data_18901 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18901 _Entry.Title ; NMR structure of the C-terminal domain of the protein HCFC1 from MUS MUSCULUS ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-14 _Entry.Accession_date 2012-12-14 _Entry.Last_release_date 2013-02-15 _Entry.Original_release_date 2013-02-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Pedro Serrano . . . 18901 2 Michael Geralt . . . 18901 3 Samit Dutta . K. . 18901 4 Kurt Wuthrich . . . 18901 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 18901 2 PSI:Biology 'Partnership for Stem Cell Biology' . 18901 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HCFC1 . 18901 JCSG . 18901 PSI:Biology . 18901 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18901 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 18901 '15N chemical shifts' 111 18901 '1H chemical shifts' 736 18901 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 . . 2013-02-15 2012-12-14 original author . 18901 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M26 'BMRB Entry Tracking System' 18901 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18901 _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 'NMR structure of the C-terminal domain of the protein HCFC1 from MUS MUSCULUS' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Pedro Serrano . . . 18901 1 2 Kurt Wuthrich . . . 18901 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18901 _Assembly.ID 1 _Assembly.Name 'C-terminal domain of the protein HCFC1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal domain of the protein HCFC1' 1 $entity A . yes native no no . . . 18901 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18901 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCLPGFPGAPCAIKISKSPD GAHLTWEPPSVTSGKIIEYS VYLAIQSSQASGEPKSSTPA QLAFMRVYCGPSPSCLVQSS SLSNAHIDYTTKPAIIFRIA ARNEKGYGPATQVRWLQETS KDSSGT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 126 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13347.151 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M26 . "Nmr Structure Of The C-terminal Domain Of The Protein Hcfc1 From Mus Musculus" . . . . . 100.00 126 100.00 100.00 3.07e-85 . . . . 18901 1 2 no PDB 4GO6 . "Crystal Structure Of Hcf-1 Self-association Sequence 1" . . . . . 99.21 232 97.60 97.60 4.35e-80 . . . . 18901 1 3 no DBJ BAA08258 . "HCF [Mesocricetus auratus]" . . . . . 99.21 2090 99.20 99.20 3.00e-77 . . . . 18901 1 4 no EMBL CAA55790 . "host cell factor [Homo sapiens]" . . . . . 99.21 1938 98.40 98.40 4.11e-76 . . . . 18901 1 5 no GB AAB01163 . "transcription factor C1 (HCF) [Mus musculus]" . . . . . 99.21 2045 100.00 100.00 7.76e-78 . . . . 18901 1 6 no GB AAB27583 . "HCF, C1, VCAF, CFF=VP16 accessory protein host cell factor [human, HeLa cell, Peptide, 2035 aa]" . . . . . 99.21 2035 98.40 98.40 9.49e-76 . . . . 18901 1 7 no GB AAD09225 . "C1 transcription factor [Mus musculus]" . . . . . 99.21 2045 100.00 100.00 9.33e-78 . . . . 18901 1 8 no GB AAH53742 . "Host cell factor C1 [Mus musculus]" . . . . . 99.21 2045 100.00 100.00 7.25e-78 . . . . 18901 1 9 no GB ABX10979 . "host cell factor C1 (predicted) [Papio anubis]" . . . . . 99.21 2035 98.40 98.40 9.04e-76 . . . . 18901 1 10 no REF NP_001132979 . "host cell factor 1 [Rattus norvegicus]" . . . . . 99.21 2034 100.00 100.00 8.07e-78 . . . . 18901 1 11 no REF NP_001162266 . "host cell factor 1 [Papio anubis]" . . . . . 99.21 2035 98.40 98.40 9.04e-76 . . . . 18901 1 12 no REF NP_001268286 . "host cell factor 1 [Mesocricetus auratus]" . . . . . 99.21 2090 99.20 99.20 3.00e-77 . . . . 18901 1 13 no REF NP_005325 . "host cell factor 1 [Homo sapiens]" . . . . . 