data_4860 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4860 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for human lymphocyte specific kinase (Lck) unique and SH3 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-10-17 _Entry.Accession_date 2000-10-17 _Entry.Last_release_date 2000-12-07 _Entry.Original_release_date 2000-12-07 _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 Lars Briese . . . 4860 2 Silke Hoffmann . . . 4860 3 Ute Friedrich . . . 4860 4 Brigitte Biesinger . . . 4860 5 Dieter Willbold . . . 4860 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4860 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 622 4860 '13C chemical shifts' 436 4860 '15N chemical shifts' 118 4860 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 . . 2000-12-07 2000-10-17 original author . 4860 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4860 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Sequence-specific 1H, 13C and 15N resonance assignments of lymphocyte specific kinase unique and SH3 domains ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 19 _Citation.Journal_issue 2 _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 193 _Citation.Page_last 194 _Citation.Year 2001 _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 Lars Briese . . . 4860 1 2 Silke Hoffmann . . . 4860 1 3 Ute Friedrich . . . 4860 1 4 Brigitte Biesinger . . . 4860 1 5 Dieter Willbold . . . 4860 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_p56Lck _Assembly.Sf_category assembly _Assembly.Sf_framecode p56Lck _Assembly.Entry_ID 4860 _Assembly.ID 1 _Assembly.Name 'Lck unique SH3' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4860 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 'Lck unique SH3' 1 $Lck . . . native . . . . . 4860 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Lck unique SH3' system 4860 1 p56Lck abbreviation 4860 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Lck _Entity.Sf_category entity _Entity.Sf_framecode Lck _Entity.Entry_ID 4860 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'lymphocyte specific kinase' _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 ; GPLGSMGCGCSSHPEDDWME NIDVCENCHYPIVPLDGKGT LLIRNGSEVRDPLVTYEGSN PPASPLQDNLVIALHSYEPS HDGDLGFEKGEQLRILEQSG EWWKAQSLTTGQEGFIPFNF VAKANS ; _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 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5794 . LckSH32 . . . . . 50.79 169 100.00 100.00 3.26e-36 . . . . 4860 1 2 no PDB 1LCK . "Sh3-Sh2 Domain Fragment Of Human P56-Lck Tyrosine Kinase Complexed With The 10 Residue Synthetic Phosphotyrosyl Peptide Tegqpyq" . . . . . 54.76 175 100.00 100.00 3.57e-40 . . . . 4860 1 3 no PDB 4D8K . "Crystal Structure Of A Sh3-Sh2 Domains Of A Lymphocyte-Specific Protein Tyrosine Kinase (Lck) From Homo Sapiens At 2.36 A Resol" . . . . . 54.76 175 100.00 100.00 4.16e-40 . . . . 4860 1 4 no DBJ BAG64189 . "unnamed protein product [Homo sapiens]" . . . . . 99.21 536 98.40 99.20 1.17e-81 . . . . 4860 1 5 no DBJ BAI45973 . "lymphocyte-specific protein tyrosine kinase [synthetic construct]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 6 no EMBL CAA28691 . "unnamed protein product [Homo sapiens]" . . . . . 96.03 507 100.00 100.00 6.44e-81 . . . . 4860 1 7 no EMBL CAA31884 . "unnamed protein product [Homo sapiens]" . . . . . 96.03 509 99.17 99.17 1.97e-79 . . . . 4860 1 8 no EMBL CAA32211 . "unnamed protein product [Homo sapiens]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 9 no EMBL CAC44027 . "lck protein [Hylobates sp.]" . . . . . 96.03 509 100.00 100.00 1.30e-80 . . . . 4860 1 10 no GB AAA18225 . "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" . . . . . 96.03 512 99.17 100.00 3.79e-80 . . . . 4860 1 11 no GB AAA59502 . "lymphocyte-specific protein tyrosine kinase [Homo sapiens]" . . . . . 96.03 509 97.52 97.52 1.53e-77 . . . . 4860 1 12 no GB AAC50287 . "p56lck [Homo sapiens]" . . . . . 96.03 363 100.00 100.00 2.89e-82 . . . . 4860 1 13 no GB AAF34794 . "tyrosine kinase LCK, partial [Homo sapiens]" . . . . . 85.71 496 100.00 100.00 9.36e-69 . . . . 4860 1 14 no GB AAH13200 . "LCK protein [Homo sapiens]" . . . . . 96.03 539 100.00 100.00 2.84e-80 . . . . 4860 1 15 no PRF 2201317A . "protein Tyr kinase p56lck" . . . . . 96.03 363 100.00 100.00 2.89e-82 . . . . 4860 1 16 no REF NP_001036236 . "tyrosine-protein kinase Lck [Homo sapiens]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 17 no REF NP_005347 . "tyrosine-protein kinase Lck [Homo sapiens]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 18 no REF XP_002802373 . "PREDICTED: tyrosine-protein kinase Lck-like [Macaca mulatta]" . . . . . 96.03 181 100.00 100.00 1.01e-83 . . . . 4860 1 19 no REF XP_003276479 . "PREDICTED: tyrosine-protein kinase Lck [Nomascus leucogenys]" . . . . . 76.19 446 97.92 98.96 5.89e-59 . . . . 4860 1 20 no REF XP_003828198 . "PREDICTED: tyrosine-protein kinase Lck isoform X4 [Pan paniscus]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 21 no SP P06239 . "RecName: Full=Tyrosine-protein kinase Lck; AltName: Full=Leukocyte C-terminal Src kinase; Short=LSK; AltName: Full=Lymphocyte c" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 22 no TPE CAD55807 . "TPA: protein tyrosine kinase [Homo sapiens]" . . . . . 96.03 509 100.00 100.00 1.42e-80 . . . . 4860 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'lymphocyte specific kinase' common 4860 1 Lck abbreviation 4860 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4860 1 2 . PRO . 4860 1 3 . LEU . 4860 1 4 . GLY . 4860 1 5 . SER . 4860 1 6 . MET . 4860 1 7 . GLY . 4860 1 8 . CYS . 4860 1 9 . GLY . 4860 1 10 . CYS . 4860 1 11 . SER . 4860 1 12 . SER . 4860 1 13 . HIS . 4860 1 14 . PRO . 4860 1 15 . GLU . 4860 1 16 . ASP . 4860 1 17 . ASP . 4860 1 18 . TRP . 4860 1 19 . MET . 4860 1 20 . GLU . 4860 1 21 . ASN . 4860 1 22 . ILE . 4860 1 23 . ASP . 4860 1 24 . VAL . 4860 1 25 . CYS . 4860 1 26 . GLU . 4860 1 27 . ASN . 4860 1 28 . CYS . 4860 1 29 . HIS . 4860 1 30 . TYR . 4860 1 31 . PRO . 4860 1 32 . ILE . 4860 1 33 . VAL . 4860 1 34 . PRO . 4860 1 35 . LEU . 4860 1 36 . ASP . 4860 1 37 . GLY . 4860 1 38 . LYS . 4860 1 39 . GLY . 4860 1 40 . THR . 4860 1 41 . LEU . 4860 1 42 . LEU . 4860 1 43 . ILE . 4860 1 44 . ARG . 4860 1 45 . ASN . 4860 1 46 . GLY . 4860 1 47 . SER . 4860 1 48 . GLU . 4860 1 49 . VAL . 4860 1 50 . ARG . 4860 1 51 . ASP . 4860 1 52 . PRO . 4860 1 53 . LEU . 4860 1 54 . VAL . 4860 1 55 . THR . 4860 1 56 . TYR . 4860 1 57 . GLU . 4860 1 58 . GLY . 4860 1 59 . SER . 4860 1 60 . ASN . 4860 1 61 . PRO . 4860 1 62 . PRO . 4860 1 63 . ALA . 4860 1 64 . SER . 4860 1 65 . PRO . 4860 1 66 . LEU . 4860 1 67 . GLN . 4860 1 68 . ASP . 4860 1 69 . ASN . 4860 1 70 . LEU . 4860 1 71 . VAL . 4860 1 72 . ILE . 4860 1 73 . ALA . 4860 1 74 . LEU . 4860 1 75 . HIS . 4860 1 76 . SER . 4860 1 77 . TYR . 4860 1 78 . GLU . 4860 1 79 . PRO . 4860 1 80 . SER . 4860 1 81 . HIS . 4860 1 82 . ASP . 4860 1 83 . GLY . 4860 1 84 . ASP . 4860 1 85 . LEU . 4860 1 86 . GLY . 4860 1 87 . PHE . 4860 1 88 . GLU . 4860 1 89 . LYS . 4860 1 90 . GLY . 4860 1 91 . GLU . 4860 1 92 . GLN . 4860 1 93 . LEU . 4860 1 94 . ARG . 4860 1 95 . ILE . 4860 1 96 . LEU . 4860 1 97 . GLU . 4860 1 98 . GLN . 4860 1 99 . SER . 4860 1 100 . GLY . 4860 1 101 . GLU . 4860 1 102 . TRP . 4860 1 103 . TRP . 4860 1 104 . LYS . 4860 1 105 . ALA . 4860 1 106 . GLN . 4860 1 107 . SER . 4860 1 108 . LEU . 4860 1 109 . THR . 4860 1 110 . THR . 4860 1 111 . GLY . 4860 1 112 . GLN . 4860 1 113 . GLU . 4860 1 114 . GLY . 4860 1 115 . PHE . 4860 1 116 . ILE . 4860 1 117 . PRO . 4860 1 118 . PHE . 4860 1 119 . ASN . 4860 1 120 . PHE . 4860 1 121 . VAL . 4860 1 122 . ALA . 4860 1 123 . LYS . 4860 1 124 . ALA . 4860 1 125 . ASN . 4860 1 126 . SER . 4860 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4860 1 . PRO 2 2 4860 1 . LEU 3 3 4860 1 . GLY 4 4 4860 1 . SER 5 5 4860 1 . MET 6 6 4860 1 . GLY 7 7 4860 1 . CYS 8 8 4860 1 . GLY 9 9 4860 1 . CYS 10 10 4860 1 . SER 11 11 4860 1 . SER 12 12 4860 1 . HIS 13 13 4860 1 . PRO 14 14 4860 1 . GLU 15 15 4860 1 . ASP 16 16 4860 1 . ASP 17 17 4860 1 . TRP 18 18 4860 1 . MET 19 19 4860 1 . GLU 20 20 4860 1 . ASN 21 21 4860 1 . ILE 22 22 4860 1 . ASP 23 23 4860 1 . VAL 24 24 4860 1 . CYS 25 25 4860 1 . GLU 26 26 4860 1 . ASN 27 27 4860 1 . CYS 28 28 4860 1 . HIS 29 29 4860 1 . TYR 30 30 4860 1 . PRO 31 31 4860 1 . ILE 32 32 4860 1 . VAL 33 33 4860 1 . PRO 34 34 4860 1 . LEU 35 35 4860 1 . ASP 36 36 4860 1 . GLY 37 37 4860 1 . LYS 38 38 4860 1 . GLY 39 39 4860 1 . THR 40 40 4860 1 . LEU 41 41 4860 1 . LEU 42 42 4860 1 . ILE 43 43 4860 1 . ARG 44 44 4860 1 . ASN 45 45 4860 1 . GLY 46 46 4860 1 . SER 47 47 4860 1 . GLU 48 48 4860 1 . VAL 49 49 4860 1 . ARG 50 50 4860 1 . ASP 51 51 4860 1 . PRO 52 52 4860 1 . LEU 53 53 4860 1 . VAL 54 54 4860 1 . THR 55 55 4860 1 . TYR 56 56 4860 1 . GLU 57 57 4860 1 . GLY 58 58 4860 1 . SER 59 59 4860 1 . ASN 60 60 4860 1 . PRO 61 61 4860 1 . PRO 62 62 4860 1 . ALA 63 63 4860 1 . SER 64 64 4860 1 . PRO 65 65 4860 1 . LEU 66 66 4860 1 . GLN 67 67 4860 1 . ASP 68 68 4860 1 . ASN 69 69 4860 1 . LEU 70 70 4860 1 . VAL 71 71 4860 1 . ILE 72 72 4860 1 . ALA 73 73 4860 1 . LEU 74 74 4860 1 . HIS 75 75 4860 1 . SER 76 76 4860 1 . TYR 77 77 4860 1 . GLU 78 78 4860 1 . PRO 79 79 4860 1 . SER 80 80 4860 1 . HIS 81 81 4860 1 . ASP 82 82 4860 1 . GLY 83 83 4860 1 . ASP 84 84 4860 1 . LEU 85 85 4860 1 . GLY 86 86 4860 1 . PHE 87 87 4860 1 . GLU 88 88 4860 1 . LYS 89 89 4860 1 . GLY 90 90 4860 1 . GLU 91 91 4860 1 . GLN 92 92 4860 1 . LEU 93 93 4860 1 . ARG 94 94 4860 1 . ILE 95 95 4860 1 . LEU 96 96 4860 1 . GLU 97 97 4860 1 . GLN 98 98 4860 1 . SER 99 99 4860 1 . GLY 100 100 4860 1 . GLU 101 101 4860 1 . TRP 102 102 4860 1 . TRP 103 103 4860 1 . LYS 104 104 4860 1 . ALA 105 105 4860 1 . GLN 106 106 4860 1 . SER 107 107 4860 1 . LEU 108 108 4860 1 . THR 109 109 4860 1 . THR 110 110 4860 1 . GLY 111 111 4860 1 . GLN 112 112 4860 1 . GLU 113 113 4860 1 . GLY 114 114 4860 1 . PHE 115 115 4860 1 . ILE 116 116 4860 1 . PRO 117 117 4860 1 . PHE 118 118 4860 1 . ASN 119 119 4860 1 . PHE 120 120 4860 1 . VAL 121 121 4860 1 . ALA 122 122 4860 1 . LYS 123 123 4860 1 . ALA 124 124 4860 1 . ASN 125 125 4860 1 . SER 126 126 4860 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 4860 _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 $Lck . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4860 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 4860 _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 $Lck . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . plasmid . . pLCKU3 . . . . . . 4860 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4860 _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 'lymphocyte specific kinase' '[U-15N; U-13C]' . . 1 $Lck . . 1.6 . . mM . . . . 4860 1 2 'sodium acetate' . . . . . . . 20 . . mM . . . . 4860 1 3 2-mercaptoethanol . . . . . . . 10 . . mM . . . . 4860 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4860 _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 6.5 0.1 n/a 4860 1 temperature 298 1 K 4860 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 4860 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4860 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Varian 'Unity Inova' . 750 . . . 