data_4162 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4162 _Entry.Title ; 1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-07-14 _Entry.Accession_date 1998-07-14 _Entry.Last_release_date 2000-03-08 _Entry.Original_release_date 2000-03-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Peter Jensen . H. . 4162 2 Niels Thomsen . K. . 4162 3 Vladislav Soroka . . . 4162 4 Vladimir Berezin . . . 4162 5 Elisabeth Bock . . . 4162 6 Flemming Poulsen . M. . 4162 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4162 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 4162 '15N chemical shifts' 112 4162 '1H chemical shifts' 691 4162 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 . . 2000-03-08 1998-07-14 original author . 4162 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4143 'Neural Cell Adhesion Molecule module 2' 4162 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4162 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99356752 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Jensen, P. H., Thomsen, N. K., Soroka, V., Berezin, V., Bock, E., and Poulsen, F. M., "1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1," J. Biomol. NMR 14, 185-186 (1999). ; _Citation.Title ; 1H, 13C and 15N Resonance Assignment of the Neural Cell Adhesion Molecule Module-1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 14 _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 185 _Citation.Page_last 186 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Peter Jensen . H. . 4162 1 2 Niels Thomsen . K. . 4162 1 3 Vladislav Soroka . . . 4162 1 4 Vladimir Berezin . . . 4162 1 5 Elisabeth Bock . . . 4162 1 6 Flemming Poulsen . M. . 4162 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID M1 4162 1 'Module 1' 4162 1 NCAM 4162 1 'Neural Cell Adhesion Molecule' 4162 1 NMR 4162 1 'nuclear magnetic resonance' 4162 1 protein 4162 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_NCAM_M1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_NCAM_M1 _Assembly.Entry_ID 4162 _Assembly.ID 1 _Assembly.Name 'Neural cell adhesion molecule module 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4162 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'NCAM M1' 1 $NCAM_M1 . . . native . . . . . 4162 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 24 24 SG . 1 . 1 CYS 79 79 SG . . . . . . . . . . 4162 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1EPF . 'A Chain A, Crystal Structure Of The Two N-Terminal Immunoglobulin Domains Of The Neural Cell Adhesion Molecule (Ncam)' . . . . 4162 1 yes PDB 2NCM . 'Neural Cell Adhesion Molecule, Nmr, 20 Structures' . . . . 4162 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'NCAM M1' abbreviation 4162 1 'Neural cell adhesion molecule module 1' system 4162 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Cell adhesion' 4162 1 'Heterophilic binding' 4162 1 'Homophilic binding' 4162 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NCAM_M1 _Entity.Sf_category entity _Entity.Sf_framecode NCAM_M1 _Entity.Entry_ID 4162 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Neural cell adhesion molecule module 1' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; RVLQVDIVPSQGEISVGESK FFLCQVAGDAKDKDISWFSP NGEKLSPNQQRISVVWNDDD SSTLTIYNANIDDAGIYKCV VTAEDGTQSEATVNVKIFQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 99 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1EPF . "Crystal Structure Of The Two N-Terminal Immunoglobulin Domains Of The Neural Cell Adhesion Molecule (Ncam)" . . . . . 100.00 191 100.00 100.00 6.88e-63 . . . . 4162 1 2 no PDB 1QZ1 . "Crystal Structure Of The Ig 1-2-3 Fragment Of Ncam" . . . . . 100.00 291 100.00 100.00 6.19e-62 . . . . 4162 1 3 no PDB 2NCM . "Neural Cell Adhesion Molecule, Nmr, 20 Structures" . . . . . 100.00 99 100.00 100.00 5.12e-64 . . . . 4162 1 4 no DBJ BAC34554 . "unnamed protein product [Mus musculus]" . . . . . 97.98 839 100.00 100.00 2.02e-57 . . . . 4162 1 5 no DBJ BAC38551 . "unnamed protein product [Mus musculus]" . . . . . 97.98 839 100.00 100.00 1.81e-57 . . . . 4162 1 6 no EMBL CAA29809 . "unnamed protein product [Rattus norvegicus]" . . . . . 97.98 858 100.00 100.00 1.57e-57 . . . . 4162 1 7 no EMBL CAA33148 . "cell adhesion molecule (AA 1 - 681) (2262 is 1st base in codon) [Mus musculus]" . . . . . 97.98 681 98.97 100.00 2.30e-57 . . . . 4162 1 8 no EMBL CAA34470 . "calmodulin-independent adenylate cyclase [Bos taurus]" . . . . . 97.98 853 96.91 98.97 5.60e-56 . . . . 4162 1 9 no EMBL CAA68263 . "unnamed protein product [Mus musculus]" . . . . . 97.98 725 100.00 100.00 1.12e-57 . . . . 4162 1 10 no GB AAH11310 . "Ncam1 protein [Mus musculus]" . . . . . 97.98 605 100.00 100.00 5.67e-58 . . . . 4162 1 11 no GB AAI01925 . "Ncam1 protein [Rattus norvegicus]" . . . . . 97.98 849 100.00 100.00 1.38e-57 . . . . 4162 1 12 no GB AAI51710 . "NCAM1 protein [Bos taurus]" . . . . . 97.98 853 96.91 98.97 5.07e-56 . . . . 4162 1 13 no GB AAX08690 . "neural cell adhesion molecule 1 [Bos taurus]" . . . . . 97.98 843 96.91 98.97 5.46e-56 . . . . 4162 1 14 no GB EDL25727 . "neural cell adhesion molecule 1, isoform CRA_a, partial [Mus musculus]" . . . . . 71.72 560 100.00 100.00 4.31e-39 . . . . 4162 1 15 no PRF 1514117A . "adenylate cyclase" . . . . . 97.98 853 96.91 98.97 5.60e-56 . . . . 4162 1 16 no PRF 1803247A . "calmodulin-insensitive adenylate cyclase" . . . . . 97.98 853 96.91 98.97 5.60e-56 . . . . 4162 1 17 no REF NP_001074914 . "neural cell adhesion molecule 1 isoform 1 precursor [Mus musculus]" . . . . . 97.98 848 100.00 100.00 1.39e-57 . . . . 4162 1 18 no REF NP_001106675 . "neural cell adhesion molecule 1 isoform 3 precursor [Mus musculus]" . . . . . 97.98 1115 100.00 100.00 6.64e-58 . . . . 4162 1 19 no REF NP_001297994 . "neural cell adhesion molecule 1 isoform 4 precursor [Mus musculus]" . . . . . 97.98 849 100.00 100.00 1.36e-57 . . . . 4162 1 20 no REF NP_035005 . "neural cell adhesion molecule 1 isoform 2 precursor [Mus musculus]" . . . . . 97.98 725 100.00 100.00 1.18e-57 . . . . 4162 1 21 no REF NP_113709 . "neural cell adhesion molecule 1 precursor [Rattus norvegicus]" . . . . . 97.98 858 100.00 100.00 1.57e-57 . . . . 4162 1 22 no SP P13595 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" . . . . . 97.98 1115 100.00 100.00 6.98e-58 . . . . 4162 1 23 no SP P13596 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; AltName: CD_antigen=CD56; Flags: Precursor" . . . . . 97.98 858 100.00 100.00 1.57e-57 . . . . 4162 1 24 no SP P31836 . "RecName: Full=Neural cell adhesion molecule 1; Short=N-CAM-1; Short=NCAM-1; Flags: Precursor" . . . . . 97.98 853 96.91 98.97 5.60e-56 . . . . 4162 1 25 no TPG DAA22362 . "TPA: neural cell adhesion molecule 1 precursor [Bos taurus]" . . . . . 97.98 853 96.91 98.97 5.07e-56 . . . . 4162 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'NCAM M1' abbreviation 4162 1 'Neural cell adhesion molecule module 1' common 4162 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ARG . 4162 1 2 . VAL . 4162 1 3 . LEU . 4162 1 4 . GLN . 4162 1 5 . VAL . 4162 1 6 . ASP . 4162 1 7 . ILE . 4162 1 8 . VAL . 4162 1 9 . PRO . 4162 1 10 . SER . 4162 1 11 . GLN . 4162 1 12 . GLY . 4162 1 13 . GLU . 4162 1 14 . ILE . 4162 1 15 . SER . 4162 1 16 . VAL . 4162 1 17 . GLY . 4162 1 18 . GLU . 4162 1 19 . SER . 4162 1 20 . LYS . 4162 1 21 . PHE . 4162 1 22 . PHE . 4162 1 23 . LEU . 4162 1 24 . CYS . 4162 1 25 . GLN . 4162 1 26 . VAL . 4162 1 27 . ALA . 4162 1 28 . GLY . 4162 1 29 . ASP . 4162 1 30 . ALA . 4162 1 31 . LYS . 4162 1 32 . ASP . 4162 1 33 . LYS . 4162 1 34 . ASP . 4162 1 35 . ILE . 4162 1 36 . SER . 4162 1 37 . TRP . 4162 1 38 . PHE . 4162 1 39 . SER . 4162 1 40 . PRO . 4162 1 41 . ASN . 4162 1 42 . GLY . 4162 1 43 . GLU . 4162 1 44 . LYS . 4162 1 45 . LEU . 4162 1 46 . SER . 4162 1 47 . PRO . 4162 1 48 . ASN . 4162 1 49 . GLN . 4162 1 50 . GLN . 4162 1 51 . ARG . 4162 1 52 . ILE . 4162 1 53 . SER . 4162 1 54 . VAL . 4162 1 55 . VAL . 4162 1 56 . TRP . 4162 1 57 . ASN . 4162 1 58 . ASP . 4162 1 59 . ASP . 4162 1 60 . ASP . 4162 1 61 . SER . 4162 1 62 . SER . 4162 1 63 . THR . 4162 1 64 . LEU . 4162 1 65 . THR . 4162 1 66 . ILE . 4162 1 67 . TYR . 4162 1 68 . ASN . 4162 1 69 . ALA . 4162 1 70 . ASN . 4162 1 71 . ILE . 4162 1 72 . ASP . 4162 1 73 . ASP . 4162 1 74 . ALA . 4162 1 75 . GLY . 4162 1 76 . ILE . 4162 1 77 . TYR . 4162 1 78 . LYS . 4162 1 79 . CYS . 4162 1 80 . VAL . 4162 1 81 . VAL . 4162 1 82 . THR . 4162 1 83 . ALA . 4162 1 84 . GLU . 4162 1 85 . ASP . 4162 1 86 . GLY . 4162 1 87 . THR . 4162 1 88 . GLN . 4162 1 89 . SER . 4162 1 90 . GLU . 4162 1 91 . ALA . 4162 1 92 . THR . 4162 1 93 . VAL . 4162 1 94 . ASN . 4162 1 95 . VAL . 4162 1 96 . LYS . 4162 1 97 . ILE . 4162 1 98 . PHE . 4162 1 99 . GLN . 4162 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ARG 1 1 4162 1 . VAL 2 2 4162 1 . LEU 3 3 4162 1 . GLN 4 4 4162 1 . VAL 5 5 4162 1 . ASP 6 6 4162 1 . ILE 7 7 4162 1 . VAL 8 8 4162 1 . PRO 9 9 4162 1 . SER 10 10 4162 1 . GLN 11 11 4162 1 . GLY 12 12 4162 1 . GLU 13 13 4162 1 . ILE 14 14 4162 1 . SER 15 15 4162 1 . VAL 16 16 4162 1 . GLY 17 17 4162 1 . GLU 18 18 4162 1 . SER 19 19 4162 1 . LYS 20 20 4162 1 . PHE 21 21 4162 1 . PHE 22 22 4162 1 . LEU 23 23 4162 1 . CYS 24 24 4162 1 . GLN 25 25 4162 1 . VAL 26 26 4162 1 . ALA 27 27 4162 1 . GLY 28 28 4162 1 . ASP 29 29 4162 1 . ALA 30 30 4162 1 . LYS 31 31 4162 1 . ASP 32 32 4162 1 . LYS 33 33 4162 1 . ASP 34 34 4162 1 . ILE 35 35 4162 1 . SER 36 36 4162 1 . TRP 37 37 4162 1 . PHE 38 38 4162 1 . SER 39 39 4162 1 . PRO 40 40 4162 1 . ASN 41 41 4162 1 . GLY 42 42 4162 1 . GLU 43 43 4162 1 . LYS 44 44 4162 1 . LEU 45 45 4162 1 . SER 46 46 4162 1 . PRO 47 47 4162 1 . ASN 48 48 4162 1 . GLN 49 49 4162 1 . GLN 50 50 4162 1 . ARG 51 51 4162 1 . ILE 52 52 4162 1 . SER 53 53 4162 1 . VAL 54 54 4162 1 . VAL 55 55 4162 1 . TRP 56 56 4162 1 . ASN 57 57 4162 1 . ASP 58 58 4162 1 . ASP 59 59 4162 1 . ASP 60 60 4162 1 . SER 61 61 4162 1 . SER 62 62 4162 1 . THR 63 63 4162 1 . LEU 64 64 4162 1 . THR 65 65 4162 1 . ILE 66 66 4162 1 . TYR 67 67 4162 1 . ASN 68 68 4162 1 . ALA 69 69 4162 1 . ASN 70 70 4162 1 . ILE 71 71 4162 1 . ASP 72 72 4162 1 . ASP 73 73 4162 1 . ALA 74 74 4162 1 . GLY 75 75 4162 1 . ILE 76 76 4162 1 . TYR 77 77 4162 1 . LYS 78 78 4162 1 . CYS 79 79 4162 1 . VAL 80 80 4162 1 . VAL 81 81 4162 1 . THR 82 82 4162 1 . ALA 83 83 4162 1 . GLU 84 84 4162 1 . ASP 85 85 4162 1 . GLY 86 86 4162 1 . THR 87 87 4162 1 . GLN 88 88 4162 1 . SER 89 89 4162 1 . GLU 90 90 4162 1 . ALA 91 91 4162 1 . THR 92 92 4162 1 . VAL 93 93 4162 1 . ASN 94 94 4162 1 . VAL 95 95 4162 1 . LYS 96 96 4162 1 . ILE 97 97 4162 1 . PHE 98 98 4162 1 . GLN 99 99 4162 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 4162 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NCAM_M1 . 4922 . . 'Pichia pastoris' Fungi . . Eukaryota Fungi Pichia pastoris 'strain His 4 GS-115' . . . . . . . . . . . . . . . . . . . . 