4671 1 413 . 1 1 37 37 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 4671 1 414 . 1 1 37 37 ALA HA H 1 4.29 0.02 . 1 . . . . . . . . 4671 1 415 . 1 1 37 37 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4671 1 416 . 1 1 37 37 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4671 1 417 . 1 1 37 37 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4671 1 418 . 1 1 37 37 ALA CA C 13 53.67 0.20 . 1 . . . . . . . . 4671 1 419 . 1 1 37 37 ALA CB C 13 19.53 0.20 . 1 . . . . . . . . 4671 1 420 . 1 1 37 37 ALA N N 15 123.60 0.20 . 1 . . . . . . . . 4671 1 421 . 1 1 38 38 ILE H H 1 7.37 0.02 . 1 . . . . . . . . 4671 1 422 . 1 1 38 38 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4671 1 423 . 1 1 38 38 ILE HB H 1 1.47 0.02 . 1 . . . . . . . . 4671 1 424 . 1 1 38 38 ILE HG12 H 1 1.31 0.02 . 2 . . . . . . . . 4671 1 425 . 1 1 38 38 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4671 1 426 . 1 1 38 38 ILE HG21 H 1 0.61 0.02 . 1 . . . . . . . . 4671 1 427 . 1 1 38 38 ILE HG22 H 1 0.61 0.02 . 1 . . . . . . . . 4671 1 428 . 1 1 38 38 ILE HG23 H 1 0.61 0.02 . 1 . . . . . . . . 4671 1 429 . 1 1 38 38 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 430 . 1 1 38 38 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 431 . 1 1 38 38 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 432 . 1 1 38 38 ILE C C 13 173.04 0.20 . 1 . . . . . . . . 4671 1 433 . 1 1 38 38 ILE CA C 13 61.85 0.20 . 1 . . . . . . . . 4671 1 434 . 1 1 38 38 ILE CB C 13 41.40 0.20 . 1 . . . . . . . . 4671 1 435 . 1 1 38 38 ILE CG1 C 13 27.26 0.20 . 1 . . . . . . . . 4671 1 436 . 1 1 38 38 ILE CG2 C 13 17.00 0.20 . 1 . . . . . . . . 4671 1 437 . 1 1 38 38 ILE CD1 C 13 12.92 0.20 . 1 . . . . . . . . 4671 1 438 . 1 1 38 38 ILE N N 15 116.23 0.20 . 1 . . . . . . . . 4671 1 439 . 1 1 39 39 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4671 1 440 . 1 1 39 39 LYS HA H 1 4.41 0.02 . 1 . . . . . . . . 4671 1 441 . 1 1 39 39 LYS HB2 H 1 1.69 0.02 . 2 . . . . . . . . 4671 1 442 . 1 1 39 39 LYS HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4671 1 443 . 1 1 39 39 LYS HG2 H 1 1.24 0.02 . 1 . . . . . . . . 4671 1 444 . 1 1 39 39 LYS HG3 H 1 1.24 0.02 . 1 . . . . . . . . 4671 1 445 . 1 1 39 39 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4671 1 446 . 1 1 39 39 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4671 1 447 . 1 1 39 39 LYS C C 13 176.60 0.20 . 1 . . . . . . . . 4671 1 448 . 1 1 39 39 LYS CA C 13 57.10 0.20 . 1 . . . . . . . . 4671 1 449 . 1 1 39 39 LYS CB C 13 34.01 0.20 . 1 . . . . . . . . 4671 1 450 . 1 1 39 39 LYS CG C 13 24.86 0.20 . 1 . . . . . . . . 4671 1 451 . 1 1 39 39 LYS CD C 13 29.90 0.20 . 1 . . . . . . . . 4671 1 452 . 1 1 39 39 LYS N N 15 125.37 0.20 . 1 . . . . . . . . 4671 1 453 . 1 1 40 40 HIS H H 1 7.64 0.02 . 1 . . . . . . . . 4671 1 454 . 1 1 40 40 HIS HA H 1 4.65 0.02 . 1 . . . . . . . . 4671 1 455 . 1 1 40 40 HIS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4671 1 456 . 1 1 40 40 HIS HB3 H 1 2.99 0.02 . 2 . . . . . . . . 4671 1 457 . 1 1 40 40 HIS HD2 H 1 6.86 0.02 . 1 . . . . . . . . 4671 1 458 . 1 1 40 40 HIS HE1 H 1 7.66 0.02 . 1 . . . . . . . . 4671 1 459 . 1 1 40 40 HIS C C 13 172.42 0.20 . 1 . . . . . . . . 4671 1 460 . 1 1 40 40 HIS CA C 13 55.77 0.20 . 1 . . . . . . . . 4671 1 461 . 1 1 40 40 HIS CB C 13 33.23 0.20 . 1 . . . . . . . . 4671 1 462 . 1 1 40 40 HIS N N 15 114.86 0.20 . 1 . . . . . . . . 4671 1 463 . 1 1 41 41 SER H H 1 7.90 0.02 . 1 . . . . . . . . 4671 1 464 . 1 1 41 41 SER HA H 1 5.11 0.02 . 1 . . . . . . . . 4671 1 465 . 1 1 41 41 SER HB2 H 1 3.46 0.02 . 2 . . . . . . . . 4671 1 466 . 1 1 41 41 SER HB3 H 1 3.32 0.02 . 2 . . . . . . . . 4671 1 467 . 1 1 41 41 SER C C 13 172.58 0.20 . 1 . . . . . . . . 4671 1 468 . 1 1 41 41 SER CA C 13 56.36 0.20 . 1 . . . . . . . . 4671 1 469 . 1 1 41 41 SER CB C 13 64.77 0.20 . 1 . . . . . . . . 4671 1 470 . 1 1 41 41 SER N N 15 118.18 0.20 . 1 . . . . . . . . 4671 1 471 . 1 1 42 42 GLU H H 1 8.57 0.02 . 1 . . . . . . . . 4671 1 472 . 1 1 42 42 GLU HA H 1 4.59 0.02 . 1 . . . . . . . . 4671 1 473 . 1 1 42 42 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4671 1 474 . 1 1 42 42 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4671 1 475 . 1 1 42 42 GLU C C 13 174.73 0.20 . 1 . . . . . . . . 4671 1 476 . 1 1 42 42 GLU CA C 13 54.30 0.20 . 1 . . . . . . . . 4671 1 477 . 1 1 42 42 GLU CB C 13 33.88 0.20 . 1 . . . . . . . . 4671 1 478 . 1 1 42 42 GLU CG C 13 35.92 0.20 . 1 . . . . . . . . 4671 1 479 . 1 1 42 42 GLU N N 15 123.77 0.20 . 1 . . . . . . . . 4671 1 480 . 1 1 43 43 ILE H H 1 8.84 0.02 . 1 . . . . . . . . 4671 1 481 . 1 1 43 43 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 4671 1 482 . 1 1 43 43 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4671 1 483 . 1 1 43 43 ILE HG12 H 1 1.60 0.02 . 1 . . . . . . . . 4671 1 484 . 1 1 43 43 ILE HG13 H 1 1.60 0.02 . 1 . . . . . . . . 4671 1 485 . 1 1 43 43 ILE HG21 H 1 0.69 0.02 . 1 . . . . . . . . 4671 1 486 . 1 1 43 43 ILE HG22 H 1 0.69 0.02 . 1 . . . . . . . . 4671 1 487 . 1 1 43 43 ILE HG23 H 1 0.69 0.02 . 1 . . . . . . . . 4671 1 488 . 1 1 43 43 ILE HD11 H 1 0.70 0.02 . 1 . . . . . . . . 4671 1 489 . 1 1 43 43 ILE HD12 H 1 0.70 0.02 . 1 . . . . . . . . 4671 1 490 . 1 1 43 43 ILE HD13 H 1 0.70 0.02 . 1 . . . . . . . . 4671 1 491 . 1 1 43 43 ILE C C 13 176.26 0.20 . 1 . . . . . . . . 4671 1 492 . 1 1 43 43 ILE CA C 13 62.10 0.20 . 1 . . . . . . . . 4671 1 493 . 1 1 43 43 ILE CB C 13 37.74 0.20 . 1 . . . . . . . . 4671 1 494 . 1 1 43 43 ILE CG1 C 13 28.76 0.20 . 1 . . . . . . . . 4671 1 495 . 1 1 43 43 ILE CG2 C 13 18.09 0.20 . 1 . . . . . . . . 4671 1 496 . 1 1 43 43 ILE CD1 C 13 11.80 0.20 . 1 . . . . . . . . 4671 1 497 . 1 1 43 43 ILE N N 15 125.18 0.20 . 1 . . . . . . . . 4671 1 498 . 1 1 44 44 LEU H H 1 9.13 0.02 . 1 . . . . . . . . 4671 1 499 . 1 1 44 44 LEU HA H 1 4.41 0.02 . 1 . . . . . . . . 4671 1 500 . 1 1 44 44 LEU HB2 H 1 1.60 0.02 . 1 . . . . . . . . 4671 1 501 . 1 1 44 44 LEU HB3 H 1 1.60 0.02 . 1 . . . . . . . . 4671 1 502 . 1 1 44 44 LEU C C 13 177.23 0.20 . 1 . . . . . . . . 4671 1 503 . 1 1 44 44 LEU CA C 13 55.88 0.20 . 1 . . . . . . . . 4671 1 504 . 1 1 44 44 LEU CB C 13 42.56 0.20 . 1 . . . . . . . . 4671 1 505 . 1 1 44 44 LEU N N 15 129.14 0.20 . 1 . . . . . . . . 4671 1 506 . 1 1 45 45 GLU H H 1 7.60 0.02 . 1 . . . . . . . . 4671 1 507 . 1 1 45 45 GLU HA H 1 4.55 0.02 . 1 . . . . . . . . 4671 1 508 . 1 1 45 45 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4671 1 509 . 1 1 45 45 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4671 1 510 . 1 1 45 45 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4671 1 511 . 1 1 45 45 GLU HG3 H 1 2.13 0.02 . 2 . . . . . . . . 4671 1 512 . 1 1 45 45 GLU C C 13 174.68 0.20 . 1 . . . . . . . . 4671 1 513 . 1 1 45 45 GLU CA C 13 55.71 0.20 . 1 . . . . . . . . 4671 1 514 . 1 1 45 45 GLU CB C 13 33.48 0.20 . 1 . . . . . . . . 4671 1 515 . 1 1 45 45 GLU CG C 13 35.95 0.20 . 1 . . . . . . . . 4671 1 516 . 1 1 45 45 GLU N N 15 116.33 0.20 . 1 . . . . . . . . 4671 1 517 . 1 1 46 46 GLY H H 1 8.52 0.02 . 1 . . . . . . . . 4671 1 518 . 1 1 46 46 GLY HA2 H 1 4.63 0.02 . 2 . . . . . . . . 4671 1 519 . 1 1 46 46 GLY HA3 H 1 3.79 0.02 . 2 . . . . . . . . 4671 1 520 . 1 1 46 46 GLY C C 13 173.55 0.20 . 1 . . . . . . . . 4671 1 521 . 1 1 46 46 GLY CA C 13 44.56 0.20 . 1 . . . . . . . . 4671 1 522 . 1 1 46 46 GLY N N 15 110.06 0.20 . 1 . . . . . . . . 4671 1 523 . 1 1 47 47 ASP H H 1 7.85 0.02 . 1 . . . . . . . . 4671 1 524 . 1 1 47 47 ASP HA H 1 4.70 0.02 . 1 . . . . . . . . 4671 1 525 . 1 1 47 47 ASP HB2 H 1 3.02 0.02 . 2 . . . . . . . . 4671 1 526 . 1 1 47 47 ASP HB3 H 1 2.53 0.02 . 2 . . . . . . . . 4671 1 527 . 1 1 47 47 ASP C C 13 177.22 0.20 . 1 . . . . . . . . 4671 1 528 . 1 1 47 47 ASP CA C 13 53.13 0.20 . 1 . . . . . . . . 4671 1 529 . 1 1 47 47 ASP CB C 13 41.71 0.20 . 1 . . . . . . . . 4671 1 530 . 1 1 47 47 ASP N N 15 115.30 0.20 . 1 . . . . . . . . 4671 1 531 . 1 1 48 48 GLY H H 1 8.75 0.02 . 1 . . . . . . . . 4671 1 532 . 1 1 48 48 GLY HA2 H 1 4.64 0.02 . 2 . . . . . . . . 4671 1 533 . 1 1 48 48 GLY HA3 H 1 3.39 0.02 . 2 . . . . . . . . 4671 1 534 . 1 1 48 48 GLY C C 13 174.61 0.20 . 1 . . . . . . . . 4671 1 535 . 1 1 48 48 GLY CA C 13 45.15 0.20 . 1 . . . . . . . . 4671 1 536 . 1 1 48 48 GLY N N 15 110.79 0.20 . 1 . . . . . . . . 4671 1 537 . 1 1 49 49 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 4671 1 538 . 1 1 49 49 GLY HA2 H 1 4.46 0.02 . 2 . . . . . . . . 4671 1 539 . 1 1 49 49 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 4671 1 540 . 1 1 49 49 GLY CA C 13 43.54 0.20 . 1 . . . . . . . . 4671 1 541 . 1 1 49 49 GLY N N 15 106.83 0.20 . 1 . . . . . . . . 4671 1 542 . 1 1 50 50 PRO HA H 1 3.95 0.02 . 1 . . . . . . . . 4671 1 543 . 1 1 50 50 PRO HB2 H 1 2.32 0.02 . 2 . . . . . . . . 4671 1 544 . 1 1 50 50 PRO HB3 H 1 1.95 0.02 . 2 . . . . . . . . 4671 1 545 . 1 1 50 50 PRO HG2 H 1 1.96 0.02 . 1 . . . . . . . . 4671 1 546 . 1 1 50 50 PRO HG3 H 1 1.96 0.02 . 1 . . . . . . . . 4671 1 547 . 1 1 50 50 PRO HD2 H 1 3.75 0.02 . 2 . . . . . . . . 4671 1 548 . 1 1 50 50 PRO HD3 H 1 3.61 0.02 . 2 . . . . . . . . 4671 1 549 . 1 1 50 50 PRO C C 13 176.52 0.20 . 1 . . . . . . . . 4671 1 550 . 1 1 50 50 PRO CA C 13 64.73 0.20 . 1 . . . . . . . . 4671 1 551 . 1 1 50 50 PRO CB C 13 31.32 0.20 . 1 . . . . . . . . 4671 1 552 . 1 1 50 50 PRO CG C 13 26.43 0.20 . 1 . . . . . . . . 4671 1 553 . 1 1 50 50 PRO CD C 13 49.91 0.20 . 1 . . . . . . . . 4671 1 554 . 1 1 51 51 GLY H H 1 9.36 0.02 . 1 . . . . . . . . 4671 1 555 . 1 1 51 51 GLY HA2 H 1 4.53 0.02 . 2 . . . . . . . . 4671 1 556 . 1 1 51 51 GLY HA3 H 1 3.49 0.02 . 2 . . . . . . . . 4671 1 557 . 1 1 51 51 GLY C C 13 174.07 0.20 . 1 . . . . . . . . 4671 1 558 . 1 1 51 51 GLY CA C 13 44.77 0.20 . 1 . . . . . . . . 4671 1 559 . 1 1 51 51 GLY N N 15 114.40 0.20 . 1 . . . . . . . . 4671 1 560 . 1 1 52 52 THR H H 1 7.90 0.02 . 1 . . . . . . . . 4671 1 561 . 1 1 52 52 THR HA H 1 4.66 0.02 . 1 . . . . . . . . 4671 1 562 . 1 1 52 52 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 4671 1 563 . 1 1 52 52 THR HG1 H 1 6.79 0.02 . 1 . . . . . . . . 4671 1 564 . 1 1 52 52 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4671 1 565 . 1 1 52 52 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4671 1 566 . 1 1 52 52 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4671 1 567 . 1 1 52 52 THR C C 13 173.30 0.20 . 1 . . . . . . . . 4671 1 568 . 1 1 52 52 THR CA C 13 64.27 0.20 . 1 . . . . . . . . 4671 1 569 . 1 1 52 52 THR CB C 13 69.72 0.20 . 1 . . . . . . . . 4671 1 570 . 1 1 52 52 THR CG2 C 13 21.24 0.20 . 1 . . . . . . . . 4671 1 571 . 1 1 52 52 THR N N 15 118.83 0.20 . 1 . . . . . . . . 4671 1 572 . 1 1 53 53 ILE H H 1 8.52 0.02 . 1 . . . . . . . . 4671 1 573 . 1 1 53 53 ILE HA H 1 5.23 0.02 . 1 . . . . . . . . 4671 1 574 . 1 1 53 53 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 4671 1 575 . 1 1 53 53 ILE HG12 H 1 1.74 0.02 . 2 . . . . . . . . 4671 1 576 . 1 1 53 53 ILE HG13 H 1 1.03 0.02 . 2 . . . . . . . . 4671 1 577 . 1 1 53 53 ILE HG21 H 1 0.89 0.02 . 1 . . . . . . . . 4671 1 578 . 1 1 53 53 ILE HG22 H 1 0.89 0.02 . 1 . . . . . . . . 4671 1 579 . 1 1 53 53 ILE HG23 H 1 0.89 0.02 . 1 . . . . . . . . 4671 1 580 . 1 1 53 53 ILE HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 581 . 1 1 53 53 ILE HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 582 . 1 1 53 53 ILE HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4671 1 583 . 1 1 53 53 ILE C C 13 175.31 0.20 . 1 . . . . . . . . 4671 1 584 . 1 1 53 53 ILE CA C 13 59.66 0.20 . 1 . . . . . . . . 4671 1 585 . 1 1 53 53 ILE CB C 13 39.69 0.20 . 1 . . . . . . . . 4671 1 586 . 1 1 53 53 ILE CG1 C 13 27.34 0.20 . 1 . . . . . . . . 4671 1 587 . 1 1 53 53 ILE CG2 C 13 17.96 0.20 . 1 . . . . . . . . 4671 1 588 . 1 1 53 53 ILE CD1 C 13 12.10 0.20 . 1 . . . . . . . . 4671 1 589 . 1 1 53 53 ILE N N 15 125.42 0.20 . 1 . . . . . . . . 4671 1 590 . 1 1 54 54 LYS H H 1 9.41 0.02 . 1 . . . . . . . . 4671 1 591 . 1 1 54 54 LYS HA H 1 5.26 0.02 . 1 . . . . . . . . 4671 1 592 . 1 1 54 54 LYS HB2 H 1 1.55 0.02 . 2 . . . . . . . . 4671 1 593 . 1 1 54 54 LYS HB3 H 1 1.47 0.02 . 2 . . . . . . . . 4671 1 594 . 1 1 54 54 LYS HG2 H 1 1.25 0.02 . 1 . . . . . . . . 4671 1 595 . 1 1 54 54 LYS HG3 H 1 1.25 0.02 . 1 . . . . . . . . 4671 1 596 . 1 1 54 54 LYS C C 13 174.30 0.20 . 1 . . . . . . . . 4671 1 597 . 1 1 54 54 LYS CA C 13 54.11 0.20 . 1 . . . . . . . . 4671 1 598 . 1 1 54 54 LYS CB C 13 36.42 0.20 . 1 . . . . . . . . 4671 1 599 . 1 1 54 54 LYS CG C 13 25.33 0.20 . 1 . . . . . . . . 4671 1 600 . 1 1 54 54 LYS N N 15 126.67 0.20 . 1 . . . . . . . . 4671 1 601 . 1 1 55 55 LYS H H 1 9.23 0.02 . 1 . . . . . . . . 4671 1 602 . 1 1 55 55 LYS HA H 1 5.13 0.02 . 1 . . . . . . . . 4671 1 603 . 1 1 55 55 LYS HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4671 1 604 . 1 1 55 55 LYS HB3 H 1 1.44 0.02 . 2 . . . . . . . . 4671 1 605 . 1 1 55 55 LYS C C 13 174.94 0.20 . 1 . . . . . . . . 4671 1 606 . 1 1 55 55 LYS CA C 13 54.82 0.20 . 1 . . . . . . . . 4671 1 607 . 1 1 55 55 LYS CB C 13 35.97 0.20 . 1 . . . . . . . . 4671 1 608 . 1 1 55 55 LYS N N 15 123.50 0.20 . 1 . . . . . . . . 4671 1 609 . 1 1 56 56 ILE H H 1 9.17 0.02 . 1 . . . . . . . . 4671 1 610 . 1 1 56 56 ILE HA H 1 4.62 0.02 . 1 . . . . . . . . 4671 1 611 . 1 1 56 56 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . 4671 1 612 . 1 1 56 56 ILE HG12 H 1 1.07 0.02 . 2 . . . . . . . . 4671 1 613 . 1 1 56 56 ILE HG13 H 1 0.87 0.02 . 2 . . . . . . . . 4671 1 614 . 1 1 56 56 ILE HG21 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 615 . 1 1 56 56 ILE HG22 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 616 . 1 1 56 56 ILE HG23 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 617 . 1 1 56 56 ILE HD11 H 1 0.35 0.02 . 1 . . . . . . . . 4671 1 618 . 1 1 56 56 ILE HD12 H 1 0.35 0.02 . 1 . . . . . . . . 4671 1 619 . 1 1 56 56 ILE HD13 H 1 0.35 0.02 . 1 . . . . . . . . 4671 1 620 . 1 1 56 56 ILE C C 13 174.84 0.20 . 1 . . . . . . . . 4671 1 621 . 1 1 56 56 ILE CA C 13 60.52 0.20 . 1 . . . . . . . . 4671 1 622 . 1 1 56 56 ILE CB C 13 39.62 0.20 . 1 . . . . . . . . 4671 1 623 . 1 1 56 56 ILE CG1 C 13 27.87 0.20 . 1 . . . . . . . . 4671 1 624 . 1 1 56 56 ILE CG2 C 13 18.94 0.20 . 1 . . . . . . . . 4671 1 625 . 1 1 56 56 ILE CD1 C 13 13.43 0.20 . 1 . . . . . . . . 4671 1 626 . 1 1 56 56 ILE N N 15 132.34 0.20 . 1 . . . . . . . . 4671 1 627 . 1 1 57 57 THR H H 1 8.78 0.02 . 1 . . . . . . . . 4671 1 628 . 1 1 57 57 THR HA H 1 4.79 0.02 . 1 . . . . . . . . 4671 1 629 . 