99.21 2035 98.40 98.40 9.49e-76 . . . . 18901 1 14 no REF NP_032250 . "host cell factor 1 precursor [Mus musculus]" . . . . . 99.21 2045 100.00 100.00 7.25e-78 . . . . 18901 1 15 no SP P51610 . "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; AltName: Full=CFF; AltName: Full=VCAF; AltNa" . . . . . 99.21 2035 98.40 98.40 9.49e-76 . . . . 18901 1 16 no SP P51611 . "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; AltName: Full=VCAF; AltName: Full=VP16 acces" . . . . . 99.21 2090 99.20 99.20 3.00e-77 . . . . 18901 1 17 no SP Q61191 . "RecName: Full=Host cell factor 1; Short=HCF; Short=HCF-1; AltName: Full=C1 factor; Contains: RecName: Full=HCF N-terminal chain" . . . . . 99.21 2045 100.00 100.00 7.25e-78 . . . . 18901 1 18 no TPG DAA13208 . "TPA: Host cell factor (predicted)-like [Bos taurus]" . . . . . 98.41 1992 97.58 98.39 4.30e-75 . . . . 18901 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 1 GLY . 18901 1 2 2 CYS . 18901 1 3 3 LEU . 18901 1 4 4 PRO . 18901 1 5 5 GLY . 18901 1 6 6 PHE . 18901 1 7 7 PRO . 18901 1 8 8 GLY . 18901 1 9 9 ALA . 18901 1 10 10 PRO . 18901 1 11 11 CYS . 18901 1 12 12 ALA . 18901 1 13 13 ILE . 18901 1 14 14 LYS . 18901 1 15 15 ILE . 18901 1 16 16 SER . 18901 1 17 17 LYS . 18901 1 18 18 SER . 18901 1 19 19 PRO . 18901 1 20 20 ASP . 18901 1 21 21 GLY . 18901 1 22 22 ALA . 18901 1 23 23 HIS . 18901 1 24 24 LEU . 18901 1 25 25 THR . 18901 1 26 26 TRP . 18901 1 27 27 GLU . 18901 1 28 28 PRO . 18901 1 29 29 PRO . 18901 1 30 30 SER . 18901 1 31 31 VAL . 18901 1 32 32 THR . 18901 1 33 33 SER . 18901 1 34 34 GLY . 18901 1 35 35 LYS . 18901 1 36 36 ILE . 18901 1 37 37 ILE . 18901 1 38 38 GLU . 18901 1 39 39 TYR . 18901 1 40 40 SER . 18901 1 41 41 VAL . 18901 1 42 42 TYR . 18901 1 43 43 LEU . 18901 1 44 44 ALA . 18901 1 45 45 ILE . 18901 1 46 46 GLN . 18901 1 47 47 SER . 18901 1 48 48 SER . 18901 1 49 49 GLN . 18901 1 50 50 ALA . 18901 1 51 51 SER . 18901 1 52 52 GLY . 18901 1 53 53 GLU . 18901 1 54 54 PRO . 18901 1 55 55 LYS . 18901 1 56 56 SER . 18901 1 57 57 SER . 18901 1 58 58 THR . 18901 1 59 59 PRO . 18901 1 60 60 ALA . 18901 1 61 61 GLN . 18901 1 62 62 LEU . 18901 1 63 63 ALA . 18901 1 64 64 PHE . 18901 1 65 65 MET . 18901 1 66 66 ARG . 18901 1 67 67 VAL . 18901 1 68 68 TYR . 18901 1 69 69 CYS . 18901 1 70 70 GLY . 18901 1 71 71 PRO . 18901 1 72 72 SER . 18901 1 73 73 PRO . 18901 1 74 74 SER . 18901 1 75 75 CYS . 18901 1 76 76 LEU . 18901 1 77 77 VAL . 18901 1 78 78 GLN . 18901 1 79 79 SER . 18901 1 80 80 SER . 18901 1 81 81 SER . 18901 1 82 82 LEU . 18901 1 83 83 SER . 18901 1 84 84 ASN . 18901 1 85 85 ALA . 18901 1 86 86 HIS . 18901 1 87 87 ILE . 18901 1 88 88 ASP . 18901 1 89 89 TYR . 18901 1 90 90 THR . 18901 1 91 91 THR . 18901 1 92 92 LYS . 18901 1 93 93 PRO . 18901 1 94 94 ALA . 18901 1 95 95 ILE . 18901 1 96 96 ILE . 18901 1 97 97 PHE . 18901 1 98 98 ARG . 18901 1 99 99 ILE . 18901 1 100 100 ALA . 18901 1 101 101 ALA . 18901 1 102 102 ARG . 18901 1 103 103 ASN . 18901 1 104 104 GLU . 18901 1 105 105 LYS . 18901 1 106 106 GLY . 18901 1 107 107 TYR . 18901 1 108 108 GLY . 18901 1 109 109 PRO . 18901 1 110 110 ALA . 18901 1 111 111 THR . 18901 1 112 112 GLN . 18901 1 113 113 VAL . 18901 1 114 114 ARG . 18901 1 115 115 TRP . 18901 1 116 116 LEU . 18901 1 117 117 GLN . 18901 1 118 118 GLU . 18901 1 119 119 THR . 18901 1 120 120 SER . 18901 1 121 121 LYS . 18901 1 122 122 ASP . 18901 1 123 123 SER . 18901 1 124 124 SER . 18901 1 125 125 GLY . 18901 1 126 126 THR . 