4162 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 4162 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NCAM_M1 . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4162 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4162 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neural cell adhesion molecule module 1' . . . 1 $NCAM_M1 . . 2.0 . . mM . . . . 4162 1 2 H2O . . . . . . . 90 . . % . . . . 4162 1 3 D2O . . . . . . . 10 . . % . . . . 4162 1 stop_ save_ save_sample_two _Sample.Sf_category sample _Sample.Sf_framecode sample_two _Sample.Entry_ID 4162 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neural cell adhesion molecule module 1' [U-15N] . . 1 $NCAM_M1 . . 1.0 . . mM . . . . 4162 2 2 H2O . . . . . . . 90 . . % . . . . 4162 2 3 D2O . . . . . . . 10 . . % . . . . 4162 2 stop_ save_ save_sample_three _Sample.Sf_category sample _Sample.Sf_framecode sample_three _Sample.Entry_ID 4162 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Neural cell adhesion molecule module 1' '[U-15N; U-13C]' . . 1 $NCAM_M1 . . 1.0 . . mM . . . . 4162 3 2 H2O . . . . . . . 90 . . % . . . . 4162 3 3 D2O . . . . . . . 10 . . % . . . . 4162 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4162 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 . n/a 4162 1 temperature 298 . K 4162 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4162 _Software.ID 1 _Software.Name PRONTO _Software.Version 970801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Carlsberg A/S' 'gamle carlsberg vej 10, DK-2500 Valby' fmp@crc.dk 4162 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 4162 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4162 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4162 _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 unknown unknown . . 'spectrometer information not available' . . 4162 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 4162 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4162 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . ppm . . . . . . . . . . . . . 4162 1 H 1 DSS methyl . . . . ppm 0.00 internal direct . . . . . . . . . . 4162 1 N 15 . . . . . . ppm . . . . . . . . . . . . . 4162 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_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4162 _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_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4162 1 . . 2 $sample_two . 4162 1 . . 3 $sample_three . 4162 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ARG HA H 1 4.08 . . 1 . . . . . . . . 4162 1 2 . 1 1 1 1 ARG HB2 H 1 1.81 . . 2 . . . . . . . . 4162 1 3 . 1 1 1 1 ARG HB3 H 1 1.86 . . 2 . . . . . . . . 4162 1 4 . 1 1 1 1 ARG HG2 H 1 1.56 . . 2 . . . . . . . . 4162 1 5 . 1 1 1 1 ARG HG3 H 1 1.64 . . 2 . . . . . . . . 4162 1 6 . 1 1 1 1 ARG HD2 H 1 3.12 . . 2 . . . . . . . . 4162 1 7 . 1 1 1 1 ARG HD3 H 1 3.18 . . 2 . . . . . . . . 4162 1 8 . 1 1 1 1 ARG HE H 1 7.48 . . 1 . . . . . . . . 4162 1 9 . 1 1 1 1 ARG C C 13 172.9 . . 1 . . . . . . . . 4162 1 10 . 1 1 1 1 ARG CA C 13 54.58 . . 1 . . . . . . . . 4162 1 11 . 1 1 1 1 ARG CB C 13 30.95 . . 1 . . . . . . . . 4162 1 12 . 1 1 1 1 ARG CG C 13 26.60 . . 1 . . . . . . . . 4162 1 13 . 1 1 1 1 ARG CD C 13 42.83 . . 1 . . . . . . . . 4162 1 14 . 1 1 1 1 ARG N N 15 122.65 . . 1 . . . . . . . . 4162 1 15 . 1 1 1 1 ARG NE N 15 82.78 . . 1 . . . . . . . . 4162 1 16 . 1 1 2 2 VAL H H 1 8.97 . . 1 . . . . . . . . 4162 1 17 . 1 1 2 2 VAL HA H 1 4.02 . . 1 . . . . . . . . 4162 1 18 . 1 1 2 2 VAL HB H 1 1.92 . . 1 . . . . . . . . 4162 1 19 . 1 1 2 2 VAL HG11 H 1 0.86 . . 1 . . . . . . . . 4162 1 20 . 1 1 2 2 VAL HG12 H 1 0.86 . . 1 . . . . . . . . 4162 1 21 . 1 1 2 2 VAL HG13 H 1 0.86 . . 1 . . . . . . . . 4162 1 22 . 1 1 2 2 VAL HG21 H 1 0.90 . . 1 . . . . . . . . 4162 1 23 . 1 1 2 2 VAL HG22 H 1 0.90 . . 1 . . . . . . . . 4162 1 24 . 1 1 2 2 VAL HG23 H 1 0.90 . . 1 . . . . . . . . 4162 1 25 . 1 1 2 2 VAL C C 13 175.8 . . 1 . . . . . . . . 4162 1 26 . 1 1 2 2 VAL CA C 13 62.33 . . 1 . . . . . . . . 4162 1 27 . 1 1 2 2 VAL CB C 13 32.85 . . 1 . . . . . . . . 4162 1 28 . 1 1 2 2 VAL CG1 C 13 21.15 . . 2 . . . . . . . . 4162 1 29 . 1 1 2 2 VAL CG2 C 13 20.99 . . 2 . . . . . . . . 4162 1 30 . 1 1 2 2 VAL N N 15 122.47 . . 1 . . . . . . . . 4162 1 31 . 1 1 3 3 LEU H H 1 8.38 . . 1 . . . . . . . . 4162 1 32 . 1 1 3 3 LEU HA H 1 4.61 . . 1 . . . . . . . . 4162 1 33 . 1 1 3 3 LEU HB2 H 1 1.38 . . 1 . . . . . . . . 4162 1 34 . 1 1 3 3 LEU HB3 H 1 1.38 . . 1 . . . . . . . . 4162 1 35 . 1 1 3 3 LEU HG H 1 1.29 . . 1 . . . . . . . . 4162 1 36 . 1 1 3 3 LEU HD11 H 1 0.66 . . 1 . . . . . . . . 4162 1 37 . 1 1 3 3 LEU HD12 H 1 0.66 . . 1 . . . . . . . . 4162 1 38 . 1 1 3 3 LEU HD13 H 1 0.66 . . 1 . . . . . . . . 4162 1 39 . 1 1 3 3 LEU HD21 H 1 0.66 . . 1 . . . . . . . . 4162 1 40 . 1 1 3 3 LEU HD22 H 1 0.66 . . 1 . . . . . . . . 4162 1 41 . 1 1 3 3 LEU HD23 H 1 0.66 . . 1 . . . . . . . . 4162 1 42 . 1 1 3 3 LEU C C 13 174.1 . . 1 . . . . . . . . 4162 1 43 . 1 1 3 3 LEU CA C 13 53.78 . . 1 . . . . . . . . 4162 1 44 . 1 1 3 3 LEU CB C 13 43.75 . . 1 . . . . . . . . 4162 1 45 . 1 1 3 3 LEU CG C 13 21.89 . . 1 . . . . . . . . 4162 1 46 . 1 1 3 3 LEU CD1 C 13 25.49 . . 1 . . . . . . . . 4162 1 47 . 1 1 3 3 LEU CD2 C 13 25.49 . . 1 . . . . . . . . 4162 1 48 . 1 1 3 3 LEU N N 15 124.93 . . 1 . . . . . . . . 4162 1 49 . 1 1 4 4 GLN H H 1 8.53 . . 1 . . . . . . . . 4162 1 50 . 1 1 4 4 GLN HA H 1 4.46 . . 1 . . . . . . . . 4162 1 51 . 1 1 4 4 GLN HB2 H 1 1.93 . . 2 . . . . . . . . 4162 1 52 . 1 1 4 4 GLN HB3 H 1 2.24 . . 2 . . . . . . . . 4162 1 53 . 1 1 4 4 GLN HG2 H 1 2.23 . . 1 . . . . . . . . 4162 1 54 . 1 1 4 4 GLN HG3 H 1 2.23 . . 1 . . . . . . . . 4162 1 55 . 1 1 4 4 GLN HE21 H 1 6.68 . . 2 . . . . . . . . 4162 1 56 . 1 1 4 4 GLN HE22 H 1 7.87 . . 2 . . . . . . . . 4162 1 57 . 1 1 4 4 GLN C C 13 174.2 . . 1 . . . . . . . . 4162 1 58 . 1 1 4 4 GLN CA C 13 54.63 . . 1 . . . . . . . . 4162 1 59 . 1 1 4 4 GLN CB C 13 30.71 . . 1 . . . . . . . . 4162 1 60 . 1 1 4 4 GLN CG C 13 33.62 . . 1 . . . . . . . . 4162 1 61 . 1 1 4 4 GLN N N 15 122.18 . . 1 . . . . . . . . 4162 1 62 . 1 1 4 4 GLN NE2 N 15 111.38 . . 1 . . . . . . . . 4162 1 63 . 1 1 5 5 VAL H H 1 8.34 . . 1 . . . . . . . . 4162 1 64 . 1 1 5 5 VAL HA H 1 4.71 . . 1 . . . . . . . . 4162 1 65 . 1 1 5 5 VAL HB H 1 1.58 . . 1 . . . . . . . . 4162 1 66 . 1 1 5 5 VAL HG11 H 1 0.63 . . 1 . . . . . . . . 4162 1 67 . 1 1 5 5 VAL HG12 H 1 0.63 . . 1 . . . . . . . . 4162 1 68 . 1 1 5 5 VAL HG13 H 1 0.63 . . 1 . . . . . . . . 4162 1 69 . 1 1 5 5 VAL HG21 H 1 0.61 . . 1 . . . . . . . . 4162 1 70 . 1 1 5 5 VAL HG22 H 1 0.61 . . 1 . . . . . . . . 4162 1 71 . 1 1 5 5 VAL HG23 H 1 0.61 . . 1 . . . . . . . . 4162 1 72 . 1 1 5 5 VAL C C 13 174.0 . . 1 . . . . . . . . 4162 1 73 . 1 1 5 5 VAL CA C 13 60.19 . . 1 . . . . . . . . 4162 1 74 . 1 1 5 5 VAL CB C 13 34.34 . . 1 . . . . . . . . 4162 1 75 . 1 1 5 5 VAL CG1 C 13 22.46 . . 1 . . . . . . . . 4162 1 76 . 1 1 5 5 VAL CG2 C 13 22.46 . . 1 . . . . . . . . 4162 1 77 . 1 1 5 5 VAL N N 15 123.69 . . 1 . . . . . . . . 4162 1 78 . 1 1 6 6 ASP H H 1 8.52 . . 1 . . . . . . . . 4162 1 79 . 1 1 6 6 ASP HA H 1 4.89 . . 1 . . . . . . . . 4162 1 80 . 1 1 6 6 ASP HB2 H 1 2.38 . . 2 . . . . . . . . 4162 1 81 . 1 1 6 6 ASP HB3 H 1 2.45 . . 2 . . . . . . . . 4162 1 82 . 1 1 6 6 ASP C C 13 174.3 . . 1 . . . . . . . . 4162 1 83 . 1 1 6 6 ASP CA C 13 52.88 . . 1 . . . . . . . . 4162 1 84 . 1 1 6 6 ASP CB C 13 44.91 . . 1 . . . . . . . . 4162 1 85 . 1 1 6 6 ASP N N 15 122.85 . . 1 . . . . . . . . 4162 1 86 . 1 1 7 7 ILE H H 1 8.33 . . 1 . . . . . . . . 4162 1 87 . 1 1 7 7 ILE HA H 1 5.30 . . 1 . . . . . . . . 4162 1 88 . 1 1 7 7 ILE HB H 1 1.38 . . 1 . . . . . . . . 4162 1 89 . 1 1 7 7 ILE HG12 H 1 0.62 . . 2 . . . . . . . . 4162 1 90 . 1 1 7 7 ILE HG13 H 1 1.36 . . 2 . . . . . . . . 4162 1 91 . 1 1 7 7 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 4162 1 92 . 1 1 7 7 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 4162 1 93 . 1 1 7 7 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 4162 1 94 . 1 1 7 7 ILE HD11 H 1 0.52 . . 1 . . . . . . . . 4162 1 95 . 1 1 7 7 ILE HD12 H 1 0.52 . . 1 . . . . . . . . 4162 1 96 . 1 1 7 7 ILE HD13 H 1 0.52 . . 1 . . . . . . . . 4162 1 97 . 1 1 7 7 ILE C C 13 175.9 . . 1 . . . . . . . . 4162 1 98 . 1 1 7 7 ILE CA C 13 59.34 . . 1 . . . . . . . . 4162 1 99 . 1 1 7 7 ILE CB C 13 40.38 . . 1 . . . . . . . . 4162 1 100 . 1 1 7 7 ILE CG1 C 13 28.02 . . 1 . . . . . . . . 4162 1 101 . 1 1 7 7 ILE CG2 C 13 18.97 . . 1 . . . . . . . . 4162 1 102 . 1 1 7 7 ILE CD1 C 13 14.55 . . 1 . . . . . . . . 4162 1 103 . 1 1 7 7 ILE N N 15 118.53 . . 1 . . . . . . . . 4162 1 104 . 1 1 8 8 VAL H H 1 9.12 . . 1 . . . . . . . . 4162 1 105 . 1 1 8 8 VAL HA H 1 4.46 . . 1 . . . . . . . . 4162 1 106 . 1 1 8 8 VAL HB H 1 2.02 . . 1 . . . . . . . . 4162 1 107 . 1 1 8 8 VAL HG11 H 1 0.95 . . 1 . . . . . . . . 4162 1 108 . 1 1 8 8 VAL HG12 H 1 0.95 . . 1 . . . . . . . . 4162 1 109 . 1 1 8 8 VAL HG13 H 1 0.95 . . 1 . . . . . . . . 4162 1 110 . 1 1 8 8 VAL HG21 H 1 0.88 . . 1 . . . . . . . . 4162 1 111 . 1 1 8 8 VAL HG22 H 1 0.88 . . 1 . . . . . . . . 4162 1 112 . 1 1 8 8 VAL HG23 H 1 0.88 . . 1 . . . . . . . . 4162 1 113 . 1 1 8 8 VAL CA C 13 58.01 . . 1 . . . . . . . . 4162 1 114 . 1 1 8 8 VAL CB C 13 35.63 . . 1 . . . . . . . . 4162 1 115 . 1 1 8 8 VAL CG1 C 13 21.17 . . 2 . . . . . . . . 4162 1 116 . 1 1 8 8 VAL CG2 C 13 20.99 . . 2 . . . . . . . . 4162 1 117 . 1 1 8 8 VAL N N 15 124.12 . . 1 . . . . . . . . 4162 1 118 . 1 1 9 9 PRO HA H 1 5.01 . . 1 . . . . . . . . 4162 1 119 . 1 1 9 9 PRO HB2 H 1 2.44 . . 2 . . . . . . . . 4162 1 120 . 1 1 9 9 PRO HB3 H 1 2.52 . . 2 . . . . . . . . 4162 1 121 . 1 1 9 9 PRO HG2 H 1 1.85 . . 1 . . . . . . . . 4162 1 122 . 1 1 9 9 PRO HG3 H 1 1.85 . . 1 . . . . . . . . 4162 1 123 . 1 1 9 9 PRO HD2 H 1 3.33 . . 2 . . . . . . . . 4162 1 124 . 1 1 9 9 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4162 1 125 . 1 1 9 9 PRO C C 13 175.5 . . 1 . . . . . . . . 4162 1 126 . 1 1 9 9 PRO CA C 13 63.20 . . 1 . . . . . . . . 4162 1 127 . 1 1 9 9 PRO CB C 13 34.76 . . 1 . . . . . . . . 4162 1 128 . 1 1 9 9 PRO CG C 13 25.12 . . 1 . . . . . . . . 4162 1 129 . 1 1 9 9 PRO CD C 13 49.49 . . 1 . . . . . . . . 4162 1 130 . 1 1 10 10 SER H H 1 8.37 . . 1 . . . . . . . . 4162 1 131 . 1 1 10 10 SER HA H 1 4.32 . . 1 . . . . . . . . 4162 1 132 . 1 1 10 10 SER HB2 H 1 4.23 . . 2 . . . . . . . . 4162 1 133 . 1 1 10 10 SER HB3 H 1 4.12 . . 2 . . . . . . . . 4162 1 134 . 1 1 10 10 SER C C 13 175.8 . . 1 . . . . . . . . 4162 1 135 . 1 1 10 10 SER CA C 13 59.05 . . 1 . . . . . . . . 4162 1 136 . 1 1 10 10 SER CB C 13 63.02 . . 1 . . . . . . . . 4162 1 137 . 1 1 10 10 SER N N 15 107.01 . . 1 . . . . . . . . 4162 1 138 . 1 1 11 11 GLN H H 1 7.66 . . 1 . . . . . . . . 4162 1 139 . 1 1 11 11 GLN HA H 1 4.70 . . 1 . . . . . . . . 4162 1 140 . 1 1 11 11 GLN HB2 H 1 2.28 . . 2 . . . . . . . . 