data_6361 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6361 _Entry.Title ; Resonance Assignments for the SAP domain of the human protein DEK ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-19 _Entry.Accession_date 2004-10-19 _Entry.Last_release_date 2005-02-10 _Entry.Original_release_date 2005-02-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Matthew Devany . H. . 6361 2 N. Kotharu . Prasad . 6361 3 Hiroshi Matsuo . . . 6361 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6361 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 707 6361 '13C chemical shifts' 447 6361 '15N chemical shifts' 112 6361 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 . . 2005-02-10 2004-10-19 original author . 6361 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6361 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: NMR resonance assignments for the DNA-supercoiling domain of the human protein DEK ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 31 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 65 _Citation.Page_last 65 _Citation.Year 2005 _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 Matthew Devany . H. . 6361 1 2 Hiroshi Matsuo . . . 6361 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'DNA binding' 6361 1 'SAP domain' 6361 1 '4-way junction' 6361 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_DEK78-186 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_DEK78-186 _Assembly.Entry_ID 6361 _Assembly.ID 1 _Assembly.Name 'DEK residues 78-186' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6361 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 DEK78-186 1 $DEK78-186 . . . native . . . . . 6361 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'DEK residues 78-186' system 6361 1 DEK78-186 abbreviation 6361 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'DNA binding' 6361 1 '4-way DNA binding' 6361 1 'chromatin supercoil inducing' 6361 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_DEK78-186 _Entity.Sf_category entity _Entity.Sf_framecode DEK78-186 _Entity.Entry_ID 6361 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name DEK _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 ; FTIAQGKGQKLCEIERIHFF LSKKKTDELRNLHKLLYNRP GTVSSLKKNVGQFSGFPFEK GSVQYKKKEEMLKKFRNAML KSICEVLDLERSGVNSELVK RILNFLMHP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12688 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2JX3 . "Nmr Solution Structure Of The N-Terminal Domain Of Dek" . . . . . 100.00 131 100.00 100.00 2.15e-71 . . . . 6361 1 2 no DBJ BAB25100 . "unnamed protein product [Mus musculus]" . . . . . 84.40 282 97.83 97.83 1.33e-57 . . . . 6361 1 3 no DBJ BAG35503 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 2.61e-72 . . . . 6361 1 4 no DBJ BAG60099 . "unnamed protein product [Homo sapiens]" . . . . . 96.33 341 99.05 100.00 1.66e-68 . . . . 6361 1 5 no DBJ BAG60375 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 351 98.17 98.17 1.03e-69 . . . . 6361 1 6 no DBJ BAG72522 . "DEK oncogene [synthetic construct]" . . . . . 100.00 375 99.08 99.08 9.32e-72 . . . . 6361 1 7 no EMBL CAA45536 . "putative oncogene [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 2.61e-72 . . . . 6361 1 8 no GB AAH35259 . "DEK oncogene [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 2.61e-72 . . . . 6361 1 9 no GB AAH79344 . "DEK oncogene [Rattus norvegicus]" . . . . . 100.00 378 98.17 99.08 1.10e-71 . . . . 6361 1 10 no GB AAI42199 . "DEK protein [Bos taurus]" . . . . . 100.00 375 99.08 100.00 4.63e-72 . . . . 6361 1 11 no GB ABZ92195 . "DEK oncogene (DNA binding) [synthetic construct]" . . . . . 100.00 375 100.00 100.00 2.85e-72 . . . . 6361 1 12 no GB ADP20523 . "DEK [Fukomys anselli]" . . . . . 100.00 377 99.08 100.00 1.61e-72 . . . . 6361 1 13 no REF NP_001004255 . "protein DEK [Rattus norvegicus]" . . . . . 100.00 378 98.17 99.08 1.10e-71 . . . . 6361 1 14 no REF NP_001093187 . "protein DEK [Bos taurus]" . . . . . 100.00 375 99.08 100.00 4.63e-72 . . . . 6361 1 15 no REF NP_001128181 . "protein DEK isoform 2 [Homo sapiens]" . . . . . 96.33 341 99.05 100.00 1.66e-68 . . . . 6361 1 16 no REF NP_001244457 . "protein DEK [Macaca mulatta]" . . . . . 100.00 375 100.00 100.00 1.97e-72 . . . . 6361 1 17 no REF NP_001266767 . "DEK oncogene [Heterocephalus glaber]" . . . . . 100.00 375 99.08 100.00 2.64e-72 . . . . 6361 1 18 no SP P35659 . "RecName: Full=Protein DEK [Homo sapiens]" . . . . . 100.00 375 100.00 100.00 2.61e-72 . . . . 6361 1 19 no SP Q6AXS3 . "RecName: Full=Protein DEK [Rattus norvegicus]" . . . . . 100.00 378 98.17 99.08 1.10e-71 . . . . 6361 1 20 no TPG DAA16149 . "TPA: DEK oncogene [Bos taurus]" . . . . . 100.00 375 99.08 100.00 4.63e-72 . . . . 6361 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID DEK common 6361 1 DEK78-208 variant 6361 1 DEK abbreviation 6361 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 78 PHE . 6361 1 2 79 THR . 6361 1 3 80 ILE . 6361 1 4 81 ALA . 6361 1 5 82 GLN . 6361 1 6 83 GLY . 6361 1 7 84 LYS . 6361 1 8 85 GLY . 6361 1 9 86 GLN . 6361 1 10 87 LYS . 6361 1 11 88 LEU . 6361 1 12 89 CYS . 6361 1 13 90 GLU . 6361 1 14 91 ILE . 6361 1 15 92 GLU . 6361 1 16 93 ARG . 6361 1 17 94 ILE . 6361 1 18 95 HIS . 6361 1 19 96 PHE . 6361 1 20 97 PHE . 6361 1 21 98 LEU . 6361 1 22 99 SER . 6361 1 23 100 LYS . 6361 1 24 101 LYS . 6361 1 25 102 LYS . 6361 1 26 103 THR . 6361 1 27 104 ASP . 6361 1 28 105 GLU . 6361 1 29 106 LEU . 6361 1 30 107 ARG . 6361 1 31 108 ASN . 6361 1 32 109 LEU . 6361 1 33 110 HIS . 6361 1 34 111 LYS . 6361 1 35 112 LEU . 6361 1 36 113 LEU . 6361 1 37 114 TYR . 6361 1 38 115 ASN . 6361 1 39 116 ARG . 6361 1 40 117 PRO . 6361 1 41 118 GLY . 6361 1 42 119 THR . 6361 1 43 120 VAL . 6361 1 44 121 SER . 6361 1 45 122 SER . 6361 1 46 123 LEU . 6361 1 47 124 LYS . 6361 1 48 125 LYS . 6361 1 49 126 ASN . 6361 1 50 127 VAL . 6361 1 51 128 GLY . 6361 1 52 129 GLN . 6361 1 53 130 PHE . 6361 1 54 131 SER . 6361 1 55 132 GLY . 6361 1 56 133 PHE . 6361 1 57 134 PRO . 6361 1 58 135 PHE . 6361 1 59 136 GLU . 6361 1 60 137 LYS . 6361 1 61 138 GLY . 6361 1 62 139 SER . 6361 1 63 140 VAL . 6361 1 64 141 GLN . 6361 1 65 142 TYR . 6361 1 66 143 LYS . 6361 1 67 144 LYS . 6361 1 68 145 LYS . 6361 1 69 146 GLU . 6361 1 70 147 GLU . 6361 1 71 148 MET . 6361 1 72 149 LEU . 6361 1 73 150 LYS . 6361 1 74 151 LYS . 6361 1 75 152 PHE . 6361 1 76 153 ARG . 6361 1 77 154 ASN . 6361 1 78 155 ALA . 6361 1 79 156 MET . 6361 1 80 157 LEU . 6361 1 81 158 LYS . 6361 1 82 159 SER . 6361 1 83 160 ILE . 6361 1 84 161 CYS . 6361 1 85 162 GLU . 6361 1 86 163 VAL . 6361 1 87 164 LEU . 6361 1 88 165 ASP . 6361 1 89 166 LEU . 6361 1 90 167 GLU . 6361 1 91 168 ARG . 6361 1 92 169 SER . 6361 1 93 170 GLY . 6361 1 94 171 VAL . 6361 1 95 172 ASN . 6361 1 96 173 SER . 6361 1 97 174 GLU . 6361 1 98 175 LEU . 6361 1 99 176 VAL . 6361 1 100 177 LYS . 6361 1 101 178 ARG . 6361 1 102 179 ILE . 6361 1 103 180 LEU . 6361 1 104 181 ASN . 6361 1 105 182 PHE . 6361 1 106 183 LEU . 6361 1 107 184 MET . 6361 1 108 185 HIS . 6361 1 109 186 PRO . 6361 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 . PHE 1 1 6361 1 . THR 2 2 6361 1 . ILE 3 3 6361 1 . ALA 4 4 6361 1 . GLN 5 5 6361 1 . GLY 6 6 6361 1 . LYS 7 7 6361 1 . GLY 8 8 6361 1 . GLN 9 9 6361 1 . LYS 10 10 6361 1 . LEU 11 11 6361 1 . CYS 12 12 6361 1 . GLU 13 13 6361 1 . ILE 14 14 6361 1 . GLU 15 15 6361 1 . ARG 16 16 6361 1 . ILE 17 17 6361 1 . HIS 18 18 6361 1 . PHE 19 19 6361 1 . PHE 20 20 6361 1 . LEU 21 21 6361 1 . SER 22 22 6361 1 . LYS 23 23 6361 1 . LYS 24 24 6361 1 . LYS 25 25 6361 1 . THR 26 26 6361 1 . ASP 27 27 6361 1 . GLU 28 28 6361 1 . LEU 29 29 6361 1 . ARG 30 30 6361 1 . ASN 31 31 6361 1 . LEU 32 32 6361 1 . HIS 33 33 6361 1 . LYS 34 34 6361 1 . LEU 35 35 6361 1 . LEU 36 36 6361 1 . TYR 37 37 6361 1 . ASN 38 38 6361 1 . ARG 39 39 6361 1 . PRO 40 40 6361 1 . GLY 41 41 6361 1 . THR 42 42 6361 1 . VAL 43 43 6361 1 . SER 44 44 6361 1 . SER 45 45 6361 1 . LEU 46 46 6361 1 . LYS 47 47 6361 1 . LYS 48 48 6361 1 . ASN 49 49 6361 1 . VAL 50 50 6361 1 . GLY 51 51 6361 1 . GLN 52 52 6361 1 . PHE 53 53 6361 1 . SER 54 54 6361 1 . GLY 55 55 6361 1 . PHE 56 56 6361 1 . PRO 57 57 6361 1 . PHE 58 58 6361 1 . GLU 59 59 6361 1 . LYS 60 60 6361 1 . GLY 61 61 6361 1 . SER 62 62 6361 1 . VAL 63 63 6361 1 . GLN 64 64 6361 1 . TYR 65 65 6361 1 . LYS 66 66 6361 1 . LYS 67 67 6361 1 . LYS 68 68 6361 1 . GLU 69 69 6361 1 . GLU 70 70 6361 1 . MET 71 71 6361 1 . LEU 72 72 6361 1 . LYS 73 73 6361 1 . LYS 74 74 6361 1 . PHE 75 75 6361 1 . ARG 76 76 6361 1 . ASN 77 77 6361 1 . ALA 78 78 6361 1 . MET 79 79 6361 1 . LEU 80 80 6361 1 . LYS 81 81 6361 1 . SER 82 82 6361 1 . ILE 83 83 6361 1 . CYS 84 84 6361 1 . GLU 85 85 6361 1 . VAL 86 86 6361 1 . LEU 87 87 6361 1 . ASP 88 88 6361 1 . LEU 89 89 6361 1 . GLU 90 90 6361 1 . ARG 91 91 6361 1 . SER 92 92 6361 1 . GLY 93 93 6361 1 . VAL 94 94 6361 1 . ASN 95 95 6361 1 . SER 96 96 6361 1 . GLU 97 97 6361 1 . LEU 98 98 6361 1 . VAL 99 99 6361 1 . LYS 100 100 6361 1 . ARG 101 101 6361 1 . ILE 102 102 6361 1 . LEU 103 103 6361 1 . ASN 104 104 6361 1 . PHE 105 105 6361 1 . LEU 106 106 6361 1 . MET 107 107 6361 1 . HIS 108 108 6361 1 . PRO 109 109 6361 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 6361 _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 $DEK78-186 . 9606 . . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . nucleus . . . dek . . . . 6361 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 6361 _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 $DEK78-186 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6361 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 DEK '[U-13C; U-15N]' . . 1 $DEK78-186 . . 0.7 . . mM . . . . 6361 1 2 Na2HPO4 . . . . . . . 25 . . mM . . . . 6361 1 3 NaH2PO4 . . . . . . . 25 . . mM . . . . 6361 1 4 KCl . . . . . . . 100 . . mM . . . . 6361 1 5 DTT . . . . . . . 20 . . mM . . . . 6361 1 6 pefabloc . . . . . . . 0.4 . . mM . . . . 6361 1 7 NaN3 . . . . . . . 0.02 . . % . . . . 6361 1 8 DTT . . . . . . . 20 . . mM . . . . 6361 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond-1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond-1 _Sample_condition_list.Entry_ID 6361 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 6361 1 temperature 298 1 K 6361 1 'ionic strength' 0.15 0.02 M 6361 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6361 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6361 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6361 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Varian INOVA . 800 . . . 6361 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6361 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 6361 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 4 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 7 HCCHTOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 8 '1H-13C NOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 9 '1H-15N NOESYHSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6361 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCHTOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '1H-13C NOESYHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6361 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '1H-15N NOESYHSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6361 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6361 1 C 13 H2O protons . . . . ppm 0.0 external indirect . . . . . . . . . . 6361 1 N 15 H2O protons . . . . ppm 0.0 external indirect . . . . . . . . . . 6361 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 6361 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond-1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6361 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 PHE H H 1 8.052 0.02 . 1 . . . . . . . . 6361 1 2 . 1 1 1 1 PHE N N 15 120.600 0.05 . 1 . . . . . . . . 6361 1 3 . 1 1 1 1 PHE CA C 13 56.836 0.2 . 1 . . . . . . . . 6361 1 4 . 1 1 1 1 PHE HA H 1 4.390 0.02 . 