data_18505 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18505 _Entry.Title ; Backbone and side chain assignments of MHV N protein NTD (aa60-197) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-06-06 _Entry.Accession_date 2012-06-06 _Entry.Last_release_date 2012-07-10 _Entry.Original_release_date 2012-07-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Sarah Keane . C. . 18505 2 David Giedroc . P. . 18505 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Giedroc group, Indiana University' . 18505 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18505 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 422 18505 '15N chemical shifts' 122 18505 '1H chemical shifts' 694 18505 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-07-10 2012-06-06 original author . 18505 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 3HD4 'Crystal structure of the protein assigned in this entry.' 18505 stop_ save_ ############### # Citations # ############### save_citation1 _Citation.Sf_category citations _Citation.Sf_framecode citation1 _Citation.Entry_ID 18505 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Backbone and side chain assignments of MHV N NTD' _Citation.Status 'in preparation' _Citation.Type 'BMRB only' _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . 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 Sarah Keane . C. . 18505 1 2 David Giedroc . P. . 18505 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18505 _Assembly.ID 1 _Assembly.Name 'MHV N NTD' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NTD 1 $MHV_N_NTD A . yes native no no . . . 18505 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MHV_N_NTD _Entity.Sf_category entity _Entity.Sf_framecode MHV_N_NTD _Entity.Entry_ID 18505 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MHV_N_NTD _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 ; GSVVPHYSWFSGITQFQKGK EFQFAEGQGVPIANGIPASE QKGYWYRHNRRSFKTPDGQQ KQLLPRWYFYYLGTGPHAGA SYGDSIEGVFWVANSQADTN TRSDIVERDPSSHEAIPTRF APGTVLPQGFYVEGSGRS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; 60,G 61,S 62,V ... ... 195,G 196,R 197,S ; _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 138 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3HD4 . "Mhv Nucleocapsid Protein Ntd" . . . . . 100.00 139 100.00 100.00 2.51e-95 . . . . 18505 1 2 no EMBL CAA25198 . "nucleocapsid protein [Murine hepatitis virus]" . . . . . 100.00 454 100.00 100.00 5.22e-95 . . . . 18505 1 3 no GB AAA46444 . "hepatitis virus nucleocapsid (N-MHV3) ORF 1 [Murine hepatitis virus]" . . . . . 100.00 454 100.00 100.00 7.30e-95 . . . . 18505 1 4 no GB AAA46447 . "hepatitis virus nucleocapsid (N-MHVA59) ORF 1 [Murine hepatitis virus]" . . . . . 100.00 454 100.00 100.00 5.94e-95 . . . . 18505 1 5 no GB AAA46462 . "nucleocapsid protein [Murine hepatitis virus]" . . . . . 100.00 425 100.00 100.00 4.50e-95 . . . . 18505 1 6 no GB AAA74734 . "nucleoprotein [Murine hepatitis virus]" . . . . . 100.00 455 98.55 100.00 4.32e-94 . . . . 18505 1 7 no GB AAA76578 . "nucleoprotein [Murine hepatitis virus]" . . . . . 100.00 451 97.10 100.00 2.30e-93 . . . . 18505 1 8 no REF NP_045302 . "nucleocapsid protein [Murine hepatitis virus strain A59]" . . . . . 100.00 454 100.00 100.00 5.94e-95 . . . . 18505 1 9 no SP P03416 . "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" . . . . . 100.00 454 100.00 100.00 5.94e-95 . . . . 18505 1 10 no SP P18447 . "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" . . . . . 100.00 454 100.00 100.00 7.30e-95 . . . . 18505 1 11 no SP Q83360 . "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" . . . . . 100.00 455 98.55 100.00 4.32e-94 . . . . 18505 1 12 no SP Q9WCD0 . "RecName: Full=Nucleoprotein; AltName: Full=Nucleocapsid protein; Short=NC; Short=Protein N" . . . . . 100.00 454 97.10 99.28 1.11e-92 . . . . 18505 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 60 GLY . 18505 1 2 61 SER . 18505 1 3 62 VAL . 18505 1 4 63 VAL . 18505 1 5 64 PRO . 18505 1 6 65 HIS . 18505 1 7 66 TYR . 18505 1 8 67 SER . 18505 1 9 68 TRP . 18505 1 10 69 PHE . 18505 1 11 70 SER . 18505 1 12 71 GLY . 18505 1 13 72 ILE . 18505 1 14 73 THR . 18505 1 15 74 GLN . 18505 1 16 75 PHE . 18505 1 17 76 GLN . 18505 1 18 77 LYS . 18505 1 19 78 GLY . 18505 1 20 79 LYS . 18505 1 21 80 GLU . 18505 1 22 81 PHE . 18505 1 23 82 GLN . 18505 1 24 83 PHE . 18505 1 25 84 ALA . 18505 1 26 85 GLU . 18505 1 27 86 GLY . 18505 1 28 87 GLN . 18505 1 29 88 GLY . 18505 1 30 89 VAL . 18505 1 31 90 PRO . 18505 1 32 91 ILE . 18505 1 33 92 ALA . 18505 1 34 93 ASN . 18505 1 35 94 GLY . 18505 1 36 95 ILE . 18505 1 37 96 PRO . 18505 1 38 97 ALA . 18505 1 39 98 SER . 18505 1 40 99 GLU . 18505 1 41 100 GLN . 18505 1 42 101 LYS . 18505 1 43 102 GLY . 18505 1 44 103 TYR . 18505 1 45 104 TRP . 18505 1 46 105 TYR . 18505 1 47 106 ARG . 18505 1 48 107 HIS . 18505 1 49 108 ASN . 18505 1 50 109 ARG . 18505 1 51 110 ARG . 18505 1 52 111 SER . 18505 1 53 112 PHE . 18505 1 54 113 LYS . 18505 1 55 114 THR . 18505 1 56 115 PRO . 18505 1 57 116 ASP . 18505 1 58 117 GLY . 18505 1 59 118 GLN . 18505 1 60 119 GLN . 18505 1 61 120 LYS . 18505 1 62 121 GLN . 18505 1 63 122 LEU . 18505 1 64 123 LEU . 18505 1 65 124 PRO . 18505 1 66 125 ARG . 18505 1 67 126 TRP . 18505 1 68 127 TYR . 18505 1 69 128 PHE . 18505 1 70 129 TYR . 18505 1 71 130 TYR . 18505 1 72 131 LEU . 18505 1 73 132 GLY . 18505 1 74 133 THR . 18505 1 75 134 GLY . 18505 1 76 135 PRO . 18505 1 77 136 HIS . 18505 1 78 137 ALA . 18505 1 79 138 GLY . 18505 1 80 139 ALA . 18505 1 81 140 SER . 18505 1 82 141 TYR . 18505 1 83 142 GLY . 18505 1 84 143 ASP . 18505 1 85 144 SER . 18505 1 86 145 ILE . 18505 1 87 146 GLU . 18505 1 88 147 GLY . 18505 1 89 148 VAL . 18505 1 90 149 PHE . 18505 1 91 150 TRP . 18505 1 92 151 VAL . 18505 1 93 152 ALA . 18505 1 94 153 ASN . 18505 1 95 154 SER . 18505 1 96 155 GLN . 18505 1 97 156 ALA . 18505 1 98 157 ASP . 18505 1 99 158 THR . 18505 1 100 159 ASN . 18505 1 101 160 THR . 18505 1 102 161 ARG . 18505 1 103 162 SER . 18505 1 104 163 ASP . 18505 1 105 164 ILE . 18505 1 106 165 VAL . 18505 1 107 166 GLU . 18505 1 108 167 ARG . 18505 1 109 168 ASP . 18505 1 110 169 PRO . 18505 1 111 170 SER . 18505 1 112 171 SER . 18505 1 113 172 HIS . 18505 1 114 173 GLU . 18505 1 115 174 ALA . 18505 1 116 175 ILE . 18505 1 117 176 PRO . 18505 1 118 177 THR . 18505 1 119 178 ARG . 18505 1 120 179 PHE . 18505 1 121 180 ALA . 18505 1 122 181 PRO . 18505 1 123 182 GLY . 18505 1 124 183 THR . 18505 1 125 184 VAL . 18505 1 126 185 LEU . 18505 1 127 186 PRO . 18505 1 128 187 GLN . 18505 1 129 188 GLY . 18505 1 130 189 PHE . 18505 1 131 190 TYR . 18505 1 132 191 VAL . 18505 1 133 192 GLU . 18505 1 134 193 GLY . 18505 1 135 194 SER . 18505 1 136 195 GLY . 18505 1 137 196 ARG . 18505 1 138 197 SER . 18505 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18505 1 . SER 2 2 18505 1 . VAL 3 3 18505 1 . VAL 4 4 18505 1 . PRO 5 5 18505 1 . HIS 6 6 18505 1 . TYR 7 7 18505 1 . SER 8 8 18505 1 . TRP 9 9 18505 1 . PHE 10 10 18505 1 . SER 11 11 18505 1 . GLY 12 12 18505 1 . ILE 13 13 18505 1 . THR 14 14 18505 1 . GLN 15 15 18505 1 . PHE 16 16 18505 1 . GLN 17 17 18505 1 . LYS 18 18 18505 1 . GLY 19 19 18505 1 . LYS 20 20 18505 1 . GLU 21 21 18505 1 . PHE 22 22 18505 1 . GLN 23 23 18505 1 . PHE 24 24 18505 1 . ALA 25 25 18505 1 . GLU 26 26 18505 1 . GLY 27 27 18505 1 . GLN 28 28 18505 1 . GLY 29 29 18505 1 . VAL 30 30 18505 1 . PRO 31 31 18505 1 . ILE 32 32 18505 1 . ALA 33 33 18505 1 . ASN 34 34 18505 1 . GLY 35 35 18505 1 . ILE 36 36 18505 1 . PRO 37 37 18505 1 . ALA 38 38 18505 1 . SER 39 39 18505 1 . GLU 40 40 18505 1 . GLN 41 41 18505 1 . LYS 42 42 18505 1 . GLY 43 43 18505 1 . TYR 44 44 18505 1 . TRP 45 45 18505 1 . TYR 46 46 18505 1 . ARG 47 47 18505 1 . HIS 48 48 18505 1 . ASN 49 49 18505 1 . ARG 50 50 18505 1 . ARG 51 51 18505 1 . SER 52 52 18505 1 . PHE 53 53 18505 1 . LYS 54 54 18505 1 . THR 55 55 18505 1 . PRO 56 56 18505 1 . ASP 57 57 18505 1 . GLY 58 58 18505 1 . GLN 59 59 18505 1 . GLN 60 60 18505 1 . LYS 61 61 18505 1 . GLN 62 62 18505 1 . LEU 63 63 18505 1 . LEU 64 64 18505 1 . PRO 65 65 18505 1 . ARG 66 66 18505 1 . TRP 67 67 18505 1 . TYR 68 68 18505 1 . PHE 69 69 18505 1 . TYR 70 70 18505 1 . TYR 71 71 18505 1 . LEU 72 72 18505 1 . GLY 73 73 18505 1 . THR 74 74 18505 1 . GLY 75 75 18505 1 . PRO 76 76 18505 1 . HIS 77 77 18505 1 . ALA 78 78 18505 1 . GLY 79 79 18505 1 . ALA 80 80 18505 1 . SER 81 81 18505 1 . TYR 82 82 18505 1 . GLY 83 83 18505 1 . ASP 84 84 18505 1 . SER 85 85 18505 1 . ILE 86 86 18505 1 . GLU 87 87 18505 1 . GLY 88 88 18505 1 . VAL 89 89 18505 1 . PHE 90 90 18505 1 . TRP 91 91 18505 1 . VAL 92 92 18505 1 . ALA 93 93 18505 1 . ASN 94 94 18505 1 . SER 95 95 18505 1 . GLN 96 96 18505 1 . ALA 97 97 18505 1 . ASP 98 98 18505 1 . THR 99 99 18505 1 . ASN 100 100 18505 1 . THR 101 101 18505 1 . ARG 102 102 18505 1 . SER 103 103 18505 1 . ASP 104 104 18505 1 . ILE 105 105 18505 1 . VAL 106 106 18505 1 . GLU 107 107 18505 1 . ARG 108 108 18505 1 . ASP 109 109 18505 1 . PRO 110 110 18505 1 . SER 111 111 18505 1 . SER 112 112 18505 1 . HIS 113 113 18505 1 . GLU 114 114 18505 1 . ALA 115 115 18505 1 . ILE 116 116 18505 1 . PRO 117 117 18505 1 . THR 118 118 18505 1 . ARG 119 119 18505 1 . PHE 120 120 18505 1 . ALA 121 121 18505 1 . PRO 122 122 18505 1 . GLY 123 123 18505 1 . THR 124 124 18505 1 . VAL 125 125 18505 1 . LEU 126 126 18505 1 . PRO 127 127 18505 1 . GLN 128 128 18505 1 . GLY 129 129 18505 1 . PHE 130 130 18505 1 . TYR 131 131 18505 1 . VAL 132 132 18505 1 . GLU 133 133 18505 1 . GLY 134 134 18505 1 . SER 135 135 18505 1 . GLY 136 136 18505 1 . ARG 137 137 18505 1 . SER 138 138 18505 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 18505 _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 $MHV_N_NTD . 11138 virus . 'Betacoronavirus Murine coronavirus' 'Murine Hepatitis Virus' . . Virus . Betacoronavirus 'Murine coronavirus' A59 . . . . . . . . . . . . . . . N . . . . 18505 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 18505 _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 $MHV_N_NTD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pMBP . . . . . . 18505 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18505 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'MHV N NTD' '[U-100% 13C; U-100% 15N]' . . 1 $MHV_N_NTD . . 200 . . uM . . . . 18505 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18505 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18505 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18505 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'MHV N NTD' '[U-100% 13C; U-100% 15N]' . . 1 $MHV_N_NTD . . 200 . . uM . . . . 18505 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18505 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18505 _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 'ionic strength' 150 . mM 18505 1 pH 6.0 . pH 18505 1 pressure 1 . atm 18505 1 temperature 273 . K 18505 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18505 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 18505 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18505 1 'data analysis' 18505 1 'peak picking' 18505 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18505 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 18505 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18505 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18505 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18505 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18505 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 600 . . . 18505 1 2 spectrometer_2 Varian VNMRS . 800 . . . 18505 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 18505 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 3 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 9 '3D HNHB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 10 HBCBCGCDHD no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 11 HBCBCGCDCEHE no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 12 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 13 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 15 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18505 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18505 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18505 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18505 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18505 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18505 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 18505 1 2 '3D HNCO' . . . 