18901 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 18901 1 . CYS 2 2 18901 1 . LEU 3 3 18901 1 . PRO 4 4 18901 1 . GLY 5 5 18901 1 . PHE 6 6 18901 1 . PRO 7 7 18901 1 . GLY 8 8 18901 1 . ALA 9 9 18901 1 . PRO 10 10 18901 1 . CYS 11 11 18901 1 . ALA 12 12 18901 1 . ILE 13 13 18901 1 . LYS 14 14 18901 1 . ILE 15 15 18901 1 . SER 16 16 18901 1 . LYS 17 17 18901 1 . SER 18 18 18901 1 . PRO 19 19 18901 1 . ASP 20 20 18901 1 . GLY 21 21 18901 1 . ALA 22 22 18901 1 . HIS 23 23 18901 1 . LEU 24 24 18901 1 . THR 25 25 18901 1 . TRP 26 26 18901 1 . GLU 27 27 18901 1 . PRO 28 28 18901 1 . PRO 29 29 18901 1 . SER 30 30 18901 1 . VAL 31 31 18901 1 . THR 32 32 18901 1 . SER 33 33 18901 1 . GLY 34 34 18901 1 . LYS 35 35 18901 1 . ILE 36 36 18901 1 . ILE 37 37 18901 1 . GLU 38 38 18901 1 . TYR 39 39 18901 1 . SER 40 40 18901 1 . VAL 41 41 18901 1 . TYR 42 42 18901 1 . LEU 43 43 18901 1 . ALA 44 44 18901 1 . ILE 45 45 18901 1 . GLN 46 46 18901 1 . SER 47 47 18901 1 . SER 48 48 18901 1 . GLN 49 49 18901 1 . ALA 50 50 18901 1 . SER 51 51 18901 1 . GLY 52 52 18901 1 . GLU 53 53 18901 1 . PRO 54 54 18901 1 . LYS 55 55 18901 1 . SER 56 56 18901 1 . SER 57 57 18901 1 . THR 58 58 18901 1 . PRO 59 59 18901 1 . ALA 60 60 18901 1 . GLN 61 61 18901 1 . LEU 62 62 18901 1 . ALA 63 63 18901 1 . PHE 64 64 18901 1 . MET 65 65 18901 1 . ARG 66 66 18901 1 . VAL 67 67 18901 1 . TYR 68 68 18901 1 . CYS 69 69 18901 1 . GLY 70 70 18901 1 . PRO 71 71 18901 1 . SER 72 72 18901 1 . PRO 73 73 18901 1 . SER 74 74 18901 1 . CYS 75 75 18901 1 . LEU 76 76 18901 1 . VAL 77 77 18901 1 . GLN 78 78 18901 1 . SER 79 79 18901 1 . SER 80 80 18901 1 . SER 81 81 18901 1 . LEU 82 82 18901 1 . SER 83 83 18901 1 . ASN 84 84 18901 1 . ALA 85 85 18901 1 . HIS 86 86 18901 1 . ILE 87 87 18901 1 . ASP 88 88 18901 1 . TYR 89 89 18901 1 . THR 90 90 18901 1 . THR 91 91 18901 1 . LYS 92 92 18901 1 . PRO 93 93 18901 1 . ALA 94 94 18901 1 . ILE 95 95 18901 1 . ILE 96 96 18901 1 . PHE 97 97 18901 1 . ARG 98 98 18901 1 . ILE 99 99 18901 1 . ALA 100 100 18901 1 . ALA 101 101 18901 1 . ARG 102 102 18901 1 . ASN 103 103 18901 1 . GLU 104 104 18901 1 . LYS 105 105 18901 1 . GLY 106 106 18901 1 . TYR 107 107 18901 1 . GLY 108 108 18901 1 . PRO 109 109 18901 1 . ALA 110 110 18901 1 . THR 111 111 18901 1 . GLN 112 112 18901 1 . VAL 113 113 18901 1 . ARG 114 114 18901 1 . TRP 115 115 18901 1 . LEU 116 116 18901 1 . GLN 117 117 18901 1 . GLU 118 118 18901 1 . THR 119 119 18901 1 . SER 120 120 18901 1 . LYS 121 121 18901 1 . ASP 122 122 18901 1 . SER 123 123 18901 1 . SER 124 124 18901 1 . GLY 125 125 18901 1 . THR 126 126 18901 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 18901 _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 $entity . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 18901 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 18901 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . pSpeedET . . . . . . 18901 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18901 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 18901 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18901 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18901 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18901 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18901 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.220 . M 18901 1 pH 6.5 . pH 18901 1 pressure 1 . atm 18901 1 temperature 298 . K 18901 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18901 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 18901 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18901 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 18901 _Software.ID 2 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann & Wuthrich' . . 