data_6100 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6100 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignents of the 18.5kDa isoform of murine myelin basic protein (MBP) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-02-12 _Entry.Accession_date 2004-02-16 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Libich . S. . 6100 2 Valerie Robertson . J. . 6100 3 Martine Monette . M. . 6100 4 George Harauz . . . 6100 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6100 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 436 6100 '15N chemical shifts' 154 6100 '1H chemical shifts' 516 6100 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2004-07-29 . original author 'original release' 6100 1 . . 2007-10-19 . update author 'update chemical shifts' 6100 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6100 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15243191 _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignments of the 18.5kDa isoform of murine myelin basic protein (MBP) ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 29 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 545 _Citation.Page_last 546 _Citation.Year 2004 _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 David Libich . S. . 6100 1 2 Valerie Robertson . J. . 6100 1 3 Martine Monette . M. . 6100 1 4 George Harauz . . . 6100 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system _Assembly.Entry_ID 6100 _Assembly.ID 1 _Assembly.Name rmMBP _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 19421.5 _Assembly.Enzyme_commission_number . _Assembly.Details 'Recombinant murine myelin basic protein.' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6100 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 rmMBP 1 $rmMBP . . . native . . . . . 6100 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID rmMBP abbreviation 6100 1 rmMBP system 6100 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'formation and maintenance of the myelin sheath' 6100 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rmMBP _Entity.Sf_category entity _Entity.Sf_framecode rmMBP _Entity.Entry_ID 6100 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'myelin basic protein' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ASQKRPSQRSKYLATASTMD HARHGFLPRHRDTGILDSIG RFFSGDRGAPKRGSGKDSHT RTTHYGSLPQKSQHGRTQDE NPVVHFFKNIVTPRTPPPSQ GKGRGLSLSRFSWGAEGQRP GFGYGGRASDYKSAHKGFKG AYDAQGTLSKIFKLGGRDSR SGSPMARRLEHHHHHH ; _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 176 _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 19421.5 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15131 . MBP . . . . . 100.00 176 100.00 100.00 2.36e-121 . . . . 6100 1 2 no GB AAA37720 . "alternate [Mus musculus]" . . . . . 58.52 250 100.00 100.00 1.79e-65 . . . . 6100 1 3 no GB AAA39496 . "18.5 kd myelin basic protein, partial [Mus musculus]" . . . . . 95.45 169 99.40 100.00 1.97e-114 . . . . 6100 1 4 no GB AAA39501 . "18.5 kd myelin basic protein [Mus musculus]" . . . . . 95.45 169 99.40 100.00 1.97e-114 . . . . 6100 1 5 no GB EDL09385 . "myelin basic protein, isoform CRA_d [Mus musculus]" . . . . . 58.52 250 100.00 100.00 1.79e-65 . . . . 6100 1 6 no REF NP_001020426 . "myelin basic protein isoform 3 [Mus musculus]" . . . . . 95.45 169 99.40 100.00 1.97e-114 . . . . 6100 1 7 no REF NP_001020463 . "myelin basic protein isoform 2 [Rattus norvegicus]" . . . . . 96.59 169 97.06 97.65 8.43e-109 . . . . 6100 1 8 no REF NP_034907 . "Golli-Mbp isoform 1 [Mus musculus]" . . . . . 58.52 250 100.00 100.00 1.79e-65 . . . . 6100 1 9 no REF XP_006526519 . "PREDICTED: Golli-Mbp isoform X5 [Mus musculus]" . . . . . 95.45 302 99.40 100.00 1.91e-114 . . . . 6100 1 10 no SP P04370 . "RecName: Full=Myelin basic protein; Short=MBP; AltName: Full=Myelin A1 protein [Mus musculus]" . . . . . 58.52 250 100.00 100.00 1.79e-65 . . . . 6100 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'formation and maintenance of the myelin sheath' 6100 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'myelin basic protein' common 6100 1 rmMBP abbreviation 6100 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 . ALA . 6100 1 2 . SER . 6100 1 3 . GLN . 6100 1 4 . LYS . 6100 1 5 . ARG . 6100 1 6 . PRO . 6100 1 7 . SER . 6100 1 8 . GLN . 6100 1 9 . ARG . 6100 1 10 . SER . 6100 1 11 . LYS . 6100 1 12 . TYR . 6100 1 13 . LEU . 6100 1 14 . ALA . 6100 1 15 . THR . 6100 1 16 . ALA . 6100 1 17 . SER . 6100 1 18 . THR . 6100 1 19 . MET . 6100 1 20 . ASP . 6100 1 21 . HIS . 6100 1 22 . ALA . 6100 1 23 . ARG . 6100 1 24 . HIS . 6100 1 25 . GLY . 6100 1 26 . PHE . 6100 1 27 . LEU . 6100 1 28 . PRO . 6100 1 29 . ARG . 6100 1 30 . HIS . 6100 1 31 . ARG . 6100 1 32 . ASP . 6100 1 33 . THR . 6100 1 34 . GLY . 6100 1 35 . ILE . 6100 1 36 . LEU . 6100 1 37 . ASP . 6100 1 38 . SER . 6100 1 39 . ILE . 6100 1 40 . GLY . 6100 1 41 . ARG . 6100 1 42 . PHE . 6100 1 43 . PHE . 6100 1 44 . SER . 6100 1 45 . GLY . 6100 1 46 . ASP . 6100 1 47 . ARG . 6100 1 48 . GLY . 6100 1 49 . ALA . 6100 1 50 . PRO . 6100 1 51 . LYS . 6100 1 52 . ARG . 6100 1 53 . GLY . 6100 1 54 . SER . 6100 1 55 . GLY . 6100 1 56 . LYS . 6100 1 57 . ASP . 6100 1 58 . SER . 6100 1 59 . HIS . 6100 1 60 . THR . 6100 1 61 . ARG . 6100 1 62 . THR . 6100 1 63 . THR . 6100 1 64 . HIS . 6100 1 65 . TYR . 6100 1 66 . GLY . 6100 1 67 . SER . 6100 1 68 . LEU . 6100 1 69 . PRO . 6100 1 70 . GLN . 6100 1 71 . LYS . 6100 1 72 . SER . 6100 1 73 . GLN . 6100 1 74 . HIS . 6100 1 75 . GLY . 6100 1 76 . ARG . 6100 1 77 . THR . 6100 1 78 . GLN . 6100 1 79 . ASP . 6100 1 80 . GLU . 6100 1 81 . ASN . 6100 1 82 . PRO . 6100 1 83 . VAL . 6100 1 84 . VAL . 6100 1 85 . HIS . 6100 1 86 . PHE . 6100 1 87 . PHE . 6100 1 88 . LYS . 6100 1 89 . ASN . 6100 1 90 . ILE . 6100 1 91 . VAL . 6100 1 92 . THR . 6100 1 93 . PRO . 6100 1 94 . ARG . 6100 1 95 . THR . 6100 1 96 . PRO . 6100 1 97 . PRO . 6100 1 98 . PRO . 6100 1 99 . SER . 6100 1 100 . GLN . 6100 1 101 . GLY . 6100 1 102 . LYS . 6100 1 103 . GLY . 6100 1 104 . ARG . 6100 1 105 . GLY . 6100 1 106 . LEU . 6100 1 107 . SER . 6100 1 108 . LEU . 6100 1 109 . SER . 6100 1 110 . ARG . 6100 1 111 . PHE . 6100 1 112 . SER . 6100 1 113 . TRP . 6100 1 114 . GLY . 6100 1 115 . ALA . 6100 1 116 . GLU . 6100 1 117 . GLY . 6100 1 118 . GLN . 6100 1 119 . ARG . 6100 1 120 . PRO . 6100 1 121 . GLY . 6100 1 122 . PHE . 6100 1 123 . GLY . 6100 1 124 . TYR . 6100 1 125 . GLY . 6100 1 126 . GLY . 6100 1 127 . ARG . 6100 1 128 . ALA . 6100 1 129 . SER . 6100 1 130 . ASP . 6100 1 131 . TYR . 6100 1 132 . LYS . 6100 1 133 . SER . 6100 1 134 . ALA . 6100 1 135 . HIS . 6100 1 136 . LYS . 6100 1 137 . GLY . 6100 1 138 . PHE . 6100 1 139 . LYS . 6100 1 140 . GLY . 6100 1 141 . ALA . 6100 1 142 . TYR . 6100 1 143 . ASP . 6100 1 144 . ALA . 6100 1 145 . GLN . 6100 1 146 . GLY . 6100 1 147 . THR . 6100 1 148 . LEU . 6100 1 149 . SER . 6100 1 150 . LYS . 6100 1 151 . ILE . 6100 1 152 . PHE . 6100 1 153 . LYS . 6100 1 154 . LEU . 6100 1 155 . GLY . 6100 1 156 . GLY . 6100 1 157 . ARG . 6100 1 158 . ASP . 6100 1 159 . SER . 6100 1 160 . ARG . 6100 1 161 . SER . 6100 1 162 . GLY . 6100 1 163 . SER . 6100 1 164 . PRO . 6100 1 165 . MET . 6100 1 166 . ALA . 6100 1 167 . ARG . 6100 1 168 . ARG . 6100 1 169 . LEU . 6100 1 170 . GLU . 6100 1 171 . HIS . 6100 1 172 . HIS . 6100 1 173 . HIS . 6100 1 174 . HIS . 6100 1 175 . HIS . 6100 1 176 . HIS . 6100 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 . ALA 1 1 6100 1 . SER 2 2 6100 1 . GLN 3 3 6100 1 . LYS 4 4 6100 1 . ARG 5 5 6100 1 . PRO 6 6 6100 1 . SER 7 7 6100 1 . GLN 8 8 6100 1 . ARG 9 9 6100 1 . SER 10 10 6100 1 . LYS 11 11 6100 1 . TYR 12 12 6100 1 . LEU 13 13 6100 1 . ALA 14 14 6100 1 . THR 15 15 6100 1 . ALA 16 16 6100 1 . SER 17 17 6100 1 . THR 18 18 6100 1 . MET 19 19 6100 1 . ASP 20 20 6100 1 . HIS 21 21 6100 1 . ALA 22 22 6100 1 . ARG 23 23 6100 1 . HIS 24 24 6100 1 . GLY 25 25 6100 1 . PHE 26 26 6100 1 . LEU 27 27 6100 1 . PRO 28 28 6100 1 . ARG 29 29 6100 1 . HIS 30 30 6100 1 . ARG 31 31 6100 1 . ASP 32 32 6100 1 . THR 33 33 6100 1 . GLY 34 34 6100 1 . ILE 35 35 6100 1 . LEU 36 36 6100 1 . ASP 37 37 6100 1 . SER 38 38 6100 1 . ILE 39 39 6100 1 . GLY 40 40 6100 1 . ARG 41 41 6100 1 . PHE 42 42 6100 1 . PHE 43 43 6100 1 . SER 44 44 6100 1 . GLY 45 45 6100 1 . ASP 46 46 6100 1 . ARG 47 47 6100 1 . GLY 48 48 6100 1 . ALA 49 49 6100 1 . PRO 50 50 6100 1 . LYS 51 51 6100 1 . ARG 52 52 6100 1 . GLY 53 53 6100 1 . SER 54 54 6100 1 . GLY 55 55 6100 1 . LYS 56 56 6100 1 . ASP 57 57 6100 1 . SER 58 58 6100 1 . HIS 59 59 6100 1 . THR 60 60 6100 1 . ARG 61 61 6100 1 . THR 62 62 6100 1 . THR 63 63 6100 1 . HIS 64 64 6100 1 . TYR 65 65 6100 1 . GLY 66 66 6100 1 . SER 67 67 6100 1 . LEU 68 68 6100 1 . PRO 69 69 6100 1 . GLN 70 70 6100 1 . LYS 71 71 6100 1 . SER 72 72 6100 1 . GLN 73 73 6100 1 . HIS 74 74 6100 1 . GLY 75 75 6100 1 . ARG 76 76 6100 1 . THR 77 77 6100 1 . GLN 78 78 6100 1 . ASP 79 79 6100 1 . GLU 80 80 6100 1 . ASN 81 81 6100 1 . PRO 82 82 6100 1 . VAL 83 83 6100 1 . VAL 84 84 6100 1 . HIS 85 85 6100 1 . PHE 86 86 6100 1 . PHE 87 87 6100 1 . LYS 88 88 6100 1 . ASN 89 89 6100 1 . ILE 90 90 6100 1 . VAL 91 91 6100 1 . THR 92 92 6100 1 . PRO 93 93 6100 1 . ARG 94 94 6100 1 . THR 95 95 6100 1 . PRO 96 96 6100 1 . PRO 97 97 6100 1 . PRO 98 98 6100 1 . SER 99 99 6100 1 . GLN 100 100 6100 1 . GLY 101 101 6100 1 . LYS 102 102 6100 1 . GLY 103 103 6100 1 . ARG 104 104 6100 1 . GLY 105 105 6100 1 . LEU 106 106 6100 1 . SER 107 107 6100 1 . LEU 108 108 6100 1 . SER 109 109 6100 1 . ARG 110 110 6100 1 . PHE 111 111 6100 1 . SER 112 112 6100 1 . TRP 113 113 6100 1 . GLY 114 114 6100 1 . ALA 115 115 6100 1 . GLU 116 116 6100 1 . GLY 117 117 6100 1 . GLN 118 118 6100 1 . ARG 119 119 6100 1 . PRO 120 120 6100 1 . GLY 121 121 6100 1 . PHE 122 122 6100 1 . GLY 123 123 6100 1 . TYR 124 124 6100 1 . GLY 125 125 6100 1 . GLY 126 126 6100 1 . ARG 127 127 6100 1 . ALA 128 128 6100 1 . SER 129 129 6100 1 . ASP 130 130 6100 1 . TYR 131 131 6100 1 . LYS 132 132 6100 1 . SER 133 133 6100 1 . ALA 134 134 6100 1 . HIS 135 135 6100 1 . LYS 136 136 6100 1 . GLY 137 137 6100 1 . PHE 138 138 6100 1 . LYS 139 139 6100 1 . GLY 140 140 6100 1 . ALA 141 141 6100 1 . TYR 142 142 6100 1 . ASP 143 143 6100 1 . ALA 144 144 6100 1 . GLN 145 145 6100 1 . GLY 146 146 6100 1 . THR 147 147 6100 1 . LEU 148 148 6100 1 . SER 149 149 6100 1 . LYS 150 150 6100 1 . ILE 151 151 6100 1 . PHE 152 152 6100 1 . LYS 153 153 6100 1 . LEU 154 154 6100 1 . GLY 155 155 6100 1 . GLY 156 156 6100 1 . ARG 157 157 6100 1 . ASP 158 158 6100 1 . SER 159 159 6100 1 . ARG 160 160 6100 1 . SER 161 161 6100 1 . GLY 162 162 6100 1 . SER 163 163 6100 1 . PRO 164 164 6100 1 . MET 165 165 6100 1 . ALA 166 166 6100 1 . ARG 167 167 6100 1 . ARG 168 168 6100 1 . LEU 169 169 6100 1 . GLU 170 170 6100 1 . HIS 171 171 6100 1 . HIS 172 172 6100 1 . HIS 173 173 6100 1 . HIS 174 174 6100 1 . HIS 175 175 6100 1 . HIS 176 176 6100 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 6100 _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 $rmMBP . