data_11597 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11597 _Entry.Title ; Solution NMR structure of Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-24 _Entry.Accession_date 2015-10-01 _Entry.Last_release_date 2016-09-19 _Entry.Original_release_date 2016-09-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.1.61 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Takuma Kasai . . . . 11597 2 Jana Pawlak . . . . 11597 3 Akira Imamoto . . . . 11597 4 Takanori Kigawa . . . . 11597 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 11597 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'phosphotyrosine-binding domain' . 11597 'signal transduction' . 11597 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11597 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 440 11597 '15N chemical shifts' 101 11597 '1H chemical shifts' 685 11597 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 . . 2016-09-19 . original BMRB . 11597 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RVF 'BMRB Entry Tracking System' 11597 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11597 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; A premetazoan origin of the CRK gene family and co-opted signaling network ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yoko Shigeno-Nakazawa . . . . 11597 1 2 Takuma Kasai . . . . 11597 1 3 Elina Kostyanovskaya . . . . 11597 1 4 Jana Pawlak . . . . 11597 1 5 Junya Yamagishi . . . . 11597 1 6 Noriaki Okimoto . . . . 11597 1 7 Makoto Taiji . . . . 11597 1 8 Mariko Okada . . . . 11597 1 9 Tatjana Sauka-Spengler . . . . 11597 1 10 Jody Westbrook . . . . 11597 1 11 Yoko Satta . . . . 11597 1 12 Takanori Kigawa . . . . 11597 1 13 Akira Imamoto . . . . 11597 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11597 _Assembly.ID 1 _Assembly.Name 'Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 'Monosiga brevicollis CRK/CRKL homolog (crka1) SH2 domain' 1 $crka1_SH2_domain A . yes native no no . . . 11597 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_crka1_SH2_domain _Entity.Sf_category entity _Entity.Sf_framecode crka1_SH2_domain _Entity.Entry_ID 11597 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name crka1_SH2_domain _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMAEAAAPWYHGPL SRTDAENSLLRMPEGTFLVR DSTSSPGDYVLSCSENGKVT HYKLSAEEGKIRIDTHLFDN LDAAITFYMEHELEYSSLKQ PLQR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Residues -6 to 0 are cloning artifacts. GenBank entry KT795324 which corresponds to mRNA sequence of Monosiga brevicollis crka1 is not released yet. The nucleotide sequence of KT795324 is: TGCGCCTCGATCATTTTGAGCCCCAGGGCCTTTGTTGTGCATCATGGCGGAAGCCGCAGCACCCTGGTATCATGGGCCGC TGAGCCGCACCGATGCAGAAAACAGTCTCTTGCGTATGCCCGAAGGGACTTTCTTGGTCCGCGACAGCACCTCGTCCCCC GGAGATTATGTCCTCTCATGCAGCGAGAATGGCAAGGTGACGCACTACAAGCTCTCGGCCGAAGAGGGCAAGATTCGTAT CGATACACACCTCTTTGACAACCTGGATGCTGCCATCACCTTTTACATGGAGCACGAGTTGGAATACAGTTCGCTCAAAC AGCCCCTGCAACGGCAATCATCATGGCGCGATGACGAGCTTGTCGCCACGGTCATGTTCTCTGCAGAAGGGCTGTACAAG TTTGTCGGCCGCAATGAAAACGATTTACCCTTTGACAAGGGGGAGCTTCTCAATGTCTTGCAGCTAACACAGGACAATTG GTGGATGGCCCAGAGTCAGAAAACGCTCAAGATTGGCTACGTTCCCGTCAATTATGTCCGGGCGCTAGAGCAGCCAGCTG CCCCGCCACCGCGCCCTGCTCCACGTCCTGCCGAGGAGGAGTCTTCCAGGCTTGAGCGAACCGAATCCCGTCGTACGCCG GCCAGCCACCATCGACCCAAGGAACCCATGCCGGCAGGTGCCGTCATGACACGAGCTCCGGCTCGACATCACCAAGAGGC AAAGGCACCCCCTGCACGGCCTCAGCCGACTGGGCCTTCTGCCGCGGGTCCGATAGCCGCTGCTGCTCCGCCTCCACGTC CCAAAACATCAAAGCCCACGACCGACTTTAGTGCGCTCAAGGCTCAACTGCAGGAGCCAATTGTTTCCAATCCCACGCCC ACCTCGACGGCCCCAGAGCAGGCGGCTTTGCCCGCCGAAACCACGGCAGAAGTCTCAACACCAACGCAGCCGCTCGCATC TGCTCCGCCCACTTCTACGGCCTCGCATGAAGCGCCGGCAAGCTCTGCCGCACCCGCTACTCAGCACGGCGCAGGGTCAG AGGATCACGCTACCGCTCCCGACTCGGAGCCTCCCATCACTTTGGTCCGCGCCATCACCGCCATCATCCCCAACGCCTAT GACAATGATGCCTTGGTCTTGGAGGAAAATGATTTGGTTCACGTGCTGGATGGCGGCGAAGGCGCACTGGAGCGGGGCCG CGTTCTCAGAACTGGACAGATCGGCTTGTATCCCTTTGCAAAGACTGAGGATATTGAGAGCCACAACTACGATGCCGAAG TGAAGGCAGCCGTCGCTGACTACCTGAAGCGGTTTCCAGATGCATGCTAGCAAACCATAGGTGGCTATTGGCGACGGTCG TGAGATACGT And the translated protein sequence is: MAEAAAPWYHGPLSRTDAENSLLRMPEGTFLVRDSTSSPGDYVLSCSENGKVTHYKLSAEEGKIRIDTHLFDNLDAAITF YMEHELEYSSLKQPLQRQSSWRDDELVATVMFSAEGLYKFVGRNENDLPFDKGELLNVLQLTQDNWWMAQSQKTLKIGYV PVNYVRALEQPAAPPPRPAPRPAEEESSRLERTESRRTPASHHRPKEPMPAGAVMTRAPARHHQEAKAPPARPQPTGPSA AGPIAAAAPPPRPKTSKPTTDFSALKAQLQEPIVSNPTPTSTAPEQAALPAETTAEVSTPTQPLASAPPTSTASHEAPAS SAAPATQHGAGSEDHATAPDSEPPITLVRAITAIIPNAYDNDALVLEENDLVHVLDGGEGALERGRVLRTGQIGLYPFAK TEDIESHNYDAEVKAAVADYLKRFPDAC ; _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 104 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'SH2 domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11482.751 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . yes GB KT795324 . crka1 . . . . . . . . . . . . . . 11597 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 . GLY . 11597 1 2 . SER . 11597 1 3 . SER . 11597 1 4 -3 GLY . 11597 1 5 -2 SER . 11597 1 6 -1 SER . 11597 1 7 0 GLY . 11597 1 8 1 MET . 11597 1 9 2 ALA . 11597 1 10 3 GLU . 11597 1 11 4 ALA . 11597 1 12 5 ALA . 11597 1 13 6 ALA . 11597 1 14 7 PRO . 11597 1 15 8 TRP . 11597 1 16 9 TYR . 11597 1 17 10 HIS . 11597 1 18 11 GLY . 11597 1 19 12 PRO . 11597 1 20 13 LEU . 11597 1 21 14 SER . 11597 1 22 15 ARG . 11597 1 23 16 THR . 11597 1 24 17 ASP . 11597 1 25 18 ALA . 11597 1 26 19 GLU . 11597 1 27 20 ASN . 11597 1 28 21 SER . 11597 1 29 22 LEU . 11597 1 30 23 LEU . 11597 1 31 24 ARG . 11597 1 32 25 MET . 11597 1 33 26 PRO . 11597 1 34 27 GLU . 11597 1 35 28 GLY . 11597 1 36 29 THR . 11597 1 37 30 PHE . 11597 1 38 31 LEU . 11597 1 39 32 VAL . 11597 1 40 33 ARG . 11597 1 41 34 ASP . 11597 1 42 35 SER . 11597 1 43 36 THR . 11597 1 44 37 SER . 11597 1 45 38 SER . 11597 1 46 39 PRO . 11597 1 47 40 GLY . 11597 1 48 41 ASP . 11597 1 49 42 TYR . 11597 1 50 43 VAL . 11597 1 51 44 LEU . 11597 1 52 45 SER . 11597 1 53 46 CYS . 11597 1 54 47 SER . 11597 1 55 48 GLU . 11597 1 56 49 ASN . 11597 1 57 50 GLY . 11597 1 58 51 LYS . 11597 1 59 52 VAL . 11597 1 60 53 THR . 11597 1 61 54 HIS . 11597 1 62 55 TYR . 11597 1 63 56 LYS . 11597 1 64 57 LEU . 11597 1 65 58 SER . 11597 1 66 59 ALA . 11597 1 67 60 GLU . 11597 1 68 61 GLU . 11597 1 69 62 GLY . 11597 1 70 63 LYS . 11597 1 71 64 ILE . 11597 1 72 65 ARG . 11597 1 73 66 ILE . 11597 1 74 67 ASP . 11597 1 75 68 THR . 11597 1 76 69 HIS . 11597 1 77 70 LEU . 11597 1 78 71 PHE . 11597 1 79 72 ASP . 11597 1 80 73 ASN . 11597 1 81 74 LEU . 11597 1 82 75 ASP . 11597 1 83 76 ALA . 11597 1 84 77 ALA . 11597 1 85 78 ILE . 11597 1 86 79 THR . 11597 1 87 80 PHE . 11597 1 88 81 TYR . 11597 1 89 82 MET . 11597 1 90 83 GLU . 11597 1 91 84 HIS . 11597 1 92 85 GLU . 11597 1 93 86 LEU . 11597 1 94 87 GLU . 11597 1 95 88 TYR . 11597 1 96 89 SER . 11597 1 97 90 SER . 11597 1 98 91 LEU . 11597 1 99 92 LYS . 11597 1 100 93 GLN . 11597 1 101 94 PRO . 11597 1 102 95 LEU . 11597 1 103 96 GLN . 11597 1 104 97 ARG . 11597 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11597 1 . SER 2 2 11597 1 . SER 3 3 11597 1 . GLY 4 4 11597 1 . SER 5 5 11597 1 . SER 6 6 11597 1 . GLY 7 7 11597 1 . MET 8 8 11597 1 . ALA 9 9 11597 1 . GLU 10 10 11597 1 . ALA 11 11 11597 1 . ALA 12 12 11597 1 . ALA 13 13 11597 1 . PRO 14 14 11597 1 . TRP 15 15 11597 1 . TYR 16 16 11597 1 . HIS 17 17 11597 1 . GLY 18 18 11597 1 . PRO 19 19 11597 1 . LEU 20 20 11597 1 . SER 21 21 11597 1 . ARG 22 22 11597 1 . THR 23 23 11597 1 . ASP 24 24 11597 1 . ALA 25 25 11597 1 . GLU 26 26 11597 1 . ASN 27 27 11597 1 . SER 28 28 11597 1 . LEU 29 29 11597 1 . LEU 30 30 11597 1 . ARG 31 31 11597 1 . MET 32 32 11597 1 . PRO 33 33 11597 1 . GLU 34 34 11597 1 . GLY 35 35 11597 1 . THR 36 36 11597 1 . PHE 37 37 11597 1 . LEU 38 38 11597 1 . VAL 39 39 11597 1 . ARG 40 40 11597 1 . ASP 41 41 11597 1 . SER 42 42 11597 1 . THR 43 43 11597 1 . SER 44 44 11597 1 . SER 45 45 11597 1 . PRO 46 46 11597 1 . GLY 47 47 11597 1 . ASP 48 48 11597 1 . TYR 49 49 11597 1 . VAL 50 50 11597 1 . LEU 51 51 11597 1 . SER 52 52 11597 1 . CYS 53 53 11597 1 . SER 54 54 11597 1 . GLU 55 55 11597 1 . ASN 56 56 11597 1 . GLY 57 57 11597 1 . LYS 58 58 11597 1 . VAL 59 59 11597 1 . THR 60 60 11597 1 . HIS 61 61 11597 1 . TYR 62 62 11597 1 . LYS 63 63 11597 1 . LEU 64 64 11597 1 . SER 65 65 11597 1 . ALA 66 66 11597 1 . GLU 67 67 11597 1 . GLU 68 68 11597 1 . GLY 69 69 11597 1 . LYS 70 70 11597 1 . ILE 71 71 11597 1 . ARG 72 72 11597 1 . ILE 73 73 11597 1 . ASP 74 74 11597 1 . THR 75 75 11597 1 . HIS 76 76 11597 1 . LEU 77 77 11597 1 . PHE 78 78 11597 1 . ASP 79 79 11597 1 . ASN 80 80 11597 1 . LEU 81 81 11597 1 . ASP 82 82 11597 1 . ALA 83 83 11597 1 . ALA 84 84 11597 1 . ILE 85 85 11597 1 . THR 86 86 11597 1 . PHE 87 87 11597 1 . TYR 88 88 11597 1 . MET 89 89 11597 1 . GLU 90 90 11597 1 . HIS 91 91 11597 1 . GLU 92 92 11597 1 . LEU 93 93 11597 1 . GLU 94 94 11597 1 . TYR 95 95 11597 1 . SER 96 96 11597 1 . SER 97 97 11597 1 . LEU 98 98 11597 1 . LYS 99 99 11597 1 . GLN 100 100 11597 1 . PRO 101 101 11597 1 . LEU 102 102 11597 1 . GLN 103 103 11597 1 . ARG 104 104 11597 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 11597 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $crka1_SH2_domain . 81824 organism . 'Monosiga brevicollis' 'Monosiga brevicollis' . . Eukaryota . Monosiga brevicollis . . . . . . . . . . . crka1 . 11597 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 11597 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $crka1_SH2_domain . 'cell free synthesis' 'E. coli - cell free' . . 562 . . . . . . . . P100927-01 . . . 11597 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11597 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'crka1 SH2 domain' '[U-13C; U-15N]' . . 1 $crka1_SH2_domain . protein 1.1 . . mM . . . . 11597 1 2 TRIS [U-2H] . . . . . buffer 20 . . mM . . . . 11597 1 3 'sodium chloride' 'natural abundance' . . . . . salt 100 . . mM . . . . 11597 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 11597 1 5 DTT [U-2H] . . . . . . 1 . . mM . . . . 11597 1 6 D2O [U-2H] . . . . . solvent 10 . . % . . . . 11597 1 7 H2O 'natural abundance' . . . . . solvent 90 . . % . . . . 11597 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11597 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 . mM 11597 1 pH 7.0 . pH 11597 1 pressure 1 . atm 11597 1 temperature 298 . K 11597 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11597 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11597 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11597 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 11597 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11597 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11597 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11597 _Software.ID 3 _Software.Name NMRPipe _Software.Version 20110801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11597 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11597 3 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11597 _Software.ID 4 _Software.Name NMRView _Software.Version 5.2.2_01 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 11597 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11597 4 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11597 _Software.ID 5 _Software.Name Kujira _Software.Version 0.9843 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, Iwahara, Koshiba, Tomizawa, Tochio, G ntert, Kigawa, Yokoyama' . . 11597 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11597 5 'data analysis' 11597 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11597 _Software.ID 6 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11597 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11597 6 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 11597 _Software.ID 7 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 11597 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11597 7 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 11597 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11597 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11597 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 11597 1 2 spectrometer_2 Bruker Avance . 800 . . . 11597 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 11597 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 8 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 12 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 13 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11597 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11597 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11597 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11597 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.768 internal indirect 0.251449530 . . . . . 11597 1 H 1 water protons . . . . ppm 4.768 internal direct 1.000000000 . . . . . 