4162 1 141 . 1 1 11 11 GLN HB3 H 1 2.15 . . 2 . . . . . . . . 4162 1 142 . 1 1 11 11 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 4162 1 143 . 1 1 11 11 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 4162 1 144 . 1 1 11 11 GLN HE21 H 1 6.84 . . 2 . . . . . . . . 4162 1 145 . 1 1 11 11 GLN HE22 H 1 7.62 . . 2 . . . . . . . . 4162 1 146 . 1 1 11 11 GLN C C 13 175.5 . . 1 . . . . . . . . 4162 1 147 . 1 1 11 11 GLN CA C 13 54.63 . . 1 . . . . . . . . 4162 1 148 . 1 1 11 11 GLN CB C 13 33.75 . . 1 . . . . . . . . 4162 1 149 . 1 1 11 11 GLN CG C 13 30.87 . . 1 . . . . . . . . 4162 1 150 . 1 1 11 11 GLN N N 15 116.46 . . 1 . . . . . . . . 4162 1 151 . 1 1 11 11 GLN NE2 N 15 110.07 . . 1 . . . . . . . . 4162 1 152 . 1 1 12 12 GLY H H 1 8.65 . . 1 . . . . . . . . 4162 1 153 . 1 1 12 12 GLY HA2 H 1 3.52 . . 2 . . . . . . . . 4162 1 154 . 1 1 12 12 GLY HA3 H 1 4.64 . . 2 . . . . . . . . 4162 1 155 . 1 1 12 12 GLY C C 13 172.0 . . 1 . . . . . . . . 4162 1 156 . 1 1 12 12 GLY CA C 13 45.44 . . 1 . . . . . . . . 4162 1 157 . 1 1 12 12 GLY N N 15 106.05 . . 1 . . . . . . . . 4162 1 158 . 1 1 13 13 GLU H H 1 8.50 . . 1 . . . . . . . . 4162 1 159 . 1 1 13 13 GLU HA H 1 5.22 . . 1 . . . . . . . . 4162 1 160 . 1 1 13 13 GLU HB2 H 1 1.94 . . 2 . . . . . . . . 4162 1 161 . 1 1 13 13 GLU HB3 H 1 1.85 . . 2 . . . . . . . . 4162 1 162 . 1 1 13 13 GLU HG2 H 1 2.18 . . 1 . . . . . . . . 4162 1 163 . 1 1 13 13 GLU HG3 H 1 2.18 . . 1 . . . . . . . . 4162 1 164 . 1 1 13 13 GLU C C 13 175.9 . . 1 . . . . . . . . 4162 1 165 . 1 1 13 13 GLU CA C 13 55.08 . . 1 . . . . . . . . 4162 1 166 . 1 1 13 13 GLU CB C 13 31.50 . . 1 . . . . . . . . 4162 1 167 . 1 1 13 13 GLU CG C 13 36.39 . . 1 . . . . . . . . 4162 1 168 . 1 1 13 13 GLU N N 15 121.68 . . 1 . . . . . . . . 4162 1 169 . 1 1 14 14 ILE H H 1 8.67 . . 1 . . . . . . . . 4162 1 170 . 1 1 14 14 ILE HA H 1 4.30 . . 1 . . . . . . . . 4162 1 171 . 1 1 14 14 ILE HB H 1 1.46 . . 1 . . . . . . . . 4162 1 172 . 1 1 14 14 ILE HG12 H 1 0.65 . . 2 . . . . . . . . 4162 1 173 . 1 1 14 14 ILE HG13 H 1 1.39 . . 2 . . . . . . . . 4162 1 174 . 1 1 14 14 ILE HG21 H 1 0.77 . . 1 . . . . . . . . 4162 1 175 . 1 1 14 14 ILE HG22 H 1 0.77 . . 1 . . . . . . . . 4162 1 176 . 1 1 14 14 ILE HG23 H 1 0.77 . . 1 . . . . . . . . 4162 1 177 . 1 1 14 14 ILE HD11 H 1 0.58 . . 1 . . . . . . . . 4162 1 178 . 1 1 14 14 ILE HD12 H 1 0.58 . . 1 . . . . . . . . 4162 1 179 . 1 1 14 14 ILE HD13 H 1 0.58 . . 1 . . . . . . . . 4162 1 180 . 1 1 14 14 ILE C C 13 175.7 . . 1 . . . . . . . . 4162 1 181 . 1 1 14 14 ILE CA C 13 59.85 . . 1 . . . . . . . . 4162 1 182 . 1 1 14 14 ILE CB C 13 41.44 . . 1 . . . . . . . . 4162 1 183 . 1 1 14 14 ILE CG1 C 13 26.12 . . 1 . . . . . . . . 4162 1 184 . 1 1 14 14 ILE CG2 C 13 18.60 . . 1 . . . . . . . . 4162 1 185 . 1 1 14 14 ILE CD1 C 13 15.41 . . 1 . . . . . . . . 4162 1 186 . 1 1 14 14 ILE N N 15 120.46 . . 1 . . . . . . . . 4162 1 187 . 1 1 15 15 SER H H 1 8.62 . . 1 . . . . . . . . 4162 1 188 . 1 1 15 15 SER HA H 1 4.76 . . 1 . . . . . . . . 4162 1 189 . 1 1 15 15 SER HB2 H 1 3.74 . . 2 . . . . . . . . 4162 1 190 . 1 1 15 15 SER HB3 H 1 3.50 . . 2 . . . . . . . . 4162 1 191 . 1 1 15 15 SER C C 13 175.3 . . 1 . . . . . . . . 4162 1 192 . 1 1 15 15 SER CA C 13 57.69 . . 1 . . . . . . . . 4162 1 193 . 1 1 15 15 SER CB C 13 63.34 . . 1 . . . . . . . . 4162 1 194 . 1 1 15 15 SER N N 15 120.18 . . 1 . . . . . . . . 4162 1 195 . 1 1 16 16 VAL H H 1 8.14 . . 1 . . . . . . . . 4162 1 196 . 1 1 16 16 VAL HA H 1 3.41 . . 1 . . . . . . . . 4162 1 197 . 1 1 16 16 VAL HB H 1 1.93 . . 1 . . . . . . . . 4162 1 198 . 1 1 16 16 VAL HG11 H 1 0.92 . . 1 . . . . . . . . 4162 1 199 . 1 1 16 16 VAL HG12 H 1 0.92 . . 1 . . . . . . . . 4162 1 200 . 1 1 16 16 VAL HG13 H 1 0.92 . . 1 . . . . . . . . 4162 1 201 . 1 1 16 16 VAL HG21 H 1 0.96 . . 1 . . . . . . . . 4162 1 202 . 1 1 16 16 VAL HG22 H 1 0.96 . . 1 . . . . . . . . 4162 1 203 . 1 1 16 16 VAL HG23 H 1 0.96 . . 1 . . . . . . . . 4162 1 204 . 1 1 16 16 VAL C C 13 178.5 . . 1 . . . . . . . . 4162 1 205 . 1 1 16 16 VAL CA C 13 64.33 . . 1 . . . . . . . . 4162 1 206 . 1 1 16 16 VAL CB C 13 31.93 . . 1 . . . . . . . . 4162 1 207 . 1 1 16 16 VAL CG1 C 13 22.95 . . 2 . . . . . . . . 4162 1 208 . 1 1 16 16 VAL CG2 C 13 21.77 . . 2 . . . . . . . . 4162 1 209 . 1 1 16 16 VAL N N 15 119.70 . . 1 . . . . . . . . 4162 1 210 . 1 1 17 17 GLY H H 1 9.74 . . 1 . . . . . . . . 4162 1 211 . 1 1 17 17 GLY HA2 H 1 3.79 . . 2 . . . . . . . . 4162 1 212 . 1 1 17 17 GLY HA3 H 1 4.31 . . 2 . . . . . . . . 4162 1 213 . 1 1 17 17 GLY C C 13 175.5 . . 1 . . . . . . . . 4162 1 214 . 1 1 17 17 GLY CA C 13 44.46 . . 1 . . . . . . . . 4162 1 215 . 1 1 17 17 GLY N N 15 113.48 . . 1 . . . . . . . . 4162 1 216 . 1 1 18 18 GLU H H 1 8.11 . . 1 . . . . . . . . 4162 1 217 . 1 1 18 18 GLU HA H 1 4.51 . . 1 . . . . . . . . 4162 1 218 . 1 1 18 18 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 4162 1 219 . 1 1 18 18 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 4162 1 220 . 1 1 18 18 GLU HG2 H 1 2.13 . . 2 . . . . . . . . 4162 1 221 . 1 1 18 18 GLU HG3 H 1 2.26 . . 2 . . . . . . . . 4162 1 222 . 1 1 18 18 GLU C C 13 174.6 . . 1 . . . . . . . . 4162 1 223 . 1 1 18 18 GLU CA C 13 55.39 . . 1 . . . . . . . . 4162 1 224 . 1 1 18 18 GLU CB C 13 30.69 . . 1 . . . . . . . . 4162 1 225 . 1 1 18 18 GLU CG C 13 36.99 . . 1 . . . . . . . . 4162 1 226 . 1 1 18 18 GLU N N 15 119.82 . . 1 . . . . . . . . 4162 1 227 . 1 1 19 19 SER H H 1 7.96 . . 1 . . . . . . . . 4162 1 228 . 1 1 19 19 SER HA H 1 5.60 . . 1 . . . . . . . . 4162 1 229 . 1 1 19 19 SER HB2 H 1 3.66 . . 1 . . . . . . . . 4162 1 230 . 1 1 19 19 SER HB3 H 1 3.66 . . 1 . . . . . . . . 4162 1 231 . 1 1 19 19 SER C C 13 175.1 . . 1 . . . . . . . . 4162 1 232 . 1 1 19 19 SER CA C 13 55.40 . . 1 . . . . . . . . 4162 1 233 . 1 1 19 19 SER CB C 13 65.71 . . 1 . . . . . . . . 4162 1 234 . 1 1 19 19 SER N N 15 109.30 . . 1 . . . . . . . . 4162 1 235 . 1 1 20 20 LYS H H 1 8.32 . . 1 . . . . . . . . 4162 1 236 . 1 1 20 20 LYS HA H 1 4.13 . . 1 . . . . . . . . 4162 1 237 . 1 1 20 20 LYS HB2 H 1 1.26 . . 2 . . . . . . . . 4162 1 238 . 1 1 20 20 LYS HB3 H 1 1.43 . . 2 . . . . . . . . 4162 1 239 . 1 1 20 20 LYS HG2 H 1 0.74 . . 2 . . . . . . . . 4162 1 240 . 1 1 20 20 LYS HG3 H 1 0.96 . . 2 . . . . . . . . 4162 1 241 . 1 1 20 20 LYS HD2 H 1 1.48 . . 1 . . . . . . . . 4162 1 242 . 1 1 20 20 LYS HD3 H 1 1.48 . . 1 . . . . . . . . 4162 1 243 . 1 1 20 20 LYS HE2 H 1 2.65 . . 2 . . . . . . . . 4162 1 244 . 1 1 20 20 LYS HE3 H 1 2.97 . . 2 . . . . . . . . 4162 1 245 . 1 1 20 20 LYS HZ1 H 1 9.90 . . 1 . . . . . . . . 4162 1 246 . 1 1 20 20 LYS HZ2 H 1 9.90 . . 1 . . . . . . . . 4162 1 247 . 1 1 20 20 LYS HZ3 H 1 9.90 . . 1 . . . . . . . . 4162 1 248 . 1 1 20 20 LYS C C 13 172.9 . . 1 . . . . . . . . 4162 1 249 . 1 1 20 20 LYS CA C 13 55.55 . . 1 . . . . . . . . 4162 1 250 . 1 1 20 20 LYS CB C 13 36.99 . . 1 . . . . . . . . 4162 1 251 . 1 1 20 20 LYS CG C 13 25.75 . . 1 . . . . . . . . 4162 1 252 . 1 1 20 20 LYS CD C 13 29.01 . . 1 . . . . . . . . 4162 1 253 . 1 1 20 20 LYS CE C 13 41.73 . . 1 . . . . . . . . 4162 1 254 . 1 1 20 20 LYS N N 15 121.33 . . 1 . . . . . . . . 4162 1 255 . 1 1 21 21 PHE H H 1 6.65 . . 1 . . . . . . . . 4162 1 256 . 1 1 21 21 PHE HA H 1 5.69 . . 1 . . . . . . . . 4162 1 257 . 1 1 21 21 PHE HB2 H 1 2.66 . . 2 . . . . . . . . 4162 1 258 . 1 1 21 21 PHE HB3 H 1 2.72 . . 2 . . . . . . . . 4162 1 259 . 1 1 21 21 PHE HD1 H 1 6.87 . . 1 . . . . . . . . 4162 1 260 . 1 1 21 21 PHE HD2 H 1 6.87 . . 1 . . . . . . . . 4162 1 261 . 1 1 21 21 PHE HE1 H 1 7.17 . . 1 . . . . . . . . 4162 1 262 . 1 1 21 21 PHE HE2 H 1 7.17 . . 1 . . . . . . . . 4162 1 263 . 1 1 21 21 PHE HZ H 1 7.21 . . 1 . . . . . . . . 4162 1 264 . 1 1 21 21 PHE C C 13 174.4 . . 1 . . . . . . . . 4162 1 265 . 1 1 21 21 PHE CA C 13 53.15 . . 1 . . . . . . . . 4162 1 266 . 1 1 21 21 PHE CB C 13 41.71 . . 1 . . . . . . . . 4162 1 267 . 1 1 21 21 PHE N N 15 116.67 . . 1 . . . . . . . . 4162 1 268 . 1 1 22 22 PHE H H 1 9.20 . . 1 . . . . . . . . 4162 1 269 . 1 1 22 22 PHE HA H 1 4.77 . . 1 . . . . . . . . 4162 1 270 . 1 1 22 22 PHE HB2 H 1 2.58 . . 2 . . . . . . . . 4162 1 271 . 1 1 22 22 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 4162 1 272 . 1 1 22 22 PHE HD1 H 1 6.95 . . 1 . . . . . . . . 4162 1 273 . 1 1 22 22 PHE HD2 H 1 6.95 . . 1 . . . . . . . . 4162 1 274 . 1 1 22 22 PHE HE1 H 1 6.61 . . 1 . . . . . . . . 4162 1 275 . 1 1 22 22 PHE HE2 H 1 6.61 . . 1 . . . . . . . . 4162 1 276 . 1 1 22 22 PHE HZ H 1 6.53 . . 1 . . . . . . . . 4162 1 277 . 1 1 22 22 PHE C C 13 174.2 . . 1 . . . . . . . . 4162 1 278 . 1 1 22 22 PHE CA C 13 56.38 . . 1 . . . . . . . . 4162 1 279 . 1 1 22 22 PHE CB C 13 42.23 . . 1 . . . . . . . . 4162 1 280 . 1 1 22 22 PHE N N 15 115.77 . . 1 . . . . . . . . 4162 1 281 . 1 1 23 23 LEU H H 1 9.06 . . 1 . . . . . . . . 4162 1 282 . 1 1 23 23 LEU HA H 1 5.00 . . 2 . . . . . . . . 4162 1 283 . 1 1 23 23 LEU HB2 H 1 1.52 . . 2 . . . . . . . . 4162 1 284 . 1 1 23 23 LEU HB3 H 1 2.04 . . 2 . . . . . . . . 4162 1 285 . 1 1 23 23 LEU HG H 1 1.37 . . 2 . . . . . . . . 4162 1 286 . 1 1 23 23 LEU HD11 H 1 0.84 . . 1 . . . . . . . . 4162 1 287 . 1 1 23 23 LEU HD12 H 1 0.84 . . 1 . . . . . . . . 4162 1 288 . 1 1 23 23 LEU HD13 H 1 0.84 . . 1 . . . . . . . . 4162 1 289 . 1 1 23 23 LEU HD21 H 1 0.84 . . 1 . . . . . . . . 4162 1 290 . 1 1 23 23 LEU HD22 H 1 0.84 . . 1 . . . . . . . . 4162 1 291 . 1 1 23 23 LEU HD23 H 1 0.84 . . 1 . . . . . . . . 4162 1 292 . 1 1 23 23 LEU C C 13 175.7 . . 1 . . . . . . . . 4162 1 293 . 1 1 23 23 LEU CA C 13 53.99 . . 1 . . . . . . . . 4162 1 294 . 1 1 23 23 LEU CB C 13 45.07 . . 1 . . . . . . . . 4162 1 295 . 1 1 23 23 LEU CG C 13 28.01 . . 1 . . . . . . . . 4162 1 296 . 1 1 23 23 LEU CD1 C 13 24.44 . . 2 . . . . . . . . 4162 1 297 . 1 1 23 23 LEU CD2 C 13 26.12 . . 2 . . . . . . . . 4162 1 298 . 1 1 23 23 LEU N N 15 124.10 . . 1 . . . . . . . . 4162 1 299 . 1 1 24 24 CYS H H 1 9.54 . . 1 . . . . . . . . 4162 1 300 . 1 1 24 24 CYS HA H 1 5.09 . . 1 . . . . . . . . 4162 1 301 . 1 1 24 24 CYS HB2 H 1 2.89 . . 2 . . . . . . . . 4162 1 302 . 1 1 24 24 CYS HB3 H 1 3.10 . . 2 . . . . . . . . 4162 1 303 . 1 1 24 24 CYS C C 13 173.0 . . 1 . . . . . . . . 4162 1 304 . 1 1 24 24 CYS CA C 13 53.23 . . 1 . . . . . . . . 4162 1 305 . 1 1 24 24 CYS CB C 13 40.78 . . 1 . . . . . . . . 4162 1 306 . 1 1 24 24 CYS N N 15 125.13 . . 1 . . . . . . . . 4162 1 307 . 1 1 25 25 GLN H H 1 9.06 . . 1 . . . . . . . . 4162 1 308 . 1 1 25 25 GLN HA H 1 4.86 . . 1 . . . . . . . . 4162 1 309 . 1 1 25 25 GLN HB2 H 1 1.87 . . 2 . . . . . . . . 4162 1 310 . 1 1 25 25 GLN HB3 H 1 1.92 . . 2 . . . . . . . . 4162 1 311 . 1 1 25 25 GLN HG2 H 1 2.13 . . 1 . . . . . . . . 4162 1 312 . 1 1 25 25 GLN HG3 H 1 2.13 . . 1 . . . . . . . . 4162 1 313 . 1 1 25 25 GLN HE21 H 1 6.70 . . 2 . . . . . . . . 4162 1 314 . 1 1 25 25 GLN HE22 H 1 7.41 . . 2 . . . . . . . . 4162 1 315 . 