18505 1 3 '3D CBCANH' . . . 18505 1 4 '3D CBCA(CO)NH' . . . 18505 1 5 '3D C(CO)NH' . . . 18505 1 6 '3D H(CCO)NH' . . . 18505 1 7 '3D HNHA' . . . 18505 1 8 '3D 1H-15N TOCSY' . . . 18505 1 9 '3D HNHB' . . . 18505 1 10 HBCBCGCDHD . . . 18505 1 11 HBCBCGCDCEHE . . . 18505 1 12 '2D 1H-13C HSQC aliphatic' . . . 18505 1 13 '2D 1H-13C HSQC aromatic' . . . 18505 1 14 '3D HCCH-TOCSY' . . . 18505 1 15 '3D HCCH-COSY' . . . 18505 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER HB2 H 1 3.84 0 . 2 . . . . 61 SER QB . 18505 1 2 . 1 1 2 2 SER HB3 H 1 3.84 0 . 2 . . . . 61 SER QB . 18505 1 3 . 1 1 2 2 SER C C 13 176.13 0 . . . . . . 61 SER CO . 18505 1 4 . 1 1 2 2 SER CA C 13 58.28 0 . 1 . . . . 61 SER CA . 18505 1 5 . 1 1 2 2 SER CB C 13 64.05 0 . 1 . . . . 61 SER CB . 18505 1 6 . 1 1 3 3 VAL H H 1 8.28 0.01 . 1 . . . . 62 VAL H . 18505 1 7 . 1 1 3 3 VAL HA H 1 4.16 0.01 . 1 . . . . 62 VAL HA . 18505 1 8 . 1 1 3 3 VAL HB H 1 2.04 0.01 . 1 . . . . 62 VAL HB . 18505 1 9 . 1 1 3 3 VAL HG11 H 1 0.93 0 . 2 . . . . 62 VAL MG1 . 18505 1 10 . 1 1 3 3 VAL HG12 H 1 0.93 0 . 2 . . . . 62 VAL MG1 . 18505 1 11 . 1 1 3 3 VAL HG13 H 1 0.93 0 . 2 . . . . 62 VAL MG1 . 18505 1 12 . 1 1 3 3 VAL HG21 H 1 0.88 0.01 . 2 . . . . 62 VAL MG2 . 18505 1 13 . 1 1 3 3 VAL HG22 H 1 0.88 0.01 . 2 . . . . 62 VAL MG2 . 18505 1 14 . 1 1 3 3 VAL HG23 H 1 0.88 0.01 . 2 . . . . 62 VAL MG2 . 18505 1 15 . 1 1 3 3 VAL C C 13 175.88 0 . . . . . . 62 VAL CO . 18505 1 16 . 1 1 3 3 VAL CA C 13 62.35 0.1 . 1 . . . . 62 VAL CA . 18505 1 17 . 1 1 3 3 VAL CB C 13 32.53 0.14 . 1 . . . . 62 VAL CB . 18505 1 18 . 1 1 3 3 VAL CG1 C 13 20.89 0 . . . . . . 62 VAL CG1 . 18505 1 19 . 1 1 3 3 VAL CG2 C 13 21.12 0 . 2 . . . . 62 VAL CG2 . 18505 1 20 . 1 1 3 3 VAL N N 15 122.32 0.05 . 1 . . . . 62 VAL N . 18505 1 21 . 1 1 4 4 VAL H H 1 8.09 0.01 . 1 . . . . 63 VAL H . 18505 1 22 . 1 1 4 4 VAL HA H 1 4.33 0.01 . 1 . . . . 63 VAL HA . 18505 1 23 . 1 1 4 4 VAL HB H 1 1.93 0.01 . 1 . . . . 63 VAL HB . 18505 1 24 . 1 1 4 4 VAL HG11 H 1 0.81 0.01 . 2 . . . . 63 VAL MG1 . 18505 1 25 . 1 1 4 4 VAL HG12 H 1 0.81 0.01 . 2 . . . . 63 VAL MG1 . 18505 1 26 . 1 1 4 4 VAL HG13 H 1 0.81 0.01 . 2 . . . . 63 VAL MG1 . 18505 1 27 . 1 1 4 4 VAL HG21 H 1 0.78 0 . 2 . . . . 63 VAL MG2 . 18505 1 28 . 1 1 4 4 VAL HG22 H 1 0.78 0 . 2 . . . . 63 VAL MG2 . 18505 1 29 . 1 1 4 4 VAL HG23 H 1 0.78 0 . 2 . . . . 63 VAL MG2 . 18505 1 30 . 1 1 4 4 VAL CA C 13 59.46 0.11 . 1 . . . . 63 VAL CA . 18505 1 31 . 1 1 4 4 VAL CG1 C 13 20.2 0 . 2 . . . . 63 VAL CG1 . 18505 1 32 . 1 1 4 4 VAL CG2 C 13 20.91 0 . 2 . . . . 63 VAL CG2 . 18505 1 33 . 1 1 4 4 VAL N N 15 125.88 0.05 . 1 . . . . 63 VAL N . 18505 1 34 . 1 1 5 5 PRO HA H 1 4.19 0.01 . 1 . . . . 64 PRO HA . 18505 1 35 . 1 1 5 5 PRO HB2 H 1 2 0 . 2 . . . . 64 PRO QB . 18505 1 36 . 1 1 5 5 PRO HB3 H 1 2 0 . 2 . . . . 64 PRO QB . 18505 1 37 . 1 1 5 5 PRO HG2 H 1 1.91 0 . 2 . . . . 64 PRO QG . 18505 1 38 . 1 1 5 5 PRO HG3 H 1 1.91 0 . 2 . . . . 64 PRO QG . 18505 1 39 . 1 1 5 5 PRO C C 13 176.21 0 . . . . . . 64 PRO CO . 18505 1 40 . 1 1 5 5 PRO CA C 13 62.74 0.16 . 1 . . . . 64 PRO CA . 18505 1 41 . 1 1 5 5 PRO CB C 13 32.2 0.02 . 1 . . . . 64 PRO CB . 18505 1 42 . 1 1 5 5 PRO CG C 13 22.26 0 . 1 . . . . 64 PRO CG . 18505 1 43 . 1 1 6 6 HIS H H 1 8.92 0.01 . 1 . . . . 65 HIS H . 18505 1 44 . 1 1 6 6 HIS HA H 1 4.33 0.02 . 1 . . . . 65 HIS HA . 18505 1 45 . 1 1 6 6 HIS HB2 H 1 3.7 0 . 2 . . . . 65 HIS QB . 18505 1 46 . 1 1 6 6 HIS HB3 H 1 3.7 0 . 2 . . . . 65 HIS QB . 18505 1 47 . 1 1 6 6 HIS CA C 13 57.49 0.07 . 1 . . . . 65 HIS CA . 18505 1 48 . 1 1 6 6 HIS CB C 13 30.03 0.04 . 1 . . . . 65 HIS CB . 18505 1 49 . 1 1 6 6 HIS N N 15 128.66 0.06 . 1 . . . . 65 HIS N . 18505 1 50 . 1 1 7 7 TYR H H 1 8.2 0.02 . 1 . . . . 66 TYR H . 18505 1 51 . 1 1 7 7 TYR HA H 1 4.92 0.01 . 1 . . . . 66 TYR HA . 18505 1 52 . 1 1 7 7 TYR HB2 H 1 2.61 0.01 . 2 . . . . 66 TYR HB2 . 18505 1 53 . 1 1 7 7 TYR HB3 H 1 2.98 0 . 2 . . . . 66 TYR HB3 . 18505 1 54 . 1 1 7 7 TYR CA C 13 49.51 0.02 . 1 . . . . 66 TYR CA . 18505 1 55 . 1 1 7 7 TYR CB C 13 41.46 0.1 . 1 . . . . 66 TYR CB . 18505 1 56 . 1 1 7 7 TYR N N 15 126.38 0.07 . 1 . . . . 66 TYR N . 18505 1 57 . 1 1 8 8 SER HA H 1 4.24 0 . 1 . . . . 67 SER HA . 18505 1 58 . 1 1 8 8 SER C C 13 176.68 0 . . . . . . 67 SER CO . 18505 1 59 . 1 1 8 8 SER CA C 13 57.01 0 . 1 . . . . 67 SER CA . 18505 1 60 . 1 1 8 8 SER CB C 13 63.44 0.02 . 1 . . . . 67 SER CB . 18505 1 61 . 1 1 9 9 TRP H H 1 10.11 0.03 . 1 . . . . 68 TRP H . 18505 1 62 . 1 1 9 9 TRP HB2 H 1 3.01 0 . 2 . . . . 68 TRP HB2 . 18505 1 63 . 1 1 9 9 TRP HB3 H 1 2.49 0 . 2 . . . . 68 TRP HB3 . 18505 1 64 . 1 1 9 9 TRP HD1 H 1 7.5 0.06 . 1 . . . . 68 TRP HD1 . 18505 1 65 . 1 1 9 9 TRP HE1 H 1 10.65 0.01 . 1 . . . . 68 TRP HE1 . 18505 1 66 . 1 1 9 9 TRP C C 13 173.95 0 . . . . . . 68 TRP CO . 18505 1 67 . 1 1 9 9 TRP CA C 13 61.75 0 . 1 . . . . 68 TRP CA . 18505 1 68 . 1 1 9 9 TRP CB C 13 30.7 0.03 . 1 . . . . 68 TRP CB . 18505 1 69 . 1 1 9 9 TRP N N 15 128.38 0.09 . 1 . . . . 68 TRP N . 18505 1 70 . 1 1 9 9 TRP NE1 N 15 129.62 0.02 . 1 . . . . 68 TRP NE1 . 18505 1 71 . 1 1 10 10 PHE H H 1 8.23 0.01 . 1 . . . . 69 PHE H . 18505 1 72 . 1 1 10 10 PHE HA H 1 6.03 0.01 . 1 . . . . 69 PHE HA . 18505 1 73 . 1 1 10 10 PHE HB2 H 1 2.63 0 . . . . . . 69 PHE HB2 . 18505 1 74 . 1 1 10 10 PHE HB3 H 1 2.63 0 . . . . . . 69 PHE HB3 . 18505 1 75 . 1 1 10 10 PHE C C 13 177.74 0 . . . . . . 69 PHE CO . 18505 1 76 . 1 1 10 10 PHE CA C 13 56.7 0.06 . 1 . . . . 69 PHE CA . 18505 1 77 . 1 1 10 10 PHE CB C 13 42.93 0.15 . 1 . . . . 69 PHE CB . 18505 1 78 . 1 1 10 10 PHE N N 15 115.01 0.1 . 1 . . . . 69 PHE N . 18505 1 79 . 1 1 11 11 SER H H 1 8.31 0.01 . 1 . . . . 70 SER H . 18505 1 80 . 1 1 11 11 SER HA H 1 4.62 0 . 1 . . . . 70 SER HA . 18505 1 81 . 1 1 11 11 SER HB2 H 1 4.36 0.05 . 2 . . . . 70 SER HB2 . 18505 1 82 . 1 1 11 11 SER HB3 H 1 4.14 0.08 . 2 . . . . 70 SER HB3 . 18505 1 83 . 1 1 11 11 SER C C 13 176.57 0 . . . . . . 70 SER CO . 18505 1 84 . 1 1 11 11 SER CA C 13 58.72 0 . 1 . . . . 70 SER CA . 18505 1 85 . 1 1 11 11 SER CB C 13 64.31 0.01 . 1 . . . . 70 SER CB . 18505 1 86 . 1 1 11 11 SER N N 15 118.5 0.04 . 1 . . . . 70 SER N . 18505 1 87 . 1 1 12 12 GLY H H 1 9.3 0.01 . 1 . . . . 71 GLY H . 18505 1 88 . 1 1 12 12 GLY HA2 H 1 4.71 0 . 2 . . . . 71 GLY HA2 . 18505 1 89 . 1 1 12 12 GLY HA3 H 1 2.97 0 . 2 . . . . 71 GLY HA3 . 18505 1 90 . 1 1 12 12 GLY C C 13 171.93 0 . . . . . . 71 GLY CO . 18505 1 91 . 1 1 12 12 GLY CA C 13 45.38 0.04 . 1 . . . . 71 GLY CA . 18505 1 92 . 1 1 12 12 GLY N N 15 110.59 0.03 . 1 . . . . 71 GLY N . 18505 1 93 . 1 1 13 13 ILE H H 1 9.17 0.01 . 1 . . . . 72 ILE H . 18505 1 94 . 1 1 13 13 ILE HG21 H 1 0.77 0 . . . . . . 72 ILE HG21 . 18505 1 95 . 1 1 13 13 ILE HG22 H 1 0.77 0 . . . . . . 72 ILE HG22 . 18505 1 96 . 1 1 13 13 ILE HG23 H 1 0.77 0 . . . . . . 72 ILE HG23 . 18505 1 97 . 1 1 13 13 ILE CA C 13 60.89 0.04 . 1 . . . . 72 ILE CA . 18505 1 98 . 1 1 13 13 ILE CB C 13 40.23 0.08 . 1 . . . . 72 ILE CB . 18505 1 99 . 1 1 13 13 ILE CG1 C 13 28.08 0 . 1 . . . . 72 ILE CG1 . 18505 1 100 . 1 1 13 13 ILE CG2 C 13 19.26 0 . 1 . . . . 72 ILE CG2 . 18505 1 101 . 1 1 13 13 ILE N N 15 117.5 0.02 . 1 . . . . 72 ILE N . 18505 1 102 . 1 1 14 14 THR H H 1 9.33 0.01 . 1 . . . . 73 THR H . 18505 1 103 . 1 1 14 14 THR HA H 1 4.69 0.01 . 1 . . . . 73 THR HA . 18505 1 104 . 1 1 14 14 THR HB H 1 3.55 0.01 . 1 . . . . 73 THR HB . 18505 1 105 . 1 1 14 14 THR HG21 H 1 1.17 0 . . . . . . 73 THR QG2 . 18505 1 106 . 1 1 14 14 THR HG22 H 1 1.17 0 . . . . . . 73 THR QG2 . 18505 1 107 . 1 1 14 14 THR HG23 H 1 1.17 0 . . . . . . 73 THR QG2 . 18505 1 108 . 1 1 14 14 THR C C 13 173.62 0 . . . . . . 73 THR CO . 18505 1 109 . 1 1 14 14 THR CA C 13 62.7 0 . 1 . . . . 73 THR CA . 18505 1 110 . 1 1 14 14 THR CB C 13 70.48 0.1 . 1 . . . . 73 THR CB . 18505 1 111 . 1 1 14 14 THR N N 15 126.86 0.09 . 1 . . . . 73 THR N . 18505 1 112 . 1 1 15 15 GLN H H 1 8.74 0.01 . 1 . . . . 74 GLN H . 18505 1 113 . 1 1 15 15 GLN HA H 1 3.85 0.01 . 1 . . . . 74 GLN HA . 18505 1 114 . 1 1 15 15 GLN HB2 H 1 1.11 0 . 2 . . . . 74 GLN QB . 18505 1 115 . 1 1 15 15 GLN HB3 H 1 1.11 0 . 2 . . . . 74 GLN QB . 18505 1 116 . 1 1 15 15 GLN C C 13 174.1 0 . . . . . . 74 GLN CO . 18505 1 117 . 1 1 15 15 GLN CA C 13 55.91 0 . 1 . . . . 74 GLN CA . 18505 1 118 . 1 1 15 15 GLN CB C 13 28.79 0 . 1 . . . . 74 GLN CB . 18505 1 119 . 1 1 15 15 GLN CG C 13 33.09 0 . 1 . . . . 74 GLN CG . 18505 1 120 . 1 1 15 15 GLN N N 15 128.67 0.06 . 1 . . . . 74 GLN N . 18505 1 121 . 1 1 16 16 PHE H H 1 8.71 0.01 . 1 . . . . 75 PHE H . 18505 1 122 . 1 1 16 16 PHE HA H 1 5.01 0.01 . 1 . . . . 75 PHE HA . 18505 1 123 . 1 1 16 16 PHE HB2 H 1 3.32 0.01 . 2 . . . . 75 PHE HB2 . 18505 1 124 . 1 1 16 16 PHE HB3 H 1 2.71 0.01 . 2 . . . . 75 PHE HB3 . 18505 1 125 . 1 1 16 16 PHE HD1 H 1 7.09 0.09 . 3 . . . . 75 PHE QD . 18505 1 126 . 1 1 16 16 PHE HD2 H 1 7.09 0.09 . 3 . . . . 75 PHE QD . 18505 1 127 . 1 1 16 16 PHE CA C 13 56.91 0.07 . 1 . . . . 75 PHE CA . 18505 1 128 . 1 1 16 16 PHE CB C 13 40.96 0.03 . 1 . . . . 75 PHE CB . 18505 1 129 . 1 1 16 16 PHE N N 15 122.54 0.08 . 1 . . . . 75 PHE N . 18505 1 130 . 1 1 17 17 GLN H H 1 6.89 0.01 . 1 . . . . 76 GLN H . 18505 1 131 . 1 1 17 17 GLN HA H 1 4.56 0.01 . 1 . . . . 76 GLN HA . 18505 1 132 . 1 1 17 17 GLN HB2 H 1 1.74 0.01 . 2 . . . . 76 GLN HB2 . 18505 1 133 . 1 1 17 17 GLN HB3 H 1 1.49 0.05 . 2 . . . . 76 GLN HB3 . 18505 1 134 . 1 1 17 17 GLN HG2 H 1 2.1 0.02 . 2 . . . . 76 GLN QG . 18505 1 135 . 1 1 17 17 GLN HG3 H 1 2.1 0.02 . 2 . . . . 76 GLN QG . 18505 1 136 . 1 1 17 17 GLN C C 13 174.77 0 . . . . . . 76 GLN CO . 18505 1 137 . 1 1 17 17 GLN CA C 13 54.19 0.24 . 1 . . . . 76 GLN CA . 18505 1 138 . 1 1 17 17 GLN CB C 13 31.12 0 . 1 . . . . 76 GLN CB . 18505 1 139 . 1 1 17 17 GLN CG C 13 33.59 0 . 1 . . . . 76 GLN CG . 18505 1 140 . 1 1 17 17 GLN N N 15 121.44 0.04 . 1 . . . . 76 GLN N . 18505 1 141 . 1 1 18 18 LYS H H 1 8.67 0.01 . 1 . . . . 77 LYS H . 18505 1 142 . 1 1 18 18 LYS HA H 1 3.89 0 . 1 . . . . 77 LYS HA . 18505 1 143 . 1 1 18 18 LYS HB2 H 1 1.73 0.03 . 2 . . . . 77 LYS QB . 18505 1 144 . 1 1 18 18 LYS HB3 H 1 1.73 0.03 . 2 . . . . 77 LYS QB . 18505 1 145 . 1 1 18 18 LYS HG2 H 1 1.45 0 . 2 . . . . 77 LYS HG2 . 18505 1 146 . 1 1 18 18 LYS HG3 H 1 1.39 0 . 2 . . . . 77 LYS HG3 . 18505 1 147 . 1 1 18 18 LYS C C 13 177.2 0 . . . . . . 77 LYS CO . 18505 1 148 . 1 1 18 18 LYS CA C 13 57.64 0.05 . 1 . . . . 77 LYS CA . 18505 1 149 . 1 1 18 18 LYS CB C 13 32.76 0.13 . 1 . . . . 77 LYS CB . 18505 1 150 . 1 1 18 18 LYS CG C 13 25.3 0 . 1 . . . . 77 LYS CG . 18505 1 151 . 1 1 18 18 LYS CD C 13 29.27 0 . 1 . . . . 77 LYS CD . 18505 1 152 . 1 1 18 18 LYS N N 15 125.49 0.03 . 1 . . . . 77 LYS N . 18505 1 153 . 1 1 19 19 GLY H H 1 8.78 0.01 . 1 . . . . 78 GLY H . 18505 1 154 . 1 1 19 19 GLY HA2 H 1 4.02 0 . 2 . . . . 78 GLY HA2 . 18505 1 155 . 1 1 19 19 GLY HA3 H 1 3.75 0 . 2 . . . . 78 GLY HA3 . 18505 1 156 . 1 1 19 19 GLY C C 13 174.08 0 . . . . . . 78 GLY CO . 18505 1 157 . 1 1 19 19 GLY CA C 13 45.98 0.01 . 1 . . . . 78 GLY CA . 18505 1 158 . 1 1 19 19 GLY N N 15 110.24 0.04 . 1 . . . . 78 GLY N . 18505 1 159 . 1 1 20 20 LYS H H 1 6.72 0.01 . 1 . . . . 79 LYS H . 18505 1 160 . 1 1 20 20 LYS HA H 1 4.54 0.01 . 1 . . . . 79 LYS HA . 18505 1 161 . 1 1 20 20 LYS HB2 H 1 1.93 0 . 2 . . . . 79 LYS HB2 . 18505 1 162 . 1 1 20 20 LYS HB3 H 1 2.07 0 . 2 . . . . 79 LYS HB3 . 18505 1 163 . 1 1 20 20 LYS HG2 H 1 1.58 0 . 2 . . . . 79 LYS HG2 . 18505 1 164 . 1 1 20 20 LYS HG3 H 1 1.55 0 . 2 . . . . 79 LYS HG3 . 18505 1 165 . 1 1 20 20 LYS HD2 H 1 1.11 0 . 2 . . . . 79 LYS QD . 18505 1 166 . 1 1 20 20 LYS HD3 H 1 1.11 0 . 2 . . . . 79 LYS QD . 18505 1 167 . 1 1 20 20 LYS HE2 H 1 2.63 0 . 2 . . . . 79 LYS QE . 18505 1 168 . 1 1 20 20 LYS HE3 H 1 2.63 0 . 2 . . . . 79 LYS QE . 18505 1 169 . 1 1 20 20 LYS CA C 13 53.29 0.13 . 1 . . . . 79 LYS CA . 18505 1 170 . 1 1 20 20 LYS CB C 13 33.22 0.07 . 1 . . . . 79 LYS CB . 18505 1 171 . 1 1 20 20 LYS CG C 13 24.57 0 . 1 . . . . 79 LYS CG . 18505 1 172 . 1 1 20 20 LYS CD C 13 27.48 0 . 1 . . . . 79 LYS CD . 18505 1 173 . 1 1 20 20 LYS CE C 13 41.91 0 . 1 . . . . 79 LYS CE . 18505 1 174 . 1 1 20 20 LYS N N 15 118.38 0.04 . 1 . . . . 79 LYS N . 18505 1 175 . 1 1 21 21 GLU H H 1 8.44 0.01 . 1 . . . . 80 GLU H . 18505 1 176 . 1 1 21 21 GLU N N 15 121.05 0.04 . 1 . . . . 80 GLU N . 18505 1 177 . 1 1 22 22 PHE HA H 1 4.66 0 . 1 . . . . 81 PHE HA . 18505 1 178 . 