data_6950 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6950 _Entry.Title ; domain 3 of RAP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-24 _Entry.Accession_date 2006-01-25 _Entry.Last_release_date 2007-02-13 _Entry.Original_release_date 2007-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Donghan Lee . . . 6950 2 Joseph Walsh D. . . 6950 3 Irina Mikhailenko . . . 6950 4 Molly Migliorini . . . 6950 5 Ping Yu . . . 6950 6 Yibing Wu . . . 6950 7 Stephen Locket . . . 6950 8 Dudley Strickland K. . . 6950 9 Yun-Xing Wang . . . 6950 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6950 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 487 6950 '15N chemical shifts' 119 6950 '1H chemical shifts' 783 6950 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 . . 2007-02-13 2006-01-24 original author . 6950 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6950 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17016671 _Citation.Full_citation . _Citation.Title 'NMR assignment of domain 3 of the receptor-associated protein (RAP)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 56 _Citation.Page_last 56 _Citation.Year 2006 _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 Donghan Lee . . . 6950 1 2 Joseph Walsh . D. . 6950 1 3 Ping Yu . . . 6950 1 4 Molly Migliorini . . . 6950 1 5 Yibing Wu . . . 6950 1 6 Dudley Strickland . K. . 6950 1 7 Yun-Xing Wang . . . 6950 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6950 _Assembly.ID 1 _Assembly.Name 'domain 3 of RAP' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'domain 3 of RAP' 1 $domain_3_of_RAP . . yes native yes no . . . 6950 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_domain_3_of_RAP _Entity.Sf_category entity _Entity.Sf_framecode domain_3_of_RAP _Entity.Entry_ID 6950 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'domain 3 of RAP' _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 ; RVSHQGYSTEAEFEEPRVID LWDLAQSANLTDKELEAFRE ELKHFEAKIEKHNHYQKQLE IAHEKLRHAESVGDGERVSR SREKHALLEGRTKELGYTVK KHLQDLSGRISRARHNEL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16454 . RBD . . . . . 100.00 357 100.00 100.00 3.06e-74 . . . . 6950 1 2 no PDB 2FCW . "Structure Of A Complex Between The Pair Of The Ldl Receptor Ligand-Binding Modules 3-4 And The Receptor Associated Protein (Rap" . . . . . 91.53 109 100.00 100.00 2.87e-69 . . . . 6950 1 3 no PDB 2FTU . "Solution Structure Of Domain 3 Of Rap" . . . . . 100.00 118 100.00 100.00 2.03e-77 . . . . 6950 1 4 no PDB 2P01 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 100.00 323 100.00 100.00 1.07e-74 . . . . 6950 1 5 no PDB 2P03 . "The Structure Of Receptor-Associated Protein(Rap)" . . . . . 100.00 323 100.00 100.00 1.07e-74 . . . . 6950 1 6 no DBJ BAD96224 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.69e-74 . . . . 6950 1 7 no DBJ BAD96247 . "low density lipoprotein receptor-related protein associated protein 1 variant [Homo sapiens]" . . . . . 100.00 357 99.15 99.15 1.69e-73 . . . . 6950 1 8 no DBJ BAE87201 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 358 97.46 97.46 2.09e-71 . . . . 6950 1 9 no DBJ BAF85010 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 357 99.15 99.15 2.89e-73 . . . . 6950 1 10 no DBJ BAG35576 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 357 99.15 99.15 2.83e-73 . . . . 6950 1 11 no EMBL CAH90295 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 358 99.15 99.15 3.28e-73 . . . . 6950 1 12 no GB AAA51553 . "alpha-2-macroglobulin receptor-associated protein [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 13 no GB AAC67373 . "lipoprotein receptor associated protein [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 14 no GB AAI05075 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 15 no GB AAI12068 . "Low density lipoprotein receptor-related protein associated protein 1 [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 16 no GB AAY18903 . "lipoprotein receptor associated protein; alpha-2-macroglobulin receptor-associated protein [synthetic construct]" . . . . . 100.00 381 100.00 100.00 1.25e-73 . . . . 6950 1 17 no REF NP_001125136 . "alpha-2-macroglobulin receptor-associated protein precursor [Pongo abelii]" . . . . . 100.00 358 99.15 99.15 3.28e-73 . . . . 6950 1 18 no REF NP_001233320 . "alpha-2-macroglobulin receptor-associated protein precursor [Pan troglodytes]" . . . . . 100.00 357 99.15 99.15 2.09e-73 . . . . 6950 1 19 no REF NP_002328 . "alpha-2-macroglobulin receptor-associated protein precursor [Homo sapiens]" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 20 no REF XP_001085674 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein [Macaca mulatta]" . . . . . 100.00 358 98.31 98.31 1.84e-72 . . . . 6950 1 21 no REF XP_003279069 . "PREDICTED: alpha-2-macroglobulin receptor-associated protein [Nomascus leucogenys]" . . . . . 100.00 460 99.15 99.15 2.67e-72 . . . . 6950 1 22 no SP P30533 . "RecName: Full=Alpha-2-macroglobulin receptor-associated protein; Short=Alpha-2-MRAP; AltName: Full=Low density lipoprotein rece" . . . . . 100.00 357 100.00 100.00 2.81e-74 . . . . 6950 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 6950 1 2 . VAL . 6950 1 3 . SER . 6950 1 4 . HIS . 6950 1 5 . GLN . 6950 1 6 . GLY . 6950 1 7 . TYR . 6950 1 8 . SER . 6950 1 9 . THR . 6950 1 10 . GLU . 6950 1 11 . ALA . 6950 1 12 . GLU . 6950 1 13 . PHE . 6950 1 14 . GLU . 6950 1 15 . GLU . 6950 1 16 . PRO . 6950 1 17 . ARG . 6950 1 18 . VAL . 6950 1 19 . ILE . 6950 1 20 . ASP . 6950 1 21 . LEU . 6950 1 22 . TRP . 6950 1 23 . ASP . 6950 1 24 . LEU . 6950 1 25 . ALA . 6950 1 26 . GLN . 6950 1 27 . SER . 6950 1 28 . ALA . 6950 1 29 . ASN . 6950 1 30 . LEU . 6950 1 31 . THR . 6950 1 32 . ASP . 6950 1 33 . LYS . 6950 1 34 . GLU . 6950 1 35 . LEU . 6950 1 36 . GLU . 6950 1 37 . ALA . 6950 1 38 . PHE . 6950 1 39 . ARG . 6950 1 40 . GLU . 6950 1 41 . GLU . 6950 1 42 . LEU . 6950 1 43 . LYS . 6950 1 44 . HIS . 6950 1 45 . PHE . 6950 1 46 . GLU . 6950 1 47 . ALA . 6950 1 48 . LYS . 6950 1 49 . ILE . 6950 1 50 . GLU . 6950 1 51 . LYS . 6950 1 52 . HIS . 6950 1 53 . ASN . 6950 1 54 . HIS . 6950 1 55 . TYR . 6950 1 56 . GLN . 6950 1 57 . LYS . 6950 1 58 . GLN . 6950 1 59 . LEU . 6950 1 60 . GLU . 6950 1 61 . ILE . 6950 1 62 . ALA . 6950 1 63 . HIS . 6950 1 64 . GLU . 6950 1 65 . LYS . 6950 1 66 . LEU . 6950 1 67 . ARG . 6950 1 68 . HIS . 6950 1 69 . ALA . 6950 1 70 . GLU . 6950 1 71 . SER . 6950 1 72 . VAL . 6950 1 73 . GLY . 6950 1 74 . ASP . 6950 1 75 . GLY . 6950 1 76 . GLU . 6950 1 77 . ARG . 6950 1 78 . VAL . 6950 1 79 . SER . 6950 1 80 . ARG . 6950 1 81 . SER . 6950 1 82 . ARG . 6950 1 83 . GLU . 6950 1 84 . LYS . 6950 1 85 . HIS . 6950 1 86 . ALA . 6950 1 87 . LEU . 6950 1 88 . LEU . 6950 1 89 . GLU . 6950 1 90 . GLY . 6950 1 91 . ARG . 6950 1 92 . THR . 6950 1 93 . LYS . 6950 1 94 . GLU . 6950 1 95 . LEU . 6950 1 96 . GLY . 6950 1 97 . TYR . 6950 1 98 . THR . 6950 1 99 . VAL . 6950 1 100 . LYS . 6950 1 101 . LYS . 6950 1 102 . HIS . 6950 1 103 . LEU . 6950 1 104 . GLN . 6950 1 105 . ASP . 6950 1 106 . LEU . 6950 1 107 . SER . 6950 1 108 . GLY . 6950 1 109 . ARG . 6950 1 110 . ILE . 6950 1 111 . SER . 6950 1 112 . ARG . 6950 1 113 . ALA . 6950 1 114 . ARG . 6950 1 115 . HIS . 6950 1 116 . ASN . 6950 1 117 . GLU . 6950 1 118 . LEU . 6950 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 6950 1 . VAL 2 2 6950 1 . SER 3 3 6950 1 . HIS 4 4 6950 1 . GLN 5 5 6950 1 . GLY 6 6 6950 1 . TYR 7 7 6950 1 . SER 8 8 6950 1 . THR 9 9 6950 1 . GLU 10 10 6950 1 . ALA 11 11 6950 1 . GLU 12 12 6950 1 . PHE 13 13 6950 1 . GLU 14 14 6950 1 . GLU 15 15 6950 1 . PRO 16 16 6950 1 . ARG 17 17 6950 1 . VAL 18 18 6950 1 . ILE 19 19 6950 1 . ASP 20 20 6950 1 . LEU 21 21 6950 1 . TRP 22 22 6950 1 . ASP 23 23 6950 1 . LEU 24 24 6950 1 . ALA 25 25 6950 1 . GLN 26 26 6950 1 . SER 27 27 6950 1 . ALA 28 28 6950 1 . ASN 29 29 6950 1 . LEU 30 30 6950 1 . THR 31 31 6950 1 . ASP 32 32 6950 1 . LYS 33 33 6950 1 . GLU 34 34 6950 1 . LEU 35 35 6950 1 . GLU 36 36 6950 1 . ALA 37 37 6950 1 . PHE 38 38 6950 1 . ARG 39 39 6950 1 . GLU 40 40 6950 1 . GLU 41 41 6950 1 . LEU 42 42 6950 1 . LYS 43 43 6950 1 . HIS 44 44 6950 1 . PHE 45 45 6950 1 . GLU 46 46 6950 1 . ALA 47 47 6950 1 . LYS 48 48 6950 1 . ILE 49 49 6950 1 . GLU 50 50 6950 1 . LYS 51 51 6950 1 . HIS 52 52 6950 1 . ASN 53 53 6950 1 . HIS 54 54 6950 1 . TYR 55 55 6950 1 . GLN 56 56 6950 1 . LYS 57 57 6950 1 . GLN 58 58 6950 1 . LEU 59 59 6950 1 . GLU 60 60 6950 1 . ILE 61 61 6950 1 . ALA 62 62 6950 1 . HIS 63 63 6950 1 . GLU 64 64 6950 1 . LYS 65 65 6950 1 . LEU 66 66 6950 1 . ARG 67 67 6950 1 . HIS 68 68 6950 1 . ALA 69 69 6950 1 . GLU 70 70 6950 1 . SER 71 71 6950 1 . VAL 72 72 6950 1 . GLY 73 73 6950 1 . ASP 74 74 6950 1 . GLY 75 75 6950 1 . GLU 76 76 6950 1 . ARG 77 77 6950 1 . VAL 78 78 6950 1 . SER 79 79 6950 1 . ARG 80 80 6950 1 . SER 81 81 6950 1 . ARG 82 82 6950 1 . GLU 83 83 6950 1 . LYS 84 84 6950 1 . HIS 85 85 6950 1 . ALA 86 86 6950 1 . LEU 87 87 6950 1 . LEU 88 88 6950 1 . GLU 89 89 6950 1 . GLY 90 90 6950 1 . ARG 91 91 6950 1 . THR 92 92 6950 1 . LYS 93 93 6950 1 . GLU 94 94 6950 1 . LEU 95 95 6950 1 . GLY 96 96 6950 1 . TYR 97 97 6950 1 . THR 98 98 6950 1 . VAL 99 99 6950 1 . LYS 100 100 6950 1 . LYS 101 101 6950 1 . HIS 102 102 6950 1 . LEU 103 103 6950 1 . GLN 104 104 6950 1 . ASP 105 105 6950 1 . LEU 106 106 6950 1 . SER 107 107 6950 1 . GLY 108 108 6950 1 . ARG 109 109 6950 1 . ILE 110 110 6950 1 . SER 111 111 6950 1 . ARG 112 112 6950 1 . ALA 113 113 6950 1 . ARG 114 114 6950 1 . HIS 115 115 6950 1 . ASN 116 116 6950 1 . GLU 117 117 6950 1 . LEU 118 118 6950 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 6950 _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 $domain_3_of_RAP . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6950 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 6950 _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 $domain_3_of_RAP . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6950 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6950 _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 'domain 3 of RAP' '[U-13C; U-15N]' . . 1 $domain_3_of_RAP . . 1.0 . . mM . . . . 6950 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6950 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.25 . pH 6950 1 temperature 303 0.3 K 6950 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6950 _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_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6950 _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 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 2 13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 5 '15N-resolved NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 6 '13C-resolved NOESYs for aliphatic and aromatic carbons' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6950 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6950 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6950 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6950 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6950 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6950 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6950 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.350 0.020 . 1 . . . . 1 ARG HA . 6950 1 2 . 1 1 1 1 ARG HB2 H 1 1.800 0.020 . 2 . . . . 1 ARG HB2 . 6950 1 3 . 1 1 1 1 ARG HB3 H 1 1.715 0.020 . 2 . . . . 1 ARG HB3 . 6950 1 4 . 1 1 1 1 ARG HG2 H 1 1.588 0.020 . 2 . . . . 1 ARG HG2 . 6950 1 5 . 1 1 1 1 ARG HG3 H 1 1.535 0.020 . 2 . . . . 1 ARG HG3 . 6950 1 6 . 1 1 1 1 ARG HD2 H 1 3.144 0.020 . 1 . . . . 1 ARG HD2 . 6950 1 7 . 1 1 1 1 ARG HD3 H 1 3.144 0.020 . 1 . . . . 1 ARG HD3 . 6950 1 8 . 1 1 1 1 ARG CA C 13 56.108 0.400 . 1 . . . . 1 ARG CA . 6950 1 9 . 1 1 1 1 ARG CB C 13 30.591 0.400 . 1 . . . . 1 ARG CB . 6950 1 10 . 1 1 1 1 ARG CG C 13 27.100 0.400 . 1 . . . . 1 ARG CG . 6950 1 11 . 1 1 1 1 ARG CD C 13 43.101 0.400 . 1 . . . . 1 ARG CD . 6950 1 12 . 1 1 2 2 VAL H H 1 8.221 0.020 . 1 . . . . 2 VAL H . 6950 1 13 . 1 1 2 2 VAL HA H 1 4.088 0.020 . 1 . . . . 2 VAL HA . 6950 1 14 . 1 1 2 2 VAL HB H 1 1.988 0.020 . 1 . . . . 2 VAL HB . 6950 1 15 . 1 1 2 2 VAL HG11 H 1 0.818 0.020 . 2 . . . . 2 VAL HG1 . 6950 1 16 . 1 1 2 2 VAL HG12 H 1 0.818 0.020 . 2 . . . . 2 VAL HG1 . 6950 1 17 . 1 1 2 2 VAL HG13 H 1 0.818 0.020 . 2 . . . . 2 VAL HG1 . 6950 1 18 . 1 1 2 2 VAL HG21 H 1 0.830 0.020 . 2 . . . . 2 VAL HG2 . 6950 1 19 . 1 1 2 2 VAL HG22 H 1 0.830 0.020 . 2 . . . . 2 VAL HG2 . 6950 1 20 . 1 1 2 2 VAL HG23 H 1 0.830 0.020 . 2 . . . . 2 VAL HG2 . 6950 1 21 . 1 1 2 2 VAL C C 13 176.061 0.400 . 1 . . . . 2 VAL C . 6950 1 22 . 1 1 2 2 VAL CA C 13 61.972 0.400 . 1 . . . . 2 VAL CA . 6950 1 23 . 1 1 2 2 VAL CB C 13 32.493 0.400 . 1 . . . . 2 VAL CB . 6950 1 24 . 1 1 2 2 VAL CG1 C 13 26.571 0.400 . 1 . . . . 2 VAL CG1 . 6950 1 25 . 1 1 2 2 VAL CG2 C 13 21.097 0.400 . 1 . . . . 2 VAL CG2 . 6950 1 26 . 1 1 2 2 VAL N N 15 121.444 0.400 . 1 . . . . 2 VAL N . 6950 1 27 . 1 1 3 3 SER H H 1 8.295 0.020 . 1 . . . . 3 SER H . 6950 1 28 . 1 1 3 3 SER HA H 1 4.668 0.020 . 1 . . . . 3 SER HA . 6950 1 29 . 1 1 3 3 SER HB2 H 1 4.303 0.020 . 1 . . . . 3 SER HB2 . 6950 1 30 . 1 1 3 3 SER HB3 H 1 4.303 0.020 . 1 . . . . 3 SER HB3 . 6950 1 31 . 1 1 3 3 SER CA C 13 57.715 0.400 . 1 . . . . 3 SER CA . 6950 1 32 . 1 1 3 3 SER CB C 13 63.961 0.400 . 1 . . . . 3 SER CB . 6950 1 33 . 1 1 3 3 SER N N 15 119.341 0.400 . 1 . . . . 3 SER N . 6950 1 34 . 1 1 4 4 HIS HA H 1 4.578 0.020 . 1 . . . . 4 HIS HA . 6950 1 35 . 1 1 4 4 HIS HB2 H 1 3.091 0.020 . 2 . . . . 4 HIS HB2 . 6950 1 36 . 1 1 4 4 HIS HB3 H 1 3.039 0.020 . 2 . . . . 4 HIS HB3 . 6950 1 37 . 1 1 4 4 HIS HD2 H 1 6.980 0.020 . 1 . . . . 4 HIS HD2 . 6950 1 38 . 1 1 4 4 HIS C C 13 175.311 0.400 . 1 . . . . 4 HIS C . 6950 1 39 . 1 1 4 4 HIS CA C 13 56.328 0.400 . 1 . . . . 4 HIS CA . 6950 1 40 . 1 1 4 4 HIS CB C 13 30.332 0.400 . 1 . . . . 4 HIS CB . 