11597 1 N 15 water protons . . . . ppm 4.768 internal indirect 0.101329118 . . . . . 11597 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11597 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11597 1 2 '3D 1H-13C NOESY' 1 $sample_1 isotropic 11597 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 4 4 GLY HA2 H 1 4.047 0.030 . 1 . . . A -3 GLY HA2 . 11597 1 2 . 1 1 4 4 GLY HA3 H 1 4.047 0.030 . 1 . . . A -3 GLY HA3 . 11597 1 3 . 1 1 4 4 GLY C C 13 174.400 0.300 . 1 . . . A -3 GLY C . 11597 1 4 . 1 1 4 4 GLY CA C 13 45.452 0.300 . 1 . . . A -3 GLY CA . 11597 1 5 . 1 1 5 5 SER H H 1 8.297 0.030 . 1 . . . A -2 SER H . 11597 1 6 . 1 1 5 5 SER HA H 1 4.547 0.030 . 1 . . . A -2 SER HA . 11597 1 7 . 1 1 5 5 SER HB2 H 1 3.897 0.030 . 1 . . . A -2 SER HB2 . 11597 1 8 . 1 1 5 5 SER HB3 H 1 3.897 0.030 . 1 . . . A -2 SER HB3 . 11597 1 9 . 1 1 5 5 SER C C 13 174.847 0.300 . 1 . . . A -2 SER C . 11597 1 10 . 1 1 5 5 SER CA C 13 58.412 0.300 . 1 . . . A -2 SER CA . 11597 1 11 . 1 1 5 5 SER CB C 13 63.931 0.300 . 1 . . . A -2 SER CB . 11597 1 12 . 1 1 5 5 SER N N 15 115.849 0.300 . 1 . . . A -2 SER N . 11597 1 13 . 1 1 6 6 SER H H 1 8.451 0.030 . 1 . . . A -1 SER H . 11597 1 14 . 1 1 6 6 SER HA H 1 4.501 0.030 . 1 . . . A -1 SER HA . 11597 1 15 . 1 1 6 6 SER HB2 H 1 3.942 0.030 . 1 . . . A -1 SER HB2 . 11597 1 16 . 1 1 6 6 SER HB3 H 1 3.942 0.030 . 1 . . . A -1 SER HB3 . 11597 1 17 . 1 1 6 6 SER C C 13 175.080 0.300 . 1 . . . A -1 SER C . 11597 1 18 . 1 1 6 6 SER CA C 13 58.809 0.300 . 1 . . . A -1 SER CA . 11597 1 19 . 1 1 6 6 SER CB C 13 63.870 0.300 . 1 . . . A -1 SER CB . 11597 1 20 . 1 1 6 6 SER N N 15 117.877 0.300 . 1 . . . A -1 SER N . 11597 1 21 . 1 1 7 7 GLY H H 1 8.436 0.030 . 1 . . . A 0 GLY H . 11597 1 22 . 1 1 7 7 GLY HA2 H 1 4.004 0.030 . 1 . . . A 0 GLY HA2 . 11597 1 23 . 1 1 7 7 GLY HA3 H 1 4.004 0.030 . 1 . . . A 0 GLY HA3 . 11597 1 24 . 1 1 7 7 GLY C C 13 174.167 0.300 . 1 . . . A 0 GLY C . 11597 1 25 . 1 1 7 7 GLY CA C 13 45.504 0.300 . 1 . . . A 0 GLY CA . 11597 1 26 . 1 1 7 7 GLY N N 15 110.719 0.300 . 1 . . . A 0 GLY N . 11597 1 27 . 1 1 8 8 MET H H 1 8.158 0.030 . 1 . . . A 1 MET H . 11597 1 28 . 1 1 8 8 MET HA H 1 4.486 0.030 . 1 . . . A 1 MET HA . 11597 1 29 . 1 1 8 8 MET HB2 H 1 1.982 0.030 . 2 . . . A 1 MET HB2 . 11597 1 30 . 1 1 8 8 MET HB3 H 1 2.058 0.030 . 2 . . . A 1 MET HB3 . 11597 1 31 . 1 1 8 8 MET HG2 H 1 2.496 0.030 . 2 . . . A 1 MET HG2 . 11597 1 32 . 1 1 8 8 MET HG3 H 1 2.545 0.030 . 2 . . . A 1 MET HG3 . 11597 1 33 . 1 1 8 8 MET HE1 H 1 1.969 0.030 . 1 . . . A 1 MET HE1 . 11597 1 34 . 1 1 8 8 MET HE2 H 1 1.969 0.030 . 1 . . . A 1 MET HE2 . 11597 1 35 . 1 1 8 8 MET HE3 H 1 1.969 0.030 . 1 . . . A 1 MET HE3 . 11597 1 36 . 1 1 8 8 MET C C 13 176.206 0.300 . 1 . . . A 1 MET C . 11597 1 37 . 1 1 8 8 MET CA C 13 55.582 0.300 . 1 . . . A 1 MET CA . 11597 1 38 . 1 1 8 8 MET CB C 13 32.986 0.300 . 1 . . . A 1 MET CB . 11597 1 39 . 1 1 8 8 MET CG C 13 32.107 0.300 . 1 . . . A 1 MET CG . 11597 1 40 . 1 1 8 8 MET CE C 13 17.061 0.300 . 1 . . . A 1 MET CE . 11597 1 41 . 1 1 8 8 MET N N 15 119.918 0.300 . 1 . . . A 1 MET N . 11597 1 42 . 1 1 9 9 ALA H H 1 8.390 0.030 . 1 . . . A 2 ALA H . 11597 1 43 . 1 1 9 9 ALA HA H 1 4.259 0.030 . 1 . . . A 2 ALA HA . 11597 1 44 . 1 1 9 9 ALA HB1 H 1 1.361 0.030 . 1 . . . A 2 ALA HB1 . 11597 1 45 . 1 1 9 9 ALA HB2 H 1 1.361 0.030 . 1 . . . A 2 ALA HB2 . 11597 1 46 . 1 1 9 9 ALA HB3 H 1 1.361 0.030 . 1 . . . A 2 ALA HB3 . 11597 1 47 . 1 1 9 9 ALA C C 13 178.049 0.300 . 1 . . . A 2 ALA C . 11597 1 48 . 1 1 9 9 ALA CA C 13 52.996 0.300 . 1 . . . A 2 ALA CA . 11597 1 49 . 1 1 9 9 ALA CB C 13 19.049 0.300 . 1 . . . A 2 ALA CB . 11597 1 50 . 1 1 9 9 ALA N N 15 125.406 0.300 . 1 . . . A 2 ALA N . 11597 1 51 . 1 1 10 10 GLU H H 1 8.467 0.030 . 1 . . . A 3 GLU H . 11597 1 52 . 1 1 10 10 GLU HA H 1 4.149 0.030 . 1 . . . A 3 GLU HA . 11597 1 53 . 1 1 10 10 GLU HB2 H 1 1.879 0.030 . 2 . . . A 3 GLU HB2 . 11597 1 54 . 1 1 10 10 GLU HB3 H 1 1.999 0.030 . 2 . . . A 3 GLU HB3 . 11597 1 55 . 1 1 10 10 GLU HG2 H 1 2.237 0.030 . 1 . . . A 3 GLU HG2 . 11597 1 56 . 1 1 10 10 GLU HG3 H 1 2.237 0.030 . 1 . . . A 3 GLU HG3 . 11597 1 57 . 1 1 10 10 GLU C C 13 176.260 0.300 . 1 . . . A 3 GLU C . 11597 1 58 . 1 1 10 10 GLU CA C 13 57.010 0.300 . 1 . . . A 3 GLU CA . 11597 1 59 . 1 1 10 10 GLU CB C 13 29.844 0.300 . 1 . . . A 3 GLU CB . 11597 1 60 . 1 1 10 10 GLU CG C 13 36.538 0.300 . 1 . . . A 3 GLU CG . 11597 1 61 . 1 1 10 10 GLU N N 15 119.927 0.300 . 1 . . . A 3 GLU N . 11597 1 62 . 1 1 11 11 ALA H H 1 8.038 0.030 . 1 . . . A 4 ALA H . 11597 1 63 . 1 1 11 11 ALA HA H 1 4.183 0.030 . 1 . . . A 4 ALA HA . 11597 1 64 . 1 1 11 11 ALA HB1 H 1 1.326 0.030 . 1 . . . A 4 ALA HB1 . 11597 1 65 . 1 1 11 11 ALA HB2 H 1 1.326 0.030 . 1 . . . A 4 ALA HB2 . 11597 1 66 . 1 1 11 11 ALA HB3 H 1 1.326 0.030 . 1 . . . A 4 ALA HB3 . 11597 1 67 . 1 1 11 11 ALA C C 13 177.244 0.300 . 1 . . . A 4 ALA C . 11597 1 68 . 1 1 11 11 ALA CA C 13 52.680 0.300 . 1 . . . A 4 ALA CA . 11597 1 69 . 1 1 11 11 ALA CB C 13 19.092 0.300 . 1 . . . A 4 ALA CB . 11597 1 70 . 1 1 11 11 ALA N N 15 123.615 0.300 . 1 . . . A 4 ALA N . 11597 1 71 . 1 1 12 12 ALA H H 1 7.980 0.030 . 1 . . . A 5 ALA H . 11597 1 72 . 1 1 12 12 ALA HA H 1 4.252 0.030 . 1 . . . A 5 ALA HA . 11597 1 73 . 1 1 12 12 ALA HB1 H 1 1.360 0.030 . 1 . . . A 5 ALA HB1 . 11597 1 74 . 1 1 12 12 ALA HB2 H 1 1.360 0.030 . 1 . . . A 5 ALA HB2 . 11597 1 75 . 1 1 12 12 ALA HB3 H 1 1.360 0.030 . 1 . . . A 5 ALA HB3 . 11597 1 76 . 1 1 12 12 ALA C C 13 177.011 0.300 . 1 . . . A 5 ALA C . 11597 1 77 . 1 1 12 12 ALA CA C 13 51.781 0.300 . 1 . . . A 5 ALA CA . 11597 1 78 . 1 1 12 12 ALA CB C 13 19.573 0.300 . 1 . . . A 5 ALA CB . 11597 1 79 . 1 1 12 12 ALA N N 15 121.663 0.300 . 1 . . . A 5 ALA N . 11597 1 80 . 1 1 13 13 ALA H H 1 7.957 0.030 . 1 . . . A 6 ALA H . 11597 1 81 . 1 1 13 13 ALA HA H 1 4.080 0.030 . 1 . . . A 6 ALA HA . 11597 1 82 . 1 1 13 13 ALA HB1 H 1 0.080 0.030 . 1 . . . A 6 ALA HB1 . 11597 1 83 . 1 1 13 13 ALA HB2 H 1 0.080 0.030 . 1 . . . A 6 ALA HB2 . 11597 1 84 . 1 1 13 13 ALA HB3 H 1 0.080 0.030 . 1 . . . A 6 ALA HB3 . 11597 1 85 . 1 1 13 13 ALA C C 13 177.119 0.300 . 1 . . . A 6 ALA C . 11597 1 86 . 1 1 13 13 ALA CA C 13 50.318 0.300 . 1 . . . A 6 ALA CA . 11597 1 87 . 1 1 13 13 ALA CB C 13 16.643 0.300 . 1 . . . A 6 ALA CB . 11597 1 88 . 1 1 13 13 ALA N N 15 124.098 0.300 . 1 . . . A 6 ALA N . 11597 1 89 . 1 1 14 14 PRO HA H 1 4.229 0.030 . 1 . . . A 7 PRO HA . 11597 1 90 . 1 1 14 14 PRO HB2 H 1 1.777 0.030 . 1 . . . A 7 PRO HB2 . 11597 1 91 . 1 1 14 14 PRO HB3 H 1 2.403 0.030 . 1 . . . A 7 PRO HB3 . 11597 1 92 . 1 1 14 14 PRO HG2 H 1 1.956 0.030 . 1 . . . A 7 PRO HG2 . 11597 1 93 . 1 1 14 14 PRO HG3 H 1 2.146 0.030 . 1 . . . A 7 PRO HG3 . 11597 1 94 . 1 1 14 14 PRO HD2 H 1 3.398 0.030 . 1 . . . A 7 PRO HD2 . 11597 1 95 . 1 1 14 14 PRO HD3 H 1 3.683 0.030 . 1 . . . A 7 PRO HD3 . 11597 1 96 . 1 1 14 14 PRO C C 13 175.509 0.300 . 1 . . . A 7 PRO C . 11597 1 97 . 1 1 14 14 PRO CA C 13 64.568 0.300 . 1 . . . A 7 PRO CA . 11597 1 98 . 1 1 14 14 PRO CB C 13 32.126 0.300 . 1 . . . A 7 PRO CB . 11597 1 99 . 1 1 14 14 PRO CG C 13 27.728 0.300 . 1 . . . A 7 PRO CG . 11597 1 100 . 1 1 14 14 PRO CD C 13 50.367 0.300 . 1 . . . A 7 PRO CD . 11597 1 101 . 1 1 15 15 TRP H H 1 5.875 0.030 . 1 . . . A 8 TRP H . 11597 1 102 . 1 1 15 15 TRP HA H 1 4.658 0.030 . 1 . . . A 8 TRP HA . 11597 1 103 . 1 1 15 15 TRP HB2 H 1 3.658 0.030 . 1 . . . A 8 TRP HB2 . 11597 1 104 . 1 1 15 15 TRP HB3 H 1 2.767 0.030 . 1 . . . A 8 TRP HB3 . 11597 1 105 . 1 1 15 15 TRP HD1 H 1 7.401 0.030 . 1 . . . A 8 TRP HD1 . 11597 1 106 . 1 1 15 15 TRP HE1 H 1 10.860 0.030 . 1 . . . A 8 TRP HE1 . 11597 1 107 . 1 1 15 15 TRP HE3 H 1 7.284 0.030 . 1 . . . A 8 TRP HE3 . 11597 1 108 . 1 1 15 15 TRP HZ2 H 1 7.633 0.030 . 1 . . . A 8 TRP HZ2 . 11597 1 109 . 1 1 15 15 TRP HZ3 H 1 6.736 0.030 . 1 . . . A 8 TRP HZ3 . 11597 1 110 . 1 1 15 15 TRP HH2 H 1 6.939 0.030 . 1 . . . A 8 TRP HH2 . 11597 1 111 . 1 1 15 15 TRP C C 13 176.314 0.300 . 1 . . . A 8 TRP C . 11597 1 112 . 1 1 15 15 TRP CA C 13 53.372 0.300 . 1 . . . A 8 TRP CA . 11597 1 113 . 1 1 15 15 TRP CB C 13 31.251 0.300 . 1 . . . A 8 TRP CB . 11597 1 114 . 1 1 15 15 TRP CD1 C 13 128.675 0.300 . 1 . . . A 8 TRP CD1 . 11597 1 115 . 1 1 15 15 TRP CE3 C 13 120.727 0.300 . 1 . . . A 8 TRP CE3 . 11597 1 116 . 1 1 15 15 TRP CZ2 C 13 115.861 0.300 . 1 . . . A 8 TRP CZ2 . 11597 1 117 . 1 1 15 15 TRP CZ3 C 13 120.660 0.300 . 1 . . . A 8 TRP CZ3 . 11597 1 118 . 1 1 15 15 TRP CH2 C 13 125.373 0.300 . 1 . . . A 8 TRP CH2 . 11597 1 119 . 1 1 15 15 TRP N N 15 106.534 0.300 . 1 . . . A 8 TRP N . 11597 1 120 . 1 1 15 15 TRP NE1 N 15 133.138 0.300 . 1 . . . A 8 TRP NE1 . 11597 1 121 . 1 1 16 16 TYR H H 1 7.698 0.030 . 1 . . . A 9 TYR H . 11597 1 122 . 1 1 16 16 TYR HA H 1 5.421 0.030 . 1 . . . A 9 TYR HA . 11597 1 123 . 1 1 16 16 TYR HB2 H 1 2.688 0.030 . 1 . . . A 9 TYR HB2 . 11597 1 124 . 1 1 16 16 TYR HB3 H 1 2.895 0.030 . 1 . . . A 9 TYR HB3 . 11597 1 125 . 1 1 16 16 TYR HD1 H 1 7.125 0.030 . 1 . . . A 9 TYR HD1 . 11597 1 126 . 1 1 16 16 TYR HD2 H 1 7.125 0.030 . 1 . . . A 9 TYR HD2 . 11597 1 127 . 1 1 16 16 TYR HE1 H 1 7.018 0.030 . 1 . . . A 9 TYR HE1 . 11597 1 128 . 1 1 16 16 TYR HE2 H 1 7.018 0.030 . 1 . . . A 9 TYR HE2 . 11597 1 129 . 1 1 16 16 TYR C C 13 174.865 0.300 . 1 . . . A 9 TYR C . 11597 1 130 . 1 1 16 16 TYR CA C 13 57.631 0.300 . 1 . . . A 9 TYR CA . 11597 1 131 . 1 1 16 16 TYR CB C 13 37.581 0.300 . 1 . . . A 9 TYR CB . 11597 1 132 . 1 1 16 16 TYR CD1 C 13 132.929 0.300 . 1 . . . A 9 TYR CD1 . 11597 1 133 . 1 1 16 16 TYR CD2 C 13 132.929 0.300 . 1 . . . A 9 TYR CD2 . 11597 1 134 . 1 1 16 16 TYR CE1 C 13 119.185 0.300 . 1 . . . A 9 TYR CE1 . 11597 1 135 . 1 1 16 16 TYR CE2 C 13 119.185 0.300 . 1 . . . A 9 TYR CE2 . 11597 1 136 . 1 1 16 16 TYR N N 15 123.710 0.300 . 1 . . . A 9 TYR N . 11597 1 137 . 1 1 17 17 HIS H H 1 9.333 0.030 . 1 . . . A 10 HIS H . 11597 1 138 . 1 1 17 17 HIS HA H 1 4.425 0.030 . 1 . . . A 10 HIS HA . 11597 1 139 . 1 1 17 17 HIS HB2 H 1 2.674 0.030 . 1 . . . A 10 HIS HB2 . 11597 1 140 . 1 1 17 17 HIS HB3 H 1 3.453 0.030 . 1 . . . A 10 HIS HB3 . 11597 1 141 . 1 1 17 17 HIS HD2 H 1 7.077 0.030 . 1 . . . A 10 HIS HD2 . 11597 1 142 . 1 1 17 17 HIS HE1 H 1 7.350 0.030 . 1 . . . A 10 HIS HE1 . 11597 1 143 . 1 1 17 17 HIS C C 13 174.794 0.300 . 1 . . . A 10 HIS C . 11597 1 144 . 1 1 17 17 HIS CA C 13 56.080 0.300 . 1 . . . A 10 HIS CA . 11597 1 145 . 1 1 17 17 HIS CB C 13 33.239 0.300 . 1 . . . A 10 HIS CB . 11597 1 146 . 1 1 17 17 HIS CD2 C 13 116.810 0.300 . 1 . . . A 10 HIS CD2 . 11597 1 147 . 1 1 17 17 HIS CE1 C 13 136.964 0.300 . 1 . . . A 10 HIS CE1 . 11597 1 148 . 1 1 17 17 HIS N N 15 128.420 0.300 . 1 . . . A 10 HIS N . 11597 1 149 . 1 1 18 18 GLY H H 1 5.637 0.030 . 1 . . . A 11 GLY H . 11597 1 150 . 1 1 18 18 GLY HA2 H 1 3.463 0.030 . 1 . . . A 11 GLY HA2 . 11597 1 151 . 1 1 18 18 GLY HA3 H 1 3.977 0.030 . 1 . . . A 11 GLY HA3 . 11597 1 152 . 1 1 18 18 GLY C C 13 173.828 0.300 . 1 . . . A 11 GLY C . 11597 1 153 . 1 1 18 18 GLY CA C 13 46.167 0.300 . 1 . . . A 11 GLY CA . 11597 1 154 . 1 1 18 18 GLY N N 15 105.769 0.300 . 1 . . . A 11 GLY N . 11597 1 155 . 1 1 19 19 PRO HA H 1 4.738 0.030 . 1 . . . A 12 PRO HA . 11597 1 156 . 1 1 19 19 PRO HB2 H 1 2.038 0.030 . 2 . . . A 12 PRO HB2 . 11597 1 157 . 1 1 19 19 PRO HB3 H 1 2.322 0.030 . 2 . . . A 12 PRO HB3 . 11597 1 158 . 1 1 19 19 PRO HG2 H 1 1.930 0.030 . 2 . . . A 12 PRO HG2 . 11597 1 159 . 1 1 19 19 PRO HG3 H 1 2.081 0.030 . 2 . . . A 12 PRO HG3 . 11597 1 160 . 1 1 19 19 PRO HD2 H 1 3.602 0.030 . 2 . . . A 12 PRO HD2 . 11597 1 161 . 1 1 19 19 PRO HD3 H 1 3.784 0.030 . 2 . . . A 12 PRO HD3 . 11597 1 162 . 1 1 19 19 PRO C C 13 175.545 0.300 . 1 . . . A 12 PRO C . 11597 1 163 . 1 1 19 19 PRO CA C 13 63.499 0.300 . 1 . . . A 12 PRO CA . 11597 1 164 . 1 1 19 19 PRO CB C 13 29.444 0.300 . 1 . . . A 12 PRO CB . 11597 1 165 . 1 1 19 19 PRO CG C 13 26.913 0.300 . 1 . . . A 12 PRO CG . 11597 1 166 . 1 1 19 19 PRO CD C 13 50.444 0.300 . 1 . . . A 12 PRO CD . 11597 1 167 . 1 1 20 20 LEU H H 1 7.778 0.030 . 1 . . . A 13 LEU H . 11597 1 168 . 1 1 20 20 LEU HA H 1 4.378 0.030 . 1 . . . A 13 LEU HA . 11597 1 169 . 1 1 20 20 LEU HB2 H 1 1.549 0.030 . 1 . . . A 13 LEU HB2 . 11597 1 170 . 1 1 20 20 LEU HB3 H 1 1.512 0.030 . 1 . . . A 13 LEU HB3 . 11597 1 171 . 1 1 20 20 LEU HG H 1 1.854 0.030 . 1 . . . A 13 LEU HG . 11597 1 172 . 1 1 20 20 LEU HD11 H 1 1.066 0.030 . 1 . . . A 13 LEU HD11 . 11597 1 173 . 1 1 20 20 LEU HD12 H 1 1.066 0.030 . 1 . . . A 13 LEU HD12 . 11597 1 174 . 1 1 20 20 LEU HD13 H 1 1.066 0.030 . 1 . . . A 13 LEU HD13 . 11597 1 175 . 1 1 20 20 LEU HD21 H 1 0.801 0.030 . 1 . . . A 13 LEU HD21 . 11597 1 176 . 1 1 20 20 LEU HD22 H 1 0.801 0.030 . 1 . . . A 13 LEU HD22 . 11597 1 177 . 1 1 20 20 LEU HD23 H 1 0.801 0.030 . 