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6100 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 6100 _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 $rmMBP . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli BL21-CodonPlus(DE3)-RP . . . . . . . . . . . . . . . pet22b+ . Stratagene . . . . 6100 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6100 _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 'myelin basic protein' '[U-15N; U-13C]' . . 1 $rmMBP . . 2 . . mM . . . . 6100 1 2 2,2,2-trifluoroethanol-d2 [2H] . . . . . . 30 . . % . . . . 6100 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6100 _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 6.5 0.1 n/a 6100 1 temperature 298 0.1 K 6100 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6100 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6100 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AV . 600 . . . 6100 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 6100 _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 1H-15N-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6100 1 2 CBCANH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6100 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6100 1 4 HCC(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6100 1 5 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 6100 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6100 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H-15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6100 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6100 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6100 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HCC(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6100 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6100 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbon' . . . . ppm 0.00 external direct 1.0 . cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6100 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 . cylindrical parallel 1 $entry_citation . . 1 $entry_citation 6100 1 N 15 'liquid ammonia' nitrogen . . . . ppm 0.00 external indirect 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6100 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6100 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _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 . 6100 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 ALA CA C 13 54.4 0.3 . 1 . . . . . . . . 6100 1 2 . 1 1 1 1 ALA CB C 13 18.0 0.3 . 1 . . . . . . . . 6100 1 3 . 1 1 1 1 ALA HA H 1 4.07 0.02 . 1 . . . . . . . . 6100 1 4 . 1 1 1 1 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 5 . 1 1 1 1 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 6 . 1 1 1 1 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 7 . 1 1 2 2 SER CA C 13 58.3 0.3 . 1 . . . . . . . . 6100 1 8 . 1 1 2 2 SER CB C 13 64.0 0.3 . 1 . . . . . . . . 6100 1 9 . 1 1 2 2 SER H H 1 8.33 0.02 . 1 . . . . . . . . 6100 1 10 . 1 1 2 2 SER HA H 1 4.72 0.02 . 1 . . . . . . . . 6100 1 11 . 1 1 2 2 SER HB2 H 1 4.05 0.02 . 1 . . . . . . . . 6100 1 12 . 1 1 2 2 SER N N 15 115.3 0.3 . 1 . . . . . . . . 6100 1 13 . 1 1 4 4 LYS CA C 13 60.9 0.3 . 1 . . . . . . . . 6100 1 14 . 1 1 4 4 LYS CB C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 15 . 1 1 4 4 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 6100 1 16 . 1 1 4 4 LYS HB2 H 1 2.04 0.02 . 2 . . . . . . . . 6100 1 17 . 1 1 4 4 LYS HB3 H 1 1.89 0.02 . 2 . . . . . . . . 6100 1 18 . 1 1 5 5 ARG CA C 13 63.9 0.3 . 1 . . . . . . . . 6100 1 19 . 1 1 5 5 ARG CB C 13 32.3 0.3 . 1 . . . . . . . . 6100 1 20 . 1 1 5 5 ARG H H 1 8.11 0.02 . 1 . . . . . . . . 6100 1 21 . 1 1 5 5 ARG HA H 1 4.27 0.02 . 1 . . . . . . . . 6100 1 22 . 1 1 5 5 ARG HB3 H 1 1.95 0.02 . 1 . . . . . . . . 6100 1 23 . 1 1 5 5 ARG N N 15 121.9 0.3 . 1 . . . . . . . . 6100 1 24 . 1 1 6 6 PRO CA C 13 62.8 0.3 . 1 . . . . . . . . 6100 1 25 . 1 1 6 6 PRO CB C 13 31.3 0.3 . 1 . . . . . . . . 6100 1 26 . 1 1 6 6 PRO CG C 13 27.4 0.3 . 1 . . . . . . . . 6100 1 27 . 1 1 6 6 PRO CD C 13 50.1 0.3 . 1 . . . . . . . . 6100 1 28 . 1 1 6 6 PRO HA H 1 4.41 0.02 . 1 . . . . . . . . 6100 1 29 . 1 1 6 6 PRO HB2 H 1 1.91 0.02 . 1 . . . . . . . . 6100 1 30 . 1 1 7 7 SER CA C 13 58.1 0.3 . 1 . . . . . . . . 6100 1 31 . 1 1 7 7 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 6100 1 32 . 1 1 7 7 SER H H 1 8.15 0.02 . 1 . . . . . . . . 6100 1 33 . 1 1 7 7 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 6100 1 34 . 1 1 7 7 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 6100 1 35 . 1 1 7 7 SER N N 15 114.1 0.3 . 1 . . . . . . . . 6100 1 36 . 1 1 8 8 GLN CA C 13 56.4 0.3 . 1 . . . . . . . . 6100 1 37 . 1 1 8 8 GLN CB C 13 34.0 0.3 . 1 . . . . . . . . 6100 1 38 . 1 1 8 8 GLN HA H 1 4.58 0.02 . 1 . . . . . . . . 6100 1 39 . 1 1 8 8 GLN HB3 H 1 1.83 0.02 . 1 . . . . . . . . 6100 1 40 . 1 1 9 9 ARG CA C 13 56.4 0.3 . 1 . . . . . . . . 6100 1 41 . 1 1 9 9 ARG CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 42 . 1 1 9 9 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 43 . 1 1 9 9 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 6100 1 44 . 1 1 9 9 ARG HA H 1 4.36 0.02 . 1 . . . . . . . . 6100 1 45 . 1 1 9 9 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6100 1 46 . 1 1 9 9 ARG N N 15 122.0 0.3 . 1 . . . . . . . . 6100 1 47 . 1 1 10 10 SER CA C 13 58.7 0.3 . 1 . . . . . . . . 6100 1 48 . 1 1 10 10 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 6100 1 49 . 1 1 10 10 SER H H 1 8.13 0.02 . 1 . . . . . . . . 6100 1 50 . 1 1 10 10 SER HA H 1 4.41 0.02 . 1 . . . . . . . . 6100 1 51 . 1 1 10 10 SER N N 15 114.6 0.3 . 1 . . . . . . . . 6100 1 52 . 1 1 11 11 LYS CA C 13 56.3 0.3 . 1 . . . . . . . . 6100 1 53 . 1 1 11 11 LYS CB C 13 30.6 0.3 . 1 . . . . . . . . 6100 1 54 . 1 1 11 11 LYS CE C 13 43.2 0.3 . 1 . . . . . . . . 6100 1 55 . 1 1 11 11 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 56 . 1 1 11 11 LYS HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6100 1 57 . 1 1 12 12 TYR CA C 13 56.9 0.3 . 1 . . . . . . . . 6100 1 58 . 1 1 12 12 TYR CB C 13 40.7 0.3 . 1 . . . . . . . . 6100 1 59 . 1 1 12 12 TYR H H 1 8.35 0.02 . 1 . . . . . . . . 6100 1 60 . 1 1 12 12 TYR HA H 1 4.61 0.02 . 1 . . . . . . . . 6100 1 61 . 1 1 12 12 TYR HB3 H 1 3.06 0.02 . 1 . . . . . . . . 6100 1 62 . 1 1 12 12 TYR N N 15 120.3 0.3 . 1 . . . . . . . . 6100 1 63 . 1 1 13 13 LEU CA C 13 55.9 0.3 . 1 . . . . . . . . 6100 1 64 . 1 1 13 13 LEU CB C 13 41.8 0.3 . 1 . . . . . . . . 6100 1 65 . 1 1 13 13 LEU CG C 13 26.9 0.3 . 1 . . . . . . . . 6100 1 66 . 1 1 13 13 LEU CD1 C 13 24.5 0.3 . 1 . . . . . . . . 6100 1 67 . 1 1 13 13 LEU CD2 C 13 23.0 0.3 . 1 . . . . . . . . 6100 1 68 . 1 1 13 13 LEU H H 1 7.88 0.02 . 1 . . . . . . . . 6100 1 69 . 1 1 13 13 LEU HA H 1 4.14 0.02 . 1 . . . . . . . . 6100 1 70 . 1 1 13 13 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6100 1 71 . 1 1 13 13 LEU HB3 H 1 1.60 0.02 . 2 . . . . . . . . 6100 1 72 . 1 1 13 13 LEU N N 15 123.1 0.3 . 1 . . . . . . . . 6100 1 73 . 1 1 14 14 ALA CA C 13 53.6 0.3 . 1 . . . . . . . . 6100 1 74 . 1 1 14 14 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 6100 1 75 . 1 1 14 14 ALA H H 1 8.07 0.02 . 1 . . . . . . . . 6100 1 76 . 1 1 14 14 ALA HA H 1 4.24 0.02 . 1 . . . . . . . . 6100 1 77 . 1 1 14 14 ALA HB1 H 1 1.44 0.02 . 1 . . . . . . . . 6100 1 78 . 1 1 14 14 ALA HB2 H 1 1.44 0.02 . 1 . . . . . . . . 6100 1 79 . 1 1 14 14 ALA HB3 H 1 1.44 0.02 . 1 . . . . . . . . 6100 1 80 . 1 1 14 14 ALA N N 15 122.9 0.3 . 1 . . . . . . . . 6100 1 81 . 1 1 15 15 THR CA C 13 63.1 0.3 . 1 . . . . . . . . 6100 1 82 . 1 1 15 15 THR CB C 13 69.4 0.3 . 1 . . . . . . . . 6100 1 83 . 1 1 15 15 THR CG2 C 13 21.1 0.3 . 1 . . . . . . . . 6100 1 84 . 1 1 15 15 THR H H 1 7.88 0.02 . 1 . . . . . . . . 6100 1 85 . 1 1 15 15 THR HA H 1 4.73 0.02 . 1 . . . . . . . . 6100 1 86 . 1 1 15 15 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6100 1 87 . 1 1 15 15 THR N N 15 112.5 0.3 . 1 . . . . . . . . 6100 1 88 . 1 1 16 16 ALA CA C 13 53.6 0.3 . 1 . . . . . . . . 6100 1 89 . 1 1 16 16 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 6100 1 90 . 1 1 16 16 ALA H H 1 8.24 0.02 . 1 . . . . . . . . 6100 1 91 . 1 1 16 16 ALA HA H 1 4.23 0.02 . 1 . . . . . . . . 6100 1 92 . 1 1 16 16 ALA HB1 H 1 1.33 0.02 . 1 . . . . . . . . 6100 1 93 . 1 1 16 16 ALA HB2 H 1 1.33 0.02 . 1 . . . . . . . . 6100 1 94 . 1 1 16 16 ALA HB3 H 1 1.33 0.02 . 1 . . . . . . . . 6100 1 95 . 1 1 16 16 ALA N N 15 125.1 0.3 . 1 . . . . . . . . 6100 1 96 . 1 1 17 17 SER CA C 13 59.3 0.3 . 1 . . . . . . . . 6100 1 97 . 1 1 17 17 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 6100 1 98 . 1 1 17 17 SER H H 1 8.23 0.02 . 1 . . . . . . . . 6100 1 99 . 1 1 17 17 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 6100 1 100 . 1 1 17 17 SER HB2 H 1 3.97 0.02 . 1 . . . . . . . . 6100 1 101 . 1 1 17 17 SER N N 15 113.2 0.3 . 1 . . . . . . . . 6100 1 102 . 1 1 18 18 THR CA C 13 62.6 0.3 . 1 . . . . . . . . 6100 1 103 . 1 1 18 18 THR CB C 13 69.5 0.3 . 1 . . . . . . . . 6100 1 104 . 1 1 18 18 THR CG2 C 13 21.0 0.3 . 1 . . . . . . . . 6100 1 105 . 1 1 18 18 THR H H 1 7.96 0.02 . 1 . . . . . . . . 6100 1 106 . 1 1 18 18 THR HA H 1 4.29 0.02 . 1 . . . . . . . . 6100 1 107 . 1 1 18 18 THR HB H 1 3.96 0.02 . 1 . . . . . . . . 6100 1 108 . 1 1 18 18 THR N N 15 114.3 0.3 . 1 . . . . . . . . 6100 1 109 . 1 1 19 19 MET CA C 13 56.3 0.3 . 1 . . . . . . . . 6100 1 110 . 1 1 19 19 MET CB C 13 32.0 0.3 . 1 . . . . . . . . 6100 1 111 . 1 1 19 19 MET H H 1 8.11 0.02 . 1 . . . . . . . . 6100 1 112 . 1 1 19 19 MET HA H 1 4.33 0.02 . 1 . . . . . . . . 6100 1 113 . 1 1 19 19 MET HB2 H 1 2.07 0.02 . 1 . . . . . . . . 6100 1 114 . 1 1 19 19 MET N N 15 120.5 0.3 . 1 . . . . . . . . 6100 1 115 . 1 1 20 20 ASP CA C 13 55.4 0.3 . 1 . . . . . . . . 6100 1 116 . 1 1 20 20 ASP CB C 13 40.8 0.3 . 1 . . . . . . . . 6100 1 117 . 1 1 20 20 ASP H H 1 8.14 0.02 . 1 . . . . . . . . 6100 1 118 . 1 1 20 20 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 6100 1 119 . 1 1 20 20 ASP HB2 H 1 2.54 0.02 . 1 . . . . . . . . 6100 1 120 . 1 1 20 20 ASP N N 15 120.2 0.3 . 1 . . . . . . . . 6100 1 121 . 1 1 21 21 HIS CA C 13 57.5 0.3 . 1 . . . . . . . . 6100 1 122 . 1 1 21 21 HIS CB C 13 32.2 0.3 . 1 . . . . . . . . 6100 1 123 . 1 1 21 21 HIS H H 1 7.86 0.02 . 1 . . . . . . . . 6100 1 124 . 1 1 21 21 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 6100 1 125 . 1 1 21 21 HIS HB3 H 1 3.13 0.02 . 1 . . . . . . . . 6100 1 126 . 1 1 21 21 HIS N N 15 122.2 0.3 . 1 . . . . . . . . 6100 1 127 . 1 1 22 22 ALA CA C 13 53.4 0.3 . 1 . . . . . . . . 6100 1 128 . 1 1 22 22 ALA CB C 13 18.5 0.3 . 1 . . . . . . . . 6100 1 129 . 1 1 22 22 ALA H H 1 7.87 0.02 . 1 . . . . . . . . 6100 1 130 . 