1 1 57 57 THR HB H 1 3.85 0.02 . 1 . . . . . . . . 4671 1 630 . 1 1 57 57 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 4671 1 631 . 1 1 57 57 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 4671 1 632 . 1 1 57 57 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 4671 1 633 . 1 1 57 57 THR C C 13 175.73 0.20 . 1 . . . . . . . . 4671 1 634 . 1 1 57 57 THR CA C 13 61.33 0.20 . 1 . . . . . . . . 4671 1 635 . 1 1 57 57 THR CB C 13 70.13 0.20 . 1 . . . . . . . . 4671 1 636 . 1 1 57 57 THR CG2 C 13 21.71 0.20 . 1 . . . . . . . . 4671 1 637 . 1 1 57 57 THR N N 15 121.78 0.20 . 1 . . . . . . . . 4671 1 638 . 1 1 58 58 PHE H H 1 8.36 0.02 . 1 . . . . . . . . 4671 1 639 . 1 1 58 58 PHE HA H 1 4.91 0.02 . 1 . . . . . . . . 4671 1 640 . 1 1 58 58 PHE HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4671 1 641 . 1 1 58 58 PHE HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4671 1 642 . 1 1 58 58 PHE HD1 H 1 7.05 0.02 . 1 . . . . . . . . 4671 1 643 . 1 1 58 58 PHE HD2 H 1 7.05 0.02 . 1 . . . . . . . . 4671 1 644 . 1 1 58 58 PHE HE1 H 1 7.15 0.02 . 1 . . . . . . . . 4671 1 645 . 1 1 58 58 PHE HE2 H 1 7.15 0.02 . 1 . . . . . . . . 4671 1 646 . 1 1 58 58 PHE C C 13 174.37 0.20 . 1 . . . . . . . . 4671 1 647 . 1 1 58 58 PHE CA C 13 56.66 0.20 . 1 . . . . . . . . 4671 1 648 . 1 1 58 58 PHE CB C 13 40.98 0.20 . 1 . . . . . . . . 4671 1 649 . 1 1 58 58 PHE N N 15 123.93 0.20 . 1 . . . . . . . . 4671 1 650 . 1 1 59 59 GLY H H 1 8.02 0.02 . 1 . . . . . . . . 4671 1 651 . 1 1 59 59 GLY HA2 H 1 4.10 0.02 . 2 . . . . . . . . 4671 1 652 . 1 1 59 59 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 4671 1 653 . 1 1 59 59 GLY C C 13 173.06 0.20 . 1 . . . . . . . . 4671 1 654 . 1 1 59 59 GLY CA C 13 44.68 0.20 . 1 . . . . . . . . 4671 1 655 . 1 1 59 59 GLY N N 15 105.42 0.20 . 1 . . . . . . . . 4671 1 656 . 1 1 60 60 GLU H H 1 8.15 0.02 . 1 . . . . . . . . 4671 1 657 . 1 1 60 60 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4671 1 658 . 1 1 60 60 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4671 1 659 . 1 1 60 60 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4671 1 660 . 1 1 60 60 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 4671 1 661 . 1 1 60 60 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 4671 1 662 . 1 1 60 60 GLU C C 13 176.17 0.20 . 1 . . . . . . . . 4671 1 663 . 1 1 60 60 GLU CA C 13 56.49 0.20 . 1 . . . . . . . . 4671 1 664 . 1 1 60 60 GLU CB C 13 30.39 0.20 . 1 . . . . . . . . 4671 1 665 . 1 1 60 60 GLU N N 15 119.05 0.20 . 1 . . . . . . . . 4671 1 666 . 1 1 61 61 GLY H H 1 8.50 0.02 . 1 . . . . . . . . 4671 1 667 . 1 1 61 61 GLY HA2 H 1 4.02 0.02 . 2 . . . . . . . . 4671 1 668 . 1 1 61 61 GLY HA3 H 1 3.83 0.02 . 2 . . . . . . . . 4671 1 669 . 1 1 61 61 GLY CA C 13 45.39 0.20 . 1 . . . . . . . . 4671 1 670 . 1 1 61 61 GLY N N 15 111.03 0.20 . 1 . . . . . . . . 4671 1 671 . 1 1 63 63 GLN HG2 H 1 2.18 0.02 . 2 . . . . . . . . 4671 1 672 . 1 1 63 63 GLN HE21 H 1 7.40 0.02 . 2 . . . . . . . . 4671 1 673 . 1 1 63 63 GLN HE22 H 1 6.73 0.02 . 2 . . . . . . . . 4671 1 674 . 1 1 63 63 GLN C C 13 174.94 0.20 . 1 . . . . . . . . 4671 1 675 . 1 1 63 63 GLN CA C 13 56.12 0.20 . 1 . . . . . . . . 4671 1 676 . 1 1 63 63 GLN CB C 13 28.81 0.20 . 1 . . . . . . . . 4671 1 677 . 1 1 63 63 GLN CG C 13 33.82 0.20 . 1 . . . . . . . . 4671 1 678 . 1 1 63 63 GLN NE2 N 15 112.14 0.20 . 1 . . . . . . . . 4671 1 679 . 1 1 64 64 TYR H H 1 7.76 0.02 . 1 . . . . . . . . 4671 1 680 . 1 1 64 64 TYR HA H 1 4.77 0.02 . 1 . . . . . . . . 4671 1 681 . 1 1 64 64 TYR HB2 H 1 2.87 0.02 . 2 . . . . . . . . 4671 1 682 . 1 1 64 64 TYR HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4671 1 683 . 1 1 64 64 TYR HD1 H 1 6.92 0.02 . 1 . . . . . . . . 4671 1 684 . 1 1 64 64 TYR HD2 H 1 6.92 0.02 . 1 . . . . . . . . 4671 1 685 . 1 1 64 64 TYR C C 13 175.62 0.20 . 1 . . . . . . . . 4671 1 686 . 1 1 64 64 TYR CA C 13 56.95 0.20 . 1 . . . . . . . . 4671 1 687 . 1 1 64 64 TYR CB C 13 39.38 0.20 . 1 . . . . . . . . 4671 1 688 . 1 1 64 64 TYR N N 15 119.37 0.20 . 1 . . . . . . . . 4671 1 689 . 1 1 65 65 GLY H H 1 8.21 0.02 . 1 . . . . . . . . 4671 1 690 . 1 1 65 65 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 4671 1 691 . 1 1 65 65 GLY HA3 H 1 3.65 0.02 . 2 . . . . . . . . 4671 1 692 . 1 1 65 65 GLY C C 13 176.55 0.20 . 1 . . . . . . . . 4671 1 693 . 1 1 65 65 GLY CA C 13 45.13 0.20 . 1 . . . . . . . . 4671 1 694 . 1 1 65 65 GLY N N 15 111.00 0.20 . 1 . . . . . . . . 4671 1 695 . 1 1 66 66 TYR H H 1 7.95 0.02 . 1 . . . . . . . . 4671 1 696 . 1 1 66 66 TYR HA H 1 5.62 0.02 . 1 . . . . . . . . 4671 1 697 . 1 1 66 66 TYR HB2 H 1 2.86 0.02 . 1 . . . . . . . . 4671 1 698 . 1 1 66 66 TYR HB3 H 1 2.86 0.02 . 1 . . . . . . . . 4671 1 699 . 1 1 66 66 TYR HD1 H 1 6.83 0.02 . 1 . . . . . . . . 4671 1 700 . 1 1 66 66 TYR HD2 H 1 6.83 0.02 . 1 . . . . . . . . 4671 1 701 . 1 1 66 66 TYR HE1 H 1 6.71 0.02 . 1 . . . . . . . . 4671 1 702 . 1 1 66 66 TYR HE2 H 1 6.71 0.02 . 1 . . . . . . . . 4671 1 703 . 1 1 66 66 TYR C C 13 174.64 0.20 . 1 . . . . . . . . 4671 1 704 . 1 1 66 66 TYR CA C 13 56.10 0.20 . 1 . . . . . . . . 4671 1 705 . 1 1 66 66 TYR CB C 13 41.65 0.20 . 1 . . . . . . . . 4671 1 706 . 1 1 66 66 TYR N N 15 115.33 0.20 . 1 . . . . . . . . 4671 1 707 . 1 1 67 67 VAL H H 1 8.92 0.02 . 1 . . . . . . . . 4671 1 708 . 1 1 67 67 VAL HA H 1 4.93 0.02 . 1 . . . . . . . . 4671 1 709 . 1 1 67 67 VAL HB H 1 2.29 0.02 . 1 . . . . . . . . 4671 1 710 . 1 1 67 67 VAL HG11 H 1 1.16 0.02 . 2 . . . . . . . . 4671 1 711 . 1 1 67 67 VAL HG12 H 1 1.16 0.02 . 2 . . . . . . . . 4671 1 712 . 1 1 67 67 VAL HG13 H 1 1.16 0.02 . 2 . . . . . . . . 4671 1 713 . 1 1 67 67 VAL HG21 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 714 . 1 1 67 67 VAL HG22 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 715 . 1 1 67 67 VAL HG23 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 716 . 1 1 67 67 VAL C C 13 175.26 0.20 . 1 . . . . . . . . 4671 1 717 . 1 1 67 67 VAL CA C 13 59.61 0.20 . 1 . . . . . . . . 4671 1 718 . 1 1 67 67 VAL CB C 13 36.49 0.20 . 1 . . . . . . . . 4671 1 719 . 1 1 67 67 VAL CG1 C 13 23.59 0.20 . 2 . . . . . . . . 4671 1 720 . 1 1 67 67 VAL CG2 C 13 19.25 0.20 . 2 . . . . . . . . 4671 1 721 . 1 1 67 67 VAL N N 15 113.33 0.20 . 1 . . . . . . . . 4671 1 722 . 1 1 68 68 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 4671 1 723 . 1 1 68 68 LYS HA H 1 5.67 0.02 . 1 . . . . . . . . 4671 1 724 . 1 1 68 68 LYS HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4671 1 725 . 1 1 68 68 LYS HB3 H 1 1.65 0.02 . 2 . . . . . . . . 4671 1 726 . 1 1 68 68 LYS C C 13 175.67 0.20 . 1 . . . . . . . . 4671 1 727 . 1 1 68 68 LYS CA C 13 55.31 0.20 . 1 . . . . . . . . 4671 1 728 . 1 1 68 68 LYS CB C 13 36.49 0.20 . 1 . . . . . . . . 4671 1 729 . 1 1 68 68 LYS N N 15 118.58 0.20 . 1 . . . . . . . . 4671 1 730 . 1 1 69 69 HIS H H 1 9.05 0.02 . 1 . . . . . . . . 4671 1 731 . 1 1 69 69 HIS HA H 1 5.91 0.02 . 1 . . . . . . . . 4671 1 732 . 1 1 69 69 HIS HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4671 1 733 . 1 1 69 69 HIS HB3 H 1 2.78 0.02 . 2 . . . . . . . . 4671 1 734 . 1 1 69 69 HIS HD2 H 1 6.83 0.02 . 1 . . . . . . . . 4671 1 735 . 1 1 69 69 HIS HE1 H 1 7.30 0.02 . 1 . . . . . . . . 4671 1 736 . 1 1 69 69 HIS C C 13 174.03 0.20 . 1 . . . . . . . . 4671 1 737 . 1 1 69 69 HIS CA C 13 52.25 0.20 . 1 . . . . . . . . 4671 1 738 . 1 1 69 69 HIS CB C 13 35.83 0.20 . 1 . . . . . . . . 4671 1 739 . 1 1 69 69 HIS N N 15 122.54 0.20 . 1 . . . . . . . . 4671 1 740 . 1 1 70 70 LYS H H 1 9.68 0.02 . 1 . . . . . . . . 4671 1 741 . 1 1 70 70 LYS HA H 1 5.54 0.02 . 1 . . . . . . . . 4671 1 742 . 1 1 70 70 LYS HB2 H 1 1.83 0.02 . 2 . . . . . . . . 4671 1 743 . 1 1 70 70 LYS HB3 H 1 1.50 0.02 . 2 . . . . . . . . 4671 1 744 . 1 1 70 70 LYS C C 13 175.84 0.20 . 1 . . . . . . . . 4671 1 745 . 1 1 70 70 LYS CA C 13 53.80 0.20 . 1 . . . . . . . . 4671 1 746 . 1 1 70 70 LYS CB C 13 35.98 0.20 . 1 . . . . . . . . 4671 1 747 . 1 1 70 70 LYS N N 15 123.68 0.20 . 1 . . . . . . . . 4671 1 748 . 1 1 71 71 ILE H H 1 9.22 0.02 . 1 . . . . . . . . 4671 1 749 . 1 1 71 71 ILE HA H 1 3.95 0.02 . 1 . . . . . . . . 4671 1 750 . 1 1 71 71 ILE HB H 1 2.07 0.02 . 1 . . . . . . . . 4671 1 751 . 1 1 71 71 ILE HG12 H 1 1.58 0.02 . 2 . . . . . . . . 4671 1 752 . 1 1 71 71 ILE HG13 H 1 1.46 0.02 . 2 . . . . . . . . 4671 1 753 . 1 1 71 71 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 754 . 1 1 71 71 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 755 . 1 1 71 71 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 756 . 1 1 71 71 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4671 1 757 . 1 1 71 71 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4671 1 758 . 1 1 71 71 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4671 1 759 . 1 1 71 71 ILE C C 13 175.17 0.20 . 1 . . . . . . . . 4671 1 760 . 1 1 71 71 ILE CA C 13 62.30 0.20 . 1 . . . . . . . . 4671 1 761 . 1 1 71 71 ILE CB C 13 36.73 0.20 . 1 . . . . . . . . 4671 1 762 . 1 1 71 71 ILE CG1 C 13 27.59 0.20 . 1 . . . . . . . . 4671 1 763 . 1 1 71 71 ILE CG2 C 13 17.14 0.20 . 1 . . . . . . . . 4671 1 764 . 1 1 71 71 ILE CD1 C 13 11.75 0.20 . 1 . . . . . . . . 4671 1 765 . 1 1 71 71 ILE N N 15 126.68 0.20 . 1 . . . . . . . . 4671 1 766 . 1 1 72 72 ASP H H 1 9.02 0.02 . 1 . . . . . . . . 4671 1 767 . 1 1 72 72 ASP HA H 1 4.91 0.02 . 1 . . . . . . . . 4671 1 768 . 1 1 72 72 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4671 1 769 . 1 1 72 72 ASP HB3 H 1 2.34 0.02 . 2 . . . . . . . . 4671 1 770 . 1 1 72 72 ASP C C 13 176.23 0.20 . 1 . . . . . . . . 4671 1 771 . 1 1 72 72 ASP CA C 13 56.59 0.20 . 1 . . . . . . . . 4671 1 772 . 1 1 72 72 ASP CB C 13 42.83 0.20 . 1 . . . . . . . . 4671 1 773 . 1 1 72 72 ASP N N 15 130.80 0.20 . 1 . . . . . . . . 4671 1 774 . 1 1 73 73 SER H H 1 8.20 0.02 . 1 . . . . . . . . 4671 1 775 . 1 1 73 73 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 4671 1 776 . 1 1 73 73 SER HB2 H 1 3.81 0.02 . 2 . . . . . . . . 4671 1 777 . 1 1 73 73 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4671 1 778 . 1 1 73 73 SER C C 13 172.32 0.20 . 1 . . . . . . . . 4671 1 779 . 1 1 73 73 SER CA C 13 58.37 0.20 . 1 . . . . . . . . 4671 1 780 . 1 1 73 73 SER CB C 13 64.89 0.20 . 1 . . . . . . . . 4671 1 781 . 1 1 73 73 SER N N 15 112.57 0.20 . 1 . . . . . . . . 4671 1 782 . 1 1 74 74 ILE H H 1 8.53 0.02 . 1 . . . . . . . . 4671 1 783 . 1 1 74 74 ILE HA H 1 4.66 0.02 . 1 . . . . . . . . 4671 1 784 . 1 1 74 74 ILE HB H 1 1.96 0.02 . 1 . . . . . . . . 4671 1 785 . 1 1 74 74 ILE HG12 H 1 1.71 0.02 . 2 . . . . . . . . 4671 1 786 . 1 1 74 74 ILE HG13 H 1 1.22 0.02 . 2 . . . . . . . . 4671 1 787 . 1 1 74 74 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . 4671 1 788 . 1 1 74 74 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . 4671 1 789 . 1 1 74 74 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . 4671 1 790 . 1 1 74 74 ILE HD11 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 791 . 1 1 74 74 ILE HD12 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 792 . 1 1 74 74 ILE HD13 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 793 . 1 1 74 74 ILE C C 13 173.69 0.20 . 1 . . . . . . . . 4671 1 794 . 1 1 74 74 ILE CA C 13 62.18 0.20 . 1 . . . . . . . . 4671 1 795 . 1 1 74 74 ILE CB C 13 41.50 0.20 . 1 . . . . . . . . 4671 1 796 . 1 1 74 74 ILE CG1 C 13 28.51 0.20 . 1 . . . . . . . . 4671 1 797 . 1 1 74 74 ILE CG2 C 13 17.32 0.20 . 1 . . . . . . . . 4671 1 798 . 1 1 74 74 ILE CD1 C 13 14.37 0.20 . 1 . . . . . . . . 4671 1 799 . 1 1 74 74 ILE N N 15 122.06 0.20 . 1 . . . . . . . . 4671 1 800 . 1 1 75 75 ASP H H 1 9.06 0.02 . 1 . . . . . . . . 4671 1 801 . 1 1 75 75 ASP HA H 1 5.01 0.02 . 1 . . . . . . . . 4671 1 802 . 1 1 75 75 ASP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4671 1 803 . 1 1 75 75 ASP HB3 H 1 2.45 0.02 . 2 . . . . . . . . 4671 1 804 . 1 1 75 75 ASP C C 13 176.34 0.20 . 1 . . . . . . . . 4671 1 805 . 1 1 75 75 ASP CA C 13 52.28 0.20 . 1 . . . . . . . . 4671 1 806 . 1 1 75 75 ASP CB C 13 41.58 0.20 . 1 . . . . . . . . 4671 1 807 . 1 1 75 75 ASP N N 15 127.87 0.20 . 1 . . . . . . . . 4671 1 808 . 1 1 76 76 LYS H H 1 8.80 0.02 . 1 . . . . . . . . 4671 1 809 . 1 1 76 76 LYS HA H 1 3.82 0.02 . 1 . . . . . . . . 4671 1 810 . 1 1 76 76 LYS HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4671 1 811 . 1 1 76 76 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4671 1 812 . 1 1 76 76 LYS HG2 H 1 1.57 0.02 . 2 . . . . . . . . 4671 1 813 . 1 1 76 76 LYS HG3 H 1 1.51 0.02 . 2 . . . . . . . . 4671 1 814 . 1 1 76 76 LYS C C 13 176.69 0.20 . 1 . . . . . . . . 4671 1 815 . 1 1 76 76 LYS CA C 13 58.21 0.20 . 1 . . . . . . . . 4671 1 816 . 1 1 76 76 LYS CB C 13 32.57 0.20 . 1 . . . . . . . . 4671 1 817 . 1 1 76 76 LYS CG C 13 25.95 0.20 . 1 . . . . . . . . 4671 1 818 . 1 1 76 76 LYS N N 15 122.77 0.20 . 1 . . . . . . . . 4671 1 819 . 1 1 77 77 GLU H H 1 8.03 0.02 . 1 . . . . . . . . 4671 1 820 . 1 1 77 77 GLU HA H 1 3.86 0.02 . 1 . . . . . . . . 4671 1 821 . 1 1 77 77 GLU HB2 H 1 1.91 0.02 . 2 . . . . . . . . 4671 1 822 . 1 1 77 77 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4671 1 823 . 1 1 77 77 GLU HG2 H 1 2.15 0.02 . 1 . . . . . . . . 4671 1 824 . 1 1 77 77 GLU HG3 H 1 2.15 0.02 . 1 . . . . . . . . 4671 1 825 . 1 1 77 77 GLU C C 13 176.32 0.20 . 1 . . . . . . . . 4671 1 826 . 1 1 77 77 GLU CA C 13 57.94 0.20 . 1 . . . . . . . . 4671 1 827 . 1 1 77 77 GLU CB C 13 29.76 0.20 . 1 . . . . . . . . 4671 1 828 . 1 1 77 77 GLU CG C 13 36.68 0.20 . 1 . . . . . . . . 4671 1 829 . 1 1 77 77 GLU N N 15 117.34 0.20 . 1 . . . . . . . . 4671 1 830 . 1 1 78 78 ASN H H 1 7.26 0.02 . 1 . . . . . . . . 4671 1 831 . 1 1 78 78 ASN HA H 1 4.44 0.02 . 1 . . . . . . . . 4671 1 832 . 1 1 78 78 ASN HB2 H 1 2.63 0.02 . 2 . . . . . . . . 4671 1 833 . 1 1 78 78 ASN HB3 H 1 2.24 0.02 . 2 . . . . . . . . 4671 1 834 . 1 1 78 78 ASN HD21 H 1 8.44 0.02 . 2 . . . . . . . . 4671 1 835 . 1 1 78 78 ASN HD22 H 1 6.86 0.02 . 2 . . . . . . . . 4671 1 836 . 1 1 78 78 ASN C C 13 173.57 0.20 . 1 . . . . . . . . 4671 1 837 . 1 1 78 78 ASN CA C 13 51.83 0.20 . 1 . . . . . . . . 4671 1 838 . 1 1 78 78 ASN CB C 13 39.32 0.20 . 1 . . . . . . . . 4671 1 839 . 1 1 78 78 ASN N N 15 113.40 0.20 . 1 . . . . . . . . 4671 1 840 . 1 1 78 78 ASN ND2 N 15 117.23 0.20 . 1 . . . . . . . . 4671 1 841 . 1 1 79 79 TYR H H 1 6.68 0.02 . 1 . . . . . . . . 4671 1 842 . 1 1 79 79 TYR HA H 1 2.82 0.02 . 1 . . . . . . . . 4671 1 843 . 1 1 79 79 TYR HB2 H 1 3.54 0.02 . 2 . . . . . . . . 4671 1 844 . 