data_4814 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4814 _Entry.Title ; Complete 1H, 15N, and 13C assignments of an exchangeable apolipoprotein, Locusta migratoria apolipophorin III ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-08-24 _Entry.Accession_date 2000-08-24 _Entry.Last_release_date 2001-02-14 _Entry.Original_release_date 2001-02-14 _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 Daping Fan . . . 4814 2 Leslie Reese . . . 4814 3 Xuefeng Ren . . . 4814 4 Paul Weers . M. . 4814 5 Robert Ryan . O . 4814 6 Jianjun Wang . . . 4814 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4814 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 159 4814 '1H chemical shifts' 1098 4814 '13C chemical shifts' 324 4814 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 . . 2001-02-14 2000-08-24 original author . 4814 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4814 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Complete 1H, 15N, and 13C assignments of an exchangeable apolipoprotein, Locusta migratoria apolipophorin III ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _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 83 _Citation.Page_last 84 _Citation.Year 2001 _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 Daping Fan . . . 4814 1 2 Leslie Reese . . . 4814 1 3 Xuefeng Ren . . . 4814 1 4 Paul Weers . M.M. . 4814 1 5 Robert Ryan . O . 4814 1 6 Jianjun Wang . . . 4814 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4814 1 apolipoprotein 4814 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 4814 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J. and Bax, A. (1995) NMRpipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR 6, 277-293. ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 4814 2 2 S. Grzesiek S. . . 4814 2 3 'G. W.' Vuister G. W. . 4814 2 4 G. Zhu G. . . 4814 2 5 J. Pfeifer J. . . 4814 2 6 A. Bax A. . . 4814 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_Locust_apoLp-III _Assembly.Sf_category assembly _Assembly.Sf_framecode Locust_apoLp-III _Assembly.Entry_ID 4814 _Assembly.ID 1 _Assembly.Name 'Locust apolipophorin-III' _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 4814 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 'exchangeable apolipoprotein' 1 $apoLp-III . . . native . . . . . 4814 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . pdb 1EQ1 . . . . . ; This is a NMR structure of M. sexta apoLp-III which shares 29% sequential identity with Locust apoLp-III that we report in this deposit ; 4814 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Locust apolipophorin-III' system 4814 1 'Locust apoLp-III' abbreviation 4814 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lipoprotein binding' 4814 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apoLp-III _Entity.Sf_category entity _Entity.Sf_framecode apoLp-III _Entity.Entry_ID 4814 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apolipoprotein _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 ; RPDAAGHVNIAEAVQQLNHT IVNAAHELHETLGLPTPDEA LNLLTEQANAFKTKIAEVTT SLKQEAEKHQGSVAEQLNAF ARNLNNSIHDAATSLNLQDQ LNSLQSALTNVGHQWQDIAT KTQASAQEAWAPVQSALQEA AEKTKEAAANLQNSIQSAVQ KPAN ; _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 164 _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 17501.92 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 1AEP . "Molecular Structure Of An Apolipoprotein Determined At 2.5- Angstroms Resolution" . . . . . 98.17 161 100.00 100.00 1.08e-105 . . . . 4814 1 2 no PDB 1LS4 . "Nmr Structure Of Apolipophorin-Iii From Locusta Migratoria" . . . . . 100.00 180 100.00 100.00 3.69e-109 . . . . 4814 1 3 no GB AAA29282 . "apolipophorin-III [Locusta migratoria]" . . . . . 100.00 180 100.00 100.00 3.69e-109 . . . . 4814 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID apolipoprotein common 4814 1 apoLp-III abbreviation 4814 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 . ARG . 4814 1 2 . PRO . 4814 1 3 . ASP . 4814 1 4 . ALA . 4814 1 5 . ALA . 4814 1 6 . GLY . 4814 1 7 . HIS . 4814 1 8 . VAL . 4814 1 9 . ASN . 4814 1 10 . ILE . 4814 1 11 . ALA . 4814 1 12 . GLU . 4814 1 13 . ALA . 4814 1 14 . VAL . 4814 1 15 . GLN . 4814 1 16 . GLN . 4814 1 17 . LEU . 4814 1 18 . ASN . 4814 1 19 . HIS . 4814 1 20 . THR . 4814 1 21 . ILE . 4814 1 22 . VAL . 4814 1 23 . ASN . 4814 1 24 . ALA . 4814 1 25 . ALA . 4814 1 26 . HIS . 4814 1 27 . GLU . 4814 1 28 . LEU . 4814 1 29 . HIS . 4814 1 30 . GLU . 4814 1 31 . THR . 4814 1 32 . LEU . 4814 1 33 . GLY . 4814 1 34 . LEU . 4814 1 35 . PRO . 4814 1 36 . THR . 4814 1 37 . PRO . 4814 1 38 . ASP . 4814 1 39 . GLU . 4814 1 40 . ALA . 4814 1 41 . LEU . 4814 1 42 . ASN . 4814 1 43 . LEU . 4814 1 44 . LEU . 4814 1 45 . THR . 4814 1 46 . GLU . 4814 1 47 . GLN . 4814 1 48 . ALA . 4814 1 49 . ASN . 4814 1 50 . ALA . 4814 1 51 . PHE . 4814 1 52 . LYS . 4814 1 53 . THR . 4814 1 54 . LYS . 4814 1 55 . ILE . 4814 1 56 . ALA . 4814 1 57 . GLU . 4814 1 58 . VAL . 4814 1 59 . THR . 4814 1 60 . THR . 4814 1 61 . SER . 4814 1 62 . LEU . 4814 1 63 . LYS . 4814 1 64 . GLN . 4814 1 65 . GLU . 4814 1 66 . ALA . 4814 1 67 . GLU . 4814 1 68 . LYS . 4814 1 69 . HIS . 4814 1 70 . GLN . 4814 1 71 . GLY . 4814 1 72 . SER . 4814 1 73 . VAL . 4814 1 74 . ALA . 4814 1 75 . GLU . 4814 1 76 . GLN . 4814 1 77 . LEU . 4814 1 78 . ASN . 4814 1 79 . ALA . 4814 1 80 . PHE . 4814 1 81 . ALA . 4814 1 82 . ARG . 4814 1 83 . ASN . 4814 1 84 . LEU . 4814 1 85 . ASN . 4814 1 86 . ASN . 4814 1 87 . SER . 4814 1 88 . ILE . 4814 1 89 . HIS . 4814 1 90 . ASP . 4814 1 91 . ALA . 4814 1 92 . ALA . 4814 1 93 . THR . 4814 1 94 . SER . 4814 1 95 . LEU . 4814 1 96 . ASN . 4814 1 97 . LEU . 4814 1 98 . GLN . 4814 1 99 . ASP . 4814 1 100 . GLN . 4814 1 101 . LEU . 4814 1 102 . ASN . 4814 1 103 . SER . 4814 1 104 . LEU . 4814 1 105 . GLN . 4814 1 106 . SER . 4814 1 107 . ALA . 4814 1 108 . LEU . 4814 1 109 . THR . 4814 1 110 . ASN . 4814 1 111 . VAL . 4814 1 112 . GLY . 4814 1 113 . HIS . 4814 1 114 . GLN . 4814 1 115 . TRP . 4814 1 116 . GLN . 4814 1 117 . ASP . 4814 1 118 . ILE . 4814 1 119 . ALA . 4814 1 120 . THR . 4814 1 121 . LYS . 4814 1 122 . THR . 4814 1 123 . GLN . 4814 1 124 . ALA . 4814 1 125 . SER . 4814 1 126 . ALA . 4814 1 127 . GLN . 4814 1 128 . GLU . 4814 1 129 . ALA . 4814 1 130 . TRP . 4814 1 131 . ALA . 4814 1 132 . PRO . 4814 1 133 . VAL . 4814 1 134 . GLN . 4814 1 135 . SER . 4814 1 136 . ALA . 4814 1 137 . LEU . 4814 1 138 . GLN . 4814 1 139 . GLU . 4814 1 140 . ALA . 4814 1 141 . ALA . 4814 1 142 . GLU . 4814 1 143 . LYS . 4814 1 144 . THR . 4814 1 145 . LYS . 4814 1 146 . GLU . 4814 1 147 . ALA . 4814 1 148 . ALA . 4814 1 149 . ALA . 4814 1 150 . ASN . 4814 1 151 . LEU . 4814 1 152 . GLN . 4814 1 153 . ASN . 4814 1 154 . SER . 4814 1 155 . ILE . 4814 1 156 . GLN . 4814 1 157 . SER . 4814 1 158 . ALA . 4814 1 159 . VAL . 4814 1 160 . GLN . 4814 1 161 . LYS . 4814 1 162 . PRO . 4814 1 163 . ALA . 4814 1 164 . ASN . 4814 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 . ARG 1 1 4814 1 . PRO 2 2 4814 1 . ASP 3 3 4814 1 . ALA 4 4 4814 1 . ALA 5 5 4814 1 . GLY 6 6 4814 1 . HIS 7 7 4814 1 . VAL 8 8 4814 1 . ASN 9 9 4814 1 . ILE 10 10 4814 1 . ALA 11 11 4814 1 . GLU 12 12 4814 1 . ALA 13 13 4814 1 . VAL 14 14 4814 1 . GLN 15 15 4814 1 . GLN 16 16 4814 1 . LEU 17 17 4814 1 . ASN 18 18 4814 1 . HIS 19 19 4814 1 . THR 20 20 4814 1 . ILE 21 21 4814 1 . VAL 22 22 4814 1 . ASN 23 23 4814 1 . ALA 24 24 4814 1 . ALA 25 25 4814 1 . HIS 26 26 4814 1 . GLU 27 27 4814 1 . LEU 28 28 4814 1 . HIS 29 29 4814 1 . GLU 30 30 4814 1 . THR 31 31 4814 1 . LEU 32 32 4814 1 . GLY 33 33 4814 1 . LEU 34 34 4814 1 . PRO 35 35 4814 1 . THR 36 36 4814 1 . PRO 37 37 4814 1 . ASP 38 38 4814 1 . GLU 39 39 4814 1 . ALA 40 40 4814 1 . LEU 41 41 4814 1 . ASN 42 42 4814 1 . LEU 43 43 4814 1 . LEU 44 44 4814 1 . THR 45 45 4814 1 . GLU 46 46 4814 1 . GLN 47 47 4814 1 . ALA 48 48 4814 1 . ASN 49 49 4814 1 . ALA 50 50 4814 1 . PHE 51 51 4814 1 . LYS 52 52 4814 1 . THR 53 53 4814 1 . LYS 54 54 4814 1 . ILE 55 55 4814 1 . ALA 56 56 4814 1 . GLU 57 57 4814 1 . VAL 58 58 4814 1 . THR 59 59 4814 1 . THR 60 60 4814 1 . SER 61 61 4814 1 . LEU 62 62 4814 1 . LYS 63 63 4814 1 . GLN 64 64 4814 1 . GLU 65 65 4814 1 . ALA 66 66 4814 1 . GLU 67 67 4814 1 . LYS 68 68 4814 1 . HIS 69 69 4814 1 . GLN 70 70 4814 1 . GLY 71 71 4814 1 . SER 72 72 4814 1 . VAL 73 73 4814 1 . ALA 74 74 4814 1 . GLU 75 75 4814 1 . GLN 76 76 4814 1 . LEU 77 77 4814 1 . ASN 78 78 4814 1 . ALA 79 79 4814 1 . PHE 80 80 4814 1 . ALA 81 81 4814 1 . ARG 82 82 4814 1 . ASN 83 83 4814 1 . LEU 84 84 4814 1 . ASN 85 85 4814 1 . ASN 86 86 4814 1 . SER 87 87 4814 1 . ILE 88 88 4814 1 . HIS 89 89 4814 1 . ASP 90 90 4814 1 . ALA 91 91 4814 1 . ALA 92 92 4814 1 . THR 93 93 4814 1 . SER 94 94 4814 1 . LEU 95 95 4814 1 . ASN 96 96 4814 1 . LEU 97 97 4814 1 . GLN 98 98 4814 1 . ASP 99 99 4814 1 . GLN 100 100 4814 1 . LEU 101 101 4814 1 . ASN 102 102 4814 1 . SER 103 103 4814 1 . LEU 104 104 4814 1 . GLN 105 105 4814 1 . SER 106 106 4814 1 . ALA 107 107 4814 1 . LEU 108 108 4814 1 . THR 109 109 4814 1 . ASN 110 110 4814 1 . VAL 111 111 4814 1 . GLY 112 112 4814 1 . HIS 113 113 4814 1 . GLN 114 114 4814 1 . TRP 115 115 4814 1 . GLN 116 116 4814 1 . ASP 117 117 4814 1 . ILE 118 118 4814 1 . ALA 119 119 4814 1 . THR 120 120 4814 1 . LYS 121 121 4814 1 . THR 122 122 4814 1 . GLN 123 123 4814 1 . ALA 124 124 4814 1 . SER 125 125 4814 1 . ALA 126 126 4814 1 . GLN 127 127 4814 1 . GLU 128 128 4814 1 . ALA 129 129 4814 1 . TRP 130 130 4814 1 . ALA 131 131 4814 1 . PRO 132 132 4814 1 . VAL 133 133 4814 1 . GLN 134 134 4814 1 . SER 135 135 4814 1 . ALA 136 136 4814 1 . LEU 137 137 4814 1 . GLN 138 138 4814 1 . GLU 139 139 4814 1 . ALA 140 140 4814 1 . ALA 141 141 4814 1 . GLU 142 142 4814 1 . LYS 143 143 4814 1 . THR 144 144 4814 1 . LYS 145 145 4814 1 . GLU 146 146 4814 1 . ALA 147 147 4814 1 . ALA 148 148 4814 1 . ALA 149 149 4814 1 . ASN 150 150 4814 1 . LEU 151 151 4814 1 . GLN 152 152 4814 1 . ASN 153 153 4814 1 . SER 154 154 4814 1 . ILE 155 155 4814 1 . GLN 156 156 4814 1 . SER 157 157 4814 1 . ALA 158 158 4814 1 . VAL 159 159 4814 1 . GLN 160 160 4814 1 . LYS 161 161 4814 1 . PRO 162 162 4814 1 . ALA 163 163 4814 1 . ASN 164 164 4814 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 4814 _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 $apoLp-III . 7004 organism . 'Locusta migratoria' . . . Eukaryota Metazoa Locusta migratoria . . . . . . . . . . . . . . . . . . . . . 4814 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 4814 _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 $apoLp-III . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL-21 DE3 . . . . . . . . . . . . . . . . . . . . . 4814 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4814 _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 apolipoprotein '[U-99% 13C; U-99% 15N]' . . 1 $apoLp-III . . . 0.6 1.0 mM . . . . 4814 1 stop_ save_ ####################### # Sample conditions # ####################### save_Normal-Cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Normal-Cond _Sample_condition_list.Entry_ID 4814 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.4 0.1 n/a 4814 1 temperature 303 1 K 4814 1 'ionic strength' 0.25 0.01 M 4814 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 4814 _Software.ID 1 _Software.Name NMRPIPE _Software.Version 1.7 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral processing' 4814 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $ref_1 4814 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 4814 _Software.ID 2 _Software.Name PIPP _Software.Version 4.2.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Spectral assignment' 4814 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 4814 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4814 _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 Varian INOVA . 500 . . . 4814 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 4814 _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 'A 5 mm triple-resonance probe with z-gradient. The above pulse sequences are from Dr.' . . . . . . . . . . . 1 $sample_1 . . . 1 $Normal-Cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4814 1 2 'Lewis Kay's laboratory at the University of Toronto' . . . . . . . . . . . 1 $sample_1 . . . 1 $Normal-Cond . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 4814 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 4814 _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 . . . . . . . . . . 4814 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4814 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4814 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_apoIII_locust_shift _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode apoIII_locust_shift _Assigned_chem_shift_list.Entry_ID 4814 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Normal-Cond _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 . 4814 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 ARG N N 15 125.542 0.05 . . . . . . . . . . 4814 1 2 . 1 1 1 1 ARG H H 1 8.175 0.02 . . . . . . . . . . 4814 1 3 . 1 1 1 1 ARG CA C 13 53.740 0.05 . . . . . . . . . . 4814 1 4 . 1 1 1 1 ARG HA H 1 4.600 0.02 . . . . . . . . . . 4814 1 5 . 1 1 1 1 ARG CB C 13 30.460 0.05 . . . . . . . . . . 4814 1 6 . 1 1 1 1 ARG HB3 H 1 1.820 0.02 . . . . . . . . . . 4814 1 7 . 1 1 1 1 ARG HB2 H 1 1.800 0.02 . . . . . . . . . . 4814 1 8 . 1 1 1 1 ARG HG3 H 1 1.700 0.02 . . . . . . . . . . 4814 1 9 . 1 1 1 1 ARG HG2 H 1 1.660 0.02 . . . . . . . . . . 4814 1 10 . 1 1 1 1 ARG HD3 H 1 3.190 0.02 . . . . . . . . . . 4814 1 11 . 1 1 1 1 ARG HD2 H 1 3.180 0.02 . . . . . . . . . . 4814 1 12 . 1 1 2 2 PRO CA C 13 63.310 0.05 . . . . . . . . . . 4814 1 13 . 1 1 2 2 PRO HA H 1 4.505 0.02 . . . . . . . . . . 4814 1 14 . 1 1 2 2 PRO CB C 13 31.885 0.05 . . . . . . . . . . 4814 1 15 . 1 1 2 2 PRO HB3 H 1 2.510 0.02 . . . . . . . . . . 4814 1 16 . 1 1 2 2 PRO HB2 H 1 2.470 0.02 . . . . . . . . . . 4814 1 17 . 1 1 2 2 PRO HG3 H 1 2.440 0.02 . . . . . . . . . . 4814 1 18 . 1 1 2 2 PRO HG2 H 1 2.430 0.02 . . . . . . . . . . 4814 1 19 . 1 1 3 3 ASP N N 15 119.595 0.05 . . . . . . . . . . 4814 1 20 . 1 1 3 3 ASP H H 1 8.341 0.02 . . . . . . . . . . 4814 1 21 . 1 1 3 3 ASP CA C 13 54.157 0.05 . . . . . . . . . . 4814 1 22 . 1 1 3 3 ASP HA H 1 4.390 0.02 . . . . . . . . . . 4814 1 23 . 1 1 3 3 ASP CB C 13 40.967 0.05 . . . . . . . . . . 4814 1 24 . 1 1 3 3 ASP HB3 H 1 2.650 0.02 . . . . . . . . . . 4814 1 25 . 1 1 3 3 ASP HB2 H 1 2.630 0.02 . . . . . . . . . . 4814 1 26 . 1 1 4 4 ALA N N 15 124.192 0.05 . . . . . . . . . . 4814 1 27 . 1 1 4 4 ALA H H 1 8.153 0.02 . . . . . . . . . . 4814 1 28 . 1 1 4 4 ALA CA C 13 52.610 0.05 . . . . . . . . . . 4814 1 29 . 1 1 4 4 ALA HA H 1 4.170 0.02 . . . . . . . . . . 4814 1 30 . 1 1 4 4 ALA CB C 13 19.217 0.05 . . . . . . . . . . 4814 1 31 . 