1 . . . A 13 LEU HD23 . 11597 1 178 . 1 1 20 20 LEU C C 13 176.635 0.300 . 1 . . . A 13 LEU C . 11597 1 179 . 1 1 20 20 LEU CA C 13 55.108 0.300 . 1 . . . A 13 LEU CA . 11597 1 180 . 1 1 20 20 LEU CB C 13 44.521 0.300 . 1 . . . A 13 LEU CB . 11597 1 181 . 1 1 20 20 LEU CG C 13 26.605 0.300 . 1 . . . A 13 LEU CG . 11597 1 182 . 1 1 20 20 LEU CD1 C 13 25.053 0.300 . 1 . . . A 13 LEU CD1 . 11597 1 183 . 1 1 20 20 LEU CD2 C 13 26.650 0.300 . 1 . . . A 13 LEU CD2 . 11597 1 184 . 1 1 20 20 LEU N N 15 126.678 0.300 . 1 . . . A 13 LEU N . 11597 1 185 . 1 1 21 21 SER H H 1 9.427 0.030 . 1 . . . A 14 SER H . 11597 1 186 . 1 1 21 21 SER HA H 1 4.382 0.030 . 1 . . . A 14 SER HA . 11597 1 187 . 1 1 21 21 SER HB2 H 1 4.134 0.030 . 2 . . . A 14 SER HB2 . 11597 1 188 . 1 1 21 21 SER HB3 H 1 4.382 0.030 . 2 . . . A 14 SER HB3 . 11597 1 189 . 1 1 21 21 SER C C 13 174.364 0.300 . 1 . . . A 14 SER C . 11597 1 190 . 1 1 21 21 SER CA C 13 57.816 0.300 . 1 . . . A 14 SER CA . 11597 1 191 . 1 1 21 21 SER CB C 13 65.381 0.300 . 1 . . . A 14 SER CB . 11597 1 192 . 1 1 21 21 SER N N 15 123.692 0.300 . 1 . . . A 14 SER N . 11597 1 193 . 1 1 22 22 ARG H H 1 8.907 0.030 . 1 . . . A 15 ARG H . 11597 1 194 . 1 1 22 22 ARG HA H 1 3.532 0.030 . 1 . . . A 15 ARG HA . 11597 1 195 . 1 1 22 22 ARG HB2 H 1 1.769 0.030 . 1 . . . A 15 ARG HB2 . 11597 1 196 . 1 1 22 22 ARG HB3 H 1 1.769 0.030 . 1 . . . A 15 ARG HB3 . 11597 1 197 . 1 1 22 22 ARG HG2 H 1 0.845 0.030 . 2 . . . A 15 ARG HG2 . 11597 1 198 . 1 1 22 22 ARG HG3 H 1 1.262 0.030 . 2 . . . A 15 ARG HG3 . 11597 1 199 . 1 1 22 22 ARG HD2 H 1 2.955 0.030 . 1 . . . A 15 ARG HD2 . 11597 1 200 . 1 1 22 22 ARG HD3 H 1 2.955 0.030 . 1 . . . A 15 ARG HD3 . 11597 1 201 . 1 1 22 22 ARG C C 13 178.049 0.300 . 1 . . . A 15 ARG C . 11597 1 202 . 1 1 22 22 ARG CA C 13 60.572 0.300 . 1 . . . A 15 ARG CA . 11597 1 203 . 1 1 22 22 ARG CB C 13 29.905 0.300 . 1 . . . A 15 ARG CB . 11597 1 204 . 1 1 22 22 ARG CG C 13 27.497 0.300 . 1 . . . A 15 ARG CG . 11597 1 205 . 1 1 22 22 ARG CD C 13 43.291 0.300 . 1 . . . A 15 ARG CD . 11597 1 206 . 1 1 22 22 ARG N N 15 121.868 0.300 . 1 . . . A 15 ARG N . 11597 1 207 . 1 1 23 23 THR H H 1 8.125 0.030 . 1 . . . A 16 THR H . 11597 1 208 . 1 1 23 23 THR HA H 1 3.936 0.030 . 1 . . . A 16 THR HA . 11597 1 209 . 1 1 23 23 THR HB H 1 4.025 0.030 . 1 . . . A 16 THR HB . 11597 1 210 . 1 1 23 23 THR HG21 H 1 1.243 0.030 . 1 . . . A 16 THR HG21 . 11597 1 211 . 1 1 23 23 THR HG22 H 1 1.243 0.030 . 1 . . . A 16 THR HG22 . 11597 1 212 . 1 1 23 23 THR HG23 H 1 1.243 0.030 . 1 . . . A 16 THR HG23 . 11597 1 213 . 1 1 23 23 THR C C 13 176.224 0.300 . 1 . . . A 16 THR C . 11597 1 214 . 1 1 23 23 THR CA C 13 66.221 0.300 . 1 . . . A 16 THR CA . 11597 1 215 . 1 1 23 23 THR CB C 13 68.829 0.300 . 1 . . . A 16 THR CB . 11597 1 216 . 1 1 23 23 THR CG2 C 13 21.860 0.300 . 1 . . . A 16 THR CG2 . 11597 1 217 . 1 1 23 23 THR N N 15 112.712 0.300 . 1 . . . A 16 THR N . 11597 1 218 . 1 1 24 24 ASP H H 1 7.907 0.030 . 1 . . . A 17 ASP H . 11597 1 219 . 1 1 24 24 ASP HA H 1 4.489 0.030 . 1 . . . A 17 ASP HA . 11597 1 220 . 1 1 24 24 ASP HB2 H 1 2.664 0.030 . 2 . . . A 17 ASP HB2 . 11597 1 221 . 1 1 24 24 ASP HB3 H 1 2.741 0.030 . 2 . . . A 17 ASP HB3 . 11597 1 222 . 1 1 24 24 ASP C C 13 179.444 0.300 . 1 . . . A 17 ASP C . 11597 1 223 . 1 1 24 24 ASP CA C 13 57.633 0.300 . 1 . . . A 17 ASP CA . 11597 1 224 . 1 1 24 24 ASP CB C 13 40.162 0.300 . 1 . . . A 17 ASP CB . 11597 1 225 . 1 1 24 24 ASP N N 15 122.651 0.300 . 1 . . . A 17 ASP N . 11597 1 226 . 1 1 25 25 ALA H H 1 8.603 0.030 . 1 . . . A 18 ALA H . 11597 1 227 . 1 1 25 25 ALA HA H 1 3.874 0.030 . 1 . . . A 18 ALA HA . 11597 1 228 . 1 1 25 25 ALA HB1 H 1 1.469 0.030 . 1 . . . A 18 ALA HB1 . 11597 1 229 . 1 1 25 25 ALA HB2 H 1 1.469 0.030 . 1 . . . A 18 ALA HB2 . 11597 1 230 . 1 1 25 25 ALA HB3 H 1 1.469 0.030 . 1 . . . A 18 ALA HB3 . 11597 1 231 . 1 1 25 25 ALA C C 13 178.925 0.300 . 1 . . . A 18 ALA C . 11597 1 232 . 1 1 25 25 ALA CA C 13 55.559 0.300 . 1 . . . A 18 ALA CA . 11597 1 233 . 1 1 25 25 ALA CB C 13 18.222 0.300 . 1 . . . A 18 ALA CB . 11597 1 234 . 1 1 25 25 ALA N N 15 123.211 0.300 . 1 . . . A 18 ALA N . 11597 1 235 . 1 1 26 26 GLU H H 1 8.546 0.030 . 1 . . . A 19 GLU H . 11597 1 236 . 1 1 26 26 GLU HA H 1 3.971 0.030 . 1 . . . A 19 GLU HA . 11597 1 237 . 1 1 26 26 GLU HB2 H 1 2.272 0.030 . 1 . . . A 19 GLU HB2 . 11597 1 238 . 1 1 26 26 GLU HB3 H 1 2.147 0.030 . 1 . . . A 19 GLU HB3 . 11597 1 239 . 1 1 26 26 GLU HG2 H 1 2.207 0.030 . 1 . . . A 19 GLU HG2 . 11597 1 240 . 1 1 26 26 GLU HG3 H 1 2.845 0.030 . 1 . . . A 19 GLU HG3 . 11597 1 241 . 1 1 26 26 GLU C C 13 177.977 0.300 . 1 . . . A 19 GLU C . 11597 1 242 . 1 1 26 26 GLU CA C 13 60.313 0.300 . 1 . . . A 19 GLU CA . 11597 1 243 . 1 1 26 26 GLU CB C 13 28.606 0.300 . 1 . . . A 19 GLU CB . 11597 1 244 . 1 1 26 26 GLU CG C 13 37.646 0.300 . 1 . . . A 19 GLU CG . 11597 1 245 . 1 1 26 26 GLU N N 15 116.232 0.300 . 1 . . . A 19 GLU N . 11597 1 246 . 1 1 27 27 ASN H H 1 8.409 0.030 . 1 . . . A 20 ASN H . 11597 1 247 . 1 1 27 27 ASN HA H 1 4.469 0.030 . 1 . . . A 20 ASN HA . 11597 1 248 . 1 1 27 27 ASN HB2 H 1 2.850 0.030 . 2 . . . A 20 ASN HB2 . 11597 1 249 . 1 1 27 27 ASN HB3 H 1 2.961 0.030 . 2 . . . A 20 ASN HB3 . 11597 1 250 . 1 1 27 27 ASN HD21 H 1 7.812 0.030 . 2 . . . A 20 ASN HD21 . 11597 1 251 . 1 1 27 27 ASN HD22 H 1 6.896 0.030 . 2 . . . A 20 ASN HD22 . 11597 1 252 . 1 1 27 27 ASN C C 13 178.174 0.300 . 1 . . . A 20 ASN C . 11597 1 253 . 1 1 27 27 ASN CA C 13 55.855 0.300 . 1 . . . A 20 ASN CA . 11597 1 254 . 1 1 27 27 ASN CB C 13 38.189 0.300 . 1 . . . A 20 ASN CB . 11597 1 255 . 1 1 27 27 ASN N N 15 116.085 0.300 . 1 . . . A 20 ASN N . 11597 1 256 . 1 1 27 27 ASN ND2 N 15 112.704 0.300 . 1 . . . A 20 ASN ND2 . 11597 1 257 . 1 1 28 28 SER H H 1 7.902 0.030 . 1 . . . A 21 SER H . 11597 1 258 . 1 1 28 28 SER HA H 1 4.317 0.030 . 1 . . . A 21 SER HA . 11597 1 259 . 1 1 28 28 SER HB2 H 1 3.793 0.030 . 1 . . . A 21 SER HB2 . 11597 1 260 . 1 1 28 28 SER HB3 H 1 3.793 0.030 . 1 . . . A 21 SER HB3 . 11597 1 261 . 1 1 28 28 SER C C 13 175.008 0.300 . 1 . . . A 21 SER C . 11597 1 262 . 1 1 28 28 SER CA C 13 61.630 0.300 . 1 . . . A 21 SER CA . 11597 1 263 . 1 1 28 28 SER CB C 13 63.641 0.300 . 1 . . . A 21 SER CB . 11597 1 264 . 1 1 28 28 SER N N 15 113.665 0.300 . 1 . . . A 21 SER N . 11597 1 265 . 1 1 29 29 LEU H H 1 7.626 0.030 . 1 . . . A 22 LEU H . 11597 1 266 . 1 1 29 29 LEU HA H 1 4.120 0.030 . 1 . . . A 22 LEU HA . 11597 1 267 . 1 1 29 29 LEU HB2 H 1 1.801 0.030 . 1 . . . A 22 LEU HB2 . 11597 1 268 . 1 1 29 29 LEU HB3 H 1 1.187 0.030 . 1 . . . A 22 LEU HB3 . 11597 1 269 . 1 1 29 29 LEU HG H 1 1.546 0.030 . 1 . . . A 22 LEU HG . 11597 1 270 . 1 1 29 29 LEU HD11 H 1 0.629 0.030 . 1 . . . A 22 LEU HD11 . 11597 1 271 . 1 1 29 29 LEU HD12 H 1 0.629 0.030 . 1 . . . A 22 LEU HD12 . 11597 1 272 . 1 1 29 29 LEU HD13 H 1 0.629 0.030 . 1 . . . A 22 LEU HD13 . 11597 1 273 . 1 1 29 29 LEU HD21 H 1 0.579 0.030 . 1 . . . A 22 LEU HD21 . 11597 1 274 . 1 1 29 29 LEU HD22 H 1 0.579 0.030 . 1 . . . A 22 LEU HD22 . 11597 1 275 . 1 1 29 29 LEU HD23 H 1 0.579 0.030 . 1 . . . A 22 LEU HD23 . 11597 1 276 . 1 1 29 29 LEU C C 13 178.156 0.300 . 1 . . . A 22 LEU C . 11597 1 277 . 1 1 29 29 LEU CA C 13 55.902 0.300 . 1 . . . A 22 LEU CA . 11597 1 278 . 1 1 29 29 LEU CB C 13 44.328 0.300 . 1 . . . A 22 LEU CB . 11597 1 279 . 1 1 29 29 LEU CG C 13 27.044 0.300 . 1 . . . A 22 LEU CG . 11597 1 280 . 1 1 29 29 LEU CD1 C 13 23.612 0.300 . 1 . . . A 22 LEU CD1 . 11597 1 281 . 1 1 29 29 LEU CD2 C 13 27.004 0.300 . 1 . . . A 22 LEU CD2 . 11597 1 282 . 1 1 29 29 LEU N N 15 118.503 0.300 . 1 . . . A 22 LEU N . 11597 1 283 . 1 1 30 30 LEU H H 1 7.807 0.030 . 1 . . . A 23 LEU H . 11597 1 284 . 1 1 30 30 LEU HA H 1 3.891 0.030 . 1 . . . A 23 LEU HA . 11597 1 285 . 1 1 30 30 LEU HB2 H 1 1.602 0.030 . 2 . . . A 23 LEU HB2 . 11597 1 286 . 1 1 30 30 LEU HB3 H 1 1.769 0.030 . 2 . . . A 23 LEU HB3 . 11597 1 287 . 1 1 30 30 LEU HG H 1 1.643 0.030 . 1 . . . A 23 LEU HG . 11597 1 288 . 1 1 30 30 LEU HD11 H 1 0.934 0.030 . 1 . . . A 23 LEU HD11 . 11597 1 289 . 1 1 30 30 LEU HD12 H 1 0.934 0.030 . 1 . . . A 23 LEU HD12 . 11597 1 290 . 1 1 30 30 LEU HD13 H 1 0.934 0.030 . 1 . . . A 23 LEU HD13 . 11597 1 291 . 1 1 30 30 LEU HD21 H 1 0.934 0.030 . 1 . . . A 23 LEU HD21 . 11597 1 292 . 1 1 30 30 LEU HD22 H 1 0.934 0.030 . 1 . . . A 23 LEU HD22 . 11597 1 293 . 1 1 30 30 LEU HD23 H 1 0.934 0.030 . 1 . . . A 23 LEU HD23 . 11597 1 294 . 1 1 30 30 LEU C C 13 177.869 0.300 . 1 . . . A 23 LEU C . 11597 1 295 . 1 1 30 30 LEU CA C 13 57.934 0.300 . 1 . . . A 23 LEU CA . 11597 1 296 . 1 1 30 30 LEU CB C 13 42.149 0.300 . 1 . . . A 23 LEU CB . 11597 1 297 . 1 1 30 30 LEU CG C 13 27.098 0.300 . 1 . . . A 23 LEU CG . 11597 1 298 . 1 1 30 30 LEU CD1 C 13 24.302 0.300 . 1 . . . A 23 LEU CD1 . 11597 1 299 . 1 1 30 30 LEU CD2 C 13 24.302 0.300 . 1 . . . A 23 LEU CD2 . 11597 1 300 . 1 1 30 30 LEU N N 15 121.573 0.300 . 1 . . . A 23 LEU N . 11597 1 301 . 1 1 31 31 ARG H H 1 8.216 0.030 . 1 . . . A 24 ARG H . 11597 1 302 . 1 1 31 31 ARG HA H 1 4.204 0.030 . 1 . . . A 24 ARG HA . 11597 1 303 . 1 1 31 31 ARG HB2 H 1 1.868 0.030 . 2 . . . A 24 ARG HB2 . 11597 1 304 . 1 1 31 31 ARG HB3 H 1 2.064 0.030 . 2 . . . A 24 ARG HB3 . 11597 1 305 . 1 1 31 31 ARG HG2 H 1 1.588 0.030 . 1 . . . A 24 ARG HG2 . 11597 1 306 . 1 1 31 31 ARG HG3 H 1 1.588 0.030 . 1 . . . A 24 ARG HG3 . 11597 1 307 . 1 1 31 31 ARG HD2 H 1 3.175 0.030 . 2 . . . A 24 ARG HD2 . 11597 1 308 . 1 1 31 31 ARG HD3 H 1 3.238 0.030 . 2 . . . A 24 ARG HD3 . 11597 1 309 . 1 1 31 31 ARG C C 13 176.475 0.300 . 1 . . . A 24 ARG C . 11597 1 310 . 1 1 31 31 ARG CA C 13 56.232 0.300 . 1 . . . A 24 ARG CA . 11597 1 311 . 1 1 31 31 ARG CB C 13 28.940 0.300 . 1 . . . A 24 ARG CB . 11597 1 312 . 1 1 31 31 ARG CG C 13 27.875 0.300 . 1 . . . A 24 ARG CG . 11597 1 313 . 1 1 31 31 ARG CD C 13 43.272 0.300 . 1 . . . A 24 ARG CD . 11597 1 314 . 1 1 31 31 ARG N N 15 114.707 0.300 . 1 . . . A 24 ARG N . 11597 1 315 . 1 1 32 32 MET H H 1 7.678 0.030 . 1 . . . A 25 MET H . 11597 1 316 . 1 1 32 32 MET HA H 1 5.088 0.030 . 1 . . . A 25 MET HA . 11597 1 317 . 1 1 32 32 MET HB2 H 1 2.102 0.030 . 2 . . . A 25 MET HB2 . 11597 1 318 . 1 1 32 32 MET HB3 H 1 2.189 0.030 . 2 . . . A 25 MET HB3 . 11597 1 319 . 1 1 32 32 MET HG2 H 1 2.601 0.030 . 2 . . . A 25 MET HG2 . 11597 1 320 . 1 1 32 32 MET HG3 H 1 2.795 0.030 . 2 . . . A 25 MET HG3 . 11597 1 321 . 1 1 32 32 MET HE1 H 1 2.166 0.030 . 1 . . . A 25 MET HE1 . 11597 1 322 . 1 1 32 32 MET HE2 H 1 2.166 0.030 . 1 . . . A 25 MET HE2 . 11597 1 323 . 1 1 32 32 MET HE3 H 1 2.166 0.030 . 1 . . . A 25 MET HE3 . 11597 1 324 . 1 1 32 32 MET C C 13 174.972 0.300 . 1 . . . A 25 MET C . 11597 1 325 . 1 1 32 32 MET CA C 13 52.530 0.300 . 1 . . . A 25 MET CA . 11597 1 326 . 1 1 32 32 MET CB C 13 30.359 0.300 . 1 . . . A 25 MET CB . 11597 1 327 . 1 1 32 32 MET CG C 13 33.800 0.300 . 1 . . . A 25 MET CG . 11597 1 328 . 1 1 32 32 MET CE C 13 17.983 0.300 . 1 . . . A 25 MET CE . 11597 1 329 . 1 1 32 32 MET N N 15 118.634 0.300 . 1 . . . A 25 MET N . 11597 1 330 . 1 1 33 33 PRO HA H 1 4.403 0.030 . 1 . . . A 26 PRO HA . 11597 1 331 . 1 1 33 33 PRO HB2 H 1 1.755 0.030 . 1 . . . A 26 PRO HB2 . 11597 1 332 . 1 1 33 33 PRO HB3 H 1 2.422 0.030 . 1 . . . A 26 PRO HB3 . 11597 1 333 . 1 1 33 33 PRO HG2 H 1 2.068 0.030 . 1 . . . A 26 PRO HG2 . 11597 1 334 . 1 1 33 33 PRO HG3 H 1 2.068 0.030 . 1 . . . A 26 PRO HG3 . 11597 1 335 . 1 1 33 33 PRO HD2 H 1 3.603 0.030 . 1 . . . A 26 PRO HD2 . 11597 1 336 . 1 1 33 33 PRO HD3 H 1 3.979 0.030 . 1 . . . A 26 PRO HD3 . 11597 1 337 . 1 1 33 33 PRO C C 13 176.653 0.300 . 1 . . . A 26 PRO C . 11597 1 338 . 1 1 33 33 PRO CA C 13 62.857 0.300 . 1 . . . A 26 PRO CA . 11597 1 339 . 1 1 33 33 PRO CB C 13 32.526 0.300 . 1 . . . A 26 PRO CB . 11597 1 340 . 1 1 33 33 PRO CG C 13 27.728 0.300 . 1 . . . A 26 PRO CG . 11597 1 341 . 1 1 33 33 PRO CD C 13 50.759 0.300 . 1 . . . A 26 PRO CD . 11597 1 342 . 1 1 34 34 GLU H H 1 8.834 0.030 . 1 . . . A 27 GLU H . 11597 1 343 . 1 1 34 34 GLU HA H 1 4.090 0.030 . 1 . . . A 27 GLU HA . 11597 1 344 . 1 1 34 34 GLU HB2 H 1 2.030 0.030 . 2 . . . A 27 GLU HB2 . 11597 1 345 . 1 1 34 34 GLU HB3 H 1 2.155 0.030 . 2 . . . A 27 GLU HB3 . 11597 1 346 . 1 1 34 34 GLU HG2 H 1 2.460 0.030 . 1 . . . A 27 GLU HG2 . 11597 1 347 . 1 1 34 34 GLU HG3 H 1 2.460 0.030 . 1 . . . A 27 GLU HG3 . 11597 1 348 . 1 1 34 34 GLU C C 13 177.369 0.300 . 1 . . . A 27 GLU C . 11597 1 349 . 1 1 34 34 GLU CA C 13 57.989 0.300 . 1 . . . A 27 GLU CA . 11597 1 350 . 1 1 34 34 GLU CB C 13 30.024 0.300 . 1 . . . A 27 GLU CB . 11597 1 351 . 1 1 34 34 GLU CG C 13 36.971 0.300 . 1 . . . A 27 GLU CG . 11597 1 352 . 1 1 34 34 GLU N N 15 125.661 0.300 . 1 . . . A 27 GLU N . 11597 1 353 . 1 1 35 35 GLY H H 1 9.682 0.030 . 