1 1 79 79 TYR HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4671 1 845 . 1 1 79 79 TYR HD1 H 1 6.43 0.02 . 1 . . . . . . . . 4671 1 846 . 1 1 79 79 TYR HD2 H 1 6.43 0.02 . 1 . . . . . . . . 4671 1 847 . 1 1 79 79 TYR HE1 H 1 6.65 0.02 . 1 . . . . . . . . 4671 1 848 . 1 1 79 79 TYR HE2 H 1 6.65 0.02 . 1 . . . . . . . . 4671 1 849 . 1 1 79 79 TYR C C 13 173.38 0.20 . 1 . . . . . . . . 4671 1 850 . 1 1 79 79 TYR CA C 13 57.59 0.20 . 1 . . . . . . . . 4671 1 851 . 1 1 79 79 TYR CB C 13 35.39 0.20 . 1 . . . . . . . . 4671 1 852 . 1 1 79 79 TYR N N 15 116.50 0.20 . 1 . . . . . . . . 4671 1 853 . 1 1 80 80 SER H H 1 8.15 0.02 . 1 . . . . . . . . 4671 1 854 . 1 1 80 80 SER HA H 1 5.81 0.02 . 1 . . . . . . . . 4671 1 855 . 1 1 80 80 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 4671 1 856 . 1 1 80 80 SER HB3 H 1 3.78 0.02 . 2 . . . . . . . . 4671 1 857 . 1 1 80 80 SER C C 13 172.92 0.20 . 1 . . . . . . . . 4671 1 858 . 1 1 80 80 SER CA C 13 56.44 0.20 . 1 . . . . . . . . 4671 1 859 . 1 1 80 80 SER CB C 13 66.66 0.20 . 1 . . . . . . . . 4671 1 860 . 1 1 80 80 SER N N 15 112.06 0.20 . 1 . . . . . . . . 4671 1 861 . 1 1 81 81 TYR H H 1 9.19 0.02 . 1 . . . . . . . . 4671 1 862 . 1 1 81 81 TYR HA H 1 5.47 0.02 . 1 . . . . . . . . 4671 1 863 . 1 1 81 81 TYR HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4671 1 864 . 1 1 81 81 TYR HB3 H 1 2.91 0.02 . 2 . . . . . . . . 4671 1 865 . 1 1 81 81 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 4671 1 866 . 1 1 81 81 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 4671 1 867 . 1 1 81 81 TYR HE1 H 1 6.49 0.02 . 1 . . . . . . . . 4671 1 868 . 1 1 81 81 TYR HE2 H 1 6.49 0.02 . 1 . . . . . . . . 4671 1 869 . 1 1 81 81 TYR C C 13 173.69 0.20 . 1 . . . . . . . . 4671 1 870 . 1 1 81 81 TYR CA C 13 55.91 0.20 . 1 . . . . . . . . 4671 1 871 . 1 1 81 81 TYR CB C 13 43.01 0.20 . 1 . . . . . . . . 4671 1 872 . 1 1 81 81 TYR N N 15 125.08 0.20 . 1 . . . . . . . . 4671 1 873 . 1 1 82 82 SER H H 1 9.18 0.02 . 1 . . . . . . . . 4671 1 874 . 1 1 82 82 SER HA H 1 5.53 0.02 . 1 . . . . . . . . 4671 1 875 . 1 1 82 82 SER HB2 H 1 4.12 0.02 . 2 . . . . . . . . 4671 1 876 . 1 1 82 82 SER HB3 H 1 4.05 0.02 . 2 . . . . . . . . 4671 1 877 . 1 1 82 82 SER C C 13 172.92 0.20 . 1 . . . . . . . . 4671 1 878 . 1 1 82 82 SER CA C 13 56.68 0.20 . 1 . . . . . . . . 4671 1 879 . 1 1 82 82 SER CB C 13 65.69 0.20 . 1 . . . . . . . . 4671 1 880 . 1 1 82 82 SER N N 15 122.78 0.20 . 1 . . . . . . . . 4671 1 881 . 1 1 83 83 TYR H H 1 8.57 0.02 . 1 . . . . . . . . 4671 1 882 . 1 1 83 83 TYR HA H 1 5.33 0.02 . 1 . . . . . . . . 4671 1 883 . 1 1 83 83 TYR HB2 H 1 2.72 0.02 . 1 . . . . . . . . 4671 1 884 . 1 1 83 83 TYR HB3 H 1 2.72 0.02 . 1 . . . . . . . . 4671 1 885 . 1 1 83 83 TYR HD1 H 1 6.06 0.02 . 1 . . . . . . . . 4671 1 886 . 1 1 83 83 TYR HD2 H 1 6.06 0.02 . 1 . . . . . . . . 4671 1 887 . 1 1 83 83 TYR HE1 H 1 5.88 0.02 . 1 . . . . . . . . 4671 1 888 . 1 1 83 83 TYR HE2 H 1 5.88 0.02 . 1 . . . . . . . . 4671 1 889 . 1 1 83 83 TYR C C 13 172.19 0.20 . 1 . . . . . . . . 4671 1 890 . 1 1 83 83 TYR CA C 13 56.64 0.20 . 1 . . . . . . . . 4671 1 891 . 1 1 83 83 TYR CB C 13 40.66 0.20 . 1 . . . . . . . . 4671 1 892 . 1 1 83 83 TYR N N 15 122.13 0.20 . 1 . . . . . . . . 4671 1 893 . 1 1 84 84 THR H H 1 9.55 0.02 . 1 . . . . . . . . 4671 1 894 . 1 1 84 84 THR HA H 1 5.05 0.02 . 1 . . . . . . . . 4671 1 895 . 1 1 84 84 THR HB H 1 3.90 0.02 . 1 . . . . . . . . 4671 1 896 . 1 1 84 84 THR HG21 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 897 . 1 1 84 84 THR HG22 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 898 . 1 1 84 84 THR HG23 H 1 0.96 0.02 . 1 . . . . . . . . 4671 1 899 . 1 1 84 84 THR C C 13 173.48 0.20 . 1 . . . . . . . . 4671 1 900 . 1 1 84 84 THR CA C 13 61.84 0.20 . 1 . . . . . . . . 4671 1 901 . 1 1 84 84 THR CB C 13 71.95 0.20 . 1 . . . . . . . . 4671 1 902 . 1 1 84 84 THR CG2 C 13 22.72 0.20 . 1 . . . . . . . . 4671 1 903 . 1 1 84 84 THR N N 15 116.82 0.20 . 1 . . . . . . . . 4671 1 904 . 1 1 85 85 LEU H H 1 9.77 0.02 . 1 . . . . . . . . 4671 1 905 . 1 1 85 85 LEU HA H 1 5.14 0.02 . 1 . . . . . . . . 4671 1 906 . 1 1 85 85 LEU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4671 1 907 . 1 1 85 85 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4671 1 908 . 1 1 85 85 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4671 1 909 . 1 1 85 85 LEU HD11 H 1 1.28 0.02 . 2 . . . . . . . . 4671 1 910 . 1 1 85 85 LEU HD12 H 1 1.28 0.02 . 2 . . . . . . . . 4671 1 911 . 1 1 85 85 LEU HD13 H 1 1.28 0.02 . 2 . . . . . . . . 4671 1 912 . 1 1 85 85 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 913 . 1 1 85 85 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 914 . 1 1 85 85 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 915 . 1 1 85 85 LEU C C 13 175.25 0.20 . 1 . . . . . . . . 4671 1 916 . 1 1 85 85 LEU CA C 13 55.63 0.20 . 1 . . . . . . . . 4671 1 917 . 1 1 85 85 LEU CB C 13 43.41 0.20 . 1 . . . . . . . . 4671 1 918 . 1 1 85 85 LEU CG C 13 28.57 0.20 . 1 . . . . . . . . 4671 1 919 . 1 1 85 85 LEU CD1 C 13 26.33 0.20 . 2 . . . . . . . . 4671 1 920 . 1 1 85 85 LEU CD2 C 13 25.70 0.20 . 2 . . . . . . . . 4671 1 921 . 1 1 85 85 LEU N N 15 130.77 0.20 . 1 . . . . . . . . 4671 1 922 . 1 1 86 86 ILE H H 1 8.04 0.02 . 1 . . . . . . . . 4671 1 923 . 1 1 86 86 ILE HA H 1 4.75 0.02 . 1 . . . . . . . . 4671 1 924 . 1 1 86 86 ILE HB H 1 2.13 0.02 . 1 . . . . . . . . 4671 1 925 . 1 1 86 86 ILE HG12 H 1 1.38 0.02 . 2 . . . . . . . . 4671 1 926 . 1 1 86 86 ILE HG13 H 1 0.91 0.02 . 2 . . . . . . . . 4671 1 927 . 1 1 86 86 ILE HG21 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 928 . 1 1 86 86 ILE HG22 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 929 . 1 1 86 86 ILE HG23 H 1 0.95 0.02 . 1 . . . . . . . . 4671 1 930 . 1 1 86 86 ILE HD11 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 931 . 1 1 86 86 ILE HD12 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 932 . 1 1 86 86 ILE HD13 H 1 0.92 0.02 . 1 . . . . . . . . 4671 1 933 . 1 1 86 86 ILE C C 13 176.07 0.20 . 1 . . . . . . . . 4671 1 934 . 1 1 86 86 ILE CA C 13 61.30 0.20 . 1 . . . . . . . . 4671 1 935 . 1 1 86 86 ILE CB C 13 39.72 0.20 . 1 . . . . . . . . 4671 1 936 . 1 1 86 86 ILE CG1 C 13 26.33 0.20 . 1 . . . . . . . . 4671 1 937 . 1 1 86 86 ILE CG2 C 13 18.90 0.20 . 1 . . . . . . . . 4671 1 938 . 1 1 86 86 ILE CD1 C 13 14.19 0.20 . 1 . . . . . . . . 4671 1 939 . 1 1 86 86 ILE N N 15 117.61 0.20 . 1 . . . . . . . . 4671 1 940 . 1 1 87 87 GLU H H 1 7.57 0.02 . 1 . . . . . . . . 4671 1 941 . 1 1 87 87 GLU HA H 1 4.47 0.02 . 1 . . . . . . . . 4671 1 942 . 1 1 87 87 GLU HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4671 1 943 . 1 1 87 87 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4671 1 944 . 1 1 87 87 GLU HG2 H 1 2.47 0.02 . 2 . . . . . . . . 4671 1 945 . 1 1 87 87 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4671 1 946 . 1 1 87 87 GLU C C 13 173.87 0.20 . 1 . . . . . . . . 4671 1 947 . 1 1 87 87 GLU CA C 13 56.92 0.20 . 1 . . . . . . . . 4671 1 948 . 1 1 87 87 GLU CB C 13 34.94 0.20 . 1 . . . . . . . . 4671 1 949 . 1 1 87 87 GLU CG C 13 37.08 0.20 . 1 . . . . . . . . 4671 1 950 . 1 1 87 87 GLU N N 15 121.41 0.20 . 1 . . . . . . . . 4671 1 951 . 1 1 88 88 GLY H H 1 8.77 0.02 . 1 . . . . . . . . 4671 1 952 . 1 1 88 88 GLY HA2 H 1 4.56 0.02 . 2 . . . . . . . . 4671 1 953 . 1 1 88 88 GLY HA3 H 1 3.69 0.02 . 2 . . . . . . . . 4671 1 954 . 1 1 88 88 GLY C C 13 174.08 0.20 . 1 . . . . . . . . 4671 1 955 . 1 1 88 88 GLY CA C 13 45.00 0.20 . 1 . . . . . . . . 4671 1 956 . 1 1 88 88 GLY N N 15 111.78 0.20 . 1 . . . . . . . . 4671 1 957 . 1 1 89 89 ASP H H 1 8.56 0.02 . 1 . . . . . . . . 4671 1 958 . 1 1 89 89 ASP HA H 1 4.34 0.02 . 1 . . . . . . . . 4671 1 959 . 1 1 89 89 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4671 1 960 . 1 1 89 89 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4671 1 961 . 1 1 89 89 ASP C C 13 178.03 0.20 . 1 . . . . . . . . 4671 1 962 . 1 1 89 89 ASP CA C 13 57.28 0.20 . 1 . . . . . . . . 4671 1 963 . 1 1 89 89 ASP CB C 13 41.17 0.20 . 1 . . . . . . . . 4671 1 964 . 1 1 89 89 ASP N N 15 121.02 0.20 . 1 . . . . . . . . 4671 1 965 . 1 1 90 90 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 4671 1 966 . 1 1 90 90 ALA HA H 1 4.02 0.02 . 1 . . . . . . . . 4671 1 967 . 1 1 90 90 ALA HB1 H 1 1.24 0.02 . 1 . . . . . . . . 4671 1 968 . 1 1 90 90 ALA HB2 H 1 1.24 0.02 . 1 . . . . . . . . 4671 1 969 . 1 1 90 90 ALA HB3 H 1 1.24 0.02 . 1 . . . . . . . . 4671 1 970 . 1 1 90 90 ALA C C 13 178.20 0.20 . 1 . . . . . . . . 4671 1 971 . 1 1 90 90 ALA CA C 13 53.87 0.20 . 1 . . . . . . . . 4671 1 972 . 1 1 90 90 ALA CB C 13 19.08 0.20 . 1 . . . . . . . . 4671 1 973 . 1 1 90 90 ALA N N 15 120.02 0.20 . 1 . . . . . . . . 4671 1 974 . 1 1 91 91 LEU H H 1 7.54 0.02 . 1 . . . . . . . . 4671 1 975 . 1 1 91 91 LEU HA H 1 4.24 0.02 . 1 . . . . . . . . 4671 1 976 . 1 1 91 91 LEU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4671 1 977 . 1 1 91 91 LEU HB3 H 1 1.74 0.02 . 2 . . . . . . . . 4671 1 978 . 1 1 91 91 LEU HG H 1 1.43 0.02 . 1 . . . . . . . . 4671 1 979 . 1 1 91 91 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 980 . 1 1 91 91 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 981 . 1 1 91 91 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 4671 1 982 . 1 1 91 91 LEU HD21 H 1 0.60 0.02 . 2 . . . . . . . . 4671 1 983 . 1 1 91 91 LEU HD22 H 1 0.60 0.02 . 2 . . . . . . . . 4671 1 984 . 1 1 91 91 LEU HD23 H 1 0.60 0.02 . 2 . . . . . . . . 4671 1 985 . 1 1 91 91 LEU C C 13 177.66 0.20 . 1 . . . . . . . . 4671 1 986 . 1 1 91 91 LEU CA C 13 55.79 0.20 . 1 . . . . . . . . 4671 1 987 . 1 1 91 91 LEU CB C 13 40.24 0.20 . 1 . . . . . . . . 4671 1 988 . 1 1 91 91 LEU CG C 13 27.20 0.20 . 1 . . . . . . . . 4671 1 989 . 1 1 91 91 LEU CD1 C 13 25.12 0.20 . 2 . . . . . . . . 4671 1 990 . 1 1 91 91 LEU CD2 C 13 23.00 0.20 . 2 . . . . . . . . 4671 1 991 . 1 1 91 91 LEU N N 15 114.70 0.20 . 1 . . . . . . . . 4671 1 992 . 1 1 92 92 GLY H H 1 7.59 0.02 . 1 . . . . . . . . 4671 1 993 . 1 1 92 92 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 4671 1 994 . 1 1 92 92 GLY HA3 H 1 3.96 0.02 . 1 . . . . . . . . 4671 1 995 . 1 1 92 92 GLY CA C 13 46.34 0.20 . 1 . . . . . . . . 4671 1 996 . 1 1 92 92 GLY N N 15 105.15 0.20 . 1 . . . . . . . . 4671 1 997 . 1 1 93 93 ASP H H 1 8.79 0.02 . 1 . . . . . . . . 4671 1 998 . 1 1 93 93 ASP HA H 1 4.84 0.02 . 1 . . . . . . . . 4671 1 999 . 1 1 93 93 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . 4671 1 1000 . 1 1 93 93 ASP HB3 H 1 2.73 0.02 . 1 . . . . . . . . 4671 1 1001 . 1 1 93 93 ASP C C 13 177.43 0.20 . 1 . . . . . . . . 4671 1 1002 . 1 1 93 93 ASP CA C 13 54.22 0.20 . 1 . . . . . . . . 4671 1 1003 . 1 1 93 93 ASP CB C 13 41.43 0.20 . 1 . . . . . . . . 4671 1 1004 . 1 1 93 93 ASP N N 15 121.92 0.20 . 1 . . . . . . . . 4671 1 1005 . 1 1 94 94 THR H H 1 7.90 0.02 . 1 . . . . . . . . 4671 1 1006 . 1 1 94 94 THR HA H 1 4.54 0.02 . 1 . . . . . . . . 4671 1 1007 . 1 1 94 94 THR HB H 1 4.38 0.02 . 1 . . . . . . . . 4671 1 1008 . 1 1 94 94 THR HG21 H 1 1.23 0.02 . 1 . . . . . . . . 4671 1 1009 . 1 1 94 94 THR HG22 H 1 1.23 0.02 . 1 . . . . . . . . 4671 1 1010 . 1 1 94 94 THR HG23 H 1 1.23 0.02 . 1 . . . . . . . . 4671 1 1011 . 1 1 94 94 THR C C 13 174.18 0.20 . 1 . . . . . . . . 4671 1 1012 . 1 1 94 94 THR CA C 13 62.31 0.20 . 1 . . . . . . . . 4671 1 1013 . 1 1 94 94 THR CB C 13 70.46 0.20 . 1 . . . . . . . . 4671 1 1014 . 1 1 94 94 THR CG2 C 13 22.16 0.20 . 1 . . . . . . . . 4671 1 1015 . 1 1 94 94 THR N N 15 107.22 0.20 . 1 . . . . . . . . 4671 1 1016 . 1 1 95 95 LEU H H 1 7.63 0.02 . 1 . . . . . . . . 4671 1 1017 . 1 1 95 95 LEU HA H 1 5.04 0.02 . 1 . . . . . . . . 4671 1 1018 . 1 1 95 95 LEU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4671 1 1019 . 1 1 95 95 LEU HB3 H 1 1.24 0.02 . 2 . . . . . . . . 4671 1 1020 . 1 1 95 95 LEU HG H 1 1.75 0.02 . 1 . . . . . . . . 4671 1 1021 . 1 1 95 95 LEU HD11 H 1 1.03 0.02 . 2 . . . . . . . . 4671 1 1022 . 1 1 95 95 LEU HD12 H 1 1.03 0.02 . 2 . . . . . . . . 4671 1 1023 . 1 1 95 95 LEU HD13 H 1 1.03 0.02 . 2 . . . . . . . . 4671 1 1024 . 1 1 95 95 LEU HD21 H 1 0.92 0.02 . 2 . . . . . . . . 4671 1 1025 . 1 1 95 95 LEU HD22 H 1 0.92 0.02 . 2 . . . . . . . . 4671 1 1026 . 1 1 95 95 LEU HD23 H 1 0.92 0.02 . 2 . . . . . . . . 4671 1 1027 . 1 1 95 95 LEU C C 13 175.67 0.20 . 1 . . . . . . . . 4671 1 1028 . 1 1 95 95 LEU CA C 13 53.85 0.20 . 1 . . . . . . . . 4671 1 1029 . 1 1 95 95 LEU CB C 13 44.27 0.20 . 1 . . . . . . . . 4671 1 1030 . 1 1 95 95 LEU CG C 13 26.36 0.20 . 1 . . . . . . . . 4671 1 1031 . 1 1 95 95 LEU CD1 C 13 26.35 0.20 . 2 . . . . . . . . 4671 1 1032 . 1 1 95 95 LEU CD2 C 13 24.72 0.20 . 2 . . . . . . . . 4671 1 1033 . 1 1 95 95 LEU N N 15 120.43 0.20 . 1 . . . . . . . . 4671 1 1034 . 1 1 96 96 GLU H H 1 9.14 0.02 . 1 . . . . . . . . 4671 1 1035 . 1 1 96 96 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4671 1 1036 . 1 1 96 96 GLU HB2 H 1 2.04 0.02 . 2 . . . . . . . . 4671 1 1037 . 1 1 96 96 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 4671 1 1038 . 1 1 96 96 GLU HG2 H 1 2.20 0.02 . 1 . . . . . . . . 4671 1 1039 . 1 1 96 96 GLU HG3 H 1 2.20 0.02 . 1 . . . . . . . . 4671 1 1040 . 1 1 96 96 GLU C C 13 175.83 0.20 . 1 . . . . . . . . 4671 1 1041 . 1 1 96 96 GLU CA C 13 57.79 0.20 . 1 . . . . . . . . 4671 1 1042 . 1 1 96 96 GLU CB C 13 31.65 0.20 . 1 . . . . . . . . 4671 1 1043 . 1 1 96 96 GLU CG C 13 36.29 0.20 . 1 . . . . . . . . 4671 1 1044 . 1 1 96 96 GLU N N 15 122.88 0.20 . 1 . . . . . . . . 4671 1 1045 . 1 1 97 97 LYS H H 1 7.54 0.02 . 1 . . . . . . . . 4671 1 1046 . 1 1 97 97 LYS HA H 1 4.73 0.02 . 1 . . . . . . . . 4671 1 1047 . 1 1 97 97 LYS HB2 H 1 2.18 0.02 . 2 . . . . . . . . 4671 1 1048 . 1 1 97 97 LYS HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4671 1 1049 . 1 1 97 97 LYS HG2 H 1 1.53 0.02 . 1 . . . . . . . . 4671 1 1050 . 1 1 97 97 LYS HG3 H 1 1.53 0.02 . 1 . . . . . . . . 4671 1 1051 . 1 1 97 97 LYS C C 13 174.01 0.20 . 1 . . . . . . . . 4671 1 1052 . 1 1 97 97 LYS CA C 13 55.62 0.20 . 1 . . . . . . . . 4671 1 1053 . 1 1 97 97 LYS CB C 13 33.48 0.20 . 1 . . . . . . . . 4671 1 1054 . 1 1 97 97 LYS CG C 13 22.95 0.20 . 1 . . . . . . . . 4671 1 1055 . 1 1 97 97 LYS N N 15 108.65 0.20 . 1 . . . . . . . . 4671 1 1056 . 1 1 98 98 ILE H H 1 7.43 0.02 . 1 . . . . . . . . 4671 1 1057 . 1 1 98 98 ILE HA H 1 4.84 0.02 . 1 . . . . . . . . 4671 1 1058 . 1 1 98 98 ILE HB H 1 1.36 0.02 . 1 . . . . . . . . 4671 1 1059 . 1 1 98 98 ILE HG12 H 1 1.36 0.02 . 2 . . . . . . . . 4671 1 1060 . 1 1 98 98 ILE HG13 H 1 0.45 0.02 . 