18901 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18901 2 'structure solution' 18901 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18901 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18901 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18901 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18901 1 2 spectrometer_2 Bruker Avance . 800 . . . 18901 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 18901 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 5 '4D APSY HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 6 '5D APSY CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 7 '5D APSY HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18901 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18901 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18901 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18901 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18901 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18901 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18901 1 2 '3D 1H-13C NOESY aliphatic' . . . 18901 1 3 '3D 1H-13C NOESY aromatic' . . . 18901 1 4 '3D 1H-15N NOESY' . . . 18901 1 5 '4D APSY HACANH' . . . 18901 1 6 '5D APSY CBCACONH' . . . 18901 1 7 '5D APSY HACACONH' . . . 18901 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 PHE H H 1 7.818 0.000 . . . . . A 6 PHE H . 18901 1 2 . 1 1 6 6 PHE HA H 1 4.790 0.000 . . . . . A 6 PHE HA . 18901 1 3 . 1 1 6 6 PHE HB2 H 1 2.753 0.000 . . . . . A 6 PHE HB2 . 18901 1 4 . 1 1 6 6 PHE HB3 H 1 3.075 0.000 . . . . . A 6 PHE HB3 . 18901 1 5 . 1 1 6 6 PHE HD1 H 1 7.082 0.000 . . . . . A 6 PHE QD . 18901 1 6 . 1 1 6 6 PHE HD2 H 1 7.082 0.000 . . . . . A 6 PHE QD . 18901 1 7 . 1 1 6 6 PHE HE1 H 1 7.169 0.000 . . . . . A 6 PHE QE . 18901 1 8 . 1 1 6 6 PHE HE2 H 1 7.169 0.000 . . . . . A 6 PHE QE . 18901 1 9 . 1 1 6 6 PHE CA C 13 56.026 0.000 . . . . . A 6 PHE CA . 18901 1 10 . 1 1 6 6 PHE CB C 13 38.260 0.000 . . . . . A 6 PHE CB . 18901 1 11 . 1 1 6 6 PHE CD1 C 13 129.792 0.000 . . . . . A 6 PHE CD1 . 18901 1 12 . 1 1 6 6 PHE CD2 C 13 129.792 0.000 . . . . . A 6 PHE CD2 . 18901 1 13 . 1 1 6 6 PHE CE1 C 13 129.565 0.000 . . . . . A 6 PHE CE1 . 18901 1 14 . 1 1 6 6 PHE CE2 C 13 129.565 0.000 . . . . . A 6 PHE CE2 . 18901 1 15 . 1 1 6 6 PHE N N 15 117.872 0.000 . . . . . A 6 PHE N . 18901 1 16 . 1 1 7 7 PRO HG2 H 1 1.982 0.000 . . . . . A 7 PRO QG . 18901 1 17 . 1 1 7 7 PRO HG3 H 1 1.982 0.000 . . . . . A 7 PRO QG . 18901 1 18 . 1 1 7 7 PRO HD2 H 1 3.652 0.000 . . . . . A 7 PRO HD2 . 18901 1 19 . 1 1 7 7 PRO HD3 H 1 3.824 0.000 . . . . . A 7 PRO HD3 . 18901 1 20 . 1 1 7 7 PRO CA C 13 4.186 0.000 . . . . . A 7 PRO CA . 18901 1 21 . 1 1 7 7 PRO CG C 13 27.621 0.000 . . . . . A 7 PRO CG . 18901 1 22 . 1 1 7 7 PRO CD C 13 50.738 0.000 . . . . . A 7 PRO CD . 18901 1 23 . 1 1 8 8 GLY H H 1 7.927 0.000 . . . . . A 8 GLY H . 18901 1 24 . 1 1 8 8 GLY HA2 H 1 3.898 0.000 . . . . . A 8 GLY HA2 . 18901 1 25 . 1 1 8 8 GLY HA3 H 1 4.281 0.000 . . . . . A 8 GLY HA3 . 18901 1 26 . 1 1 8 8 GLY CA C 13 44.176 0.000 . . . . . A 8 GLY CA . 18901 1 27 . 1 1 8 8 GLY N N 15 101.657 0.000 . . . . . A 8 GLY N . 18901 1 28 . 1 1 9 9 ALA H H 1 8.235 0.000 . . . . . A 9 ALA H . 18901 1 29 . 1 1 9 9 ALA HA H 1 4.865 0.000 . . . . . A 9 ALA HA . 18901 1 30 . 1 1 9 9 ALA HB1 H 1 1.307 0.000 . . . . . A 9 ALA QB . 18901 1 31 . 1 1 9 9 ALA HB2 H 1 1.307 0.000 . . . . . A 9 ALA QB . 18901 1 32 . 1 1 9 9 ALA HB3 H 1 1.307 0.000 . . . . . A 9 ALA QB . 18901 1 33 . 1 1 9 9 ALA CA C 13 50.198 0.000 . . . . . A 9 ALA CA . 18901 1 34 . 1 1 9 9 ALA CB C 13 18.937 0.000 . . . . . A 9 ALA CB . 