1 . . . . . . . . 6361 1 5 . 1 1 1 1 PHE CB C 13 39.865 0.2 . 1 . . . . . . . . 6361 1 6 . 1 1 1 1 PHE HB2 H 1 3.016 0.02 . 2 . . . . . . . . 6361 1 7 . 1 1 1 1 PHE CD1 C 13 127.694 0.2 . 3 . . . . . . . . 6361 1 8 . 1 1 1 1 PHE HD1 H 1 7.056 0.02 . 3 . . . . . . . . 6361 1 9 . 1 1 1 1 PHE CE1 C 13 126.523 0.2 . 3 . . . . . . . . 6361 1 10 . 1 1 1 1 PHE HE1 H 1 6.902 0.02 . 3 . . . . . . . . 6361 1 11 . 1 1 2 2 THR H H 1 8.254 0.02 . 1 . . . . . . . . 6361 1 12 . 1 1 2 2 THR N N 15 118.705 0.1 . 1 . . . . . . . . 6361 1 13 . 1 1 2 2 THR CA C 13 62.028 0.2 . 1 . . . . . . . . 6361 1 14 . 1 1 2 2 THR HA H 1 4.167 0.02 . 1 . . . . . . . . 6361 1 15 . 1 1 2 2 THR CB C 13 70.199 0.2 . 1 . . . . . . . . 6361 1 16 . 1 1 2 2 THR HB H 1 4.015 0.02 . 1 . . . . . . . . 6361 1 17 . 1 1 2 2 THR HG21 H 1 1.127 0.02 . 1 . . . . . . . . 6361 1 18 . 1 1 2 2 THR HG22 H 1 1.127 0.02 . 1 . . . . . . . . 6361 1 19 . 1 1 2 2 THR HG23 H 1 1.127 0.02 . 1 . . . . . . . . 6361 1 20 . 1 1 2 2 THR CG2 C 13 21.535 0.2 . 1 . . . . . . . . 6361 1 21 . 1 1 3 3 ILE H H 1 8.425 0.02 . 1 . . . . . . . . 6361 1 22 . 1 1 3 3 ILE N N 15 126.700 0.1 . 1 . . . . . . . . 6361 1 23 . 1 1 3 3 ILE CA C 13 61.316 0.2 . 1 . . . . . . . . 6361 1 24 . 1 1 3 3 ILE HA H 1 4.063 0.02 . 1 . . . . . . . . 6361 1 25 . 1 1 3 3 ILE CB C 13 38.587 0.2 . 1 . . . . . . . . 6361 1 26 . 1 1 3 3 ILE HB H 1 1.677 0.02 . 1 . . . . . . . . 6361 1 27 . 1 1 3 3 ILE CG2 C 13 17.159 0.2 . 1 . . . . . . . . 6361 1 28 . 1 1 3 3 ILE HG21 H 1 1.035 0.02 . 1 . . . . . . . . 6361 1 29 . 1 1 3 3 ILE HG22 H 1 1.035 0.02 . 1 . . . . . . . . 6361 1 30 . 1 1 3 3 ILE HG23 H 1 1.035 0.02 . 1 . . . . . . . . 6361 1 31 . 1 1 3 3 ILE CG1 C 13 28.100 0.2 . 1 . . . . . . . . 6361 1 32 . 1 1 3 3 ILE HG12 H 1 0.830 0.02 . 2 . . . . . . . . 6361 1 33 . 1 1 3 3 ILE HG13 H 1 1.201 0.02 . 2 . . . . . . . . 6361 1 34 . 1 1 3 3 ILE CD1 C 13 13.095 0.2 . 2 . . . . . . . . 6361 1 35 . 1 1 3 3 ILE HD11 H 1 0.646 0.02 . 1 . . . . . . . . 6361 1 36 . 1 1 3 3 ILE HD12 H 1 0.646 0.02 . 1 . . . . . . . . 6361 1 37 . 1 1 3 3 ILE HD13 H 1 0.646 0.02 . 1 . . . . . . . . 6361 1 38 . 1 1 4 4 ALA H H 1 8.772 0.02 . 1 . . . . . . . . 6361 1 39 . 1 1 4 4 ALA N N 15 131.000 0.1 . 1 . . . . . . . . 6361 1 40 . 1 1 4 4 ALA CA C 13 51.798 0.2 . 1 . . . . . . . . 6361 1 41 . 1 1 4 4 ALA HA H 1 4.349 0.02 . 1 . . . . . . . . 6361 1 42 . 1 1 4 4 ALA C C 13 176.570 0.2 . 1 . . . . . . . . 6361 1 43 . 1 1 4 4 ALA CB C 13 19.774 0.2 . 1 . . . . . . . . 6361 1 44 . 1 1 4 4 ALA HB1 H 1 1.418 0.02 . 1 . . . . . . . . 6361 1 45 . 1 1 4 4 ALA HB2 H 1 1.418 0.02 . 1 . . . . . . . . 6361 1 46 . 1 1 4 4 ALA HB3 H 1 1.418 0.02 . 1 . . . . . . . . 6361 1 47 . 1 1 5 5 GLN H H 1 8.467 0.02 . 1 . . . . . . . . 6361 1 48 . 1 1 5 5 GLN N N 15 120.900 0.1 . 1 . . . . . . . . 6361 1 49 . 1 1 5 5 GLN CA C 13 55.869 0.2 . 1 . . . . . . . . 6361 1 50 . 1 1 5 5 GLN HA H 1 4.010 0.02 . 1 . . . . . . . . 6361 1 51 . 1 1 5 5 GLN C C 13 176.223 0.2 . 1 . . . . . . . . 6361 1 52 . 1 1 5 5 GLN CB C 13 29.518 0.2 . 1 . . . . . . . . 6361 1 53 . 1 1 5 5 GLN HB2 H 1 2.021 0.02 . 2 . . . . . . . . 6361 1 54 . 1 1 5 5 GLN CG C 13 33.414 0.2 . 1 . . . . . . . . 6361 1 55 . 1 1 5 5 GLN HG2 H 1 2.442 0.02 . 2 . . . . . . . . 6361 1 56 . 1 1 5 5 GLN HG3 H 1 2.514 0.02 . 2 . . . . . . . . 6361 1 57 . 1 1 5 5 GLN NE2 N 15 113.352 0.1 . 1 . . . . . . . . 6361 1 58 . 1 1 5 5 GLN HE21 H 1 6.872 0.02 . 2 . . . . . . . . 6361 1 59 . 1 1 5 5 GLN HE22 H 1 7.590 0.02 . 2 . . . . . . . . 6361 1 60 . 1 1 6 6 GLY H H 1 8.362 0.02 . 1 . . . . . . . . 6361 1 61 . 1 1 6 6 GLY N N 15 114.217 0.1 . 1 . . . . . . . . 6361 1 62 . 1 1 6 6 GLY CA C 13 43.423 0.2 . 1 . . . . . . . . 6361 1 63 . 1 1 6 6 GLY HA2 H 1 3.047 0.02 . 2 . . . . . . . . 6361 1 64 . 1 1 6 6 GLY HA3 H 1 4.050 0.02 . 2 . . . . . . . . 6361 1 65 . 1 1 6 6 GLY C C 13 174.557 0.2 . 1 . . . . . . . . 6361 1 66 . 1 1 7 7 LYS H H 1 8.991 0.02 . 1 . . . . . . . . 6361 1 67 . 1 1 7 7 LYS N N 15 117.470 0.1 . 1 . . . . . . . . 6361 1 68 . 1 1 7 7 LYS CA C 13 56.506 0.2 . 1 . . . . . . . . 6361 1 69 . 1 1 7 7 LYS HA H 1 4.166 0.02 . 1 . . . . . . . . 6361 1 70 . 1 1 7 7 LYS C C 13 177.131 0.2 . 1 . . . . . . . . 6361 1 71 . 1 1 7 7 LYS CB C 13 33.264 0.2 . 1 . . . . . . . . 6361 1 72 . 1 1 7 7 LYS HB2 H 1 1.531 0.02 . 2 . . . . . . . . 6361 1 73 . 1 1 7 7 LYS HB3 H 1 1.769 0.02 . 2 . . . . . . . . 6361 1 74 . 1 1 7 7 LYS CG C 13 24.974 0.2 . 1 . . . . . . . . 6361 1 75 . 1 1 7 7 LYS HG2 H 1 1.435 0.02 . 2 . . . . . . . . 6361 1 76 . 1 1 7 7 LYS HG3 H 1 1.526 0.02 . 2 . . . . . . . . 6361 1 77 . 1 1 7 7 LYS CD C 13 28.412 0.2 . 1 . . . . . . . . 6361 1 78 . 1 1 7 7 LYS HD2 H 1 1.688 0.02 . 2 . . . . . . . . 6361 1 79 . 1 1 7 7 LYS HE2 H 1 3.037 0.02 . 2 . . . . . . . . 6361 1 80 . 1 1 8 8 GLY H H 1 8.032 0.02 . 1 . . . . . . . . 6361 1 81 . 1 1 8 8 GLY N N 15 105.900 0.1 . 1 . . . . . . . . 6361 1 82 . 1 1 8 8 GLY CA C 13 43.886 0.2 . 1 . . . . . . . . 6361 1 83 . 1 1 8 8 GLY HA2 H 1 3.171 0.02 . 2 . . . . . . . . 6361 1 84 . 1 1 8 8 GLY HA3 H 1 4.258 0.02 . 2 . . . . . . . . 6361 1 85 . 1 1 8 8 GLY C C 13 172.149 0.2 . 1 . . . . . . . . 6361 1 86 . 1 1 9 9 GLN H H 1 7.658 0.02 . 1 . . . . . . . . 6361 1 87 . 1 1 9 9 GLN N N 15 120.600 0.1 . 1 . . . . . . . . 6361 1 88 . 1 1 9 9 GLN CA C 13 54.232 0.2 . 1 . . . . . . . . 6361 1 89 . 1 1 9 9 GLN HA H 1 4.360 0.02 . 1 . . . . . . . . 6361 1 90 . 1 1 9 9 GLN C C 13 174.554 0.2 . 1 . . . . . . . . 6361 1 91 . 1 1 9 9 GLN CB C 13 30.995 0.2 . 1 . . . . . . . . 6361 1 92 . 1 1 9 9 GLN HB2 H 1 1.679 0.02 . 2 . . . . . . . . 6361 1 93 . 1 1 9 9 GLN HB3 H 1 1.970 0.02 . 2 . . . . . . . . 6361 1 94 . 1 1 9 9 GLN CG C 13 34.664 0.2 . 1 . . . . . . . . 6361 1 95 . 1 1 9 9 GLN HG2 H 1 2.439 0.02 . 2 . . . . . . . . 6361 1 96 . 1 1 9 9 GLN NE2 N 15 111.301 0.1 . 1 . . . . . . . . 6361 1 97 . 1 1 9 9 GLN HE21 H 1 6.791 0.02 . 2 . . . . . . . . 6361 1 98 . 1 1 9 9 GLN HE22 H 1 7.398 0.02 . 2 . . . . . . . . 6361 1 99 . 1 1 10 10 LYS H H 1 8.019 0.02 . 1 . . . . . . . . 6361 1 100 . 1 1 10 10 LYS N N 15 117.700 0.1 . 1 . . . . . . . . 6361 1 101 . 1 1 10 10 LYS CA C 13 56.353 0.2 . 1 . . . . . . . . 6361 1 102 . 1 1 10 10 LYS HA H 1 4.420 0.02 . 1 . . . . . . . . 6361 1 103 . 1 1 10 10 LYS C C 13 179.785 0.2 . 1 . . . . . . . . 6361 1 104 . 1 1 10 10 LYS CB C 13 33.903 0.2 . 1 . . . . . . . . 6361 1 105 . 1 1 10 10 LYS HB2 H 1 1.414 0.02 . 2 . . . . . . . . 6361 1 106 . 1 1 10 10 LYS HB3 H 1 2.205 0.02 . 2 . . . . . . . . 6361 1 107 . 1 1 10 10 LYS CG C 13 26.231 0.2 . 1 . . . . . . . . 6361 1 108 . 1 1 10 10 LYS HG2 H 1 1.386 0.02 . 2 . . . . . . . . 6361 1 109 . 1 1 10 10 LYS HG3 H 1 1.556 0.02 . 2 . . . . . . . . 6361 1 110 . 1 1 10 10 LYS CD C 13 30.600 0.2 . 1 . . . . . . . . 6361 1 111 . 1 1 10 10 LYS HD2 H 1 1.569 0.02 . 2 . . . . . . . . 6361 1 112 . 1 1 10 10 LYS CE C 13 42.480 0.2 . 1 . . . . . . . . 6361 1 113 . 1 1 10 10 LYS HE2 H 1 3.007 0.02 . 2 . . . . . . . . 6361 1 114 . 1 1 11 11 LEU H H 1 8.578 0.02 . 1 . . . . . . . . 6361 1 115 . 1 1 11 11 LEU N N 15 120.600 0.1 . 1 . . . . . . . . 6361 1 116 . 1 1 11 11 LEU CA C 13 58.648 0.2 . 1 . . . . . . . . 6361 1 117 . 1 1 11 11 LEU HA H 1 4.036 0.02 . 1 . . . . . . . . 6361 1 118 . 1 1 11 11 LEU C C 13 179.101 0.2 . 1 . . . . . . . . 6361 1 119 . 1 1 11 11 LEU CB C 13 39.771 0.2 . 1 . . . . . . . . 6361 1 120 . 1 1 11 11 LEU HB2 H 1 1.519 0.02 . 2 . . . . . . . . 6361 1 121 . 1 1 11 11 LEU HB3 H 1 2.260 0.02 . 2 . . . . . . . . 6361 1 122 . 1 1 11 11 LEU CG C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 123 . 1 1 11 11 LEU CD1 C 13 24.600 0.2 . 2 . . . . . . . . 6361 1 124 . 1 1 11 11 LEU HD11 H 1 1.028 0.02 . 2 . . . . . . . . 6361 1 125 . 1 1 11 11 LEU HD12 H 1 1.028 0.02 . 2 . . . . . . . . 6361 1 126 . 1 1 11 11 LEU HD13 H 1 1.028 0.02 . 2 . . . . . . . . 6361 1 127 . 1 1 11 11 LEU CD2 C 13 22.473 0.2 . 2 . . . . . . . . 6361 1 128 . 1 1 11 11 LEU HD21 H 1 1.129 0.02 . 2 . . . . . . . . 6361 1 129 . 1 1 11 11 LEU HD22 H 1 1.129 0.02 . 2 . . . . . . . . 6361 1 130 . 1 1 11 11 LEU HD23 H 1 1.129 0.02 . 2 . . . . . . . . 6361 1 131 . 1 1 11 11 LEU HG H 1 2.646 0.02 . 1 . . . . . . . . 6361 1 132 . 1 1 12 12 CYS H H 1 9.286 0.02 . 1 . . . . . . . . 6361 1 133 . 1 1 12 12 CYS N N 15 110.000 0.1 . 1 . . . . . . . . 6361 1 134 . 1 1 12 12 CYS CA C 13 59.208 0.2 . 1 . . . . . . . . 6361 1 135 . 1 1 12 12 CYS HA H 1 4.399 0.02 . 1 . . . . . . . . 6361 1 136 . 1 1 12 12 CYS C C 13 174.179 0.2 . 1 . . . . . . . . 6361 1 137 . 1 1 12 12 CYS CB C 13 26.904 0.2 . 1 . . . . . . . . 6361 1 138 . 1 1 12 12 CYS HB2 H 1 2.775 0.02 . 2 . . . . . . . . 6361 1 139 . 1 1 12 12 CYS HB3 H 1 3.028 0.02 . 2 . . . . . . . . 6361 1 140 . 1 1 13 13 GLU H H 1 7.990 0.02 . 1 . . . . . . . . 6361 1 141 . 1 1 13 13 GLU N N 15 121.400 0.1 . 1 . . . . . . . . 6361 1 142 . 1 1 13 13 GLU CA C 13 55.833 0.2 . 1 . . . . . . . . 6361 1 143 . 1 1 13 13 GLU HA H 1 4.279 0.02 . 1 . . . . . . . . 6361 1 144 . 1 1 13 13 GLU C C 13 175.537 0.2 . 1 . . . . . . . . 6361 1 145 . 1 1 13 13 GLU CB C 13 29.615 0.2 . 1 . . . . . . . . 6361 1 146 . 1 1 13 13 GLU HB2 H 1 2.130 0.02 . 2 . . . . . . . . 6361 1 147 . 1 1 13 13 GLU HB3 H 1 2.300 0.02 . 2 . . . . . . . . 6361 1 148 . 1 1 14 14 ILE H H 1 7.632 0.02 . 1 . . . . . . . . 6361 1 149 . 1 1 14 14 ILE N N 15 123.250 0.1 . 1 . . . . . . . . 6361 1 150 . 1 1 14 14 ILE CA C 13 61.526 0.2 . 1 . . . . . . . . 6361 1 151 . 1 1 14 14 ILE HA H 1 4.214 0.02 . 1 . . . . . . . . 6361 1 152 . 1 1 14 14 ILE C C 13 176.033 0.2 . 1 . . . . . . . . 6361 1 153 . 1 1 14 14 ILE CB C 13 37.369 0.2 . 1 . . . . . . . . 6361 1 154 . 1 1 14 14 ILE HB H 1 2.301 0.02 . 1 . . . . . . . . 6361 1 155 . 1 1 14 14 ILE CG2 C 13 18.722 0.2 . 1 . . . . . . . . 6361 1 156 . 1 1 14 14 ILE HG21 H 1 1.150 0.02 . 1 . . . . . . . . 6361 1 157 . 1 1 14 14 ILE HG22 H 1 1.150 0.02 . 1 . . . . . . . . 6361 1 158 . 1 1 14 14 ILE HG23 H 1 1.150 0.02 . 1 . . . . . . . . 6361 1 159 . 1 1 14 14 ILE CG1 C 13 26.849 0.2 . 1 . . . . . . . . 6361 1 160 . 1 1 14 14 ILE HG12 H 1 1.996 0.02 . 2 . . . . . . . . 6361 1 161 . 1 1 14 14 ILE CD1 C 13 14.033 0.2 . 1 . . . . . . . . 6361 1 162 . 1 1 14 14 ILE HD11 H 1 0.757 0.02 . 1 . . . . . . . . 6361 1 163 . 1 1 14 14 ILE HD12 H 1 0.757 0.02 . 1 . . . . . . . . 6361 1 164 . 1 1 14 14 ILE HD13 H 1 0.757 0.02 . 1 . . . . . . . . 6361 1 165 . 1 1 15 15 GLU H H 1 9.027 0.02 . 1 . . . . . . . . 6361 1 166 . 1 1 15 15 GLU N N 15 128.600 0.1 . 1 . . . . . . . . 6361 1 167 . 1 1 15 15 GLU CA C 13 61.297 0.2 . 1 . . . . . . . . 6361 1 168 . 1 1 15 15 GLU HA H 1 4.069 0.02 . 1 . . . . . . . . 6361 1 169 . 1 1 15 15 GLU C C 13 179.331 0.2 . 1 . . . . . . . . 6361 1 170 . 1 1 15 15 GLU CB C 13 30.000 0.2 . 1 . . . . . . . . 6361 1 171 . 1 1 15 15 GLU HB2 H 1 2.069 0.02 . 2 . . . . . . . . 6361 1 172 . 1 1 15 15 GLU HB3 H 1 2.111 0.02 . 2 . . . . . . . . 6361 1 173 . 1 1 15 15 GLU CG C 13 36.227 0.2 . 1 . . . . . . . . 6361 1 174 . 1 1 15 15 GLU HG2 H 1 2.274 0.02 . 2 . . . . . . . . 6361 1 175 . 1 1 15 15 GLU HG3 H 1 2.353 0.02 . 2 . . . . . . . . 6361 1 176 . 1 1 16 16 ARG H H 1 9.417 0.02 . 1 . . . . . . . . 6361 1 177 . 1 1 16 16 ARG N N 15 117.525 0.1 . 1 . . . . . . . . 6361 1 178 . 1 1 16 16 ARG CA C 13 60.122 0.2 . 1 . . . . . . . . 6361 1 179 . 1 1 16 16 ARG HA H 1 3.736 0.02 . 1 . . . . . . . . 6361 1 180 . 1 1 16 16 ARG C C 13 177.115 0.2 . 1 . . . . . . . . 6361 1 181 . 1 1 16 16 ARG CB C 13 29.847 0.2 . 1 . . . . . . . . 6361 1 182 . 1 1 16 16 ARG HB2 H 1 1.680 0.02 . 2 . . . . . . . . 6361 1 183 . 1 1 16 16 ARG HB3 H 1 1.811 0.02 . 2 . . . . . . . . 6361 1 184 . 1 1 16 16 ARG CG C 13 28.100 0.2 . 1 . . . . . . . . 6361 1 185 . 1 1 16 16 ARG HG2 H 1 1.519 0.02 . 2 . . . . . . . . 6361 1 186 . 1 1 16 16 ARG HG3 H 1 1.689 0.02 . 2 . . . . . . . . 6361 1 187 . 1 1 16 16 ARG CD C 13 42.792 0.2 . 1 . . . . . . . . 6361 1 188 . 1 1 16 16 ARG HD2 H 1 2.960 0.02 . 2 . . . . . . . . 6361 1 189 . 1 1 16 16 ARG HD3 H 1 3.150 0.02 . 2 . . . . . . . . 