1 1 22 22 PHE C C 13 177.63 0 . . . . . . 81 PHE CO . 18505 1 179 . 1 1 22 22 PHE CA C 13 54.14 0.06 . 1 . . . . 81 PHE CA . 18505 1 180 . 1 1 22 22 PHE CB C 13 39.78 0 . 1 . . . . 81 PHE CB . 18505 1 181 . 1 1 23 23 GLN H H 1 7.86 0.01 . 1 . . . . 82 GLN H . 18505 1 182 . 1 1 23 23 GLN HB2 H 1 1.78 0 . 2 . . . . 82 GLN HB2 . 18505 1 183 . 1 1 23 23 GLN HB3 H 1 1.58 0 . 2 . . . . 82 GLN HB3 . 18505 1 184 . 1 1 23 23 GLN HG2 H 1 2.35 0 . 2 . . . . 82 GLN QG . 18505 1 185 . 1 1 23 23 GLN HG3 H 1 2.35 0 . 2 . . . . 82 GLN QG . 18505 1 186 . 1 1 23 23 GLN C C 13 171.98 0 . . . . . . 82 GLN CO . 18505 1 187 . 1 1 23 23 GLN CA C 13 53.96 0.01 . 1 . . . . 82 GLN CA . 18505 1 188 . 1 1 23 23 GLN CB C 13 30.15 0 . 1 . . . . 82 GLN CB . 18505 1 189 . 1 1 23 23 GLN CG C 13 31.19 0 . 1 . . . . 82 GLN CG . 18505 1 190 . 1 1 23 23 GLN N N 15 115.12 0.07 . 1 . . . . 82 GLN N . 18505 1 191 . 1 1 24 24 PHE H H 1 6.18 0.01 . 1 . . . . 83 PHE H . 18505 1 192 . 1 1 24 24 PHE HA H 1 4.18 0 . 1 . . . . 83 PHE HA . 18505 1 193 . 1 1 24 24 PHE HB2 H 1 2.29 0.01 . 2 . . . . 83 PHE HB2 . 18505 1 194 . 1 1 24 24 PHE HB3 H 1 2.87 0.04 . 2 . . . . 83 PHE HB3 . 18505 1 195 . 1 1 24 24 PHE HD1 H 1 6.55 0 . 3 . . . . 83 PHE Hd . 18505 1 196 . 1 1 24 24 PHE HD2 H 1 6.55 0 . 3 . . . . 83 PHE Hd . 18505 1 197 . 1 1 24 24 PHE C C 13 174.83 0 . . . . . . 83 PHE CO . 18505 1 198 . 1 1 24 24 PHE CA C 13 57.11 0.07 . 1 . . . . 83 PHE CA . 18505 1 199 . 1 1 24 24 PHE CB C 13 44.41 0.02 . 1 . . . . 83 PHE CB . 18505 1 200 . 1 1 24 24 PHE N N 15 116.99 0.04 . 1 . . . . 83 PHE N . 18505 1 201 . 1 1 25 25 ALA H H 1 8.85 0.01 . 1 . . . . 84 ALA H . 18505 1 202 . 1 1 25 25 ALA HA H 1 4.29 0.01 . 1 . . . . 84 ALA HA . 18505 1 203 . 1 1 25 25 ALA HB1 H 1 1.34 0.01 . 1 . . . . 84 ALA HB . 18505 1 204 . 1 1 25 25 ALA HB2 H 1 1.34 0.01 . 1 . . . . 84 ALA HB . 18505 1 205 . 1 1 25 25 ALA HB3 H 1 1.34 0.01 . 1 . . . . 84 ALA HB . 18505 1 206 . 1 1 25 25 ALA C C 13 176.41 0 . . . . . . 84 ALA CO . 18505 1 207 . 1 1 25 25 ALA CA C 13 51.52 0.05 . 1 . . . . 84 ALA CA . 18505 1 208 . 1 1 25 25 ALA CB C 13 19.23 0.03 . 1 . . . . 84 ALA CB . 18505 1 209 . 1 1 25 25 ALA N N 15 124.53 0.03 . 1 . . . . 84 ALA N . 18505 1 210 . 1 1 26 26 GLU H H 1 8.46 0.01 . 1 . . . . 85 GLU H . 18505 1 211 . 1 1 26 26 GLU HA H 1 4.2 0.01 . 1 . . . . 85 GLU HA . 18505 1 212 . 1 1 26 26 GLU HB2 H 1 2.15 0.01 . 2 . . . . 85 GLU HB2 . 18505 1 213 . 1 1 26 26 GLU HB3 H 1 2.06 0.03 . 2 . . . . 85 GLU HB3 . 18505 1 214 . 1 1 26 26 GLU HG2 H 1 2.51 0 . 2 . . . . 85 GLU HG2 . 18505 1 215 . 1 1 26 26 GLU HG3 H 1 2.43 0 . 2 . . . . 85 GLU HG3 . 18505 1 216 . 1 1 26 26 GLU C C 13 177.91 0 . . . . . . 85 GLU CO . 18505 1 217 . 1 1 26 26 GLU CA C 13 58.76 0.1 . 1 . . . . 85 GLU CA . 18505 1 218 . 1 1 26 26 GLU CB C 13 29.76 0.1 . 1 . . . . 85 GLU CB . 18505 1 219 . 1 1 26 26 GLU CG C 13 36.52 0.05 . 1 . . . . 85 GLU CG . 18505 1 220 . 1 1 26 26 GLU N N 15 120.12 0.02 . 1 . . . . 85 GLU N . 18505 1 221 . 1 1 27 27 GLY H H 1 9.22 0.01 . 1 . . . . 86 GLY H . 18505 1 222 . 1 1 27 27 GLY HA2 H 1 4.27 0 . 2 . . . . 86 GLY HA2 . 18505 1 223 . 1 1 27 27 GLY HA3 H 1 4.52 0 . 2 . . . . 86 GLY HA3 . 18505 1 224 . 1 1 27 27 GLY C C 13 174.97 0 . . . . . . 86 GLY CO . 18505 1 225 . 1 1 27 27 GLY CA C 13 45.07 0.01 . 1 . . . . 86 GLY CA . 18505 1 226 . 1 1 27 27 GLY N N 15 116.31 0.03 . 1 . . . . 86 GLY N . 18505 1 227 . 1 1 28 28 GLN H H 1 8.56 0.01 . 1 . . . . 87 GLN H . 18505 1 228 . 1 1 28 28 GLN HA H 1 4.81 0.01 . 1 . . . . 87 GLN HA . 18505 1 229 . 1 1 28 28 GLN HB2 H 1 1.91 0 . 2 . . . . 87 GLN HB2 . 18505 1 230 . 1 1 28 28 GLN HB3 H 1 2.08 0 . 2 . . . . 87 GLN HB3 . 18505 1 231 . 1 1 28 28 GLN HG2 H 1 2.3 0 . 2 . . . . 87 GLN QG . 18505 1 232 . 1 1 28 28 GLN HG3 H 1 2.3 0 . 2 . . . . 87 GLN QG . 18505 1 233 . 1 1 28 28 GLN C C 13 176.01 0 . . . . . . 87 GLN CO . 18505 1 234 . 1 1 28 28 GLN CA C 13 54.14 0 . 1 . . . . 87 GLN CA . 18505 1 235 . 1 1 28 28 GLN CB C 13 31.21 0 . 1 . . . . 87 GLN CB . 18505 1 236 . 1 1 28 28 GLN CG C 13 33.64 0 . 1 . . . . 87 GLN CG . 18505 1 237 . 1 1 28 28 GLN N N 15 119.92 0.05 . 1 . . . . 87 GLN N . 18505 1 238 . 1 1 29 29 GLY H H 1 8.26 0.01 . 1 . . . . 88 GLY H . 18505 1 239 . 1 1 29 29 GLY HA2 H 1 3.07 0.02 . 2 . . . . 88 GLY QA . 18505 1 240 . 1 1 29 29 GLY HA3 H 1 3.07 0.02 . 2 . . . . 88 GLY QA . 18505 1 241 . 1 1 29 29 GLY C C 13 173.45 0 . . . . . . 88 GLY CO . 18505 1 242 . 1 1 29 29 GLY CA C 13 43.73 0.13 . 1 . . . . 88 GLY CA . 18505 1 243 . 1 1 29 29 GLY N N 15 107.18 11.89 . 1 . . . . 88 GLY N . 18505 1 244 . 1 1 30 30 VAL H H 1 7.74 0.01 . 1 . . . . 89 VAL H . 18505 1 245 . 1 1 30 30 VAL HA H 1 3.88 0.01 . 1 . . . . 89 VAL HA . 18505 1 246 . 1 1 30 30 VAL HB H 1 1.76 0 . 1 . . . . 89 VAL HB . 18505 1 247 . 1 1 30 30 VAL HG11 H 1 0.47 0 . . . . . . 89 VAL QG1 . 18505 1 248 . 1 1 30 30 VAL HG12 H 1 0.47 0 . . . . . . 89 VAL QG1 . 18505 1 249 . 1 1 30 30 VAL HG13 H 1 0.47 0 . . . . . . 89 VAL QG1 . 18505 1 250 . 1 1 30 30 VAL HG21 H 1 0.62 0 . . . . . . 89 VAL QG2 . 18505 1 251 . 1 1 30 30 VAL HG22 H 1 0.62 0 . . . . . . 89 VAL QG2 . 18505 1 252 . 1 1 30 30 VAL HG23 H 1 0.62 0 . . . . . . 89 VAL QG2 . 18505 1 253 . 1 1 30 30 VAL CA C 13 59.13 0.05 . 1 . . . . 89 VAL CA . 18505 1 254 . 1 1 30 30 VAL N N 15 121.68 0.03 . 1 . . . . 89 VAL N . 18505 1 255 . 1 1 31 31 PRO HA H 1 3.86 0 . 1 . . . . 90 PRO HA . 18505 1 256 . 1 1 31 31 PRO C C 13 174.63 0 . . . . . . 90 PRO CO . 18505 1 257 . 1 1 31 31 PRO CA C 13 61.81 0.04 . 1 . . . . 90 PRO CA . 18505 1 258 . 1 1 31 31 PRO CB C 13 31.18 0.09 . 1 . . . . 90 PRO CB . 18505 1 259 . 1 1 31 31 PRO CG C 13 27.75 0 . 1 . . . . 90 PRO CG . 18505 1 260 . 1 1 32 32 ILE H H 1 7.57 0.01 . 1 . . . . 91 ILE H . 18505 1 261 . 1 1 32 32 ILE HA H 1 3.94 0.01 . 1 . . . . 91 ILE HA . 18505 1 262 . 1 1 32 32 ILE HB H 1 1.46 0.03 . 1 . . . . 91 ILE HB . 18505 1 263 . 1 1 32 32 ILE HG12 H 1 1.86 0 . 2 . . . . 91 ILE HG1 . 18505 1 264 . 1 1 32 32 ILE HG13 H 1 1.86 0 . 2 . . . . 91 ILE HG1 . 18505 1 265 . 1 1 32 32 ILE HG21 H 1 0.7 0 . 1 . . . . 91 ILE HG2 . 18505 1 266 . 1 1 32 32 ILE HG22 H 1 0.7 0 . 1 . . . . 91 ILE HG2 . 18505 1 267 . 1 1 32 32 ILE HG23 H 1 0.7 0 . 1 . . . . 91 ILE HG2 . 18505 1 268 . 1 1 32 32 ILE HD11 H 1 1.33 0 . 1 . . . . 91 ILE HD11 . 18505 1 269 . 1 1 32 32 ILE HD12 H 1 0.85 0 . 1 . . . . 91 ILE HD12 . 18505 1 270 . 1 1 32 32 ILE HD13 H 1 0.24 0 . 1 . . . . 91 ILE HD13 . 18505 1 271 . 1 1 32 32 ILE CA C 13 60.71 0.12 . 1 . . . . 91 ILE CA . 18505 1 272 . 1 1 32 32 ILE CB C 13 39.35 0.09 . 1 . . . . 91 ILE CB . 18505 1 273 . 1 1 32 32 ILE CG1 C 13 27.18 0.06 . 1 . . . . 91 ILE CG1 . 18505 1 274 . 1 1 32 32 ILE CG2 C 13 17.62 0.13 . 1 . . . . 91 ILE CG2 . 18505 1 275 . 1 1 32 32 ILE CD1 C 13 13.39 0 . 1 . . . . 91 ILE CD1 . 18505 1 276 . 1 1 32 32 ILE N N 15 116.82 0.11 . 1 . . . . 91 ILE N . 18505 1 277 . 1 1 33 33 ALA H H 1 8.67 0.02 . 1 . . . . 92 ALA H . 18505 1 278 . 1 1 33 33 ALA HA H 1 4.73 0 . 1 . . . . 92 ALA HA . 18505 1 279 . 1 1 33 33 ALA HB1 H 1 1.39 0.01 . 1 . . . . 92 ALA HB . 18505 1 280 . 1 1 33 33 ALA HB2 H 1 1.39 0.01 . 1 . . . . 92 ALA HB . 18505 1 281 . 1 1 33 33 ALA HB3 H 1 1.39 0.01 . 1 . . . . 92 ALA HB . 18505 1 282 . 1 1 33 33 ALA C C 13 176.77 0 . . . . . . 92 ALA CO . 18505 1 283 . 1 1 33 33 ALA CA C 13 50.79 0 . 1 . . . . 92 ALA CA . 18505 1 284 . 1 1 33 33 ALA CB C 13 21.95 0.07 . 1 . . . . 92 ALA CB . 18505 1 285 . 1 1 33 33 ALA N N 15 128.96 0.07 . 1 . . . . 92 ALA N . 18505 1 286 . 1 1 34 34 ASN H H 1 8.88 0.01 . 1 . . . . 93 ASN H . 18505 1 287 . 1 1 34 34 ASN HA H 1 4.42 0.04 . 1 . . . . 93 ASN HA . 18505 1 288 . 1 1 34 34 ASN HB2 H 1 2.71 0.01 . 2 . . . . 93 ASN QB . 18505 1 289 . 1 1 34 34 ASN HB3 H 1 2.71 0.01 . 2 . . . . 93 ASN QB . 18505 1 290 . 1 1 34 34 ASN C C 13 176.37 0 . . . . . . 93 ASN CO . 18505 1 291 . 1 1 34 34 ASN CA C 13 54.7 0 . 1 . . . . 93 ASN CA . 18505 1 292 . 1 1 34 34 ASN CB C 13 38.19 0.16 . 1 . . . . 93 ASN CB . 18505 1 293 . 1 1 34 34 ASN N N 15 122.15 0.14 . 1 . . . . 93 ASN N . 18505 1 294 . 1 1 35 35 GLY H H 1 8.78 0.01 . 1 . . . . 94 GLY H . 18505 1 295 . 1 1 35 35 GLY HA2 H 1 4.05 0 . 2 . . . . 94 GLY HA2 . 18505 1 296 . 1 1 35 35 GLY HA3 H 1 3.65 0 . 2 . . . . 94 GLY HA3 . 18505 1 297 . 1 1 35 35 GLY C C 13 173.52 0 . . . . . . 94 GLY CO . 18505 1 298 . 1 1 35 35 GLY CA C 13 45.4 0 . 1 . . . . 94 GLY CA . 18505 1 299 . 1 1 35 35 GLY N N 15 111.72 0.07 . 1 . . . . 94 GLY N . 18505 1 300 . 1 1 36 36 ILE H H 1 7.39 0.01 . 1 . . . . 95 ILE H . 18505 1 301 . 1 1 36 36 ILE HA H 1 4.64 0.01 . 1 . . . . 95 ILE HA . 18505 1 302 . 1 1 36 36 ILE HB H 1 2.14 0.01 . 1 . . . . 95 ILE HB . 18505 1 303 . 1 1 36 36 ILE HG12 H 1 1.24 0 . . . . . . 95 ILE QG1 . 18505 1 304 . 1 1 36 36 ILE HG13 H 1 1.24 0 . . . . . . 95 ILE QG1 . 18505 1 305 . 1 1 36 36 ILE HG21 H 1 0.92 0 . . . . . . 95 ILE QG2 . 18505 1 306 . 1 1 36 36 ILE HG22 H 1 0.92 0 . . . . . . 95 ILE QG2 . 18505 1 307 . 1 1 36 36 ILE HG23 H 1 0.92 0 . . . . . . 95 ILE QG2 . 18505 1 308 . 1 1 36 36 ILE CA C 13 56.25 0.06 . 1 . . . . 95 ILE CA . 18505 1 309 . 1 1 36 36 ILE CB C 13 36.31 0.08 . 1 . . . . 95 ILE CB . 18505 1 310 . 1 1 36 36 ILE N N 15 122.07 0.06 . 1 . . . . 95 ILE N . 18505 1 311 . 1 1 37 37 PRO HA H 1 4.56 0 . 1 . . . . 96 PRO HA . 18505 1 312 . 1 1 37 37 PRO HB2 H 1 2.36 0 . 2 . . . . 96 PRO HB2 . 18505 1 313 . 1 1 37 37 PRO HB3 H 1 2.21 0 . 2 . . . . 96 PRO HB3 . 18505 1 314 . 1 1 37 37 PRO C C 13 177.06 0 . . . . . . 96 PRO CO . 18505 1 315 . 1 1 37 37 PRO CA C 13 62.78 0.07 . 1 . . . . 96 PRO CA . 18505 1 316 . 1 1 37 37 PRO CB C 13 33.14 0.02 . 1 . . . . 96 PRO CB . 18505 1 317 . 1 1 37 37 PRO CG C 13 26.95 0 . 1 . . . . 96 PRO CG . 18505 1 318 . 1 1 38 38 ALA H H 1 8.64 0.01 . 1 . . . . 97 ALA H . 18505 1 319 . 1 1 38 38 ALA HA H 1 3.86 0.07 . 1 . . . . 97 ALA HA . 18505 1 320 . 1 1 38 38 ALA HB1 H 1 1.34 0.02 . 1 . . . . 97 ALA HB . 18505 1 321 . 1 1 38 38 ALA HB2 H 1 1.34 0.02 . 1 . . . . 97 ALA HB . 18505 1 322 . 1 1 38 38 ALA HB3 H 1 1.34 0.02 . 1 . . . . 97 ALA HB . 18505 1 323 . 1 1 38 38 ALA C C 13 179.3 0 . . . . . . 97 ALA CO . 18505 1 324 . 1 1 38 38 ALA CA C 13 55.58 0.07 . 1 . . . . 97 ALA CA . 18505 1 325 . 1 1 38 38 ALA CB C 13 18.37 0.01 . 1 . . . . 97 ALA CB . 18505 1 326 . 1 1 38 38 ALA N N 15 123.28 0.09 . 1 . . . . 97 ALA N . 18505 1 327 . 1 1 39 39 SER H H 1 7.98 0.01 . 1 . . . . 98 SER H . 18505 1 328 . 1 1 39 39 SER HA H 1 3.83 0.02 . 1 . . . . 98 SER HA . 18505 1 329 . 1 1 39 39 SER HB2 H 1 4.09 0 . 2 . . . . 98 SER HB2 . 18505 1 330 . 1 1 39 39 SER HB3 H 1 3.92 0 . 2 . . . . 98 SER HB3 . 18505 1 331 . 1 1 39 39 SER C C 13 175.78 0 . . . . . . 98 SER CO . 18505 1 332 . 1 1 39 39 SER CA C 13 60.47 0.07 . 1 . . . . 98 SER CA . 18505 1 333 . 1 1 39 39 SER CB C 13 62.37 0.05 . 1 . . . . 98 SER CB . 18505 1 334 . 1 1 39 39 SER N N 15 107.63 0.02 . 1 . . . . 98 SER N . 18505 1 335 . 1 1 40 40 GLU H H 1 7.82 0.01 . 1 . . . . 99 GLU H . 18505 1 336 . 1 1 40 40 GLU HA H 1 4.67 0 . 1 . . . . 99 GLU HA . 18505 1 337 . 1 1 40 40 GLU HB2 H 1 2.31 0 . 2 . . . . 99 GLU HB2 . 18505 1 338 . 1 1 40 40 GLU HB3 H 1 2.49 0 . 2 . . . . 99 GLU HB3 . 18505 1 339 . 1 1 40 40 GLU CA C 13 54.76 0.05 . 1 . . . . 99 GLU CA . 18505 1 340 . 1 1 40 40 GLU CB C 13 29.59 0.03 . 1 . . . . 99 GLU CB . 18505 1 341 . 1 1 40 40 GLU CG C 13 35.12 0 . 1 . . . . 99 GLU CG . 18505 1 342 . 1 1 40 40 GLU N N 15 118.58 0.05 . 1 . . . . 99 GLU N . 18505 1 343 . 1 1 41 41 GLN H H 1 7.61 0.01 . 1 . . . . 100 GLN H . 18505 1 344 . 1 1 41 41 GLN HA H 1 4.3 0 . 1 . . . . 100 GLN HA . 18505 1 345 . 1 1 41 41 GLN HB2 H 1 1.77 0 . 2 . . . . 100 GLN HB2 . 18505 1 346 . 1 1 41 41 GLN HB3 H 1 1.93 0 . 2 . . . . 100 GLN HB3 . 18505 1 347 . 1 1 41 41 GLN HG2 H 1 2.46 0 . 2 . . . . 100 GLN QG . 18505 1 348 . 1 1 41 41 GLN HG3 H 1 2.46 0 . 2 . . . . 100 GLN QG . 18505 1 349 . 1 1 41 41 GLN C C 13 173.2 0 . . . . . . 100 GLN CO . 18505 1 350 . 1 1 41 41 GLN CA C 13 55.57 0.16 . 1 . . . . 100 GLN CA . 18505 1 351 . 1 1 41 41 GLN CB C 13 27.06 0.04 . 1 . . . . 100 GLN CB . 18505 1 352 . 1 1 41 41 GLN CG C 13 32.85 0 . 1 . . . . 100 GLN CG . 18505 1 353 . 1 1 41 41 GLN N N 15 120.24 0.03 . 1 . . . . 100 GLN N . 18505 1 354 . 1 1 42 42 LYS H H 1 8.09 0.01 . 1 . . . . 101 LYS H . 18505 1 355 . 1 1 42 42 LYS HA H 1 5.32 0.01 . 1 . . . . 101 LYS HA . 18505 1 356 . 1 1 42 42 LYS HB2 H 1 2.01 0.01 . 2 . . . . 101 LYS QB . 18505 1 357 . 1 1 42 42 LYS HB3 H 1 2.01 0.01 . 2 . . . . 101 LYS QB . 18505 1 358 . 1 1 42 42 LYS HG2 H 1 1.41 0 . 2 . . . . 101 LYS HG2 . 18505 1 359 . 1 1 42 42 LYS HG3 H 1 1.79 0 . 