4860 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 4860 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 15N-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 2 13C-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 3 '15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 4 '13C NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 5 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 6 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 7 HCCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 8 CCONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 10 HCCH-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4860 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '13C NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCACONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HCCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CCONH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 4860 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4860 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 . direct . . . . . . . . . . 4860 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4860 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4860 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4860 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4860 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 6 6 MET CA C 13 55.7 0.2 . 1 . . . . . . . . 4860 1 2 . 1 1 6 6 MET CB C 13 32.6 0.2 . 1 . . . . . . . . 4860 1 3 . 1 1 6 6 MET CE C 13 17.1 0.2 . 1 . . . . . . . . 4860 1 4 . 1 1 6 6 MET HE1 H 1 2.06 0.02 . 1 . . . . . . . . 4860 1 5 . 1 1 6 6 MET HE2 H 1 2.06 0.02 . 1 . . . . . . . . 4860 1 6 . 1 1 6 6 MET HE3 H 1 2.06 0.02 . 1 . . . . . . . . 4860 1 7 . 1 1 6 6 MET C C 13 176.9 0.2 . 1 . . . . . . . . 4860 1 8 . 1 1 7 7 GLY N N 15 109.7 0.1 . 1 . . . . . . . . 4860 1 9 . 1 1 7 7 GLY H H 1 8.36 0.02 . 1 . . . . . . . . 4860 1 10 . 1 1 7 7 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4860 1 11 . 1 1 7 7 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4860 1 12 . 1 1 7 7 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 4860 1 13 . 1 1 8 8 CYS N N 15 117.1 0.1 . 1 . . . . . . . . 4860 1 14 . 1 1 8 8 CYS H H 1 8.32 0.02 . 1 . . . . . . . . 4860 1 15 . 1 1 8 8 CYS CA C 13 58.7 0.2 . 1 . . . . . . . . 4860 1 16 . 1 1 8 8 CYS HA H 1 4.52 0.02 . 1 . . . . . . . . 4860 1 17 . 1 1 8 8 CYS CB C 13 28.3 0.2 . 1 . . . . . . . . 4860 1 18 . 1 1 8 8 CYS HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4860 1 19 . 1 1 8 8 CYS C C 13 175.4 0.2 . 1 . . . . . . . . 4860 1 20 . 1 1 9 9 GLY N N 15 111.6 0.1 . 1 . . . . . . . . 4860 1 21 . 1 1 9 9 GLY H H 1 8.57 0.02 . 1 . . . . . . . . 4860 1 22 . 1 1 9 9 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4860 1 23 . 1 1 9 9 GLY HA3 H 1 3.97 0.02 . 2 . . . . . . . . 4860 1 24 . 1 1 9 9 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4860 1 25 . 1 1 10 10 CYS N N 15 118.9 0.1 . 1 . . . . . . . . 4860 1 26 . 1 1 10 10 CYS H H 1 8.22 0.02 . 1 . . . . . . . . 4860 1 27 . 1 1 10 10 CYS CA C 13 58.5 0.2 . 1 . . . . . . . . 4860 1 28 . 1 1 10 10 CYS HA H 1 4.57 0.02 . 1 . . . . . . . . 4860 1 29 . 1 1 10 10 CYS CB C 13 28.5 0.2 . 1 . . . . . . . . 4860 1 30 . 1 1 10 10 CYS HB2 H 1 2.89 0.02 . 2 . . . . . . . . 4860 1 31 . 1 1 10 10 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 4860 1 32 . 1 1 11 11 SER N N 15 118.5 0.1 . 1 . . . . . . . . 4860 1 33 . 1 1 11 11 SER H H 1 8.47 0.02 . 1 . . . . . . . . 4860 1 34 . 1 1 11 11 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4860 1 35 . 1 1 11 11 SER HA H 1 4.46 0.02 . 1 . . . . . . . . 4860 1 36 . 1 1 11 11 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 4860 1 37 . 1 1 11 11 SER HB2 H 1 3.89 0.02 . 2 . . . . . . . . 4860 1 38 . 1 1 11 11 SER HB3 H 1 3.79 0.02 . 2 . . . . . . . . 4860 1 39 . 1 1 11 11 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4860 1 40 . 1 1 12 12 SER N N 15 117.6 0.1 . 1 . . . . . . . . 4860 1 41 . 1 1 12 12 SER H H 1 8.28 0.02 . 1 . . . . . . . . 4860 1 42 . 1 1 12 12 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4860 1 43 . 1 1 12 12 SER HA H 1 3.87 0.02 . 1 . . . . . . . . 4860 1 44 . 1 1 12 12 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4860 1 45 . 1 1 12 12 SER HB2 H 1 3.76 0.02 . 2 . . . . . . . . 4860 1 46 . 1 1 12 12 SER C C 13 174.0 0.2 . 1 . . . . . . . . 4860 1 47 . 1 1 13 13 HIS N N 15 120.7 0.1 . 1 . . . . . . . . 4860 1 48 . 1 1 13 13 HIS H H 1 8.41 0.02 . 1 . . . . . . . . 4860 1 49 . 1 1 13 13 HIS CA C 13 53.6 0.2 . 1 . . . . . . . . 4860 1 50 . 1 1 13 13 HIS HA H 1 4.97 0.02 . 1 . . . . . . . . 4860 1 51 . 1 1 13 13 HIS CB C 13 29.0 0.2 . 1 . . . . . . . . 4860 1 52 . 1 1 13 13 HIS HB2 H 1 3.03 0.02 . 2 . . . . . . . . 4860 1 53 . 1 1 13 13 HIS HB3 H 1 3.17 0.02 . 2 . . . . . . . . 4860 1 54 . 1 1 14 14 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4860 1 55 . 1 1 14 14 PRO CA C 13 64.0 0.2 . 1 . . . . . . . . 4860 1 56 . 1 1 14 14 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 4860 1 57 . 1 1 14 14 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 4860 1 58 . 1 1 14 14 PRO HB2 H 1 2.22 0.02 . 2 . . . . . . . . 4860 1 59 . 1 1 14 14 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4860 1 60 . 1 1 14 14 PRO HG2 H 1 1.91 0.02 . 2 . . . . . . . . 4860 1 61 . 1 1 14 14 PRO C C 13 177.4 0.2 . 1 . . . . . . . . 4860 1 62 . 1 1 15 15 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 4860 1 63 . 1 1 15 15 GLU H H 1 8.89 0.02 . 1 . . . . . . . . 4860 1 64 . 1 1 15 15 GLU CA C 13 57.3 0.2 . 1 . . . . . . . . 4860 1 65 . 1 1 15 15 GLU HA H 1 4.19 0.02 . 1 . . . . . . . . 4860 1 66 . 1 1 15 15 GLU CB C 13 29.7 0.2 . 1 . . . . . . . . 4860 1 67 . 1 1 15 15 GLU HB2 H 1 1.92 0.02 . 2 . . . . . . . . 4860 1 68 . 1 1 15 15 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 4860 1 69 . 1 1 15 15 GLU HG2 H 1 2.28 0.02 . 2 . . . . . . . . 4860 1 70 . 1 1 15 15 GLU C C 13 176.8 0.2 . 1 . . . . . . . . 4860 1 71 . 1 1 16 16 ASP N N 15 120.4 0.1 . 1 . . . . . . . . 4860 1 72 . 1 1 16 16 ASP H H 1 8.13 0.02 . 1 . . . . . . . . 4860 1 73 . 1 1 16 16 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 4860 1 74 . 1 1 16 16 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4860 1 75 . 1 1 16 16 ASP CB C 13 41.2 0.2 . 1 . . . . . . . . 4860 1 76 . 1 1 16 16 ASP HB2 H 1 2.59 0.02 . 2 . . . . . . . . 4860 1 77 . 1 1 16 16 ASP C C 13 176.4 0.2 . 1 . . . . . . . . 4860 1 78 . 1 1 17 17 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 4860 1 79 . 1 1 17 17 ASP H H 1 8.11 0.02 . 1 . . . . . . . . 4860 1 80 . 1 1 17 17 ASP CA C 13 54.7 0.2 . 1 . . . . . . . . 4860 1 81 . 1 1 17 17 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4860 1 82 . 1 1 17 17 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 4860 1 83 . 1 1 17 17 ASP HB2 H 1 2.59 0.02 . 2 . . . . . . . . 4860 1 84 . 1 1 17 17 ASP C C 13 176.3 0.2 . 1 . . . . . . . . 4860 1 85 . 1 1 18 18 TRP N N 15 121.1 0.1 . 1 . . . . . . . . 4860 1 86 . 1 1 18 18 TRP H H 1 7.90 0.02 . 1 . . . . . . . . 4860 1 87 . 1 1 18 18 TRP CA C 13 57.7 0.2 . 1 . . . . . . . . 4860 1 88 . 1 1 18 18 TRP HA H 1 4.53 0.02 . 1 . . . . . . . . 4860 1 89 . 1 1 18 18 TRP CB C 13 29.4 0.2 . 1 . . . . . . . . 4860 1 90 . 1 1 18 18 TRP HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4860 1 91 . 1 1 18 18 TRP NE1 N 15 129.8 0.1 . 1 . . . . . . . . 4860 1 92 . 1 1 18 18 TRP HE1 H 1 10.13 0.02 . 1 . . . . . . . . 4860 1 93 . 1 1 18 18 TRP C C 13 176.5 0.2 . 1 . . . . . . . . 4860 1 94 . 1 1 19 19 MET N N 15 121.9 0.1 . 1 . . . . . . . . 4860 1 95 . 1 1 19 19 MET H H 1 7.76 0.02 . 1 . . . . . . . . 4860 1 96 . 1 1 19 19 MET CA C 13 55.8 0.2 . 1 . . . . . . . . 4860 1 97 . 1 1 19 19 MET HA H 1 4.15 0.02 . 1 . . . . . . . . 4860 1 98 . 1 1 19 19 MET CB C 13 33.1 0.2 . 1 . . . . . . . . 4860 1 99 . 1 1 19 19 MET HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4860 1 100 . 1 1 19 19 MET HB3 H 1 1.82 0.02 . 2 . . . . . . . . 4860 1 101 . 1 1 19 19 MET CG C 13 31.8 0.2 . 1 . . . . . . . . 4860 1 102 . 1 1 19 19 MET HG2 H 1 2.10 0.02 . 2 . . . . . . . . 4860 1 103 . 1 1 19 19 MET CE C 13 17.1 0.2 . 1 . . . . . . . . 4860 1 104 . 1 1 19 19 MET HE1 H 1 1.97 0.02 . 1 . . . . . . . . 4860 1 105 . 1 1 19 19 MET HE2 H 1 1.97 0.02 . 1 . . . . . . . . 4860 1 106 . 1 1 19 19 MET HE3 H 1 1.97 0.02 . 1 . . . . . . . . 4860 1 107 . 1 1 19 19 MET C C 13 175.8 0.2 . 1 . . . . . . . . 4860 1 108 . 1 1 20 20 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 4860 1 109 . 1 1 20 20 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4860 1 110 . 1 1 20 20 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4860 1 111 . 1 1 20 20 GLU HA H 1 4.08 0.02 . 1 . . . . . . . . 4860 1 112 . 1 1 20 20 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 4860 1 113 . 1 1 20 20 GLU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 4860 1 114 . 1 1 20 20 GLU HG2 H 1 1.88 0.02 . 2 . . . . . . . . 4860 1 115 . 1 1 20 20 GLU C C 13 176.2 0.2 . 1 . . . . . . . . 4860 1 116 . 1 1 21 21 ASN N N 15 119.6 0.1 . 1 . . . . . . . . 4860 1 117 . 1 1 21 21 ASN H H 1 8.31 0.02 . 1 . . . . . . . . 4860 1 118 . 1 1 21 21 ASN CA C 13 53.3 0.2 . 1 . . . . . . . . 4860 1 119 . 1 1 21 21 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4860 1 120 . 1 1 21 21 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 4860 1 121 . 1 1 21 21 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4860 1 122 . 1 1 21 21 ASN HB3 H 1 2.64 0.02 . 2 . . . . . . . . 4860 1 123 . 1 1 21 21 ASN C C 13 175.1 0.2 . 1 . . . . . . . . 4860 1 124 . 1 1 22 22 ILE N N 15 120.8 0.1 . 1 . . . . . . . . 4860 1 125 . 1 1 22 22 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 4860 1 126 . 1 1 22 22 ILE CA C 13 61.4 0.2 . 1 . . . . . . . . 4860 1 127 . 1 1 22 22 ILE HA H 1 4.13 0.02 . 1 . . . . . . . . 4860 1 128 . 1 1 22 22 ILE CB C 13 39.1 0.2 . 1 . . . . . . . . 4860 1 129 . 1 1 22 22 ILE HB H 1 1.84 0.02 . 1 . . . . . . . . 4860 1 130 . 1 1 22 22 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 4860 1 131 . 1 1 22 22 ILE HG21 H 1 0.83 0.02 . 1 . . . . . . . . 4860 1 132 . 1 1 22 22 ILE HG22 H 1 0.83 0.02 . 1 . . . . . . . . 4860 1 133 . 1 1 22 22 ILE HG23 H 1 0.83 0.02 . 1 . . . . . . . . 4860 1 134 . 1 1 22 22 ILE CG1 C 13 27.2 0.2 . 1 . . . . . . . . 4860 1 135 . 1 1 22 22 ILE HG13 H 1 1.12 0.02 . 2 . . . . . . . . 4860 1 136 . 1 1 22 22 ILE CD1 C 13 13.4 0.2 . 1 . . . . . . . . 4860 1 137 . 1 1 22 22 ILE HD11 H 1 0.88 0.02 . 1 . . . . . . . . 4860 1 138 . 1 1 22 22 ILE HD12 H 1 0.88 0.02 . 1 . . . . . . . . 4860 1 139 . 1 1 22 22 ILE HD13 H 1 0.88 0.02 . 1 . . . . . . . . 4860 1 140 . 1 1 22 22 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 4860 1 141 . 1 1 23 23 ASP N N 15 124.1 0.1 . 1 . . . . . . . . 4860 1 142 . 1 1 23 23 ASP H H 1 8.36 0.02 . 1 . . . . . . . . 4860 1 143 . 1 1 23 23 ASP CA C 13 54.5 0.2 . 1 . . . . . . . . 4860 1 144 . 1 1 23 23 ASP HA H 1 4.64 0.02 . 1 . . . . . . . . 4860 1 145 . 1 1 23 23 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4860 1 146 . 1 1 23 23 ASP HB2 H 1 2.69 0.02 . 2 . . . . . . . . 4860 1 147 . 1 1 23 23 ASP HB3 H 1 2.55 0.02 . 2 . . . . . . . . 4860 1 148 . 1 1 23 23 ASP C C 13 176.5 0.2 . 1 . . . . . . . . 4860 1 149 . 1 1 24 24 VAL N N 15 120.1 0.1 . 1 . . . . . . . . 4860 1 150 . 1 1 24 24 VAL H H 1 8.02 0.02 . 1 . . . . . . . . 4860 1 151 . 1 1 24 24 VAL CA C 13 62.6 0.2 . 1 . . . . . . . . 4860 1 152 . 1 1 24 24 VAL HA H 1 4.08 0.02 . 1 . . . . . . . . 4860 1 153 . 1 1 24 24 VAL CB C 13 32.7 0.2 . 1 . . . . . . . . 4860 1 154 . 1 1 24 24 VAL HB H 1 2.11 0.02 . 1 . . . . . . . . 4860 1 155 . 1 1 24 24 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 156 . 