1 1 22 22 ALA HA H 1 4.57 0.02 . 1 . . . . . . . . 6100 1 131 . 1 1 22 22 ALA HB1 H 1 1.51 0.02 . 1 . . . . . . . . 6100 1 132 . 1 1 22 22 ALA HB2 H 1 1.51 0.02 . 1 . . . . . . . . 6100 1 133 . 1 1 22 22 ALA HB3 H 1 1.51 0.02 . 1 . . . . . . . . 6100 1 134 . 1 1 22 22 ALA N N 15 122.6 0.3 . 1 . . . . . . . . 6100 1 135 . 1 1 23 23 ARG CA C 13 56.9 0.3 . 1 . . . . . . . . 6100 1 136 . 1 1 23 23 ARG CB C 13 30.2 0.3 . 1 . . . . . . . . 6100 1 137 . 1 1 23 23 ARG CG C 13 26.2 0.3 . 1 . . . . . . . . 6100 1 138 . 1 1 23 23 ARG CD C 13 43.0 0.3 . 1 . . . . . . . . 6100 1 139 . 1 1 23 23 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 6100 1 140 . 1 1 23 23 ARG HA H 1 4.16 0.02 . 1 . . . . . . . . 6100 1 141 . 1 1 23 23 ARG HB3 H 1 1.76 0.02 . 1 . . . . . . . . 6100 1 142 . 1 1 23 23 ARG N N 15 116.8 0.3 . 1 . . . . . . . . 6100 1 143 . 1 1 24 24 HIS CA C 13 56.5 0.3 . 1 . . . . . . . . 6100 1 144 . 1 1 24 24 HIS CB C 13 30.6 0.3 . 1 . . . . . . . . 6100 1 145 . 1 1 24 24 HIS H H 1 7.85 0.02 . 1 . . . . . . . . 6100 1 146 . 1 1 24 24 HIS HA H 1 4.58 0.02 . 1 . . . . . . . . 6100 1 147 . 1 1 24 24 HIS HB3 H 1 3.07 0.02 . 1 . . . . . . . . 6100 1 148 . 1 1 24 24 HIS N N 15 117.4 0.3 . 1 . . . . . . . . 6100 1 149 . 1 1 25 25 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 150 . 1 1 25 25 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 6100 1 151 . 1 1 25 25 GLY HA2 H 1 3.93 0.02 . 1 . . . . . . . . 6100 1 152 . 1 1 25 25 GLY N N 15 108.7 0.3 . 1 . . . . . . . . 6100 1 153 . 1 1 26 26 PHE CA C 13 57.4 0.3 . 1 . . . . . . . . 6100 1 154 . 1 1 26 26 PHE CB C 13 39.3 0.3 . 1 . . . . . . . . 6100 1 155 . 1 1 26 26 PHE H H 1 7.91 0.02 . 1 . . . . . . . . 6100 1 156 . 1 1 26 26 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 6100 1 157 . 1 1 26 26 PHE HB3 H 1 3.06 0.02 . 1 . . . . . . . . 6100 1 158 . 1 1 26 26 PHE N N 15 118.1 0.3 . 1 . . . . . . . . 6100 1 159 . 1 1 27 27 LEU CA C 13 52.3 0.3 . 1 . . . . . . . . 6100 1 160 . 1 1 27 27 LEU CB C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 161 . 1 1 27 27 LEU H H 1 7.65 0.02 . 1 . . . . . . . . 6100 1 162 . 1 1 27 27 LEU HA H 1 4.44 0.02 . 1 . . . . . . . . 6100 1 163 . 1 1 27 27 LEU HB2 H 1 1.59 0.02 . 2 . . . . . . . . 6100 1 164 . 1 1 27 27 LEU HB3 H 1 1.32 0.02 . 2 . . . . . . . . 6100 1 165 . 1 1 27 27 LEU N N 15 119.8 0.3 . 1 . . . . . . . . 6100 1 166 . 1 1 28 28 PRO CA C 13 62.3 0.3 . 1 . . . . . . . . 6100 1 167 . 1 1 28 28 PRO CB C 13 34.3 0.3 . 1 . . . . . . . . 6100 1 168 . 1 1 28 28 PRO CG C 13 28.8 0.3 . 1 . . . . . . . . 6100 1 169 . 1 1 28 28 PRO CD C 13 49.9 0.3 . 1 . . . . . . . . 6100 1 170 . 1 1 28 28 PRO HA H 1 4.50 0.02 . 1 . . . . . . . . 6100 1 171 . 1 1 28 28 PRO HB2 H 1 2.35 0.02 . 2 . . . . . . . . 6100 1 172 . 1 1 28 28 PRO HB3 H 1 2.12 0.02 . 2 . . . . . . . . 6100 1 173 . 1 1 29 29 ARG CA C 13 56.3 0.3 . 1 . . . . . . . . 6100 1 174 . 1 1 29 29 ARG CB C 13 32.8 0.3 . 1 . . . . . . . . 6100 1 175 . 1 1 29 29 ARG CG C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 176 . 1 1 29 29 ARG CD C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 177 . 1 1 29 29 ARG H H 1 8.64 0.02 . 1 . . . . . . . . 6100 1 178 . 1 1 29 29 ARG HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 179 . 1 1 29 29 ARG HB3 H 1 1.78 0.02 . 1 . . . . . . . . 6100 1 180 . 1 1 29 29 ARG N N 15 120.7 0.3 . 1 . . . . . . . . 6100 1 181 . 1 1 30 30 HIS CA C 13 53.5 0.3 . 1 . . . . . . . . 6100 1 182 . 1 1 30 30 HIS CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 183 . 1 1 30 30 HIS H H 1 8.26 0.02 . 1 . . . . . . . . 6100 1 184 . 1 1 30 30 HIS HA H 1 4.60 0.02 . 1 . . . . . . . . 6100 1 185 . 1 1 30 30 HIS HB3 H 1 2.70 0.02 . 1 . . . . . . . . 6100 1 186 . 1 1 30 30 HIS N N 15 122.2 0.3 . 1 . . . . . . . . 6100 1 187 . 1 1 31 31 ARG CA C 13 56.2 0.3 . 1 . . . . . . . . 6100 1 188 . 1 1 31 31 ARG CB C 13 29.9 0.3 . 1 . . . . . . . . 6100 1 189 . 1 1 31 31 ARG CG C 13 27.2 0.3 . 1 . . . . . . . . 6100 1 190 . 1 1 31 31 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 191 . 1 1 31 31 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 6100 1 192 . 1 1 31 31 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 6100 1 193 . 1 1 31 31 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6100 1 194 . 1 1 31 31 ARG N N 15 121.0 0.3 . 1 . . . . . . . . 6100 1 195 . 1 1 32 32 ASP CA C 13 54.6 0.3 . 1 . . . . . . . . 6100 1 196 . 1 1 32 32 ASP CB C 13 40.9 0.3 . 1 . . . . . . . . 6100 1 197 . 1 1 32 32 ASP H H 1 8.44 0.02 . 1 . . . . . . . . 6100 1 198 . 1 1 32 32 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 6100 1 199 . 1 1 32 32 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . 6100 1 200 . 1 1 32 32 ASP N N 15 120.7 0.3 . 1 . . . . . . . . 6100 1 201 . 1 1 33 33 THR CA C 13 63.0 0.3 . 1 . . . . . . . . 6100 1 202 . 1 1 33 33 THR CB C 13 69.0 0.3 . 1 . . . . . . . . 6100 1 203 . 1 1 33 33 THR CG2 C 13 21.6 0.3 . 1 . . . . . . . . 6100 1 204 . 1 1 33 33 THR H H 1 8.09 0.02 . 1 . . . . . . . . 6100 1 205 . 1 1 33 33 THR HA H 1 4.62 0.02 . 1 . . . . . . . . 6100 1 206 . 1 1 33 33 THR HB H 1 4.21 0.02 . 1 . . . . . . . . 6100 1 207 . 1 1 33 33 THR N N 15 113.3 0.3 . 1 . . . . . . . . 6100 1 208 . 1 1 34 34 GLY CA C 13 46.1 0.3 . 1 . . . . . . . . 6100 1 209 . 1 1 34 34 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 6100 1 210 . 1 1 34 34 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 6100 1 211 . 1 1 34 34 GLY N N 15 110.3 0.3 . 1 . . . . . . . . 6100 1 212 . 1 1 35 35 ILE CA C 13 63.2 0.3 . 1 . . . . . . . . 6100 1 213 . 1 1 35 35 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 6100 1 214 . 1 1 35 35 ILE CG1 C 13 28.1 0.3 . 1 . . . . . . . . 6100 1 215 . 1 1 35 35 ILE CG2 C 13 16.8 0.3 . 1 . . . . . . . . 6100 1 216 . 1 1 35 35 ILE CD1 C 13 12.4 0.3 . 1 . . . . . . . . 6100 1 217 . 1 1 35 35 ILE H H 1 7.93 0.02 . 1 . . . . . . . . 6100 1 218 . 1 1 35 35 ILE HA H 1 4.42 0.02 . 1 . . . . . . . . 6100 1 219 . 1 1 35 35 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 6100 1 220 . 1 1 35 35 ILE N N 15 121.0 0.3 . 1 . . . . . . . . 6100 1 221 . 1 1 36 36 LEU CA C 13 57.0 0.3 . 1 . . . . . . . . 6100 1 222 . 1 1 36 36 LEU CB C 13 41.2 0.3 . 1 . . . . . . . . 6100 1 223 . 1 1 36 36 LEU CG C 13 26.8 0.3 . 1 . . . . . . . . 6100 1 224 . 1 1 36 36 LEU CD1 C 13 24.1 0.3 . 1 . . . . . . . . 6100 1 225 . 1 1 36 36 LEU CD2 C 13 22.4 0.3 . 1 . . . . . . . . 6100 1 226 . 1 1 36 36 LEU H H 1 7.96 0.02 . 1 . . . . . . . . 6100 1 227 . 1 1 36 36 LEU HA H 1 4.17 0.02 . 1 . . . . . . . . 6100 1 228 . 1 1 36 36 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6100 1 229 . 1 1 36 36 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 6100 1 230 . 1 1 36 36 LEU N N 15 121.0 0.3 . 1 . . . . . . . . 6100 1 231 . 1 1 37 37 ASP CA C 13 56.2 0.3 . 1 . . . . . . . . 6100 1 232 . 1 1 37 37 ASP CB C 13 40.7 0.3 . 1 . . . . . . . . 6100 1 233 . 1 1 37 37 ASP H H 1 8.15 0.02 . 1 . . . . . . . . 6100 1 234 . 1 1 37 37 ASP HA H 1 4.47 0.02 . 1 . . . . . . . . 6100 1 235 . 1 1 37 37 ASP HB2 H 1 2.72 0.02 . 1 . . . . . . . . 6100 1 236 . 1 1 37 37 ASP N N 15 118.7 0.3 . 1 . . . . . . . . 6100 1 237 . 1 1 38 38 SER CA C 13 58.9 0.3 . 1 . . . . . . . . 6100 1 238 . 1 1 38 38 SER CB C 13 62.9 0.3 . 1 . . . . . . . . 6100 1 239 . 1 1 38 38 SER H H 1 7.92 0.02 . 1 . . . . . . . . 6100 1 240 . 1 1 38 38 SER HA H 1 4.29 0.02 . 1 . . . . . . . . 6100 1 241 . 1 1 38 38 SER HB2 H 1 3.98 0.02 . 1 . . . . . . . . 6100 1 242 . 1 1 38 38 SER N N 15 114.8 0.3 . 1 . . . . . . . . 6100 1 243 . 1 1 39 39 ILE CA C 13 63.9 0.3 . 1 . . . . . . . . 6100 1 244 . 1 1 39 39 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 6100 1 245 . 1 1 39 39 ILE CG1 C 13 27.9 0.3 . 1 . . . . . . . . 6100 1 246 . 1 1 39 39 ILE CG2 C 13 16.7 0.3 . 1 . . . . . . . . 6100 1 247 . 1 1 39 39 ILE CD1 C 13 12.3 0.3 . 1 . . . . . . . . 6100 1 248 . 1 1 39 39 ILE H H 1 8.12 0.02 . 1 . . . . . . . . 6100 1 249 . 1 1 39 39 ILE HA H 1 3.94 0.02 . 1 . . . . . . . . 6100 1 250 . 1 1 39 39 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 6100 1 251 . 1 1 39 39 ILE N N 15 122.1 0.3 . 1 . . . . . . . . 6100 1 252 . 1 1 40 40 GLY CA C 13 46.6 0.3 . 1 . . . . . . . . 6100 1 253 . 1 1 40 40 GLY H H 1 8.30 0.02 . 1 . . . . . . . . 6100 1 254 . 1 1 40 40 GLY HA2 H 1 3.75 0.02 . 1 . . . . . . . . 6100 1 255 . 1 1 40 40 GLY N N 15 107.2 0.3 . 1 . . . . . . . . 6100 1 256 . 1 1 41 41 ARG CA C 13 56.8 0.3 . 1 . . . . . . . . 6100 1 257 . 1 1 41 41 ARG CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 258 . 1 1 41 41 ARG CG C 13 24.4 0.3 . 1 . . . . . . . . 6100 1 259 . 1 1 41 41 ARG CD C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 260 . 1 1 41 41 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 6100 1 261 . 1 1 41 41 ARG HA H 1 4.21 0.02 . 1 . . . . . . . . 6100 1 262 . 1 1 41 41 ARG HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6100 1 263 . 1 1 41 41 ARG N N 15 117.5 0.3 . 1 . . . . . . . . 6100 1 264 . 1 1 42 42 PHE CA C 13 58.9 0.3 . 1 . . . . . . . . 6100 1 265 . 1 1 42 42 PHE CB C 13 38.2 0.3 . 1 . . . . . . . . 6100 1 266 . 1 1 42 42 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 6100 1 267 . 1 1 42 42 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 6100 1 268 . 1 1 42 42 PHE HB2 H 1 3.22 0.02 . 2 . . . . . . . . 6100 1 269 . 1 1 42 42 PHE HB3 H 1 3.07 0.02 . 2 . . . . . . . . 6100 1 270 . 1 1 42 42 PHE N N 15 119.9 0.3 . 1 . . . . . . . . 6100 1 271 . 1 1 43 43 PHE CA C 13 57.7 0.3 . 1 . . . . . . . . 6100 1 272 . 1 1 43 43 PHE CB C 13 39.2 0.3 . 1 . . . . . . . . 6100 1 273 . 1 1 43 43 PHE H H 1 7.89 0.02 . 1 . . . . . . . . 6100 1 274 . 1 1 43 43 PHE HA H 1 4.47 0.02 . 1 . . . . . . . . 6100 1 275 . 1 1 43 43 PHE HB2 H 1 3.01 0.02 . 2 . . . . . . . . 6100 1 276 . 1 1 43 43 PHE HB3 H 1 2.87 0.02 . 2 . . . . . . . . 6100 1 277 . 1 1 43 43 PHE N N 15 119.0 0.3 . 1 . . . . . . . . 6100 1 278 . 1 1 44 44 SER CA C 13 59.1 0.3 . 1 . . . . . . . . 6100 1 279 . 1 1 44 44 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 6100 1 280 . 1 1 44 44 SER H H 1 7.86 0.02 . 1 . . . . . . . . 6100 1 281 . 1 1 44 44 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 6100 1 282 . 1 1 44 44 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 6100 1 283 . 1 1 44 44 SER N N 15 115.8 0.3 . 1 . . . . . . . . 6100 1 284 . 1 1 45 45 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 285 . 1 1 45 45 GLY H H 1 8.25 0.02 . 1 . . . . . . . . 6100 1 286 . 1 1 45 45 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 6100 1 287 . 1 1 45 45 GLY N N 15 109.6 0.3 . 1 . . . . . . . . 6100 1 288 . 1 1 46 46 ASP CA C 13 54.3 0.3 . 1 . . . . . . . . 6100 1 289 . 1 1 46 46 ASP CB C 13 41.1 0.3 . 1 . . . . . . . . 6100 1 290 . 1 1 46 46 ASP H H 1 8.17 0.02 . 1 . . . . . . . . 6100 1 291 . 1 1 46 46 ASP HA H 1 4.32 0.02 . 1 . . . . . . . . 6100 1 292 . 1 1 46 46 ASP HB2 H 1 2.68 0.02 . 1 . . . . . . . . 6100 1 293 . 1 1 46 46 ASP N N 15 120.1 0.3 . 