18901 1 35 . 1 1 9 9 ALA N N 15 120.767 0.000 . . . . . A 9 ALA N . 18901 1 36 . 1 1 10 10 PRO HA H 1 4.357 0.000 . . . . . A 10 PRO HA . 18901 1 37 . 1 1 10 10 PRO HB2 H 1 2.272 0.000 . . . . . A 10 PRO HB2 . 18901 1 38 . 1 1 10 10 PRO HB3 H 1 1.493 0.000 . . . . . A 10 PRO HB3 . 18901 1 39 . 1 1 10 10 PRO HG2 H 1 1.622 0.000 . . . . . A 10 PRO QG . 18901 1 40 . 1 1 10 10 PRO HG3 H 1 1.622 0.000 . . . . . A 10 PRO QG . 18901 1 41 . 1 1 10 10 PRO HD2 H 1 3.760 0.000 . . . . . A 10 PRO HD2 . 18901 1 42 . 1 1 10 10 PRO HD3 H 1 4.291 0.000 . . . . . A 10 PRO HD3 . 18901 1 43 . 1 1 10 10 PRO CA C 13 63.312 0.000 . . . . . A 10 PRO CA . 18901 1 44 . 1 1 10 10 PRO CB C 13 32.811 0.000 . . . . . A 10 PRO CB . 18901 1 45 . 1 1 10 10 PRO CG C 13 28.664 0.000 . . . . . A 10 PRO CG . 18901 1 46 . 1 1 10 10 PRO CD C 13 50.283 0.000 . . . . . A 10 PRO CD . 18901 1 47 . 1 1 11 11 CYS H H 1 8.084 0.000 . . . . . A 11 CYS H . 18901 1 48 . 1 1 11 11 CYS HA H 1 4.938 0.000 . . . . . A 11 CYS HA . 18901 1 49 . 1 1 11 11 CYS HB2 H 1 2.836 0.000 . . . . . A 11 CYS HB2 . 18901 1 50 . 1 1 11 11 CYS HB3 H 1 2.931 0.000 . . . . . A 11 CYS HB3 . 18901 1 51 . 1 1 11 11 CYS C C 13 172.706 0.000 . . . . . A 11 CYS C . 18901 1 52 . 1 1 11 11 CYS CA C 13 56.838 0.000 . . . . . A 11 CYS CA . 18901 1 53 . 1 1 11 11 CYS CB C 13 32.139 0.000 . . . . . A 11 CYS CB . 18901 1 54 . 1 1 11 11 CYS N N 15 114.905 0.000 . . . . . A 11 CYS N . 18901 1 55 . 1 1 12 12 ALA H H 1 8.535 0.000 . . . . . A 12 ALA H . 18901 1 56 . 1 1 12 12 ALA HA H 1 3.927 0.000 . . . . . A 12 ALA HA . 18901 1 57 . 1 1 12 12 ALA HB1 H 1 1.244 0.000 . . . . . A 12 ALA QB . 18901 1 58 . 1 1 12 12 ALA HB2 H 1 1.244 0.000 . . . . . A 12 ALA QB . 18901 1 59 . 1 1 12 12 ALA HB3 H 1 1.244 0.000 . . . . . A 12 ALA QB . 18901 1 60 . 1 1 12 12 ALA C C 13 176.005 0.000 . . . . . A 12 ALA C . 18901 1 61 . 1 1 12 12 ALA CA C 13 52.764 0.000 . . . . . A 12 ALA CA . 18901 1 62 . 1 1 12 12 ALA CB C 13 17.596 0.000 . . . . . A 12 ALA CB . 18901 1 63 . 1 1 12 12 ALA N N 15 120.844 0.000 . . . . . A 12 ALA N . 18901 1 64 . 1 1 13 13 ILE H H 1 7.802 0.000 . . . . . A 13 ILE H . 18901 1 65 . 1 1 13 13 ILE HA H 1 4.453 0.000 . . . . . A 13 ILE HA . 18901 1 66 . 1 1 13 13 ILE HB H 1 1.681 0.000 . . . . . A 13 ILE HB . 18901 1 67 . 1 1 13 13 ILE HG12 H 1 1.335 0.000 . . . . . A 13 ILE HG12 . 18901 1 68 . 1 1 13 13 ILE HG13 H 1 1.032 0.000 . . . . . A 13 ILE HG13 . 18901 1 69 . 1 1 13 13 ILE HG21 H 1 0.695 0.000 . . . . . A 13 ILE QG2 . 18901 1 70 . 1 1 13 13 ILE HG22 H 1 0.695 0.000 . . . . . A 13 ILE QG2 . 18901 1 71 . 1 1 13 13 ILE HG23 H 1 0.695 0.000 . . . . . A 13 ILE QG2 . 18901 1 72 . 1 1 13 13 ILE HD11 H 1 0.582 0.000 . . . . . A 13 ILE QD1 . 18901 1 73 . 1 1 13 13 ILE HD12 H 1 0.582 0.000 . . . . . A 13 ILE QD1 . 18901 1 74 . 1 1 13 13 ILE HD13 H 1 0.582 0.000 . . . . . A 13 ILE QD1 . 18901 1 75 . 1 1 13 13 ILE C C 13 177.506 0.000 . . . . . A 13 ILE C . 18901 1 76 . 1 1 13 13 ILE CA C 13 62.335 0.000 . . . . . A 13 ILE CA . 18901 1 77 . 1 1 13 13 ILE CB C 13 37.868 0.000 . . . . . A 13 ILE CB . 18901 1 78 . 1 1 13 13 ILE CG1 C 13 29.783 0.000 . . . . . A 13 ILE CG1 . 18901 1 79 . 1 1 13 13 ILE CG2 C 13 18.901 0.000 . . . . . A 13 ILE CG2 . 18901 1 80 . 1 1 13 13 ILE CD1 C 13 14.509 0.000 . . . . . A 13 ILE CD1 . 18901 1 81 . 1 1 13 13 ILE N N 15 116.800 0.000 . . . . . A 13 ILE N . 18901 1 82 . 1 1 14 14 LYS H H 1 9.249 0.000 . . . . . A 14 LYS H . 18901 1 83 . 1 1 14 14 LYS HA H 1 4.597 0.000 . . . . . A 14 LYS HA . 18901 1 84 . 1 1 14 14 LYS HB2 H 1 1.594 0.000 . . . . . A 14 LYS HB2 . 18901 1 85 . 