2 . . . . . . . . 4671 1 1061 . 1 1 98 98 ILE HG21 H 1 -0.31 0.02 . 1 . . . . . . . . 4671 1 1062 . 1 1 98 98 ILE HG22 H 1 -0.31 0.02 . 1 . . . . . . . . 4671 1 1063 . 1 1 98 98 ILE HG23 H 1 -0.31 0.02 . 1 . . . . . . . . 4671 1 1064 . 1 1 98 98 ILE HD11 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 1065 . 1 1 98 98 ILE HD12 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 1066 . 1 1 98 98 ILE HD13 H 1 0.66 0.02 . 1 . . . . . . . . 4671 1 1067 . 1 1 98 98 ILE C C 13 174.67 0.20 . 1 . . . . . . . . 4671 1 1068 . 1 1 98 98 ILE CA C 13 60.76 0.20 . 1 . . . . . . . . 4671 1 1069 . 1 1 98 98 ILE CB C 13 41.72 0.20 . 1 . . . . . . . . 4671 1 1070 . 1 1 98 98 ILE CG1 C 13 27.19 0.20 . 1 . . . . . . . . 4671 1 1071 . 1 1 98 98 ILE CG2 C 13 16.36 0.20 . 1 . . . . . . . . 4671 1 1072 . 1 1 98 98 ILE CD1 C 13 14.22 0.20 . 1 . . . . . . . . 4671 1 1073 . 1 1 98 98 ILE N N 15 118.03 0.20 . 1 . . . . . . . . 4671 1 1074 . 1 1 99 99 SER H H 1 9.10 0.02 . 1 . . . . . . . . 4671 1 1075 . 1 1 99 99 SER HA H 1 5.01 0.02 . 1 . . . . . . . . 4671 1 1076 . 1 1 99 99 SER HB2 H 1 3.93 0.02 . 2 . . . . . . . . 4671 1 1077 . 1 1 99 99 SER HB3 H 1 3.71 0.02 . 2 . . . . . . . . 4671 1 1078 . 1 1 99 99 SER C C 13 171.82 0.20 . 1 . . . . . . . . 4671 1 1079 . 1 1 99 99 SER CA C 13 57.65 0.20 . 1 . . . . . . . . 4671 1 1080 . 1 1 99 99 SER CB C 13 65.38 0.20 . 1 . . . . . . . . 4671 1 1081 . 1 1 99 99 SER N N 15 123.16 0.20 . 1 . . . . . . . . 4671 1 1082 . 1 1 100 100 TYR H H 1 9.14 0.02 . 1 . . . . . . . . 4671 1 1083 . 1 1 100 100 TYR HA H 1 5.21 0.02 . 1 . . . . . . . . 4671 1 1084 . 1 1 100 100 TYR HB2 H 1 2.53 0.02 . 2 . . . . . . . . 4671 1 1085 . 1 1 100 100 TYR HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4671 1 1086 . 1 1 100 100 TYR HD1 H 1 6.52 0.02 . 1 . . . . . . . . 4671 1 1087 . 1 1 100 100 TYR HD2 H 1 6.52 0.02 . 1 . . . . . . . . 4671 1 1088 . 1 1 100 100 TYR HE1 H 1 6.49 0.02 . 1 . . . . . . . . 4671 1 1089 . 1 1 100 100 TYR HE2 H 1 6.49 0.02 . 1 . . . . . . . . 4671 1 1090 . 1 1 100 100 TYR C C 13 176.33 0.20 . 1 . . . . . . . . 4671 1 1091 . 1 1 100 100 TYR CA C 13 56.89 0.20 . 1 . . . . . . . . 4671 1 1092 . 1 1 100 100 TYR CB C 13 41.31 0.20 . 1 . . . . . . . . 4671 1 1093 . 1 1 100 100 TYR N N 15 122.36 0.20 . 1 . . . . . . . . 4671 1 1094 . 1 1 101 101 GLU H H 1 8.92 0.02 . 1 . . . . . . . . 4671 1 1095 . 1 1 101 101 GLU HA H 1 5.00 0.02 . 1 . . . . . . . . 4671 1 1096 . 1 1 101 101 GLU HB2 H 1 2.05 0.02 . 2 . . . . . . . . 4671 1 1097 . 1 1 101 101 GLU HB3 H 1 2.00 0.02 . 2 . . . . . . . . 4671 1 1098 . 1 1 101 101 GLU HG2 H 1 2.13 0.02 . 1 . . . . . . . . 4671 1 1099 . 1 1 101 101 GLU HG3 H 1 2.13 0.02 . 1 . . . . . . . . 4671 1 1100 . 1 1 101 101 GLU CA C 13 55.67 0.20 . 1 . . . . . . . . 4671 1 1101 . 1 1 101 101 GLU CB C 13 33.12 0.20 . 1 . . . . . . . . 4671 1 1102 . 1 1 101 101 GLU CG C 13 36.54 0.20 . 1 . . . . . . . . 4671 1 1103 . 1 1 101 101 GLU N N 15 121.57 0.20 . 1 . . . . . . . . 4671 1 1104 . 1 1 102 102 THR H H 1 9.17 0.02 . 1 . . . . . . . . 4671 1 1105 . 1 1 102 102 THR HA H 1 5.49 0.02 . 1 . . . . . . . . 4671 1 1106 . 1 1 102 102 THR HB H 1 4.17 0.02 . 1 . . . . . . . . 4671 1 1107 . 1 1 102 102 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1108 . 1 1 102 102 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1109 . 1 1 102 102 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1110 . 1 1 102 102 THR C C 13 172.73 0.20 . 1 . . . . . . . . 4671 1 1111 . 1 1 102 102 THR CA C 13 61.98 0.20 . 1 . . . . . . . . 4671 1 1112 . 1 1 102 102 THR CB C 13 71.78 0.20 . 1 . . . . . . . . 4671 1 1113 . 1 1 102 102 THR CG2 C 13 22.24 0.20 . 1 . . . . . . . . 4671 1 1114 . 1 1 102 102 THR N N 15 122.66 0.20 . 1 . . . . . . . . 4671 1 1115 . 1 1 103 103 LYS H H 1 9.06 0.02 . 1 . . . . . . . . 4671 1 1116 . 1 1 103 103 LYS HA H 1 5.34 0.02 . 1 . . . . . . . . 4671 1 1117 . 1 1 103 103 LYS HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4671 1 1118 . 1 1 103 103 LYS HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4671 1 1119 . 1 1 103 103 LYS HG2 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1120 . 1 1 103 103 LYS HG3 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1121 . 1 1 103 103 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4671 1 1122 . 1 1 103 103 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4671 1 1123 . 1 1 103 103 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4671 1 1124 . 1 1 103 103 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4671 1 1125 . 1 1 103 103 LYS C C 13 174.32 0.20 . 1 . . . . . . . . 4671 1 1126 . 1 1 103 103 LYS CA C 13 55.19 0.20 . 1 . . . . . . . . 4671 1 1127 . 1 1 103 103 LYS CB C 13 36.30 0.20 . 1 . . . . . . . . 4671 1 1128 . 1 1 103 103 LYS CG C 13 24.94 0.20 . 1 . . . . . . . . 4671 1 1129 . 1 1 103 103 LYS CD C 13 28.98 0.20 . 1 . . . . . . . . 4671 1 1130 . 1 1 103 103 LYS CE C 13 42.10 0.20 . 1 . . . . . . . . 4671 1 1131 . 1 1 103 103 LYS N N 15 126.84 0.20 . 1 . . . . . . . . 4671 1 1132 . 1 1 104 104 LEU H H 1 8.44 0.02 . 1 . . . . . . . . 4671 1 1133 . 1 1 104 104 LEU HA H 1 5.36 0.02 . 1 . . . . . . . . 4671 1 1134 . 1 1 104 104 LEU HB2 H 1 2.07 0.02 . 2 . . . . . . . . 4671 1 1135 . 1 1 104 104 LEU HB3 H 1 1.26 0.02 . 2 . . . . . . . . 4671 1 1136 . 1 1 104 104 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 4671 1 1137 . 1 1 104 104 LEU HD11 H 1 0.90 0.02 . 2 . . . . . . . . 4671 1 1138 . 1 1 104 104 LEU HD12 H 1 0.90 0.02 . 2 . . . . . . . . 4671 1 1139 . 1 1 104 104 LEU HD13 H 1 0.90 0.02 . 2 . . . . . . . . 4671 1 1140 . 1 1 104 104 LEU HD21 H 1 1.09 0.02 . 2 . . . . . . . . 4671 1 1141 . 1 1 104 104 LEU HD22 H 1 1.09 0.02 . 2 . . . . . . . . 4671 1 1142 . 1 1 104 104 LEU HD23 H 1 1.09 0.02 . 2 . . . . . . . . 4671 1 1143 . 1 1 104 104 LEU C C 13 175.56 0.20 . 1 . . . . . . . . 4671 1 1144 . 1 1 104 104 LEU CA C 13 54.07 0.20 . 1 . . . . . . . . 4671 1 1145 . 1 1 104 104 LEU CB C 13 43.25 0.20 . 1 . . . . . . . . 4671 1 1146 . 1 1 104 104 LEU CG C 13 28.53 0.20 . 1 . . . . . . . . 4671 1 1147 . 1 1 104 104 LEU CD1 C 13 26.68 0.20 . 2 . . . . . . . . 4671 1 1148 . 1 1 104 104 LEU CD2 C 13 26.44 0.20 . 2 . . . . . . . . 4671 1 1149 . 1 1 104 104 LEU N N 15 123.69 0.20 . 1 . . . . . . . . 4671 1 1150 . 1 1 105 105 VAL H H 1 8.88 0.02 . 1 . . . . . . . . 4671 1 1151 . 1 1 105 105 VAL HA H 1 4.39 0.02 . 1 . . . . . . . . 4671 1 1152 . 1 1 105 105 VAL HB H 1 2.06 0.02 . 1 . . . . . . . . 4671 1 1153 . 1 1 105 105 VAL HG11 H 1 0.96 0.02 . 2 . . . . . . . . 4671 1 1154 . 1 1 105 105 VAL HG12 H 1 0.96 0.02 . 2 . . . . . . . . 4671 1 1155 . 1 1 105 105 VAL HG13 H 1 0.96 0.02 . 2 . . . . . . . . 4671 1 1156 . 1 1 105 105 VAL HG21 H 1 0.87 0.02 . 2 . . . . . . . . 4671 1 1157 . 1 1 105 105 VAL HG22 H 1 0.87 0.02 . 2 . . . . . . . . 4671 1 1158 . 1 1 105 105 VAL HG23 H 1 0.87 0.02 . 2 . . . . . . . . 4671 1 1159 . 1 1 105 105 VAL C C 13 175.05 0.20 . 1 . . . . . . . . 4671 1 1160 . 1 1 105 105 VAL CA C 13 60.01 0.20 . 1 . . . . . . . . 4671 1 1161 . 1 1 105 105 VAL CB C 13 35.23 0.20 . 1 . . . . . . . . 4671 1 1162 . 1 1 105 105 VAL CG1 C 13 21.11 0.20 . 2 . . . . . . . . 4671 1 1163 . 1 1 105 105 VAL CG2 C 13 20.67 0.20 . 2 . . . . . . . . 4671 1 1164 . 1 1 105 105 VAL N N 15 119.98 0.20 . 1 . . . . . . . . 4671 1 1165 . 1 1 106 106 ALA H H 1 8.74 0.02 . 1 . . . . . . . . 4671 1 1166 . 1 1 106 106 ALA HA H 1 4.44 0.02 . 1 . . . . . . . . 4671 1 1167 . 1 1 106 106 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1168 . 1 1 106 106 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1169 . 1 1 106 106 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1170 . 1 1 106 106 ALA C C 13 177.43 0.20 . 1 . . . . . . . . 4671 1 1171 . 1 1 106 106 ALA CA C 13 52.85 0.20 . 1 . . . . . . . . 4671 1 1172 . 1 1 106 106 ALA CB C 13 18.55 0.20 . 1 . . . . . . . . 4671 1 1173 . 1 1 106 106 ALA N N 15 127.71 0.20 . 1 . . . . . . . . 4671 1 1174 . 1 1 107 107 SER H H 1 8.16 0.02 . 1 . . . . . . . . 4671 1 1175 . 1 1 107 107 SER HA H 1 4.85 0.02 . 1 . . . . . . . . 4671 1 1176 . 1 1 107 107 SER HB2 H 1 4.18 0.02 . 2 . . . . . . . . 4671 1 1177 . 1 1 107 107 SER HB3 H 1 3.46 0.02 . 2 . . . . . . . . 4671 1 1178 . 1 1 107 107 SER CA C 13 54.54 0.20 . 1 . . . . . . . . 4671 1 1179 . 1 1 107 107 SER CB C 13 64.22 0.20 . 1 . . . . . . . . 4671 1 1180 . 1 1 107 107 SER N N 15 119.83 0.20 . 1 . . . . . . . . 4671 1 1181 . 1 1 108 108 PRO HD2 H 1 3.88 0.02 . 2 . . . . . . . . 4671 1 1182 . 1 1 108 108 PRO CD C 13 51.02 0.20 . 1 . . . . . . . . 4671 1 1183 . 1 1 109 109 SER HA H 1 4.48 0.02 . 1 . . . . . . . . 4671 1 1184 . 1 1 109 109 SER HB2 H 1 4.10 0.02 . 2 . . . . . . . . 4671 1 1185 . 1 1 109 109 SER HB3 H 1 3.75 0.02 . 2 . . . . . . . . 4671 1 1186 . 1 1 109 109 SER C C 13 174.88 0.20 . 1 . . . . . . . . 4671 1 1187 . 1 1 109 109 SER CA C 13 58.06 0.20 . 1 . . . . . . . . 4671 1 1188 . 1 1 109 109 SER CB C 13 63.40 0.20 . 1 . . . . . . . . 4671 1 1189 . 1 1 110 110 GLY H H 1 7.82 0.02 . 1 . . . . . . . . 4671 1 1190 . 1 1 110 110 GLY HA2 H 1 4.41 0.02 . 2 . . . . . . . . 4671 1 1191 . 1 1 110 110 GLY HA3 H 1 3.78 0.02 . 2 . . . . . . . . 4671 1 1192 . 1 1 110 110 GLY C C 13 174.08 0.20 . 1 . . . . . . . . 4671 1 1193 . 1 1 110 110 GLY CA C 13 45.34 0.20 . 1 . . . . . . . . 4671 1 1194 . 1 1 110 110 GLY N N 15 110.02 0.20 . 1 . . . . . . . . 4671 1 1195 . 1 1 111 111 GLY H H 1 7.35 0.02 . 1 . . . . . . . . 4671 1 1196 . 1 1 111 111 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4671 1 1197 . 1 1 111 111 GLY HA3 H 1 3.77 0.02 . 2 . . . . . . . . 4671 1 1198 . 1 1 111 111 GLY C C 13 174.68 0.20 . 1 . . . . . . . . 4671 1 1199 . 1 1 111 111 GLY CA C 13 43.93 0.20 . 1 . . . . . . . . 4671 1 1200 . 1 1 111 111 GLY N N 15 108.32 0.20 . 1 . . . . . . . . 4671 1 1201 . 1 1 112 112 SER H H 1 8.71 0.02 . 1 . . . . . . . . 4671 1 1202 . 1 1 112 112 SER HA H 1 5.41 0.02 . 1 . . . . . . . . 4671 1 1203 . 1 1 112 112 SER HB2 H 1 3.34 0.02 . 1 . . . . . . . . 4671 1 1204 . 1 1 112 112 SER HB3 H 1 3.34 0.02 . 1 . . . . . . . . 4671 1 1205 . 1 1 112 112 SER HG H 1 5.72 0.02 . 1 . . . . . . . . 4671 1 1206 . 1 1 112 112 SER C C 13 173.39 0.20 . 1 . . . . . . . . 4671 1 1207 . 1 1 112 112 SER CA C 13 59.02 0.20 . 1 . . . . . . . . 4671 1 1208 . 1 1 112 112 SER CB C 13 67.29 0.20 . 1 . . . . . . . . 4671 1 1209 . 1 1 112 112 SER N N 15 119.15 0.20 . 1 . . . . . . . . 4671 1 1210 . 1 1 113 113 ILE H H 1 9.51 0.02 . 1 . . . . . . . . 4671 1 1211 . 1 1 113 113 ILE HA H 1 4.30 0.02 . 1 . . . . . . . . 4671 1 1212 . 1 1 113 113 ILE HB H 1 1.63 0.02 . 1 . . . . . . . . 4671 1 1213 . 1 1 113 113 ILE HG12 H 1 1.33 0.02 . 2 . . . . . . . . 4671 1 1214 . 1 1 113 113 ILE HG13 H 1 1.00 0.02 . 2 . . . . . . . . 4671 1 1215 . 1 1 113 113 ILE HG21 H 1 0.73 0.02 . 1 . . . . . . . . 4671 1 1216 . 1 1 113 113 ILE HG22 H 1 0.73 0.02 . 1 . . . . . . . . 4671 1 1217 . 1 1 113 113 ILE HG23 H 1 0.73 0.02 . 1 . . . . . . . . 4671 1 1218 . 1 1 113 113 ILE HD11 H 1 0.78 0.02 . 1 . . . . . . . . 4671 1 1219 . 1 1 113 113 ILE HD12 H 1 0.78 0.02 . 1 . . . . . . . . 4671 1 1220 . 1 1 113 113 ILE HD13 H 1 0.78 0.02 . 1 . . . . . . . . 4671 1 1221 . 1 1 113 113 ILE C C 13 174.81 0.20 . 1 . . . . . . . . 4671 1 1222 . 1 1 113 113 ILE CA C 13 61.18 0.20 . 1 . . . . . . . . 4671 1 1223 . 1 1 113 113 ILE CB C 13 39.00 0.20 . 1 . . . . . . . . 4671 1 1224 . 1 1 113 113 ILE CG1 C 13 27.67 0.20 . 1 . . . . . . . . 4671 1 1225 . 1 1 113 113 ILE CG2 C 13 17.64 0.20 . 1 . . . . . . . . 4671 1 1226 . 1 1 113 113 ILE CD1 C 13 13.30 0.20 . 1 . . . . . . . . 4671 1 1227 . 1 1 113 113 ILE N N 15 125.57 0.20 . 1 . . . . . . . . 4671 1 1228 . 1 1 114 114 ILE H H 1 9.05 0.02 . 1 . . . . . . . . 4671 1 1229 . 1 1 114 114 ILE HA H 1 4.36 0.02 . 1 . . . . . . . . 4671 1 1230 . 1 1 114 114 ILE HB H 1 1.17 0.02 . 1 . . . . . . . . 4671 1 1231 . 1 1 114 114 ILE HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4671 1 1232 . 1 1 114 114 ILE HG13 H 1 0.45 0.02 . 2 . . . . . . . . 4671 1 1233 . 1 1 114 114 ILE HG21 H 1 0.38 0.02 . 1 . . . . . . . . 4671 1 1234 . 1 1 114 114 ILE HG22 H 1 0.38 0.02 . 1 . . . . . . . . 4671 1 1235 . 1 1 114 114 ILE HG23 H 1 0.38 0.02 . 1 . . . . . . . . 4671 1 1236 . 1 1 114 114 ILE HD11 H 1 0.06 0.02 . 1 . . . . . . . . 4671 1 1237 . 1 1 114 114 ILE HD12 H 1 0.06 0.02 . 1 . . . . . . . . 4671 1 1238 . 1 1 114 114 ILE HD13 H 1 0.06 0.02 . 1 . . . . . . . . 4671 1 1239 . 1 1 114 114 ILE C C 13 174.81 0.20 . 1 . . . . . . . . 4671 1 1240 . 1 1 114 114 ILE CA C 13 61.13 0.20 . 1 . . . . . . . . 4671 1 1241 . 1 1 114 114 ILE CB C 13 38.55 0.20 . 1 . . . . . . . . 4671 1 1242 . 1 1 114 114 ILE CG1 C 13 28.37 0.20 . 1 . . . . . . . . 4671 1 1243 . 1 1 114 114 ILE CG2 C 13 19.19 0.20 . 1 . . . . . . . . 4671 1 1244 . 1 1 114 114 ILE CD1 C 13 15.14 0.20 . 1 . . . . . . . . 4671 1 1245 . 1 1 114 114 ILE N N 15 127.95 0.20 . 1 . . . . . . . . 4671 1 1246 . 1 1 115 115 LYS H H 1 9.01 0.02 . 1 . . . . . . . . 4671 1 1247 . 1 1 115 115 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4671 1 1248 . 1 1 115 115 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4671 1 1249 . 1 1 115 115 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4671 1 1250 . 1 1 115 115 LYS HG2 H 1 1.36 0.02 . 1 . . . . . . . . 4671 1 1251 . 1 1 115 115 LYS HG3 H 1 1.36 0.02 . 1 . . . . . . . . 4671 1 1252 . 1 1 115 115 LYS C C 13 175.88 0.20 . 1 . . . . . . . . 4671 1 1253 . 1 1 115 115 LYS CA C 13 55.19 0.20 . 1 . . . . . . . . 4671 1 1254 . 1 1 115 115 LYS CB C 13 33.15 0.20 . 1 . . . . . . . . 4671 1 1255 . 1 1 115 115 LYS CG C 13 24.99 0.20 . 1 . . . . . . . . 4671 1 1256 . 1 1 115 115 LYS N N 15 127.21 0.20 . 1 . . . . . . . . 4671 1 1257 . 1 1 116 116 SER H H 1 8.75 0.02 . 1 . . . . . . . . 4671 1 1258 . 1 1 116 116 SER HA H 1 5.55 0.02 . 1 . . . . . . . . 4671 1 1259 . 1 1 116 116 SER HB2 H 1 3.88 0.02 . 2 . . . . . . . . 4671 1 1260 . 1 1 116 116 SER HB3 H 1 3.66 0.02 . 2 . . . . . . . . 4671 1 1261 . 1 1 116 116 SER C C 13 173.79 0.20 . 1 . . . . . . . . 4671 1 1262 . 1 1 116 116 SER CA C 13 56.86 0.20 . 1 . . . . . . . . 4671 1 1263 . 1 1 116 116 SER CB C 13 64.95 0.20 . 1 . . . . . . . . 4671 1 1264 . 1 1 116 116 SER N N 15 121.02 0.20 . 1 . . . . . . . . 4671 1 1265 . 1 1 117 117 THR H H 1 9.41 0.02 . 1 . . . . . . . . 4671 1 1266 . 1 1 117 117 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 4671 1 1267 . 1 1 117 117 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 4671 1 1268 . 1 1 117 117 THR HG21 H 1 0.76 0.02 . 1 . . . . . . . . 4671 1 1269 . 1 1 117 117 THR HG22 H 1 0.76 0.02 . 1 . . . . . . . . 