6361 1 190 . 1 1 17 17 ILE H H 1 6.739 0.02 . 1 . . . . . . . . 6361 1 191 . 1 1 17 17 ILE N N 15 117.150 0.1 . 1 . . . . . . . . 6361 1 192 . 1 1 17 17 ILE CA C 13 65.432 0.2 . 1 . . . . . . . . 6361 1 193 . 1 1 17 17 ILE HA H 1 4.156 0.02 . 1 . . . . . . . . 6361 1 194 . 1 1 17 17 ILE C C 13 177.564 0.2 . 1 . . . . . . . . 6361 1 195 . 1 1 17 17 ILE CB C 13 37.949 0.2 . 1 . . . . . . . . 6361 1 196 . 1 1 17 17 ILE HB H 1 2.220 0.02 . 1 . . . . . . . . 6361 1 197 . 1 1 17 17 ILE CG2 C 13 15.917 0.2 . 1 . . . . . . . . 6361 1 198 . 1 1 17 17 ILE HG21 H 1 1.244 0.02 . 1 . . . . . . . . 6361 1 199 . 1 1 17 17 ILE HG22 H 1 1.244 0.02 . 1 . . . . . . . . 6361 1 200 . 1 1 17 17 ILE HG23 H 1 1.244 0.02 . 1 . . . . . . . . 6361 1 201 . 1 1 17 17 ILE CG1 C 13 28.106 0.2 . 1 . . . . . . . . 6361 1 202 . 1 1 17 17 ILE HG12 H 1 1.400 0.02 . 2 . . . . . . . . 6361 1 203 . 1 1 17 17 ILE HG13 H 1 1.789 0.02 . 2 . . . . . . . . 6361 1 204 . 1 1 17 17 ILE CD1 C 13 16.542 0.2 . 1 . . . . . . . . 6361 1 205 . 1 1 17 17 ILE HD11 H 1 1.144 0.02 . 1 . . . . . . . . 6361 1 206 . 1 1 17 17 ILE HD12 H 1 1.144 0.02 . 1 . . . . . . . . 6361 1 207 . 1 1 17 17 ILE HD13 H 1 1.144 0.02 . 1 . . . . . . . . 6361 1 208 . 1 1 18 18 HIS H H 1 8.950 0.02 . 1 . . . . . . . . 6361 1 209 . 1 1 18 18 HIS N N 15 119.300 0.1 . 1 . . . . . . . . 6361 1 210 . 1 1 18 18 HIS CA C 13 60.562 0.2 . 1 . . . . . . . . 6361 1 211 . 1 1 18 18 HIS HA H 1 4.022 0.02 . 1 . . . . . . . . 6361 1 212 . 1 1 18 18 HIS C C 13 178.212 0.2 . 1 . . . . . . . . 6361 1 213 . 1 1 18 18 HIS CB C 13 29.996 0.2 . 1 . . . . . . . . 6361 1 214 . 1 1 18 18 HIS HB2 H 1 3.240 0.02 . 2 . . . . . . . . 6361 1 215 . 1 1 18 18 HIS HD2 H 1 7.022 0.02 . 1 . . . . . . . . 6361 1 216 . 1 1 18 18 HIS HE1 H 1 7.972 0.02 . 1 . . . . . . . . 6361 1 217 . 1 1 19 19 PHE H H 1 7.968 0.02 . 1 . . . . . . . . 6361 1 218 . 1 1 19 19 PHE N N 15 118.700 0.1 . 1 . . . . . . . . 6361 1 219 . 1 1 19 19 PHE CA C 13 61.292 0.2 . 1 . . . . . . . . 6361 1 220 . 1 1 19 19 PHE HA H 1 4.150 0.02 . 1 . . . . . . . . 6361 1 221 . 1 1 19 19 PHE C C 13 178.116 0.2 . 1 . . . . . . . . 6361 1 222 . 1 1 19 19 PHE CB C 13 38.646 0.2 . 1 . . . . . . . . 6361 1 223 . 1 1 19 19 PHE HB2 H 1 3.037 0.02 . 2 . . . . . . . . 6361 1 224 . 1 1 19 19 PHE HB3 H 1 3.174 0.02 . 2 . . . . . . . . 6361 1 225 . 1 1 19 19 PHE HD1 H 1 6.908 0.02 . 3 . . . . . . . . 6361 1 226 . 1 1 19 19 PHE HE1 H 1 7.318 0.02 . 3 . . . . . . . . 6361 1 227 . 1 1 20 20 PHE H H 1 8.413 0.02 . 1 . . . . . . . . 6361 1 228 . 1 1 20 20 PHE N N 15 120.680 0.1 . 1 . . . . . . . . 6361 1 229 . 1 1 20 20 PHE CA C 13 60.209 0.2 . 1 . . . . . . . . 6361 1 230 . 1 1 20 20 PHE HA H 1 4.337 0.02 . 1 . . . . . . . . 6361 1 231 . 1 1 20 20 PHE C C 13 179.983 0.2 . 1 . . . . . . . . 6361 1 232 . 1 1 20 20 PHE CB C 13 38.182 0.2 . 1 . . . . . . . . 6361 1 233 . 1 1 20 20 PHE HB2 H 1 3.253 0.02 . 2 . . . . . . . . 6361 1 234 . 1 1 20 20 PHE HB3 H 1 3.528 0.02 . 2 . . . . . . . . 6361 1 235 . 1 1 20 20 PHE CD1 C 13 127.500 0.2 . 3 . . . . . . . . 6361 1 236 . 1 1 20 20 PHE HD1 H 1 7.337 0.02 . 3 . . . . . . . . 6361 1 237 . 1 1 20 20 PHE CE1 C 13 126.347 0.2 . 3 . . . . . . . . 6361 1 238 . 1 1 20 20 PHE HE1 H 1 7.320 0.02 . 3 . . . . . . . . 6361 1 239 . 1 1 21 21 LEU H H 1 9.410 0.02 . 1 . . . . . . . . 6361 1 240 . 1 1 21 21 LEU N N 15 119.260 0.1 . 1 . . . . . . . . 6361 1 241 . 1 1 21 21 LEU CA C 13 58.008 0.2 . 1 . . . . . . . . 6361 1 242 . 1 1 21 21 LEU HA H 1 3.870 0.02 . 1 . . . . . . . . 6361 1 243 . 1 1 21 21 LEU C C 13 179.014 0.2 . 1 . . . . . . . . 6361 1 244 . 1 1 21 21 LEU CB C 13 42.059 0.2 . 1 . . . . . . . . 6361 1 245 . 1 1 21 21 LEU HB2 H 1 1.367 0.02 . 2 . . . . . . . . 6361 1 246 . 1 1 21 21 LEU HB3 H 1 1.948 0.02 . 2 . . . . . . . . 6361 1 247 . 1 1 21 21 LEU CG C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 248 . 1 1 21 21 LEU CD1 C 13 24.349 0.2 . 2 . . . . . . . . 6361 1 249 . 1 1 21 21 LEU HD11 H 1 0.743 0.02 . 2 . . . . . . . . 6361 1 250 . 1 1 21 21 LEU HD12 H 1 0.743 0.02 . 2 . . . . . . . . 6361 1 251 . 1 1 21 21 LEU HD13 H 1 0.743 0.02 . 2 . . . . . . . . 6361 1 252 . 1 1 21 21 LEU CD2 C 13 25.912 0.2 . 2 . . . . . . . . 6361 1 253 . 1 1 21 21 LEU HD21 H 1 0.796 0.02 . 2 . . . . . . . . 6361 1 254 . 1 1 21 21 LEU HD22 H 1 0.796 0.02 . 2 . . . . . . . . 6361 1 255 . 1 1 21 21 LEU HD23 H 1 0.796 0.02 . 2 . . . . . . . . 6361 1 256 . 1 1 21 21 LEU HG H 1 1.940 0.02 . 1 . . . . . . . . 6361 1 257 . 1 1 22 22 SER H H 1 7.680 0.02 . 1 . . . . . . . . 6361 1 258 . 1 1 22 22 SER N N 15 112.769 0.1 . 1 . . . . . . . . 6361 1 259 . 1 1 22 22 SER CA C 13 61.216 0.2 . 1 . . . . . . . . 6361 1 260 . 1 1 22 22 SER HA H 1 4.038 0.02 . 1 . . . . . . . . 6361 1 261 . 1 1 22 22 SER C C 13 174.929 0.2 . 1 . . . . . . . . 6361 1 262 . 1 1 22 22 SER CB C 13 63.080 0.2 . 1 . . . . . . . . 6361 1 263 . 1 1 22 22 SER HB2 H 1 3.754 0.02 . 2 . . . . . . . . 6361 1 264 . 1 1 23 23 LYS H H 1 7.145 0.02 . 1 . . . . . . . . 6361 1 265 . 1 1 23 23 LYS N N 15 118.741 0.1 . 1 . . . . . . . . 6361 1 266 . 1 1 23 23 LYS CA C 13 55.852 0.2 . 1 . . . . . . . . 6361 1 267 . 1 1 23 23 LYS HA H 1 4.264 0.02 . 1 . . . . . . . . 6361 1 268 . 1 1 23 23 LYS C C 13 177.216 0.2 . 1 . . . . . . . . 6361 1 269 . 1 1 23 23 LYS CB C 13 32.884 0.2 . 1 . . . . . . . . 6361 1 270 . 1 1 23 23 LYS HB2 H 1 1.679 0.02 . 2 . . . . . . . . 6361 1 271 . 1 1 23 23 LYS HB3 H 1 1.876 0.02 . 2 . . . . . . . . 6361 1 272 . 1 1 23 23 LYS CG C 13 24.036 0.2 . 1 . . . . . . . . 6361 1 273 . 1 1 23 23 LYS HG2 H 1 1.192 0.02 . 2 . . . . . . . . 6361 1 274 . 1 1 23 23 LYS CD C 13 28.100 0.2 . 1 . . . . . . . . 6361 1 275 . 1 1 23 23 LYS HD2 H 1 1.416 0.02 . 2 . . . . . . . . 6361 1 276 . 1 1 23 23 LYS CE C 13 41.541 0.2 . 1 . . . . . . . . 6361 1 277 . 1 1 23 23 LYS HE2 H 1 2.607 0.02 . 2 . . . . . . . . 6361 1 278 . 1 1 23 23 LYS HE3 H 1 2.789 0.02 . 2 . . . . . . . . 6361 1 279 . 1 1 24 24 LYS H H 1 7.319 0.02 . 1 . . . . . . . . 6361 1 280 . 1 1 24 24 LYS N N 15 118.740 0.1 . 1 . . . . . . . . 6361 1 281 . 1 1 24 24 LYS CA C 13 54.536 0.2 . 1 . . . . . . . . 6361 1 282 . 1 1 24 24 LYS HA H 1 4.357 0.02 . 1 . . . . . . . . 6361 1 283 . 1 1 24 24 LYS C C 13 176.237 0.2 . 1 . . . . . . . . 6361 1 284 . 1 1 24 24 LYS CB C 13 33.090 0.2 . 1 . . . . . . . . 6361 1 285 . 1 1 24 24 LYS HB2 H 1 1.713 0.02 . 2 . . . . . . . . 6361 1 286 . 1 1 24 24 LYS HB3 H 1 1.920 0.02 . 2 . . . . . . . . 6361 1 287 . 1 1 24 24 LYS CG C 13 24.349 0.2 . 1 . . . . . . . . 6361 1 288 . 1 1 24 24 LYS HG2 H 1 1.373 0.02 . 2 . . . . . . . . 6361 1 289 . 1 1 24 24 LYS HG3 H 1 1.721 0.02 . 2 . . . . . . . . 6361 1 290 . 1 1 24 24 LYS CD C 13 28.100 0.2 . 1 . . . . . . . . 6361 1 291 . 1 1 24 24 LYS HD2 H 1 1.565 0.02 . 2 . . . . . . . . 6361 1 292 . 1 1 24 24 LYS HD3 H 1 1.641 0.02 . 2 . . . . . . . . 6361 1 293 . 1 1 24 24 LYS CE C 13 41.854 0.2 . 1 . . . . . . . . 6361 1 294 . 1 1 24 24 LYS HE2 H 1 2.768 0.02 . 2 . . . . . . . . 6361 1 295 . 1 1 24 24 LYS HE3 H 1 2.833 0.02 . 2 . . . . . . . . 6361 1 296 . 1 1 25 25 LYS H H 1 8.914 0.02 . 1 . . . . . . . . 6361 1 297 . 1 1 25 25 LYS N N 15 121.400 0.1 . 1 . . . . . . . . 6361 1 298 . 1 1 25 25 LYS CA C 13 55.621 0.2 . 1 . . . . . . . . 6361 1 299 . 1 1 25 25 LYS HA H 1 4.480 0.02 . 1 . . . . . . . . 6361 1 300 . 1 1 25 25 LYS C C 13 178.404 0.2 . 1 . . . . . . . . 6361 1 301 . 1 1 25 25 LYS CB C 13 33.188 0.2 . 1 . . . . . . . . 6361 1 302 . 1 1 25 25 LYS HB2 H 1 1.790 0.02 . 2 . . . . . . . . 6361 1 303 . 1 1 25 25 LYS HB3 H 1 2.123 0.02 . 2 . . . . . . . . 6361 1 304 . 1 1 25 25 LYS CG C 13 25.286 0.2 . 1 . . . . . . . . 6361 1 305 . 1 1 25 25 LYS HG2 H 1 1.560 0.02 . 2 . . . . . . . . 6361 1 306 . 1 1 25 25 LYS HG3 H 1 1.640 0.02 . 2 . . . . . . . . 6361 1 307 . 1 1 25 25 LYS CD C 13 28.725 0.2 . 1 . . . . . . . . 6361 1 308 . 1 1 25 25 LYS HD2 H 1 1.736 0.02 . 2 . . . . . . . . 6361 1 309 . 1 1 25 25 LYS HD3 H 1 1.773 0.02 . 2 . . . . . . . . 6361 1 310 . 1 1 25 25 LYS CE C 13 41.854 0.2 . 1 . . . . . . . . 6361 1 311 . 1 1 25 25 LYS HE2 H 1 3.044 0.02 . 2 . . . . . . . . 6361 1 312 . 1 1 26 26 THR H H 1 8.642 0.02 . 1 . . . . . . . . 6361 1 313 . 1 1 26 26 THR N N 15 117.700 0.1 . 1 . . . . . . . . 6361 1 314 . 1 1 26 26 THR CA C 13 67.975 0.2 . 1 . . . . . . . . 6361 1 315 . 1 1 26 26 THR HA H 1 3.635 0.02 . 1 . . . . . . . . 6361 1 316 . 1 1 26 26 THR C C 13 176.318 0.2 . 1 . . . . . . . . 6361 1 317 . 1 1 26 26 THR CB C 13 68.757 0.2 . 1 . . . . . . . . 6361 1 318 . 1 1 26 26 THR HB H 1 4.161 0.02 . 1 . . . . . . . . 6361 1 319 . 1 1 26 26 THR HG21 H 1 1.319 0.02 . 1 . . . . . . . . 6361 1 320 . 1 1 26 26 THR HG22 H 1 1.319 0.02 . 1 . . . . . . . . 6361 1 321 . 1 1 26 26 THR HG23 H 1 1.319 0.02 . 1 . . . . . . . . 6361 1 322 . 1 1 26 26 THR CG2 C 13 23.098 0.2 . 1 . . . . . . . . 6361 1 323 . 1 1 27 27 ASP H H 1 8.681 0.02 . 1 . . . . . . . . 6361 1 324 . 1 1 27 27 ASP N N 15 116.900 0.1 . 1 . . . . . . . . 6361 1 325 . 1 1 27 27 ASP CA C 13 57.480 0.2 . 1 . . . . . . . . 6361 1 326 . 1 1 27 27 ASP HA H 1 4.264 0.02 . 1 . . . . . . . . 6361 1 327 . 1 1 27 27 ASP C C 13 178.420 0.2 . 1 . . . . . . . . 6361 1 328 . 1 1 27 27 ASP CB C 13 40.181 0.2 . 1 . . . . . . . . 6361 1 329 . 1 1 27 27 ASP HB2 H 1 2.585 0.02 . 2 . . . . . . . . 6361 1 330 . 1 1 27 27 ASP HB3 H 1 2.665 0.02 . 2 . . . . . . . . 6361 1 331 . 1 1 28 28 GLU H H 1 7.538 0.02 . 1 . . . . . . . . 6361 1 332 . 1 1 28 28 GLU N N 15 116.999 0.1 . 1 . . . . . . . . 6361 1 333 . 1 1 28 28 GLU CA C 13 57.969 0.2 . 1 . . . . . . . . 6361 1 334 . 1 1 28 28 GLU HA H 1 4.267 0.02 . 1 . . . . . . . . 6361 1 335 . 1 1 28 28 GLU C C 13 178.403 0.2 . 1 . . . . . . . . 6361 1 336 . 1 1 28 28 GLU CB C 13 30.053 0.2 . 1 . . . . . . . . 6361 1 337 . 1 1 28 28 GLU HB2 H 1 2.138 0.02 . 2 . . . . . . . . 6361 1 338 . 1 1 28 28 GLU HB3 H 1 2.331 0.02 . 2 . . . . . . . . 6361 1 339 . 1 1 28 28 GLU CG C 13 34.039 0.2 . 1 . . . . . . . . 6361 1 340 . 1 1 28 28 GLU HG2 H 1 2.302 0.02 . 2 . . . . . . . . 6361 1 341 . 1 1 29 29 LEU H H 1 7.871 0.02 . 1 . . . . . . . . 6361 1 342 . 1 1 29 29 LEU N N 15 118.500 0.1 . 1 . . . . . . . . 6361 1 343 . 1 1 29 29 LEU CA C 13 55.264 0.2 . 1 . . . . . . . . 6361 1 344 . 1 1 29 29 LEU HA H 1 4.421 0.02 . 1 . . . . . . . . 6361 1 345 . 1 1 29 29 LEU CB C 13 43.416 0.2 . 1 . . . . . . . . 6361 1 346 . 1 1 29 29 LEU HB2 H 1 1.572 0.02 . 2 . . . . . . . . 6361 1 347 . 1 1 29 29 LEU HB3 H 1 1.996 0.02 . 2 . . . . . . . . 6361 1 348 . 1 1 29 29 LEU CG C 13 26.500 0.2 . 1 . . . . . . . . 6361 1 349 . 1 1 29 29 LEU CD1 C 13 23.098 0.2 . 2 . . . . . . . . 6361 1 350 . 1 1 29 29 LEU HD11 H 1 0.858 0.02 . 2 . . . . . . . . 6361 1 351 . 1 1 29 29 LEU HD12 H 1 0.858 0.02 . 2 . . . . . . . . 6361 1 352 . 1 1 29 29 LEU HD13 H 1 0.858 0.02 . 2 . . . . . . . . 6361 1 353 . 1 1 29 29 LEU HG H 1 1.692 0.02 . 1 . . . . . . . . 6361 1 354 . 1 1 31 31 ASN H H 1 8.397 0.02 . 1 . . . . . . . . 6361 1 355 . 1 1 31 31 ASN N N 15 117.677 0.1 . 1 . . . . . . . . 6361 1 356 . 1 1 31 31 ASN CA C 13 56.129 0.2 . 1 . . . . . . . . 6361 1 357 . 1 1 31 31 ASN HA H 1 4.515 0.02 . 1 . . . . . . . . 6361 1 358 . 1 1 31 31 ASN C C 13 177.708 0.2 . 1 . . . . . . . . 6361 1 359 . 1 1 31 31 ASN CB C 13 37.382 0.2 . 1 . . . . . . . . 6361 1 360 . 1 1 31 31 ASN HB2 H 1 2.428 0.02 . 2 . . . . . . . . 6361 1 361 . 1 1 31 31 ASN HB3 H 1 2.852 0.02 . 2 . . . . . . . . 6361 1 362 . 1 1 31 31 ASN ND2 N 15 113.329 0.1 . 1 . . . . . . . . 6361 1 363 . 1 1 31 31 ASN HD21 H 1 6.956 0.02 . 2 . . . . . . . . 6361 1 364 . 1 1 31 31 ASN HD22 H 1 7.398 0.02 . 2 . . . . . . . . 6361 1 365 . 1 1 32 32 LEU H H 1 7.921 0.02 . 1 . . . . . . . . 6361 1 366 . 1 1 32 32 LEU N N 15 120.300 0.1 . 1 . . . . . . . . 6361 1 367 . 1 1 32 32 LEU CA C 13 57.751 0.2 . 1 . . . . . . . . 6361 1 368 . 1 1 32 32 LEU HA H 1 4.080 0.02 . 1 . . . . . . . . 6361 1 369 . 1 1 32 32 LEU C C 13 171.558 0.2 . 1 . . . . . . . . 6361 1 370 . 1 1 32 32 LEU CB C 13 41.354 0.2 . 1 . . . . . . . . 6361 1 371 . 