1 1 25 25 GLN C C 13 175.0 . . 1 . . . . . . . . 4162 1 316 . 1 1 25 25 GLN CA C 13 53.69 . . 1 . . . . . . . . 4162 1 317 . 1 1 25 25 GLN CB C 13 32.66 . . 1 . . . . . . . . 4162 1 318 . 1 1 25 25 GLN CG C 13 33.94 . . 1 . . . . . . . . 4162 1 319 . 1 1 25 25 GLN N N 15 123.29 . . 1 . . . . . . . . 4162 1 320 . 1 1 25 25 GLN NE2 N 15 109.58 . . 1 . . . . . . . . 4162 1 321 . 1 1 26 26 VAL H H 1 8.59 . . 1 . . . . . . . . 4162 1 322 . 1 1 26 26 VAL HA H 1 4.86 . . 1 . . . . . . . . 4162 1 323 . 1 1 26 26 VAL HB H 1 1.91 . . 1 . . . . . . . . 4162 1 324 . 1 1 26 26 VAL HG11 H 1 0.83 . . 1 . . . . . . . . 4162 1 325 . 1 1 26 26 VAL HG12 H 1 0.83 . . 1 . . . . . . . . 4162 1 326 . 1 1 26 26 VAL HG13 H 1 0.83 . . 1 . . . . . . . . 4162 1 327 . 1 1 26 26 VAL HG21 H 1 0.77 . . 1 . . . . . . . . 4162 1 328 . 1 1 26 26 VAL HG22 H 1 0.77 . . 1 . . . . . . . . 4162 1 329 . 1 1 26 26 VAL HG23 H 1 0.77 . . 1 . . . . . . . . 4162 1 330 . 1 1 26 26 VAL C C 13 175.4 . . 1 . . . . . . . . 4162 1 331 . 1 1 26 26 VAL CA C 13 59.99 . . 1 . . . . . . . . 4162 1 332 . 1 1 26 26 VAL CB C 13 34.10 . . 1 . . . . . . . . 4162 1 333 . 1 1 26 26 VAL CG1 C 13 23.27 . . 2 . . . . . . . . 4162 1 334 . 1 1 26 26 VAL CG2 C 13 22.48 . . 2 . . . . . . . . 4162 1 335 . 1 1 26 26 VAL N N 15 121.78 . . 1 . . . . . . . . 4162 1 336 . 1 1 27 27 ALA H H 1 8.71 . . 1 . . . . . . . . 4162 1 337 . 1 1 27 27 ALA HA H 1 4.65 . . 1 . . . . . . . . 4162 1 338 . 1 1 27 27 ALA HB1 H 1 1.31 . . 1 . . . . . . . . 4162 1 339 . 1 1 27 27 ALA HB2 H 1 1.31 . . 1 . . . . . . . . 4162 1 340 . 1 1 27 27 ALA HB3 H 1 1.31 . . 1 . . . . . . . . 4162 1 341 . 1 1 27 27 ALA C C 13 177.5 . . 1 . . . . . . . . 4162 1 342 . 1 1 27 27 ALA CA C 13 50.73 . . 1 . . . . . . . . 4162 1 343 . 1 1 27 27 ALA CB C 13 21.32 . . 1 . . . . . . . . 4162 1 344 . 1 1 27 27 ALA N N 15 128.15 . . 1 . . . . . . . . 4162 1 345 . 1 1 28 28 GLY H H 1 8.34 . . 1 . . . . . . . . 4162 1 346 . 1 1 28 28 GLY HA2 H 1 3.66 . . 2 . . . . . . . . 4162 1 347 . 1 1 28 28 GLY HA3 H 1 4.46 . . 2 . . . . . . . . 4162 1 348 . 1 1 28 28 GLY C C 13 174.3 . . 1 . . . . . . . . 4162 1 349 . 1 1 28 28 GLY CA C 13 44.51 . . 1 . . . . . . . . 4162 1 350 . 1 1 28 28 GLY N N 15 106.45 . . 1 . . . . . . . . 4162 1 351 . 1 1 29 29 ASP H H 1 8.30 . . 1 . . . . . . . . 4162 1 352 . 1 1 29 29 ASP HA H 1 4.60 . . 1 . . . . . . . . 4162 1 353 . 1 1 29 29 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4162 1 354 . 1 1 29 29 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 4162 1 355 . 1 1 29 29 ASP C C 13 176.8 . . 1 . . . . . . . . 4162 1 356 . 1 1 29 29 ASP CA C 13 53.30 . . 1 . . . . . . . . 4162 1 357 . 1 1 29 29 ASP CB C 13 41.03 . . 1 . . . . . . . . 4162 1 358 . 1 1 29 29 ASP N N 15 117.41 . . 1 . . . . . . . . 4162 1 359 . 1 1 30 30 ALA H H 1 8.18 . . 1 . . . . . . . . 4162 1 360 . 1 1 30 30 ALA HA H 1 4.28 . . 1 . . . . . . . . 4162 1 361 . 1 1 30 30 ALA HB1 H 1 1.29 . . 1 . . . . . . . . 4162 1 362 . 1 1 30 30 ALA HB2 H 1 1.29 . . 1 . . . . . . . . 4162 1 363 . 1 1 30 30 ALA HB3 H 1 1.29 . . 1 . . . . . . . . 4162 1 364 . 1 1 30 30 ALA C C 13 177.7 . . 1 . . . . . . . . 4162 1 365 . 1 1 30 30 ALA CA C 13 51.92 . . 1 . . . . . . . . 4162 1 366 . 1 1 30 30 ALA CB C 13 20.00 . . 1 . . . . . . . . 4162 1 367 . 1 1 30 30 ALA N N 15 122.23 . . 1 . . . . . . . . 4162 1 368 . 1 1 31 31 LYS H H 1 8.64 . . 1 . . . . . . . . 4162 1 369 . 1 1 31 31 LYS HA H 1 4.24 . . 1 . . . . . . . . 4162 1 370 . 1 1 31 31 LYS HB2 H 1 1.72 . . 2 . . . . . . . . 4162 1 371 . 1 1 31 31 LYS HB3 H 1 1.75 . . 2 . . . . . . . . 4162 1 372 . 1 1 31 31 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 4162 1 373 . 1 1 31 31 LYS HG3 H 1 1.43 . . 2 . . . . . . . . 4162 1 374 . 1 1 31 31 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 4162 1 375 . 1 1 31 31 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 4162 1 376 . 1 1 31 31 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 4162 1 377 . 1 1 31 31 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 4162 1 378 . 1 1 31 31 LYS C C 13 177.2 . . 1 . . . . . . . . 4162 1 379 . 1 1 31 31 LYS CA C 13 56.31 . . 1 . . . . . . . . 4162 1 380 . 1 1 31 31 LYS CB C 13 33.27 . . 1 . . . . . . . . 4162 1 381 . 1 1 31 31 LYS CG C 13 24.60 . . 1 . . . . . . . . 4162 1 382 . 1 1 31 31 LYS CD C 13 29.00 . . 1 . . . . . . . . 4162 1 383 . 1 1 31 31 LYS CE C 13 42.21 . . 1 . . . . . . . . 4162 1 384 . 1 1 31 31 LYS N N 15 120.44 . . 1 . . . . . . . . 4162 1 385 . 1 1 32 32 ASP H H 1 8.37 . . 1 . . . . . . . . 4162 1 386 . 1 1 32 32 ASP HA H 1 4.62 . . 1 . . . . . . . . 4162 1 387 . 1 1 32 32 ASP HB2 H 1 2.56 . . 2 . . . . . . . . 4162 1 388 . 1 1 32 32 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 4162 1 389 . 1 1 32 32 ASP C C 13 175.3 . . 1 . . . . . . . . 4162 1 390 . 1 1 32 32 ASP CA C 13 53.78 . . 1 . . . . . . . . 4162 1 391 . 1 1 32 32 ASP CB C 13 40.50 . . 1 . . . . . . . . 4162 1 392 . 1 1 32 32 ASP N N 15 117.26 . . 1 . . . . . . . . 4162 1 393 . 1 1 33 33 LYS H H 1 8.13 . . 1 . . . . . . . . 4162 1 394 . 1 1 33 33 LYS HA H 1 4.72 . . 1 . . . . . . . . 4162 1 395 . 1 1 33 33 LYS HB2 H 1 1.53 . . 1 . . . . . . . . 4162 1 396 . 1 1 33 33 LYS HB3 H 1 1.53 . . 1 . . . . . . . . 4162 1 397 . 1 1 33 33 LYS HG2 H 1 1.15 . . 2 . . . . . . . . 4162 1 398 . 1 1 33 33 LYS HG3 H 1 1.28 . . 2 . . . . . . . . 4162 1 399 . 1 1 33 33 LYS HD2 H 1 1.50 . . 1 . . . . . . . . 4162 1 400 . 1 1 33 33 LYS HD3 H 1 1.50 . . 1 . . . . . . . . 4162 1 401 . 1 1 33 33 LYS HE2 H 1 2.85 . . 2 . . . . . . . . 4162 1 402 . 1 1 33 33 LYS HE3 H 1 2.89 . . 2 . . . . . . . . 4162 1 403 . 1 1 33 33 LYS C C 13 175.5 . . 1 . . . . . . . . 4162 1 404 . 1 1 33 33 LYS CA C 13 54.72 . . 1 . . . . . . . . 4162 1 405 . 1 1 33 33 LYS CB C 13 33.84 . . 1 . . . . . . . . 4162 1 406 . 1 1 33 33 LYS CG C 13 24.61 . . 1 . . . . . . . . 4162 1 407 . 1 1 33 33 LYS CD C 13 29.61 . . 1 . . . . . . . . 4162 1 408 . 1 1 33 33 LYS CE C 13 41.85 . . 1 . . . . . . . . 4162 1 409 . 1 1 33 33 LYS N N 15 115.88 . . 1 . . . . . . . . 4162 1 410 . 1 1 34 34 ASP H H 1 8.31 . . 1 . . . . . . . . 4162 1 411 . 1 1 34 34 ASP HA H 1 4.87 . . 1 . . . . . . . . 4162 1 412 . 1 1 34 34 ASP HB2 H 1 2.55 . . 1 . . . . . . . . 4162 1 413 . 1 1 34 34 ASP HB3 H 1 2.55 . . 1 . . . . . . . . 4162 1 414 . 1 1 34 34 ASP C C 13 175.3 . . 1 . . . . . . . . 4162 1 415 . 1 1 34 34 ASP CA C 13 53.09 . . 1 . . . . . . . . 4162 1 416 . 1 1 34 34 ASP CB C 13 44.46 . . 1 . . . . . . . . 4162 1 417 . 1 1 34 34 ASP N N 15 119.25 . . 1 . . . . . . . . 4162 1 418 . 1 1 35 35 ILE H H 1 8.31 . . 1 . . . . . . . . 4162 1 419 . 1 1 35 35 ILE HA H 1 4.44 . . 1 . . . . . . . . 4162 1 420 . 1 1 35 35 ILE HB H 1 1.57 . . 1 . . . . . . . . 4162 1 421 . 1 1 35 35 ILE HG12 H 1 0.65 . . 2 . . . . . . . . 4162 1 422 . 1 1 35 35 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 4162 1 423 . 1 1 35 35 ILE HG21 H 1 0.54 . . 1 . . . . . . . . 4162 1 424 . 1 1 35 35 ILE HG22 H 1 0.54 . . 1 . . . . . . . . 4162 1 425 . 1 1 35 35 ILE HG23 H 1 0.54 . . 1 . . . . . . . . 4162 1 426 . 1 1 35 35 ILE HD11 H 1 0.55 . . 1 . . . . . . . . 4162 1 427 . 1 1 35 35 ILE HD12 H 1 0.55 . . 1 . . . . . . . . 4162 1 428 . 1 1 35 35 ILE HD13 H 1 0.55 . . 1 . . . . . . . . 4162 1 429 . 1 1 35 35 ILE C C 13 176.5 . . 1 . . . . . . . . 4162 1 430 . 1 1 35 35 ILE CA C 13 61.48 . . 1 . . . . . . . . 4162 1 431 . 1 1 35 35 ILE CB C 13 39.95 . . 1 . . . . . . . . 4162 1 432 . 1 1 35 35 ILE CG1 C 13 27.31 . . 1 . . . . . . . . 4162 1 433 . 1 1 35 35 ILE CG2 C 13 18.62 . . 1 . . . . . . . . 4162 1 434 . 1 1 35 35 ILE CD1 C 13 21.28 . . 1 . . . . . . . . 4162 1 435 . 1 1 35 35 ILE N N 15 123.41 . . 1 . . . . . . . . 4162 1 436 . 1 1 36 36 SER H H 1 8.85 . . 1 . . . . . . . . 4162 1 437 . 1 1 36 36 SER HA H 1 5.03 . . 1 . . . . . . . . 4162 1 438 . 1 1 36 36 SER HB2 H 1 3.75 . . 2 . . . . . . . . 4162 1 439 . 1 1 36 36 SER HB3 H 1 3.50 . . 2 . . . . . . . . 4162 1 440 . 1 1 36 36 SER C C 13 171.9 . . 1 . . . . . . . . 4162 1 441 . 1 1 36 36 SER CA C 13 58.06 . . 1 . . . . . . . . 4162 1 442 . 1 1 36 36 SER CB C 13 67.58 . . 1 . . . . . . . . 4162 1 443 . 1 1 36 36 SER N N 15 121.99 . . 1 . . . . . . . . 4162 1 444 . 1 1 37 37 TRP H H 1 9.07 . . 1 . . . . . . . . 4162 1 445 . 1 1 37 37 TRP HA H 1 5.70 . . 1 . . . . . . . . 4162 1 446 . 1 1 37 37 TRP HB2 H 1 2.79 . . 2 . . . . . . . . 4162 1 447 . 1 1 37 37 TRP HB3 H 1 3.01 . . 2 . . . . . . . . 4162 1 448 . 1 1 37 37 TRP HD1 H 1 6.92 . . 1 . . . . . . . . 4162 1 449 . 1 1 37 37 TRP HE1 H 1 9.03 . . 1 . . . . . . . . 4162 1 450 . 1 1 37 37 TRP HE3 H 1 7.35 . . 1 . . . . . . . . 4162 1 451 . 1 1 37 37 TRP HZ2 H 1 7.31 . . 1 . . . . . . . . 4162 1 452 . 1 1 37 37 TRP HZ3 H 1 6.55 . . 1 . . . . . . . . 4162 1 453 . 1 1 37 37 TRP HH2 H 1 6.70 . . 1 . . . . . . . . 4162 1 454 . 1 1 37 37 TRP C C 13 176.5 . . 1 . . . . . . . . 4162 1 455 . 1 1 37 37 TRP CA C 13 55.50 . . 1 . . . . . . . . 4162 1 456 . 1 1 37 37 TRP CB C 13 33.68 . . 1 . . . . . . . . 4162 1 457 . 1 1 37 37 TRP N N 15 120.63 . . 1 . . . . . . . . 4162 1 458 . 1 1 37 37 TRP NE1 N 15 124.08 . . 1 . . . . . . . . 4162 1 459 . 1 1 38 38 PHE H H 1 9.70 . . 1 . . . . . . . . 4162 1 460 . 1 1 38 38 PHE HA H 1 5.32 . . 1 . . . . . . . . 4162 1 461 . 1 1 38 38 PHE HB2 H 1 2.76 . . 1 . . . . . . . . 4162 1 462 . 1 1 38 38 PHE HB3 H 1 2.76 . . 1 . . . . . . . . 4162 1 463 . 1 1 38 38 PHE HD1 H 1 6.97 . . 1 . . . . . . . . 4162 1 464 . 1 1 38 38 PHE HD2 H 1 6.97 . . 1 . . . . . . . . 4162 1 465 . 1 1 38 38 PHE HE1 H 1 7.21 . . 1 . . . . . . . . 4162 1 466 . 1 1 38 38 PHE HE2 H 1 7.21 . . 1 . . . . . . . . 4162 1 467 . 1 1 38 38 PHE HZ H 1 7.28 . . 1 . . . . . . . . 4162 1 468 . 1 1 38 38 PHE C C 13 176.5 . . 1 . . . . . . . . 4162 1 469 . 1 1 38 38 PHE CA C 13 55.84 . . 1 . . . . . . . . 4162 1 470 . 1 1 38 38 PHE CB C 13 43.02 . . 1 . . . . . . . . 4162 1 471 . 1 1 38 38 PHE N N 15 116.07 . . 1 . . . . . . . . 4162 1 472 . 1 1 39 39 SER H H 1 8.96 . . 1 . . . . . . . . 4162 1 473 . 1 1 39 39 SER HA H 1 4.40 . . 1 . . . . . . . . 4162 1 474 . 1 1 39 39 SER HB2 H 1 3.73 . . 2 . . . . . . . . 4162 1 475 . 1 1 39 39 SER HB3 H 1 4.29 . . 2 . . . . . . . . 4162 1 476 . 1 1 39 39 SER CA C 13 55.81 . . 1 . . . . . . . . 4162 1 477 . 1 1 39 39 SER CB C 13 62.44 . . 1 . . . . . . . . 4162 1 478 . 1 1 39 39 SER N N 15 114.40 . . 1 . . . . . . . . 4162 1 479 . 1 1 40 40 PRO HA H 1 4.45 . . 1 . . . . . . . . 4162 1 480 . 1 1 40 40 PRO HB2 H 1 1.43 . . 2 . . . . . . . . 4162 1 481 . 1 1 40 40 PRO HB3 H 1 1.70 . . 2 . . . . . . . . 4162 1 482 . 1 1 40 40 PRO HG2 H 1 2.33 . . 1 . . . . . . . . 4162 1 483 . 1 1 40 40 PRO HG3 H 1 2.33 . . 1 . . . . . . . . 4162 1 484 . 1 1 40 40 PRO HD2 H 1 3.17 . . 1 . . . . . . . . 4162 1 485 . 1 1 40 40 PRO HD3 H 1 3.17 . . 1 . . . . . . . . 4162 1 486 . 1 1 40 40 PRO C C 13 178.5 . . 1 . . . . . . . . 4162 1 487 . 1 1 40 40 PRO CA C 13 64.80 . . 1 . . . . . . . . 4162 1 488 . 1 1 41 41 ASN H H 1 7.66 . . 