4671 1 1270 . 1 1 117 117 THR HG23 H 1 0.76 0.02 . 1 . . . . . . . . 4671 1 1271 . 1 1 117 117 THR C C 13 173.31 0.20 . 1 . . . . . . . . 4671 1 1272 . 1 1 117 117 THR CA C 13 62.08 0.20 . 1 . . . . . . . . 4671 1 1273 . 1 1 117 117 THR CB C 13 70.49 0.20 . 1 . . . . . . . . 4671 1 1274 . 1 1 117 117 THR CG2 C 13 22.65 0.20 . 1 . . . . . . . . 4671 1 1275 . 1 1 117 117 THR N N 15 126.20 0.20 . 1 . . . . . . . . 4671 1 1276 . 1 1 118 118 SER H H 1 8.94 0.02 . 1 . . . . . . . . 4671 1 1277 . 1 1 118 118 SER HA H 1 5.06 0.02 . 1 . . . . . . . . 4671 1 1278 . 1 1 118 118 SER HB2 H 1 3.52 0.02 . 1 . . . . . . . . 4671 1 1279 . 1 1 118 118 SER HB3 H 1 3.52 0.02 . 1 . . . . . . . . 4671 1 1280 . 1 1 118 118 SER C C 13 172.35 0.20 . 1 . . . . . . . . 4671 1 1281 . 1 1 118 118 SER CA C 13 55.95 0.20 . 1 . . . . . . . . 4671 1 1282 . 1 1 118 118 SER CB C 13 66.05 0.20 . 1 . . . . . . . . 4671 1 1283 . 1 1 118 118 SER N N 15 121.08 0.20 . 1 . . . . . . . . 4671 1 1284 . 1 1 119 119 HIS H H 1 9.28 0.02 . 1 . . . . . . . . 4671 1 1285 . 1 1 119 119 HIS HA H 1 5.27 0.02 . 1 . . . . . . . . 4671 1 1286 . 1 1 119 119 HIS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 4671 1 1287 . 1 1 119 119 HIS HB3 H 1 2.42 0.02 . 2 . . . . . . . . 4671 1 1288 . 1 1 119 119 HIS HD2 H 1 6.62 0.02 . 1 . . . . . . . . 4671 1 1289 . 1 1 119 119 HIS HE1 H 1 7.67 0.02 . 1 . . . . . . . . 4671 1 1290 . 1 1 119 119 HIS C C 13 174.27 0.20 . 1 . . . . . . . . 4671 1 1291 . 1 1 119 119 HIS CA C 13 53.96 0.20 . 1 . . . . . . . . 4671 1 1292 . 1 1 119 119 HIS CB C 13 31.85 0.20 . 1 . . . . . . . . 4671 1 1293 . 1 1 119 119 HIS N N 15 122.33 0.20 . 1 . . . . . . . . 4671 1 1294 . 1 1 120 120 TYR H H 1 10.04 0.02 . 1 . . . . . . . . 4671 1 1295 . 1 1 120 120 TYR HA H 1 4.48 0.02 . 1 . . . . . . . . 4671 1 1296 . 1 1 120 120 TYR HB2 H 1 3.48 0.02 . 2 . . . . . . . . 4671 1 1297 . 1 1 120 120 TYR HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4671 1 1298 . 1 1 120 120 TYR HD1 H 1 7.19 0.02 . 1 . . . . . . . . 4671 1 1299 . 1 1 120 120 TYR HD2 H 1 7.19 0.02 . 1 . . . . . . . . 4671 1 1300 . 1 1 120 120 TYR HE1 H 1 6.72 0.02 . 1 . . . . . . . . 4671 1 1301 . 1 1 120 120 TYR HE2 H 1 6.72 0.02 . 1 . . . . . . . . 4671 1 1302 . 1 1 120 120 TYR C C 13 174.74 0.20 . 1 . . . . . . . . 4671 1 1303 . 1 1 120 120 TYR CA C 13 58.18 0.20 . 1 . . . . . . . . 4671 1 1304 . 1 1 120 120 TYR CB C 13 39.32 0.20 . 1 . . . . . . . . 4671 1 1305 . 1 1 120 120 TYR N N 15 126.37 0.20 . 1 . . . . . . . . 4671 1 1306 . 1 1 121 121 HIS H H 1 8.22 0.02 . 1 . . . . . . . . 4671 1 1307 . 1 1 121 121 HIS HA H 1 5.14 0.02 . 1 . . . . . . . . 4671 1 1308 . 1 1 121 121 HIS HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4671 1 1309 . 1 1 121 121 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4671 1 1310 . 1 1 121 121 HIS HD2 H 1 6.82 0.02 . 1 . . . . . . . . 4671 1 1311 . 1 1 121 121 HIS HE1 H 1 7.52 0.02 . 1 . . . . . . . . 4671 1 1312 . 1 1 121 121 HIS C C 13 175.70 0.20 . 1 . . . . . . . . 4671 1 1313 . 1 1 121 121 HIS CA C 13 55.55 0.20 . 1 . . . . . . . . 4671 1 1314 . 1 1 121 121 HIS CB C 13 30.50 0.20 . 1 . . . . . . . . 4671 1 1315 . 1 1 121 121 HIS N N 15 123.98 0.20 . 1 . . . . . . . . 4671 1 1316 . 1 1 122 122 THR H H 1 8.79 0.02 . 1 . . . . . . . . 4671 1 1317 . 1 1 122 122 THR HA H 1 4.88 0.02 . 1 . . . . . . . . 4671 1 1318 . 1 1 122 122 THR HB H 1 4.52 0.02 . 1 . . . . . . . . 4671 1 1319 . 1 1 122 122 THR HG1 H 1 5.85 0.02 . 1 . . . . . . . . 4671 1 1320 . 1 1 122 122 THR HG21 H 1 1.32 0.02 . 1 . . . . . . . . 4671 1 1321 . 1 1 122 122 THR HG22 H 1 1.32 0.02 . 1 . . . . . . . . 4671 1 1322 . 1 1 122 122 THR HG23 H 1 1.32 0.02 . 1 . . . . . . . . 4671 1 1323 . 1 1 122 122 THR C C 13 174.54 0.20 . 1 . . . . . . . . 4671 1 1324 . 1 1 122 122 THR CA C 13 61.68 0.20 . 1 . . . . . . . . 4671 1 1325 . 1 1 122 122 THR CB C 13 70.66 0.20 . 1 . . . . . . . . 4671 1 1326 . 1 1 122 122 THR CG2 C 13 22.41 0.20 . 1 . . . . . . . . 4671 1 1327 . 1 1 122 122 THR N N 15 116.48 0.20 . 1 . . . . . . . . 4671 1 1328 . 1 1 123 123 LYS H H 1 8.31 0.02 . 1 . . . . . . . . 4671 1 1329 . 1 1 123 123 LYS HA H 1 4.55 0.02 . 1 . . . . . . . . 4671 1 1330 . 1 1 123 123 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4671 1 1331 . 1 1 123 123 LYS HB3 H 1 1.51 0.02 . 2 . . . . . . . . 4671 1 1332 . 1 1 123 123 LYS C C 13 176.34 0.20 . 1 . . . . . . . . 4671 1 1333 . 1 1 123 123 LYS CA C 13 55.99 0.20 . 1 . . . . . . . . 4671 1 1334 . 1 1 123 123 LYS CB C 13 33.00 0.20 . 1 . . . . . . . . 4671 1 1335 . 1 1 123 123 LYS N N 15 121.00 0.20 . 1 . . . . . . . . 4671 1 1336 . 1 1 124 124 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 4671 1 1337 . 1 1 124 124 GLY HA2 H 1 3.98 0.02 . 2 . . . . . . . . 4671 1 1338 . 1 1 124 124 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 4671 1 1339 . 1 1 124 124 GLY CA C 13 45.31 0.20 . 1 . . . . . . . . 4671 1 1340 . 1 1 124 124 GLY N N 15 109.79 0.20 . 1 . . . . . . . . 4671 1 1341 . 1 1 125 125 ASN H H 1 8.55 0.02 . 1 . . . . . . . . 4671 1 1342 . 1 1 125 125 ASN HA H 1 4.70 0.02 . 1 . . . . . . . . 4671 1 1343 . 1 1 125 125 ASN HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4671 1 1344 . 1 1 125 125 ASN HB3 H 1 2.72 0.02 . 2 . . . . . . . . 4671 1 1345 . 1 1 125 125 ASN HD21 H 1 7.51 0.02 . 2 . . . . . . . . 4671 1 1346 . 1 1 125 125 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 4671 1 1347 . 1 1 125 125 ASN C C 13 174.62 0.20 . 1 . . . . . . . . 4671 1 1348 . 1 1 125 125 ASN CA C 13 53.29 0.20 . 1 . . . . . . . . 4671 1 1349 . 1 1 125 125 ASN CB C 13 37.77 0.20 . 1 . . . . . . . . 4671 1 1350 . 1 1 125 125 ASN N N 15 118.69 0.20 . 1 . . . . . . . . 4671 1 1351 . 1 1 125 125 ASN ND2 N 15 112.06 0.20 . 1 . . . . . . . . 4671 1 1352 . 1 1 126 126 VAL H H 1 7.59 0.02 . 1 . . . . . . . . 4671 1 1353 . 1 1 126 126 VAL HA H 1 4.32 0.02 . 1 . . . . . . . . 4671 1 1354 . 1 1 126 126 VAL HB H 1 2.09 0.02 . 1 . . . . . . . . 4671 1 1355 . 1 1 126 126 VAL HG11 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1356 . 1 1 126 126 VAL HG12 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1357 . 1 1 126 126 VAL HG13 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1358 . 1 1 126 126 VAL HG21 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1359 . 1 1 126 126 VAL HG22 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1360 . 1 1 126 126 VAL HG23 H 1 0.94 0.02 . 1 . . . . . . . . 4671 1 1361 . 1 1 126 126 VAL C C 13 174.77 0.20 . 1 . . . . . . . . 4671 1 1362 . 1 1 126 126 VAL CA C 13 60.94 0.20 . 1 . . . . . . . . 4671 1 1363 . 1 1 126 126 VAL CB C 13 34.36 0.20 . 1 . . . . . . . . 4671 1 1364 . 1 1 126 126 VAL CG1 C 13 19.94 0.20 . 2 . . . . . . . . 4671 1 1365 . 1 1 126 126 VAL CG2 C 13 21.42 0.20 . 2 . . . . . . . . 4671 1 1366 . 1 1 126 126 VAL N N 15 118.29 0.20 . 1 . . . . . . . . 4671 1 1367 . 1 1 127 127 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 4671 1 1368 . 1 1 127 127 GLU HA H 1 4.12 0.02 . 1 . . . . . . . . 4671 1 1369 . 1 1 127 127 GLU HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4671 1 1370 . 1 1 127 127 GLU HB3 H 1 1.79 0.02 . 2 . . . . . . . . 4671 1 1371 . 1 1 127 127 GLU HG2 H 1 2.10 0.02 . 1 . . . . . . . . 4671 1 1372 . 1 1 127 127 GLU HG3 H 1 2.10 0.02 . 1 . . . . . . . . 4671 1 1373 . 1 1 127 127 GLU C C 13 175.74 0.20 . 1 . . . . . . . . 4671 1 1374 . 1 1 127 127 GLU CA C 13 55.59 0.20 . 1 . . . . . . . . 4671 1 1375 . 1 1 127 127 GLU CB C 13 30.76 0.20 . 1 . . . . . . . . 4671 1 1376 . 1 1 127 127 GLU CG C 13 36.08 0.20 . 1 . . . . . . . . 4671 1 1377 . 1 1 127 127 GLU N N 15 123.37 0.20 . 1 . . . . . . . . 4671 1 1378 . 1 1 128 128 ILE H H 1 7.24 0.02 . 1 . . . . . . . . 4671 1 1379 . 1 1 128 128 ILE HA H 1 3.97 0.02 . 1 . . . . . . . . 4671 1 1380 . 1 1 128 128 ILE HB H 1 1.30 0.02 . 1 . . . . . . . . 4671 1 1381 . 1 1 128 128 ILE HG12 H 1 1.02 0.02 . 2 . . . . . . . . 4671 1 1382 . 1 1 128 128 ILE HG13 H 1 0.92 0.02 . 2 . . . . . . . . 4671 1 1383 . 1 1 128 128 ILE HG21 H 1 0.33 0.02 . 1 . . . . . . . . 4671 1 1384 . 1 1 128 128 ILE HG22 H 1 0.33 0.02 . 1 . . . . . . . . 4671 1 1385 . 1 1 128 128 ILE HG23 H 1 0.33 0.02 . 1 . . . . . . . . 4671 1 1386 . 1 1 128 128 ILE HD11 H 1 0.51 0.02 . 1 . . . . . . . . 4671 1 1387 . 1 1 128 128 ILE HD12 H 1 0.51 0.02 . 1 . . . . . . . . 4671 1 1388 . 1 1 128 128 ILE HD13 H 1 0.51 0.02 . 1 . . . . . . . . 4671 1 1389 . 1 1 128 128 ILE C C 13 175.45 0.20 . 1 . . . . . . . . 4671 1 1390 . 1 1 128 128 ILE CA C 13 59.12 0.20 . 1 . . . . . . . . 4671 1 1391 . 1 1 128 128 ILE CB C 13 37.54 0.20 . 1 . . . . . . . . 4671 1 1392 . 1 1 128 128 ILE CG1 C 13 27.30 0.20 . 1 . . . . . . . . 4671 1 1393 . 1 1 128 128 ILE CG2 C 13 17.13 0.20 . 1 . . . . . . . . 4671 1 1394 . 1 1 128 128 ILE CD1 C 13 12.31 0.20 . 1 . . . . . . . . 4671 1 1395 . 1 1 128 128 ILE N N 15 123.56 0.20 . 1 . . . . . . . . 4671 1 1396 . 1 1 129 129 LYS H H 1 8.67 0.02 . 1 . . . . . . . . 4671 1 1397 . 1 1 129 129 LYS HA H 1 4.25 0.02 . 1 . . . . . . . . 4671 1 1398 . 1 1 129 129 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 4671 1 1399 . 1 1 129 129 LYS HB3 H 1 1.43 0.02 . 2 . . . . . . . . 4671 1 1400 . 1 1 129 129 LYS HG2 H 1 1.54 0.02 . 1 . . . . . . . . 4671 1 1401 . 1 1 129 129 LYS HG3 H 1 1.54 0.02 . 1 . . . . . . . . 4671 1 1402 . 1 1 129 129 LYS C C 13 177.46 0.20 . 1 . . . . . . . . 4671 1 1403 . 1 1 129 129 LYS CA C 13 55.55 0.20 . 1 . . . . . . . . 4671 1 1404 . 1 1 129 129 LYS CB C 13 32.79 0.20 . 1 . . . . . . . . 4671 1 1405 . 1 1 129 129 LYS CG C 13 25.00 0.20 . 1 . . . . . . . . 4671 1 1406 . 1 1 129 129 LYS N N 15 127.33 0.20 . 1 . . . . . . . . 4671 1 1407 . 1 1 130 130 GLU H H 1 8.79 0.02 . 1 . . . . . . . . 4671 1 1408 . 1 1 130 130 GLU HA H 1 3.69 0.02 . 1 . . . . . . . . 4671 1 1409 . 1 1 130 130 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4671 1 1410 . 1 1 130 130 GLU HB3 H 1 1.92 0.02 . 2 . . . . . . . . 4671 1 1411 . 1 1 130 130 GLU HG2 H 1 2.21 0.02 . 1 . . . . . . . . 4671 1 1412 . 1 1 130 130 GLU HG3 H 1 2.21 0.02 . 1 . . . . . . . . 4671 1 1413 . 1 1 130 130 GLU C C 13 178.42 0.20 . 1 . . . . . . . . 4671 1 1414 . 1 1 130 130 GLU CA C 13 59.60 0.20 . 1 . . . . . . . . 4671 1 1415 . 1 1 130 130 GLU CB C 13 29.29 0.20 . 1 . . . . . . . . 4671 1 1416 . 1 1 130 130 GLU CG C 13 36.24 0.20 . 1 . . . . . . . . 4671 1 1417 . 1 1 130 130 GLU N N 15 125.33 0.20 . 1 . . . . . . . . 4671 1 1418 . 1 1 131 131 GLU H H 1 9.16 0.02 . 1 . . . . . . . . 4671 1 1419 . 1 1 131 131 GLU HA H 1 3.93 0.02 . 1 . . . . . . . . 4671 1 1420 . 1 1 131 131 GLU HB2 H 1 1.89 0.02 . 1 . . . . . . . . 4671 1 1421 . 1 1 131 131 GLU HB3 H 1 1.89 0.02 . 1 . . . . . . . . 4671 1 1422 . 1 1 131 131 GLU HG2 H 1 2.08 0.02 . 1 . . . . . . . . 4671 1 1423 . 1 1 131 131 GLU HG3 H 1 2.08 0.02 . 1 . . . . . . . . 4671 1 1424 . 1 1 131 131 GLU C C 13 178.53 0.20 . 1 . . . . . . . . 4671 1 1425 . 1 1 131 131 GLU CA C 13 59.44 0.20 . 1 . . . . . . . . 4671 1 1426 . 1 1 131 131 GLU CB C 13 28.88 0.20 . 1 . . . . . . . . 4671 1 1427 . 1 1 131 131 GLU CG C 13 35.94 0.20 . 1 . . . . . . . . 4671 1 1428 . 1 1 131 131 GLU N N 15 117.27 0.20 . 1 . . . . . . . . 4671 1 1429 . 1 1 132 132 HIS H H 1 7.43 0.02 . 1 . . . . . . . . 4671 1 1430 . 1 1 132 132 HIS HA H 1 4.40 0.02 . 1 . . . . . . . . 4671 1 1431 . 1 1 132 132 HIS HB2 H 1 3.16 0.02 . 1 . . . . . . . . 4671 1 1432 . 1 1 132 132 HIS HB3 H 1 3.16 0.02 . 1 . . . . . . . . 4671 1 1433 . 1 1 132 132 HIS HD2 H 1 6.93 0.02 . 1 . . . . . . . . 4671 1 1434 . 1 1 132 132 HIS HE1 H 1 7.64 0.02 . 1 . . . . . . . . 4671 1 1435 . 1 1 132 132 HIS C C 13 178.25 0.20 . 1 . . . . . . . . 4671 1 1436 . 1 1 132 132 HIS CA C 13 58.61 0.20 . 1 . . . . . . . . 4671 1 1437 . 1 1 132 132 HIS CB C 13 31.36 0.20 . 1 . . . . . . . . 4671 1 1438 . 1 1 132 132 HIS N N 15 119.63 0.20 . 1 . . . . . . . . 4671 1 1439 . 1 1 133 133 VAL H H 1 7.15 0.02 . 1 . . . . . . . . 4671 1 1440 . 1 1 133 133 VAL HA H 1 3.63 0.02 . 1 . . . . . . . . 4671 1 1441 . 1 1 133 133 VAL HB H 1 1.78 0.02 . 1 . . . . . . . . 4671 1 1442 . 1 1 133 133 VAL HG11 H 1 0.16 0.02 . 2 . . . . . . . . 4671 1 1443 . 1 1 133 133 VAL HG12 H 1 0.16 0.02 . 2 . . . . . . . . 4671 1 1444 . 1 1 133 133 VAL HG13 H 1 0.16 0.02 . 2 . . . . . . . . 4671 1 1445 . 1 1 133 133 VAL HG21 H 1 0.30 0.02 . 2 . . . . . . . . 4671 1 1446 . 1 1 133 133 VAL HG22 H 1 0.30 0.02 . 2 . . . . . . . . 4671 1 1447 . 1 1 133 133 VAL HG23 H 1 0.30 0.02 . 2 . . . . . . . . 4671 1 1448 . 1 1 133 133 VAL C C 13 178.91 0.20 . 1 . . . . . . . . 4671 1 1449 . 1 1 133 133 VAL CA C 13 64.86 0.20 . 1 . . . . . . . . 4671 1 1450 . 1 1 133 133 VAL CB C 13 31.63 0.20 . 1 . . . . . . . . 4671 1 1451 . 1 1 133 133 VAL CG1 C 13 20.53 0.20 . 2 . . . . . . . . 4671 1 1452 . 1 1 133 133 VAL CG2 C 13 20.45 0.20 . 2 . . . . . . . . 4671 1 1453 . 1 1 133 133 VAL N N 15 119.89 0.20 . 1 . . . . . . . . 4671 1 1454 . 1 1 134 134 LYS H H 1 8.14 0.02 . 1 . . . . . . . . 4671 1 1455 . 1 1 134 134 LYS HA H 1 3.87 0.02 . 1 . . . . . . . . 4671 1 1456 . 1 1 134 134 LYS HB2 H 1 1.80 0.02 . 1 . . . . . . . . 4671 1 1457 . 1 1 134 134 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 4671 1 1458 . 1 1 134 134 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4671 1 1459 . 1 1 134 134 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4671 1 1460 . 1 1 134 134 LYS HD2 H 1 1.64 0.02 . 1 . . . . . . . . 4671 1 1461 . 1 1 134 134 LYS HD3 H 1 1.64 0.02 . 1 . . . . . . . . 4671 1 1462 . 1 1 134 134 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 4671 1 1463 . 1 1 134 134 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 4671 1 1464 . 1 1 134 134 LYS C C 13 178.47 0.20 . 1 . . . . . . . . 4671 1 1465 . 1 1 134 134 LYS CA C 13 59.71 0.20 . 1 . . . . . . . . 4671 1 1466 . 1 1 134 134 LYS CB C 13 32.49 0.20 . 1 . . . . . . . . 4671 1 1467 . 1 1 134 134 LYS CG C 13 24.99 0.20 . 1 . . . . . . . . 4671 1 1468 . 1 1 134 134 LYS CD C 13 29.10 0.20 . 1 . . . . . . . . 4671 1 1469 . 1 1 134 134 LYS CE C 13 41.86 0.20 . 1 . . . . . . . . 4671 1 1470 . 1 1 134 134 LYS N N 15 120.99 0.20 . 1 . . . . . . . . 4671 1 1471 . 1 1 135 135 ALA H H 1 7.91 0.02 . 1 . . . . . . . . 4671 1 1472 . 1 1 135 135 ALA HA H 1 4.19 0.02 . 1 . . . . . . . . 4671 1 1473 . 1 1 135 135 ALA HB1 H 1 1.46 0.02 . 1 . . . . . . . . 4671 1 1474 . 1 1 135 135 ALA HB2 H 1 1.46 0.02 . 1 . . . . . . . . 4671 1 1475 . 1 1 135 135 ALA HB3 H 1 1.46 0.02 . 1 . . . . . . . . 4671 1 1476 . 1 1 135 135 ALA C C 13 180.75 0.20 . 1 . . . . . . . . 4671 1 1477 . 1 1 135 135 ALA CA C 13 54.97 0.20 . 1 . . . . . . . . 4671 1 1478 . 