1 1 32 32 LEU HB2 H 1 1.567 0.02 . 2 . . . . . . . . 6361 1 372 . 1 1 32 32 LEU HB3 H 1 1.903 0.02 . 2 . . . . . . . . 6361 1 373 . 1 1 32 32 LEU CG C 13 27.160 0.2 . 1 . . . . . . . . 6361 1 374 . 1 1 32 32 LEU CD1 C 13 23.098 0.2 . 2 . . . . . . . . 6361 1 375 . 1 1 32 32 LEU HD11 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 376 . 1 1 32 32 LEU HD12 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 377 . 1 1 32 32 LEU HD13 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 378 . 1 1 32 32 LEU CD2 C 13 26.224 0.2 . 2 . . . . . . . . 6361 1 379 . 1 1 32 32 LEU HD21 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 380 . 1 1 32 32 LEU HD22 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 381 . 1 1 32 32 LEU HD23 H 1 0.856 0.02 . 1 . . . . . . . . 6361 1 382 . 1 1 32 32 LEU HG H 1 1.530 0.02 . 1 . . . . . . . . 6361 1 383 . 1 1 33 33 HIS H H 1 8.608 0.02 . 1 . . . . . . . . 6361 1 384 . 1 1 33 33 HIS N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 385 . 1 1 33 33 HIS CA C 13 62.246 0.2 . 1 . . . . . . . . 6361 1 386 . 1 1 33 33 HIS HA H 1 3.794 0.02 . 1 . . . . . . . . 6361 1 387 . 1 1 33 33 HIS C C 13 177.382 0.2 . 1 . . . . . . . . 6361 1 388 . 1 1 33 33 HIS CB C 13 29.074 0.2 . 1 . . . . . . . . 6361 1 389 . 1 1 33 33 HIS HB2 H 1 3.081 0.02 . 2 . . . . . . . . 6361 1 390 . 1 1 33 33 HIS HB3 H 1 3.376 0.02 . 2 . . . . . . . . 6361 1 391 . 1 1 33 33 HIS HD2 H 1 6.750 0.02 . 1 . . . . . . . . 6361 1 392 . 1 1 33 33 HIS HE1 H 1 7.376 0.02 . 1 . . . . . . . . 6361 1 393 . 1 1 34 34 LYS H H 1 8.250 0.02 . 1 . . . . . . . . 6361 1 394 . 1 1 34 34 LYS N N 15 118.500 0.1 . 1 . . . . . . . . 6361 1 395 . 1 1 34 34 LYS CA C 13 60.142 0.2 . 1 . . . . . . . . 6361 1 396 . 1 1 34 34 LYS HA H 1 4.064 0.02 . 1 . . . . . . . . 6361 1 397 . 1 1 34 34 LYS C C 13 178.840 0.2 . 1 . . . . . . . . 6361 1 398 . 1 1 34 34 LYS CB C 13 32.315 0.2 . 1 . . . . . . . . 6361 1 399 . 1 1 34 34 LYS HB2 H 1 1.969 0.02 . 2 . . . . . . . . 6361 1 400 . 1 1 34 34 LYS HB3 H 1 2.030 0.02 . 2 . . . . . . . . 6361 1 401 . 1 1 34 34 LYS CG C 13 25.599 0.2 . 1 . . . . . . . . 6361 1 402 . 1 1 34 34 LYS HG2 H 1 1.366 0.02 . 2 . . . . . . . . 6361 1 403 . 1 1 34 34 LYS HG3 H 1 1.583 0.02 . 2 . . . . . . . . 6361 1 404 . 1 1 34 34 LYS CD C 13 29.663 0.2 . 1 . . . . . . . . 6361 1 405 . 1 1 34 34 LYS HD2 H 1 1.686 0.02 . 2 . . . . . . . . 6361 1 406 . 1 1 34 34 LYS CE C 13 41.541 0.2 . 1 . . . . . . . . 6361 1 407 . 1 1 34 34 LYS HE2 H 1 2.929 0.02 . 2 . . . . . . . . 6361 1 408 . 1 1 35 35 LEU H H 1 7.952 0.02 . 1 . . . . . . . . 6361 1 409 . 1 1 35 35 LEU N N 15 120.900 0.1 . 1 . . . . . . . . 6361 1 410 . 1 1 35 35 LEU CA C 13 57.979 0.2 . 1 . . . . . . . . 6361 1 411 . 1 1 35 35 LEU HA H 1 4.269 0.02 . 1 . . . . . . . . 6361 1 412 . 1 1 35 35 LEU C C 13 178.271 0.2 . 1 . . . . . . . . 6361 1 413 . 1 1 35 35 LEU CB C 13 42.085 0.2 . 1 . . . . . . . . 6361 1 414 . 1 1 35 35 LEU HB2 H 1 1.581 0.02 . 2 . . . . . . . . 6361 1 415 . 1 1 35 35 LEU HB3 H 1 2.217 0.02 . 2 . . . . . . . . 6361 1 416 . 1 1 35 35 LEU CG C 13 27.474 0.2 . 1 . . . . . . . . 6361 1 417 . 1 1 35 35 LEU CD1 C 13 26.849 0.2 . 2 . . . . . . . . 6361 1 418 . 1 1 35 35 LEU HD11 H 1 0.877 0.02 . 2 . . . . . . . . 6361 1 419 . 1 1 35 35 LEU HD12 H 1 0.877 0.02 . 2 . . . . . . . . 6361 1 420 . 1 1 35 35 LEU HD13 H 1 0.877 0.02 . 2 . . . . . . . . 6361 1 421 . 1 1 35 35 LEU CD2 C 13 23.723 0.2 . 2 . . . . . . . . 6361 1 422 . 1 1 35 35 LEU HD21 H 1 0.975 0.02 . 2 . . . . . . . . 6361 1 423 . 1 1 35 35 LEU HD22 H 1 0.975 0.02 . 2 . . . . . . . . 6361 1 424 . 1 1 35 35 LEU HD23 H 1 0.975 0.02 . 2 . . . . . . . . 6361 1 425 . 1 1 35 35 LEU HG H 1 1.531 0.02 . 1 . . . . . . . . 6361 1 426 . 1 1 36 36 LEU H H 1 8.134 0.02 . 1 . . . . . . . . 6361 1 427 . 1 1 36 36 LEU N N 15 116.361 0.1 . 1 . . . . . . . . 6361 1 428 . 1 1 36 36 LEU CA C 13 57.763 0.2 . 1 . . . . . . . . 6361 1 429 . 1 1 36 36 LEU HA H 1 3.742 0.02 . 1 . . . . . . . . 6361 1 430 . 1 1 36 36 LEU C C 13 179.121 0.2 . 1 . . . . . . . . 6361 1 431 . 1 1 36 36 LEU CB C 13 38.785 0.2 . 1 . . . . . . . . 6361 1 432 . 1 1 36 36 LEU HB2 H 1 -0.075 0.02 . 2 . . . . . . . . 6361 1 433 . 1 1 36 36 LEU HB3 H 1 0.693 0.02 . 2 . . . . . . . . 6361 1 434 . 1 1 36 36 LEU CG C 13 25.000 0.2 . 1 . . . . . . . . 6361 1 435 . 1 1 36 36 LEU CD1 C 13 21.223 0.2 . 2 . . . . . . . . 6361 1 436 . 1 1 36 36 LEU HD11 H 1 -0.537 0.02 . 2 . . . . . . . . 6361 1 437 . 1 1 36 36 LEU HD12 H 1 -0.537 0.02 . 2 . . . . . . . . 6361 1 438 . 1 1 36 36 LEU HD13 H 1 -0.537 0.02 . 2 . . . . . . . . 6361 1 439 . 1 1 36 36 LEU CD2 C 13 25.599 0.2 . 2 . . . . . . . . 6361 1 440 . 1 1 36 36 LEU HD21 H 1 0.272 0.02 . 2 . . . . . . . . 6361 1 441 . 1 1 36 36 LEU HD22 H 1 0.272 0.02 . 2 . . . . . . . . 6361 1 442 . 1 1 36 36 LEU HD23 H 1 0.272 0.02 . 2 . . . . . . . . 6361 1 443 . 1 1 36 36 LEU HG H 1 1.408 0.02 . 1 . . . . . . . . 6361 1 444 . 1 1 37 37 TYR H H 1 7.953 0.02 . 1 . . . . . . . . 6361 1 445 . 1 1 37 37 TYR N N 15 112.556 0.1 . 1 . . . . . . . . 6361 1 446 . 1 1 37 37 TYR CA C 13 57.287 0.2 . 1 . . . . . . . . 6361 1 447 . 1 1 37 37 TYR HA H 1 5.164 0.02 . 1 . . . . . . . . 6361 1 448 . 1 1 37 37 TYR C C 13 176.446 0.2 . 1 . . . . . . . . 6361 1 449 . 1 1 37 37 TYR CB C 13 40.503 0.2 . 1 . . . . . . . . 6361 1 450 . 1 1 37 37 TYR HB2 H 1 2.303 0.02 . 2 . . . . . . . . 6361 1 451 . 1 1 37 37 TYR HB3 H 1 3.137 0.02 . 2 . . . . . . . . 6361 1 452 . 1 1 37 37 TYR HD1 H 1 6.404 0.02 . 3 . . . . . . . . 6361 1 453 . 1 1 37 37 TYR CE1 C 13 113.467 0.2 . 3 . . . . . . . . 6361 1 454 . 1 1 37 37 TYR HE1 H 1 6.657 0.02 . 3 . . . . . . . . 6361 1 455 . 1 1 38 38 ASN H H 1 8.932 0.02 . 1 . . . . . . . . 6361 1 456 . 1 1 38 38 ASN N N 15 117.400 0.1 . 1 . . . . . . . . 6361 1 457 . 1 1 38 38 ASN CA C 13 54.399 0.2 . 1 . . . . . . . . 6361 1 458 . 1 1 38 38 ASN HA H 1 4.634 0.02 . 1 . . . . . . . . 6361 1 459 . 1 1 38 38 ASN C C 13 173.594 0.2 . 1 . . . . . . . . 6361 1 460 . 1 1 38 38 ASN CB C 13 37.614 0.2 . 1 . . . . . . . . 6361 1 461 . 1 1 38 38 ASN HB2 H 1 2.828 0.02 . 2 . . . . . . . . 6361 1 462 . 1 1 38 38 ASN HB3 H 1 3.355 0.02 . 2 . . . . . . . . 6361 1 463 . 1 1 38 38 ASN ND2 N 15 112.652 0.1 . 1 . . . . . . . . 6361 1 464 . 1 1 38 38 ASN HD21 H 1 7.641 0.02 . 2 . . . . . . . . 6361 1 465 . 1 1 38 38 ASN HD22 H 1 6.900 0.02 . 2 . . . . . . . . 6361 1 466 . 1 1 39 39 ARG H H 1 7.213 0.02 . 1 . . . . . . . . 6361 1 467 . 1 1 39 39 ARG N N 15 113.119 0.1 . 1 . . . . . . . . 6361 1 468 . 1 1 39 39 ARG CA C 13 53.115 0.2 . 1 . . . . . . . . 6361 1 469 . 1 1 39 39 ARG HA H 1 4.949 0.02 . 1 . . . . . . . . 6361 1 470 . 1 1 39 39 ARG CB C 13 32.319 0.2 . 1 . . . . . . . . 6361 1 471 . 1 1 39 39 ARG HB2 H 1 1.533 0.02 . 2 . . . . . . . . 6361 1 472 . 1 1 39 39 ARG HB3 H 1 2.078 0.02 . 2 . . . . . . . . 6361 1 473 . 1 1 39 39 ARG CG C 13 25.912 0.2 . 1 . . . . . . . . 6361 1 474 . 1 1 39 39 ARG HG2 H 1 1.469 0.02 . 2 . . . . . . . . 6361 1 475 . 1 1 39 39 ARG HG3 H 1 1.753 0.02 . 2 . . . . . . . . 6361 1 476 . 1 1 39 39 ARG CD C 13 43.104 0.2 . 1 . . . . . . . . 6361 1 477 . 1 1 39 39 ARG HD2 H 1 2.716 0.02 . 2 . . . . . . . . 6361 1 478 . 1 1 39 39 ARG HD3 H 1 2.775 0.02 . 2 . . . . . . . . 6361 1 479 . 1 1 40 40 PRO CA C 13 63.753 0.2 . 1 . . . . . . . . 6361 1 480 . 1 1 40 40 PRO HA H 1 4.549 0.02 . 1 . . . . . . . . 6361 1 481 . 1 1 40 40 PRO C C 13 176.505 0.2 . 1 . . . . . . . . 6361 1 482 . 1 1 40 40 PRO CB C 13 32.281 0.2 . 1 . . . . . . . . 6361 1 483 . 1 1 40 40 PRO HB2 H 1 2.041 0.02 . 2 . . . . . . . . 6361 1 484 . 1 1 40 40 PRO HB3 H 1 2.269 0.02 . 2 . . . . . . . . 6361 1 485 . 1 1 40 40 PRO CG C 13 27.162 0.2 . 1 . . . . . . . . 6361 1 486 . 1 1 40 40 PRO HG2 H 1 2.016 0.02 . 2 . . . . . . . . 6361 1 487 . 1 1 40 40 PRO HG3 H 1 2.142 0.02 . 2 . . . . . . . . 6361 1 488 . 1 1 40 40 PRO CD C 13 50.294 0.2 . 1 . . . . . . . . 6361 1 489 . 1 1 40 40 PRO HD2 H 1 3.821 0.02 . 2 . . . . . . . . 6361 1 490 . 1 1 41 41 GLY H H 1 7.916 0.02 . 1 . . . . . . . . 6361 1 491 . 1 1 41 41 GLY N N 15 105.720 0.1 . 1 . . . . . . . . 6361 1 492 . 1 1 41 41 GLY CA C 13 43.373 0.2 . 1 . . . . . . . . 6361 1 493 . 1 1 41 41 GLY HA2 H 1 2.936 0.02 . 2 . . . . . . . . 6361 1 494 . 1 1 41 41 GLY HA3 H 1 3.640 0.02 . 2 . . . . . . . . 6361 1 495 . 1 1 41 41 GLY C C 13 172.906 0.2 . 1 . . . . . . . . 6361 1 496 . 1 1 42 42 THR H H 1 7.665 0.02 . 1 . . . . . . . . 6361 1 497 . 1 1 42 42 THR N N 15 111.496 0.1 . 1 . . . . . . . . 6361 1 498 . 1 1 42 42 THR CA C 13 59.470 0.2 . 1 . . . . . . . . 6361 1 499 . 1 1 42 42 THR HA H 1 4.657 0.02 . 1 . . . . . . . . 6361 1 500 . 1 1 42 42 THR CB C 13 71.152 0.2 . 1 . . . . . . . . 6361 1 501 . 1 1 42 42 THR HB H 1 4.363 0.02 . 1 . . . . . . . . 6361 1 502 . 1 1 42 42 THR HG21 H 1 1.202 0.02 . 1 . . . . . . . . 6361 1 503 . 1 1 42 42 THR HG22 H 1 1.202 0.02 . 1 . . . . . . . . 6361 1 504 . 1 1 42 42 THR HG23 H 1 1.202 0.02 . 1 . . . . . . . . 6361 1 505 . 1 1 42 42 THR CG2 C 13 21.535 0.2 . 1 . . . . . . . . 6361 1 506 . 1 1 43 43 VAL H H 1 8.760 0.02 . 1 . . . . . . . . 6361 1 507 . 1 1 43 43 VAL N N 15 121.620 0.1 . 1 . . . . . . . . 6361 1 508 . 1 1 43 43 VAL CA C 13 66.811 0.2 . 1 . . . . . . . . 6361 1 509 . 1 1 43 43 VAL HA H 1 3.673 0.02 . 1 . . . . . . . . 6361 1 510 . 1 1 43 43 VAL C C 13 177.731 0.2 . 1 . . . . . . . . 6361 1 511 . 1 1 43 43 VAL CB C 13 31.484 0.2 . 1 . . . . . . . . 6361 1 512 . 1 1 43 43 VAL HB H 1 2.164 0.02 . 1 . . . . . . . . 6361 1 513 . 1 1 43 43 VAL CG1 C 13 20.910 0.2 . 2 . . . . . . . . 6361 1 514 . 1 1 43 43 VAL HG11 H 1 1.014 0.02 . 2 . . . . . . . . 6361 1 515 . 1 1 43 43 VAL HG12 H 1 1.014 0.02 . 2 . . . . . . . . 6361 1 516 . 1 1 43 43 VAL HG13 H 1 1.014 0.02 . 2 . . . . . . . . 6361 1 517 . 1 1 43 43 VAL CG2 C 13 21.848 0.2 . 2 . . . . . . . . 6361 1 518 . 1 1 43 43 VAL HG21 H 1 1.083 0.02 . 2 . . . . . . . . 6361 1 519 . 1 1 43 43 VAL HG22 H 1 1.083 0.02 . 2 . . . . . . . . 6361 1 520 . 1 1 43 43 VAL HG23 H 1 1.083 0.02 . 2 . . . . . . . . 6361 1 521 . 1 1 44 44 SER H H 1 7.647 0.02 . 1 . . . . . . . . 6361 1 522 . 1 1 44 44 SER N N 15 112.600 0.1 . 1 . . . . . . . . 6361 1 523 . 1 1 44 44 SER CA C 13 60.451 0.2 . 1 . . . . . . . . 6361 1 524 . 1 1 44 44 SER HA H 1 4.357 0.02 . 1 . . . . . . . . 6361 1 525 . 1 1 44 44 SER C C 13 175.747 0.2 . 1 . . . . . . . . 6361 1 526 . 1 1 44 44 SER CB C 13 63.130 0.2 . 1 . . . . . . . . 6361 1 527 . 1 1 44 44 SER HB2 H 1 3.919 0.02 . 2 . . . . . . . . 6361 1 528 . 1 1 45 45 SER N N 15 114.500 0.1 . 1 . . . . . . . . 6361 1 529 . 1 1 45 45 SER CA C 13 58.540 0.2 . 1 . . . . . . . . 6361 1 530 . 1 1 45 45 SER HA H 1 4.397 0.02 . 1 . . . . . . . . 6361 1 531 . 1 1 45 45 SER C C 13 174.757 0.2 . 1 . . . . . . . . 6361 1 532 . 1 1 45 45 SER CB C 13 65.372 0.2 . 1 . . . . . . . . 6361 1 533 . 1 1 45 45 SER HB2 H 1 3.808 0.02 . 2 . . . . . . . . 6361 1 534 . 1 1 46 46 LEU H H 1 7.800 0.02 . 1 . . . . . . . . 6361 1 535 . 1 1 46 46 LEU N N 15 123.500 0.1 . 1 . . . . . . . . 6361 1 536 . 1 1 46 46 LEU CA C 13 60.952 0.2 . 1 . . . . . . . . 6361 1 537 . 1 1 46 46 LEU HA H 1 4.002 0.02 . 1 . . . . . . . . 6361 1 538 . 1 1 46 46 LEU C C 13 178.655 0.2 . 1 . . . . . . . . 6361 1 539 . 1 1 46 46 LEU CB C 13 43.071 0.2 . 1 . . . . . . . . 6361 1 540 . 1 1 46 46 LEU HB2 H 1 1.474 0.02 . 2 . . . . . . . . 6361 1 541 . 1 1 46 46 LEU HB3 H 1 1.876 0.02 . 2 . . . . . . . . 6361 1 542 . 1 1 46 46 LEU CG C 13 27.108 0.2 . 1 . . . . . . . . 6361 1 543 . 1 1 46 46 LEU CD1 C 13 25.300 0.2 . 2 . . . . . . . . 6361 1 544 . 1 1 46 46 LEU HD11 H 1 0.769 0.02 . 2 . . . . . . . . 6361 1 545 . 1 1 46 46 LEU HD12 H 1 0.769 0.02 . 2 . . . . . . . . 6361 1 546 . 1 1 46 46 LEU HD13 H 1 0.769 0.02 . 2 . . . . . . . . 6361 1 547 . 1 1 46 46 LEU HG H 1 1.732 0.02 . 1 . . . . . . . . 6361 1 548 . 1 1 47 47 LYS H H 1 8.628 0.02 . 1 . . . . . . . . 6361 1 549 . 1 1 47 47 LYS N N 15 117.400 0.1 . 1 . . . . . . . . 6361 1 550 . 1 1 47 47 LYS CA C 13 61.421 0.2 . 1 . . . . . . . . 6361 1 551 . 