6950 1 41 . 1 1 5 5 GLN HA H 1 4.289 0.020 . 1 . . . . 5 GLN HA . 6950 1 42 . 1 1 5 5 GLN HB2 H 1 2.066 0.020 . 2 . . . . 5 GLN HB2 . 6950 1 43 . 1 1 5 5 GLN HB3 H 1 1.872 0.020 . 2 . . . . 5 GLN HB3 . 6950 1 44 . 1 1 5 5 GLN HG2 H 1 2.216 0.020 . 1 . . . . 5 GLN HG2 . 6950 1 45 . 1 1 5 5 GLN HG3 H 1 2.216 0.020 . 1 . . . . 5 GLN HG3 . 6950 1 46 . 1 1 5 5 GLN C C 13 176.181 0.400 . 1 . . . . 5 GLN C . 6950 1 47 . 1 1 5 5 GLN CA C 13 56.320 0.400 . 1 . . . . 5 GLN CA . 6950 1 48 . 1 1 5 5 GLN CB C 13 30.104 0.400 . 1 . . . . 5 GLN CB . 6950 1 49 . 1 1 5 5 GLN CG C 13 33.408 0.400 . 1 . . . . 5 GLN CG . 6950 1 50 . 1 1 6 6 GLY H H 1 8.413 0.020 . 1 . . . . 6 GLY H . 6950 1 51 . 1 1 6 6 GLY HA2 H 1 3.905 0.020 . 2 . . . . 6 GLY HA2 . 6950 1 52 . 1 1 6 6 GLY HA3 H 1 3.807 0.020 . 2 . . . . 6 GLY HA3 . 6950 1 53 . 1 1 6 6 GLY C C 13 173.701 0.400 . 1 . . . . 6 GLY C . 6950 1 54 . 1 1 6 6 GLY CA C 13 44.994 0.400 . 1 . . . . 6 GLY CA . 6950 1 55 . 1 1 6 6 GLY N N 15 110.136 0.400 . 1 . . . . 6 GLY N . 6950 1 56 . 1 1 7 7 TYR H H 1 7.996 0.020 . 1 . . . . 7 TYR H . 6950 1 57 . 1 1 7 7 TYR HA H 1 4.581 0.020 . 1 . . . . 7 TYR HA . 6950 1 58 . 1 1 7 7 TYR HB2 H 1 3.024 0.020 . 2 . . . . 7 TYR HB2 . 6950 1 59 . 1 1 7 7 TYR HB3 H 1 2.904 0.020 . 2 . . . . 7 TYR HB3 . 6950 1 60 . 1 1 7 7 TYR HD1 H 1 7.077 0.020 . 1 . . . . 7 TYR HD1 . 6950 1 61 . 1 1 7 7 TYR HD2 H 1 7.077 0.020 . 1 . . . . 7 TYR HD2 . 6950 1 62 . 1 1 7 7 TYR HE1 H 1 6.804 0.020 . 1 . . . . 7 TYR HE1 . 6950 1 63 . 1 1 7 7 TYR HE2 H 1 6.804 0.020 . 1 . . . . 7 TYR HE2 . 6950 1 64 . 1 1 7 7 TYR C C 13 175.801 0.400 . 1 . . . . 7 TYR C . 6950 1 65 . 1 1 7 7 TYR CA C 13 57.638 0.400 . 1 . . . . 7 TYR CA . 6950 1 66 . 1 1 7 7 TYR CB C 13 38.834 0.400 . 1 . . . . 7 TYR CB . 6950 1 67 . 1 1 7 7 TYR CD1 C 13 133.455 0.400 . 1 . . . . 7 TYR CD1 . 6950 1 68 . 1 1 7 7 TYR N N 15 119.912 0.400 . 1 . . . . 7 TYR N . 6950 1 69 . 1 1 8 8 SER H H 1 8.331 0.020 . 1 . . . . 8 SER H . 6950 1 70 . 1 1 8 8 SER HA H 1 4.495 0.020 . 1 . . . . 8 SER HA . 6950 1 71 . 1 1 8 8 SER HB2 H 1 3.762 0.020 . 2 . . . . 8 SER HB2 . 6950 1 72 . 1 1 8 8 SER HB3 H 1 3.823 0.020 . 2 . . . . 8 SER HB3 . 6950 1 73 . 1 1 8 8 SER C C 13 174.681 0.400 . 1 . . . . 8 SER C . 6950 1 74 . 1 1 8 8 SER CA C 13 57.907 0.400 . 1 . . . . 8 SER CA . 6950 1 75 . 1 1 8 8 SER CB C 13 63.647 0.400 . 1 . . . . 8 SER CB . 6950 1 76 . 1 1 8 8 SER N N 15 117.685 0.400 . 1 . . . . 8 SER N . 6950 1 77 . 1 1 9 9 THR H H 1 8.237 0.020 . 1 . . . . 9 THR H . 6950 1 78 . 1 1 9 9 THR HA H 1 4.294 0.020 . 1 . . . . 9 THR HA . 6950 1 79 . 1 1 9 9 THR HB H 1 4.253 0.020 . 1 . . . . 9 THR HB . 6950 1 80 . 1 1 9 9 THR HG21 H 1 1.167 0.020 . 1 . . . . 9 THR HG2 . 6950 1 81 . 1 1 9 9 THR HG22 H 1 1.167 0.020 . 1 . . . . 9 THR HG2 . 6950 1 82 . 1 1 9 9 THR HG23 H 1 1.167 0.020 . 1 . . . . 9 THR HG2 . 6950 1 83 . 1 1 9 9 THR C C 13 174.521 0.400 . 1 . . . . 9 THR C . 6950 1 84 . 1 1 9 9 THR CA C 13 61.745 0.400 . 1 . . . . 9 THR CA . 6950 1 85 . 1 1 9 9 THR CB C 13 69.317 0.400 . 1 . . . . 9 THR CB . 6950 1 86 . 1 1 9 9 THR CG2 C 13 21.593 0.400 . 1 . . . . 9 THR CG2 . 6950 1 87 . 1 1 9 9 THR N N 15 115.845 0.400 . 1 . . . . 9 THR N . 6950 1 88 . 1 1 10 10 GLU H H 1 8.279 0.020 . 1 . . . . 10 GLU H . 6950 1 89 . 1 1 10 10 GLU HA H 1 4.223 0.020 . 1 . . . . 10 GLU HA . 6950 1 90 . 1 1 10 10 GLU HB2 H 1 1.967 0.020 . 2 . . . . 10 GLU HB2 . 6950 1 91 . 1 1 10 10 GLU HB3 H 1 1.832 0.020 . 2 . . . . 10 GLU HB3 . 6950 1 92 . 1 1 10 10 GLU HG2 H 1 2.193 0.020 . 1 . . . . 10 GLU HG2 . 6950 1 93 . 1 1 10 10 GLU HG3 H 1 2.193 0.020 . 1 . . . . 10 GLU HG3 . 6950 1 94 . 1 1 10 10 GLU C C 13 175.861 0.400 . 1 . . . . 10 GLU C . 6950 1 95 . 1 1 10 10 GLU CA C 13 56.288 0.400 . 1 . . . . 10 GLU CA . 6950 1 96 . 1 1 10 10 GLU CB C 13 29.403 0.400 . 1 . . . . 10 GLU CB . 6950 1 97 . 1 1 10 10 GLU CG C 13 36.010 0.400 . 1 . . . . 10 GLU CG . 6950 1 98 . 1 1 10 10 GLU N N 15 122.649 0.400 . 1 . . . . 10 GLU N . 6950 1 99 . 1 1 11 11 ALA H H 1 8.198 0.020 . 1 . . . . 11 ALA H . 6950 1 100 . 1 1 11 11 ALA HA H 1 4.157 0.020 . 1 . . . . 11 ALA HA . 6950 1 101 . 1 1 11 11 ALA HB1 H 1 1.157 0.020 . 1 . . . . 11 ALA HB . 6950 1 102 . 1 1 11 11 ALA HB2 H 1 1.157 0.020 . 1 . . . . 11 ALA HB . 6950 1 103 . 1 1 11 11 ALA HB3 H 1 1.157 0.020 . 1 . . . . 11 ALA HB . 6950 1 104 . 1 1 11 11 ALA C C 13 177.081 0.400 . 1 . . . . 11 ALA C . 6950 1 105 . 1 1 11 11 ALA CA C 13 51.835 0.400 . 1 . . . . 11 ALA CA . 6950 1 106 . 1 1 11 11 ALA CB C 13 19.452 0.400 . 1 . . . . 11 ALA CB . 6950 1 107 . 1 1 11 11 ALA N N 15 125.017 0.400 . 1 . . . . 11 ALA N . 6950 1 108 . 1 1 12 12 GLU H H 1 8.215 0.020 . 1 . . . . 12 GLU H . 6950 1 109 . 1 1 12 12 GLU HA H 1 3.935 0.020 . 1 . . . . 12 GLU HA . 6950 1 110 . 1 1 12 12 GLU HB2 H 1 1.620 0.020 . 2 . . . . 12 GLU HB2 . 6950 1 111 . 1 1 12 12 GLU HB3 H 1 1.645 0.020 . 2 . . . . 12 GLU HB3 . 6950 1 112 . 1 1 12 12 GLU HG2 H 1 1.900 0.020 . 2 . . . . 12 GLU HG2 . 6950 1 113 . 1 1 12 12 GLU HG3 H 1 1.827 0.020 . 2 . . . . 12 GLU HG3 . 6950 1 114 . 1 1 12 12 GLU C C 13 175.741 0.400 . 1 . . . . 12 GLU C . 6950 1 115 . 1 1 12 12 GLU CA C 13 56.320 0.400 . 1 . . . . 12 GLU CA . 6950 1 116 . 1 1 12 12 GLU CB C 13 30.314 0.400 . 1 . . . . 12 GLU CB . 6950 1 117 . 1 1 12 12 GLU CG C 13 35.775 0.400 . 1 . . . . 12 GLU CG . 6950 1 118 . 1 1 12 12 GLU N N 15 120.759 0.400 . 1 . . . . 12 GLU N . 6950 1 119 . 1 1 13 13 PHE H H 1 7.577 0.020 . 1 . . . . 13 PHE H . 6950 1 120 . 1 1 13 13 PHE HA H 1 4.828 0.020 . 1 . . . . 13 PHE HA . 6950 1 121 . 1 1 13 13 PHE HB2 H 1 3.111 0.020 . 2 . . . . 13 PHE HB2 . 6950 1 122 . 1 1 13 13 PHE HB3 H 1 2.532 0.020 . 2 . . . . 13 PHE HB3 . 6950 1 123 . 1 1 13 13 PHE HD1 H 1 7.089 0.020 . 1 . . . . 13 PHE HD1 . 6950 1 124 . 1 1 13 13 PHE HD2 H 1 7.089 0.020 . 1 . . . . 13 PHE HD2 . 6950 1 125 . 1 1 13 13 PHE HE1 H 1 6.277 0.020 . 1 . . . . 13 PHE HE1 . 6950 1 126 . 1 1 13 13 PHE HE2 H 1 6.277 0.020 . 1 . . . . 13 PHE HE2 . 6950 1 127 . 1 1 13 13 PHE HZ H 1 6.847 0.020 . 1 . . . . 13 PHE HZ . 6950 1 128 . 1 1 13 13 PHE C C 13 174.611 0.400 . 1 . . . . 13 PHE C . 6950 1 129 . 1 1 13 13 PHE CA C 13 57.268 0.400 . 1 . . . . 13 PHE CA . 6950 1 130 . 1 1 13 13 PHE CB C 13 40.978 0.400 . 1 . . . . 13 PHE CB . 6950 1 131 . 1 1 13 13 PHE CD1 C 13 132.128 0.400 . 1 . . . . 13 PHE CD1 . 6950 1 132 . 1 1 13 13 PHE CE1 C 13 130.346 0.400 . 1 . . . . 13 PHE CE1 . 6950 1 133 . 1 1 13 13 PHE CZ C 13 130.000 0.400 . 1 . . . . 13 PHE CZ . 6950 1 134 . 1 1 13 13 PHE N N 15 118.695 0.400 . 1 . . . . 13 PHE N . 6950 1 135 . 1 1 14 14 GLU HA H 1 4.502 0.020 . 1 . . . . 14 GLU HA . 6950 1 136 . 1 1 14 14 GLU HB2 H 1 2.017 0.020 . 2 . . . . 14 GLU HB2 . 6950 1 137 . 1 1 14 14 GLU HB3 H 1 1.847 0.020 . 2 . . . . 14 GLU HB3 . 6950 1 138 . 1 1 14 14 GLU HG2 H 1 2.126 0.020 . 2 . . . . 14 GLU HG2 . 6950 1 139 . 1 1 14 14 GLU HG3 H 1 2.223 0.020 . 2 . . . . 14 GLU HG3 . 6950 1 140 . 1 1 14 14 GLU C C 13 176.351 0.400 . 1 . . . . 14 GLU C . 6950 1 141 . 1 1 14 14 GLU CA C 13 56.561 0.400 . 1 . . . . 14 GLU CA . 6950 1 142 . 1 1 14 14 GLU CB C 13 32.927 0.400 . 1 . . . . 14 GLU CB . 6950 1 143 . 1 1 14 14 GLU CG C 13 36.262 0.400 . 1 . . . . 14 GLU CG . 6950 1 144 . 1 1 15 15 GLU H H 1 8.608 0.020 . 1 . . . . 15 GLU H . 6950 1 145 . 1 1 15 15 GLU HA H 1 4.517 0.020 . 1 . . . . 15 GLU HA . 6950 1 146 . 1 1 15 15 GLU HB2 H 1 2.140 0.020 . 2 . . . . 15 GLU HB2 . 6950 1 147 . 1 1 15 15 GLU HB3 H 1 2.018 0.020 . 2 . . . . 15 GLU HB3 . 6950 1 148 . 1 1 15 15 GLU HG2 H 1 2.444 0.020 . 2 . . . . 15 GLU HG2 . 6950 1 149 . 1 1 15 15 GLU HG3 H 1 2.389 0.020 . 2 . . . . 15 GLU HG3 . 6950 1 150 . 1 1 15 15 GLU CA C 13 55.137 0.400 . 1 . . . . 15 GLU CA . 6950 1 151 . 1 1 15 15 GLU CB C 13 27.498 0.400 . 1 . . . . 15 GLU CB . 6950 1 152 . 1 1 15 15 GLU CG C 13 37.441 0.400 . 1 . . . . 15 GLU CG . 6950 1 153 . 1 1 15 15 GLU N N 15 126.263 0.400 . 1 . . . . 15 GLU N . 6950 1 154 . 1 1 16 16 PRO HA H 1 4.107 0.020 . 1 . . . . 16 PRO HA . 6950 1 155 . 1 1 16 16 PRO HB2 H 1 1.980 0.020 . 2 . . . . 16 PRO HB2 . 6950 1 156 . 1 1 16 16 PRO HB3 H 1 2.400 0.020 . 2 . . . . 16 PRO HB3 . 6950 1 157 . 1 1 16 16 PRO HG2 H 1 2.010 0.020 . 2 . . . . 16 PRO HG2 . 6950 1 158 . 1 1 16 16 PRO HG3 H 1 2.139 0.020 . 2 . . . . 16 PRO HG3 . 6950 1 159 . 1 1 16 16 PRO HD2 H 1 3.733 0.020 . 2 . . . . 16 PRO HD2 . 6950 1 160 . 1 1 16 16 PRO HD3 H 1 4.150 0.020 . 2 . . . . 16 PRO HD3 . 6950 1 161 . 1 1 16 16 PRO C C 13 178.281 0.400 . 1 . . . . 16 PRO C . 6950 1 162 . 1 1 16 16 PRO CA C 13 66.040 0.400 . 1 . . . . 16 PRO CA . 6950 1 163 . 1 1 16 16 PRO CB C 13 32.474 0.400 . 1 . . . . 16 PRO CB . 6950 1 164 . 1 1 16 16 PRO CG C 13 27.502 0.400 . 1 . . . . 16 PRO CG . 6950 1 165 . 1 1 16 16 PRO CD C 13 51.116 0.400 . 1 . . . . 16 PRO CD . 6950 1 166 . 1 1 17 17 ARG H H 1 9.083 0.020 . 1 . . . . 17 ARG H . 6950 1 167 . 1 1 17 17 ARG HA H 1 4.231 0.020 . 1 . . . . 17 ARG HA . 6950 1 168 . 1 1 17 17 ARG HB2 H 1 1.921 0.020 . 2 . . . . 17 ARG HB2 . 6950 1 169 . 1 1 17 17 ARG HB3 H 1 1.802 0.020 . 2 . . . . 17 ARG HB3 . 6950 1 170 . 1 1 17 17 ARG HD2 H 1 3.387 0.020 . 1 . . . . 17 ARG HD2 . 6950 1 171 . 1 1 17 17 ARG HD3 H 1 3.387 0.020 . 1 . . . . 17 ARG HD3 . 6950 1 172 . 1 1 17 17 ARG C C 13 179.081 0.400 . 1 . . . . 17 ARG C . 6950 1 173 . 1 1 17 17 ARG CA C 13 58.688 0.400 . 1 . . . . 17 ARG CA . 6950 1 174 . 1 1 17 17 ARG CB C 13 30.921 0.400 . 1 . . . . 17 ARG CB . 6950 1 175 . 1 1 17 17 ARG N N 15 115.936 0.400 . 1 . . . . 17 ARG N . 6950 1 176 . 1 1 18 18 VAL H H 1 7.622 0.020 . 1 . . . . 18 VAL H . 6950 1 177 . 1 1 18 18 VAL HA H 1 3.518 0.020 . 1 . . . . 18 VAL HA . 6950 1 178 . 1 1 18 18 VAL HB H 1 2.270 0.020 . 1 . . . . 18 VAL HB . 6950 1 179 . 1 1 18 18 VAL HG11 H 1 0.817 0.020 . 2 . . . . 18 VAL HG1 . 6950 1 180 . 1 1 18 18 VAL HG12 H 1 0.817 0.020 . 2 . . . . 18 VAL HG1 . 6950 1 181 . 1 1 18 18 VAL HG13 H 1 0.817 0.020 . 2 . . . . 18 VAL HG1 . 6950 1 182 . 1 1 18 18 VAL HG21 H 1 0.425 0.020 . 2 . . . . 18 VAL HG2 . 6950 1 183 . 1 1 18 18 VAL HG22 H 1 0.425 0.020 . 2 . . . . 18 VAL HG2 . 6950 1 184 . 1 1 18 18 VAL HG23 H 1 0.425 0.020 . 2 . . . . 18 VAL HG2 . 6950 1 185 . 1 1 18 18 VAL C C 13 177.061 0.400 . 1 . . . . 18 VAL C . 6950 1 186 . 1 1 18 18 VAL CA C 13 66.015 0.400 . 1 . . . . 18 VAL CA . 6950 1 187 . 1 1 18 18 VAL CB C 13 31.480 0.400 . 1 . . . . 18 VAL CB . 6950 1 188 . 1 1 18 18 VAL CG1 C 13 23.714 0.400 . 1 . . . . 18 VAL CG1 . 6950 1 189 . 1 1 18 18 VAL CG2 C 13 23.486 0.400 . 1 . . . . 18 VAL CG2 . 6950 1 190 . 1 1 18 18 VAL N N 15 120.037 0.400 . 1 . . . . 18 VAL N . 6950 1 191 . 1 1 19 19 ILE H H 1 8.198 0.020 . 1 . . . . 19 ILE H . 6950 1 192 . 1 1 19 19 ILE HA H 1 3.520 0.020 . 1 . . . . 19 ILE HA . 6950 1 193 . 1 1 19 19 ILE HB H 1 1.719 0.020 . 1 . . . . 19 ILE HB . 6950 1 194 . 1 1 19 19 ILE HG12 H 1 0.557 0.020 . 1 . . . . 19 ILE HG12 . 6950 1 195 . 1 1 19 19 ILE HG13 H 1 0.557 0.020 . 1 . . . . 19 ILE HG13 . 6950 1 196 . 1 1 19 19 ILE HG21 H 1 1.094 0.020 . 1 . . . . 19 ILE HG2 . 6950 1 197 . 1 1 19 19 ILE HG22 H 1 1.094 0.020 . 1 . . . . 19 ILE HG2 . 6950 1 198 . 1 1 19 19 ILE HG23 H 1 1.094 0.020 . 1 . . . . 19 ILE HG2 . 6950 1 199 . 1 1 19 19 ILE HD11 H 1 0.075 0.020 . 1 . . . . 19 ILE HD1 . 6950 1 200 . 1 1 19 19 ILE HD12 H 1 0.075 0.020 . 1 . . . . 19 ILE HD1 . 6950 1 201 . 1 1 19 19 ILE HD13 H 1 0.075 0.020 . 1 . . . . 19 ILE HD1 . 6950 1 202 . 1 1 19 19 ILE C C 13 178.291 0.400 . 1 . . . . 19 ILE C . 6950 1 203 . 1 1 19 19 ILE CA C 13 65.533 0.400 . 1 . . . . 19 ILE CA . 6950 1 204 . 1 1 19 19 ILE CB C 13 38.132 0.400 . 1 . . . . 19 ILE CB . 6950 1 205 . 1 1 19 19 ILE CG1 C 13 28.915 0.400 . 1 . . . . 19 ILE CG1 . 6950 1 206 . 1 1 19 19 ILE CG2 C 13 28.903 0.400 . 1 . . . . 19 ILE CG2 . 6950 1 207 . 1 1 19 19 ILE CD1 C 13 13.392 0.400 . 1 . . . . 19 ILE CD1 . 6950 1 208 . 1 1 19 19 ILE N N 15 120.733 0.400 . 1 . . . . 19 ILE N . 6950 1 209 . 1 1 20 20 ASP H H 1 7.891 0.020 . 1 . . . . 20 ASP H . 6950 1 210 . 1 1 20 20 ASP HA H 1 4.454 0.020 . 1 . . . . 20 ASP HA . 6950 1 211 . 1 1 20 20 ASP HB2 H 1 2.635 0.020 . 2 . . . . 20 ASP HB2 . 6950 1 212 . 1 1 20 20 ASP HB3 H 1 2.734 0.020 . 2 . . . . 20 ASP HB3 . 6950 1 213 . 1 1 20 20 ASP C C 13 178.911 0.400 . 1 . . . . 20 ASP C . 6950 1 214 . 1 1 20 20 ASP CA C 13 57.501 0.400 . 1 . . . . 20 ASP CA . 6950 1 215 . 1 1 20 20 ASP CB C 13 40.490 0.400 . 1 . . . . 20 ASP CB . 6950 1 216 . 1 1 20 20 ASP N N 15 118.031 0.400 . 1 . . . . 20 ASP N . 6950 1 217 . 1 1 21 21 LEU H H 1 7.382 0.020 . 1 . . . . 21 LEU H . 6950 1 218 . 1 1 21 21 LEU HA H 1 4.097 0.020 . 1 . . . . 21 LEU HA . 6950 1 219 . 1 1 21 21 LEU HB2 H 1 2.135 0.020 . 2 . . . . 21 LEU HB2 . 6950 1 220 . 1 1 21 21 LEU HB3 H 1 1.398 0.020 . 2 . . . . 21 LEU HB3 . 6950 1 221 . 1 1 21 21 LEU HG H 1 1.969 0.020 . 1 . . . . 21 LEU HG . 6950 1 222 . 1 1 21 21 LEU HD11 H 1 0.864 0.020 . 2 . . . . 21 LEU HD1 . 6950 1 223 . 1 1 21 21 LEU HD12 H 1 0.864 0.020 . 2 . . . . 21 LEU HD1 . 6950 1 224 . 1 1 21 21 LEU HD13 H 1 0.864 0.020 . 2 . . . . 21 LEU HD1 . 6950 1 225 . 1 1 21 21 LEU HD21 H 1 0.742 0.020 . 2 . . . . 21 LEU HD2 . 6950 1 226 . 1 1 21 21 LEU HD22 H 1 0.742 0.020 . 2 . . . . 21 LEU HD2 . 6950 1 227 . 1 1 21 21 LEU HD23 H 1 0.742 0.020 . 2 . . . . 21 LEU HD2 . 6950 1 228 . 1 1 21 21 LEU C C 13 178.281 0.400 . 1 . . . . 21 LEU C . 6950 1 229 . 1 1 21 21 LEU CA C 13 57.981 0.400 . 1 . . . . 21 LEU CA . 6950 1 230 . 1 1 21 21 LEU CB C 13 42.876 0.400 . 1 . . . . 21 LEU CB . 6950 1 231 . 1 1 21 21 LEU CG C 13 27.267 0.400 . 1 . . . . 21 LEU CG . 6950 1 232 . 1 1 21 21 LEU CD1 C 13 23.261 0.400 . 1 . . . . 21 LEU CD1 . 6950 1 233 . 1 1 21 21 LEU CD2 C 13 23.485 0.400 . 1 . . . . 21 LEU CD2 . 6950 1 234 . 1 1 21 21 LEU N N 15 119.715 0.400 . 1 . . . . 21 LEU N . 6950 1 235 . 1 1 22 22 TRP H H 1 8.581 0.020 . 1 . . . . 22 TRP H . 6950 1 236 . 1 1 22 22 TRP HA H 1 4.795 0.020 . 1 . . . . 22 TRP HA . 6950 1 237 . 1 1 22 22 TRP HB2 H 1 3.477 0.020 . 2 . . . . 22 TRP HB2 . 6950 1 238 . 