1 1 135 135 ALA CB C 13 18.04 0.20 . 1 . . . . . . . . 4671 1 1479 . 1 1 135 135 ALA N N 15 121.41 0.20 . 1 . . . . . . . . 4671 1 1480 . 1 1 136 136 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4671 1 1481 . 1 1 136 136 GLY HA2 H 1 3.99 0.02 . 2 . . . . . . . . 4671 1 1482 . 1 1 136 136 GLY HA3 H 1 3.84 0.02 . 2 . . . . . . . . 4671 1 1483 . 1 1 136 136 GLY C C 13 176.76 0.20 . 1 . . . . . . . . 4671 1 1484 . 1 1 136 136 GLY CA C 13 47.08 0.20 . 1 . . . . . . . . 4671 1 1485 . 1 1 136 136 GLY N N 15 106.00 0.20 . 1 . . . . . . . . 4671 1 1486 . 1 1 137 137 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 4671 1 1487 . 1 1 137 137 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 4671 1 1488 . 1 1 137 137 LYS HB2 H 1 2.00 0.02 . 1 . . . . . . . . 4671 1 1489 . 1 1 137 137 LYS HB3 H 1 2.00 0.02 . 1 . . . . . . . . 4671 1 1490 . 1 1 137 137 LYS HG2 H 1 1.62 0.02 . 2 . . . . . . . . 4671 1 1491 . 1 1 137 137 LYS HG3 H 1 1.52 0.02 . 2 . . . . . . . . 4671 1 1492 . 1 1 137 137 LYS C C 13 178.80 0.20 . 1 . . . . . . . . 4671 1 1493 . 1 1 137 137 LYS CA C 13 59.61 0.20 . 1 . . . . . . . . 4671 1 1494 . 1 1 137 137 LYS CB C 13 32.60 0.20 . 1 . . . . . . . . 4671 1 1495 . 1 1 137 137 LYS CG C 13 25.10 0.20 . 1 . . . . . . . . 4671 1 1496 . 1 1 137 137 LYS N N 15 124.02 0.20 . 1 . . . . . . . . 4671 1 1497 . 1 1 138 138 GLU H H 1 8.23 0.02 . 1 . . . . . . . . 4671 1 1498 . 1 1 138 138 GLU HA H 1 4.06 0.02 . 1 . . . . . . . . 4671 1 1499 . 1 1 138 138 GLU HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4671 1 1500 . 1 1 138 138 GLU HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4671 1 1501 . 1 1 138 138 GLU HG2 H 1 2.35 0.02 . 2 . . . . . . . . 4671 1 1502 . 1 1 138 138 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4671 1 1503 . 1 1 138 138 GLU C C 13 178.82 0.20 . 1 . . . . . . . . 4671 1 1504 . 1 1 138 138 GLU CA C 13 59.18 0.20 . 1 . . . . . . . . 4671 1 1505 . 1 1 138 138 GLU CB C 13 29.42 0.20 . 1 . . . . . . . . 4671 1 1506 . 1 1 138 138 GLU CG C 13 36.27 0.20 . 1 . . . . . . . . 4671 1 1507 . 1 1 138 138 GLU N N 15 120.57 0.20 . 1 . . . . . . . . 4671 1 1508 . 1 1 139 139 LYS H H 1 7.99 0.02 . 1 . . . . . . . . 4671 1 1509 . 1 1 139 139 LYS HA H 1 4.00 0.02 . 1 . . . . . . . . 4671 1 1510 . 1 1 139 139 LYS HB2 H 1 1.81 0.02 . 1 . . . . . . . . 4671 1 1511 . 1 1 139 139 LYS HB3 H 1 1.81 0.02 . 1 . . . . . . . . 4671 1 1512 . 1 1 139 139 LYS HG2 H 1 1.53 0.02 . 2 . . . . . . . . 4671 1 1513 . 1 1 139 139 LYS HG3 H 1 1.40 0.02 . 2 . . . . . . . . 4671 1 1514 . 1 1 139 139 LYS C C 13 179.32 0.20 . 1 . . . . . . . . 4671 1 1515 . 1 1 139 139 LYS CA C 13 59.41 0.20 . 1 . . . . . . . . 4671 1 1516 . 1 1 139 139 LYS CB C 13 32.34 0.20 . 1 . . . . . . . . 4671 1 1517 . 1 1 139 139 LYS CG C 13 25.80 0.20 . 1 . . . . . . . . 4671 1 1518 . 1 1 139 139 LYS N N 15 119.36 0.20 . 1 . . . . . . . . 4671 1 1519 . 1 1 140 140 ALA H H 1 7.69 0.02 . 1 . . . . . . . . 4671 1 1520 . 1 1 140 140 ALA HA H 1 3.96 0.02 . 1 . . . . . . . . 4671 1 1521 . 1 1 140 140 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1522 . 1 1 140 140 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1523 . 1 1 140 140 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1524 . 1 1 140 140 ALA C C 13 179.21 0.20 . 1 . . . . . . . . 4671 1 1525 . 1 1 140 140 ALA CA C 13 54.89 0.20 . 1 . . . . . . . . 4671 1 1526 . 1 1 140 140 ALA CB C 13 18.23 0.20 . 1 . . . . . . . . 4671 1 1527 . 1 1 140 140 ALA N N 15 121.90 0.20 . 1 . . . . . . . . 4671 1 1528 . 1 1 141 141 SER H H 1 8.28 0.02 . 1 . . . . . . . . 4671 1 1529 . 1 1 141 141 SER HA H 1 3.78 0.02 . 1 . . . . . . . . 4671 1 1530 . 1 1 141 141 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 4671 1 1531 . 1 1 141 141 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 4671 1 1532 . 1 1 141 141 SER C C 13 177.12 0.20 . 1 . . . . . . . . 4671 1 1533 . 1 1 141 141 SER CA C 13 61.24 0.20 . 1 . . . . . . . . 4671 1 1534 . 1 1 141 141 SER CB C 13 62.81 0.20 . 1 . . . . . . . . 4671 1 1535 . 1 1 141 141 SER N N 15 113.37 0.20 . 1 . . . . . . . . 4671 1 1536 . 1 1 142 142 ASN H H 1 8.21 0.02 . 1 . . . . . . . . 4671 1 1537 . 1 1 142 142 ASN HA H 1 4.39 0.02 . 1 . . . . . . . . 4671 1 1538 . 1 1 142 142 ASN HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4671 1 1539 . 1 1 142 142 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4671 1 1540 . 1 1 142 142 ASN HD21 H 1 7.58 0.02 . 2 . . . . . . . . 4671 1 1541 . 1 1 142 142 ASN HD22 H 1 6.95 0.02 . 2 . . . . . . . . 4671 1 1542 . 1 1 142 142 ASN C C 13 177.37 0.20 . 1 . . . . . . . . 4671 1 1543 . 1 1 142 142 ASN CA C 13 56.16 0.20 . 1 . . . . . . . . 4671 1 1544 . 1 1 142 142 ASN CB C 13 38.52 0.20 . 1 . . . . . . . . 4671 1 1545 . 1 1 142 142 ASN N N 15 119.06 0.20 . 1 . . . . . . . . 4671 1 1546 . 1 1 142 142 ASN ND2 N 15 112.47 0.20 . 1 . . . . . . . . 4671 1 1547 . 1 1 143 143 LEU H H 1 7.68 0.02 . 1 . . . . . . . . 4671 1 1548 . 1 1 143 143 LEU HA H 1 4.01 0.02 . 1 . . . . . . . . 4671 1 1549 . 1 1 143 143 LEU HB2 H 1 1.63 0.02 . 2 . . . . . . . . 4671 1 1550 . 1 1 143 143 LEU HB3 H 1 1.53 0.02 . 2 . . . . . . . . 4671 1 1551 . 1 1 143 143 LEU HG H 1 1.42 0.02 . 1 . . . . . . . . 4671 1 1552 . 1 1 143 143 LEU HD11 H 1 0.74 0.02 . 2 . . . . . . . . 4671 1 1553 . 1 1 143 143 LEU HD12 H 1 0.74 0.02 . 2 . . . . . . . . 4671 1 1554 . 1 1 143 143 LEU HD13 H 1 0.74 0.02 . 2 . . . . . . . . 4671 1 1555 . 1 1 143 143 LEU HD21 H 1 0.80 0.02 . 2 . . . . . . . . 4671 1 1556 . 1 1 143 143 LEU HD22 H 1 0.80 0.02 . 2 . . . . . . . . 4671 1 1557 . 1 1 143 143 LEU HD23 H 1 0.80 0.02 . 2 . . . . . . . . 4671 1 1558 . 1 1 143 143 LEU C C 13 178.56 0.20 . 1 . . . . . . . . 4671 1 1559 . 1 1 143 143 LEU CA C 13 58.04 0.20 . 1 . . . . . . . . 4671 1 1560 . 1 1 143 143 LEU CB C 13 41.02 0.20 . 1 . . . . . . . . 4671 1 1561 . 1 1 143 143 LEU CG C 13 26.98 0.20 . 1 . . . . . . . . 4671 1 1562 . 1 1 143 143 LEU CD1 C 13 24.94 0.20 . 2 . . . . . . . . 4671 1 1563 . 1 1 143 143 LEU CD2 C 13 23.70 0.20 . 2 . . . . . . . . 4671 1 1564 . 1 1 143 143 LEU N N 15 121.07 0.20 . 1 . . . . . . . . 4671 1 1565 . 1 1 144 144 PHE H H 1 8.00 0.02 . 1 . . . . . . . . 4671 1 1566 . 1 1 144 144 PHE HA H 1 3.93 0.02 . 1 . . . . . . . . 4671 1 1567 . 1 1 144 144 PHE HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4671 1 1568 . 1 1 144 144 PHE HB3 H 1 2.76 0.02 . 2 . . . . . . . . 4671 1 1569 . 1 1 144 144 PHE HD1 H 1 6.54 0.02 . 1 . . . . . . . . 4671 1 1570 . 1 1 144 144 PHE HD2 H 1 6.54 0.02 . 1 . . . . . . . . 4671 1 1571 . 1 1 144 144 PHE HE1 H 1 6.50 0.02 . 1 . . . . . . . . 4671 1 1572 . 1 1 144 144 PHE HE2 H 1 6.50 0.02 . 1 . . . . . . . . 4671 1 1573 . 1 1 144 144 PHE C C 13 178.18 0.20 . 1 . . . . . . . . 4671 1 1574 . 1 1 144 144 PHE CA C 13 62.29 0.20 . 1 . . . . . . . . 4671 1 1575 . 1 1 144 144 PHE CB C 13 37.58 0.20 . 1 . . . . . . . . 4671 1 1576 . 1 1 144 144 PHE N N 15 117.23 0.20 . 1 . . . . . . . . 4671 1 1577 . 1 1 145 145 LYS H H 1 8.10 0.02 . 1 . . . . . . . . 4671 1 1578 . 1 1 145 145 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4671 1 1579 . 1 1 145 145 LYS HB2 H 1 1.98 0.02 . 1 . . . . . . . . 4671 1 1580 . 1 1 145 145 LYS HB3 H 1 1.98 0.02 . 1 . . . . . . . . 4671 1 1581 . 1 1 145 145 LYS C C 13 179.36 0.20 . 1 . . . . . . . . 4671 1 1582 . 1 1 145 145 LYS CA C 13 59.31 0.20 . 1 . . . . . . . . 4671 1 1583 . 1 1 145 145 LYS CB C 13 31.79 0.20 . 1 . . . . . . . . 4671 1 1584 . 1 1 145 145 LYS CG C 13 24.96 0.20 . 1 . . . . . . . . 4671 1 1585 . 1 1 145 145 LYS N N 15 120.05 0.20 . 1 . . . . . . . . 4671 1 1586 . 1 1 146 146 LEU H H 1 7.97 0.02 . 1 . . . . . . . . 4671 1 1587 . 1 1 146 146 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 4671 1 1588 . 1 1 146 146 LEU HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4671 1 1589 . 1 1 146 146 LEU HB3 H 1 1.43 0.02 . 2 . . . . . . . . 4671 1 1590 . 1 1 146 146 LEU HG H 1 1.86 0.02 . 1 . . . . . . . . 4671 1 1591 . 1 1 146 146 LEU HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1592 . 1 1 146 146 LEU HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1593 . 1 1 146 146 LEU HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1594 . 1 1 146 146 LEU HD21 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1595 . 1 1 146 146 LEU HD22 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1596 . 1 1 146 146 LEU HD23 H 1 0.88 0.02 . 1 . . . . . . . . 4671 1 1597 . 1 1 146 146 LEU C C 13 180.44 0.20 . 1 . . . . . . . . 4671 1 1598 . 1 1 146 146 LEU CA C 13 58.17 0.20 . 1 . . . . . . . . 4671 1 1599 . 1 1 146 146 LEU CB C 13 42.32 0.20 . 1 . . . . . . . . 4671 1 1600 . 1 1 146 146 LEU CG C 13 26.68 0.20 . 1 . . . . . . . . 4671 1 1601 . 1 1 146 146 LEU CD1 C 13 25.49 0.20 . 2 . . . . . . . . 4671 1 1602 . 1 1 146 146 LEU CD2 C 13 23.46 0.20 . 2 . . . . . . . . 4671 1 1603 . 1 1 146 146 LEU N N 15 121.29 0.20 . 1 . . . . . . . . 4671 1 1604 . 1 1 147 147 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 4671 1 1605 . 1 1 147 147 ILE HA H 1 3.51 0.02 . 1 . . . . . . . . 4671 1 1606 . 1 1 147 147 ILE HB H 1 1.85 0.02 . 1 . . . . . . . . 4671 1 1607 . 1 1 147 147 ILE HG12 H 1 1.72 0.02 . 2 . . . . . . . . 4671 1 1608 . 1 1 147 147 ILE HG13 H 1 0.82 0.02 . 2 . . . . . . . . 4671 1 1609 . 1 1 147 147 ILE HG21 H 1 0.71 0.02 . 1 . . . . . . . . 4671 1 1610 . 1 1 147 147 ILE HG22 H 1 0.71 0.02 . 1 . . . . . . . . 4671 1 1611 . 1 1 147 147 ILE HG23 H 1 0.71 0.02 . 1 . . . . . . . . 4671 1 1612 . 1 1 147 147 ILE HD11 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 1613 . 1 1 147 147 ILE HD12 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 1614 . 1 1 147 147 ILE HD13 H 1 0.64 0.02 . 1 . . . . . . . . 4671 1 1615 . 1 1 147 147 ILE C C 13 177.13 0.20 . 1 . . . . . . . . 4671 1 1616 . 1 1 147 147 ILE CA C 13 65.48 0.20 . 1 . . . . . . . . 4671 1 1617 . 1 1 147 147 ILE CB C 13 37.76 0.20 . 1 . . . . . . . . 4671 1 1618 . 1 1 147 147 ILE CG1 C 13 29.52 0.20 . 1 . . . . . . . . 4671 1 1619 . 1 1 147 147 ILE CG2 C 13 17.39 0.20 . 1 . . . . . . . . 4671 1 1620 . 1 1 147 147 ILE CD1 C 13 13.51 0.20 . 1 . . . . . . . . 4671 1 1621 . 1 1 147 147 ILE N N 15 120.97 0.20 . 1 . . . . . . . . 4671 1 1622 . 1 1 148 148 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 4671 1 1623 . 1 1 148 148 GLU HA H 1 3.69 0.02 . 1 . . . . . . . . 4671 1 1624 . 1 1 148 148 GLU HB2 H 1 2.08 0.02 . 1 . . . . . . . . 4671 1 1625 . 1 1 148 148 GLU HB3 H 1 2.08 0.02 . 1 . . . . . . . . 4671 1 1626 . 1 1 148 148 GLU HG2 H 1 2.12 0.02 . 1 . . . . . . . . 4671 1 1627 . 1 1 148 148 GLU HG3 H 1 2.12 0.02 . 1 . . . . . . . . 4671 1 1628 . 1 1 148 148 GLU C C 13 178.08 0.20 . 1 . . . . . . . . 4671 1 1629 . 1 1 148 148 GLU CA C 13 60.45 0.20 . 1 . . . . . . . . 4671 1 1630 . 1 1 148 148 GLU CB C 13 30.16 0.20 . 1 . . . . . . . . 4671 1 1631 . 1 1 148 148 GLU CG C 13 37.14 0.20 . 1 . . . . . . . . 4671 1 1632 . 1 1 148 148 GLU N N 15 121.84 0.20 . 1 . . . . . . . . 4671 1 1633 . 1 1 149 149 THR H H 1 8.42 0.02 . 1 . . . . . . . . 4671 1 1634 . 1 1 149 149 THR HA H 1 3.82 0.02 . 1 . . . . . . . . 4671 1 1635 . 1 1 149 149 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 4671 1 1636 . 1 1 149 149 THR HG21 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1637 . 1 1 149 149 THR HG22 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1638 . 1 1 149 149 THR HG23 H 1 1.29 0.02 . 1 . . . . . . . . 4671 1 1639 . 1 1 149 149 THR C C 13 177.13 0.20 . 1 . . . . . . . . 4671 1 1640 . 1 1 149 149 THR CA C 13 67.07 0.20 . 1 . . . . . . . . 4671 1 1641 . 1 1 149 149 THR CB C 13 68.79 0.20 . 1 . . . . . . . . 4671 1 1642 . 1 1 149 149 THR CG2 C 13 21.70 0.20 . 1 . . . . . . . . 4671 1 1643 . 1 1 149 149 THR N N 15 115.26 0.20 . 1 . . . . . . . . 4671 1 1644 . 1 1 150 150 TYR H H 1 7.96 0.02 . 1 . . . . . . . . 4671 1 1645 . 1 1 150 150 TYR HA H 1 4.31 0.02 . 1 . . . . . . . . 4671 1 1646 . 1 1 150 150 TYR HB2 H 1 3.15 0.02 . 1 . . . . . . . . 4671 1 1647 . 1 1 150 150 TYR HB3 H 1 3.15 0.02 . 1 . . . . . . . . 4671 1 1648 . 1 1 150 150 TYR HD1 H 1 6.90 0.02 . 1 . . . . . . . . 4671 1 1649 . 1 1 150 150 TYR HD2 H 1 6.90 0.02 . 1 . . . . . . . . 4671 1 1650 . 1 1 150 150 TYR HE1 H 1 6.35 0.02 . 1 . . . . . . . . 4671 1 1651 . 1 1 150 150 TYR HE2 H 1 6.35 0.02 . 1 . . . . . . . . 4671 1 1652 . 1 1 150 150 TYR C C 13 178.78 0.20 . 1 . . . . . . . . 4671 1 1653 . 1 1 150 150 TYR CA C 13 62.37 0.20 . 1 . . . . . . . . 4671 1 1654 . 1 1 150 150 TYR CB C 13 38.41 0.20 . 1 . . . . . . . . 4671 1 1655 . 1 1 150 150 TYR N N 15 123.60 0.20 . 1 . . . . . . . . 4671 1 1656 . 1 1 151 151 LEU H H 1 8.81 0.02 . 1 . . . . . . . . 4671 1 1657 . 1 1 151 151 LEU HA H 1 3.96 0.02 . 1 . . . . . . . . 4671 1 1658 . 1 1 151 151 LEU HB2 H 1 1.95 0.02 . 2 . . . . . . . . 4671 1 1659 . 1 1 151 151 LEU HB3 H 1 1.35 0.02 . 2 . . . . . . . . 4671 1 1660 . 1 1 151 151 LEU HG H 1 2.10 0.02 . 1 . . . . . . . . 4671 1 1661 . 1 1 151 151 LEU HD11 H 1 0.76 0.02 . 2 . . . . . . . . 4671 1 1662 . 1 1 151 151 LEU HD12 H 1 0.76 0.02 . 2 . . . . . . . . 4671 1 1663 . 1 1 151 151 LEU HD13 H 1 0.76 0.02 . 2 . . . . . . . . 4671 1 1664 . 1 1 151 151 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 1665 . 1 1 151 151 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 1666 . 1 1 151 151 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4671 1 1667 . 1 1 151 151 LEU C C 13 180.26 0.20 . 1 . . . . . . . . 4671 1 1668 . 1 1 151 151 LEU CA C 13 57.84 0.20 . 1 . . . . . . . . 4671 1 1669 . 1 1 151 151 LEU CB C 13 41.05 0.20 . 1 . . . . . . . . 4671 1 1670 . 1 1 151 151 LEU CG C 13 26.94 0.20 . 1 . . . . . . . . 4671 1 1671 . 1 1 151 151 LEU CD1 C 13 27.61 0.20 . 2 . . . . . . . . 4671 1 1672 . 1 1 151 151 LEU CD2 C 13 22.95 0.20 . 2 . . . . . . . . 4671 1 1673 . 1 1 151 151 LEU N N 15 120.40 0.20 . 1 . . . . . . . . 4671 1 1674 . 1 1 152 152 LYS H H 1 8.55 0.02 . 1 . . . . . . . . 4671 1 1675 . 1 1 152 152 LYS HA H 1 4.03 0.02 . 1 . . . . . . . . 4671 1 1676 . 1 1 152 152 LYS HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4671 1 1677 . 1 1 152 152 LYS HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4671 1 1678 . 1 1 152 152 LYS HG2 H 1 1.40 0.02 . 1 . . . . . . . . 4671 1 1679 . 1 1 152 152 LYS HG3 H 1 1.40 0.02 . 1 . . . . . . . . 4671 1 1680 . 1 1 152 152 LYS C C 13 178.42 0.20 . 1 . . . . . . . . 4671 1 1681 . 1 1 152 152 LYS CA C 13 59.33 0.20 . 1 . . . . . . . . 4671 1 1682 . 1 1 152 152 LYS CB C 13 32.15 0.20 . 1 . . . . . . . . 4671 1 1683 . 1 1 152 152 LYS CG C 13 25.45 0.20 . 1 . . . . . . . . 4671 1 1684 . 1 1 152 152 LYS CD C 13 29.56 0.20 . 1 . . . . . . . . 4671 1 1685 . 