2 . . . . 101 LYS HG3 . 18505 1 360 . 1 1 42 42 LYS HD2 H 1 1.31 0 . 2 . . . . 101 LYS QD . 18505 1 361 . 1 1 42 42 LYS HD3 H 1 1.31 0 . 2 . . . . 101 LYS QD . 18505 1 362 . 1 1 42 42 LYS C C 13 175.95 0 . . . . . . 101 LYS CO . 18505 1 363 . 1 1 42 42 LYS CA C 13 54.45 0.15 . 1 . . . . 101 LYS CA . 18505 1 364 . 1 1 42 42 LYS CB C 13 33.82 0.1 . 1 . . . . 101 LYS CB . 18505 1 365 . 1 1 42 42 LYS CG C 13 23.26 0.26 . 1 . . . . 101 LYS CG . 18505 1 366 . 1 1 42 42 LYS N N 15 119.59 0.03 . 1 . . . . 101 LYS N . 18505 1 367 . 1 1 43 43 GLY H H 1 9.99 0.01 . 1 . . . . 102 GLY H . 18505 1 368 . 1 1 43 43 GLY HA2 H 1 4.94 0 . 2 . . . . 102 GLY HA2 . 18505 1 369 . 1 1 43 43 GLY HA3 H 1 4.07 0 . 2 . . . . 102 GLY HA3 . 18505 1 370 . 1 1 43 43 GLY C C 13 168.81 0 . . . . . . 102 GLY CO . 18505 1 371 . 1 1 43 43 GLY CA C 13 47.82 0.01 . 1 . . . . 102 GLY CA . 18505 1 372 . 1 1 43 43 GLY N N 15 110.28 0.02 . 1 . . . . 102 GLY N . 18505 1 373 . 1 1 44 44 TYR H H 1 8.56 0.01 . 1 . . . . 103 TYR H . 18505 1 374 . 1 1 44 44 TYR HA H 1 5.62 0.01 . 1 . . . . 103 TYR HA . 18505 1 375 . 1 1 44 44 TYR HB2 H 1 2.17 0 . 2 . . . . 103 TYR HB2 . 18505 1 376 . 1 1 44 44 TYR HB3 H 1 2.01 0 . 2 . . . . 103 TYR HB3 . 18505 1 377 . 1 1 44 44 TYR HD1 H 1 7.08 0 . 3 . . . . 103 TYR QD . 18505 1 378 . 1 1 44 44 TYR HD2 H 1 7.08 0 . 3 . . . . 103 TYR QD . 18505 1 379 . 1 1 44 44 TYR C C 13 172.5 0 . . . . . . 103 TYR CO . 18505 1 380 . 1 1 44 44 TYR CA C 13 54.93 0.11 . 1 . . . . 103 TYR CA . 18505 1 381 . 1 1 44 44 TYR CB C 13 39.39 0.05 . 1 . . . . 103 TYR CB . 18505 1 382 . 1 1 44 44 TYR N N 15 118.29 0.05 . 1 . . . . 103 TYR N . 18505 1 383 . 1 1 45 45 TRP H H 1 9.49 0.01 . 1 . . . . 104 TRP H . 18505 1 384 . 1 1 45 45 TRP HA H 1 5.26 0.01 . 1 . . . . 104 TRP HA . 18505 1 385 . 1 1 45 45 TRP HB2 H 1 3.36 0 . 2 . . . . 104 TRP QB . 18505 1 386 . 1 1 45 45 TRP HB3 H 1 3.36 0 . 2 . . . . 104 TRP QB . 18505 1 387 . 1 1 45 45 TRP HD1 H 1 7.32 0 . 1 . . . . 104 TRP HD1 . 18505 1 388 . 1 1 45 45 TRP HE1 H 1 10.92 0.01 . 1 . . . . 104 TRP HE1 . 18505 1 389 . 1 1 45 45 TRP C C 13 175.71 0 . . . . . . 104 TRP CO . 18505 1 390 . 1 1 45 45 TRP CA C 13 56.21 0.07 . 1 . . . . 104 TRP CA . 18505 1 391 . 1 1 45 45 TRP CB C 13 32.82 0 . 1 . . . . 104 TRP CB . 18505 1 392 . 1 1 45 45 TRP N N 15 120.57 0.03 . 1 . . . . 104 TRP N . 18505 1 393 . 1 1 45 45 TRP NE1 N 15 130.79 0.08 . 1 . . . . 104 TRP NE1 . 18505 1 394 . 1 1 46 46 TYR H H 1 10.42 0.01 . 1 . . . . 105 TYR H . 18505 1 395 . 1 1 46 46 TYR HA H 1 4.97 0 . 1 . . . . 105 TYR HA . 18505 1 396 . 1 1 46 46 TYR HB2 H 1 3.37 0.01 . 2 . . . . 105 TYR HB2 . 18505 1 397 . 1 1 46 46 TYR HB3 H 1 2.58 0.01 . 2 . . . . 105 TYR HB3 . 18505 1 398 . 1 1 46 46 TYR HD1 H 1 7.25 0 . 3 . . . . 105 TYR Hd . 18505 1 399 . 1 1 46 46 TYR HD2 H 1 7.25 0 . 3 . . . . 105 TYR Hd . 18505 1 400 . 1 1 46 46 TYR C C 13 173.74 0 . . . . . . 105 TYR CO . 18505 1 401 . 1 1 46 46 TYR CA C 13 55.59 0 . 1 . . . . 105 TYR CA . 18505 1 402 . 1 1 46 46 TYR CB C 13 43.07 0.1 . 1 . . . . 105 TYR CB . 18505 1 403 . 1 1 46 46 TYR N N 15 125.77 0.08 . 1 . . . . 105 TYR N . 18505 1 404 . 1 1 47 47 ARG H H 1 8.2 0.01 . 1 . . . . 106 ARG H . 18505 1 405 . 1 1 47 47 ARG N N 15 131.23 0.04 . 1 . . . . 106 ARG N . 18505 1 406 . 1 1 48 48 HIS HB2 H 1 3.52 0 . 2 . . . . 107 HIS HB2 . 18505 1 407 . 1 1 48 48 HIS HB3 H 1 3.2 0 . 2 . . . . 107 HIS HB3 . 18505 1 408 . 1 1 48 48 HIS HD2 H 1 7.02 0 . 1 . . . . 107 HIS HD2 . 18505 1 409 . 1 1 48 48 HIS C C 13 174.16 0 . . . . . . 107 HIS CO . 18505 1 410 . 1 1 48 48 HIS CB C 13 31.15 0.02 . 1 . . . . 107 HIS CB . 18505 1 411 . 1 1 49 49 ASN H H 1 8.29 0.01 . 1 . . . . 108 ASN H . 18505 1 412 . 1 1 49 49 ASN HA H 1 4.51 0.03 . 1 . . . . 108 ASN HA . 18505 1 413 . 1 1 49 49 ASN HB2 H 1 2.63 0 . 2 . . . . 108 ASN QB . 18505 1 414 . 1 1 49 49 ASN HB3 H 1 2.63 0 . 2 . . . . 108 ASN QB . 18505 1 415 . 1 1 49 49 ASN C C 13 176.41 0 . . . . . . 108 ASN CO . 18505 1 416 . 1 1 49 49 ASN CA C 13 53.36 0.2 . 1 . . . . 108 ASN CA . 18505 1 417 . 1 1 49 49 ASN CB C 13 38.71 0.16 . 1 . . . . 108 ASN CB . 18505 1 418 . 1 1 49 49 ASN N N 15 123.89 0.07 . 1 . . . . 108 ASN N . 18505 1 419 . 1 1 50 50 ARG H H 1 8.55 0.01 . 1 . . . . 109 ARG H . 18505 1 420 . 1 1 50 50 ARG HA H 1 4.38 0 . 1 . . . . 109 ARG HA . 18505 1 421 . 1 1 50 50 ARG HB2 H 1 1.85 0 . 2 . . . . 109 ARG HB2 . 18505 1 422 . 1 1 50 50 ARG HB3 H 1 2.34 0 . 2 . . . . 109 ARG HB3 . 18505 1 423 . 1 1 50 50 ARG HG2 H 1 1.68 0 . 2 . . . . 109 ARG QG . 18505 1 424 . 1 1 50 50 ARG HG3 H 1 1.68 0 . 2 . . . . 109 ARG QG . 18505 1 425 . 1 1 50 50 ARG HD2 H 1 3.33 0 . 2 . . . . 109 ARG QD . 18505 1 426 . 1 1 50 50 ARG HD3 H 1 3.33 0 . 2 . . . . 109 ARG QD . 18505 1 427 . 1 1 50 50 ARG C C 13 175.67 0 . . . . . . 109 ARG CO . 18505 1 428 . 1 1 50 50 ARG CA C 13 56.18 0.12 . 1 . . . . 109 ARG CA . 18505 1 429 . 1 1 50 50 ARG CB C 13 32.47 0.02 . 1 . . . . 109 ARG CB . 18505 1 430 . 1 1 50 50 ARG CG C 13 27.43 0 . 1 . . . . 109 ARG CG . 18505 1 431 . 1 1 50 50 ARG CD C 13 41.81 0 . 1 . . . . 109 ARG CD . 18505 1 432 . 1 1 50 50 ARG N N 15 122.04 0.02 . 1 . . . . 109 ARG N . 18505 1 433 . 1 1 51 51 ARG H H 1 8.38 0.01 . 1 . . . . 110 ARG H . 18505 1 434 . 1 1 51 51 ARG HA H 1 4.42 0 . 1 . . . . 110 ARG HA . 18505 1 435 . 1 1 51 51 ARG HB2 H 1 1.76 0 . 2 . . . . 110 ARG HB2 . 18505 1 436 . 1 1 51 51 ARG HB3 H 1 1.86 0 . 2 . . . . 110 ARG HB3 . 18505 1 437 . 1 1 51 51 ARG HD2 H 1 3.21 0 . 2 . . . . 110 ARG QD . 18505 1 438 . 1 1 51 51 ARG HD3 H 1 3.21 0 . 2 . . . . 110 ARG QD . 18505 1 439 . 1 1 51 51 ARG C C 13 175.67 0 . . . . . . 110 ARG CO . 18505 1 440 . 1 1 51 51 ARG CA C 13 56.2 0 . 1 . . . . 110 ARG CA . 18505 1 441 . 1 1 51 51 ARG CB C 13 31.58 0.03 . 1 . . . . 110 ARG CB . 18505 1 442 . 1 1 51 51 ARG CG C 13 27.21 0 . 1 . . . . 110 ARG CG . 18505 1 443 . 1 1 51 51 ARG N N 15 121.47 0.06 . 1 . . . . 110 ARG N . 18505 1 444 . 1 1 52 52 SER H H 1 8.34 0.01 . 1 . . . . 111 SER H . 18505 1 445 . 1 1 52 52 SER HA H 1 4.78 0.01 . 1 . . . . 111 SER HA . 18505 1 446 . 1 1 52 52 SER HB2 H 1 3.7 0 . 2 . . . . 111 SER HB2 . 18505 1 447 . 1 1 52 52 SER HB3 H 1 3.9 0 . 2 . . . . 111 SER HB3 . 18505 1 448 . 1 1 52 52 SER CA C 13 57.85 0 . 1 . . . . 111 SER CA . 18505 1 449 . 1 1 52 52 SER CB C 13 64.64 0.02 . 1 . . . . 111 SER CB . 18505 1 450 . 1 1 52 52 SER N N 15 116.34 0.04 . 1 . . . . 111 SER N . 18505 1 451 . 1 1 53 53 PHE H H 1 8.46 0.01 . 1 . . . . 112 PHE H . 18505 1 452 . 1 1 53 53 PHE HA H 1 4.85 0.01 . 1 . . . . 112 PHE HA . 18505 1 453 . 1 1 53 53 PHE HB2 H 1 3.07 0.03 . 2 . . . . 112 PHE HB2 . 18505 1 454 . 1 1 53 53 PHE HB3 H 1 3.14 0.02 . 2 . . . . 112 PHE HB3 . 18505 1 455 . 1 1 53 53 PHE HD1 H 1 7.18 0 . 3 . . . . 112 PHE QD . 18505 1 456 . 1 1 53 53 PHE HD2 H 1 7.18 0 . 3 . . . . 112 PHE QD . 18505 1 457 . 1 1 53 53 PHE C C 13 173.95 0 . . . . . . 112 PHE CO . 18505 1 458 . 1 1 53 53 PHE CA C 13 56.64 0.15 . 1 . . . . 112 PHE CA . 18505 1 459 . 1 1 53 53 PHE CB C 13 40.68 0.07 . 1 . . . . 112 PHE CB . 18505 1 460 . 1 1 53 53 PHE N N 15 121.29 0.04 . 1 . . . . 112 PHE N . 18505 1 461 . 1 1 54 54 LYS H H 1 8.33 0.01 . 1 . . . . 113 LYS H . 18505 1 462 . 1 1 54 54 LYS HA H 1 4.83 0.01 . 1 . . . . 113 LYS HA . 18505 1 463 . 1 1 54 54 LYS HB2 H 1 1.67 0.01 . 2 . . . . 113 LYS HB2 . 18505 1 464 . 1 1 54 54 LYS HB3 H 1 1.77 0.02 . 2 . . . . 113 LYS HB3 . 18505 1 465 . 1 1 54 54 LYS HG2 H 1 1.35 0.01 . 2 . . . . 113 LYS QG . 18505 1 466 . 1 1 54 54 LYS HG3 H 1 1.35 0.01 . 2 . . . . 113 LYS QG . 18505 1 467 . 1 1 54 54 LYS HE2 H 1 2.94 0 . 2 . . . . 113 LYS QE . 18505 1 468 . 1 1 54 54 LYS HE3 H 1 2.94 0 . 2 . . . . 113 LYS QE . 18505 1 469 . 1 1 54 54 LYS C C 13 176.82 0 . . . . . . 113 LYS CO . 18505 1 470 . 1 1 54 54 LYS CA C 13 55.43 0.07 . 1 . . . . 113 LYS CA . 18505 1 471 . 1 1 54 54 LYS CB C 13 33.65 0.14 . 1 . . . . 113 LYS CB . 18505 1 472 . 1 1 54 54 LYS CG C 13 24.75 0.11 . 1 . . . . 113 LYS CG . 18505 1 473 . 1 1 54 54 LYS CD C 13 29.25 0 . 1 . . . . 113 LYS CD . 18505 1 474 . 1 1 54 54 LYS CE C 13 42.21 0 . 1 . . . . 113 LYS CE . 18505 1 475 . 1 1 54 54 LYS N N 15 122.33 0.04 . 1 . . . . 113 LYS N . 18505 1 476 . 1 1 55 55 THR H H 1 8.51 0.01 . 1 . . . . 114 THR H . 18505 1 477 . 1 1 55 55 THR HA H 1 4.65 0.01 . 1 . . . . 114 THR HA . 18505 1 478 . 1 1 55 55 THR HB H 1 4.57 0.01 . 1 . . . . 114 THR HB . 18505 1 479 . 1 1 55 55 THR HG1 H 1 3.85 0 . 1 . . . . 114 THR HG1 . 18505 1 480 . 1 1 55 55 THR HG21 H 1 1.28 0 . . . . . . 114 THR QG2 . 18505 1 481 . 1 1 55 55 THR HG22 H 1 1.28 0 . . . . . . 114 THR QG2 . 18505 1 482 . 1 1 55 55 THR HG23 H 1 1.28 0 . . . . . . 114 THR QG2 . 18505 1 483 . 1 1 55 55 THR CB C 13 68.44 0.05 . 1 . . . . 114 THR CB . 18505 1 484 . 1 1 55 55 THR N N 15 116.08 0.04 . 1 . . . . 114 THR N . 18505 1 485 . 1 1 56 56 PRO HA H 1 4.39 0 . 1 . . . . 115 PRO HA . 18505 1 486 . 1 1 56 56 PRO HB2 H 1 2.4 0.01 . 2 . . . . 115 PRO HB2 . 18505 1 487 . 1 1 56 56 PRO HB3 H 1 1.97 0.01 . 2 . . . . 115 PRO HB3 . 18505 1 488 . 1 1 56 56 PRO HG2 H 1 2.13 0 . 2 . . . . 115 PRO HG2 . 18505 1 489 . 1 1 56 56 PRO HG3 H 1 2.05 0 . 2 . . . . 115 PRO HG3 . 18505 1 490 . 1 1 56 56 PRO C C 13 176.85 0 . . . . . . 115 PRO CO . 18505 1 491 . 1 1 56 56 PRO CA C 13 65.18 0.1 . 1 . . . . 115 PRO CA . 18505 1 492 . 1 1 56 56 PRO CB C 13 31.59 0.06 . 1 . . . . 115 PRO CB . 18505 1 493 . 1 1 56 56 PRO CG C 13 27.72 0 . 1 . . . . 115 PRO CG . 18505 1 494 . 1 1 57 57 ASP H H 1 7.99 0.01 . 1 . . . . 116 ASP H . 18505 1 495 . 1 1 57 57 ASP HA H 1 4.6 0 . 1 . . . . 116 ASP HA . 18505 1 496 . 1 1 57 57 ASP HB2 H 1 2.84 0.01 . 2 . . . . 116 ASP HB2 . 18505 1 497 . 1 1 57 57 ASP HB3 H 1 2.68 0.01 . 2 . . . . 116 ASP HB3 . 18505 1 498 . 1 1 57 57 ASP C C 13 176.77 0 . . . . . . 116 ASP CO . 18505 1 499 . 1 1 57 57 ASP CA C 13 53.47 0.25 . 1 . . . . 116 ASP CA . 18505 1 500 . 1 1 57 57 ASP CB C 13 40.3 0.09 . 1 . . . . 116 ASP CB . 18505 1 501 . 1 1 57 57 ASP N N 15 114.38 0.03 . 1 . . . . 116 ASP N . 18505 1 502 . 1 1 58 58 GLY H H 1 8.26 0.01 . 1 . . . . 117 GLY H . 18505 1 503 . 1 1 58 58 GLY HA2 H 1 3.7 0.01 . 2 . . . . 117 GLY HA2 . 18505 1 504 . 1 1 58 58 GLY HA3 H 1 4.17 0 . 2 . . . . 117 GLY HA3 . 18505 1 505 . 1 1 58 58 GLY C C 13 174.53 0 . . . . . . 117 GLY CO . 18505 1 506 . 1 1 58 58 GLY CA C 13 45.7 0.03 . 1 . . . . 117 GLY CA . 18505 1 507 . 1 1 58 58 GLY N N 15 108.54 0.03 . 1 . . . . 117 GLY N . 18505 1 508 . 1 1 59 59 GLN H H 1 7.82 0.01 . 1 . . . . 118 GLN H . 18505 1 509 . 1 1 59 59 GLN HA H 1 4.36 0 . 1 . . . . 118 GLN HA . 18505 1 510 . 1 1 59 59 GLN HB2 H 1 2.12 0.03 . 2 . . . . 118 GLN HB2 . 18505 1 511 . 1 1 59 59 GLN HB3 H 1 1.99 0 . 2 . . . . 118 GLN HB3 . 18505 1 512 . 1 1 59 59 GLN HG2 H 1 2.22 0 . 2 . . . . 118 GLN QG . 18505 1 513 . 1 1 59 59 GLN HG3 H 1 2.22 0 . 2 . . . . 118 GLN QG . 18505 1 514 . 1 1 59 59 GLN CA C 13 55.53 0.03 . 1 . . . . 118 GLN CA . 18505 1 515 . 1 1 59 59 GLN CB C 13 29.55 0.19 . 1 . . . . 118 GLN CB . 18505 1 516 . 1 1 59 59 GLN CG C 13 34.07 0 . 1 . . . . 118 GLN CG . 18505 1 517 . 1 1 59 59 GLN N N 15 119.47 0.05 . 1 . . . . 118 GLN N . 18505 1 518 . 1 1 60 60 GLN H H 1 8.5 0.01 . 1 . . . . 119 GLN H . 18505 1 519 . 1 1 60 60 GLN HA H 1 4.55 0 . 1 . . . . 119 GLN HA . 18505 1 520 . 1 1 60 60 GLN HB2 H 1 2.04 0.03 . 2 . . . . 119 GLN HB2 . 18505 1 521 . 1 1 60 60 GLN HB3 H 1 1.91 0 . 2 . . . . 119 GLN HB3 . 18505 1 522 . 1 1 60 60 GLN HG2 H 1 2.24 0.01 . 2 . . . . 119 GLN QG . 18505 1 523 . 1 1 60 60 GLN HG3 H 1 2.24 0.01 . 2 . . . . 119 GLN QG . 18505 1 524 . 1 1 60 60 GLN C C 13 175.61 0 . . . . . . 119 GLN CO . 18505 1 525 . 1 1 60 60 GLN CA C 13 55.64 0.06 . 1 . . . . 119 GLN CA . 18505 1 526 . 1 1 60 60 GLN CB C 13 29.64 0.13 . 1 . . . . 119 GLN CB . 18505 1 527 . 1 1 60 60 GLN CG C 13 33.87 0.05 . 1 . . . . 119 GLN CG . 18505 1 528 . 1 1 60 60 GLN N N 15 121.05 0.02 . 1 . . . . 119 GLN N . 18505 1 529 . 1 1 61 61 LYS H H 1 8.64 0.01 . 1 . . . . 120 LYS H . 18505 1 530 . 1 1 61 61 LYS HA H 1 4.43 0 . 1 . . . . 120 LYS HA . 18505 1 531 . 1 1 61 61 LYS HB2 H 1 1.59 0.03 . 2 . . . . 120 LYS HB2 . 18505 1 532 . 1 1 61 61 LYS HB3 H 1 1.38 0.05 . 2 . . . . 120 LYS HB3 . 18505 1 533 . 1 1 61 61 LYS HG2 H 1 1.32 0 . 2 . . . . 120 LYS HG2 . 18505 1 534 . 1 1 61 61 LYS HG3 H 1 1.28 0 . 2 . . . . 120 LYS HG3 . 18505 1 535 . 1 1 61 61 LYS C C 13 174.21 0 . . . . . . 120 LYS CO . 18505 1 536 . 1 1 61 61 LYS CA C 13 55.32 0.09 . 1 . . . . 120 LYS CA . 18505 1 537 . 1 1 61 61 LYS CB C 13 33.88 0.1 . 1 . . . . 120 LYS CB . 18505 1 538 . 1 1 61 61 LYS CG C 13 24.61 0.13 . 