1 . . . . . . . . 6100 1 294 . 1 1 47 47 ARG CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 295 . 1 1 47 47 ARG CB C 13 33.0 0.3 . 1 . . . . . . . . 6100 1 296 . 1 1 47 47 ARG CG C 13 24.5 0.3 . 1 . . . . . . . . 6100 1 297 . 1 1 47 47 ARG CD C 13 43.2 0.3 . 1 . . . . . . . . 6100 1 298 . 1 1 47 47 ARG H H 1 8.27 0.02 . 1 . . . . . . . . 6100 1 299 . 1 1 47 47 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 6100 1 300 . 1 1 47 47 ARG HB3 H 1 1.69 0.02 . 1 . . . . . . . . 6100 1 301 . 1 1 47 47 ARG N N 15 120.8 0.3 . 1 . . . . . . . . 6100 1 302 . 1 1 48 48 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 6100 1 303 . 1 1 48 48 GLY H H 1 8.41 0.02 . 1 . . . . . . . . 6100 1 304 . 1 1 48 48 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 6100 1 305 . 1 1 48 48 GLY N N 15 108.8 0.3 . 1 . . . . . . . . 6100 1 306 . 1 1 49 49 ALA CA C 13 50.5 0.3 . 1 . . . . . . . . 6100 1 307 . 1 1 49 49 ALA CB C 13 17.7 0.3 . 1 . . . . . . . . 6100 1 308 . 1 1 49 49 ALA H H 1 7.89 0.02 . 1 . . . . . . . . 6100 1 309 . 1 1 49 49 ALA HA H 1 4.53 0.02 . 1 . . . . . . . . 6100 1 310 . 1 1 49 49 ALA HB1 H 1 1.38 0.02 . 1 . . . . . . . . 6100 1 311 . 1 1 49 49 ALA HB2 H 1 1.38 0.02 . 1 . . . . . . . . 6100 1 312 . 1 1 49 49 ALA HB3 H 1 1.38 0.02 . 1 . . . . . . . . 6100 1 313 . 1 1 49 49 ALA N N 15 124.0 0.3 . 1 . . . . . . . . 6100 1 314 . 1 1 50 50 PRO CA C 13 63.3 0.3 . 1 . . . . . . . . 6100 1 315 . 1 1 50 50 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 6100 1 316 . 1 1 50 50 PRO CG C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 317 . 1 1 50 50 PRO CD C 13 50.2 0.3 . 1 . . . . . . . . 6100 1 318 . 1 1 50 50 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 6100 1 319 . 1 1 50 50 PRO HB2 H 1 2.23 0.02 . 1 . . . . . . . . 6100 1 320 . 1 1 51 51 LYS CA C 13 56.0 0.3 . 1 . . . . . . . . 6100 1 321 . 1 1 51 51 LYS CB C 13 31.6 0.3 . 1 . . . . . . . . 6100 1 322 . 1 1 51 51 LYS CG C 13 26.8 0.3 . 1 . . . . . . . . 6100 1 323 . 1 1 51 51 LYS CD C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 324 . 1 1 51 51 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 325 . 1 1 51 51 LYS H H 1 8.11 0.02 . 1 . . . . . . . . 6100 1 326 . 1 1 51 51 LYS HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 327 . 1 1 51 51 LYS HB2 H 1 1.80 0.02 . 2 . . . . . . . . 6100 1 328 . 1 1 51 51 LYS HB3 H 1 1.65 0.02 . 2 . . . . . . . . 6100 1 329 . 1 1 51 51 LYS N N 15 119.1 0.3 . 1 . . . . . . . . 6100 1 330 . 1 1 52 52 ARG CA C 13 55.7 0.3 . 1 . . . . . . . . 6100 1 331 . 1 1 52 52 ARG CB C 13 30.5 0.3 . 1 . . . . . . . . 6100 1 332 . 1 1 52 52 ARG CG C 13 28.1 0.3 . 1 . . . . . . . . 6100 1 333 . 1 1 52 52 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 334 . 1 1 52 52 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 335 . 1 1 52 52 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 6100 1 336 . 1 1 52 52 ARG HB3 H 1 1.93 0.02 . 1 . . . . . . . . 6100 1 337 . 1 1 52 52 ARG N N 15 119.0 0.3 . 1 . . . . . . . . 6100 1 338 . 1 1 53 53 GLY CA C 13 44.7 0.3 . 1 . . . . . . . . 6100 1 339 . 1 1 53 53 GLY H H 1 8.33 0.02 . 1 . . . . . . . . 6100 1 340 . 1 1 53 53 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 6100 1 341 . 1 1 53 53 GLY N N 15 108.1 0.3 . 1 . . . . . . . . 6100 1 342 . 1 1 54 54 SER CA C 13 58.2 0.3 . 1 . . . . . . . . 6100 1 343 . 1 1 54 54 SER CB C 13 63.9 0.3 . 1 . . . . . . . . 6100 1 344 . 1 1 54 54 SER H H 1 8.28 0.02 . 1 . . . . . . . . 6100 1 345 . 1 1 54 54 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 6100 1 346 . 1 1 54 54 SER HB2 H 1 3.92 0.02 . 1 . . . . . . . . 6100 1 347 . 1 1 54 54 SER N N 15 114.8 0.3 . 1 . . . . . . . . 6100 1 348 . 1 1 55 55 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 6100 1 349 . 1 1 55 55 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 6100 1 350 . 1 1 55 55 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 6100 1 351 . 1 1 55 55 GLY N N 15 110.4 0.3 . 1 . . . . . . . . 6100 1 352 . 1 1 56 56 LYS CA C 13 56.9 0.3 . 1 . . . . . . . . 6100 1 353 . 1 1 56 56 LYS CB C 13 30.1 0.3 . 1 . . . . . . . . 6100 1 354 . 1 1 56 56 LYS CG C 13 21.2 0.3 . 1 . . . . . . . . 6100 1 355 . 1 1 56 56 LYS CE C 13 43.0 0.3 . 1 . . . . . . . . 6100 1 356 . 1 1 56 56 LYS H H 1 8.02 0.02 . 1 . . . . . . . . 6100 1 357 . 1 1 56 56 LYS HA H 1 4.31 0.02 . 1 . . . . . . . . 6100 1 358 . 1 1 56 56 LYS HB3 H 1 1.87 0.02 . 1 . . . . . . . . 6100 1 359 . 1 1 56 56 LYS N N 15 119.6 0.3 . 1 . . . . . . . . 6100 1 360 . 1 1 57 57 ASP CA C 13 54.0 0.3 . 1 . . . . . . . . 6100 1 361 . 1 1 57 57 ASP CB C 13 40.9 0.3 . 1 . . . . . . . . 6100 1 362 . 1 1 57 57 ASP H H 1 8.12 0.02 . 1 . . . . . . . . 6100 1 363 . 1 1 57 57 ASP HA H 1 4.66 0.02 . 1 . . . . . . . . 6100 1 364 . 1 1 57 57 ASP HB2 H 1 2.73 0.02 . 1 . . . . . . . . 6100 1 365 . 1 1 57 57 ASP N N 15 120.6 0.3 . 1 . . . . . . . . 6100 1 366 . 1 1 58 58 SER CA C 13 58.7 0.3 . 1 . . . . . . . . 6100 1 367 . 1 1 58 58 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 6100 1 368 . 1 1 58 58 SER H H 1 8.29 0.02 . 1 . . . . . . . . 6100 1 369 . 1 1 58 58 SER HA H 1 4.50 0.02 . 1 . . . . . . . . 6100 1 370 . 1 1 58 58 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6100 1 371 . 1 1 58 58 SER N N 15 117.0 0.3 . 1 . . . . . . . . 6100 1 372 . 1 1 59 59 HIS CA C 13 54.0 0.3 . 1 . . . . . . . . 6100 1 373 . 1 1 59 59 HIS CB C 13 31.0 0.3 . 1 . . . . . . . . 6100 1 374 . 1 1 59 59 HIS H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 375 . 1 1 59 59 HIS HA H 1 4.55 0.02 . 1 . . . . . . . . 6100 1 376 . 1 1 59 59 HIS HB2 H 1 3.01 0.02 . 2 . . . . . . . . 6100 1 377 . 1 1 59 59 HIS HB3 H 1 2.86 0.02 . 2 . . . . . . . . 6100 1 378 . 1 1 59 59 HIS N N 15 123.5 0.3 . 1 . . . . . . . . 6100 1 379 . 1 1 60 60 THR CA C 13 59.3 0.3 . 1 . . . . . . . . 6100 1 380 . 1 1 60 60 THR CB C 13 69.6 0.3 . 1 . . . . . . . . 6100 1 381 . 1 1 60 60 THR H H 1 7.87 0.02 . 1 . . . . . . . . 6100 1 382 . 1 1 60 60 THR HA H 1 4.59 0.02 . 1 . . . . . . . . 6100 1 383 . 1 1 60 60 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 6100 1 384 . 1 1 60 60 THR N N 15 115.6 0.3 . 1 . . . . . . . . 6100 1 385 . 1 1 61 61 ARG CA C 13 56.3 0.3 . 1 . . . . . . . . 6100 1 386 . 1 1 61 61 ARG CB C 13 30.5 0.3 . 1 . . . . . . . . 6100 1 387 . 1 1 61 61 ARG CD C 13 43.2 0.3 . 1 . . . . . . . . 6100 1 388 . 1 1 61 61 ARG HA H 1 4.39 0.02 . 1 . . . . . . . . 6100 1 389 . 1 1 61 61 ARG HB3 H 1 1.85 0.02 . 1 . . . . . . . . 6100 1 390 . 1 1 62 62 THR CA C 13 61.9 0.3 . 1 . . . . . . . . 6100 1 391 . 1 1 62 62 THR CB C 13 69.5 0.3 . 1 . . . . . . . . 6100 1 392 . 1 1 62 62 THR CG2 C 13 21.0 0.3 . 1 . . . . . . . . 6100 1 393 . 1 1 62 62 THR H H 1 8.07 0.02 . 1 . . . . . . . . 6100 1 394 . 1 1 62 62 THR HA H 1 4.39 0.02 . 1 . . . . . . . . 6100 1 395 . 1 1 62 62 THR HB H 1 4.24 0.02 . 1 . . . . . . . . 6100 1 396 . 1 1 62 62 THR N N 15 113.9 0.3 . 1 . . . . . . . . 6100 1 397 . 1 1 63 63 THR H H 1 7.98 0.02 . 1 . . . . . . . . 6100 1 398 . 1 1 63 63 THR N N 15 115.1 0.3 . 1 . . . . . . . . 6100 1 399 . 1 1 64 64 HIS CA C 13 59.7 0.3 . 1 . . . . . . . . 6100 1 400 . 1 1 64 64 HIS CB C 13 31.6 0.3 . 1 . . . . . . . . 6100 1 401 . 1 1 64 64 HIS HA H 1 4.34 0.02 . 1 . . . . . . . . 6100 1 402 . 1 1 64 64 HIS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 6100 1 403 . 1 1 65 65 TYR CA C 13 58.7 0.3 . 1 . . . . . . . . 6100 1 404 . 1 1 65 65 TYR CB C 13 39.2 0.3 . 1 . . . . . . . . 6100 1 405 . 1 1 65 65 TYR H H 1 8.07 0.02 . 1 . . . . . . . . 6100 1 406 . 1 1 65 65 TYR HA H 1 4.54 0.02 . 1 . . . . . . . . 6100 1 407 . 1 1 65 65 TYR HB2 H 1 3.30 0.02 . 2 . . . . . . . . 6100 1 408 . 1 1 65 65 TYR HB3 H 1 3.02 0.02 . 2 . . . . . . . . 6100 1 409 . 1 1 65 65 TYR N N 15 117.5 0.3 . 1 . . . . . . . . 6100 1 410 . 1 1 66 66 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 411 . 1 1 66 66 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 6100 1 412 . 1 1 66 66 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 413 . 1 1 66 66 GLY N N 15 109.7 0.3 . 1 . . . . . . . . 6100 1 414 . 1 1 67 67 SER CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 415 . 1 1 67 67 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 6100 1 416 . 1 1 67 67 SER H H 1 8.02 0.02 . 1 . . . . . . . . 6100 1 417 . 1 1 67 67 SER HA H 1 4.51 0.02 . 1 . . . . . . . . 6100 1 418 . 1 1 67 67 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6100 1 419 . 1 1 67 67 SER N N 15 115.8 0.3 . 1 . . . . . . . . 6100 1 420 . 1 1 68 68 LEU CA C 13 53.3 0.3 . 1 . . . . . . . . 6100 1 421 . 1 1 68 68 LEU CB C 13 41.5 0.3 . 1 . . . . . . . . 6100 1 422 . 1 1 68 68 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 423 . 1 1 68 68 LEU HA H 1 4.62 0.02 . 1 . . . . . . . . 6100 1 424 . 1 1 68 68 LEU HB2 H 1 1.61 0.02 . 1 . . . . . . . . 6100 1 425 . 1 1 68 68 LEU N N 15 123.8 0.3 . 1 . . . . . . . . 6100 1 426 . 1 1 69 69 PRO CA C 13 64.2 0.3 . 1 . . . . . . . . 6100 1 427 . 1 1 69 69 PRO CB C 13 31.5 0.3 . 1 . . . . . . . . 6100 1 428 . 1 1 69 69 PRO CG C 13 26.6 0.3 . 1 . . . . . . . . 6100 1 429 . 1 1 69 69 PRO CD C 13 50.6 0.3 . 1 . . . . . . . . 6100 1 430 . 1 1 69 69 PRO HA H 1 4.38 0.02 . 1 . . . . . . . . 6100 1 431 . 1 1 69 69 PRO HB2 H 1 2.35 0.02 . 1 . . . . . . . . 6100 1 432 . 1 1 70 70 GLN CA C 13 59.1 0.3 . 1 . . . . . . . . 6100 1 433 . 1 1 70 70 GLN CB C 13 32.0 0.3 . 1 . . . . . . . . 6100 1 434 . 1 1 70 70 GLN H H 1 8.10 0.02 . 1 . . . . . . . . 6100 1 435 . 1 1 70 70 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 6100 1 436 . 1 1 70 70 GLN HB3 H 1 1.99 0.02 . 1 . . . . . . . . 6100 1 437 . 1 1 70 70 GLN N N 15 117.1 0.3 . 1 . . . . . . . . 6100 1 438 . 1 1 71 71 LYS CA C 13 56.9 0.3 . 1 . . . . . . . . 6100 1 439 . 1 1 71 71 LYS CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 440 . 1 1 71 71 LYS CG C 13 24.6 0.3 . 1 . . . . . . . . 6100 1 441 . 1 1 71 71 LYS CD C 13 29.4 0.3 . 1 . . . . . . . . 6100 1 442 . 1 1 71 71 LYS CE C 13 41.9 0.3 . 1 . . . . . . . . 6100 1 443 . 1 1 71 71 LYS H H 1 7.92 0.02 . 1 . . . . . . . . 6100 1 444 . 1 1 71 71 LYS HA H 1 4.12 0.02 . 1 . . . . . . . . 6100 1 445 . 1 1 71 71 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6100 1 446 . 1 1 71 71 LYS N N 15 116.8 0.3 . 1 . . . . . . . . 6100 1 447 . 1 1 72 72 SER CA C 13 58.4 0.3 . 1 . . . . . . . . 6100 1 448 . 1 1 72 72 SER CB C 13 63.7 0.3 . 1 . . . . . . . . 6100 1 449 . 1 1 72 72 SER H H 1 7.96 0.02 . 1 . . . . . . . . 6100 1 450 . 1 1 72 72 SER HA H 1 4.44 0.02 . 1 . . . . . . . . 6100 1 451 . 1 1 72 72 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6100 1 452 . 1 1 72 72 SER N N 15 114.1 0.3 . 1 . . . . . . . . 6100 1 453 . 1 1 73 73 GLN CA C 13 55.4 0.3 . 1 . . . . . . . . 6100 1 454 . 1 1 73 73 GLN CB C 13 32.5 0.3 . 1 . . . . . . . . 6100 1 455 . 1 1 73 73 GLN CG C 13 33.6 0.3 . 1 . . . . . . . . 6100 1 456 . 1 1 73 73 GLN H H 1 8.10 0.02 . 1 . . . . . . . . 6100 1 457 . 1 1 73 73 GLN HA H 1 4.56 0.02 . 1 . . . . . . . . 6100 1 458 . 