1 1 47 47 LYS HA H 1 3.780 0.02 . 1 . . . . . . . . 6361 1 552 . 1 1 47 47 LYS C C 13 176.208 0.2 . 1 . . . . . . . . 6361 1 553 . 1 1 47 47 LYS CB C 13 32.110 0.2 . 1 . . . . . . . . 6361 1 554 . 1 1 47 47 LYS HB2 H 1 1.727 0.02 . 2 . . . . . . . . 6361 1 555 . 1 1 47 47 LYS HB3 H 1 1.787 0.02 . 2 . . . . . . . . 6361 1 556 . 1 1 47 47 LYS CG C 13 29.663 0.2 . 1 . . . . . . . . 6361 1 557 . 1 1 47 47 LYS HG2 H 1 1.524 0.02 . 2 . . . . . . . . 6361 1 558 . 1 1 47 47 LYS HG3 H 1 1.635 0.02 . 2 . . . . . . . . 6361 1 559 . 1 1 47 47 LYS CD C 13 27.162 0.2 . 1 . . . . . . . . 6361 1 560 . 1 1 47 47 LYS HD2 H 1 1.241 0.02 . 2 . . . . . . . . 6361 1 561 . 1 1 47 47 LYS HD3 H 1 1.536 0.02 . 2 . . . . . . . . 6361 1 562 . 1 1 47 47 LYS HE2 H 1 2.946 0.02 . 2 . . . . . . . . 6361 1 563 . 1 1 48 48 LYS H H 1 8.332 0.02 . 1 . . . . . . . . 6361 1 564 . 1 1 48 48 LYS N N 15 121.400 0.1 . 1 . . . . . . . . 6361 1 565 . 1 1 48 48 LYS CA C 13 59.340 0.2 . 1 . . . . . . . . 6361 1 566 . 1 1 48 48 LYS HA H 1 4.080 0.02 . 1 . . . . . . . . 6361 1 567 . 1 1 48 48 LYS C C 13 179.216 0.2 . 1 . . . . . . . . 6361 1 568 . 1 1 48 48 LYS CB C 13 31.832 0.2 . 1 . . . . . . . . 6361 1 569 . 1 1 48 48 LYS HB2 H 1 1.883 0.02 . 2 . . . . . . . . 6361 1 570 . 1 1 48 48 LYS CG C 13 24.661 0.2 . 1 . . . . . . . . 6361 1 571 . 1 1 48 48 LYS HG2 H 1 1.523 0.02 . 2 . . . . . . . . 6361 1 572 . 1 1 48 48 LYS HE2 H 1 3.017 0.02 . 2 . . . . . . . . 6361 1 573 . 1 1 49 49 ASN H H 1 8.796 0.02 . 1 . . . . . . . . 6361 1 574 . 1 1 49 49 ASN N N 15 117.400 0.1 . 1 . . . . . . . . 6361 1 575 . 1 1 49 49 ASN CA C 13 55.626 0.2 . 1 . . . . . . . . 6361 1 576 . 1 1 49 49 ASN HA H 1 4.371 0.02 . 1 . . . . . . . . 6361 1 577 . 1 1 49 49 ASN C C 13 180.639 0.2 . 1 . . . . . . . . 6361 1 578 . 1 1 49 49 ASN CB C 13 37.401 0.2 . 1 . . . . . . . . 6361 1 579 . 1 1 49 49 ASN HB2 H 1 2.783 0.02 . 2 . . . . . . . . 6361 1 580 . 1 1 49 49 ASN HB3 H 1 3.482 0.02 . 2 . . . . . . . . 6361 1 581 . 1 1 49 49 ASN ND2 N 15 111.763 0.1 . 1 . . . . . . . . 6361 1 582 . 1 1 49 49 ASN HD21 H 1 6.575 0.02 . 2 . . . . . . . . 6361 1 583 . 1 1 49 49 ASN HD22 H 1 9.316 0.02 . 2 . . . . . . . . 6361 1 584 . 1 1 50 50 VAL H H 1 8.774 0.02 . 1 . . . . . . . . 6361 1 585 . 1 1 50 50 VAL N N 15 121.610 0.1 . 1 . . . . . . . . 6361 1 586 . 1 1 50 50 VAL CA C 13 67.589 0.2 . 1 . . . . . . . . 6361 1 587 . 1 1 50 50 VAL HA H 1 3.815 0.02 . 1 . . . . . . . . 6361 1 588 . 1 1 50 50 VAL C C 13 176.666 0.2 . 1 . . . . . . . . 6361 1 589 . 1 1 50 50 VAL CB C 13 31.429 0.2 . 1 . . . . . . . . 6361 1 590 . 1 1 50 50 VAL HB H 1 2.331 0.02 . 1 . . . . . . . . 6361 1 591 . 1 1 50 50 VAL CG1 C 13 22.786 0.2 . 2 . . . . . . . . 6361 1 592 . 1 1 50 50 VAL HG11 H 1 0.982 0.02 . 2 . . . . . . . . 6361 1 593 . 1 1 50 50 VAL HG12 H 1 0.982 0.02 . 2 . . . . . . . . 6361 1 594 . 1 1 50 50 VAL HG13 H 1 0.982 0.02 . 2 . . . . . . . . 6361 1 595 . 1 1 50 50 VAL CG2 C 13 23.098 0.2 . 2 . . . . . . . . 6361 1 596 . 1 1 50 50 VAL HG21 H 1 1.307 0.02 . 2 . . . . . . . . 6361 1 597 . 1 1 50 50 VAL HG22 H 1 1.307 0.02 . 2 . . . . . . . . 6361 1 598 . 1 1 50 50 VAL HG23 H 1 1.307 0.02 . 2 . . . . . . . . 6361 1 599 . 1 1 51 51 GLY H H 1 8.057 0.02 . 1 . . . . . . . . 6361 1 600 . 1 1 51 51 GLY N N 15 103.600 0.1 . 1 . . . . . . . . 6361 1 601 . 1 1 51 51 GLY CA C 13 46.825 0.2 . 1 . . . . . . . . 6361 1 602 . 1 1 51 51 GLY HA2 H 1 3.790 0.02 . 2 . . . . . . . . 6361 1 603 . 1 1 51 51 GLY HA3 H 1 4.150 0.02 . 2 . . . . . . . . 6361 1 604 . 1 1 51 51 GLY C C 13 173.947 0.2 . 1 . . . . . . . . 6361 1 605 . 1 1 52 52 GLN H H 1 7.342 0.02 . 1 . . . . . . . . 6361 1 606 . 1 1 52 52 GLN N N 15 114.640 0.1 . 1 . . . . . . . . 6361 1 607 . 1 1 52 52 GLN CA C 13 55.398 0.2 . 1 . . . . . . . . 6361 1 608 . 1 1 52 52 GLN HA H 1 4.161 0.02 . 1 . . . . . . . . 6361 1 609 . 1 1 52 52 GLN C C 13 174.560 0.2 . 1 . . . . . . . . 6361 1 610 . 1 1 52 52 GLN CB C 13 30.412 0.2 . 1 . . . . . . . . 6361 1 611 . 1 1 52 52 GLN HB2 H 1 2.166 0.02 . 2 . . . . . . . . 6361 1 612 . 1 1 52 52 GLN HB3 H 1 2.410 0.02 . 2 . . . . . . . . 6361 1 613 . 1 1 52 52 GLN CG C 13 34.039 0.2 . 1 . . . . . . . . 6361 1 614 . 1 1 52 52 GLN HG2 H 1 2.407 0.02 . 2 . . . . . . . . 6361 1 615 . 1 1 52 52 GLN HG3 H 1 2.666 0.02 . 2 . . . . . . . . 6361 1 616 . 1 1 52 52 GLN NE2 N 15 116.606 0.1 . 1 . . . . . . . . 6361 1 617 . 1 1 52 52 GLN HE21 H 1 7.263 0.02 . 2 . . . . . . . . 6361 1 618 . 1 1 52 52 GLN HE22 H 1 7.822 0.02 . 2 . . . . . . . . 6361 1 619 . 1 1 53 53 PHE H H 1 7.630 0.02 . 1 . . . . . . . . 6361 1 620 . 1 1 53 53 PHE N N 15 121.100 0.1 . 1 . . . . . . . . 6361 1 621 . 1 1 53 53 PHE CA C 13 60.488 0.2 . 1 . . . . . . . . 6361 1 622 . 1 1 53 53 PHE HA H 1 4.254 0.02 . 1 . . . . . . . . 6361 1 623 . 1 1 53 53 PHE C C 13 177.107 0.2 . 1 . . . . . . . . 6361 1 624 . 1 1 53 53 PHE CB C 13 39.504 0.2 . 1 . . . . . . . . 6361 1 625 . 1 1 53 53 PHE HB2 H 1 3.098 0.02 . 2 . . . . . . . . 6361 1 626 . 1 1 53 53 PHE HB3 H 1 3.671 0.02 . 2 . . . . . . . . 6361 1 627 . 1 1 53 53 PHE CD1 C 13 129.391 0.2 . 3 . . . . . . . . 6361 1 628 . 1 1 53 53 PHE HD1 H 1 7.361 0.02 . 3 . . . . . . . . 6361 1 629 . 1 1 53 53 PHE CE1 C 13 126.054 0.2 . 3 . . . . . . . . 6361 1 630 . 1 1 53 53 PHE HE1 H 1 6.749 0.02 . 3 . . . . . . . . 6361 1 631 . 1 1 54 54 SER H H 1 8.560 0.02 . 1 . . . . . . . . 6361 1 632 . 1 1 54 54 SER N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 633 . 1 1 54 54 SER CA C 13 56.594 0.2 . 1 . . . . . . . . 6361 1 634 . 1 1 54 54 SER HA H 1 4.290 0.02 . 1 . . . . . . . . 6361 1 635 . 1 1 54 54 SER CB C 13 63.643 0.2 . 1 . . . . . . . . 6361 1 636 . 1 1 54 54 SER HB2 H 1 4.170 0.02 . 2 . . . . . . . . 6361 1 637 . 1 1 55 55 GLY CA C 13 42.890 0.2 . 1 . . . . . . . . 6361 1 638 . 1 1 55 55 GLY HA2 H 1 3.579 0.02 . 2 . . . . . . . . 6361 1 639 . 1 1 55 55 GLY HA3 H 1 4.371 0.02 . 2 . . . . . . . . 6361 1 640 . 1 1 55 55 GLY C C 13 174.384 0.2 . 1 . . . . . . . . 6361 1 641 . 1 1 56 56 PHE H H 1 7.470 0.02 . 1 . . . . . . . . 6361 1 642 . 1 1 56 56 PHE N N 15 120.830 0.1 . 1 . . . . . . . . 6361 1 643 . 1 1 56 56 PHE CA C 13 55.816 0.2 . 1 . . . . . . . . 6361 1 644 . 1 1 56 56 PHE HA H 1 4.284 0.02 . 1 . . . . . . . . 6361 1 645 . 1 1 56 56 PHE C C 13 174.318 0.2 . 1 . . . . . . . . 6361 1 646 . 1 1 56 56 PHE CB C 13 37.152 0.2 . 1 . . . . . . . . 6361 1 647 . 1 1 56 56 PHE HB2 H 1 2.240 0.02 . 2 . . . . . . . . 6361 1 648 . 1 1 56 56 PHE HB3 H 1 2.458 0.02 . 2 . . . . . . . . 6361 1 649 . 1 1 56 56 PHE HD1 H 1 6.750 0.02 . 3 . . . . . . . . 6361 1 650 . 1 1 56 56 PHE HE1 H 1 6.928 0.02 . 3 . . . . . . . . 6361 1 651 . 1 1 57 57 PRO CA C 13 62.485 0.2 . 1 . . . . . . . . 6361 1 652 . 1 1 57 57 PRO HA H 1 4.709 0.02 . 1 . . . . . . . . 6361 1 653 . 1 1 57 57 PRO C C 13 174.653 0.2 . 1 . . . . . . . . 6361 1 654 . 1 1 57 57 PRO CB C 13 32.481 0.2 . 1 . . . . . . . . 6361 1 655 . 1 1 57 57 PRO HB2 H 1 2.096 0.02 . 2 . . . . . . . . 6361 1 656 . 1 1 57 57 PRO HB3 H 1 2.666 0.02 . 2 . . . . . . . . 6361 1 657 . 1 1 57 57 PRO CG C 13 27.800 0.2 . 1 . . . . . . . . 6361 1 658 . 1 1 57 57 PRO HG2 H 1 2.154 0.02 . 2 . . . . . . . . 6361 1 659 . 1 1 57 57 PRO HG3 H 1 2.267 0.02 . 2 . . . . . . . . 6361 1 660 . 1 1 57 57 PRO CD C 13 50.900 0.2 . 1 . . . . . . . . 6361 1 661 . 1 1 57 57 PRO HD2 H 1 3.780 0.02 . 2 . . . . . . . . 6361 1 662 . 1 1 58 58 PHE H H 1 6.724 0.02 . 1 . . . . . . . . 6361 1 663 . 1 1 58 58 PHE N N 15 115.779 0.1 . 1 . . . . . . . . 6361 1 664 . 1 1 58 58 PHE CA C 13 54.352 0.2 . 1 . . . . . . . . 6361 1 665 . 1 1 58 58 PHE HA H 1 4.961 0.02 . 1 . . . . . . . . 6361 1 666 . 1 1 58 58 PHE C C 13 174.318 0.2 . 1 . . . . . . . . 6361 1 667 . 1 1 58 58 PHE CB C 13 39.479 0.2 . 1 . . . . . . . . 6361 1 668 . 1 1 58 58 PHE HB2 H 1 3.227 0.02 . 2 . . . . . . . . 6361 1 669 . 1 1 58 58 PHE HB3 H 1 3.464 0.02 . 2 . . . . . . . . 6361 1 670 . 1 1 58 58 PHE CD1 C 13 128.396 0.2 . 3 . . . . . . . . 6361 1 671 . 1 1 58 58 PHE HD1 H 1 7.040 0.02 . 3 . . . . . . . . 6361 1 672 . 1 1 58 58 PHE CE1 C 13 126.054 0.2 . 3 . . . . . . . . 6361 1 673 . 1 1 58 58 PHE HE1 H 1 6.959 0.02 . 3 . . . . . . . . 6361 1 674 . 1 1 59 59 GLU H H 1 8.836 0.02 . 1 . . . . . . . . 6361 1 675 . 1 1 59 59 GLU N N 15 115.798 0.1 . 1 . . . . . . . . 6361 1 676 . 1 1 59 59 GLU CA C 13 55.258 0.2 . 1 . . . . . . . . 6361 1 677 . 1 1 59 59 GLU HA H 1 4.605 0.02 . 1 . . . . . . . . 6361 1 678 . 1 1 59 59 GLU C C 13 178.639 0.2 . 1 . . . . . . . . 6361 1 679 . 1 1 59 59 GLU CB C 13 31.483 0.2 . 1 . . . . . . . . 6361 1 680 . 1 1 59 59 GLU HB2 H 1 1.941 0.02 . 2 . . . . . . . . 6361 1 681 . 1 1 59 59 GLU HB3 H 1 2.207 0.02 . 2 . . . . . . . . 6361 1 682 . 1 1 59 59 GLU CG C 13 35.915 0.2 . 1 . . . . . . . . 6361 1 683 . 1 1 59 59 GLU HG2 H 1 2.369 0.02 . 2 . . . . . . . . 6361 1 684 . 1 1 59 59 GLU HG3 H 1 2.463 0.02 . 2 . . . . . . . . 6361 1 685 . 1 1 60 60 LYS H H 1 9.281 0.02 . 1 . . . . . . . . 6361 1 686 . 1 1 60 60 LYS N N 15 124.600 0.1 . 1 . . . . . . . . 6361 1 687 . 1 1 60 60 LYS CA C 13 58.458 0.2 . 1 . . . . . . . . 6361 1 688 . 1 1 60 60 LYS HA H 1 3.197 0.02 . 1 . . . . . . . . 6361 1 689 . 1 1 60 60 LYS C C 13 176.934 0.2 . 1 . . . . . . . . 6361 1 690 . 1 1 60 60 LYS CB C 13 30.893 0.2 . 1 . . . . . . . . 6361 1 691 . 1 1 60 60 LYS HB2 H 1 1.573 0.02 . 2 . . . . . . . . 6361 1 692 . 1 1 60 60 LYS HB3 H 1 1.615 0.02 . 2 . . . . . . . . 6361 1 693 . 1 1 60 60 LYS CG C 13 24.974 0.2 . 1 . . . . . . . . 6361 1 694 . 1 1 60 60 LYS HG2 H 1 0.939 0.02 . 2 . . . . . . . . 6361 1 695 . 1 1 60 60 LYS HG3 H 1 1.007 0.02 . 2 . . . . . . . . 6361 1 696 . 1 1 60 60 LYS CD C 13 29.350 0.2 . 1 . . . . . . . . 6361 1 697 . 1 1 60 60 LYS HD2 H 1 1.620 0.02 . 2 . . . . . . . . 6361 1 698 . 1 1 60 60 LYS HE2 H 1 2.942 0.02 . 2 . . . . . . . . 6361 1 699 . 1 1 60 60 LYS HE3 H 1 2.975 0.02 . 2 . . . . . . . . 6361 1 700 . 1 1 61 61 GLY H H 1 6.064 0.02 . 1 . . . . . . . . 6361 1 701 . 1 1 61 61 GLY N N 15 110.800 0.1 . 1 . . . . . . . . 6361 1 702 . 1 1 61 61 GLY CA C 13 45.156 0.2 . 1 . . . . . . . . 6361 1 703 . 1 1 61 61 GLY HA2 H 1 3.725 0.02 . 2 . . . . . . . . 6361 1 704 . 1 1 61 61 GLY HA3 H 1 4.126 0.02 . 2 . . . . . . . . 6361 1 705 . 1 1 61 61 GLY C C 13 173.047 0.2 . 1 . . . . . . . . 6361 1 706 . 1 1 62 62 SER H H 1 7.434 0.02 . 1 . . . . . . . . 6361 1 707 . 1 1 62 62 SER N N 15 114.264 0.2 . 1 . . . . . . . . 6361 1 708 . 1 1 62 62 SER CA C 13 57.991 0.2 . 1 . . . . . . . . 6361 1 709 . 1 1 62 62 SER HA H 1 4.448 0.02 . 1 . . . . . . . . 6361 1 710 . 1 1 62 62 SER C C 13 174.706 0.2 . 1 . . . . . . . . 6361 1 711 . 1 1 62 62 SER CB C 13 66.234 0.2 . 1 . . . . . . . . 6361 1 712 . 1 1 62 62 SER HB2 H 1 4.099 0.02 . 2 . . . . . . . . 6361 1 713 . 1 1 63 63 VAL H H 1 8.851 0.02 . 1 . . . . . . . . 6361 1 714 . 1 1 63 63 VAL N N 15 120.900 0.1 . 1 . . . . . . . . 6361 1 715 . 1 1 63 63 VAL CA C 13 66.616 0.2 . 1 . . . . . . . . 6361 1 716 . 1 1 63 63 VAL HA H 1 3.673 0.02 . 1 . . . . . . . . 6361 1 717 . 1 1 63 63 VAL C C 13 178.518 0.2 . 1 . . . . . . . . 6361 1 718 . 1 1 63 63 VAL CB C 13 31.514 0.2 . 1 . . . . . . . . 6361 1 719 . 1 1 63 63 VAL HB H 1 2.053 0.02 . 1 . . . . . . . . 6361 1 720 . 1 1 63 63 VAL CG1 C 13 20.597 0.2 . 2 . . . . . . . . 6361 1 721 . 1 1 63 63 VAL HG11 H 1 0.940 0.02 . 2 . . . . . . . . 6361 1 722 . 1 1 63 63 VAL HG12 H 1 0.940 0.02 . 2 . . . . . . . . 6361 1 723 . 1 1 63 63 VAL HG13 H 1 0.940 0.02 . 2 . . . . . . . . 6361 1 724 . 1 1 63 63 VAL CG2 C 13 21.848 0.2 . 2 . . . . . . . . 6361 1 725 . 1 1 63 63 VAL HG21 H 1 1.088 0.02 . 2 . . . . . . . . 6361 1 726 . 1 1 63 63 VAL HG22 H 1 1.088 0.02 . 2 . . . . . . . . 6361 1 727 . 1 1 63 63 VAL HG23 H 1 1.088 0.02 . 2 . . . . . . . . 6361 1 728 . 1 1 64 64 GLN H H 1 8.219 0.02 . 1 . . . . . . . . 6361 1 729 . 1 1 64 64 GLN N N 15 117.150 0.1 . 1 . . . . . . . . 6361 1 730 . 1 1 64 64 GLN CA C 13 59.584 0.2 . 1 . . . . . . . . 6361 1 731 . 1 1 64 64 GLN HA H 1 3.534 0.02 . 1 . . . . . . . . 6361 1 732 . 1 1 64 64 GLN C C 13 177.790 0.2 . 