1 . . . . 120 LYS CG . 18505 1 539 . 1 1 61 61 LYS CD C 13 28.93 0 . 1 . . . . 120 LYS CD . 18505 1 540 . 1 1 61 61 LYS CE C 13 42.38 0 . 1 . . . . 120 LYS CE . 18505 1 541 . 1 1 61 61 LYS N N 15 124.89 0.07 . 1 . . . . 120 LYS N . 18505 1 542 . 1 1 62 62 GLN H H 1 8.45 0.01 . 1 . . . . 121 GLN H . 18505 1 543 . 1 1 62 62 GLN HA H 1 4.43 0 . 1 . . . . 121 GLN HA . 18505 1 544 . 1 1 62 62 GLN HB2 H 1 1.94 0 . 2 . . . . 121 GLN HB2 . 18505 1 545 . 1 1 62 62 GLN HB3 H 1 2.08 0 . 2 . . . . 121 GLN HB3 . 18505 1 546 . 1 1 62 62 GLN HG2 H 1 2.51 0.21 . 2 . . . . 121 GLN QG . 18505 1 547 . 1 1 62 62 GLN HG3 H 1 2.51 0.21 . 2 . . . . 121 GLN QG . 18505 1 548 . 1 1 62 62 GLN C C 13 175.64 0 . . . . . . 121 GLN CO . 18505 1 549 . 1 1 62 62 GLN CA C 13 55.58 0 . 1 . . . . 121 GLN CA . 18505 1 550 . 1 1 62 62 GLN CB C 13 29.7 0 . 1 . . . . 121 GLN CB . 18505 1 551 . 1 1 62 62 GLN CG C 13 33.73 0.17 . 1 . . . . 121 GLN CG . 18505 1 552 . 1 1 62 62 GLN N N 15 122.04 0.05 . 1 . . . . 121 GLN N . 18505 1 553 . 1 1 63 63 LEU H H 1 8.36 0.01 . 1 . . . . 122 LEU H . 18505 1 554 . 1 1 63 63 LEU HA H 1 4.58 0.01 . 1 . . . . 122 LEU HA . 18505 1 555 . 1 1 63 63 LEU HB2 H 1 1.63 0.04 . 2 . . . . 122 LEU HB2 . 18505 1 556 . 1 1 63 63 LEU HB3 H 1 1.46 0.03 . 2 . . . . 122 LEU HB3 . 18505 1 557 . 1 1 63 63 LEU HG H 1 1.49 0 . 1 . . . . 122 LEU HG . 18505 1 558 . 1 1 63 63 LEU HD11 H 1 0.9 0 . . . . . . 122 LEU MD1 . 18505 1 559 . 1 1 63 63 LEU HD12 H 1 0.9 0 . . . . . . 122 LEU MD1 . 18505 1 560 . 1 1 63 63 LEU HD13 H 1 0.9 0 . . . . . . 122 LEU MD1 . 18505 1 561 . 1 1 63 63 LEU HD21 H 1 0.86 0 . 2 . . . . 122 LEU MD2 . 18505 1 562 . 1 1 63 63 LEU HD22 H 1 0.86 0 . 2 . . . . 122 LEU MD2 . 18505 1 563 . 1 1 63 63 LEU HD23 H 1 0.86 0 . 2 . . . . 122 LEU MD2 . 18505 1 564 . 1 1 63 63 LEU C C 13 176.9 0 . . . . . . 122 LEU CO . 18505 1 565 . 1 1 63 63 LEU CA C 13 53.99 0.1 . 1 . . . . 122 LEU CA . 18505 1 566 . 1 1 63 63 LEU CB C 13 43.36 0.11 . 1 . . . . 122 LEU CB . 18505 1 567 . 1 1 63 63 LEU CG C 13 26.36 0.76 . 1 . . . . 122 LEU CG . 18505 1 568 . 1 1 63 63 LEU CD1 C 13 23.13 0 . . . . . . 122 LEU CD1 . 18505 1 569 . 1 1 63 63 LEU N N 15 125.23 0.07 . 1 . . . . 122 LEU N . 18505 1 570 . 1 1 64 64 LEU H H 1 8.39 0.01 . 1 . . . . 123 LEU H . 18505 1 571 . 1 1 64 64 LEU HA H 1 4.56 0 . 1 . . . . 123 LEU HA . 18505 1 572 . 1 1 64 64 LEU HB2 H 1 1.64 0.09 . 2 . . . . 123 LEU QB . 18505 1 573 . 1 1 64 64 LEU HB3 H 1 1.64 0.09 . 2 . . . . 123 LEU QB . 18505 1 574 . 1 1 64 64 LEU CB C 13 40.42 0 . 1 . . . . 123 LEU CB . 18505 1 575 . 1 1 64 64 LEU N N 15 123.81 0.03 . 1 . . . . 123 LEU N . 18505 1 576 . 1 1 65 65 PRO HA H 1 4.03 0.01 . 1 . . . . 124 PRO HA . 18505 1 577 . 1 1 65 65 PRO HB2 H 1 1.51 0 . 2 . . . . 124 PRO HB2 . 18505 1 578 . 1 1 65 65 PRO HB3 H 1 1.59 0 . 2 . . . . 124 PRO HB3 . 18505 1 579 . 1 1 65 65 PRO C C 13 176.33 0 . . . . . . 124 PRO CO . 18505 1 580 . 1 1 65 65 PRO CA C 13 61.96 0.12 . 1 . . . . 124 PRO CA . 18505 1 581 . 1 1 65 65 PRO CB C 13 30.06 0 . 1 . . . . 124 PRO CB . 18505 1 582 . 1 1 65 65 PRO CG C 13 26.27 0 . 1 . . . . 124 PRO CG . 18505 1 583 . 1 1 66 66 ARG H H 1 8.24 0.02 . 1 . . . . 125 ARG H . 18505 1 584 . 1 1 66 66 ARG HA H 1 4.1 0.01 . 1 . . . . 125 ARG HA . 18505 1 585 . 1 1 66 66 ARG HB2 H 1 1.94 0 . 2 . . . . 125 ARG QB . 18505 1 586 . 1 1 66 66 ARG HB3 H 1 1.94 0 . 2 . . . . 125 ARG QB . 18505 1 587 . 1 1 66 66 ARG HD2 H 1 2.96 0 . 2 . . . . 125 ARG QD . 18505 1 588 . 1 1 66 66 ARG HD3 H 1 2.96 0 . 2 . . . . 125 ARG QD . 18505 1 589 . 1 1 66 66 ARG C C 13 173.73 0 . . . . . . 125 ARG CO . 18505 1 590 . 1 1 66 66 ARG CA C 13 56.52 0.17 . 1 . . . . 125 ARG CA . 18505 1 591 . 1 1 66 66 ARG CB C 13 29.3 0 . 1 . . . . 125 ARG CB . 18505 1 592 . 1 1 66 66 ARG CG C 13 26.61 0 . 1 . . . . 125 ARG CG . 18505 1 593 . 1 1 66 66 ARG CD C 13 43.98 0 . 1 . . . . 125 ARG CD . 18505 1 594 . 1 1 66 66 ARG N N 15 123.53 0.06 . 1 . . . . 125 ARG N . 18505 1 595 . 1 1 67 67 TRP H H 1 9.24 0.01 . 1 . . . . 126 TRP H . 18505 1 596 . 1 1 67 67 TRP HA H 1 4.62 0.02 . 1 . . . . 126 TRP HA . 18505 1 597 . 1 1 67 67 TRP HB2 H 1 2.85 0 . 2 . . . . 126 TRP HB2 . 18505 1 598 . 1 1 67 67 TRP HB3 H 1 2.57 0 . 2 . . . . 126 TRP HB3 . 18505 1 599 . 1 1 67 67 TRP HD1 H 1 7.02 0 . 1 . . . . 126 TRP HD1 . 18505 1 600 . 1 1 67 67 TRP C C 13 173.92 0 . . . . . . 126 TRP CO . 18505 1 601 . 1 1 67 67 TRP CA C 13 54.98 0.06 . 1 . . . . 126 TRP CA . 18505 1 602 . 1 1 67 67 TRP CB C 13 31.4 0.03 . 1 . . . . 126 TRP CB . 18505 1 603 . 1 1 67 67 TRP N N 15 128.74 0.08 . 1 . . . . 126 TRP N . 18505 1 604 . 1 1 68 68 TYR H H 1 8.89 0.01 . 1 . . . . 127 TYR H . 18505 1 605 . 1 1 68 68 TYR HA H 1 4.46 0.01 . 1 . . . . 127 TYR HA . 18505 1 606 . 1 1 68 68 TYR HB2 H 1 2.57 0.01 . 2 . . . . 127 TYR HB2 . 18505 1 607 . 1 1 68 68 TYR HB3 H 1 2.81 0 . 2 . . . . 127 TYR HB3 . 18505 1 608 . 1 1 68 68 TYR C C 13 172.2 0 . . . . . . 127 TYR CO . 18505 1 609 . 1 1 68 68 TYR CA C 13 57.68 0.13 . 1 . . . . 127 TYR CA . 18505 1 610 . 1 1 68 68 TYR CB C 13 40.47 0 . 1 . . . . 127 TYR CB . 18505 1 611 . 1 1 68 68 TYR N N 15 122.52 0.02 . 1 . . . . 127 TYR N . 18505 1 612 . 1 1 69 69 PHE H H 1 6.61 0.03 . 1 . . . . 128 PHE H . 18505 1 613 . 1 1 69 69 PHE HA H 1 4.61 0 . 1 . . . . 128 PHE HA . 18505 1 614 . 1 1 69 69 PHE HB2 H 1 3.5 0.02 . 2 . . . . 128 PHE HB2 . 18505 1 615 . 1 1 69 69 PHE HB3 H 1 2.73 0 . 2 . . . . 128 PHE HB3 . 18505 1 616 . 1 1 69 69 PHE HD1 H 1 7.75 0 . 3 . . . . 128 PHE QD . 18505 1 617 . 1 1 69 69 PHE HD2 H 1 7.75 0 . 3 . . . . 128 PHE QD . 18505 1 618 . 1 1 69 69 PHE C C 13 177.31 0 . . . . . . 128 PHE CO . 18505 1 619 . 1 1 69 69 PHE CA C 13 59.64 0 . 1 . . . . 128 PHE CA . 18505 1 620 . 1 1 69 69 PHE CB C 13 39.47 0.1 . 1 . . . . 128 PHE CB . 18505 1 621 . 1 1 69 69 PHE N N 15 117.22 0.05 . 1 . . . . 128 PHE N . 18505 1 622 . 1 1 70 70 TYR H H 1 8.82 0.01 . 1 . . . . 129 TYR H . 18505 1 623 . 1 1 70 70 TYR HB2 H 1 2.89 0 . 2 . . . . 129 TYR QB . 18505 1 624 . 1 1 70 70 TYR HB3 H 1 2.89 0 . 2 . . . . 129 TYR QB . 18505 1 625 . 1 1 70 70 TYR C C 13 175.32 0 . . . . . . 129 TYR CO . 18505 1 626 . 1 1 70 70 TYR CA C 13 57.02 0 . 1 . . . . 129 TYR CA . 18505 1 627 . 1 1 70 70 TYR CB C 13 44.26 0.01 . 1 . . . . 129 TYR CB . 18505 1 628 . 1 1 70 70 TYR N N 15 125.08 0.03 . 1 . . . . 129 TYR N . 18505 1 629 . 1 1 71 71 TYR H H 1 9.21 0.01 . 1 . . . . 130 TYR H . 18505 1 630 . 1 1 71 71 TYR HD1 H 1 6.69 0 . 3 . . . . 130 TYR QD . 18505 1 631 . 1 1 71 71 TYR HD2 H 1 6.69 0 . 3 . . . . 130 TYR QD . 18505 1 632 . 1 1 71 71 TYR C C 13 175.29 0 . . . . . . 130 TYR CO . 18505 1 633 . 1 1 71 71 TYR CA C 13 57.07 0 . 1 . . . . 130 TYR CA . 18505 1 634 . 1 1 71 71 TYR CB C 13 39.17 0.12 . 1 . . . . 130 TYR CB . 18505 1 635 . 1 1 71 71 TYR N N 15 123.38 0.02 . 1 . . . . 130 TYR N . 18505 1 636 . 1 1 72 72 LEU H H 1 8.17 0.01 . 1 . . . . 131 LEU H . 18505 1 637 . 1 1 72 72 LEU HA H 1 4.49 0.01 . 1 . . . . 131 LEU HA . 18505 1 638 . 1 1 72 72 LEU HB2 H 1 2.16 0.01 . 2 . . . . 131 LEU HB2 . 18505 1 639 . 1 1 72 72 LEU HB3 H 1 1.49 0.02 . 2 . . . . 131 LEU HB3 . 18505 1 640 . 1 1 72 72 LEU HG H 1 1.82 0.01 . 1 . . . . 131 LEU HG . 18505 1 641 . 1 1 72 72 LEU C C 13 176.57 0 . . . . . . 131 LEU CO . 18505 1 642 . 1 1 72 72 LEU CA C 13 57.23 0.02 . 1 . . . . 131 LEU CA . 18505 1 643 . 1 1 72 72 LEU CB C 13 44.48 0.07 . 1 . . . . 131 LEU CB . 18505 1 644 . 1 1 72 72 LEU CG C 13 27.43 0 . 1 . . . . 131 LEU CG . 18505 1 645 . 1 1 72 72 LEU CD1 C 13 25.54 0 . . . . . . 131 LEU CD1 . 18505 1 646 . 1 1 72 72 LEU N N 15 128.41 0.04 . 1 . . . . 131 LEU N . 18505 1 647 . 1 1 73 73 GLY H H 1 9.86 0.04 . 1 . . . . 132 GLY H . 18505 1 648 . 1 1 73 73 GLY HA2 H 1 4.68 0 . 2 . . . . 132 GLY HA2 . 18505 1 649 . 1 1 73 73 GLY HA3 H 1 4.52 0.01 . 2 . . . . 132 GLY HA3 . 18505 1 650 . 1 1 73 73 GLY C C 13 173.89 0 . . . . . . 132 GLY CO . 18505 1 651 . 1 1 73 73 GLY CA C 13 45.45 0.03 . 1 . . . . 132 GLY CA . 18505 1 652 . 1 1 73 73 GLY N N 15 115.44 0.09 . 1 . . . . 132 GLY N . 18505 1 653 . 1 1 74 74 THR H H 1 8.39 0.01 . 1 . . . . 133 THR H . 18505 1 654 . 1 1 74 74 THR HA H 1 5.18 0.01 . 1 . . . . 133 THR HA . 18505 1 655 . 1 1 74 74 THR HB H 1 4.53 0.01 . 1 . . . . 133 THR HB . 18505 1 656 . 1 1 74 74 THR HG21 H 1 1.32 0.01 . . . . . . 133 THR HG21 . 18505 1 657 . 1 1 74 74 THR HG22 H 1 1.32 0.01 . . . . . . 133 THR HG22 . 18505 1 658 . 1 1 74 74 THR HG23 H 1 1.32 0.01 . . . . . . 133 THR HG23 . 18505 1 659 . 1 1 74 74 THR C C 13 174.81 0 . . . . . . 133 THR CO . 18505 1 660 . 1 1 74 74 THR CA C 13 59.96 0.06 . 1 . . . . 133 THR CA . 18505 1 661 . 1 1 74 74 THR CB C 13 73.67 0.1 . 1 . . . . 133 THR CB . 18505 1 662 . 1 1 74 74 THR CG2 C 13 21.68 0 . 1 . . . . 133 THR CG2 . 18505 1 663 . 1 1 74 74 THR N N 15 110.27 0.04 . 1 . . . . 133 THR N . 18505 1 664 . 1 1 75 75 GLY H H 1 9.31 0.03 . 1 . . . . 134 GLY H . 18505 1 665 . 1 1 75 75 GLY N N 15 107.59 0.05 . 1 . . . . 134 GLY N . 18505 1 666 . 1 1 76 76 PRO HA H 1 3.31 0.01 . 1 . . . . 135 PRO HA . 18505 1 667 . 1 1 76 76 PRO HB2 H 1 1.64 0.01 . 2 . . . . 135 PRO QB . 18505 1 668 . 1 1 76 76 PRO HB3 H 1 1.64 0.01 . 2 . . . . 135 PRO QB . 18505 1 669 . 1 1 76 76 PRO HG2 H 1 0.69 0 . 2 . . . . 135 PRO QG . 18505 1 670 . 1 1 76 76 PRO HG3 H 1 0.69 0 . 2 . . . . 135 PRO QG . 18505 1 671 . 1 1 76 76 PRO C C 13 176.39 0 . . . . . . 135 PRO CO . 18505 1 672 . 1 1 76 76 PRO CA C 13 64.11 0.11 . 1 . . . . 135 PRO CA . 18505 1 673 . 1 1 76 76 PRO CB C 13 32.05 0.21 . 1 . . . . 135 PRO CB . 18505 1 674 . 1 1 76 76 PRO CG C 13 25.95 0 . 1 . . . . 135 PRO CG . 18505 1 675 . 1 1 77 77 HIS H H 1 7.64 0.01 . 1 . . . . 136 HIS H . 18505 1 676 . 1 1 77 77 HIS HA H 1 4.83 0.01 . 1 . . . . 136 HIS HA . 18505 1 677 . 1 1 77 77 HIS HB2 H 1 1.78 0.02 . 2 . . . . 136 HIS HB2 . 18505 1 678 . 1 1 77 77 HIS HB3 H 1 2.88 0.01 . 2 . . . . 136 HIS HB3 . 18505 1 679 . 1 1 77 77 HIS HD2 H 1 6.24 0 . 1 . . . . 136 HIS HD2 . 18505 1 680 . 1 1 77 77 HIS CA C 13 53.95 0.08 . 1 . . . . 136 HIS CA . 18505 1 681 . 1 1 77 77 HIS CB C 13 28.59 0.11 . 1 . . . . 136 HIS CB . 18505 1 682 . 1 1 77 77 HIS N N 15 115.3 0.06 . 1 . . . . 136 HIS N . 18505 1 683 . 1 1 78 78 ALA H H 1 6.75 0.01 . 1 . . . . 137 ALA H . 18505 1 684 . 1 1 78 78 ALA HA H 1 3.72 0.01 . 1 . . . . 137 ALA HA . 18505 1 685 . 1 1 78 78 ALA HB1 H 1 1.3 0.02 . 1 . . . . 137 ALA HB . 18505 1 686 . 1 1 78 78 ALA HB2 H 1 1.3 0.02 . 1 . . . . 137 ALA HB . 18505 1 687 . 1 1 78 78 ALA HB3 H 1 1.3 0.02 . 1 . . . . 137 ALA HB . 18505 1 688 . 1 1 78 78 ALA C C 13 177.31 0 . . . . . . 137 ALA CO . 18505 1 689 . 1 1 78 78 ALA CA C 13 55.51 0.04 . 1 . . . . 137 ALA CA . 18505 1 690 . 1 1 78 78 ALA CB C 13 18.79 0.02 . 1 . . . . 137 ALA CB . 18505 1 691 . 1 1 78 78 ALA N N 15 123.61 0.04 . 1 . . . . 137 ALA N . 18505 1 692 . 1 1 79 79 GLY H H 1 8.42 0.01 . 1 . . . . 138 GLY H . 18505 1 693 . 1 1 79 79 GLY HA2 H 1 4.14 0.01 . 2 . . . . 138 GLY HA2 . 18505 1 694 . 1 1 79 79 GLY HA3 H 1 3.62 0 . 2 . . . . 138 GLY HA3 . 18505 1 695 . 1 1 79 79 GLY C C 13 174.53 0 . . . . . . 138 GLY CO . 18505 1 696 . 1 1 79 79 GLY CA C 13 44.8 0.12 . 1 . . . . 138 GLY CA . 18505 1 697 . 1 1 79 79 GLY N N 15 101.34 0.03 . 1 . . . . 138 GLY N . 18505 1 698 . 1 1 80 80 ALA H H 1 7.41 0.01 . 1 . . . . 139 ALA H . 18505 1 699 . 1 1 80 80 ALA HA H 1 4.38 0.01 . 1 . . . . 139 ALA HA . 18505 1 700 . 1 1 80 80 ALA HB1 H 1 1.65 0.01 . 1 . . . . 139 ALA HB . 18505 1 701 . 1 1 80 80 ALA HB2 H 1 1.65 0.01 . 1 . . . . 139 ALA HB . 18505 1 702 . 1 1 80 80 ALA HB3 H 1 1.65 0.01 . 1 . . . . 139 ALA HB . 18505 1 703 . 1 1 80 80 ALA C C 13 177.56 0 . . . . . . 139 ALA CO . 18505 1 704 . 1 1 80 80 ALA CA C 13 51.94 0.11 . 1 . . . . 139 ALA CA . 18505 1 705 . 1 1 80 80 ALA CB C 13 20.31 0.02 . 1 . . . . 139 ALA CB . 18505 1 706 . 1 1 80 80 ALA N N 15 123.2 0.08 . 1 . . . . 139 ALA N . 18505 1 707 . 1 1 81 81 SER H H 1 8.41 0.01 . 1 . . . . 140 SER H . 18505 1 708 . 1 1 81 81 SER HA H 1 4.31 0.01 . 1 . . . . 140 SER HA . 18505 1 709 . 1 1 81 81 SER HB2 H 1 3.64 0.05 . 2 . . . . 140 SER HB2 . 18505 1 710 . 1 1 81 81 SER HB3 H 1 3.77 0 . 2 . . . . 140 SER HB3 . 18505 1 711 . 1 1 81 81 SER C C 13 171.39 0 . . . . . . 140 SER CO . 18505 1 712 . 1 1 81 81 SER CA C 13 57.32 0 . 1 . . . . 140 SER CA . 18505 1 713 . 1 1 81 81 SER CB C 13 63.8 0.09 . 1 . . . . 140 SER CB . 18505 1 714 . 1 1 81 81 SER N N 15 118.9 0.06 . 1 . . . . 140 SER N . 18505 1 715 . 1 1 82 82 TYR H H 1 8.51 0.01 . 1 . . . . 141 TYR H . 18505 1 716 . 1 1 82 82 TYR HD1 H 1 6.82 0 . 3 . . . . 141 TYR QD . 18505 1 717 . 1 1 82 82 TYR HD2 H 1 6.82 0 . 