1 1 4 4 ALA HB1 H 1 1.480 0.02 . . . . . . . . . . 4814 1 32 . 1 1 4 4 ALA HB2 H 1 1.480 0.02 . . . . . . . . . . 4814 1 33 . 1 1 4 4 ALA HB3 H 1 1.480 0.02 . . . . . . . . . . 4814 1 34 . 1 1 5 5 ALA N N 15 122.703 0.05 . . . . . . . . . . 4814 1 35 . 1 1 5 5 ALA H H 1 8.162 0.02 . . . . . . . . . . 4814 1 36 . 1 1 5 5 ALA CA C 13 52.603 0.05 . . . . . . . . . . 4814 1 37 . 1 1 5 5 ALA HA H 1 4.265 0.02 . . . . . . . . . . 4814 1 38 . 1 1 5 5 ALA CB C 13 19.167 0.05 . . . . . . . . . . 4814 1 39 . 1 1 5 5 ALA HB1 H 1 1.350 0.02 . . . . . . . . . . 4814 1 40 . 1 1 5 5 ALA HB2 H 1 1.350 0.02 . . . . . . . . . . 4814 1 41 . 1 1 5 5 ALA HB3 H 1 1.350 0.02 . . . . . . . . . . 4814 1 42 . 1 1 6 6 GLY N N 15 107.488 0.05 . . . . . . . . . . 4814 1 43 . 1 1 6 6 GLY H H 1 8.184 0.02 . . . . . . . . . . 4814 1 44 . 1 1 6 6 GLY CA C 13 45.273 0.05 . . . . . . . . . . 4814 1 45 . 1 1 6 6 GLY HA3 H 1 3.860 0.02 . . . . . . . . . . 4814 1 46 . 1 1 6 6 GLY HA2 H 1 3.860 0.02 . . . . . . . . . . 4814 1 47 . 1 1 7 7 HIS N N 15 118.761 0.05 . . . . . . . . . . 4814 1 48 . 1 1 7 7 HIS H H 1 8.118 0.02 . . . . . . . . . . 4814 1 49 . 1 1 7 7 HIS CA C 13 55.800 0.05 . . . . . . . . . . 4814 1 50 . 1 1 7 7 HIS HA H 1 4.330 0.02 . . . . . . . . . . 4814 1 51 . 1 1 7 7 HIS CB C 13 30.370 0.05 . . . . . . . . . . 4814 1 52 . 1 1 7 7 HIS HB3 H 1 3.840 0.02 . . . . . . . . . . 4814 1 53 . 1 1 7 7 HIS HB2 H 1 3.670 0.02 . . . . . . . . . . 4814 1 54 . 1 1 7 7 HIS HD2 H 1 7.530 0.02 . . . . . . . . . . 4814 1 55 . 1 1 8 8 VAL N N 15 121.773 0.05 . . . . . . . . . . 4814 1 56 . 1 1 8 8 VAL H H 1 8.147 0.02 . . . . . . . . . . 4814 1 57 . 1 1 8 8 VAL CA C 13 62.083 0.05 . . . . . . . . . . 4814 1 58 . 1 1 8 8 VAL HA H 1 4.055 0.02 . . . . . . . . . . 4814 1 59 . 1 1 8 8 VAL CB C 13 33.020 0.05 . . . . . . . . . . 4814 1 60 . 1 1 8 8 VAL HB H 1 1.960 0.02 . . . . . . . . . . 4814 1 61 . 1 1 8 8 VAL HG11 H 1 0.870 0.02 . . . . . . . . . . 4814 1 62 . 1 1 8 8 VAL HG12 H 1 0.870 0.02 . . . . . . . . . . 4814 1 63 . 1 1 8 8 VAL HG13 H 1 0.870 0.02 . . . . . . . . . . 4814 1 64 . 1 1 8 8 VAL HG21 H 1 0.830 0.02 . . . . . . . . . . 4814 1 65 . 1 1 8 8 VAL HG22 H 1 0.830 0.02 . . . . . . . . . . 4814 1 66 . 1 1 8 8 VAL HG23 H 1 0.830 0.02 . . . . . . . . . . 4814 1 67 . 1 1 9 9 ASN N N 15 122.966 0.05 . . . . . . . . . . 4814 1 68 . 1 1 9 9 ASN H H 1 8.546 0.02 . . . . . . . . . . 4814 1 69 . 1 1 9 9 ASN CA C 13 52.700 0.05 . . . . . . . . . . 4814 1 70 . 1 1 9 9 ASN HA H 1 4.720 0.02 . . . . . . . . . . 4814 1 71 . 1 1 9 9 ASN CB C 13 39.060 0.05 . . . . . . . . . . 4814 1 72 . 1 1 9 9 ASN HB3 H 1 2.925 0.02 . . . . . . . . . . 4814 1 73 . 1 1 9 9 ASN HB2 H 1 2.815 0.02 . . . . . . . . . . 4814 1 74 . 1 1 9 9 ASN HD21 H 1 7.870 0.02 . . . . . . . . . . 4814 1 75 . 1 1 9 9 ASN HD22 H 1 6.640 0.02 . . . . . . . . . . 4814 1 76 . 1 1 10 10 ILE N N 15 122.465 0.05 . . . . . . . . . . 4814 1 77 . 1 1 10 10 ILE H H 1 8.689 0.02 . . . . . . . . . . 4814 1 78 . 1 1 10 10 ILE CA C 13 61.850 0.05 . . . . . . . . . . 4814 1 79 . 1 1 10 10 ILE HA H 1 4.085 0.02 . . . . . . . . . . 4814 1 80 . 1 1 10 10 ILE CB C 13 37.770 0.05 . . . . . . . . . . 4814 1 81 . 1 1 10 10 ILE HB H 1 1.988 0.02 . . . . . . . . . . 4814 1 82 . 1 1 10 10 ILE HG13 H 1 1.410 0.02 . . . . . . . . . . 4814 1 83 . 1 1 10 10 ILE HG12 H 1 1.305 0.02 . . . . . . . . . . 4814 1 84 . 1 1 10 10 ILE HD11 H 1 0.850 0.02 . . . . . . . . . . 4814 1 85 . 1 1 10 10 ILE HD12 H 1 0.850 0.02 . . . . . . . . . . 4814 1 86 . 1 1 10 10 ILE HD13 H 1 0.850 0.02 . . . . . . . . . . 4814 1 87 . 1 1 10 10 ILE HG21 H 1 0.875 0.02 . . . . . . . . . . 4814 1 88 . 1 1 10 10 ILE HG22 H 1 0.875 0.02 . . . . . . . . . . 4814 1 89 . 1 1 10 10 ILE HG23 H 1 0.875 0.02 . . . . . . . . . . 4814 1 90 . 1 1 11 11 ALA N N 15 123.815 0.05 . . . . . . . . . . 4814 1 91 . 1 1 11 11 ALA H H 1 8.168 0.02 . . . . . . . . . . 4814 1 92 . 1 1 11 11 ALA CA C 13 55.860 0.05 . . . . . . . . . . 4814 1 93 . 1 1 11 11 ALA HA H 1 3.855 0.02 . . . . . . . . . . 4814 1 94 . 1 1 11 11 ALA CB C 13 18.010 0.05 . . . . . . . . . . 4814 1 95 . 1 1 11 11 ALA HB1 H 1 1.400 0.02 . . . . . . . . . . 4814 1 96 . 1 1 11 11 ALA HB2 H 1 1.400 0.02 . . . . . . . . . . 4814 1 97 . 1 1 11 11 ALA HB3 H 1 1.400 0.02 . . . . . . . . . . 4814 1 98 . 1 1 12 12 GLU N N 15 119.074 0.05 . . . . . . . . . . 4814 1 99 . 1 1 12 12 GLU H H 1 7.968 0.02 . . . . . . . . . . 4814 1 100 . 1 1 12 12 GLU CA C 13 59.070 0.05 . . . . . . . . . . 4814 1 101 . 1 1 12 12 GLU HA H 1 4.010 0.02 . . . . . . . . . . 4814 1 102 . 1 1 12 12 GLU CB C 13 29.377 0.05 . . . . . . . . . . 4814 1 103 . 1 1 12 12 GLU HB3 H 1 2.000 0.02 . . . . . . . . . . 4814 1 104 . 1 1 12 12 GLU HB2 H 1 1.950 0.02 . . . . . . . . . . 4814 1 105 . 1 1 12 12 GLU HG3 H 1 2.250 0.02 . . . . . . . . . . 4814 1 106 . 1 1 12 12 GLU HG2 H 1 2.210 0.02 . . . . . . . . . . 4814 1 107 . 1 1 13 13 ALA N N 15 122.502 0.05 . . . . . . . . . . 4814 1 108 . 1 1 13 13 ALA H H 1 7.980 0.02 . . . . . . . . . . 4814 1 109 . 1 1 13 13 ALA CA C 13 54.967 0.05 . . . . . . . . . . 4814 1 110 . 1 1 13 13 ALA HA H 1 4.015 0.02 . . . . . . . . . . 4814 1 111 . 1 1 13 13 ALA CB C 13 17.800 0.05 . . . . . . . . . . 4814 1 112 . 1 1 13 13 ALA HB1 H 1 1.340 0.02 . . . . . . . . . . 4814 1 113 . 1 1 13 13 ALA HB2 H 1 1.340 0.02 . . . . . . . . . . 4814 1 114 . 1 1 13 13 ALA HB3 H 1 1.340 0.02 . . . . . . . . . . 4814 1 115 . 1 1 14 14 VAL N N 15 118.260 0.05 . . . . . . . . . . 4814 1 116 . 1 1 14 14 VAL H H 1 8.449 0.02 . . . . . . . . . . 4814 1 117 . 1 1 14 14 VAL CA C 13 66.500 0.05 . . . . . . . . . . 4814 1 118 . 1 1 14 14 VAL HA H 1 3.515 0.02 . . . . . . . . . . 4814 1 119 . 1 1 14 14 VAL CB C 13 31.380 0.05 . . . . . . . . . . 4814 1 120 . 1 1 14 14 VAL HB H 1 2.110 0.02 . . . . . . . . . . 4814 1 121 . 1 1 14 14 VAL HG11 H 1 1.115 0.02 . . . . . . . . . . 4814 1 122 . 1 1 14 14 VAL HG12 H 1 1.115 0.02 . . . . . . . . . . 4814 1 123 . 1 1 14 14 VAL HG13 H 1 1.115 0.02 . . . . . . . . . . 4814 1 124 . 1 1 14 14 VAL HG21 H 1 0.970 0.02 . . . . . . . . . . 4814 1 125 . 1 1 14 14 VAL HG22 H 1 0.970 0.02 . . . . . . . . . . 4814 1 126 . 1 1 14 14 VAL HG23 H 1 0.970 0.02 . . . . . . . . . . 4814 1 127 . 1 1 15 15 GLN N N 15 123.374 0.05 . . . . . . . . . . 4814 1 128 . 1 1 15 15 GLN H H 1 8.100 0.02 . . . . . . . . . . 4814 1 129 . 1 1 15 15 GLN CA C 13 59.560 0.05 . . . . . . . . . . 4814 1 130 . 1 1 15 15 GLN HA H 1 4.115 0.02 . . . . . . . . . . 4814 1 131 . 1 1 15 15 GLN CB C 13 28.163 0.05 . . . . . . . . . . 4814 1 132 . 1 1 15 15 GLN HB3 H 1 2.210 0.02 . . . . . . . . . . 4814 1 133 . 1 1 15 15 GLN HB2 H 1 2.175 0.02 . . . . . . . . . . 4814 1 134 . 1 1 15 15 GLN HG3 H 1 2.425 0.02 . . . . . . . . . . 4814 1 135 . 1 1 15 15 GLN HG2 H 1 2.345 0.02 . . . . . . . . . . 4814 1 136 . 1 1 15 15 GLN HE21 H 1 7.020 0.02 . . . . . . . . . . 4814 1 137 . 1 1 15 15 GLN HE22 H 1 7.445 0.02 . . . . . . . . . . 4814 1 138 . 1 1 16 16 GLN N N 15 118.229 0.05 . . . . . . . . . . 4814 1 139 . 1 1 16 16 GLN H H 1 7.976 0.02 . . . . . . . . . . 4814 1 140 . 1 1 16 16 GLN CA C 13 58.697 0.05 . . . . . . . . . . 4814 1 141 . 1 1 16 16 GLN HA H 1 4.085 0.02 . . . . . . . . . . 4814 1 142 . 1 1 16 16 GLN CB C 13 28.170 0.05 . . . . . . . . . . 4814 1 143 . 1 1 16 16 GLN HB3 H 1 2.070 0.02 . . . . . . . . . . 4814 1 144 . 1 1 16 16 GLN HB2 H 1 1.960 0.02 . . . . . . . . . . 4814 1 145 . 1 1 16 16 GLN HG3 H 1 2.390 0.02 . . . . . . . . . . 4814 1 146 . 1 1 16 16 GLN HG2 H 1 2.270 0.02 . . . . . . . . . . 4814 1 147 . 1 1 16 16 GLN HE22 H 1 7.240 0.02 . . . . . . . . . . 4814 1 148 . 1 1 17 17 LEU N N 15 122.506 0.05 . . . . . . . . . . 4814 1 149 . 1 1 17 17 LEU H H 1 8.157 0.02 . . . . . . . . . . 4814 1 150 . 1 1 17 17 LEU CA C 13 58.733 0.05 . . . . . . . . . . 4814 1 151 . 1 1 17 17 LEU HA H 1 4.075 0.02 . . . . . . . . . . 4814 1 152 . 1 1 17 17 LEU CB C 13 41.755 0.05 . . . . . . . . . . 4814 1 153 . 1 1 17 17 LEU HB3 H 1 1.998 0.02 . . . . . . . . . . 4814 1 154 . 1 1 17 17 LEU HB2 H 1 1.960 0.02 . . . . . . . . . . 4814 1 155 . 1 1 17 17 LEU HG H 1 2.115 0.02 . . . . . . . . . . 4814 1 156 . 1 1 17 17 LEU HD11 H 1 0.532 0.02 . . . . . . . . . . 4814 1 157 . 1 1 17 17 LEU HD12 H 1 0.532 0.02 . . . . . . . . . . 4814 1 158 . 1 1 17 17 LEU HD13 H 1 0.532 0.02 . . . . . . . . . . 4814 1 159 . 1 1 17 17 LEU HD21 H 1 0.385 0.02 . . . . . . . . . . 4814 1 160 . 1 1 17 17 LEU HD22 H 1 0.385 0.02 . . . . . . . . . . 4814 1 161 . 1 1 17 17 LEU HD23 H 1 0.385 0.02 . . . . . . . . . . 4814 1 162 . 1 1 18 18 ASN N N 15 119.104 0.05 . . . . . . . . . . 4814 1 163 . 1 1 18 18 ASN H H 1 8.741 0.02 . . . . . . . . . . 4814 1 164 . 1 1 18 18 ASN CA C 13 57.333 0.05 . . . . . . . . . . 4814 1 165 . 1 1 18 18 ASN HA H 1 4.365 0.02 . . . . . . . . . . 4814 1 166 . 1 1 18 18 ASN CB C 13 38.747 0.05 . . . . . . . . . . 4814 1 167 . 1 1 18 18 ASN HB3 H 1 2.777 0.02 . . . . . . . . . . 4814 1 168 . 1 1 18 18 ASN HB2 H 1 2.735 0.02 . . . . . . . . . . 4814 1 169 . 1 1 19 19 HIS N N 15 118.746 0.05 . . . . . . . . . . 4814 1 170 . 1 1 19 19 HIS H H 1 7.999 0.02 . . . . . . . . . . 4814 1 171 . 1 1 19 19 HIS CA C 13 59.350 0.05 . . . . . . . . . . 4814 1 172 . 1 1 19 19 HIS HA H 1 4.350 0.02 . . . . . . . . . . 4814 1 173 . 1 1 19 19 HIS CB C 13 29.773 0.05 . . . . . . . . . . 4814 1 174 . 1 1 19 19 HIS HB3 H 1 3.280 0.02 . . . . . . . . . . 4814 1 175 . 1 1 19 19 HIS HB2 H 1 3.235 0.02 . . . . . . . . . . 4814 1 176 . 1 1 19 19 HIS HD1 H 1 7.250 0.02 . . . . . . . . . . 4814 1 177 . 1 1 20 20 THR N N 15 116.205 0.05 . . . . . . . . . . 4814 1 178 . 1 1 20 20 THR H H 1 7.859 0.02 . . . . . . . . . . 4814 1 179 . 1 1 20 20 THR CA C 13 67.200 0.05 . . . . . . . . . . 4814 1 180 . 1 1 20 20 THR HA H 1 4.280 0.02 . . . . . . . . . . 4814 1 181 . 1 1 20 20 THR CB C 13 68.665 0.05 . . . . . . . . . . 4814 1 182 . 1 1 20 20 THR HB H 1 3.977 0.02 . . . . . . . . . . 4814 1 183 . 1 1 20 20 THR HG21 H 1 1.280 0.02 . . . . . . . . . . 4814 1 184 . 1 1 20 20 THR HG22 H 1 1.280 0.02 . . . . . . . . . . 4814 1 185 . 1 1 20 20 THR HG23 H 1 1.280 0.02 . . . . . . . . . . 4814 1 186 . 1 1 21 21 ILE N N 15 122.703 0.05 . . . . . . . . . . 4814 1 187 . 1 1 21 21 ILE H H 1 8.586 0.02 . . . . . . . . . . 4814 1 188 . 1 1 21 21 ILE CA C 13 66.420 0.05 . . . . . . . . . . 4814 1 189 . 1 1 21 21 ILE HA H 1 3.465 0.02 . . . . . . . . . . 4814 1 190 . 1 1 21 21 ILE CB C 13 37.570 0.05 . . . . . . . . . . 4814 1 191 . 1 1 21 21 ILE HB H 1 2.062 0.02 . . . . . . . . . . 4814 1 192 . 1 1 21 21 ILE HG12 H 1 1.015 0.02 . . . . . . . . . . 4814 1 193 . 1 1 21 21 ILE HD11 H 1 0.853 0.02 . . . . . . . . . . 4814 1 194 . 1 1 21 21 ILE HD12 H 1 0.853 0.02 . . . . . . . . . . 4814 1 195 . 1 1 21 21 ILE HD13 H 1 0.853 0.02 . . . . . . . . . . 4814 1 196 . 1 1 22 22 VAL N N 15 119.977 0.05 . . . . . . . . . . 4814 1 197 . 1 1 22 22 VAL H H 1 8.197 0.02 . . . . . . . . . . 4814 1 198 . 1 1 22 22 VAL CA C 13 66.613 0.05 . . . . . . . . . . 4814 1 199 . 1 1 22 22 VAL HA H 1 4.350 0.02 . . . . . . . . . . 4814 1 200 . 1 1 22 22 VAL CB C 13 31.485 0.05 . . . . . . . . . . 4814 1 201 . 1 1 22 22 VAL HB H 1 2.077 0.02 . . . . . . . . . . 4814 1 202 . 1 1 22 22 VAL HG11 H 1 1.025 0.02 . . . . . . . . . . 4814 1 203 . 1 1 22 22 VAL HG12 H 1 1.025 0.02 . . . . . . . . . . 4814 1 204 . 1 1 22 22 VAL HG13 H 1 1.025 0.02 . . . . . . . . . . 4814 1 205 . 1 1 22 22 VAL HG21 H 1 0.850 0.02 . . . . . . . . . . 4814 1 206 . 1 1 22 22 VAL HG22 H 1 0.850 0.02 . . . . . . . . . . 4814 1 207 . 1 1 22 22 VAL HG23 H 1 0.850 0.02 . . . . . . . . . . 4814 1 208 . 1 1 23 23 ASN N N 15 119.097 0.05 . . . . . . . . . . 4814 1 209 . 1 1 23 23 ASN H H 1 7.608 0.02 . . . . . . . . . . 4814 1 210 . 1 1 23 23 ASN CA C 13 56.033 0.05 . . . . . . . . . . 4814 1 211 . 1 1 23 23 ASN HA H 1 4.458 0.02 . . . . . . . . . . 4814 1 212 . 1 1 23 23 ASN CB C 13 37.730 0.05 . . . . . . . . . . 4814 1 213 . 1 1 23 23 ASN HB3 H 1 2.853 0.02 . . . . . . . . . . 4814 1 214 . 1 1 23 23 ASN HB2 H 1 2.782 0.02 . . . . . . . . . . 4814 1 215 . 1 1 23 23 ASN HD21 H 1 7.480 0.02 . . . . . . . . . . 4814 1 216 . 1 1 23 23 ASN HD22 H 1 6.500 0.02 . . . . . . . . . . 4814 1 217 . 1 1 24 24 ALA N N 15 124.174 0.05 . . . . . . . . . . 4814 1 218 . 1 1 24 24 ALA H H 1 8.645 0.02 . . . . . . . . . . 4814 1 219 . 1 1 24 24 ALA CA C 13 55.803 0.05 . . . . . . . . . . 4814 1 220 . 1 1 24 24 ALA HA H 1 3.848 0.02 . . . . . . . . . . 4814 1 221 . 1 1 24 24 ALA CB C 13 18.113 0.05 . . . . . . . . . . 4814 1 222 . 1 1 24 24 ALA HB1 H 1 1.398 0.02 . . . . . . . . . . 4814 1 223 . 1 1 24 24 ALA HB2 H 1 1.398 0.02 . . . . . . . . . . 4814 1 224 . 1 1 24 24 ALA HB3 H 1 1.398 0.02 . . . . . . . . . . 4814 1 225 . 1 1 25 25 ALA N N 15 118.720 0.05 . . . . . . . . . . 4814 1 226 . 1 1 25 25 ALA H H 1 8.668 0.02 . . . . . . . . . . 4814 1 227 . 1 1 25 25 ALA CA C 13 55.107 0.05 . . . . . . . . . . 4814 1 228 . 1 1 25 25 ALA HA H 1 3.843 0.02 . . . . . . . . . . 4814 1 229 . 1 1 25 25 ALA CB C 13 17.707 0.05 . . . . . . . . . . 4814 1 230 . 1 1 25 25 ALA HB1 H 1 1.477 0.02 . . . . . . . . . . 4814 1 231 . 1 1 25 25 ALA HB2 H 1 1.477 0.02 . . . . . . . . . . 4814 1 232 . 1 1 25 25 ALA HB3 H 1 1.477 0.02 . . . . . . . . . . 4814 1 233 . 1 1 26 26 HIS N N 15 115.889 0.05 . . . . . . . . . . 4814 1 234 . 1 1 26 26 HIS H H 1 7.971 0.02 . . . . . . . . . . 4814 1 235 . 1 1 26 26 HIS CA C 13 58.703 0.05 . . . . . . . . . . 4814 1 236 . 1 1 26 26 HIS HA H 1 4.420 0.02 . . . . . . . . . . 4814 1 237 . 1 1 26 26 HIS CB C 13 29.270 0.05 . . . . . . . . . . 4814 1 238 . 1 1 26 26 HIS HB3 H 1 3.363 0.02 . . . . . . . . . . 4814 1 239 . 1 1 26 26 HIS HB2 H 1 3.330 0.02 . . . . . . . . . . 4814 1 240 . 1 1 26 26 HIS HD1 H 1 7.870 0.02 . . . . . . . . . . 4814 1 241 . 1 1 26 26 HIS HE1 H 1 7.190 0.02 . . . . . . . . . . 4814 1 242 . 1 1 27 27 GLU N N 15 120.040 0.05 . . . . . . . . . . 4814 1 243 . 1 1 27 27 GLU H H 1 8.014 0.02 . . . . . . . . . . 4814 1 244 . 1 1 27 27 GLU CA C 13 57.833 0.05 . . . . . . . . . . 4814 1 245 . 1 1 27 27 GLU HA H 1 4.067 0.02 . . . . . . . . . . 4814 1 246 . 1 1 27 27 GLU CB C 13 29.310 0.05 . . . . . . . . . . 4814 1 247 . 1 1 27 27 GLU HB3 H 1 2.180 0.02 . . . . . . . . . . 4814 1 248 . 1 1 27 27 GLU HB2 H 1 2.065 0.02 . . . . . . . . . . 4814 1 249 . 1 1 27 27 GLU HG3 H 1 2.480 0.02 . . . . . . . . . . 4814 1 250 . 1 1 27 27 GLU HG2 H 1 2.440 0.02 . . . . . . . . . . 4814 1 251 . 1 1 28 28 LEU N N 15 116.069 0.05 . . . . . . . . . . 4814 1 252 . 1 1 28 28 LEU H H 1 7.647 0.02 . . . . . . . . . . 4814 1 253 . 1 1 28 28 LEU CA C 13 57.905 0.05 . . . . . . . . . . 4814 1 254 . 1 1 28 28 LEU HA H 1 3.838 0.02 . . . . . . . . . . 4814 1 255 . 1 1 28 28 LEU CB C 13 41.930 0.05 . . . . . . . . . . 4814 1 256 . 1 1 28 28 LEU HB3 H 1 2.037 0.02 . . . . . . . . . . 4814 1 257 . 1 1 28 28 LEU HB2 H 1 1.990 0.02 . . . . . . . . . . 4814 1 258 . 1 1 28 28 LEU HG H 1 1.893 0.02 . . . . . . . . . . 4814 1 259 . 