1 . . . A 28 GLY H . 11597 1 354 . 1 1 35 35 GLY HA2 H 1 3.793 0.030 . 1 . . . A 28 GLY HA2 . 11597 1 355 . 1 1 35 35 GLY HA3 H 1 4.448 0.030 . 1 . . . A 28 GLY HA3 . 11597 1 356 . 1 1 35 35 GLY C C 13 175.938 0.300 . 1 . . . A 28 GLY C . 11597 1 357 . 1 1 35 35 GLY CA C 13 45.113 0.300 . 1 . . . A 28 GLY CA . 11597 1 358 . 1 1 35 35 GLY N N 15 113.477 0.300 . 1 . . . A 28 GLY N . 11597 1 359 . 1 1 36 36 THR H H 1 8.151 0.030 . 1 . . . A 29 THR H . 11597 1 360 . 1 1 36 36 THR HA H 1 5.700 0.030 . 1 . . . A 29 THR HA . 11597 1 361 . 1 1 36 36 THR HB H 1 3.965 0.030 . 1 . . . A 29 THR HB . 11597 1 362 . 1 1 36 36 THR HG1 H 1 6.551 0.030 . 1 . . . A 29 THR HG1 . 11597 1 363 . 1 1 36 36 THR HG21 H 1 1.226 0.030 . 1 . . . A 29 THR HG21 . 11597 1 364 . 1 1 36 36 THR HG22 H 1 1.226 0.030 . 1 . . . A 29 THR HG22 . 11597 1 365 . 1 1 36 36 THR HG23 H 1 1.226 0.030 . 1 . . . A 29 THR HG23 . 11597 1 366 . 1 1 36 36 THR C C 13 174.203 0.300 . 1 . . . A 29 THR C . 11597 1 367 . 1 1 36 36 THR CA C 13 63.846 0.300 . 1 . . . A 29 THR CA . 11597 1 368 . 1 1 36 36 THR CB C 13 68.368 0.300 . 1 . . . A 29 THR CB . 11597 1 369 . 1 1 36 36 THR CG2 C 13 21.887 0.300 . 1 . . . A 29 THR CG2 . 11597 1 370 . 1 1 36 36 THR N N 15 122.155 0.300 . 1 . . . A 29 THR N . 11597 1 371 . 1 1 37 37 PHE H H 1 8.195 0.030 . 1 . . . A 30 PHE H . 11597 1 372 . 1 1 37 37 PHE HA H 1 5.975 0.030 . 1 . . . A 30 PHE HA . 11597 1 373 . 1 1 37 37 PHE HB2 H 1 3.123 0.030 . 1 . . . A 30 PHE HB2 . 11597 1 374 . 1 1 37 37 PHE HB3 H 1 2.872 0.030 . 1 . . . A 30 PHE HB3 . 11597 1 375 . 1 1 37 37 PHE HD1 H 1 6.648 0.030 . 1 . . . A 30 PHE HD1 . 11597 1 376 . 1 1 37 37 PHE HD2 H 1 7.563 0.030 . 1 . . . A 30 PHE HD2 . 11597 1 377 . 1 1 37 37 PHE HE1 H 1 6.764 0.030 . 1 . . . A 30 PHE HE1 . 11597 1 378 . 1 1 37 37 PHE HE2 H 1 6.541 0.030 . 1 . . . A 30 PHE HE2 . 11597 1 379 . 1 1 37 37 PHE HZ H 1 6.929 0.030 . 1 . . . A 30 PHE HZ . 11597 1 380 . 1 1 37 37 PHE C C 13 171.681 0.300 . 1 . . . A 30 PHE C . 11597 1 381 . 1 1 37 37 PHE CA C 13 55.833 0.300 . 1 . . . A 30 PHE CA . 11597 1 382 . 1 1 37 37 PHE CB C 13 44.924 0.300 . 1 . . . A 30 PHE CB . 11597 1 383 . 1 1 37 37 PHE CZ C 13 129.225 0.300 . 1 . . . A 30 PHE CZ . 11597 1 384 . 1 1 37 37 PHE N N 15 122.249 0.300 . 1 . . . A 30 PHE N . 11597 1 385 . 1 1 38 38 LEU H H 1 9.304 0.030 . 1 . . . A 31 LEU H . 11597 1 386 . 1 1 38 38 LEU HA H 1 4.930 0.030 . 1 . . . A 31 LEU HA . 11597 1 387 . 1 1 38 38 LEU HB2 H 1 1.620 0.030 . 1 . . . A 31 LEU HB2 . 11597 1 388 . 1 1 38 38 LEU HB3 H 1 1.497 0.030 . 1 . . . A 31 LEU HB3 . 11597 1 389 . 1 1 38 38 LEU HG H 1 1.772 0.030 . 1 . . . A 31 LEU HG . 11597 1 390 . 1 1 38 38 LEU HD11 H 1 0.786 0.030 . 1 . . . A 31 LEU HD11 . 11597 1 391 . 1 1 38 38 LEU HD12 H 1 0.786 0.030 . 1 . . . A 31 LEU HD12 . 11597 1 392 . 1 1 38 38 LEU HD13 H 1 0.786 0.030 . 1 . . . A 31 LEU HD13 . 11597 1 393 . 1 1 38 38 LEU HD21 H 1 0.417 0.030 . 1 . . . A 31 LEU HD21 . 11597 1 394 . 1 1 38 38 LEU HD22 H 1 0.417 0.030 . 1 . . . A 31 LEU HD22 . 11597 1 395 . 1 1 38 38 LEU HD23 H 1 0.417 0.030 . 1 . . . A 31 LEU HD23 . 11597 1 396 . 1 1 38 38 LEU C C 13 174.060 0.300 . 1 . . . A 31 LEU C . 11597 1 397 . 1 1 38 38 LEU CA C 13 54.316 0.300 . 1 . . . A 31 LEU CA . 11597 1 398 . 1 1 38 38 LEU CB C 13 45.002 0.300 . 1 . . . A 31 LEU CB . 11597 1 399 . 1 1 38 38 LEU CG C 13 25.272 0.300 . 1 . . . A 31 LEU CG . 11597 1 400 . 1 1 38 38 LEU CD1 C 13 25.873 0.300 . 1 . . . A 31 LEU CD1 . 11597 1 401 . 1 1 38 38 LEU CD2 C 13 28.380 0.300 . 1 . . . A 31 LEU CD2 . 11597 1 402 . 1 1 38 38 LEU N N 15 114.936 0.300 . 1 . . . A 31 LEU N . 11597 1 403 . 1 1 39 39 VAL H H 1 9.523 0.030 . 1 . . . A 32 VAL H . 11597 1 404 . 1 1 39 39 VAL HA H 1 5.504 0.030 . 1 . . . A 32 VAL HA . 11597 1 405 . 1 1 39 39 VAL HB H 1 2.500 0.030 . 1 . . . A 32 VAL HB . 11597 1 406 . 1 1 39 39 VAL HG11 H 1 1.254 0.030 . 1 . . . A 32 VAL HG11 . 11597 1 407 . 1 1 39 39 VAL HG12 H 1 1.254 0.030 . 1 . . . A 32 VAL HG12 . 11597 1 408 . 1 1 39 39 VAL HG13 H 1 1.254 0.030 . 1 . . . A 32 VAL HG13 . 11597 1 409 . 1 1 39 39 VAL HG21 H 1 1.033 0.030 . 1 . . . A 32 VAL HG21 . 11597 1 410 . 1 1 39 39 VAL HG22 H 1 1.033 0.030 . 1 . . . A 32 VAL HG22 . 11597 1 411 . 1 1 39 39 VAL HG23 H 1 1.033 0.030 . 1 . . . A 32 VAL HG23 . 11597 1 412 . 1 1 39 39 VAL C C 13 173.470 0.300 . 1 . . . A 32 VAL C . 11597 1 413 . 1 1 39 39 VAL CA C 13 61.336 0.300 . 1 . . . A 32 VAL CA . 11597 1 414 . 1 1 39 39 VAL CB C 13 34.551 0.300 . 1 . . . A 32 VAL CB . 11597 1 415 . 1 1 39 39 VAL CG1 C 13 22.901 0.300 . 1 . . . A 32 VAL CG1 . 11597 1 416 . 1 1 39 39 VAL CG2 C 13 23.854 0.300 . 1 . . . A 32 VAL CG2 . 11597 1 417 . 1 1 39 39 VAL N N 15 120.262 0.300 . 1 . . . A 32 VAL N . 11597 1 418 . 1 1 40 40 ARG H H 1 9.710 0.030 . 1 . . . A 33 ARG H . 11597 1 419 . 1 1 40 40 ARG HA H 1 5.646 0.030 . 1 . . . A 33 ARG HA . 11597 1 420 . 1 1 40 40 ARG HB2 H 1 2.466 0.030 . 2 . . . A 33 ARG HB2 . 11597 1 421 . 1 1 40 40 ARG HB3 H 1 1.369 0.030 . 2 . . . A 33 ARG HB3 . 11597 1 422 . 1 1 40 40 ARG HG2 H 1 1.669 0.030 . 2 . . . A 33 ARG HG2 . 11597 1 423 . 1 1 40 40 ARG HG3 H 1 1.805 0.030 . 2 . . . A 33 ARG HG3 . 11597 1 424 . 1 1 40 40 ARG HD2 H 1 3.497 0.030 . 2 . . . A 33 ARG HD2 . 11597 1 425 . 1 1 40 40 ARG HD3 H 1 2.502 0.030 . 2 . . . A 33 ARG HD3 . 11597 1 426 . 1 1 40 40 ARG HE H 1 7.137 0.030 . 1 . . . A 33 ARG HE . 11597 1 427 . 1 1 40 40 ARG C C 13 174.793 0.300 . 1 . . . A 33 ARG C . 11597 1 428 . 1 1 40 40 ARG CA C 13 52.084 0.300 . 1 . . . A 33 ARG CA . 11597 1 429 . 1 1 40 40 ARG CB C 13 34.682 0.300 . 1 . . . A 33 ARG CB . 11597 1 430 . 1 1 40 40 ARG CG C 13 26.333 0.300 . 1 . . . A 33 ARG CG . 11597 1 431 . 1 1 40 40 ARG CD C 13 44.115 0.300 . 1 . . . A 33 ARG CD . 11597 1 432 . 1 1 40 40 ARG N N 15 124.606 0.300 . 1 . . . A 33 ARG N . 11597 1 433 . 1 1 40 40 ARG NE N 15 83.740 0.300 . 1 . . . A 33 ARG NE . 11597 1 434 . 1 1 41 41 ASP H H 1 8.647 0.030 . 1 . . . A 34 ASP H . 11597 1 435 . 1 1 41 41 ASP HA H 1 4.755 0.030 . 1 . . . A 34 ASP HA . 11597 1 436 . 1 1 41 41 ASP HB2 H 1 2.748 0.030 . 1 . . . A 34 ASP HB2 . 11597 1 437 . 1 1 41 41 ASP HB3 H 1 2.300 0.030 . 1 . . . A 34 ASP HB3 . 11597 1 438 . 1 1 41 41 ASP C C 13 176.457 0.300 . 1 . . . A 34 ASP C . 11597 1 439 . 1 1 41 41 ASP CA C 13 55.406 0.300 . 1 . . . A 34 ASP CA . 11597 1 440 . 1 1 41 41 ASP CB C 13 40.923 0.300 . 1 . . . A 34 ASP CB . 11597 1 441 . 1 1 41 41 ASP N N 15 122.814 0.300 . 1 . . . A 34 ASP N . 11597 1 442 . 1 1 42 42 SER H H 1 8.012 0.030 . 1 . . . A 35 SER H . 11597 1 443 . 1 1 42 42 SER HA H 1 4.362 0.030 . 1 . . . A 35 SER HA . 11597 1 444 . 1 1 42 42 SER HB2 H 1 3.801 0.030 . 2 . . . A 35 SER HB2 . 11597 1 445 . 1 1 42 42 SER HB3 H 1 3.506 0.030 . 2 . . . A 35 SER HB3 . 11597 1 446 . 1 1 42 42 SER C C 13 176.475 0.300 . 1 . . . A 35 SER C . 11597 1 447 . 1 1 42 42 SER CA C 13 57.877 0.300 . 1 . . . A 35 SER CA . 11597 1 448 . 1 1 42 42 SER CB C 13 63.170 0.300 . 1 . . . A 35 SER CB . 11597 1 449 . 1 1 42 42 SER N N 15 114.649 0.300 . 1 . . . A 35 SER N . 11597 1 450 . 1 1 43 43 THR HA H 1 4.292 0.030 . 1 . . . A 36 THR HA . 11597 1 451 . 1 1 43 43 THR HB H 1 4.345 0.030 . 1 . . . A 36 THR HB . 11597 1 452 . 1 1 43 43 THR HG21 H 1 1.229 0.030 . 1 . . . A 36 THR HG21 . 11597 1 453 . 1 1 43 43 THR HG22 H 1 1.229 0.030 . 1 . . . A 36 THR HG22 . 11597 1 454 . 1 1 43 43 THR HG23 H 1 1.229 0.030 . 1 . . . A 36 THR HG23 . 11597 1 455 . 1 1 43 43 THR CA C 13 63.235 0.300 . 1 . . . A 36 THR CA . 11597 1 456 . 1 1 43 43 THR CB C 13 68.998 0.300 . 1 . . . A 36 THR CB . 11597 1 457 . 1 1 43 43 THR CG2 C 13 22.069 0.300 . 1 . . . A 36 THR CG2 . 11597 1 458 . 1 1 44 44 SER HA H 1 4.470 0.030 . 1 . . . A 37 SER HA . 11597 1 459 . 1 1 44 44 SER HB2 H 1 3.810 0.030 . 1 . . . A 37 SER HB2 . 11597 1 460 . 1 1 44 44 SER HB3 H 1 3.810 0.030 . 1 . . . A 37 SER HB3 . 11597 1 461 . 1 1 44 44 SER C C 13 174.686 0.300 . 1 . . . A 37 SER C . 11597 1 462 . 1 1 44 44 SER CA C 13 59.203 0.300 . 1 . . . A 37 SER CA . 11597 1 463 . 1 1 44 44 SER CB C 13 63.831 0.300 . 1 . . . A 37 SER CB . 11597 1 464 . 1 1 45 45 SER H H 1 7.619 0.030 . 1 . . . A 38 SER H . 11597 1 465 . 1 1 45 45 SER HA H 1 4.820 0.030 . 1 . . . A 38 SER HA . 11597 1 466 . 1 1 45 45 SER HB2 H 1 3.510 0.030 . 2 . . . A 38 SER HB2 . 11597 1 467 . 1 1 45 45 SER HB3 H 1 3.952 0.030 . 2 . . . A 38 SER HB3 . 11597 1 468 . 1 1 45 45 SER C C 13 170.537 0.300 . 1 . . . A 38 SER C . 11597 1 469 . 1 1 45 45 SER CA C 13 54.427 0.300 . 1 . . . A 38 SER CA . 11597 1 470 . 1 1 45 45 SER CB C 13 63.020 0.300 . 1 . . . A 38 SER CB . 11597 1 471 . 1 1 45 45 SER N N 15 117.812 0.300 . 1 . . . A 38 SER N . 11597 1 472 . 1 1 46 46 PRO HA H 1 4.270 0.030 . 1 . . . A 39 PRO HA . 11597 1 473 . 1 1 46 46 PRO HB2 H 1 1.892 0.030 . 1 . . . A 39 PRO HB2 . 11597 1 474 . 1 1 46 46 PRO HB3 H 1 2.288 0.030 . 1 . . . A 39 PRO HB3 . 11597 1 475 . 1 1 46 46 PRO HG2 H 1 2.108 0.030 . 1 . . . A 39 PRO HG2 . 11597 1 476 . 1 1 46 46 PRO HG3 H 1 1.919 0.030 . 1 . . . A 39 PRO HG3 . 11597 1 477 . 1 1 46 46 PRO HD2 H 1 3.650 0.030 . 1 . . . A 39 PRO HD2 . 11597 1 478 . 1 1 46 46 PRO HD3 H 1 3.516 0.030 . 1 . . . A 39 PRO HD3 . 11597 1 479 . 1 1 46 46 PRO C C 13 177.655 0.300 . 1 . . . A 39 PRO C . 11597 1 480 . 1 1 46 46 PRO CA C 13 64.187 0.300 . 1 . . . A 39 PRO CA . 11597 1 481 . 1 1 46 46 PRO CB C 13 31.625 0.300 . 1 . . . A 39 PRO CB . 11597 1 482 . 1 1 46 46 PRO CG C 13 27.565 0.300 . 1 . . . A 39 PRO CG . 11597 1 483 . 1 1 46 46 PRO CD C 13 50.468 0.300 . 1 . . . A 39 PRO CD . 11597 1 484 . 1 1 47 47 GLY H H 1 8.781 0.030 . 1 . . . A 40 GLY H . 11597 1 485 . 1 1 47 47 GLY HA2 H 1 3.506 0.030 . 1 . . . A 40 GLY HA2 . 11597 1 486 . 1 1 47 47 GLY HA3 H 1 4.321 0.030 . 1 . . . A 40 GLY HA3 . 11597 1 487 . 1 1 47 47 GLY C C 13 172.254 0.300 . 1 . . . A 40 GLY C . 11597 1 488 . 1 1 47 47 GLY CA C 13 45.010 0.300 . 1 . . . A 40 GLY CA . 11597 1 489 . 1 1 47 47 GLY N N 15 115.106 0.300 . 1 . . . A 40 GLY N . 11597 1 490 . 1 1 48 48 ASP H H 1 7.708 0.030 . 1 . . . A 41 ASP H . 11597 1 491 . 1 1 48 48 ASP HA H 1 5.163 0.030 . 1 . . . A 41 ASP HA . 11597 1 492 . 1 1 48 48 ASP HB2 H 1 3.024 0.030 . 1 . . . A 41 ASP HB2 . 11597 1 493 . 1 1 48 48 ASP HB3 H 1 3.024 0.030 . 1 . . . A 41 ASP HB3 . 11597 1 494 . 1 1 48 48 ASP C C 13 176.332 0.300 . 1 . . . A 41 ASP C . 11597 1 495 . 1 1 48 48 ASP CA C 13 52.966 0.300 . 1 . . . A 41 ASP CA . 11597 1 496 . 1 1 48 48 ASP CB C 13 42.084 0.300 . 1 . . . A 41 ASP CB . 11597 1 497 . 1 1 48 48 ASP N N 15 117.309 0.300 . 1 . . . A 41 ASP N . 11597 1 498 . 1 1 49 49 TYR H H 1 8.984 0.030 . 1 . . . A 42 TYR H . 11597 1 499 . 1 1 49 49 TYR HA H 1 5.438 0.030 . 1 . . . A 42 TYR HA . 11597 1 500 . 1 1 49 49 TYR HB2 H 1 2.808 0.030 . 1 . . . A 42 TYR HB2 . 11597 1 501 . 1 1 49 49 TYR HB3 H 1 3.248 0.030 . 1 . . . A 42 TYR HB3 . 11597 1 502 . 1 1 49 49 TYR HD1 H 1 7.044 0.030 . 1 . . . A 42 TYR HD1 . 11597 1 503 . 1 1 49 49 TYR HD2 H 1 7.044 0.030 . 1 . . . A 42 TYR HD2 . 11597 1 504 . 1 1 49 49 TYR HE1 H 1 6.838 0.030 . 1 . . . A 42 TYR HE1 . 11597 1 505 . 1 1 49 49 TYR HE2 H 1 6.838 0.030 . 1 . . . A 42 TYR HE2 . 11597 1 506 . 1 1 49 49 TYR C C 13 174.668 0.300 . 1 . . . A 42 TYR C . 11597 1 507 . 1 1 49 49 TYR CA C 13 56.995 0.300 . 1 . . . A 42 TYR CA . 11597 1 508 . 1 1 49 49 TYR CB C 13 43.508 0.300 . 1 . . . A 42 TYR CB . 11597 1 509 . 1 1 49 49 TYR CD1 C 13 133.475 0.300 . 1 . . . A 42 TYR CD1 . 11597 1 510 . 1 1 49 49 TYR CD2 C 13 133.475 0.300 . 1 . . . A 42 TYR CD2 . 11597 1 511 . 1 1 49 49 TYR CE1 C 13 118.875 0.300 . 1 . . . A 42 TYR CE1 . 11597 1 512 . 1 1 49 49 TYR CE2 C 13 118.875 0.300 . 1 . . . A 42 TYR CE2 . 11597 1 513 . 1 1 49 49 TYR N N 15 117.153 0.300 . 1 . . . A 42 TYR N . 11597 1 514 . 1 1 50 50 VAL H H 1 9.862 0.030 . 1 . . . A 43 VAL H . 11597 1 515 . 1 1 50 50 VAL HA H 1 4.881 0.030 . 1 . . . A 43 VAL HA . 11597 1 516 . 1 1 50 50 VAL HB H 1 1.823 0.030 . 1 . . . A 43 VAL HB . 11597 1 517 . 1 1 50 50 VAL HG11 H 1 1.085 0.030 . 1 . . . A 43 VAL HG11 . 11597 1 518 . 1 1 50 50 VAL HG12 H 1 1.085 0.030 . 1 . . . A 43 VAL HG12 . 11597 1 519 . 1 1 50 50 VAL HG13 H 1 1.085 0.030 . 1 . . . A 43 VAL HG13 . 11597 1 520 . 1 1 50 50 VAL HG21 H 1 0.910 0.030 . 1 . . . A 43 VAL HG21 . 11597 1 521 . 1 1 50 50 VAL HG22 H 1 0.910 0.030 . 1 . . . A 43 VAL HG22 . 11597 1 522 . 1 1 50 50 VAL HG23 H 1 0.910 0.030 . 1 . . . A 43 VAL HG23 . 11597 1 523 . 1 1 50 50 VAL C C 13 174.060 0.300 . 1 . . . A 43 VAL C . 11597 1 524 . 1 1 50 50 VAL CA C 13 61.814 0.300 . 1 . . . A 43 VAL CA . 11597 1 525 . 1 1 50 50 VAL CB C 13 35.539 0.300 . 1 . . . A 43 VAL CB . 11597 1 526 . 1 1 50 50 VAL CG1 C 13 22.682 0.300 . 1 . . . A 43 VAL CG1 . 11597 1 527 . 1 1 50 50 VAL CG2 C 13 21.496 0.300 . 1 . . . A 43 VAL CG2 . 11597 1 528 . 1 1 50 50 VAL N N 15 122.183 0.300 . 1 . . . A 43 VAL N . 11597 1 529 . 1 1 51 51 LEU H H 1 9.488 0.030 . 