3 . . . . 141 TYR QD . 18505 1 718 . 1 1 82 82 TYR CB C 13 38.68 0 . 1 . . . . 141 TYR CB . 18505 1 719 . 1 1 82 82 TYR N N 15 123.03 0.02 . 1 . . . . 141 TYR N . 18505 1 720 . 1 1 83 83 GLY HA2 H 1 3.86 0 . . . . . . 142 GLY HA2 . 18505 1 721 . 1 1 83 83 GLY HA3 H 1 2.71 0 . 2 . . . . 142 GLY HA3 . 18505 1 722 . 1 1 83 83 GLY C C 13 174.36 0 . . . . . . 142 GLY CO . 18505 1 723 . 1 1 83 83 GLY CA C 13 44.78 0 . 1 . . . . 142 GLY CA . 18505 1 724 . 1 1 84 84 ASP H H 1 7.51 0.01 . 1 . . . . 143 ASP H . 18505 1 725 . 1 1 84 84 ASP HA H 1 4.31 0.01 . 1 . . . . 143 ASP HA . 18505 1 726 . 1 1 84 84 ASP HB2 H 1 2.59 0.03 . 2 . . . . 143 ASP HB2 . 18505 1 727 . 1 1 84 84 ASP HB3 H 1 2.18 0 . 2 . . . . 143 ASP HB3 . 18505 1 728 . 1 1 84 84 ASP C C 13 177.29 0 . . . . . . 143 ASP CO . 18505 1 729 . 1 1 84 84 ASP CA C 13 55.63 0.05 . 1 . . . . 143 ASP CA . 18505 1 730 . 1 1 84 84 ASP CB C 13 40.88 0.02 . 1 . . . . 143 ASP CB . 18505 1 731 . 1 1 84 84 ASP N N 15 122.98 0.02 . 1 . . . . 143 ASP N . 18505 1 732 . 1 1 85 85 SER H H 1 8.69 0.01 . 1 . . . . 144 SER H . 18505 1 733 . 1 1 85 85 SER HA H 1 4.54 0.08 . 1 . . . . 144 SER HA . 18505 1 734 . 1 1 85 85 SER HB2 H 1 3.97 0.03 . 2 . . . . 144 SER HB2 . 18505 1 735 . 1 1 85 85 SER HB3 H 1 3.89 0.03 . 2 . . . . 144 SER HB3 . 18505 1 736 . 1 1 85 85 SER C C 13 173.91 0 . . . . . . 144 SER CO . 18505 1 737 . 1 1 85 85 SER CA C 13 58.39 0.05 . 1 . . . . 144 SER CA . 18505 1 738 . 1 1 85 85 SER CB C 13 62.3 0.08 . 1 . . . . 144 SER CB . 18505 1 739 . 1 1 85 85 SER N N 15 118.66 0.02 . 1 . . . . 144 SER N . 18505 1 740 . 1 1 86 86 ILE H H 1 8.53 0.01 . 1 . . . . 145 ILE H . 18505 1 741 . 1 1 86 86 ILE HA H 1 4.09 0.01 . 1 . . . . 145 ILE HA . 18505 1 742 . 1 1 86 86 ILE HB H 1 1.06 0.01 . 1 . . . . 145 ILE HB . 18505 1 743 . 1 1 86 86 ILE HG12 H 1 1.3 0 . 2 . . . . 145 ILE HG12 . 18505 1 744 . 1 1 86 86 ILE HG13 H 1 0.81 0.01 . 2 . . . . 145 ILE HG13 . 18505 1 745 . 1 1 86 86 ILE HG21 H 1 0.45 0 . . . . . . 145 ILE QG2 . 18505 1 746 . 1 1 86 86 ILE HG22 H 1 0.45 0 . . . . . . 145 ILE QG2 . 18505 1 747 . 1 1 86 86 ILE HG23 H 1 0.45 0 . . . . . . 145 ILE QG2 . 18505 1 748 . 1 1 86 86 ILE HD11 H 1 0.58 0 . . . . . . 145 ILE QD1 . 18505 1 749 . 1 1 86 86 ILE HD12 H 1 0.58 0 . . . . . . 145 ILE QD1 . 18505 1 750 . 1 1 86 86 ILE HD13 H 1 0.58 0 . . . . . . 145 ILE QD1 . 18505 1 751 . 1 1 86 86 ILE CA C 13 60.39 0.1 . 1 . . . . 145 ILE CA . 18505 1 752 . 1 1 86 86 ILE CB C 13 42.26 0.11 . 1 . . . . 145 ILE CB . 18505 1 753 . 1 1 86 86 ILE CG1 C 13 26.89 0.08 . 1 . . . . 145 ILE CG1 . 18505 1 754 . 1 1 86 86 ILE CG2 C 13 16.82 0 . 1 . . . . 145 ILE CG2 . 18505 1 755 . 1 1 86 86 ILE CD1 C 13 14.5 0 . 1 . . . . 145 ILE CD1 . 18505 1 756 . 1 1 86 86 ILE N N 15 131.51 0.05 . 1 . . . . 145 ILE N . 18505 1 757 . 1 1 87 87 GLU H H 1 8.64 0.01 . 1 . . . . 146 GLU H . 18505 1 758 . 1 1 87 87 GLU HA H 1 4.17 0.02 . 1 . . . . 146 GLU HA . 18505 1 759 . 1 1 87 87 GLU HB2 H 1 1.41 0 . 2 . . . . 146 GLU HB . 18505 1 760 . 1 1 87 87 GLU HB3 H 1 1.41 0 . 2 . . . . 146 GLU HB . 18505 1 761 . 1 1 87 87 GLU HG2 H 1 2.28 0 . 2 . . . . 146 GLU QG . 18505 1 762 . 1 1 87 87 GLU HG3 H 1 2.28 0 . 2 . . . . 146 GLU QG . 18505 1 763 . 1 1 87 87 GLU C C 13 177.36 0 . . . . . . 146 GLU CO . 18505 1 764 . 1 1 87 87 GLU CA C 13 57.89 0.52 . 1 . . . . 146 GLU CA . 18505 1 765 . 1 1 87 87 GLU CB C 13 29.27 0.1 . 1 . . . . 146 GLU CB . 18505 1 766 . 1 1 87 87 GLU CG C 13 36.19 0 . 1 . . . . 146 GLU CG . 18505 1 767 . 1 1 87 87 GLU N N 15 128.81 0.04 . 1 . . . . 146 GLU N . 18505 1 768 . 1 1 88 88 GLY H H 1 9.23 0.01 . 1 . . . . 147 GLY H . 18505 1 769 . 1 1 88 88 GLY HA2 H 1 4.07 0 . 2 . . . . 147 GLY HA2 . 18505 1 770 . 1 1 88 88 GLY HA3 H 1 3.27 0 . 2 . . . . 147 GLY HA3 . 18505 1 771 . 1 1 88 88 GLY C C 13 171.71 0 . . . . . . 147 GLY CO . 18505 1 772 . 1 1 88 88 GLY CA C 13 45.82 0.01 . 1 . . . . 147 GLY CA . 18505 1 773 . 1 1 88 88 GLY N N 15 113.61 0.05 . 1 . . . . 147 GLY N . 18505 1 774 . 1 1 89 89 VAL H H 1 7.49 0.01 . 1 . . . . 148 VAL H . 18505 1 775 . 1 1 89 89 VAL HA H 1 5.39 0.01 . 1 . . . . 148 VAL HA . 18505 1 776 . 1 1 89 89 VAL HB H 1 1.82 0.02 . 1 . . . . 148 VAL HB . 18505 1 777 . 1 1 89 89 VAL HG11 H 1 -0.2 0 . 2 . . . . 148 VAL MG1 . 18505 1 778 . 1 1 89 89 VAL HG12 H 1 -0.2 0 . 2 . . . . 148 VAL MG1 . 18505 1 779 . 1 1 89 89 VAL HG13 H 1 -0.2 0 . 2 . . . . 148 VAL MG1 . 18505 1 780 . 1 1 89 89 VAL HG21 H 1 0.49 0.02 . . . . . . 148 VAL QG2 . 18505 1 781 . 1 1 89 89 VAL HG22 H 1 0.49 0.02 . . . . . . 148 VAL QG2 . 18505 1 782 . 1 1 89 89 VAL HG23 H 1 0.49 0.02 . . . . . . 148 VAL QG2 . 18505 1 783 . 1 1 89 89 VAL C C 13 175.92 0 . . . . . . 148 VAL CO . 18505 1 784 . 1 1 89 89 VAL CA C 13 60.97 0.06 . 1 . . . . 148 VAL CA . 18505 1 785 . 1 1 89 89 VAL CB C 13 34.62 0.1 . 1 . . . . 148 VAL CB . 18505 1 786 . 1 1 89 89 VAL CG1 C 13 20.12 0.21 . 2 . . . . 148 VAL CG1 . 18505 1 787 . 1 1 89 89 VAL CG2 C 13 24 0 . . . . . . 148 VAL CG2 . 18505 1 788 . 1 1 89 89 VAL N N 15 116.65 0.06 . 1 . . . . 148 VAL N . 18505 1 789 . 1 1 90 90 PHE H H 1 9.64 0.01 . 1 . . . . 149 PHE H . 18505 1 790 . 1 1 90 90 PHE HA H 1 4.99 0.01 . 1 . . . . 149 PHE HA . 18505 1 791 . 1 1 90 90 PHE HB2 H 1 3.39 0.01 . 2 . . . . 149 PHE HB2 . 18505 1 792 . 1 1 90 90 PHE HB3 H 1 2.97 0.01 . 2 . . . . 149 PHE HB3 . 18505 1 793 . 1 1 90 90 PHE HD1 H 1 7.48 0 . 3 . . . . 149 PHE Hd . 18505 1 794 . 1 1 90 90 PHE HD2 H 1 7.48 0 . 3 . . . . 149 PHE Hd . 18505 1 795 . 1 1 90 90 PHE HE1 H 1 7.67 0 . 3 . . . . 149 PHE QE . 18505 1 796 . 1 1 90 90 PHE HE2 H 1 7.67 0 . 3 . . . . 149 PHE QE . 18505 1 797 . 1 1 90 90 PHE C C 13 174.9 0 . . . . . . 149 PHE CO . 18505 1 798 . 1 1 90 90 PHE CA C 13 57.79 0.13 . 1 . . . . 149 PHE CA . 18505 1 799 . 1 1 90 90 PHE CB C 13 43.46 0.07 . 1 . . . . 149 PHE CB . 18505 1 800 . 1 1 90 90 PHE N N 15 129.73 0.05 . 1 . . . . 149 PHE N . 18505 1 801 . 1 1 91 91 TRP H H 1 7.79 0.01 . 1 . . . . 150 TRP H . 18505 1 802 . 1 1 91 91 TRP HA H 1 4.84 0.01 . 1 . . . . 150 TRP HA . 18505 1 803 . 1 1 91 91 TRP HB2 H 1 2.78 0.05 . 2 . . . . 150 TRP HB2 . 18505 1 804 . 1 1 91 91 TRP HB3 H 1 2.47 0.03 . 2 . . . . 150 TRP HB3 . 18505 1 805 . 1 1 91 91 TRP HD1 H 1 7.21 0.05 . 1 . . . . 150 TRP HD1 . 18505 1 806 . 1 1 91 91 TRP HE1 H 1 11.13 0.01 . 1 . . . . 150 TRP HE1 . 18505 1 807 . 1 1 91 91 TRP C C 13 175.53 0 . . . . . . 150 TRP CO . 18505 1 808 . 1 1 91 91 TRP CA C 13 58.24 0 . 1 . . . . 150 TRP CA . 18505 1 809 . 1 1 91 91 TRP CB C 13 28.88 0.07 . 1 . . . . 150 TRP CB . 18505 1 810 . 1 1 91 91 TRP N N 15 131.22 0.04 . 1 . . . . 150 TRP N . 18505 1 811 . 1 1 91 91 TRP NE1 N 15 132.91 0.01 . 1 . . . . 150 TRP NE1 . 18505 1 812 . 1 1 92 92 VAL H H 1 9.37 0.01 . 1 . . . . 151 VAL H . 18505 1 813 . 1 1 92 92 VAL HA H 1 5.1 0.01 . 1 . . . . 151 VAL HA . 18505 1 814 . 1 1 92 92 VAL HB H 1 2.21 0.01 . 1 . . . . 151 VAL HB . 18505 1 815 . 1 1 92 92 VAL HG11 H 1 1.16 0.02 . . . . . . 151 VAL QG1 . 18505 1 816 . 1 1 92 92 VAL HG12 H 1 1.16 0.02 . . . . . . 151 VAL QG1 . 18505 1 817 . 1 1 92 92 VAL HG13 H 1 1.16 0.02 . . . . . . 151 VAL QG1 . 18505 1 818 . 1 1 92 92 VAL HG21 H 1 0.61 0 . 2 . . . . 151 VAL MG2 . 18505 1 819 . 1 1 92 92 VAL HG22 H 1 0.61 0 . 2 . . . . 151 VAL MG2 . 18505 1 820 . 1 1 92 92 VAL HG23 H 1 0.61 0 . 2 . . . . 151 VAL MG2 . 18505 1 821 . 1 1 92 92 VAL C C 13 174.48 0 . . . . . . 151 VAL CO . 18505 1 822 . 1 1 92 92 VAL CA C 13 59.9 0.12 . 1 . . . . 151 VAL CA . 18505 1 823 . 1 1 92 92 VAL CB C 13 36.35 0.1 . 1 . . . . 151 VAL CB . 18505 1 824 . 1 1 92 92 VAL CG1 C 13 20.43 0 . 2 . . . . 151 VAL CG1 . 18505 1 825 . 1 1 92 92 VAL CG2 C 13 22.51 2.12 . 2 . . . . 151 VAL CG2 . 18505 1 826 . 1 1 92 92 VAL N N 15 115.5 0.05 . 1 . . . . 151 VAL N . 18505 1 827 . 1 1 93 93 ALA H H 1 8.83 0.01 . 1 . . . . 152 ALA H . 18505 1 828 . 1 1 93 93 ALA HA H 1 4.65 0.01 . 1 . . . . 152 ALA HA . 18505 1 829 . 1 1 93 93 ALA HB1 H 1 1.33 0.01 . 1 . . . . 152 ALA HB . 18505 1 830 . 1 1 93 93 ALA HB2 H 1 1.33 0.01 . 1 . . . . 152 ALA HB . 18505 1 831 . 1 1 93 93 ALA HB3 H 1 1.33 0.01 . 1 . . . . 152 ALA HB . 18505 1 832 . 1 1 93 93 ALA C C 13 176.81 0 . . . . . . 152 ALA CO . 18505 1 833 . 1 1 93 93 ALA CA C 13 52.87 0 . 1 . . . . 152 ALA CA . 18505 1 834 . 1 1 93 93 ALA CB C 13 21.28 0.18 . 1 . . . . 152 ALA CB . 18505 1 835 . 1 1 93 93 ALA N N 15 118.8 0.03 . 1 . . . . 152 ALA N . 18505 1 836 . 1 1 94 94 ASN H H 1 8.4 0.01 . 1 . . . . 153 ASN H . 18505 1 837 . 1 1 94 94 ASN HA H 1 4.59 0.01 . 1 . . . . 153 ASN HA . 18505 1 838 . 1 1 94 94 ASN HB2 H 1 3.05 0.01 . 2 . . . . 153 ASN HB2 . 18505 1 839 . 1 1 94 94 ASN HB3 H 1 2.72 0.04 . 2 . . . . 153 ASN HB3 . 18505 1 840 . 1 1 94 94 ASN C C 13 177.39 0 . . . . . . 153 ASN CO . 18505 1 841 . 1 1 94 94 ASN CA C 13 53.61 0.13 . 1 . . . . 153 ASN CA . 18505 1 842 . 1 1 94 94 ASN CB C 13 40.94 0.04 . 1 . . . . 153 ASN CB . 18505 1 843 . 1 1 94 94 ASN N N 15 120.71 0.04 . 1 . . . . 153 ASN N . 18505 1 844 . 1 1 95 95 SER H H 1 9.41 0.01 . 1 . . . . 154 SER H . 18505 1 845 . 1 1 95 95 SER HA H 1 4.3 0.01 . 1 . . . . 154 SER HA . 18505 1 846 . 1 1 95 95 SER HB2 H 1 4.02 0 . 2 . . . . 154 SER HB2 . 18505 1 847 . 1 1 95 95 SER HB3 H 1 4 0 . 2 . . . . 154 SER HB3 . 18505 1 848 . 1 1 95 95 SER C C 13 175.32 0 . . . . . . 154 SER CO . 18505 1 849 . 1 1 95 95 SER CA C 13 61.67 0.13 . 1 . . . . 154 SER CA . 18505 1 850 . 1 1 95 95 SER CB C 13 62.85 0.45 . 1 . . . . 154 SER CB . 18505 1 851 . 1 1 95 95 SER N N 15 124.91 0.06 . 1 . . . . 154 SER N . 18505 1 852 . 1 1 96 96 GLN H H 1 9.15 0.01 . 1 . . . . 155 GLN H . 18505 1 853 . 1 1 96 96 GLN HA H 1 4.29 0 . 1 . . . . 155 GLN HA . 18505 1 854 . 1 1 96 96 GLN HB2 H 1 1.62 0.02 . 2 . . . . 155 GLN HB2 . 18505 1 855 . 1 1 96 96 GLN HB3 H 1 2.17 0 . 2 . . . . 155 GLN HB3 . 18505 1 856 . 1 1 96 96 GLN HG2 H 1 2.34 0.01 . 2 . . . . 155 GLN QG . 18505 1 857 . 1 1 96 96 GLN HG3 H 1 2.34 0.01 . 2 . . . . 155 GLN QG . 18505 1 858 . 1 1 96 96 GLN C C 13 175.95 0 . . . . . . 155 GLN CO . 18505 1 859 . 1 1 96 96 GLN CA C 13 55.92 0.01 . 1 . . . . 155 GLN CA . 18505 1 860 . 1 1 96 96 GLN CB C 13 29.37 0.11 . 1 . . . . 155 GLN CB . 18505 1 861 . 1 1 96 96 GLN CG C 13 34.67 0 . 1 . . . . 155 GLN CG . 18505 1 862 . 1 1 96 96 GLN N N 15 117.97 0.03 . 1 . . . . 155 GLN N . 18505 1 863 . 1 1 97 97 ALA H H 1 7.8 0.01 . 1 . . . . 156 ALA H . 18505 1 864 . 1 1 97 97 ALA HA H 1 4.27 0.02 . 1 . . . . 156 ALA HA . 18505 1 865 . 1 1 97 97 ALA HB1 H 1 1.3 0.02 . 1 . . . . 156 ALA HB . 18505 1 866 . 1 1 97 97 ALA HB2 H 1 1.3 0.02 . 1 . . . . 156 ALA HB . 18505 1 867 . 1 1 97 97 ALA HB3 H 1 1.3 0.02 . 1 . . . . 156 ALA HB . 18505 1 868 . 1 1 97 97 ALA CA C 13 52.12 0.15 . 1 . . . . 156 ALA CA . 18505 1 869 . 1 1 97 97 ALA CB C 13 20.57 0.01 . 1 . . . . 156 ALA CB . 18505 1 870 . 1 1 97 97 ALA N N 15 122.13 0.06 . 1 . . . . 156 ALA N . 18505 1 871 . 1 1 98 98 ASP H H 1 9.03 0.02 . 1 . . . . 157 ASP H . 18505 1 872 . 1 1 98 98 ASP HA H 1 4.75 0.01 . 1 . . . . 157 ASP HA . 18505 1 873 . 1 1 98 98 ASP HB2 H 1 2.9 0.01 . 2 . . . . 157 ASP HB2 . 18505 1 874 . 1 1 98 98 ASP HB3 H 1 2.6 0.01 . 2 . . . . 157 ASP HB3 . 18505 1 875 . 1 1 98 98 ASP CA C 13 52.52 0.02 . 1 . . . . 157 ASP CA . 18505 1 876 . 1 1 98 98 ASP CB C 13 40.5 0.17 . 1 . . . . 157 ASP CB . 18505 1 877 . 1 1 98 98 ASP N N 15 121.31 0.04 . 1 . . . . 157 ASP N . 18505 1 878 . 1 1 99 99 THR H H 1 8.1 0.01 . 1 . . . . 158 THR H . 18505 1 879 . 1 1 99 99 THR HA H 1 3.62 0 . 1 . . . . 158 THR HA . 18505 1 880 . 1 1 99 99 THR HB H 1 3.77 0 . 1 . . . . 158 THR HB . 18505 1 881 . 1 1 99 99 THR HG21 H 1 0.23 0.02 . . . . . . 158 THR QG2 . 18505 1 882 . 1 1 99 99 THR HG22 H 1 0.23 0.02 . . . . . . 158 THR QG2 . 18505 1 883 . 1 1 99 99 THR HG23 H 1 0.23 0.02 . . . . . . 158 THR QG2 . 18505 1 884 . 1 1 99 99 THR C C 13 173.06 0 . . . . . . 158 THR CO . 18505 1 885 . 1 1 99 99 THR CA C 13 62.73 0.08 . 1 . . . . 158 THR CA . 18505 1 886 . 1 1 99 99 THR CB C 13 67.62 0.06 . 1 . . . . 158 THR CB . 18505 1 887 . 1 1 99 99 THR N N 15 114.58 0.04 . 1 . . . . 158 THR N . 18505 1 888 . 1 1 100 100 ASN H H 1 8.34 0.01 . 1 . . . . 159 ASN H . 18505 1 889 . 1 1 100 100 ASN HA H 1 4.66 0 . 1 . . . . 159 ASN HA . 18505 1 890 . 1 1 100 100 ASN HB2 H 1 2.94 0.01 . 2 . . . . 159 ASN HB2 . 18505 1 891 . 1 1 100 100 ASN HB3 H 1 2.84 0.03 . 2 . . . . 159 ASN HB3 . 18505 1 892 . 1 1 100 100 ASN C C 13 175.14 0 . . . . . . 159 ASN CO . 18505 1 893 . 1 1 100 100 ASN CA C 13 54.11 0 . 1 . . . . 159 ASN CA . 18505 1 894 . 1 1 100 100 ASN CB C 13 39.42 0.11 . 1 . . . . 159 ASN CB . 18505 1 895 . 