1 1 22 22 TRP HB3 H 1 3.069 0.020 . 2 . . . . 22 TRP HB3 . 6950 1 239 . 1 1 22 22 TRP HD1 H 1 7.548 0.020 . 1 . . . . 22 TRP HD1 . 6950 1 240 . 1 1 22 22 TRP HE1 H 1 10.228 0.020 . 1 . . . . 22 TRP HE1 . 6950 1 241 . 1 1 22 22 TRP HZ2 H 1 7.228 0.020 . 1 . . . . 22 TRP HZ2 . 6950 1 242 . 1 1 22 22 TRP HH2 H 1 7.102 0.020 . 1 . . . . 22 TRP HH2 . 6950 1 243 . 1 1 22 22 TRP C C 13 178.411 0.400 . 1 . . . . 22 TRP C . 6950 1 244 . 1 1 22 22 TRP CA C 13 58.367 0.400 . 1 . . . . 22 TRP CA . 6950 1 245 . 1 1 22 22 TRP CB C 13 30.291 0.400 . 1 . . . . 22 TRP CB . 6950 1 246 . 1 1 22 22 TRP CD1 C 13 128.261 0.400 . 1 . . . . 22 TRP CD1 . 6950 1 247 . 1 1 22 22 TRP N N 15 121.333 0.400 . 1 . . . . 22 TRP N . 6950 1 248 . 1 1 22 22 TRP NE1 N 15 129.721 0.400 . 1 . . . . 22 TRP NE1 . 6950 1 249 . 1 1 23 23 ASP H H 1 8.603 0.020 . 1 . . . . 23 ASP H . 6950 1 250 . 1 1 23 23 ASP HA H 1 4.215 0.020 . 1 . . . . 23 ASP HA . 6950 1 251 . 1 1 23 23 ASP HB2 H 1 2.814 0.020 . 2 . . . . 23 ASP HB2 . 6950 1 252 . 1 1 23 23 ASP HB3 H 1 2.631 0.020 . 2 . . . . 23 ASP HB3 . 6950 1 253 . 1 1 23 23 ASP C C 13 179.971 0.400 . 1 . . . . 23 ASP C . 6950 1 254 . 1 1 23 23 ASP CA C 13 57.650 0.400 . 1 . . . . 23 ASP CA . 6950 1 255 . 1 1 23 23 ASP CB C 13 40.458 0.400 . 1 . . . . 23 ASP CB . 6950 1 256 . 1 1 23 23 ASP N N 15 120.531 0.400 . 1 . . . . 23 ASP N . 6950 1 257 . 1 1 24 24 LEU H H 1 8.018 0.020 . 1 . . . . 24 LEU H . 6950 1 258 . 1 1 24 24 LEU HA H 1 3.940 0.020 . 1 . . . . 24 LEU HA . 6950 1 259 . 1 1 24 24 LEU HB2 H 1 1.873 0.020 . 2 . . . . 24 LEU HB2 . 6950 1 260 . 1 1 24 24 LEU HB3 H 1 1.465 0.020 . 2 . . . . 24 LEU HB3 . 6950 1 261 . 1 1 24 24 LEU HG H 1 1.672 0.020 . 1 . . . . 24 LEU HG . 6950 1 262 . 1 1 24 24 LEU HD11 H 1 0.824 0.020 . 2 . . . . 24 LEU HD1 . 6950 1 263 . 1 1 24 24 LEU HD12 H 1 0.824 0.020 . 2 . . . . 24 LEU HD1 . 6950 1 264 . 1 1 24 24 LEU HD13 H 1 0.824 0.020 . 2 . . . . 24 LEU HD1 . 6950 1 265 . 1 1 24 24 LEU HD21 H 1 0.785 0.020 . 2 . . . . 24 LEU HD2 . 6950 1 266 . 1 1 24 24 LEU HD22 H 1 0.785 0.020 . 2 . . . . 24 LEU HD2 . 6950 1 267 . 1 1 24 24 LEU HD23 H 1 0.785 0.020 . 2 . . . . 24 LEU HD2 . 6950 1 268 . 1 1 24 24 LEU C C 13 180.041 0.400 . 1 . . . . 24 LEU C . 6950 1 269 . 1 1 24 24 LEU CA C 13 57.507 0.400 . 1 . . . . 24 LEU CA . 6950 1 270 . 1 1 24 24 LEU CB C 13 41.919 0.400 . 1 . . . . 24 LEU CB . 6950 1 271 . 1 1 24 24 LEU CG C 13 26.810 0.400 . 1 . . . . 24 LEU CG . 6950 1 272 . 1 1 24 24 LEU CD1 C 13 24.671 0.400 . 1 . . . . 24 LEU CD1 . 6950 1 273 . 1 1 24 24 LEU CD2 C 13 23.482 0.400 . 1 . . . . 24 LEU CD2 . 6950 1 274 . 1 1 24 24 LEU N N 15 121.376 0.400 . 1 . . . . 24 LEU N . 6950 1 275 . 1 1 25 25 ALA H H 1 8.437 0.020 . 1 . . . . 25 ALA H . 6950 1 276 . 1 1 25 25 ALA HA H 1 3.569 0.020 . 1 . . . . 25 ALA HA . 6950 1 277 . 1 1 25 25 ALA HB1 H 1 1.125 0.020 . 1 . . . . 25 ALA HB . 6950 1 278 . 1 1 25 25 ALA HB2 H 1 1.125 0.020 . 1 . . . . 25 ALA HB . 6950 1 279 . 1 1 25 25 ALA HB3 H 1 1.125 0.020 . 1 . . . . 25 ALA HB . 6950 1 280 . 1 1 25 25 ALA C C 13 179.111 0.400 . 1 . . . . 25 ALA C . 6950 1 281 . 1 1 25 25 ALA CA C 13 54.827 0.400 . 1 . . . . 25 ALA CA . 6950 1 282 . 1 1 25 25 ALA CB C 13 17.495 0.400 . 1 . . . . 25 ALA CB . 6950 1 283 . 1 1 25 25 ALA N N 15 122.172 0.400 . 1 . . . . 25 ALA N . 6950 1 284 . 1 1 26 26 GLN H H 1 7.602 0.020 . 1 . . . . 26 GLN H . 6950 1 285 . 1 1 26 26 GLN HA H 1 3.632 0.020 . 1 . . . . 26 GLN HA . 6950 1 286 . 1 1 26 26 GLN HB2 H 1 1.978 0.020 . 2 . . . . 26 GLN HB2 . 6950 1 287 . 1 1 26 26 GLN HB3 H 1 1.680 0.020 . 2 . . . . 26 GLN HB3 . 6950 1 288 . 1 1 26 26 GLN HG2 H 1 1.943 0.020 . 2 . . . . 26 GLN HG2 . 6950 1 289 . 1 1 26 26 GLN HG3 H 1 1.800 0.020 . 2 . . . . 26 GLN HG3 . 6950 1 290 . 1 1 26 26 GLN HE21 H 1 5.696 0.020 . 1 . . . . 26 GLN HE21 . 6950 1 291 . 1 1 26 26 GLN HE22 H 1 5.696 0.020 . 1 . . . . 26 GLN HE22 . 6950 1 292 . 1 1 26 26 GLN C C 13 176.991 0.400 . 1 . . . . 26 GLN C . 6950 1 293 . 1 1 26 26 GLN CA C 13 57.756 0.400 . 1 . . . . 26 GLN CA . 6950 1 294 . 1 1 26 26 GLN CB C 13 29.293 0.400 . 1 . . . . 26 GLN CB . 6950 1 295 . 1 1 26 26 GLN CG C 13 34.290 0.400 . 1 . . . . 26 GLN CG . 6950 1 296 . 1 1 26 26 GLN N N 15 113.428 0.400 . 1 . . . . 26 GLN N . 6950 1 297 . 1 1 26 26 GLN NE2 N 15 110.493 0.400 . 1 . . . . 26 GLN NE2 . 6950 1 298 . 1 1 27 27 SER H H 1 7.423 0.020 . 1 . . . . 27 SER H . 6950 1 299 . 1 1 27 27 SER HA H 1 4.584 0.020 . 1 . . . . 27 SER HA . 6950 1 300 . 1 1 27 27 SER HB2 H 1 3.938 0.020 . 2 . . . . 27 SER HB2 . 6950 1 301 . 1 1 27 27 SER HB3 H 1 3.864 0.020 . 2 . . . . 27 SER HB3 . 6950 1 302 . 1 1 27 27 SER C C 13 173.821 0.400 . 1 . . . . 27 SER C . 6950 1 303 . 1 1 27 27 SER CA C 13 57.979 0.400 . 1 . . . . 27 SER CA . 6950 1 304 . 1 1 27 27 SER CB C 13 63.651 0.400 . 1 . . . . 27 SER CB . 6950 1 305 . 1 1 27 27 SER N N 15 112.397 0.400 . 1 . . . . 27 SER N . 6950 1 306 . 1 1 28 28 ALA H H 1 7.185 0.020 . 1 . . . . 28 ALA H . 6950 1 307 . 1 1 28 28 ALA HA H 1 4.320 0.020 . 1 . . . . 28 ALA HA . 6950 1 308 . 1 1 28 28 ALA HB1 H 1 1.308 0.020 . 1 . . . . 28 ALA HB . 6950 1 309 . 1 1 28 28 ALA HB2 H 1 1.308 0.020 . 1 . . . . 28 ALA HB . 6950 1 310 . 1 1 28 28 ALA HB3 H 1 1.308 0.020 . 1 . . . . 28 ALA HB . 6950 1 311 . 1 1 28 28 ALA C C 13 175.481 0.400 . 1 . . . . 28 ALA C . 6950 1 312 . 1 1 28 28 ALA CA C 13 51.610 0.400 . 1 . . . . 28 ALA CA . 6950 1 313 . 1 1 28 28 ALA CB C 13 19.013 0.400 . 1 . . . . 28 ALA CB . 6950 1 314 . 1 1 28 28 ALA N N 15 123.993 0.400 . 1 . . . . 28 ALA N . 6950 1 315 . 1 1 29 29 ASN H H 1 8.288 0.020 . 1 . . . . 29 ASN H . 6950 1 316 . 1 1 29 29 ASN HA H 1 4.478 0.020 . 1 . . . . 29 ASN HA . 6950 1 317 . 1 1 29 29 ASN HB2 H 1 2.936 0.020 . 2 . . . . 29 ASN HB2 . 6950 1 318 . 1 1 29 29 ASN HB3 H 1 2.635 0.020 . 2 . . . . 29 ASN HB3 . 6950 1 319 . 1 1 29 29 ASN HD21 H 1 6.797 0.020 . 2 . . . . 29 ASN HD21 . 6950 1 320 . 1 1 29 29 ASN HD22 H 1 7.496 0.020 . 2 . . . . 29 ASN HD22 . 6950 1 321 . 1 1 29 29 ASN C C 13 174.591 0.400 . 1 . . . . 29 ASN C . 6950 1 322 . 1 1 29 29 ASN CA C 13 53.328 0.400 . 1 . . . . 29 ASN CA . 6950 1 323 . 1 1 29 29 ASN CB C 13 36.701 0.400 . 1 . . . . 29 ASN CB . 6950 1 324 . 1 1 29 29 ASN N N 15 117.079 0.400 . 1 . . . . 29 ASN N . 6950 1 325 . 1 1 29 29 ASN ND2 N 15 112.580 0.400 . 1 . . . . 29 ASN ND2 . 6950 1 326 . 1 1 30 30 LEU H H 1 8.215 0.020 . 1 . . . . 30 LEU H . 6950 1 327 . 1 1 30 30 LEU HA H 1 4.557 0.020 . 1 . . . . 30 LEU HA . 6950 1 328 . 1 1 30 30 LEU HB2 H 1 1.598 0.020 . 2 . . . . 30 LEU HB2 . 6950 1 329 . 1 1 30 30 LEU HB3 H 1 1.654 0.020 . 2 . . . . 30 LEU HB3 . 6950 1 330 . 1 1 30 30 LEU HG H 1 1.521 0.020 . 1 . . . . 30 LEU HG . 6950 1 331 . 1 1 30 30 LEU HD11 H 1 0.667 0.020 . 2 . . . . 30 LEU HD1 . 6950 1 332 . 1 1 30 30 LEU HD12 H 1 0.667 0.020 . 2 . . . . 30 LEU HD1 . 6950 1 333 . 1 1 30 30 LEU HD13 H 1 0.667 0.020 . 2 . . . . 30 LEU HD1 . 6950 1 334 . 1 1 30 30 LEU HD21 H 1 0.723 0.020 . 2 . . . . 30 LEU HD2 . 6950 1 335 . 1 1 30 30 LEU HD22 H 1 0.723 0.020 . 2 . . . . 30 LEU HD2 . 6950 1 336 . 1 1 30 30 LEU HD23 H 1 0.723 0.020 . 2 . . . . 30 LEU HD2 . 6950 1 337 . 1 1 30 30 LEU C C 13 178.481 0.400 . 1 . . . . 30 LEU C . 6950 1 338 . 1 1 30 30 LEU CA C 13 53.980 0.400 . 1 . . . . 30 LEU CA . 6950 1 339 . 1 1 30 30 LEU CB C 13 43.087 0.400 . 1 . . . . 30 LEU CB . 6950 1 340 . 1 1 30 30 LEU CG C 13 27.260 0.400 . 1 . . . . 30 LEU CG . 6950 1 341 . 1 1 30 30 LEU CD1 C 13 25.621 0.400 . 1 . . . . 30 LEU CD1 . 6950 1 342 . 1 1 30 30 LEU CD2 C 13 22.780 0.400 . 1 . . . . 30 LEU CD2 . 6950 1 343 . 1 1 30 30 LEU N N 15 120.245 0.400 . 1 . . . . 30 LEU N . 6950 1 344 . 1 1 31 31 THR H H 1 8.942 0.020 . 1 . . . . 31 THR H . 6950 1 345 . 1 1 31 31 THR HA H 1 4.422 0.020 . 1 . . . . 31 THR HA . 6950 1 346 . 1 1 31 31 THR HB H 1 4.748 0.020 . 1 . . . . 31 THR HB . 6950 1 347 . 1 1 31 31 THR HG21 H 1 1.356 0.020 . 1 . . . . 31 THR HG2 . 6950 1 348 . 1 1 31 31 THR HG22 H 1 1.356 0.020 . 1 . . . . 31 THR HG2 . 6950 1 349 . 1 1 31 31 THR HG23 H 1 1.356 0.020 . 1 . . . . 31 THR HG2 . 6950 1 350 . 1 1 31 31 THR C C 13 175.021 0.400 . 1 . . . . 31 THR C . 6950 1 351 . 1 1 31 31 THR CA C 13 61.020 0.400 . 1 . . . . 31 THR CA . 6950 1 352 . 1 1 31 31 THR CB C 13 70.805 0.400 . 1 . . . . 31 THR CB . 6950 1 353 . 1 1 31 31 THR CG2 C 13 21.597 0.400 . 1 . . . . 31 THR CG2 . 6950 1 354 . 1 1 31 31 THR N N 15 112.983 0.400 . 1 . . . . 31 THR N . 6950 1 355 . 1 1 32 32 ASP H H 1 8.867 0.020 . 1 . . . . 32 ASP H . 6950 1 356 . 1 1 32 32 ASP HA H 1 4.376 0.020 . 1 . . . . 32 ASP HA . 6950 1 357 . 1 1 32 32 ASP HB2 H 1 2.790 0.020 . 2 . . . . 32 ASP HB2 . 6950 1 358 . 1 1 32 32 ASP HB3 H 1 2.689 0.020 . 2 . . . . 32 ASP HB3 . 6950 1 359 . 1 1 32 32 ASP C C 13 179.201 0.400 . 1 . . . . 32 ASP C . 6950 1 360 . 1 1 32 32 ASP CA C 13 57.918 0.400 . 1 . . . . 32 ASP CA . 6950 1 361 . 1 1 32 32 ASP CB C 13 39.318 0.400 . 1 . . . . 32 ASP CB . 6950 1 362 . 1 1 32 32 ASP N N 15 120.946 0.400 . 1 . . . . 32 ASP N . 6950 1 363 . 1 1 33 33 LYS H H 1 8.381 0.020 . 1 . . . . 33 LYS H . 6950 1 364 . 1 1 33 33 LYS HA H 1 4.114 0.020 . 1 . . . . 33 LYS HA . 6950 1 365 . 1 1 33 33 LYS HB2 H 1 1.812 0.020 . 2 . . . . 33 LYS HB2 . 6950 1 366 . 1 1 33 33 LYS HB3 H 1 1.564 0.020 . 2 . . . . 33 LYS HB3 . 6950 1 367 . 1 1 33 33 LYS HE2 H 1 3.186 0.020 . 1 . . . . 33 LYS HE2 . 6950 1 368 . 1 1 33 33 LYS HE3 H 1 3.186 0.020 . 1 . . . . 33 LYS HE3 . 6950 1 369 . 1 1 33 33 LYS C C 13 180.051 0.400 . 1 . . . . 33 LYS C . 6950 1 370 . 1 1 33 33 LYS CA C 13 58.675 0.400 . 1 . . . . 33 LYS CA . 6950 1 371 . 1 1 33 33 LYS CB C 13 31.785 0.400 . 1 . . . . 33 LYS CB . 6950 1 372 . 1 1 33 33 LYS CD C 13 28.940 0.400 . 1 . . . . 33 LYS CD . 6950 1 373 . 1 1 33 33 LYS CE C 13 42.160 0.400 . 1 . . . . 33 LYS CE . 6950 1 374 . 1 1 33 33 LYS N N 15 119.558 0.400 . 1 . . . . 33 LYS N . 6950 1 375 . 1 1 34 34 GLU H H 1 7.794 0.020 . 1 . . . . 34 GLU H . 6950 1 376 . 1 1 34 34 GLU HA H 1 4.040 0.020 . 1 . . . . 34 GLU HA . 6950 1 377 . 1 1 34 34 GLU HB2 H 1 2.400 0.020 . 2 . . . . 34 GLU HB2 . 6950 1 378 . 1 1 34 34 GLU HB3 H 1 1.930 0.020 . 2 . . . . 34 GLU HB3 . 6950 1 379 . 1 1 34 34 GLU HG2 H 1 2.343 0.020 . 2 . . . . 34 GLU HG2 . 6950 1 380 . 1 1 34 34 GLU HG3 H 1 2.244 0.020 . 2 . . . . 34 GLU HG3 . 6950 1 381 . 1 1 34 34 GLU C C 13 179.981 0.400 . 1 . . . . 34 GLU C . 6950 1 382 . 1 1 34 34 GLU CA C 13 58.565 0.400 . 1 . . . . 34 GLU CA . 6950 1 383 . 1 1 34 34 GLU CB C 13 30.113 0.400 . 1 . . . . 34 GLU CB . 6950 1 384 . 1 1 34 34 GLU CG C 13 37.414 0.400 . 1 . . . . 34 GLU CG . 6950 1 385 . 1 1 34 34 GLU N N 15 120.949 0.400 . 1 . . . . 34 GLU N . 6950 1 386 . 1 1 35 35 LEU H H 1 8.968 0.020 . 1 . . . . 35 LEU H . 6950 1 387 . 1 1 35 35 LEU HA H 1 4.240 0.020 . 1 . . . . 35 LEU HA . 6950 1 388 . 1 1 35 35 LEU HB2 H 1 1.741 0.020 . 2 . . . . 35 LEU HB2 . 6950 1 389 . 1 1 35 35 LEU HB3 H 1 1.963 0.020 . 2 . . . . 35 LEU HB3 . 6950 1 390 . 1 1 35 35 LEU HG H 1 1.845 0.020 . 1 . . . . 35 LEU HG . 6950 1 391 . 1 1 35 35 LEU HD11 H 1 0.738 0.020 . 2 . . . . 35 LEU HD1 . 6950 1 392 . 1 1 35 35 LEU HD12 H 1 0.738 0.020 . 2 . . . . 35 LEU HD1 . 6950 1 393 . 1 1 35 35 LEU HD13 H 1 0.738 0.020 . 2 . . . . 35 LEU HD1 . 6950 1 394 . 1 1 35 35 LEU HD21 H 1 0.802 0.020 . 2 . . . . 35 LEU HD2 . 6950 1 395 . 1 1 35 35 LEU HD22 H 1 0.802 0.020 . 2 . . . . 35 LEU HD2 . 6950 1 396 . 1 1 35 35 LEU HD23 H 1 0.802 0.020 . 2 . . . . 35 LEU HD2 . 6950 1 397 . 1 1 35 35 LEU C C 13 178.821 0.400 . 1 . . . . 35 LEU C . 6950 1 398 . 1 1 35 35 LEU CA C 13 57.831 0.400 . 1 . . . . 35 LEU CA . 6950 1 399 . 1 1 35 35 LEU CB C 13 41.674 0.400 . 1 . . . . 35 LEU CB . 6950 1 400 . 1 1 35 35 LEU CG C 13 26.825 0.400 . 1 . . . . 35 LEU CG . 6950 1 401 . 1 1 35 35 LEU CD1 C 13 24.905 0.400 . 1 . . . . 35 LEU CD1 . 6950 1 402 . 1 1 35 35 LEU CD2 C 13 24.906 0.400 . 1 . . . . 35 LEU CD2 . 6950 1 403 . 1 1 35 35 LEU N N 15 122.986 0.400 . 1 . . . . 35 LEU N . 6950 1 404 . 1 1 36 36 GLU H H 1 8.158 0.020 . 1 . . . . 36 GLU H . 6950 1 405 . 1 1 36 36 GLU HA H 1 4.265 0.020 . 1 . . . . 36 GLU HA . 6950 1 406 . 1 1 36 36 GLU HB2 H 1 2.160 0.020 . 1 . . . . 36 GLU HB2 . 6950 1 407 . 1 1 36 36 GLU HB3 H 1 2.160 0.020 . 1 . . . . 36 GLU HB3 . 6950 1 408 . 1 1 36 36 GLU HG2 H 1 2.397 0.020 . 1 . . . . 36 GLU HG2 . 6950 1 409 . 1 1 36 36 GLU HG3 H 1 2.397 0.020 . 1 . . . . 36 GLU HG3 . 6950 1 410 . 1 1 36 36 GLU C C 13 179.031 0.400 . 1 . . . . 36 GLU C . 6950 1 411 . 1 1 36 36 GLU CA C 13 58.733 0.400 . 1 . . . . 36 GLU CA . 6950 1 412 . 1 1 36 36 GLU CB C 13 28.529 0.400 . 1 . . . . 36 GLU CB . 6950 1 413 . 1 1 36 36 GLU CG C 13 36.060 0.400 . 1 . . . . 36 GLU CG . 6950 1 414 . 1 1 36 36 GLU N N 15 119.284 0.400 . 1 . . . . 36 GLU N . 6950 1 415 . 1 1 37 37 ALA H H 1 7.796 0.020 . 1 . . . . 37 ALA H . 6950 1 416 . 1 1 37 37 ALA HA H 1 4.284 0.020 . 1 . . . . 37 ALA HA . 6950 1 417 . 1 1 37 37 ALA HB1 H 1 1.521 0.020 . 1 . . . . 37 ALA HB . 6950 1 418 . 1 1 37 37 ALA HB2 H 1 1.521 0.020 . 1 . . . . 37 ALA HB . 6950 1 419 . 1 1 37 37 ALA HB3 H 1 1.521 0.020 . 1 . . . . 37 ALA HB . 6950 1 420 . 1 1 37 37 ALA C C 13 181.031 0.400 . 1 . . . . 37 ALA C . 6950 1 421 . 1 1 37 37 ALA CA C 13 54.886 0.400 . 1 . . . . 37 ALA CA . 6950 1 422 . 1 1 37 37 ALA CB C 13 17.674 0.400 . 1 . . . . 37 ALA CB . 6950 1 423 . 1 1 37 37 ALA N N 15 121.691 0.400 . 1 . . . . 37 ALA N . 6950 1 424 . 1 1 38 38 PHE H H 1 8.458 0.020 . 1 . . . . 38 PHE H . 6950 1 425 . 1 1 38 38 PHE HA H 1 4.341 0.020 . 1 . . . . 38 PHE HA . 6950 1 426 . 1 1 38 38 PHE HB2 H 1 3.265 0.020 . 2 . . . . 38 PHE HB2 . 6950 1 427 . 1 1 38 38 PHE HB3 H 1 3.353 0.020 . 2 . . . . 38 PHE HB3 . 6950 1 428 . 1 1 38 38 PHE HD1 H 1 7.240 0.020 . 1 . . . . 38 PHE HD1 . 6950 1 429 . 1 1 38 38 PHE HD2 H 1 7.240 0.020 . 1 . . . . 38 PHE HD2 . 6950 1 430 . 1 1 38 38 PHE HE1 H 1 7.175 0.020 . 1 . . . . 38 PHE HE1 . 6950 1 431 . 1 1 38 38 PHE HE2 H 1 7.175 0.020 . 1 . . . . 38 PHE HE2 . 6950 1 432 . 1 1 38 38 PHE HZ H 1 6.837 0.020 . 