1 . . . A 44 LEU H . 11597 1 530 . 1 1 51 51 LEU HA H 1 5.269 0.030 . 1 . . . A 44 LEU HA . 11597 1 531 . 1 1 51 51 LEU HB2 H 1 1.346 0.030 . 1 . . . A 44 LEU HB2 . 11597 1 532 . 1 1 51 51 LEU HB3 H 1 2.093 0.030 . 1 . . . A 44 LEU HB3 . 11597 1 533 . 1 1 51 51 LEU HG H 1 1.552 0.030 . 1 . . . A 44 LEU HG . 11597 1 534 . 1 1 51 51 LEU HD11 H 1 0.725 0.030 . 1 . . . A 44 LEU HD11 . 11597 1 535 . 1 1 51 51 LEU HD12 H 1 0.725 0.030 . 1 . . . A 44 LEU HD12 . 11597 1 536 . 1 1 51 51 LEU HD13 H 1 0.725 0.030 . 1 . . . A 44 LEU HD13 . 11597 1 537 . 1 1 51 51 LEU HD21 H 1 0.444 0.030 . 1 . . . A 44 LEU HD21 . 11597 1 538 . 1 1 51 51 LEU HD22 H 1 0.444 0.030 . 1 . . . A 44 LEU HD22 . 11597 1 539 . 1 1 51 51 LEU HD23 H 1 0.444 0.030 . 1 . . . A 44 LEU HD23 . 11597 1 540 . 1 1 51 51 LEU C C 13 174.990 0.300 . 1 . . . A 44 LEU C . 11597 1 541 . 1 1 51 51 LEU CA C 13 53.578 0.300 . 1 . . . A 44 LEU CA . 11597 1 542 . 1 1 51 51 LEU CB C 13 45.164 0.300 . 1 . . . A 44 LEU CB . 11597 1 543 . 1 1 51 51 LEU CG C 13 27.652 0.300 . 1 . . . A 44 LEU CG . 11597 1 544 . 1 1 51 51 LEU CD1 C 13 24.727 0.300 . 1 . . . A 44 LEU CD1 . 11597 1 545 . 1 1 51 51 LEU CD2 C 13 25.913 0.300 . 1 . . . A 44 LEU CD2 . 11597 1 546 . 1 1 51 51 LEU N N 15 130.637 0.300 . 1 . . . A 44 LEU N . 11597 1 547 . 1 1 52 52 SER H H 1 9.425 0.030 . 1 . . . A 45 SER H . 11597 1 548 . 1 1 52 52 SER HA H 1 6.014 0.030 . 1 . . . A 45 SER HA . 11597 1 549 . 1 1 52 52 SER HB2 H 1 3.376 0.030 . 1 . . . A 45 SER HB2 . 11597 1 550 . 1 1 52 52 SER HB3 H 1 3.641 0.030 . 1 . . . A 45 SER HB3 . 11597 1 551 . 1 1 52 52 SER HG H 1 7.733 0.030 . 1 . . . A 45 SER HG . 11597 1 552 . 1 1 52 52 SER C C 13 172.987 0.300 . 1 . . . A 45 SER C . 11597 1 553 . 1 1 52 52 SER CA C 13 58.485 0.300 . 1 . . . A 45 SER CA . 11597 1 554 . 1 1 52 52 SER CB C 13 65.709 0.300 . 1 . . . A 45 SER CB . 11597 1 555 . 1 1 52 52 SER N N 15 125.802 0.300 . 1 . . . A 45 SER N . 11597 1 556 . 1 1 53 53 CYS H H 1 9.013 0.030 . 1 . . . A 46 CYS H . 11597 1 557 . 1 1 53 53 CYS HA H 1 5.434 0.030 . 1 . . . A 46 CYS HA . 11597 1 558 . 1 1 53 53 CYS HB2 H 1 2.771 0.030 . 2 . . . A 46 CYS HB2 . 11597 1 559 . 1 1 53 53 CYS HB3 H 1 2.865 0.030 . 2 . . . A 46 CYS HB3 . 11597 1 560 . 1 1 53 53 CYS C C 13 172.969 0.300 . 1 . . . A 46 CYS C . 11597 1 561 . 1 1 53 53 CYS CA C 13 56.436 0.300 . 1 . . . A 46 CYS CA . 11597 1 562 . 1 1 53 53 CYS CB C 13 31.472 0.300 . 1 . . . A 46 CYS CB . 11597 1 563 . 1 1 53 53 CYS N N 15 121.287 0.300 . 1 . . . A 46 CYS N . 11597 1 564 . 1 1 54 54 SER H H 1 8.657 0.030 . 1 . . . A 47 SER H . 11597 1 565 . 1 1 54 54 SER HA H 1 4.979 0.030 . 1 . . . A 47 SER HA . 11597 1 566 . 1 1 54 54 SER HB2 H 1 4.119 0.030 . 1 . . . A 47 SER HB2 . 11597 1 567 . 1 1 54 54 SER HB3 H 1 3.912 0.030 . 1 . . . A 47 SER HB3 . 11597 1 568 . 1 1 54 54 SER HG H 1 4.494 0.030 . 1 . . . A 47 SER HG . 11597 1 569 . 1 1 54 54 SER C C 13 174.078 0.300 . 1 . . . A 47 SER C . 11597 1 570 . 1 1 54 54 SER CA C 13 56.157 0.300 . 1 . . . A 47 SER CA . 11597 1 571 . 1 1 54 54 SER CB C 13 63.292 0.300 . 1 . . . A 47 SER CB . 11597 1 572 . 1 1 54 54 SER N N 15 117.863 0.300 . 1 . . . A 47 SER N . 11597 1 573 . 1 1 55 55 GLU H H 1 8.717 0.030 . 1 . . . A 48 GLU H . 11597 1 574 . 1 1 55 55 GLU HA H 1 4.689 0.030 . 1 . . . A 48 GLU HA . 11597 1 575 . 1 1 55 55 GLU HB2 H 1 1.983 0.030 . 2 . . . A 48 GLU HB2 . 11597 1 576 . 1 1 55 55 GLU HB3 H 1 2.036 0.030 . 2 . . . A 48 GLU HB3 . 11597 1 577 . 1 1 55 55 GLU HG2 H 1 2.184 0.030 . 2 . . . A 48 GLU HG2 . 11597 1 578 . 1 1 55 55 GLU HG3 H 1 2.384 0.030 . 2 . . . A 48 GLU HG3 . 11597 1 579 . 1 1 55 55 GLU C C 13 175.223 0.300 . 1 . . . A 48 GLU C . 11597 1 580 . 1 1 55 55 GLU CA C 13 56.700 0.300 . 1 . . . A 48 GLU CA . 11597 1 581 . 1 1 55 55 GLU CB C 13 35.372 0.300 . 1 . . . A 48 GLU CB . 11597 1 582 . 1 1 55 55 GLU CG C 13 39.525 0.300 . 1 . . . A 48 GLU CG . 11597 1 583 . 1 1 55 55 GLU N N 15 129.358 0.300 . 1 . . . A 48 GLU N . 11597 1 584 . 1 1 56 56 ASN H H 1 10.147 0.030 . 1 . . . A 49 ASN H . 11597 1 585 . 1 1 56 56 ASN HA H 1 4.123 0.030 . 1 . . . A 49 ASN HA . 11597 1 586 . 1 1 56 56 ASN HB2 H 1 1.165 0.030 . 2 . . . A 49 ASN HB2 . 11597 1 587 . 1 1 56 56 ASN HB3 H 1 2.430 0.030 . 2 . . . A 49 ASN HB3 . 11597 1 588 . 1 1 56 56 ASN HD21 H 1 6.809 0.030 . 2 . . . A 49 ASN HD21 . 11597 1 589 . 1 1 56 56 ASN HD22 H 1 6.571 0.030 . 2 . . . A 49 ASN HD22 . 11597 1 590 . 1 1 56 56 ASN C C 13 175.205 0.300 . 1 . . . A 49 ASN C . 11597 1 591 . 1 1 56 56 ASN CA C 13 53.777 0.300 . 1 . . . A 49 ASN CA . 11597 1 592 . 1 1 56 56 ASN CB C 13 38.633 0.300 . 1 . . . A 49 ASN CB . 11597 1 593 . 1 1 56 56 ASN N N 15 124.297 0.300 . 1 . . . A 49 ASN N . 11597 1 594 . 1 1 56 56 ASN ND2 N 15 110.361 0.300 . 1 . . . A 49 ASN ND2 . 11597 1 595 . 1 1 57 57 GLY H H 1 8.928 0.030 . 1 . . . A 50 GLY H . 11597 1 596 . 1 1 57 57 GLY HA2 H 1 3.644 0.030 . 1 . . . A 50 GLY HA2 . 11597 1 597 . 1 1 57 57 GLY HA3 H 1 3.987 0.030 . 1 . . . A 50 GLY HA3 . 11597 1 598 . 1 1 57 57 GLY C C 13 173.506 0.300 . 1 . . . A 50 GLY C . 11597 1 599 . 1 1 57 57 GLY CA C 13 45.740 0.300 . 1 . . . A 50 GLY CA . 11597 1 600 . 1 1 57 57 GLY N N 15 105.223 0.300 . 1 . . . A 50 GLY N . 11597 1 601 . 1 1 58 58 LYS H H 1 8.079 0.030 . 1 . . . A 51 LYS H . 11597 1 602 . 1 1 58 58 LYS HA H 1 4.685 0.030 . 1 . . . A 51 LYS HA . 11597 1 603 . 1 1 58 58 LYS HB2 H 1 1.858 0.030 . 1 . . . A 51 LYS HB2 . 11597 1 604 . 1 1 58 58 LYS HB3 H 1 1.858 0.030 . 1 . . . A 51 LYS HB3 . 11597 1 605 . 1 1 58 58 LYS HG2 H 1 1.237 0.030 . 2 . . . A 51 LYS HG2 . 11597 1 606 . 1 1 58 58 LYS HG3 H 1 1.433 0.030 . 2 . . . A 51 LYS HG3 . 11597 1 607 . 1 1 58 58 LYS HD2 H 1 1.641 0.030 . 1 . . . A 51 LYS HD2 . 11597 1 608 . 1 1 58 58 LYS HD3 H 1 1.641 0.030 . 1 . . . A 51 LYS HD3 . 11597 1 609 . 1 1 58 58 LYS HE2 H 1 2.892 0.030 . 2 . . . A 51 LYS HE2 . 11597 1 610 . 1 1 58 58 LYS HE3 H 1 2.927 0.030 . 2 . . . A 51 LYS HE3 . 11597 1 611 . 1 1 58 58 LYS C C 13 174.203 0.300 . 1 . . . A 51 LYS C . 11597 1 612 . 1 1 58 58 LYS CA C 13 54.040 0.300 . 1 . . . A 51 LYS CA . 11597 1 613 . 1 1 58 58 LYS CB C 13 35.099 0.300 . 1 . . . A 51 LYS CB . 11597 1 614 . 1 1 58 58 LYS CG C 13 23.689 0.300 . 1 . . . A 51 LYS CG . 11597 1 615 . 1 1 58 58 LYS CD C 13 29.448 0.300 . 1 . . . A 51 LYS CD . 11597 1 616 . 1 1 58 58 LYS CE C 13 42.383 0.300 . 1 . . . A 51 LYS CE . 11597 1 617 . 1 1 58 58 LYS N N 15 120.655 0.300 . 1 . . . A 51 LYS N . 11597 1 618 . 1 1 59 59 VAL H H 1 8.155 0.030 . 1 . . . A 52 VAL H . 11597 1 619 . 1 1 59 59 VAL HA H 1 5.197 0.030 . 1 . . . A 52 VAL HA . 11597 1 620 . 1 1 59 59 VAL HB H 1 1.847 0.030 . 1 . . . A 52 VAL HB . 11597 1 621 . 1 1 59 59 VAL HG11 H 1 0.607 0.030 . 1 . . . A 52 VAL HG11 . 11597 1 622 . 1 1 59 59 VAL HG12 H 1 0.607 0.030 . 1 . . . A 52 VAL HG12 . 11597 1 623 . 1 1 59 59 VAL HG13 H 1 0.607 0.030 . 1 . . . A 52 VAL HG13 . 11597 1 624 . 1 1 59 59 VAL HG21 H 1 0.948 0.030 . 1 . . . A 52 VAL HG21 . 11597 1 625 . 1 1 59 59 VAL HG22 H 1 0.948 0.030 . 1 . . . A 52 VAL HG22 . 11597 1 626 . 1 1 59 59 VAL HG23 H 1 0.948 0.030 . 1 . . . A 52 VAL HG23 . 11597 1 627 . 1 1 59 59 VAL C C 13 175.115 0.300 . 1 . . . A 52 VAL C . 11597 1 628 . 1 1 59 59 VAL CA C 13 61.067 0.300 . 1 . . . A 52 VAL CA . 11597 1 629 . 1 1 59 59 VAL CB C 13 32.934 0.300 . 1 . . . A 52 VAL CB . 11597 1 630 . 1 1 59 59 VAL CG1 C 13 22.102 0.300 . 1 . . . A 52 VAL CG1 . 11597 1 631 . 1 1 59 59 VAL CG2 C 13 22.094 0.300 . 1 . . . A 52 VAL CG2 . 11597 1 632 . 1 1 59 59 VAL N N 15 120.313 0.300 . 1 . . . A 52 VAL N . 11597 1 633 . 1 1 60 60 THR H H 1 9.274 0.030 . 1 . . . A 53 THR H . 11597 1 634 . 1 1 60 60 THR HA H 1 4.262 0.030 . 1 . . . A 53 THR HA . 11597 1 635 . 1 1 60 60 THR HB H 1 3.893 0.030 . 1 . . . A 53 THR HB . 11597 1 636 . 1 1 60 60 THR HG21 H 1 1.115 0.030 . 1 . . . A 53 THR HG21 . 11597 1 637 . 1 1 60 60 THR HG22 H 1 1.115 0.030 . 1 . . . A 53 THR HG22 . 11597 1 638 . 1 1 60 60 THR HG23 H 1 1.115 0.030 . 1 . . . A 53 THR HG23 . 11597 1 639 . 1 1 60 60 THR C C 13 172.755 0.300 . 1 . . . A 53 THR C . 11597 1 640 . 1 1 60 60 THR CA C 13 59.406 0.300 . 1 . . . A 53 THR CA . 11597 1 641 . 1 1 60 60 THR CB C 13 70.056 0.300 . 1 . . . A 53 THR CB . 11597 1 642 . 1 1 60 60 THR CG2 C 13 23.756 0.300 . 1 . . . A 53 THR CG2 . 11597 1 643 . 1 1 60 60 THR N N 15 121.688 0.300 . 1 . . . A 53 THR N . 11597 1 644 . 1 1 61 61 HIS H H 1 7.714 0.030 . 1 . . . A 54 HIS H . 11597 1 645 . 1 1 61 61 HIS HA H 1 5.576 0.030 . 1 . . . A 54 HIS HA . 11597 1 646 . 1 1 61 61 HIS HB2 H 1 2.707 0.030 . 1 . . . A 54 HIS HB2 . 11597 1 647 . 1 1 61 61 HIS HB3 H 1 2.611 0.030 . 1 . . . A 54 HIS HB3 . 11597 1 648 . 1 1 61 61 HIS HD2 H 1 7.039 0.030 . 1 . . . A 54 HIS HD2 . 11597 1 649 . 1 1 61 61 HIS HE1 H 1 7.235 0.030 . 1 . . . A 54 HIS HE1 . 11597 1 650 . 1 1 61 61 HIS C C 13 175.438 0.300 . 1 . . . A 54 HIS C . 11597 1 651 . 1 1 61 61 HIS CA C 13 54.544 0.300 . 1 . . . A 54 HIS CA . 11597 1 652 . 1 1 61 61 HIS CB C 13 33.687 0.300 . 1 . . . A 54 HIS CB . 11597 1 653 . 1 1 61 61 HIS CD2 C 13 120.869 0.300 . 1 . . . A 54 HIS CD2 . 11597 1 654 . 1 1 61 61 HIS CE1 C 13 137.261 0.300 . 1 . . . A 54 HIS CE1 . 11597 1 655 . 1 1 61 61 HIS N N 15 116.151 0.300 . 1 . . . A 54 HIS N . 11597 1 656 . 1 1 62 62 TYR H H 1 9.904 0.030 . 1 . . . A 55 TYR H . 11597 1 657 . 1 1 62 62 TYR HA H 1 4.750 0.030 . 1 . . . A 55 TYR HA . 11597 1 658 . 1 1 62 62 TYR HB2 H 1 2.826 0.030 . 1 . . . A 55 TYR HB2 . 11597 1 659 . 1 1 62 62 TYR HB3 H 1 2.826 0.030 . 1 . . . A 55 TYR HB3 . 11597 1 660 . 1 1 62 62 TYR HD1 H 1 7.043 0.030 . 1 . . . A 55 TYR HD1 . 11597 1 661 . 1 1 62 62 TYR HD2 H 1 7.043 0.030 . 1 . . . A 55 TYR HD2 . 11597 1 662 . 1 1 62 62 TYR HE1 H 1 6.846 0.030 . 1 . . . A 55 TYR HE1 . 11597 1 663 . 1 1 62 62 TYR HE2 H 1 6.846 0.030 . 1 . . . A 55 TYR HE2 . 11597 1 664 . 1 1 62 62 TYR C C 13 175.026 0.300 . 1 . . . A 55 TYR C . 11597 1 665 . 1 1 62 62 TYR CA C 13 56.863 0.300 . 1 . . . A 55 TYR CA . 11597 1 666 . 1 1 62 62 TYR CB C 13 40.812 0.300 . 1 . . . A 55 TYR CB . 11597 1 667 . 1 1 62 62 TYR CD1 C 13 133.197 0.300 . 1 . . . A 55 TYR CD1 . 11597 1 668 . 1 1 62 62 TYR CD2 C 13 133.197 0.300 . 1 . . . A 55 TYR CD2 . 11597 1 669 . 1 1 62 62 TYR CE1 C 13 118.586 0.300 . 1 . . . A 55 TYR CE1 . 11597 1 670 . 1 1 62 62 TYR CE2 C 13 118.586 0.300 . 1 . . . A 55 TYR CE2 . 11597 1 671 . 1 1 62 62 TYR N N 15 124.153 0.300 . 1 . . . A 55 TYR N . 11597 1 672 . 1 1 63 63 LYS H H 1 8.856 0.030 . 1 . . . A 56 LYS H . 11597 1 673 . 1 1 63 63 LYS HA H 1 4.443 0.030 . 1 . . . A 56 LYS HA . 11597 1 674 . 1 1 63 63 LYS HB2 H 1 1.897 0.030 . 1 . . . A 56 LYS HB2 . 11597 1 675 . 1 1 63 63 LYS HB3 H 1 1.897 0.030 . 1 . . . A 56 LYS HB3 . 11597 1 676 . 1 1 63 63 LYS HG2 H 1 1.463 0.030 . 2 . . . A 56 LYS HG2 . 11597 1 677 . 1 1 63 63 LYS HG3 H 1 1.645 0.030 . 2 . . . A 56 LYS HG3 . 11597 1 678 . 1 1 63 63 LYS HD2 H 1 1.753 0.030 . 1 . . . A 56 LYS HD2 . 11597 1 679 . 1 1 63 63 LYS HD3 H 1 1.753 0.030 . 1 . . . A 56 LYS HD3 . 11597 1 680 . 1 1 63 63 LYS HE2 H 1 3.014 0.030 . 1 . . . A 56 LYS HE2 . 11597 1 681 . 1 1 63 63 LYS HE3 H 1 3.014 0.030 . 1 . . . A 56 LYS HE3 . 11597 1 682 . 1 1 63 63 LYS C C 13 175.545 0.300 . 1 . . . A 56 LYS C . 11597 1 683 . 1 1 63 63 LYS CA C 13 58.205 0.300 . 1 . . . A 56 LYS CA . 11597 1 684 . 1 1 63 63 LYS CB C 13 33.165 0.300 . 1 . . . A 56 LYS CB . 11597 1 685 . 1 1 63 63 LYS CG C 13 25.549 0.300 . 1 . . . A 56 LYS CG . 11597 1 686 . 1 1 63 63 LYS CD C 13 29.525 0.300 . 1 . . . A 56 LYS CD . 11597 1 687 . 1 1 63 63 LYS CE C 13 42.156 0.300 . 1 . . . A 56 LYS CE . 11597 1 688 . 1 1 63 63 LYS N N 15 124.297 0.300 . 1 . . . A 56 LYS N . 11597 1 689 . 1 1 64 64 LEU H H 1 8.623 0.030 . 1 . . . A 57 LEU H . 11597 1 690 . 1 1 64 64 LEU HA H 1 4.985 0.030 . 1 . . . A 57 LEU HA . 11597 1 691 . 1 1 64 64 LEU HB2 H 1 1.836 0.030 . 1 . . . A 57 LEU HB2 . 11597 1 692 . 1 1 64 64 LEU HB3 H 1 1.385 0.030 . 1 . . . A 57 LEU HB3 . 11597 1 693 . 1 1 64 64 LEU HG H 1 1.667 0.030 . 1 . . . A 57 LEU HG . 11597 1 694 . 1 1 64 64 LEU HD11 H 1 0.808 0.030 . 1 . . . A 57 LEU HD11 . 11597 1 695 . 1 1 64 64 LEU HD12 H 1 0.808 0.030 . 1 . . . A 57 LEU HD12 . 11597 1 696 . 1 1 64 64 LEU HD13 H 1 0.808 0.030 . 1 . . . A 57 LEU HD13 . 11597 1 697 . 1 1 64 64 LEU HD21 H 1 0.679 0.030 . 1 . . . A 57 LEU HD21 . 11597 1 698 . 1 1 64 64 LEU HD22 H 1 0.679 0.030 . 1 . . . A 57 LEU HD22 . 11597 1 699 . 1 1 64 64 LEU HD23 H 1 0.679 0.030 . 1 . . . A 57 LEU HD23 . 11597 1 700 . 1 1 64 64 LEU C C 13 175.580 0.300 . 1 . . . A 57 LEU C . 11597 1 701 . 1 1 64 64 LEU CA C 13 53.978 0.300 . 1 . . . A 57 LEU CA . 11597 1 702 . 1 1 64 64 LEU CB C 13 42.937 0.300 . 1 . . . A 57 LEU CB . 11597 1 703 . 1 1 64 64 LEU CG C 13 27.178 0.300 . 1 . . . A 57 LEU CG . 11597 1 704 . 1 1 64 64 LEU CD1 C 13 27.138 0.300 . 1 . . . A 57 LEU CD1 . 11597 1 705 . 