1 1 24 24 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 157 . 1 1 24 24 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 158 . 1 1 24 24 VAL C C 13 176.4 0.2 . 1 . . . . . . . . 4860 1 159 . 1 1 25 25 CYS N N 15 122.5 0.1 . 1 . . . . . . . . 4860 1 160 . 1 1 25 25 CYS H H 1 8.35 0.02 . 1 . . . . . . . . 4860 1 161 . 1 1 25 25 CYS CA C 13 59.0 0.2 . 1 . . . . . . . . 4860 1 162 . 1 1 25 25 CYS HA H 1 4.74 0.02 . 1 . . . . . . . . 4860 1 163 . 1 1 25 25 CYS CB C 13 28.1 0.2 . 1 . . . . . . . . 4860 1 164 . 1 1 25 25 CYS HB2 H 1 2.91 0.02 . 2 . . . . . . . . 4860 1 165 . 1 1 25 25 CYS C C 13 174.9 0.2 . 1 . . . . . . . . 4860 1 166 . 1 1 26 26 GLU N N 15 122.5 0.1 . 1 . . . . . . . . 4860 1 167 . 1 1 26 26 GLU H H 1 8.44 0.02 . 1 . . . . . . . . 4860 1 168 . 1 1 26 26 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 4860 1 169 . 1 1 26 26 GLU HA H 1 4.21 0.02 . 1 . . . . . . . . 4860 1 170 . 1 1 26 26 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4860 1 171 . 1 1 26 26 GLU HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4860 1 172 . 1 1 26 26 GLU CG C 13 36.3 0.2 . 1 . . . . . . . . 4860 1 173 . 1 1 26 26 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4860 1 174 . 1 1 26 26 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4860 1 175 . 1 1 27 27 ASN N N 15 119.2 0.1 . 1 . . . . . . . . 4860 1 176 . 1 1 27 27 ASN H H 1 8.38 0.02 . 1 . . . . . . . . 4860 1 177 . 1 1 27 27 ASN CA C 13 53.4 0.2 . 1 . . . . . . . . 4860 1 178 . 1 1 27 27 ASN HA H 1 4.63 0.02 . 1 . . . . . . . . 4860 1 179 . 1 1 27 27 ASN CB C 13 38.9 0.2 . 1 . . . . . . . . 4860 1 180 . 1 1 27 27 ASN HB2 H 1 2.78 0.02 . 2 . . . . . . . . 4860 1 181 . 1 1 27 27 ASN HB3 H 1 2.70 0.02 . 2 . . . . . . . . 4860 1 182 . 1 1 27 27 ASN C C 13 175.2 0.2 . 1 . . . . . . . . 4860 1 183 . 1 1 28 28 CYS N N 15 118.9 0.1 . 1 . . . . . . . . 4860 1 184 . 1 1 28 28 CYS H H 1 8.10 0.02 . 1 . . . . . . . . 4860 1 185 . 1 1 28 28 CYS CA C 13 58.7 0.2 . 1 . . . . . . . . 4860 1 186 . 1 1 28 28 CYS HA H 1 4.33 0.02 . 1 . . . . . . . . 4860 1 187 . 1 1 28 28 CYS CB C 13 28.0 0.2 . 1 . . . . . . . . 4860 1 188 . 1 1 28 28 CYS HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4860 1 189 . 1 1 29 29 HIS CA C 13 55.3 0.2 . 1 . . . . . . . . 4860 1 190 . 1 1 29 29 HIS HA H 1 4.64 0.02 . 1 . . . . . . . . 4860 1 191 . 1 1 29 29 HIS CB C 13 29.5 0.2 . 1 . . . . . . . . 4860 1 192 . 1 1 29 29 HIS HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4860 1 193 . 1 1 29 29 HIS HB3 H 1 3.09 0.02 . 2 . . . . . . . . 4860 1 194 . 1 1 31 31 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 4860 1 195 . 1 1 31 31 PRO CA C 13 63.1 0.2 . 1 . . . . . . . . 4860 1 196 . 1 1 31 31 PRO HA H 1 4.43 0.02 . 1 . . . . . . . . 4860 1 197 . 1 1 31 31 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4860 1 198 . 1 1 31 31 PRO HB2 H 1 2.19 0.02 . 2 . . . . . . . . 4860 1 199 . 1 1 31 31 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4860 1 200 . 1 1 31 31 PRO HG2 H 1 1.96 0.02 . 2 . . . . . . . . 4860 1 201 . 1 1 31 31 PRO HG3 H 1 1.84 0.02 . 2 . . . . . . . . 4860 1 202 . 1 1 31 31 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 4860 1 203 . 1 1 32 32 ILE N N 15 121.5 0.1 . 1 . . . . . . . . 4860 1 204 . 1 1 32 32 ILE H H 1 8.18 0.02 . 1 . . . . . . . . 4860 1 205 . 1 1 32 32 ILE CA C 13 61.2 0.2 . 1 . . . . . . . . 4860 1 206 . 1 1 32 32 ILE HA H 1 4.12 0.02 . 1 . . . . . . . . 4860 1 207 . 1 1 32 32 ILE CB C 13 38.8 0.2 . 1 . . . . . . . . 4860 1 208 . 1 1 32 32 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 4860 1 209 . 1 1 32 32 ILE CG2 C 13 17.7 0.2 . 1 . . . . . . . . 4860 1 210 . 1 1 32 32 ILE HG21 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 211 . 1 1 32 32 ILE HG22 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 212 . 1 1 32 32 ILE HG23 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 213 . 1 1 32 32 ILE CG1 C 13 27.6 0.2 . 1 . . . . . . . . 4860 1 214 . 1 1 32 32 ILE HG12 H 1 1.48 0.02 . 2 . . . . . . . . 4860 1 215 . 1 1 32 32 ILE HG13 H 1 1.17 0.02 . 2 . . . . . . . . 4860 1 216 . 1 1 32 32 ILE CD1 C 13 13.0 0.2 . 1 . . . . . . . . 4860 1 217 . 1 1 32 32 ILE HD11 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 218 . 1 1 32 32 ILE HD12 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 219 . 1 1 32 32 ILE HD13 H 1 0.84 0.02 . 1 . . . . . . . . 4860 1 220 . 1 1 32 32 ILE C C 13 176.5 0.2 . 1 . . . . . . . . 4860 1 221 . 1 1 33 33 VAL N N 15 126.3 0.1 . 1 . . . . . . . . 4860 1 222 . 1 1 33 33 VAL H H 1 8.19 0.02 . 1 . . . . . . . . 4860 1 223 . 1 1 33 33 VAL CA C 13 59.8 0.2 . 1 . . . . . . . . 4860 1 224 . 1 1 33 33 VAL HA H 1 4.42 0.02 . 1 . . . . . . . . 4860 1 225 . 1 1 33 33 VAL CB C 13 33.0 0.2 . 1 . . . . . . . . 4860 1 226 . 1 1 33 33 VAL HB H 1 2.04 0.02 . 1 . . . . . . . . 4860 1 227 . 1 1 33 33 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 4860 1 228 . 1 1 33 33 VAL HG11 H 1 0.93 0.02 . 1 . . . . . . . . 4860 1 229 . 1 1 33 33 VAL HG12 H 1 0.93 0.02 . 1 . . . . . . . . 4860 1 230 . 1 1 33 33 VAL HG13 H 1 0.93 0.02 . 1 . . . . . . . . 4860 1 231 . 1 1 33 33 VAL CG2 C 13 20.5 0.2 . 1 . . . . . . . . 4860 1 232 . 1 1 33 33 VAL HG21 H 1 0.91 0.02 . 1 . . . . . . . . 4860 1 233 . 1 1 33 33 VAL HG22 H 1 0.91 0.02 . 1 . . . . . . . . 4860 1 234 . 1 1 33 33 VAL HG23 H 1 0.91 0.02 . 1 . . . . . . . . 4860 1 235 . 1 1 34 34 PRO CD C 13 51.2 0.2 . 1 . . . . . . . . 4860 1 236 . 1 1 34 34 PRO CA C 13 63.0 0.2 . 1 . . . . . . . . 4860 1 237 . 1 1 34 34 PRO HA H 1 4.36 0.02 . 1 . . . . . . . . 4860 1 238 . 1 1 34 34 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 4860 1 239 . 1 1 34 34 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4860 1 240 . 1 1 34 34 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4860 1 241 . 1 1 34 34 PRO HG2 H 1 1.99 0.02 . 2 . . . . . . . . 4860 1 242 . 1 1 34 34 PRO HG3 H 1 1.88 0.02 . 2 . . . . . . . . 4860 1 243 . 1 1 34 34 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 4860 1 244 . 1 1 35 35 LEU N N 15 122.9 0.1 . 1 . . . . . . . . 4860 1 245 . 1 1 35 35 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 4860 1 246 . 1 1 35 35 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4860 1 247 . 1 1 35 35 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4860 1 248 . 1 1 35 35 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4860 1 249 . 1 1 35 35 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4860 1 250 . 1 1 35 35 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 4860 1 251 . 1 1 35 35 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 4860 1 252 . 1 1 35 35 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 4860 1 253 . 1 1 35 35 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 254 . 1 1 35 35 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 255 . 1 1 35 35 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 256 . 1 1 35 35 LEU CD2 C 13 23.6 0.2 . 1 . . . . . . . . 4860 1 257 . 1 1 35 35 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 4860 1 258 . 1 1 36 36 ASP N N 15 120.3 0.1 . 1 . . . . . . . . 4860 1 259 . 1 1 36 36 ASP H H 1 8.27 0.02 . 1 . . . . . . . . 4860 1 260 . 1 1 36 36 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 4860 1 261 . 1 1 36 36 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4860 1 262 . 1 1 36 36 ASP CB C 13 41.3 0.2 . 1 . . . . . . . . 4860 1 263 . 1 1 36 36 ASP HB2 H 1 2.67 0.02 . 2 . . . . . . . . 4860 1 264 . 1 1 36 36 ASP C C 13 177.1 0.2 . 1 . . . . . . . . 4860 1 265 . 1 1 37 37 GLY N N 15 109.1 0.1 . 1 . . . . . . . . 4860 1 266 . 1 1 37 37 GLY H H 1 8.29 0.02 . 1 . . . . . . . . 4860 1 267 . 1 1 37 37 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 4860 1 268 . 1 1 37 37 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 4860 1 269 . 1 1 37 37 GLY C C 13 174.8 0.2 . 1 . . . . . . . . 4860 1 270 . 1 1 38 38 LYS N N 15 120.5 0.1 . 1 . . . . . . . . 4860 1 271 . 1 1 38 38 LYS H H 1 8.18 0.02 . 1 . . . . . . . . 4860 1 272 . 1 1 38 38 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 4860 1 273 . 1 1 38 38 LYS HA H 1 4.30 0.02 . 1 . . . . . . . . 4860 1 274 . 1 1 38 38 LYS CB C 13 32.9 0.2 . 1 . . . . . . . . 4860 1 275 . 1 1 38 38 LYS HB2 H 1 1.81 0.02 . 2 . . . . . . . . 4860 1 276 . 1 1 38 38 LYS CG C 13 25.0 0.2 . 1 . . . . . . . . 4860 1 277 . 1 1 38 38 LYS HG2 H 1 1.38 0.02 . 2 . . . . . . . . 4860 1 278 . 1 1 38 38 LYS CD C 13 29.0 0.2 . 1 . . . . . . . . 4860 1 279 . 1 1 38 38 LYS C C 13 177.5 0.2 . 1 . . . . . . . . 4860 1 280 . 1 1 39 39 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 4860 1 281 . 1 1 39 39 GLY H H 1 8.43 0.02 . 1 . . . . . . . . 4860 1 282 . 1 1 39 39 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 4860 1 283 . 1 1 39 39 GLY HA3 H 1 3.96 0.02 . 2 . . . . . . . . 4860 1 284 . 1 1 39 39 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 4860 1 285 . 1 1 40 40 THR N N 15 114.3 0.1 . 1 . . . . . . . . 4860 1 286 . 1 1 40 40 THR H H 1 8.00 0.02 . 1 . . . . . . . . 4860 1 287 . 1 1 40 40 THR CA C 13 62.2 0.2 . 1 . . . . . . . . 4860 1 288 . 1 1 40 40 THR HA H 1 4.28 0.02 . 1 . . . . . . . . 4860 1 289 . 1 1 40 40 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 4860 1 290 . 1 1 40 40 THR HB H 1 4.14 0.02 . 1 . . . . . . . . 4860 1 291 . 1 1 40 40 THR CG2 C 13 21.9 0.2 . 1 . . . . . . . . 4860 1 292 . 1 1 40 40 THR HG21 H 1 1.12 0.02 . 1 . . . . . . . . 4860 1 293 . 1 1 40 40 THR HG22 H 1 1.12 0.02 . 1 . . . . . . . . 4860 1 294 . 1 1 40 40 THR HG23 H 1 1.12 0.02 . 1 . . . . . . . . 4860 1 295 . 1 1 40 40 THR C C 13 174.5 0.2 . 1 . . . . . . . . 4860 1 296 . 1 1 41 41 LEU N N 15 124.9 0.1 . 1 . . . . . . . . 4860 1 297 . 1 1 41 41 LEU H H 1 8.20 0.02 . 1 . . . . . . . . 4860 1 298 . 1 1 41 41 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4860 1 299 . 1 1 41 41 LEU HA H 1 4.33 0.02 . 1 . . . . . . . . 4860 1 300 . 1 1 41 41 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4860 1 301 . 1 1 41 41 LEU HB2 H 1 1.56 0.02 . 2 . . . . . . . . 4860 1 302 . 1 1 41 41 LEU HD11 H 1 0.86 0.02 . 1 . . . . . . . . 4860 1 303 . 1 1 41 41 LEU HD12 H 1 0.86 0.02 . 1 . . . . . . . . 4860 1 304 . 1 1 41 41 LEU HD13 H 1 0.86 0.02 . 1 . . . . . . . . 4860 1 305 . 1 1 41 41 LEU C C 13 177.0 0.2 . 1 . . . . . . . . 4860 1 306 . 1 1 42 42 LEU N N 15 123.9 0.1 . 1 . . . . . . . . 4860 1 307 . 1 1 42 42 LEU H H 1 8.17 0.02 . 1 . . . . . . . . 4860 1 308 . 1 1 42 42 LEU CA C 13 55.3 0.2 . 1 . . . . . . . . 4860 1 309 . 1 1 42 42 LEU HA H 1 4.32 0.02 . 1 . . . . . . . . 4860 1 310 . 1 1 42 42 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 4860 1 311 . 1 1 42 42 LEU HB2 H 1 1.54 0.02 . 2 . . . . . . . . 4860 1 312 . 1 1 42 42 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4860 1 313 . 1 1 42 42 LEU HG H 1 1.61 0.02 . 1 . . . . . . . . 4860 1 314 . 1 1 42 42 LEU CD1 C 13 24.9 0.2 . 1 . . . . . . . . 4860 1 315 . 1 1 42 42 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 316 . 1 1 42 42 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 317 . 1 1 42 42 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 318 . 1 1 42 42 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 319 . 1 1 42 42 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 320 . 1 1 42 42 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 321 . 1 1 42 42 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 4860 1 322 . 1 1 42 42 LEU C C 13 176.9 0.2 . 1 . . . . . . . . 4860 1 323 . 1 1 43 43 ILE N N 15 122.7 0.1 . 1 . . . . . . . . 4860 1 324 . 