1 1 14 14 LYS HB3 H 1 1.649 0.000 . . . . . A 14 LYS HB3 . 18901 1 86 . 1 1 14 14 LYS HG2 H 1 1.320 0.000 . . . . . A 14 LYS HG2 . 18901 1 87 . 1 1 14 14 LYS HG3 H 1 1.237 0.000 . . . . . A 14 LYS HG3 . 18901 1 88 . 1 1 14 14 LYS HD2 H 1 1.529 0.000 . . . . . A 14 LYS QD . 18901 1 89 . 1 1 14 14 LYS HD3 H 1 1.529 0.000 . . . . . A 14 LYS QD . 18901 1 90 . 1 1 14 14 LYS HE2 H 1 2.879 0.000 . . . . . A 14 LYS QE . 18901 1 91 . 1 1 14 14 LYS HE3 H 1 2.879 0.000 . . . . . A 14 LYS QE . 18901 1 92 . 1 1 14 14 LYS C C 13 175.508 0.000 . . . . . A 14 LYS C . 18901 1 93 . 1 1 14 14 LYS CA C 13 55.552 0.000 . . . . . A 14 LYS CA . 18901 1 94 . 1 1 14 14 LYS CB C 13 35.288 0.000 . . . . . A 14 LYS CB . 18901 1 95 . 1 1 14 14 LYS CG C 13 24.825 0.000 . . . . . A 14 LYS CG . 18901 1 96 . 1 1 14 14 LYS CD C 13 29.172 0.000 . . . . . A 14 LYS CD . 18901 1 97 . 1 1 14 14 LYS CE C 13 42.387 0.000 . . . . . A 14 LYS CE . 18901 1 98 . 1 1 14 14 LYS N N 15 129.030 0.000 . . . . . A 14 LYS N . 18901 1 99 . 1 1 15 15 ILE H H 1 8.231 0.000 . . . . . A 15 ILE H . 18901 1 100 . 1 1 15 15 ILE HA H 1 4.584 0.000 . . . . . A 15 ILE HA . 18901 1 101 . 1 1 15 15 ILE HB H 1 1.054 0.000 . . . . . A 15 ILE HB . 18901 1 102 . 1 1 15 15 ILE HG12 H 1 0.309 0.000 . . . . . A 15 ILE HG12 . 18901 1 103 . 1 1 15 15 ILE HG13 H 1 1.194 0.000 . . . . . A 15 ILE HG13 . 18901 1 104 . 1 1 15 15 ILE HG21 H 1 -0.542 0.000 . . . . . A 15 ILE QG2 . 18901 1 105 . 1 1 15 15 ILE HG22 H 1 -0.542 0.000 . . . . . A 15 ILE QG2 . 18901 1 106 . 1 1 15 15 ILE HG23 H 1 -0.542 0.000 . . . . . A 15 ILE QG2 . 18901 1 107 . 1 1 15 15 ILE HD11 H 1 0.405 0.000 . . . . . A 15 ILE QD1 . 18901 1 108 . 1 1 15 15 ILE HD12 H 1 0.405 0.000 . . . . . A 15 ILE QD1 . 18901 1 109 . 1 1 15 15 ILE HD13 H 1 0.405 0.000 . . . . . A 15 ILE QD1 . 18901 1 110 . 1 1 15 15 ILE C C 13 175.983 0.000 . . . . . A 15 ILE C . 18901 1 111 . 1 1 15 15 ILE CA C 13 60.808 0.000 . . . . . A 15 ILE CA . 18901 1 112 . 1 1 15 15 ILE CB C 13 40.620 0.000 . . . . . A 15 ILE CB . 18901 1 113 . 1 1 15 15 ILE CG1 C 13 27.554 0.000 . . . . . A 15 ILE CG1 . 18901 1 114 . 1 1 15 15 ILE CG2 C 13 16.541 0.000 . . . . . A 15 ILE CG2 . 18901 1 115 . 1 1 15 15 ILE CD1 C 13 14.816 0.000 . . . . . A 15 ILE CD1 . 18901 1 116 . 1 1 15 15 ILE N N 15 121.333 0.000 . . . . . A 15 ILE N . 18901 1 117 . 1 1 16 16 SER H H 1 8.694 0.000 . . . . . A 16 SER H . 18901 1 118 . 1 1 16 16 SER HA H 1 4.933 0.000 . . . . . A 16 SER HA . 18901 1 119 . 1 1 16 16 SER HB2 H 1 3.777 0.000 . . . . . A 16 SER QB . 18901 1 120 . 1 1 16 16 SER HB3 H 1 3.777 0.000 . . . . . A 16 SER QB . 18901 1 121 . 1 1 16 16 SER C C 13 173.725 0.000 . . . . . A 16 SER C . 18901 1 122 . 1 1 16 16 SER CA C 13 56.656 0.000 . . . . . A 16 SER CA . 18901 1 123 . 1 1 16 16 SER CB C 13 65.750 0.000 . . . . . A 16 SER CB . 18901 1 124 . 1 1 16 16 SER N N 15 120.251 0.000 . . . . . A 16 SER N . 18901 1 125 . 1 1 17 17 LYS H H 1 8.985 0.000 . . . . . A 17 LYS H . 18901 1 126 . 1 1 17 17 LYS HA H 1 4.660 0.000 . . . . . A 17 LYS HA . 18901 1 127 . 1 1 17 17 LYS HB2 H 1 2.064 0.000 . . . . . A 17 LYS HB2 . 18901 1 128 . 1 1 17 17 LYS HB3 H 1 1.998 0.000 . . . . . A 17 LYS HB3 . 18901 1 129 . 1 1 17 17 LYS HG2 H 1 1.621 0.000 . . . . . A 17 LYS QG . 18901 1 130 . 1 1 17 17 LYS HG3 H 1 1.621 0.000 . . . . . A 17 LYS QG . 18901 1 131 . 1 1 17 17 LYS HD2 H 1 1.777 0.000 . . . . . A 17 LYS HD2 . 18901 1 132 . 1 1 17 17 LYS HD3 H 1 1.838 0.000 . . . . . A 17 LYS HD3 . 18901 1 133 . 1 1 17 17 LYS HE2 H 1 3.021 0.000 . . . . . A 17 LYS QE . 18901 1 134 . 1 1 17 17 LYS HE3 H 1 3.021 0.000 . . . . . A 17 LYS QE . 18901 1 135 . 