1 1 152 152 LYS N N 15 119.90 0.20 . 1 . . . . . . . . 4671 1 1686 . 1 1 153 153 GLY H H 1 7.51 0.02 . 1 . . . . . . . . 4671 1 1687 . 1 1 153 153 GLY HA2 H 1 4.01 0.02 . 2 . . . . . . . . 4671 1 1688 . 1 1 153 153 GLY HA3 H 1 3.60 0.02 . 2 . . . . . . . . 4671 1 1689 . 1 1 153 153 GLY C C 13 172.97 0.20 . 1 . . . . . . . . 4671 1 1690 . 1 1 153 153 GLY CA C 13 44.92 0.20 . 1 . . . . . . . . 4671 1 1691 . 1 1 153 153 GLY N N 15 103.74 0.20 . 1 . . . . . . . . 4671 1 1692 . 1 1 154 154 HIS H H 1 7.18 0.02 . 1 . . . . . . . . 4671 1 1693 . 1 1 154 154 HIS HA H 1 4.81 0.02 . 1 . . . . . . . . 4671 1 1694 . 1 1 154 154 HIS HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4671 1 1695 . 1 1 154 154 HIS HB3 H 1 2.44 0.02 . 2 . . . . . . . . 4671 1 1696 . 1 1 154 154 HIS HD2 H 1 6.78 0.02 . 1 . . . . . . . . 4671 1 1697 . 1 1 154 154 HIS HE1 H 1 7.85 0.02 . 1 . . . . . . . . 4671 1 1698 . 1 1 154 154 HIS CA C 13 54.10 0.20 . 1 . . . . . . . . 4671 1 1699 . 1 1 154 154 HIS CB C 13 27.98 0.20 . 1 . . . . . . . . 4671 1 1700 . 1 1 154 154 HIS N N 15 117.57 0.20 . 1 . . . . . . . . 4671 1 1701 . 1 1 155 155 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 4671 1 1702 . 1 1 155 155 PRO HB2 H 1 2.31 0.02 . 2 . . . . . . . . 4671 1 1703 . 1 1 155 155 PRO HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4671 1 1704 . 1 1 155 155 PRO HG2 H 1 1.90 0.02 . 1 . . . . . . . . 4671 1 1705 . 1 1 155 155 PRO HG3 H 1 1.90 0.02 . 1 . . . . . . . . 4671 1 1706 . 1 1 155 155 PRO HD2 H 1 3.56 0.02 . 2 . . . . . . . . 4671 1 1707 . 1 1 155 155 PRO HD3 H 1 3.25 0.02 . 2 . . . . . . . . 4671 1 1708 . 1 1 155 155 PRO C C 13 176.13 0.20 . 1 . . . . . . . . 4671 1 1709 . 1 1 155 155 PRO CA C 13 64.70 0.20 . 1 . . . . . . . . 4671 1 1710 . 1 1 155 155 PRO CB C 13 32.11 0.20 . 1 . . . . . . . . 4671 1 1711 . 1 1 155 155 PRO CG C 13 26.87 0.20 . 1 . . . . . . . . 4671 1 1712 . 1 1 155 155 PRO CD C 13 50.41 0.20 . 1 . . . . . . . . 4671 1 1713 . 1 1 156 156 ASP H H 1 8.51 0.02 . 1 . . . . . . . . 4671 1 1714 . 1 1 156 156 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4671 1 1715 . 1 1 156 156 ASP HB2 H 1 2.64 0.02 . 2 . . . . . . . . 4671 1 1716 . 1 1 156 156 ASP HB3 H 1 2.56 0.02 . 2 . . . . . . . . 4671 1 1717 . 1 1 156 156 ASP C C 13 176.35 0.20 . 1 . . . . . . . . 4671 1 1718 . 1 1 156 156 ASP CA C 13 53.96 0.20 . 1 . . . . . . . . 4671 1 1719 . 1 1 156 156 ASP CB C 13 40.61 0.20 . 1 . . . . . . . . 4671 1 1720 . 1 1 156 156 ASP N N 15 114.51 0.20 . 1 . . . . . . . . 4671 1 1721 . 1 1 157 157 ALA H H 1 7.72 0.02 . 1 . . . . . . . . 4671 1 1722 . 1 1 157 157 ALA HA H 1 4.15 0.02 . 1 . . . . . . . . 4671 1 1723 . 1 1 157 157 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 4671 1 1724 . 1 1 157 157 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4671 1 1725 . 1 1 157 157 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 4671 1 1726 . 1 1 157 157 ALA C C 13 177.70 0.20 . 1 . . . . . . . . 4671 1 1727 . 1 1 157 157 ALA CA C 13 52.48 0.20 . 1 . . . . . . . . 4671 1 1728 . 1 1 157 157 ALA CB C 13 19.79 0.20 . 1 . . . . . . . . 4671 1 1729 . 1 1 157 157 ALA N N 15 124.26 0.20 . 1 . . . . . . . . 4671 1 1730 . 1 1 158 158 TYR H H 1 8.67 0.02 . 1 . . . . . . . . 4671 1 1731 . 1 1 158 158 TYR HA H 1 4.06 0.02 . 1 . . . . . . . . 4671 1 1732 . 1 1 158 158 TYR HB2 H 1 3.30 0.02 . 2 . . . . . . . . 4671 1 1733 . 1 1 158 158 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4671 1 1734 . 1 1 158 158 TYR HD1 H 1 6.89 0.02 . 1 . . . . . . . . 4671 1 1735 . 1 1 158 158 TYR HD2 H 1 6.89 0.02 . 1 . . . . . . . . 4671 1 1736 . 1 1 158 158 TYR HE1 H 1 6.75 0.02 . 1 . . . . . . . . 4671 1 1737 . 1 1 158 158 TYR HE2 H 1 6.75 0.02 . 1 . . . . . . . . 4671 1 1738 . 1 1 158 158 TYR C C 13 173.44 0.20 . 1 . . . . . . . . 4671 1 1739 . 1 1 158 158 TYR CA C 13 60.08 0.20 . 1 . . . . . . . . 4671 1 1740 . 1 1 158 158 TYR CB C 13 35.16 0.20 . 1 . . . . . . . . 4671 1 1741 . 1 1 158 158 TYR N N 15 117.87 0.20 . 1 . . . . . . . . 4671 1 1742 . 1 1 159 159 ASN H H 1 7.61 0.02 . 1 . . . . . . . . 4671 1 1743 . 1 1 159 159 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4671 1 1744 . 1 1 159 159 ASN HB2 H 1 2.77 0.02 . 2 . . . . . . . . 4671 1 1745 . 1 1 159 159 ASN HB3 H 1 2.50 0.02 . 2 . . . . . . . . 4671 1 1746 . 1 1 159 159 ASN HD21 H 1 7.20 0.02 . 2 . . . . . . . . 4671 1 1747 . 1 1 159 159 ASN HD22 H 1 6.80 0.02 . 2 . . . . . . . . 4671 1 1748 . 1 1 159 159 ASN CA C 13 54.35 0.20 . 1 . . . . . . . . 4671 1 1749 . 1 1 159 159 ASN CB C 13 40.66 0.20 . 1 . . . . . . . . 4671 1 1750 . 1 1 159 159 ASN N N 15 121.61 0.20 . 1 . . . . . . . . 4671 1 1751 . 1 1 159 159 ASN ND2 N 15 112.06 0.20 . 1 . . . . . . . . 4671 1 stop_ save_ ######################## # Coupling constants # ######################## save_J_values_set_1 _Coupling_constant_list.Sf_category coupling_constants _Coupling_constant_list.Sf_framecode J_values_set_1 _Coupling_constant_list.Entry_ID 4671 _Coupling_constant_list.ID 1 _Coupling_constant_list.Sample_condition_list_ID 1 _Coupling_constant_list.Sample_condition_list_label $cond_1 _Coupling_constant_list.Spectrometer_frequency_1H 600 _Coupling_constant_list.Details . _Coupling_constant_list.Text_data_format . _Coupling_constant_list.Text_data . loop_ _Coupling_constant_experiment.Experiment_ID _Coupling_constant_experiment.Experiment_name _Coupling_constant_experiment.Sample_ID _Coupling_constant_experiment.Sample_label _Coupling_constant_experiment.Sample_state _Coupling_constant_experiment.Entry_ID _Coupling_constant_experiment.Coupling_constant_list_ID . . 1 $sample_1 . 4671 1 stop_ loop_ _Coupling_constant.ID _Coupling_constant.Code _Coupling_constant.Assembly_atom_ID_1 _Coupling_constant.Entity_assembly_ID_1 _Coupling_constant.Entity_ID_1 _Coupling_constant.Comp_index_ID_1 _Coupling_constant.Seq_ID_1 _Coupling_constant.Comp_ID_1 _Coupling_constant.Atom_ID_1 _Coupling_constant.Atom_type_1 _Coupling_constant.Atom_isotope_number_1 _Coupling_constant.Ambiguity_code_1 _Coupling_constant.Assembly_atom_ID_2 _Coupling_constant.Entity_assembly_ID_2 _Coupling_constant.Entity_ID_2 _Coupling_constant.Comp_index_ID_2 _Coupling_constant.Seq_ID_2 _Coupling_constant.Comp_ID_2 _Coupling_constant.Atom_ID_2 _Coupling_constant.Atom_type_2 _Coupling_constant.Atom_isotope_number_2 _Coupling_constant.Ambiguity_code_2 _Coupling_constant.Val _Coupling_constant.Val_min _Coupling_constant.Val_max _Coupling_constant.Val_err _Coupling_constant.Resonance_ID_1 _Coupling_constant.Resonance_ID_2 _Coupling_constant.Auth_entity_assembly_ID_1 _Coupling_constant.Auth_seq_ID_1 _Coupling_constant.Auth_comp_ID_1 _Coupling_constant.Auth_atom_ID_1 _Coupling_constant.Auth_entity_assembly_ID_2 _Coupling_constant.Auth_seq_ID_2 _Coupling_constant.Auth_comp_ID_2 _Coupling_constant.Auth_atom_ID_2 _Coupling_constant.Details _Coupling_constant.Entry_ID _Coupling_constant.Coupling_constant_list_ID 1 3JHNHA . 1 1 2 2 VAL H . . . . 1 1 2 2 VAL HA . . . 9.6 . . 1.0 . . . . . . . . . . . 4671 1 2 3JHNHA . 1 1 5 5 TYR H . . . . 1 1 5 5 TYR HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4671 1 3 3JHNHA . 1 1 6 6 GLU H . . . . 1 1 6 6 GLU HA . . . 9.1 . . 1.0 . . . . . . . . . . . 4671 1 4 3JHNHA . 1 1 7 7 SER H . . . . 1 1 7 7 SER HA . . . 8.6 . . 1.0 . . . . . . . . . . . 4671 1 5 3JHNHA . 1 1 8 8 GLU H . . . . 1 1 8 8 GLU HA . . . 8.1 . . 1.0 . . . . . . . . . . . 4671 1 6 3JHNHA . 1 1 9 9 PHE H . . . . 1 1 9 9 PHE HA . . . 9.0 . . 1.0 . . . . . . . . . . . 4671 1 7 3JHNHA . 1 1 10 10 THR H . . . . 1 1 10 10 THR HA . . . 8.9 . . 1.0 . . . . . . . . . . . 4671 1 8 3JHNHA . 1 1 11 11 SER H . . . . 1 1 11 11 SER HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 9 3JHNHA . 1 1 12 12 GLU H . . . . 1 1 12 12 GLU HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4671 1 10 3JHNHA . 1 1 13 13 ILE H . . . . 1 1 13 13 ILE HA . . . 6.6 . . 1.0 . . . . . . . . . . . 4671 1 11 3JHNHA . 1 1 17 17 ARG H . . . . 1 1 17 17 ARG HA . . . 6.3 . . 1.0 . . . . . . . . . . . 4671 1 12 3JHNHA . 1 1 18 18 LEU H . . . . 1 1 18 18 LEU HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4671 1 13 3JHNHA . 1 1 19 19 PHE H . . . . 1 1 19 19 PHE HA . . . 4.0 . . 1.0 . . . . . . . . . . . 4671 1 14 3JHNHA . 1 1 20 20 LYS H . . . . 1 1 20 20 LYS HA . . . 4.2 . . 1.0 . . . . . . . . . . . 4671 1 15 3JHNHA . 1 1 21 21 ALA H . . . . 1 1 21 21 ALA HA . . . 5.9 . . 1.0 . . . . . . . . . . . 4671 1 16 3JHNHA . 1 1 22 22 PHE H . . . . 1 1 22 22 PHE HA . . . 6.2 . . 1.0 . . . . . . . . . . . 4671 1 17 3JHNHA . 1 1 23 23 VAL H . . . . 1 1 23 23 VAL HA . . . 10.2 . . 1.0 . . . . . . . . . . . 4671 1 18 3JHNHA . 1 1 24 24 LEU H . . . . 1 1 24 24 LEU HA . . . 4.8 . . 1.0 . . . . . . . . . . . 4671 1 19 3JHNHA . 1 1 27 27 ASP H . . . . 1 1 27 27 ASP HA . . . 4.2 . . 1.0 . . . . . . . . . . . 4671 1 20 3JHNHA . 1 1 28 28 ASN H . . . . 1 1 28 28 ASN HA . . . 6.7 . . 1.0 . . . . . . . . . . . 4671 1 21 3JHNHA . 1 1 33 33 ILE H . . . . 1 1 33 33 ILE HA . . . 5.7 . . 1.0 . . . . . . . . . . . 4671 1 22 3JHNHA . 1 1 36 36 GLN H . . . . 1 1 36 36 GLN HA . . . 6.1 . . 1.0 . . . . . . . . . . . 4671 1 23 3JHNHA . 1 1 37 37 ALA H . . . . 1 1 37 37 ALA HA . . . 9.1 . . 1.0 . . . . . . . . . . . 4671 1 24 3JHNHA . 1 1 40 40 HIS H . . . . 1 1 40 40 HIS HA . . . 7.0 . . 1.0 . . . . . . . . . . . 4671 1 25 3JHNHA . 1 1 41 41 SER H . . . . 1 1 41 41 SER HA . . . 9.1 . . 1.0 . . . . . . . . . . . 4671 1 26 3JHNHA . 1 1 42 42 GLU H . . . . 1 1 42 42 GLU HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4671 1 27 3JHNHA . 1 1 43 43 ILE H . . . . 1 1 43 43 ILE HA . . . 7.3 . . 1.0 . . . . . . . . . . . 4671 1 28 3JHNHA . 1 1 44 44 LEU H . . . . 1 1 44 44 LEU HA . . . 9.2 . . 1.0 . . . . . . . . . . . 4671 1 29 3JHNHA . 1 1 45 45 GLU H . . . . 1 1 45 45 GLU HA . . . 7.4 . . 1.0 . . . . . . . . . . . 4671 1 30 3JHNHA . 1 1 47 47 ASP H . . . . 1 1 47 47 ASP HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4671 1 31 3JHNHA . 1 1 52 52 THR H . . . . 1 1 52 52 THR HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4671 1 32 3JHNHA . 1 1 53 53 ILE H . . . . 1 1 53 53 ILE HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 33 3JHNHA . 1 1 54 54 LYS H . . . . 1 1 54 54 LYS HA . . . 9.2 . . 1.0 . . . . . . . . . . . 4671 1 34 3JHNHA . 1 1 55 55 LYS H . . . . 1 1 55 55 LYS HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4671 1 35 3JHNHA . 1 1 56 56 ILE H . . . . 1 1 56 56 ILE HA . . . 9.6 . . 1.0 . . . . . . . . . . . 4671 1 36 3JHNHA . 1 1 58 58 PHE H . . . . 1 1 58 58 PHE HA . . . 7.6 . . 1.0 . . . . . . . . . . . 4671 1 37 3JHNHA . 1 1 60 60 GLU H . . . . 1 1 60 60 GLU HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4671 1 38 3JHNHA . 1 1 64 64 TYR H . . . . 1 1 64 64 TYR HA . . . 7.3 . . 1.0 . . . . . . . . . . . 4671 1 39 3JHNHA . 1 1 66 66 TYR H . . . . 1 1 66 66 TYR HA . . . 7.4 . . 1.0 . . . . . . . . . . . 4671 1 40 3JHNHA . 1 1 67 67 VAL H . . . . 1 1 67 67 VAL HA . . . 8.3 . . 1.0 . . . . . . . . . . . 4671 1 41 3JHNHA . 1 1 68 68 LYS H . . . . 1 1 68 68 LYS HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 42 3JHNHA . 1 1 69 69 HIS H . . . . 1 1 69 69 HIS HA . . . 9.2 . . 1.0 . . . . . . . . . . . 4671 1 43 3JHNHA . 1 1 70 70 LYS H . . . . 1 1 70 70 LYS HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 44 3JHNHA . 1 1 71 71 ILE H . . . . 1 1 71 71 ILE HA . . . 5.8 . . 1.0 . . . . . . . . . . . 4671 1 45 3JHNHA . 1 1 72 72 ASP H . . . . 1 1 72 72 ASP HA . . . 9.6 . . 1.0 . . . . . . . . . . . 4671 1 46 3JHNHA . 1 1 73 73 SER H . . . . 1 1 73 73 SER HA . . . 7.1 . . 1.0 . . . . . . . . . . . 4671 1 47 3JHNHA . 1 1 76 76 LYS H . . . . 1 1 76 76 LYS HA . . . 5.8 . . 1.0 . . . . . . . . . . . 4671 1 48 3JHNHA . 1 1 78 78 ASN H . . . . 1 1 78 78 ASN HA . . . 9.8 . . 1.0 . . . . . . . . . . . 4671 1 49 3JHNHA . 1 1 79 79 TYR H . . . . 1 1 79 79 TYR HA . . . 7.0 . . 1.0 . . . . . . . . . . . 4671 1 50 3JHNHA . 1 1 80 80 SER H . . . . 1 1 80 80 SER HA . . . 9.1 . . 1.0 . . . . . . . . . . . 4671 1 51 3JHNHA . 1 1 81 81 TYR H . . . . 1 1 81 81 TYR HA . . . 8.1 . . 1.0 . . . . . . . . . . . 4671 1 52 3JHNHA . 1 1 84 84 THR H . . . . 1 1 84 84 THR HA . . . 9.8 . . 1.0 . . . . . . . . . . . 4671 1 53 3JHNHA . 1 1 85 85 LEU H . . . . 1 1 85 85 LEU HA . . . 7.3 . . 1.0 . . . . . . . . . . . 4671 1 54 3JHNHA . 1 1 87 87 GLU H . . . . 1 1 87 87 GLU HA . . . 6.4 . . 1.0 . . . . . . . . . . . 4671 1 55 3JHNHA . 1 1 89 89 ASP H . . . . 1 1 89 89 ASP HA . . . 3.8 . . 1.0 . . . . . . . . . . . 4671 1 56 3JHNHA . 1 1 91 91 LEU H . . . . 1 1 91 91 LEU HA . . . 6.4 . . 1.0 . . . . . . . . . . . 4671 1 57 3JHNHA . 1 1 94 94 THR H . . . . 1 1 94 94 THR HA . . . 10.1 . . 1.0 . . . . . . . . . . . 4671 1 58 3JHNHA . 1 1 95 95 LEU H . . . . 1 1 95 95 LEU HA . . . 8.2 . . 1.0 . . . . . . . . . . . 4671 1 59 3JHNHA . 1 1 96 96 GLU H . . . . 1 1 96 96 GLU HA . . . 8.2 . . 1.0 . . . . . . . . . . . 4671 1 60 3JHNHA . 1 1 97 97 LYS H . . . . 1 1 97 97 LYS HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4671 1 61 3JHNHA . 1 1 98 98 ILE H . . . . 1 1 98 98 ILE HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4671 1 62 3JHNHA . 1 1 99 99 SER H . . . . 1 1 99 99 SER HA . . . 8.9 . . 1.0 . . . . . . . . . . . 4671 1 63 3JHNHA . 1 1 100 100 TYR H . . . . 1 1 100 100 TYR HA . . . 8.7 . . 1.0 . . . . . . . . . . . 4671 1 64 3JHNHA . 1 1 101 101 GLU H . . . . 1 1 101 101 GLU HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 65 3JHNHA . 1 1 103 103 LYS H . . . . 1 1 103 103 LYS HA . . . 8.8 . . 1.0 . . . . . . . . . . . 4671 1 66 3JHNHA . 1 1 104 104 LEU H . . . . 1 1 104 104 LEU HA . . . 9.4 . . 1.0 . . . . . . . . . . . 4671 1 67 3JHNHA . 1 1 105 105 VAL H . . . . 1 1 105 105 VAL HA . . . 9.5 . . 1.0 . . . . . . . . . . . 4671 1 68 3JHNHA . 1 1 107 107 SER H . . . . 1 1 107 107 SER HA . . . 8.1 . . 1.0 . . . . . . . . . . . 4671 1 69 3JHNHA . 1 1 112 112 SER H . . . . 1 1 112 112 SER HA . . . 8.9 . . 1.0 . . . . . . . . . . . 4671 1 70 3JHNHA . 1 1 113 113 ILE H . . . . 1 1 113 113 ILE HA . . . 9.1 . . 1.0 . . . . . . . . . . . 4671 1 71 3JHNHA . 1 1 115 115 LYS H . . . . 1 1 115 115 LYS HA . . . 9.0 . . 1.0 . . . . . . . . . . . 4671 1 72 3JHNHA . 1 1 116 116 SER H . . . . 1 1 116 116 SER HA . . . 9.3 . . 1.0 . . . . . . . . . . . 4671 1 73 3JHNHA . 1 1 117 117 THR H . . . . 1 1 117 117 THR HA . . . 9.8 . . 1.0 . . . . . . . . . . . 4671 1 74 3JHNHA . 1 1 118 118 SER H . . . . 1 1 118 118 SER HA . . . 9.6 . . 1.0 . . . . . . . . . . . 4671 1 75 3JHNHA . 1 1 119 119 HIS H . . . . 1 1 119 119 HIS HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4671 1 76 3JHNHA . 