1 . . . . . . . . 4162 1 489 . 1 1 41 41 ASN HA H 1 4.67 . . 1 . . . . . . . . 4162 1 490 . 1 1 41 41 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 4162 1 491 . 1 1 41 41 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4162 1 492 . 1 1 41 41 ASN HD21 H 1 6.92 . . 2 . . . . . . . . 4162 1 493 . 1 1 41 41 ASN HD22 H 1 7.52 . . 2 . . . . . . . . 4162 1 494 . 1 1 41 41 ASN C C 13 177.0 . . 1 . . . . . . . . 4162 1 495 . 1 1 41 41 ASN CA C 13 52.20 . . 1 . . . . . . . . 4162 1 496 . 1 1 41 41 ASN CB C 13 37.42 . . 1 . . . . . . . . 4162 1 497 . 1 1 41 41 ASN N N 15 110.40 . . 1 . . . . . . . . 4162 1 498 . 1 1 41 41 ASN ND2 N 15 109.65 . . 1 . . . . . . . . 4162 1 499 . 1 1 42 42 GLY H H 1 8.47 . . 1 . . . . . . . . 4162 1 500 . 1 1 42 42 GLY HA2 H 1 3.62 . . 2 . . . . . . . . 4162 1 501 . 1 1 42 42 GLY HA3 H 1 4.23 . . 2 . . . . . . . . 4162 1 502 . 1 1 42 42 GLY C C 13 175.0 . . 1 . . . . . . . . 4162 1 503 . 1 1 42 42 GLY CA C 13 45.09 . . 1 . . . . . . . . 4162 1 504 . 1 1 42 42 GLY N N 15 106.45 . . 1 . . . . . . . . 4162 1 505 . 1 1 43 43 GLU H H 1 7.62 . . 1 . . . . . . . . 4162 1 506 . 1 1 43 43 GLU HA H 1 4.35 . . 1 . . . . . . . . 4162 1 507 . 1 1 43 43 GLU HB2 H 1 1.94 . . 1 . . . . . . . . 4162 1 508 . 1 1 43 43 GLU HB3 H 1 1.94 . . 1 . . . . . . . . 4162 1 509 . 1 1 43 43 GLU HG2 H 1 2.12 . . 2 . . . . . . . . 4162 1 510 . 1 1 43 43 GLU HG3 H 1 2.18 . . 2 . . . . . . . . 4162 1 511 . 1 1 43 43 GLU C C 13 176.3 . . 1 . . . . . . . . 4162 1 512 . 1 1 43 43 GLU CA C 13 55.43 . . 1 . . . . . . . . 4162 1 513 . 1 1 43 43 GLU CB C 13 30.77 . . 1 . . . . . . . . 4162 1 514 . 1 1 43 43 GLU CG C 13 36.65 . . 1 . . . . . . . . 4162 1 515 . 1 1 43 43 GLU N N 15 118.44 . . 1 . . . . . . . . 4162 1 516 . 1 1 44 44 LYS H H 1 8.67 . . 1 . . . . . . . . 4162 1 517 . 1 1 44 44 LYS HA H 1 3.75 . . 1 . . . . . . . . 4162 1 518 . 1 1 44 44 LYS HB2 H 1 1.48 . . 2 . . . . . . . . 4162 1 519 . 1 1 44 44 LYS HB3 H 1 1.64 . . 2 . . . . . . . . 4162 1 520 . 1 1 44 44 LYS HG2 H 1 0.74 . . 2 . . . . . . . . 4162 1 521 . 1 1 44 44 LYS HG3 H 1 1.17 . . 2 . . . . . . . . 4162 1 522 . 1 1 44 44 LYS HD2 H 1 1.59 . . 1 . . . . . . . . 4162 1 523 . 1 1 44 44 LYS HD3 H 1 1.59 . . 1 . . . . . . . . 4162 1 524 . 1 1 44 44 LYS HE2 H 1 2.92 . . 2 . . . . . . . . 4162 1 525 . 1 1 44 44 LYS HE3 H 1 3.00 . . 2 . . . . . . . . 4162 1 526 . 1 1 44 44 LYS C C 13 178.0 . . 1 . . . . . . . . 4162 1 527 . 1 1 44 44 LYS CA C 13 56.23 . . 1 . . . . . . . . 4162 1 528 . 1 1 44 44 LYS CB C 13 32.48 . . 1 . . . . . . . . 4162 1 529 . 1 1 44 44 LYS CG C 13 25.26 . . 1 . . . . . . . . 4162 1 530 . 1 1 44 44 LYS CD C 13 29.47 . . 1 . . . . . . . . 4162 1 531 . 1 1 44 44 LYS CE C 13 42.17 . . 1 . . . . . . . . 4162 1 532 . 1 1 44 44 LYS N N 15 123.40 . . 1 . . . . . . . . 4162 1 533 . 1 1 45 45 LEU H H 1 8.67 . . 1 . . . . . . . . 4162 1 534 . 1 1 45 45 LEU HA H 1 4.39 . . 1 . . . . . . . . 4162 1 535 . 1 1 45 45 LEU HB2 H 1 1.58 . . 2 . . . . . . . . 4162 1 536 . 1 1 45 45 LEU HB3 H 1 1.83 . . 2 . . . . . . . . 4162 1 537 . 1 1 45 45 LEU HG H 1 1.24 . . 1 . . . . . . . . 4162 1 538 . 1 1 45 45 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4162 1 539 . 1 1 45 45 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4162 1 540 . 1 1 45 45 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4162 1 541 . 1 1 45 45 LEU HD21 H 1 0.86 . . 1 . . . . . . . . 4162 1 542 . 1 1 45 45 LEU HD22 H 1 0.86 . . 1 . . . . . . . . 4162 1 543 . 1 1 45 45 LEU HD23 H 1 0.86 . . 1 . . . . . . . . 4162 1 544 . 1 1 45 45 LEU C C 13 177.1 . . 1 . . . . . . . . 4162 1 545 . 1 1 45 45 LEU CA C 13 54.20 . . 1 . . . . . . . . 4162 1 546 . 1 1 45 45 LEU CB C 13 42.29 . . 1 . . . . . . . . 4162 1 547 . 1 1 45 45 LEU CG C 13 20.53 . . 1 . . . . . . . . 4162 1 548 . 1 1 45 45 LEU CD1 C 13 26.56 . . 2 . . . . . . . . 4162 1 549 . 1 1 45 45 LEU CD2 C 13 23.64 . . 2 . . . . . . . . 4162 1 550 . 1 1 45 45 LEU N N 15 128.34 . . 1 . . . . . . . . 4162 1 551 . 1 1 46 46 SER H H 1 8.52 . . 1 . . . . . . . . 4162 1 552 . 1 1 46 46 SER HA H 1 4.89 . . 1 . . . . . . . . 4162 1 553 . 1 1 46 46 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4162 1 554 . 1 1 46 46 SER HB3 H 1 3.92 . . 2 . . . . . . . . 4162 1 555 . 1 1 46 46 SER CA C 13 56.41 . . 1 . . . . . . . . 4162 1 556 . 1 1 46 46 SER CB C 13 63.99 . . 1 . . . . . . . . 4162 1 557 . 1 1 46 46 SER N N 15 116.82 . . 1 . . . . . . . . 4162 1 558 . 1 1 47 47 PRO HA H 1 4.92 . . 1 . . . . . . . . 4162 1 559 . 1 1 47 47 PRO HB2 H 1 2.12 . . 2 . . . . . . . . 4162 1 560 . 1 1 47 47 PRO HB3 H 1 2.43 . . 2 . . . . . . . . 4162 1 561 . 1 1 47 47 PRO HG2 H 1 2.06 . . 1 . . . . . . . . 4162 1 562 . 1 1 47 47 PRO HG3 H 1 2.06 . . 1 . . . . . . . . 4162 1 563 . 1 1 47 47 PRO HD2 H 1 3.80 . . 2 . . . . . . . . 4162 1 564 . 1 1 47 47 PRO HD3 H 1 3.84 . . 2 . . . . . . . . 4162 1 565 . 1 1 47 47 PRO C C 13 177.4 . . 1 . . . . . . . . 4162 1 566 . 1 1 47 47 PRO CA C 13 63.22 . . 1 . . . . . . . . 4162 1 567 . 1 1 47 47 PRO CB C 13 32.21 . . 1 . . . . . . . . 4162 1 568 . 1 1 47 47 PRO CG C 13 27.81 . . 1 . . . . . . . . 4162 1 569 . 1 1 47 47 PRO CD C 13 51.10 . . 1 . . . . . . . . 4162 1 570 . 1 1 48 48 ASN H H 1 8.64 . . 1 . . . . . . . . 4162 1 571 . 1 1 48 48 ASN HA H 1 4.67 . . 1 . . . . . . . . 4162 1 572 . 1 1 48 48 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 4162 1 573 . 1 1 48 48 ASN HB3 H 1 2.87 . . 2 . . . . . . . . 4162 1 574 . 1 1 48 48 ASN HD21 H 1 6.98 . . 2 . . . . . . . . 4162 1 575 . 1 1 48 48 ASN HD22 H 1 7.65 . . 2 . . . . . . . . 4162 1 576 . 1 1 48 48 ASN C C 13 175.5 . . 1 . . . . . . . . 4162 1 577 . 1 1 48 48 ASN CA C 13 53.36 . . 1 . . . . . . . . 4162 1 578 . 1 1 48 48 ASN CB C 13 38.43 . . 1 . . . . . . . . 4162 1 579 . 1 1 48 48 ASN N N 15 113.45 . . 1 . . . . . . . . 4162 1 580 . 1 1 48 48 ASN ND2 N 15 110.85 . . 1 . . . . . . . . 4162 1 581 . 1 1 49 49 GLN H H 1 8.44 . . 1 . . . . . . . . 4162 1 582 . 1 1 49 49 GLN HA H 1 4.43 . . 1 . . . . . . . . 4162 1 583 . 1 1 49 49 GLN HB2 H 1 2.16 . . 2 . . . . . . . . 4162 1 584 . 1 1 49 49 GLN HB3 H 1 2.29 . . 2 . . . . . . . . 4162 1 585 . 1 1 49 49 GLN HG2 H 1 2.29 . . 2 . . . . . . . . 4162 1 586 . 1 1 49 49 GLN HG3 H 1 2.37 . . 2 . . . . . . . . 4162 1 587 . 1 1 49 49 GLN HE21 H 1 6.97 . . 2 . . . . . . . . 4162 1 588 . 1 1 49 49 GLN HE22 H 1 7.48 . . 2 . . . . . . . . 4162 1 589 . 1 1 49 49 GLN C C 13 176.7 . . 1 . . . . . . . . 4162 1 590 . 1 1 49 49 GLN CA C 13 54.85 . . 1 . . . . . . . . 4162 1 591 . 1 1 49 49 GLN CB C 13 29.28 . . 1 . . . . . . . . 4162 1 592 . 1 1 49 49 GLN CG C 13 33.43 . . 1 . . . . . . . . 4162 1 593 . 1 1 49 49 GLN N N 15 115.55 . . 1 . . . . . . . . 4162 1 594 . 1 1 49 49 GLN NE2 N 15 111.19 . . 1 . . . . . . . . 4162 1 595 . 1 1 50 50 GLN H H 1 8.28 . . 1 . . . . . . . . 4162 1 596 . 1 1 50 50 GLN HA H 1 4.10 . . 1 . . . . . . . . 4162 1 597 . 1 1 50 50 GLN HB2 H 1 2.35 . . 2 . . . . . . . . 4162 1 598 . 1 1 50 50 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 4162 1 599 . 1 1 50 50 GLN HG2 H 1 1.98 . . 2 . . . . . . . . 4162 1 600 . 1 1 50 50 GLN HG3 H 1 2.28 . . 2 . . . . . . . . 4162 1 601 . 1 1 50 50 GLN HE21 H 1 6.83 . . 2 . . . . . . . . 4162 1 602 . 1 1 50 50 GLN HE22 H 1 7.49 . . 2 . . . . . . . . 4162 1 603 . 1 1 50 50 GLN C C 13 177.1 . . 1 . . . . . . . . 4162 1 604 . 1 1 50 50 GLN CA C 13 57.06 . . 1 . . . . . . . . 4162 1 605 . 1 1 50 50 GLN CB C 13 29.49 . . 1 . . . . . . . . 4162 1 606 . 1 1 50 50 GLN CG C 13 34.25 . . 1 . . . . . . . . 4162 1 607 . 1 1 50 50 GLN N N 15 117.11 . . 1 . . . . . . . . 4162 1 608 . 1 1 50 50 GLN NE2 N 15 119.73 . . 1 . . . . . . . . 4162 1 609 . 1 1 51 51 ARG H H 1 8.23 . . 1 . . . . . . . . 4162 1 610 . 1 1 51 51 ARG HA H 1 3.96 . . 1 . . . . . . . . 4162 1 611 . 1 1 51 51 ARG HB2 H 1 1.75 . . 2 . . . . . . . . 4162 1 612 . 1 1 51 51 ARG HB3 H 1 2.11 . . 2 . . . . . . . . 4162 1 613 . 1 1 51 51 ARG HG2 H 1 1.49 . . 2 . . . . . . . . 4162 1 614 . 1 1 51 51 ARG HG3 H 1 1.75 . . 2 . . . . . . . . 4162 1 615 . 1 1 51 51 ARG HD2 H 1 3.11 . . 2 . . . . . . . . 4162 1 616 . 1 1 51 51 ARG HD3 H 1 3.37 . . 2 . . . . . . . . 4162 1 617 . 1 1 51 51 ARG HE H 1 7.42 . . 1 . . . . . . . . 4162 1 618 . 1 1 51 51 ARG C C 13 175.5 . . 1 . . . . . . . . 4162 1 619 . 1 1 51 51 ARG CA C 13 59.32 . . 1 . . . . . . . . 4162 1 620 . 1 1 51 51 ARG CB C 13 31.05 . . 1 . . . . . . . . 4162 1 621 . 1 1 51 51 ARG CG C 13 29.83 . . 1 . . . . . . . . 4162 1 622 . 1 1 51 51 ARG CD C 13 42.50 . . 1 . . . . . . . . 4162 1 623 . 1 1 51 51 ARG N N 15 117.31 . . 1 . . . . . . . . 4162 1 624 . 1 1 51 51 ARG NE N 15 79.19 . . 1 . . . . . . . . 4162 1 625 . 1 1 52 52 ILE H H 1 7.33 . . 1 . . . . . . . . 4162 1 626 . 1 1 52 52 ILE HA H 1 4.84 . . 1 . . . . . . . . 4162 1 627 . 1 1 52 52 ILE HB H 1 1.78 . . 1 . . . . . . . . 4162 1 628 . 1 1 52 52 ILE HG12 H 1 1.15 . . 2 . . . . . . . . 4162 1 629 . 1 1 52 52 ILE HG13 H 1 1.50 . . 2 . . . . . . . . 4162 1 630 . 1 1 52 52 ILE HG21 H 1 0.70 . . 1 . . . . . . . . 4162 1 631 . 1 1 52 52 ILE HG22 H 1 0.70 . . 1 . . . . . . . . 4162 1 632 . 1 1 52 52 ILE HG23 H 1 0.70 . . 1 . . . . . . . . 4162 1 633 . 1 1 52 52 ILE HD11 H 1 0.86 . . 1 . . . . . . . . 4162 1 634 . 1 1 52 52 ILE HD12 H 1 0.86 . . 1 . . . . . . . . 4162 1 635 . 1 1 52 52 ILE HD13 H 1 0.86 . . 1 . . . . . . . . 4162 1 636 . 1 1 52 52 ILE C C 13 176.7 . . 1 . . . . . . . . 4162 1 637 . 1 1 52 52 ILE CA C 13 59.16 . . 1 . . . . . . . . 4162 1 638 . 1 1 52 52 ILE CB C 13 37.81 . . 1 . . . . . . . . 4162 1 639 . 1 1 52 52 ILE CG1 C 13 27.31 . . 1 . . . . . . . . 4162 1 640 . 1 1 52 52 ILE CG2 C 13 18.40 . . 1 . . . . . . . . 4162 1 641 . 1 1 52 52 ILE CD1 C 13 13.00 . . 1 . . . . . . . . 4162 1 642 . 1 1 52 52 ILE N N 15 114.84 . . 1 . . . . . . . . 4162 1 643 . 1 1 53 53 SER H H 1 8.59 . . 1 . . . . . . . . 4162 1 644 . 1 1 53 53 SER HA H 1 4.76 . . 1 . . . . . . . . 4162 1 645 . 1 1 53 53 SER HB2 H 1 3.78 . . 2 . . . . . . . . 4162 1 646 . 1 1 53 53 SER HB3 H 1 3.91 . . 2 . . . . . . . . 4162 1 647 . 1 1 53 53 SER C C 13 173.9 . . 1 . . . . . . . . 4162 1 648 . 1 1 53 53 SER CA C 13 56.15 . . 1 . . . . . . . . 4162 1 649 . 1 1 53 53 SER CB C 13 64.51 . . 1 . . . . . . . . 4162 1 650 . 1 1 53 53 SER N N 15 118.45 . . 1 . . . . . . . . 4162 1 651 . 1 1 54 54 VAL H H 1 8.06 . . 1 . . . . . . . . 4162 1 652 . 1 1 54 54 VAL HA H 1 4.75 . . 1 . . . . . . . . 4162 1 653 . 1 1 54 54 VAL HB H 1 1.52 . . 1 . . . . . . . . 4162 1 654 . 1 1 54 54 VAL HG11 H 1 0.40 . . 1 . . . . . . . . 4162 1 655 . 1 1 54 54 VAL HG12 H 1 0.40 . . 1 . . . . . . . . 4162 1 656 . 1 1 54 54 VAL HG13 H 1 0.40 . . 1 . . . . . . . . 4162 1 657 . 1 1 54 54 VAL HG21 H 1 0.50 . . 1 . . . . . . . . 4162 1 658 . 1 1 54 54 VAL HG22 H 1 0.50 . . 1 . . . . . . . . 4162 1 659 . 1 1 54 54 VAL HG23 H 1 0.50 . . 1 . . . . . . . . 4162 1 660 . 1 1 54 54 VAL C C 13 175.9 . . 1 . . . . . . . . 4162 1 661 . 1 1 54 54 VAL CA C 13 60.12 . . 1 . . . . . . . . 