1 1 43 43 ILE H H 1 8.06 0.02 . 1 . . . . . . . . 4860 1 325 . 1 1 43 43 ILE CA C 13 60.9 0.2 . 1 . . . . . . . . 4860 1 326 . 1 1 43 43 ILE HA H 1 4.14 0.02 . 1 . . . . . . . . 4860 1 327 . 1 1 43 43 ILE CB C 13 38.7 0.2 . 1 . . . . . . . . 4860 1 328 . 1 1 43 43 ILE HB H 1 1.80 0.02 . 1 . . . . . . . . 4860 1 329 . 1 1 43 43 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 4860 1 330 . 1 1 43 43 ILE CD1 C 13 12.8 0.2 . 1 . . . . . . . . 4860 1 331 . 1 1 43 43 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 332 . 1 1 43 43 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 333 . 1 1 43 43 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 334 . 1 1 43 43 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 4860 1 335 . 1 1 44 44 ARG N N 15 125.9 0.1 . 1 . . . . . . . . 4860 1 336 . 1 1 44 44 ARG H H 1 8.43 0.02 . 1 . . . . . . . . 4860 1 337 . 1 1 44 44 ARG CA C 13 56.0 0.2 . 1 . . . . . . . . 4860 1 338 . 1 1 44 44 ARG CB C 13 31.1 0.2 . 1 . . . . . . . . 4860 1 339 . 1 1 44 44 ARG C C 13 176.1 0.2 . 1 . . . . . . . . 4860 1 340 . 1 1 45 45 ASN N N 15 120.9 0.1 . 1 . . . . . . . . 4860 1 341 . 1 1 45 45 ASN H H 1 8.56 0.02 . 1 . . . . . . . . 4860 1 342 . 1 1 45 45 ASN CA C 13 53.5 0.2 . 1 . . . . . . . . 4860 1 343 . 1 1 45 45 ASN HA H 1 4.65 0.02 . 1 . . . . . . . . 4860 1 344 . 1 1 45 45 ASN CB C 13 39.1 0.2 . 1 . . . . . . . . 4860 1 345 . 1 1 45 45 ASN HB2 H 1 2.71 0.02 . 2 . . . . . . . . 4860 1 346 . 1 1 45 45 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4860 1 347 . 1 1 45 45 ASN C C 13 176.0 0.2 . 1 . . . . . . . . 4860 1 348 . 1 1 46 46 GLY N N 15 109.9 0.1 . 1 . . . . . . . . 4860 1 349 . 1 1 46 46 GLY H H 1 8.54 0.02 . 1 . . . . . . . . 4860 1 350 . 1 1 46 46 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4860 1 351 . 1 1 46 46 GLY HA3 H 1 4.00 0.02 . 2 . . . . . . . . 4860 1 352 . 1 1 46 46 GLY HA2 H 1 3.90 0.02 . 2 . . . . . . . . 4860 1 353 . 1 1 46 46 GLY C C 13 174.5 0.2 . 1 . . . . . . . . 4860 1 354 . 1 1 47 47 SER N N 15 115.7 0.1 . 1 . . . . . . . . 4860 1 355 . 1 1 47 47 SER H H 1 8.19 0.02 . 1 . . . . . . . . 4860 1 356 . 1 1 47 47 SER CA C 13 58.7 0.2 . 1 . . . . . . . . 4860 1 357 . 1 1 47 47 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4860 1 358 . 1 1 47 47 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 4860 1 359 . 1 1 47 47 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4860 1 360 . 1 1 47 47 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4860 1 361 . 1 1 48 48 GLU N N 15 122.9 0.1 . 1 . . . . . . . . 4860 1 362 . 1 1 48 48 GLU H H 1 8.54 0.02 . 1 . . . . . . . . 4860 1 363 . 1 1 48 48 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4860 1 364 . 1 1 48 48 GLU HA H 1 4.28 0.02 . 1 . . . . . . . . 4860 1 365 . 1 1 48 48 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4860 1 366 . 1 1 48 48 GLU HB2 H 1 2.00 0.02 . 2 . . . . . . . . 4860 1 367 . 1 1 48 48 GLU HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4860 1 368 . 1 1 48 48 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4860 1 369 . 1 1 48 48 GLU HG2 H 1 2.20 0.02 . 2 . . . . . . . . 4860 1 370 . 1 1 48 48 GLU HG3 H 1 2.25 0.02 . 2 . . . . . . . . 4860 1 371 . 1 1 48 48 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4860 1 372 . 1 1 49 49 VAL N N 15 122.1 0.1 . 1 . . . . . . . . 4860 1 373 . 1 1 49 49 VAL H H 1 8.17 0.02 . 1 . . . . . . . . 4860 1 374 . 1 1 49 49 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4860 1 375 . 1 1 49 49 VAL HA H 1 4.05 0.02 . 1 . . . . . . . . 4860 1 376 . 1 1 49 49 VAL CB C 13 32.8 0.2 . 1 . . . . . . . . 4860 1 377 . 1 1 49 49 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 4860 1 378 . 1 1 49 49 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 4860 1 379 . 1 1 49 49 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 380 . 1 1 49 49 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 381 . 1 1 49 49 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 382 . 1 1 49 49 VAL CG2 C 13 20.9 0.2 . 1 . . . . . . . . 4860 1 383 . 1 1 49 49 VAL C C 13 176.1 0.2 . 1 . . . . . . . . 4860 1 384 . 1 1 50 50 ARG N N 15 125.7 0.1 . 1 . . . . . . . . 4860 1 385 . 1 1 50 50 ARG H H 1 8.37 0.02 . 1 . . . . . . . . 4860 1 386 . 1 1 50 50 ARG CA C 13 55.6 0.2 . 1 . . . . . . . . 4860 1 387 . 1 1 50 50 ARG HA H 1 4.34 0.02 . 1 . . . . . . . . 4860 1 388 . 1 1 50 50 ARG CB C 13 31.3 0.2 . 1 . . . . . . . . 4860 1 389 . 1 1 50 50 ARG HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4860 1 390 . 1 1 50 50 ARG HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4860 1 391 . 1 1 50 50 ARG CG C 13 27.2 0.2 . 1 . . . . . . . . 4860 1 392 . 1 1 50 50 ARG HG2 H 1 1.53 0.02 . 2 . . . . . . . . 4860 1 393 . 1 1 50 50 ARG HG3 H 1 1.49 0.02 . 2 . . . . . . . . 4860 1 394 . 1 1 50 50 ARG CD C 13 43.4 0.2 . 1 . . . . . . . . 4860 1 395 . 1 1 50 50 ARG HD2 H 1 3.08 0.02 . 2 . . . . . . . . 4860 1 396 . 1 1 50 50 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 4860 1 397 . 1 1 51 51 ASP N N 15 123.9 0.1 . 1 . . . . . . . . 4860 1 398 . 1 1 51 51 ASP H H 1 8.35 0.02 . 1 . . . . . . . . 4860 1 399 . 1 1 51 51 ASP CA C 13 52.4 0.2 . 1 . . . . . . . . 4860 1 400 . 1 1 51 51 ASP HA H 1 4.82 0.02 . 1 . . . . . . . . 4860 1 401 . 1 1 51 51 ASP CB C 13 41.5 0.2 . 1 . . . . . . . . 4860 1 402 . 1 1 51 51 ASP HB2 H 1 2.76 0.02 . 2 . . . . . . . . 4860 1 403 . 1 1 51 51 ASP HB3 H 1 2.50 0.02 . 2 . . . . . . . . 4860 1 404 . 1 1 52 52 PRO CD C 13 51.0 0.2 . 1 . . . . . . . . 4860 1 405 . 1 1 52 52 PRO CA C 13 63.6 0.2 . 1 . . . . . . . . 4860 1 406 . 1 1 52 52 PRO HA H 1 4.37 0.02 . 1 . . . . . . . . 4860 1 407 . 1 1 52 52 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 4860 1 408 . 1 1 52 52 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4860 1 409 . 1 1 52 52 PRO HB3 H 1 1.88 0.02 . 2 . . . . . . . . 4860 1 410 . 1 1 52 52 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4860 1 411 . 1 1 52 52 PRO HG2 H 1 1.94 0.02 . 2 . . . . . . . . 4860 1 412 . 1 1 52 52 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 4860 1 413 . 1 1 53 53 LEU N N 15 120.8 0.1 . 1 . . . . . . . . 4860 1 414 . 1 1 53 53 LEU H H 1 8.36 0.02 . 1 . . . . . . . . 4860 1 415 . 1 1 53 53 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4860 1 416 . 1 1 53 53 LEU HA H 1 4.28 0.02 . 1 . . . . . . . . 4860 1 417 . 1 1 53 53 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 4860 1 418 . 1 1 53 53 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4860 1 419 . 1 1 53 53 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4860 1 420 . 1 1 53 53 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 4860 1 421 . 1 1 53 53 LEU HG H 1 1.56 0.02 . 1 . . . . . . . . 4860 1 422 . 1 1 53 53 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 4860 1 423 . 1 1 53 53 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 424 . 1 1 53 53 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 425 . 1 1 53 53 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 426 . 1 1 53 53 LEU CD2 C 13 23.4 0.2 . 1 . . . . . . . . 4860 1 427 . 1 1 53 53 LEU HD21 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 428 . 1 1 53 53 LEU HD22 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 429 . 1 1 53 53 LEU HD23 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 430 . 1 1 53 53 LEU C C 13 177.7 0.2 . 1 . . . . . . . . 4860 1 431 . 1 1 54 54 VAL N N 15 121.0 0.1 . 1 . . . . . . . . 4860 1 432 . 1 1 54 54 VAL H H 1 7.82 0.02 . 1 . . . . . . . . 4860 1 433 . 1 1 54 54 VAL CA C 13 62.4 0.2 . 1 . . . . . . . . 4860 1 434 . 1 1 54 54 VAL HA H 1 4.10 0.02 . 1 . . . . . . . . 4860 1 435 . 1 1 54 54 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 4860 1 436 . 1 1 54 54 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 4860 1 437 . 1 1 54 54 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 4860 1 438 . 1 1 54 54 VAL HG11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 439 . 1 1 54 54 VAL HG12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 440 . 1 1 54 54 VAL HG13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 441 . 1 1 54 54 VAL CG2 C 13 21.0 0.2 . 1 . . . . . . . . 4860 1 442 . 1 1 54 54 VAL HG21 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 443 . 1 1 54 54 VAL HG22 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 444 . 1 1 54 54 VAL HG23 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 445 . 1 1 54 54 VAL C C 13 176.0 0.2 . 1 . . . . . . . . 4860 1 446 . 1 1 55 55 THR N N 15 118.1 0.1 . 1 . . . . . . . . 4860 1 447 . 1 1 55 55 THR H H 1 8.06 0.02 . 1 . . . . . . . . 4860 1 448 . 1 1 55 55 THR CA C 13 61.6 0.2 . 1 . . . . . . . . 4860 1 449 . 1 1 55 55 THR HA H 1 4.30 0.02 . 1 . . . . . . . . 4860 1 450 . 1 1 55 55 THR CB C 13 70.0 0.2 . 1 . . . . . . . . 4860 1 451 . 1 1 55 55 THR HB H 1 4.10 0.02 . 1 . . . . . . . . 4860 1 452 . 1 1 55 55 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 4860 1 453 . 1 1 55 55 THR HG21 H 1 1.10 0.02 . 1 . . . . . . . . 4860 1 454 . 1 1 55 55 THR HG22 H 1 1.10 0.02 . 1 . . . . . . . . 4860 1 455 . 1 1 55 55 THR HG23 H 1 1.10 0.02 . 1 . . . . . . . . 4860 1 456 . 1 1 55 55 THR C C 13 174.1 0.2 . 1 . . . . . . . . 4860 1 457 . 1 1 56 56 TYR N N 15 123.1 0.1 . 1 . . . . . . . . 4860 1 458 . 1 1 56 56 TYR H H 1 8.24 0.02 . 1 . . . . . . . . 4860 1 459 . 1 1 56 56 TYR CA C 13 58.0 0.2 . 1 . . . . . . . . 4860 1 460 . 1 1 56 56 TYR HA H 1 4.56 0.02 . 1 . . . . . . . . 4860 1 461 . 1 1 56 56 TYR CB C 13 39.1 0.2 . 1 . . . . . . . . 4860 1 462 . 1 1 56 56 TYR HB2 H 1 3.01 0.02 . 2 . . . . . . . . 4860 1 463 . 1 1 56 56 TYR HB3 H 1 2.91 0.02 . 2 . . . . . . . . 4860 1 464 . 1 1 56 56 TYR C C 13 175.9 0.2 . 1 . . . . . . . . 4860 1 465 . 1 1 57 57 GLU N N 15 123.7 0.1 . 1 . . . . . . . . 4860 1 466 . 1 1 57 57 GLU H H 1 8.43 0.02 . 1 . . . . . . . . 4860 1 467 . 1 1 57 57 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4860 1 468 . 1 1 57 57 GLU HA H 1 4.23 0.02 . 1 . . . . . . . . 4860 1 469 . 1 1 57 57 GLU CB C 13 30.4 0.2 . 1 . . . . . . . . 4860 1 470 . 1 1 57 57 GLU HB2 H 1 1.86 0.02 . 2 . . . . . . . . 4860 1 471 . 1 1 57 57 GLU HB3 H 1 2.01 0.02 . 2 . . . . . . . . 4860 1 472 . 1 1 57 57 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 4860 1 473 . 1 1 57 57 GLU HG2 H 1 2.19 0.02 . 2 . . . . . . . . 4860 1 474 . 1 1 57 57 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 4860 1 475 . 1 1 58 58 GLY N N 15 110.1 0.1 . 1 . . . . . . . . 4860 1 476 . 1 1 58 58 GLY H H 1 8.05 0.02 . 1 . . . . . . . . 4860 1 477 . 1 1 58 58 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4860 1 478 . 1 1 58 58 GLY HA3 H 1 3.91 0.02 . 2 . . . . . . . . 4860 1 479 . 1 1 58 58 GLY C C 13 174.2 0.2 . 1 . . . . . . . . 4860 1 480 . 1 1 59 59 SER N N 15 115.1 0.1 . 1 . . . . . . . . 4860 1 481 . 1 1 59 59 SER H H 1 8.14 0.02 . 1 . . . . . . . . 4860 1 482 . 1 1 59 59 SER CA C 13 58.4 0.2 . 1 . . . . . . . . 4860 1 483 . 1 1 59 59 SER HA H 1 4.43 0.02 . 1 . . . . . . . . 4860 1 484 . 1 1 59 59 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 4860 1 485 . 1 1 59 59 SER HB2 H 1 3.80 0.02 . 2 . . . . . . . . 4860 1 486 . 1 1 59 59 SER C C 13 174.1 0.2 . 1 . . . . . . . . 4860 1 487 . 1 1 60 60 ASN N N 15 121.3 0.1 . 1 . . . . . . . . 4860 1 488 . 1 1 60 60 ASN H H 1 8.43 0.02 . 1 . . . . . . . . 4860 1 489 . 1 1 60 60 ASN CA C 13 51.7 0.2 . 1 . . . . . . . . 4860 1 490 . 1 1 60 60 ASN HA H 1 4.98 0.02 . 1 . . . . . . . . 4860 1 491 . 1 1 60 60 ASN CB C 13 39.0 0.2 . 1 . . . . . . . . 4860 1 492 . 1 1 60 60 ASN HB2 H 1 2.58 0.02 . 