1 1 17 17 LYS C C 13 175.815 0.000 . . . . . A 17 LYS C . 18901 1 136 . 1 1 17 17 LYS CA C 13 57.275 0.000 . . . . . A 17 LYS CA . 18901 1 137 . 1 1 17 17 LYS CB C 13 34.566 0.000 . . . . . A 17 LYS CB . 18901 1 138 . 1 1 17 17 LYS CG C 13 25.719 0.000 . . . . . A 17 LYS CG . 18901 1 139 . 1 1 17 17 LYS CD C 13 29.678 0.000 . . . . . A 17 LYS CD . 18901 1 140 . 1 1 17 17 LYS CE C 13 42.353 0.000 . . . . . A 17 LYS CE . 18901 1 141 . 1 1 17 17 LYS N N 15 124.155 0.000 . . . . . A 17 LYS N . 18901 1 142 . 1 1 18 18 SER H H 1 8.555 0.000 . . . . . A 18 SER H . 18901 1 143 . 1 1 18 18 SER HA H 1 5.076 0.000 . . . . . A 18 SER HA . 18901 1 144 . 1 1 18 18 SER HB2 H 1 3.980 0.000 . . . . . A 18 SER HB2 . 18901 1 145 . 1 1 18 18 SER HB3 H 1 3.683 0.000 . . . . . A 18 SER HB3 . 18901 1 146 . 1 1 18 18 SER CA C 13 56.676 0.000 . . . . . A 18 SER CA . 18901 1 147 . 1 1 18 18 SER CB C 13 64.993 0.000 . . . . . A 18 SER CB . 18901 1 148 . 1 1 18 18 SER N N 15 121.663 0.000 . . . . . A 18 SER N . 18901 1 149 . 1 1 19 19 PRO HA H 1 4.334 0.000 . . . . . A 19 PRO HA . 18901 1 150 . 1 1 19 19 PRO HB2 H 1 1.841 0.000 . . . . . A 19 PRO HB2 . 18901 1 151 . 1 1 19 19 PRO HB3 H 1 2.405 0.000 . . . . . A 19 PRO HB3 . 18901 1 152 . 1 1 19 19 PRO HG2 H 1 1.965 0.000 . . . . . A 19 PRO HG2 . 18901 1 153 . 1 1 19 19 PRO HG3 H 1 2.081 0.000 . . . . . A 19 PRO HG3 . 18901 1 154 . 1 1 19 19 PRO HD3 H 1 3.820 0.000 . . . . . A 19 PRO HD3 . 18901 1 155 . 1 1 19 19 PRO C C 13 177.406 0.000 . . . . . A 19 PRO C . 18901 1 156 . 1 1 19 19 PRO CA C 13 65.489 0.000 . . . . . A 19 PRO CA . 18901 1 157 . 1 1 19 19 PRO CB C 13 32.065 0.000 . . . . . A 19 PRO CB . 18901 1 158 . 1 1 19 19 PRO CG C 13 28.187 0.000 . . . . . A 19 PRO CG . 18901 1 159 . 1 1 19 19 PRO CD C 13 49.745 0.000 . . . . . A 19 PRO CD . 18901 1 160 . 1 1 20 20 ASP H H 1 8.019 0.000 . . . . . A 20 ASP H . 18901 1 161 . 1 1 20 20 ASP HA H 1 4.679 0.000 . . . . . A 20 ASP HA . 18901 1 162 . 1 1 20 20 ASP HB2 H 1 2.736 0.000 . . . . . A 20 ASP HB2 . 18901 1 163 . 1 1 20 20 ASP HB3 H 1 2.587 0.000 . . . . . A 20 ASP HB3 . 18901 1 164 . 1 1 20 20 ASP C C 13 176.667 0.000 . . . . . A 20 ASP C . 18901 1 165 . 1 1 20 20 ASP CA C 13 53.558 0.000 . . . . . A 20 ASP CA . 18901 1 166 . 1 1 20 20 ASP CB C 13 41.423 0.000 . . . . . A 20 ASP CB . 18901 1 167 . 1 1 20 20 ASP N N 15 110.573 0.000 . . . . . A 20 ASP N . 18901 1 168 . 1 1 21 21 GLY H H 1 7.623 0.000 . . . . . A 21 GLY H . 18901 1 169 . 1 1 21 21 GLY HA2 H 1 4.881 0.000 . . . . . A 21 GLY HA2 . 18901 1 170 . 1 1 21 21 GLY HA3 H 1 3.619 0.000 . . . . . A 21 GLY HA3 . 18901 1 171 . 1 1 21 21 GLY C C 13 172.365 0.000 . . . . . A 21 GLY C . 18901 1 172 . 1 1 21 21 GLY CA C 13 45.730 0.000 . . . . . A 21 GLY CA . 18901 1 173 . 1 1 21 21 GLY N N 15 107.592 0.000 . . . . . A 21 GLY N . 18901 1 174 . 1 1 22 22 ALA H H 1 8.704 0.000 . . . . . A 22 ALA H . 18901 1 175 . 1 1 22 22 ALA HA H 1 4.787 0.000 . . . . . A 22 ALA HA . 18901 1 176 . 1 1 22 22 ALA HB1 H 1 0.777 0.000 . . . . . A 22 ALA QB . 18901 1 177 . 1 1 22 22 ALA HB2 H 1 0.777 0.000 . . . . . A 22 ALA QB . 18901 1 178 . 1 1 22 22 ALA HB3 H 1 0.777 0.000 . . . . . A 22 ALA QB . 18901 1 179 . 1 1 22 22 ALA C C 13 175.801 0.000 . . . . . A 22 ALA C . 18901 1 180 . 1 1 22 22 ALA CA C 13 50.779 0.000 . . . . . A 22 ALA CA . 18901 1 181 . 1 1 22 22 ALA CB C 13 21.134 0.000 . . . . . A 22 ALA CB . 18901 1 182 . 1 1 22 22 ALA N N 15 123.764 0.000 . . . . . A 22 ALA N . 18901 1 183 . 1 1 23 23 HIS H H 1 9.088 0.000 . . . . . A 23 HIS H . 18901 1 184 . 1 1 23 23 HIS HA H 1 4.981 0.000 . . . . . A 23 HIS HA . 18901 1 185 . 