1 . . . . 38 PHE HZ . 6950 1 433 . 1 1 38 38 PHE C C 13 177.201 0.400 . 1 . . . . 38 PHE C . 6950 1 434 . 1 1 38 38 PHE CA C 13 61.755 0.400 . 1 . . . . 38 PHE CA . 6950 1 435 . 1 1 38 38 PHE CB C 13 39.217 0.400 . 1 . . . . 38 PHE CB . 6950 1 436 . 1 1 38 38 PHE CD1 C 13 131.420 0.400 . 1 . . . . 38 PHE CD1 . 6950 1 437 . 1 1 38 38 PHE CE1 C 13 132.238 0.400 . 1 . . . . 38 PHE CE1 . 6950 1 438 . 1 1 38 38 PHE CZ C 13 129.559 0.400 . 1 . . . . 38 PHE CZ . 6950 1 439 . 1 1 38 38 PHE N N 15 120.809 0.400 . 1 . . . . 38 PHE N . 6950 1 440 . 1 1 39 39 ARG H H 1 8.980 0.020 . 1 . . . . 39 ARG H . 6950 1 441 . 1 1 39 39 ARG HA H 1 3.563 0.020 . 1 . . . . 39 ARG HA . 6950 1 442 . 1 1 39 39 ARG HB2 H 1 2.110 0.020 . 2 . . . . 39 ARG HB2 . 6950 1 443 . 1 1 39 39 ARG HB3 H 1 2.050 0.020 . 2 . . . . 39 ARG HB3 . 6950 1 444 . 1 1 39 39 ARG HD2 H 1 2.925 0.020 . 1 . . . . 39 ARG HD2 . 6950 1 445 . 1 1 39 39 ARG HD3 H 1 2.925 0.020 . 1 . . . . 39 ARG HD3 . 6950 1 446 . 1 1 39 39 ARG C C 13 178.401 0.400 . 1 . . . . 39 ARG C . 6950 1 447 . 1 1 39 39 ARG CA C 13 60.055 0.400 . 1 . . . . 39 ARG CA . 6950 1 448 . 1 1 39 39 ARG CB C 13 29.075 0.400 . 1 . . . . 39 ARG CB . 6950 1 449 . 1 1 39 39 ARG CG C 13 27.520 0.400 . 1 . . . . 39 ARG CG . 6950 1 450 . 1 1 39 39 ARG N N 15 120.848 0.400 . 1 . . . . 39 ARG N . 6950 1 451 . 1 1 40 40 GLU H H 1 7.704 0.020 . 1 . . . . 40 GLU H . 6950 1 452 . 1 1 40 40 GLU HA H 1 3.957 0.020 . 1 . . . . 40 GLU HA . 6950 1 453 . 1 1 40 40 GLU HB2 H 1 1.513 0.020 . 1 . . . . 40 GLU HB2 . 6950 1 454 . 1 1 40 40 GLU HB3 H 1 1.513 0.020 . 1 . . . . 40 GLU HB3 . 6950 1 455 . 1 1 40 40 GLU HG2 H 1 2.326 0.020 . 2 . . . . 40 GLU HG2 . 6950 1 456 . 1 1 40 40 GLU HG3 H 1 2.170 0.020 . 2 . . . . 40 GLU HG3 . 6950 1 457 . 1 1 40 40 GLU C C 13 179.151 0.400 . 1 . . . . 40 GLU C . 6950 1 458 . 1 1 40 40 GLU CA C 13 58.916 0.400 . 1 . . . . 40 GLU CA . 6950 1 459 . 1 1 40 40 GLU CB C 13 28.638 0.400 . 1 . . . . 40 GLU CB . 6950 1 460 . 1 1 40 40 GLU CG C 13 36.090 0.400 . 1 . . . . 40 GLU CG . 6950 1 461 . 1 1 40 40 GLU N N 15 116.864 0.400 . 1 . . . . 40 GLU N . 6950 1 462 . 1 1 41 41 GLU H H 1 7.931 0.020 . 1 . . . . 41 GLU H . 6950 1 463 . 1 1 41 41 GLU HA H 1 4.119 0.020 . 1 . . . . 41 GLU HA . 6950 1 464 . 1 1 41 41 GLU HB3 H 1 2.073 0.020 . 2 . . . . 41 GLU HB3 . 6950 1 465 . 1 1 41 41 GLU HG2 H 1 2.503 0.020 . 2 . . . . 41 GLU HG2 . 6950 1 466 . 1 1 41 41 GLU HG3 H 1 2.235 0.020 . 2 . . . . 41 GLU HG3 . 6950 1 467 . 1 1 41 41 GLU C C 13 180.251 0.400 . 1 . . . . 41 GLU C . 6950 1 468 . 1 1 41 41 GLU CA C 13 59.415 0.400 . 1 . . . . 41 GLU CA . 6950 1 469 . 1 1 41 41 GLU CB C 13 28.693 0.400 . 1 . . . . 41 GLU CB . 6950 1 470 . 1 1 41 41 GLU CG C 13 36.754 0.400 . 1 . . . . 41 GLU CG . 6950 1 471 . 1 1 41 41 GLU N N 15 120.062 0.400 . 1 . . . . 41 GLU N . 6950 1 472 . 1 1 42 42 LEU H H 1 8.742 0.020 . 1 . . . . 42 LEU H . 6950 1 473 . 1 1 42 42 LEU HA H 1 3.942 0.020 . 1 . . . . 42 LEU HA . 6950 1 474 . 1 1 42 42 LEU HB2 H 1 1.839 0.020 . 2 . . . . 42 LEU HB2 . 6950 1 475 . 1 1 42 42 LEU HB3 H 1 1.459 0.020 . 2 . . . . 42 LEU HB3 . 6950 1 476 . 1 1 42 42 LEU HG H 1 1.690 0.020 . 1 . . . . 42 LEU HG . 6950 1 477 . 1 1 42 42 LEU HD11 H 1 0.689 0.020 . 2 . . . . 42 LEU HD1 . 6950 1 478 . 1 1 42 42 LEU HD12 H 1 0.689 0.020 . 2 . . . . 42 LEU HD1 . 6950 1 479 . 1 1 42 42 LEU HD13 H 1 0.689 0.020 . 2 . . . . 42 LEU HD1 . 6950 1 480 . 1 1 42 42 LEU HD21 H 1 0.823 0.020 . 2 . . . . 42 LEU HD2 . 6950 1 481 . 1 1 42 42 LEU HD22 H 1 0.823 0.020 . 2 . . . . 42 LEU HD2 . 6950 1 482 . 1 1 42 42 LEU HD23 H 1 0.823 0.020 . 2 . . . . 42 LEU HD2 . 6950 1 483 . 1 1 42 42 LEU C C 13 177.101 0.400 . 1 . . . . 42 LEU C . 6950 1 484 . 1 1 42 42 LEU CA C 13 57.329 0.400 . 1 . . . . 42 LEU CA . 6950 1 485 . 1 1 42 42 LEU CB C 13 41.428 0.400 . 1 . . . . 42 LEU CB . 6950 1 486 . 1 1 42 42 LEU CG C 13 26.580 0.400 . 1 . . . . 42 LEU CG . 6950 1 487 . 1 1 42 42 LEU CD1 C 13 24.192 0.400 . 1 . . . . 42 LEU CD1 . 6950 1 488 . 1 1 42 42 LEU CD2 C 13 26.535 0.400 . 1 . . . . 42 LEU CD2 . 6950 1 489 . 1 1 42 42 LEU N N 15 120.827 0.400 . 1 . . . . 42 LEU N . 6950 1 490 . 1 1 43 43 LYS H H 1 8.068 0.020 . 1 . . . . 43 LYS H . 6950 1 491 . 1 1 43 43 LYS HA H 1 4.178 0.020 . 1 . . . . 43 LYS HA . 6950 1 492 . 1 1 43 43 LYS HB2 H 1 2.050 0.020 . 2 . . . . 43 LYS HB2 . 6950 1 493 . 1 1 43 43 LYS HB3 H 1 1.910 0.020 . 2 . . . . 43 LYS HB3 . 6950 1 494 . 1 1 43 43 LYS HG2 H 1 1.624 0.020 . 1 . . . . 43 LYS HG2 . 6950 1 495 . 1 1 43 43 LYS HG3 H 1 1.624 0.020 . 1 . . . . 43 LYS HG3 . 6950 1 496 . 1 1 43 43 LYS C C 13 180.191 0.400 . 1 . . . . 43 LYS C . 6950 1 497 . 1 1 43 43 LYS CA C 13 58.954 0.400 . 1 . . . . 43 LYS CA . 6950 1 498 . 1 1 43 43 LYS CB C 13 31.831 0.400 . 1 . . . . 43 LYS CB . 6950 1 499 . 1 1 43 43 LYS CG C 13 24.790 0.400 . 1 . . . . 43 LYS CG . 6950 1 500 . 1 1 43 43 LYS CD C 13 29.180 0.400 . 1 . . . . 43 LYS CD . 6950 1 501 . 1 1 43 43 LYS CE C 13 41.940 0.400 . 1 . . . . 43 LYS CE . 6950 1 502 . 1 1 43 43 LYS N N 15 120.472 0.400 . 1 . . . . 43 LYS N . 6950 1 503 . 1 1 44 44 HIS H H 1 7.711 0.020 . 1 . . . . 44 HIS H . 6950 1 504 . 1 1 44 44 HIS HA H 1 4.509 0.020 . 1 . . . . 44 HIS HA . 6950 1 505 . 1 1 44 44 HIS HB2 H 1 3.360 0.020 . 2 . . . . 44 HIS HB2 . 6950 1 506 . 1 1 44 44 HIS HB3 H 1 3.256 0.020 . 2 . . . . 44 HIS HB3 . 6950 1 507 . 1 1 44 44 HIS HD2 H 1 7.142 0.020 . 1 . . . . 44 HIS HD2 . 6950 1 508 . 1 1 44 44 HIS C C 13 178.411 0.400 . 1 . . . . 44 HIS C . 6950 1 509 . 1 1 44 44 HIS CA C 13 58.698 0.400 . 1 . . . . 44 HIS CA . 6950 1 510 . 1 1 44 44 HIS CB C 13 29.877 0.400 . 1 . . . . 44 HIS CB . 6950 1 511 . 1 1 44 44 HIS N N 15 119.539 0.400 . 1 . . . . 44 HIS N . 6950 1 512 . 1 1 45 45 PHE H H 1 8.604 0.020 . 1 . . . . 45 PHE H . 6950 1 513 . 1 1 45 45 PHE HA H 1 4.481 0.020 . 1 . . . . 45 PHE HA . 6950 1 514 . 1 1 45 45 PHE HB2 H 1 3.090 0.020 . 1 . . . . 45 PHE HB2 . 6950 1 515 . 1 1 45 45 PHE HB3 H 1 3.090 0.020 . 1 . . . . 45 PHE HB3 . 6950 1 516 . 1 1 45 45 PHE HD1 H 1 7.040 0.020 . 1 . . . . 45 PHE HD1 . 6950 1 517 . 1 1 45 45 PHE HD2 H 1 7.040 0.020 . 1 . . . . 45 PHE HD2 . 6950 1 518 . 1 1 45 45 PHE HE1 H 1 7.193 0.020 . 1 . . . . 45 PHE HE1 . 6950 1 519 . 1 1 45 45 PHE HE2 H 1 7.193 0.020 . 1 . . . . 45 PHE HE2 . 6950 1 520 . 1 1 45 45 PHE HZ H 1 6.827 0.020 . 1 . . . . 45 PHE HZ . 6950 1 521 . 1 1 45 45 PHE C C 13 176.861 0.400 . 1 . . . . 45 PHE C . 6950 1 522 . 1 1 45 45 PHE CA C 13 59.163 0.400 . 1 . . . . 45 PHE CA . 6950 1 523 . 1 1 45 45 PHE CB C 13 39.001 0.400 . 1 . . . . 45 PHE CB . 6950 1 524 . 1 1 45 45 PHE CD1 C 13 131.059 0.400 . 1 . . . . 45 PHE CD1 . 6950 1 525 . 1 1 45 45 PHE CE1 C 13 130.523 0.400 . 1 . . . . 45 PHE CE1 . 6950 1 526 . 1 1 45 45 PHE CZ C 13 129.747 0.400 . 1 . . . . 45 PHE CZ . 6950 1 527 . 1 1 45 45 PHE N N 15 122.228 0.400 . 1 . . . . 45 PHE N . 6950 1 528 . 1 1 46 46 GLU H H 1 9.022 0.020 . 1 . . . . 46 GLU H . 6950 1 529 . 1 1 46 46 GLU HA H 1 3.456 0.020 . 1 . . . . 46 GLU HA . 6950 1 530 . 1 1 46 46 GLU HB2 H 1 2.260 0.020 . 2 . . . . 46 GLU HB2 . 6950 1 531 . 1 1 46 46 GLU HB3 H 1 2.400 0.020 . 2 . . . . 46 GLU HB3 . 6950 1 532 . 1 1 46 46 GLU HG2 H 1 2.136 0.020 . 2 . . . . 46 GLU HG2 . 6950 1 533 . 1 1 46 46 GLU HG3 H 1 2.378 0.020 . 2 . . . . 46 GLU HG3 . 6950 1 534 . 1 1 46 46 GLU C C 13 178.061 0.400 . 1 . . . . 46 GLU C . 6950 1 535 . 1 1 46 46 GLU CA C 13 60.326 0.400 . 1 . . . . 46 GLU CA . 6950 1 536 . 1 1 46 46 GLU CB C 13 29.961 0.400 . 1 . . . . 46 GLU CB . 6950 1 537 . 1 1 46 46 GLU CG C 13 37.896 0.400 . 1 . . . . 46 GLU CG . 6950 1 538 . 1 1 46 46 GLU N N 15 120.737 0.400 . 1 . . . . 46 GLU N . 6950 1 539 . 1 1 47 47 ALA H H 1 7.529 0.020 . 1 . . . . 47 ALA H . 6950 1 540 . 1 1 47 47 ALA HA H 1 4.258 0.020 . 1 . . . . 47 ALA HA . 6950 1 541 . 1 1 47 47 ALA HB1 H 1 1.568 0.020 . 1 . . . . 47 ALA HB . 6950 1 542 . 1 1 47 47 ALA HB2 H 1 1.568 0.020 . 1 . . . . 47 ALA HB . 6950 1 543 . 1 1 47 47 ALA HB3 H 1 1.568 0.020 . 1 . . . . 47 ALA HB . 6950 1 544 . 1 1 47 47 ALA C C 13 180.951 0.400 . 1 . . . . 47 ALA C . 6950 1 545 . 1 1 47 47 ALA CA C 13 54.827 0.400 . 1 . . . . 47 ALA CA . 6950 1 546 . 1 1 47 47 ALA CB C 13 17.805 0.400 . 1 . . . . 47 ALA CB . 6950 1 547 . 1 1 47 47 ALA N N 15 119.431 0.400 . 1 . . . . 47 ALA N . 6950 1 548 . 1 1 48 48 LYS H H 1 7.790 0.020 . 1 . . . . 48 LYS H . 6950 1 549 . 1 1 48 48 LYS HA H 1 4.092 0.020 . 1 . . . . 48 LYS HA . 6950 1 550 . 1 1 48 48 LYS HB2 H 1 1.580 0.020 . 2 . . . . 48 LYS HB2 . 6950 1 551 . 1 1 48 48 LYS HB3 H 1 2.000 0.020 . 2 . . . . 48 LYS HB3 . 6950 1 552 . 1 1 48 48 LYS HE2 H 1 3.493 0.020 . 1 . . . . 48 LYS HE2 . 6950 1 553 . 1 1 48 48 LYS HE3 H 1 3.493 0.020 . 1 . . . . 48 LYS HE3 . 6950 1 554 . 1 1 48 48 LYS C C 13 178.731 0.400 . 1 . . . . 48 LYS C . 6950 1 555 . 1 1 48 48 LYS CA C 13 59.074 0.400 . 1 . . . . 48 LYS CA . 6950 1 556 . 1 1 48 48 LYS CB C 13 32.301 0.400 . 1 . . . . 48 LYS CB . 6950 1 557 . 1 1 48 48 LYS CG C 13 25.350 0.400 . 1 . . . . 48 LYS CG . 6950 1 558 . 1 1 48 48 LYS CE C 13 42.040 0.400 . 1 . . . . 48 LYS CE . 6950 1 559 . 1 1 48 48 LYS N N 15 120.875 0.400 . 1 . . . . 48 LYS N . 6950 1 560 . 1 1 49 49 ILE H H 1 7.920 0.020 . 1 . . . . 49 ILE H . 6950 1 561 . 1 1 49 49 ILE HA H 1 4.122 0.020 . 1 . . . . 49 ILE HA . 6950 1 562 . 1 1 49 49 ILE HB H 1 1.796 0.020 . 1 . . . . 49 ILE HB . 6950 1 563 . 1 1 49 49 ILE HG12 H 1 0.965 0.020 . 2 . . . . 49 ILE HG12 . 6950 1 564 . 1 1 49 49 ILE HG13 H 1 1.471 0.020 . 2 . . . . 49 ILE HG13 . 6950 1 565 . 1 1 49 49 ILE HG21 H 1 0.998 0.020 . 1 . . . . 49 ILE HG2 . 6950 1 566 . 1 1 49 49 ILE HG22 H 1 0.998 0.020 . 1 . . . . 49 ILE HG2 . 6950 1 567 . 1 1 49 49 ILE HG23 H 1 0.998 0.020 . 1 . . . . 49 ILE HG2 . 6950 1 568 . 1 1 49 49 ILE HD11 H 1 0.725 0.020 . 1 . . . . 49 ILE HD1 . 6950 1 569 . 1 1 49 49 ILE HD12 H 1 0.725 0.020 . 1 . . . . 49 ILE HD1 . 6950 1 570 . 1 1 49 49 ILE HD13 H 1 0.725 0.020 . 1 . . . . 49 ILE HD1 . 6950 1 571 . 1 1 49 49 ILE C C 13 178.021 0.400 . 1 . . . . 49 ILE C . 6950 1 572 . 1 1 49 49 ILE CA C 13 66.041 0.400 . 1 . . . . 49 ILE CA . 6950 1 573 . 1 1 49 49 ILE CB C 13 38.304 0.400 . 1 . . . . 49 ILE CB . 6950 1 574 . 1 1 49 49 ILE CG1 C 13 30.086 0.400 . 1 . . . . 49 ILE CG1 . 6950 1 575 . 1 1 49 49 ILE CG2 C 13 17.095 0.400 . 1 . . . . 49 ILE CG2 . 6950 1 576 . 1 1 49 49 ILE CD1 C 13 13.798 0.400 . 1 . . . . 49 ILE CD1 . 6950 1 577 . 1 1 49 49 ILE N N 15 121.109 0.400 . 1 . . . . 49 ILE N . 6950 1 578 . 1 1 50 50 GLU H H 1 8.221 0.020 . 1 . . . . 50 GLU H . 6950 1 579 . 1 1 50 50 GLU HA H 1 4.081 0.020 . 1 . . . . 50 GLU HA . 6950 1 580 . 1 1 50 50 GLU HB2 H 1 1.707 0.020 . 2 . . . . 50 GLU HB2 . 6950 1 581 . 1 1 50 50 GLU HB3 H 1 2.000 0.020 . 2 . . . . 50 GLU HB3 . 6950 1 582 . 1 1 50 50 GLU HG2 H 1 2.180 0.020 . 1 . . . . 50 GLU HG2 . 6950 1 583 . 1 1 50 50 GLU HG3 H 1 2.180 0.020 . 1 . . . . 50 GLU HG3 . 6950 1 584 . 1 1 50 50 GLU C C 13 179.521 0.400 . 1 . . . . 50 GLU C . 6950 1 585 . 1 1 50 50 GLU CA C 13 59.242 0.400 . 1 . . . . 50 GLU CA . 6950 1 586 . 1 1 50 50 GLU CB C 13 29.291 0.400 . 1 . . . . 50 GLU CB . 6950 1 587 . 1 1 50 50 GLU CG C 13 36.310 0.400 . 1 . . . . 50 GLU CG . 6950 1 588 . 1 1 50 50 GLU N N 15 119.709 0.400 . 1 . . . . 50 GLU N . 6950 1 589 . 1 1 51 51 LYS H H 1 7.907 0.020 . 1 . . . . 51 LYS H . 6950 1 590 . 1 1 51 51 LYS HA H 1 4.161 0.020 . 1 . . . . 51 LYS HA . 6950 1 591 . 1 1 51 51 LYS HB2 H 1 2.000 0.020 . 1 . . . . 51 LYS HB2 . 6950 1 592 . 1 1 51 51 LYS HB3 H 1 2.000 0.020 . 1 . . . . 51 LYS HB3 . 6950 1 593 . 1 1 51 51 LYS HE2 H 1 3.493 0.020 . 1 . . . . 51 LYS HE2 . 6950 1 594 . 1 1 51 51 LYS HE3 H 1 3.493 0.020 . 1 . . . . 51 LYS HE3 . 6950 1 595 . 1 1 51 51 LYS C C 13 178.191 0.400 . 1 . . . . 51 LYS C . 6950 1 596 . 1 1 51 51 LYS CA C 13 58.998 0.400 . 1 . . . . 51 LYS CA . 6950 1 597 . 1 1 51 51 LYS CB C 13 31.205 0.400 . 1 . . . . 51 LYS CB . 6950 1 598 . 1 1 51 51 LYS CG C 13 24.880 0.400 . 1 . . . . 51 LYS CG . 6950 1 599 . 1 1 51 51 LYS CD C 13 29.330 0.400 . 1 . . . . 51 LYS CD . 6950 1 600 . 1 1 51 51 LYS CE C 13 41.850 0.400 . 1 . . . . 51 LYS CE . 6950 1 601 . 1 1 51 51 LYS N N 15 121.102 0.400 . 1 . . . . 51 LYS N . 6950 1 602 . 1 1 52 52 HIS H H 1 8.523 0.020 . 1 . . . . 52 HIS H . 6950 1 603 . 1 1 52 52 HIS HA H 1 4.273 0.020 . 1 . . . . 52 HIS HA . 6950 1 604 . 1 1 52 52 HIS HB2 H 1 3.520 0.020 . 2 . . . . 52 HIS HB2 . 6950 1 605 . 1 1 52 52 HIS HB3 H 1 3.026 0.020 . 2 . . . . 52 HIS HB3 . 6950 1 606 . 1 1 52 52 HIS HD2 H 1 7.036 0.020 . 1 . . . . 52 HIS HD2 . 6950 1 607 . 1 1 52 52 HIS C C 13 177.301 0.400 . 1 . . . . 52 HIS C . 6950 1 608 . 1 1 52 52 HIS CA C 13 60.343 0.400 . 1 . . . . 52 HIS CA . 6950 1 609 . 1 1 52 52 HIS CB C 13 31.198 0.400 . 1 . . . . 52 HIS CB . 6950 1 610 . 1 1 52 52 HIS CD2 C 13 120.063 0.400 . 1 . . . . 52 HIS CD2 . 6950 1 611 . 1 1 52 52 HIS N N 15 120.534 0.400 . 1 . . . . 52 HIS N . 6950 1 612 . 1 1 53 53 ASN H H 1 8.983 0.020 . 1 . . . . 53 ASN H . 6950 1 613 . 1 1 53 53 ASN HA H 1 4.276 0.020 . 1 . . . . 53 ASN HA . 6950 1 614 . 1 1 53 53 ASN HB2 H 1 3.011 0.020 . 2 . . . . 53 ASN HB2 . 6950 1 615 . 1 1 53 53 ASN HB3 H 1 2.784 0.020 . 2 . . . . 53 ASN HB3 . 6950 1 616 . 1 1 53 53 ASN HD21 H 1 7.009 0.020 . 2 . . . . 53 ASN HD21 . 6950 1 617 . 1 1 53 53 ASN HD22 H 1 7.653 0.020 . 2 . . . . 53 ASN HD22 . 6950 1 618 . 1 1 53 53 ASN C C 13 178.181 0.400 . 1 . . . . 53 ASN C . 6950 1 619 . 1 1 53 53 ASN CA C 13 55.846 0.400 . 1 . . . . 53 ASN CA . 6950 1 620 . 1 1 53 53 ASN CB C 13 37.193 0.400 . 1 . . . . 53 ASN CB . 6950 1 621 . 1 1 53 53 ASN N N 15 118.493 0.400 . 1 . . . . 53 ASN N . 6950 1 622 . 1 1 53 53 ASN ND2 N 15 112.169 0.400 . 1 . . . . 53 ASN ND2 . 6950 1 623 . 1 1 54 54 HIS H H 1 8.391 0.020 . 1 . . . . 54 HIS H . 6950 1 624 . 1 1 54 54 HIS HA H 1 4.372 0.020 . 1 . . . . 54 HIS HA . 6950 1 625 . 1 1 54 54 HIS HB2 H 1 3.214 0.020 . 2 . . . . 54 HIS HB2 . 6950 1 626 . 1 1 54 54 HIS HB3 H 1 3.413 0.020 . 2 . . . . 54 HIS HB3 . 6950 1 627 . 