1 1 64 64 LEU CD2 C 13 25.546 0.300 . 1 . . . A 57 LEU CD2 . 11597 1 706 . 1 1 64 64 LEU N N 15 126.848 0.300 . 1 . . . A 57 LEU N . 11597 1 707 . 1 1 65 65 SER H H 1 8.785 0.030 . 1 . . . A 58 SER H . 11597 1 708 . 1 1 65 65 SER HA H 1 4.726 0.030 . 1 . . . A 58 SER HA . 11597 1 709 . 1 1 65 65 SER HB2 H 1 3.819 0.030 . 2 . . . A 58 SER HB2 . 11597 1 710 . 1 1 65 65 SER HB3 H 1 3.886 0.030 . 2 . . . A 58 SER HB3 . 11597 1 711 . 1 1 65 65 SER C C 13 173.452 0.300 . 1 . . . A 58 SER C . 11597 1 712 . 1 1 65 65 SER CA C 13 57.462 0.300 . 1 . . . A 58 SER CA . 11597 1 713 . 1 1 65 65 SER CB C 13 64.626 0.300 . 1 . . . A 58 SER CB . 11597 1 714 . 1 1 65 65 SER N N 15 118.111 0.300 . 1 . . . A 58 SER N . 11597 1 715 . 1 1 66 66 ALA H H 1 8.929 0.030 . 1 . . . A 59 ALA H . 11597 1 716 . 1 1 66 66 ALA HA H 1 4.989 0.030 . 1 . . . A 59 ALA HA . 11597 1 717 . 1 1 66 66 ALA HB1 H 1 1.497 0.030 . 1 . . . A 59 ALA HB1 . 11597 1 718 . 1 1 66 66 ALA HB2 H 1 1.497 0.030 . 1 . . . A 59 ALA HB2 . 11597 1 719 . 1 1 66 66 ALA HB3 H 1 1.497 0.030 . 1 . . . A 59 ALA HB3 . 11597 1 720 . 1 1 66 66 ALA C C 13 177.869 0.300 . 1 . . . A 59 ALA C . 11597 1 721 . 1 1 66 66 ALA CA C 13 52.019 0.300 . 1 . . . A 59 ALA CA . 11597 1 722 . 1 1 66 66 ALA CB C 13 19.112 0.300 . 1 . . . A 59 ALA CB . 11597 1 723 . 1 1 66 66 ALA N N 15 128.946 0.300 . 1 . . . A 59 ALA N . 11597 1 724 . 1 1 67 67 GLU H H 1 8.486 0.030 . 1 . . . A 60 GLU H . 11597 1 725 . 1 1 67 67 GLU HA H 1 4.493 0.030 . 1 . . . A 60 GLU HA . 11597 1 726 . 1 1 67 67 GLU HB2 H 1 1.804 0.030 . 1 . . . A 60 GLU HB2 . 11597 1 727 . 1 1 67 67 GLU HB3 H 1 1.804 0.030 . 1 . . . A 60 GLU HB3 . 11597 1 728 . 1 1 67 67 GLU HG2 H 1 2.005 0.030 . 2 . . . A 60 GLU HG2 . 11597 1 729 . 1 1 67 67 GLU HG3 H 1 2.170 0.030 . 2 . . . A 60 GLU HG3 . 11597 1 730 . 1 1 67 67 GLU C C 13 175.140 0.300 . 1 . . . A 60 GLU C . 11597 1 731 . 1 1 67 67 GLU CA C 13 55.774 0.300 . 1 . . . A 60 GLU CA . 11597 1 732 . 1 1 67 67 GLU CB C 13 32.005 0.300 . 1 . . . A 60 GLU CB . 11597 1 733 . 1 1 67 67 GLU CG C 13 36.115 0.300 . 1 . . . A 60 GLU CG . 11597 1 734 . 1 1 67 67 GLU N N 15 125.411 0.300 . 1 . . . A 60 GLU N . 11597 1 735 . 1 1 68 68 GLU H H 1 9.297 0.030 . 1 . . . A 61 GLU H . 11597 1 736 . 1 1 68 68 GLU HA H 1 3.899 0.030 . 1 . . . A 61 GLU HA . 11597 1 737 . 1 1 68 68 GLU HB2 H 1 2.025 0.030 . 2 . . . A 61 GLU HB2 . 11597 1 738 . 1 1 68 68 GLU HB3 H 1 2.255 0.030 . 2 . . . A 61 GLU HB3 . 11597 1 739 . 1 1 68 68 GLU HG2 H 1 2.225 0.030 . 2 . . . A 61 GLU HG2 . 11597 1 740 . 1 1 68 68 GLU HG3 H 1 2.292 0.030 . 2 . . . A 61 GLU HG3 . 11597 1 741 . 1 1 68 68 GLU C C 13 176.081 0.300 . 1 . . . A 61 GLU C . 11597 1 742 . 1 1 68 68 GLU CA C 13 57.086 0.300 . 1 . . . A 61 GLU CA . 11597 1 743 . 1 1 68 68 GLU CB C 13 28.069 0.300 . 1 . . . A 61 GLU CB . 11597 1 744 . 1 1 68 68 GLU CG C 13 36.713 0.300 . 1 . . . A 61 GLU CG . 11597 1 745 . 1 1 68 68 GLU N N 15 125.075 0.300 . 1 . . . A 61 GLU N . 11597 1 746 . 1 1 69 69 GLY H H 1 8.572 0.030 . 1 . . . A 62 GLY H . 11597 1 747 . 1 1 69 69 GLY HA2 H 1 3.727 0.030 . 1 . . . A 62 GLY HA2 . 11597 1 748 . 1 1 69 69 GLY HA3 H 1 4.238 0.030 . 1 . . . A 62 GLY HA3 . 11597 1 749 . 1 1 69 69 GLY C C 13 173.703 0.300 . 1 . . . A 62 GLY C . 11597 1 750 . 1 1 69 69 GLY CA C 13 45.727 0.300 . 1 . . . A 62 GLY CA . 11597 1 751 . 1 1 69 69 GLY N N 15 106.062 0.300 . 1 . . . A 62 GLY N . 11597 1 752 . 1 1 70 70 LYS H H 1 7.874 0.030 . 1 . . . A 63 LYS H . 11597 1 753 . 1 1 70 70 LYS HA H 1 4.739 0.030 . 1 . . . A 63 LYS HA . 11597 1 754 . 1 1 70 70 LYS HB2 H 1 1.850 0.030 . 2 . . . A 63 LYS HB2 . 11597 1 755 . 1 1 70 70 LYS HB3 H 1 2.002 0.030 . 2 . . . A 63 LYS HB3 . 11597 1 756 . 1 1 70 70 LYS HG2 H 1 1.469 0.030 . 1 . . . A 63 LYS HG2 . 11597 1 757 . 1 1 70 70 LYS HG3 H 1 1.469 0.030 . 1 . . . A 63 LYS HG3 . 11597 1 758 . 1 1 70 70 LYS HD2 H 1 1.606 0.030 . 2 . . . A 63 LYS HD2 . 11597 1 759 . 1 1 70 70 LYS HD3 H 1 1.651 0.030 . 2 . . . A 63 LYS HD3 . 11597 1 760 . 1 1 70 70 LYS HE2 H 1 3.011 0.030 . 1 . . . A 63 LYS HE2 . 11597 1 761 . 1 1 70 70 LYS HE3 H 1 3.011 0.030 . 1 . . . A 63 LYS HE3 . 11597 1 762 . 1 1 70 70 LYS C C 13 175.777 0.300 . 1 . . . A 63 LYS C . 11597 1 763 . 1 1 70 70 LYS CA C 13 54.860 0.300 . 1 . . . A 63 LYS CA . 11597 1 764 . 1 1 70 70 LYS CB C 13 35.051 0.300 . 1 . . . A 63 LYS CB . 11597 1 765 . 1 1 70 70 LYS CG C 13 26.248 0.300 . 1 . . . A 63 LYS CG . 11597 1 766 . 1 1 70 70 LYS CD C 13 29.290 0.300 . 1 . . . A 63 LYS CD . 11597 1 767 . 1 1 70 70 LYS CE C 13 42.508 0.300 . 1 . . . A 63 LYS CE . 11597 1 768 . 1 1 70 70 LYS N N 15 120.739 0.300 . 1 . . . A 63 LYS N . 11597 1 769 . 1 1 71 71 ILE H H 1 8.863 0.030 . 1 . . . A 64 ILE H . 11597 1 770 . 1 1 71 71 ILE HA H 1 4.999 0.030 . 1 . . . A 64 ILE HA . 11597 1 771 . 1 1 71 71 ILE HB H 1 1.743 0.030 . 1 . . . A 64 ILE HB . 11597 1 772 . 1 1 71 71 ILE HG12 H 1 1.407 0.030 . 1 . . . A 64 ILE HG12 . 11597 1 773 . 1 1 71 71 ILE HG13 H 1 1.026 0.030 . 1 . . . A 64 ILE HG13 . 11597 1 774 . 1 1 71 71 ILE HG21 H 1 0.781 0.030 . 1 . . . A 64 ILE HG21 . 11597 1 775 . 1 1 71 71 ILE HG22 H 1 0.781 0.030 . 1 . . . A 64 ILE HG22 . 11597 1 776 . 1 1 71 71 ILE HG23 H 1 0.781 0.030 . 1 . . . A 64 ILE HG23 . 11597 1 777 . 1 1 71 71 ILE HD11 H 1 0.825 0.030 . 1 . . . A 64 ILE HD11 . 11597 1 778 . 1 1 71 71 ILE HD12 H 1 0.825 0.030 . 1 . . . A 64 ILE HD12 . 11597 1 779 . 1 1 71 71 ILE HD13 H 1 0.825 0.030 . 1 . . . A 64 ILE HD13 . 11597 1 780 . 1 1 71 71 ILE C C 13 173.971 0.300 . 1 . . . A 64 ILE C . 11597 1 781 . 1 1 71 71 ILE CA C 13 57.448 0.300 . 1 . . . A 64 ILE CA . 11597 1 782 . 1 1 71 71 ILE CB C 13 39.470 0.300 . 1 . . . A 64 ILE CB . 11597 1 783 . 1 1 71 71 ILE CG1 C 13 26.184 0.300 . 1 . . . A 64 ILE CG1 . 11597 1 784 . 1 1 71 71 ILE CG2 C 13 18.258 0.300 . 1 . . . A 64 ILE CG2 . 11597 1 785 . 1 1 71 71 ILE CD1 C 13 9.492 0.300 . 1 . . . A 64 ILE CD1 . 11597 1 786 . 1 1 71 71 ILE N N 15 121.119 0.300 . 1 . . . A 64 ILE N . 11597 1 787 . 1 1 72 72 ARG H H 1 9.777 0.030 . 1 . . . A 65 ARG H . 11597 1 788 . 1 1 72 72 ARG HA H 1 5.413 0.030 . 1 . . . A 65 ARG HA . 11597 1 789 . 1 1 72 72 ARG HB2 H 1 1.582 0.030 . 2 . . . A 65 ARG HB2 . 11597 1 790 . 1 1 72 72 ARG HB3 H 1 1.844 0.030 . 2 . . . A 65 ARG HB3 . 11597 1 791 . 1 1 72 72 ARG HG2 H 1 1.475 0.030 . 1 . . . A 65 ARG HG2 . 11597 1 792 . 1 1 72 72 ARG HG3 H 1 1.475 0.030 . 1 . . . A 65 ARG HG3 . 11597 1 793 . 1 1 72 72 ARG HD2 H 1 3.080 0.030 . 2 . . . A 65 ARG HD2 . 11597 1 794 . 1 1 72 72 ARG HD3 H 1 3.232 0.030 . 2 . . . A 65 ARG HD3 . 11597 1 795 . 1 1 72 72 ARG HE H 1 8.181 0.030 . 1 . . . A 65 ARG HE . 11597 1 796 . 1 1 72 72 ARG C C 13 176.010 0.300 . 1 . . . A 65 ARG C . 11597 1 797 . 1 1 72 72 ARG CA C 13 54.126 0.300 . 1 . . . A 65 ARG CA . 11597 1 798 . 1 1 72 72 ARG CB C 13 32.423 0.300 . 1 . . . A 65 ARG CB . 11597 1 799 . 1 1 72 72 ARG CG C 13 26.967 0.300 . 1 . . . A 65 ARG CG . 11597 1 800 . 1 1 72 72 ARG CD C 13 42.383 0.300 . 1 . . . A 65 ARG CD . 11597 1 801 . 1 1 72 72 ARG N N 15 129.837 0.300 . 1 . . . A 65 ARG N . 11597 1 802 . 1 1 72 72 ARG NE N 15 84.564 0.300 . 1 . . . A 65 ARG NE . 11597 1 803 . 1 1 73 73 ILE H H 1 8.390 0.030 . 1 . . . A 66 ILE H . 11597 1 804 . 1 1 73 73 ILE HA H 1 4.626 0.030 . 1 . . . A 66 ILE HA . 11597 1 805 . 1 1 73 73 ILE HB H 1 2.235 0.030 . 1 . . . A 66 ILE HB . 11597 1 806 . 1 1 73 73 ILE HG12 H 1 1.192 0.030 . 1 . . . A 66 ILE HG12 . 11597 1 807 . 1 1 73 73 ILE HG13 H 1 1.777 0.030 . 1 . . . A 66 ILE HG13 . 11597 1 808 . 1 1 73 73 ILE HG21 H 1 1.230 0.030 . 1 . . . A 66 ILE HG21 . 11597 1 809 . 1 1 73 73 ILE HG22 H 1 1.230 0.030 . 1 . . . A 66 ILE HG22 . 11597 1 810 . 1 1 73 73 ILE HG23 H 1 1.230 0.030 . 1 . . . A 66 ILE HG23 . 11597 1 811 . 1 1 73 73 ILE HD11 H 1 0.692 0.030 . 1 . . . A 66 ILE HD11 . 11597 1 812 . 1 1 73 73 ILE HD12 H 1 0.692 0.030 . 1 . . . A 66 ILE HD12 . 11597 1 813 . 1 1 73 73 ILE HD13 H 1 0.692 0.030 . 1 . . . A 66 ILE HD13 . 11597 1 814 . 1 1 73 73 ILE C C 13 174.239 0.300 . 1 . . . A 66 ILE C . 11597 1 815 . 1 1 73 73 ILE CA C 13 60.451 0.300 . 1 . . . A 66 ILE CA . 11597 1 816 . 1 1 73 73 ILE CB C 13 39.288 0.300 . 1 . . . A 66 ILE CB . 11597 1 817 . 1 1 73 73 ILE CG1 C 13 28.024 0.300 . 1 . . . A 66 ILE CG1 . 11597 1 818 . 1 1 73 73 ILE CG2 C 13 15.961 0.300 . 1 . . . A 66 ILE CG2 . 11597 1 819 . 1 1 73 73 ILE CD1 C 13 13.839 0.300 . 1 . . . A 66 ILE CD1 . 11597 1 820 . 1 1 73 73 ILE N N 15 124.160 0.300 . 1 . . . A 66 ILE N . 11597 1 821 . 1 1 74 74 ASP H H 1 9.336 0.030 . 1 . . . A 67 ASP H . 11597 1 822 . 1 1 74 74 ASP HA H 1 4.221 0.030 . 1 . . . A 67 ASP HA . 11597 1 823 . 1 1 74 74 ASP HB2 H 1 2.876 0.030 . 2 . . . A 67 ASP HB2 . 11597 1 824 . 1 1 74 74 ASP HB3 H 1 3.146 0.030 . 2 . . . A 67 ASP HB3 . 11597 1 825 . 1 1 74 74 ASP C C 13 176.063 0.300 . 1 . . . A 67 ASP C . 11597 1 826 . 1 1 74 74 ASP CA C 13 56.622 0.300 . 1 . . . A 67 ASP CA . 11597 1 827 . 1 1 74 74 ASP CB C 13 40.284 0.300 . 1 . . . A 67 ASP CB . 11597 1 828 . 1 1 74 74 ASP N N 15 127.946 0.300 . 1 . . . A 67 ASP N . 11597 1 829 . 1 1 75 75 THR H H 1 7.666 0.030 . 1 . . . A 68 THR H . 11597 1 830 . 1 1 75 75 THR HA H 1 4.143 0.030 . 1 . . . A 68 THR HA . 11597 1 831 . 1 1 75 75 THR HB H 1 4.310 0.030 . 1 . . . A 68 THR HB . 11597 1 832 . 1 1 75 75 THR HG21 H 1 1.090 0.030 . 1 . . . A 68 THR HG21 . 11597 1 833 . 1 1 75 75 THR HG22 H 1 1.090 0.030 . 1 . . . A 68 THR HG22 . 11597 1 834 . 1 1 75 75 THR HG23 H 1 1.090 0.030 . 1 . . . A 68 THR HG23 . 11597 1 835 . 1 1 75 75 THR C C 13 174.114 0.300 . 1 . . . A 68 THR C . 11597 1 836 . 1 1 75 75 THR CA C 13 61.907 0.300 . 1 . . . A 68 THR CA . 11597 1 837 . 1 1 75 75 THR CB C 13 68.969 0.300 . 1 . . . A 68 THR CB . 11597 1 838 . 1 1 75 75 THR CG2 C 13 21.509 0.300 . 1 . . . A 68 THR CG2 . 11597 1 839 . 1 1 75 75 THR N N 15 112.070 0.300 . 1 . . . A 68 THR N . 11597 1 840 . 1 1 76 76 HIS H H 1 8.485 0.030 . 1 . . . A 69 HIS H . 11597 1 841 . 1 1 76 76 HIS HA H 1 4.294 0.030 . 1 . . . A 69 HIS HA . 11597 1 842 . 1 1 76 76 HIS HB2 H 1 2.902 0.030 . 1 . . . A 69 HIS HB2 . 11597 1 843 . 1 1 76 76 HIS HB3 H 1 1.879 0.030 . 1 . . . A 69 HIS HB3 . 11597 1 844 . 1 1 76 76 HIS HD2 H 1 7.089 0.030 . 1 . . . A 69 HIS HD2 . 11597 1 845 . 1 1 76 76 HIS HE1 H 1 8.075 0.030 . 1 . . . A 69 HIS HE1 . 11597 1 846 . 1 1 76 76 HIS C C 13 172.737 0.300 . 1 . . . A 69 HIS C . 11597 1 847 . 1 1 76 76 HIS CA C 13 55.416 0.300 . 1 . . . A 69 HIS CA . 11597 1 848 . 1 1 76 76 HIS CB C 13 32.512 0.300 . 1 . . . A 69 HIS CB . 11597 1 849 . 1 1 76 76 HIS CD2 C 13 120.391 0.300 . 1 . . . A 69 HIS CD2 . 11597 1 850 . 1 1 76 76 HIS CE1 C 13 137.230 0.300 . 1 . . . A 69 HIS CE1 . 11597 1 851 . 1 1 76 76 HIS N N 15 122.021 0.300 . 1 . . . A 69 HIS N . 11597 1 852 . 1 1 77 77 LEU H H 1 7.859 0.030 . 1 . . . A 70 LEU H . 11597 1 853 . 1 1 77 77 LEU HA H 1 4.876 0.030 . 1 . . . A 70 LEU HA . 11597 1 854 . 1 1 77 77 LEU HB2 H 1 1.186 0.030 . 2 . . . A 70 LEU HB2 . 11597 1 855 . 1 1 77 77 LEU HB3 H 1 1.394 0.030 . 2 . . . A 70 LEU HB3 . 11597 1 856 . 1 1 77 77 LEU HG H 1 1.265 0.030 . 1 . . . A 70 LEU HG . 11597 1 857 . 1 1 77 77 LEU HD11 H 1 0.754 0.030 . 2 . . . A 70 LEU HD11 . 11597 1 858 . 1 1 77 77 LEU HD12 H 1 0.754 0.030 . 2 . . . A 70 LEU HD12 . 11597 1 859 . 1 1 77 77 LEU HD13 H 1 0.754 0.030 . 2 . . . A 70 LEU HD13 . 11597 1 860 . 1 1 77 77 LEU HD21 H 1 0.808 0.030 . 2 . . . A 70 LEU HD21 . 11597 1 861 . 1 1 77 77 LEU HD22 H 1 0.808 0.030 . 2 . . . A 70 LEU HD22 . 11597 1 862 . 1 1 77 77 LEU HD23 H 1 0.808 0.030 . 2 . . . A 70 LEU HD23 . 11597 1 863 . 1 1 77 77 LEU C C 13 175.813 0.300 . 1 . . . A 70 LEU C . 11597 1 864 . 1 1 77 77 LEU CA C 13 53.384 0.300 . 1 . . . A 70 LEU CA . 11597 1 865 . 1 1 77 77 LEU CB C 13 44.667 0.300 . 1 . . . A 70 LEU CB . 11597 1 866 . 1 1 77 77 LEU CG C 13 26.878 0.300 . 1 . . . A 70 LEU CG . 11597 1 867 . 1 1 77 77 LEU CD1 C 13 24.623 0.300 . 2 . . . A 70 LEU CD1 . 11597 1 868 . 1 1 77 77 LEU CD2 C 13 27.091 0.300 . 2 . . . A 70 LEU CD2 . 11597 1 869 . 1 1 77 77 LEU N N 15 122.897 0.300 . 1 . . . A 70 LEU N . 11597 1 870 . 1 1 78 78 PHE H H 1 9.587 0.030 . 1 . . . A 71 PHE H . 11597 1 871 . 1 1 78 78 PHE HA H 1 4.828 0.030 . 1 . . . A 71 PHE HA . 11597 1 872 . 1 1 78 78 PHE HB2 H 1 2.653 0.030 . 1 . . . A 71 PHE HB2 . 11597 1 873 . 1 1 78 78 PHE HB3 H 1 3.221 0.030 . 1 . . . A 71 PHE HB3 . 11597 1 874 . 1 1 78 78 PHE HD1 H 1 7.052 0.030 . 1 . . . A 71 PHE HD1 . 11597 1 875 . 1 1 78 78 PHE HD2 H 1 7.052 0.030 . 1 . . . A 71 PHE HD2 . 11597 1 876 . 1 1 78 78 PHE HE1 H 1 6.751 0.030 . 1 . . . A 71 PHE HE1 . 11597 1 877 . 1 1 78 78 PHE HE2 H 1 6.751 0.030 . 1 . . . A 71 PHE HE2 . 11597 1 878 . 1 1 78 78 PHE HZ H 1 5.505 0.030 . 1 . . . A 71 PHE HZ . 11597 1 879 . 1 1 78 78 PHE C C 13 176.457 0.300 . 1 . . . A 71 PHE C . 11597 1 880 . 1 1 78 78 PHE CA C 13 56.763 0.300 . 1 . . . A 71 PHE CA . 11597 1 881 . 