1 1 28 28 LEU HD11 H 1 0.816 0.02 . . . . . . . . . . 4814 1 260 . 1 1 28 28 LEU HD12 H 1 0.816 0.02 . . . . . . . . . . 4814 1 261 . 1 1 28 28 LEU HD13 H 1 0.816 0.02 . . . . . . . . . . 4814 1 262 . 1 1 28 28 LEU HD21 H 1 0.704 0.02 . . . . . . . . . . 4814 1 263 . 1 1 28 28 LEU HD22 H 1 0.704 0.02 . . . . . . . . . . 4814 1 264 . 1 1 28 28 LEU HD23 H 1 0.704 0.02 . . . . . . . . . . 4814 1 265 . 1 1 29 29 HIS N N 15 116.209 0.05 . . . . . . . . . . 4814 1 266 . 1 1 29 29 HIS H H 1 7.724 0.02 . . . . . . . . . . 4814 1 267 . 1 1 29 29 HIS CA C 13 59.257 0.05 . . . . . . . . . . 4814 1 268 . 1 1 29 29 HIS HA H 1 4.120 0.02 . . . . . . . . . . 4814 1 269 . 1 1 29 29 HIS CB C 13 28.933 0.05 . . . . . . . . . . 4814 1 270 . 1 1 29 29 HIS HB3 H 1 3.220 0.02 . . . . . . . . . . 4814 1 271 . 1 1 29 29 HIS HB2 H 1 3.197 0.02 . . . . . . . . . . 4814 1 272 . 1 1 29 29 HIS HD1 H 1 7.710 0.02 . . . . . . . . . . 4814 1 273 . 1 1 29 29 HIS HE1 H 1 7.190 0.02 . . . . . . . . . . 4814 1 274 . 1 1 30 30 GLU N N 15 118.378 0.05 . . . . . . . . . . 4814 1 275 . 1 1 30 30 GLU H H 1 8.058 0.02 . . . . . . . . . . 4814 1 276 . 1 1 30 30 GLU CA C 13 57.800 0.05 . . . . . . . . . . 4814 1 277 . 1 1 30 30 GLU HA H 1 4.090 0.02 . . . . . . . . . . 4814 1 278 . 1 1 30 30 GLU CB C 13 29.303 0.05 . . . . . . . . . . 4814 1 279 . 1 1 30 30 GLU HB3 H 1 2.147 0.02 . . . . . . . . . . 4814 1 280 . 1 1 30 30 GLU HB2 H 1 2.030 0.02 . . . . . . . . . . 4814 1 281 . 1 1 30 30 GLU HG3 H 1 2.430 0.02 . . . . . . . . . . 4814 1 282 . 1 1 30 30 GLU HG2 H 1 2.410 0.02 . . . . . . . . . . 4814 1 283 . 1 1 31 31 THR N N 15 110.465 0.05 . . . . . . . . . . 4814 1 284 . 1 1 31 31 THR H H 1 7.804 0.02 . . . . . . . . . . 4814 1 285 . 1 1 31 31 THR CA C 13 65.200 0.05 . . . . . . . . . . 4814 1 286 . 1 1 31 31 THR HA H 1 4.100 0.02 . . . . . . . . . . 4814 1 287 . 1 1 31 31 THR CB C 13 68.940 0.05 . . . . . . . . . . 4814 1 288 . 1 1 31 31 THR HB H 1 3.797 0.02 . . . . . . . . . . 4814 1 289 . 1 1 31 31 THR HG21 H 1 1.270 0.02 . . . . . . . . . . 4814 1 290 . 1 1 31 31 THR HG22 H 1 1.270 0.02 . . . . . . . . . . 4814 1 291 . 1 1 31 31 THR HG23 H 1 1.270 0.02 . . . . . . . . . . 4814 1 292 . 1 1 32 32 LEU N N 15 118.451 0.05 . . . . . . . . . . 4814 1 293 . 1 1 32 32 LEU H H 1 7.178 0.02 . . . . . . . . . . 4814 1 294 . 1 1 32 32 LEU CA C 13 56.360 0.05 . . . . . . . . . . 4814 1 295 . 1 1 32 32 LEU HA H 1 4.075 0.02 . . . . . . . . . . 4814 1 296 . 1 1 32 32 LEU CB C 13 40.585 0.05 . . . . . . . . . . 4814 1 297 . 1 1 32 32 LEU HB3 H 1 1.583 0.02 . . . . . . . . . . 4814 1 298 . 1 1 32 32 LEU HB2 H 1 1.570 0.02 . . . . . . . . . . 4814 1 299 . 1 1 32 32 LEU HD11 H 1 0.877 0.02 . . . . . . . . . . 4814 1 300 . 1 1 32 32 LEU HD12 H 1 0.877 0.02 . . . . . . . . . . 4814 1 301 . 1 1 32 32 LEU HD13 H 1 0.877 0.02 . . . . . . . . . . 4814 1 302 . 1 1 32 32 LEU HD21 H 1 0.780 0.02 . . . . . . . . . . 4814 1 303 . 1 1 32 32 LEU HD22 H 1 0.780 0.02 . . . . . . . . . . 4814 1 304 . 1 1 32 32 LEU HD23 H 1 0.780 0.02 . . . . . . . . . . 4814 1 305 . 1 1 33 33 GLY N N 15 104.729 0.05 . . . . . . . . . . 4814 1 306 . 1 1 33 33 GLY H H 1 7.636 0.02 . . . . . . . . . . 4814 1 307 . 1 1 33 33 GLY CA C 13 44.867 0.05 . . . . . . . . . . 4814 1 308 . 1 1 33 33 GLY HA3 H 1 4.200 0.02 . . . . . . . . . . 4814 1 309 . 1 1 33 33 GLY HA2 H 1 3.740 0.02 . . . . . . . . . . 4814 1 310 . 1 1 34 34 LEU N N 15 121.406 0.05 . . . . . . . . . . 4814 1 311 . 1 1 34 34 LEU H H 1 7.168 0.02 . . . . . . . . . . 4814 1 312 . 1 1 34 34 LEU CA C 13 54.220 0.05 . . . . . . . . . . 4814 1 313 . 1 1 34 34 LEU HA H 1 4.525 0.02 . . . . . . . . . . 4814 1 314 . 1 1 34 34 LEU CB C 13 40.540 0.05 . . . . . . . . . . 4814 1 315 . 1 1 34 34 LEU HD21 H 1 0.870 0.02 . . . . . . . . . . 4814 1 316 . 1 1 34 34 LEU HD22 H 1 0.870 0.02 . . . . . . . . . . 4814 1 317 . 1 1 34 34 LEU HD23 H 1 0.870 0.02 . . . . . . . . . . 4814 1 318 . 1 1 34 34 LEU HD11 H 1 0.950 0.02 . . . . . . . . . . 4814 1 319 . 1 1 34 34 LEU HD12 H 1 0.950 0.02 . . . . . . . . . . 4814 1 320 . 1 1 34 34 LEU HD13 H 1 0.950 0.02 . . . . . . . . . . 4814 1 321 . 1 1 35 35 PRO CA C 13 65.210 0.05 . . . . . . . . . . 4814 1 322 . 1 1 35 35 PRO CB C 13 32.310 0.05 . . . . . . . . . . 4814 1 323 . 1 1 35 35 PRO HB3 H 1 2.290 0.02 . . . . . . . . . . 4814 1 324 . 1 1 35 35 PRO HB2 H 1 2.160 0.02 . . . . . . . . . . 4814 1 325 . 1 1 35 35 PRO HG3 H 1 2.110 0.02 . . . . . . . . . . 4814 1 326 . 1 1 35 35 PRO HG2 H 1 2.070 0.02 . . . . . . . . . . 4814 1 327 . 1 1 35 35 PRO HD3 H 1 3.870 0.02 . . . . . . . . . . 4814 1 328 . 1 1 35 35 PRO HD2 H 1 3.740 0.02 . . . . . . . . . . 4814 1 329 . 1 1 36 36 THR N N 15 106.631 0.05 . . . . . . . . . . 4814 1 330 . 1 1 36 36 THR H H 1 7.187 0.02 . . . . . . . . . . 4814 1 331 . 1 1 36 36 THR CA C 13 57.970 0.05 . . . . . . . . . . 4814 1 332 . 1 1 36 36 THR HA H 1 4.925 0.02 . . . . . . . . . . 4814 1 333 . 1 1 36 36 THR CB C 13 70.250 0.05 . . . . . . . . . . 4814 1 334 . 1 1 36 36 THR HB H 1 4.443 0.02 . . . . . . . . . . 4814 1 335 . 1 1 36 36 THR HG21 H 1 1.270 0.02 . . . . . . . . . . 4814 1 336 . 1 1 36 36 THR HG22 H 1 1.270 0.02 . . . . . . . . . . 4814 1 337 . 1 1 36 36 THR HG23 H 1 1.270 0.02 . . . . . . . . . . 4814 1 338 . 1 1 37 37 PRO CA C 13 64.485 0.05 . . . . . . . . . . 4814 1 339 . 1 1 37 37 PRO CB C 13 31.855 0.05 . . . . . . . . . . 4814 1 340 . 1 1 37 37 PRO HB3 H 1 2.340 0.02 . . . . . . . . . . 4814 1 341 . 1 1 37 37 PRO HB2 H 1 2.150 0.02 . . . . . . . . . . 4814 1 342 . 1 1 37 37 PRO HG3 H 1 2.080 0.02 . . . . . . . . . . 4814 1 343 . 1 1 37 37 PRO HG2 H 1 2.040 0.02 . . . . . . . . . . 4814 1 344 . 1 1 37 37 PRO HD3 H 1 3.940 0.02 . . . . . . . . . . 4814 1 345 . 1 1 37 37 PRO HD2 H 1 3.840 0.02 . . . . . . . . . . 4814 1 346 . 1 1 38 38 ASP N N 15 116.528 0.05 . . . . . . . . . . 4814 1 347 . 1 1 38 38 ASP H H 1 8.317 0.02 . . . . . . . . . . 4814 1 348 . 1 1 38 38 ASP CA C 13 57.117 0.05 . . . . . . . . . . 4814 1 349 . 1 1 38 38 ASP HA H 1 4.357 0.02 . . . . . . . . . . 4814 1 350 . 1 1 38 38 ASP CB C 13 40.293 0.05 . . . . . . . . . . 4814 1 351 . 1 1 38 38 ASP HB3 H 1 2.600 0.02 . . . . . . . . . . 4814 1 352 . 1 1 38 38 ASP HB2 H 1 2.550 0.02 . . . . . . . . . . 4814 1 353 . 1 1 39 39 GLU N N 15 119.226 0.05 . . . . . . . . . . 4814 1 354 . 1 1 39 39 GLU H H 1 7.725 0.02 . . . . . . . . . . 4814 1 355 . 1 1 39 39 GLU CA C 13 59.130 0.05 . . . . . . . . . . 4814 1 356 . 1 1 39 39 GLU HA H 1 4.093 0.02 . . . . . . . . . . 4814 1 357 . 1 1 39 39 GLU CB C 13 30.000 0.05 . . . . . . . . . . 4814 1 358 . 1 1 39 39 GLU HB3 H 1 2.080 0.02 . . . . . . . . . . 4814 1 359 . 1 1 39 39 GLU HB2 H 1 2.037 0.02 . . . . . . . . . . 4814 1 360 . 1 1 39 39 GLU HG3 H 1 2.307 0.02 . . . . . . . . . . 4814 1 361 . 1 1 39 39 GLU HG2 H 1 2.267 0.02 . . . . . . . . . . 4814 1 362 . 1 1 40 40 ALA N N 15 122.489 0.05 . . . . . . . . . . 4814 1 363 . 1 1 40 40 ALA H H 1 7.455 0.02 . . . . . . . . . . 4814 1 364 . 1 1 40 40 ALA CA C 13 55.287 0.05 . . . . . . . . . . 4814 1 365 . 1 1 40 40 ALA HA H 1 3.970 0.02 . . . . . . . . . . 4814 1 366 . 1 1 40 40 ALA CB C 13 19.303 0.05 . . . . . . . . . . 4814 1 367 . 1 1 40 40 ALA HB1 H 1 1.530 0.02 . . . . . . . . . . 4814 1 368 . 1 1 40 40 ALA HB2 H 1 1.530 0.02 . . . . . . . . . . 4814 1 369 . 1 1 40 40 ALA HB3 H 1 1.530 0.02 . . . . . . . . . . 4814 1 370 . 1 1 41 41 LEU N N 15 118.450 0.05 . . . . . . . . . . 4814 1 371 . 1 1 41 41 LEU H H 1 8.511 0.02 . . . . . . . . . . 4814 1 372 . 1 1 41 41 LEU CA C 13 58.233 0.05 . . . . . . . . . . 4814 1 373 . 1 1 41 41 LEU HA H 1 3.930 0.02 . . . . . . . . . . 4814 1 374 . 1 1 41 41 LEU CB C 13 41.707 0.05 . . . . . . . . . . 4814 1 375 . 1 1 41 41 LEU HB3 H 1 1.575 0.02 . . . . . . . . . . 4814 1 376 . 1 1 41 41 LEU HB2 H 1 1.510 0.02 . . . . . . . . . . 4814 1 377 . 1 1 41 41 LEU HG H 1 1.920 0.02 . . . . . . . . . . 4814 1 378 . 1 1 41 41 LEU HD11 H 1 0.877 0.02 . . . . . . . . . . 4814 1 379 . 1 1 41 41 LEU HD12 H 1 0.877 0.02 . . . . . . . . . . 4814 1 380 . 1 1 41 41 LEU HD13 H 1 0.877 0.02 . . . . . . . . . . 4814 1 381 . 1 1 41 41 LEU HD21 H 1 0.790 0.02 . . . . . . . . . . 4814 1 382 . 1 1 41 41 LEU HD22 H 1 0.790 0.02 . . . . . . . . . . 4814 1 383 . 1 1 41 41 LEU HD23 H 1 0.790 0.02 . . . . . . . . . . 4814 1 384 . 1 1 42 42 ASN N N 15 119.161 0.05 . . . . . . . . . . 4814 1 385 . 1 1 42 42 ASN H H 1 8.174 0.02 . . . . . . . . . . 4814 1 386 . 1 1 42 42 ASN CA C 13 56.537 0.05 . . . . . . . . . . 4814 1 387 . 1 1 42 42 ASN HA H 1 4.390 0.02 . . . . . . . . . . 4814 1 388 . 1 1 42 42 ASN CB C 13 38.190 0.05 . . . . . . . . . . 4814 1 389 . 1 1 42 42 ASN HB3 H 1 2.838 0.02 . . . . . . . . . . 4814 1 390 . 1 1 42 42 ASN HB2 H 1 2.810 0.02 . . . . . . . . . . 4814 1 391 . 1 1 43 43 LEU N N 15 121.223 0.05 . . . . . . . . . . 4814 1 392 . 1 1 43 43 LEU H H 1 7.714 0.02 . . . . . . . . . . 4814 1 393 . 1 1 43 43 LEU CA C 13 57.977 0.05 . . . . . . . . . . 4814 1 394 . 1 1 43 43 LEU HA H 1 4.268 0.02 . . . . . . . . . . 4814 1 395 . 1 1 43 43 LEU CB C 13 41.905 0.05 . . . . . . . . . . 4814 1 396 . 1 1 43 43 LEU HB3 H 1 1.720 0.02 . . . . . . . . . . 4814 1 397 . 1 1 43 43 LEU HB2 H 1 1.690 0.02 . . . . . . . . . . 4814 1 398 . 1 1 43 43 LEU HG H 1 1.867 0.02 . . . . . . . . . . 4814 1 399 . 1 1 43 43 LEU HD21 H 1 0.788 0.02 . . . . . . . . . . 4814 1 400 . 1 1 43 43 LEU HD22 H 1 0.788 0.02 . . . . . . . . . . 4814 1 401 . 1 1 43 43 LEU HD23 H 1 0.788 0.02 . . . . . . . . . . 4814 1 402 . 1 1 43 43 LEU HD11 H 1 0.890 0.02 . . . . . . . . . . 4814 1 403 . 1 1 43 43 LEU HD12 H 1 0.890 0.02 . . . . . . . . . . 4814 1 404 . 1 1 43 43 LEU HD13 H 1 0.890 0.02 . . . . . . . . . . 4814 1 405 . 1 1 44 44 LEU N N 15 117.844 0.05 . . . . . . . . . . 4814 1 406 . 1 1 44 44 LEU H H 1 8.460 0.02 . . . . . . . . . . 4814 1 407 . 1 1 44 44 LEU CA C 13 58.083 0.05 . . . . . . . . . . 4814 1 408 . 1 1 44 44 LEU HA H 1 4.470 0.02 . . . . . . . . . . 4814 1 409 . 1 1 44 44 LEU CB C 13 42.523 0.05 . . . . . . . . . . 4814 1 410 . 1 1 44 44 LEU HB3 H 1 1.860 0.02 . . . . . . . . . . 4814 1 411 . 1 1 44 44 LEU HB2 H 1 1.830 0.02 . . . . . . . . . . 4814 1 412 . 1 1 44 44 LEU HG H 1 1.720 0.02 . . . . . . . . . . 4814 1 413 . 1 1 44 44 LEU HD11 H 1 0.880 0.02 . . . . . . . . . . 4814 1 414 . 1 1 44 44 LEU HD12 H 1 0.880 0.02 . . . . . . . . . . 4814 1 415 . 1 1 44 44 LEU HD13 H 1 0.880 0.02 . . . . . . . . . . 4814 1 416 . 1 1 44 44 LEU HD21 H 1 0.790 0.02 . . . . . . . . . . 4814 1 417 . 1 1 44 44 LEU HD22 H 1 0.790 0.02 . . . . . . . . . . 4814 1 418 . 1 1 44 44 LEU HD23 H 1 0.790 0.02 . . . . . . . . . . 4814 1 419 . 1 1 45 45 THR N N 15 115.488 0.05 . . . . . . . . . . 4814 1 420 . 1 1 45 45 THR H H 1 8.571 0.02 . . . . . . . . . . 4814 1 421 . 1 1 45 45 THR CA C 13 67.127 0.05 . . . . . . . . . . 4814 1 422 . 1 1 45 45 THR HA H 1 3.875 0.02 . . . . . . . . . . 4814 1 423 . 1 1 45 45 THR CB C 13 68.617 0.05 . . . . . . . . . . 4814 1 424 . 1 1 45 45 THR HB H 1 3.833 0.02 . . . . . . . . . . 4814 1 425 . 1 1 45 45 THR HG21 H 1 1.228 0.02 . . . . . . . . . . 4814 1 426 . 1 1 45 45 THR HG22 H 1 1.228 0.02 . . . . . . . . . . 4814 1 427 . 1 1 45 45 THR HG23 H 1 1.228 0.02 . . . . . . . . . . 4814 1 428 . 1 1 46 46 GLU N N 15 121.787 0.05 . . . . . . . . . . 4814 1 429 . 1 1 46 46 GLU H H 1 8.080 0.02 . . . . . . . . . . 4814 1 430 . 1 1 46 46 GLU CA C 13 59.753 0.05 . . . . . . . . . . 4814 1 431 . 1 1 46 46 GLU HA H 1 4.380 0.02 . . . . . . . . . . 4814 1 432 . 1 1 46 46 GLU CB C 13 29.815 0.05 . . . . . . . . . . 4814 1 433 . 1 1 46 46 GLU HB3 H 1 2.240 0.02 . . . . . . . . . . 4814 1 434 . 1 1 46 46 GLU HB2 H 1 2.155 0.02 . . . . . . . . . . 4814 1 435 . 1 1 46 46 GLU HG3 H 1 2.390 0.02 . . . . . . . . . . 4814 1 436 . 1 1 46 46 GLU HG2 H 1 2.390 0.02 . . . . . . . . . . 4814 1 437 . 1 1 47 47 GLN N N 15 116.996 0.05 . . . . . . . . . . 4814 1 438 . 1 1 47 47 GLN H H 1 8.623 0.02 . . . . . . . . . . 4814 1 439 . 1 1 47 47 GLN CA C 13 57.420 0.05 . . . . . . . . . . 4814 1 440 . 1 1 47 47 GLN HA H 1 4.120 0.02 . . . . . . . . . . 4814 1 441 . 1 1 47 47 GLN CB C 13 27.237 0.05 . . . . . . . . . . 4814 1 442 . 1 1 47 47 GLN HB3 H 1 2.145 0.02 . . . . . . . . . . 4814 1 443 . 1 1 47 47 GLN HB2 H 1 1.890 0.02 . . . . . . . . . . 4814 1 444 . 1 1 47 47 GLN HG3 H 1 2.265 0.02 . . . . . . . . . . 4814 1 445 . 1 1 47 47 GLN HG2 H 1 2.255 0.02 . . . . . . . . . . 4814 1 446 . 1 1 47 47 GLN HE21 H 1 7.550 0.02 . . . . . . . . . . 4814 1 447 . 1 1 47 47 GLN HE22 H 1 6.750 0.02 . . . . . . . . . . 4814 1 448 . 1 1 48 48 ALA N N 15 125.152 0.05 . . . . . . . . . . 4814 1 449 . 1 1 48 48 ALA H H 1 9.182 0.02 . . . . . . . . . . 4814 1 450 . 1 1 48 48 ALA CA C 13 55.737 0.05 . . . . . . . . . . 4814 1 451 . 1 1 48 48 ALA HA H 1 4.130 0.02 . . . . . . . . . . 4814 1 452 . 1 1 48 48 ALA CB C 13 18.830 0.05 . . . . . . . . . . 4814 1 453 . 1 1 48 48 ALA HB1 H 1 1.583 0.02 . . . . . . . . . . 4814 1 454 . 1 1 48 48 ALA HB2 H 1 1.583 0.02 . . . . . . . . . . 4814 1 455 . 1 1 48 48 ALA HB3 H 1 1.583 0.02 . . . . . . . . . . 4814 1 456 . 1 1 49 49 ASN N N 15 116.694 0.05 . . . . . . . . . . 4814 1 457 . 1 1 49 49 ASN H H 1 8.113 0.02 . . . . . . . . . . 4814 1 458 . 1 1 49 49 ASN CA C 13 56.340 0.05 . . . . . . . . . . 4814 1 459 . 1 1 49 49 ASN HA H 1 3.790 0.02 . . . . . . . . . . 4814 1 460 . 1 1 49 49 ASN CB C 13 38.110 0.05 . . . . . . . . . . 4814 1 461 . 1 1 49 49 ASN HB3 H 1 2.930 0.02 . . . . . . . . . . 4814 1 462 . 1 1 49 49 ASN HB2 H 1 2.850 0.02 . . . . . . . . . . 4814 1 463 . 1 1 49 49 ASN HD21 H 1 7.587 0.02 . . . . . . . . . . 4814 1 464 . 1 1 49 49 ASN HD22 H 1 6.973 0.02 . . . . . . . . . . 4814 1 465 . 1 1 50 50 ALA N N 15 124.239 0.05 . . . . . . . . . . 4814 1 466 . 1 1 50 50 ALA H H 1 8.107 0.02 . . . . . . . . . . 4814 1 467 . 1 1 50 50 ALA CA C 13 55.433 0.05 . . . . . . . . . . 4814 1 468 . 1 1 50 50 ALA HA H 1 4.186 0.02 . . . . . . . . . . 4814 1 469 . 1 1 50 50 ALA CB C 13 17.870 0.05 . . . . . . . . . . 4814 1 470 . 1 1 50 50 ALA HB1 H 1 1.563 0.02 . . . . . . . . . . 4814 1 471 . 1 1 50 50 ALA HB2 H 1 1.563 0.02 . . . . . . . . . . 4814 1 472 . 1 1 50 50 ALA HB3 H 1 1.563 0.02 . . . . . . . . . . 4814 1 473 . 1 1 51 51 PHE N N 15 119.596 0.05 . . . . . . . . . . 4814 1 474 . 1 1 51 51 PHE H H 1 8.218 0.02 . . . . . . . . . . 4814 1 475 . 1 1 51 51 PHE CA C 13 61.977 0.05 . . . . . . . . . . 4814 1 476 . 1 1 51 51 PHE HA H 1 4.310 0.02 . . . . . . . . . . 4814 1 477 . 1 1 51 51 PHE CB C 13 39.650 0.05 . . . . . . . . . . 4814 1 478 . 1 1 51 51 PHE HB3 H 1 3.287 0.02 . . . . . . . . . . 4814 1 479 . 1 1 51 51 PHE HB2 H 1 3.147 0.02 . . . . . . . . . . 4814 1 480 . 1 1 51 51 PHE HE2 H 1 7.610 0.02 . 3 . . . . . . . . 4814 1 481 . 1 1 51 51 PHE HD2 H 1 7.060 0.02 . 3 . . . . . . . . 4814 1 482 . 1 1 52 52 LYS N N 15 118.271 0.05 . . . . . . . . . . 4814 1 483 . 1 1 52 52 LYS H H 1 8.608 0.02 . . . . . . . . . . 4814 1 484 . 