1 1 73 73 GLN HB3 H 1 1.67 0.02 . 1 . . . . . . . . 6100 1 459 . 1 1 73 73 GLN N N 15 122.6 0.3 . 1 . . . . . . . . 6100 1 460 . 1 1 74 74 HIS CA C 13 56.0 0.3 . 1 . . . . . . . . 6100 1 461 . 1 1 74 74 HIS CB C 13 30.7 0.3 . 1 . . . . . . . . 6100 1 462 . 1 1 74 74 HIS H H 1 8.31 0.02 . 1 . . . . . . . . 6100 1 463 . 1 1 74 74 HIS HA H 1 4.55 0.02 . 1 . . . . . . . . 6100 1 464 . 1 1 74 74 HIS HB2 H 1 3.15 0.02 . 2 . . . . . . . . 6100 1 465 . 1 1 74 74 HIS HB3 H 1 3.01 0.02 . 2 . . . . . . . . 6100 1 466 . 1 1 74 74 HIS N N 15 121.8 0.3 . 1 . . . . . . . . 6100 1 467 . 1 1 75 75 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 6100 1 468 . 1 1 75 75 GLY H H 1 8.08 0.02 . 1 . . . . . . . . 6100 1 469 . 1 1 75 75 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 6100 1 470 . 1 1 75 75 GLY N N 15 107.8 0.3 . 1 . . . . . . . . 6100 1 471 . 1 1 76 76 ARG CA C 13 55.9 0.3 . 1 . . . . . . . . 6100 1 472 . 1 1 76 76 ARG CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 473 . 1 1 76 76 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 474 . 1 1 76 76 ARG H H 1 7.98 0.02 . 1 . . . . . . . . 6100 1 475 . 1 1 76 76 ARG HA H 1 4.48 0.02 . 1 . . . . . . . . 6100 1 476 . 1 1 76 76 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6100 1 477 . 1 1 76 76 ARG N N 15 121.2 0.3 . 1 . . . . . . . . 6100 1 478 . 1 1 77 77 THR CA C 13 61.8 0.3 . 1 . . . . . . . . 6100 1 479 . 1 1 77 77 THR CB C 13 69.6 0.3 . 1 . . . . . . . . 6100 1 480 . 1 1 77 77 THR CG2 C 13 21.2 0.3 . 1 . . . . . . . . 6100 1 481 . 1 1 77 77 THR H H 1 8.19 0.02 . 1 . . . . . . . . 6100 1 482 . 1 1 77 77 THR HA H 1 4.75 0.02 . 1 . . . . . . . . 6100 1 483 . 1 1 77 77 THR HB H 1 4.35 0.02 . 1 . . . . . . . . 6100 1 484 . 1 1 77 77 THR N N 15 114.5 0.3 . 1 . . . . . . . . 6100 1 485 . 1 1 78 78 GLN CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 486 . 1 1 78 78 GLN CB C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 487 . 1 1 78 78 GLN H H 1 8.45 0.02 . 1 . . . . . . . . 6100 1 488 . 1 1 78 78 GLN HA H 1 4.33 0.02 . 1 . . . . . . . . 6100 1 489 . 1 1 78 78 GLN HB3 H 1 2.37 0.02 . 1 . . . . . . . . 6100 1 490 . 1 1 78 78 GLN N N 15 121.2 0.3 . 1 . . . . . . . . 6100 1 491 . 1 1 79 79 ASP CA C 13 54.5 0.3 . 1 . . . . . . . . 6100 1 492 . 1 1 79 79 ASP CB C 13 41.0 0.3 . 1 . . . . . . . . 6100 1 493 . 1 1 79 79 ASP H H 1 8.23 0.02 . 1 . . . . . . . . 6100 1 494 . 1 1 79 79 ASP HA H 1 4.58 0.02 . 1 . . . . . . . . 6100 1 495 . 1 1 79 79 ASP HB2 H 1 2.65 0.02 . 1 . . . . . . . . 6100 1 496 . 1 1 79 79 ASP N N 15 120.6 0.3 . 1 . . . . . . . . 6100 1 497 . 1 1 80 80 GLU CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 498 . 1 1 80 80 GLU CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 499 . 1 1 80 80 GLU H H 1 8.18 0.02 . 1 . . . . . . . . 6100 1 500 . 1 1 80 80 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 6100 1 501 . 1 1 80 80 GLU HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6100 1 502 . 1 1 80 80 GLU N N 15 120.2 0.3 . 1 . . . . . . . . 6100 1 503 . 1 1 81 81 ASN CA C 13 51.3 0.3 . 1 . . . . . . . . 6100 1 504 . 1 1 81 81 ASN CB C 13 38.9 0.3 . 1 . . . . . . . . 6100 1 505 . 1 1 81 81 ASN H H 1 8.20 0.02 . 1 . . . . . . . . 6100 1 506 . 1 1 81 81 ASN HA H 1 4.58 0.02 . 1 . . . . . . . . 6100 1 507 . 1 1 81 81 ASN HB2 H 1 2.66 0.02 . 1 . . . . . . . . 6100 1 508 . 1 1 81 81 ASN N N 15 120.5 0.3 . 1 . . . . . . . . 6100 1 509 . 1 1 82 82 PRO CA C 13 64.7 0.3 . 1 . . . . . . . . 6100 1 510 . 1 1 82 82 PRO CB C 13 32.8 0.3 . 1 . . . . . . . . 6100 1 511 . 1 1 82 82 PRO CG C 13 27.4 0.3 . 1 . . . . . . . . 6100 1 512 . 1 1 82 82 PRO CD C 13 50.7 0.3 . 1 . . . . . . . . 6100 1 513 . 1 1 82 82 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 6100 1 514 . 1 1 82 82 PRO HB2 H 1 1.91 0.02 . 1 . . . . . . . . 6100 1 515 . 1 1 83 83 VAL CA C 13 65.8 0.3 . 1 . . . . . . . . 6100 1 516 . 1 1 83 83 VAL CB C 13 31.7 0.3 . 1 . . . . . . . . 6100 1 517 . 1 1 83 83 VAL CG1 C 13 21.1 0.3 . 1 . . . . . . . . 6100 1 518 . 1 1 83 83 VAL CG2 C 13 20.2 0.3 . 1 . . . . . . . . 6100 1 519 . 1 1 83 83 VAL H H 1 7.92 0.02 . 1 . . . . . . . . 6100 1 520 . 1 1 83 83 VAL HA H 1 3.79 0.02 . 1 . . . . . . . . 6100 1 521 . 1 1 83 83 VAL HB H 1 2.17 0.02 . 1 . . . . . . . . 6100 1 522 . 1 1 83 83 VAL HG21 H 1 1.01 0.02 . 1 . . . . . . . . 6100 1 523 . 1 1 83 83 VAL HG22 H 1 1.01 0.02 . 1 . . . . . . . . 6100 1 524 . 1 1 83 83 VAL HG23 H 1 1.01 0.02 . 1 . . . . . . . . 6100 1 525 . 1 1 83 83 VAL N N 15 117.8 0.3 . 1 . . . . . . . . 6100 1 526 . 1 1 84 84 VAL CA C 13 65.2 0.3 . 1 . . . . . . . . 6100 1 527 . 1 1 84 84 VAL CB C 13 31.1 0.3 . 1 . . . . . . . . 6100 1 528 . 1 1 84 84 VAL CG1 C 13 18.3 0.3 . 1 . . . . . . . . 6100 1 529 . 1 1 84 84 VAL H H 1 7.45 0.02 . 1 . . . . . . . . 6100 1 530 . 1 1 84 84 VAL HA H 1 3.73 0.02 . 1 . . . . . . . . 6100 1 531 . 1 1 84 84 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 6100 1 532 . 1 1 84 84 VAL N N 15 119.1 0.3 . 1 . . . . . . . . 6100 1 533 . 1 1 85 85 HIS CA C 13 59.7 0.3 . 1 . . . . . . . . 6100 1 534 . 1 1 85 85 HIS CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 535 . 1 1 85 85 HIS H H 1 7.90 0.02 . 1 . . . . . . . . 6100 1 536 . 1 1 85 85 HIS HA H 1 4.68 0.02 . 1 . . . . . . . . 6100 1 537 . 1 1 85 85 HIS HB3 H 1 3.07 0.02 . 1 . . . . . . . . 6100 1 538 . 1 1 85 85 HIS N N 15 117.9 0.3 . 1 . . . . . . . . 6100 1 539 . 1 1 86 86 PHE CA C 13 60.9 0.3 . 1 . . . . . . . . 6100 1 540 . 1 1 86 86 PHE CB C 13 38.8 0.3 . 1 . . . . . . . . 6100 1 541 . 1 1 86 86 PHE H H 1 8.09 0.02 . 1 . . . . . . . . 6100 1 542 . 1 1 86 86 PHE HA H 1 4.21 0.02 . 1 . . . . . . . . 6100 1 543 . 1 1 86 86 PHE HB3 H 1 3.22 0.02 . 1 . . . . . . . . 6100 1 544 . 1 1 86 86 PHE N N 15 119.7 0.3 . 1 . . . . . . . . 6100 1 545 . 1 1 87 87 PHE CA C 13 61.3 0.3 . 1 . . . . . . . . 6100 1 546 . 1 1 87 87 PHE CB C 13 38.3 0.3 . 1 . . . . . . . . 6100 1 547 . 1 1 87 87 PHE H H 1 8.41 0.02 . 1 . . . . . . . . 6100 1 548 . 1 1 87 87 PHE HA H 1 4.16 0.02 . 1 . . . . . . . . 6100 1 549 . 1 1 87 87 PHE HB3 H 1 3.15 0.02 . 1 . . . . . . . . 6100 1 550 . 1 1 87 87 PHE N N 15 118.7 0.3 . 1 . . . . . . . . 6100 1 551 . 1 1 88 88 LYS CA C 13 59.0 0.3 . 1 . . . . . . . . 6100 1 552 . 1 1 88 88 LYS CB C 13 32.3 0.3 . 1 . . . . . . . . 6100 1 553 . 1 1 88 88 LYS CG C 13 25.0 0.3 . 1 . . . . . . . . 6100 1 554 . 1 1 88 88 LYS CD C 13 29.6 0.3 . 1 . . . . . . . . 6100 1 555 . 1 1 88 88 LYS CE C 13 41.7 0.3 . 1 . . . . . . . . 6100 1 556 . 1 1 88 88 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 6100 1 557 . 1 1 88 88 LYS HA H 1 3.98 0.02 . 1 . . . . . . . . 6100 1 558 . 1 1 88 88 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 6100 1 559 . 1 1 88 88 LYS N N 15 118.1 0.3 . 1 . . . . . . . . 6100 1 560 . 1 1 89 89 ASN CA C 13 54.6 0.3 . 1 . . . . . . . . 6100 1 561 . 1 1 89 89 ASN CB C 13 39.4 0.3 . 1 . . . . . . . . 6100 1 562 . 1 1 89 89 ASN H H 1 7.80 0.02 . 1 . . . . . . . . 6100 1 563 . 1 1 89 89 ASN HA H 1 4.59 0.02 . 1 . . . . . . . . 6100 1 564 . 1 1 89 89 ASN HB2 H 1 2.61 0.02 . 1 . . . . . . . . 6100 1 565 . 1 1 89 89 ASN N N 15 114.5 0.3 . 1 . . . . . . . . 6100 1 566 . 1 1 90 90 ILE CA C 13 62.0 0.3 . 1 . . . . . . . . 6100 1 567 . 1 1 90 90 ILE CB C 13 37.6 0.3 . 1 . . . . . . . . 6100 1 568 . 1 1 90 90 ILE CG1 C 13 26.9 0.3 . 1 . . . . . . . . 6100 1 569 . 1 1 90 90 ILE CG2 C 13 16.6 0.3 . 1 . . . . . . . . 6100 1 570 . 1 1 90 90 ILE CD1 C 13 11.4 0.3 . 1 . . . . . . . . 6100 1 571 . 1 1 90 90 ILE H H 1 7.64 0.02 . 1 . . . . . . . . 6100 1 572 . 1 1 90 90 ILE HA H 1 4.03 0.02 . 1 . . . . . . . . 6100 1 573 . 1 1 90 90 ILE HB H 1 1.76 0.02 . 1 . . . . . . . . 6100 1 574 . 1 1 90 90 ILE HG13 H 1 1.30 0.02 . 1 . . . . . . . . 6100 1 575 . 1 1 90 90 ILE HG21 H 1 1.04 0.02 . 1 . . . . . . . . 6100 1 576 . 1 1 90 90 ILE HG22 H 1 1.04 0.02 . 1 . . . . . . . . 6100 1 577 . 1 1 90 90 ILE HG23 H 1 1.04 0.02 . 1 . . . . . . . . 6100 1 578 . 1 1 90 90 ILE HD11 H 1 0.72 0.02 . 1 . . . . . . . . 6100 1 579 . 1 1 90 90 ILE HD12 H 1 0.72 0.02 . 1 . . . . . . . . 6100 1 580 . 1 1 90 90 ILE HD13 H 1 0.72 0.02 . 1 . . . . . . . . 6100 1 581 . 1 1 90 90 ILE N N 15 118.1 0.3 . 1 . . . . . . . . 6100 1 582 . 1 1 91 91 VAL CA C 13 63.4 0.3 . 1 . . . . . . . . 6100 1 583 . 1 1 91 91 VAL CB C 13 31.9 0.3 . 1 . . . . . . . . 6100 1 584 . 1 1 91 91 VAL CG1 C 13 20.3 0.3 . 1 . . . . . . . . 6100 1 585 . 1 1 91 91 VAL H H 1 7.52 0.02 . 1 . . . . . . . . 6100 1 586 . 1 1 91 91 VAL HA H 1 3.92 0.02 . 1 . . . . . . . . 6100 1 587 . 1 1 91 91 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 6100 1 588 . 1 1 91 91 VAL HG21 H 1 0.81 0.02 . 1 . . . . . . . . 6100 1 589 . 1 1 91 91 VAL HG22 H 1 0.81 0.02 . 1 . . . . . . . . 6100 1 590 . 1 1 91 91 VAL HG23 H 1 0.81 0.02 . 1 . . . . . . . . 6100 1 591 . 1 1 91 91 VAL N N 15 117.7 0.3 . 1 . . . . . . . . 6100 1 592 . 1 1 92 92 THR CA C 13 61.5 0.3 . 1 . . . . . . . . 6100 1 593 . 1 1 92 92 THR CB C 13 69.1 0.3 . 1 . . . . . . . . 6100 1 594 . 1 1 92 92 THR H H 1 7.72 0.02 . 1 . . . . . . . . 6100 1 595 . 1 1 92 92 THR HA H 1 4.42 0.02 . 1 . . . . . . . . 6100 1 596 . 1 1 92 92 THR HB H 1 4.20 0.02 . 1 . . . . . . . . 6100 1 597 . 1 1 92 92 THR N N 15 116.6 0.3 . 1 . . . . . . . . 6100 1 598 . 1 1 93 93 PRO CA C 13 63.0 0.3 . 1 . . . . . . . . 6100 1 599 . 1 1 93 93 PRO CB C 13 31.5 0.3 . 1 . . . . . . . . 6100 1 600 . 1 1 93 93 PRO CG C 13 27.4 0.3 . 1 . . . . . . . . 6100 1 601 . 1 1 93 93 PRO CD C 13 50.2 0.3 . 1 . . . . . . . . 6100 1 602 . 1 1 93 93 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 6100 1 603 . 1 1 93 93 PRO HB2 H 1 2.27 0.02 . 1 . . . . . . . . 6100 1 604 . 1 1 94 94 ARG CA C 13 56.4 0.3 . 1 . . . . . . . . 6100 1 605 . 1 1 94 94 ARG CB C 13 32.7 0.3 . 1 . . . . . . . . 6100 1 606 . 1 1 94 94 ARG CG C 13 29.1 0.3 . 1 . . . . . . . . 6100 1 607 . 1 1 94 94 ARG CD C 13 41.9 0.3 . 1 . . . . . . . . 6100 1 608 . 1 1 94 94 ARG H H 1 8.26 0.02 . 1 . . . . . . . . 6100 1 609 . 1 1 94 94 ARG HA H 1 4.29 0.02 . 1 . . . . . . . . 6100 1 610 . 1 1 94 94 ARG HB3 H 1 1.83 0.02 . 1 . . . . . . . . 6100 1 611 . 1 1 94 94 ARG N N 15 120.5 0.3 . 1 . . . . . . . . 6100 1 612 . 1 1 95 95 THR CA C 13 58.2 0.3 . 1 . . . . . . . . 6100 1 613 . 1 1 95 95 THR CB C 13 69.0 0.3 . 1 . . . . . . . . 6100 1 614 . 1 1 95 95 THR H H 1 8.21 0.02 . 1 . . . . . . . . 6100 1 615 . 1 1 95 95 THR HA H 1 4.50 0.02 . 1 . . . . . . . . 6100 1 616 . 1 1 95 95 THR HB H 1 4.16 0.02 . 1 . . . . . . . . 6100 1 617 . 1 1 95 95 THR N N 15 115.8 0.3 . 1 . . . . . . . . 6100 1 618 . 1 1 98 98 PRO CA C 13 61.5 0.3 . 1 . . . . . . . . 6100 1 619 . 1 1 98 98 PRO CB C 13 31.9 0.3 . 1 . . . . . . . . 6100 1 620 . 1 1 98 98 PRO CD C 13 49.6 0.3 . 1 . . . . . . . . 6100 1 621 . 1 1 98 98 PRO HA H 1 4.45 0.02 . 1 . . . . . . . . 6100 1 622 . 1 1 99 99 SER CA C 13 62.6 0.3 . 1 . . . . . . . . 6100 1 623 . 1 1 99 99 SER CB C 13 64.7 0.3 . 1 . . . . . . . . 6100 1 624 . 1 1 99 99 SER H H 1 7.91 0.02 . 