2 . . . . . . . . 4860 1 493 . 1 1 60 60 ASN HB3 H 1 2.71 0.02 . 2 . . . . . . . . 4860 1 494 . 1 1 60 60 ASN ND2 N 15 113.6 0.1 . 1 . . . . . . . . 4860 1 495 . 1 1 60 60 ASN HD21 H 1 7.54 0.02 . 2 . . . . . . . . 4860 1 496 . 1 1 60 60 ASN HD22 H 1 6.87 0.02 . 2 . . . . . . . . 4860 1 497 . 1 1 62 62 PRO CD C 13 50.5 0.2 . 1 . . . . . . . . 4860 1 498 . 1 1 62 62 PRO CA C 13 62.8 0.2 . 1 . . . . . . . . 4860 1 499 . 1 1 62 62 PRO HA H 1 4.35 0.02 . 1 . . . . . . . . 4860 1 500 . 1 1 62 62 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 4860 1 501 . 1 1 62 62 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4860 1 502 . 1 1 62 62 PRO CG C 13 27.3 0.2 . 1 . . . . . . . . 4860 1 503 . 1 1 62 62 PRO HG2 H 1 1.96 0.02 . 2 . . . . . . . . 4860 1 504 . 1 1 62 62 PRO HG3 H 1 1.85 0.02 . 2 . . . . . . . . 4860 1 505 . 1 1 62 62 PRO C C 13 176.7 0.2 . 1 . . . . . . . . 4860 1 506 . 1 1 63 63 ALA N N 15 124.5 0.1 . 1 . . . . . . . . 4860 1 507 . 1 1 63 63 ALA H H 1 8.35 0.02 . 1 . . . . . . . . 4860 1 508 . 1 1 63 63 ALA CA C 13 52.4 0.2 . 1 . . . . . . . . 4860 1 509 . 1 1 63 63 ALA HA H 1 4.27 0.02 . 1 . . . . . . . . 4860 1 510 . 1 1 63 63 ALA CB C 13 19.5 0.2 . 1 . . . . . . . . 4860 1 511 . 1 1 63 63 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 4860 1 512 . 1 1 63 63 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 4860 1 513 . 1 1 63 63 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 4860 1 514 . 1 1 63 63 ALA C C 13 177.8 0.2 . 1 . . . . . . . . 4860 1 515 . 1 1 64 64 SER N N 15 116.6 0.1 . 1 . . . . . . . . 4860 1 516 . 1 1 64 64 SER H H 1 8.27 0.02 . 1 . . . . . . . . 4860 1 517 . 1 1 64 64 SER CA C 13 56.4 0.2 . 1 . . . . . . . . 4860 1 518 . 1 1 64 64 SER HA H 1 3.70 0.02 . 1 . . . . . . . . 4860 1 519 . 1 1 64 64 SER CB C 13 63.6 0.2 . 1 . . . . . . . . 4860 1 520 . 1 1 65 65 PRO CD C 13 50.9 0.2 . 1 . . . . . . . . 4860 1 521 . 1 1 65 65 PRO CA C 13 63.3 0.2 . 1 . . . . . . . . 4860 1 522 . 1 1 65 65 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4860 1 523 . 1 1 65 65 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 4860 1 524 . 1 1 65 65 PRO HB2 H 1 2.23 0.02 . 2 . . . . . . . . 4860 1 525 . 1 1 65 65 PRO HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4860 1 526 . 1 1 65 65 PRO CG C 13 27.4 0.2 . 1 . . . . . . . . 4860 1 527 . 1 1 65 65 PRO HG2 H 1 1.96 0.02 . 2 . . . . . . . . 4860 1 528 . 1 1 65 65 PRO HG3 H 1 1.85 0.02 . 2 . . . . . . . . 4860 1 529 . 1 1 65 65 PRO C C 13 177.1 0.2 . 1 . . . . . . . . 4860 1 530 . 1 1 66 66 LEU N N 15 122.0 0.1 . 1 . . . . . . . . 4860 1 531 . 1 1 66 66 LEU H H 1 8.23 0.02 . 1 . . . . . . . . 4860 1 532 . 1 1 66 66 LEU CA C 13 55.5 0.2 . 1 . . . . . . . . 4860 1 533 . 1 1 66 66 LEU HA H 1 4.27 0.02 . 1 . . . . . . . . 4860 1 534 . 1 1 66 66 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 4860 1 535 . 1 1 66 66 LEU HB2 H 1 1.68 0.02 . 2 . . . . . . . . 4860 1 536 . 1 1 66 66 LEU HB3 H 1 1.54 0.02 . 2 . . . . . . . . 4860 1 537 . 1 1 66 66 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4860 1 538 . 1 1 66 66 LEU HG H 1 1.55 0.02 . 1 . . . . . . . . 4860 1 539 . 1 1 66 66 LEU CD1 C 13 25.1 0.2 . 1 . . . . . . . . 4860 1 540 . 1 1 66 66 LEU HD11 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 541 . 1 1 66 66 LEU HD12 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 542 . 1 1 66 66 LEU HD13 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 543 . 1 1 66 66 LEU CD2 C 13 23.7 0.2 . 1 . . . . . . . . 4860 1 544 . 1 1 66 66 LEU HD21 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 545 . 1 1 66 66 LEU HD22 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 546 . 1 1 66 66 LEU HD23 H 1 0.87 0.02 . 1 . . . . . . . . 4860 1 547 . 1 1 66 66 LEU C C 13 177.6 0.2 . 1 . . . . . . . . 4860 1 548 . 1 1 67 67 GLN N N 15 120.9 0.1 . 1 . . . . . . . . 4860 1 549 . 1 1 67 67 GLN H H 1 8.24 0.02 . 1 . . . . . . . . 4860 1 550 . 1 1 67 67 GLN CA C 13 55.8 0.2 . 1 . . . . . . . . 4860 1 551 . 1 1 67 67 GLN HA H 1 4.31 0.02 . 1 . . . . . . . . 4860 1 552 . 1 1 67 67 GLN CB C 13 29.8 0.2 . 1 . . . . . . . . 4860 1 553 . 1 1 67 67 GLN HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4860 1 554 . 1 1 67 67 GLN HB3 H 1 1.94 0.02 . 2 . . . . . . . . 4860 1 555 . 1 1 67 67 GLN CG C 13 33.9 0.2 . 1 . . . . . . . . 4860 1 556 . 1 1 67 67 GLN HG2 H 1 2.30 0.02 . 2 . . . . . . . . 4860 1 557 . 1 1 67 67 GLN HG3 H 1 2.17 0.02 . 2 . . . . . . . . 4860 1 558 . 1 1 67 67 GLN C C 13 175.7 0.2 . 1 . . . . . . . . 4860 1 559 . 1 1 68 68 ASP N N 15 122.0 0.1 . 1 . . . . . . . . 4860 1 560 . 1 1 68 68 ASP H H 1 8.30 0.02 . 1 . . . . . . . . 4860 1 561 . 1 1 68 68 ASP CA C 13 54.3 0.2 . 1 . . . . . . . . 4860 1 562 . 1 1 68 68 ASP HA H 1 4.53 0.02 . 1 . . . . . . . . 4860 1 563 . 1 1 68 68 ASP CB C 13 41.6 0.2 . 1 . . . . . . . . 4860 1 564 . 1 1 68 68 ASP HB2 H 1 2.58 0.02 . 2 . . . . . . . . 4860 1 565 . 1 1 68 68 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 4860 1 566 . 1 1 69 69 ASN N N 15 119.9 0.1 . 1 . . . . . . . . 4860 1 567 . 1 1 69 69 ASN H H 1 8.52 0.02 . 1 . . . . . . . . 4860 1 568 . 1 1 69 69 ASN CA C 13 52.7 0.2 . 1 . . . . . . . . 4860 1 569 . 1 1 69 69 ASN HA H 1 4.68 0.02 . 1 . . . . . . . . 4860 1 570 . 1 1 69 69 ASN CB C 13 38.1 0.2 . 1 . . . . . . . . 4860 1 571 . 1 1 69 69 ASN HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4860 1 572 . 1 1 69 69 ASN HB3 H 1 2.82 0.02 . 2 . . . . . . . . 4860 1 573 . 1 1 69 69 ASN ND2 N 15 110.3 0.1 . 1 . . . . . . . . 4860 1 574 . 1 1 69 69 ASN HD21 H 1 7.33 0.02 . 2 . . . . . . . . 4860 1 575 . 1 1 69 69 ASN HD22 H 1 6.62 0.02 . 2 . . . . . . . . 4860 1 576 . 1 1 69 69 ASN C C 13 173.8 0.2 . 1 . . . . . . . . 4860 1 577 . 1 1 70 70 LEU N N 15 121.7 0.1 . 1 . . . . . . . . 4860 1 578 . 1 1 70 70 LEU H H 1 7.90 0.02 . 1 . . . . . . . . 4860 1 579 . 1 1 70 70 LEU CA C 13 54.3 0.2 . 1 . . . . . . . . 4860 1 580 . 1 1 70 70 LEU HA H 1 5.20 0.02 . 1 . . . . . . . . 4860 1 581 . 1 1 70 70 LEU CB C 13 43.9 0.2 . 1 . . . . . . . . 4860 1 582 . 1 1 70 70 LEU HB2 H 1 1.67 0.02 . 2 . . . . . . . . 4860 1 583 . 1 1 70 70 LEU HB3 H 1 1.40 0.02 . 2 . . . . . . . . 4860 1 584 . 1 1 70 70 LEU CG C 13 27.2 0.2 . 1 . . . . . . . . 4860 1 585 . 1 1 70 70 LEU HG H 1 1.44 0.02 . 1 . . . . . . . . 4860 1 586 . 1 1 70 70 LEU CD1 C 13 25.2 0.2 . 1 . . . . . . . . 4860 1 587 . 1 1 70 70 LEU HD11 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 588 . 1 1 70 70 LEU HD12 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 589 . 1 1 70 70 LEU HD13 H 1 0.85 0.02 . 1 . . . . . . . . 4860 1 590 . 1 1 70 70 LEU CD2 C 13 24.1 0.2 . 1 . . . . . . . . 4860 1 591 . 1 1 70 70 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 592 . 1 1 70 70 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 593 . 1 1 70 70 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 594 . 1 1 70 70 LEU C C 13 177.9 0.2 . 1 . . . . . . . . 4860 1 595 . 1 1 71 71 VAL N N 15 116.2 0.1 . 1 . . . . . . . . 4860 1 596 . 1 1 71 71 VAL H H 1 9.06 0.02 . 1 . . . . . . . . 4860 1 597 . 1 1 71 71 VAL CA C 13 58.8 0.2 . 1 . . . . . . . . 4860 1 598 . 1 1 71 71 VAL HA H 1 4.94 0.02 . 1 . . . . . . . . 4860 1 599 . 1 1 71 71 VAL CB C 13 36.5 0.2 . 1 . . . . . . . . 4860 1 600 . 1 1 71 71 VAL HB H 1 2.01 0.02 . 1 . . . . . . . . 4860 1 601 . 1 1 71 71 VAL CG1 C 13 21.8 0.2 . 1 . . . . . . . . 4860 1 602 . 1 1 71 71 VAL HG11 H 1 0.79 0.02 . 1 . . . . . . . . 4860 1 603 . 1 1 71 71 VAL HG12 H 1 0.79 0.02 . 1 . . . . . . . . 4860 1 604 . 1 1 71 71 VAL HG13 H 1 0.79 0.02 . 1 . . . . . . . . 4860 1 605 . 1 1 71 71 VAL CG2 C 13 19.4 0.2 . 1 . . . . . . . . 4860 1 606 . 1 1 71 71 VAL HG21 H 1 0.60 0.02 . 1 . . . . . . . . 4860 1 607 . 1 1 71 71 VAL HG22 H 1 0.60 0.02 . 1 . . . . . . . . 4860 1 608 . 1 1 71 71 VAL HG23 H 1 0.60 0.02 . 1 . . . . . . . . 4860 1 609 . 1 1 71 71 VAL C C 13 173.7 0.2 . 1 . . . . . . . . 4860 1 610 . 1 1 72 72 ILE N N 15 118.6 0.1 . 1 . . . . . . . . 4860 1 611 . 1 1 72 72 ILE H H 1 8.97 0.02 . 1 . . . . . . . . 4860 1 612 . 1 1 72 72 ILE CA C 13 58.4 0.2 . 1 . . . . . . . . 4860 1 613 . 1 1 72 72 ILE HA H 1 4.91 0.02 . 1 . . . . . . . . 4860 1 614 . 1 1 72 72 ILE CB C 13 41.5 0.2 . 1 . . . . . . . . 4860 1 615 . 1 1 72 72 ILE HB H 1 1.56 0.02 . 1 . . . . . . . . 4860 1 616 . 1 1 72 72 ILE CG2 C 13 17.1 0.2 . 1 . . . . . . . . 4860 1 617 . 1 1 72 72 ILE HG21 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 618 . 1 1 72 72 ILE HG22 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 619 . 1 1 72 72 ILE HG23 H 1 0.77 0.02 . 1 . . . . . . . . 4860 1 620 . 1 1 72 72 ILE CG1 C 13 28.2 0.2 . 1 . . . . . . . . 4860 1 621 . 1 1 72 72 ILE HG12 H 1 1.03 0.02 . 2 . . . . . . . . 4860 1 622 . 1 1 72 72 ILE HG13 H 1 1.35 0.02 . 2 . . . . . . . . 4860 1 623 . 1 1 72 72 ILE CD1 C 13 13.3 0.2 . 1 . . . . . . . . 4860 1 624 . 1 1 72 72 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 625 . 1 1 72 72 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 626 . 1 1 72 72 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4860 1 627 . 1 1 72 72 ILE C C 13 175.8 0.2 . 1 . . . . . . . . 4860 1 628 . 1 1 73 73 ALA N N 15 126.5 0.1 . 1 . . . . . . . . 4860 1 629 . 1 1 73 73 ALA H H 1 8.56 0.02 . 1 . . . . . . . . 4860 1 630 . 1 1 73 73 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 4860 1 631 . 1 1 73 73 ALA HA H 1 4.55 0.02 . 1 . . . . . . . . 4860 1 632 . 1 1 73 73 ALA CB C 13 21.2 0.2 . 1 . . . . . . . . 4860 1 633 . 1 1 73 73 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 4860 1 634 . 1 1 73 73 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 4860 1 635 . 1 1 73 73 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 4860 1 636 . 1 1 73 73 ALA C C 13 179.5 0.2 . 1 . . . . . . . . 4860 1 637 . 1 1 74 74 LEU N N 15 126.9 0.1 . 1 . . . . . . . . 4860 1 638 . 1 1 74 74 LEU H H 1 9.45 0.02 . 1 . . . . . . . . 4860 1 639 . 1 1 74 74 LEU CA C 13 55.7 0.2 . 1 . . . . . . . . 4860 1 640 . 1 1 74 74 LEU HA H 1 4.03 0.02 . 1 . . . . . . . . 4860 1 641 . 1 1 74 74 LEU CB C 13 43.4 0.2 . 1 . . . . . . . . 4860 1 642 . 1 1 74 74 LEU HB2 H 1 1.23 0.02 . 2 . . . . . . . . 4860 1 643 . 1 1 74 74 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 4860 1 644 . 1 1 74 74 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 4860 1 645 . 1 1 74 74 LEU HG H 1 1.33 0.02 . 1 . . . . . . . . 4860 1 646 . 1 1 74 74 LEU CD1 C 13 25.4 0.2 . 1 . . . . . . . . 4860 1 647 . 1 1 74 74 LEU HD11 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 648 . 1 1 74 74 LEU HD12 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 649 . 1 1 74 74 LEU HD13 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 650 . 1 1 74 74 LEU CD2 C 13 22.1 0.2 . 1 . . . . . . . . 4860 1 651 . 1 1 74 74 LEU HD21 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 652 . 1 1 74 74 LEU HD22 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 653 . 1 1 74 74 LEU HD23 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 654 . 1 1 74 74 LEU C C 13 175.6 0.2 . 1 . . . . . . . . 4860 1 655 . 1 1 75 75 HIS N N 15 112.9 0.1 . 1 . . . . . . . . 4860 1 656 . 1 1 75 75 HIS H H 1 7.47 0.02 . 1 . . . . . . . . 4860 1 657 . 1 1 75 75 HIS CA C 13 53.4 0.2 . 1 . . . . . . . . 4860 1 658 . 1 1 75 75 HIS HA H 1 4.56 0.02 . 1 . . . . . . . . 4860 1 659 . 1 1 75 75 HIS CB C 13 33.9 0.2 . 1 . . . . . . . . 4860 1 660 . 1 1 75 75 HIS HB2 H 1 2.47 0.02 . 2 . . . . . . . . 4860 1 661 . 1 1 75 75 HIS HB3 H 1 2.93 0.02 . 2 . . . . . . . . 4860 1 662 . 1 1 75 75 HIS C C 13 173.3 0.2 . 1 . . . . . . . . 