1 . . . . . . . . 6361 1 733 . 1 1 64 64 GLN CB C 13 27.329 0.2 . 1 . . . . . . . . 6361 1 734 . 1 1 64 64 GLN HB2 H 1 0.704 0.02 . 2 . . . . . . . . 6361 1 735 . 1 1 64 64 GLN HB3 H 1 0.763 0.02 . 2 . . . . . . . . 6361 1 736 . 1 1 64 64 GLN CG C 13 34.664 0.2 . 1 . . . . . . . . 6361 1 737 . 1 1 64 64 GLN HG2 H 1 2.207 0.02 . 2 . . . . . . . . 6361 1 738 . 1 1 64 64 GLN NE2 N 15 112.870 0.1 . 1 . . . . . . . . 6361 1 739 . 1 1 64 64 GLN HE21 H 1 7.018 0.02 . 2 . . . . . . . . 6361 1 740 . 1 1 64 64 GLN HE22 H 1 7.570 0.02 . 2 . . . . . . . . 6361 1 741 . 1 1 65 65 TYR H H 1 7.087 0.02 . 1 . . . . . . . . 6361 1 742 . 1 1 65 65 TYR N N 15 120.300 0.1 . 1 . . . . . . . . 6361 1 743 . 1 1 65 65 TYR CA C 13 62.019 0.2 . 1 . . . . . . . . 6361 1 744 . 1 1 65 65 TYR HA H 1 3.536 0.02 . 1 . . . . . . . . 6361 1 745 . 1 1 65 65 TYR C C 13 176.634 0.2 . 1 . . . . . . . . 6361 1 746 . 1 1 65 65 TYR CB C 13 38.479 0.2 . 1 . . . . . . . . 6361 1 747 . 1 1 65 65 TYR HB2 H 1 3.050 0.02 . 2 . . . . . . . . 6361 1 748 . 1 1 65 65 TYR HB3 H 1 3.414 0.02 . 2 . . . . . . . . 6361 1 749 . 1 1 65 65 TYR CD1 C 13 129.099 0.2 . 3 . . . . . . . . 6361 1 750 . 1 1 65 65 TYR HD1 H 1 7.221 0.02 . 3 . . . . . . . . 6361 1 751 . 1 1 65 65 TYR CE1 C 13 114.814 0.2 . 3 . . . . . . . . 6361 1 752 . 1 1 65 65 TYR HE1 H 1 6.915 0.02 . 3 . . . . . . . . 6361 1 753 . 1 1 66 66 LYS H H 1 8.254 0.02 . 1 . . . . . . . . 6361 1 754 . 1 1 66 66 LYS N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 755 . 1 1 66 66 LYS CA C 13 59.198 0.2 . 1 . . . . . . . . 6361 1 756 . 1 1 66 66 LYS HA H 1 4.065 0.02 . 1 . . . . . . . . 6361 1 757 . 1 1 66 66 LYS C C 13 179.473 0.2 . 1 . . . . . . . . 6361 1 758 . 1 1 66 66 LYS CB C 13 31.822 0.2 . 1 . . . . . . . . 6361 1 759 . 1 1 66 66 LYS HB2 H 1 1.939 0.02 . 2 . . . . . . . . 6361 1 760 . 1 1 66 66 LYS CG C 13 29.037 0.2 . 1 . . . . . . . . 6361 1 761 . 1 1 66 66 LYS HG2 H 1 1.723 0.02 . 2 . . . . . . . . 6361 1 762 . 1 1 66 66 LYS CD C 13 24.661 0.2 . 1 . . . . . . . . 6361 1 763 . 1 1 66 66 LYS HD2 H 1 1.447 0.02 . 2 . . . . . . . . 6361 1 764 . 1 1 66 66 LYS HD3 H 1 1.524 0.02 . 2 . . . . . . . . 6361 1 765 . 1 1 66 66 LYS HE2 H 1 2.988 0.02 . 2 . . . . . . . . 6361 1 766 . 1 1 67 67 LYS H H 1 7.827 0.02 . 1 . . . . . . . . 6361 1 767 . 1 1 67 67 LYS N N 15 118.200 0.1 . 1 . . . . . . . . 6361 1 768 . 1 1 67 67 LYS CA C 13 58.854 0.2 . 1 . . . . . . . . 6361 1 769 . 1 1 67 67 LYS HA H 1 4.010 0.02 . 1 . . . . . . . . 6361 1 770 . 1 1 67 67 LYS C C 13 179.969 0.2 . 1 . . . . . . . . 6361 1 771 . 1 1 67 67 LYS CB C 13 31.748 0.2 . 1 . . . . . . . . 6361 1 772 . 1 1 67 67 LYS HB2 H 1 1.744 0.02 . 2 . . . . . . . . 6361 1 773 . 1 1 67 67 LYS HB3 H 1 1.816 0.02 . 2 . . . . . . . . 6361 1 774 . 1 1 67 67 LYS CG C 13 24.974 0.2 . 1 . . . . . . . . 6361 1 775 . 1 1 67 67 LYS HG2 H 1 1.419 0.02 . 2 . . . . . . . . 6361 1 776 . 1 1 67 67 LYS HG3 H 1 1.529 0.02 . 2 . . . . . . . . 6361 1 777 . 1 1 67 67 LYS CD C 13 28.412 0.2 . 1 . . . . . . . . 6361 1 778 . 1 1 67 67 LYS HD2 H 1 1.581 0.02 . 2 . . . . . . . . 6361 1 779 . 1 1 67 67 LYS HE2 H 1 2.837 0.02 . 2 . . . . . . . . 6361 1 780 . 1 1 67 67 LYS HE3 H 1 2.871 0.02 . 2 . . . . . . . . 6361 1 781 . 1 1 68 68 LYS H H 1 7.465 0.02 . 1 . . . . . . . . 6361 1 782 . 1 1 68 68 LYS N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 783 . 1 1 68 68 LYS CA C 13 57.117 0.2 . 1 . . . . . . . . 6361 1 784 . 1 1 68 68 LYS HA H 1 4.161 0.02 . 1 . . . . . . . . 6361 1 785 . 1 1 68 68 LYS C C 13 178.073 0.2 . 1 . . . . . . . . 6361 1 786 . 1 1 68 68 LYS CB C 13 30.472 0.2 . 1 . . . . . . . . 6361 1 787 . 1 1 68 68 LYS HB2 H 1 1.681 0.02 . 2 . . . . . . . . 6361 1 788 . 1 1 68 68 LYS HB3 H 1 1.848 0.02 . 2 . . . . . . . . 6361 1 789 . 1 1 68 68 LYS CG C 13 26.849 0.2 . 1 . . . . . . . . 6361 1 790 . 1 1 68 68 LYS HG2 H 1 1.607 0.02 . 2 . . . . . . . . 6361 1 791 . 1 1 68 68 LYS CE C 13 43.104 0.2 . 1 . . . . . . . . 6361 1 792 . 1 1 68 68 LYS HE2 H 1 3.203 0.02 . 2 . . . . . . . . 6361 1 793 . 1 1 69 69 GLU H H 1 8.020 0.02 . 1 . . . . . . . . 6361 1 794 . 1 1 69 69 GLU N N 15 119.500 0.1 . 1 . . . . . . . . 6361 1 795 . 1 1 69 69 GLU CA C 13 60.505 0.2 . 1 . . . . . . . . 6361 1 796 . 1 1 69 69 GLU HA H 1 3.503 0.02 . 1 . . . . . . . . 6361 1 797 . 1 1 69 69 GLU C C 13 175.902 0.2 . 1 . . . . . . . . 6361 1 798 . 1 1 69 69 GLU CB C 13 29.807 0.2 . 1 . . . . . . . . 6361 1 799 . 1 1 69 69 GLU HB2 H 1 1.764 0.02 . 2 . . . . . . . . 6361 1 800 . 1 1 69 69 GLU HB3 H 1 2.117 0.02 . 2 . . . . . . . . 6361 1 801 . 1 1 69 69 GLU CG C 13 36.852 0.2 . 1 . . . . . . . . 6361 1 802 . 1 1 69 69 GLU HG2 H 1 1.915 0.02 . 2 . . . . . . . . 6361 1 803 . 1 1 69 69 GLU HG3 H 1 1.949 0.02 . 2 . . . . . . . . 6361 1 804 . 1 1 70 70 GLU H H 1 8.106 0.02 . 1 . . . . . . . . 6361 1 805 . 1 1 70 70 GLU N N 15 116.654 0.1 . 1 . . . . . . . . 6361 1 806 . 1 1 70 70 GLU CA C 13 59.019 0.2 . 1 . . . . . . . . 6361 1 807 . 1 1 70 70 GLU HA H 1 3.997 0.02 . 1 . . . . . . . . 6361 1 808 . 1 1 70 70 GLU C C 13 178.627 0.2 . 1 . . . . . . . . 6361 1 809 . 1 1 70 70 GLU CB C 13 29.559 0.2 . 1 . . . . . . . . 6361 1 810 . 1 1 70 70 GLU HB2 H 1 1.650 0.02 . 2 . . . . . . . . 6361 1 811 . 1 1 71 71 MET H H 1 7.543 0.02 . 1 . . . . . . . . 6361 1 812 . 1 1 71 71 MET N N 15 118.000 0.1 . 1 . . . . . . . . 6361 1 813 . 1 1 71 71 MET CA C 13 58.994 0.2 . 1 . . . . . . . . 6361 1 814 . 1 1 71 71 MET HA H 1 3.851 0.02 . 1 . . . . . . . . 6361 1 815 . 1 1 71 71 MET C C 13 178.559 0.2 . 1 . . . . . . . . 6361 1 816 . 1 1 71 71 MET CB C 13 32.993 0.2 . 1 . . . . . . . . 6361 1 817 . 1 1 71 71 MET HB2 H 1 1.998 0.02 . 2 . . . . . . . . 6361 1 818 . 1 1 71 71 MET HB3 H 1 2.169 0.02 . 2 . . . . . . . . 6361 1 819 . 1 1 71 71 MET CG C 13 31.538 0.2 . 1 . . . . . . . . 6361 1 820 . 1 1 71 71 MET HG2 H 1 2.594 0.02 . 2 . . . . . . . . 6361 1 821 . 1 1 72 72 LEU H H 1 7.769 0.02 . 1 . . . . . . . . 6361 1 822 . 1 1 72 72 LEU N N 15 118.200 0.1 . 1 . . . . . . . . 6361 1 823 . 1 1 72 72 LEU CA C 13 57.230 0.2 . 1 . . . . . . . . 6361 1 824 . 1 1 72 72 LEU HA H 1 3.380 0.02 . 1 . . . . . . . . 6361 1 825 . 1 1 72 72 LEU C C 13 178.796 0.2 . 1 . . . . . . . . 6361 1 826 . 1 1 72 72 LEU CB C 13 43.292 0.2 . 1 . . . . . . . . 6361 1 827 . 1 1 72 72 LEU HB2 H 1 1.371 0.02 . 2 . . . . . . . . 6361 1 828 . 1 1 72 72 LEU HB3 H 1 1.831 0.02 . 2 . . . . . . . . 6361 1 829 . 1 1 72 72 LEU CG C 13 27.162 0.2 . 1 . . . . . . . . 6361 1 830 . 1 1 72 72 LEU CD1 C 13 24.349 0.2 . 2 . . . . . . . . 6361 1 831 . 1 1 72 72 LEU HD11 H 1 0.688 0.02 . 2 . . . . . . . . 6361 1 832 . 1 1 72 72 LEU HD12 H 1 0.688 0.02 . 2 . . . . . . . . 6361 1 833 . 1 1 72 72 LEU HD13 H 1 0.688 0.02 . 2 . . . . . . . . 6361 1 834 . 1 1 72 72 LEU CD2 C 13 26.224 0.2 . 2 . . . . . . . . 6361 1 835 . 1 1 72 72 LEU HD21 H 1 0.783 0.02 . 2 . . . . . . . . 6361 1 836 . 1 1 72 72 LEU HD22 H 1 0.783 0.02 . 2 . . . . . . . . 6361 1 837 . 1 1 72 72 LEU HD23 H 1 0.783 0.02 . 2 . . . . . . . . 6361 1 838 . 1 1 72 72 LEU HG H 1 1.562 0.02 . 1 . . . . . . . . 6361 1 839 . 1 1 73 73 LYS H H 1 7.960 0.02 . 1 . . . . . . . . 6361 1 840 . 1 1 73 73 LYS N N 15 116.192 0.1 . 1 . . . . . . . . 6361 1 841 . 1 1 73 73 LYS CA C 13 58.957 0.2 . 1 . . . . . . . . 6361 1 842 . 1 1 73 73 LYS HA H 1 3.983 0.02 . 1 . . . . . . . . 6361 1 843 . 1 1 73 73 LYS C C 13 177.373 0.2 . 1 . . . . . . . . 6361 1 844 . 1 1 73 73 LYS CB C 13 32.447 0.2 . 1 . . . . . . . . 6361 1 845 . 1 1 73 73 LYS HB2 H 1 1.828 0.02 . 2 . . . . . . . . 6361 1 846 . 1 1 73 73 LYS HB3 H 1 1.932 0.02 . 2 . . . . . . . . 6361 1 847 . 1 1 73 73 LYS CG C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 848 . 1 1 73 73 LYS HG2 H 1 1.473 0.02 . 2 . . . . . . . . 6361 1 849 . 1 1 73 73 LYS HG3 H 1 1.728 0.02 . 2 . . . . . . . . 6361 1 850 . 1 1 73 73 LYS HE2 H 1 2.858 0.02 . 2 . . . . . . . . 6361 1 851 . 1 1 73 73 LYS HE3 H 1 2.922 0.02 . 2 . . . . . . . . 6361 1 852 . 1 1 74 74 LYS H H 1 7.124 0.02 . 1 . . . . . . . . 6361 1 853 . 1 1 74 74 LYS N N 15 116.136 0.1 . 1 . . . . . . . . 6361 1 854 . 1 1 74 74 LYS CA C 13 56.363 0.2 . 1 . . . . . . . . 6361 1 855 . 1 1 74 74 LYS HA H 1 4.350 0.02 . 1 . . . . . . . . 6361 1 856 . 1 1 74 74 LYS C C 13 177.670 0.2 . 1 . . . . . . . . 6361 1 857 . 1 1 74 74 LYS CB C 13 32.722 0.2 . 1 . . . . . . . . 6361 1 858 . 1 1 74 74 LYS HB2 H 1 1.790 0.02 . 2 . . . . . . . . 6361 1 859 . 1 1 74 74 LYS HB3 H 1 1.851 0.02 . 2 . . . . . . . . 6361 1 860 . 1 1 74 74 LYS CG C 13 24.349 0.2 . 1 . . . . . . . . 6361 1 861 . 1 1 74 74 LYS HG2 H 1 1.428 0.02 . 2 . . . . . . . . 6361 1 862 . 1 1 74 74 LYS HG3 H 1 1.474 0.02 . 2 . . . . . . . . 6361 1 863 . 1 1 74 74 LYS CD C 13 29.000 0.2 . 1 . . . . . . . . 6361 1 864 . 1 1 74 74 LYS HD2 H 1 1.687 0.02 . 2 . . . . . . . . 6361 1 865 . 1 1 74 74 LYS CE C 13 41.541 0.2 . 1 . . . . . . . . 6361 1 866 . 1 1 74 74 LYS HE2 H 1 3.002 0.02 . 2 . . . . . . . . 6361 1 867 . 1 1 75 75 PHE H H 1 7.577 0.02 . 1 . . . . . . . . 6361 1 868 . 1 1 75 75 PHE N N 15 120.300 0.1 . 1 . . . . . . . . 6361 1 869 . 1 1 75 75 PHE CA C 13 55.660 0.2 . 1 . . . . . . . . 6361 1 870 . 1 1 75 75 PHE HA H 1 4.824 0.02 . 1 . . . . . . . . 6361 1 871 . 1 1 75 75 PHE C C 13 175.955 0.2 . 1 . . . . . . . . 6361 1 872 . 1 1 75 75 PHE CB C 13 38.049 0.2 . 1 . . . . . . . . 6361 1 873 . 1 1 75 75 PHE HB2 H 1 3.052 0.02 . 2 . . . . . . . . 6361 1 874 . 1 1 75 75 PHE HB3 H 1 3.516 0.02 . 2 . . . . . . . . 6361 1 875 . 1 1 75 75 PHE HD1 H 1 7.142 0.02 . 3 . . . . . . . . 6361 1 876 . 1 1 75 75 PHE HE1 H 1 7.142 0.02 . 3 . . . . . . . . 6361 1 877 . 1 1 76 76 ARG H H 1 8.298 0.02 . 1 . . . . . . . . 6361 1 878 . 1 1 76 76 ARG N N 15 118.643 0.1 . 1 . . . . . . . . 6361 1 879 . 1 1 76 76 ARG CA C 13 55.381 0.2 . 1 . . . . . . . . 6361 1 880 . 1 1 76 76 ARG HA H 1 4.517 0.02 . 1 . . . . . . . . 6361 1 881 . 1 1 76 76 ARG CB C 13 31.114 0.2 . 1 . . . . . . . . 6361 1 882 . 1 1 76 76 ARG HB2 H 1 1.882 0.02 . 2 . . . . . . . . 6361 1 883 . 1 1 76 76 ARG HB3 H 1 2.275 0.02 . 2 . . . . . . . . 6361 1 884 . 1 1 76 76 ARG CG C 13 27.787 0.2 . 1 . . . . . . . . 6361 1 885 . 1 1 76 76 ARG HG2 H 1 1.911 0.02 . 2 . . . . . . . . 6361 1 886 . 1 1 76 76 ARG CD C 13 42.792 0.2 . 1 . . . . . . . . 6361 1 887 . 1 1 76 76 ARG HD2 H 1 3.336 0.02 . 2 . . . . . . . . 6361 1 888 . 1 1 77 77 ASN H H 1 9.312 0.02 . 1 . . . . . . . . 6361 1 889 . 1 1 77 77 ASN N N 15 121.661 0.1 . 1 . . . . . . . . 6361 1 890 . 1 1 77 77 ASN CA C 13 59.213 0.2 . 1 . . . . . . . . 6361 1 891 . 1 1 77 77 ASN HA H 1 4.266 0.02 . 1 . . . . . . . . 6361 1 892 . 1 1 77 77 ASN C C 13 177.097 0.2 . 1 . . . . . . . . 6361 1 893 . 1 1 77 77 ASN CB C 13 40.089 0.2 . 1 . . . . . . . . 6361 1 894 . 1 1 77 77 ASN HB2 H 1 2.625 0.02 . 2 . . . . . . . . 6361 1 895 . 1 1 77 77 ASN HB3 H 1 3.421 0.02 . 2 . . . . . . . . 6361 1 896 . 1 1 77 77 ASN ND2 N 15 110.200 0.1 . 1 . . . . . . . . 6361 1 897 . 1 1 77 77 ASN HD21 H 1 7.062 0.02 . 2 . . . . . . . . 6361 1 898 . 1 1 77 77 ASN HD22 H 1 7.970 0.02 . 2 . . . . . . . . 6361 1 899 . 1 1 78 78 ALA H H 1 9.059 0.02 . 1 . . . . . . . . 6361 1 900 . 1 1 78 78 ALA N N 15 118.200 0.1 . 1 . . . . . . . . 6361 1 901 . 1 1 78 78 ALA CA C 13 55.490 0.2 . 1 . . . . . . . . 6361 1 902 . 1 1 78 78 ALA HA H 1 3.990 0.02 . 1 . . . . . . . . 6361 1 903 . 1 1 78 78 ALA C C 13 180.512 0.2 . 1 . . . . . . . . 6361 1 904 . 1 1 78 78 ALA CB C 13 18.423 0.2 . 1 . . . . . . . . 6361 1 905 . 1 1 78 78 ALA HB1 H 1 1.470 0.02 . 1 . . . . . . . . 6361 1 906 . 1 1 78 78 ALA HB2 H 1 1.470 0.02 . 1 . . . . . . . . 6361 1 907 . 1 1 78 78 ALA HB3 H 1 1.470 0.02 . 1 . . . . . . . . 6361 1 908 . 1 1 79 79 MET H H 1 7.162 0.02 . 1 . . . . . . . . 6361 1 909 . 1 1 79 79 MET N N 15 116.896 0.1 . 1 . . . . . . . . 6361 1 910 . 1 1 79 79 MET CA C 13 57.446 0.2 . 1 . . . . . . . . 6361 1 911 . 1 1 79 79 MET HA H 1 4.341 0.02 . 1 . . . . . . . . 6361 1 912 . 1 1 79 79 MET C C 13 178.909 0.2 . 1 . . . . . . . . 6361 1 913 . 1 1 79 79 MET CB C 13 32.536 0.2 . 