1 . . . . . . . . 6100 1 625 . 1 1 99 99 SER HA H 1 4.71 0.02 . 1 . . . . . . . . 6100 1 626 . 1 1 99 99 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 6100 1 627 . 1 1 99 99 SER N N 15 115.4 0.3 . 1 . . . . . . . . 6100 1 628 . 1 1 100 100 GLN CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 629 . 1 1 100 100 GLN CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 630 . 1 1 100 100 GLN H H 1 8.26 0.02 . 1 . . . . . . . . 6100 1 631 . 1 1 100 100 GLN HA H 1 4.60 0.02 . 1 . . . . . . . . 6100 1 632 . 1 1 100 100 GLN HB3 H 1 2.23 0.02 . 1 . . . . . . . . 6100 1 633 . 1 1 100 100 GLN N N 15 122.4 0.3 . 1 . . . . . . . . 6100 1 634 . 1 1 101 101 GLY CA C 13 45.1 0.3 . 1 . . . . . . . . 6100 1 635 . 1 1 101 101 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 6100 1 636 . 1 1 101 101 GLY HA2 H 1 3.96 0.02 . 1 . . . . . . . . 6100 1 637 . 1 1 101 101 GLY N N 15 109.3 0.3 . 1 . . . . . . . . 6100 1 638 . 1 1 102 102 LYS CA C 13 56.0 0.3 . 1 . . . . . . . . 6100 1 639 . 1 1 102 102 LYS CB C 13 30.7 0.3 . 1 . . . . . . . . 6100 1 640 . 1 1 102 102 LYS CD C 13 27.3 0.3 . 1 . . . . . . . . 6100 1 641 . 1 1 102 102 LYS CE C 13 43.2 0.3 . 1 . . . . . . . . 6100 1 642 . 1 1 102 102 LYS H H 1 8.24 0.02 . 1 . . . . . . . . 6100 1 643 . 1 1 102 102 LYS HA H 1 4.60 0.02 . 1 . . . . . . . . 6100 1 644 . 1 1 102 102 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 6100 1 645 . 1 1 102 102 LYS N N 15 120.1 0.3 . 1 . . . . . . . . 6100 1 646 . 1 1 103 103 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 647 . 1 1 103 103 GLY H H 1 8.44 0.02 . 1 . . . . . . . . 6100 1 648 . 1 1 103 103 GLY HA2 H 1 3.99 0.02 . 1 . . . . . . . . 6100 1 649 . 1 1 103 103 GLY N N 15 109.8 0.3 . 1 . . . . . . . . 6100 1 650 . 1 1 104 104 ARG CA C 13 56.7 0.3 . 1 . . . . . . . . 6100 1 651 . 1 1 104 104 ARG CB C 13 30.7 0.3 . 1 . . . . . . . . 6100 1 652 . 1 1 104 104 ARG CG C 13 29.1 0.3 . 1 . . . . . . . . 6100 1 653 . 1 1 104 104 ARG CD C 13 43.1 0.3 . 1 . . . . . . . . 6100 1 654 . 1 1 104 104 ARG H H 1 7.99 0.02 . 1 . . . . . . . . 6100 1 655 . 1 1 104 104 ARG HA H 1 4.31 0.02 . 1 . . . . . . . . 6100 1 656 . 1 1 104 104 ARG HB2 H 1 1.93 0.02 . 2 . . . . . . . . 6100 1 657 . 1 1 104 104 ARG HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6100 1 658 . 1 1 104 104 ARG N N 15 120.6 0.3 . 1 . . . . . . . . 6100 1 659 . 1 1 105 105 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 660 . 1 1 105 105 GLY H H 1 8.38 0.02 . 1 . . . . . . . . 6100 1 661 . 1 1 105 105 GLY HA2 H 1 3.90 0.02 . 1 . . . . . . . . 6100 1 662 . 1 1 105 105 GLY N N 15 108.6 0.3 . 1 . . . . . . . . 6100 1 663 . 1 1 106 106 LEU CA C 13 54.6 0.3 . 1 . . . . . . . . 6100 1 664 . 1 1 106 106 LEU CB C 13 41.0 0.3 . 1 . . . . . . . . 6100 1 665 . 1 1 106 106 LEU CG C 13 29.5 0.3 . 1 . . . . . . . . 6100 1 666 . 1 1 106 106 LEU H H 1 8.22 0.02 . 1 . . . . . . . . 6100 1 667 . 1 1 106 106 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 6100 1 668 . 1 1 106 106 LEU HB2 H 1 1.48 0.02 . 1 . . . . . . . . 6100 1 669 . 1 1 106 106 LEU N N 15 120.4 0.3 . 1 . . . . . . . . 6100 1 670 . 1 1 107 107 SER CA C 13 58.1 0.3 . 1 . . . . . . . . 6100 1 671 . 1 1 107 107 SER CB C 13 63.6 0.3 . 1 . . . . . . . . 6100 1 672 . 1 1 107 107 SER H H 1 8.18 0.02 . 1 . . . . . . . . 6100 1 673 . 1 1 107 107 SER HA H 1 4.45 0.02 . 1 . . . . . . . . 6100 1 674 . 1 1 107 107 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 675 . 1 1 107 107 SER N N 15 115.5 0.3 . 1 . . . . . . . . 6100 1 676 . 1 1 108 108 LEU CA C 13 55.5 0.3 . 1 . . . . . . . . 6100 1 677 . 1 1 108 108 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 678 . 1 1 108 108 LEU CG C 13 26.9 0.3 . 1 . . . . . . . . 6100 1 679 . 1 1 108 108 LEU CD1 C 13 24.3 0.3 . 1 . . . . . . . . 6100 1 680 . 1 1 108 108 LEU CD2 C 13 22.8 0.3 . 1 . . . . . . . . 6100 1 681 . 1 1 108 108 LEU H H 1 8.13 0.02 . 1 . . . . . . . . 6100 1 682 . 1 1 108 108 LEU HA H 1 4.36 0.02 . 1 . . . . . . . . 6100 1 683 . 1 1 108 108 LEU HB2 H 1 1.65 0.02 . 1 . . . . . . . . 6100 1 684 . 1 1 108 108 LEU N N 15 123.3 0.3 . 1 . . . . . . . . 6100 1 685 . 1 1 109 109 SER CA C 13 58.7 0.3 . 1 . . . . . . . . 6100 1 686 . 1 1 109 109 SER CB C 13 63.3 0.3 . 1 . . . . . . . . 6100 1 687 . 1 1 109 109 SER H H 1 8.09 0.02 . 1 . . . . . . . . 6100 1 688 . 1 1 109 109 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 6100 1 689 . 1 1 109 109 SER HB2 H 1 3.96 0.02 . 1 . . . . . . . . 6100 1 690 . 1 1 109 109 SER N N 15 114.7 0.3 . 1 . . . . . . . . 6100 1 691 . 1 1 110 110 ARG CA C 13 56.5 0.3 . 1 . . . . . . . . 6100 1 692 . 1 1 110 110 ARG CB C 13 30.1 0.3 . 1 . . . . . . . . 6100 1 693 . 1 1 110 110 ARG CG C 13 26.9 0.3 . 1 . . . . . . . . 6100 1 694 . 1 1 110 110 ARG CD C 13 42.9 0.3 . 1 . . . . . . . . 6100 1 695 . 1 1 110 110 ARG H H 1 8.38 0.02 . 1 . . . . . . . . 6100 1 696 . 1 1 110 110 ARG HA H 1 3.99 0.02 . 1 . . . . . . . . 6100 1 697 . 1 1 110 110 ARG HB3 H 1 1.58 0.02 . 1 . . . . . . . . 6100 1 698 . 1 1 110 110 ARG N N 15 121.5 0.3 . 1 . . . . . . . . 6100 1 699 . 1 1 111 111 PHE CA C 13 58.2 0.3 . 1 . . . . . . . . 6100 1 700 . 1 1 111 111 PHE CB C 13 38.5 0.3 . 1 . . . . . . . . 6100 1 701 . 1 1 111 111 PHE H H 1 7.90 0.02 . 1 . . . . . . . . 6100 1 702 . 1 1 111 111 PHE HA H 1 4.19 0.02 . 1 . . . . . . . . 6100 1 703 . 1 1 111 111 PHE HB3 H 1 2.97 0.02 . 1 . . . . . . . . 6100 1 704 . 1 1 111 111 PHE N N 15 119.1 0.3 . 1 . . . . . . . . 6100 1 705 . 1 1 112 112 SER CA C 13 57.9 0.3 . 1 . . . . . . . . 6100 1 706 . 1 1 112 112 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 6100 1 707 . 1 1 112 112 SER H H 1 7.97 0.02 . 1 . . . . . . . . 6100 1 708 . 1 1 112 112 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 6100 1 709 . 1 1 112 112 SER HB2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 710 . 1 1 112 112 SER N N 15 114.8 0.3 . 1 . . . . . . . . 6100 1 711 . 1 1 113 113 TRP CA C 13 57.4 0.3 . 1 . . . . . . . . 6100 1 712 . 1 1 113 113 TRP CB C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 713 . 1 1 113 113 TRP H H 1 7.90 0.02 . 1 . . . . . . . . 6100 1 714 . 1 1 113 113 TRP HA H 1 4.62 0.02 . 1 . . . . . . . . 6100 1 715 . 1 1 113 113 TRP HB3 H 1 3.26 0.02 . 1 . . . . . . . . 6100 1 716 . 1 1 113 113 TRP N N 15 122.1 0.3 . 1 . . . . . . . . 6100 1 717 . 1 1 114 114 GLY CA C 13 45.1 0.3 . 1 . . . . . . . . 6100 1 718 . 1 1 114 114 GLY H H 1 8.15 0.02 . 1 . . . . . . . . 6100 1 719 . 1 1 114 114 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 720 . 1 1 114 114 GLY N N 15 109.0 0.3 . 1 . . . . . . . . 6100 1 721 . 1 1 115 115 ALA CA C 13 52.6 0.3 . 1 . . . . . . . . 6100 1 722 . 1 1 115 115 ALA CB C 13 18.9 0.3 . 1 . . . . . . . . 6100 1 723 . 1 1 115 115 ALA H H 1 8.02 0.02 . 1 . . . . . . . . 6100 1 724 . 1 1 115 115 ALA HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 725 . 1 1 115 115 ALA HB1 H 1 1.37 0.02 . 1 . . . . . . . . 6100 1 726 . 1 1 115 115 ALA HB2 H 1 1.37 0.02 . 1 . . . . . . . . 6100 1 727 . 1 1 115 115 ALA HB3 H 1 1.37 0.02 . 1 . . . . . . . . 6100 1 728 . 1 1 115 115 ALA N N 15 123.4 0.3 . 1 . . . . . . . . 6100 1 729 . 1 1 116 116 GLU CA C 13 57.2 0.3 . 1 . . . . . . . . 6100 1 730 . 1 1 116 116 GLU CB C 13 29.5 0.3 . 1 . . . . . . . . 6100 1 731 . 1 1 116 116 GLU CG C 13 35.9 0.3 . 1 . . . . . . . . 6100 1 732 . 1 1 116 116 GLU H H 1 8.51 0.02 . 1 . . . . . . . . 6100 1 733 . 1 1 116 116 GLU HA H 1 4.20 0.02 . 1 . . . . . . . . 6100 1 734 . 1 1 116 116 GLU HB2 H 1 2.01 0.02 . 1 . . . . . . . . 6100 1 735 . 1 1 116 116 GLU N N 15 118.9 0.3 . 1 . . . . . . . . 6100 1 736 . 1 1 117 117 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 737 . 1 1 117 117 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 6100 1 738 . 1 1 117 117 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 739 . 1 1 117 117 GLY N N 15 108.1 0.3 . 1 . . . . . . . . 6100 1 740 . 1 1 118 118 GLN CA C 13 55.4 0.3 . 1 . . . . . . . . 6100 1 741 . 1 1 118 118 GLN CB C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 742 . 1 1 118 118 GLN H H 1 7.97 0.02 . 1 . . . . . . . . 6100 1 743 . 1 1 118 118 GLN HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 744 . 1 1 118 118 GLN HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6100 1 745 . 1 1 118 118 GLN N N 15 118.8 0.3 . 1 . . . . . . . . 6100 1 746 . 1 1 119 119 ARG CA C 13 53.9 0.3 . 1 . . . . . . . . 6100 1 747 . 1 1 119 119 ARG CB C 13 32.3 0.3 . 1 . . . . . . . . 6100 1 748 . 1 1 119 119 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 6100 1 749 . 1 1 119 119 ARG HA H 1 4.56 0.02 . 1 . . . . . . . . 6100 1 750 . 1 1 119 119 ARG HB3 H 1 1.77 0.02 . 1 . . . . . . . . 6100 1 751 . 1 1 119 119 ARG N N 15 122.5 0.3 . 1 . . . . . . . . 6100 1 752 . 1 1 120 120 PRO CA C 13 63.0 0.3 . 1 . . . . . . . . 6100 1 753 . 1 1 120 120 PRO CB C 13 31.5 0.3 . 1 . . . . . . . . 6100 1 754 . 1 1 120 120 PRO CG C 13 27.3 0.3 . 1 . . . . . . . . 6100 1 755 . 1 1 120 120 PRO CD C 13 50.3 0.3 . 1 . . . . . . . . 6100 1 756 . 1 1 120 120 PRO HA H 1 4.30 0.02 . 1 . . . . . . . . 6100 1 757 . 1 1 120 120 PRO HB2 H 1 1.99 0.02 . 1 . . . . . . . . 6100 1 758 . 1 1 121 121 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 759 . 1 1 121 121 GLY H H 1 8.24 0.02 . 1 . . . . . . . . 6100 1 760 . 1 1 121 121 GLY HA2 H 1 3.85 0.02 . 1 . . . . . . . . 6100 1 761 . 1 1 121 121 GLY N N 15 108.4 0.3 . 1 . . . . . . . . 6100 1 762 . 1 1 122 122 PHE CA C 13 57.9 0.3 . 1 . . . . . . . . 6100 1 763 . 1 1 122 122 PHE CB C 13 39.5 0.3 . 1 . . . . . . . . 6100 1 764 . 1 1 122 122 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 6100 1 765 . 1 1 122 122 PHE HA H 1 4.36 0.02 . 1 . . . . . . . . 6100 1 766 . 1 1 122 122 PHE HB3 H 1 3.05 0.02 . 1 . . . . . . . . 6100 1 767 . 1 1 122 122 PHE N N 15 119.5 0.3 . 1 . . . . . . . . 6100 1 768 . 1 1 123 123 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 769 . 1 1 123 123 GLY H H 1 8.20 0.02 . 1 . . . . . . . . 6100 1 770 . 1 1 123 123 GLY HA2 H 1 3.72 0.02 . 1 . . . . . . . . 6100 1 771 . 1 1 123 123 GLY N N 15 109.3 0.3 . 1 . . . . . . . . 6100 1 772 . 1 1 124 124 TYR CA C 13 58.1 0.3 . 1 . . . . . . . . 6100 1 773 . 1 1 124 124 TYR CB C 13 38.4 0.3 . 1 . . . . . . . . 6100 1 774 . 1 1 124 124 TYR H H 1 7.91 0.02 . 1 . . . . . . . . 6100 1 775 . 1 1 124 124 TYR HA H 1 4.48 0.02 . 1 . . . . . . . . 6100 1 776 . 1 1 124 124 TYR HB3 H 1 2.97 0.02 . 1 . . . . . . . . 6100 1 777 . 1 1 124 124 TYR N N 15 119.8 0.3 . 1 . . . . . . . . 6100 1 778 . 1 1 125 125 GLY CA C 13 45.1 0.3 . 1 . . . . . . . . 6100 1 779 . 1 1 125 125 GLY H H 1 8.34 0.02 . 1 . . . . . . . . 6100 1 780 . 1 1 125 125 GLY HA2 H 1 3.88 0.02 . 1 . . . . . . . . 6100 1 781 . 1 1 125 125 GLY N N 15 110.4 0.3 . 1 . . . . . . . . 6100 1 782 . 1 1 126 126 GLY CA C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 783 . 1 1 126 126 GLY H H 1 7.84 0.02 . 1 . . . . . . . . 6100 1 784 . 1 1 126 126 GLY HA2 H 1 3.92 0.02 . 1 . . . . . . . . 6100 1 785 . 