4162 1 662 . 1 1 54 54 VAL CB C 13 34.65 . . 1 . . . . . . . . 4162 1 663 . 1 1 54 54 VAL CG1 C 13 22.77 . . 2 . . . . . . . . 4162 1 664 . 1 1 54 54 VAL CG2 C 13 21.21 . . 2 . . . . . . . . 4162 1 665 . 1 1 54 54 VAL N N 15 120.76 . . 1 . . . . . . . . 4162 1 666 . 1 1 55 55 VAL H H 1 8.38 . . 1 . . . . . . . . 4162 1 667 . 1 1 55 55 VAL HA H 1 4.50 . . 1 . . . . . . . . 4162 1 668 . 1 1 55 55 VAL HB H 1 1.87 . . 1 . . . . . . . . 4162 1 669 . 1 1 55 55 VAL HG11 H 1 0.80 . . 1 . . . . . . . . 4162 1 670 . 1 1 55 55 VAL HG12 H 1 0.80 . . 1 . . . . . . . . 4162 1 671 . 1 1 55 55 VAL HG13 H 1 0.80 . . 1 . . . . . . . . 4162 1 672 . 1 1 55 55 VAL HG21 H 1 0.84 . . 1 . . . . . . . . 4162 1 673 . 1 1 55 55 VAL HG22 H 1 0.84 . . 1 . . . . . . . . 4162 1 674 . 1 1 55 55 VAL HG23 H 1 0.84 . . 1 . . . . . . . . 4162 1 675 . 1 1 55 55 VAL C C 13 175.6 . . 1 . . . . . . . . 4162 1 676 . 1 1 55 55 VAL CA C 13 60.13 . . 1 . . . . . . . . 4162 1 677 . 1 1 55 55 VAL CB C 13 36.05 . . 1 . . . . . . . . 4162 1 678 . 1 1 55 55 VAL CG1 C 13 21.46 . . 1 . . . . . . . . 4162 1 679 . 1 1 55 55 VAL CG2 C 13 21.46 . . 1 . . . . . . . . 4162 1 680 . 1 1 55 55 VAL N N 15 120.82 . . 1 . . . . . . . . 4162 1 681 . 1 1 56 56 TRP H H 1 9.10 . . 1 . . . . . . . . 4162 1 682 . 1 1 56 56 TRP HA H 1 4.86 . . 1 . . . . . . . . 4162 1 683 . 1 1 56 56 TRP HB2 H 1 3.27 . . 2 . . . . . . . . 4162 1 684 . 1 1 56 56 TRP HB3 H 1 3.53 . . 2 . . . . . . . . 4162 1 685 . 1 1 56 56 TRP HD1 H 1 7.41 . . 1 . . . . . . . . 4162 1 686 . 1 1 56 56 TRP HE1 H 1 10.34 . . 1 . . . . . . . . 4162 1 687 . 1 1 56 56 TRP HE3 H 1 7.70 . . 1 . . . . . . . . 4162 1 688 . 1 1 56 56 TRP HZ2 H 1 7.65 . . 1 . . . . . . . . 4162 1 689 . 1 1 56 56 TRP HZ3 H 1 7.02 . . 1 . . . . . . . . 4162 1 690 . 1 1 56 56 TRP HH2 H 1 7.16 . . 1 . . . . . . . . 4162 1 691 . 1 1 56 56 TRP C C 13 176.2 . . 1 . . . . . . . . 4162 1 692 . 1 1 56 56 TRP CA C 13 58.13 . . 1 . . . . . . . . 4162 1 693 . 1 1 56 56 TRP CB C 13 29.96 . . 1 . . . . . . . . 4162 1 694 . 1 1 56 56 TRP N N 15 127.10 . . 1 . . . . . . . . 4162 1 695 . 1 1 56 56 TRP NE1 N 15 127.66 . . 1 . . . . . . . . 4162 1 696 . 1 1 57 57 ASN H H 1 8.39 . . 1 . . . . . . . . 4162 1 697 . 1 1 57 57 ASN HA H 1 4.70 . . 1 . . . . . . . . 4162 1 698 . 1 1 57 57 ASN HB2 H 1 2.68 . . 1 . . . . . . . . 4162 1 699 . 1 1 57 57 ASN HB3 H 1 2.68 . . 1 . . . . . . . . 4162 1 700 . 1 1 57 57 ASN HD21 H 1 6.93 . . 2 . . . . . . . . 4162 1 701 . 1 1 57 57 ASN HD22 H 1 7.39 . . 2 . . . . . . . . 4162 1 702 . 1 1 57 57 ASN C C 13 176.2 . . 1 . . . . . . . . 4162 1 703 . 1 1 57 57 ASN CA C 13 53.80 . . 1 . . . . . . . . 4162 1 704 . 1 1 57 57 ASN CB C 13 39.65 . . 1 . . . . . . . . 4162 1 705 . 1 1 57 57 ASN N N 15 121.40 . . 1 . . . . . . . . 4162 1 706 . 1 1 58 58 ASP H H 1 8.19 . . 1 . . . . . . . . 4162 1 707 . 1 1 58 58 ASP HA H 1 4.14 . . 1 . . . . . . . . 4162 1 708 . 1 1 58 58 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 4162 1 709 . 1 1 58 58 ASP HB3 H 1 2.83 . . 1 . . . . . . . . 4162 1 710 . 1 1 58 58 ASP C C 13 176.0 . . 1 . . . . . . . . 4162 1 711 . 1 1 58 58 ASP CA C 13 54.06 . . 1 . . . . . . . . 4162 1 712 . 1 1 58 58 ASP CB C 13 40.08 . . 1 . . . . . . . . 4162 1 713 . 1 1 58 58 ASP N N 15 115.29 . . 1 . . . . . . . . 4162 1 714 . 1 1 59 59 ASP H H 1 8.11 . . 1 . . . . . . . . 4162 1 715 . 1 1 59 59 ASP HA H 1 4.58 . . 1 . . . . . . . . 4162 1 716 . 1 1 59 59 ASP HB2 H 1 2.74 . . 2 . . . . . . . . 4162 1 717 . 1 1 59 59 ASP HB3 H 1 2.70 . . 2 . . . . . . . . 4162 1 718 . 1 1 59 59 ASP C C 13 177.1 . . 1 . . . . . . . . 4162 1 719 . 1 1 59 59 ASP CA C 13 54.55 . . 1 . . . . . . . . 4162 1 720 . 1 1 59 59 ASP CB C 13 41.75 . . 1 . . . . . . . . 4162 1 721 . 1 1 59 59 ASP N N 15 114.73 . . 1 . . . . . . . . 4162 1 722 . 1 1 60 60 ASP H H 1 8.23 . . 1 . . . . . . . . 4162 1 723 . 1 1 60 60 ASP HA H 1 4.63 . . 1 . . . . . . . . 4162 1 724 . 1 1 60 60 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 4162 1 725 . 1 1 60 60 ASP HB3 H 1 3.14 . . 2 . . . . . . . . 4162 1 726 . 1 1 60 60 ASP C C 13 174.6 . . 1 . . . . . . . . 4162 1 727 . 1 1 60 60 ASP CA C 13 54.16 . . 1 . . . . . . . . 4162 1 728 . 1 1 60 60 ASP CB C 13 41.20 . . 1 . . . . . . . . 4162 1 729 . 1 1 60 60 ASP N N 15 112.75 . . 1 . . . . . . . . 4162 1 730 . 1 1 61 61 SER H H 1 7.52 . . 1 . . . . . . . . 4162 1 731 . 1 1 61 61 SER HA H 1 5.37 . . 1 . . . . . . . . 4162 1 732 . 1 1 61 61 SER HB2 H 1 3.86 . . 2 . . . . . . . . 4162 1 733 . 1 1 61 61 SER HB3 H 1 3.93 . . 2 . . . . . . . . 4162 1 734 . 1 1 61 61 SER C C 13 174.0 . . 1 . . . . . . . . 4162 1 735 . 1 1 61 61 SER CA C 13 57.56 . . 1 . . . . . . . . 4162 1 736 . 1 1 61 61 SER CB C 13 65.99 . . 1 . . . . . . . . 4162 1 737 . 1 1 61 61 SER N N 15 109.61 . . 1 . . . . . . . . 4162 1 738 . 1 1 62 62 SER H H 1 8.70 . . 1 . . . . . . . . 4162 1 739 . 1 1 62 62 SER HA H 1 5.25 . . 1 . . . . . . . . 4162 1 740 . 1 1 62 62 SER HB2 H 1 3.42 . . 2 . . . . . . . . 4162 1 741 . 1 1 62 62 SER HB3 H 1 3.67 . . 2 . . . . . . . . 4162 1 742 . 1 1 62 62 SER C C 13 175.1 . . 1 . . . . . . . . 4162 1 743 . 1 1 62 62 SER CA C 13 56.35 . . 1 . . . . . . . . 4162 1 744 . 1 1 62 62 SER CB C 13 65.36 . . 1 . . . . . . . . 4162 1 745 . 1 1 62 62 SER N N 15 111.07 . . 1 . . . . . . . . 4162 1 746 . 1 1 63 63 THR H H 1 8.99 . . 1 . . . . . . . . 4162 1 747 . 1 1 63 63 THR HA H 1 5.31 . . 1 . . . . . . . . 4162 1 748 . 1 1 63 63 THR HB H 1 3.82 . . 1 . . . . . . . . 4162 1 749 . 1 1 63 63 THR HG21 H 1 0.91 . . 1 . . . . . . . . 4162 1 750 . 1 1 63 63 THR HG22 H 1 0.91 . . 1 . . . . . . . . 4162 1 751 . 1 1 63 63 THR HG23 H 1 0.91 . . 1 . . . . . . . . 4162 1 752 . 1 1 63 63 THR C C 13 173.9 . . 1 . . . . . . . . 4162 1 753 . 1 1 63 63 THR CA C 13 61.78 . . 1 . . . . . . . . 4162 1 754 . 1 1 63 63 THR N N 15 124.70 . . 1 . . . . . . . . 4162 1 755 . 1 1 64 64 LEU H H 1 9.01 . . 1 . . . . . . . . 4162 1 756 . 1 1 64 64 LEU HA H 1 4.45 . . 1 . . . . . . . . 4162 1 757 . 1 1 64 64 LEU HB2 H 1 -1.07 . . 2 . . . . . . . . 4162 1 758 . 1 1 64 64 LEU HB3 H 1 0.59 . . 2 . . . . . . . . 4162 1 759 . 1 1 64 64 LEU HG H 1 0.66 . . 1 . . . . . . . . 4162 1 760 . 1 1 64 64 LEU HD11 H 1 -.36 . . 1 . . . . . . . . 4162 1 761 . 1 1 64 64 LEU HD12 H 1 -.36 . . 1 . . . . . . . . 4162 1 762 . 1 1 64 64 LEU HD13 H 1 -.36 . . 1 . . . . . . . . 4162 1 763 . 1 1 64 64 LEU HD21 H 1 0.06 . . 1 . . . . . . . . 4162 1 764 . 1 1 64 64 LEU HD22 H 1 0.06 . . 1 . . . . . . . . 4162 1 765 . 1 1 64 64 LEU HD23 H 1 0.06 . . 1 . . . . . . . . 4162 1 766 . 1 1 64 64 LEU C C 13 175.8 . . 1 . . . . . . . . 4162 1 767 . 1 1 64 64 LEU CA C 13 52.98 . . 1 . . . . . . . . 4162 1 768 . 1 1 64 64 LEU CB C 13 42.63 . . 1 . . . . . . . . 4162 1 769 . 1 1 64 64 LEU CG C 13 27.21 . . 1 . . . . . . . . 4162 1 770 . 1 1 64 64 LEU CD1 C 13 25.85 . . 2 . . . . . . . . 4162 1 771 . 1 1 64 64 LEU CD2 C 13 24.62 . . 2 . . . . . . . . 4162 1 772 . 1 1 64 64 LEU N N 15 130.63 . . 1 . . . . . . . . 4162 1 773 . 1 1 65 65 THR H H 1 9.14 . . 1 . . . . . . . . 4162 1 774 . 1 1 65 65 THR HA H 1 4.59 . . 1 . . . . . . . . 4162 1 775 . 1 1 65 65 THR HB H 1 3.54 . . 1 . . . . . . . . 4162 1 776 . 1 1 65 65 THR HG21 H 1 0.30 . . 1 . . . . . . . . 4162 1 777 . 1 1 65 65 THR HG22 H 1 0.30 . . 1 . . . . . . . . 4162 1 778 . 1 1 65 65 THR HG23 H 1 0.30 . . 1 . . . . . . . . 4162 1 779 . 1 1 65 65 THR C C 13 173.2 . . 1 . . . . . . . . 4162 1 780 . 1 1 65 65 THR CA C 13 60.94 . . 1 . . . . . . . . 4162 1 781 . 1 1 65 65 THR N N 15 120.97 . . 1 . . . . . . . . 4162 1 782 . 1 1 66 66 ILE H H 1 8.06 . . 1 . . . . . . . . 4162 1 783 . 1 1 66 66 ILE HA H 1 4.25 . . 1 . . . . . . . . 4162 1 784 . 1 1 66 66 ILE HB H 1 1.52 . . 1 . . . . . . . . 4162 1 785 . 1 1 66 66 ILE HG12 H 1 0.72 . . 2 . . . . . . . . 4162 1 786 . 1 1 66 66 ILE HG13 H 1 1.23 . . 2 . . . . . . . . 4162 1 787 . 1 1 66 66 ILE HG21 H 1 0.60 . . 1 . . . . . . . . 4162 1 788 . 1 1 66 66 ILE HG22 H 1 0.60 . . 1 . . . . . . . . 4162 1 789 . 1 1 66 66 ILE HG23 H 1 0.60 . . 1 . . . . . . . . 4162 1 790 . 1 1 66 66 ILE HD11 H 1 0.36 . . 1 . . . . . . . . 4162 1 791 . 1 1 66 66 ILE HD12 H 1 0.36 . . 1 . . . . . . . . 4162 1 792 . 1 1 66 66 ILE HD13 H 1 0.36 . . 1 . . . . . . . . 4162 1 793 . 1 1 66 66 ILE C C 13 175.2 . . 1 . . . . . . . . 4162 1 794 . 1 1 66 66 ILE CA C 13 60.25 . . 1 . . . . . . . . 4162 1 795 . 1 1 66 66 ILE CB C 13 39.74 . . 1 . . . . . . . . 4162 1 796 . 1 1 66 66 ILE CG1 C 13 27.71 . . 1 . . . . . . . . 4162 1 797 . 1 1 66 66 ILE CG2 C 13 16.71 . . 1 . . . . . . . . 4162 1 798 . 1 1 66 66 ILE CD1 C 13 14.17 . . 1 . . . . . . . . 4162 1 799 . 1 1 66 66 ILE N N 15 123.50 . . 1 . . . . . . . . 4162 1 800 . 1 1 67 67 TYR H H 1 8.37 . . 1 . . . . . . . . 4162 1 801 . 1 1 67 67 TYR HA H 1 4.61 . . 1 . . . . . . . . 4162 1 802 . 1 1 67 67 TYR HB2 H 1 2.91 . . 2 . . . . . . . . 4162 1 803 . 1 1 67 67 TYR HB3 H 1 2.81 . . 2 . . . . . . . . 4162 1 804 . 1 1 67 67 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 4162 1 805 . 1 1 67 67 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 4162 1 806 . 1 1 67 67 TYR HE1 H 1 6.67 . . 1 . . . . . . . . 4162 1 807 . 1 1 67 67 TYR HE2 H 1 6.67 . . 1 . . . . . . . . 4162 1 808 . 1 1 67 67 TYR C C 13 175.5 . . 1 . . . . . . . . 4162 1 809 . 1 1 67 67 TYR CA C 13 56.36 . . 1 . . . . . . . . 4162 1 810 . 1 1 67 67 TYR CB C 13 39.54 . . 1 . . . . . . . . 4162 1 811 . 1 1 67 67 TYR N N 15 122.42 . . 1 . . . . . . . . 4162 1 812 . 1 1 68 68 ASN H H 1 8.14 . . 1 . . . . . . . . 4162 1 813 . 1 1 68 68 ASN HA H 1 3.85 . . 1 . . . . . . . . 4162 1 814 . 1 1 68 68 ASN HB2 H 1 2.37 . . 2 . . . . . . . . 4162 1 815 . 1 1 68 68 ASN HB3 H 1 2.85 . . 2 . . . . . . . . 4162 1 816 . 1 1 68 68 ASN HD21 H 1 6.72 . . 2 . . . . . . . . 4162 1 817 . 1 1 68 68 ASN HD22 H 1 7.31 . . 2 . . . . . . . . 4162 1 818 . 1 1 68 68 ASN C C 13 175.5 . . 1 . . . . . . . . 4162 1 819 . 1 1 68 68 ASN CA C 13 52.44 . . 1 . . . . . . . . 4162 1 820 . 1 1 68 68 ASN CB C 13 36.89 . . 1 . . . . . . . . 4162 1 821 . 1 1 68 68 ASN N N 15 114.92 . . 1 . . . . . . . . 4162 1 822 . 1 1 68 68 ASN ND2 N 15 108.26 . . 1 . . . . . . . . 4162 1 823 . 1 1 69 69 ALA H H 1 8.31 . . 1 . . . . . . . . 4162 1 824 . 1 1 69 69 ALA HA H 1 3.86 . . 1 . . . . . . . . 4162 1 825 . 1 1 69 69 ALA HB1 H 1 1.16 . . 1 . . . . . . . . 4162 1 826 . 1 1 69 69 ALA HB2 H 1 1.16 . . 1 . . . . . . . . 4162 1 827 . 1 1 69 69 ALA HB3 H 1 1.16 . . 1 . . . . . . . . 4162 1 828 . 1 1 69 69 ALA C C 13 178.8 . . 1 . . . . . . . . 4162 1 829 . 1 1 69 69 ALA CA C 13 53.24 . . 1 . . . . . . . . 4162 1 830 . 1 1 69 69 ALA CB C 13 19.89 . . 1 . . . . . . . . 4162 1 831 . 1 1 69 69 ALA N N 15 115.32 . . 1 . . . . . . . . 4162 1 832 . 1 1 70 70 ASN H H 1 9.41 . . 1 . . . . . . . . 4162 1 833 . 1 1 70 70 ASN HA H 1 4.94 . . 1 . . . . . . . . 4162 1 834 . 1 1 70 70 ASN HB2 H 1 2.69 . . 2 . . . . . . . . 4162 1 835 . 1 1 70 70 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 4162 1 836 . 