1 1 52 52 LYS CA C 13 60.650 0.05 . . . . . . . . . . 4814 1 485 . 1 1 52 52 LYS HA H 1 3.652 0.02 . . . . . . . . . . 4814 1 486 . 1 1 52 52 LYS CB C 13 32.363 0.05 . . . . . . . . . . 4814 1 487 . 1 1 52 52 LYS HB3 H 1 1.990 0.02 . . . . . . . . . . 4814 1 488 . 1 1 52 52 LYS HB2 H 1 1.800 0.02 . . . . . . . . . . 4814 1 489 . 1 1 52 52 LYS HG3 H 1 1.395 0.02 . . . . . . . . . . 4814 1 490 . 1 1 52 52 LYS HG2 H 1 1.355 0.02 . . . . . . . . . . 4814 1 491 . 1 1 52 52 LYS HD3 H 1 1.610 0.02 . . . . . . . . . . 4814 1 492 . 1 1 52 52 LYS HD2 H 1 1.570 0.02 . . . . . . . . . . 4814 1 493 . 1 1 52 52 LYS HE3 H 1 3.110 0.02 . . . . . . . . . . 4814 1 494 . 1 1 52 52 LYS HE2 H 1 2.935 0.02 . . . . . . . . . . 4814 1 495 . 1 1 53 53 THR N N 15 115.864 0.05 . . . . . . . . . . 4814 1 496 . 1 1 53 53 THR H H 1 8.179 0.02 . . . . . . . . . . 4814 1 497 . 1 1 53 53 THR CA C 13 66.893 0.05 . . . . . . . . . . 4814 1 498 . 1 1 53 53 THR HA H 1 4.307 0.02 . . . . . . . . . . 4814 1 499 . 1 1 53 53 THR CB C 13 68.613 0.05 . . . . . . . . . . 4814 1 500 . 1 1 53 53 THR HB H 1 3.900 0.02 . . . . . . . . . . 4814 1 501 . 1 1 53 53 THR HG21 H 1 1.232 0.02 . . . . . . . . . . 4814 1 502 . 1 1 53 53 THR HG22 H 1 1.232 0.02 . . . . . . . . . . 4814 1 503 . 1 1 53 53 THR HG23 H 1 1.232 0.02 . . . . . . . . . . 4814 1 504 . 1 1 54 54 LYS N N 15 121.651 0.05 . . . . . . . . . . 4814 1 505 . 1 1 54 54 LYS H H 1 7.654 0.02 . . . . . . . . . . 4814 1 506 . 1 1 54 54 LYS CA C 13 58.400 0.05 . . . . . . . . . . 4814 1 507 . 1 1 54 54 LYS HA H 1 4.095 0.02 . . . . . . . . . . 4814 1 508 . 1 1 54 54 LYS CB C 13 31.683 0.05 . . . . . . . . . . 4814 1 509 . 1 1 54 54 LYS HB3 H 1 1.950 0.02 . . . . . . . . . . 4814 1 510 . 1 1 54 54 LYS HB2 H 1 1.680 0.02 . . . . . . . . . . 4814 1 511 . 1 1 54 54 LYS HG3 H 1 1.470 0.02 . . . . . . . . . . 4814 1 512 . 1 1 54 54 LYS HG2 H 1 1.440 0.02 . . . . . . . . . . 4814 1 513 . 1 1 54 54 LYS HD3 H 1 1.600 0.02 . . . . . . . . . . 4814 1 514 . 1 1 54 54 LYS HD2 H 1 1.575 0.02 . . . . . . . . . . 4814 1 515 . 1 1 54 54 LYS HE3 H 1 3.190 0.02 . . . . . . . . . . 4814 1 516 . 1 1 54 54 LYS HE2 H 1 2.950 0.02 . . . . . . . . . . 4814 1 517 . 1 1 55 55 ILE N N 15 119.186 0.05 . . . . . . . . . . 4814 1 518 . 1 1 55 55 ILE H H 1 8.153 0.02 . . . . . . . . . . 4814 1 519 . 1 1 55 55 ILE CA C 13 61.600 0.05 . . . . . . . . . . 4814 1 520 . 1 1 55 55 ILE HA H 1 4.070 0.02 . . . . . . . . . . 4814 1 521 . 1 1 55 55 ILE CB C 13 33.760 0.05 . . . . . . . . . . 4814 1 522 . 1 1 55 55 ILE HB H 1 1.963 0.02 . . . . . . . . . . 4814 1 523 . 1 1 55 55 ILE HG13 H 1 1.470 0.02 . . . . . . . . . . 4814 1 524 . 1 1 55 55 ILE HG12 H 1 1.065 0.02 . . . . . . . . . . 4814 1 525 . 1 1 55 55 ILE HG21 H 1 0.590 0.02 . . . . . . . . . . 4814 1 526 . 1 1 55 55 ILE HG22 H 1 0.590 0.02 . . . . . . . . . . 4814 1 527 . 1 1 55 55 ILE HG23 H 1 0.590 0.02 . . . . . . . . . . 4814 1 528 . 1 1 55 55 ILE HD11 H 1 0.490 0.02 . . . . . . . . . . 4814 1 529 . 1 1 55 55 ILE HD12 H 1 0.490 0.02 . . . . . . . . . . 4814 1 530 . 1 1 55 55 ILE HD13 H 1 0.490 0.02 . . . . . . . . . . 4814 1 531 . 1 1 56 56 ALA N N 15 124.198 0.05 . . . . . . . . . . 4814 1 532 . 1 1 56 56 ALA H H 1 8.327 0.02 . . . . . . . . . . 4814 1 533 . 1 1 56 56 ALA CA C 13 54.990 0.05 . . . . . . . . . . 4814 1 534 . 1 1 56 56 ALA HA H 1 4.260 0.02 . . . . . . . . . . 4814 1 535 . 1 1 56 56 ALA CB C 13 17.543 0.05 . . . . . . . . . . 4814 1 536 . 1 1 56 56 ALA HB1 H 1 1.500 0.02 . . . . . . . . . . 4814 1 537 . 1 1 56 56 ALA HB2 H 1 1.500 0.02 . . . . . . . . . . 4814 1 538 . 1 1 56 56 ALA HB3 H 1 1.500 0.02 . . . . . . . . . . 4814 1 539 . 1 1 57 57 GLU N N 15 119.961 0.05 . . . . . . . . . . 4814 1 540 . 1 1 57 57 GLU H H 1 7.740 0.02 . . . . . . . . . . 4814 1 541 . 1 1 57 57 GLU CA C 13 59.697 0.05 . . . . . . . . . . 4814 1 542 . 1 1 57 57 GLU HA H 1 4.060 0.02 . . . . . . . . . . 4814 1 543 . 1 1 57 57 GLU CB C 13 29.270 0.05 . . . . . . . . . . 4814 1 544 . 1 1 57 57 GLU HB3 H 1 2.592 0.02 . . . . . . . . . . 4814 1 545 . 1 1 57 57 GLU HB2 H 1 2.320 0.02 . . . . . . . . . . 4814 1 546 . 1 1 57 57 GLU HG3 H 1 2.210 0.02 . . . . . . . . . . 4814 1 547 . 1 1 57 57 GLU HG2 H 1 2.110 0.02 . . . . . . . . . . 4814 1 548 . 1 1 58 58 VAL N N 15 121.756 0.05 . . . . . . . . . . 4814 1 549 . 1 1 58 58 VAL H H 1 7.868 0.02 . . . . . . . . . . 4814 1 550 . 1 1 58 58 VAL CA C 13 66.647 0.05 . . . . . . . . . . 4814 1 551 . 1 1 58 58 VAL HA H 1 3.785 0.02 . . . . . . . . . . 4814 1 552 . 1 1 58 58 VAL CB C 13 31.670 0.05 . . . . . . . . . . 4814 1 553 . 1 1 58 58 VAL HB H 1 2.117 0.02 . . . . . . . . . . 4814 1 554 . 1 1 58 58 VAL HG11 H 1 0.610 0.02 . . . . . . . . . . 4814 1 555 . 1 1 58 58 VAL HG12 H 1 0.610 0.02 . . . . . . . . . . 4814 1 556 . 1 1 58 58 VAL HG13 H 1 0.610 0.02 . . . . . . . . . . 4814 1 557 . 1 1 58 58 VAL HG21 H 1 0.480 0.02 . . . . . . . . . . 4814 1 558 . 1 1 58 58 VAL HG22 H 1 0.480 0.02 . . . . . . . . . . 4814 1 559 . 1 1 58 58 VAL HG23 H 1 0.480 0.02 . . . . . . . . . . 4814 1 560 . 1 1 59 59 THR N N 15 113.653 0.05 . . . . . . . . . . 4814 1 561 . 1 1 59 59 THR H H 1 9.065 0.02 . . . . . . . . . . 4814 1 562 . 1 1 59 59 THR CA C 13 66.507 0.05 . . . . . . . . . . 4814 1 563 . 1 1 59 59 THR HA H 1 3.780 0.02 . . . . . . . . . . 4814 1 564 . 1 1 59 59 THR CB C 13 67.710 0.05 . . . . . . . . . . 4814 1 565 . 1 1 59 59 THR HB H 1 3.690 0.02 . . . . . . . . . . 4814 1 566 . 1 1 59 59 THR HG21 H 1 1.210 0.02 . . . . . . . . . . 4814 1 567 . 1 1 59 59 THR HG22 H 1 1.210 0.02 . . . . . . . . . . 4814 1 568 . 1 1 59 59 THR HG23 H 1 1.210 0.02 . . . . . . . . . . 4814 1 569 . 1 1 60 60 THR N N 15 120.934 0.05 . . . . . . . . . . 4814 1 570 . 1 1 60 60 THR H H 1 8.295 0.02 . . . . . . . . . . 4814 1 571 . 1 1 60 60 THR CA C 13 67.430 0.05 . . . . . . . . . . 4814 1 572 . 1 1 60 60 THR HA H 1 4.340 0.02 . . . . . . . . . . 4814 1 573 . 1 1 60 60 THR CB C 13 68.390 0.05 . . . . . . . . . . 4814 1 574 . 1 1 60 60 THR HB H 1 3.903 0.02 . . . . . . . . . . 4814 1 575 . 1 1 60 60 THR HG21 H 1 1.217 0.02 . . . . . . . . . . 4814 1 576 . 1 1 60 60 THR HG22 H 1 1.217 0.02 . . . . . . . . . . 4814 1 577 . 1 1 60 60 THR HG23 H 1 1.217 0.02 . . . . . . . . . . 4814 1 578 . 1 1 61 61 SER N N 15 118.266 0.05 . . . . . . . . . . 4814 1 579 . 1 1 61 61 SER H H 1 7.920 0.02 . . . . . . . . . . 4814 1 580 . 1 1 61 61 SER CA C 13 62.563 0.05 . . . . . . . . . . 4814 1 581 . 1 1 61 61 SER HA H 1 4.320 0.02 . . . . . . . . . . 4814 1 582 . 1 1 61 61 SER CB C 13 66.830 0.05 . . . . . . . . . . 4814 1 583 . 1 1 61 61 SER HB3 H 1 4.130 0.02 . . . . . . . . . . 4814 1 584 . 1 1 61 61 SER HB2 H 1 4.067 0.02 . . . . . . . . . . 4814 1 585 . 1 1 62 62 LEU N N 15 122.499 0.05 . . . . . . . . . . 4814 1 586 . 1 1 62 62 LEU H H 1 8.237 0.02 . . . . . . . . . . 4814 1 587 . 1 1 62 62 LEU CA C 13 58.113 0.05 . . . . . . . . . . 4814 1 588 . 1 1 62 62 LEU HA H 1 4.150 0.02 . . . . . . . . . . 4814 1 589 . 1 1 62 62 LEU CB C 13 42.560 0.05 . . . . . . . . . . 4814 1 590 . 1 1 62 62 LEU HB3 H 1 1.980 0.02 . . . . . . . . . . 4814 1 591 . 1 1 62 62 LEU HB2 H 1 1.930 0.02 . . . . . . . . . . 4814 1 592 . 1 1 62 62 LEU HG H 1 1.890 0.02 . . . . . . . . . . 4814 1 593 . 1 1 62 62 LEU HD21 H 1 0.682 0.02 . . . . . . . . . . 4814 1 594 . 1 1 62 62 LEU HD22 H 1 0.682 0.02 . . . . . . . . . . 4814 1 595 . 1 1 62 62 LEU HD23 H 1 0.682 0.02 . . . . . . . . . . 4814 1 596 . 1 1 62 62 LEU HD11 H 1 0.890 0.02 . . . . . . . . . . 4814 1 597 . 1 1 62 62 LEU HD12 H 1 0.890 0.02 . . . . . . . . . . 4814 1 598 . 1 1 62 62 LEU HD13 H 1 0.890 0.02 . . . . . . . . . . 4814 1 599 . 1 1 63 63 LYS N N 15 119.578 0.05 . . . . . . . . . . 4814 1 600 . 1 1 63 63 LYS H H 1 8.124 0.02 . . . . . . . . . . 4814 1 601 . 1 1 63 63 LYS CA C 13 59.793 0.05 . . . . . . . . . . 4814 1 602 . 1 1 63 63 LYS HA H 1 3.933 0.02 . . . . . . . . . . 4814 1 603 . 1 1 63 63 LYS CB C 13 31.893 0.05 . . . . . . . . . . 4814 1 604 . 1 1 63 63 LYS HB3 H 1 1.960 0.02 . . . . . . . . . . 4814 1 605 . 1 1 63 63 LYS HB2 H 1 1.910 0.02 . . . . . . . . . . 4814 1 606 . 1 1 63 63 LYS HG3 H 1 1.470 0.02 . . . . . . . . . . 4814 1 607 . 1 1 63 63 LYS HG2 H 1 1.450 0.02 . . . . . . . . . . 4814 1 608 . 1 1 63 63 LYS HD3 H 1 1.660 0.02 . . . . . . . . . . 4814 1 609 . 1 1 63 63 LYS HD2 H 1 1.600 0.02 . . . . . . . . . . 4814 1 610 . 1 1 64 64 GLN N N 15 118.282 0.05 . . . . . . . . . . 4814 1 611 . 1 1 64 64 GLN H H 1 7.979 0.02 . . . . . . . . . . 4814 1 612 . 1 1 64 64 GLN CA C 13 58.700 0.05 . . . . . . . . . . 4814 1 613 . 1 1 64 64 GLN HA H 1 4.210 0.02 . . . . . . . . . . 4814 1 614 . 1 1 64 64 GLN CB C 13 28.140 0.05 . . . . . . . . . . 4814 1 615 . 1 1 64 64 GLN HB3 H 1 2.100 0.02 . . . . . . . . . . 4814 1 616 . 1 1 64 64 GLN HB2 H 1 1.970 0.02 . . . . . . . . . . 4814 1 617 . 1 1 64 64 GLN HE21 H 1 7.590 0.02 . . . . . . . . . . 4814 1 618 . 1 1 64 64 GLN HE22 H 1 7.390 0.02 . . . . . . . . . . 4814 1 619 . 1 1 64 64 GLN HG2 H 1 2.570 0.02 . 2 . . . . . . . . 4814 1 620 . 1 1 65 65 GLU N N 15 120.467 0.05 . . . . . . . . . . 4814 1 621 . 1 1 65 65 GLU H H 1 8.038 0.02 . . . . . . . . . . 4814 1 622 . 1 1 65 65 GLU CA C 13 58.433 0.05 . . . . . . . . . . 4814 1 623 . 1 1 65 65 GLU HA H 1 4.070 0.02 . . . . . . . . . . 4814 1 624 . 1 1 65 65 GLU CB C 13 28.583 0.05 . . . . . . . . . . 4814 1 625 . 1 1 65 65 GLU HB3 H 1 2.110 0.02 . . . . . . . . . . 4814 1 626 . 1 1 65 65 GLU HB2 H 1 2.075 0.02 . . . . . . . . . . 4814 1 627 . 1 1 65 65 GLU HG3 H 1 2.283 0.02 . . . . . . . . . . 4814 1 628 . 1 1 65 65 GLU HG2 H 1 2.270 0.02 . . . . . . . . . . 4814 1 629 . 1 1 66 66 ALA N N 15 120.984 0.05 . . . . . . . . . . 4814 1 630 . 1 1 66 66 ALA H H 1 8.305 0.02 . . . . . . . . . . 4814 1 631 . 1 1 66 66 ALA CA C 13 55.967 0.05 . . . . . . . . . . 4814 1 632 . 1 1 66 66 ALA HA H 1 3.817 0.02 . . . . . . . . . . 4814 1 633 . 1 1 66 66 ALA CB C 13 18.453 0.05 . . . . . . . . . . 4814 1 634 . 1 1 66 66 ALA HB1 H 1 1.577 0.02 . . . . . . . . . . 4814 1 635 . 1 1 66 66 ALA HB2 H 1 1.577 0.02 . . . . . . . . . . 4814 1 636 . 1 1 66 66 ALA HB3 H 1 1.577 0.02 . . . . . . . . . . 4814 1 637 . 1 1 67 67 GLU N N 15 112.491 0.05 . . . . . . . . . . 4814 1 638 . 1 1 67 67 GLU H H 1 7.234 0.02 . . . . . . . . . . 4814 1 639 . 1 1 67 67 GLU CA C 13 57.930 0.05 . . . . . . . . . . 4814 1 640 . 1 1 67 67 GLU HA H 1 4.080 0.02 . . . . . . . . . . 4814 1 641 . 1 1 67 67 GLU CB C 13 29.937 0.05 . . . . . . . . . . 4814 1 642 . 1 1 67 67 GLU HB3 H 1 2.115 0.02 . . . . . . . . . . 4814 1 643 . 1 1 67 67 GLU HB2 H 1 2.080 0.02 . . . . . . . . . . 4814 1 644 . 1 1 67 67 GLU HG3 H 1 2.557 0.02 . . . . . . . . . . 4814 1 645 . 1 1 67 67 GLU HG2 H 1 2.343 0.02 . . . . . . . . . . 4814 1 646 . 1 1 68 68 LYS N N 15 116.670 0.05 . . . . . . . . . . 4814 1 647 . 1 1 68 68 LYS H H 1 7.608 0.02 . . . . . . . . . . 4814 1 648 . 1 1 68 68 LYS CA C 13 56.760 0.05 . . . . . . . . . . 4814 1 649 . 1 1 68 68 LYS HA H 1 4.060 0.02 . . . . . . . . . . 4814 1 650 . 1 1 68 68 LYS CB C 13 32.623 0.05 . . . . . . . . . . 4814 1 651 . 1 1 68 68 LYS HB3 H 1 1.590 0.02 . . . . . . . . . . 4814 1 652 . 1 1 68 68 LYS HB2 H 1 1.473 0.02 . . . . . . . . . . 4814 1 653 . 1 1 68 68 LYS HG3 H 1 1.280 0.02 . . . . . . . . . . 4814 1 654 . 1 1 68 68 LYS HG2 H 1 1.260 0.02 . . . . . . . . . . 4814 1 655 . 1 1 68 68 LYS HD3 H 1 1.437 0.02 . . . . . . . . . . 4814 1 656 . 1 1 68 68 LYS HD2 H 1 1.440 0.02 . . . . . . . . . . 4814 1 657 . 1 1 68 68 LYS HE3 H 1 3.100 0.02 . . . . . . . . . . 4814 1 658 . 1 1 68 68 LYS HE2 H 1 2.885 0.02 . . . . . . . . . . 4814 1 659 . 1 1 69 69 HIS N N 15 117.561 0.05 . . . . . . . . . . 4814 1 660 . 1 1 69 69 HIS H H 1 7.415 0.02 . . . . . . . . . . 4814 1 661 . 1 1 69 69 HIS CA C 13 55.003 0.05 . . . . . . . . . . 4814 1 662 . 1 1 69 69 HIS HA H 1 4.733 0.02 . . . . . . . . . . 4814 1 663 . 1 1 69 69 HIS CB C 13 33.700 0.05 . . . . . . . . . . 4814 1 664 . 1 1 69 69 HIS HB3 H 1 3.097 0.02 . . . . . . . . . . 4814 1 665 . 1 1 69 69 HIS HB2 H 1 2.477 0.02 . . . . . . . . . . 4814 1 666 . 1 1 69 69 HIS HD2 H 1 7.510 0.02 . . . . . . . . . . 4814 1 667 . 1 1 69 69 HIS HE1 H 1 7.320 0.02 . . . . . . . . . . 4814 1 668 . 1 1 70 70 GLN N N 15 116.344 0.05 . . . . . . . . . . 4814 1 669 . 1 1 70 70 GLN H H 1 8.403 0.02 . . . . . . . . . . 4814 1 670 . 1 1 70 70 GLN CA C 13 54.650 0.05 . . . . . . . . . . 4814 1 671 . 1 1 70 70 GLN HA H 1 4.650 0.02 . . . . . . . . . . 4814 1 672 . 1 1 70 70 GLN CB C 13 31.733 0.05 . . . . . . . . . . 4814 1 673 . 1 1 70 70 GLN HB3 H 1 2.150 0.02 . . . . . . . . . . 4814 1 674 . 1 1 70 70 GLN HB2 H 1 1.977 0.02 . . . . . . . . . . 4814 1 675 . 1 1 70 70 GLN HG3 H 1 2.470 0.02 . . . . . . . . . . 4814 1 676 . 1 1 70 70 GLN HG2 H 1 2.327 0.02 . . . . . . . . . . 4814 1 677 . 1 1 70 70 GLN HE21 H 1 7.190 0.02 . . . . . . . . . . 4814 1 678 . 1 1 70 70 GLN HE22 H 1 8.210 0.02 . . . . . . . . . . 4814 1 679 . 1 1 71 71 GLY N N 15 108.594 0.05 . . . . . . . . . . 4814 1 680 . 1 1 71 71 GLY H H 1 8.645 0.02 . . . . . . . . . . 4814 1 681 . 1 1 71 71 GLY CA C 13 45.903 0.05 . . . . . . . . . . 4814 1 682 . 1 1 71 71 GLY HA3 H 1 4.145 0.02 . . . . . . . . . . 4814 1 683 . 1 1 71 71 GLY HA2 H 1 3.850 0.02 . . . . . . . . . . 4814 1 684 . 1 1 72 72 SER N N 15 118.712 0.05 . . . . . . . . . . 4814 1 685 . 1 1 72 72 SER H H 1 7.979 0.02 . . . . . . . . . . 4814 1 686 . 1 1 72 72 SER CA C 13 61.615 0.05 . . . . . . . . . . 4814 1 687 . 1 1 72 72 SER HA H 1 4.025 0.02 . . . . . . . . . . 4814 1 688 . 1 1 72 72 SER CB C 13 62.777 0.05 . . . . . . . . . . 4814 1 689 . 1 1 72 72 SER HB3 H 1 3.865 0.02 . . . . . . . . . . 4814 1 690 . 1 1 72 72 SER HB2 H 1 3.830 0.02 . . . . . . . . . . 4814 1 691 . 1 1 73 73 VAL N N 15 121.301 0.05 . . . . . . . . . . 4814 1 692 . 1 1 73 73 VAL H H 1 8.011 0.02 . . . . . . . . . . 4814 1 693 . 1 1 73 73 VAL CA C 13 65.823 0.05 . . . . . . . . . . 4814 1 694 . 1 1 73 73 VAL HA H 1 4.710 0.02 . . . . . . . . . . 4814 1 695 . 1 1 73 73 VAL CB C 13 31.327 0.05 . . . . . . . . . . 4814 1 696 . 1 1 73 73 VAL HB H 1 3.225 0.02 . . . . . . . . . . 4814 1 697 . 1 1 73 73 VAL HG11 H 1 0.125 0.02 . . . . . . . . . . 4814 1 698 . 1 1 73 73 VAL HG12 H 1 0.125 0.02 . . . . . . . . . . 4814 1 699 . 1 1 73 73 VAL HG13 H 1 0.125 0.02 . . . . . . . . . . 4814 1 700 . 1 1 74 74 ALA N N 15 120.919 0.05 . . . . . . . . . . 4814 1 701 . 1 1 74 74 ALA H H 1 6.684 0.02 . . . . . . . . . . 4814 1 702 . 1 1 74 74 ALA CA C 13 55.390 0.05 . . . . . . . . . . 4814 1 703 . 1 1 74 74 ALA HA H 1 3.825 0.02 . . . . . . . . . . 4814 1 704 . 1 1 74 74 ALA CB C 13 18.553 0.05 . . . . . . . . . . 4814 1 705 . 1 1 74 74 ALA HB1 H 1 1.324 0.02 . . . . . . . . . . 4814 1 706 . 1 1 74 74 ALA HB2 H 1 1.324 0.02 . . . . . . . . . . 4814 1 707 . 1 1 74 74 ALA HB3 H 1 1.324 0.02 . . . . . . . . . . 4814 1 708 . 1 1 75 75 GLU N N 15 116.546 0.05 . . . . . . . . . . 4814 1 709 . 1 1 75 75 GLU H H 1 7.807 0.02 . . . . . . . . . . 