1 . . . . . . . . 6361 1 914 . 1 1 79 79 MET HB2 H 1 2.061 0.02 . 2 . . . . . . . . 6361 1 915 . 1 1 79 79 MET HB3 H 1 2.219 0.02 . 2 . . . . . . . . 6361 1 916 . 1 1 79 79 MET CG C 13 31.538 0.2 . 1 . . . . . . . . 6361 1 917 . 1 1 79 79 MET HG2 H 1 2.273 0.02 . 2 . . . . . . . . 6361 1 918 . 1 1 80 80 LEU H H 1 7.949 0.02 . 1 . . . . . . . . 6361 1 919 . 1 1 80 80 LEU N N 15 119.500 0.1 . 1 . . . . . . . . 6361 1 920 . 1 1 80 80 LEU CA C 13 58.194 0.2 . 1 . . . . . . . . 6361 1 921 . 1 1 80 80 LEU HA H 1 3.980 0.02 . 1 . . . . . . . . 6361 1 922 . 1 1 80 80 LEU C C 13 179.522 0.2 . 1 . . . . . . . . 6361 1 923 . 1 1 80 80 LEU CB C 13 42.776 0.2 . 1 . . . . . . . . 6361 1 924 . 1 1 80 80 LEU HB2 H 1 1.283 0.02 . 2 . . . . . . . . 6361 1 925 . 1 1 80 80 LEU HB3 H 1 2.152 0.02 . 2 . . . . . . . . 6361 1 926 . 1 1 80 80 LEU CG C 13 26.849 0.2 . 1 . . . . . . . . 6361 1 927 . 1 1 80 80 LEU CD1 C 13 24.036 0.2 . 2 . . . . . . . . 6361 1 928 . 1 1 80 80 LEU HD11 H 1 0.899 0.02 . 2 . . . . . . . . 6361 1 929 . 1 1 80 80 LEU HD12 H 1 0.899 0.02 . 2 . . . . . . . . 6361 1 930 . 1 1 80 80 LEU HD13 H 1 0.899 0.02 . 2 . . . . . . . . 6361 1 931 . 1 1 80 80 LEU CD2 C 13 25.912 0.2 . 2 . . . . . . . . 6361 1 932 . 1 1 80 80 LEU HD21 H 1 0.961 0.02 . 2 . . . . . . . . 6361 1 933 . 1 1 80 80 LEU HD22 H 1 0.961 0.02 . 2 . . . . . . . . 6361 1 934 . 1 1 80 80 LEU HD23 H 1 0.961 0.02 . 2 . . . . . . . . 6361 1 935 . 1 1 80 80 LEU HG H 1 1.767 0.02 . 1 . . . . . . . . 6361 1 936 . 1 1 81 81 LYS H H 1 8.738 0.02 . 1 . . . . . . . . 6361 1 937 . 1 1 81 81 LYS N N 15 118.700 0.1 . 1 . . . . . . . . 6361 1 938 . 1 1 81 81 LYS CA C 13 61.549 0.2 . 1 . . . . . . . . 6361 1 939 . 1 1 81 81 LYS HA H 1 3.779 0.02 . 1 . . . . . . . . 6361 1 940 . 1 1 81 81 LYS CB C 13 32.653 0.2 . 1 . . . . . . . . 6361 1 941 . 1 1 81 81 LYS HB2 H 1 1.801 0.02 . 2 . . . . . . . . 6361 1 942 . 1 1 81 81 LYS CG C 13 29.350 0.2 . 1 . . . . . . . . 6361 1 943 . 1 1 81 81 LYS HG2 H 1 1.737 0.02 . 2 . . . . . . . . 6361 1 944 . 1 1 81 81 LYS CD C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 945 . 1 1 81 81 LYS HD2 H 1 1.527 0.02 . 2 . . . . . . . . 6361 1 946 . 1 1 81 81 LYS HD3 H 1 1.726 0.02 . 2 . . . . . . . . 6361 1 947 . 1 1 81 81 LYS HE2 H 1 3.029 0.02 . 2 . . . . . . . . 6361 1 948 . 1 1 82 82 SER H H 1 7.648 0.02 . 1 . . . . . . . . 6361 1 949 . 1 1 82 82 SER N N 15 114.555 0.1 . 1 . . . . . . . . 6361 1 950 . 1 1 82 82 SER CA C 13 61.682 0.2 . 1 . . . . . . . . 6361 1 951 . 1 1 82 82 SER HA H 1 4.043 0.02 . 1 . . . . . . . . 6361 1 952 . 1 1 82 82 SER C C 13 177.063 0.2 . 1 . . . . . . . . 6361 1 953 . 1 1 82 82 SER CB C 13 62.774 0.2 . 1 . . . . . . . . 6361 1 954 . 1 1 82 82 SER HB2 H 1 3.962 0.02 . 2 . . . . . . . . 6361 1 955 . 1 1 83 83 ILE H H 1 7.701 0.02 . 1 . . . . . . . . 6361 1 956 . 1 1 83 83 ILE N N 15 121.900 0.1 . 1 . . . . . . . . 6361 1 957 . 1 1 83 83 ILE CA C 13 65.004 0.2 . 1 . . . . . . . . 6361 1 958 . 1 1 83 83 ILE HA H 1 3.679 0.02 . 1 . . . . . . . . 6361 1 959 . 1 1 83 83 ILE C C 13 177.769 0.2 . 1 . . . . . . . . 6361 1 960 . 1 1 83 83 ILE CB C 13 37.286 0.2 . 1 . . . . . . . . 6361 1 961 . 1 1 83 83 ILE HB H 1 2.065 0.02 . 1 . . . . . . . . 6361 1 962 . 1 1 83 83 ILE CG2 C 13 18.722 0.2 . 1 . . . . . . . . 6361 1 963 . 1 1 83 83 ILE HG21 H 1 0.801 0.02 . 1 . . . . . . . . 6361 1 964 . 1 1 83 83 ILE HG22 H 1 0.801 0.02 . 1 . . . . . . . . 6361 1 965 . 1 1 83 83 ILE HG23 H 1 0.801 0.02 . 1 . . . . . . . . 6361 1 966 . 1 1 83 83 ILE CG1 C 13 29.350 0.2 . 1 . . . . . . . . 6361 1 967 . 1 1 83 83 ILE HG12 H 1 1.866 0.02 . 2 . . . . . . . . 6361 1 968 . 1 1 83 83 ILE HG13 H 1 0.994 0.02 . 2 . . . . . . . . 6361 1 969 . 1 1 83 83 ILE CD1 C 13 12.782 0.2 . 1 . . . . . . . . 6361 1 970 . 1 1 83 83 ILE HD11 H 1 0.722 0.02 . 1 . . . . . . . . 6361 1 971 . 1 1 83 83 ILE HD12 H 1 0.722 0.02 . 1 . . . . . . . . 6361 1 972 . 1 1 83 83 ILE HD13 H 1 0.722 0.02 . 1 . . . . . . . . 6361 1 973 . 1 1 84 84 CYS H H 1 8.108 0.02 . 1 . . . . . . . . 6361 1 974 . 1 1 84 84 CYS N N 15 116.920 0.1 . 1 . . . . . . . . 6361 1 975 . 1 1 84 84 CYS CA C 13 65.502 0.2 . 1 . . . . . . . . 6361 1 976 . 1 1 84 84 CYS HA H 1 3.730 0.02 . 1 . . . . . . . . 6361 1 977 . 1 1 84 84 CYS CB C 13 29.430 0.2 . 1 . . . . . . . . 6361 1 978 . 1 1 84 84 CYS HB2 H 1 2.584 0.02 . 2 . . . . . . . . 6361 1 979 . 1 1 84 84 CYS HB3 H 1 3.131 0.02 . 2 . . . . . . . . 6361 1 980 . 1 1 85 85 GLU CA C 13 59.277 0.2 . 1 . . . . . . . . 6361 1 981 . 1 1 85 85 GLU C C 13 179.108 0.2 . 1 . . . . . . . . 6361 1 982 . 1 1 86 86 VAL H H 1 7.185 0.02 . 1 . . . . . . . . 6361 1 983 . 1 1 86 86 VAL N N 15 116.350 0.1 . 1 . . . . . . . . 6361 1 984 . 1 1 86 86 VAL CA C 13 64.380 0.2 . 1 . . . . . . . . 6361 1 985 . 1 1 86 86 VAL HA H 1 3.760 0.02 . 1 . . . . . . . . 6361 1 986 . 1 1 86 86 VAL C C 13 173.025 0.2 . 1 . . . . . . . . 6361 1 987 . 1 1 86 86 VAL CB C 13 31.618 0.2 . 1 . . . . . . . . 6361 1 988 . 1 1 86 86 VAL HB H 1 2.069 0.02 . 1 . . . . . . . . 6361 1 989 . 1 1 86 86 VAL CG1 C 13 21.535 0.2 . 2 . . . . . . . . 6361 1 990 . 1 1 86 86 VAL HG11 H 1 0.987 0.02 . 2 . . . . . . . . 6361 1 991 . 1 1 86 86 VAL HG12 H 1 0.987 0.02 . 2 . . . . . . . . 6361 1 992 . 1 1 86 86 VAL HG13 H 1 0.987 0.02 . 2 . . . . . . . . 6361 1 993 . 1 1 86 86 VAL CG2 C 13 22.786 0.2 . 2 . . . . . . . . 6361 1 994 . 1 1 86 86 VAL HG21 H 1 1.025 0.02 . 2 . . . . . . . . 6361 1 995 . 1 1 86 86 VAL HG22 H 1 1.025 0.02 . 2 . . . . . . . . 6361 1 996 . 1 1 86 86 VAL HG23 H 1 1.025 0.02 . 2 . . . . . . . . 6361 1 997 . 1 1 87 87 LEU H H 1 7.004 0.02 . 1 . . . . . . . . 6361 1 998 . 1 1 87 87 LEU N N 15 113.100 0.1 . 1 . . . . . . . . 6361 1 999 . 1 1 87 87 LEU CA C 13 53.510 0.2 . 1 . . . . . . . . 6361 1 1000 . 1 1 87 87 LEU HA H 1 4.214 0.02 . 1 . . . . . . . . 6361 1 1001 . 1 1 87 87 LEU C C 13 173.846 0.2 . 1 . . . . . . . . 6361 1 1002 . 1 1 87 87 LEU CB C 13 40.342 0.2 . 1 . . . . . . . . 6361 1 1003 . 1 1 87 87 LEU HB2 H 1 1.193 0.02 . 2 . . . . . . . . 6361 1 1004 . 1 1 87 87 LEU HB3 H 1 1.281 0.02 . 2 . . . . . . . . 6361 1 1005 . 1 1 87 87 LEU CG C 13 25.912 0.2 . 1 . . . . . . . . 6361 1 1006 . 1 1 87 87 LEU CD1 C 13 26.849 0.2 . 2 . . . . . . . . 6361 1 1007 . 1 1 87 87 LEU HD11 H 1 0.793 0.02 . 2 . . . . . . . . 6361 1 1008 . 1 1 87 87 LEU HD12 H 1 0.793 0.02 . 2 . . . . . . . . 6361 1 1009 . 1 1 87 87 LEU HD13 H 1 0.793 0.02 . 2 . . . . . . . . 6361 1 1010 . 1 1 87 87 LEU CD2 C 13 21.535 0.2 . 2 . . . . . . . . 6361 1 1011 . 1 1 87 87 LEU HD21 H 1 0.860 0.02 . 2 . . . . . . . . 6361 1 1012 . 1 1 87 87 LEU HD22 H 1 0.860 0.02 . 2 . . . . . . . . 6361 1 1013 . 1 1 87 87 LEU HD23 H 1 0.860 0.02 . 2 . . . . . . . . 6361 1 1014 . 1 1 87 87 LEU HG H 1 1.959 0.02 . 1 . . . . . . . . 6361 1 1015 . 1 1 88 88 ASP H H 1 7.702 0.02 . 1 . . . . . . . . 6361 1 1016 . 1 1 88 88 ASP N N 15 116.400 0.1 . 1 . . . . . . . . 6361 1 1017 . 1 1 88 88 ASP CA C 13 54.250 0.2 . 1 . . . . . . . . 6361 1 1018 . 1 1 88 88 ASP HA H 1 4.298 0.02 . 1 . . . . . . . . 6361 1 1019 . 1 1 88 88 ASP C C 13 175.065 0.2 . 1 . . . . . . . . 6361 1 1020 . 1 1 88 88 ASP CB C 13 40.567 0.2 . 1 . . . . . . . . 6361 1 1021 . 1 1 88 88 ASP HB2 H 1 2.070 0.02 . 2 . . . . . . . . 6361 1 1022 . 1 1 88 88 ASP HB3 H 1 3.473 0.02 . 2 . . . . . . . . 6361 1 1023 . 1 1 89 89 LEU H H 1 8.427 0.02 . 1 . . . . . . . . 6361 1 1024 . 1 1 89 89 LEU N N 15 117.200 0.1 . 1 . . . . . . . . 6361 1 1025 . 1 1 89 89 LEU CA C 13 52.152 0.2 . 1 . . . . . . . . 6361 1 1026 . 1 1 89 89 LEU HA H 1 4.562 0.02 . 1 . . . . . . . . 6361 1 1027 . 1 1 89 89 LEU C C 13 177.341 0.2 . 1 . . . . . . . . 6361 1 1028 . 1 1 89 89 LEU CB C 13 44.450 0.2 . 1 . . . . . . . . 6361 1 1029 . 1 1 89 89 LEU HB2 H 1 1.195 0.02 . 2 . . . . . . . . 6361 1 1030 . 1 1 89 89 LEU HB3 H 1 1.404 0.02 . 2 . . . . . . . . 6361 1 1031 . 1 1 89 89 LEU CG C 13 25.286 0.2 . 1 . . . . . . . . 6361 1 1032 . 1 1 89 89 LEU CD1 C 13 22.160 0.2 . 2 . . . . . . . . 6361 1 1033 . 1 1 89 89 LEU HD11 H 1 0.573 0.02 . 2 . . . . . . . . 6361 1 1034 . 1 1 89 89 LEU HD12 H 1 0.573 0.02 . 2 . . . . . . . . 6361 1 1035 . 1 1 89 89 LEU HD13 H 1 0.573 0.02 . 2 . . . . . . . . 6361 1 1036 . 1 1 89 89 LEU CD2 C 13 26.537 0.2 . 2 . . . . . . . . 6361 1 1037 . 1 1 89 89 LEU HD21 H 1 0.663 0.02 . 2 . . . . . . . . 6361 1 1038 . 1 1 89 89 LEU HD22 H 1 0.663 0.02 . 2 . . . . . . . . 6361 1 1039 . 1 1 89 89 LEU HD23 H 1 0.663 0.02 . 2 . . . . . . . . 6361 1 1040 . 1 1 89 89 LEU HG H 1 1.212 0.02 . 1 . . . . . . . . 6361 1 1041 . 1 1 90 90 GLU CA C 13 63.015 0.2 . 1 . . . . . . . . 6361 1 1042 . 1 1 90 90 GLU HA H 1 3.367 0.02 . 1 . . . . . . . . 6361 1 1043 . 1 1 90 90 GLU C C 13 177.341 0.2 . 1 . . . . . . . . 6361 1 1044 . 1 1 91 91 ARG H H 1 8.376 0.02 . 1 . . . . . . . . 6361 1 1045 . 1 1 91 91 ARG N N 15 121.138 0.1 . 1 . . . . . . . . 6361 1 1046 . 1 1 91 91 ARG CA C 13 56.401 0.2 . 1 . . . . . . . . 6361 1 1047 . 1 1 91 91 ARG HA H 1 4.325 0.02 . 1 . . . . . . . . 6361 1 1048 . 1 1 91 91 ARG C C 13 175.341 0.2 . 1 . . . . . . . . 6361 1 1049 . 1 1 91 91 ARG CB C 13 31.712 0.2 . 1 . . . . . . . . 6361 1 1050 . 1 1 91 91 ARG HB2 H 1 1.819 0.02 . 2 . . . . . . . . 6361 1 1051 . 1 1 91 91 ARG CG C 13 27.474 0.2 . 1 . . . . . . . . 6361 1 1052 . 1 1 91 91 ARG HG2 H 1 1.676 0.02 . 2 . . . . . . . . 6361 1 1053 . 1 1 91 91 ARG HD2 H 1 3.103 0.02 . 2 . . . . . . . . 6361 1 1054 . 1 1 91 91 ARG HD3 H 1 3.225 0.02 . 2 . . . . . . . . 6361 1 1055 . 1 1 92 92 SER H H 1 7.719 0.02 . 1 . . . . . . . . 6361 1 1056 . 1 1 92 92 SER N N 15 113.922 0.1 . 1 . . . . . . . . 6361 1 1057 . 1 1 92 92 SER CA C 13 58.274 0.2 . 1 . . . . . . . . 6361 1 1058 . 1 1 92 92 SER HA H 1 4.433 0.02 . 1 . . . . . . . . 6361 1 1059 . 1 1 92 92 SER C C 13 173.962 0.2 . 1 . . . . . . . . 6361 1 1060 . 1 1 92 92 SER CB C 13 64.348 0.2 . 1 . . . . . . . . 6361 1 1061 . 1 1 92 92 SER HB2 H 1 3.889 0.02 . 2 . . . . . . . . 6361 1 1062 . 1 1 93 93 GLY H H 1 8.417 0.02 . 1 . . . . . . . . 6361 1 1063 . 1 1 93 93 GLY N N 15 110.000 0.1 . 1 . . . . . . . . 6361 1 1064 . 1 1 93 93 GLY CA C 13 43.776 0.2 . 1 . . . . . . . . 6361 1 1065 . 1 1 93 93 GLY HA2 H 1 3.869 0.02 . 2 . . . . . . . . 6361 1 1066 . 1 1 93 93 GLY HA3 H 1 4.565 0.02 . 2 . . . . . . . . 6361 1 1067 . 1 1 93 93 GLY C C 13 174.535 0.2 . 1 . . . . . . . . 6361 1 1068 . 1 1 94 94 VAL H H 1 8.056 0.02 . 1 . . . . . . . . 6361 1 1069 . 1 1 94 94 VAL N N 15 111.800 0.1 . 1 . . . . . . . . 6361 1 1070 . 1 1 94 94 VAL CA C 13 60.743 0.2 . 1 . . . . . . . . 6361 1 1071 . 1 1 94 94 VAL HA H 1 4.475 0.02 . 1 . . . . . . . . 6361 1 1072 . 1 1 94 94 VAL C C 13 177.791 0.2 . 1 . . . . . . . . 6361 1 1073 . 1 1 94 94 VAL CB C 13 32.616 0.2 . 1 . . . . . . . . 6361 1 1074 . 1 1 94 94 VAL HB H 1 2.539 0.02 . 1 . . . . . . . . 6361 1 1075 . 1 1 94 94 VAL CG1 C 13 21.848 0.2 . 2 . . . . . . . . 6361 1 1076 . 1 1 94 94 VAL HG11 H 1 1.077 0.02 . 2 . . . . . . . . 6361 1 1077 . 1 1 94 94 VAL HG12 H 1 1.077 0.02 . 2 . . . . . . . . 6361 1 1078 . 1 1 94 94 VAL HG13 H 1 1.077 0.02 . 2 . . . . . . . . 6361 1 1079 . 1 1 95 95 ASN H H 1 8.877 0.02 . 1 . . . . . . . . 6361 1 1080 . 1 1 95 95 ASN N N 15 120.600 0.1 . 1 . . . . . . . . 6361 1 1081 . 1 1 95 95 ASN CA C 13 57.715 0.2 . 1 . . . . . . . . 6361 1 1082 . 1 1 95 95 ASN HA H 1 4.212 0.02 . 1 . . . . . . . . 6361 1 1083 . 1 1 95 95 ASN C C 13 177.310 0.2 . 1 . . . . . . . . 6361 1 1084 . 1 1 95 95 ASN CB C 13 37.325 0.2 . 1 . . . . . . . . 6361 1 1085 . 1 1 95 95 ASN HB2 H 1 2.805 0.02 . 2 . . . . . . . . 6361 1 1086 . 1 1 95 95 ASN HB3 H 1 2.946 0.02 . 2 . . . . . . . . 6361 1 1087 . 1 1 95 95 ASN ND2 N 15 109.723 0.1 . 1 . . . . . . . . 6361 1 1088 . 1 1 95 95 ASN HD21 H 1 6.712 0.02 . 2 . . . . . . . . 6361 1 1089 . 1 1 95 95 ASN HD22 H 1 7.579 0.02 . 2 . . . . . . . . 6361 1 1090 . 1 1 96 96 SER H H 1 8.806 0.02 . 1 . . . . . . . . 6361 1 1091 . 1 1 96 96 SER N N 15 112.600 0.1 . 1 . . . . . . . . 6361 1 1092 . 1 1 96 96 SER CA C 13 61.534 0.2 . 1 . . . . . . . . 6361 1 1093 . 