1 1 122 122 THR H . . . . 1 1 122 122 THR HA . . . 7.6 . . 1.0 . . . . . . . . . . . 4671 1 77 3JHNHA . 1 1 123 123 LYS H . . . . 1 1 123 123 LYS HA . . . 7.4 . . 1.0 . . . . . . . . . . . 4671 1 78 3JHNHA . 1 1 127 127 GLU H . . . . 1 1 127 127 GLU HA . . . 6.7 . . 1.0 . . . . . . . . . . . 4671 1 79 3JHNHA . 1 1 129 129 LYS H . . . . 1 1 129 129 LYS HA . . . 7.4 . . 1.0 . . . . . . . . . . . 4671 1 80 3JHNHA . 1 1 132 132 HIS H . . . . 1 1 132 132 HIS HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4671 1 81 3JHNHA . 1 1 133 133 VAL H . . . . 1 1 133 133 VAL HA . . . 7.6 . . 1.0 . . . . . . . . . . . 4671 1 82 3JHNHA . 1 1 137 137 LYS H . . . . 1 1 137 137 LYS HA . . . 4.6 . . 1.0 . . . . . . . . . . . 4671 1 83 3JHNHA . 1 1 139 139 LYS H . . . . 1 1 139 139 LYS HA . . . 4.8 . . 1.0 . . . . . . . . . . . 4671 1 84 3JHNHA . 1 1 141 141 SER H . . . . 1 1 141 141 SER HA . . . 4.0 . . 1.0 . . . . . . . . . . . 4671 1 85 3JHNHA . 1 1 142 142 ASN H . . . . 1 1 142 142 ASN HA . . . 4.3 . . 1.0 . . . . . . . . . . . 4671 1 86 3JHNHA . 1 1 144 144 PHE H . . . . 1 1 144 144 PHE HA . . . 4.3 . . 1.0 . . . . . . . . . . . 4671 1 87 3JHNHA . 1 1 145 145 LYS H . . . . 1 1 145 145 LYS HA . . . 4.2 . . 1.0 . . . . . . . . . . . 4671 1 88 3JHNHA . 1 1 148 148 GLU H . . . . 1 1 148 148 GLU HA . . . 3.6 . . 1.0 . . . . . . . . . . . 4671 1 89 3JHNHA . 1 1 149 149 THR H . . . . 1 1 149 149 THR HA . . . 3.8 . . 1.0 . . . . . . . . . . . 4671 1 90 3JHNHA . 1 1 150 150 TYR H . . . . 1 1 150 150 TYR HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4671 1 91 3JHNHA . 1 1 151 151 LEU H . . . . 1 1 151 151 LEU HA . . . 4.7 . . 1.0 . . . . . . . . . . . 4671 1 92 3JHNHA . 1 1 152 152 LYS H . . . . 1 1 152 152 LYS HA . . . 4.4 . . 1.0 . . . . . . . . . . . 4671 1 93 3JHNHA . 1 1 154 154 HIS H . . . . 1 1 154 154 HIS HA . . . 10.2 . . 1.0 . . . . . . . . . . . 4671 1 94 3JHNHA . 1 1 156 156 ASP H . . . . 1 1 156 156 ASP HA . . . 8.4 . . 1.0 . . . . . . . . . . . 4671 1 95 3JHNHA . 1 1 157 157 ALA H . . . . 1 1 157 157 ALA HA . . . 6.3 . . 1.0 . . . . . . . . . . . 4671 1 96 3JHNHA . 1 1 158 158 TYR H . . . . 1 1 158 158 TYR HA . . . 6.8 . . 1.0 . . . . . . . . . . . 4671 1 97 3JHNHA . 1 1 159 159 ASN H . . . . 1 1 159 159 ASN HA . . . 9.3 . . 1.0 . . . . . . . . . . . 4671 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronuclear_NOE_600 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronuclear_NOE_600 _Heteronucl_NOE_list.Entry_ID 4671 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $cond_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type 'relative intensities' _Heteronucl_NOE_list.NOE_ref_val . _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 4671 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 2 2 VAL N N 15 . 1 1 2 2 VAL H H 1 0.662 0.058 . . . . . . . . . . 4671 1 2 . 1 1 3 3 PHE N N 15 . 1 1 3 3 PHE H H 1 0.754 0.031 . . . . . . . . . . 4671 1 3 . 1 1 4 4 THR N N 15 . 1 1 4 4 THR H H 1 0.759 0.056 . . . . . . . . . . 4671 1 4 . 1 1 5 5 TYR N N 15 . 1 1 5 5 TYR H H 1 0.782 0.026 . . . . . . . . . . 4671 1 5 . 1 1 6 6 GLU N N 15 . 1 1 6 6 GLU H H 1 0.687 0.041 . . . . . . . . . . 4671 1 6 . 1 1 7 7 SER N N 15 . 1 1 7 7 SER H H 1 0.691 0.024 . . . . . . . . . . 4671 1 7 . 1 1 8 8 GLU N N 15 . 1 1 8 8 GLU H H 1 0.414 0.017 . . . . . . . . . . 4671 1 8 . 1 1 9 9 PHE N N 15 . 1 1 9 9 PHE H H 1 0.715 0.051 . . . . . . . . . . 4671 1 9 . 1 1 10 10 THR N N 15 . 1 1 10 10 THR H H 1 0.682 0.024 . . . . . . . . . . 4671 1 10 . 1 1 11 11 SER N N 15 . 1 1 11 11 SER H H 1 0.709 0.024 . . . . . . . . . . 4671 1 11 . 1 1 12 12 GLU N N 15 . 1 1 12 12 GLU H H 1 0.662 0.024 . . . . . . . . . . 4671 1 12 . 1 1 13 13 ILE N N 15 . 1 1 13 13 ILE H H 1 0.735 0.025 . . . . . . . . . . 4671 1 13 . 1 1 17 17 ARG N N 15 . 1 1 17 17 ARG H H 1 0.730 0.024 . . . . . . . . . . 4671 1 14 . 1 1 18 18 LEU N N 15 . 1 1 18 18 LEU H H 1 0.768 0.029 . . . . . . . . . . 4671 1 15 . 1 1 19 19 PHE N N 15 . 1 1 19 19 PHE H H 1 0.812 0.028 . . . . . . . . . . 4671 1 16 . 1 1 20 20 LYS N N 15 . 1 1 20 20 LYS H H 1 0.786 0.027 . . . . . . . . . . 4671 1 17 . 1 1 21 21 ALA N N 15 . 1 1 21 21 ALA H H 1 0.776 0.027 . . . . . . . . . . 4671 1 18 . 1 1 22 22 PHE N N 15 . 1 1 22 22 PHE H H 1 0.797 0.054 . . . . . . . . . . 4671 1 19 . 1 1 23 23 VAL N N 15 . 1 1 23 23 VAL H H 1 0.763 0.025 . . . . . . . . . . 4671 1 20 . 1 1 24 24 LEU N N 15 . 1 1 24 24 LEU H H 1 0.755 0.025 . . . . . . . . . . 4671 1 21 . 1 1 25 25 ASP N N 15 . 1 1 25 25 ASP H H 1 0.781 0.029 . . . . . . . . . . 4671 1 22 . 1 1 26 26 ALA N N 15 . 1 1 26 26 ALA H H 1 0.822 0.040 . . . . . . . . . . 4671 1 23 . 1 1 27 27 ASP N N 15 . 1 1 27 27 ASP H H 1 0.784 0.028 . . . . . . . . . . 4671 1 24 . 1 1 28 28 ASN N N 15 . 1 1 28 28 ASN H H 1 0.772 0.030 . . . . . . . . . . 4671 1 25 . 1 1 30 30 VAL N N 15 . 1 1 30 30 VAL H H 1 0.711 0.025 . . . . . . . . . . 4671 1 26 . 1 1 32 32 LYS N N 15 . 1 1 32 32 LYS H H 1 0.658 0.035 . . . . . . . . . . 4671 1 27 . 1 1 33 33 ILE N N 15 . 1 1 33 33 ILE H H 1 0.676 0.022 . . . . . . . . . . 4671 1 28 . 1 1 36 36 GLN N N 15 . 1 1 36 36 GLN H H 1 0.643 0.023 . . . . . . . . . . 4671 1 29 . 1 1 37 37 ALA N N 15 . 1 1 37 37 ALA H H 1 0.658 0.033 . . . . . . . . . . 4671 1 30 . 1 1 38 38 ILE N N 15 . 1 1 38 38 ILE H H 1 0.630 0.069 . . . . . . . . . . 4671 1 31 . 1 1 40 40 HIS N N 15 . 1 1 40 40 HIS H H 1 0.708 0.025 . . . . . . . . . . 4671 1 32 . 1 1 41 41 SER N N 15 . 1 1 41 41 SER H H 1 0.686 0.024 . . . . . . . . . . 4671 1 33 . 1 1 42 42 GLU N N 15 . 1 1 42 42 GLU H H 1 0.640 0.023 . . . . . . . . . . 4671 1 34 . 1 1 44 44 LEU N N 15 . 1 1 44 44 LEU H H 1 0.803 0.028 . . . . . . . . . . 4671 1 35 . 1 1 45 45 GLU N N 15 . 1 1 45 45 GLU H H 1 0.707 0.024 . . . . . . . . . . 4671 1 36 . 1 1 46 46 GLY N N 15 . 1 1 46 46 GLY H H 1 0.699 0.026 . . . . . . . . . . 4671 1 37 . 1 1 47 47 ASP N N 15 . 1 1 47 47 ASP H H 1 0.673 0.029 . . . . . . . . . . 4671 1 38 . 1 1 48 48 GLY N N 15 . 1 1 48 48 GLY H H 1 0.738 0.032 . . . . . . . . . . 4671 1 39 . 1 1 49 49 GLY N N 15 . 1 1 49 49 GLY H H 1 0.717 0.036 . . . . . . . . . . 4671 1 40 . 1 1 51 51 GLY N N 15 . 1 1 51 51 GLY H H 1 0.687 0.023 . . . . . . . . . . 4671 1 41 . 1 1 52 52 THR N N 15 . 1 1 52 52 THR H H 1 0.775 0.032 . . . . . . . . . . 4671 1 42 . 1 1 53 53 ILE N N 15 . 1 1 53 53 ILE H H 1 0.731 0.027 . . . . . . . . . . 4671 1 43 . 1 1 54 54 LYS N N 15 . 1 1 54 54 LYS H H 1 0.680 0.034 . . . . . . . . . . 4671 1 44 . 1 1 55 55 LYS N N 15 . 1 1 55 55 LYS H H 1 0.716 0.024 . . . . . . . . . . 4671 1 45 . 1 1 56 56 ILE N N 15 . 1 1 56 56 ILE H H 1 0.752 0.025 . . . . . . . . . . 4671 1 46 . 1 1 57 57 THR N N 15 . 1 1 57 57 THR H H 1 0.770 0.030 . . . . . . . . . . 4671 1 47 . 1 1 58 58 PHE N N 15 . 1 1 58 58 PHE H H 1 0.781 0.029 . . . . . . . . . . 4671 1 48 . 1 1 59 59 GLY N N 15 . 1 1 59 59 GLY H H 1 0.707 0.027 . . . . . . . . . . 4671 1 49 . 1 1 60 60 GLU N N 15 . 1 1 60 60 GLU H H 1 0.489 0.018 . . . . . . . . . . 4671 1 50 . 1 1 61 61 GLY N N 15 . 1 1 61 61 GLY H H 1 0.359 0.017 . . . . . . . . . . 4671 1 51 . 1 1 64 64 TYR N N 15 . 1 1 64 64 TYR H H 1 0.501 0.018 . . . . . . . . . . 4671 1 52 . 1 1 65 65 GLY N N 15 . 1 1 65 65 GLY H H 1 0.688 0.053 . . . . . . . . . . 4671 1 53 . 1 1 66 66 TYR N N 15 . 1 1 66 66 TYR H H 1 0.725 0.045 . . . . . . . . . . 4671 1 54 . 1 1 67 67 VAL N N 15 . 1 1 67 67 VAL H H 1 0.809 0.033 . . . . . . . . . . 4671 1 55 . 1 1 68 68 LYS N N 15 . 1 1 68 68 LYS H H 1 0.750 0.026 . . . . . . . . . . 4671 1 56 . 1 1 69 69 HIS N N 15 . 1 1 69 69 HIS H H 1 0.956 0.084 . . . . . . . . . . 4671 1 57 . 1 1 70 70 LYS N N 15 . 1 1 70 70 LYS H H 1 0.661 0.022 . . . . . . . . . . 4671 1 58 . 1 1 71 71 ILE N N 15 . 1 1 71 71 ILE H H 1 0.762 0.027 . . . . . . . . . . 4671 1 59 . 1 1 72 72 ASP N N 15 . 1 1 72 72 ASP H H 1 0.774 0.029 . . . . . . . . . . 4671 1 60 . 1 1 73 73 SER N N 15 . 1 1 73 73 SER H H 1 0.730 0.026 . . . . . . . . . . 4671 1 61 . 1 1 74 74 ILE N N 15 . 1 1 74 74 ILE H H 1 0.793 0.026 . . . . . . . . . . 4671 1 62 . 1 1 76 76 LYS N N 15 . 1 1 76 76 LYS H H 1 0.736 0.026 . . . . . . . . . . 4671 1 63 . 1 1 78 78 ASN N N 15 . 1 1 78 78 ASN H H 1 0.688 0.026 . . . . . . . . . . 4671 1 64 . 1 1 79 79 TYR N N 15 . 1 1 79 79 TYR H H 1 0.691 0.023 . . . . . . . . . . 4671 1 65 . 1 1 80 80 SER N N 15 . 1 1 80 80 SER H H 1 0.733 0.028 . . . . . . . . . . 4671 1 66 . 1 1 81 81 TYR N N 15 . 1 1 81 81 TYR H H 1 0.764 0.027 . . . . . . . . . . 4671 1 67 . 1 1 82 82 SER N N 15 . 1 1 82 82 SER H H 1 0.798 0.028 . . . . . . . . . . 4671 1 68 . 1 1 83 83 TYR N N 15 . 1 1 83 83 TYR H H 1 0.749 0.035 . . . . . . . . . . 4671 1 69 . 1 1 84 84 THR N N 15 . 1 1 84 84 THR H H 1 0.660 0.025 . . . . . . . . . . 4671 1 70 . 1 1 85 85 LEU N N 15 . 1 1 85 85 LEU H H 1 0.689 0.023 . . . . . . . . . . 4671 1 71 . 1 1 87 87 GLU N N 15 . 1 1 87 87 GLU H H 1 0.757 0.036 . . . . . . . . . . 4671 1 72 . 1 1 88 88 GLY N N 15 . 1 1 88 88 GLY H H 1 0.750 0.026 . . . . . . . . . . 4671 1 73 . 1 1 89 89 ASP N N 15 . 1 1 89 89 ASP H H 1 0.710 0.034 . . . . . . . . . . 4671 1 74 . 1 1 91 91 LEU N N 15 . 1 1 91 91 LEU H H 1 0.714 0.027 . . . . . . . . . . 4671 1 75 . 1 1 92 92 GLY N N 15 . 1 1 92 92 GLY H H 1 0.657 0.024 . . . . . . . . . . 4671 1 76 . 1 1 94 94 THR N N 15 . 1 1 94 94 THR H H 1 0.573 0.023 . . . . . . . . . . 4671 1 77 . 1 1 95 95 LEU N N 15 . 1 1 95 95 LEU H H 1 0.698 0.023 . . . . . . . . . . 4671 1 78 . 1 1 96 96 GLU N N 15 . 1 1 96 96 GLU H H 1 0.689 0.027 . . . . . . . . . . 4671 1 79 . 1 1 97 97 LYS N N 15 . 1 1 97 97 LYS H H 1 0.757 0.027 . . . . . . . . . . 4671 1 80 . 1 1 98 98 ILE N N 15 . 1 1 98 98 ILE H H 1 0.758 0.026 . . . . . . . . . . 4671 1 81 . 1 1 99 99 SER N N 15 . 1 1 99 99 SER H H 1 0.816 0.032 . . . . . . . . . . 4671 1 82 . 1 1 100 100 TYR N N 15 . 1 1 100 100 TYR H H 1 0.807 0.042 . . . . . . . . . . 4671 1 83 . 1 1 101 101 GLU N N 15 . 1 1 101 101 GLU H H 1 0.777 0.028 . . . . . . . . . . 4671 1 84 . 1 1 102 102 THR N N 15 . 1 1 102 102 THR H H 1 0.750 0.058 . . . . . . . . . . 4671 1 85 . 1 1 103 103 LYS N N 15 . 1 1 103 103 LYS H H 1 0.809 0.027 . . . . . . . . . . 4671 1 86 . 1 1 104 104 LEU N N 15 . 1 1 104 104 LEU H H 1 0.761 0.056 . . . . . . . . . . 4671 1 87 . 1 1 105 105 VAL N N 15 . 1 1 105 105 VAL H H 1 0.737 0.030 . . . . . . . . . . 4671 1 88 . 1 1 106 106 ALA N N 15 . 1 1 106 106 ALA H H 1 0.756 0.029 . . . . . . . . . . 4671 1 89 . 1 1 107 107 SER N N 15 . 1 1 107 107 SER H H 1 0.701 0.025 . . . . . . . . . . 4671 1 90 . 1 1 110 110 GLY N N 15 . 1 1 110 110 GLY H H 1 0.695 0.023 . . . . . . . . . . 4671 1 91 . 1 1 111 111 GLY N N 15 . 1 1 111 111 GLY H H 1 0.659 0.022 . . . . . . . . . . 4671 1 92 . 1 1 112 112 SER N N 15 . 1 1 112 112 SER H H 1 0.755 0.037 . . . . . . . . . . 4671 1 93 . 1 1 113 113 ILE N N 15 . 1 1 113 113 ILE H H 1 0.670 0.026 . . . . . . . . . . 4671 1 94 . 1 1 115 115 LYS N N 15 . 1 1 115 115 LYS H H 1 0.788 0.029 . . . . . . . . . . 4671 1 95 . 1 1 116 116 SER N N 15 . 1 1 116 116 SER H H 1 0.746 0.047 . . . . . . . . . . 4671 1 96 . 1 1 117 117 THR N N 15 . 1 1 117 117 THR H H 1 0.658 0.022 . . . . . . . . . . 4671 1 97 . 1 1 118 118 SER N N 15 . 1 1 118 118 SER H H 1 0.773 0.027 . . . . . . . . . . 4671 1 98 . 1 1 119 119 HIS N N 15 . 1 1 119 119 HIS H H 1 0.688 0.028 . . . . . . . . . . 4671 1 99 . 1 1 120 120 TYR N N 15 . 1 1 120 120 TYR H H 1 0.878 0.049 . . . . . . . . . . 4671 1 100 . 1 1 121 121 HIS N N 15 . 1 1 121 121 HIS H H 1 0.733 0.024 . . . . . . . . . . 4671 1 101 . 1 1 122 122 THR N N 15 . 1 1 122 122 THR H H 1 0.703 0.026 . . . . . . . . . . 4671 1 102 . 1 1 123 123 LYS N N 15 . 1 1 123 123 LYS H H 1 0.679 0.022 . . . . . . . . . . 4671 1 103 . 1 1 126 126 VAL N N 15 . 1 1 126 126 VAL H H 1 0.408 0.014 . . . . . . . . . . 4671 1 104 . 1 1 127 127 GLU N N 15 . 1 1 127 127 GLU H H 1 0.526 0.029 . . . . . . . . . . 4671 1 105 . 1 1 128 128 ILE N N 15 . 1 1 128 128 ILE H H 1 0.522 0.019 . . . . . . . . . . 4671 1 106 . 1 1 129 129 LYS N N 15 . 1 1 129 129 LYS H H 1 0.455 0.018 . . . . . . . . . . 4671 1 107 . 1 1 131 131 GLU N N 15 . 1 1 131 131 GLU H H 1 0.632 0.021 . . . . . . . . . . 4671 1 108 . 1 1 132 132 HIS N N 15 . 1 1 132 132 HIS H H 1 0.714 0.026 . . . . . . . . . . 4671 1 109 . 1 1 133 133 VAL N N 15 . 1 1 133 133 VAL H H 1 0.709 0.026 . . . . . . . . . . 4671 1 110 . 1 1 134 134 LYS N N 15 . 1 1 134 134 LYS H H 1 0.715 0.026 . . . . . . . . . . 4671 1 111 . 1 1 135 135 ALA N N 15 . 1 1 135 135 ALA H H 1 0.678 0.039 . . . . . . . . . . 4671 1 112 . 1 1 136 136 GLY N N 15 . 1 1 136 136 GLY H H 1 0.666 0.022 . . . . . . . . . . 4671 1 113 . 1 1 137 137 LYS N N 15 . 1 1 137 137 LYS H H 1 0.694 0.025 . . . . . . . . . . 4671 1 114 . 1 1 138 138 GLU N N 15 . 1 1 138 138 GLU H H 1 0.632 0.021 . . . . . . . . . . 4671 1 115 . 1 1 139 139 LYS N N 15 . 1 1 139 139 LYS H H 1 0.743 0.025 . . . . . . . . . . 4671 1 116 . 1 1 140 140 ALA N N 15 . 1 1 140 140 ALA H H 1 0.734 0.024 . . . . . . . . . . 4671 1 117 . 1 1 141 141 SER N N 15 . 1 1 141 141 SER H H 1 0.705 0.023 . . . . . . . . . . 4671 1 118 . 1 1 142 142 ASN N N 15 . 1 1 142 142 ASN H H 1 0.699 0.033 . . . . . . . . . . 4671 1 119 . 1 1 143 143 LEU N N 15 . 1 1 143 143 LEU H H 1 0.757 0.030 . . . . . . . . . . 4671 1 120 . 1 1 144 144 PHE N N 15 . 1 1 144 144 PHE H H 1 0.818 0.070 . . . . . . . . . . 4671 1 121 . 1 1 145 145 LYS N N 15 . 1 1 145 145 LYS H H 1 0.750 0.026 . . . . . . . . . . 4671 1 122 . 1 1 146 146 LEU N N 15 . 1 1 146 146 LEU H H 1 0.773 0.039 . . . . . . . . . . 4671 1 123 . 1 1 148 148 GLU N N 15 . 1 1 148 148 GLU H H 1 0.759 0.031 . . . . . . . . . . 4671 1 124 . 1 1 149 149 THR N N 15 . 1 1 149 149 THR H H 1 0.769 0.026 . . . . . . . . . . 4671 1 125 . 1 1 150 150 TYR N N 15 . 1 1 150 150 TYR H H 1 0.639 0.032 . . . . . . . . . . 4671 1 126 . 1 1 151 151 LEU N N 15 . 1 1 151 151 LEU H H 1 0.823 0.032 . . . . . . . . . . 4671 1 127 . 1 1 152 152 LYS N N 15 . 1 1 152 152 LYS H H 1 0.751 0.026 . . . . . . . . . . 4671 1 128 . 1 1 153 153 GLY N N 15 . 1 1 153 153 GLY H H 1 0.746 0.037 . . . . . . . . . . 4671 1 129 . 1 1 154 154 HIS N N 15 . 1 1 154 154 HIS H H 1 0.746 0.025 . . . . . . . . . . 4671 1 130 . 1 1 156 156 ASP N N 15 . 1 1 156 156 ASP H H 1 0.700 0.023 . . . . . . . . . . 4671 1 131 . 1 1 157 157 ALA N N 15 . 1 1 157 157 ALA H H 1 0.746 0.039 . . . . . . . . . . 4671 1 132 . 1 1 158 158 TYR N N 15 . 1 1 158 158 TYR H H 1 0.630 0.050 . . . . . . . . . . 4671 1 133 . 1 1 159 159 ASN N N 15 . 1 1 159 159 ASN H H 1 0.539 0.025 . . . . . . . . . . 4671 1 stop_ save_