4814 1 710 . 1 1 75 75 GLU CA C 13 59.270 0.05 . . . . . . . . . . 4814 1 711 . 1 1 75 75 GLU HA H 1 4.033 0.02 . . . . . . . . . . 4814 1 712 . 1 1 75 75 GLU CB C 13 29.570 0.05 . . . . . . . . . . 4814 1 713 . 1 1 75 75 GLU HB3 H 1 2.070 0.02 . . . . . . . . . . 4814 1 714 . 1 1 75 75 GLU HB2 H 1 2.040 0.02 . . . . . . . . . . 4814 1 715 . 1 1 75 75 GLU HG3 H 1 2.315 0.02 . . . . . . . . . . 4814 1 716 . 1 1 75 75 GLU HG2 H 1 2.190 0.02 . . . . . . . . . . 4814 1 717 . 1 1 76 76 GLN N N 15 121.663 0.05 . . . . . . . . . . 4814 1 718 . 1 1 76 76 GLN H H 1 7.858 0.02 . . . . . . . . . . 4814 1 719 . 1 1 76 76 GLN CA C 13 58.663 0.05 . . . . . . . . . . 4814 1 720 . 1 1 76 76 GLN HA H 1 3.710 0.02 . . . . . . . . . . 4814 1 721 . 1 1 76 76 GLN CB C 13 28.993 0.05 . . . . . . . . . . 4814 1 722 . 1 1 76 76 GLN HB3 H 1 1.045 0.02 . . . . . . . . . . 4814 1 723 . 1 1 76 76 GLN HB2 H 1 1.980 0.02 . . . . . . . . . . 4814 1 724 . 1 1 76 76 GLN HG3 H 1 2.330 0.02 . . . . . . . . . . 4814 1 725 . 1 1 76 76 GLN HG2 H 1 2.300 0.02 . . . . . . . . . . 4814 1 726 . 1 1 77 77 LEU N N 15 121.355 0.05 . . . . . . . . . . 4814 1 727 . 1 1 77 77 LEU H H 1 8.477 0.02 . . . . . . . . . . 4814 1 728 . 1 1 77 77 LEU CA C 13 58.470 0.05 . . . . . . . . . . 4814 1 729 . 1 1 77 77 LEU HA H 1 4.147 0.02 . . . . . . . . . . 4814 1 730 . 1 1 77 77 LEU CB C 13 42.575 0.05 . . . . . . . . . . 4814 1 731 . 1 1 77 77 LEU HB3 H 1 1.600 0.02 . . . . . . . . . . 4814 1 732 . 1 1 77 77 LEU HB2 H 1 1.570 0.02 . . . . . . . . . . 4814 1 733 . 1 1 77 77 LEU HG H 1 1.550 0.02 . . . . . . . . . . 4814 1 734 . 1 1 77 77 LEU HD11 H 1 0.940 0.02 . . . . . . . . . . 4814 1 735 . 1 1 77 77 LEU HD12 H 1 0.940 0.02 . . . . . . . . . . 4814 1 736 . 1 1 77 77 LEU HD13 H 1 0.940 0.02 . . . . . . . . . . 4814 1 737 . 1 1 77 77 LEU HD21 H 1 -0.020 0.02 . . . . . . . . . . 4814 1 738 . 1 1 77 77 LEU HD22 H 1 -0.020 0.02 . . . . . . . . . . 4814 1 739 . 1 1 77 77 LEU HD23 H 1 -0.020 0.02 . . . . . . . . . . 4814 1 740 . 1 1 78 78 ASN N N 15 117.100 0.05 . . . . . . . . . . 4814 1 741 . 1 1 78 78 ASN H H 1 8.218 0.02 . . . . . . . . . . 4814 1 742 . 1 1 78 78 ASN CA C 13 56.793 0.05 . . . . . . . . . . 4814 1 743 . 1 1 78 78 ASN HA H 1 4.334 0.02 . . . . . . . . . . 4814 1 744 . 1 1 78 78 ASN CB C 13 38.690 0.05 . . . . . . . . . . 4814 1 745 . 1 1 78 78 ASN HB3 H 1 2.805 0.02 . . . . . . . . . . 4814 1 746 . 1 1 78 78 ASN HB2 H 1 2.605 0.02 . . . . . . . . . . 4814 1 747 . 1 1 78 78 ASN HD21 H 1 7.170 0.02 . . . . . . . . . . 4814 1 748 . 1 1 78 78 ASN HD22 H 1 6.880 0.02 . . . . . . . . . . 4814 1 749 . 1 1 79 79 ALA N N 15 122.997 0.05 . . . . . . . . . . 4814 1 750 . 1 1 79 79 ALA H H 1 8.095 0.02 . . . . . . . . . . 4814 1 751 . 1 1 79 79 ALA CA C 13 55.390 0.05 . . . . . . . . . . 4814 1 752 . 1 1 79 79 ALA HA H 1 4.030 0.02 . . . . . . . . . . 4814 1 753 . 1 1 79 79 ALA CB C 13 17.850 0.05 . . . . . . . . . . 4814 1 754 . 1 1 79 79 ALA HB1 H 1 1.470 0.02 . . . . . . . . . . 4814 1 755 . 1 1 79 79 ALA HB2 H 1 1.470 0.02 . . . . . . . . . . 4814 1 756 . 1 1 79 79 ALA HB3 H 1 1.470 0.02 . . . . . . . . . . 4814 1 757 . 1 1 80 80 PHE N N 15 119.166 0.05 . . . . . . . . . . 4814 1 758 . 1 1 80 80 PHE H H 1 8.167 0.02 . . . . . . . . . . 4814 1 759 . 1 1 80 80 PHE CA C 13 58.763 0.05 . . . . . . . . . . 4814 1 760 . 1 1 80 80 PHE HA H 1 4.506 0.02 . . . . . . . . . . 4814 1 761 . 1 1 80 80 PHE CB C 13 38.940 0.05 . . . . . . . . . . 4814 1 762 . 1 1 80 80 PHE HB3 H 1 3.293 0.02 . . . . . . . . . . 4814 1 763 . 1 1 80 80 PHE HB2 H 1 3.017 0.02 . . . . . . . . . . 4814 1 764 . 1 1 80 80 PHE HZ H 1 7.260 0.02 . . . . . . . . . . 4814 1 765 . 1 1 80 80 PHE HE2 H 1 7.320 0.02 . 2 . . . . . . . . 4814 1 766 . 1 1 80 80 PHE HD2 H 1 7.070 0.02 . 2 . . . . . . . . 4814 1 767 . 1 1 81 81 ALA N N 15 120.072 0.05 . . . . . . . . . . 4814 1 768 . 1 1 81 81 ALA H H 1 8.188 0.02 . . . . . . . . . . 4814 1 769 . 1 1 81 81 ALA CA C 13 55.377 0.05 . . . . . . . . . . 4814 1 770 . 1 1 81 81 ALA HA H 1 3.540 0.02 . . . . . . . . . . 4814 1 771 . 1 1 81 81 ALA CB C 13 18.393 0.05 . . . . . . . . . . 4814 1 772 . 1 1 81 81 ALA HB1 H 1 1.460 0.02 . . . . . . . . . . 4814 1 773 . 1 1 81 81 ALA HB2 H 1 1.460 0.02 . . . . . . . . . . 4814 1 774 . 1 1 81 81 ALA HB3 H 1 1.460 0.02 . . . . . . . . . . 4814 1 775 . 1 1 82 82 ARG N N 15 117.729 0.05 . . . . . . . . . . 4814 1 776 . 1 1 82 82 ARG H H 1 7.932 0.02 . . . . . . . . . . 4814 1 777 . 1 1 82 82 ARG CA C 13 59.390 0.05 . . . . . . . . . . 4814 1 778 . 1 1 82 82 ARG HA H 1 3.980 0.02 . . . . . . . . . . 4814 1 779 . 1 1 82 82 ARG CB C 13 30.017 0.05 . . . . . . . . . . 4814 1 780 . 1 1 82 82 ARG HB3 H 1 1.895 0.02 . . . . . . . . . . 4814 1 781 . 1 1 82 82 ARG HB2 H 1 1.740 0.02 . . . . . . . . . . 4814 1 782 . 1 1 82 82 ARG HG3 H 1 1.493 0.02 . . . . . . . . . . 4814 1 783 . 1 1 82 82 ARG HG2 H 1 1.450 0.02 . . . . . . . . . . 4814 1 784 . 1 1 82 82 ARG HD3 H 1 3.550 0.02 . . . . . . . . . . 4814 1 785 . 1 1 82 82 ARG HD2 H 1 3.350 0.02 . . . . . . . . . . 4814 1 786 . 1 1 83 83 ASN N N 15 119.570 0.05 . . . . . . . . . . 4814 1 787 . 1 1 83 83 ASN H H 1 8.562 0.02 . . . . . . . . . . 4814 1 788 . 1 1 83 83 ASN CA C 13 55.593 0.05 . . . . . . . . . . 4814 1 789 . 1 1 83 83 ASN HA H 1 4.393 0.02 . . . . . . . . . . 4814 1 790 . 1 1 83 83 ASN CB C 13 37.063 0.05 . . . . . . . . . . 4814 1 791 . 1 1 83 83 ASN HB3 H 1 2.910 0.02 . . . . . . . . . . 4814 1 792 . 1 1 83 83 ASN HB2 H 1 2.705 0.02 . . . . . . . . . . 4814 1 793 . 1 1 83 83 ASN HD21 H 1 7.560 0.02 . . . . . . . . . . 4814 1 794 . 1 1 83 83 ASN HD22 H 1 6.935 0.02 . . . . . . . . . . 4814 1 795 . 1 1 84 84 LEU N N 15 122.996 0.05 . . . . . . . . . . 4814 1 796 . 1 1 84 84 LEU H H 1 8.420 0.02 . . . . . . . . . . 4814 1 797 . 1 1 84 84 LEU CA C 13 58.163 0.05 . . . . . . . . . . 4814 1 798 . 1 1 84 84 LEU HA H 1 3.867 0.02 . . . . . . . . . . 4814 1 799 . 1 1 84 84 LEU CB C 13 42.157 0.05 . . . . . . . . . . 4814 1 800 . 1 1 84 84 LEU HB3 H 1 1.550 0.02 . . . . . . . . . . 4814 1 801 . 1 1 84 84 LEU HB2 H 1 1.470 0.02 . . . . . . . . . . 4814 1 802 . 1 1 84 84 LEU HG H 1 1.520 0.02 . . . . . . . . . . 4814 1 803 . 1 1 84 84 LEU HD21 H 1 0.165 0.02 . . . . . . . . . . 4814 1 804 . 1 1 84 84 LEU HD22 H 1 0.165 0.02 . . . . . . . . . . 4814 1 805 . 1 1 84 84 LEU HD23 H 1 0.165 0.02 . . . . . . . . . . 4814 1 806 . 1 1 84 84 LEU HD11 H 1 0.600 0.02 . . . . . . . . . . 4814 1 807 . 1 1 84 84 LEU HD12 H 1 0.600 0.02 . . . . . . . . . . 4814 1 808 . 1 1 84 84 LEU HD13 H 1 0.600 0.02 . . . . . . . . . . 4814 1 809 . 1 1 85 85 ASN N N 15 117.774 0.05 . . . . . . . . . . 4814 1 810 . 1 1 85 85 ASN H H 1 7.937 0.02 . . . . . . . . . . 4814 1 811 . 1 1 85 85 ASN CA C 13 56.297 0.05 . . . . . . . . . . 4814 1 812 . 1 1 85 85 ASN HA H 1 4.340 0.02 . . . . . . . . . . 4814 1 813 . 1 1 85 85 ASN CB C 13 38.547 0.05 . . . . . . . . . . 4814 1 814 . 1 1 85 85 ASN HB3 H 1 2.840 0.02 . . . . . . . . . . 4814 1 815 . 1 1 85 85 ASN HB2 H 1 2.790 0.02 . . . . . . . . . . 4814 1 816 . 1 1 85 85 ASN HD21 H 1 7.480 0.02 . . . . . . . . . . 4814 1 817 . 1 1 85 85 ASN HD22 H 1 6.840 0.02 . . . . . . . . . . 4814 1 818 . 1 1 86 86 ASN N N 15 117.819 0.05 . . . . . . . . . . 4814 1 819 . 1 1 86 86 ASN H H 1 8.472 0.02 . . . . . . . . . . 4814 1 820 . 1 1 86 86 ASN CA C 13 55.290 0.05 . . . . . . . . . . 4814 1 821 . 1 1 86 86 ASN HA H 1 4.195 0.02 . . . . . . . . . . 4814 1 822 . 1 1 86 86 ASN CB C 13 37.987 0.05 . . . . . . . . . . 4814 1 823 . 1 1 86 86 ASN HB3 H 1 2.900 0.02 . . . . . . . . . . 4814 1 824 . 1 1 86 86 ASN HB2 H 1 2.790 0.02 . . . . . . . . . . 4814 1 825 . 1 1 86 86 ASN HD21 H 1 7.530 0.02 . . . . . . . . . . 4814 1 826 . 1 1 86 86 ASN HD22 H 1 6.817 0.02 . . . . . . . . . . 4814 1 827 . 1 1 87 87 SER N N 15 115.206 0.05 . . . . . . . . . . 4814 1 828 . 1 1 87 87 SER H H 1 7.822 0.02 . . . . . . . . . . 4814 1 829 . 1 1 87 87 SER CA C 13 61.963 0.05 . . . . . . . . . . 4814 1 830 . 1 1 87 87 SER HA H 1 4.333 0.02 . . . . . . . . . . 4814 1 831 . 1 1 87 87 SER CB C 13 63.827 0.05 . . . . . . . . . . 4814 1 832 . 1 1 87 87 SER HB3 H 1 4.195 0.02 . . . . . . . . . . 4814 1 833 . 1 1 87 87 SER HB2 H 1 3.903 0.02 . . . . . . . . . . 4814 1 834 . 1 1 88 88 ILE N N 15 112.004 0.05 . . . . . . . . . . 4814 1 835 . 1 1 88 88 ILE H H 1 7.090 0.02 . . . . . . . . . . 4814 1 836 . 1 1 88 88 ILE CA C 13 60.683 0.05 . . . . . . . . . . 4814 1 837 . 1 1 88 88 ILE HA H 1 4.490 0.02 . . . . . . . . . . 4814 1 838 . 1 1 88 88 ILE CB C 13 38.757 0.05 . . . . . . . . . . 4814 1 839 . 1 1 88 88 ILE HB H 1 2.080 0.02 . . . . . . . . . . 4814 1 840 . 1 1 88 88 ILE HG13 H 1 1.400 0.02 . . . . . . . . . . 4814 1 841 . 1 1 88 88 ILE HG12 H 1 1.280 0.02 . . . . . . . . . . 4814 1 842 . 1 1 88 88 ILE HD11 H 1 0.750 0.02 . . . . . . . . . . 4814 1 843 . 1 1 88 88 ILE HD12 H 1 0.750 0.02 . . . . . . . . . . 4814 1 844 . 1 1 88 88 ILE HD13 H 1 0.750 0.02 . . . . . . . . . . 4814 1 845 . 1 1 88 88 ILE HG21 H 1 0.900 0.02 . . . . . . . . . . 4814 1 846 . 1 1 88 88 ILE HG22 H 1 0.900 0.02 . . . . . . . . . . 4814 1 847 . 1 1 88 88 ILE HG23 H 1 0.900 0.02 . . . . . . . . . . 4814 1 848 . 1 1 89 89 HIS N N 15 121.777 0.05 . . . . . . . . . . 4814 1 849 . 1 1 89 89 HIS H H 1 7.684 0.02 . . . . . . . . . . 4814 1 850 . 1 1 89 89 HIS CA C 13 57.690 0.05 . . . . . . . . . . 4814 1 851 . 1 1 89 89 HIS HA H 1 4.460 0.02 . . . . . . . . . . 4814 1 852 . 1 1 89 89 HIS CB C 13 29.987 0.05 . . . . . . . . . . 4814 1 853 . 1 1 89 89 HIS HB3 H 1 3.190 0.02 . . . . . . . . . . 4814 1 854 . 1 1 89 89 HIS HB2 H 1 3.150 0.02 . . . . . . . . . . 4814 1 855 . 1 1 89 89 HIS HD2 H 1 7.550 0.02 . . . . . . . . . . 4814 1 856 . 1 1 89 89 HIS HE1 H 1 7.060 0.02 . . . . . . . . . . 4814 1 857 . 1 1 90 90 ASP N N 15 120.994 0.05 . . . . . . . . . . 4814 1 858 . 1 1 90 90 ASP H H 1 8.329 0.02 . . . . . . . . . . 4814 1 859 . 1 1 90 90 ASP CA C 13 54.170 0.05 . . . . . . . . . . 4814 1 860 . 1 1 90 90 ASP HA H 1 4.560 0.02 . . . . . . . . . . 4814 1 861 . 1 1 90 90 ASP CB C 13 41.193 0.05 . . . . . . . . . . 4814 1 862 . 1 1 90 90 ASP HB3 H 1 2.690 0.02 . . . . . . . . . . 4814 1 863 . 1 1 90 90 ASP HB2 H 1 2.510 0.02 . . . . . . . . . . 4814 1 864 . 1 1 91 91 ALA N N 15 123.848 0.05 . . . . . . . . . . 4814 1 865 . 1 1 91 91 ALA H H 1 7.944 0.02 . . . . . . . . . . 4814 1 866 . 1 1 91 91 ALA CA C 13 52.600 0.05 . . . . . . . . . . 4814 1 867 . 1 1 91 91 ALA HA H 1 4.210 0.02 . . . . . . . . . . 4814 1 868 . 1 1 91 91 ALA CB C 13 19.110 0.05 . . . . . . . . . . 4814 1 869 . 1 1 91 91 ALA HB1 H 1 1.350 0.02 . . . . . . . . . . 4814 1 870 . 1 1 91 91 ALA HB2 H 1 1.350 0.02 . . . . . . . . . . 4814 1 871 . 1 1 91 91 ALA HB3 H 1 1.350 0.02 . . . . . . . . . . 4814 1 872 . 1 1 92 92 ALA N N 15 121.828 0.05 . . . . . . . . . . 4814 1 873 . 1 1 92 92 ALA H H 1 8.344 0.02 . . . . . . . . . . 4814 1 874 . 1 1 92 92 ALA CA C 13 52.277 0.05 . . . . . . . . . . 4814 1 875 . 1 1 92 92 ALA HA H 1 4.367 0.02 . . . . . . . . . . 4814 1 876 . 1 1 92 92 ALA CB C 13 19.243 0.05 . . . . . . . . . . 4814 1 877 . 1 1 92 92 ALA HB1 H 1 1.350 0.02 . . . . . . . . . . 4814 1 878 . 1 1 92 92 ALA HB2 H 1 1.350 0.02 . . . . . . . . . . 4814 1 879 . 1 1 92 92 ALA HB3 H 1 1.350 0.02 . . . . . . . . . . 4814 1 880 . 1 1 93 93 THR N N 15 112.525 0.05 . . . . . . . . . . 4814 1 881 . 1 1 93 93 THR H H 1 8.076 0.02 . . . . . . . . . . 4814 1 882 . 1 1 93 93 THR CA C 13 61.673 0.05 . . . . . . . . . . 4814 1 883 . 1 1 93 93 THR HA H 1 4.350 0.02 . . . . . . . . . . 4814 1 884 . 1 1 93 93 THR CB C 13 69.560 0.05 . . . . . . . . . . 4814 1 885 . 1 1 93 93 THR HB H 1 4.220 0.02 . . . . . . . . . . 4814 1 886 . 1 1 93 93 THR HG21 H 1 1.340 0.02 . . . . . . . . . . 4814 1 887 . 1 1 93 93 THR HG22 H 1 1.340 0.02 . . . . . . . . . . 4814 1 888 . 1 1 93 93 THR HG23 H 1 1.340 0.02 . . . . . . . . . . 4814 1 889 . 1 1 94 94 SER N N 15 117.651 0.05 . . . . . . . . . . 4814 1 890 . 1 1 94 94 SER H H 1 8.104 0.02 . . . . . . . . . . 4814 1 891 . 1 1 94 94 SER CA C 13 58.117 0.05 . . . . . . . . . . 4814 1 892 . 1 1 94 94 SER HA H 1 4.470 0.02 . . . . . . . . . . 4814 1 893 . 1 1 94 94 SER CB C 13 64.063 0.05 . . . . . . . . . . 4814 1 894 . 1 1 94 94 SER HB3 H 1 3.820 0.02 . . . . . . . . . . 4814 1 895 . 1 1 94 94 SER HB2 H 1 3.757 0.02 . . . . . . . . . . 4814 1 896 . 1 1 95 95 LEU N N 15 122.642 0.05 . . . . . . . . . . 4814 1 897 . 1 1 95 95 LEU H H 1 8.446 0.02 . . . . . . . . . . 4814 1 898 . 1 1 95 95 LEU CA C 13 54.820 0.05 . . . . . . . . . . 4814 1 899 . 1 1 95 95 LEU HA H 1 4.460 0.02 . . . . . . . . . . 4814 1 900 . 1 1 95 95 LEU CB C 13 42.267 0.05 . . . . . . . . . . 4814 1 901 . 1 1 95 95 LEU HB3 H 1 1.642 0.02 . . . . . . . . . . 4814 1 902 . 1 1 95 95 LEU HB2 H 1 1.630 0.02 . . . . . . . . . . 4814 1 903 . 1 1 95 95 LEU HG H 1 1.590 0.02 . . . . . . . . . . 4814 1 904 . 1 1 95 95 LEU HD11 H 1 0.860 0.02 . . . . . . . . . . 4814 1 905 . 1 1 95 95 LEU HD12 H 1 0.860 0.02 . . . . . . . . . . 4814 1 906 . 1 1 95 95 LEU HD13 H 1 0.860 0.02 . . . . . . . . . . 4814 1 907 . 1 1 95 95 LEU HD21 H 1 0.790 0.02 . . . . . . . . . . 4814 1 908 . 1 1 95 95 LEU HD22 H 1 0.790 0.02 . . . . . . . . . . 4814 1 909 . 1 1 95 95 LEU HD23 H 1 0.790 0.02 . . . . . . . . . . 4814 1 910 . 1 1 96 96 ASN N N 15 116.770 0.05 . . . . . . . . . . 4814 1 911 . 1 1 96 96 ASN H H 1 7.977 0.02 . . . . . . . . . . 4814 1 912 . 1 1 96 96 ASN CA C 13 52.260 0.05 . . . . . . . . . . 4814 1 913 . 1 1 96 96 ASN HA H 1 4.400 0.02 . . . . . . . . . . 4814 1 914 . 1 1 96 96 ASN CB C 13 40.250 0.05 . . . . . . . . . . 4814 1 915 . 1 1 96 96 ASN HB3 H 1 2.866 0.02 . . . . . . . . . . 4814 1 916 . 1 1 96 96 ASN HB2 H 1 2.700 0.02 . . . . . . . . . . 4814 1 917 . 1 1 96 96 ASN HD21 H 1 7.482 0.02 . . . . . . . . . . 4814 1 918 . 1 1 96 96 ASN HD22 H 1 6.980 0.02 . . . . . . . . . . 4814 1 919 . 1 1 97 97 LEU N N 15 123.521 0.05 . . . . . . . . . . 4814 1 920 . 1 1 97 97 LEU H H 1 8.802 0.02 . . . . . . . . . . 4814 1 921 . 1 1 97 97 LEU CA C 13 59.103 0.05 . . . . . . . . . . 4814 1 922 . 1 1 97 97 LEU HA H 1 4.705 0.02 . . . . . . . . . . 4814 1 923 . 1 1 97 97 LEU CB C 13 41.795 0.05 . . . . . . . . . . 4814 1 924 . 1 1 97 97 LEU HB3 H 1 1.530 0.02 . . . . . . . . . . 4814 1 925 . 1 1 97 97 LEU HB2 H 1 1.460 0.02 . . . . . . . . . . 4814 1 926 . 1 1 97 97 LEU HG H 1 1.750 0.02 . . . . . . . . . . 4814 1 927 . 1 1 97 97 LEU HD11 H 1 0.887 0.02 . . . . . . . . . . 4814 1 928 . 1 1 97 97 LEU HD12 H 1 0.887 0.02 . . . . . . . . . . 4814 1 929 . 1 1 97 97 LEU HD13 H 1 0.887 0.02 . . . . . . . . . . 4814 1 930 . 1 1 97 97 LEU HD21 H 1 0.788 0.02 . . . . . . . . . . 4814 1 931 . 1 1 97 97 LEU HD22 H 1 0.788 0.02 . . . . . . . . . . 4814 1 932 . 1 1 97 97 LEU HD23 H 1 0.788 0.02 . . . . . . . . . . 4814 1 933 . 1 1 98 98 GLN N N 15 117.463 0.05 . . . . . . . . . . 4814 1 934 . 1 1 98 98 GLN H H 1 8.354 0.02 . . . . . . . . . . 