4860 1 663 . 1 1 76 76 SER N N 15 116.2 0.1 . 1 . . . . . . . . 4860 1 664 . 1 1 76 76 SER H H 1 8.75 0.02 . 1 . . . . . . . . 4860 1 665 . 1 1 76 76 SER CA C 13 58.6 0.2 . 1 . . . . . . . . 4860 1 666 . 1 1 76 76 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 4860 1 667 . 1 1 76 76 SER CB C 13 64.0 0.2 . 1 . . . . . . . . 4860 1 668 . 1 1 76 76 SER HB2 H 1 4.09 0.02 . 2 . . . . . . . . 4860 1 669 . 1 1 76 76 SER HB3 H 1 3.91 0.02 . 2 . . . . . . . . 4860 1 670 . 1 1 76 76 SER C C 13 173.2 0.2 . 1 . . . . . . . . 4860 1 671 . 1 1 77 77 TYR N N 15 123.3 0.1 . 1 . . . . . . . . 4860 1 672 . 1 1 77 77 TYR H H 1 8.50 0.02 . 1 . . . . . . . . 4860 1 673 . 1 1 77 77 TYR CA C 13 57.6 0.2 . 1 . . . . . . . . 4860 1 674 . 1 1 77 77 TYR HA H 1 4.64 0.02 . 1 . . . . . . . . 4860 1 675 . 1 1 77 77 TYR CB C 13 42.4 0.2 . 1 . . . . . . . . 4860 1 676 . 1 1 77 77 TYR HB2 H 1 1.04 0.02 . 2 . . . . . . . . 4860 1 677 . 1 1 77 77 TYR HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4860 1 678 . 1 1 77 77 TYR C C 13 173.7 0.2 . 1 . . . . . . . . 4860 1 679 . 1 1 78 78 GLU N N 15 129.3 0.1 . 1 . . . . . . . . 4860 1 680 . 1 1 78 78 GLU H H 1 7.61 0.02 . 1 . . . . . . . . 4860 1 681 . 1 1 78 78 GLU CA C 13 52.0 0.2 . 1 . . . . . . . . 4860 1 682 . 1 1 78 78 GLU HA H 1 4.51 0.02 . 1 . . . . . . . . 4860 1 683 . 1 1 78 78 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4860 1 684 . 1 1 78 78 GLU HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4860 1 685 . 1 1 78 78 GLU HB3 H 1 1.63 0.02 . 2 . . . . . . . . 4860 1 686 . 1 1 78 78 GLU CG C 13 35.9 0.2 . 1 . . . . . . . . 4860 1 687 . 1 1 78 78 GLU HG2 H 1 2.05 0.02 . 2 . . . . . . . . 4860 1 688 . 1 1 79 79 PRO CD C 13 50.4 0.2 . 1 . . . . . . . . 4860 1 689 . 1 1 79 79 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4860 1 690 . 1 1 79 79 PRO HA H 1 3.97 0.02 . 1 . . . . . . . . 4860 1 691 . 1 1 79 79 PRO CB C 13 33.2 0.2 . 1 . . . . . . . . 4860 1 692 . 1 1 79 79 PRO HB2 H 1 1.99 0.02 . 2 . . . . . . . . 4860 1 693 . 1 1 79 79 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 4860 1 694 . 1 1 79 79 PRO HG2 H 1 1.80 0.02 . 2 . . . . . . . . 4860 1 695 . 1 1 79 79 PRO HD2 H 1 3.53 0.02 . 2 . . . . . . . . 4860 1 696 . 1 1 79 79 PRO C C 13 177.0 0.2 . 1 . . . . . . . . 4860 1 697 . 1 1 80 80 SER N N 15 116.6 0.1 . 1 . . . . . . . . 4860 1 698 . 1 1 80 80 SER H H 1 8.62 0.02 . 1 . . . . . . . . 4860 1 699 . 1 1 80 80 SER CA C 13 58.5 0.2 . 1 . . . . . . . . 4860 1 700 . 1 1 80 80 SER HA H 1 4.39 0.02 . 1 . . . . . . . . 4860 1 701 . 1 1 80 80 SER CB C 13 64.7 0.2 . 1 . . . . . . . . 4860 1 702 . 1 1 80 80 SER HB2 H 1 3.57 0.02 . 2 . . . . . . . . 4860 1 703 . 1 1 80 80 SER HB3 H 1 3.69 0.02 . 2 . . . . . . . . 4860 1 704 . 1 1 80 80 SER C C 13 173.4 0.2 . 1 . . . . . . . . 4860 1 705 . 1 1 81 81 HIS N N 15 118.7 0.1 . 1 . . . . . . . . 4860 1 706 . 1 1 81 81 HIS H H 1 7.79 0.02 . 1 . . . . . . . . 4860 1 707 . 1 1 81 81 HIS CA C 13 53.8 0.2 . 1 . . . . . . . . 4860 1 708 . 1 1 81 81 HIS HA H 1 4.72 0.02 . 1 . . . . . . . . 4860 1 709 . 1 1 81 81 HIS CB C 13 30.5 0.2 . 1 . . . . . . . . 4860 1 710 . 1 1 81 81 HIS HB2 H 1 2.83 0.02 . 2 . . . . . . . . 4860 1 711 . 1 1 81 81 HIS HB3 H 1 3.13 0.02 . 2 . . . . . . . . 4860 1 712 . 1 1 81 81 HIS C C 13 174.7 0.2 . 1 . . . . . . . . 4860 1 713 . 1 1 82 82 ASP N N 15 124.1 0.1 . 1 . . . . . . . . 4860 1 714 . 1 1 82 82 ASP H H 1 8.76 0.02 . 1 . . . . . . . . 4860 1 715 . 1 1 82 82 ASP CA C 13 56.4 0.2 . 1 . . . . . . . . 4860 1 716 . 1 1 82 82 ASP HA H 1 4.41 0.02 . 1 . . . . . . . . 4860 1 717 . 1 1 82 82 ASP CB C 13 40.5 0.2 . 1 . . . . . . . . 4860 1 718 . 1 1 82 82 ASP HB2 H 1 2.56 0.02 . 2 . . . . . . . . 4860 1 719 . 1 1 82 82 ASP HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4860 1 720 . 1 1 82 82 ASP C C 13 177.4 0.2 . 1 . . . . . . . . 4860 1 721 . 1 1 83 83 GLY N N 15 113.1 0.1 . 1 . . . . . . . . 4860 1 722 . 1 1 83 83 GLY H H 1 8.91 0.02 . 1 . . . . . . . . 4860 1 723 . 1 1 83 83 GLY CA C 13 45.4 0.2 . 1 . . . . . . . . 4860 1 724 . 1 1 83 83 GLY HA3 H 1 4.38 0.02 . 2 . . . . . . . . 4860 1 725 . 1 1 83 83 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4860 1 726 . 1 1 83 83 GLY C C 13 175.2 0.2 . 1 . . . . . . . . 4860 1 727 . 1 1 84 84 ASP N N 15 122.3 0.1 . 1 . . . . . . . . 4860 1 728 . 1 1 84 84 ASP H H 1 8.00 0.02 . 1 . . . . . . . . 4860 1 729 . 1 1 84 84 ASP CA C 13 54.6 0.2 . 1 . . . . . . . . 4860 1 730 . 1 1 84 84 ASP HA H 1 5.34 0.02 . 1 . . . . . . . . 4860 1 731 . 1 1 84 84 ASP CB C 13 43.1 0.2 . 1 . . . . . . . . 4860 1 732 . 1 1 84 84 ASP HB2 H 1 2.92 0.02 . 2 . . . . . . . . 4860 1 733 . 1 1 84 84 ASP HB3 H 1 3.00 0.02 . 2 . . . . . . . . 4860 1 734 . 1 1 84 84 ASP C C 13 175.8 0.2 . 1 . . . . . . . . 4860 1 735 . 1 1 85 85 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 4860 1 736 . 1 1 85 85 LEU H H 1 9.11 0.02 . 1 . . . . . . . . 4860 1 737 . 1 1 85 85 LEU CA C 13 54.1 0.2 . 1 . . . . . . . . 4860 1 738 . 1 1 85 85 LEU HA H 1 4.54 0.02 . 1 . . . . . . . . 4860 1 739 . 1 1 85 85 LEU CB C 13 44.8 0.2 . 1 . . . . . . . . 4860 1 740 . 1 1 85 85 LEU HB2 H 1 1.76 0.02 . 2 . . . . . . . . 4860 1 741 . 1 1 85 85 LEU HB3 H 1 0.74 0.02 . 2 . . . . . . . . 4860 1 742 . 1 1 85 85 LEU CG C 13 26.8 0.2 . 1 . . . . . . . . 4860 1 743 . 1 1 85 85 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4860 1 744 . 1 1 85 85 LEU CD1 C 13 24.5 0.2 . 1 . . . . . . . . 4860 1 745 . 1 1 85 85 LEU HD11 H 1 0.80 0.02 . 1 . . . . . . . . 4860 1 746 . 1 1 85 85 LEU HD12 H 1 0.80 0.02 . 1 . . . . . . . . 4860 1 747 . 1 1 85 85 LEU HD13 H 1 0.80 0.02 . 1 . . . . . . . . 4860 1 748 . 1 1 85 85 LEU CD2 C 13 26.6 0.2 . 1 . . . . . . . . 4860 1 749 . 1 1 85 85 LEU HD21 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 750 . 1 1 85 85 LEU HD22 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 751 . 1 1 85 85 LEU HD23 H 1 0.66 0.02 . 1 . . . . . . . . 4860 1 752 . 1 1 85 85 LEU C C 13 174.7 0.2 . 1 . . . . . . . . 4860 1 753 . 1 1 86 86 GLY N N 15 109.7 0.1 . 1 . . . . . . . . 4860 1 754 . 1 1 86 86 GLY H H 1 8.19 0.02 . 1 . . . . . . . . 4860 1 755 . 1 1 86 86 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 4860 1 756 . 1 1 86 86 GLY HA3 H 1 4.37 0.02 . 2 . . . . . . . . 4860 1 757 . 1 1 86 86 GLY HA2 H 1 3.57 0.02 . 2 . . . . . . . . 4860 1 758 . 1 1 86 86 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 4860 1 759 . 1 1 87 87 PHE N N 15 113.9 0.1 . 1 . . . . . . . . 4860 1 760 . 1 1 87 87 PHE H H 1 7.89 0.02 . 1 . . . . . . . . 4860 1 761 . 1 1 87 87 PHE CA C 13 56.3 0.2 . 1 . . . . . . . . 4860 1 762 . 1 1 87 87 PHE HA H 1 5.02 0.02 . 1 . . . . . . . . 4860 1 763 . 1 1 87 87 PHE CB C 13 40.3 0.2 . 1 . . . . . . . . 4860 1 764 . 1 1 87 87 PHE HB2 H 1 2.90 0.02 . 2 . . . . . . . . 4860 1 765 . 1 1 87 87 PHE HB3 H 1 3.28 0.02 . 2 . . . . . . . . 4860 1 766 . 1 1 87 87 PHE C C 13 174.2 0.2 . 1 . . . . . . . . 4860 1 767 . 1 1 88 88 GLU N N 15 120.0 0.1 . 1 . . . . . . . . 4860 1 768 . 1 1 88 88 GLU H H 1 9.00 0.02 . 1 . . . . . . . . 4860 1 769 . 1 1 88 88 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 4860 1 770 . 1 1 88 88 GLU HA H 1 4.76 0.02 . 1 . . . . . . . . 4860 1 771 . 1 1 88 88 GLU CB C 13 32.9 0.2 . 1 . . . . . . . . 4860 1 772 . 1 1 88 88 GLU HB2 H 1 1.94 0.02 . 2 . . . . . . . . 4860 1 773 . 1 1 88 88 GLU HB3 H 1 2.11 0.02 . 2 . . . . . . . . 4860 1 774 . 1 1 88 88 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 4860 1 775 . 1 1 88 88 GLU HG2 H 1 2.33 0.02 . 2 . . . . . . . . 4860 1 776 . 1 1 88 88 GLU C C 13 176.0 0.2 . 1 . . . . . . . . 4860 1 777 . 1 1 89 89 LYS N N 15 122.5 0.1 . 1 . . . . . . . . 4860 1 778 . 1 1 89 89 LYS H H 1 8.35 0.02 . 1 . . . . . . . . 4860 1 779 . 1 1 89 89 LYS CA C 13 59.1 0.2 . 1 . . . . . . . . 4860 1 780 . 1 1 89 89 LYS HA H 1 3.36 0.02 . 1 . . . . . . . . 4860 1 781 . 1 1 89 89 LYS CB C 13 32.7 0.2 . 1 . . . . . . . . 4860 1 782 . 1 1 89 89 LYS HB2 H 1 1.64 0.02 . 2 . . . . . . . . 4860 1 783 . 1 1 89 89 LYS HB3 H 1 1.70 0.02 . 2 . . . . . . . . 4860 1 784 . 1 1 89 89 LYS CG C 13 24.8 0.2 . 1 . . . . . . . . 4860 1 785 . 1 1 89 89 LYS HG2 H 1 1.18 0.02 . 2 . . . . . . . . 4860 1 786 . 1 1 89 89 LYS HG3 H 1 1.07 0.02 . 2 . . . . . . . . 4860 1 787 . 1 1 89 89 LYS CD C 13 29.7 0.2 . 1 . . . . . . . . 4860 1 788 . 1 1 89 89 LYS HD2 H 1 1.65 0.02 . 2 . . . . . . . . 4860 1 789 . 1 1 89 89 LYS HD3 H 1 1.62 0.02 . 2 . . . . . . . . 4860 1 790 . 1 1 89 89 LYS CE C 13 42.3 0.2 . 1 . . . . . . . . 4860 1 791 . 1 1 89 89 LYS HE2 H 1 2.96 0.02 . 2 . . . . . . . . 4860 1 792 . 1 1 89 89 LYS C C 13 177.4 0.2 . 1 . . . . . . . . 4860 1 793 . 1 1 90 90 GLY N N 15 115.6 0.1 . 1 . . . . . . . . 4860 1 794 . 1 1 90 90 GLY H H 1 8.85 0.02 . 1 . . . . . . . . 4860 1 795 . 1 1 90 90 GLY CA C 13 45.1 0.2 . 1 . . . . . . . . 4860 1 796 . 1 1 90 90 GLY HA3 H 1 3.49 0.02 . 2 . . . . . . . . 4860 1 797 . 1 1 90 90 GLY HA2 H 1 4.37 0.02 . 2 . . . . . . . . 4860 1 798 . 1 1 90 90 GLY C C 13 173.4 0.2 . 1 . . . . . . . . 4860 1 799 . 1 1 91 91 GLU N N 15 122.9 0.1 . 1 . . . . . . . . 4860 1 800 . 1 1 91 91 GLU H H 1 8.13 0.02 . 1 . . . . . . . . 4860 1 801 . 1 1 91 91 GLU CA C 13 57.9 0.2 . 1 . . . . . . . . 4860 1 802 . 1 1 91 91 GLU HA H 1 4.18 0.02 . 1 . . . . . . . . 4860 1 803 . 1 1 91 91 GLU CB C 13 32.0 0.2 . 1 . . . . . . . . 4860 1 804 . 1 1 91 91 GLU HB2 H 1 2.11 0.02 . 2 . . . . . . . . 4860 1 805 . 1 1 91 91 GLU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 4860 1 806 . 1 1 91 91 GLU CG C 13 37.1 0.2 . 1 . . . . . . . . 4860 1 807 . 1 1 91 91 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4860 1 808 . 1 1 91 91 GLU HG3 H 1 2.38 0.02 . 2 . . . . . . . . 4860 1 809 . 1 1 91 91 GLU C C 13 175.4 0.2 . 1 . . . . . . . . 4860 1 810 . 1 1 92 92 GLN N N 15 122.1 0.1 . 1 . . . . . . . . 4860 1 811 . 1 1 92 92 GLN H H 1 8.43 0.02 . 1 . . . . . . . . 4860 1 812 . 1 1 92 92 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 4860 1 813 . 1 1 92 92 GLN HA H 1 5.23 0.02 . 1 . . . . . . . . 4860 1 814 . 1 1 92 92 GLN CB C 13 31.0 0.2 . 1 . . . . . . . . 4860 1 815 . 1 1 92 92 GLN HB2 H 1 2.08 0.02 . 2 . . . . . . . . 4860 1 816 . 1 1 92 92 GLN HB3 H 1 1.98 0.02 . 2 . . . . . . . . 4860 1 817 . 1 1 92 92 GLN CG C 13 35.1 0.2 . 1 . . . . . . . . 4860 1 818 . 1 1 92 92 GLN HG2 H 1 2.46 0.02 . 2 . . . . . . . . 4860 1 819 . 1 1 92 92 GLN HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4860 1 820 . 1 1 92 92 GLN NE2 N 15 110.5 0.1 . 1 . . . . . . . . 4860 1 821 . 1 1 92 92 GLN HE21 H 1 7.13 0.02 . 2 . . . . . . . . 4860 1 822 . 1 1 92 92 GLN HE22 H 1 6.72 0.02 . 2 . . . . . . . . 4860 1 823 . 1 1 92 92 GLN C C 13 175.4 0.2 . 1 . . . . . . . . 4860 1 824 . 1 1 93 93 LEU N N 15 122.7 0.1 . 1 . . . . . . . . 4860 1 825 . 1 1 93 93 LEU H H 1 8.78 0.02 . 1 . . . . . . . . 4860 1 826 . 1 1 93 93 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 4860 1 827 . 1 1 93 93 LEU HA H 1 5.03 0.02 . 1 . . . . . . . . 4860 1 828 . 1 1 93 93 LEU CB C 13 46.1 0.2 . 1 . . . . . . . . 4860 1 829 . 1 1 93 93 LEU HB2 H 1 1.18 0.02 . 2 . . . . . . . . 4860 1 830 . 1 1 93 93 LEU HB3 H 1 1.09 0.02 . 2 . . . . . . . . 4860 1 831 . 1 1 93 93 LEU CG C 13 27.3 0.2 . 1 . . . . . . . . 4860 1 832 . 1 1 93 93 LEU HG H 1 1.35 0.02 . 1 . . . . . . . . 4860 1 833 . 1 1 93 93 LEU CD1 C 13 25.9 0.2 . 1 . . . . . . . . 4860 1 834 . 1 1 93 93 LEU HD11 H 1 0.05 0.02 . 1 . . . . . . . . 4860 1 835 . 1 1 93 93 LEU HD12 H 1 0.05 0.02 . 1 . . . . . . . . 4860 1 836 . 1 1 93 93 LEU HD13 H 1 0.05 0.02 . 1 . . . . . . . . 