1 1 78 78 PHE CB C 13 43.272 0.300 . 1 . . . A 71 PHE CB . 11597 1 882 . 1 1 78 78 PHE CD1 C 13 131.357 0.300 . 1 . . . A 71 PHE CD1 . 11597 1 883 . 1 1 78 78 PHE CD2 C 13 131.357 0.300 . 1 . . . A 71 PHE CD2 . 11597 1 884 . 1 1 78 78 PHE CE1 C 13 131.328 0.300 . 1 . . . A 71 PHE CE1 . 11597 1 885 . 1 1 78 78 PHE CE2 C 13 131.328 0.300 . 1 . . . A 71 PHE CE2 . 11597 1 886 . 1 1 78 78 PHE CZ C 13 128.859 0.300 . 1 . . . A 71 PHE CZ . 11597 1 887 . 1 1 78 78 PHE N N 15 123.371 0.300 . 1 . . . A 71 PHE N . 11597 1 888 . 1 1 79 79 ASP H H 1 9.285 0.030 . 1 . . . A 72 ASP H . 11597 1 889 . 1 1 79 79 ASP HA H 1 4.364 0.030 . 1 . . . A 72 ASP HA . 11597 1 890 . 1 1 79 79 ASP HB2 H 1 2.452 0.030 . 2 . . . A 72 ASP HB2 . 11597 1 891 . 1 1 79 79 ASP HB3 H 1 2.773 0.030 . 2 . . . A 72 ASP HB3 . 11597 1 892 . 1 1 79 79 ASP C C 13 175.419 0.300 . 1 . . . A 72 ASP C . 11597 1 893 . 1 1 79 79 ASP CA C 13 57.520 0.300 . 1 . . . A 72 ASP CA . 11597 1 894 . 1 1 79 79 ASP CB C 13 41.668 0.300 . 1 . . . A 72 ASP CB . 11597 1 895 . 1 1 79 79 ASP N N 15 119.562 0.300 . 1 . . . A 72 ASP N . 11597 1 896 . 1 1 80 80 ASN H H 1 7.322 0.030 . 1 . . . A 73 ASN H . 11597 1 897 . 1 1 80 80 ASN HA H 1 4.616 0.030 . 1 . . . A 73 ASN HA . 11597 1 898 . 1 1 80 80 ASN HB2 H 1 3.209 0.030 . 2 . . . A 73 ASN HB2 . 11597 1 899 . 1 1 80 80 ASN HB3 H 1 3.412 0.030 . 2 . . . A 73 ASN HB3 . 11597 1 900 . 1 1 80 80 ASN HD21 H 1 7.674 0.030 . 2 . . . A 73 ASN HD21 . 11597 1 901 . 1 1 80 80 ASN HD22 H 1 6.900 0.030 . 2 . . . A 73 ASN HD22 . 11597 1 902 . 1 1 80 80 ASN C C 13 174.740 0.300 . 1 . . . A 73 ASN C . 11597 1 903 . 1 1 80 80 ASN CA C 13 51.616 0.300 . 1 . . . A 73 ASN CA . 11597 1 904 . 1 1 80 80 ASN CB C 13 39.525 0.300 . 1 . . . A 73 ASN CB . 11597 1 905 . 1 1 80 80 ASN N N 15 106.508 0.300 . 1 . . . A 73 ASN N . 11597 1 906 . 1 1 80 80 ASN ND2 N 15 114.768 0.300 . 1 . . . A 73 ASN ND2 . 11597 1 907 . 1 1 81 81 LEU H H 1 8.846 0.030 . 1 . . . A 74 LEU H . 11597 1 908 . 1 1 81 81 LEU HA H 1 3.773 0.030 . 1 . . . A 74 LEU HA . 11597 1 909 . 1 1 81 81 LEU HB2 H 1 1.657 0.030 . 1 . . . A 74 LEU HB2 . 11597 1 910 . 1 1 81 81 LEU HB3 H 1 1.427 0.030 . 1 . . . A 74 LEU HB3 . 11597 1 911 . 1 1 81 81 LEU HG H 1 1.466 0.030 . 1 . . . A 74 LEU HG . 11597 1 912 . 1 1 81 81 LEU HD11 H 1 0.331 0.030 . 1 . . . A 74 LEU HD11 . 11597 1 913 . 1 1 81 81 LEU HD12 H 1 0.331 0.030 . 1 . . . A 74 LEU HD12 . 11597 1 914 . 1 1 81 81 LEU HD13 H 1 0.331 0.030 . 1 . . . A 74 LEU HD13 . 11597 1 915 . 1 1 81 81 LEU HD21 H 1 0.422 0.030 . 1 . . . A 74 LEU HD21 . 11597 1 916 . 1 1 81 81 LEU HD22 H 1 0.422 0.030 . 1 . . . A 74 LEU HD22 . 11597 1 917 . 1 1 81 81 LEU HD23 H 1 0.422 0.030 . 1 . . . A 74 LEU HD23 . 11597 1 918 . 1 1 81 81 LEU C C 13 177.548 0.300 . 1 . . . A 74 LEU C . 11597 1 919 . 1 1 81 81 LEU CA C 13 58.311 0.300 . 1 . . . A 74 LEU CA . 11597 1 920 . 1 1 81 81 LEU CB C 13 42.894 0.300 . 1 . . . A 74 LEU CB . 11597 1 921 . 1 1 81 81 LEU CG C 13 26.876 0.300 . 1 . . . A 74 LEU CG . 11597 1 922 . 1 1 81 81 LEU CD1 C 13 24.235 0.300 . 1 . . . A 74 LEU CD1 . 11597 1 923 . 1 1 81 81 LEU CD2 C 13 24.488 0.300 . 1 . . . A 74 LEU CD2 . 11597 1 924 . 1 1 81 81 LEU N N 15 119.870 0.300 . 1 . . . A 74 LEU N . 11597 1 925 . 1 1 82 82 ASP H H 1 8.433 0.030 . 1 . . . A 75 ASP H . 11597 1 926 . 1 1 82 82 ASP HA H 1 4.284 0.030 . 1 . . . A 75 ASP HA . 11597 1 927 . 1 1 82 82 ASP HB2 H 1 2.647 0.030 . 2 . . . A 75 ASP HB2 . 11597 1 928 . 1 1 82 82 ASP HB3 H 1 2.732 0.030 . 2 . . . A 75 ASP HB3 . 11597 1 929 . 1 1 82 82 ASP C C 13 178.532 0.300 . 1 . . . A 75 ASP C . 11597 1 930 . 1 1 82 82 ASP CA C 13 58.078 0.300 . 1 . . . A 75 ASP CA . 11597 1 931 . 1 1 82 82 ASP CB C 13 41.190 0.300 . 1 . . . A 75 ASP CB . 11597 1 932 . 1 1 82 82 ASP N N 15 118.228 0.300 . 1 . . . A 75 ASP N . 11597 1 933 . 1 1 83 83 ALA H H 1 8.315 0.030 . 1 . . . A 76 ALA H . 11597 1 934 . 1 1 83 83 ALA HA H 1 4.063 0.030 . 1 . . . A 76 ALA HA . 11597 1 935 . 1 1 83 83 ALA HB1 H 1 1.649 0.030 . 1 . . . A 76 ALA HB1 . 11597 1 936 . 1 1 83 83 ALA HB2 H 1 1.649 0.030 . 1 . . . A 76 ALA HB2 . 11597 1 937 . 1 1 83 83 ALA HB3 H 1 1.649 0.030 . 1 . . . A 76 ALA HB3 . 11597 1 938 . 1 1 83 83 ALA C C 13 179.712 0.300 . 1 . . . A 76 ALA C . 11597 1 939 . 1 1 83 83 ALA CA C 13 54.804 0.300 . 1 . . . A 76 ALA CA . 11597 1 940 . 1 1 83 83 ALA CB C 13 18.735 0.300 . 1 . . . A 76 ALA CB . 11597 1 941 . 1 1 83 83 ALA N N 15 120.971 0.300 . 1 . . . A 76 ALA N . 11597 1 942 . 1 1 84 84 ALA H H 1 7.133 0.030 . 1 . . . A 77 ALA H . 11597 1 943 . 1 1 84 84 ALA HA H 1 2.099 0.030 . 1 . . . A 77 ALA HA . 11597 1 944 . 1 1 84 84 ALA HB1 H 1 0.950 0.030 . 1 . . . A 77 ALA HB1 . 11597 1 945 . 1 1 84 84 ALA HB2 H 1 0.950 0.030 . 1 . . . A 77 ALA HB2 . 11597 1 946 . 1 1 84 84 ALA HB3 H 1 0.950 0.030 . 1 . . . A 77 ALA HB3 . 11597 1 947 . 1 1 84 84 ALA C C 13 177.476 0.300 . 1 . . . A 77 ALA C . 11597 1 948 . 1 1 84 84 ALA CA C 13 53.971 0.300 . 1 . . . A 77 ALA CA . 11597 1 949 . 1 1 84 84 ALA CB C 13 18.106 0.300 . 1 . . . A 77 ALA CB . 11597 1 950 . 1 1 84 84 ALA N N 15 122.142 0.300 . 1 . . . A 77 ALA N . 11597 1 951 . 1 1 85 85 ILE H H 1 7.668 0.030 . 1 . . . A 78 ILE H . 11597 1 952 . 1 1 85 85 ILE HA H 1 3.143 0.030 . 1 . . . A 78 ILE HA . 11597 1 953 . 1 1 85 85 ILE HB H 1 1.559 0.030 . 1 . . . A 78 ILE HB . 11597 1 954 . 1 1 85 85 ILE HG12 H 1 0.745 0.030 . 1 . . . A 78 ILE HG12 . 11597 1 955 . 1 1 85 85 ILE HG13 H 1 -0.184 0.030 . 1 . . . A 78 ILE HG13 . 11597 1 956 . 1 1 85 85 ILE HG21 H 1 0.128 0.030 . 1 . . . A 78 ILE HG21 . 11597 1 957 . 1 1 85 85 ILE HG22 H 1 0.128 0.030 . 1 . . . A 78 ILE HG22 . 11597 1 958 . 1 1 85 85 ILE HG23 H 1 0.128 0.030 . 1 . . . A 78 ILE HG23 . 11597 1 959 . 1 1 85 85 ILE HD11 H 1 -0.133 0.030 . 1 . . . A 78 ILE HD11 . 11597 1 960 . 1 1 85 85 ILE HD12 H 1 -0.133 0.030 . 1 . . . A 78 ILE HD12 . 11597 1 961 . 1 1 85 85 ILE HD13 H 1 -0.133 0.030 . 1 . . . A 78 ILE HD13 . 11597 1 962 . 1 1 85 85 ILE C C 13 177.727 0.300 . 1 . . . A 78 ILE C . 11597 1 963 . 1 1 85 85 ILE CA C 13 62.248 0.300 . 1 . . . A 78 ILE CA . 11597 1 964 . 1 1 85 85 ILE CB C 13 35.352 0.300 . 1 . . . A 78 ILE CB . 11597 1 965 . 1 1 85 85 ILE CG1 C 13 26.917 0.300 . 1 . . . A 78 ILE CG1 . 11597 1 966 . 1 1 85 85 ILE CG2 C 13 17.913 0.300 . 1 . . . A 78 ILE CG2 . 11597 1 967 . 1 1 85 85 ILE CD1 C 13 9.474 0.300 . 1 . . . A 78 ILE CD1 . 11597 1 968 . 1 1 85 85 ILE N N 15 117.124 0.300 . 1 . . . A 78 ILE N . 11597 1 969 . 1 1 86 86 THR H H 1 8.148 0.030 . 1 . . . A 79 THR H . 11597 1 970 . 1 1 86 86 THR HA H 1 3.756 0.030 . 1 . . . A 79 THR HA . 11597 1 971 . 1 1 86 86 THR HB H 1 4.103 0.030 . 1 . . . A 79 THR HB . 11597 1 972 . 1 1 86 86 THR HG21 H 1 1.226 0.030 . 1 . . . A 79 THR HG21 . 11597 1 973 . 1 1 86 86 THR HG22 H 1 1.226 0.030 . 1 . . . A 79 THR HG22 . 11597 1 974 . 1 1 86 86 THR HG23 H 1 1.226 0.030 . 1 . . . A 79 THR HG23 . 11597 1 975 . 1 1 86 86 THR C C 13 177.369 0.300 . 1 . . . A 79 THR C . 11597 1 976 . 1 1 86 86 THR CA C 13 67.174 0.300 . 1 . . . A 79 THR CA . 11597 1 977 . 1 1 86 86 THR CB C 13 68.777 0.300 . 1 . . . A 79 THR CB . 11597 1 978 . 1 1 86 86 THR CG2 C 13 21.831 0.300 . 1 . . . A 79 THR CG2 . 11597 1 979 . 1 1 86 86 THR N N 15 114.527 0.300 . 1 . . . A 79 THR N . 11597 1 980 . 1 1 87 87 PHE H H 1 7.588 0.030 . 1 . . . A 80 PHE H . 11597 1 981 . 1 1 87 87 PHE HA H 1 4.125 0.030 . 1 . . . A 80 PHE HA . 11597 1 982 . 1 1 87 87 PHE HB2 H 1 2.794 0.030 . 2 . . . A 80 PHE HB2 . 11597 1 983 . 1 1 87 87 PHE HB3 H 1 2.598 0.030 . 2 . . . A 80 PHE HB3 . 11597 1 984 . 1 1 87 87 PHE HE1 H 1 6.562 0.030 . 1 . . . A 80 PHE HE1 . 11597 1 985 . 1 1 87 87 PHE HE2 H 1 6.562 0.030 . 1 . . . A 80 PHE HE2 . 11597 1 986 . 1 1 87 87 PHE HZ H 1 6.383 0.030 . 1 . . . A 80 PHE HZ . 11597 1 987 . 1 1 87 87 PHE C C 13 179.587 0.300 . 1 . . . A 80 PHE C . 11597 1 988 . 1 1 87 87 PHE CA C 13 62.330 0.300 . 1 . . . A 80 PHE CA . 11597 1 989 . 1 1 87 87 PHE CB C 13 39.774 0.300 . 1 . . . A 80 PHE CB . 11597 1 990 . 1 1 87 87 PHE CE1 C 13 130.799 0.300 . 1 . . . A 80 PHE CE1 . 11597 1 991 . 1 1 87 87 PHE CE2 C 13 130.799 0.300 . 1 . . . A 80 PHE CE2 . 11597 1 992 . 1 1 87 87 PHE CZ C 13 128.727 0.300 . 1 . . . A 80 PHE CZ . 11597 1 993 . 1 1 87 87 PHE N N 15 122.091 0.300 . 1 . . . A 80 PHE N . 11597 1 994 . 1 1 88 88 TYR H H 1 7.741 0.030 . 1 . . . A 81 TYR H . 11597 1 995 . 1 1 88 88 TYR HA H 1 4.796 0.030 . 1 . . . A 81 TYR HA . 11597 1 996 . 1 1 88 88 TYR HB2 H 1 2.294 0.030 . 1 . . . A 81 TYR HB2 . 11597 1 997 . 1 1 88 88 TYR HB3 H 1 3.233 0.030 . 1 . . . A 81 TYR HB3 . 11597 1 998 . 1 1 88 88 TYR HD1 H 1 6.992 0.030 . 1 . . . A 81 TYR HD1 . 11597 1 999 . 1 1 88 88 TYR HD2 H 1 6.992 0.030 . 1 . . . A 81 TYR HD2 . 11597 1 1000 . 1 1 88 88 TYR HE1 H 1 6.652 0.030 . 1 . . . A 81 TYR HE1 . 11597 1 1001 . 1 1 88 88 TYR HE2 H 1 6.652 0.030 . 1 . . . A 81 TYR HE2 . 11597 1 1002 . 1 1 88 88 TYR C C 13 174.686 0.300 . 1 . . . A 81 TYR C . 11597 1 1003 . 1 1 88 88 TYR CA C 13 62.052 0.300 . 1 . . . A 81 TYR CA . 11597 1 1004 . 1 1 88 88 TYR CB C 13 36.555 0.300 . 1 . . . A 81 TYR CB . 11597 1 1005 . 1 1 88 88 TYR CD1 C 13 132.945 0.300 . 1 . . . A 81 TYR CD1 . 11597 1 1006 . 1 1 88 88 TYR CD2 C 13 132.945 0.300 . 1 . . . A 81 TYR CD2 . 11597 1 1007 . 1 1 88 88 TYR CE1 C 13 118.174 0.300 . 1 . . . A 81 TYR CE1 . 11597 1 1008 . 1 1 88 88 TYR CE2 C 13 118.174 0.300 . 1 . . . A 81 TYR CE2 . 11597 1 1009 . 1 1 88 88 TYR N N 15 118.739 0.300 . 1 . . . A 81 TYR N . 11597 1 1010 . 1 1 89 89 MET H H 1 7.617 0.030 . 1 . . . A 82 MET H . 11597 1 1011 . 1 1 89 89 MET HA H 1 4.763 0.030 . 1 . . . A 82 MET HA . 11597 1 1012 . 1 1 89 89 MET HB2 H 1 2.169 0.030 . 2 . . . A 82 MET HB2 . 11597 1 1013 . 1 1 89 89 MET HB3 H 1 2.430 0.030 . 2 . . . A 82 MET HB3 . 11597 1 1014 . 1 1 89 89 MET HG2 H 1 2.731 0.030 . 2 . . . A 82 MET HG2 . 11597 1 1015 . 1 1 89 89 MET HG3 H 1 2.425 0.030 . 2 . . . A 82 MET HG3 . 11597 1 1016 . 1 1 89 89 MET HE1 H 1 2.069 0.030 . 1 . . . A 82 MET HE1 . 11597 1 1017 . 1 1 89 89 MET HE2 H 1 2.069 0.030 . 1 . . . A 82 MET HE2 . 11597 1 1018 . 1 1 89 89 MET HE3 H 1 2.069 0.030 . 1 . . . A 82 MET HE3 . 11597 1 1019 . 1 1 89 89 MET C C 13 177.577 0.300 . 1 . . . A 82 MET C . 11597 1 1020 . 1 1 89 89 MET CA C 13 57.420 0.300 . 1 . . . A 82 MET CA . 11597 1 1021 . 1 1 89 89 MET CB C 13 32.492 0.300 . 1 . . . A 82 MET CB . 11597 1 1022 . 1 1 89 89 MET CG C 13 32.482 0.300 . 1 . . . A 82 MET CG . 11597 1 1023 . 1 1 89 89 MET CE C 13 16.722 0.300 . 1 . . . A 82 MET CE . 11597 1 1024 . 1 1 89 89 MET N N 15 117.835 0.300 . 1 . . . A 82 MET N . 11597 1 1025 . 1 1 90 90 GLU H H 1 7.136 0.030 . 1 . . . A 83 GLU H . 11597 1 1026 . 1 1 90 90 GLU HA H 1 4.333 0.030 . 1 . . . A 83 GLU HA . 11597 1 1027 . 1 1 90 90 GLU HB2 H 1 1.591 0.030 . 2 . . . A 83 GLU HB2 . 11597 1 1028 . 1 1 90 90 GLU HB3 H 1 1.743 0.030 . 2 . . . A 83 GLU HB3 . 11597 1 1029 . 1 1 90 90 GLU HG2 H 1 1.856 0.030 . 2 . . . A 83 GLU HG2 . 11597 1 1030 . 1 1 90 90 GLU HG3 H 1 2.055 0.030 . 2 . . . A 83 GLU HG3 . 11597 1 1031 . 1 1 90 90 GLU C C 13 174.436 0.300 . 1 . . . A 83 GLU C . 11597 1 1032 . 1 1 90 90 GLU CA C 13 55.570 0.300 . 1 . . . A 83 GLU CA . 11597 1 1033 . 1 1 90 90 GLU CB C 13 31.508 0.300 . 1 . . . A 83 GLU CB . 11597 1 1034 . 1 1 90 90 GLU CG C 13 35.914 0.300 . 1 . . . A 83 GLU CG . 11597 1 1035 . 1 1 90 90 GLU N N 15 115.665 0.300 . 1 . . . A 83 GLU N . 11597 1 1036 . 1 1 91 91 HIS H H 1 7.355 0.030 . 1 . . . A 84 HIS H . 11597 1 1037 . 1 1 91 91 HIS HA H 1 4.389 0.030 . 1 . . . A 84 HIS HA . 11597 1 1038 . 1 1 91 91 HIS HB2 H 1 1.930 0.030 . 2 . . . A 84 HIS HB2 . 11597 1 1039 . 1 1 91 91 HIS HB3 H 1 3.054 0.030 . 2 . . . A 84 HIS HB3 . 11597 1 1040 . 1 1 91 91 HIS HD2 H 1 6.721 0.030 . 1 . . . A 84 HIS HD2 . 11597 1 1041 . 1 1 91 91 HIS HE1 H 1 8.150 0.030 . 1 . . . A 84 HIS HE1 . 11597 1 1042 . 1 1 91 91 HIS C C 13 172.308 0.300 . 1 . . . A 84 HIS C . 11597 1 1043 . 1 1 91 91 HIS CA C 13 55.094 0.300 . 1 . . . A 84 HIS CA . 11597 1 1044 . 1 1 91 91 HIS CB C 13 30.609 0.300 . 1 . . . A 84 HIS CB . 11597 1 1045 . 1 1 91 91 HIS CD2 C 13 120.297 0.300 . 1 . . . A 84 HIS CD2 . 11597 1 1046 . 1 1 91 91 HIS CE1 C 13 135.654 0.300 . 1 . . . A 84 HIS CE1 . 11597 1 1047 . 1 1 91 91 HIS N N 15 117.703 0.300 . 1 . . . A 84 HIS N . 11597 1 1048 . 1 1 92 92 GLU H H 1 8.391 0.030 . 1 . . . A 85 GLU H . 11597 1 1049 . 1 1 92 92 GLU HA H 1 3.705 0.030 . 1 . . . A 85 GLU HA . 11597 1 1050 . 1 1 92 92 GLU HB2 H 1 1.815 0.030 . 1 . . . A 85 GLU HB2 . 11597 1 1051 . 1 1 92 92 GLU HB3 H 1 1.636 0.030 . 1 . . . A 85 GLU HB3 . 11597 1 1052 . 1 1 92 92 GLU HG2 H 1 2.175 0.030 . 2 . . . A 85 GLU HG2 . 11597 1 1053 . 1 1 92 92 GLU HG3 H 1 2.239 0.030 . 2 . . . A 85 GLU HG3 . 11597 1 1054 . 1 1 92 92 GLU C C 13 177.512 0.300 . 1 . . . A 85 GLU C . 11597 1 1055 . 1 1 92 92 GLU CA C 13 57.702 0.300 . 1 . . . A 85 GLU CA . 