4814 1 935 . 1 1 98 98 GLN CA C 13 59.490 0.05 . . . . . . . . . . 4814 1 936 . 1 1 98 98 GLN HA H 1 3.823 0.02 . . . . . . . . . . 4814 1 937 . 1 1 98 98 GLN CB C 13 27.973 0.05 . . . . . . . . . . 4814 1 938 . 1 1 98 98 GLN HB3 H 1 2.083 0.02 . . . . . . . . . . 4814 1 939 . 1 1 98 98 GLN HB2 H 1 2.037 0.02 . . . . . . . . . . 4814 1 940 . 1 1 98 98 GLN HG3 H 1 2.415 0.02 . . . . . . . . . . 4814 1 941 . 1 1 98 98 GLN HG2 H 1 2.340 0.02 . . . . . . . . . . 4814 1 942 . 1 1 98 98 GLN HE21 H 1 7.440 0.02 . . . . . . . . . . 4814 1 943 . 1 1 98 98 GLN HE22 H 1 6.960 0.02 . . . . . . . . . . 4814 1 944 . 1 1 99 99 ASP N N 15 119.110 0.05 . . . . . . . . . . 4814 1 945 . 1 1 99 99 ASP H H 1 8.230 0.02 . . . . . . . . . . 4814 1 946 . 1 1 99 99 ASP CA C 13 57.177 0.05 . . . . . . . . . . 4814 1 947 . 1 1 99 99 ASP HA H 1 4.483 0.02 . . . . . . . . . . 4814 1 948 . 1 1 99 99 ASP CB C 13 40.310 0.05 . . . . . . . . . . 4814 1 949 . 1 1 99 99 ASP HB3 H 1 2.743 0.02 . . . . . . . . . . 4814 1 950 . 1 1 99 99 ASP HB2 H 1 2.683 0.02 . . . . . . . . . . 4814 1 951 . 1 1 100 100 GLN N N 15 121.693 0.05 . . . . . . . . . . 4814 1 952 . 1 1 100 100 GLN H H 1 8.427 0.02 . . . . . . . . . . 4814 1 953 . 1 1 100 100 GLN CA C 13 58.418 0.05 . . . . . . . . . . 4814 1 954 . 1 1 100 100 GLN HA H 1 4.185 0.02 . . . . . . . . . . 4814 1 955 . 1 1 100 100 GLN CB C 13 28.745 0.05 . . . . . . . . . . 4814 1 956 . 1 1 100 100 GLN HB3 H 1 2.073 0.02 . . . . . . . . . . 4814 1 957 . 1 1 100 100 GLN HB2 H 1 2.023 0.02 . . . . . . . . . . 4814 1 958 . 1 1 100 100 GLN HG3 H 1 2.225 0.02 . . . . . . . . . . 4814 1 959 . 1 1 100 100 GLN HG2 H 1 2.218 0.02 . . . . . . . . . . 4814 1 960 . 1 1 100 100 GLN HE21 H 1 7.970 0.02 . . . . . . . . . . 4814 1 961 . 1 1 100 100 GLN HE22 H 1 6.920 0.02 . . . . . . . . . . 4814 1 962 . 1 1 101 101 LEU N N 15 122.227 0.05 . . . . . . . . . . 4814 1 963 . 1 1 101 101 LEU H H 1 8.557 0.02 . . . . . . . . . . 4814 1 964 . 1 1 101 101 LEU CA C 13 59.267 0.05 . . . . . . . . . . 4814 1 965 . 1 1 101 101 LEU HA H 1 3.848 0.02 . . . . . . . . . . 4814 1 966 . 1 1 101 101 LEU CB C 13 41.733 0.05 . . . . . . . . . . 4814 1 967 . 1 1 101 101 LEU HB3 H 1 1.610 0.02 . . . . . . . . . . 4814 1 968 . 1 1 101 101 LEU HB2 H 1 1.710 0.02 . . . . . . . . . . 4814 1 969 . 1 1 101 101 LEU HG H 1 1.490 0.02 . . . . . . . . . . 4814 1 970 . 1 1 101 101 LEU HD21 H 1 0.690 0.02 . . . . . . . . . . 4814 1 971 . 1 1 101 101 LEU HD22 H 1 0.690 0.02 . . . . . . . . . . 4814 1 972 . 1 1 101 101 LEU HD23 H 1 0.690 0.02 . . . . . . . . . . 4814 1 973 . 1 1 101 101 LEU HD11 H 1 0.780 0.02 . . . . . . . . . . 4814 1 974 . 1 1 101 101 LEU HD12 H 1 0.780 0.02 . . . . . . . . . . 4814 1 975 . 1 1 101 101 LEU HD13 H 1 0.780 0.02 . . . . . . . . . . 4814 1 976 . 1 1 102 102 ASN N N 15 117.441 0.05 . . . . . . . . . . 4814 1 977 . 1 1 102 102 ASN H H 1 8.311 0.02 . . . . . . . . . . 4814 1 978 . 1 1 102 102 ASN CA C 13 56.333 0.05 . . . . . . . . . . 4814 1 979 . 1 1 102 102 ASN HA H 1 4.444 0.02 . . . . . . . . . . 4814 1 980 . 1 1 102 102 ASN CB C 13 38.270 0.05 . . . . . . . . . . 4814 1 981 . 1 1 102 102 ASN HB3 H 1 2.930 0.02 . . . . . . . . . . 4814 1 982 . 1 1 102 102 ASN HB2 H 1 2.888 0.02 . . . . . . . . . . 4814 1 983 . 1 1 102 102 ASN HD21 H 1 7.800 0.02 . . . . . . . . . . 4814 1 984 . 1 1 102 102 ASN HD22 H 1 6.915 0.02 . . . . . . . . . . 4814 1 985 . 1 1 103 103 SER N N 15 115.879 0.05 . . . . . . . . . . 4814 1 986 . 1 1 103 103 SER H H 1 8.475 0.02 . . . . . . . . . . 4814 1 987 . 1 1 103 103 SER CA C 13 61.473 0.05 . . . . . . . . . . 4814 1 988 . 1 1 103 103 SER HA H 1 4.260 0.02 . . . . . . . . . . 4814 1 989 . 1 1 103 103 SER CB C 13 62.860 0.05 . . . . . . . . . . 4814 1 990 . 1 1 103 103 SER HB3 H 1 4.013 0.02 . . . . . . . . . . 4814 1 991 . 1 1 103 103 SER HB2 H 1 3.980 0.02 . . . . . . . . . . 4814 1 992 . 1 1 104 104 LEU N N 15 123.388 0.05 . . . . . . . . . . 4814 1 993 . 1 1 104 104 LEU H H 1 8.093 0.02 . . . . . . . . . . 4814 1 994 . 1 1 104 104 LEU CA C 13 57.597 0.05 . . . . . . . . . . 4814 1 995 . 1 1 104 104 LEU HA H 1 4.310 0.02 . . . . . . . . . . 4814 1 996 . 1 1 104 104 LEU CB C 13 41.670 0.05 . . . . . . . . . . 4814 1 997 . 1 1 104 104 LEU HB3 H 1 1.845 0.02 . . . . . . . . . . 4814 1 998 . 1 1 104 104 LEU HB2 H 1 1.837 0.02 . . . . . . . . . . 4814 1 999 . 1 1 104 104 LEU HG H 1 1.760 0.02 . . . . . . . . . . 4814 1 1000 . 1 1 104 104 LEU HD11 H 1 0.864 0.02 . . . . . . . . . . 4814 1 1001 . 1 1 104 104 LEU HD12 H 1 0.864 0.02 . . . . . . . . . . 4814 1 1002 . 1 1 104 104 LEU HD13 H 1 0.864 0.02 . . . . . . . . . . 4814 1 1003 . 1 1 104 104 LEU HD21 H 1 0.710 0.02 . . . . . . . . . . 4814 1 1004 . 1 1 104 104 LEU HD22 H 1 0.710 0.02 . . . . . . . . . . 4814 1 1005 . 1 1 104 104 LEU HD23 H 1 0.710 0.02 . . . . . . . . . . 4814 1 1006 . 1 1 105 105 GLN N N 15 118.757 0.05 . . . . . . . . . . 4814 1 1007 . 1 1 105 105 GLN H H 1 8.569 0.02 . . . . . . . . . . 4814 1 1008 . 1 1 105 105 GLN CA C 13 60.467 0.05 . . . . . . . . . . 4814 1 1009 . 1 1 105 105 GLN HA H 1 3.795 0.02 . . . . . . . . . . 4814 1 1010 . 1 1 105 105 GLN CB C 13 28.670 0.05 . . . . . . . . . . 4814 1 1011 . 1 1 105 105 GLN HB3 H 1 2.225 0.02 . . . . . . . . . . 4814 1 1012 . 1 1 105 105 GLN HB2 H 1 2.208 0.02 . . . . . . . . . . 4814 1 1013 . 1 1 105 105 GLN HG3 H 1 2.377 0.02 . . . . . . . . . . 4814 1 1014 . 1 1 105 105 GLN HG2 H 1 2.350 0.02 . . . . . . . . . . 4814 1 1015 . 1 1 106 106 SER N N 15 114.825 0.05 . . . . . . . . . . 4814 1 1016 . 1 1 106 106 SER H H 1 8.288 0.02 . . . . . . . . . . 4814 1 1017 . 1 1 106 106 SER CA C 13 61.650 0.05 . . . . . . . . . . 4814 1 1018 . 1 1 106 106 SER HA H 1 4.230 0.02 . . . . . . . . . . 4814 1 1019 . 1 1 106 106 SER CB C 13 62.735 0.05 . . . . . . . . . . 4814 1 1020 . 1 1 106 106 SER HB3 H 1 4.053 0.02 . . . . . . . . . . 4814 1 1021 . 1 1 106 106 SER HB2 H 1 3.975 0.02 . . . . . . . . . . 4814 1 1022 . 1 1 107 107 ALA N N 15 124.647 0.05 . . . . . . . . . . 4814 1 1023 . 1 1 107 107 ALA H H 1 8.117 0.02 . . . . . . . . . . 4814 1 1024 . 1 1 107 107 ALA CA C 13 55.780 0.05 . . . . . . . . . . 4814 1 1025 . 1 1 107 107 ALA HA H 1 4.350 0.02 . . . . . . . . . . 4814 1 1026 . 1 1 107 107 ALA CB C 13 18.517 0.05 . . . . . . . . . . 4814 1 1027 . 1 1 107 107 ALA HB1 H 1 1.652 0.02 . . . . . . . . . . 4814 1 1028 . 1 1 107 107 ALA HB2 H 1 1.652 0.02 . . . . . . . . . . 4814 1 1029 . 1 1 107 107 ALA HB3 H 1 1.652 0.02 . . . . . . . . . . 4814 1 1030 . 1 1 108 108 LEU N N 15 116.682 0.05 . . . . . . . . . . 4814 1 1031 . 1 1 108 108 LEU H H 1 8.114 0.02 . . . . . . . . . . 4814 1 1032 . 1 1 108 108 LEU CA C 13 58.93 0.05 . . . . . . . . . . 4814 1 1033 . 1 1 108 108 LEU CB C 13 42.085 0.05 . . . . . . . . . . 4814 1 1034 . 1 1 108 108 LEU HB3 H 1 1.640 0.02 . . . . . . . . . . 4814 1 1035 . 1 1 108 108 LEU HB2 H 1 1.570 0.02 . . . . . . . . . . 4814 1 1036 . 1 1 108 108 LEU HG H 1 1.413 0.02 . . . . . . . . . . 4814 1 1037 . 1 1 108 108 LEU HD11 H 1 0.550 0.02 . . . . . . . . . . 4814 1 1038 . 1 1 108 108 LEU HD12 H 1 0.550 0.02 . . . . . . . . . . 4814 1 1039 . 1 1 108 108 LEU HD13 H 1 0.550 0.02 . . . . . . . . . . 4814 1 1040 . 1 1 108 108 LEU HD21 H 1 0.360 0.02 . . . . . . . . . . 4814 1 1041 . 1 1 108 108 LEU HD22 H 1 0.360 0.02 . . . . . . . . . . 4814 1 1042 . 1 1 108 108 LEU HD23 H 1 0.360 0.02 . . . . . . . . . . 4814 1 1043 . 1 1 109 109 THR N N 15 112.674 0.05 . . . . . . . . . . 4814 1 1044 . 1 1 109 109 THR H H 1 8.088 0.02 . . . . . . . . . . 4814 1 1045 . 1 1 109 109 THR CA C 13 66.260 0.05 . . . . . . . . . . 4814 1 1046 . 1 1 109 109 THR HA H 1 4.210 0.02 . . . . . . . . . . 4814 1 1047 . 1 1 109 109 THR CB C 13 68.527 0.05 . . . . . . . . . . 4814 1 1048 . 1 1 109 109 THR HB H 1 3.787 0.02 . . . . . . . . . . 4814 1 1049 . 1 1 109 109 THR HG21 H 1 1.147 0.02 . . . . . . . . . . 4814 1 1050 . 1 1 109 109 THR HG22 H 1 1.147 0.02 . . . . . . . . . . 4814 1 1051 . 1 1 109 109 THR HG23 H 1 1.147 0.02 . . . . . . . . . . 4814 1 1052 . 1 1 110 110 ASN N N 15 122.104 0.05 . . . . . . . . . . 4814 1 1053 . 1 1 110 110 ASN H H 1 8.883 0.02 . . . . . . . . . . 4814 1 1054 . 1 1 110 110 ASN CA C 13 56.540 0.05 . . . . . . . . . . 4814 1 1055 . 1 1 110 110 ASN HA H 1 4.620 0.02 . . . . . . . . . . 4814 1 1056 . 1 1 110 110 ASN CB C 13 37.843 0.05 . . . . . . . . . . 4814 1 1057 . 1 1 110 110 ASN HB3 H 1 3.175 0.02 . . . . . . . . . . 4814 1 1058 . 1 1 110 110 ASN HB2 H 1 2.950 0.02 . . . . . . . . . . 4814 1 1059 . 1 1 110 110 ASN HD21 H 1 7.640 0.02 . . . . . . . . . . 4814 1 1060 . 1 1 110 110 ASN HD22 H 1 7.010 0.02 . . . . . . . . . . 4814 1 1061 . 1 1 111 111 VAL N N 15 121.947 0.05 . . . . . . . . . . 4814 1 1062 . 1 1 111 111 VAL H H 1 8.555 0.02 . . . . . . . . . . 4814 1 1063 . 1 1 111 111 VAL CA C 13 67.553 0.05 . . . . . . . . . . 4814 1 1064 . 1 1 111 111 VAL HA H 1 3.740 0.02 . . . . . . . . . . 4814 1 1065 . 1 1 111 111 VAL CB C 13 31.740 0.05 . . . . . . . . . . 4814 1 1066 . 1 1 111 111 VAL HB H 1 2.650 0.02 . . . . . . . . . . 4814 1 1067 . 1 1 111 111 VAL HG21 H 1 0.780 0.02 . . . . . . . . . . 4814 1 1068 . 1 1 111 111 VAL HG22 H 1 0.780 0.02 . . . . . . . . . . 4814 1 1069 . 1 1 111 111 VAL HG23 H 1 0.780 0.02 . . . . . . . . . . 4814 1 1070 . 1 1 111 111 VAL HG11 H 1 0.875 0.02 . . . . . . . . . . 4814 1 1071 . 1 1 111 111 VAL HG12 H 1 0.875 0.02 . . . . . . . . . . 4814 1 1072 . 1 1 111 111 VAL HG13 H 1 0.875 0.02 . . . . . . . . . . 4814 1 1073 . 1 1 112 112 GLY N N 15 106.346 0.05 . . . . . . . . . . 4814 1 1074 . 1 1 112 112 GLY H H 1 8.315 0.02 . . . . . . . . . . 4814 1 1075 . 1 1 112 112 GLY CA C 13 48.453 0.05 . . . . . . . . . . 4814 1 1076 . 1 1 112 112 GLY HA3 H 1 4.097 0.02 . . . . . . . . . . 4814 1 1077 . 1 1 112 112 GLY HA2 H 1 3.907 0.02 . . . . . . . . . . 4814 1 1078 . 1 1 113 113 HIS N N 15 120.983 0.05 . . . . . . . . . . 4814 1 1079 . 1 1 113 113 HIS H H 1 8.527 0.02 . . . . . . . . . . 4814 1 1080 . 1 1 113 113 HIS CA C 13 58.840 0.05 . . . . . . . . . . 4814 1 1081 . 1 1 113 113 HIS HA H 1 4.512 0.02 . . . . . . . . . . 4814 1 1082 . 1 1 113 113 HIS CB C 13 29.417 0.05 . . . . . . . . . . 4814 1 1083 . 1 1 113 113 HIS HB3 H 1 3.430 0.02 . . . . . . . . . . 4814 1 1084 . 1 1 113 113 HIS HB2 H 1 3.368 0.02 . . . . . . . . . . 4814 1 1085 . 1 1 113 113 HIS HD2 H 1 8.040 0.02 . . . . . . . . . . 4814 1 1086 . 1 1 113 113 HIS HE1 H 1 7.110 0.02 . . . . . . . . . . 4814 1 1087 . 1 1 114 114 GLN N N 15 118.752 0.05 . . . . . . . . . . 4814 1 1088 . 1 1 114 114 GLN H H 1 8.070 0.02 . . . . . . . . . . 4814 1 1089 . 1 1 114 114 GLN CA C 13 59.300 0.05 . . . . . . . . . . 4814 1 1090 . 1 1 114 114 GLN HA H 1 4.320 0.02 . . . . . . . . . . 4814 1 1091 . 1 1 114 114 GLN CB C 13 29.600 0.05 . . . . . . . . . . 4814 1 1092 . 1 1 114 114 GLN HB3 H 1 2.140 0.02 . . . . . . . . . . 4814 1 1093 . 1 1 114 114 GLN HB2 H 1 2.040 0.02 . . . . . . . . . . 4814 1 1094 . 1 1 114 114 GLN HG3 H 1 2.380 0.02 . . . . . . . . . . 4814 1 1095 . 1 1 114 114 GLN HG2 H 1 2.350 0.02 . . . . . . . . . . 4814 1 1096 . 1 1 114 114 GLN HE21 H 1 7.540 0.02 . . . . . . . . . . 4814 1 1097 . 1 1 114 114 GLN HE22 H 1 7.330 0.02 . . . . . . . . . . 4814 1 1098 . 1 1 115 115 TRP N N 15 118.737 0.05 . . . . . . . . . . 4814 1 1099 . 1 1 115 115 TRP H H 1 8.378 0.02 . . . . . . . . . . 4814 1 1100 . 1 1 115 115 TRP CA C 13 58.533 0.05 . . . . . . . . . . 4814 1 1101 . 1 1 115 115 TRP HA H 1 4.070 0.02 . . . . . . . . . . 4814 1 1102 . 1 1 115 115 TRP CB C 13 28.597 0.05 . . . . . . . . . . 4814 1 1103 . 1 1 115 115 TRP HB3 H 1 3.230 0.02 . . . . . . . . . . 4814 1 1104 . 1 1 115 115 TRP HB2 H 1 3.210 0.02 . . . . . . . . . . 4814 1 1105 . 1 1 115 115 TRP HD1 H 1 7.040 0.02 . . . . . . . . . . 4814 1 1106 . 1 1 115 115 TRP HE3 H 1 7.810 0.02 . . . . . . . . . . 4814 1 1107 . 1 1 115 115 TRP HZ2 H 1 7.300 0.02 . . . . . . . . . . 4814 1 1108 . 1 1 115 115 TRP HZ3 H 1 6.690 0.02 . . . . . . . . . . 4814 1 1109 . 1 1 115 115 TRP HH2 H 1 6.780 0.02 . . . . . . . . . . 4814 1 1110 . 1 1 116 116 GLN N N 15 119.576 0.05 . . . . . . . . . . 4814 1 1111 . 1 1 116 116 GLN H H 1 8.150 0.02 . . . . . . . . . . 4814 1 1112 . 1 1 116 116 GLN CA C 13 59.233 0.05 . . . . . . . . . . 4814 1 1113 . 1 1 116 116 GLN HA H 1 4.045 0.02 . . . . . . . . . . 4814 1 1114 . 1 1 116 116 GLN CB C 13 28.323 0.05 . . . . . . . . . . 4814 1 1115 . 1 1 116 116 GLN HB3 H 1 2.183 0.02 . . . . . . . . . . 4814 1 1116 . 1 1 116 116 GLN HB2 H 1 2.087 0.02 . . . . . . . . . . 4814 1 1117 . 1 1 116 116 GLN HG3 H 1 2.470 0.02 . . . . . . . . . . 4814 1 1118 . 1 1 116 116 GLN HG2 H 1 2.260 0.02 . . . . . . . . . . 4814 1 1119 . 1 1 116 116 GLN HE21 H 1 7.360 0.02 . . . . . . . . . . 4814 1 1120 . 1 1 116 116 GLN HE22 H 1 7.397 0.02 . . . . . . . . . . 4814 1 1121 . 1 1 117 117 ASP N N 15 120.120 0.05 . . . . . . . . . . 4814 1 1122 . 1 1 117 117 ASP H H 1 7.852 0.02 . . . . . . . . . . 4814 1 1123 . 1 1 117 117 ASP CA C 13 57.527 0.05 . . . . . . . . . . 4814 1 1124 . 1 1 117 117 ASP HA H 1 4.338 0.02 . . . . . . . . . . 4814 1 1125 . 1 1 117 117 ASP CB C 13 41.230 0.05 . . . . . . . . . . 4814 1 1126 . 1 1 117 117 ASP HB3 H 1 2.690 0.02 . . . . . . . . . . 4814 1 1127 . 1 1 117 117 ASP HB2 H 1 2.630 0.02 . . . . . . . . . . 4814 1 1128 . 1 1 118 118 ILE N N 15 119.627 0.05 . . . . . . . . . . 4814 1 1129 . 1 1 118 118 ILE H H 1 7.715 0.02 . . . . . . . . . . 4814 1 1130 . 1 1 118 118 ILE CA C 13 62.617 0.05 . . . . . . . . . . 4814 1 1131 . 1 1 118 118 ILE HA H 1 4.065 0.02 . . . . . . . . . . 4814 1 1132 . 1 1 118 118 ILE CB C 13 36.820 0.05 . . . . . . . . . . 4814 1 1133 . 1 1 118 118 ILE HB H 1 2.130 0.02 . . . . . . . . . . 4814 1 1134 . 1 1 118 118 ILE HG13 H 1 1.480 0.02 . . . . . . . . . . 4814 1 1135 . 1 1 118 118 ILE HG12 H 1 1.240 0.02 . . . . . . . . . . 4814 1 1136 . 1 1 118 118 ILE HD11 H 1 -0.040 0.02 . . . . . . . . . . 4814 1 1137 . 1 1 118 118 ILE HD12 H 1 -0.040 0.02 . . . . . . . . . . 4814 1 1138 . 1 1 118 118 ILE HD13 H 1 -0.040 0.02 . . . . . . . . . . 4814 1 1139 . 1 1 118 118 ILE HG21 H 1 0.270 0.02 . . . . . . . . . . 4814 1 1140 . 1 1 118 118 ILE HG22 H 1 0.270 0.02 . . . . . . . . . . 4814 1 1141 . 1 1 118 118 ILE HG23 H 1 0.270 0.02 . . . . . . . . . . 4814 1 1142 . 1 1 119 119 ALA N N 15 124.207 0.05 . . . . . . . . . . 4814 1 1143 . 1 1 119 119 ALA H H 1 8.049 0.02 . . . . . . . . . . 4814 1 1144 . 1 1 119 119 ALA CA C 13 55.327 0.05 . . . . . . . . . . 4814 1 1145 . 1 1 119 119 ALA HA H 1 4.225 0.02 . . . . . . . . . . 4814 1 1146 . 1 1 119 119 ALA CB C 13 18.017 0.05 . . . . . . . . . . 4814 1 1147 . 1 1 119 119 ALA HB1 H 1 1.470 0.02 . . . . . . . . . . 4814 1 1148 . 1 1 119 119 ALA HB2 H 1 1.470 0.02 . . . . . . . . . . 4814 1 1149 . 1 1 119 119 ALA HB3 H 1 1.470 0.02 . . . . . . . . . . 4814 1 1150 . 1 1 120 120 THR N N 15 114.130 0.05 . . . . . . . . . . 4814 1 1151 . 1 1 120 120 THR H H 1 7.976 0.02 . . . . . . . . . . 