1 1 126 126 GLY N N 15 107.5 0.3 . 1 . . . . . . . . 6100 1 786 . 1 1 127 127 ARG CA C 13 55.4 0.3 . 1 . . . . . . . . 6100 1 787 . 1 1 127 127 ARG CB C 13 29.9 0.3 . 1 . . . . . . . . 6100 1 788 . 1 1 127 127 ARG CG C 13 25.4 0.3 . 1 . . . . . . . . 6100 1 789 . 1 1 127 127 ARG CD C 13 43.2 0.3 . 1 . . . . . . . . 6100 1 790 . 1 1 127 127 ARG H H 1 7.93 0.02 . 1 . . . . . . . . 6100 1 791 . 1 1 127 127 ARG HA H 1 4.39 0.02 . 1 . . . . . . . . 6100 1 792 . 1 1 127 127 ARG HB2 H 1 1.88 0.02 . 2 . . . . . . . . 6100 1 793 . 1 1 127 127 ARG HB3 H 1 1.82 0.02 . 2 . . . . . . . . 6100 1 794 . 1 1 127 127 ARG N N 15 118.8 0.3 . 1 . . . . . . . . 6100 1 795 . 1 1 128 128 ALA CA C 13 53.2 0.3 . 1 . . . . . . . . 6100 1 796 . 1 1 128 128 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 6100 1 797 . 1 1 128 128 ALA H H 1 8.36 0.02 . 1 . . . . . . . . 6100 1 798 . 1 1 128 128 ALA N N 15 124.3 0.3 . 1 . . . . . . . . 6100 1 799 . 1 1 129 129 SER CA C 13 58.8 0.3 . 1 . . . . . . . . 6100 1 800 . 1 1 129 129 SER CB C 13 63.4 0.3 . 1 . . . . . . . . 6100 1 801 . 1 1 129 129 SER H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 802 . 1 1 129 129 SER HA H 1 4.31 0.02 . 1 . . . . . . . . 6100 1 803 . 1 1 129 129 SER HB2 H 1 3.82 0.02 . 1 . . . . . . . . 6100 1 804 . 1 1 129 129 SER N N 15 112.5 0.3 . 1 . . . . . . . . 6100 1 805 . 1 1 130 130 ASP CA C 13 54.6 0.3 . 1 . . . . . . . . 6100 1 806 . 1 1 130 130 ASP CB C 13 40.8 0.3 . 1 . . . . . . . . 6100 1 807 . 1 1 130 130 ASP H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 808 . 1 1 130 130 ASP HA H 1 4.48 0.02 . 1 . . . . . . . . 6100 1 809 . 1 1 130 130 ASP HB2 H 1 2.69 0.02 . 1 . . . . . . . . 6100 1 810 . 1 1 130 130 ASP N N 15 121.5 0.3 . 1 . . . . . . . . 6100 1 811 . 1 1 131 131 TYR CA C 13 59.1 0.3 . 1 . . . . . . . . 6100 1 812 . 1 1 131 131 TYR CB C 13 37.9 0.3 . 1 . . . . . . . . 6100 1 813 . 1 1 131 131 TYR H H 1 7.97 0.02 . 1 . . . . . . . . 6100 1 814 . 1 1 131 131 TYR HA H 1 4.42 0.02 . 1 . . . . . . . . 6100 1 815 . 1 1 131 131 TYR HB3 H 1 3.02 0.02 . 1 . . . . . . . . 6100 1 816 . 1 1 131 131 TYR N N 15 120.2 0.3 . 1 . . . . . . . . 6100 1 817 . 1 1 132 132 LYS CA C 13 56.7 0.3 . 1 . . . . . . . . 6100 1 818 . 1 1 132 132 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 6100 1 819 . 1 1 132 132 LYS CG C 13 24.3 0.3 . 1 . . . . . . . . 6100 1 820 . 1 1 132 132 LYS CD C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 821 . 1 1 132 132 LYS CE C 13 41.7 0.3 . 1 . . . . . . . . 6100 1 822 . 1 1 132 132 LYS H H 1 7.98 0.02 . 1 . . . . . . . . 6100 1 823 . 1 1 132 132 LYS HA H 1 4.38 0.02 . 1 . . . . . . . . 6100 1 824 . 1 1 132 132 LYS HB3 H 1 1.75 0.02 . 1 . . . . . . . . 6100 1 825 . 1 1 132 132 LYS N N 15 120.4 0.3 . 1 . . . . . . . . 6100 1 826 . 1 1 133 133 SER CA C 13 58.2 0.3 . 1 . . . . . . . . 6100 1 827 . 1 1 133 133 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 6100 1 828 . 1 1 133 133 SER H H 1 8.20 0.02 . 1 . . . . . . . . 6100 1 829 . 1 1 133 133 SER HA H 1 4.35 0.02 . 1 . . . . . . . . 6100 1 830 . 1 1 133 133 SER HB2 H 1 3.86 0.02 . 1 . . . . . . . . 6100 1 831 . 1 1 133 133 SER N N 15 115.4 0.3 . 1 . . . . . . . . 6100 1 832 . 1 1 134 134 ALA CA C 13 53.0 0.3 . 1 . . . . . . . . 6100 1 833 . 1 1 134 134 ALA CB C 13 18.3 0.3 . 1 . . . . . . . . 6100 1 834 . 1 1 134 134 ALA H H 1 8.03 0.02 . 1 . . . . . . . . 6100 1 835 . 1 1 134 134 ALA HA H 1 4.51 0.02 . 1 . . . . . . . . 6100 1 836 . 1 1 134 134 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 6100 1 837 . 1 1 134 134 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 6100 1 838 . 1 1 134 134 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 6100 1 839 . 1 1 134 134 ALA N N 15 124.8 0.3 . 1 . . . . . . . . 6100 1 840 . 1 1 135 135 HIS CA C 13 56.7 0.3 . 1 . . . . . . . . 6100 1 841 . 1 1 135 135 HIS CB C 13 30.5 0.3 . 1 . . . . . . . . 6100 1 842 . 1 1 135 135 HIS H H 1 8.00 0.02 . 1 . . . . . . . . 6100 1 843 . 1 1 135 135 HIS HA H 1 4.54 0.02 . 1 . . . . . . . . 6100 1 844 . 1 1 135 135 HIS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 6100 1 845 . 1 1 135 135 HIS N N 15 117.0 0.3 . 1 . . . . . . . . 6100 1 846 . 1 1 136 136 LYS CA C 13 57.0 0.3 . 1 . . . . . . . . 6100 1 847 . 1 1 136 136 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 6100 1 848 . 1 1 136 136 LYS CG C 13 24.3 0.3 . 1 . . . . . . . . 6100 1 849 . 1 1 136 136 LYS CD C 13 29.2 0.3 . 1 . . . . . . . . 6100 1 850 . 1 1 136 136 LYS CE C 13 41.9 0.3 . 1 . . . . . . . . 6100 1 851 . 1 1 136 136 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 6100 1 852 . 1 1 136 136 LYS HA H 1 4.15 0.02 . 1 . . . . . . . . 6100 1 853 . 1 1 136 136 LYS HB2 H 1 2.12 0.02 . 2 . . . . . . . . 6100 1 854 . 1 1 136 136 LYS HB3 H 1 1.80 0.02 . 2 . . . . . . . . 6100 1 855 . 1 1 136 136 LYS N N 15 120.8 0.3 . 1 . . . . . . . . 6100 1 856 . 1 1 137 137 GLY CA C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 857 . 1 1 137 137 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 6100 1 858 . 1 1 137 137 GLY HA2 H 1 3.89 0.02 . 1 . . . . . . . . 6100 1 859 . 1 1 137 137 GLY N N 15 108.4 0.3 . 1 . . . . . . . . 6100 1 860 . 1 1 138 138 PHE CA C 13 58.0 0.3 . 1 . . . . . . . . 6100 1 861 . 1 1 138 138 PHE CB C 13 38.8 0.3 . 1 . . . . . . . . 6100 1 862 . 1 1 138 138 PHE H H 1 7.89 0.02 . 1 . . . . . . . . 6100 1 863 . 1 1 138 138 PHE HA H 1 4.15 0.02 . 1 . . . . . . . . 6100 1 864 . 1 1 138 138 PHE HB3 H 1 2.98 0.02 . 1 . . . . . . . . 6100 1 865 . 1 1 138 138 PHE N N 15 119.7 0.3 . 1 . . . . . . . . 6100 1 866 . 1 1 139 139 LYS CA C 13 56.8 0.3 . 1 . . . . . . . . 6100 1 867 . 1 1 139 139 LYS CB C 13 32.5 0.3 . 1 . . . . . . . . 6100 1 868 . 1 1 139 139 LYS CG C 13 24.4 0.3 . 1 . . . . . . . . 6100 1 869 . 1 1 139 139 LYS CD C 13 28.9 0.3 . 1 . . . . . . . . 6100 1 870 . 1 1 139 139 LYS CE C 13 41.9 0.3 . 1 . . . . . . . . 6100 1 871 . 1 1 139 139 LYS H H 1 8.33 0.02 . 1 . . . . . . . . 6100 1 872 . 1 1 139 139 LYS HA H 1 4.20 0.02 . 1 . . . . . . . . 6100 1 873 . 1 1 139 139 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 6100 1 874 . 1 1 139 139 LYS N N 15 122.5 0.3 . 1 . . . . . . . . 6100 1 875 . 1 1 140 140 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 6100 1 876 . 1 1 140 140 GLY H H 1 7.74 0.02 . 1 . . . . . . . . 6100 1 877 . 1 1 140 140 GLY HA2 H 1 3.84 0.02 . 1 . . . . . . . . 6100 1 878 . 1 1 140 140 GLY N N 15 107.4 0.3 . 1 . . . . . . . . 6100 1 879 . 1 1 141 141 ALA CA C 13 52.9 0.3 . 1 . . . . . . . . 6100 1 880 . 1 1 141 141 ALA CB C 13 18.4 0.3 . 1 . . . . . . . . 6100 1 881 . 1 1 141 141 ALA H H 1 7.93 0.02 . 1 . . . . . . . . 6100 1 882 . 1 1 141 141 ALA HA H 1 4.45 0.02 . 1 . . . . . . . . 6100 1 883 . 1 1 141 141 ALA HB1 H 1 1.32 0.02 . 1 . . . . . . . . 6100 1 884 . 1 1 141 141 ALA HB2 H 1 1.32 0.02 . 1 . . . . . . . . 6100 1 885 . 1 1 141 141 ALA HB3 H 1 1.32 0.02 . 1 . . . . . . . . 6100 1 886 . 1 1 141 141 ALA N N 15 123.2 0.3 . 1 . . . . . . . . 6100 1 887 . 1 1 142 142 TYR CA C 13 58.6 0.3 . 1 . . . . . . . . 6100 1 888 . 1 1 142 142 TYR CB C 13 38.3 0.3 . 1 . . . . . . . . 6100 1 889 . 1 1 142 142 TYR H H 1 8.04 0.02 . 1 . . . . . . . . 6100 1 890 . 1 1 142 142 TYR HA H 1 4.37 0.02 . 1 . . . . . . . . 6100 1 891 . 1 1 142 142 TYR HB3 H 1 2.99 0.02 . 1 . . . . . . . . 6100 1 892 . 1 1 142 142 TYR N N 15 118.3 0.3 . 1 . . . . . . . . 6100 1 893 . 1 1 143 143 ASP CA C 13 54.1 0.3 . 1 . . . . . . . . 6100 1 894 . 1 1 143 143 ASP CB C 13 40.5 0.3 . 1 . . . . . . . . 6100 1 895 . 1 1 143 143 ASP H H 1 8.21 0.02 . 1 . . . . . . . . 6100 1 896 . 1 1 143 143 ASP HA H 1 4.56 0.02 . 1 . . . . . . . . 6100 1 897 . 1 1 143 143 ASP HB2 H 1 2.67 0.02 . 1 . . . . . . . . 6100 1 898 . 1 1 143 143 ASP N N 15 121.4 0.3 . 1 . . . . . . . . 6100 1 899 . 1 1 144 144 ALA CA C 13 54.4 0.3 . 1 . . . . . . . . 6100 1 900 . 1 1 144 144 ALA CB C 13 17.9 0.3 . 1 . . . . . . . . 6100 1 901 . 1 1 144 144 ALA H H 1 8.17 0.02 . 1 . . . . . . . . 6100 1 902 . 1 1 144 144 ALA HA H 1 4.09 0.02 . 1 . . . . . . . . 6100 1 903 . 1 1 144 144 ALA HB1 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 904 . 1 1 144 144 ALA HB2 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 905 . 1 1 144 144 ALA HB3 H 1 1.42 0.02 . 1 . . . . . . . . 6100 1 906 . 1 1 144 144 ALA N N 15 125.2 0.3 . 1 . . . . . . . . 6100 1 907 . 1 1 145 145 GLN CA C 13 58.3 0.3 . 1 . . . . . . . . 6100 1 908 . 1 1 145 145 GLN CB C 13 28.2 0.3 . 1 . . . . . . . . 6100 1 909 . 1 1 145 145 GLN CG C 13 33.8 0.3 . 1 . . . . . . . . 6100 1 910 . 1 1 145 145 GLN H H 1 8.33 0.02 . 1 . . . . . . . . 6100 1 911 . 1 1 145 145 GLN HA H 1 4.04 0.02 . 1 . . . . . . . . 6100 1 912 . 1 1 145 145 GLN HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6100 1 913 . 1 1 145 145 GLN N N 15 116.6 0.3 . 1 . . . . . . . . 6100 1 914 . 1 1 146 146 GLY CA C 13 46.3 0.3 . 1 . . . . . . . . 6100 1 915 . 1 1 146 146 GLY H H 1 8.32 0.02 . 1 . . . . . . . . 6100 1 916 . 1 1 146 146 GLY HA2 H 1 3.91 0.02 . 1 . . . . . . . . 6100 1 917 . 1 1 146 146 GLY N N 15 108.2 0.3 . 1 . . . . . . . . 6100 1 918 . 1 1 147 147 THR CA C 13 66.0 0.3 . 1 . . . . . . . . 6100 1 919 . 1 1 147 147 THR CB C 13 68.7 0.3 . 1 . . . . . . . . 6100 1 920 . 1 1 147 147 THR CG2 C 13 21.3 0.3 . 1 . . . . . . . . 6100 1 921 . 1 1 147 147 THR H H 1 7.96 0.02 . 1 . . . . . . . . 6100 1 922 . 1 1 147 147 THR HA H 1 4.70 0.02 . 1 . . . . . . . . 6100 1 923 . 1 1 147 147 THR HB H 1 4.23 0.02 . 1 . . . . . . . . 6100 1 924 . 1 1 147 147 THR N N 15 115.2 0.3 . 1 . . . . . . . . 6100 1 925 . 1 1 148 148 LEU CA C 13 57.6 0.3 . 1 . . . . . . . . 6100 1 926 . 1 1 148 148 LEU CB C 13 41.2 0.3 . 1 . . . . . . . . 6100 1 927 . 1 1 148 148 LEU CG C 13 26.8 0.3 . 1 . . . . . . . . 6100 1 928 . 1 1 148 148 LEU CD1 C 13 24.1 0.3 . 1 . . . . . . . . 6100 1 929 . 1 1 148 148 LEU CD2 C 13 22.7 0.3 . 1 . . . . . . . . 6100 1 930 . 1 1 148 148 LEU H H 1 8.37 0.02 . 1 . . . . . . . . 6100 1 931 . 1 1 148 148 LEU HA H 1 4.00 0.02 . 1 . . . . . . . . 6100 1 932 . 1 1 148 148 LEU HB2 H 1 1.74 0.02 . 2 . . . . . . . . 6100 1 933 . 1 1 148 148 LEU HB3 H 1 1.45 0.02 . 2 . . . . . . . . 6100 1 934 . 1 1 148 148 LEU N N 15 121.1 0.3 . 1 . . . . . . . . 6100 1 935 . 1 1 149 149 SER CA C 13 61.3 0.3 . 1 . . . . . . . . 6100 1 936 . 1 1 149 149 SER CB C 13 62.9 0.3 . 1 . . . . . . . . 6100 1 937 . 1 1 149 149 SER H H 1 8.02 0.02 . 1 . . . . . . . . 6100 1 938 . 1 1 149 149 SER HA H 1 4.18 0.02 . 1 . . . . . . . . 6100 1 939 . 1 1 149 149 SER HB2 H 1 3.95 0.02 . 1 . . . . . . . . 6100 1 940 . 1 1 149 149 SER N N 15 112.0 0.3 . 1 . . . . . . . . 6100 1 941 . 1 1 150 150 LYS CA C 13 59.0 0.3 . 1 . . . . . . . . 6100 1 942 . 1 1 150 150 LYS CB C 13 32.1 0.3 . 1 . . . . . . . . 6100 1 943 . 1 1 150 150 LYS CG C 13 25.0 0.3 . 1 . . . . . . . . 6100 1 944 . 1 1 150 150 LYS CD C 13 29.9 0.3 . 1 . . . . . . . . 6100 1 945 . 1 1 150 150 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 946 . 1 1 150 150 LYS H H 1 7.55 0.02 . 