1 1 70 70 ASN HD21 H 1 6.56 . . 2 . . . . . . . . 4162 1 837 . 1 1 70 70 ASN HD22 H 1 7.77 . . 2 . . . . . . . . 4162 1 838 . 1 1 70 70 ASN C C 13 176.5 . . 1 . . . . . . . . 4162 1 839 . 1 1 70 70 ASN CA C 13 51.00 . . 1 . . . . . . . . 4162 1 840 . 1 1 70 70 ASN CB C 13 41.66 . . 1 . . . . . . . . 4162 1 841 . 1 1 70 70 ASN N N 15 119.32 . . 1 . . . . . . . . 4162 1 842 . 1 1 70 70 ASN ND2 N 15 111.16 . . 1 . . . . . . . . 4162 1 843 . 1 1 71 71 ILE H H 1 8.71 . . 1 . . . . . . . . 4162 1 844 . 1 1 71 71 ILE HA H 1 3.71 . . 1 . . . . . . . . 4162 1 845 . 1 1 71 71 ILE HB H 1 1.81 . . 1 . . . . . . . . 4162 1 846 . 1 1 71 71 ILE HG12 H 1 1.39 . . 2 . . . . . . . . 4162 1 847 . 1 1 71 71 ILE HG13 H 1 1.24 . . 2 . . . . . . . . 4162 1 848 . 1 1 71 71 ILE HG21 H 1 0.88 . . 1 . . . . . . . . 4162 1 849 . 1 1 71 71 ILE HG22 H 1 0.88 . . 1 . . . . . . . . 4162 1 850 . 1 1 71 71 ILE HG23 H 1 0.88 . . 1 . . . . . . . . 4162 1 851 . 1 1 71 71 ILE HD11 H 1 0.80 . . 1 . . . . . . . . 4162 1 852 . 1 1 71 71 ILE HD12 H 1 0.80 . . 1 . . . . . . . . 4162 1 853 . 1 1 71 71 ILE HD13 H 1 0.80 . . 1 . . . . . . . . 4162 1 854 . 1 1 71 71 ILE C C 13 177.9 . . 1 . . . . . . . . 4162 1 855 . 1 1 71 71 ILE CA C 13 63.75 . . 1 . . . . . . . . 4162 1 856 . 1 1 71 71 ILE CB C 13 38.39 . . 1 . . . . . . . . 4162 1 857 . 1 1 71 71 ILE CG1 C 13 27.59 . . 1 . . . . . . . . 4162 1 858 . 1 1 71 71 ILE CG2 C 13 18.25 . . 1 . . . . . . . . 4162 1 859 . 1 1 71 71 ILE CD1 C 13 13.82 . . 1 . . . . . . . . 4162 1 860 . 1 1 71 71 ILE N N 15 117.27 . . 1 . . . . . . . . 4162 1 861 . 1 1 72 72 ASP H H 1 8.48 . . 1 . . . . . . . . 4162 1 862 . 1 1 72 72 ASP HA H 1 4.61 . . 1 . . . . . . . . 4162 1 863 . 1 1 72 72 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 4162 1 864 . 1 1 72 72 ASP HB3 H 1 2.76 . . 2 . . . . . . . . 4162 1 865 . 1 1 72 72 ASP C C 13 177.3 . . 1 . . . . . . . . 4162 1 866 . 1 1 72 72 ASP CA C 13 55.37 . . 1 . . . . . . . . 4162 1 867 . 1 1 72 72 ASP CB C 13 39.82 . . 1 . . . . . . . . 4162 1 868 . 1 1 72 72 ASP N N 15 117.71 . . 1 . . . . . . . . 4162 1 869 . 1 1 73 73 ASP H H 1 8.11 . . 1 . . . . . . . . 4162 1 870 . 1 1 73 73 ASP HA H 1 4.58 . . 1 . . . . . . . . 4162 1 871 . 1 1 73 73 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 4162 1 872 . 1 1 73 73 ASP HB3 H 1 2.80 . . 2 . . . . . . . . 4162 1 873 . 1 1 73 73 ASP C C 13 177.2 . . 1 . . . . . . . . 4162 1 874 . 1 1 73 73 ASP CA C 13 54.59 . . 1 . . . . . . . . 4162 1 875 . 1 1 73 73 ASP CB C 13 41.85 . . 1 . . . . . . . . 4162 1 876 . 1 1 73 73 ASP N N 15 116.42 . . 1 . . . . . . . . 4162 1 877 . 1 1 74 74 ALA H H 1 7.00 . . 1 . . . . . . . . 4162 1 878 . 1 1 74 74 ALA HA H 1 4.03 . . 1 . . . . . . . . 4162 1 879 . 1 1 74 74 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 4162 1 880 . 1 1 74 74 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 4162 1 881 . 1 1 74 74 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 4162 1 882 . 1 1 74 74 ALA C C 13 177.3 . . 1 . . . . . . . . 4162 1 883 . 1 1 74 74 ALA CA C 13 52.77 . . 1 . . . . . . . . 4162 1 884 . 1 1 74 74 ALA CB C 13 21.03 . . 1 . . . . . . . . 4162 1 885 . 1 1 74 74 ALA N N 15 118.96 . . 1 . . . . . . . . 4162 1 886 . 1 1 75 75 GLY H H 1 8.90 . . 1 . . . . . . . . 4162 1 887 . 1 1 75 75 GLY HA2 H 1 3.75 . . 2 . . . . . . . . 4162 1 888 . 1 1 75 75 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 4162 1 889 . 1 1 75 75 GLY C C 13 172.5 . . 1 . . . . . . . . 4162 1 890 . 1 1 75 75 GLY CA C 13 43.60 . . 1 . . . . . . . . 4162 1 891 . 1 1 75 75 GLY N N 15 105.89 . . 1 . . . . . . . . 4162 1 892 . 1 1 76 76 ILE H H 1 8.32 . . 1 . . . . . . . . 4162 1 893 . 1 1 76 76 ILE HA H 1 4.78 . . 1 . . . . . . . . 4162 1 894 . 1 1 76 76 ILE HB H 1 1.68 . . 1 . . . . . . . . 4162 1 895 . 1 1 76 76 ILE HG12 H 1 0.92 . . 2 . . . . . . . . 4162 1 896 . 1 1 76 76 ILE HG13 H 1 1.56 . . 2 . . . . . . . . 4162 1 897 . 1 1 76 76 ILE HG21 H 1 0.73 . . 1 . . . . . . . . 4162 1 898 . 1 1 76 76 ILE HG22 H 1 0.73 . . 1 . . . . . . . . 4162 1 899 . 1 1 76 76 ILE HG23 H 1 0.73 . . 1 . . . . . . . . 4162 1 900 . 1 1 76 76 ILE HD11 H 1 0.79 . . 1 . . . . . . . . 4162 1 901 . 1 1 76 76 ILE HD12 H 1 0.79 . . 1 . . . . . . . . 4162 1 902 . 1 1 76 76 ILE HD13 H 1 0.79 . . 1 . . . . . . . . 4162 1 903 . 1 1 76 76 ILE C C 13 177.2 . . 1 . . . . . . . . 4162 1 904 . 1 1 76 76 ILE CA C 13 60.54 . . 1 . . . . . . . . 4162 1 905 . 1 1 76 76 ILE CB C 13 37.89 . . 1 . . . . . . . . 4162 1 906 . 1 1 76 76 ILE CG1 C 13 28.07 . . 1 . . . . . . . . 4162 1 907 . 1 1 76 76 ILE CG2 C 13 18.65 . . 1 . . . . . . . . 4162 1 908 . 1 1 76 76 ILE CD1 C 13 13.31 . . 1 . . . . . . . . 4162 1 909 . 1 1 76 76 ILE N N 15 117.48 . . 1 . . . . . . . . 4162 1 910 . 1 1 77 77 TYR H H 1 8.95 . . 1 . . . . . . . . 4162 1 911 . 1 1 77 77 TYR HA H 1 4.69 . . 1 . . . . . . . . 4162 1 912 . 1 1 77 77 TYR HB2 H 1 2.81 . . 2 . . . . . . . . 4162 1 913 . 1 1 77 77 TYR HB3 H 1 2.84 . . 2 . . . . . . . . 4162 1 914 . 1 1 77 77 TYR HD1 H 1 7.00 . . 1 . . . . . . . . 4162 1 915 . 1 1 77 77 TYR HD2 H 1 7.00 . . 1 . . . . . . . . 4162 1 916 . 1 1 77 77 TYR HE1 H 1 6.58 . . 1 . . . . . . . . 4162 1 917 . 1 1 77 77 TYR HE2 H 1 6.58 . . 1 . . . . . . . . 4162 1 918 . 1 1 77 77 TYR C C 13 176.1 . . 1 . . . . . . . . 4162 1 919 . 1 1 77 77 TYR CA C 13 56.84 . . 1 . . . . . . . . 4162 1 920 . 1 1 77 77 TYR CB C 13 39.79 . . 1 . . . . . . . . 4162 1 921 . 1 1 77 77 TYR N N 15 127.56 . . 1 . . . . . . . . 4162 1 922 . 1 1 78 78 LYS H H 1 8.57 . . 1 . . . . . . . . 4162 1 923 . 1 1 78 78 LYS HA H 1 5.18 . . 1 . . . . . . . . 4162 1 924 . 1 1 78 78 LYS HB2 H 1 1.55 . . 1 . . . . . . . . 4162 1 925 . 1 1 78 78 LYS HB3 H 1 1.55 . . 1 . . . . . . . . 4162 1 926 . 1 1 78 78 LYS HG2 H 1 1.12 . . 2 . . . . . . . . 4162 1 927 . 1 1 78 78 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 4162 1 928 . 1 1 78 78 LYS HD2 H 1 1.29 . . 2 . . . . . . . . 4162 1 929 . 1 1 78 78 LYS HD3 H 1 1.25 . . 2 . . . . . . . . 4162 1 930 . 1 1 78 78 LYS HE2 H 1 2.45 . . 1 . . . . . . . . 4162 1 931 . 1 1 78 78 LYS HE3 H 1 2.45 . . 1 . . . . . . . . 4162 1 932 . 1 1 78 78 LYS C C 13 174.5 . . 1 . . . . . . . . 4162 1 933 . 1 1 78 78 LYS CA C 13 54.24 . . 1 . . . . . . . . 4162 1 934 . 1 1 78 78 LYS CB C 13 37.11 . . 1 . . . . . . . . 4162 1 935 . 1 1 78 78 LYS CG C 13 25.07 . . 1 . . . . . . . . 4162 1 936 . 1 1 78 78 LYS CD C 13 29.15 . . 1 . . . . . . . . 4162 1 937 . 1 1 78 78 LYS CE C 13 40.89 . . 1 . . . . . . . . 4162 1 938 . 1 1 78 78 LYS N N 15 116.74 . . 1 . . . . . . . . 4162 1 939 . 1 1 79 79 CYS H H 1 8.76 . . 1 . . . . . . . . 4162 1 940 . 1 1 79 79 CYS HA H 1 4.50 . . 1 . . . . . . . . 4162 1 941 . 1 1 79 79 CYS HB2 H 1 1.36 . . 2 . . . . . . . . 4162 1 942 . 1 1 79 79 CYS HB3 H 1 2.01 . . 2 . . . . . . . . 4162 1 943 . 1 1 79 79 CYS C C 13 173.4 . . 1 . . . . . . . . 4162 1 944 . 1 1 79 79 CYS CA C 13 52.27 . . 1 . . . . . . . . 4162 1 945 . 1 1 79 79 CYS CB C 13 43.63 . . 1 . . . . . . . . 4162 1 946 . 1 1 79 79 CYS N N 15 122.82 . . 1 . . . . . . . . 4162 1 947 . 1 1 80 80 VAL H H 1 9.25 . . 1 . . . . . . . . 4162 1 948 . 1 1 80 80 VAL HA H 1 4.52 . . 1 . . . . . . . . 4162 1 949 . 1 1 80 80 VAL HB H 1 1.94 . . 1 . . . . . . . . 4162 1 950 . 1 1 80 80 VAL HG11 H 1 0.73 . . 1 . . . . . . . . 4162 1 951 . 1 1 80 80 VAL HG12 H 1 0.73 . . 1 . . . . . . . . 4162 1 952 . 1 1 80 80 VAL HG13 H 1 0.73 . . 1 . . . . . . . . 4162 1 953 . 1 1 80 80 VAL HG21 H 1 0.73 . . 1 . . . . . . . . 4162 1 954 . 1 1 80 80 VAL HG22 H 1 0.73 . . 1 . . . . . . . . 4162 1 955 . 1 1 80 80 VAL HG23 H 1 0.73 . . 1 . . . . . . . . 4162 1 956 . 1 1 80 80 VAL C C 13 176.5 . . 1 . . . . . . . . 4162 1 957 . 1 1 80 80 VAL CA C 13 60.81 . . 1 . . . . . . . . 4162 1 958 . 1 1 80 80 VAL CB C 13 34.99 . . 1 . . . . . . . . 4162 1 959 . 1 1 80 80 VAL CG1 C 13 21.14 . . 2 . . . . . . . . 4162 1 960 . 1 1 80 80 VAL CG2 C 13 22.56 . . 2 . . . . . . . . 4162 1 961 . 1 1 80 80 VAL N N 15 124.19 . . 1 . . . . . . . . 4162 1 962 . 1 1 81 81 VAL H H 1 9.21 . . 1 . . . . . . . . 4162 1 963 . 1 1 81 81 VAL HA H 1 5.16 . . 1 . . . . . . . . 4162 1 964 . 1 1 81 81 VAL HB H 1 1.70 . . 1 . . . . . . . . 4162 1 965 . 1 1 81 81 VAL HG11 H 1 0.74 . . 1 . . . . . . . . 4162 1 966 . 1 1 81 81 VAL HG12 H 1 0.74 . . 1 . . . . . . . . 4162 1 967 . 1 1 81 81 VAL HG13 H 1 0.74 . . 1 . . . . . . . . 4162 1 968 . 1 1 81 81 VAL HG21 H 1 0.74 . . 1 . . . . . . . . 4162 1 969 . 1 1 81 81 VAL HG22 H 1 0.74 . . 1 . . . . . . . . 4162 1 970 . 1 1 81 81 VAL HG23 H 1 0.74 . . 1 . . . . . . . . 4162 1 971 . 1 1 81 81 VAL C C 13 175.1 . . 1 . . . . . . . . 4162 1 972 . 1 1 81 81 VAL CA C 13 58.93 . . 1 . . . . . . . . 4162 1 973 . 1 1 81 81 VAL CB C 13 33.80 . . 1 . . . . . . . . 4162 1 974 . 1 1 81 81 VAL CG1 C 13 22.96 . . 1 . . . . . . . . 4162 1 975 . 1 1 81 81 VAL CG2 C 13 21.74 . . 1 . . . . . . . . 4162 1 976 . 1 1 81 81 VAL N N 15 128.30 . . 1 . . . . . . . . 4162 1 977 . 1 1 82 82 THR H H 1 8.92 . . 1 . . . . . . . . 4162 1 978 . 1 1 82 82 THR HA H 1 4.94 . . 1 . . . . . . . . 4162 1 979 . 1 1 82 82 THR HB H 1 3.94 . . 1 . . . . . . . . 4162 1 980 . 1 1 82 82 THR HG21 H 1 1.22 . . 1 . . . . . . . . 4162 1 981 . 1 1 82 82 THR HG22 H 1 1.22 . . 1 . . . . . . . . 4162 1 982 . 1 1 82 82 THR HG23 H 1 1.22 . . 1 . . . . . . . . 4162 1 983 . 1 1 82 82 THR C C 13 175.6 . . 1 . . . . . . . . 4162 1 984 . 1 1 82 82 THR CA C 13 60.96 . . 1 . . . . . . . . 4162 1 985 . 1 1 82 82 THR N N 15 121.14 . . 1 . . . . . . . . 4162 1 986 . 1 1 83 83 ALA H H 1 8.99 . . 1 . . . . . . . . 4162 1 987 . 1 1 83 83 ALA HA H 1 4.76 . . 1 . . . . . . . . 4162 1 988 . 1 1 83 83 ALA HB1 H 1 1.51 . . 1 . . . . . . . . 4162 1 989 . 1 1 83 83 ALA HB2 H 1 1.51 . . 1 . . . . . . . . 4162 1 990 . 1 1 83 83 ALA HB3 H 1 1.51 . . 1 . . . . . . . . 4162 1 991 . 1 1 83 83 ALA C C 13 179.5 . . 1 . . . . . . . . 4162 1 992 . 1 1 83 83 ALA CA C 13 50.70 . . 1 . . . . . . . . 4162 1 993 . 1 1 83 83 ALA CB C 13 21.63 . . 1 . . . . . . . . 4162 1 994 . 1 1 83 83 ALA N N 15 127.37 . . 1 . . . . . . . . 4162 1 995 . 1 1 84 84 GLU H H 1 9.15 . . 1 . . . . . . . . 4162 1 996 . 1 1 84 84 GLU HA H 1 4.09 . . 1 . . . . . . . . 4162 1 997 . 1 1 84 84 GLU HB2 H 1 2.10 . . 2 . . . . . . . . 4162 1 998 . 1 1 84 84 GLU HB3 H 1 2.16 . . 2 . . . . . . . . 4162 1 999 . 1 1 84 84 GLU HG2 H 1 2.23 . . 2 . . . . . . . . 4162 1 1000 . 1 1 84 84 GLU HG3 H 1 2.36 . . 2 . . . . . . . . 4162 1 1001 . 1 1 84 84 GLU C C 13 177.1 . . 1 . . . . . . . . 4162 1 1002 . 1 1 84 84 GLU CA C 13 58.62 . . 1 . . . . . . . . 4162 1 1003 . 1 1 84 84 GLU CB C 13 29.11 . . 1 . . . . . . . . 4162 1 1004 . 1 1 84 84 GLU CG C 13 35.65 . . 1 . . . . . . . . 4162 1 1005 . 1 1 84 84 GLU N N 15 119.25 . . 1 . . . . . . . . 4162 1 1006 . 1 1 85 85 ASP H H 1 7.67 . . 1 . . . . . . . . 4162 1 1007 . 1 1 85 85 ASP HA H 1 4.53 . . 1 . . . . . . . . 4162 1 1008 . 1 1 85 85 ASP HB2 H 1 3.07 . . 2 . . . . . . . . 4162 1 1009 . 1 1 85 85 ASP HB3 H 1 2.60 . . 