4814 1 1152 . 1 1 120 120 THR CA C 13 65.870 0.05 . . . . . . . . . . 4814 1 1153 . 1 1 120 120 THR CB C 13 68.763 0.05 . . . . . . . . . . 4814 1 1154 . 1 1 120 120 THR HB H 1 3.875 0.02 . . . . . . . . . . 4814 1 1155 . 1 1 120 120 THR HG21 H 1 1.210 0.02 . . . . . . . . . . 4814 1 1156 . 1 1 120 120 THR HG22 H 1 1.210 0.02 . . . . . . . . . . 4814 1 1157 . 1 1 120 120 THR HG23 H 1 1.210 0.02 . . . . . . . . . . 4814 1 1158 . 1 1 121 121 LYS N N 15 121.611 0.05 . . . . . . . . . . 4814 1 1159 . 1 1 121 121 LYS H H 1 7.948 0.02 . . . . . . . . . . 4814 1 1160 . 1 1 121 121 LYS CA C 13 59.173 0.05 . . . . . . . . . . 4814 1 1161 . 1 1 121 121 LYS HA H 1 3.980 0.02 . . . . . . . . . . 4814 1 1162 . 1 1 121 121 LYS CB C 13 32.707 0.05 . . . . . . . . . . 4814 1 1163 . 1 1 121 121 LYS HB3 H 1 1.710 0.02 . . . . . . . . . . 4814 1 1164 . 1 1 121 121 LYS HB2 H 1 1.610 0.02 . . . . . . . . . . 4814 1 1165 . 1 1 121 121 LYS HG3 H 1 1.380 0.02 . . . . . . . . . . 4814 1 1166 . 1 1 121 121 LYS HG2 H 1 1.210 0.02 . . . . . . . . . . 4814 1 1167 . 1 1 121 121 LYS HD3 H 1 1.480 0.02 . . . . . . . . . . 4814 1 1168 . 1 1 121 121 LYS HD2 H 1 1.460 0.02 . . . . . . . . . . 4814 1 1169 . 1 1 121 121 LYS HE3 H 1 3.510 0.02 . . . . . . . . . . 4814 1 1170 . 1 1 121 121 LYS HE2 H 1 3.255 0.02 . . . . . . . . . . 4814 1 1171 . 1 1 122 122 THR N N 15 108.547 0.05 . . . . . . . . . . 4814 1 1172 . 1 1 122 122 THR H H 1 7.629 0.02 . . . . . . . . . . 4814 1 1173 . 1 1 122 122 THR CA C 13 63.757 0.05 . . . . . . . . . . 4814 1 1174 . 1 1 122 122 THR HA H 1 3.260 0.02 . . . . . . . . . . 4814 1 1175 . 1 1 122 122 THR CB C 13 69.157 0.05 . . . . . . . . . . 4814 1 1176 . 1 1 122 122 THR HB H 1 3.633 0.02 . . . . . . . . . . 4814 1 1177 . 1 1 122 122 THR HG21 H 1 0.283 0.02 . . . . . . . . . . 4814 1 1178 . 1 1 122 122 THR HG22 H 1 0.283 0.02 . . . . . . . . . . 4814 1 1179 . 1 1 122 122 THR HG23 H 1 0.283 0.02 . . . . . . . . . . 4814 1 1180 . 1 1 123 123 GLN N N 15 118.666 0.05 . . . . . . . . . . 4814 1 1181 . 1 1 123 123 GLN H H 1 7.178 0.02 . . . . . . . . . . 4814 1 1182 . 1 1 123 123 GLN CA C 13 56.590 0.05 . . . . . . . . . . 4814 1 1183 . 1 1 123 123 GLN HA H 1 4.215 0.02 . . . . . . . . . . 4814 1 1184 . 1 1 123 123 GLN CB C 13 29.593 0.05 . . . . . . . . . . 4814 1 1185 . 1 1 123 123 GLN HB3 H 1 2.150 0.02 . . . . . . . . . . 4814 1 1186 . 1 1 123 123 GLN HB2 H 1 1.985 0.02 . . . . . . . . . . 4814 1 1187 . 1 1 123 123 GLN HG3 H 1 2.390 0.02 . . . . . . . . . . 4814 1 1188 . 1 1 123 123 GLN HG2 H 1 2.315 0.02 . . . . . . . . . . 4814 1 1189 . 1 1 123 123 GLN HE21 H 1 7.800 0.02 . . . . . . . . . . 4814 1 1190 . 1 1 123 123 GLN HE22 H 1 6.840 0.02 . . . . . . . . . . 4814 1 1191 . 1 1 124 124 ALA N N 15 121.766 0.05 . . . . . . . . . . 4814 1 1192 . 1 1 124 124 ALA H H 1 7.600 0.02 . . . . . . . . . . 4814 1 1193 . 1 1 124 124 ALA CA C 13 52.947 0.05 . . . . . . . . . . 4814 1 1194 . 1 1 124 124 ALA HA H 1 4.340 0.02 . . . . . . . . . . 4814 1 1195 . 1 1 124 124 ALA CB C 13 19.277 0.05 . . . . . . . . . . 4814 1 1196 . 1 1 124 124 ALA HB1 H 1 1.445 0.02 . . . . . . . . . . 4814 1 1197 . 1 1 124 124 ALA HB2 H 1 1.445 0.02 . . . . . . . . . . 4814 1 1198 . 1 1 124 124 ALA HB3 H 1 1.445 0.02 . . . . . . . . . . 4814 1 1199 . 1 1 125 125 SER N N 15 113.116 0.05 . . . . . . . . . . 4814 1 1200 . 1 1 125 125 SER H H 1 7.618 0.02 . . . . . . . . . . 4814 1 1201 . 1 1 125 125 SER CA C 13 58.410 0.05 . . . . . . . . . . 4814 1 1202 . 1 1 125 125 SER HA H 1 4.508 0.02 . . . . . . . . . . 4814 1 1203 . 1 1 125 125 SER CB C 13 64.063 0.05 . . . . . . . . . . 4814 1 1204 . 1 1 125 125 SER HB3 H 1 3.945 0.02 . . . . . . . . . . 4814 1 1205 . 1 1 125 125 SER HB2 H 1 3.930 0.02 . . . . . . . . . . 4814 1 1206 . 1 1 126 126 ALA N N 15 124.713 0.05 . . . . . . . . . . 4814 1 1207 . 1 1 126 126 ALA H H 1 8.354 0.02 . . . . . . . . . . 4814 1 1208 . 1 1 126 126 ALA CA C 13 52.743 0.05 . . . . . . . . . . 4814 1 1209 . 1 1 126 126 ALA HA H 1 4.423 0.02 . . . . . . . . . . 4814 1 1210 . 1 1 126 126 ALA CB C 13 18.697 0.05 . . . . . . . . . . 4814 1 1211 . 1 1 126 126 ALA HB1 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1212 . 1 1 126 126 ALA HB2 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1213 . 1 1 126 126 ALA HB3 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1214 . 1 1 127 127 GLN N N 15 120.035 0.05 . . . . . . . . . . 4814 1 1215 . 1 1 127 127 GLN H H 1 8.477 0.02 . . . . . . . . . . 4814 1 1216 . 1 1 127 127 GLN CA C 13 58.343 0.05 . . . . . . . . . . 4814 1 1217 . 1 1 127 127 GLN HA H 1 4.210 0.02 . . . . . . . . . . 4814 1 1218 . 1 1 127 127 GLN CB C 13 28.770 0.05 . . . . . . . . . . 4814 1 1219 . 1 1 127 127 GLN HB3 H 1 2.150 0.02 . . . . . . . . . . 4814 1 1220 . 1 1 127 127 GLN HB2 H 1 2.100 0.02 . . . . . . . . . . 4814 1 1221 . 1 1 127 127 GLN HG3 H 1 2.435 0.02 . . . . . . . . . . 4814 1 1222 . 1 1 127 127 GLN HG2 H 1 2.425 0.02 . . . . . . . . . . 4814 1 1223 . 1 1 127 127 GLN HE22 H 1 7.360 0.02 . . . . . . . . . . 4814 1 1224 . 1 1 128 128 GLU N N 15 119.609 0.05 . . . . . . . . . . 4814 1 1225 . 1 1 128 128 GLU H H 1 8.935 0.02 . . . . . . . . . . 4814 1 1226 . 1 1 128 128 GLU CA C 13 58.833 0.05 . . . . . . . . . . 4814 1 1227 . 1 1 128 128 GLU HA H 1 4.155 0.02 . . . . . . . . . . 4814 1 1228 . 1 1 128 128 GLU CB C 13 29.143 0.05 . . . . . . . . . . 4814 1 1229 . 1 1 128 128 GLU HB3 H 1 2.050 0.02 . . . . . . . . . . 4814 1 1230 . 1 1 128 128 GLU HB2 H 1 2.030 0.02 . . . . . . . . . . 4814 1 1231 . 1 1 128 128 GLU HG3 H 1 2.325 0.02 . . . . . . . . . . 4814 1 1232 . 1 1 128 128 GLU HG2 H 1 2.300 0.02 . . . . . . . . . . 4814 1 1233 . 1 1 129 129 ALA N N 15 121.783 0.05 . . . . . . . . . . 4814 1 1234 . 1 1 129 129 ALA H H 1 7.833 0.02 . . . . . . . . . . 4814 1 1235 . 1 1 129 129 ALA CA C 13 53.843 0.05 . . . . . . . . . . 4814 1 1236 . 1 1 129 129 ALA HA H 1 4.145 0.02 . . . . . . . . . . 4814 1 1237 . 1 1 129 129 ALA CB C 13 18.537 0.05 . . . . . . . . . . 4814 1 1238 . 1 1 129 129 ALA HB1 H 1 1.308 0.02 . . . . . . . . . . 4814 1 1239 . 1 1 129 129 ALA HB2 H 1 1.308 0.02 . . . . . . . . . . 4814 1 1240 . 1 1 129 129 ALA HB3 H 1 1.308 0.02 . . . . . . . . . . 4814 1 1241 . 1 1 130 130 TRP N N 15 114.054 0.05 . . . . . . . . . . 4814 1 1242 . 1 1 130 130 TRP H H 1 7.517 0.02 . . . . . . . . . . 4814 1 1243 . 1 1 130 130 TRP CA C 13 57.757 0.05 . . . . . . . . . . 4814 1 1244 . 1 1 130 130 TRP HA H 1 4.315 0.02 . . . . . . . . . . 4814 1 1245 . 1 1 130 130 TRP CB C 13 29.843 0.05 . . . . . . . . . . 4814 1 1246 . 1 1 130 130 TRP HB3 H 1 3.283 0.02 . . . . . . . . . . 4814 1 1247 . 1 1 130 130 TRP HB2 H 1 3.017 0.02 . . . . . . . . . . 4814 1 1248 . 1 1 130 130 TRP HD1 H 1 7.250 0.02 . . . . . . . . . . 4814 1 1249 . 1 1 130 130 TRP HE1 H 1 10.010 0.02 . . . . . . . . . . 4814 1 1250 . 1 1 130 130 TRP HE3 H 1 7.460 0.02 . . . . . . . . . . 4814 1 1251 . 1 1 130 130 TRP HZ2 H 1 7.360 0.02 . . . . . . . . . . 4814 1 1252 . 1 1 130 130 TRP HZ3 H 1 6.890 0.02 . . . . . . . . . . 4814 1 1253 . 1 1 130 130 TRP HH2 H 1 7.300 0.02 . . . . . . . . . . 4814 1 1254 . 1 1 131 131 ALA N N 15 125.049 0.05 . . . . . . . . . . 4814 1 1255 . 1 1 131 131 ALA H H 1 7.907 0.02 . . . . . . . . . . 4814 1 1256 . 1 1 131 131 ALA CA C 13 56.900 0.05 . . . . . . . . . . 4814 1 1257 . 1 1 131 131 ALA HA H 1 4.315 0.02 . . . . . . . . . . 4814 1 1258 . 1 1 131 131 ALA CB C 13 16.040 0.05 . . . . . . . . . . 4814 1 1259 . 1 1 131 131 ALA HB1 H 1 1.564 0.02 . . . . . . . . . . 4814 1 1260 . 1 1 131 131 ALA HB2 H 1 1.564 0.02 . . . . . . . . . . 4814 1 1261 . 1 1 131 131 ALA HB3 H 1 1.564 0.02 . . . . . . . . . . 4814 1 1262 . 1 1 132 132 PRO CA C 13 65.310 0.05 . . . . . . . . . . 4814 1 1263 . 1 1 132 132 PRO CB C 13 32.120 0.05 . . . . . . . . . . 4814 1 1264 . 1 1 132 132 PRO HG3 H 1 2.050 0.02 . . . . . . . . . . 4814 1 1265 . 1 1 132 132 PRO HG2 H 1 1.930 0.02 . . . . . . . . . . 4814 1 1266 . 1 1 132 132 PRO HD3 H 1 3.728 0.02 . . . . . . . . . . 4814 1 1267 . 1 1 132 132 PRO HD2 H 1 3.537 0.02 . . . . . . . . . . 4814 1 1268 . 1 1 133 133 VAL N N 15 111.215 0.05 . . . . . . . . . . 4814 1 1269 . 1 1 133 133 VAL H H 1 7.525 0.02 . . . . . . . . . . 4814 1 1270 . 1 1 133 133 VAL CA C 13 60.687 0.05 . . . . . . . . . . 4814 1 1271 . 1 1 133 133 VAL HA H 1 4.473 0.02 . . . . . . . . . . 4814 1 1272 . 1 1 133 133 VAL CB C 13 32.645 0.05 . . . . . . . . . . 4814 1 1273 . 1 1 133 133 VAL HB H 1 2.327 0.02 . . . . . . . . . . 4814 1 1274 . 1 1 133 133 VAL HG11 H 1 0.837 0.02 . . . . . . . . . . 4814 1 1275 . 1 1 133 133 VAL HG12 H 1 0.837 0.02 . . . . . . . . . . 4814 1 1276 . 1 1 133 133 VAL HG13 H 1 0.837 0.02 . . . . . . . . . . 4814 1 1277 . 1 1 133 133 VAL HG21 H 1 0.687 0.02 . . . . . . . . . . 4814 1 1278 . 1 1 133 133 VAL HG22 H 1 0.687 0.02 . . . . . . . . . . 4814 1 1279 . 1 1 133 133 VAL HG23 H 1 0.687 0.02 . . . . . . . . . . 4814 1 1280 . 1 1 134 134 GLN N N 15 120.771 0.05 . . . . . . . . . . 4814 1 1281 . 1 1 134 134 GLN H H 1 7.685 0.02 . . . . . . . . . . 4814 1 1282 . 1 1 134 134 GLN CA C 13 60.305 0.05 . . . . . . . . . . 4814 1 1283 . 1 1 134 134 GLN HA H 1 3.940 0.02 . . . . . . . . . . 4814 1 1284 . 1 1 134 134 GLN CB C 13 28.420 0.05 . . . . . . . . . . 4814 1 1285 . 1 1 134 134 GLN HB3 H 1 2.230 0.02 . . . . . . . . . . 4814 1 1286 . 1 1 134 134 GLN HB2 H 1 2.190 0.02 . . . . . . . . . . 4814 1 1287 . 1 1 134 134 GLN HG3 H 1 2.610 0.02 . . . . . . . . . . 4814 1 1288 . 1 1 134 134 GLN HG2 H 1 2.530 0.02 . . . . . . . . . . 4814 1 1289 . 1 1 134 134 GLN HE21 H 1 6.850 0.02 . . . . . . . . . . 4814 1 1290 . 1 1 134 134 GLN HE22 H 1 7.280 0.02 . . . . . . . . . . 4814 1 1291 . 1 1 135 135 SER N N 15 114.586 0.05 . . . . . . . . . . 4814 1 1292 . 1 1 135 135 SER H H 1 8.808 0.02 . . . . . . . . . . 4814 1 1293 . 1 1 135 135 SER CA C 13 60.160 0.05 . . . . . . . . . . 4814 1 1294 . 1 1 135 135 SER HA H 1 4.710 0.02 . . . . . . . . . . 4814 1 1295 . 1 1 135 135 SER CB C 13 62.143 0.05 . . . . . . . . . . 4814 1 1296 . 1 1 135 135 SER HB3 H 1 4.193 0.02 . . . . . . . . . . 4814 1 1297 . 1 1 135 135 SER HB2 H 1 3.945 0.02 . . . . . . . . . . 4814 1 1298 . 1 1 136 136 ALA N N 15 124.835 0.05 . . . . . . . . . . 4814 1 1299 . 1 1 136 136 ALA H H 1 7.927 0.02 . . . . . . . . . . 4814 1 1300 . 1 1 136 136 ALA CA C 13 54.810 0.05 . . . . . . . . . . 4814 1 1301 . 1 1 136 136 ALA HA H 1 4.282 0.02 . . . . . . . . . . 4814 1 1302 . 1 1 136 136 ALA CB C 13 17.867 0.05 . . . . . . . . . . 4814 1 1303 . 1 1 136 136 ALA HB1 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1304 . 1 1 136 136 ALA HB2 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1305 . 1 1 136 136 ALA HB3 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1306 . 1 1 137 137 LEU N N 15 118.660 0.05 . . . . . . . . . . 4814 1 1307 . 1 1 137 137 LEU H H 1 8.289 0.02 . . . . . . . . . . 4814 1 1308 . 1 1 137 137 LEU CA C 13 58.193 0.05 . . . . . . . . . . 4814 1 1309 . 1 1 137 137 LEU HA H 1 4.273 0.02 . . . . . . . . . . 4814 1 1310 . 1 1 137 137 LEU CB C 13 42.710 0.05 . . . . . . . . . . 4814 1 1311 . 1 1 137 137 LEU HB3 H 1 1.490 0.02 . . . . . . . . . . 4814 1 1312 . 1 1 137 137 LEU HB2 H 1 1.465 0.02 . . . . . . . . . . 4814 1 1313 . 1 1 137 137 LEU HG H 1 1.900 0.02 . . . . . . . . . . 4814 1 1314 . 1 1 137 137 LEU HD11 H 1 0.850 0.02 . . . . . . . . . . 4814 1 1315 . 1 1 137 137 LEU HD12 H 1 0.850 0.02 . . . . . . . . . . 4814 1 1316 . 1 1 137 137 LEU HD13 H 1 0.850 0.02 . . . . . . . . . . 4814 1 1317 . 1 1 137 137 LEU HD21 H 1 0.695 0.02 . . . . . . . . . . 4814 1 1318 . 1 1 137 137 LEU HD22 H 1 0.695 0.02 . . . . . . . . . . 4814 1 1319 . 1 1 137 137 LEU HD23 H 1 0.695 0.02 . . . . . . . . . . 4814 1 1320 . 1 1 138 138 GLN N N 15 120.033 0.05 . . . . . . . . . . 4814 1 1321 . 1 1 138 138 GLN H H 1 8.697 0.02 . . . . . . . . . . 4814 1 1322 . 1 1 138 138 GLN CA C 13 59.873 0.05 . . . . . . . . . . 4814 1 1323 . 1 1 138 138 GLN HA H 1 3.690 0.02 . . . . . . . . . . 4814 1 1324 . 1 1 138 138 GLN CB C 13 27.873 0.05 . . . . . . . . . . 4814 1 1325 . 1 1 138 138 GLN HB3 H 1 2.180 0.02 . . . . . . . . . . 4814 1 1326 . 1 1 138 138 GLN HB2 H 1 2.140 0.02 . . . . . . . . . . 4814 1 1327 . 1 1 138 138 GLN HG3 H 1 2.260 0.02 . . . . . . . . . . 4814 1 1328 . 1 1 138 138 GLN HG2 H 1 2.225 0.02 . . . . . . . . . . 4814 1 1329 . 1 1 138 138 GLN HE21 H 1 6.740 0.02 . . . . . . . . . . 4814 1 1330 . 1 1 138 138 GLN HE22 H 1 7.457 0.02 . . . . . . . . . . 4814 1 1331 . 1 1 139 139 GLU N N 15 119.241 0.05 . . . . . . . . . . 4814 1 1332 . 1 1 139 139 GLU H H 1 8.139 0.02 . . . . . . . . . . 4814 1 1333 . 1 1 139 139 GLU CA C 13 59.327 0.05 . . . . . . . . . . 4814 1 1334 . 1 1 139 139 GLU HA H 1 4.074 0.02 . . . . . . . . . . 4814 1 1335 . 1 1 139 139 GLU CB C 13 29.673 0.05 . . . . . . . . . . 4814 1 1336 . 1 1 139 139 GLU HB3 H 1 2.195 0.02 . . . . . . . . . . 4814 1 1337 . 1 1 139 139 GLU HB2 H 1 2.130 0.02 . . . . . . . . . . 4814 1 1338 . 1 1 139 139 GLU HG3 H 1 2.460 0.02 . . . . . . . . . . 4814 1 1339 . 1 1 139 139 GLU HG2 H 1 2.290 0.02 . . . . . . . . . . 4814 1 1340 . 1 1 140 140 ALA N N 15 121.339 0.05 . . . . . . . . . . 4814 1 1341 . 1 1 140 140 ALA H H 1 8.049 0.02 . . . . . . . . . . 4814 1 1342 . 1 1 140 140 ALA CA C 13 54.835 0.05 . . . . . . . . . . 4814 1 1343 . 1 1 140 140 ALA HA H 1 4.357 0.02 . . . . . . . . . . 4814 1 1344 . 1 1 140 140 ALA CB C 13 18.573 0.05 . . . . . . . . . . 4814 1 1345 . 1 1 140 140 ALA HB1 H 1 1.910 0.02 . . . . . . . . . . 4814 1 1346 . 1 1 140 140 ALA HB2 H 1 1.910 0.02 . . . . . . . . . . 4814 1 1347 . 1 1 140 140 ALA HB3 H 1 1.910 0.02 . . . . . . . . . . 4814 1 1348 . 1 1 141 141 ALA N N 15 126.879 0.05 . . . . . . . . . . 4814 1 1349 . 1 1 141 141 ALA H H 1 8.750 0.02 . . . . . . . . . . 4814 1 1350 . 1 1 141 141 ALA CA C 13 55.283 0.05 . . . . . . . . . . 4814 1 1351 . 1 1 141 141 ALA HA H 1 2.805 0.02 . . . . . . . . . . 4814 1 1352 . 1 1 141 141 ALA CB C 13 16.567 0.05 . . . . . . . . . . 4814 1 1353 . 1 1 141 141 ALA HB1 H 1 0.690 0.02 . . . . . . . . . . 4814 1 1354 . 1 1 141 141 ALA HB2 H 1 0.690 0.02 . . . . . . . . . . 4814 1 1355 . 1 1 141 141 ALA HB3 H 1 0.690 0.02 . . . . . . . . . . 4814 1 1356 . 1 1 142 142 GLU N N 15 120.072 0.05 . . . . . . . . . . 4814 1 1357 . 1 1 142 142 GLU H H 1 8.226 0.02 . . . . . . . . . . 4814 1 1358 . 1 1 142 142 GLU CA C 13 59.587 0.05 . . . . . . . . . . 4814 1 1359 . 1 1 142 142 GLU HA H 1 3.876 0.02 . . . . . . . . . . 4814 1 1360 . 1 1 142 142 GLU CB C 13 29.050 0.05 . . . . . . . . . . 4814 1 1361 . 1 1 142 142 GLU HB3 H 1 2.190 0.02 . . . . . . . . . . 4814 1 1362 . 1 1 142 142 GLU HB2 H 1 2.083 0.02 . . . . . . . . . . 4814 1 1363 . 1 1 142 142 GLU HG3 H 1 2.380 0.02 . . . . . . . . . . 4814 1 1364 . 1 1 142 142 GLU HG2 H 1 2.270 0.02 . . . . . . . . . . 4814 1 1365 . 1 1 143 143 LYS N N 15 119.627 0.05 . . . . . . . . . . 4814 1 1366 . 1 1 143 143 LYS H H 1 8.397 0.02 . . . . . . . . . . 