1 1 54 54 HIS HD2 H 1 6.484 0.020 . 1 . . . . 54 HIS HD2 . 6950 1 628 . 1 1 54 54 HIS C C 13 178.331 0.400 . 1 . . . . 54 HIS C . 6950 1 629 . 1 1 54 54 HIS CA C 13 59.630 0.400 . 1 . . . . 54 HIS CA . 6950 1 630 . 1 1 54 54 HIS CB C 13 30.016 0.400 . 1 . . . . 54 HIS CB . 6950 1 631 . 1 1 54 54 HIS N N 15 121.997 0.400 . 1 . . . . 54 HIS N . 6950 1 632 . 1 1 55 55 TYR H H 1 8.640 0.020 . 1 . . . . 55 TYR H . 6950 1 633 . 1 1 55 55 TYR HA H 1 3.962 0.020 . 1 . . . . 55 TYR HA . 6950 1 634 . 1 1 55 55 TYR HB2 H 1 3.593 0.020 . 2 . . . . 55 TYR HB2 . 6950 1 635 . 1 1 55 55 TYR HB3 H 1 3.009 0.020 . 2 . . . . 55 TYR HB3 . 6950 1 636 . 1 1 55 55 TYR HD1 H 1 7.190 0.020 . 1 . . . . 55 TYR HD1 . 6950 1 637 . 1 1 55 55 TYR HD2 H 1 7.190 0.020 . 1 . . . . 55 TYR HD2 . 6950 1 638 . 1 1 55 55 TYR C C 13 177.721 0.400 . 1 . . . . 55 TYR C . 6950 1 639 . 1 1 55 55 TYR CA C 13 62.220 0.400 . 1 . . . . 55 TYR CA . 6950 1 640 . 1 1 55 55 TYR CB C 13 36.476 0.400 . 1 . . . . 55 TYR CB . 6950 1 641 . 1 1 55 55 TYR N N 15 120.627 0.400 . 1 . . . . 55 TYR N . 6950 1 642 . 1 1 56 56 GLN H H 1 8.641 0.020 . 1 . . . . 56 GLN H . 6950 1 643 . 1 1 56 56 GLN HA H 1 3.933 0.020 . 1 . . . . 56 GLN HA . 6950 1 644 . 1 1 56 56 GLN HB2 H 1 2.131 0.020 . 2 . . . . 56 GLN HB2 . 6950 1 645 . 1 1 56 56 GLN HB3 H 1 2.211 0.020 . 2 . . . . 56 GLN HB3 . 6950 1 646 . 1 1 56 56 GLN HG2 H 1 2.027 0.020 . 1 . . . . 56 GLN HG2 . 6950 1 647 . 1 1 56 56 GLN HG3 H 1 2.027 0.020 . 1 . . . . 56 GLN HG3 . 6950 1 648 . 1 1 56 56 GLN HE21 H 1 6.715 0.020 . 1 . . . . 56 GLN HE21 . 6950 1 649 . 1 1 56 56 GLN HE22 H 1 6.715 0.020 . 1 . . . . 56 GLN HE22 . 6950 1 650 . 1 1 56 56 GLN C C 13 178.971 0.400 . 1 . . . . 56 GLN C . 6950 1 651 . 1 1 56 56 GLN CA C 13 59.591 0.400 . 1 . . . . 56 GLN CA . 6950 1 652 . 1 1 56 56 GLN CB C 13 28.202 0.400 . 1 . . . . 56 GLN CB . 6950 1 653 . 1 1 56 56 GLN CG C 13 34.490 0.400 . 1 . . . . 56 GLN CG . 6950 1 654 . 1 1 56 56 GLN N N 15 118.508 0.400 . 1 . . . . 56 GLN N . 6950 1 655 . 1 1 56 56 GLN NE2 N 15 110.917 0.400 . 1 . . . . 56 GLN NE2 . 6950 1 656 . 1 1 57 57 LYS H H 1 7.744 0.020 . 1 . . . . 57 LYS H . 6950 1 657 . 1 1 57 57 LYS HA H 1 4.127 0.020 . 1 . . . . 57 LYS HA . 6950 1 658 . 1 1 57 57 LYS HB2 H 1 1.938 0.020 . 1 . . . . 57 LYS HB2 . 6950 1 659 . 1 1 57 57 LYS HB3 H 1 1.938 0.020 . 1 . . . . 57 LYS HB3 . 6950 1 660 . 1 1 57 57 LYS HG2 H 1 1.730 0.020 . 1 . . . . 57 LYS HG2 . 6950 1 661 . 1 1 57 57 LYS HG3 H 1 1.730 0.020 . 1 . . . . 57 LYS HG3 . 6950 1 662 . 1 1 57 57 LYS HD2 H 1 1.506 0.020 . 1 . . . . 57 LYS HD2 . 6950 1 663 . 1 1 57 57 LYS HD3 H 1 1.506 0.020 . 1 . . . . 57 LYS HD3 . 6950 1 664 . 1 1 57 57 LYS HE2 H 1 2.973 0.020 . 1 . . . . 57 LYS HE2 . 6950 1 665 . 1 1 57 57 LYS HE3 H 1 2.973 0.020 . 1 . . . . 57 LYS HE3 . 6950 1 666 . 1 1 57 57 LYS C C 13 179.391 0.400 . 1 . . . . 57 LYS C . 6950 1 667 . 1 1 57 57 LYS CA C 13 58.570 0.400 . 1 . . . . 57 LYS CA . 6950 1 668 . 1 1 57 57 LYS CB C 13 30.659 0.400 . 1 . . . . 57 LYS CB . 6950 1 669 . 1 1 57 57 LYS CG C 13 24.790 0.400 . 1 . . . . 57 LYS CG . 6950 1 670 . 1 1 57 57 LYS CD C 13 28.740 0.400 . 1 . . . . 57 LYS CD . 6950 1 671 . 1 1 57 57 LYS CE C 13 42.180 0.400 . 1 . . . . 57 LYS CE . 6950 1 672 . 1 1 57 57 LYS N N 15 120.222 0.400 . 1 . . . . 57 LYS N . 6950 1 673 . 1 1 58 58 GLN H H 1 8.057 0.020 . 1 . . . . 58 GLN H . 6950 1 674 . 1 1 58 58 GLN HA H 1 3.926 0.020 . 1 . . . . 58 GLN HA . 6950 1 675 . 1 1 58 58 GLN HB2 H 1 2.021 0.020 . 1 . . . . 58 GLN HB2 . 6950 1 676 . 1 1 58 58 GLN HB3 H 1 2.021 0.020 . 1 . . . . 58 GLN HB3 . 6950 1 677 . 1 1 58 58 GLN HG2 H 1 2.182 0.020 . 2 . . . . 58 GLN HG2 . 6950 1 678 . 1 1 58 58 GLN HG3 H 1 2.021 0.020 . 2 . . . . 58 GLN HG3 . 6950 1 679 . 1 1 58 58 GLN HE21 H 1 6.732 0.020 . 1 . . . . 58 GLN HE21 . 6950 1 680 . 1 1 58 58 GLN HE22 H 1 6.732 0.020 . 1 . . . . 58 GLN HE22 . 6950 1 681 . 1 1 58 58 GLN C C 13 179.211 0.400 . 1 . . . . 58 GLN C . 6950 1 682 . 1 1 58 58 GLN CA C 13 58.021 0.400 . 1 . . . . 58 GLN CA . 6950 1 683 . 1 1 58 58 GLN CB C 13 27.929 0.400 . 1 . . . . 58 GLN CB . 6950 1 684 . 1 1 58 58 GLN CG C 13 34.125 0.400 . 1 . . . . 58 GLN CG . 6950 1 685 . 1 1 58 58 GLN N N 15 118.095 0.400 . 1 . . . . 58 GLN N . 6950 1 686 . 1 1 58 58 GLN NE2 N 15 112.805 0.400 . 1 . . . . 58 GLN NE2 . 6950 1 687 . 1 1 59 59 LEU H H 1 9.058 0.020 . 1 . . . . 59 LEU H . 6950 1 688 . 1 1 59 59 LEU HA H 1 3.894 0.020 . 1 . . . . 59 LEU HA . 6950 1 689 . 1 1 59 59 LEU HB2 H 1 2.216 0.020 . 2 . . . . 59 LEU HB2 . 6950 1 690 . 1 1 59 59 LEU HB3 H 1 1.469 0.020 . 2 . . . . 59 LEU HB3 . 6950 1 691 . 1 1 59 59 LEU HG H 1 1.644 0.020 . 1 . . . . 59 LEU HG . 6950 1 692 . 1 1 59 59 LEU HD11 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6950 1 693 . 1 1 59 59 LEU HD12 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6950 1 694 . 1 1 59 59 LEU HD13 H 1 0.938 0.020 . 2 . . . . 59 LEU HD1 . 6950 1 695 . 1 1 59 59 LEU HD21 H 1 0.584 0.020 . 2 . . . . 59 LEU HD2 . 6950 1 696 . 1 1 59 59 LEU HD22 H 1 0.584 0.020 . 2 . . . . 59 LEU HD2 . 6950 1 697 . 1 1 59 59 LEU HD23 H 1 0.584 0.020 . 2 . . . . 59 LEU HD2 . 6950 1 698 . 1 1 59 59 LEU C C 13 177.811 0.400 . 1 . . . . 59 LEU C . 6950 1 699 . 1 1 59 59 LEU CA C 13 58.204 0.400 . 1 . . . . 59 LEU CA . 6950 1 700 . 1 1 59 59 LEU CB C 13 41.599 0.400 . 1 . . . . 59 LEU CB . 6950 1 701 . 1 1 59 59 LEU CG C 13 26.353 0.400 . 1 . . . . 59 LEU CG . 6950 1 702 . 1 1 59 59 LEU CD1 C 13 26.317 0.400 . 1 . . . . 59 LEU CD1 . 6950 1 703 . 1 1 59 59 LEU CD2 C 13 24.555 0.400 . 1 . . . . 59 LEU CD2 . 6950 1 704 . 1 1 59 59 LEU N N 15 124.342 0.400 . 1 . . . . 59 LEU N . 6950 1 705 . 1 1 60 60 GLU H H 1 7.800 0.020 . 1 . . . . 60 GLU H . 6950 1 706 . 1 1 60 60 GLU HA H 1 4.129 0.020 . 1 . . . . 60 GLU HA . 6950 1 707 . 1 1 60 60 GLU HB2 H 1 2.225 0.020 . 1 . . . . 60 GLU HB2 . 6950 1 708 . 1 1 60 60 GLU HB3 H 1 2.225 0.020 . 1 . . . . 60 GLU HB3 . 6950 1 709 . 1 1 60 60 GLU HG2 H 1 1.671 0.020 . 1 . . . . 60 GLU HG2 . 6950 1 710 . 1 1 60 60 GLU HG3 H 1 1.671 0.020 . 1 . . . . 60 GLU HG3 . 6950 1 711 . 1 1 60 60 GLU C C 13 180.011 0.400 . 1 . . . . 60 GLU C . 6950 1 712 . 1 1 60 60 GLU CA C 13 59.171 0.400 . 1 . . . . 60 GLU CA . 6950 1 713 . 1 1 60 60 GLU CB C 13 28.748 0.400 . 1 . . . . 60 GLU CB . 6950 1 714 . 1 1 60 60 GLU CG C 13 36.320 0.400 . 1 . . . . 60 GLU CG . 6950 1 715 . 1 1 60 60 GLU N N 15 119.916 0.400 . 1 . . . . 60 GLU N . 6950 1 716 . 1 1 61 61 ILE H H 1 7.762 0.020 . 1 . . . . 61 ILE H . 6950 1 717 . 1 1 61 61 ILE HA H 1 3.830 0.020 . 1 . . . . 61 ILE HA . 6950 1 718 . 1 1 61 61 ILE HB H 1 1.887 0.020 . 1 . . . . 61 ILE HB . 6950 1 719 . 1 1 61 61 ILE HG12 H 1 1.755 0.020 . 2 . . . . 61 ILE HG12 . 6950 1 720 . 1 1 61 61 ILE HG13 H 1 1.142 0.020 . 2 . . . . 61 ILE HG13 . 6950 1 721 . 1 1 61 61 ILE HG21 H 1 0.941 0.020 . 1 . . . . 61 ILE HG2 . 6950 1 722 . 1 1 61 61 ILE HG22 H 1 0.941 0.020 . 1 . . . . 61 ILE HG2 . 6950 1 723 . 1 1 61 61 ILE HG23 H 1 0.941 0.020 . 1 . . . . 61 ILE HG2 . 6950 1 724 . 1 1 61 61 ILE HD11 H 1 0.817 0.020 . 1 . . . . 61 ILE HD1 . 6950 1 725 . 1 1 61 61 ILE HD12 H 1 0.817 0.020 . 1 . . . . 61 ILE HD1 . 6950 1 726 . 1 1 61 61 ILE HD13 H 1 0.817 0.020 . 1 . . . . 61 ILE HD1 . 6950 1 727 . 1 1 61 61 ILE C C 13 178.431 0.400 . 1 . . . . 61 ILE C . 6950 1 728 . 1 1 61 61 ILE CA C 13 64.591 0.400 . 1 . . . . 61 ILE CA . 6950 1 729 . 1 1 61 61 ILE CB C 13 38.171 0.400 . 1 . . . . 61 ILE CB . 6950 1 730 . 1 1 61 61 ILE CG1 C 13 28.811 0.400 . 1 . . . . 61 ILE CG1 . 6950 1 731 . 1 1 61 61 ILE CG2 C 13 17.093 0.400 . 1 . . . . 61 ILE CG2 . 6950 1 732 . 1 1 61 61 ILE CD1 C 13 13.105 0.400 . 1 . . . . 61 ILE CD1 . 6950 1 733 . 1 1 61 61 ILE N N 15 121.041 0.400 . 1 . . . . 61 ILE N . 6950 1 734 . 1 1 62 62 ALA H H 1 8.440 0.020 . 1 . . . . 62 ALA H . 6950 1 735 . 1 1 62 62 ALA HA H 1 4.090 0.020 . 1 . . . . 62 ALA HA . 6950 1 736 . 1 1 62 62 ALA HB1 H 1 1.648 0.020 . 1 . . . . 62 ALA HB . 6950 1 737 . 1 1 62 62 ALA HB2 H 1 1.648 0.020 . 1 . . . . 62 ALA HB . 6950 1 738 . 1 1 62 62 ALA HB3 H 1 1.648 0.020 . 1 . . . . 62 ALA HB . 6950 1 739 . 1 1 62 62 ALA C C 13 180.901 0.400 . 1 . . . . 62 ALA C . 6950 1 740 . 1 1 62 62 ALA CA C 13 55.123 0.400 . 1 . . . . 62 ALA CA . 6950 1 741 . 1 1 62 62 ALA CB C 13 18.001 0.400 . 1 . . . . 62 ALA CB . 6950 1 742 . 1 1 62 62 ALA N N 15 122.442 0.400 . 1 . . . . 62 ALA N . 6950 1 743 . 1 1 63 63 HIS H H 1 9.147 0.020 . 1 . . . . 63 HIS H . 6950 1 744 . 1 1 63 63 HIS HA H 1 4.071 0.020 . 1 . . . . 63 HIS HA . 6950 1 745 . 1 1 63 63 HIS HB2 H 1 3.400 0.020 . 1 . . . . 63 HIS HB2 . 6950 1 746 . 1 1 63 63 HIS HB3 H 1 3.400 0.020 . 1 . . . . 63 HIS HB3 . 6950 1 747 . 1 1 63 63 HIS C C 13 178.811 0.400 . 1 . . . . 63 HIS C . 6950 1 748 . 1 1 63 63 HIS CA C 13 59.398 0.400 . 1 . . . . 63 HIS CA . 6950 1 749 . 1 1 63 63 HIS CB C 13 29.908 0.400 . 1 . . . . 63 HIS CB . 6950 1 750 . 1 1 63 63 HIS N N 15 120.947 0.400 . 1 . . . . 63 HIS N . 6950 1 751 . 1 1 64 64 GLU H H 1 8.074 0.020 . 1 . . . . 64 GLU H . 6950 1 752 . 1 1 64 64 GLU HA H 1 3.967 0.020 . 1 . . . . 64 GLU HA . 6950 1 753 . 1 1 64 64 GLU HB2 H 1 1.624 0.020 . 2 . . . . 64 GLU HB2 . 6950 1 754 . 1 1 64 64 GLU HB3 H 1 2.227 0.020 . 2 . . . . 64 GLU HB3 . 6950 1 755 . 1 1 64 64 GLU HG2 H 1 2.380 0.020 . 1 . . . . 64 GLU HG2 . 6950 1 756 . 1 1 64 64 GLU HG3 H 1 2.380 0.020 . 1 . . . . 64 GLU HG3 . 6950 1 757 . 1 1 64 64 GLU C C 13 179.511 0.400 . 1 . . . . 64 GLU C . 6950 1 758 . 1 1 64 64 GLU CA C 13 59.167 0.400 . 1 . . . . 64 GLU CA . 6950 1 759 . 1 1 64 64 GLU CB C 13 28.365 0.400 . 1 . . . . 64 GLU CB . 6950 1 760 . 1 1 64 64 GLU CG C 13 36.130 0.400 . 1 . . . . 64 GLU CG . 6950 1 761 . 1 1 64 64 GLU N N 15 120.521 0.400 . 1 . . . . 64 GLU N . 6950 1 762 . 1 1 65 65 LYS H H 1 8.310 0.020 . 1 . . . . 65 LYS H . 6950 1 763 . 1 1 65 65 LYS HA H 1 4.047 0.020 . 1 . . . . 65 LYS HA . 6950 1 764 . 1 1 65 65 LYS HB2 H 1 1.942 0.020 . 1 . . . . 65 LYS HB2 . 6950 1 765 . 1 1 65 65 LYS HB3 H 1 1.942 0.020 . 1 . . . . 65 LYS HB3 . 6950 1 766 . 1 1 65 65 LYS HG2 H 1 1.694 0.020 . 1 . . . . 65 LYS HG2 . 6950 1 767 . 1 1 65 65 LYS HG3 H 1 1.694 0.020 . 1 . . . . 65 LYS HG3 . 6950 1 768 . 1 1 65 65 LYS HE2 H 1 3.422 0.020 . 1 . . . . 65 LYS HE2 . 6950 1 769 . 1 1 65 65 LYS HE3 H 1 3.422 0.020 . 1 . . . . 65 LYS HE3 . 6950 1 770 . 1 1 65 65 LYS C C 13 179.681 0.400 . 1 . . . . 65 LYS C . 6950 1 771 . 1 1 65 65 LYS CA C 13 59.162 0.400 . 1 . . . . 65 LYS CA . 6950 1 772 . 1 1 65 65 LYS CB C 13 31.368 0.400 . 1 . . . . 65 LYS CB . 6950 1 773 . 1 1 65 65 LYS CD C 13 29.330 0.400 . 1 . . . . 65 LYS CD . 6950 1 774 . 1 1 65 65 LYS CE C 13 42.150 0.400 . 1 . . . . 65 LYS CE . 6950 1 775 . 1 1 65 65 LYS N N 15 119.510 0.400 . 1 . . . . 65 LYS N . 6950 1 776 . 1 1 66 66 LEU H H 1 7.914 0.020 . 1 . . . . 66 LEU H . 6950 1 777 . 1 1 66 66 LEU HA H 1 4.167 0.020 . 1 . . . . 66 LEU HA . 6950 1 778 . 1 1 66 66 LEU HB2 H 1 1.985 0.020 . 2 . . . . 66 LEU HB2 . 6950 1 779 . 1 1 66 66 LEU HB3 H 1 1.217 0.020 . 2 . . . . 66 LEU HB3 . 6950 1 780 . 1 1 66 66 LEU HG H 1 1.426 0.020 . 1 . . . . 66 LEU HG . 6950 1 781 . 1 1 66 66 LEU HD11 H 1 0.603 0.020 . 2 . . . . 66 LEU HD1 . 6950 1 782 . 1 1 66 66 LEU HD12 H 1 0.603 0.020 . 2 . . . . 66 LEU HD1 . 6950 1 783 . 1 1 66 66 LEU HD13 H 1 0.603 0.020 . 2 . . . . 66 LEU HD1 . 6950 1 784 . 1 1 66 66 LEU HD21 H 1 0.829 0.020 . 2 . . . . 66 LEU HD2 . 6950 1 785 . 1 1 66 66 LEU HD22 H 1 0.829 0.020 . 2 . . . . 66 LEU HD2 . 6950 1 786 . 1 1 66 66 LEU HD23 H 1 0.829 0.020 . 2 . . . . 66 LEU HD2 . 6950 1 787 . 1 1 66 66 LEU C C 13 177.401 0.400 . 1 . . . . 66 LEU C . 6950 1 788 . 1 1 66 66 LEU CA C 13 57.966 0.400 . 1 . . . . 66 LEU CA . 6950 1 789 . 1 1 66 66 LEU CB C 13 41.451 0.400 . 1 . . . . 66 LEU CB . 6950 1 790 . 1 1 66 66 LEU CG C 13 26.993 0.400 . 1 . . . . 66 LEU CG . 6950 1 791 . 1 1 66 66 LEU CD1 C 13 25.835 0.400 . 1 . . . . 66 LEU CD1 . 6950 1 792 . 1 1 66 66 LEU CD2 C 13 24.240 0.400 . 1 . . . . 66 LEU CD2 . 6950 1 793 . 1 1 66 66 LEU N N 15 122.591 0.400 . 1 . . . . 66 LEU N . 6950 1 794 . 1 1 67 67 ARG H H 1 8.181 0.020 . 1 . . . . 67 ARG H . 6950 1 795 . 1 1 67 67 ARG HA H 1 3.979 0.020 . 1 . . . . 67 ARG HA . 6950 1 796 . 1 1 67 67 ARG HB2 H 1 1.740 0.020 . 1 . . . . 67 ARG HB2 . 6950 1 797 . 1 1 67 67 ARG HB3 H 1 1.740 0.020 . 1 . . . . 67 ARG HB3 . 6950 1 798 . 1 1 67 67 ARG HG2 H 1 1.470 0.020 . 1 . . . . 67 ARG HG2 . 6950 1 799 . 1 1 67 67 ARG HG3 H 1 1.470 0.020 . 1 . . . . 67 ARG HG3 . 6950 1 800 . 1 1 67 67 ARG HD2 H 1 3.049 0.020 . 1 . . . . 67 ARG HD2 . 6950 1 801 . 1 1 67 67 ARG HD3 H 1 3.049 0.020 . 1 . . . . 67 ARG HD3 . 6950 1 802 . 1 1 67 67 ARG C C 13 180.081 0.400 . 1 . . . . 67 ARG C . 6950 1 803 . 1 1 67 67 ARG CA C 13 58.448 0.400 . 1 . . . . 67 ARG CA . 6950 1 804 . 1 1 67 67 ARG CB C 13 28.748 0.400 . 1 . . . . 67 ARG CB . 6950 1 805 . 1 1 67 67 ARG CG C 13 29.500 0.400 . 1 . . . . 67 ARG CG . 6950 1 806 . 1 1 67 67 ARG CD C 13 43.280 0.400 . 1 . . . . 67 ARG CD . 6950 1 807 . 1 1 67 67 ARG N N 15 118.790 0.400 . 1 . . . . 67 ARG N . 6950 1 808 . 1 1 68 68 HIS H H 1 8.294 0.020 . 1 . . . . 68 HIS H . 6950 1 809 . 1 1 68 68 HIS HA H 1 4.091 0.020 . 1 . . . . 68 HIS HA . 6950 1 810 . 1 1 68 68 HIS HB2 H 1 3.164 0.020 . 1 . . . . 68 HIS HB2 . 6950 1 811 . 1 1 68 68 HIS HB3 H 1 3.164 0.020 . 1 . . . . 68 HIS HB3 . 6950 1 812 . 1 1 68 68 HIS C C 13 177.851 0.400 . 1 . . . . 68 HIS C . 6950 1 813 . 1 1 68 68 HIS CA C 13 59.389 0.400 . 1 . . . . 68 HIS CA . 6950 1 814 . 1 1 68 68 HIS CB C 13 30.110 0.400 . 1 . . . . 68 HIS CB . 6950 1 815 . 1 1 68 68 HIS N N 15 119.517 0.400 . 1 . . . . 68 HIS N . 6950 1 816 . 1 1 69 69 ALA H H 1 8.299 0.020 . 1 . . . . 69 ALA H . 6950 1 817 . 1 1 69 69 ALA HA H 1 3.960 0.020 . 1 . . . . 69 ALA HA . 6950 1 818 . 1 1 69 69 ALA HB1 H 1 1.478 0.020 . 1 . . . . 69 ALA HB . 6950 1 819 . 1 1 69 69 ALA HB2 H 1 1.478 0.020 . 1 . . . . 69 ALA HB . 6950 1 820 . 1 1 69 69 ALA HB3 H 1 1.478 0.020 . 1 . . . . 69 ALA HB . 6950 1 821 . 