1 1 100 100 ASN N N 15 116.57 0.04 . 1 . . . . 159 ASN N . 18505 1 896 . 1 1 101 101 THR H H 1 7.17 0.01 . 1 . . . . 160 THR H . 18505 1 897 . 1 1 101 101 THR HA H 1 4.59 0.01 . 1 . . . . 160 THR HA . 18505 1 898 . 1 1 101 101 THR HB H 1 3.98 0.01 . 1 . . . . 160 THR HB . 18505 1 899 . 1 1 101 101 THR HG1 H 1 4.56 0.04 . 1 . . . . 160 THR HG1 . 18505 1 900 . 1 1 101 101 THR HG21 H 1 1.16 0 . . . . . . 160 THR HG21 . 18505 1 901 . 1 1 101 101 THR HG22 H 1 1.16 0 . . . . . . 160 THR HG22 . 18505 1 902 . 1 1 101 101 THR HG23 H 1 1.16 0 . . . . . . 160 THR HG23 . 18505 1 903 . 1 1 101 101 THR CA C 13 59.5 0.02 . 1 . . . . 160 THR CA . 18505 1 904 . 1 1 101 101 THR CB C 13 71.29 0.17 . 1 . . . . 160 THR CB . 18505 1 905 . 1 1 101 101 THR CG2 C 13 23.57 0 . 1 . . . . 160 THR CG2 . 18505 1 906 . 1 1 101 101 THR N N 15 111.11 0.05 . 1 . . . . 160 THR N . 18505 1 907 . 1 1 103 103 SER HB2 H 1 4.16 0 . 2 . . . . 162 SER HB2 . 18505 1 908 . 1 1 103 103 SER HB3 H 1 3.98 0 . 2 . . . . 162 SER HB3 . 18505 1 909 . 1 1 103 103 SER C C 13 174.75 0 . . . . . . 162 SER CO . 18505 1 910 . 1 1 103 103 SER CA C 13 59.25 0 . 1 . . . . 162 SER CA . 18505 1 911 . 1 1 103 103 SER CB C 13 65.24 0.01 . 1 . . . . 162 SER CB . 18505 1 912 . 1 1 104 104 ASP H H 1 9.11 0.01 . 1 . . . . 163 ASP H . 18505 1 913 . 1 1 104 104 ASP HA H 1 4.82 0 . 1 . . . . 163 ASP HA . 18505 1 914 . 1 1 104 104 ASP HB2 H 1 2.73 0.01 . 2 . . . . 163 ASP HB2 . 18505 1 915 . 1 1 104 104 ASP HB3 H 1 2.51 0.01 . 2 . . . . 163 ASP HB3 . 18505 1 916 . 1 1 104 104 ASP C C 13 175.47 0 . . . . . . 163 ASP CO . 18505 1 917 . 1 1 104 104 ASP CA C 13 53.61 0.13 . 1 . . . . 163 ASP CA . 18505 1 918 . 1 1 104 104 ASP CB C 13 40.68 0.07 . 1 . . . . 163 ASP CB . 18505 1 919 . 1 1 104 104 ASP N N 15 126.17 0.09 . 1 . . . . 163 ASP N . 18505 1 920 . 1 1 105 105 ILE H H 1 7.85 0.02 . 1 . . . . 164 ILE H . 18505 1 921 . 1 1 105 105 ILE HA H 1 3.97 0.01 . 1 . . . . 164 ILE HA . 18505 1 922 . 1 1 105 105 ILE HB H 1 1.32 0.01 . 1 . . . . 164 ILE HB . 18505 1 923 . 1 1 105 105 ILE HG12 H 1 0.99 0 . 2 . . . . 164 ILE HG12 . 18505 1 924 . 1 1 105 105 ILE HG13 H 1 0.85 0 . 2 . . . . 164 ILE HG13 . 18505 1 925 . 1 1 105 105 ILE HG21 H 1 0.69 0.12 . 1 . . . . 164 ILE HG2 . 18505 1 926 . 1 1 105 105 ILE HG22 H 1 0.69 0.12 . 1 . . . . 164 ILE HG2 . 18505 1 927 . 1 1 105 105 ILE HG23 H 1 0.69 0.12 . 1 . . . . 164 ILE HG2 . 18505 1 928 . 1 1 105 105 ILE HD11 H 1 0.58 0 . 1 . . . . 164 ILE HD1 . 18505 1 929 . 1 1 105 105 ILE HD12 H 1 0.58 0 . 1 . . . . 164 ILE HD1 . 18505 1 930 . 1 1 105 105 ILE HD13 H 1 0.58 0 . 1 . . . . 164 ILE HD1 . 18505 1 931 . 1 1 105 105 ILE C C 13 175.78 0 . . . . . . 164 ILE CO . 18505 1 932 . 1 1 105 105 ILE CA C 13 60.63 0.11 . 1 . . . . 164 ILE CA . 18505 1 933 . 1 1 105 105 ILE CB C 13 38.23 0.14 . 1 . . . . 164 ILE CB . 18505 1 934 . 1 1 105 105 ILE CG1 C 13 27.49 0 . 1 . . . . 164 ILE CG1 . 18505 1 935 . 1 1 105 105 ILE CG2 C 13 17.14 0.1 . 1 . . . . 164 ILE CG2 . 18505 1 936 . 1 1 105 105 ILE N N 15 122.95 0.03 . 1 . . . . 164 ILE N . 18505 1 937 . 1 1 106 106 VAL H H 1 7.82 0.01 . 1 . . . . 165 VAL H . 18505 1 938 . 1 1 106 106 VAL HA H 1 4.37 0.01 . 1 . . . . 165 VAL HA . 18505 1 939 . 1 1 106 106 VAL HB H 1 2.33 0.01 . 1 . . . . 165 VAL HB . 18505 1 940 . 1 1 106 106 VAL HG11 H 1 1.14 0 . . . . . . 165 VAL QG1 . 18505 1 941 . 1 1 106 106 VAL HG12 H 1 1.14 0 . . . . . . 165 VAL QG1 . 18505 1 942 . 1 1 106 106 VAL HG13 H 1 1.14 0 . . . . . . 165 VAL QG1 . 18505 1 943 . 1 1 106 106 VAL HG21 H 1 1.11 0.01 . . . . . . 165 VAL QG2 . 18505 1 944 . 1 1 106 106 VAL HG22 H 1 1.11 0.01 . . . . . . 165 VAL QG2 . 18505 1 945 . 1 1 106 106 VAL HG23 H 1 1.11 0.01 . . . . . . 165 VAL QG2 . 18505 1 946 . 1 1 106 106 VAL C C 13 173.94 0 . . . . . . 165 VAL CO . 18505 1 947 . 1 1 106 106 VAL CA C 13 61.44 0.11 . 1 . . . . 165 VAL CA . 18505 1 948 . 1 1 106 106 VAL CB C 13 32.85 0.18 . 1 . . . . 165 VAL CB . 18505 1 949 . 1 1 106 106 VAL CG1 C 13 21.65 0 . 2 . . . . 165 VAL CG1 . 18505 1 950 . 1 1 106 106 VAL CG2 C 13 19.84 0 . 2 . . . . 165 VAL CG2 . 18505 1 951 . 1 1 106 106 VAL N N 15 123.48 0.04 . 1 . . . . 165 VAL N . 18505 1 952 . 1 1 107 107 GLU H H 1 8.57 0.01 . 1 . . . . 166 GLU H . 18505 1 953 . 1 1 107 107 GLU HA H 1 4.04 0.01 . 1 . . . . 166 GLU HA . 18505 1 954 . 1 1 107 107 GLU HB2 H 1 2.05 0.05 . 2 . . . . 166 GLU QB . 18505 1 955 . 1 1 107 107 GLU HB3 H 1 2.05 0.05 . 2 . . . . 166 GLU QB . 18505 1 956 . 1 1 107 107 GLU HG2 H 1 1.69 0 . 2 . . . . 166 GLU QG . 18505 1 957 . 1 1 107 107 GLU HG3 H 1 1.69 0 . 2 . . . . 166 GLU QG . 18505 1 958 . 1 1 107 107 GLU C C 13 176.38 0 . . . . . . 166 GLU CO . 18505 1 959 . 1 1 107 107 GLU CA C 13 56.46 0.06 . 1 . . . . 166 GLU CA . 18505 1 960 . 1 1 107 107 GLU CB C 13 30.95 0.15 . 1 . . . . 166 GLU CB . 18505 1 961 . 1 1 107 107 GLU N N 15 122.35 0.05 . 1 . . . . 166 GLU N . 18505 1 962 . 1 1 108 108 ARG H H 1 8.24 0.01 . 1 . . . . 167 ARG H . 18505 1 963 . 1 1 108 108 ARG HA H 1 4.49 0.09 . 1 . . . . 167 ARG HA . 18505 1 964 . 1 1 108 108 ARG HB2 H 1 2.14 0 . 2 . . . . 167 ARG QB . 18505 1 965 . 1 1 108 108 ARG HB3 H 1 2.14 0 . 2 . . . . 167 ARG QB . 18505 1 966 . 1 1 108 108 ARG HG2 H 1 1.79 0 . 2 . . . . 167 ARG QG . 18505 1 967 . 1 1 108 108 ARG HG3 H 1 1.79 0 . 2 . . . . 167 ARG QG . 18505 1 968 . 1 1 108 108 ARG CA C 13 55.44 0.04 . 1 . . . . 167 ARG CA . 18505 1 969 . 1 1 108 108 ARG CB C 13 31.31 0 . 1 . . . . 167 ARG CB . 18505 1 970 . 1 1 108 108 ARG N N 15 115.45 0.15 . 1 . . . . 167 ARG N . 18505 1 971 . 1 1 109 109 ASP H H 1 8.46 0.01 . 1 . . . . 168 ASP H . 18505 1 972 . 1 1 109 109 ASP HB2 H 1 2.52 0 . 2 . . . . 168 ASP QB . 18505 1 973 . 1 1 109 109 ASP HB3 H 1 2.52 0 . 2 . . . . 168 ASP QB . 18505 1 974 . 1 1 109 109 ASP N N 15 126.95 0.07 . 1 . . . . 168 ASP N . 18505 1 975 . 1 1 110 110 PRO HA H 1 4.29 0.01 . 1 . . . . 169 PRO HA . 18505 1 976 . 1 1 110 110 PRO HB2 H 1 1.69 0 . 2 . . . . 169 PRO HB2 . 18505 1 977 . 1 1 110 110 PRO HB3 H 1 1.54 0.02 . 2 . . . . 169 PRO HB3 . 18505 1 978 . 1 1 110 110 PRO HG2 H 1 1.2 0 . 2 . . . . 169 PRO QG . 18505 1 979 . 1 1 110 110 PRO HG3 H 1 1.2 0 . 2 . . . . 169 PRO QG . 18505 1 980 . 1 1 110 110 PRO C C 13 177.28 0 . . . . . . 169 PRO CO . 18505 1 981 . 1 1 110 110 PRO CA C 13 63.54 0.08 . 1 . . . . 169 PRO CA . 18505 1 982 . 1 1 110 110 PRO CB C 13 32.05 0.13 . 1 . . . . 169 PRO CB . 18505 1 983 . 1 1 110 110 PRO CG C 13 26.07 0 . 1 . . . . 169 PRO CG . 18505 1 984 . 1 1 111 111 SER H H 1 8.22 0.01 . 1 . . . . 170 SER H . 18505 1 985 . 1 1 111 111 SER HA H 1 4.21 0 . 1 . . . . 170 SER HA . 18505 1 986 . 1 1 111 111 SER HB2 H 1 3.87 0 . 2 . . . . 170 SER HB2 . 18505 1 987 . 1 1 111 111 SER HB3 H 1 3.81 0 . 2 . . . . 170 SER HB3 . 18505 1 988 . 1 1 111 111 SER C C 13 174.71 0 . . . . . . 170 SER CO . 18505 1 989 . 1 1 111 111 SER CA C 13 60.41 0.14 . 1 . . . . 170 SER CA . 18505 1 990 . 1 1 111 111 SER CB C 13 63.15 0.08 . 1 . . . . 170 SER CB . 18505 1 991 . 1 1 111 111 SER N N 15 114.43 0.03 . 1 . . . . 170 SER N . 18505 1 992 . 1 1 112 112 SER H H 1 7.67 0.01 . 1 . . . . 171 SER H . 18505 1 993 . 1 1 112 112 SER HA H 1 4.54 0.01 . 1 . . . . 171 SER HA . 18505 1 994 . 1 1 112 112 SER HB2 H 1 3.64 0.01 . 2 . . . . 171 SER QB . 18505 1 995 . 1 1 112 112 SER HB3 H 1 3.64 0.01 . 2 . . . . 171 SER QB . 18505 1 996 . 1 1 112 112 SER C C 13 173.74 0 . . . . . . 171 SER CO . 18505 1 997 . 1 1 112 112 SER CA C 13 58.43 0.2 . 1 . . . . 171 SER CA . 18505 1 998 . 1 1 112 112 SER CB C 13 65.41 0.1 . 1 . . . . 171 SER CB . 18505 1 999 . 1 1 112 112 SER N N 15 114.23 0.08 . 1 . . . . 171 SER N . 18505 1 1000 . 1 1 113 113 HIS H H 1 7.92 0.01 . 1 . . . . 172 HIS H . 18505 1 1001 . 1 1 113 113 HIS HA H 1 4.83 0.01 . 1 . . . . 172 HIS HA . 18505 1 1002 . 1 1 113 113 HIS HB2 H 1 3.09 0.01 . 2 . . . . 172 HIS HB2 . 18505 1 1003 . 1 1 113 113 HIS HB3 H 1 2.71 0 . 2 . . . . 172 HIS HB3 . 18505 1 1004 . 1 1 113 113 HIS C C 13 174.52 0 . . . . . . 172 HIS CO . 18505 1 1005 . 1 1 113 113 HIS CA C 13 56.14 0 . 1 . . . . 172 HIS CA . 18505 1 1006 . 1 1 113 113 HIS CB C 13 33.73 0.02 . 1 . . . . 172 HIS CB . 18505 1 1007 . 1 1 113 113 HIS N N 15 119.59 0.09 . 1 . . . . 172 HIS N . 18505 1 1008 . 1 1 114 114 GLU H H 1 8.72 0.01 . 1 . . . . 173 GLU H . 18505 1 1009 . 1 1 114 114 GLU HA H 1 4.33 0.01 . 1 . . . . 173 GLU HA . 18505 1 1010 . 1 1 114 114 GLU HB2 H 1 2.03 0.05 . 2 . . . . 173 GLU QB . 18505 1 1011 . 1 1 114 114 GLU HB3 H 1 2.03 0.05 . 2 . . . . 173 GLU QB . 18505 1 1012 . 1 1 114 114 GLU HG2 H 1 2.35 0 . 2 . . . . 173 GLU QG . 18505 1 1013 . 1 1 114 114 GLU HG3 H 1 2.35 0 . 2 . . . . 173 GLU QG . 18505 1 1014 . 1 1 114 114 GLU C C 13 176.28 0 . . . . . . 173 GLU CO . 18505 1 1015 . 1 1 114 114 GLU CA C 13 55.51 0.04 . 1 . . . . 173 GLU CA . 18505 1 1016 . 1 1 114 114 GLU CB C 13 30.93 0.16 . 1 . . . . 173 GLU CB . 18505 1 1017 . 1 1 114 114 GLU CG C 13 36.32 0 . 1 . . . . 173 GLU CG . 18505 1 1018 . 1 1 114 114 GLU N N 15 124.24 0.06 . 1 . . . . 173 GLU N . 18505 1 1019 . 1 1 115 115 ALA H H 1 8.6 0.01 . 1 . . . . 174 ALA H . 18505 1 1020 . 1 1 115 115 ALA HA H 1 3.97 0.01 . 1 . . . . 174 ALA HA . 18505 1 1021 . 1 1 115 115 ALA HB1 H 1 1.09 0.03 . 1 . . . . 174 ALA HB . 18505 1 1022 . 1 1 115 115 ALA HB2 H 1 1.09 0.03 . 1 . . . . 174 ALA HB . 18505 1 1023 . 1 1 115 115 ALA HB3 H 1 1.09 0.03 . 1 . . . . 174 ALA HB . 18505 1 1024 . 1 1 115 115 ALA C C 13 177.51 0 . . . . . . 174 ALA CO . 18505 1 1025 . 1 1 115 115 ALA CA C 13 52.36 0.09 . 1 . . . . 174 ALA CA . 18505 1 1026 . 1 1 115 115 ALA CB C 13 18.52 0.02 . 1 . . . . 174 ALA CB . 18505 1 1027 . 1 1 115 115 ALA N N 15 122.92 0.06 . 1 . . . . 174 ALA N . 18505 1 1028 . 1 1 116 116 ILE H H 1 9.63 0.01 . 1 . . . . 175 ILE H . 18505 1 1029 . 1 1 116 116 ILE HA H 1 4.37 0 . 1 . . . . 175 ILE HA . 18505 1 1030 . 1 1 116 116 ILE HB H 1 1.96 0.02 . 1 . . . . 175 ILE HB . 18505 1 1031 . 1 1 116 116 ILE CA C 13 59.24 0.12 . 1 . . . . 175 ILE CA . 18505 1 1032 . 1 1 116 116 ILE CB C 13 39.65 0.04 . 1 . . . . 175 ILE CB . 18505 1 1033 . 1 1 116 116 ILE N N 15 127.35 0.04 . 1 . . . . 175 ILE N . 18505 1 1034 . 1 1 117 117 PRO HA H 1 4.42 0 . 1 . . . . 176 PRO HA . 18505 1 1035 . 1 1 117 117 PRO HB2 H 1 1.96 0.03 . 2 . . . . 176 PRO QB . 18505 1 1036 . 1 1 117 117 PRO HB3 H 1 1.96 0.03 . 2 . . . . 176 PRO QB . 18505 1 1037 . 1 1 117 117 PRO C C 13 178.65 0 . . . . . . 176 PRO CO . 18505 1 1038 . 1 1 117 117 PRO CA C 13 63.4 0.09 . 1 . . . . 176 PRO CA . 18505 1 1039 . 1 1 117 117 PRO CB C 13 32.12 0.07 . 1 . . . . 176 PRO CB . 18505 1 1040 . 1 1 117 117 PRO CG C 13 28.16 0 . 1 . . . . 176 PRO CG . 18505 1 1041 . 1 1 118 118 THR H H 1 8.56 0.01 . 1 . . . . 177 THR H . 18505 1 1042 . 1 1 118 118 THR HA H 1 3.83 0 . 1 . . . . 177 THR HA . 18505 1 1043 . 1 1 118 118 THR HB H 1 3.83 0.02 . 1 . . . . 177 THR HB . 18505 1 1044 . 1 1 118 118 THR HG1 H 1 5.42 0 . 1 . . . . 177 THR HG1 . 18505 1 1045 . 1 1 118 118 THR HG21 H 1 0.65 0 . . . . . . 177 THR QG2 . 18505 1 1046 . 1 1 118 118 THR HG22 H 1 0.65 0 . . . . . . 177 THR QG2 . 18505 1 1047 . 1 1 118 118 THR HG23 H 1 0.65 0 . . . . . . 177 THR QG2 . 18505 1 1048 . 1 1 118 118 THR C C 13 173.58 0 . . . . . . 177 THR CO . 18505 1 1049 . 1 1 118 118 THR CA C 13 65.89 0.01 . 1 . . . . 177 THR CA . 18505 1 1050 . 1 1 118 118 THR CB C 13 68.12 0.09 . 1 . . . . 177 THR CB . 18505 1 1051 . 1 1 118 118 THR CG2 C 13 25.02 0 . . . . . . 177 THR CG2 . 18505 1 1052 . 1 1 118 118 THR N N 15 126.88 0.06 . 1 . . . . 177 THR N . 18505 1 1053 . 1 1 119 119 ARG H H 1 9.02 0.01 . 1 . . . . 178 ARG H . 18505 1 1054 . 1 1 119 119 ARG HA H 1 4.24 0.01 . 1 . . . . 178 ARG HA . 18505 1 1055 . 1 1 119 119 ARG HB2 H 1 1.76 0 . 2 . . . . 178 ARG QB . 18505 1 1056 . 1 1 119 119 ARG HB3 H 1 1.76 0 . 2 . . . . 178 ARG QB . 18505 1 1057 . 1 1 119 119 ARG HG2 H 1 1.75 0 . 2 . . . . 178 ARG HG2 . 18505 1 1058 . 1 1 119 119 ARG HG3 H 1 1.71 0 . 2 . . . . 178 ARG HG3 . 18505 1 1059 . 1 1 119 119 ARG HD2 H 1 3.37 0 . 2 . . . . 178 ARG HD2 . 18505 1 1060 . 1 1 119 119 ARG HD3 H 1 3.34 0 . 2 . . . . 178 ARG HD3 . 18505 1 1061 . 1 1 119 119 ARG C C 13 172.83 0 . . . . . . 178 ARG CO . 18505 1 1062 . 1 1 119 119 ARG CA C 13 54.48 0.09 . 1 . . . . 178 ARG CA . 18505 1 1063 . 1 1 119 119 ARG CB C 13 33.43 0.13 . 1 . . . . 178 ARG CB . 18505 1 1064 . 1 1 119 119 ARG CG C 13 26.93 0.14 . 1 . . . . 178 ARG CG . 18505 1 1065 . 1 1 119 119 ARG CD C 13 43.59 0.05 . 1 . . . . 178 ARG CD . 18505 1 1066 . 1 1 119 119 ARG N N 15 130.52 0.08 . 1 . . . . 178 ARG N . 18505 1 1067 . 