1 . . . . . . . . 6100 1 947 . 1 1 150 150 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 6100 1 948 . 1 1 150 150 LYS HB3 H 1 1.97 0.02 . 1 . . . . . . . . 6100 1 949 . 1 1 150 150 LYS N N 15 120.6 0.3 . 1 . . . . . . . . 6100 1 950 . 1 1 151 151 ILE CA C 13 64.2 0.3 . 1 . . . . . . . . 6100 1 951 . 1 1 151 151 ILE CB C 13 37.9 0.3 . 1 . . . . . . . . 6100 1 952 . 1 1 151 151 ILE CG1 C 13 28.1 0.3 . 1 . . . . . . . . 6100 1 953 . 1 1 151 151 ILE CG2 C 13 16.4 0.3 . 1 . . . . . . . . 6100 1 954 . 1 1 151 151 ILE CD1 C 13 12.4 0.3 . 1 . . . . . . . . 6100 1 955 . 1 1 151 151 ILE H H 1 7.87 0.02 . 1 . . . . . . . . 6100 1 956 . 1 1 151 151 ILE HA H 1 3.74 0.02 . 1 . . . . . . . . 6100 1 957 . 1 1 151 151 ILE HB H 1 1.81 0.02 . 1 . . . . . . . . 6100 1 958 . 1 1 151 151 ILE N N 15 118.7 0.3 . 1 . . . . . . . . 6100 1 959 . 1 1 152 152 PHE CA C 13 59.1 0.3 . 1 . . . . . . . . 6100 1 960 . 1 1 152 152 PHE CB C 13 38.2 0.3 . 1 . . . . . . . . 6100 1 961 . 1 1 152 152 PHE H H 1 8.24 0.02 . 1 . . . . . . . . 6100 1 962 . 1 1 152 152 PHE HA H 1 4.44 0.02 . 1 . . . . . . . . 6100 1 963 . 1 1 152 152 PHE HB3 H 1 3.08 0.02 . 1 . . . . . . . . 6100 1 964 . 1 1 152 152 PHE N N 15 118.6 0.3 . 1 . . . . . . . . 6100 1 965 . 1 1 153 153 LYS CA C 13 57.4 0.3 . 1 . . . . . . . . 6100 1 966 . 1 1 153 153 LYS CB C 13 32.2 0.3 . 1 . . . . . . . . 6100 1 967 . 1 1 153 153 LYS CG C 13 25.0 0.3 . 1 . . . . . . . . 6100 1 968 . 1 1 153 153 LYS CD C 13 29.3 0.3 . 1 . . . . . . . . 6100 1 969 . 1 1 153 153 LYS CE C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 970 . 1 1 153 153 LYS H H 1 8.01 0.02 . 1 . . . . . . . . 6100 1 971 . 1 1 153 153 LYS HA H 1 4.22 0.02 . 1 . . . . . . . . 6100 1 972 . 1 1 153 153 LYS HB3 H 1 1.90 0.02 . 1 . . . . . . . . 6100 1 973 . 1 1 153 153 LYS N N 15 120.1 0.3 . 1 . . . . . . . . 6100 1 974 . 1 1 154 154 LEU CA C 13 56.0 0.3 . 1 . . . . . . . . 6100 1 975 . 1 1 154 154 LEU CB C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 976 . 1 1 154 154 LEU CG C 13 26.7 0.3 . 1 . . . . . . . . 6100 1 977 . 1 1 154 154 LEU CD1 C 13 24.4 0.3 . 1 . . . . . . . . 6100 1 978 . 1 1 154 154 LEU CD2 C 13 22.7 0.3 . 1 . . . . . . . . 6100 1 979 . 1 1 154 154 LEU H H 1 8.09 0.02 . 1 . . . . . . . . 6100 1 980 . 1 1 154 154 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 6100 1 981 . 1 1 154 154 LEU HB2 H 1 1.81 0.02 . 2 . . . . . . . . 6100 1 982 . 1 1 154 154 LEU HB3 H 1 1.59 0.02 . 2 . . . . . . . . 6100 1 983 . 1 1 154 154 LEU HG H 1 1.60 0.02 . 1 . . . . . . . . 6100 1 984 . 1 1 154 154 LEU N N 15 119.8 0.3 . 1 . . . . . . . . 6100 1 985 . 1 1 155 155 GLY CA C 13 45.3 0.3 . 1 . . . . . . . . 6100 1 986 . 1 1 155 155 GLY H H 1 8.18 0.02 . 1 . . . . . . . . 6100 1 987 . 1 1 155 155 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 6100 1 988 . 1 1 155 155 GLY N N 15 106.8 0.3 . 1 . . . . . . . . 6100 1 989 . 1 1 156 156 GLY CA C 13 45.2 0.3 . 1 . . . . . . . . 6100 1 990 . 1 1 156 156 GLY H H 1 8.11 0.02 . 1 . . . . . . . . 6100 1 991 . 1 1 156 156 GLY HA2 H 1 3.95 0.02 . 1 . . . . . . . . 6100 1 992 . 1 1 156 156 GLY N N 15 107.5 0.3 . 1 . . . . . . . . 6100 1 993 . 1 1 157 157 ARG CA C 13 57.7 0.3 . 1 . . . . . . . . 6100 1 994 . 1 1 157 157 ARG CB C 13 30.5 0.3 . 1 . . . . . . . . 6100 1 995 . 1 1 157 157 ARG CD C 13 44.9 0.3 . 1 . . . . . . . . 6100 1 996 . 1 1 157 157 ARG H H 1 8.07 0.02 . 1 . . . . . . . . 6100 1 997 . 1 1 157 157 ARG HA H 1 4.45 0.02 . 1 . . . . . . . . 6100 1 998 . 1 1 157 157 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6100 1 999 . 1 1 157 157 ARG N N 15 119.2 0.3 . 1 . . . . . . . . 6100 1 1000 . 1 1 158 158 ASP CA C 13 55.3 0.3 . 1 . . . . . . . . 6100 1 1001 . 1 1 158 158 ASP CB C 13 39.4 0.3 . 1 . . . . . . . . 6100 1 1002 . 1 1 158 158 ASP H H 1 7.98 0.02 . 1 . . . . . . . . 6100 1 1003 . 1 1 158 158 ASP HA H 1 4.28 0.02 . 1 . . . . . . . . 6100 1 1004 . 1 1 158 158 ASP HB2 H 1 3.03 0.02 . 1 . . . . . . . . 6100 1 1005 . 1 1 158 158 ASP N N 15 118.9 0.3 . 1 . . . . . . . . 6100 1 1006 . 1 1 159 159 SER CA C 13 58.0 0.3 . 1 . . . . . . . . 6100 1 1007 . 1 1 159 159 SER CB C 13 63.5 0.3 . 1 . . . . . . . . 6100 1 1008 . 1 1 159 159 SER H H 1 7.85 0.02 . 1 . . . . . . . . 6100 1 1009 . 1 1 159 159 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 6100 1 1010 . 1 1 159 159 SER HB2 H 1 4.17 0.02 . 1 . . . . . . . . 6100 1 1011 . 1 1 159 159 SER N N 15 115.7 0.3 . 1 . . . . . . . . 6100 1 1012 . 1 1 160 160 ARG CA C 13 58.8 0.3 . 1 . . . . . . . . 6100 1 1013 . 1 1 160 160 ARG CB C 13 30.5 0.3 . 1 . . . . . . . . 6100 1 1014 . 1 1 160 160 ARG CG C 13 24.9 0.3 . 1 . . . . . . . . 6100 1 1015 . 1 1 160 160 ARG CD C 13 45.0 0.3 . 1 . . . . . . . . 6100 1 1016 . 1 1 160 160 ARG H H 1 8.05 0.02 . 1 . . . . . . . . 6100 1 1017 . 1 1 160 160 ARG HA H 1 4.10 0.02 . 1 . . . . . . . . 6100 1 1018 . 1 1 160 160 ARG HB3 H 1 1.80 0.02 . 1 . . . . . . . . 6100 1 1019 . 1 1 160 160 ARG N N 15 118.6 0.3 . 1 . . . . . . . . 6100 1 1020 . 1 1 161 161 SER CA C 13 58.9 0.3 . 1 . . . . . . . . 6100 1 1021 . 1 1 161 161 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 6100 1 1022 . 1 1 161 161 SER H H 1 7.96 0.02 . 1 . . . . . . . . 6100 1 1023 . 1 1 161 161 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 6100 1 1024 . 1 1 161 161 SER HB2 H 1 3.89 0.02 . 1 . . . . . . . . 6100 1 1025 . 1 1 161 161 SER N N 15 114.6 0.3 . 1 . . . . . . . . 6100 1 1026 . 1 1 162 162 GLY CA C 13 45.3 0.3 . 1 . . . . . . . . 6100 1 1027 . 1 1 162 162 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 6100 1 1028 . 1 1 162 162 GLY HA2 H 1 3.94 0.02 . 1 . . . . . . . . 6100 1 1029 . 1 1 162 162 GLY N N 15 109.3 0.3 . 1 . . . . . . . . 6100 1 1030 . 1 1 163 163 SER CA C 13 61.9 0.3 . 1 . . . . . . . . 6100 1 1031 . 1 1 163 163 SER CB C 13 63.8 0.3 . 1 . . . . . . . . 6100 1 1032 . 1 1 163 163 SER H H 1 8.00 0.02 . 1 . . . . . . . . 6100 1 1033 . 1 1 163 163 SER HA H 1 3.98 0.02 . 1 . . . . . . . . 6100 1 1034 . 1 1 163 163 SER N N 15 115.4 0.3 . 1 . . . . . . . . 6100 1 1035 . 1 1 164 164 PRO CA C 13 63.1 0.3 . 1 . . . . . . . . 6100 1 1036 . 1 1 164 164 PRO CB C 13 31.4 0.3 . 1 . . . . . . . . 6100 1 1037 . 1 1 164 164 PRO CG C 13 27.2 0.3 . 1 . . . . . . . . 6100 1 1038 . 1 1 164 164 PRO CD C 13 50.2 0.3 . 1 . . . . . . . . 6100 1 1039 . 1 1 164 164 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 6100 1 1040 . 1 1 164 164 PRO HB2 H 1 1.83 0.02 . 1 . . . . . . . . 6100 1 1041 . 1 1 165 165 MET CA C 13 55.8 0.3 . 1 . . . . . . . . 6100 1 1042 . 1 1 165 165 MET CB C 13 29.4 0.3 . 1 . . . . . . . . 6100 1 1043 . 1 1 165 165 MET CG C 13 31.4 0.3 . 1 . . . . . . . . 6100 1 1044 . 1 1 165 165 MET H H 1 8.33 0.02 . 1 . . . . . . . . 6100 1 1045 . 1 1 165 165 MET HA H 1 4.30 0.02 . 1 . . . . . . . . 6100 1 1046 . 1 1 165 165 MET HB2 H 1 1.96 0.02 . 1 . . . . . . . . 6100 1 1047 . 1 1 165 165 MET N N 15 119.4 0.3 . 1 . . . . . . . . 6100 1 1048 . 1 1 166 166 ALA CA C 13 53.5 0.3 . 1 . . . . . . . . 6100 1 1049 . 1 1 166 166 ALA CB C 13 18.1 0.3 . 1 . . . . . . . . 6100 1 1050 . 1 1 166 166 ALA H H 1 8.08 0.02 . 1 . . . . . . . . 6100 1 1051 . 1 1 166 166 ALA HA H 1 4.18 0.02 . 1 . . . . . . . . 6100 1 1052 . 1 1 166 166 ALA HB1 H 1 1.43 0.02 . 1 . . . . . . . . 6100 1 1053 . 1 1 166 166 ALA HB2 H 1 1.43 0.02 . 1 . . . . . . . . 6100 1 1054 . 1 1 166 166 ALA HB3 H 1 1.43 0.02 . 1 . . . . . . . . 6100 1 1055 . 1 1 166 166 ALA N N 15 122.3 0.3 . 1 . . . . . . . . 6100 1 1056 . 1 1 167 167 ARG CA C 13 56.4 0.3 . 1 . . . . . . . . 6100 1 1057 . 1 1 167 167 ARG CB C 13 30.1 0.3 . 1 . . . . . . . . 6100 1 1058 . 1 1 167 167 ARG CG C 13 29.0 0.3 . 1 . . . . . . . . 6100 1 1059 . 1 1 167 167 ARG CD C 13 42.0 0.3 . 1 . . . . . . . . 6100 1 1060 . 1 1 167 167 ARG H H 1 7.95 0.02 . 1 . . . . . . . . 6100 1 1061 . 1 1 167 167 ARG HA H 1 4.15 0.02 . 1 . . . . . . . . 6100 1 1062 . 1 1 167 167 ARG HB2 H 1 1.76 0.02 . 2 . . . . . . . . 6100 1 1063 . 1 1 167 167 ARG HB3 H 1 1.54 0.02 . 2 . . . . . . . . 6100 1 1064 . 1 1 167 167 ARG N N 15 117.3 0.3 . 1 . . . . . . . . 6100 1 1065 . 1 1 168 168 ARG CA C 13 56.4 0.3 . 1 . . . . . . . . 6100 1 1066 . 1 1 168 168 ARG CB C 13 30.4 0.3 . 1 . . . . . . . . 6100 1 1067 . 1 1 168 168 ARG CG C 13 26.1 0.3 . 1 . . . . . . . . 6100 1 1068 . 1 1 168 168 ARG CD C 13 43.0 0.3 . 1 . . . . . . . . 6100 1 1069 . 1 1 168 168 ARG H H 1 8.25 0.02 . 1 . . . . . . . . 6100 1 1070 . 1 1 168 168 ARG HA H 1 4.26 0.02 . 1 . . . . . . . . 6100 1 1071 . 1 1 168 168 ARG HB3 H 1 1.88 0.02 . 1 . . . . . . . . 6100 1 1072 . 1 1 168 168 ARG N N 15 122.5 0.3 . 1 . . . . . . . . 6100 1 1073 . 1 1 169 169 LEU CA C 13 55.9 0.3 . 1 . . . . . . . . 6100 1 1074 . 1 1 169 169 LEU CB C 13 41.7 0.3 . 1 . . . . . . . . 6100 1 1075 . 1 1 169 169 LEU CG C 13 26.9 0.3 . 1 . . . . . . . . 6100 1 1076 . 1 1 169 169 LEU CD1 C 13 24.5 0.3 . 1 . . . . . . . . 6100 1 1077 . 1 1 169 169 LEU CD2 C 13 22.9 0.3 . 1 . . . . . . . . 6100 1 1078 . 1 1 169 169 LEU H H 1 8.10 0.02 . 1 . . . . . . . . 6100 1 1079 . 1 1 169 169 LEU HA H 1 4.22 0.02 . 1 . . . . . . . . 6100 1 1080 . 1 1 169 169 LEU HB2 H 1 1.69 0.02 . 2 . . . . . . . . 6100 1 1081 . 1 1 169 169 LEU HB3 H 1 1.55 0.02 . 2 . . . . . . . . 6100 1 1082 . 1 1 169 169 LEU N N 15 121.3 0.3 . 1 . . . . . . . . 6100 1 1083 . 1 1 170 170 GLU CA C 13 57.4 0.3 . 1 . . . . . . . . 6100 1 1084 . 1 1 170 170 GLU CB C 13 29.7 0.3 . 1 . . . . . . . . 6100 1 1085 . 1 1 170 170 GLU CG C 13 35.9 0.3 . 1 . . . . . . . . 6100 1 1086 . 1 1 170 170 GLU H H 1 8.27 0.02 . 1 . . . . . . . . 6100 1 1087 . 1 1 170 170 GLU HA H 1 4.14 0.02 . 1 . . . . . . . . 6100 1 1088 . 1 1 170 170 GLU HB2 H 1 1.96 0.02 . 1 . . . . . . . . 6100 1 1089 . 1 1 170 170 GLU N N 15 119.9 0.3 . 1 . . . . . . . . 6100 1 1090 . 1 1 171 171 HIS CA C 13 58.7 0.3 . 1 . . . . . . . . 6100 1 1091 . 1 1 171 171 HIS CB C 13 30.6 0.3 . 1 . . . . . . . . 6100 1 1092 . 1 1 171 171 HIS H H 1 8.04 0.02 . 1 . . . . . . . . 6100 1 1093 . 1 1 171 171 HIS HA H 1 4.41 0.02 . 1 . . . . . . . . 6100 1 1094 . 1 1 171 171 HIS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 6100 1 1095 . 1 1 171 171 HIS N N 15 118.5 0.3 . 1 . . . . . . . . 6100 1 1096 . 1 1 172 172 HIS CA C 13 56.1 0.3 . 1 . . . . . . . . 6100 1 1097 . 1 1 172 172 HIS CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 1098 . 1 1 172 172 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 6100 1 1099 . 1 1 172 172 HIS HB3 H 1 3.02 0.02 . 1 . . . . . . . . 6100 1 1100 . 1 1 173 173 HIS CA C 13 57.3 0.3 . 1 . . . . . . . . 6100 1 1101 . 1 1 173 173 HIS CB C 13 30.3 0.3 . 1 . . . . . . . . 6100 1 1102 . 1 1 173 173 HIS H H 1 7.82 0.02 . 1 . . . . . . . . 6100 1 1103 . 1 1 173 173 HIS HA H 1 4.38 0.02 . 1 . . . . . . . . 6100 1 1104 . 1 1 173 173 HIS HB2 H 1 3.19 0.02 . 2 . . . . . . . . 6100 1 1105 . 1 1 173 173 HIS HB3 H 1 3.02 0.02 . 2 . . . . . . . . 6100 1 1106 . 1 1 173 173 HIS N N 15 124.7 0.3 . 1 . . . . . . . . 6100 1 stop_ save_