1 1 69 69 ALA C C 13 179.921 0.400 . 1 . . . . 69 ALA C . 6950 1 822 . 1 1 69 69 ALA CA C 13 55.137 0.400 . 1 . . . . 69 ALA CA . 6950 1 823 . 1 1 69 69 ALA CB C 13 17.489 0.400 . 1 . . . . 69 ALA CB . 6950 1 824 . 1 1 69 69 ALA N N 15 122.873 0.400 . 1 . . . . 69 ALA N . 6950 1 825 . 1 1 70 70 GLU H H 1 8.615 0.020 . 1 . . . . 70 GLU H . 6950 1 826 . 1 1 70 70 GLU HA H 1 3.838 0.020 . 1 . . . . 70 GLU HA . 6950 1 827 . 1 1 70 70 GLU HB2 H 1 2.141 0.020 . 2 . . . . 70 GLU HB2 . 6950 1 828 . 1 1 70 70 GLU HB3 H 1 1.923 0.020 . 2 . . . . 70 GLU HB3 . 6950 1 829 . 1 1 70 70 GLU HG2 H 1 2.090 0.020 . 2 . . . . 70 GLU HG2 . 6950 1 830 . 1 1 70 70 GLU HG3 H 1 2.486 0.020 . 2 . . . . 70 GLU HG3 . 6950 1 831 . 1 1 70 70 GLU C C 13 179.121 0.400 . 1 . . . . 70 GLU C . 6950 1 832 . 1 1 70 70 GLU CA C 13 58.845 0.400 . 1 . . . . 70 GLU CA . 6950 1 833 . 1 1 70 70 GLU CB C 13 29.638 0.400 . 1 . . . . 70 GLU CB . 6950 1 834 . 1 1 70 70 GLU CG C 13 37.382 0.400 . 1 . . . . 70 GLU CG . 6950 1 835 . 1 1 70 70 GLU N N 15 117.496 0.400 . 1 . . . . 70 GLU N . 6950 1 836 . 1 1 71 71 SER H H 1 7.860 0.020 . 1 . . . . 71 SER H . 6950 1 837 . 1 1 71 71 SER HA H 1 4.244 0.020 . 1 . . . . 71 SER HA . 6950 1 838 . 1 1 71 71 SER HB2 H 1 4.011 0.020 . 2 . . . . 71 SER HB2 . 6950 1 839 . 1 1 71 71 SER HB3 H 1 3.840 0.020 . 2 . . . . 71 SER HB3 . 6950 1 840 . 1 1 71 71 SER C C 13 175.771 0.400 . 1 . . . . 71 SER C . 6950 1 841 . 1 1 71 71 SER CA C 13 60.677 0.400 . 1 . . . . 71 SER CA . 6950 1 842 . 1 1 71 71 SER CB C 13 62.745 0.400 . 1 . . . . 71 SER CB . 6950 1 843 . 1 1 71 71 SER N N 15 115.625 0.400 . 1 . . . . 71 SER N . 6950 1 844 . 1 1 72 72 VAL H H 1 7.436 0.020 . 1 . . . . 72 VAL H . 6950 1 845 . 1 1 72 72 VAL HA H 1 4.156 0.020 . 1 . . . . 72 VAL HA . 6950 1 846 . 1 1 72 72 VAL HB H 1 2.181 0.020 . 1 . . . . 72 VAL HB . 6950 1 847 . 1 1 72 72 VAL HG11 H 1 0.824 0.020 . 2 . . . . 72 VAL HG1 . 6950 1 848 . 1 1 72 72 VAL HG12 H 1 0.824 0.020 . 2 . . . . 72 VAL HG1 . 6950 1 849 . 1 1 72 72 VAL HG13 H 1 0.824 0.020 . 2 . . . . 72 VAL HG1 . 6950 1 850 . 1 1 72 72 VAL HG21 H 1 0.780 0.020 . 2 . . . . 72 VAL HG2 . 6950 1 851 . 1 1 72 72 VAL HG22 H 1 0.780 0.020 . 2 . . . . 72 VAL HG2 . 6950 1 852 . 1 1 72 72 VAL HG23 H 1 0.780 0.020 . 2 . . . . 72 VAL HG2 . 6950 1 853 . 1 1 72 72 VAL C C 13 177.561 0.400 . 1 . . . . 72 VAL C . 6950 1 854 . 1 1 72 72 VAL CA C 13 62.464 0.400 . 1 . . . . 72 VAL CA . 6950 1 855 . 1 1 72 72 VAL CB C 13 31.998 0.400 . 1 . . . . 72 VAL CB . 6950 1 856 . 1 1 72 72 VAL CG1 C 13 21.119 0.400 . 1 . . . . 72 VAL CG1 . 6950 1 857 . 1 1 72 72 VAL CG2 C 13 20.168 0.400 . 1 . . . . 72 VAL CG2 . 6950 1 858 . 1 1 72 72 VAL N N 15 116.657 0.400 . 1 . . . . 72 VAL N . 6950 1 859 . 1 1 73 73 GLY H H 1 7.856 0.020 . 1 . . . . 73 GLY H . 6950 1 860 . 1 1 73 73 GLY HA2 H 1 3.953 0.020 . 2 . . . . 73 GLY HA2 . 6950 1 861 . 1 1 73 73 GLY HA3 H 1 3.765 0.020 . 2 . . . . 73 GLY HA3 . 6950 1 862 . 1 1 73 73 GLY C C 13 173.911 0.400 . 1 . . . . 73 GLY C . 6950 1 863 . 1 1 73 73 GLY CA C 13 45.935 0.400 . 1 . . . . 73 GLY CA . 6950 1 864 . 1 1 73 73 GLY N N 15 108.806 0.400 . 1 . . . . 73 GLY N . 6950 1 865 . 1 1 74 74 ASP H H 1 7.587 0.020 . 1 . . . . 74 ASP H . 6950 1 866 . 1 1 74 74 ASP HA H 1 4.651 0.020 . 1 . . . . 74 ASP HA . 6950 1 867 . 1 1 74 74 ASP HB2 H 1 2.589 0.020 . 2 . . . . 74 ASP HB2 . 6950 1 868 . 1 1 74 74 ASP HB3 H 1 2.792 0.020 . 2 . . . . 74 ASP HB3 . 6950 1 869 . 1 1 74 74 ASP C C 13 176.441 0.400 . 1 . . . . 74 ASP C . 6950 1 870 . 1 1 74 74 ASP CA C 13 53.229 0.400 . 1 . . . . 74 ASP CA . 6950 1 871 . 1 1 74 74 ASP CB C 13 38.829 0.400 . 1 . . . . 74 ASP CB . 6950 1 872 . 1 1 74 74 ASP N N 15 119.430 0.400 . 1 . . . . 74 ASP N . 6950 1 873 . 1 1 75 75 GLY H H 1 8.701 0.020 . 1 . . . . 75 GLY H . 6950 1 874 . 1 1 75 75 GLY HA2 H 1 3.993 0.020 . 2 . . . . 75 GLY HA2 . 6950 1 875 . 1 1 75 75 GLY HA3 H 1 3.724 0.020 . 2 . . . . 75 GLY HA3 . 6950 1 876 . 1 1 75 75 GLY C C 13 176.301 0.400 . 1 . . . . 75 GLY C . 6950 1 877 . 1 1 75 75 GLY CA C 13 47.339 0.400 . 1 . . . . 75 GLY CA . 6950 1 878 . 1 1 75 75 GLY N N 15 113.137 0.400 . 1 . . . . 75 GLY N . 6950 1 879 . 1 1 76 76 GLU H H 1 8.442 0.020 . 1 . . . . 76 GLU H . 6950 1 880 . 1 1 76 76 GLU HA H 1 4.179 0.020 . 1 . . . . 76 GLU HA . 6950 1 881 . 1 1 76 76 GLU HB2 H 1 2.160 0.020 . 1 . . . . 76 GLU HB2 . 6950 1 882 . 1 1 76 76 GLU HB3 H 1 2.160 0.020 . 1 . . . . 76 GLU HB3 . 6950 1 883 . 1 1 76 76 GLU HG2 H 1 2.516 0.020 . 2 . . . . 76 GLU HG2 . 6950 1 884 . 1 1 76 76 GLU HG3 H 1 2.360 0.020 . 2 . . . . 76 GLU HG3 . 6950 1 885 . 1 1 76 76 GLU C C 13 178.551 0.400 . 1 . . . . 76 GLU C . 6950 1 886 . 1 1 76 76 GLU CA C 13 58.815 0.400 . 1 . . . . 76 GLU CA . 6950 1 887 . 1 1 76 76 GLU CB C 13 29.471 0.400 . 1 . . . . 76 GLU CB . 6950 1 888 . 1 1 76 76 GLU CG C 13 36.009 0.400 . 1 . . . . 76 GLU CG . 6950 1 889 . 1 1 76 76 GLU N N 15 122.458 0.400 . 1 . . . . 76 GLU N . 6950 1 890 . 1 1 77 77 ARG H H 1 7.816 0.020 . 1 . . . . 77 ARG H . 6950 1 891 . 1 1 77 77 ARG HA H 1 4.081 0.020 . 1 . . . . 77 ARG HA . 6950 1 892 . 1 1 77 77 ARG HB2 H 1 1.830 0.020 . 1 . . . . 77 ARG HB2 . 6950 1 893 . 1 1 77 77 ARG HB3 H 1 1.830 0.020 . 1 . . . . 77 ARG HB3 . 6950 1 894 . 1 1 77 77 ARG HD2 H 1 3.186 0.020 . 2 . . . . 77 ARG HD2 . 6950 1 895 . 1 1 77 77 ARG HD3 H 1 2.807 0.020 . 2 . . . . 77 ARG HD3 . 6950 1 896 . 1 1 77 77 ARG C C 13 180.201 0.400 . 1 . . . . 77 ARG C . 6950 1 897 . 1 1 77 77 ARG CA C 13 58.530 0.400 . 1 . . . . 77 ARG CA . 6950 1 898 . 1 1 77 77 ARG CB C 13 30.471 0.400 . 1 . . . . 77 ARG CB . 6950 1 899 . 1 1 77 77 ARG N N 15 119.893 0.400 . 1 . . . . 77 ARG N . 6950 1 900 . 1 1 78 78 VAL H H 1 8.542 0.020 . 1 . . . . 78 VAL H . 6950 1 901 . 1 1 78 78 VAL HA H 1 3.416 0.020 . 1 . . . . 78 VAL HA . 6950 1 902 . 1 1 78 78 VAL HB H 1 2.137 0.020 . 1 . . . . 78 VAL HB . 6950 1 903 . 1 1 78 78 VAL HG11 H 1 0.859 0.020 . 2 . . . . 78 VAL HG1 . 6950 1 904 . 1 1 78 78 VAL HG12 H 1 0.859 0.020 . 2 . . . . 78 VAL HG1 . 6950 1 905 . 1 1 78 78 VAL HG13 H 1 0.859 0.020 . 2 . . . . 78 VAL HG1 . 6950 1 906 . 1 1 78 78 VAL HG21 H 1 0.880 0.020 . 2 . . . . 78 VAL HG2 . 6950 1 907 . 1 1 78 78 VAL HG22 H 1 0.880 0.020 . 2 . . . . 78 VAL HG2 . 6950 1 908 . 1 1 78 78 VAL HG23 H 1 0.880 0.020 . 2 . . . . 78 VAL HG2 . 6950 1 909 . 1 1 78 78 VAL C C 13 177.191 0.400 . 1 . . . . 78 VAL C . 6950 1 910 . 1 1 78 78 VAL CA C 13 67.032 0.400 . 1 . . . . 78 VAL CA . 6950 1 911 . 1 1 78 78 VAL CB C 13 31.781 0.400 . 1 . . . . 78 VAL CB . 6950 1 912 . 1 1 78 78 VAL CG1 C 13 23.461 0.400 . 1 . . . . 78 VAL CG1 . 6950 1 913 . 1 1 78 78 VAL CG2 C 13 21.351 0.400 . 1 . . . . 78 VAL CG2 . 6950 1 914 . 1 1 78 78 VAL N N 15 122.145 0.400 . 1 . . . . 78 VAL N . 6950 1 915 . 1 1 79 79 SER H H 1 8.130 0.020 . 1 . . . . 79 SER H . 6950 1 916 . 1 1 79 79 SER HA H 1 3.745 0.020 . 1 . . . . 79 SER HA . 6950 1 917 . 1 1 79 79 SER HB2 H 1 4.008 0.020 . 1 . . . . 79 SER HB2 . 6950 1 918 . 1 1 79 79 SER HB3 H 1 4.008 0.020 . 1 . . . . 79 SER HB3 . 6950 1 919 . 1 1 79 79 SER C C 13 177.381 0.400 . 1 . . . . 79 SER C . 6950 1 920 . 1 1 79 79 SER CA C 13 61.868 0.400 . 1 . . . . 79 SER CA . 6950 1 921 . 1 1 79 79 SER CB C 13 67.441 0.400 . 1 . . . . 79 SER CB . 6950 1 922 . 1 1 79 79 SER N N 15 115.396 0.400 . 1 . . . . 79 SER N . 6950 1 923 . 1 1 80 80 ARG H H 1 8.071 0.020 . 1 . . . . 80 ARG H . 6950 1 924 . 1 1 80 80 ARG HA H 1 4.271 0.020 . 1 . . . . 80 ARG HA . 6950 1 925 . 1 1 80 80 ARG HB2 H 1 1.790 0.020 . 1 . . . . 80 ARG HB2 . 6950 1 926 . 1 1 80 80 ARG HB3 H 1 1.790 0.020 . 1 . . . . 80 ARG HB3 . 6950 1 927 . 1 1 80 80 ARG HG2 H 1 1.950 0.020 . 1 . . . . 80 ARG HG2 . 6950 1 928 . 1 1 80 80 ARG HG3 H 1 1.950 0.020 . 1 . . . . 80 ARG HG3 . 6950 1 929 . 1 1 80 80 ARG C C 13 179.481 0.400 . 1 . . . . 80 ARG C . 6950 1 930 . 1 1 80 80 ARG CA C 13 58.667 0.400 . 1 . . . . 80 ARG CA . 6950 1 931 . 1 1 80 80 ARG CB C 13 30.631 0.400 . 1 . . . . 80 ARG CB . 6950 1 932 . 1 1 80 80 ARG CD C 13 43.400 0.400 . 1 . . . . 80 ARG CD . 6950 1 933 . 1 1 80 80 ARG N N 15 120.548 0.400 . 1 . . . . 80 ARG N . 6950 1 934 . 1 1 81 81 SER H H 1 8.277 0.020 . 1 . . . . 81 SER H . 6950 1 935 . 1 1 81 81 SER HA H 1 4.296 0.020 . 1 . . . . 81 SER HA . 6950 1 936 . 1 1 81 81 SER HB2 H 1 4.033 0.020 . 1 . . . . 81 SER HB2 . 6950 1 937 . 1 1 81 81 SER HB3 H 1 4.033 0.020 . 1 . . . . 81 SER HB3 . 6950 1 938 . 1 1 81 81 SER C C 13 177.351 0.400 . 1 . . . . 81 SER C . 6950 1 939 . 1 1 81 81 SER CA C 13 62.076 0.400 . 1 . . . . 81 SER CA . 6950 1 940 . 1 1 81 81 SER CB C 13 62.947 0.400 . 1 . . . . 81 SER CB . 6950 1 941 . 1 1 81 81 SER N N 15 116.242 0.400 . 1 . . . . 81 SER N . 6950 1 942 . 1 1 82 82 ARG H H 1 9.112 0.020 . 1 . . . . 82 ARG H . 6950 1 943 . 1 1 82 82 ARG HA H 1 4.043 0.020 . 1 . . . . 82 ARG HA . 6950 1 944 . 1 1 82 82 ARG HB2 H 1 1.973 0.020 . 1 . . . . 82 ARG HB2 . 6950 1 945 . 1 1 82 82 ARG HB3 H 1 1.973 0.020 . 1 . . . . 82 ARG HB3 . 6950 1 946 . 1 1 82 82 ARG HG2 H 1 1.730 0.020 . 1 . . . . 82 ARG HG2 . 6950 1 947 . 1 1 82 82 ARG HG3 H 1 1.730 0.020 . 1 . . . . 82 ARG HG3 . 6950 1 948 . 1 1 82 82 ARG HD2 H 1 3.198 0.020 . 1 . . . . 82 ARG HD2 . 6950 1 949 . 1 1 82 82 ARG HD3 H 1 3.198 0.020 . 1 . . . . 82 ARG HD3 . 6950 1 950 . 1 1 82 82 ARG C C 13 178.581 0.400 . 1 . . . . 82 ARG C . 6950 1 951 . 1 1 82 82 ARG CA C 13 59.868 0.400 . 1 . . . . 82 ARG CA . 6950 1 952 . 1 1 82 82 ARG CB C 13 30.071 0.400 . 1 . . . . 82 ARG CB . 6950 1 953 . 1 1 82 82 ARG CG C 13 28.100 0.400 . 1 . . . . 82 ARG CG . 6950 1 954 . 1 1 82 82 ARG N N 15 125.629 0.400 . 1 . . . . 82 ARG N . 6950 1 955 . 1 1 83 83 GLU H H 1 7.912 0.020 . 1 . . . . 83 GLU H . 6950 1 956 . 1 1 83 83 GLU HA H 1 4.181 0.020 . 1 . . . . 83 GLU HA . 6950 1 957 . 1 1 83 83 GLU HB2 H 1 2.120 0.020 . 2 . . . . 83 GLU HB2 . 6950 1 958 . 1 1 83 83 GLU HB3 H 1 2.230 0.020 . 2 . . . . 83 GLU HB3 . 6950 1 959 . 1 1 83 83 GLU HG2 H 1 2.170 0.020 . 1 . . . . 83 GLU HG2 . 6950 1 960 . 1 1 83 83 GLU HG3 H 1 2.170 0.020 . 1 . . . . 83 GLU HG3 . 6950 1 961 . 1 1 83 83 GLU C C 13 179.041 0.400 . 1 . . . . 83 GLU C . 6950 1 962 . 1 1 83 83 GLU CA C 13 58.992 0.400 . 1 . . . . 83 GLU CA . 6950 1 963 . 1 1 83 83 GLU CB C 13 28.857 0.400 . 1 . . . . 83 GLU CB . 6950 1 964 . 1 1 83 83 GLU CG C 13 36.140 0.400 . 1 . . . . 83 GLU CG . 6950 1 965 . 1 1 83 83 GLU N N 15 120.444 0.400 . 1 . . . . 83 GLU N . 6950 1 966 . 1 1 84 84 LYS H H 1 7.861 0.020 . 1 . . . . 84 LYS H . 6950 1 967 . 1 1 84 84 LYS HA H 1 4.147 0.020 . 1 . . . . 84 LYS HA . 6950 1 968 . 1 1 84 84 LYS HB2 H 1 1.943 0.020 . 1 . . . . 84 LYS HB2 . 6950 1 969 . 1 1 84 84 LYS HB3 H 1 1.943 0.020 . 1 . . . . 84 LYS HB3 . 6950 1 970 . 1 1 84 84 LYS HG2 H 1 1.730 0.020 . 1 . . . . 84 LYS HG2 . 6950 1 971 . 1 1 84 84 LYS HG3 H 1 1.730 0.020 . 1 . . . . 84 LYS HG3 . 6950 1 972 . 1 1 84 84 LYS HD2 H 1 1.570 0.020 . 1 . . . . 84 LYS HD2 . 6950 1 973 . 1 1 84 84 LYS HD3 H 1 1.570 0.020 . 1 . . . . 84 LYS HD3 . 6950 1 974 . 1 1 84 84 LYS HE2 H 1 3.245 0.020 . 1 . . . . 84 LYS HE2 . 6950 1 975 . 1 1 84 84 LYS HE3 H 1 3.245 0.020 . 1 . . . . 84 LYS HE3 . 6950 1 976 . 1 1 84 84 LYS C C 13 178.821 0.400 . 1 . . . . 84 LYS C . 6950 1 977 . 1 1 84 84 LYS CA C 13 59.136 0.400 . 1 . . . . 84 LYS CA . 6950 1 978 . 1 1 84 84 LYS CB C 13 31.423 0.400 . 1 . . . . 84 LYS CB . 6950 1 979 . 1 1 84 84 LYS CG C 13 25.230 0.400 . 1 . . . . 84 LYS CG . 6950 1 980 . 1 1 84 84 LYS CD C 13 29.150 0.400 . 1 . . . . 84 LYS CD . 6950 1 981 . 1 1 84 84 LYS CE C 13 42.020 0.400 . 1 . . . . 84 LYS CE . 6950 1 982 . 1 1 84 84 LYS N N 15 119.255 0.400 . 1 . . . . 84 LYS N . 6950 1 983 . 1 1 85 85 HIS H H 1 8.150 0.020 . 1 . . . . 85 HIS H . 6950 1 984 . 1 1 85 85 HIS HA H 1 3.907 0.020 . 1 . . . . 85 HIS HA . 6950 1 985 . 1 1 85 85 HIS HB2 H 1 3.247 0.020 . 2 . . . . 85 HIS HB2 . 6950 1 986 . 1 1 85 85 HIS HB3 H 1 3.063 0.020 . 2 . . . . 85 HIS HB3 . 6950 1 987 . 1 1 85 85 HIS HD2 H 1 6.808 0.020 . 1 . . . . 85 HIS HD2 . 6950 1 988 . 1 1 85 85 HIS C C 13 175.841 0.400 . 1 . . . . 85 HIS C . 6950 1 989 . 1 1 85 85 HIS CA C 13 61.292 0.400 . 1 . . . . 85 HIS CA . 6950 1 990 . 1 1 85 85 HIS CB C 13 30.773 0.400 . 1 . . . . 85 HIS CB . 6950 1 991 . 1 1 85 85 HIS N N 15 118.616 0.400 . 1 . . . . 85 HIS N . 6950 1 992 . 1 1 86 86 ALA H H 1 8.400 0.020 . 1 . . . . 86 ALA H . 6950 1 993 . 1 1 86 86 ALA HA H 1 4.104 0.020 . 1 . . . . 86 ALA HA . 6950 1 994 . 1 1 86 86 ALA HB1 H 1 1.544 0.020 . 1 . . . . 86 ALA HB . 6950 1 995 . 1 1 86 86 ALA HB2 H 1 1.544 0.020 . 1 . . . . 86 ALA HB . 6950 1 996 . 1 1 86 86 ALA HB3 H 1 1.544 0.020 . 1 . . . . 86 ALA HB . 6950 1 997 . 1 1 86 86 ALA C C 13 181.531 0.400 . 1 . . . . 86 ALA C . 6950 1 998 . 1 1 86 86 ALA CA C 13 54.930 0.400 . 1 . . . . 86 ALA CA . 6950 1 999 . 1 1 86 86 ALA CB C 13 18.043 0.400 . 1 . . . . 86 ALA CB . 6950 1 1000 . 1 1 86 86 ALA N N 15 121.135 0.400 . 1 . . . . 86 ALA N . 6950 1 1001 . 1 1 87 87 LEU H H 1 7.920 0.020 . 1 . . . . 87 LEU H . 6950 1 1002 . 1 1 87 87 LEU HA H 1 4.151 0.020 . 1 . . . . 87 LEU HA . 6950 1 1003 . 1 1 87 87 LEU HB2 H 1 1.840 0.020 . 2 . . . . 87 LEU HB2 . 6950 1 1004 . 1 1 87 87 LEU HB3 H 1 1.742 0.020 . 2 . . . . 87 LEU HB3 . 6950 1 1005 . 1 1 87 87 LEU HG H 1 1.700 0.020 . 1 . . . . 87 LEU HG . 6950 1 1006 . 1 1 87 87 LEU HD11 H 1 0.907 0.020 . 2 . . . . 87 LEU HD1 . 6950 1 1007 . 1 1 87 87 LEU HD12 H 1 0.907 0.020 . 2 . . . . 87 LEU HD1 . 6950 1 1008 . 1 1 87 87 LEU HD13 H 1 0.907 0.020 . 2 . . . . 87 LEU HD1 . 6950 1 1009 . 1 1 87 87 LEU HD21 H 1 0.934 0.020 . 2 . . . . 87 LEU HD2 . 6950 1 1010 . 1 1 87 87 LEU HD22 H 1 0.934 0.020 . 2 . . . . 87 LEU HD2 . 6950 1 1011 . 1 1 87 87 LEU HD23 H 1 0.934 0.020 . 2 . . . . 87 LEU HD2 . 6950 1 1012 . 1 1 87 87 LEU C C 13 180.301 0.400 . 1 . . . . 87 LEU C . 6950 1 1013 . 1 1 87 87 LEU CA C 13 57.737 0.400 . 1 . . . . 87 LEU CA . 6950 1 1014 . 1 1 87 87 LEU CB C 13 41.916 0.400 . 1 . . . . 87 LEU CB . 6950 1 1015 . 1 1 87 87 LEU CG C 13 24.679 0.400 . 1 . . . . 87 LEU CG . 