4814 1 1367 . 1 1 143 143 LYS CA C 13 59.433 0.05 . . . . . . . . . . 4814 1 1368 . 1 1 143 143 LYS HA H 1 4.095 0.02 . . . . . . . . . . 4814 1 1369 . 1 1 143 143 LYS CB C 13 32.547 0.05 . . . . . . . . . . 4814 1 1370 . 1 1 143 143 LYS HB3 H 1 1.813 0.02 . . . . . . . . . . 4814 1 1371 . 1 1 143 143 LYS HB2 H 1 1.795 0.02 . . . . . . . . . . 4814 1 1372 . 1 1 143 143 LYS HG3 H 1 1.410 0.02 . . . . . . . . . . 4814 1 1373 . 1 1 143 143 LYS HD3 H 1 1.750 0.02 . . . . . . . . . . 4814 1 1374 . 1 1 143 143 LYS HD2 H 1 119.620 0.02 . . . . . . . . . . 4814 1 1375 . 1 1 143 143 LYS HE3 H 1 2.940 0.02 . . . . . . . . . . 4814 1 1376 . 1 1 143 143 LYS HE2 H 1 2.820 0.02 . . . . . . . . . . 4814 1 1377 . 1 1 144 144 THR N N 15 118.295 0.05 . . . . . . . . . . 4814 1 1378 . 1 1 144 144 THR H H 1 8.001 0.02 . . . . . . . . . . 4814 1 1379 . 1 1 144 144 THR CA C 13 67.540 0.05 . . . . . . . . . . 4814 1 1380 . 1 1 144 144 THR HA H 1 4.120 0.02 . . . . . . . . . . 4814 1 1381 . 1 1 144 144 THR CB C 13 68.150 0.05 . . . . . . . . . . 4814 1 1382 . 1 1 144 144 THR HB H 1 3.646 0.02 . . . . . . . . . . 4814 1 1383 . 1 1 144 144 THR HG21 H 1 1.180 0.02 . . . . . . . . . . 4814 1 1384 . 1 1 144 144 THR HG22 H 1 1.180 0.02 . . . . . . . . . . 4814 1 1385 . 1 1 144 144 THR HG23 H 1 1.180 0.02 . . . . . . . . . . 4814 1 1386 . 1 1 145 145 LYS N N 15 123.839 0.05 . . . . . . . . . . 4814 1 1387 . 1 1 145 145 LYS H H 1 8.289 0.02 . . . . . . . . . . 4814 1 1388 . 1 1 145 145 LYS CA C 13 60.730 0.05 . . . . . . . . . . 4814 1 1389 . 1 1 145 145 LYS HA H 1 3.992 0.02 . . . . . . . . . . 4814 1 1390 . 1 1 145 145 LYS CB C 13 31.740 0.05 . . . . . . . . . . 4814 1 1391 . 1 1 145 145 LYS HB3 H 1 1.670 0.02 . . . . . . . . . . 4814 1 1392 . 1 1 145 145 LYS HB2 H 1 1.625 0.02 . . . . . . . . . . 4814 1 1393 . 1 1 145 145 LYS HG3 H 1 1.435 0.02 . . . . . . . . . . 4814 1 1394 . 1 1 145 145 LYS HG2 H 1 1.393 0.02 . . . . . . . . . . 4814 1 1395 . 1 1 145 145 LYS HD3 H 1 1.500 0.02 . . . . . . . . . . 4814 1 1396 . 1 1 145 145 LYS HD2 H 1 1.467 0.02 . . . . . . . . . . 4814 1 1397 . 1 1 145 145 LYS HE3 H 1 2.895 0.02 . . . . . . . . . . 4814 1 1398 . 1 1 145 145 LYS HE2 H 1 2.810 0.02 . . . . . . . . . . 4814 1 1399 . 1 1 146 146 GLU N N 15 119.160 0.05 . . . . . . . . . . 4814 1 1400 . 1 1 146 146 GLU H H 1 8.377 0.02 . . . . . . . . . . 4814 1 1401 . 1 1 146 146 GLU CA C 13 59.155 0.05 . . . . . . . . . . 4814 1 1402 . 1 1 146 146 GLU HA H 1 4.053 0.02 . . . . . . . . . . 4814 1 1403 . 1 1 146 146 GLU CB C 13 29.490 0.05 . . . . . . . . . . 4814 1 1404 . 1 1 146 146 GLU HB3 H 1 2.150 0.02 . . . . . . . . . . 4814 1 1405 . 1 1 146 146 GLU HB2 H 1 2.108 0.02 . . . . . . . . . . 4814 1 1406 . 1 1 146 146 GLU HG3 H 1 2.387 0.02 . . . . . . . . . . 4814 1 1407 . 1 1 146 146 GLU HG2 H 1 2.220 0.02 . . . . . . . . . . 4814 1 1408 . 1 1 147 147 ALA N N 15 121.317 0.05 . . . . . . . . . . 4814 1 1409 . 1 1 147 147 ALA H H 1 7.916 0.02 . . . . . . . . . . 4814 1 1410 . 1 1 147 147 ALA CA C 13 55.155 0.05 . . . . . . . . . . 4814 1 1411 . 1 1 147 147 ALA HA H 1 4.190 0.02 . . . . . . . . . . 4814 1 1412 . 1 1 147 147 ALA CB C 13 18.080 0.05 . . . . . . . . . . 4814 1 1413 . 1 1 147 147 ALA HB1 H 1 1.588 0.02 . . . . . . . . . . 4814 1 1414 . 1 1 147 147 ALA HB2 H 1 1.588 0.02 . . . . . . . . . . 4814 1 1415 . 1 1 147 147 ALA HB3 H 1 1.588 0.02 . . . . . . . . . . 4814 1 1416 . 1 1 148 148 ALA N N 15 121.745 0.05 . . . . . . . . . . 4814 1 1417 . 1 1 148 148 ALA H H 1 8.224 0.02 . . . . . . . . . . 4814 1 1418 . 1 1 148 148 ALA CA C 13 55.195 0.05 . . . . . . . . . . 4814 1 1419 . 1 1 148 148 ALA HA H 1 4.088 0.02 . . . . . . . . . . 4814 1 1420 . 1 1 148 148 ALA CB C 13 18.195 0.05 . . . . . . . . . . 4814 1 1421 . 1 1 148 148 ALA HB1 H 1 1.390 0.02 . . . . . . . . . . 4814 1 1422 . 1 1 148 148 ALA HB2 H 1 1.390 0.02 . . . . . . . . . . 4814 1 1423 . 1 1 148 148 ALA HB3 H 1 1.390 0.02 . . . . . . . . . . 4814 1 1424 . 1 1 149 149 ALA N N 15 122.491 0.05 . . . . . . . . . . 4814 1 1425 . 1 1 149 149 ALA H H 1 8.987 0.02 . . . . . . . . . . 4814 1 1426 . 1 1 149 149 ALA CA C 13 54.893 0.05 . . . . . . . . . . 4814 1 1427 . 1 1 149 149 ALA HA H 1 4.115 0.02 . . . . . . . . . . 4814 1 1428 . 1 1 149 149 ALA CB C 13 18.117 0.05 . . . . . . . . . . 4814 1 1429 . 1 1 149 149 ALA HB1 H 1 1.482 0.02 . . . . . . . . . . 4814 1 1430 . 1 1 149 149 ALA HB2 H 1 1.482 0.02 . . . . . . . . . . 4814 1 1431 . 1 1 149 149 ALA HB3 H 1 1.482 0.02 . . . . . . . . . . 4814 1 1432 . 1 1 150 150 ASN N N 15 117.730 0.05 . . . . . . . . . . 4814 1 1433 . 1 1 150 150 ASN H H 1 8.747 0.02 . . . . . . . . . . 4814 1 1434 . 1 1 150 150 ASN CA C 13 56.040 0.05 . . . . . . . . . . 4814 1 1435 . 1 1 150 150 ASN HA H 1 4.482 0.02 . . . . . . . . . . 4814 1 1436 . 1 1 150 150 ASN CB C 13 38.360 0.05 . . . . . . . . . . 4814 1 1437 . 1 1 150 150 ASN HB3 H 1 2.975 0.02 . . . . . . . . . . 4814 1 1438 . 1 1 150 150 ASN HB2 H 1 2.926 0.02 . . . . . . . . . . 4814 1 1439 . 1 1 150 150 ASN HD21 H 1 7.720 0.02 . . . . . . . . . . 4814 1 1440 . 1 1 150 150 ASN HD22 H 1 7.087 0.02 . . . . . . . . . . 4814 1 1441 . 1 1 151 151 LEU N N 15 123.744 0.05 . . . . . . . . . . 4814 1 1442 . 1 1 151 151 LEU H H 1 7.534 0.02 . . . . . . . . . . 4814 1 1443 . 1 1 151 151 LEU CA C 13 58.790 0.05 . . . . . . . . . . 4814 1 1444 . 1 1 151 151 LEU HA H 1 4.320 0.02 . . . . . . . . . . 4814 1 1445 . 1 1 151 151 LEU CB C 13 41.350 0.05 . . . . . . . . . . 4814 1 1446 . 1 1 151 151 LEU HB3 H 1 2.080 0.02 . . . . . . . . . . 4814 1 1447 . 1 1 151 151 LEU HB2 H 1 2.040 0.02 . . . . . . . . . . 4814 1 1448 . 1 1 151 151 LEU HG H 1 1.920 0.02 . . . . . . . . . . 4814 1 1449 . 1 1 151 151 LEU HD11 H 1 0.815 0.02 . . . . . . . . . . 4814 1 1450 . 1 1 151 151 LEU HD12 H 1 0.815 0.02 . . . . . . . . . . 4814 1 1451 . 1 1 151 151 LEU HD13 H 1 0.815 0.02 . . . . . . . . . . 4814 1 1452 . 1 1 151 151 LEU HD21 H 1 0.620 0.02 . . . . . . . . . . 4814 1 1453 . 1 1 151 151 LEU HD22 H 1 0.620 0.02 . . . . . . . . . . 4814 1 1454 . 1 1 151 151 LEU HD23 H 1 0.620 0.02 . . . . . . . . . . 4814 1 1455 . 1 1 152 152 GLN N N 15 119.097 0.05 . . . . . . . . . . 4814 1 1456 . 1 1 152 152 GLN H H 1 8.074 0.02 . . . . . . . . . . 4814 1 1457 . 1 1 152 152 GLN CA C 13 59.640 0.05 . . . . . . . . . . 4814 1 1458 . 1 1 152 152 GLN HA H 1 4.323 0.02 . . . . . . . . . . 4814 1 1459 . 1 1 152 152 GLN CB C 13 27.950 0.05 . . . . . . . . . . 4814 1 1460 . 1 1 152 152 GLN HB3 H 1 1.920 0.02 . . . . . . . . . . 4814 1 1461 . 1 1 152 152 GLN HB2 H 1 1.880 0.02 . . . . . . . . . . 4814 1 1462 . 1 1 152 152 GLN HG3 H 1 2.380 0.02 . . . . . . . . . . 4814 1 1463 . 1 1 152 152 GLN HG2 H 1 2.360 0.02 . . . . . . . . . . 4814 1 1464 . 1 1 152 152 GLN HE21 H 1 7.460 0.02 . . . . . . . . . . 4814 1 1465 . 1 1 152 152 GLN HE22 H 1 6.350 0.02 . . . . . . . . . . 4814 1 1466 . 1 1 153 153 ASN N N 15 119.142 0.05 . . . . . . . . . . 4814 1 1467 . 1 1 153 153 ASN H H 1 8.177 0.02 . . . . . . . . . . 4814 1 1468 . 1 1 153 153 ASN CA C 13 55.993 0.05 . . . . . . . . . . 4814 1 1469 . 1 1 153 153 ASN HA H 1 4.077 0.02 . . . . . . . . . . 4814 1 1470 . 1 1 153 153 ASN CB C 13 38.230 0.05 . . . . . . . . . . 4814 1 1471 . 1 1 153 153 ASN HB3 H 1 2.940 0.02 . . . . . . . . . . 4814 1 1472 . 1 1 153 153 ASN HB2 H 1 2.710 0.02 . . . . . . . . . . 4814 1 1473 . 1 1 153 153 ASN HD21 H 1 7.580 0.02 . . . . . . . . . . 4814 1 1474 . 1 1 153 153 ASN HD22 H 1 6.860 0.02 . . . . . . . . . . 4814 1 1475 . 1 1 154 154 SER N N 15 117.918 0.05 . . . . . . . . . . 4814 1 1476 . 1 1 154 154 SER H H 1 8.459 0.02 . . . . . . . . . . 4814 1 1477 . 1 1 154 154 SER CA C 13 61.930 0.05 . . . . . . . . . . 4814 1 1478 . 1 1 154 154 SER HA H 1 4.147 0.02 . . . . . . . . . . 4814 1 1479 . 1 1 154 154 SER CB C 13 62.730 0.05 . . . . . . . . . . 4814 1 1480 . 1 1 154 154 SER HB3 H 1 3.890 0.02 . . . . . . . . . . 4814 1 1481 . 1 1 154 154 SER HB2 H 1 3.817 0.02 . . . . . . . . . . 4814 1 1482 . 1 1 155 155 ILE N N 15 121.913 0.05 . . . . . . . . . . 4814 1 1483 . 1 1 155 155 ILE H H 1 7.847 0.02 . . . . . . . . . . 4814 1 1484 . 1 1 155 155 ILE CA C 13 64.140 0.05 . . . . . . . . . . 4814 1 1485 . 1 1 155 155 ILE HA H 1 3.736 0.02 . . . . . . . . . . 4814 1 1486 . 1 1 155 155 ILE CB C 13 36.587 0.05 . . . . . . . . . . 4814 1 1487 . 1 1 155 155 ILE HB H 1 1.980 0.02 . . . . . . . . . . 4814 1 1488 . 1 1 155 155 ILE HG13 H 1 1.485 0.02 . . . . . . . . . . 4814 1 1489 . 1 1 155 155 ILE HG12 H 1 1.333 0.02 . . . . . . . . . . 4814 1 1490 . 1 1 155 155 ILE HG21 H 1 0.825 0.02 . . . . . . . . . . 4814 1 1491 . 1 1 155 155 ILE HG22 H 1 0.825 0.02 . . . . . . . . . . 4814 1 1492 . 1 1 155 155 ILE HG23 H 1 0.825 0.02 . . . . . . . . . . 4814 1 1493 . 1 1 155 155 ILE HD11 H 1 0.607 0.02 . . . . . . . . . . 4814 1 1494 . 1 1 155 155 ILE HD12 H 1 0.607 0.02 . . . . . . . . . . 4814 1 1495 . 1 1 155 155 ILE HD13 H 1 0.607 0.02 . . . . . . . . . . 4814 1 1496 . 1 1 156 156 GLN N N 15 118.329 0.05 . . . . . . . . . . 4814 1 1497 . 1 1 156 156 GLN H H 1 8.192 0.02 . . . . . . . . . . 4814 1 1498 . 1 1 156 156 GLN CA C 13 59.420 0.05 . . . . . . . . . . 4814 1 1499 . 1 1 156 156 GLN HA H 1 3.965 0.02 . . . . . . . . . . 4814 1 1500 . 1 1 156 156 GLN CB C 13 28.657 0.05 . . . . . . . . . . 4814 1 1501 . 1 1 156 156 GLN HB3 H 1 2.160 0.02 . . . . . . . . . . 4814 1 1502 . 1 1 156 156 GLN HB2 H 1 2.017 0.02 . . . . . . . . . . 4814 1 1503 . 1 1 156 156 GLN HG3 H 1 2.470 0.02 . . . . . . . . . . 4814 1 1504 . 1 1 156 156 GLN HG2 H 1 2.300 0.02 . . . . . . . . . . 4814 1 1505 . 1 1 156 156 GLN HE21 H 1 6.960 0.02 . . . . . . . . . . 4814 1 1506 . 1 1 156 156 GLN HE22 H 1 7.740 0.02 . . . . . . . . . . 4814 1 1507 . 1 1 157 157 SER N N 15 111.652 0.05 . . . . . . . . . . 4814 1 1508 . 1 1 157 157 SER H H 1 8.071 0.02 . . . . . . . . . . 4814 1 1509 . 1 1 157 157 SER CA C 13 60.930 0.05 . . . . . . . . . . 4814 1 1510 . 1 1 157 157 SER HA H 1 4.175 0.02 . . . . . . . . . . 4814 1 1511 . 1 1 157 157 SER CB C 13 63.147 0.05 . . . . . . . . . . 4814 1 1512 . 1 1 157 157 SER HB3 H 1 3.938 0.02 . . . . . . . . . . 4814 1 1513 . 1 1 157 157 SER HB2 H 1 3.915 0.02 . . . . . . . . . . 4814 1 1514 . 1 1 158 158 ALA N N 15 122.342 0.05 . . . . . . . . . . 4814 1 1515 . 1 1 158 158 ALA H H 1 7.449 0.02 . . . . . . . . . . 4814 1 1516 . 1 1 158 158 ALA CA C 13 54.120 0.05 . . . . . . . . . . 4814 1 1517 . 1 1 158 158 ALA HA H 1 4.248 0.02 . . . . . . . . . . 4814 1 1518 . 1 1 158 158 ALA CB C 13 20.140 0.05 . . . . . . . . . . 4814 1 1519 . 1 1 158 158 ALA HB1 H 1 1.523 0.02 . . . . . . . . . . 4814 1 1520 . 1 1 158 158 ALA HB2 H 1 1.523 0.02 . . . . . . . . . . 4814 1 1521 . 1 1 158 158 ALA HB3 H 1 1.523 0.02 . . . . . . . . . . 4814 1 1522 . 1 1 159 159 VAL N N 15 112.620 0.05 . . . . . . . . . . 4814 1 1523 . 1 1 159 159 VAL H H 1 7.746 0.02 . . . . . . . . . . 4814 1 1524 . 1 1 159 159 VAL CA C 13 62.883 0.05 . . . . . . . . . . 4814 1 1525 . 1 1 159 159 VAL HA H 1 4.040 0.02 . . . . . . . . . . 4814 1 1526 . 1 1 159 159 VAL CB C 13 32.227 0.05 . . . . . . . . . . 4814 1 1527 . 1 1 159 159 VAL HB H 1 2.210 0.02 . . . . . . . . . . 4814 1 1528 . 1 1 159 159 VAL HG21 H 1 0.854 0.02 . . . . . . . . . . 4814 1 1529 . 1 1 159 159 VAL HG22 H 1 0.854 0.02 . . . . . . . . . . 4814 1 1530 . 1 1 159 159 VAL HG23 H 1 0.854 0.02 . . . . . . . . . . 4814 1 1531 . 1 1 159 159 VAL HG11 H 1 0.916 0.02 . . . . . . . . . . 4814 1 1532 . 1 1 159 159 VAL HG12 H 1 0.916 0.02 . . . . . . . . . . 4814 1 1533 . 1 1 159 159 VAL HG13 H 1 0.916 0.02 . . . . . . . . . . 4814 1 1534 . 1 1 160 160 GLN N N 15 120.028 0.05 . . . . . . . . . . 4814 1 1535 . 1 1 160 160 GLN H H 1 7.768 0.02 . . . . . . . . . . 4814 1 1536 . 1 1 160 160 GLN CA C 13 55.777 0.05 . . . . . . . . . . 4814 1 1537 . 1 1 160 160 GLN HA H 1 4.250 0.02 . . . . . . . . . . 4814 1 1538 . 1 1 160 160 GLN CB C 13 28.677 0.05 . . . . . . . . . . 4814 1 1539 . 1 1 160 160 GLN HB3 H 1 2.070 0.02 . . . . . . . . . . 4814 1 1540 . 1 1 160 160 GLN HB2 H 1 2.000 0.02 . . . . . . . . . . 4814 1 1541 . 1 1 160 160 GLN HG3 H 1 2.385 0.02 . . . . . . . . . . 4814 1 1542 . 1 1 160 160 GLN HG2 H 1 2.200 0.02 . . . . . . . . . . 4814 1 1543 . 1 1 160 160 GLN HE22 H 1 7.560 0.02 . . . . . . . . . . 4814 1 1544 . 1 1 161 161 LYS N N 15 123.379 0.05 . . . . . . . . . . 4814 1 1545 . 1 1 161 161 LYS H H 1 7.981 0.02 . . . . . . . . . . 4814 1 1546 . 1 1 161 161 LYS CA C 13 54.240 0.05 . . . . . . . . . . 4814 1 1547 . 1 1 161 161 LYS HA H 1 4.550 0.02 . . . . . . . . . . 4814 1 1548 . 1 1 161 161 LYS CB C 13 32.190 0.05 . . . . . . . . . . 4814 1 1549 . 1 1 161 161 LYS HB3 H 1 1.800 0.02 . . . . . . . . . . 4814 1 1550 . 1 1 161 161 LYS HB2 H 1 1.740 0.02 . . . . . . . . . . 4814 1 1551 . 1 1 161 161 LYS HG3 H 1 1.480 0.02 . . . . . . . . . . 4814 1 1552 . 1 1 161 161 LYS HG2 H 1 1.435 0.02 . . . . . . . . . . 4814 1 1553 . 1 1 161 161 LYS HD3 H 1 2.080 0.02 . . . . . . . . . . 4814 1 1554 . 1 1 161 161 LYS HD2 H 1 2.030 0.02 . . . . . . . . . . 4814 1 1555 . 1 1 161 161 LYS HE3 H 1 3.820 0.02 . . . . . . . . . . 4814 1 1556 . 1 1 161 161 LYS HE2 H 1 3.610 0.02 . . . . . . . . . . 4814 1 1557 . 1 1 162 162 PRO CA C 13 63.113 0.05 . . . . . . . . . . 4814 1 1558 . 1 1 162 162 PRO CB C 13 32.165 0.05 . . . . . . . . . . 4814 1 1559 . 1 1 162 162 PRO HB3 H 1 2.290 0.02 . . . . . . . . . . 4814 1 1560 . 1 1 162 162 PRO HB2 H 1 1.930 0.02 . . . . . . . . . . 4814 1 1561 . 1 1 162 162 PRO HG3 H 1 1.990 0.02 . . . . . . . . . . 4814 1 1562 . 1 1 162 162 PRO HG2 H 1 1.950 0.02 . . . . . . . . . . 4814 1 1563 . 1 1 162 162 PRO HD3 H 1 3.930 0.02 . . . . . . . . . . 4814 1 1564 . 1 1 162 162 PRO HD2 H 1 3.800 0.02 . . . . . . . . . . 4814 1 1565 . 1 1 163 163 ALA N N 15 124.811 0.05 . . . . . . . . . . 4814 1 1566 . 1 1 163 163 ALA H H 1 8.375 0.02 . . . . . . . . . . 4814 1 1567 . 1 1 163 163 ALA CA C 13 52.305 0.05 . . . . . . . . . . 4814 1 1568 . 1 1 163 163 ALA HA H 1 4.300 0.02 . . . . . . . . . . 4814 1 1569 . 1 1 163 163 ALA CB C 13 19.315 0.05 . . . . . . . . . . 4814 1 1570 . 1 1 163 163 ALA HB1 H 1 1.370 0.02 . . . . . . . . . . 4814 1 1571 . 1 1 163 163 ALA HB2 H 1 1.370 0.02 . . . . . . . . . . 4814 1 1572 . 1 1 163 163 ALA HB3 H 1 1.370 0.02 . . . . . . . . . . 4814 1 1573 . 1 1 164 164 ASN N N 15 123.012 0.05 . . . . . . . . . . 4814 1 1574 . 1 1 164 164 ASN H H 1 7.881 0.02 . . . . . . . . . . 4814 1 1575 . 1 1 164 164 ASN CA C 13 54.610 0.05 . . . . . . . . . . 4814 1 1576 . 1 1 164 164 ASN HA H 1 4.410 0.02 . . . . . . . . . . 4814 1 1577 . 1 1 164 164 ASN CB C 13 40.440 0.05 . . . . . . . . . . 4814 1 1578 . 1 1 164 164 ASN HB3 H 1 2.640 0.02 . . . . . . . . . . 4814 1 1579 . 1 1 164 164 ASN HB2 H 1 2.635 0.02 . . . . . . . . . . 4814 1 1580 . 1 1 164 164 ASN HD21 H 1 6.940 0.02 . . . . . . . . . . 4814 1 1581 . 1 1 164 164 ASN HD22 H 1 7.570 0.02 . . . . . . . . . . 4814 1 stop_ save_