1 1 96 96 SER HA H 1 4.002 0.02 . 1 . . . . . . . . 6361 1 1094 . 1 1 96 96 SER C C 13 177.350 0.2 . 1 . . . . . . . . 6361 1 1095 . 1 1 96 96 SER CB C 13 61.780 0.2 . 1 . . . . . . . . 6361 1 1096 . 1 1 96 96 SER HB2 H 1 3.912 0.02 . 2 . . . . . . . . 6361 1 1097 . 1 1 97 97 GLU H H 1 7.290 0.02 . 1 . . . . . . . . 6361 1 1098 . 1 1 97 97 GLU N N 15 121.400 0.1 . 1 . . . . . . . . 6361 1 1099 . 1 1 97 97 GLU CA C 13 58.534 0.2 . 1 . . . . . . . . 6361 1 1100 . 1 1 97 97 GLU HA H 1 4.152 0.02 . 1 . . . . . . . . 6361 1 1101 . 1 1 97 97 GLU C C 13 179.037 0.2 . 1 . . . . . . . . 6361 1 1102 . 1 1 97 97 GLU CB C 13 29.693 0.2 . 1 . . . . . . . . 6361 1 1103 . 1 1 97 97 GLU HB2 H 1 2.100 0.02 . 2 . . . . . . . . 6361 1 1104 . 1 1 97 97 GLU HB3 H 1 2.318 0.02 . 2 . . . . . . . . 6361 1 1105 . 1 1 97 97 GLU CG C 13 36.227 0.2 . 1 . . . . . . . . 6361 1 1106 . 1 1 97 97 GLU HG2 H 1 2.288 0.02 . 2 . . . . . . . . 6361 1 1107 . 1 1 98 98 LEU H H 1 7.660 0.02 . 1 . . . . . . . . 6361 1 1108 . 1 1 98 98 LEU N N 15 121.100 0.1 . 1 . . . . . . . . 6361 1 1109 . 1 1 98 98 LEU CA C 13 58.995 0.2 . 1 . . . . . . . . 6361 1 1110 . 1 1 98 98 LEU HA H 1 3.872 0.02 . 1 . . . . . . . . 6361 1 1111 . 1 1 98 98 LEU C C 13 178.503 0.2 . 1 . . . . . . . . 6361 1 1112 . 1 1 98 98 LEU CB C 13 42.016 0.2 . 1 . . . . . . . . 6361 1 1113 . 1 1 98 98 LEU HB2 H 1 1.213 0.02 . 2 . . . . . . . . 6361 1 1114 . 1 1 98 98 LEU HB3 H 1 2.036 0.02 . 2 . . . . . . . . 6361 1 1115 . 1 1 98 98 LEU CG C 13 28.100 0.2 . 1 . . . . . . . . 6361 1 1116 . 1 1 98 98 LEU CD1 C 13 23.723 0.2 . 2 . . . . . . . . 6361 1 1117 . 1 1 98 98 LEU HD11 H 1 0.693 0.02 . 2 . . . . . . . . 6361 1 1118 . 1 1 98 98 LEU HD12 H 1 0.693 0.02 . 2 . . . . . . . . 6361 1 1119 . 1 1 98 98 LEU HD13 H 1 0.693 0.02 . 2 . . . . . . . . 6361 1 1120 . 1 1 98 98 LEU CD2 C 13 26.224 0.2 . 2 . . . . . . . . 6361 1 1121 . 1 1 98 98 LEU HD21 H 1 0.746 0.02 . 2 . . . . . . . . 6361 1 1122 . 1 1 98 98 LEU HD22 H 1 0.746 0.02 . 2 . . . . . . . . 6361 1 1123 . 1 1 98 98 LEU HD23 H 1 0.746 0.02 . 2 . . . . . . . . 6361 1 1124 . 1 1 98 98 LEU HG H 1 1.604 0.02 . 1 . . . . . . . . 6361 1 1125 . 1 1 99 99 VAL H H 1 8.443 0.02 . 1 . . . . . . . . 6361 1 1126 . 1 1 99 99 VAL N N 15 117.700 0.1 . 1 . . . . . . . . 6361 1 1127 . 1 1 99 99 VAL CA C 13 67.782 0.2 . 1 . . . . . . . . 6361 1 1128 . 1 1 99 99 VAL HA H 1 3.304 0.02 . 1 . . . . . . . . 6361 1 1129 . 1 1 99 99 VAL C C 13 176.864 0.2 . 1 . . . . . . . . 6361 1 1130 . 1 1 99 99 VAL CB C 13 32.318 0.2 . 1 . . . . . . . . 6361 1 1131 . 1 1 99 99 VAL HB H 1 2.110 0.02 . 1 . . . . . . . . 6361 1 1132 . 1 1 99 99 VAL CG1 C 13 21.223 0.2 . 2 . . . . . . . . 6361 1 1133 . 1 1 99 99 VAL HG11 H 1 0.960 0.02 . 2 . . . . . . . . 6361 1 1134 . 1 1 99 99 VAL HG12 H 1 0.960 0.02 . 2 . . . . . . . . 6361 1 1135 . 1 1 99 99 VAL HG13 H 1 0.960 0.02 . 2 . . . . . . . . 6361 1 1136 . 1 1 100 100 LYS H H 1 7.110 0.02 . 1 . . . . . . . . 6361 1 1137 . 1 1 100 100 LYS N N 15 116.361 0.1 . 1 . . . . . . . . 6361 1 1138 . 1 1 100 100 LYS CA C 13 59.532 0.2 . 1 . . . . . . . . 6361 1 1139 . 1 1 100 100 LYS HA H 1 3.972 0.02 . 1 . . . . . . . . 6361 1 1140 . 1 1 100 100 LYS C C 13 178.174 0.2 . 1 . . . . . . . . 6361 1 1141 . 1 1 100 100 LYS CB C 13 32.707 0.2 . 1 . . . . . . . . 6361 1 1142 . 1 1 100 100 LYS HB2 H 1 1.926 0.02 . 2 . . . . . . . . 6361 1 1143 . 1 1 100 100 LYS CG C 13 24.974 0.2 . 1 . . . . . . . . 6361 1 1144 . 1 1 100 100 LYS HG2 H 1 1.530 0.02 . 2 . . . . . . . . 6361 1 1145 . 1 1 100 100 LYS HG3 H 1 1.669 0.02 . 2 . . . . . . . . 6361 1 1146 . 1 1 100 100 LYS CD C 13 29.350 0.2 . 1 . . . . . . . . 6361 1 1147 . 1 1 100 100 LYS HD2 H 1 1.761 0.02 . 2 . . . . . . . . 6361 1 1148 . 1 1 100 100 LYS HE2 H 1 3.014 0.02 . 2 . . . . . . . . 6361 1 1149 . 1 1 101 101 ARG H H 1 7.977 0.02 . 1 . . . . . . . . 6361 1 1150 . 1 1 101 101 ARG N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 1151 . 1 1 101 101 ARG CA C 13 59.609 0.2 . 1 . . . . . . . . 6361 1 1152 . 1 1 101 101 ARG HA H 1 4.109 0.02 . 1 . . . . . . . . 6361 1 1153 . 1 1 101 101 ARG C C 13 179.881 0.2 . 1 . . . . . . . . 6361 1 1154 . 1 1 101 101 ARG CB C 13 31.475 0.2 . 1 . . . . . . . . 6361 1 1155 . 1 1 101 101 ARG HB2 H 1 1.826 0.02 . 2 . . . . . . . . 6361 1 1156 . 1 1 101 101 ARG HB3 H 1 2.008 0.02 . 2 . . . . . . . . 6361 1 1157 . 1 1 101 101 ARG CG C 13 27.474 0.2 . 1 . . . . . . . . 6361 1 1158 . 1 1 101 101 ARG HG2 H 1 1.784 0.02 . 2 . . . . . . . . 6361 1 1159 . 1 1 101 101 ARG HG3 H 1 1.914 0.02 . 2 . . . . . . . . 6361 1 1160 . 1 1 101 101 ARG HD2 H 1 3.575 0.02 . 2 . . . . . . . . 6361 1 1161 . 1 1 102 102 ILE H H 1 8.492 0.02 . 1 . . . . . . . . 6361 1 1162 . 1 1 102 102 ILE N N 15 119.800 0.1 . 1 . . . . . . . . 6361 1 1163 . 1 1 102 102 ILE CA C 13 65.885 0.2 . 1 . . . . . . . . 6361 1 1164 . 1 1 102 102 ILE HA H 1 3.484 0.02 . 1 . . . . . . . . 6361 1 1165 . 1 1 102 102 ILE C C 13 177.555 0.2 . 1 . . . . . . . . 6361 1 1166 . 1 1 102 102 ILE CB C 13 38.736 0.2 . 1 . . . . . . . . 6361 1 1167 . 1 1 102 102 ILE HB H 1 1.823 0.02 . 1 . . . . . . . . 6361 1 1168 . 1 1 102 102 ILE CG2 C 13 18.409 0.2 . 1 . . . . . . . . 6361 1 1169 . 1 1 102 102 ILE HG21 H 1 0.778 0.02 . 1 . . . . . . . . 6361 1 1170 . 1 1 102 102 ILE HG22 H 1 0.778 0.02 . 1 . . . . . . . . 6361 1 1171 . 1 1 102 102 ILE HG23 H 1 0.778 0.02 . 1 . . . . . . . . 6361 1 1172 . 1 1 102 102 ILE CG1 C 13 30.606 0.2 . 1 . . . . . . . . 6361 1 1173 . 1 1 102 102 ILE HG12 H 1 1.896 0.02 . 2 . . . . . . . . 6361 1 1174 . 1 1 102 102 ILE CD1 C 13 15.283 0.2 . 1 . . . . . . . . 6361 1 1175 . 1 1 102 102 ILE HD11 H 1 0.862 0.02 . 1 . . . . . . . . 6361 1 1176 . 1 1 102 102 ILE HD12 H 1 0.862 0.02 . 1 . . . . . . . . 6361 1 1177 . 1 1 102 102 ILE HD13 H 1 0.862 0.02 . 1 . . . . . . . . 6361 1 1178 . 1 1 103 103 LEU H H 1 8.413 0.02 . 1 . . . . . . . . 6361 1 1179 . 1 1 103 103 LEU N N 15 119.000 0.1 . 1 . . . . . . . . 6361 1 1180 . 1 1 103 103 LEU CA C 13 58.927 0.2 . 1 . . . . . . . . 6361 1 1181 . 1 1 103 103 LEU HA H 1 4.007 0.02 . 1 . . . . . . . . 6361 1 1182 . 1 1 103 103 LEU C C 13 178.270 0.2 . 1 . . . . . . . . 6361 1 1183 . 1 1 103 103 LEU CB C 13 41.385 0.2 . 1 . . . . . . . . 6361 1 1184 . 1 1 103 103 LEU HB2 H 1 1.744 0.02 . 2 . . . . . . . . 6361 1 1185 . 1 1 103 103 LEU CG C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 1186 . 1 1 103 103 LEU CD1 C 13 23.411 0.2 . 2 . . . . . . . . 6361 1 1187 . 1 1 103 103 LEU HD11 H 1 0.495 0.02 . 2 . . . . . . . . 6361 1 1188 . 1 1 103 103 LEU HD12 H 1 0.495 0.02 . 2 . . . . . . . . 6361 1 1189 . 1 1 103 103 LEU HD13 H 1 0.495 0.02 . 2 . . . . . . . . 6361 1 1190 . 1 1 103 103 LEU CD2 C 13 24.349 0.2 . 2 . . . . . . . . 6361 1 1191 . 1 1 103 103 LEU HD21 H 1 0.649 0.02 . 2 . . . . . . . . 6361 1 1192 . 1 1 103 103 LEU HD22 H 1 0.649 0.02 . 2 . . . . . . . . 6361 1 1193 . 1 1 103 103 LEU HD23 H 1 0.649 0.02 . 2 . . . . . . . . 6361 1 1194 . 1 1 103 103 LEU HG H 1 1.673 0.02 . 1 . . . . . . . . 6361 1 1195 . 1 1 104 104 ASN H H 1 8.534 0.02 . 1 . . . . . . . . 6361 1 1196 . 1 1 104 104 ASN N N 15 114.635 0.1 . 1 . . . . . . . . 6361 1 1197 . 1 1 104 104 ASN CA C 13 56.378 0.2 . 1 . . . . . . . . 6361 1 1198 . 1 1 104 104 ASN HA H 1 4.511 0.02 . 1 . . . . . . . . 6361 1 1199 . 1 1 104 104 ASN C C 13 178.732 0.2 . 1 . . . . . . . . 6361 1 1200 . 1 1 104 104 ASN CB C 13 38.207 0.2 . 1 . . . . . . . . 6361 1 1201 . 1 1 104 104 ASN HB2 H 1 2.882 0.02 . 2 . . . . . . . . 6361 1 1202 . 1 1 104 104 ASN HB3 H 1 3.036 0.02 . 2 . . . . . . . . 6361 1 1203 . 1 1 104 104 ASN ND2 N 15 112.612 0.1 . 1 . . . . . . . . 6361 1 1204 . 1 1 104 104 ASN HD21 H 1 6.992 0.02 . 2 . . . . . . . . 6361 1 1205 . 1 1 104 104 ASN HD22 H 1 7.783 0.02 . 2 . . . . . . . . 6361 1 1206 . 1 1 105 105 PHE H H 1 7.797 0.02 . 1 . . . . . . . . 6361 1 1207 . 1 1 105 105 PHE N N 15 119.800 0.1 . 1 . . . . . . . . 6361 1 1208 . 1 1 105 105 PHE CA C 13 62.228 0.2 . 1 . . . . . . . . 6361 1 1209 . 1 1 105 105 PHE HA H 1 4.280 0.02 . 1 . . . . . . . . 6361 1 1210 . 1 1 105 105 PHE C C 13 177.222 0.2 . 1 . . . . . . . . 6361 1 1211 . 1 1 105 105 PHE CB C 13 40.236 0.2 . 1 . . . . . . . . 6361 1 1212 . 1 1 105 105 PHE HB2 H 1 3.239 0.02 . 2 . . . . . . . . 6361 1 1213 . 1 1 105 105 PHE HB3 H 1 3.396 0.02 . 2 . . . . . . . . 6361 1 1214 . 1 1 105 105 PHE CD1 C 13 128.396 0.2 . 3 . . . . . . . . 6361 1 1215 . 1 1 105 105 PHE HD1 H 1 7.323 0.02 . 3 . . . . . . . . 6361 1 1216 . 1 1 105 105 PHE CE1 C 13 126.523 0.2 . 3 . . . . . . . . 6361 1 1217 . 1 1 105 105 PHE HE1 H 1 7.617 0.02 . 3 . . . . . . . . 6361 1 1218 . 1 1 106 106 LEU H H 1 8.626 0.02 . 1 . . . . . . . . 6361 1 1219 . 1 1 106 106 LEU N N 15 116.600 0.1 . 1 . . . . . . . . 6361 1 1220 . 1 1 106 106 LEU CA C 13 56.821 0.2 . 1 . . . . . . . . 6361 1 1221 . 1 1 106 106 LEU HA H 1 3.870 0.02 . 1 . . . . . . . . 6361 1 1222 . 1 1 106 106 LEU C C 13 178.023 0.2 . 1 . . . . . . . . 6361 1 1223 . 1 1 106 106 LEU CB C 13 41.658 0.2 . 1 . . . . . . . . 6361 1 1224 . 1 1 106 106 LEU HB2 H 1 1.056 0.02 . 2 . . . . . . . . 6361 1 1225 . 1 1 106 106 LEU HB3 H 1 1.894 0.02 . 2 . . . . . . . . 6361 1 1226 . 1 1 106 106 LEU CG C 13 26.537 0.2 . 1 . . . . . . . . 6361 1 1227 . 1 1 106 106 LEU CD1 C 13 27.162 0.2 . 2 . . . . . . . . 6361 1 1228 . 1 1 106 106 LEU HD11 H 1 0.677 0.02 . 2 . . . . . . . . 6361 1 1229 . 1 1 106 106 LEU HD12 H 1 0.677 0.02 . 2 . . . . . . . . 6361 1 1230 . 1 1 106 106 LEU HD13 H 1 0.677 0.02 . 2 . . . . . . . . 6361 1 1231 . 1 1 106 106 LEU CD2 C 13 21.848 0.2 . 2 . . . . . . . . 6361 1 1232 . 1 1 106 106 LEU HD21 H 1 0.780 0.02 . 2 . . . . . . . . 6361 1 1233 . 1 1 106 106 LEU HD22 H 1 0.780 0.02 . 2 . . . . . . . . 6361 1 1234 . 1 1 106 106 LEU HD23 H 1 0.780 0.02 . 2 . . . . . . . . 6361 1 1235 . 1 1 106 106 LEU HG H 1 2.227 0.02 . 1 . . . . . . . . 6361 1 1236 . 1 1 107 107 MET H H 1 7.788 0.02 . 1 . . . . . . . . 6361 1 1237 . 1 1 107 107 MET N N 15 115.101 0.1 . 1 . . . . . . . . 6361 1 1238 . 1 1 107 107 MET CA C 13 55.889 0.2 . 1 . . . . . . . . 6361 1 1239 . 1 1 107 107 MET C C 13 178.804 0.2 . 1 . . . . . . . . 6361 1 1240 . 1 1 107 107 MET CB C 13 30.576 0.2 . 1 . . . . . . . . 6361 1 1241 . 1 1 107 107 MET HB2 H 1 2.320 0.02 . 2 . . . . . . . . 6361 1 1242 . 1 1 107 107 MET HB3 H 1 2.537 0.02 . 2 . . . . . . . . 6361 1 1243 . 1 1 107 107 MET CG C 13 32.163 0.2 . 1 . . . . . . . . 6361 1 1244 . 1 1 107 107 MET HG2 H 1 2.988 0.02 . 2 . . . . . . . . 6361 1 1245 . 1 1 107 107 MET HG3 H 1 3.410 0.02 . 2 . . . . . . . . 6361 1 1246 . 1 1 108 108 HIS H H 1 7.661 0.02 . 1 . . . . . . . . 6361 1 1247 . 1 1 108 108 HIS N N 15 115.800 0.1 . 1 . . . . . . . . 6361 1 1248 . 1 1 108 108 HIS CA C 13 54.848 0.2 . 1 . . . . . . . . 6361 1 1249 . 1 1 108 108 HIS HA H 1 4.128 0.02 . 1 . . . . . . . . 6361 1 1250 . 1 1 108 108 HIS CB C 13 29.880 0.2 . 1 . . . . . . . . 6361 1 1251 . 1 1 108 108 HIS HB2 H 1 2.923 0.02 . 2 . . . . . . . . 6361 1 1252 . 1 1 108 108 HIS HB3 H 1 3.150 0.02 . 2 . . . . . . . . 6361 1 1253 . 1 1 108 108 HIS HD2 H 1 6.558 0.02 . 1 . . . . . . . . 6361 1 1254 . 1 1 108 108 HIS HE1 H 1 7.882 0.02 . 1 . . . . . . . . 6361 1 1255 . 1 1 109 109 PRO CA C 13 64.430 0.2 . 1 . . . . . . . . 6361 1 1256 . 1 1 109 109 PRO HA H 1 2.890 0.02 . 1 . . . . . . . . 6361 1 1257 . 1 1 109 109 PRO C C 13 175.546 0.2 . 1 . . . . . . . . 6361 1 1258 . 1 1 109 109 PRO CB C 13 31.483 0.2 . 1 . . . . . . . . 6361 1 1259 . 1 1 109 109 PRO HB2 H 1 1.588 0.02 . 2 . . . . . . . . 6361 1 1260 . 1 1 109 109 PRO HB3 H 1 2.203 0.02 . 2 . . . . . . . . 6361 1 1261 . 1 1 109 109 PRO CG C 13 27.474 0.2 . 1 . . . . . . . . 6361 1 1262 . 1 1 109 109 PRO HG2 H 1 1.438 0.02 . 2 . . . . . . . . 6361 1 1263 . 1 1 109 109 PRO HG3 H 1 1.723 0.02 . 2 . . . . . . . . 6361 1 1264 . 1 1 109 109 PRO CD C 13 49.356 0.2 . 1 . . . . . . . . 6361 1 1265 . 1 1 109 109 PRO HD2 H 1 2.931 0.02 . 2 . . . . . . . . 6361 1 1266 . 1 1 109 109 PRO HD3 H 1 3.310 0.02 . 2 . . . . . . . . 6361 1 stop_ save_