11597 1 1056 . 1 1 92 92 GLU CB C 13 30.184 0.300 . 1 . . . A 85 GLU CB . 11597 1 1057 . 1 1 92 92 GLU CG C 13 36.699 0.300 . 1 . . . A 85 GLU CG . 11597 1 1058 . 1 1 92 92 GLU N N 15 117.931 0.300 . 1 . . . A 85 GLU N . 11597 1 1059 . 1 1 93 93 LEU H H 1 7.299 0.030 . 1 . . . A 86 LEU H . 11597 1 1060 . 1 1 93 93 LEU HA H 1 4.164 0.030 . 1 . . . A 86 LEU HA . 11597 1 1061 . 1 1 93 93 LEU HB2 H 1 1.819 0.030 . 1 . . . A 86 LEU HB2 . 11597 1 1062 . 1 1 93 93 LEU HB3 H 1 1.242 0.030 . 1 . . . A 86 LEU HB3 . 11597 1 1063 . 1 1 93 93 LEU HG H 1 1.081 0.030 . 1 . . . A 86 LEU HG . 11597 1 1064 . 1 1 93 93 LEU HD11 H 1 0.277 0.030 . 1 . . . A 86 LEU HD11 . 11597 1 1065 . 1 1 93 93 LEU HD12 H 1 0.277 0.030 . 1 . . . A 86 LEU HD12 . 11597 1 1066 . 1 1 93 93 LEU HD13 H 1 0.277 0.030 . 1 . . . A 86 LEU HD13 . 11597 1 1067 . 1 1 93 93 LEU HD21 H 1 -0.777 0.030 . 1 . . . A 86 LEU HD21 . 11597 1 1068 . 1 1 93 93 LEU HD22 H 1 -0.777 0.030 . 1 . . . A 86 LEU HD22 . 11597 1 1069 . 1 1 93 93 LEU HD23 H 1 -0.777 0.030 . 1 . . . A 86 LEU HD23 . 11597 1 1070 . 1 1 93 93 LEU C C 13 175.759 0.300 . 1 . . . A 86 LEU C . 11597 1 1071 . 1 1 93 93 LEU CA C 13 55.210 0.300 . 1 . . . A 86 LEU CA . 11597 1 1072 . 1 1 93 93 LEU CB C 13 38.592 0.300 . 1 . . . A 86 LEU CB . 11597 1 1073 . 1 1 93 93 LEU CG C 13 27.051 0.300 . 1 . . . A 86 LEU CG . 11597 1 1074 . 1 1 93 93 LEU CD1 C 13 26.126 0.300 . 1 . . . A 86 LEU CD1 . 11597 1 1075 . 1 1 93 93 LEU CD2 C 13 21.543 0.300 . 1 . . . A 86 LEU CD2 . 11597 1 1076 . 1 1 93 93 LEU N N 15 123.635 0.300 . 1 . . . A 86 LEU N . 11597 1 1077 . 1 1 94 94 GLU H H 1 8.246 0.030 . 1 . . . A 87 GLU H . 11597 1 1078 . 1 1 94 94 GLU HA H 1 3.914 0.030 . 1 . . . A 87 GLU HA . 11597 1 1079 . 1 1 94 94 GLU HB2 H 1 2.099 0.030 . 2 . . . A 87 GLU HB2 . 11597 1 1080 . 1 1 94 94 GLU HB3 H 1 1.735 0.030 . 2 . . . A 87 GLU HB3 . 11597 1 1081 . 1 1 94 94 GLU HG2 H 1 1.586 0.030 . 2 . . . A 87 GLU HG2 . 11597 1 1082 . 1 1 94 94 GLU HG3 H 1 2.039 0.030 . 2 . . . A 87 GLU HG3 . 11597 1 1083 . 1 1 94 94 GLU C C 13 176.779 0.300 . 1 . . . A 87 GLU C . 11597 1 1084 . 1 1 94 94 GLU CA C 13 59.865 0.300 . 1 . . . A 87 GLU CA . 11597 1 1085 . 1 1 94 94 GLU CB C 13 30.366 0.300 . 1 . . . A 87 GLU CB . 11597 1 1086 . 1 1 94 94 GLU CG C 13 36.192 0.300 . 1 . . . A 87 GLU CG . 11597 1 1087 . 1 1 94 94 GLU N N 15 121.391 0.300 . 1 . . . A 87 GLU N . 11597 1 1088 . 1 1 95 95 TYR H H 1 9.124 0.030 . 1 . . . A 88 TYR H . 11597 1 1089 . 1 1 95 95 TYR HA H 1 4.588 0.030 . 1 . . . A 88 TYR HA . 11597 1 1090 . 1 1 95 95 TYR HB2 H 1 2.768 0.030 . 1 . . . A 88 TYR HB2 . 11597 1 1091 . 1 1 95 95 TYR HB3 H 1 3.182 0.030 . 1 . . . A 88 TYR HB3 . 11597 1 1092 . 1 1 95 95 TYR HD1 H 1 7.039 0.030 . 1 . . . A 88 TYR HD1 . 11597 1 1093 . 1 1 95 95 TYR HD2 H 1 7.039 0.030 . 1 . . . A 88 TYR HD2 . 11597 1 1094 . 1 1 95 95 TYR HE1 H 1 6.738 0.030 . 1 . . . A 88 TYR HE1 . 11597 1 1095 . 1 1 95 95 TYR HE2 H 1 6.738 0.030 . 1 . . . A 88 TYR HE2 . 11597 1 1096 . 1 1 95 95 TYR C C 13 175.991 0.300 . 1 . . . A 88 TYR C . 11597 1 1097 . 1 1 95 95 TYR CA C 13 58.686 0.300 . 1 . . . A 88 TYR CA . 11597 1 1098 . 1 1 95 95 TYR CB C 13 41.001 0.300 . 1 . . . A 88 TYR CB . 11597 1 1099 . 1 1 95 95 TYR CD1 C 13 133.410 0.300 . 1 . . . A 88 TYR CD1 . 11597 1 1100 . 1 1 95 95 TYR CD2 C 13 133.410 0.300 . 1 . . . A 88 TYR CD2 . 11597 1 1101 . 1 1 95 95 TYR CE1 C 13 118.454 0.300 . 1 . . . A 88 TYR CE1 . 11597 1 1102 . 1 1 95 95 TYR CE2 C 13 118.454 0.300 . 1 . . . A 88 TYR CE2 . 11597 1 1103 . 1 1 95 95 TYR N N 15 113.766 0.300 . 1 . . . A 88 TYR N . 11597 1 1104 . 1 1 96 96 SER H H 1 8.963 0.030 . 1 . . . A 89 SER H . 11597 1 1105 . 1 1 96 96 SER HA H 1 4.880 0.030 . 1 . . . A 89 SER HA . 11597 1 1106 . 1 1 96 96 SER HB2 H 1 3.658 0.030 . 2 . . . A 89 SER HB2 . 11597 1 1107 . 1 1 96 96 SER HB3 H 1 3.766 0.030 . 2 . . . A 89 SER HB3 . 11597 1 1108 . 1 1 96 96 SER C C 13 174.704 0.300 . 1 . . . A 89 SER C . 11597 1 1109 . 1 1 96 96 SER CA C 13 56.748 0.300 . 1 . . . A 89 SER CA . 11597 1 1110 . 1 1 96 96 SER CB C 13 65.817 0.300 . 1 . . . A 89 SER CB . 11597 1 1111 . 1 1 96 96 SER N N 15 113.598 0.300 . 1 . . . A 89 SER N . 11597 1 1112 . 1 1 97 97 SER H H 1 8.327 0.030 . 1 . . . A 90 SER H . 11597 1 1113 . 1 1 97 97 SER HA H 1 4.911 0.030 . 1 . . . A 90 SER HA . 11597 1 1114 . 1 1 97 97 SER HB2 H 1 3.402 0.030 . 2 . . . A 90 SER HB2 . 11597 1 1115 . 1 1 97 97 SER HB3 H 1 3.874 0.030 . 2 . . . A 90 SER HB3 . 11597 1 1116 . 1 1 97 97 SER C C 13 174.901 0.300 . 1 . . . A 90 SER C . 11597 1 1117 . 1 1 97 97 SER CA C 13 58.218 0.300 . 1 . . . A 90 SER CA . 11597 1 1118 . 1 1 97 97 SER CB C 13 64.878 0.300 . 1 . . . A 90 SER CB . 11597 1 1119 . 1 1 97 97 SER N N 15 118.921 0.300 . 1 . . . A 90 SER N . 11597 1 1120 . 1 1 98 98 LEU H H 1 8.838 0.030 . 1 . . . A 91 LEU H . 11597 1 1121 . 1 1 98 98 LEU HA H 1 4.038 0.030 . 1 . . . A 91 LEU HA . 11597 1 1122 . 1 1 98 98 LEU HB2 H 1 1.135 0.030 . 1 . . . A 91 LEU HB2 . 11597 1 1123 . 1 1 98 98 LEU HB3 H 1 0.488 0.030 . 1 . . . A 91 LEU HB3 . 11597 1 1124 . 1 1 98 98 LEU HG H 1 1.253 0.030 . 1 . . . A 91 LEU HG . 11597 1 1125 . 1 1 98 98 LEU HD11 H 1 -0.155 0.030 . 1 . . . A 91 LEU HD11 . 11597 1 1126 . 1 1 98 98 LEU HD12 H 1 -0.155 0.030 . 1 . . . A 91 LEU HD12 . 11597 1 1127 . 1 1 98 98 LEU HD13 H 1 -0.155 0.030 . 1 . . . A 91 LEU HD13 . 11597 1 1128 . 1 1 98 98 LEU HD21 H 1 0.269 0.030 . 1 . . . A 91 LEU HD21 . 11597 1 1129 . 1 1 98 98 LEU HD22 H 1 0.269 0.030 . 1 . . . A 91 LEU HD22 . 11597 1 1130 . 1 1 98 98 LEU HD23 H 1 0.269 0.030 . 1 . . . A 91 LEU HD23 . 11597 1 1131 . 1 1 98 98 LEU C C 13 177.083 0.300 . 1 . . . A 91 LEU C . 11597 1 1132 . 1 1 98 98 LEU CA C 13 55.074 0.300 . 1 . . . A 91 LEU CA . 11597 1 1133 . 1 1 98 98 LEU CB C 13 40.549 0.300 . 1 . . . A 91 LEU CB . 11597 1 1134 . 1 1 98 98 LEU CG C 13 25.361 0.300 . 1 . . . A 91 LEU CG . 11597 1 1135 . 1 1 98 98 LEU CD1 C 13 25.416 0.300 . 1 . . . A 91 LEU CD1 . 11597 1 1136 . 1 1 98 98 LEU CD2 C 13 22.457 0.300 . 1 . . . A 91 LEU CD2 . 11597 1 1137 . 1 1 98 98 LEU N N 15 119.193 0.300 . 1 . . . A 91 LEU N . 11597 1 1138 . 1 1 99 99 LYS H H 1 9.100 0.030 . 1 . . . A 92 LYS H . 11597 1 1139 . 1 1 99 99 LYS HA H 1 4.631 0.030 . 1 . . . A 92 LYS HA . 11597 1 1140 . 1 1 99 99 LYS HB2 H 1 1.754 0.030 . 1 . . . A 92 LYS HB2 . 11597 1 1141 . 1 1 99 99 LYS HB3 H 1 1.922 0.030 . 1 . . . A 92 LYS HB3 . 11597 1 1142 . 1 1 99 99 LYS HG2 H 1 1.355 0.030 . 2 . . . A 92 LYS HG2 . 11597 1 1143 . 1 1 99 99 LYS HG3 H 1 1.528 0.030 . 2 . . . A 92 LYS HG3 . 11597 1 1144 . 1 1 99 99 LYS HD2 H 1 1.706 0.030 . 1 . . . A 92 LYS HD2 . 11597 1 1145 . 1 1 99 99 LYS HD3 H 1 1.706 0.030 . 1 . . . A 92 LYS HD3 . 11597 1 1146 . 1 1 99 99 LYS HE2 H 1 2.930 0.030 . 1 . . . A 92 LYS HE2 . 11597 1 1147 . 1 1 99 99 LYS HE3 H 1 2.930 0.030 . 1 . . . A 92 LYS HE3 . 11597 1 1148 . 1 1 99 99 LYS C C 13 176.135 0.300 . 1 . . . A 92 LYS C . 11597 1 1149 . 1 1 99 99 LYS CA C 13 56.916 0.300 . 1 . . . A 92 LYS CA . 11597 1 1150 . 1 1 99 99 LYS CB C 13 34.817 0.300 . 1 . . . A 92 LYS CB . 11597 1 1151 . 1 1 99 99 LYS CG C 13 25.164 0.300 . 1 . . . A 92 LYS CG . 11597 1 1152 . 1 1 99 99 LYS CD C 13 28.628 0.300 . 1 . . . A 92 LYS CD . 11597 1 1153 . 1 1 99 99 LYS CE C 13 42.383 0.300 . 1 . . . A 92 LYS CE . 11597 1 1154 . 1 1 99 99 LYS N N 15 120.489 0.300 . 1 . . . A 92 LYS N . 11597 1 1155 . 1 1 100 100 GLN H H 1 7.608 0.030 . 1 . . . A 93 GLN H . 11597 1 1156 . 1 1 100 100 GLN HA H 1 5.067 0.030 . 1 . . . A 93 GLN HA . 11597 1 1157 . 1 1 100 100 GLN HB2 H 1 2.008 0.030 . 2 . . . A 93 GLN HB2 . 11597 1 1158 . 1 1 100 100 GLN HB3 H 1 2.223 0.030 . 2 . . . A 93 GLN HB3 . 11597 1 1159 . 1 1 100 100 GLN HG2 H 1 2.359 0.030 . 1 . . . A 93 GLN HG2 . 11597 1 1160 . 1 1 100 100 GLN HG3 H 1 2.359 0.030 . 1 . . . A 93 GLN HG3 . 11597 1 1161 . 1 1 100 100 GLN HE21 H 1 7.470 0.030 . 2 . . . A 93 GLN HE21 . 11597 1 1162 . 1 1 100 100 GLN HE22 H 1 6.767 0.030 . 2 . . . A 93 GLN HE22 . 11597 1 1163 . 1 1 100 100 GLN C C 13 171.789 0.300 . 1 . . . A 93 GLN C . 11597 1 1164 . 1 1 100 100 GLN CA C 13 53.016 0.300 . 1 . . . A 93 GLN CA . 11597 1 1165 . 1 1 100 100 GLN CB C 13 30.428 0.300 . 1 . . . A 93 GLN CB . 11597 1 1166 . 1 1 100 100 GLN CG C 13 32.802 0.300 . 1 . . . A 93 GLN CG . 11597 1 1167 . 1 1 100 100 GLN N N 15 115.772 0.300 . 1 . . . A 93 GLN N . 11597 1 1168 . 1 1 100 100 GLN NE2 N 15 111.404 0.300 . 1 . . . A 93 GLN NE2 . 11597 1 1169 . 1 1 101 101 PRO HA H 1 3.768 0.030 . 1 . . . A 94 PRO HA . 11597 1 1170 . 1 1 101 101 PRO HB2 H 1 1.700 0.030 . 1 . . . A 94 PRO HB2 . 11597 1 1171 . 1 1 101 101 PRO HB3 H 1 1.647 0.030 . 1 . . . A 94 PRO HB3 . 11597 1 1172 . 1 1 101 101 PRO HG2 H 1 2.165 0.030 . 1 . . . A 94 PRO HG2 . 11597 1 1173 . 1 1 101 101 PRO HG3 H 1 2.053 0.030 . 1 . . . A 94 PRO HG3 . 11597 1 1174 . 1 1 101 101 PRO HD2 H 1 3.870 0.030 . 1 . . . A 94 PRO HD2 . 11597 1 1175 . 1 1 101 101 PRO HD3 H 1 3.870 0.030 . 1 . . . A 94 PRO HD3 . 11597 1 1176 . 1 1 101 101 PRO C C 13 177.047 0.300 . 1 . . . A 94 PRO C . 11597 1 1177 . 1 1 101 101 PRO CA C 13 61.287 0.300 . 1 . . . A 94 PRO CA . 11597 1 1178 . 1 1 101 101 PRO CB C 13 31.944 0.300 . 1 . . . A 94 PRO CB . 11597 1 1179 . 1 1 101 101 PRO CG C 13 27.133 0.300 . 1 . . . A 94 PRO CG . 11597 1 1180 . 1 1 101 101 PRO CD C 13 50.697 0.300 . 1 . . . A 94 PRO CD . 11597 1 1181 . 1 1 102 102 LEU H H 1 8.485 0.030 . 1 . . . A 95 LEU H . 11597 1 1182 . 1 1 102 102 LEU HA H 1 4.190 0.030 . 1 . . . A 95 LEU HA . 11597 1 1183 . 1 1 102 102 LEU HB2 H 1 0.973 0.030 . 1 . . . A 95 LEU HB2 . 11597 1 1184 . 1 1 102 102 LEU HB3 H 1 1.535 0.030 . 1 . . . A 95 LEU HB3 . 11597 1 1185 . 1 1 102 102 LEU HG H 1 1.621 0.030 . 1 . . . A 95 LEU HG . 11597 1 1186 . 1 1 102 102 LEU HD11 H 1 0.947 0.030 . 1 . . . A 95 LEU HD11 . 11597 1 1187 . 1 1 102 102 LEU HD12 H 1 0.947 0.030 . 1 . . . A 95 LEU HD12 . 11597 1 1188 . 1 1 102 102 LEU HD13 H 1 0.947 0.030 . 1 . . . A 95 LEU HD13 . 11597 1 1189 . 1 1 102 102 LEU HD21 H 1 0.673 0.030 . 1 . . . A 95 LEU HD21 . 11597 1 1190 . 1 1 102 102 LEU HD22 H 1 0.673 0.030 . 1 . . . A 95 LEU HD22 . 11597 1 1191 . 1 1 102 102 LEU HD23 H 1 0.673 0.030 . 1 . . . A 95 LEU HD23 . 11597 1 1192 . 1 1 102 102 LEU C C 13 175.849 0.300 . 1 . . . A 95 LEU C . 11597 1 1193 . 1 1 102 102 LEU CA C 13 55.053 0.300 . 1 . . . A 95 LEU CA . 11597 1 1194 . 1 1 102 102 LEU CB C 13 42.157 0.300 . 1 . . . A 95 LEU CB . 11597 1 1195 . 1 1 102 102 LEU CG C 13 27.045 0.300 . 1 . . . A 95 LEU CG . 11597 1 1196 . 1 1 102 102 LEU CD1 C 13 24.270 0.300 . 1 . . . A 95 LEU CD1 . 11597 1 1197 . 1 1 102 102 LEU CD2 C 13 26.620 0.300 . 1 . . . A 95 LEU CD2 . 11597 1 1198 . 1 1 102 102 LEU N N 15 125.368 0.300 . 1 . . . A 95 LEU N . 11597 1 1199 . 1 1 103 103 GLN H H 1 8.551 0.030 . 1 . . . A 96 GLN H . 11597 1 1200 . 1 1 103 103 GLN HA H 1 4.321 0.030 . 1 . . . A 96 GLN HA . 11597 1 1201 . 1 1 103 103 GLN HB2 H 1 2.028 0.030 . 2 . . . A 96 GLN HB2 . 11597 1 1202 . 1 1 103 103 GLN HB3 H 1 2.102 0.030 . 2 . . . A 96 GLN HB3 . 11597 1 1203 . 1 1 103 103 GLN HG2 H 1 2.368 0.030 . 2 . . . A 96 GLN HG2 . 11597 1 1204 . 1 1 103 103 GLN HG3 H 1 2.414 0.030 . 2 . . . A 96 GLN HG3 . 11597 1 1205 . 1 1 103 103 GLN HE21 H 1 7.745 0.030 . 2 . . . A 96 GLN HE21 . 11597 1 1206 . 1 1 103 103 GLN HE22 H 1 6.855 0.030 . 2 . . . A 96 GLN HE22 . 11597 1 1207 . 1 1 103 103 GLN C C 13 175.330 0.300 . 1 . . . A 96 GLN C . 11597 1 1208 . 1 1 103 103 GLN CA C 13 56.256 0.300 . 1 . . . A 96 GLN CA . 11597 1 1209 . 1 1 103 103 GLN CB C 13 29.530 0.300 . 1 . . . A 96 GLN CB . 11597 1 1210 . 1 1 103 103 GLN CG C 13 33.886 0.300 . 1 . . . A 96 GLN CG . 11597 1 1211 . 1 1 103 103 GLN N N 15 128.144 0.300 . 1 . . . A 96 GLN N . 11597 1 1212 . 1 1 103 103 GLN NE2 N 15 112.920 0.300 . 1 . . . A 96 GLN NE2 . 11597 1 1213 . 1 1 104 104 ARG H H 1 8.297 0.030 . 1 . . . A 97 ARG H . 11597 1 1214 . 1 1 104 104 ARG HA H 1 3.865 0.030 . 1 . . . A 97 ARG HA . 11597 1 1215 . 1 1 104 104 ARG HB2 H 1 1.413 0.030 . 2 . . . A 97 ARG HB2 . 11597 1 1216 . 1 1 104 104 ARG HB3 H 1 1.467 0.030 . 2 . . . A 97 ARG HB3 . 11597 1 1217 . 1 1 104 104 ARG HG2 H 1 1.264 0.030 . 2 . . . A 97 ARG HG2 . 11597 1 1218 . 1 1 104 104 ARG HG3 H 1 1.338 0.030 . 2 . . . A 97 ARG HG3 . 11597 1 1219 . 1 1 104 104 ARG HD2 H 1 2.969 0.030 . 1 . . . A 97 ARG HD2 . 11597 1 1220 . 1 1 104 104 ARG HD3 H 1 2.969 0.030 . 1 . . . A 97 ARG HD3 . 11597 1 1221 . 1 1 104 104 ARG C C 13 181.196 0.300 . 1 . . . A 97 ARG C . 11597 1 1222 . 1 1 104 104 ARG CA C 13 58.165 0.300 . 1 . . . A 97 ARG CA . 11597 1 1223 . 1 1 104 104 ARG CB C 13 31.046 0.300 . 1 . . . A 97 ARG CB . 11597 1 1224 . 1 1 104 104 ARG CG C 13 27.200 0.300 . 1 . . . A 97 ARG CG . 11597 1 1225 . 1 1 104 104 ARG CD C 13 43.633 0.300 . 1 . . . A 97 ARG CD . 11597 1 1226 . 1 1 104 104 ARG N N 15 129.682 0.300 . 1 . . . A 97 ARG N . 11597 1 stop_ save_