4860 1 837 . 1 1 93 93 LEU CD2 C 13 25.1 0.2 . 1 . . . . . . . . 4860 1 838 . 1 1 93 93 LEU HD21 H 1 0.64 0.02 . 1 . . . . . . . . 4860 1 839 . 1 1 93 93 LEU HD22 H 1 0.64 0.02 . 1 . . . . . . . . 4860 1 840 . 1 1 93 93 LEU HD23 H 1 0.64 0.02 . 1 . . . . . . . . 4860 1 841 . 1 1 93 93 LEU C C 13 174.6 0.2 . 1 . . . . . . . . 4860 1 842 . 1 1 94 94 ARG N N 15 120.4 0.1 . 1 . . . . . . . . 4860 1 843 . 1 1 94 94 ARG H H 1 8.76 0.02 . 1 . . . . . . . . 4860 1 844 . 1 1 94 94 ARG CA C 13 54.3 0.2 . 1 . . . . . . . . 4860 1 845 . 1 1 94 94 ARG HA H 1 5.00 0.02 . 1 . . . . . . . . 4860 1 846 . 1 1 94 94 ARG CB C 13 32.9 0.2 . 1 . . . . . . . . 4860 1 847 . 1 1 94 94 ARG HB2 H 1 1.61 0.02 . 2 . . . . . . . . 4860 1 848 . 1 1 94 94 ARG HB3 H 1 1.68 0.02 . 2 . . . . . . . . 4860 1 849 . 1 1 94 94 ARG CG C 13 28.3 0.2 . 1 . . . . . . . . 4860 1 850 . 1 1 94 94 ARG HG2 H 1 1.46 0.02 . 2 . . . . . . . . 4860 1 851 . 1 1 94 94 ARG HG3 H 1 1.28 0.02 . 2 . . . . . . . . 4860 1 852 . 1 1 94 94 ARG CD C 13 43.3 0.2 . 1 . . . . . . . . 4860 1 853 . 1 1 94 94 ARG HD2 H 1 3.16 0.02 . 2 . . . . . . . . 4860 1 854 . 1 1 94 94 ARG C C 13 176.0 0.2 . 1 . . . . . . . . 4860 1 855 . 1 1 95 95 ILE N N 15 125.0 0.1 . 1 . . . . . . . . 4860 1 856 . 1 1 95 95 ILE H H 1 8.96 0.02 . 1 . . . . . . . . 4860 1 857 . 1 1 95 95 ILE CA C 13 59.0 0.2 . 1 . . . . . . . . 4860 1 858 . 1 1 95 95 ILE HA H 1 4.25 0.02 . 1 . . . . . . . . 4860 1 859 . 1 1 95 95 ILE CB C 13 35.7 0.2 . 1 . . . . . . . . 4860 1 860 . 1 1 95 95 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 4860 1 861 . 1 1 95 95 ILE CG2 C 13 18.7 0.2 . 1 . . . . . . . . 4860 1 862 . 1 1 95 95 ILE HG21 H 1 0.55 0.02 . 1 . . . . . . . . 4860 1 863 . 1 1 95 95 ILE HG22 H 1 0.55 0.02 . 1 . . . . . . . . 4860 1 864 . 1 1 95 95 ILE HG23 H 1 0.55 0.02 . 1 . . . . . . . . 4860 1 865 . 1 1 95 95 ILE CG1 C 13 26.9 0.2 . 1 . . . . . . . . 4860 1 866 . 1 1 95 95 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 4860 1 867 . 1 1 95 95 ILE HG13 H 1 1.26 0.02 . 2 . . . . . . . . 4860 1 868 . 1 1 95 95 ILE CD1 C 13 10.7 0.2 . 1 . . . . . . . . 4860 1 869 . 1 1 95 95 ILE HD11 H 1 0.75 0.02 . 1 . . . . . . . . 4860 1 870 . 1 1 95 95 ILE HD12 H 1 0.75 0.02 . 1 . . . . . . . . 4860 1 871 . 1 1 95 95 ILE HD13 H 1 0.75 0.02 . 1 . . . . . . . . 4860 1 872 . 1 1 95 95 ILE C C 13 175.9 0.2 . 1 . . . . . . . . 4860 1 873 . 1 1 96 96 LEU N N 15 128.7 0.1 . 1 . . . . . . . . 4860 1 874 . 1 1 96 96 LEU H H 1 9.23 0.02 . 1 . . . . . . . . 4860 1 875 . 1 1 96 96 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 4860 1 876 . 1 1 96 96 LEU HA H 1 4.35 0.02 . 1 . . . . . . . . 4860 1 877 . 1 1 96 96 LEU CB C 13 43.1 0.2 . 1 . . . . . . . . 4860 1 878 . 1 1 96 96 LEU HB2 H 1 1.24 0.02 . 2 . . . . . . . . 4860 1 879 . 1 1 96 96 LEU HB3 H 1 1.57 0.02 . 2 . . . . . . . . 4860 1 880 . 1 1 96 96 LEU CG C 13 27.6 0.2 . 1 . . . . . . . . 4860 1 881 . 1 1 96 96 LEU HG H 1 1.46 0.02 . 1 . . . . . . . . 4860 1 882 . 1 1 96 96 LEU CD1 C 13 25.6 0.2 . 1 . . . . . . . . 4860 1 883 . 1 1 96 96 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 4860 1 884 . 1 1 96 96 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 4860 1 885 . 1 1 96 96 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 4860 1 886 . 1 1 96 96 LEU C C 13 177.4 0.2 . 1 . . . . . . . . 4860 1 887 . 1 1 97 97 GLU N N 15 117.8 0.1 . 1 . . . . . . . . 4860 1 888 . 1 1 97 97 GLU H H 1 7.68 0.02 . 1 . . . . . . . . 4860 1 889 . 1 1 97 97 GLU CA C 13 56.5 0.2 . 1 . . . . . . . . 4860 1 890 . 1 1 97 97 GLU HA H 1 4.30 0.02 . 1 . . . . . . . . 4860 1 891 . 1 1 97 97 GLU CB C 13 33.6 0.2 . 1 . . . . . . . . 4860 1 892 . 1 1 97 97 GLU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 4860 1 893 . 1 1 97 97 GLU HB3 H 1 1.90 0.02 . 2 . . . . . . . . 4860 1 894 . 1 1 97 97 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 4860 1 895 . 1 1 97 97 GLU HG2 H 1 2.22 0.02 . 2 . . . . . . . . 4860 1 896 . 1 1 97 97 GLU HG3 H 1 2.12 0.02 . 2 . . . . . . . . 4860 1 897 . 1 1 97 97 GLU C C 13 174.3 0.2 . 1 . . . . . . . . 4860 1 898 . 1 1 98 98 GLN N N 15 125.0 0.1 . 1 . . . . . . . . 4860 1 899 . 1 1 98 98 GLN H H 1 8.59 0.02 . 1 . . . . . . . . 4860 1 900 . 1 1 98 98 GLN CA C 13 53.6 0.2 . 1 . . . . . . . . 4860 1 901 . 1 1 98 98 GLN HA H 1 3.59 0.02 . 1 . . . . . . . . 4860 1 902 . 1 1 98 98 GLN CB C 13 29.0 0.2 . 1 . . . . . . . . 4860 1 903 . 1 1 98 98 GLN HB2 H 1 1.14 0.02 . 2 . . . . . . . . 4860 1 904 . 1 1 98 98 GLN HB3 H 1 0.98 0.02 . 2 . . . . . . . . 4860 1 905 . 1 1 98 98 GLN CG C 13 33.5 0.2 . 1 . . . . . . . . 4860 1 906 . 1 1 98 98 GLN HG2 H 1 0.97 0.02 . 2 . . . . . . . . 4860 1 907 . 1 1 98 98 GLN HG3 H 1 0.80 0.02 . 2 . . . . . . . . 4860 1 908 . 1 1 98 98 GLN NE2 N 15 110.6 0.1 . 1 . . . . . . . . 4860 1 909 . 1 1 98 98 GLN HE21 H 1 6.52 0.02 . 2 . . . . . . . . 4860 1 910 . 1 1 98 98 GLN HE22 H 1 5.91 0.02 . 2 . . . . . . . . 4860 1 911 . 1 1 98 98 GLN C C 13 174.7 0.2 . 1 . . . . . . . . 4860 1 912 . 1 1 99 99 SER N N 15 117.9 0.1 . 1 . . . . . . . . 4860 1 913 . 1 1 99 99 SER H H 1 8.19 0.02 . 1 . . . . . . . . 4860 1 914 . 1 1 99 99 SER CA C 13 57.1 0.2 . 1 . . . . . . . . 4860 1 915 . 1 1 99 99 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 4860 1 916 . 1 1 99 99 SER CB C 13 63.9 0.2 . 1 . . . . . . . . 4860 1 917 . 1 1 99 99 SER HB3 H 1 3.85 0.02 . 2 . . . . . . . . 4860 1 918 . 1 1 99 99 SER C C 13 174.6 0.2 . 1 . . . . . . . . 4860 1 919 . 1 1 100 100 GLY N N 15 112.3 0.1 . 1 . . . . . . . . 4860 1 920 . 1 1 100 100 GLY H H 1 8.49 0.02 . 1 . . . . . . . . 4860 1 921 . 1 1 100 100 GLY CA C 13 46.1 0.2 . 1 . . . . . . . . 4860 1 922 . 1 1 100 100 GLY HA3 H 1 4.08 0.02 . 2 . . . . . . . . 4860 1 923 . 1 1 100 100 GLY HA2 H 1 3.76 0.02 . 2 . . . . . . . . 4860 1 924 . 1 1 100 100 GLY C C 13 174.3 0.2 . 1 . . . . . . . . 4860 1 925 . 1 1 101 101 GLU N N 15 120.9 0.1 . 1 . . . . . . . . 4860 1 926 . 1 1 101 101 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 4860 1 927 . 1 1 101 101 GLU CA C 13 56.8 0.2 . 1 . . . . . . . . 4860 1 928 . 1 1 101 101 GLU HA H 1 3.78 0.02 . 1 . . . . . . . . 4860 1 929 . 1 1 101 101 GLU CB C 13 30.3 0.2 . 1 . . . . . . . . 4860 1 930 . 1 1 101 101 GLU HB2 H 1 1.72 0.02 . 2 . . . . . . . . 4860 1 931 . 1 1 101 101 GLU HB3 H 1 1.87 0.02 . 2 . . . . . . . . 4860 1 932 . 1 1 101 101 GLU CG C 13 36.8 0.2 . 1 . . . . . . . . 4860 1 933 . 1 1 101 101 GLU HG2 H 1 1.95 0.02 . 2 . . . . . . . . 4860 1 934 . 1 1 101 101 GLU HG3 H 1 1.85 0.02 . 2 . . . . . . . . 4860 1 935 . 1 1 101 101 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 4860 1 936 . 1 1 102 102 TRP N N 15 121.1 0.1 . 1 . . . . . . . . 4860 1 937 . 1 1 102 102 TRP H H 1 7.76 0.02 . 1 . . . . . . . . 4860 1 938 . 1 1 102 102 TRP CA C 13 55.6 0.2 . 1 . . . . . . . . 4860 1 939 . 1 1 102 102 TRP HA H 1 5.24 0.02 . 1 . . . . . . . . 4860 1 940 . 1 1 102 102 TRP CB C 13 30.2 0.2 . 1 . . . . . . . . 4860 1 941 . 1 1 102 102 TRP HB3 H 1 2.94 0.02 . 2 . . . . . . . . 4860 1 942 . 1 1 102 102 TRP NE1 N 15 129.0 0.1 . 1 . . . . . . . . 4860 1 943 . 1 1 102 102 TRP HE1 H 1 9.96 0.02 . 1 . . . . . . . . 4860 1 944 . 1 1 102 102 TRP C C 13 175.7 0.2 . 1 . . . . . . . . 4860 1 945 . 1 1 103 103 TRP N N 15 126.1 0.1 . 1 . . . . . . . . 4860 1 946 . 1 1 103 103 TRP H H 1 9.02 0.02 . 1 . . . . . . . . 4860 1 947 . 1 1 103 103 TRP CA C 13 54.2 0.2 . 1 . . . . . . . . 4860 1 948 . 1 1 103 103 TRP HA H 1 5.45 0.02 . 1 . . . . . . . . 4860 1 949 . 1 1 103 103 TRP CB C 13 31.0 0.2 . 1 . . . . . . . . 4860 1 950 . 1 1 103 103 TRP HB2 H 1 3.33 0.02 . 2 . . . . . . . . 4860 1 951 . 1 1 103 103 TRP HB3 H 1 2.97 0.02 . 2 . . . . . . . . 4860 1 952 . 1 1 103 103 TRP NE1 N 15 128.7 0.1 . 1 . . . . . . . . 4860 1 953 . 1 1 103 103 TRP HE1 H 1 9.53 0.02 . 1 . . . . . . . . 4860 1 954 . 1 1 103 103 TRP C C 13 175.9 0.2 . 1 . . . . . . . . 4860 1 955 . 1 1 104 104 LYS N N 15 123.9 0.1 . 1 . . . . . . . . 4860 1 956 . 1 1 104 104 LYS H H 1 8.72 0.02 . 1 . . . . . . . . 4860 1 957 . 1 1 104 104 LYS CA C 13 56.3 0.2 . 1 . . . . . . . . 4860 1 958 . 1 1 104 104 LYS HA H 1 4.43 0.02 . 1 . . . . . . . . 4860 1 959 . 1 1 104 104 LYS CB C 13 34.2 0.2 . 1 . . . . . . . . 4860 1 960 . 1 1 104 104 LYS HB2 H 1 1.57 0.02 . 2 . . . . . . . . 4860 1 961 . 1 1 104 104 LYS HB3 H 1 1.67 0.02 . 2 . . . . . . . . 4860 1 962 . 1 1 104 104 LYS CG C 13 29.0 0.2 . 1 . . . . . . . . 4860 1 963 . 1 1 104 104 LYS HG2 H 1 1.34 0.02 . 2 . . . . . . . . 4860 1 964 . 1 1 104 104 LYS CD C 13 25.6 0.2 . 1 . . . . . . . . 4860 1 965 . 1 1 104 104 LYS HD2 H 1 1.09 0.02 . 2 . . . . . . . . 4860 1 966 . 1 1 104 104 LYS HD3 H 1 0.76 0.02 . 2 . . . . . . . . 4860 1 967 . 1 1 104 104 LYS C C 13 175.1 0.2 . 1 . . . . . . . . 4860 1 968 . 1 1 105 105 ALA N N 15 123.7 0.1 . 1 . . . . . . . . 4860 1 969 . 1 1 105 105 ALA H H 1 9.43 0.02 . 1 . . . . . . . . 4860 1 970 . 1 1 105 105 ALA CA C 13 50.5 0.2 . 1 . . . . . . . . 4860 1 971 . 1 1 105 105 ALA HA H 1 5.45 0.02 . 1 . . . . . . . . 4860 1 972 . 1 1 105 105 ALA CB C 13 25.9 0.2 . 1 . . . . . . . . 4860 1 973 . 1 1 105 105 ALA HB1 H 1 1.22 0.02 . 1 . . . . . . . . 4860 1 974 . 1 1 105 105 ALA HB2 H 1 1.22 0.02 . 1 . . . . . . . . 4860 1 975 . 1 1 105 105 ALA HB3 H 1 1.22 0.02 . 1 . . . . . . . . 4860 1 976 . 1 1 105 105 ALA C C 13 174.1 0.2 . 1 . . . . . . . . 4860 1 977 . 1 1 106 106 GLN N N 15 117.7 0.1 . 1 . . . . . . . . 4860 1 978 . 1 1 106 106 GLN H H 1 8.98 0.02 . 1 . . . . . . . . 4860 1 979 . 1 1 106 106 GLN CA C 13 53.4 0.2 . 1 . . . . . . . . 4860 1 980 . 1 1 106 106 GLN HA H 1 5.27 0.02 . 1 . . . . . . . . 4860 1 981 . 1 1 106 106 GLN CB C 13 33.9 0.2 . 1 . . . . . . . . 4860 1 982 . 1 1 106 106 GLN HB2 H 1 1.85 0.02 . 2 . . . . . . . . 4860 1 983 . 1 1 106 106 GLN HB3 H 1 1.83 0.02 . 2 . . . . . . . . 4860 1 984 . 1 1 106 106 GLN CG C 13 37.3 0.2 . 1 . . . . . . . . 4860 1 985 . 1 1 106 106 GLN HG2 H 1 2.13 0.02 . 2 . . . . . . . . 4860 1 986 . 1 1 106 106 GLN NE2 N 15 112.2 0.1 . 1 . . . . . . . . 4860 1 987 . 1 1 106 106 GLN HE21 H 1 7.69 0.02 . 2 . . . . . . . . 4860 1 988 . 1 1 106 106 GLN HE22 H 1 6.75 0.02 . 2 . . . . . . . . 4860 1 989 . 1 1 106 106 GLN C C 13 175.8 0.2 . 1 . . . . . . . . 4860 1 990 . 1 1 107 107 SER N N 15 119.3 0.1 . 1 . . . . . . . . 4860 1 991 . 1 1 107 107 SER H H 1 8.78 0.02 . 1 . . . . . . . . 4860 1 992 . 1 1 107 107 SER CA C 13 57.9 0.2 . 1 . . . . . . . . 4860 1 993 . 1 1 107 107 SER HA H 1 4.69 0.02 . 1 . . . . . . . . 4860 1 994 . 1 1 107 107 SER CB C 13 63.5 0.2 . 1 . . . . . . . . 4860 1 995 . 1 1 107 107 SER HB2 H 1 4.04 0.02 . 2 . . . . . . . . 4860 1 996 . 1 1 107 107 SER HB3 H 1 4.21 0.02 . 2 . . . . . . . . 4860 1 997 . 1 1 107 107 SER C C 13 177.9 0.2 . 1 . . . . . . . . 4860 1 998 . 1 1 108 108 LEU N N 15 128.8 0.1 . 1 . . . . . . . . 4860 1 999 . 1 1 108 108 LEU H H 1 8.88 0.02 . 1 . . . . . . . . 4860 1 1000 . 1 1 108 108 LEU CA C 13 57.3 0.2 . 1 . . . . . . . . 4860 1 1001 . 1 1 108 108 LEU HA H 1 4.30 0.02 . 1 . . . . . . . . 4860 1 1002 . 1 1 108 108 LEU CB C 13 41.1 0.2 . 1 . . . . . . . . 4860 1 1003 . 1 1 108 108 LEU HB2 H 1 1.73 0.02 . 2 . . . . . . . . 4860 1 1004 . 1 1 108 108 LEU CG C 13 29.1 0.2 . 1 . . . . . . . . 4860 1 1005 . 1 1 108 108 LEU CD1 C 13 23.9 0.2 . 1 . . . . . . . . 4860 1 1006 . 1 1 108 108 LEU HD11 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 1007 . 1 1 108 108 LEU HD12 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 1008 . 1 1 108 108 LEU HD13 H 1 0.82 0.02 . 1 . . . . . . . . 4860 1 1009 . 