1 1 120 120 PHE H H 1 8.47 0.01 . 1 . . . . 179 PHE H . 18505 1 1068 . 1 1 120 120 PHE HA H 1 4.96 0.01 . 1 . . . . 179 PHE HA . 18505 1 1069 . 1 1 120 120 PHE HB2 H 1 3.28 0 . 2 . . . . 179 PHE HB2 . 18505 1 1070 . 1 1 120 120 PHE HB3 H 1 3.43 0 . 2 . . . . 179 PHE HB3 . 18505 1 1071 . 1 1 120 120 PHE HD1 H 1 6.96 0 . 3 . . . . 179 PHE Hd . 18505 1 1072 . 1 1 120 120 PHE HD2 H 1 6.96 0 . 3 . . . . 179 PHE Hd . 18505 1 1073 . 1 1 120 120 PHE HE1 H 1 7.04 0 . 3 . . . . 179 PHE QE . 18505 1 1074 . 1 1 120 120 PHE HE2 H 1 7.04 0 . 3 . . . . 179 PHE QE . 18505 1 1075 . 1 1 120 120 PHE C C 13 175.7 0 . . . . . . 179 PHE CO . 18505 1 1076 . 1 1 120 120 PHE CA C 13 55.72 0.04 . 1 . . . . 179 PHE CA . 18505 1 1077 . 1 1 120 120 PHE CB C 13 43.22 0.03 . 1 . . . . 179 PHE CB . 18505 1 1078 . 1 1 120 120 PHE N N 15 116.59 0.04 . 1 . . . . 179 PHE N . 18505 1 1079 . 1 1 121 121 ALA H H 1 8.66 0.01 . 1 . . . . 180 ALA H . 18505 1 1080 . 1 1 121 121 ALA HA H 1 4.73 0.01 . 1 . . . . 180 ALA HA . 18505 1 1081 . 1 1 121 121 ALA HB1 H 1 1.4 0 . 1 . . . . 180 ALA HB . 18505 1 1082 . 1 1 121 121 ALA HB2 H 1 1.4 0 . 1 . . . . 180 ALA HB . 18505 1 1083 . 1 1 121 121 ALA HB3 H 1 1.4 0 . 1 . . . . 180 ALA HB . 18505 1 1084 . 1 1 121 121 ALA CA C 13 51.02 0 . 1 . . . . 180 ALA CA . 18505 1 1085 . 1 1 121 121 ALA N N 15 123.4 0.06 . 1 . . . . 180 ALA N . 18505 1 1086 . 1 1 122 122 PRO HA H 1 4.41 0 . 1 . . . . 181 PRO HA . 18505 1 1087 . 1 1 122 122 PRO HB2 H 1 2.13 0 . 2 . . . . 181 PRO QB . 18505 1 1088 . 1 1 122 122 PRO HB3 H 1 2.13 0 . 2 . . . . 181 PRO QB . 18505 1 1089 . 1 1 122 122 PRO C C 13 176.94 0 . . . . . . 181 PRO CO . 18505 1 1090 . 1 1 122 122 PRO CA C 13 64.27 0 . 1 . . . . 181 PRO CA . 18505 1 1091 . 1 1 122 122 PRO CB C 13 31.71 0.15 . 1 . . . . 181 PRO CB . 18505 1 1092 . 1 1 122 122 PRO CG C 13 27.4 0 . 1 . . . . 181 PRO CG . 18505 1 1093 . 1 1 123 123 GLY H H 1 8.9 0.02 . 1 . . . . 182 GLY H . 18505 1 1094 . 1 1 123 123 GLY HA2 H 1 4.25 0 . 2 . . . . 182 GLY HA2 . 18505 1 1095 . 1 1 123 123 GLY HA3 H 1 3.61 0 . 2 . . . . 182 GLY HA3 . 18505 1 1096 . 1 1 123 123 GLY C C 13 174.66 0 . . . . . . 182 GLY CO . 18505 1 1097 . 1 1 123 123 GLY CA C 13 44.79 0 . 1 . . . . 182 GLY CA . 18505 1 1098 . 1 1 123 123 GLY N N 15 112.35 0.07 . 1 . . . . 182 GLY N . 18505 1 1099 . 1 1 124 124 THR H H 1 7.54 0.01 . 1 . . . . 183 THR H . 18505 1 1100 . 1 1 124 124 THR HA H 1 3.91 0.03 . 1 . . . . 183 THR HA . 18505 1 1101 . 1 1 124 124 THR HB H 1 3.93 0.04 . 1 . . . . 183 THR HB . 18505 1 1102 . 1 1 124 124 THR HG1 H 1 4.54 0 . 1 . . . . 183 THR HG1 . 18505 1 1103 . 1 1 124 124 THR HG21 H 1 0.7 0 . . . . . . 183 THR QG2 . 18505 1 1104 . 1 1 124 124 THR HG22 H 1 0.7 0 . . . . . . 183 THR QG2 . 18505 1 1105 . 1 1 124 124 THR HG23 H 1 0.7 0 . . . . . . 183 THR QG2 . 18505 1 1106 . 1 1 124 124 THR C C 13 173.89 0 . . . . . . 183 THR CO . 18505 1 1107 . 1 1 124 124 THR CB C 13 68.99 0.14 . 1 . . . . 183 THR CB . 18505 1 1108 . 1 1 124 124 THR N N 15 117.53 0.05 . 1 . . . . 183 THR N . 18505 1 1109 . 1 1 125 125 VAL H H 1 8.13 0.01 . 1 . . . . 184 VAL H . 18505 1 1110 . 1 1 125 125 VAL HA H 1 4.06 0.01 . 1 . . . . 184 VAL HA . 18505 1 1111 . 1 1 125 125 VAL HB H 1 1.92 0.01 . 1 . . . . 184 VAL HB . 18505 1 1112 . 1 1 125 125 VAL HG11 H 1 0.93 0 . . . . . . 184 VAL QG1 . 18505 1 1113 . 1 1 125 125 VAL HG12 H 1 0.93 0 . . . . . . 184 VAL QG1 . 18505 1 1114 . 1 1 125 125 VAL HG13 H 1 0.93 0 . . . . . . 184 VAL QG1 . 18505 1 1115 . 1 1 125 125 VAL HG21 H 1 0.81 0 . . . . . . 184 VAL QG2 . 18505 1 1116 . 1 1 125 125 VAL HG22 H 1 0.81 0 . . . . . . 184 VAL QG2 . 18505 1 1117 . 1 1 125 125 VAL HG23 H 1 0.81 0 . . . . . . 184 VAL QG2 . 18505 1 1118 . 1 1 125 125 VAL C C 13 175.33 0 . . . . . . 184 VAL CO . 18505 1 1119 . 1 1 125 125 VAL CA C 13 61.43 0.13 . 1 . . . . 184 VAL CA . 18505 1 1120 . 1 1 125 125 VAL CB C 13 32.55 0.17 . 1 . . . . 184 VAL CB . 18505 1 1121 . 1 1 125 125 VAL CG1 C 13 20.93 0 . . . . . . 184 VAL CG1 . 18505 1 1122 . 1 1 125 125 VAL CG2 C 13 20.93 0 . . . . . . 184 VAL CG2 . 18505 1 1123 . 1 1 125 125 VAL N N 15 129.43 0.07 . 1 . . . . 184 VAL N . 18505 1 1124 . 1 1 126 126 LEU H H 1 8.52 0.01 . 1 . . . . 185 LEU H . 18505 1 1125 . 1 1 126 126 LEU HA H 1 3.86 0 . 1 . . . . 185 LEU HA . 18505 1 1126 . 1 1 126 126 LEU HB2 H 1 1.26 0.01 . 2 . . . . 185 LEU HB2 . 18505 1 1127 . 1 1 126 126 LEU HB3 H 1 1.51 0.02 . 2 . . . . 185 LEU HB3 . 18505 1 1128 . 1 1 126 126 LEU HG H 1 1.17 0 . 1 . . . . 185 LEU HG . 18505 1 1129 . 1 1 126 126 LEU HD11 H 1 0.87 0 . 2 . . . . 185 LEU MD1 . 18505 1 1130 . 1 1 126 126 LEU HD12 H 1 0.87 0 . 2 . . . . 185 LEU MD1 . 18505 1 1131 . 1 1 126 126 LEU HD13 H 1 0.87 0 . 2 . . . . 185 LEU MD1 . 18505 1 1132 . 1 1 126 126 LEU HD21 H 1 0.73 0 . 2 . . . . 185 LEU MD2 . 18505 1 1133 . 1 1 126 126 LEU HD22 H 1 0.73 0 . 2 . . . . 185 LEU MD2 . 18505 1 1134 . 1 1 126 126 LEU HD23 H 1 0.73 0 . 2 . . . . 185 LEU MD2 . 18505 1 1135 . 1 1 126 126 LEU CA C 13 52.71 0.04 . 1 . . . . 185 LEU CA . 18505 1 1136 . 1 1 126 126 LEU CB C 13 41.36 0.06 . 1 . . . . 185 LEU CB . 18505 1 1137 . 1 1 126 126 LEU CD1 C 13 25.44 0 . 2 . . . . 185 LEU CD1 . 18505 1 1138 . 1 1 126 126 LEU CD2 C 13 24.86 0 . 2 . . . . 185 LEU CD2 . 18505 1 1139 . 1 1 126 126 LEU N N 15 130.71 0.07 . 1 . . . . 185 LEU N . 18505 1 1140 . 1 1 128 128 GLN HA H 1 4.09 0 . 1 . . . . 187 GLN HA . 18505 1 1141 . 1 1 128 128 GLN HB2 H 1 1.92 0.01 . 2 . . . . 187 GLN QB . 18505 1 1142 . 1 1 128 128 GLN HB3 H 1 1.92 0.01 . 2 . . . . 187 GLN QB . 18505 1 1143 . 1 1 128 128 GLN HG2 H 1 2.46 0 . 2 . . . . 187 GLN HG2 . 18505 1 1144 . 1 1 128 128 GLN HG3 H 1 2.37 0 . 2 . . . . 187 GLN HG3 . 18505 1 1145 . 1 1 128 128 GLN C C 13 177.19 0 . . . . . . 187 GLN CO . 18505 1 1146 . 1 1 128 128 GLN CA C 13 56.96 0.03 . 1 . . . . 187 GLN CA . 18505 1 1147 . 1 1 128 128 GLN CB C 13 28.66 0.16 . 1 . . . . 187 GLN CB . 18505 1 1148 . 1 1 128 128 GLN CG C 13 33.98 0 . 1 . . . . 187 GLN CG . 18505 1 1149 . 1 1 129 129 GLY H H 1 8.86 0.01 . 1 . . . . 188 GLY H . 18505 1 1150 . 1 1 129 129 GLY HA2 H 1 3.77 0.02 . 2 . . . . 188 GLY HA2 . 18505 1 1151 . 1 1 129 129 GLY HA3 H 1 2.71 0 . 2 . . . . 188 GLY HA3 . 18505 1 1152 . 1 1 129 129 GLY C C 13 172.59 0 . . . . . . 188 GLY CO . 18505 1 1153 . 1 1 129 129 GLY CA C 13 45.14 0.09 . 1 . . . . 188 GLY CA . 18505 1 1154 . 1 1 129 129 GLY N N 15 108.94 0.03 . 1 . . . . 188 GLY N . 18505 1 1155 . 1 1 130 130 PHE H H 1 7.33 0.01 . 1 . . . . 189 PHE H . 18505 1 1156 . 1 1 130 130 PHE HA H 1 5.36 0.01 . 1 . . . . 189 PHE HA . 18505 1 1157 . 1 1 130 130 PHE HB2 H 1 2.63 0.01 . 2 . . . . 189 PHE HB2 . 18505 1 1158 . 1 1 130 130 PHE HB3 H 1 2.54 0.01 . 2 . . . . 189 PHE HB3 . 18505 1 1159 . 1 1 130 130 PHE HD1 H 1 6.69 0 . 3 . . . . 189 PHE QD . 18505 1 1160 . 1 1 130 130 PHE HD2 H 1 6.69 0 . 3 . . . . 189 PHE QD . 18505 1 1161 . 1 1 130 130 PHE C C 13 174.33 0 . . . . . . 189 PHE CO . 18505 1 1162 . 1 1 130 130 PHE CA C 13 56.38 0.06 . 1 . . . . 189 PHE CA . 18505 1 1163 . 1 1 130 130 PHE CB C 13 41.57 0.02 . 1 . . . . 189 PHE CB . 18505 1 1164 . 1 1 130 130 PHE N N 15 117.95 0.04 . 1 . . . . 189 PHE N . 18505 1 1165 . 1 1 131 131 TYR H H 1 9.28 0.01 . 1 . . . . 190 TYR H . 18505 1 1166 . 1 1 131 131 TYR HA H 1 5.06 0.01 . 1 . . . . 190 TYR HA . 18505 1 1167 . 1 1 131 131 TYR HB2 H 1 3.03 0.07 . 2 . . . . 190 TYR HB2 . 18505 1 1168 . 1 1 131 131 TYR HB3 H 1 2.95 0.03 . 2 . . . . 190 TYR HB3 . 18505 1 1169 . 1 1 131 131 TYR HD1 H 1 6.9 0 . 3 . . . . 190 TYR QD . 18505 1 1170 . 1 1 131 131 TYR HD2 H 1 6.9 0 . 3 . . . . 190 TYR QD . 18505 1 1171 . 1 1 131 131 TYR HE1 H 1 6.66 0 . 3 . . . . 190 TYR QE . 18505 1 1172 . 1 1 131 131 TYR HE2 H 1 6.66 0 . 3 . . . . 190 TYR QE . 18505 1 1173 . 1 1 131 131 TYR C C 13 173.35 0 . . . . . . 190 TYR CO . 18505 1 1174 . 1 1 131 131 TYR CA C 13 56.05 0.06 . 1 . . . . 190 TYR CA . 18505 1 1175 . 1 1 131 131 TYR CB C 13 41.45 0.02 . 1 . . . . 190 TYR CB . 18505 1 1176 . 1 1 131 131 TYR N N 15 118.94 0.04 . 1 . . . . 190 TYR N . 18505 1 1177 . 1 1 132 132 VAL H H 1 8.83 0.01 . 1 . . . . 191 VAL H . 18505 1 1178 . 1 1 132 132 VAL HA H 1 4.17 0.01 . 1 . . . . 191 VAL HA . 18505 1 1179 . 1 1 132 132 VAL HB H 1 2.01 0.08 . 1 . . . . 191 VAL HB . 18505 1 1180 . 1 1 132 132 VAL HG11 H 1 1.43 0 . . . . . . 191 VAL QG1 . 18505 1 1181 . 1 1 132 132 VAL HG12 H 1 1.43 0 . . . . . . 191 VAL QG1 . 18505 1 1182 . 1 1 132 132 VAL HG13 H 1 1.43 0 . . . . . . 191 VAL QG1 . 18505 1 1183 . 1 1 132 132 VAL C C 13 175.3 0 . . . . . . 191 VAL CO . 18505 1 1184 . 1 1 132 132 VAL CA C 13 62.59 0.05 . 1 . . . . 191 VAL CA . 18505 1 1185 . 1 1 132 132 VAL CB C 13 32.17 0.02 . 1 . . . . 191 VAL CB . 18505 1 1186 . 1 1 132 132 VAL CG1 C 13 27.09 0 . . . . . . 191 VAL CG1 . 18505 1 1187 . 1 1 132 132 VAL N N 15 123.59 0.08 . 1 . . . . 191 VAL N . 18505 1 1188 . 1 1 133 133 GLU H H 1 7.72 0.02 . 1 . . . . 192 GLU H . 18505 1 1189 . 1 1 133 133 GLU HA H 1 4.66 0 . 1 . . . . 192 GLU HA . 18505 1 1190 . 1 1 133 133 GLU HB2 H 1 2.52 0 . 2 . . . . 192 GLU HB2 . 18505 1 1191 . 1 1 133 133 GLU HB3 H 1 2.63 0 . 2 . . . . 192 GLU HB3 . 18505 1 1192 . 1 1 133 133 GLU HG2 H 1 2.88 0 . 2 . . . . 192 GLU HG2 . 18505 1 1193 . 1 1 133 133 GLU C C 13 177.93 0 . . . . . . 192 GLU CO . 18505 1 1194 . 1 1 133 133 GLU CA C 13 57.51 0.02 . 1 . . . . 192 GLU CA . 18505 1 1195 . 1 1 133 133 GLU CB C 13 30.17 0.02 . 1 . . . . 192 GLU CB . 18505 1 1196 . 1 1 133 133 GLU CG C 13 35.83 0 . 1 . . . . 192 GLU CG . 18505 1 1197 . 1 1 133 133 GLU N N 15 116.26 0.05 . 1 . . . . 192 GLU N . 18505 1 1198 . 1 1 134 134 GLY H H 1 8.94 0.01 . 1 . . . . 193 GLY H . 18505 1 1199 . 1 1 134 134 GLY HA2 H 1 4.17 0.03 . 2 . . . . 193 GLY QA . 18505 1 1200 . 1 1 134 134 GLY HA3 H 1 4.17 0.03 . 2 . . . . 193 GLY QA . 18505 1 1201 . 1 1 134 134 GLY C C 13 174.4 0 . . . . . . 193 GLY CO . 18505 1 1202 . 1 1 134 134 GLY CA C 13 45.48 0.01 . 1 . . . . 193 GLY CA . 18505 1 1203 . 1 1 134 134 GLY N N 15 112.23 0.03 . 1 . . . . 193 GLY N . 18505 1 1204 . 1 1 135 135 SER H H 1 8.26 0.01 . 1 . . . . 194 SER H . 18505 1 1205 . 1 1 135 135 SER HA H 1 4.54 0 . 1 . . . . 194 SER HA . 18505 1 1206 . 1 1 135 135 SER HB2 H 1 3.87 0 . 2 . . . . 194 SER HB2 . 18505 1 1207 . 1 1 135 135 SER HB3 H 1 4.05 0 . 2 . . . . 194 SER HB3 . 18505 1 1208 . 1 1 135 135 SER C C 13 175.19 0 . . . . . . 194 SER CO . 18505 1 1209 . 1 1 135 135 SER CA C 13 58.59 0.08 . 1 . . . . 194 SER CA . 18505 1 1210 . 1 1 135 135 SER CB C 13 64.34 0.01 . 1 . . . . 194 SER CB . 18505 1 1211 . 1 1 135 135 SER N N 15 114.88 0.04 . 1 . . . . 194 SER N . 18505 1 1212 . 1 1 136 136 GLY H H 1 8.61 0.01 . 1 . . . . 195 GLY H . 18505 1 1213 . 1 1 136 136 GLY HA2 H 1 3.99 0 . 2 . . . . 195 GLY QA . 18505 1 1214 . 1 1 136 136 GLY HA3 H 1 3.99 0 . 2 . . . . 195 GLY QA . 18505 1 1215 . 1 1 136 136 GLY C C 13 173.93 0 . . . . . . 195 GLY CO . 18505 1 1216 . 1 1 136 136 GLY CA C 13 45.45 0.11 . 1 . . . . 195 GLY CA . 18505 1 1217 . 1 1 136 136 GLY N N 15 110.99 0.02 . 1 . . . . 195 GLY N . 18505 1 1218 . 1 1 137 137 ARG H H 1 8.14 0.01 . 1 . . . . 196 ARG H . 18505 1 1219 . 1 1 137 137 ARG HA H 1 4.44 0 . 1 . . . . 196 ARG HA . 18505 1 1220 . 1 1 137 137 ARG HB2 H 1 1.89 0.03 . 2 . . . . 196 ARG HB2 . 18505 1 1221 . 1 1 137 137 ARG HB3 H 1 1.73 0.03 . 2 . . . . 196 ARG HB3 . 18505 1 1222 . 1 1 137 137 ARG HG2 H 1 1.6 0 . 2 . . . . 196 ARG QG . 18505 1 1223 . 1 1 137 137 ARG HG3 H 1 1.6 0 . 2 . . . . 196 ARG QG . 18505 1 1224 . 1 1 137 137 ARG HD2 H 1 3.12 0.01 . 2 . . . . 196 ARG QD . 18505 1 1225 . 1 1 137 137 ARG HD3 H 1 3.12 0.01 . 2 . . . . 196 ARG QD . 18505 1 1226 . 1 1 137 137 ARG C C 13 175.55 0 . . . . . . 196 ARG CO . 18505 1 1227 . 1 1 137 137 ARG CA C 13 55.96 0.05 . 1 . . . . 196 ARG CA . 18505 1 1228 . 1 1 137 137 ARG CB C 13 30.91 0.12 . 1 . . . . 196 ARG CB . 18505 1 1229 . 1 1 137 137 ARG CG C 13 26.94 0 . 1 . . . . 196 ARG CG . 18505 1 1230 . 1 1 137 137 ARG CD C 13 43.25 0.08 . 1 . . . . 196 ARG CD . 18505 1 1231 . 1 1 137 137 ARG N N 15 120.8 0.03 . 1 . . . . 196 ARG N . 18505 1 1232 . 1 1 138 138 SER H H 1 7.99 0.01 . 1 . . . . 197 SER H . 18505 1 1233 . 1 1 138 138 SER HA H 1 4.28 0 . 1 . . . . 197 SER HA . 18505 1 1234 . 1 1 138 138 SER HB2 H 1 4.28 0.01 . 2 . . . . 197 SER HB2 . 18505 1 1235 . 1 1 138 138 SER HB3 H 1 3.86 0 . 2 . . . . 197 SER HB3 . 18505 1 1236 . 1 1 138 138 SER CA C 13 59.97 0.05 . 1 . . . . 197 SER CA . 18505 1 1237 . 1 1 138 138 SER CB C 13 64.8 0 . 1 . . . . 197 SER CB . 18505 1 1238 . 1 1 138 138 SER N N 15 122.69 0.05 . 1 . . . . 197 SER N . 18505 1 stop_ save_