6950 1 1016 . 1 1 87 87 LEU CD1 C 13 23.983 0.400 . 1 . . . . 87 LEU CD1 . 6950 1 1017 . 1 1 87 87 LEU CD2 C 13 24.682 0.400 . 1 . . . . 87 LEU CD2 . 6950 1 1018 . 1 1 87 87 LEU N N 15 120.248 0.400 . 1 . . . . 87 LEU N . 6950 1 1019 . 1 1 88 88 LEU H H 1 7.844 0.020 . 1 . . . . 88 LEU H . 6950 1 1020 . 1 1 88 88 LEU HA H 1 4.021 0.020 . 1 . . . . 88 LEU HA . 6950 1 1021 . 1 1 88 88 LEU HB2 H 1 1.843 0.020 . 2 . . . . 88 LEU HB2 . 6950 1 1022 . 1 1 88 88 LEU HB3 H 1 1.289 0.020 . 2 . . . . 88 LEU HB3 . 6950 1 1023 . 1 1 88 88 LEU HG H 1 1.714 0.020 . 1 . . . . 88 LEU HG . 6950 1 1024 . 1 1 88 88 LEU HD11 H 1 0.866 0.020 . 2 . . . . 88 LEU HD1 . 6950 1 1025 . 1 1 88 88 LEU HD12 H 1 0.866 0.020 . 2 . . . . 88 LEU HD1 . 6950 1 1026 . 1 1 88 88 LEU HD13 H 1 0.866 0.020 . 2 . . . . 88 LEU HD1 . 6950 1 1027 . 1 1 88 88 LEU HD21 H 1 0.824 0.020 . 2 . . . . 88 LEU HD2 . 6950 1 1028 . 1 1 88 88 LEU HD22 H 1 0.824 0.020 . 2 . . . . 88 LEU HD2 . 6950 1 1029 . 1 1 88 88 LEU HD23 H 1 0.824 0.020 . 2 . . . . 88 LEU HD2 . 6950 1 1030 . 1 1 88 88 LEU C C 13 179.851 0.400 . 1 . . . . 88 LEU C . 6950 1 1031 . 1 1 88 88 LEU CA C 13 57.490 0.400 . 1 . . . . 88 LEU CA . 6950 1 1032 . 1 1 88 88 LEU CB C 13 42.616 0.400 . 1 . . . . 88 LEU CB . 6950 1 1033 . 1 1 88 88 LEU CG C 13 27.494 0.400 . 1 . . . . 88 LEU CG . 6950 1 1034 . 1 1 88 88 LEU CD1 C 13 23.714 0.400 . 1 . . . . 88 LEU CD1 . 6950 1 1035 . 1 1 88 88 LEU CD2 C 13 23.482 0.400 . 1 . . . . 88 LEU CD2 . 6950 1 1036 . 1 1 88 88 LEU N N 15 120.564 0.400 . 1 . . . . 88 LEU N . 6950 1 1037 . 1 1 89 89 GLU H H 1 9.192 0.020 . 1 . . . . 89 GLU H . 6950 1 1038 . 1 1 89 89 GLU HA H 1 3.751 0.020 . 1 . . . . 89 GLU HA . 6950 1 1039 . 1 1 89 89 GLU HB2 H 1 1.746 0.020 . 2 . . . . 89 GLU HB2 . 6950 1 1040 . 1 1 89 89 GLU HB3 H 1 1.995 0.020 . 2 . . . . 89 GLU HB3 . 6950 1 1041 . 1 1 89 89 GLU HG2 H 1 2.050 0.020 . 2 . . . . 89 GLU HG2 . 6950 1 1042 . 1 1 89 89 GLU HG3 H 1 2.092 0.020 . 2 . . . . 89 GLU HG3 . 6950 1 1043 . 1 1 89 89 GLU C C 13 178.961 0.400 . 1 . . . . 89 GLU C . 6950 1 1044 . 1 1 89 89 GLU CA C 13 60.100 0.400 . 1 . . . . 89 GLU CA . 6950 1 1045 . 1 1 89 89 GLU CB C 13 29.151 0.400 . 1 . . . . 89 GLU CB . 6950 1 1046 . 1 1 89 89 GLU CG C 13 36.692 0.400 . 1 . . . . 89 GLU CG . 6950 1 1047 . 1 1 89 89 GLU N N 15 125.739 0.400 . 1 . . . . 89 GLU N . 6950 1 1048 . 1 1 90 90 GLY H H 1 7.922 0.020 . 1 . . . . 90 GLY H . 6950 1 1049 . 1 1 90 90 GLY HA2 H 1 4.034 0.020 . 2 . . . . 90 GLY HA2 . 6950 1 1050 . 1 1 90 90 GLY HA3 H 1 3.845 0.020 . 2 . . . . 90 GLY HA3 . 6950 1 1051 . 1 1 90 90 GLY C C 13 176.671 0.400 . 1 . . . . 90 GLY C . 6950 1 1052 . 1 1 90 90 GLY CA C 13 47.339 0.400 . 1 . . . . 90 GLY CA . 6950 1 1053 . 1 1 90 90 GLY N N 15 105.879 0.400 . 1 . . . . 90 GLY N . 6950 1 1054 . 1 1 91 91 ARG H H 1 7.818 0.020 . 1 . . . . 91 ARG H . 6950 1 1055 . 1 1 91 91 ARG HA H 1 4.137 0.020 . 1 . . . . 91 ARG HA . 6950 1 1056 . 1 1 91 91 ARG HB2 H 1 1.756 0.020 . 1 . . . . 91 ARG HB2 . 6950 1 1057 . 1 1 91 91 ARG HB3 H 1 1.756 0.020 . 1 . . . . 91 ARG HB3 . 6950 1 1058 . 1 1 91 91 ARG HD2 H 1 2.996 0.020 . 1 . . . . 91 ARG HD2 . 6950 1 1059 . 1 1 91 91 ARG HD3 H 1 2.996 0.020 . 1 . . . . 91 ARG HD3 . 6950 1 1060 . 1 1 91 91 ARG C C 13 178.941 0.400 . 1 . . . . 91 ARG C . 6950 1 1061 . 1 1 91 91 ARG CA C 13 58.082 0.400 . 1 . . . . 91 ARG CA . 6950 1 1062 . 1 1 91 91 ARG CB C 13 29.130 0.400 . 1 . . . . 91 ARG CB . 6950 1 1063 . 1 1 91 91 ARG CG C 13 26.810 0.400 . 1 . . . . 91 ARG CG . 6950 1 1064 . 1 1 91 91 ARG CD C 13 43.010 0.400 . 1 . . . . 91 ARG CD . 6950 1 1065 . 1 1 91 91 ARG N N 15 121.333 0.400 . 1 . . . . 91 ARG N . 6950 1 1066 . 1 1 92 92 THR H H 1 8.456 0.020 . 1 . . . . 92 THR H . 6950 1 1067 . 1 1 92 92 THR HA H 1 3.790 0.020 . 1 . . . . 92 THR HA . 6950 1 1068 . 1 1 92 92 THR HB H 1 4.217 0.020 . 1 . . . . 92 THR HB . 6950 1 1069 . 1 1 92 92 THR HG21 H 1 1.234 0.020 . 1 . . . . 92 THR HG2 . 6950 1 1070 . 1 1 92 92 THR HG22 H 1 1.234 0.020 . 1 . . . . 92 THR HG2 . 6950 1 1071 . 1 1 92 92 THR HG23 H 1 1.234 0.020 . 1 . . . . 92 THR HG2 . 6950 1 1072 . 1 1 92 92 THR C C 13 176.741 0.400 . 1 . . . . 92 THR C . 6950 1 1073 . 1 1 92 92 THR CA C 13 68.153 0.400 . 1 . . . . 92 THR CA . 6950 1 1074 . 1 1 92 92 THR CB C 13 67.924 0.400 . 1 . . . . 92 THR CB . 6950 1 1075 . 1 1 92 92 THR CG2 C 13 21.838 0.400 . 1 . . . . 92 THR CG2 . 6950 1 1076 . 1 1 92 92 THR N N 15 116.851 0.400 . 1 . . . . 92 THR N . 6950 1 1077 . 1 1 93 93 LYS H H 1 8.111 0.020 . 1 . . . . 93 LYS H . 6950 1 1078 . 1 1 93 93 LYS HA H 1 3.990 0.020 . 1 . . . . 93 LYS HA . 6950 1 1079 . 1 1 93 93 LYS HB2 H 1 1.577 0.020 . 1 . . . . 93 LYS HB2 . 6950 1 1080 . 1 1 93 93 LYS HB3 H 1 1.577 0.020 . 1 . . . . 93 LYS HB3 . 6950 1 1081 . 1 1 93 93 LYS HE2 H 1 3.198 0.020 . 1 . . . . 93 LYS HE2 . 6950 1 1082 . 1 1 93 93 LYS HE3 H 1 3.198 0.020 . 1 . . . . 93 LYS HE3 . 6950 1 1083 . 1 1 93 93 LYS C C 13 179.421 0.400 . 1 . . . . 93 LYS C . 6950 1 1084 . 1 1 93 93 LYS CA C 13 59.181 0.400 . 1 . . . . 93 LYS CA . 6950 1 1085 . 1 1 93 93 LYS CB C 13 31.205 0.400 . 1 . . . . 93 LYS CB . 6950 1 1086 . 1 1 93 93 LYS CG C 13 25.520 0.400 . 1 . . . . 93 LYS CG . 6950 1 1087 . 1 1 93 93 LYS CD C 13 29.480 0.400 . 1 . . . . 93 LYS CD . 6950 1 1088 . 1 1 93 93 LYS CE C 13 42.110 0.400 . 1 . . . . 93 LYS CE . 6950 1 1089 . 1 1 93 93 LYS N N 15 122.022 0.400 . 1 . . . . 93 LYS N . 6950 1 1090 . 1 1 94 94 GLU H H 1 7.881 0.020 . 1 . . . . 94 GLU H . 6950 1 1091 . 1 1 94 94 GLU HA H 1 4.137 0.020 . 1 . . . . 94 GLU HA . 6950 1 1092 . 1 1 94 94 GLU HB2 H 1 2.050 0.020 . 1 . . . . 94 GLU HB2 . 6950 1 1093 . 1 1 94 94 GLU HB3 H 1 2.050 0.020 . 1 . . . . 94 GLU HB3 . 6950 1 1094 . 1 1 94 94 GLU HG2 H 1 2.200 0.020 . 1 . . . . 94 GLU HG2 . 6950 1 1095 . 1 1 94 94 GLU HG3 H 1 2.200 0.020 . 1 . . . . 94 GLU HG3 . 6950 1 1096 . 1 1 94 94 GLU C C 13 179.591 0.400 . 1 . . . . 94 GLU C . 6950 1 1097 . 1 1 94 94 GLU CA C 13 59.079 0.400 . 1 . . . . 94 GLU CA . 6950 1 1098 . 1 1 94 94 GLU CB C 13 28.693 0.400 . 1 . . . . 94 GLU CB . 6950 1 1099 . 1 1 94 94 GLU CG C 13 36.170 0.400 . 1 . . . . 94 GLU CG . 6950 1 1100 . 1 1 94 94 GLU N N 15 119.647 0.400 . 1 . . . . 94 GLU N . 6950 1 1101 . 1 1 95 95 LEU H H 1 8.135 0.020 . 1 . . . . 95 LEU H . 6950 1 1102 . 1 1 95 95 LEU HA H 1 4.194 0.020 . 1 . . . . 95 LEU HA . 6950 1 1103 . 1 1 95 95 LEU HB2 H 1 2.044 0.020 . 2 . . . . 95 LEU HB2 . 6950 1 1104 . 1 1 95 95 LEU HB3 H 1 1.558 0.020 . 2 . . . . 95 LEU HB3 . 6950 1 1105 . 1 1 95 95 LEU HG H 1 1.708 0.020 . 1 . . . . 95 LEU HG . 6950 1 1106 . 1 1 95 95 LEU HD11 H 1 0.783 0.020 . 2 . . . . 95 LEU HD1 . 6950 1 1107 . 1 1 95 95 LEU HD12 H 1 0.783 0.020 . 2 . . . . 95 LEU HD1 . 6950 1 1108 . 1 1 95 95 LEU HD13 H 1 0.783 0.020 . 2 . . . . 95 LEU HD1 . 6950 1 1109 . 1 1 95 95 LEU HD21 H 1 0.909 0.020 . 2 . . . . 95 LEU HD2 . 6950 1 1110 . 1 1 95 95 LEU HD22 H 1 0.909 0.020 . 2 . . . . 95 LEU HD2 . 6950 1 1111 . 1 1 95 95 LEU HD23 H 1 0.909 0.020 . 2 . . . . 95 LEU HD2 . 6950 1 1112 . 1 1 95 95 LEU C C 13 179.031 0.400 . 1 . . . . 95 LEU C . 6950 1 1113 . 1 1 95 95 LEU CA C 13 57.281 0.400 . 1 . . . . 95 LEU CA . 6950 1 1114 . 1 1 95 95 LEU CB C 13 41.451 0.400 . 1 . . . . 95 LEU CB . 6950 1 1115 . 1 1 95 95 LEU CG C 13 27.725 0.400 . 1 . . . . 95 LEU CG . 6950 1 1116 . 1 1 95 95 LEU CD1 C 13 25.611 0.400 . 1 . . . . 95 LEU CD1 . 6950 1 1117 . 1 1 95 95 LEU CD2 C 13 24.178 0.400 . 1 . . . . 95 LEU CD2 . 6950 1 1118 . 1 1 95 95 LEU N N 15 121.174 0.400 . 1 . . . . 95 LEU N . 6950 1 1119 . 1 1 96 96 GLY H H 1 8.514 0.020 . 1 . . . . 96 GLY H . 6950 1 1120 . 1 1 96 96 GLY HA2 H 1 3.680 0.020 . 2 . . . . 96 GLY HA2 . 6950 1 1121 . 1 1 96 96 GLY HA3 H 1 2.788 0.020 . 2 . . . . 96 GLY HA3 . 6950 1 1122 . 1 1 96 96 GLY C C 13 176.701 0.400 . 1 . . . . 96 GLY C . 6950 1 1123 . 1 1 96 96 GLY CA C 13 46.883 0.400 . 1 . . . . 96 GLY CA . 6950 1 1124 . 1 1 96 96 GLY N N 15 108.917 0.400 . 1 . . . . 96 GLY N . 6950 1 1125 . 1 1 97 97 TYR H H 1 8.016 0.020 . 1 . . . . 97 TYR H . 6950 1 1126 . 1 1 97 97 TYR HA H 1 4.386 0.020 . 1 . . . . 97 TYR HA . 6950 1 1127 . 1 1 97 97 TYR HB2 H 1 3.224 0.020 . 1 . . . . 97 TYR HB2 . 6950 1 1128 . 1 1 97 97 TYR HB3 H 1 3.224 0.020 . 1 . . . . 97 TYR HB3 . 6950 1 1129 . 1 1 97 97 TYR HD1 H 1 7.193 0.020 . 1 . . . . 97 TYR HD1 . 6950 1 1130 . 1 1 97 97 TYR HD2 H 1 7.193 0.020 . 1 . . . . 97 TYR HD2 . 6950 1 1131 . 1 1 97 97 TYR HE1 H 1 6.818 0.020 . 1 . . . . 97 TYR HE1 . 6950 1 1132 . 1 1 97 97 TYR HE2 H 1 6.818 0.020 . 1 . . . . 97 TYR HE2 . 6950 1 1133 . 1 1 97 97 TYR C C 13 178.131 0.400 . 1 . . . . 97 TYR C . 6950 1 1134 . 1 1 97 97 TYR CA C 13 60.335 0.400 . 1 . . . . 97 TYR CA . 6950 1 1135 . 1 1 97 97 TYR CB C 13 37.183 0.400 . 1 . . . . 97 TYR CB . 6950 1 1136 . 1 1 97 97 TYR CD1 C 13 133.201 0.400 . 1 . . . . 97 TYR CD1 . 6950 1 1137 . 1 1 97 97 TYR N N 15 123.188 0.400 . 1 . . . . 97 TYR N . 6950 1 1138 . 1 1 98 98 THR H H 1 8.149 0.020 . 1 . . . . 98 THR H . 6950 1 1139 . 1 1 98 98 THR HA H 1 4.439 0.020 . 1 . . . . 98 THR HA . 6950 1 1140 . 1 1 98 98 THR HB H 1 3.897 0.020 . 1 . . . . 98 THR HB . 6950 1 1141 . 1 1 98 98 THR HG21 H 1 1.297 0.020 . 1 . . . . 98 THR HG2 . 6950 1 1142 . 1 1 98 98 THR HG22 H 1 1.297 0.020 . 1 . . . . 98 THR HG2 . 6950 1 1143 . 1 1 98 98 THR HG23 H 1 1.297 0.020 . 1 . . . . 98 THR HG2 . 6950 1 1144 . 1 1 98 98 THR C C 13 176.751 0.400 . 1 . . . . 98 THR C . 6950 1 1145 . 1 1 98 98 THR CA C 13 68.378 0.400 . 1 . . . . 98 THR CA . 6950 1 1146 . 1 1 98 98 THR CB C 13 66.470 0.400 . 1 . . . . 98 THR CB . 6950 1 1147 . 1 1 98 98 THR CG2 C 13 22.053 0.400 . 1 . . . . 98 THR CG2 . 6950 1 1148 . 1 1 98 98 THR N N 15 117.464 0.400 . 1 . . . . 98 THR N . 6950 1 1149 . 1 1 99 99 VAL H H 1 8.360 0.020 . 1 . . . . 99 VAL H . 6950 1 1150 . 1 1 99 99 VAL HA H 1 3.688 0.020 . 1 . . . . 99 VAL HA . 6950 1 1151 . 1 1 99 99 VAL HB H 1 2.090 0.020 . 1 . . . . 99 VAL HB . 6950 1 1152 . 1 1 99 99 VAL HG11 H 1 0.970 0.020 . 2 . . . . 99 VAL HG1 . 6950 1 1153 . 1 1 99 99 VAL HG12 H 1 0.970 0.020 . 2 . . . . 99 VAL HG1 . 6950 1 1154 . 1 1 99 99 VAL HG13 H 1 0.970 0.020 . 2 . . . . 99 VAL HG1 . 6950 1 1155 . 1 1 99 99 VAL HG21 H 1 0.836 0.020 . 2 . . . . 99 VAL HG2 . 6950 1 1156 . 1 1 99 99 VAL HG22 H 1 0.836 0.020 . 2 . . . . 99 VAL HG2 . 6950 1 1157 . 1 1 99 99 VAL HG23 H 1 0.836 0.020 . 2 . . . . 99 VAL HG2 . 6950 1 1158 . 1 1 99 99 VAL C C 13 177.051 0.400 . 1 . . . . 99 VAL C . 6950 1 1159 . 1 1 99 99 VAL CA C 13 67.431 0.400 . 1 . . . . 99 VAL CA . 6950 1 1160 . 1 1 99 99 VAL CB C 13 31.714 0.400 . 1 . . . . 99 VAL CB . 6950 1 1161 . 1 1 99 99 VAL CG1 C 13 21.296 0.400 . 1 . . . . 99 VAL CG1 . 6950 1 1162 . 1 1 99 99 VAL CG2 C 13 17.504 0.400 . 1 . . . . 99 VAL CG2 . 6950 1 1163 . 1 1 99 99 VAL N N 15 122.511 0.400 . 1 . . . . 99 VAL N . 6950 1 1164 . 1 1 100 100 LYS H H 1 7.713 0.020 . 1 . . . . 100 LYS H . 6950 1 1165 . 1 1 100 100 LYS HA H 1 3.959 0.020 . 1 . . . . 100 LYS HA . 6950 1 1166 . 1 1 100 100 LYS HB2 H 1 1.924 0.020 . 1 . . . . 100 LYS HB2 . 6950 1 1167 . 1 1 100 100 LYS HB3 H 1 1.924 0.020 . 1 . . . . 100 LYS HB3 . 6950 1 1168 . 1 1 100 100 LYS HG2 H 1 1.600 0.020 . 1 . . . . 100 LYS HG2 . 6950 1 1169 . 1 1 100 100 LYS HG3 H 1 1.600 0.020 . 1 . . . . 100 LYS HG3 . 6950 1 1170 . 1 1 100 100 LYS HE2 H 1 2.836 0.020 . 1 . . . . 100 LYS HE2 . 6950 1 1171 . 1 1 100 100 LYS HE3 H 1 2.836 0.020 . 1 . . . . 100 LYS HE3 . 6950 1 1172 . 1 1 100 100 LYS C C 13 178.921 0.400 . 1 . . . . 100 LYS C . 6950 1 1173 . 1 1 100 100 LYS CA C 13 59.668 0.400 . 1 . . . . 100 LYS CA . 6950 1 1174 . 1 1 100 100 LYS CB C 13 32.199 0.400 . 1 . . . . 100 LYS CB . 6950 1 1175 . 1 1 100 100 LYS CG C 13 29.103 0.400 . 1 . . . . 100 LYS CG . 6950 1 1176 . 1 1 100 100 LYS CD C 13 29.630 0.400 . 1 . . . . 100 LYS CD . 6950 1 1177 . 1 1 100 100 LYS CE C 13 41.970 0.400 . 1 . . . . 100 LYS CE . 6950 1 1178 . 1 1 100 100 LYS N N 15 119.764 0.400 . 1 . . . . 100 LYS N . 6950 1 1179 . 1 1 101 101 LYS H H 1 8.184 0.020 . 1 . . . . 101 LYS H . 6950 1 1180 . 1 1 101 101 LYS HA H 1 3.979 0.020 . 1 . . . . 101 LYS HA . 6950 1 1181 . 1 1 101 101 LYS HB2 H 1 1.786 0.020 . 2 . . . . 101 LYS HB2 . 6950 1 1182 . 1 1 101 101 LYS HB3 H 1 1.701 0.020 . 2 . . . . 101 LYS HB3 . 6950 1 1183 . 1 1 101 101 LYS HG2 H 1 1.257 0.020 . 2 . . . . 101 LYS HG2 . 6950 1 1184 . 1 1 101 101 LYS HG3 H 1 1.339 0.020 . 2 . . . . 101 LYS HG3 . 6950 1 1185 . 1 1 101 101 LYS HE2 H 1 2.843 0.020 . 1 . . . . 101 LYS HE2 . 6950 1 1186 . 1 1 101 101 LYS HE3 H 1 2.843 0.020 . 1 . . . . 101 LYS HE3 . 6950 1 1187 . 1 1 101 101 LYS C C 13 179.201 0.400 . 1 . . . . 101 LYS C . 6950 1 1188 . 1 1 101 101 LYS CA C 13 58.610 0.400 . 1 . . . . 101 LYS CA . 6950 1 1189 . 1 1 101 101 LYS CB C 13 31.756 0.400 . 1 . . . . 101 LYS CB . 6950 1 1190 . 1 1 101 101 LYS CG C 13 24.470 0.400 . 1 . . . . 101 LYS CG . 6950 1 1191 . 1 1 101 101 LYS CD C 13 29.003 0.400 . 1 . . . . 101 LYS CD . 6950 1 1192 . 1 1 101 101 LYS CE C 13 42.050 0.400 . 1 . . . . 101 LYS CE . 6950 1 1193 . 1 1 101 101 LYS N N 15 119.799 0.400 . 1 . . . . 101 LYS N . 6950 1 1194 . 1 1 102 102 HIS H H 1 8.358 0.020 . 1 . . . . 102 HIS H . 6950 1 1195 . 1 1 102 102 HIS HA H 1 4.380 0.020 . 1 . . . . 102 HIS HA . 6950 1 1196 . 1 1 102 102 HIS HB2 H 1 2.846 0.020 . 2 . . . . 102 HIS HB2 . 6950 1 1197 . 1 1 102 102 HIS HB3 H 1 3.186 0.020 . 2 . . . . 102 HIS HB3 . 6950 1 1198 . 1 1 102 102 HIS HD2 H 1 6.869 0.020 . 1 . . . . 102 HIS HD2 . 6950 1 1199 . 1 1 102 102 HIS C C 13 177.491 0.400 . 1 . . . . 102 HIS C . 6950 1 1200 . 1 1 102 102 HIS CA C 13 58.445 0.400 . 1 . . . . 102 HIS CA . 6950 1 1201 . 1 1 102 102 HIS CB C 13 30.881 0.400 . 1 . . . . 102 HIS CB . 6950 1 1202 . 1 1 102 102 HIS N N 15 120.267 0.400 . 1 . . . . 102 HIS N . 6950 1 1203 . 1 1 103 103 LEU H H 1 8.482 0.020 . 1 . . . . 103 LEU H . 6950 1 1204 . 1 1 103 103 LEU HA H 1 3.553 0.020 . 1 . . . . 103 LEU HA . 6950 1 1205 . 1 1 103 103 LEU HB2 H 1 2.056 0.020 . 2 . . . . 103 LEU HB2 . 6950 1 1206 . 