2 . . . . . . . . 4162 1 1010 . 1 1 85 85 ASP C C 13 177.8 . . 1 . . . . . . . . 4162 1 1011 . 1 1 85 85 ASP CA C 13 52.59 . . 1 . . . . . . . . 4162 1 1012 . 1 1 85 85 ASP CB C 13 40.05 . . 1 . . . . . . . . 4162 1 1013 . 1 1 85 85 ASP N N 15 114.12 . . 1 . . . . . . . . 4162 1 1014 . 1 1 86 86 GLY H H 1 8.15 . . 1 . . . . . . . . 4162 1 1015 . 1 1 86 86 GLY HA2 H 1 3.49 . . 2 . . . . . . . . 4162 1 1016 . 1 1 86 86 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 4162 1 1017 . 1 1 86 86 GLY C C 13 175.6 . . 1 . . . . . . . . 4162 1 1018 . 1 1 86 86 GLY CA C 13 44.67 . . 1 . . . . . . . . 4162 1 1019 . 1 1 86 86 GLY N N 15 106.19 . . 1 . . . . . . . . 4162 1 1020 . 1 1 87 87 THR H H 1 7.93 . . 1 . . . . . . . . 4162 1 1021 . 1 1 87 87 THR HA H 1 4.03 . . 1 . . . . . . . . 4162 1 1022 . 1 1 87 87 THR HG21 H 1 1.15 . . 1 . . . . . . . . 4162 1 1023 . 1 1 87 87 THR HG22 H 1 1.15 . . 1 . . . . . . . . 4162 1 1024 . 1 1 87 87 THR HG23 H 1 1.15 . . 1 . . . . . . . . 4162 1 1025 . 1 1 87 87 THR C C 13 174.4 . . 1 . . . . . . . . 4162 1 1026 . 1 1 87 87 THR CA C 13 63.66 . . 1 . . . . . . . . 4162 1 1027 . 1 1 87 87 THR N N 15 114.34 . . 1 . . . . . . . . 4162 1 1028 . 1 1 88 88 GLN H H 1 8.61 . . 1 . . . . . . . . 4162 1 1029 . 1 1 88 88 GLN HA H 1 5.66 . . 1 . . . . . . . . 4162 1 1030 . 1 1 88 88 GLN HB2 H 1 2.32 . . 2 . . . . . . . . 4162 1 1031 . 1 1 88 88 GLN HB3 H 1 1.76 . . 2 . . . . . . . . 4162 1 1032 . 1 1 88 88 GLN HG2 H 1 1.84 . . 2 . . . . . . . . 4162 1 1033 . 1 1 88 88 GLN HG3 H 1 2.24 . . 2 . . . . . . . . 4162 1 1034 . 1 1 88 88 GLN HE21 H 1 6.69 . . 2 . . . . . . . . 4162 1 1035 . 1 1 88 88 GLN HE22 H 1 7.53 . . 2 . . . . . . . . 4162 1 1036 . 1 1 88 88 GLN C C 13 176.8 . . 1 . . . . . . . . 4162 1 1037 . 1 1 88 88 GLN CA C 13 54.08 . . 1 . . . . . . . . 4162 1 1038 . 1 1 88 88 GLN CB C 13 33.50 . . 1 . . . . . . . . 4162 1 1039 . 1 1 88 88 GLN CG C 13 34.50 . . 1 . . . . . . . . 4162 1 1040 . 1 1 88 88 GLN N N 15 120.77 . . 1 . . . . . . . . 4162 1 1041 . 1 1 88 88 GLN NE2 N 15 110.92 . . 1 . . . . . . . . 4162 1 1042 . 1 1 89 89 SER H H 1 8.75 . . 1 . . . . . . . . 4162 1 1043 . 1 1 89 89 SER HA H 1 4.71 . . 1 . . . . . . . . 4162 1 1044 . 1 1 89 89 SER HB2 H 1 3.50 . . 2 . . . . . . . . 4162 1 1045 . 1 1 89 89 SER HB3 H 1 3.64 . . 2 . . . . . . . . 4162 1 1046 . 1 1 89 89 SER C C 13 172.5 . . 1 . . . . . . . . 4162 1 1047 . 1 1 89 89 SER CA C 13 57.06 . . 1 . . . . . . . . 4162 1 1048 . 1 1 89 89 SER CB C 13 65.51 . . 1 . . . . . . . . 4162 1 1049 . 1 1 89 89 SER N N 15 115.86 . . 1 . . . . . . . . 4162 1 1050 . 1 1 90 90 GLU H H 1 8.53 . . 1 . . . . . . . . 4162 1 1051 . 1 1 90 90 GLU HA H 1 5.61 . . 1 . . . . . . . . 4162 1 1052 . 1 1 90 90 GLU HB2 H 1 1.74 . . 2 . . . . . . . . 4162 1 1053 . 1 1 90 90 GLU HB3 H 1 1.92 . . 2 . . . . . . . . 4162 1 1054 . 1 1 90 90 GLU HG2 H 1 1.83 . . 2 . . . . . . . . 4162 1 1055 . 1 1 90 90 GLU HG3 H 1 2.05 . . 2 . . . . . . . . 4162 1 1056 . 1 1 90 90 GLU C C 13 175.2 . . 1 . . . . . . . . 4162 1 1057 . 1 1 90 90 GLU CA C 13 53.64 . . 1 . . . . . . . . 4162 1 1058 . 1 1 90 90 GLU CB C 13 34.79 . . 1 . . . . . . . . 4162 1 1059 . 1 1 90 90 GLU CG C 13 34.86 . . 1 . . . . . . . . 4162 1 1060 . 1 1 90 90 GLU N N 15 117.81 . . 1 . . . . . . . . 4162 1 1061 . 1 1 91 91 ALA H H 1 8.82 . . 1 . . . . . . . . 4162 1 1062 . 1 1 91 91 ALA HA H 1 4.76 . . 1 . . . . . . . . 4162 1 1063 . 1 1 91 91 ALA HB1 H 1 1.28 . . 1 . . . . . . . . 4162 1 1064 . 1 1 91 91 ALA HB2 H 1 1.28 . . 1 . . . . . . . . 4162 1 1065 . 1 1 91 91 ALA HB3 H 1 1.28 . . 1 . . . . . . . . 4162 1 1066 . 1 1 91 91 ALA C C 13 176.1 . . 1 . . . . . . . . 4162 1 1067 . 1 1 91 91 ALA CA C 13 50.72 . . 1 . . . . . . . . 4162 1 1068 . 1 1 91 91 ALA CB C 13 20.75 . . 1 . . . . . . . . 4162 1 1069 . 1 1 91 91 ALA N N 15 121.05 . . 1 . . . . . . . . 4162 1 1070 . 1 1 92 92 THR H H 1 8.31 . . 1 . . . . . . . . 4162 1 1071 . 1 1 92 92 THR HA H 1 5.29 . . 1 . . . . . . . . 4162 1 1072 . 1 1 92 92 THR HB H 1 4.07 . . 1 . . . . . . . . 4162 1 1073 . 1 1 92 92 THR HG21 H 1 0.96 . . 1 . . . . . . . . 4162 1 1074 . 1 1 92 92 THR HG22 H 1 0.96 . . 1 . . . . . . . . 4162 1 1075 . 1 1 92 92 THR HG23 H 1 0.96 . . 1 . . . . . . . . 4162 1 1076 . 1 1 92 92 THR C C 13 174.2 . . 1 . . . . . . . . 4162 1 1077 . 1 1 92 92 THR CA C 13 58.84 . . 1 . . . . . . . . 4162 1 1078 . 1 1 92 92 THR N N 15 106.63 . . 1 . . . . . . . . 4162 1 1079 . 1 1 93 93 VAL H H 1 8.80 . . 1 . . . . . . . . 4162 1 1080 . 1 1 93 93 VAL HA H 1 4.60 . . 1 . . . . . . . . 4162 1 1081 . 1 1 93 93 VAL HB H 1 1.84 . . 1 . . . . . . . . 4162 1 1082 . 1 1 93 93 VAL HG11 H 1 0.64 . . 1 . . . . . . . . 4162 1 1083 . 1 1 93 93 VAL HG12 H 1 0.64 . . 1 . . . . . . . . 4162 1 1084 . 1 1 93 93 VAL HG13 H 1 0.64 . . 1 . . . . . . . . 4162 1 1085 . 1 1 93 93 VAL HG21 H 1 0.47 . . 1 . . . . . . . . 4162 1 1086 . 1 1 93 93 VAL HG22 H 1 0.47 . . 1 . . . . . . . . 4162 1 1087 . 1 1 93 93 VAL HG23 H 1 0.47 . . 1 . . . . . . . . 4162 1 1088 . 1 1 93 93 VAL C C 13 172.5 . . 1 . . . . . . . . 4162 1 1089 . 1 1 93 93 VAL CA C 13 58.92 . . 1 . . . . . . . . 4162 1 1090 . 1 1 93 93 VAL CB C 13 34.40 . . 1 . . . . . . . . 4162 1 1091 . 1 1 93 93 VAL CG1 C 13 21.24 . . 2 . . . . . . . . 4162 1 1092 . 1 1 93 93 VAL CG2 C 13 19.14 . . 2 . . . . . . . . 4162 1 1093 . 1 1 93 93 VAL N N 15 115.91 . . 1 . . . . . . . . 4162 1 1094 . 1 1 94 94 ASN H H 1 8.43 . . 1 . . . . . . . . 4162 1 1095 . 1 1 94 94 ASN HA H 1 4.80 . . 1 . . . . . . . . 4162 1 1096 . 1 1 94 94 ASN HB2 H 1 2.58 . . 2 . . . . . . . . 4162 1 1097 . 1 1 94 94 ASN HB3 H 1 2.95 . . 2 . . . . . . . . 4162 1 1098 . 1 1 94 94 ASN HD21 H 1 6.69 . . 2 . . . . . . . . 4162 1 1099 . 1 1 94 94 ASN HD22 H 1 7.46 . . 2 . . . . . . . . 4162 1 1100 . 1 1 94 94 ASN C C 13 174.9 . . 1 . . . . . . . . 4162 1 1101 . 1 1 94 94 ASN CA C 13 52.05 . . 1 . . . . . . . . 4162 1 1102 . 1 1 94 94 ASN CB C 13 38.55 . . 1 . . . . . . . . 4162 1 1103 . 1 1 94 94 ASN N N 15 125.06 . . 1 . . . . . . . . 4162 1 1104 . 1 1 94 94 ASN ND2 N 15 107.61 . . 1 . . . . . . . . 4162 1 1105 . 1 1 95 95 VAL H H 1 8.88 . . 1 . . . . . . . . 4162 1 1106 . 1 1 95 95 VAL HA H 1 4.21 . . 1 . . . . . . . . 4162 1 1107 . 1 1 95 95 VAL HB H 1 2.39 . . 1 . . . . . . . . 4162 1 1108 . 1 1 95 95 VAL HG11 H 1 0.60 . . 1 . . . . . . . . 4162 1 1109 . 1 1 95 95 VAL HG12 H 1 0.60 . . 1 . . . . . . . . 4162 1 1110 . 1 1 95 95 VAL HG13 H 1 0.60 . . 1 . . . . . . . . 4162 1 1111 . 1 1 95 95 VAL HG21 H 1 0.28 . . 1 . . . . . . . . 4162 1 1112 . 1 1 95 95 VAL HG22 H 1 0.28 . . 1 . . . . . . . . 4162 1 1113 . 1 1 95 95 VAL HG23 H 1 0.28 . . 1 . . . . . . . . 4162 1 1114 . 1 1 95 95 VAL C C 13 176.2 . . 1 . . . . . . . . 4162 1 1115 . 1 1 95 95 VAL CA C 13 62.36 . . 1 . . . . . . . . 4162 1 1116 . 1 1 95 95 VAL CB C 13 32.38 . . 1 . . . . . . . . 4162 1 1117 . 1 1 95 95 VAL CG1 C 13 22.82 . . 2 . . . . . . . . 4162 1 1118 . 1 1 95 95 VAL CG2 C 13 21.71 . . 2 . . . . . . . . 4162 1 1119 . 1 1 95 95 VAL N N 15 126.75 . . 1 . . . . . . . . 4162 1 1120 . 1 1 96 96 LYS H H 1 8.45 . . 1 . . . . . . . . 4162 1 1121 . 1 1 96 96 LYS HA H 1 4.51 . . 1 . . . . . . . . 4162 1 1122 . 1 1 96 96 LYS HB2 H 1 1.64 . . 1 . . . . . . . . 4162 1 1123 . 1 1 96 96 LYS HB3 H 1 1.64 . . 1 . . . . . . . . 4162 1 1124 . 1 1 96 96 LYS HG2 H 1 1.24 . . 2 . . . . . . . . 4162 1 1125 . 1 1 96 96 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 4162 1 1126 . 1 1 96 96 LYS HD2 H 1 1.65 . . 1 . . . . . . . . 4162 1 1127 . 1 1 96 96 LYS HD3 H 1 1.65 . . 1 . . . . . . . . 4162 1 1128 . 1 1 96 96 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 4162 1 1129 . 1 1 96 96 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 4162 1 1130 . 1 1 96 96 LYS C C 13 174.9 . . 1 . . . . . . . . 4162 1 1131 . 1 1 96 96 LYS CA C 13 54.66 . . 1 . . . . . . . . 4162 1 1132 . 1 1 96 96 LYS CB C 13 35.17 . . 1 . . . . . . . . 4162 1 1133 . 1 1 96 96 LYS CG C 13 25.11 . . 1 . . . . . . . . 4162 1 1134 . 1 1 96 96 LYS CD C 13 29.65 . . 1 . . . . . . . . 4162 1 1135 . 1 1 96 96 LYS CE C 13 41.59 . . 1 . . . . . . . . 4162 1 1136 . 1 1 96 96 LYS N N 15 128.30 . . 1 . . . . . . . . 4162 1 1137 . 1 1 97 97 ILE H H 1 7.87 . . 1 . . . . . . . . 4162 1 1138 . 1 1 97 97 ILE HA H 1 5.22 . . 1 . . . . . . . . 4162 1 1139 . 1 1 97 97 ILE HB H 1 1.71 . . 1 . . . . . . . . 4162 1 1140 . 1 1 97 97 ILE HG12 H 1 1.09 . . 2 . . . . . . . . 4162 1 1141 . 1 1 97 97 ILE HG13 H 1 1.45 . . 2 . . . . . . . . 4162 1 1142 . 1 1 97 97 ILE HG21 H 1 0.51 . . 1 . . . . . . . . 4162 1 1143 . 1 1 97 97 ILE HG22 H 1 0.51 . . 1 . . . . . . . . 4162 1 1144 . 1 1 97 97 ILE HG23 H 1 0.51 . . 1 . . . . . . . . 4162 1 1145 . 1 1 97 97 ILE HD11 H 1 0.52 . . 1 . . . . . . . . 4162 1 1146 . 1 1 97 97 ILE HD12 H 1 0.52 . . 1 . . . . . . . . 4162 1 1147 . 1 1 97 97 ILE HD13 H 1 0.52 . . 1 . . . . . . . . 4162 1 1148 . 1 1 97 97 ILE C C 13 176.2 . . 1 . . . . . . . . 4162 1 1149 . 1 1 97 97 ILE CA C 13 57.15 . . 1 . . . . . . . . 4162 1 1150 . 1 1 97 97 ILE CB C 13 38.14 . . 1 . . . . . . . . 4162 1 1151 . 1 1 97 97 ILE CG1 C 13 26.95 . . 1 . . . . . . . . 4162 1 1152 . 1 1 97 97 ILE CG2 C 13 17.30 . . 1 . . . . . . . . 4162 1 1153 . 1 1 97 97 ILE CD1 C 13 18.01 . . 1 . . . . . . . . 4162 1 1154 . 1 1 97 97 ILE N N 15 120.30 . . 1 . . . . . . . . 4162 1 1155 . 1 1 98 98 PHE H H 1 8.52 . . 1 . . . . . . . . 4162 1 1156 . 1 1 98 98 PHE HA H 1 4.80 . . 1 . . . . . . . . 4162 1 1157 . 1 1 98 98 PHE HB2 H 1 2.87 . . 2 . . . . . . . . 4162 1 1158 . 1 1 98 98 PHE HB3 H 1 3.06 . . 2 . . . . . . . . 4162 1 1159 . 1 1 98 98 PHE HD1 H 1 7.11 . . 1 . . . . . . . . 4162 1 1160 . 1 1 98 98 PHE HD2 H 1 7.11 . . 1 . . . . . . . . 4162 1 1161 . 1 1 98 98 PHE HE1 H 1 7.15 . . 1 . . . . . . . . 4162 1 1162 . 1 1 98 98 PHE HE2 H 1 7.15 . . 1 . . . . . . . . 4162 1 1163 . 1 1 98 98 PHE HZ H 1 7.17 . . 1 . . . . . . . . 4162 1 1164 . 1 1 98 98 PHE C C 13 174.6 . . 1 . . . . . . . . 4162 1 1165 . 1 1 98 98 PHE CA C 13 55.85 . . 1 . . . . . . . . 4162 1 1166 . 1 1 98 98 PHE CB C 13 41.16 . . 1 . . . . . . . . 4162 1 1167 . 1 1 98 98 PHE N N 15 124.65 . . 1 . . . . . . . . 4162 1 1168 . 1 1 99 99 GLN H H 1 8.19 . . 1 . . . . . . . . 4162 1 1169 . 1 1 99 99 GLN HA H 1 4.15 . . 1 . . . . . . . . 4162 1 1170 . 1 1 99 99 GLN HB2 H 1 1.92 . . 2 . . . . . . . . 4162 1 1171 . 1 1 99 99 GLN HB3 H 1 2.00 . . 2 . . . . . . . . 4162 1 1172 . 1 1 99 99 GLN HG2 H 1 2.26 . . 1 . . . . . . . . 4162 1 1173 . 1 1 99 99 GLN HG3 H 1 2.26 . . 1 . . . . . . . . 4162 1 1174 . 1 1 99 99 GLN HE21 H 1 6.82 . . 2 . . . . . . . . 4162 1 1175 . 1 1 99 99 GLN HE22 H 1 7.60 . . 2 . . . . . . . . 4162 1 1176 . 1 1 99 99 GLN CA C 13 57.17 . . 1 . . . . . . . . 4162 1 1177 . 1 1 99 99 GLN CB C 13 30.76 . . 1 . . . . . . . . 4162 1 1178 . 1 1 99 99 GLN CG C 13 34.49 . . 1 . . . . . . . . 4162 1 1179 . 1 1 99 99 GLN N N 15 123.82 . . 1 . . . . . . . . 4162 1 1180 . 1 1 99 99 GLN NE2 N 15 109.74 . . 1 . . . . . . . . 4162 1 stop_ save_