1 1 108 108 LEU CD2 C 13 25.5 0.2 . 1 . . . . . . . . 4860 1 1010 . 1 1 108 108 LEU C C 13 178.4 0.2 . 1 . . . . . . . . 4860 1 1011 . 1 1 109 109 THR N N 15 114.1 0.1 . 1 . . . . . . . . 4860 1 1012 . 1 1 109 109 THR H H 1 8.49 0.02 . 1 . . . . . . . . 4860 1 1013 . 1 1 109 109 THR CA C 13 64.9 0.2 . 1 . . . . . . . . 4860 1 1014 . 1 1 109 109 THR HA H 1 4.28 0.02 . 1 . . . . . . . . 4860 1 1015 . 1 1 109 109 THR CB C 13 69.4 0.2 . 1 . . . . . . . . 4860 1 1016 . 1 1 109 109 THR HB H 1 4.09 0.02 . 1 . . . . . . . . 4860 1 1017 . 1 1 109 109 THR CG2 C 13 22.5 0.2 . 1 . . . . . . . . 4860 1 1018 . 1 1 109 109 THR HG21 H 1 1.27 0.02 . 1 . . . . . . . . 4860 1 1019 . 1 1 109 109 THR HG22 H 1 1.27 0.02 . 1 . . . . . . . . 4860 1 1020 . 1 1 109 109 THR HG23 H 1 1.27 0.02 . 1 . . . . . . . . 4860 1 1021 . 1 1 109 109 THR C C 13 176.7 0.2 . 1 . . . . . . . . 4860 1 1022 . 1 1 110 110 THR N N 15 108.6 0.1 . 1 . . . . . . . . 4860 1 1023 . 1 1 110 110 THR H H 1 8.14 0.02 . 1 . . . . . . . . 4860 1 1024 . 1 1 110 110 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 4860 1 1025 . 1 1 110 110 THR HA H 1 4.34 0.02 . 1 . . . . . . . . 4860 1 1026 . 1 1 110 110 THR CB C 13 71.4 0.2 . 1 . . . . . . . . 4860 1 1027 . 1 1 110 110 THR HB H 1 4.48 0.02 . 1 . . . . . . . . 4860 1 1028 . 1 1 110 110 THR CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4860 1 1029 . 1 1 110 110 THR HG21 H 1 1.26 0.02 . 1 . . . . . . . . 4860 1 1030 . 1 1 110 110 THR HG22 H 1 1.26 0.02 . 1 . . . . . . . . 4860 1 1031 . 1 1 110 110 THR HG23 H 1 1.26 0.02 . 1 . . . . . . . . 4860 1 1032 . 1 1 110 110 THR C C 13 177.0 0.2 . 1 . . . . . . . . 4860 1 1033 . 1 1 111 111 GLY N N 15 110.6 0.1 . 1 . . . . . . . . 4860 1 1034 . 1 1 111 111 GLY H H 1 7.67 0.02 . 1 . . . . . . . . 4860 1 1035 . 1 1 111 111 GLY CA C 13 45.9 0.2 . 1 . . . . . . . . 4860 1 1036 . 1 1 111 111 GLY HA3 H 1 4.26 0.02 . 2 . . . . . . . . 4860 1 1037 . 1 1 111 111 GLY HA2 H 1 3.82 0.02 . 2 . . . . . . . . 4860 1 1038 . 1 1 111 111 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 4860 1 1039 . 1 1 112 112 GLN N N 15 121.0 0.1 . 1 . . . . . . . . 4860 1 1040 . 1 1 112 112 GLN H H 1 7.93 0.02 . 1 . . . . . . . . 4860 1 1041 . 1 1 112 112 GLN CA C 13 56.6 0.2 . 1 . . . . . . . . 4860 1 1042 . 1 1 112 112 GLN HA H 1 4.22 0.02 . 1 . . . . . . . . 4860 1 1043 . 1 1 112 112 GLN CB C 13 29.6 0.2 . 1 . . . . . . . . 4860 1 1044 . 1 1 112 112 GLN HB2 H 1 1.93 0.02 . 2 . . . . . . . . 4860 1 1045 . 1 1 112 112 GLN HB3 H 1 2.05 0.02 . 2 . . . . . . . . 4860 1 1046 . 1 1 112 112 GLN CG C 13 34.3 0.2 . 1 . . . . . . . . 4860 1 1047 . 1 1 112 112 GLN HG2 H 1 2.41 0.02 . 2 . . . . . . . . 4860 1 1048 . 1 1 112 112 GLN NE2 N 15 112.5 0.1 . 1 . . . . . . . . 4860 1 1049 . 1 1 112 112 GLN HE21 H 1 7.57 0.02 . 2 . . . . . . . . 4860 1 1050 . 1 1 112 112 GLN HE22 H 1 6.96 0.02 . 2 . . . . . . . . 4860 1 1051 . 1 1 112 112 GLN C C 13 174.3 0.2 . 1 . . . . . . . . 4860 1 1052 . 1 1 113 113 GLU N N 15 120.1 0.1 . 1 . . . . . . . . 4860 1 1053 . 1 1 113 113 GLU H H 1 8.55 0.02 . 1 . . . . . . . . 4860 1 1054 . 1 1 113 113 GLU CA C 13 53.9 0.2 . 1 . . . . . . . . 4860 1 1055 . 1 1 113 113 GLU HA H 1 5.70 0.02 . 1 . . . . . . . . 4860 1 1056 . 1 1 113 113 GLU CB C 13 34.3 0.2 . 1 . . . . . . . . 4860 1 1057 . 1 1 113 113 GLU HB2 H 1 1.87 0.02 . 2 . . . . . . . . 4860 1 1058 . 1 1 113 113 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4860 1 1059 . 1 1 113 113 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 4860 1 1060 . 1 1 113 113 GLU HG2 H 1 2.01 0.02 . 2 . . . . . . . . 4860 1 1061 . 1 1 113 113 GLU HG3 H 1 2.24 0.02 . 2 . . . . . . . . 4860 1 1062 . 1 1 113 113 GLU C C 13 176.9 0.2 . 1 . . . . . . . . 4860 1 1063 . 1 1 114 114 GLY N N 15 107.6 0.1 . 1 . . . . . . . . 4860 1 1064 . 1 1 114 114 GLY H H 1 8.74 0.02 . 1 . . . . . . . . 4860 1 1065 . 1 1 114 114 GLY CA C 13 45.7 0.2 . 1 . . . . . . . . 4860 1 1066 . 1 1 114 114 GLY HA3 H 1 4.10 0.02 . 2 . . . . . . . . 4860 1 1067 . 1 1 114 114 GLY HA2 H 1 3.93 0.02 . 2 . . . . . . . . 4860 1 1068 . 1 1 115 115 PHE N N 15 119.5 0.1 . 1 . . . . . . . . 4860 1 1069 . 1 1 115 115 PHE H H 1 8.72 0.02 . 1 . . . . . . . . 4860 1 1070 . 1 1 115 115 PHE CA C 13 58.9 0.2 . 1 . . . . . . . . 4860 1 1071 . 1 1 115 115 PHE HA H 1 5.67 0.02 . 1 . . . . . . . . 4860 1 1072 . 1 1 115 115 PHE CB C 13 41.5 0.2 . 1 . . . . . . . . 4860 1 1073 . 1 1 115 115 PHE HB2 H 1 3.16 0.02 . 2 . . . . . . . . 4860 1 1074 . 1 1 115 115 PHE HB3 H 1 2.98 0.02 . 2 . . . . . . . . 4860 1 1075 . 1 1 115 115 PHE C C 13 174.0 0.2 . 1 . . . . . . . . 4860 1 1076 . 1 1 116 116 ILE N N 15 113.8 0.1 . 1 . . . . . . . . 4860 1 1077 . 1 1 116 116 ILE H H 1 9.51 0.02 . 1 . . . . . . . . 4860 1 1078 . 1 1 116 116 ILE CA C 13 57.5 0.2 . 1 . . . . . . . . 4860 1 1079 . 1 1 116 116 ILE HA H 1 5.19 0.02 . 1 . . . . . . . . 4860 1 1080 . 1 1 116 116 ILE CB C 13 40.7 0.2 . 1 . . . . . . . . 4860 1 1081 . 1 1 116 116 ILE HB H 1 1.68 0.02 . 1 . . . . . . . . 4860 1 1082 . 1 1 116 116 ILE CG2 C 13 21.4 0.2 . 1 . . . . . . . . 4860 1 1083 . 1 1 116 116 ILE HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4860 1 1084 . 1 1 116 116 ILE HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4860 1 1085 . 1 1 116 116 ILE HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4860 1 1086 . 1 1 116 116 ILE CG1 C 13 25.7 0.2 . 1 . . . . . . . . 4860 1 1087 . 1 1 116 116 ILE HG12 H 1 1.42 0.02 . 2 . . . . . . . . 4860 1 1088 . 1 1 116 116 ILE HG13 H 1 1.01 0.02 . 2 . . . . . . . . 4860 1 1089 . 1 1 116 116 ILE CD1 C 13 15.8 0.2 . 1 . . . . . . . . 4860 1 1090 . 1 1 116 116 ILE HD11 H 1 0.47 0.02 . 1 . . . . . . . . 4860 1 1091 . 1 1 116 116 ILE HD12 H 1 0.47 0.02 . 1 . . . . . . . . 4860 1 1092 . 1 1 116 116 ILE HD13 H 1 0.47 0.02 . 1 . . . . . . . . 4860 1 1093 . 1 1 117 117 PRO CD C 13 49.9 0.2 . 1 . . . . . . . . 4860 1 1094 . 1 1 117 117 PRO CA C 13 61.7 0.2 . 1 . . . . . . . . 4860 1 1095 . 1 1 117 117 PRO HA H 1 3.66 0.02 . 1 . . . . . . . . 4860 1 1096 . 1 1 117 117 PRO CB C 13 30.5 0.2 . 1 . . . . . . . . 4860 1 1097 . 1 1 117 117 PRO HB2 H 1 1.14 0.02 . 2 . . . . . . . . 4860 1 1098 . 1 1 117 117 PRO HB3 H 1 1.23 0.02 . 2 . . . . . . . . 4860 1 1099 . 1 1 117 117 PRO CG C 13 27.1 0.2 . 1 . . . . . . . . 4860 1 1100 . 1 1 117 117 PRO HG2 H 1 0.60 0.02 . 2 . . . . . . . . 4860 1 1101 . 1 1 117 117 PRO HD2 H 1 2.81 0.02 . 2 . . . . . . . . 4860 1 1102 . 1 1 117 117 PRO C C 13 179.9 0.2 . 1 . . . . . . . . 4860 1 1103 . 1 1 118 118 PHE N N 15 123.7 0.1 . 1 . . . . . . . . 4860 1 1104 . 1 1 118 118 PHE H H 1 7.53 0.02 . 1 . . . . . . . . 4860 1 1105 . 1 1 118 118 PHE CA C 13 59.6 0.2 . 1 . . . . . . . . 4860 1 1106 . 1 1 118 118 PHE HA H 1 2.84 0.02 . 1 . . . . . . . . 4860 1 1107 . 1 1 118 118 PHE CB C 13 35.7 0.2 . 1 . . . . . . . . 4860 1 1108 . 1 1 118 118 PHE HB2 H 1 1.08 0.02 . 2 . . . . . . . . 4860 1 1109 . 1 1 118 118 PHE HB3 H 1 1.49 0.02 . 2 . . . . . . . . 4860 1 1110 . 1 1 118 118 PHE C C 13 174.1 0.2 . 1 . . . . . . . . 4860 1 1111 . 1 1 119 119 ASN N N 15 113.6 0.1 . 1 . . . . . . . . 4860 1 1112 . 1 1 119 119 ASN H H 1 7.23 0.02 . 1 . . . . . . . . 4860 1 1113 . 1 1 119 119 ASN CA C 13 52.3 0.2 . 1 . . . . . . . . 4860 1 1114 . 1 1 119 119 ASN HA H 1 3.98 0.02 . 1 . . . . . . . . 4860 1 1115 . 1 1 119 119 ASN CB C 13 35.8 0.2 . 1 . . . . . . . . 4860 1 1116 . 1 1 119 119 ASN HB2 H 1 1.43 0.02 . 2 . . . . . . . . 4860 1 1117 . 1 1 119 119 ASN HB3 H 1 2.52 0.02 . 2 . . . . . . . . 4860 1 1118 . 1 1 119 119 ASN ND2 N 15 111.8 0.1 . 1 . . . . . . . . 4860 1 1119 . 1 1 119 119 ASN HD21 H 1 7.31 0.02 . 2 . . . . . . . . 4860 1 1120 . 1 1 119 119 ASN HD22 H 1 6.53 0.02 . 2 . . . . . . . . 4860 1 1121 . 1 1 119 119 ASN C C 13 176.0 0.2 . 1 . . . . . . . . 4860 1 1122 . 1 1 120 120 PHE N N 15 120.0 0.1 . 1 . . . . . . . . 4860 1 1123 . 1 1 120 120 PHE H H 1 7.66 0.02 . 1 . . . . . . . . 4860 1 1124 . 1 1 120 120 PHE CA C 13 58.2 0.2 . 1 . . . . . . . . 4860 1 1125 . 1 1 120 120 PHE HA H 1 4.49 0.02 . 1 . . . . . . . . 4860 1 1126 . 1 1 120 120 PHE CB C 13 39.5 0.2 . 1 . . . . . . . . 4860 1 1127 . 1 1 120 120 PHE HB2 H 1 3.25 0.02 . 2 . . . . . . . . 4860 1 1128 . 1 1 120 120 PHE HB3 H 1 3.63 0.02 . 2 . . . . . . . . 4860 1 1129 . 1 1 120 120 PHE C C 13 174.7 0.2 . 1 . . . . . . . . 4860 1 1130 . 1 1 121 121 VAL N N 15 109.1 0.1 . 1 . . . . . . . . 4860 1 1131 . 1 1 121 121 VAL H H 1 7.02 0.02 . 1 . . . . . . . . 4860 1 1132 . 1 1 121 121 VAL CA C 13 58.5 0.2 . 1 . . . . . . . . 4860 1 1133 . 1 1 121 121 VAL HA H 1 5.26 0.02 . 1 . . . . . . . . 4860 1 1134 . 1 1 121 121 VAL CB C 13 35.9 0.2 . 1 . . . . . . . . 4860 1 1135 . 1 1 121 121 VAL HB H 1 1.77 0.02 . 1 . . . . . . . . 4860 1 1136 . 1 1 121 121 VAL CG1 C 13 22.0 0.2 . 1 . . . . . . . . 4860 1 1137 . 1 1 121 121 VAL HG11 H 1 0.38 0.02 . 1 . . . . . . . . 4860 1 1138 . 1 1 121 121 VAL HG12 H 1 0.38 0.02 . 1 . . . . . . . . 4860 1 1139 . 1 1 121 121 VAL HG13 H 1 0.38 0.02 . 1 . . . . . . . . 4860 1 1140 . 1 1 121 121 VAL CG2 C 13 17.9 0.2 . 1 . . . . . . . . 4860 1 1141 . 1 1 121 121 VAL HG21 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 1142 . 1 1 121 121 VAL HG22 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 1143 . 1 1 121 121 VAL HG23 H 1 0.69 0.02 . 1 . . . . . . . . 4860 1 1144 . 1 1 121 121 VAL C C 13 173.8 0.2 . 1 . . . . . . . . 4860 1 1145 . 1 1 122 122 ALA N N 15 121.9 0.1 . 1 . . . . . . . . 4860 1 1146 . 1 1 122 122 ALA H H 1 8.58 0.02 . 1 . . . . . . . . 4860 1 1147 . 1 1 122 122 ALA CA C 13 50.9 0.2 . 1 . . . . . . . . 4860 1 1148 . 1 1 122 122 ALA HA H 1 4.71 0.02 . 1 . . . . . . . . 4860 1 1149 . 1 1 122 122 ALA CB C 13 23.2 0.2 . 1 . . . . . . . . 4860 1 1150 . 1 1 122 122 ALA HB1 H 1 1.36 0.02 . 1 . . . . . . . . 4860 1 1151 . 1 1 122 122 ALA HB2 H 1 1.36 0.02 . 1 . . . . . . . . 4860 1 1152 . 1 1 122 122 ALA HB3 H 1 1.36 0.02 . 1 . . . . . . . . 4860 1 1153 . 1 1 122 122 ALA C C 13 176.4 0.2 . 1 . . . . . . . . 4860 1 1154 . 1 1 123 123 LYS N N 15 120.9 0.1 . 1 . . . . . . . . 4860 1 1155 . 1 1 123 123 LYS H H 1 8.62 0.02 . 1 . . . . . . . . 4860 1 1156 . 1 1 123 123 LYS CA C 13 57.7 0.2 . 1 . . . . . . . . 4860 1 1157 . 1 1 123 123 LYS HA H 1 4.27 0.02 . 1 . . . . . . . . 4860 1 1158 . 1 1 123 123 LYS CB C 13 33.0 0.2 . 1 . . . . . . . . 4860 1 1159 . 1 1 123 123 LYS HB2 H 1 1.89 0.02 . 2 . . . . . . . . 4860 1 1160 . 1 1 123 123 LYS CG C 13 29.3 0.2 . 1 . . . . . . . . 4860 1 1161 . 1 1 123 123 LYS HG2 H 1 1.81 0.02 . 2 . . . . . . . . 4860 1 1162 . 1 1 123 123 LYS CD C 13 25.0 0.2 . 1 . . . . . . . . 4860 1 1163 . 1 1 123 123 LYS HD2 H 1 1.57 0.02 . 2 . . . . . . . . 4860 1 1164 . 1 1 124 124 ALA N N 15 126.7 0.1 . 1 . . . . . . . . 4860 1 1165 . 1 1 124 124 ALA H H 1 8.37 0.02 . 1 . . . . . . . . 4860 1 1166 . 1 1 124 124 ALA CA C 13 52.7 0.2 . 1 . . . . . . . . 4860 1 1167 . 1 1 124 124 ALA HA H 1 4.26 0.02 . 1 . . . . . . . . 4860 1 1168 . 1 1 124 124 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 4860 1 1169 . 1 1 124 124 ALA HB1 H 1 1.25 0.02 . 1 . . . . . . . . 4860 1 1170 . 1 1 124 124 ALA HB2 H 1 1.25 0.02 . 1 . . . . . . . . 4860 1 1171 . 1 1 124 124 ALA HB3 H 1 1.25 0.02 . 1 . . . . . . . . 4860 1 1172 . 1 1 124 124 ALA C C 13 176.4 0.2 . 1 . . . . . . . . 4860 1 1173 . 1 1 125 125 ASN N N 15 123.3 0.1 . 1 . . . . . . . . 4860 1 1174 . 1 1 125 125 ASN H H 1 7.92 0.02 . 1 . . . . . . . . 4860 1 1175 . 1 1 125 125 ASN CA C 13 54.7 0.2 . 1 . . . . . . . . 4860 1 1176 . 1 1 125 125 ASN CB C 13 40.6 0.2 . 1 . . . . . . . . 4860 1 stop_ save_