1 1 103 103 LEU HB3 H 1 1.840 0.020 . 2 . . . . 103 LEU HB3 . 6950 1 1207 . 1 1 103 103 LEU HG H 1 1.647 0.020 . 1 . . . . 103 LEU HG . 6950 1 1208 . 1 1 103 103 LEU HD11 H 1 0.994 0.020 . 2 . . . . 103 LEU HD1 . 6950 1 1209 . 1 1 103 103 LEU HD12 H 1 0.994 0.020 . 2 . . . . 103 LEU HD1 . 6950 1 1210 . 1 1 103 103 LEU HD13 H 1 0.994 0.020 . 2 . . . . 103 LEU HD1 . 6950 1 1211 . 1 1 103 103 LEU HD21 H 1 0.972 0.020 . 2 . . . . 103 LEU HD2 . 6950 1 1212 . 1 1 103 103 LEU HD22 H 1 0.972 0.020 . 2 . . . . 103 LEU HD2 . 6950 1 1213 . 1 1 103 103 LEU HD23 H 1 0.972 0.020 . 2 . . . . 103 LEU HD2 . 6950 1 1214 . 1 1 103 103 LEU C C 13 179.421 0.400 . 1 . . . . 103 LEU C . 6950 1 1215 . 1 1 103 103 LEU CA C 13 58.215 0.400 . 1 . . . . 103 LEU CA . 6950 1 1216 . 1 1 103 103 LEU CB C 13 41.450 0.400 . 1 . . . . 103 LEU CB . 6950 1 1217 . 1 1 103 103 LEU CG C 13 27.196 0.400 . 1 . . . . 103 LEU CG . 6950 1 1218 . 1 1 103 103 LEU CD1 C 13 25.848 0.400 . 1 . . . . 103 LEU CD1 . 6950 1 1219 . 1 1 103 103 LEU CD2 C 13 23.728 0.400 . 1 . . . . 103 LEU CD2 . 6950 1 1220 . 1 1 103 103 LEU N N 15 120.014 0.400 . 1 . . . . 103 LEU N . 6950 1 1221 . 1 1 104 104 GLN H H 1 7.935 0.020 . 1 . . . . 104 GLN H . 6950 1 1222 . 1 1 104 104 GLN HA H 1 3.974 0.020 . 1 . . . . 104 GLN HA . 6950 1 1223 . 1 1 104 104 GLN HB2 H 1 2.159 0.020 . 1 . . . . 104 GLN HB2 . 6950 1 1224 . 1 1 104 104 GLN HB3 H 1 2.159 0.020 . 1 . . . . 104 GLN HB3 . 6950 1 1225 . 1 1 104 104 GLN HG2 H 1 1.697 0.020 . 2 . . . . 104 GLN HG2 . 6950 1 1226 . 1 1 104 104 GLN HG3 H 1 1.631 0.020 . 2 . . . . 104 GLN HG3 . 6950 1 1227 . 1 1 104 104 GLN C C 13 178.941 0.400 . 1 . . . . 104 GLN C . 6950 1 1228 . 1 1 104 104 GLN CA C 13 58.737 0.400 . 1 . . . . 104 GLN CA . 6950 1 1229 . 1 1 104 104 GLN CB C 13 29.129 0.400 . 1 . . . . 104 GLN CB . 6950 1 1230 . 1 1 104 104 GLN CG C 13 33.878 0.400 . 1 . . . . 104 GLN CG . 6950 1 1231 . 1 1 104 104 GLN N N 15 119.125 0.400 . 1 . . . . 104 GLN N . 6950 1 1232 . 1 1 105 105 ASP H H 1 8.130 0.020 . 1 . . . . 105 ASP H . 6950 1 1233 . 1 1 105 105 ASP HA H 1 4.383 0.020 . 1 . . . . 105 ASP HA . 6950 1 1234 . 1 1 105 105 ASP HB2 H 1 2.771 0.020 . 2 . . . . 105 ASP HB2 . 6950 1 1235 . 1 1 105 105 ASP HB3 H 1 2.813 0.020 . 2 . . . . 105 ASP HB3 . 6950 1 1236 . 1 1 105 105 ASP C C 13 178.981 0.400 . 1 . . . . 105 ASP C . 6950 1 1237 . 1 1 105 105 ASP CA C 13 57.271 0.400 . 1 . . . . 105 ASP CA . 6950 1 1238 . 1 1 105 105 ASP CB C 13 41.462 0.400 . 1 . . . . 105 ASP CB . 6950 1 1239 . 1 1 105 105 ASP N N 15 121.650 0.400 . 1 . . . . 105 ASP N . 6950 1 1240 . 1 1 106 106 LEU H H 1 8.737 0.020 . 1 . . . . 106 LEU H . 6950 1 1241 . 1 1 106 106 LEU HA H 1 3.944 0.020 . 1 . . . . 106 LEU HA . 6950 1 1242 . 1 1 106 106 LEU HB2 H 1 1.208 0.020 . 2 . . . . 106 LEU HB2 . 6950 1 1243 . 1 1 106 106 LEU HB3 H 1 1.660 0.020 . 2 . . . . 106 LEU HB3 . 6950 1 1244 . 1 1 106 106 LEU HG H 1 1.522 0.020 . 1 . . . . 106 LEU HG . 6950 1 1245 . 1 1 106 106 LEU HD11 H 1 0.050 0.020 . 2 . . . . 106 LEU HD1 . 6950 1 1246 . 1 1 106 106 LEU HD12 H 1 0.050 0.020 . 2 . . . . 106 LEU HD1 . 6950 1 1247 . 1 1 106 106 LEU HD13 H 1 0.050 0.020 . 2 . . . . 106 LEU HD1 . 6950 1 1248 . 1 1 106 106 LEU HD21 H 1 0.571 0.020 . 2 . . . . 106 LEU HD2 . 6950 1 1249 . 1 1 106 106 LEU HD22 H 1 0.571 0.020 . 2 . . . . 106 LEU HD2 . 6950 1 1250 . 1 1 106 106 LEU HD23 H 1 0.571 0.020 . 2 . . . . 106 LEU HD2 . 6950 1 1251 . 1 1 106 106 LEU C C 13 178.801 0.400 . 1 . . . . 106 LEU C . 6950 1 1252 . 1 1 106 106 LEU CA C 13 58.217 0.400 . 1 . . . . 106 LEU CA . 6950 1 1253 . 1 1 106 106 LEU CB C 13 42.385 0.400 . 1 . . . . 106 LEU CB . 6950 1 1254 . 1 1 106 106 LEU CG C 13 27.020 0.400 . 1 . . . . 106 LEU CG . 6950 1 1255 . 1 1 106 106 LEU CD1 C 13 25.120 0.400 . 1 . . . . 106 LEU CD1 . 6950 1 1256 . 1 1 106 106 LEU CD2 C 13 23.301 0.400 . 1 . . . . 106 LEU CD2 . 6950 1 1257 . 1 1 106 106 LEU N N 15 120.760 0.400 . 1 . . . . 106 LEU N . 6950 1 1258 . 1 1 107 107 SER H H 1 8.349 0.020 . 1 . . . . 107 SER H . 6950 1 1259 . 1 1 107 107 SER HA H 1 3.982 0.020 . 1 . . . . 107 SER HA . 6950 1 1260 . 1 1 107 107 SER HB2 H 1 3.910 0.020 . 1 . . . . 107 SER HB2 . 6950 1 1261 . 1 1 107 107 SER HB3 H 1 3.910 0.020 . 1 . . . . 107 SER HB3 . 6950 1 1262 . 1 1 107 107 SER C C 13 177.681 0.400 . 1 . . . . 107 SER C . 6950 1 1263 . 1 1 107 107 SER CA C 13 62.192 0.400 . 1 . . . . 107 SER CA . 6950 1 1264 . 1 1 107 107 SER CB C 13 62.561 0.400 . 1 . . . . 107 SER CB . 6950 1 1265 . 1 1 107 107 SER N N 15 112.590 0.400 . 1 . . . . 107 SER N . 6950 1 1266 . 1 1 108 108 GLY H H 1 8.082 0.020 . 1 . . . . 108 GLY H . 6950 1 1267 . 1 1 108 108 GLY HA2 H 1 3.986 0.020 . 2 . . . . 108 GLY HA2 . 6950 1 1268 . 1 1 108 108 GLY HA3 H 1 3.896 0.020 . 2 . . . . 108 GLY HA3 . 6950 1 1269 . 1 1 108 108 GLY C C 13 175.941 0.400 . 1 . . . . 108 GLY C . 6950 1 1270 . 1 1 108 108 GLY CA C 13 46.668 0.400 . 1 . . . . 108 GLY CA . 6950 1 1271 . 1 1 108 108 GLY N N 15 109.497 0.400 . 1 . . . . 108 GLY N . 6950 1 1272 . 1 1 109 109 ARG H H 1 7.887 0.020 . 1 . . . . 109 ARG H . 6950 1 1273 . 1 1 109 109 ARG HA H 1 3.573 0.020 . 1 . . . . 109 ARG HA . 6950 1 1274 . 1 1 109 109 ARG HB2 H 1 1.991 0.020 . 1 . . . . 109 ARG HB2 . 6950 1 1275 . 1 1 109 109 ARG HB3 H 1 1.991 0.020 . 1 . . . . 109 ARG HB3 . 6950 1 1276 . 1 1 109 109 ARG HG2 H 1 1.290 0.020 . 1 . . . . 109 ARG HG2 . 6950 1 1277 . 1 1 109 109 ARG HG3 H 1 1.290 0.020 . 1 . . . . 109 ARG HG3 . 6950 1 1278 . 1 1 109 109 ARG HD2 H 1 2.980 0.020 . 1 . . . . 109 ARG HD2 . 6950 1 1279 . 1 1 109 109 ARG HD3 H 1 2.980 0.020 . 1 . . . . 109 ARG HD3 . 6950 1 1280 . 1 1 109 109 ARG C C 13 179.021 0.400 . 1 . . . . 109 ARG C . 6950 1 1281 . 1 1 109 109 ARG CA C 13 60.106 0.400 . 1 . . . . 109 ARG CA . 6950 1 1282 . 1 1 109 109 ARG CB C 13 29.894 0.400 . 1 . . . . 109 ARG CB . 6950 1 1283 . 1 1 109 109 ARG N N 15 121.072 0.400 . 1 . . . . 109 ARG N . 6950 1 1284 . 1 1 110 110 ILE H H 1 7.718 0.020 . 1 . . . . 110 ILE H . 6950 1 1285 . 1 1 110 110 ILE HA H 1 3.700 0.020 . 1 . . . . 110 ILE HA . 6950 1 1286 . 1 1 110 110 ILE HB H 1 1.778 0.020 . 1 . . . . 110 ILE HB . 6950 1 1287 . 1 1 110 110 ILE HG12 H 1 1.270 0.020 . 2 . . . . 110 ILE HG12 . 6950 1 1288 . 1 1 110 110 ILE HG13 H 1 0.604 0.020 . 2 . . . . 110 ILE HG13 . 6950 1 1289 . 1 1 110 110 ILE HG21 H 1 0.576 0.020 . 1 . . . . 110 ILE HG2 . 6950 1 1290 . 1 1 110 110 ILE HG22 H 1 0.576 0.020 . 1 . . . . 110 ILE HG2 . 6950 1 1291 . 1 1 110 110 ILE HG23 H 1 0.576 0.020 . 1 . . . . 110 ILE HG2 . 6950 1 1292 . 1 1 110 110 ILE HD11 H 1 0.439 0.020 . 1 . . . . 110 ILE HD1 . 6950 1 1293 . 1 1 110 110 ILE HD12 H 1 0.439 0.020 . 1 . . . . 110 ILE HD1 . 6950 1 1294 . 1 1 110 110 ILE HD13 H 1 0.439 0.020 . 1 . . . . 110 ILE HD1 . 6950 1 1295 . 1 1 110 110 ILE C C 13 176.871 0.400 . 1 . . . . 110 ILE C . 6950 1 1296 . 1 1 110 110 ILE CA C 13 62.461 0.400 . 1 . . . . 110 ILE CA . 6950 1 1297 . 1 1 110 110 ILE CB C 13 37.435 0.400 . 1 . . . . 110 ILE CB . 6950 1 1298 . 1 1 110 110 ILE CG1 C 13 28.137 0.400 . 1 . . . . 110 ILE CG1 . 6950 1 1299 . 1 1 110 110 ILE CG2 C 13 18.259 0.400 . 1 . . . . 110 ILE CG2 . 6950 1 1300 . 1 1 110 110 ILE CD1 C 13 12.953 0.400 . 1 . . . . 110 ILE CD1 . 6950 1 1301 . 1 1 110 110 ILE N N 15 116.861 0.400 . 1 . . . . 110 ILE N . 6950 1 1302 . 1 1 111 111 SER H H 1 7.868 0.020 . 1 . . . . 111 SER H . 6950 1 1303 . 1 1 111 111 SER HA H 1 4.168 0.020 . 1 . . . . 111 SER HA . 6950 1 1304 . 1 1 111 111 SER HB2 H 1 3.966 0.020 . 1 . . . . 111 SER HB2 . 6950 1 1305 . 1 1 111 111 SER HB3 H 1 3.966 0.020 . 1 . . . . 111 SER HB3 . 6950 1 1306 . 1 1 111 111 SER C C 13 176.241 0.400 . 1 . . . . 111 SER C . 6950 1 1307 . 1 1 111 111 SER CA C 13 60.556 0.400 . 1 . . . . 111 SER CA . 6950 1 1308 . 1 1 111 111 SER CB C 13 62.798 0.400 . 1 . . . . 111 SER CB . 6950 1 1309 . 1 1 111 111 SER N N 15 115.281 0.400 . 1 . . . . 111 SER N . 6950 1 1310 . 1 1 112 112 ARG H H 1 7.922 0.020 . 1 . . . . 112 ARG H . 6950 1 1311 . 1 1 112 112 ARG HA H 1 4.179 0.020 . 1 . . . . 112 ARG HA . 6950 1 1312 . 1 1 112 112 ARG HB2 H 1 1.840 0.020 . 1 . . . . 112 ARG HB2 . 6950 1 1313 . 1 1 112 112 ARG HB3 H 1 1.840 0.020 . 1 . . . . 112 ARG HB3 . 6950 1 1314 . 1 1 112 112 ARG HG2 H 1 1.650 0.020 . 1 . . . . 112 ARG HG2 . 6950 1 1315 . 1 1 112 112 ARG HG3 H 1 1.650 0.020 . 1 . . . . 112 ARG HG3 . 6950 1 1316 . 1 1 112 112 ARG HD2 H 1 3.217 0.020 . 1 . . . . 112 ARG HD2 . 6950 1 1317 . 1 1 112 112 ARG HD3 H 1 3.217 0.020 . 1 . . . . 112 ARG HD3 . 6950 1 1318 . 1 1 112 112 ARG C C 13 177.011 0.400 . 1 . . . . 112 ARG C . 6950 1 1319 . 1 1 112 112 ARG CA C 13 57.526 0.400 . 1 . . . . 112 ARG CA . 6950 1 1320 . 1 1 112 112 ARG CB C 13 29.394 0.400 . 1 . . . . 112 ARG CB . 6950 1 1321 . 1 1 112 112 ARG CG C 13 27.640 0.400 . 1 . . . . 112 ARG CG . 6950 1 1322 . 1 1 112 112 ARG CD C 13 43.117 0.400 . 1 . . . . 112 ARG CD . 6950 1 1323 . 1 1 112 112 ARG N N 15 120.594 0.400 . 1 . . . . 112 ARG N . 6950 1 1324 . 1 1 113 113 ALA H H 1 7.735 0.020 . 1 . . . . 113 ALA H . 6950 1 1325 . 1 1 113 113 ALA HA H 1 4.235 0.020 . 1 . . . . 113 ALA HA . 6950 1 1326 . 1 1 113 113 ALA HB1 H 1 1.412 0.020 . 1 . . . . 113 ALA HB . 6950 1 1327 . 1 1 113 113 ALA HB2 H 1 1.412 0.020 . 1 . . . . 113 ALA HB . 6950 1 1328 . 1 1 113 113 ALA HB3 H 1 1.412 0.020 . 1 . . . . 113 ALA HB . 6950 1 1329 . 1 1 113 113 ALA C C 13 177.951 0.400 . 1 . . . . 113 ALA C . 6950 1 1330 . 1 1 113 113 ALA CA C 13 53.018 0.400 . 1 . . . . 113 ALA CA . 6950 1 1331 . 1 1 113 113 ALA CB C 13 18.683 0.400 . 1 . . . . 113 ALA CB . 6950 1 1332 . 1 1 113 113 ALA N N 15 122.790 0.400 . 1 . . . . 113 ALA N . 6950 1 1333 . 1 1 114 114 ARG H H 1 7.834 0.020 . 1 . . . . 114 ARG H . 6950 1 1334 . 1 1 114 114 ARG HA H 1 4.230 0.020 . 1 . . . . 114 ARG HA . 6950 1 1335 . 1 1 114 114 ARG HB2 H 1 1.483 0.020 . 1 . . . . 114 ARG HB2 . 6950 1 1336 . 1 1 114 114 ARG HB3 H 1 1.483 0.020 . 1 . . . . 114 ARG HB3 . 6950 1 1337 . 1 1 114 114 ARG HG2 H 1 1.756 0.020 . 1 . . . . 114 ARG HG2 . 6950 1 1338 . 1 1 114 114 ARG HG3 H 1 1.756 0.020 . 1 . . . . 114 ARG HG3 . 6950 1 1339 . 1 1 114 114 ARG HD2 H 1 3.139 0.020 . 1 . . . . 114 ARG HD2 . 6950 1 1340 . 1 1 114 114 ARG HD3 H 1 3.139 0.020 . 1 . . . . 114 ARG HD3 . 6950 1 1341 . 1 1 114 114 ARG C C 13 176.311 0.400 . 1 . . . . 114 ARG C . 6950 1 1342 . 1 1 114 114 ARG CA C 13 56.386 0.400 . 1 . . . . 114 ARG CA . 6950 1 1343 . 1 1 114 114 ARG CB C 13 29.991 0.400 . 1 . . . . 114 ARG CB . 6950 1 1344 . 1 1 114 114 ARG CG C 13 27.240 0.400 . 1 . . . . 114 ARG CG . 6950 1 1345 . 1 1 114 114 ARG CD C 13 43.139 0.400 . 1 . . . . 114 ARG CD . 6950 1 1346 . 1 1 114 114 ARG N N 15 118.495 0.400 . 1 . . . . 114 ARG N . 6950 1 1347 . 1 1 115 115 HIS HA H 1 4.605 0.020 . 1 . . . . 115 HIS HA . 6950 1 1348 . 1 1 115 115 HIS HB2 H 1 3.182 0.020 . 2 . . . . 115 HIS HB2 . 6950 1 1349 . 1 1 115 115 HIS HB3 H 1 3.071 0.020 . 2 . . . . 115 HIS HB3 . 6950 1 1350 . 1 1 115 115 HIS HD2 H 1 7.085 0.020 . 1 . . . . 115 HIS HD2 . 6950 1 1351 . 1 1 115 115 HIS C C 13 174.691 0.400 . 1 . . . . 115 HIS C . 6950 1 1352 . 1 1 115 115 HIS CA C 13 56.100 0.400 . 1 . . . . 115 HIS CA . 6950 1 1353 . 1 1 115 115 HIS CB C 13 30.124 0.400 . 1 . . . . 115 HIS CB . 6950 1 1354 . 1 1 115 115 HIS N N 15 119.826 0.400 . 1 . . . . 115 HIS N . 6950 1 1355 . 1 1 116 116 ASN HA H 1 4.206 0.020 . 1 . . . . 116 ASN HA . 6950 1 1356 . 1 1 116 116 ASN HB2 H 1 2.796 0.020 . 2 . . . . 116 ASN HB2 . 6950 1 1357 . 1 1 116 116 ASN HB3 H 1 2.716 0.020 . 2 . . . . 116 ASN HB3 . 6950 1 1358 . 1 1 116 116 ASN C C 13 174.721 0.400 . 1 . . . . 116 ASN C . 6950 1 1359 . 1 1 116 116 ASN CA C 13 53.207 0.400 . 1 . . . . 116 ASN CA . 6950 1 1360 . 1 1 116 116 ASN CB C 13 38.831 0.400 . 1 . . . . 116 ASN CB . 6950 1 1361 . 1 1 116 116 ASN N N 15 121.271 0.400 . 1 . . . . 116 ASN N . 6950 1 1362 . 1 1 117 117 GLU H H 1 8.372 0.020 . 1 . . . . 117 GLU H . 6950 1 1363 . 1 1 117 117 GLU HA H 1 4.231 0.020 . 1 . . . . 117 GLU HA . 6950 1 1364 . 1 1 117 117 GLU HB2 H 1 2.026 0.020 . 2 . . . . 117 GLU HB2 . 6950 1 1365 . 1 1 117 117 GLU HB3 H 1 1.890 0.020 . 2 . . . . 117 GLU HB3 . 6950 1 1366 . 1 1 117 117 GLU HG2 H 1 2.240 0.020 . 2 . . . . 117 GLU HG2 . 6950 1 1367 . 1 1 117 117 GLU HG3 H 1 2.270 0.020 . 2 . . . . 117 GLU HG3 . 6950 1 1368 . 1 1 117 117 GLU C C 13 175.341 0.400 . 1 . . . . 117 GLU C . 6950 1 1369 . 1 1 117 117 GLU CA C 13 56.102 0.400 . 1 . . . . 117 GLU CA . 6950 1 1370 . 1 1 117 117 GLU CB C 13 29.621 0.400 . 1 . . . . 117 GLU CB . 6950 1 1371 . 1 1 117 117 GLU CG C 13 36.360 0.400 . 1 . . . . 117 GLU CG . 6950 1 1372 . 1 1 117 117 GLU N N 15 121.471 0.400 . 1 . . . . 117 GLU N . 6950 1 1373 . 1 1 118 118 LEU H H 1 7.865 0.020 . 1 . . . . 118 LEU H . 6950 1 1374 . 1 1 118 118 LEU HA H 1 4.137 0.020 . 1 . . . . 118 LEU HA . 6950 1 1375 . 1 1 118 118 LEU HB2 H 1 1.545 0.020 . 1 . . . . 118 LEU HB2 . 6950 1 1376 . 1 1 118 118 LEU HB3 H 1 1.545 0.020 . 1 . . . . 118 LEU HB3 . 6950 1 1377 . 1 1 118 118 LEU HG H 1 1.600 0.020 . 1 . . . . 118 LEU HG . 6950 1 1378 . 1 1 118 118 LEU HD11 H 1 0.866 0.020 . 2 . . . . 118 LEU HD1 . 6950 1 1379 . 1 1 118 118 LEU HD12 H 1 0.866 0.020 . 2 . . . . 118 LEU HD1 . 6950 1 1380 . 1 1 118 118 LEU HD13 H 1 0.866 0.020 . 2 . . . . 118 LEU HD1 . 6950 1 1381 . 1 1 118 118 LEU HD21 H 1 0.857 0.020 . 2 . . . . 118 LEU HD2 . 6950 1 1382 . 1 1 118 118 LEU HD22 H 1 0.857 0.020 . 2 . . . . 118 LEU HD2 . 6950 1 1383 . 1 1 118 118 LEU HD23 H 1 0.857 0.020 . 2 . . . . 118 LEU HD2 . 6950 1 1384 . 1 1 118 118 LEU CA C 13 56.726 0.400 . 1 . . . . 118 LEU CA . 6950 1 1385 . 1 1 118 118 LEU CB C 13 42.397 0.400 . 1 . . . . 118 LEU CB . 6950 1 1386 . 1 1 118 118 LEU CG C 13 27.170 0.400 . 1 . . . . 118 LEU CG . 6950 1 1387 . 1 1 118 118 LEU CD1 C 13 25.141 0.400 . 1 . . . . 118 LEU CD1 . 6950 1 1388 . 1 1 118 118 LEU CD2 C 13 20.398 0.400 . 1 . . . . 118 LEU CD2 . 6950 1 1389 . 1 1 118 118 LEU N N 15 128.832 0.400 . 1 . . . . 118 LEU N . 6950 1 stop_ save_