1 1 23 23 HIS HB2 H 1 3.045 0.000 . . . . . A 23 HIS HB2 . 18901 1 186 . 1 1 23 23 HIS HB3 H 1 2.886 0.000 . . . . . A 23 HIS HB3 . 18901 1 187 . 1 1 23 23 HIS C C 13 174.199 0.000 . . . . . A 23 HIS C . 18901 1 188 . 1 1 23 23 HIS CA C 13 54.267 0.000 . . . . . A 23 HIS CA . 18901 1 189 . 1 1 23 23 HIS CB C 13 29.989 0.000 . . . . . A 23 HIS CB . 18901 1 190 . 1 1 23 23 HIS N N 15 120.666 0.000 . . . . . A 23 HIS N . 18901 1 191 . 1 1 24 24 LEU H H 1 8.702 0.000 . . . . . A 24 LEU H . 18901 1 192 . 1 1 24 24 LEU HA H 1 5.180 0.000 . . . . . A 24 LEU HA . 18901 1 193 . 1 1 24 24 LEU HB2 H 1 1.441 0.000 . . . . . A 24 LEU HB2 . 18901 1 194 . 1 1 24 24 LEU HB3 H 1 1.701 0.000 . . . . . A 24 LEU HB3 . 18901 1 195 . 1 1 24 24 LEU HG H 1 1.090 0.000 . . . . . A 24 LEU HG . 18901 1 196 . 1 1 24 24 LEU HD11 H 1 -0.239 0.000 . . . . . A 24 LEU QD1 . 18901 1 197 . 1 1 24 24 LEU HD12 H 1 -0.239 0.000 . . . . . A 24 LEU QD1 . 18901 1 198 . 1 1 24 24 LEU HD13 H 1 -0.239 0.000 . . . . . A 24 LEU QD1 . 18901 1 199 . 1 1 24 24 LEU HD21 H 1 0.059 0.000 . . . . . A 24 LEU QD2 . 18901 1 200 . 1 1 24 24 LEU HD22 H 1 0.059 0.000 . . . . . A 24 LEU QD2 . 18901 1 201 . 1 1 24 24 LEU HD23 H 1 0.059 0.000 . . . . . A 24 LEU QD2 . 18901 1 202 . 1 1 24 24 LEU C C 13 176.430 0.000 . . . . . A 24 LEU C . 18901 1 203 . 1 1 24 24 LEU CA C 13 55.528 0.000 . . . . . A 24 LEU CA . 18901 1 204 . 1 1 24 24 LEU CB C 13 44.957 0.000 . . . . . A 24 LEU CB . 18901 1 205 . 1 1 24 24 LEU CG C 13 30.288 0.000 . . . . . A 24 LEU CG . 18901 1 206 . 1 1 24 24 LEU CD1 C 13 26.356 0.000 . . . . . A 24 LEU CD1 . 18901 1 207 . 1 1 24 24 LEU CD2 C 13 24.933 0.000 . . . . . A 24 LEU CD2 . 18901 1 208 . 1 1 24 24 LEU N N 15 127.467 0.000 . . . . . A 24 LEU N . 18901 1 209 . 1 1 25 25 THR H H 1 8.643 0.000 . . . . . A 25 THR H . 18901 1 210 . 1 1 25 25 THR HA H 1 4.186 0.000 . . . . . A 25 THR HA . 18901 1 211 . 1 1 25 25 THR HB H 1 3.941 0.000 . . . . . A 25 THR HB . 18901 1 212 . 1 1 25 25 THR HG21 H 1 0.873 0.000 . . . . . A 25 THR QG2 . 18901 1 213 . 1 1 25 25 THR HG22 H 1 0.873 0.000 . . . . . A 25 THR QG2 . 18901 1 214 . 1 1 25 25 THR HG23 H 1 0.873 0.000 . . . . . A 25 THR QG2 . 18901 1 215 . 1 1 25 25 THR C C 13 172.720 0.000 . . . . . A 25 THR C . 18901 1 216 . 1 1 25 25 THR CA C 13 60.798 0.000 . . . . . A 25 THR CA . 18901 1 217 . 1 1 25 25 THR CB C 13 72.021 0.000 . . . . . A 25 THR CB . 18901 1 218 . 1 1 25 25 THR CG2 C 13 21.679 0.000 . . . . . A 25 THR CG2 . 18901 1 219 . 1 1 25 25 THR N N 15 111.459 0.000 . . . . . A 25 THR N . 18901 1 220 . 1 1 26 26 TRP H H 1 7.301 0.000 . . . . . A 26 TRP H . 18901 1 221 . 1 1 26 26 TRP HA H 1 5.033 0.000 . . . . . A 26 TRP HA . 18901 1 222 . 1 1 26 26 TRP HB2 H 1 3.270 0.000 . . . . . A 26 TRP HB2 . 18901 1 223 . 1 1 26 26 TRP HB3 H 1 3.031 0.000 . . . . . A 26 TRP HB3 . 18901 1 224 . 1 1 26 26 TRP HD1 H 1 6.478 0.000 . . . . . A 26 TRP HD1 . 18901 1 225 . 1 1 26 26 TRP HE3 H 1 7.188 0.000 . . . . . A 26 TRP HE3 . 18901 1 226 . 1 1 26 26 TRP HZ2 H 1 6.580 0.000 . . . . . A 26 TRP HZ2 . 18901 1 227 . 1 1 26 26 TRP HZ3 H 1 6.340 0.000 . . . . . A 26 TRP HZ3 . 18901 1 228 . 1 1 26 26 TRP HH2 H 1 6.480 0.000 . . . . . A 26 TRP HH2 . 18901 1 229 . 1 1 26 26 TRP C C 13 173.425 0.000 . . . . . A 26 TRP C . 18901 1 230 . 1 1 26 26 TRP CA C 13 56.687 0.000 . . . . . A 26 TRP CA . 18901 1 231 . 1 1 26 26 TRP CB C 13 30.157 0.000 . . . . . A 26 TRP CB . 18901 1 232 . 1 1 26 26 TRP CD1 C 13 123.045 0.000 . . . . . A 26 TRP CD1 . 18901 1 233 . 1 1 26 26 TRP CE3 C 13 118.280 0.000 . . . . . A 26 TRP CE3 . 18901 1 234 . 1 1 26 26 TRP CZ2 C 13 117.571 0.000 . . . . . A 26 TRP CZ2 . 18901 1 235 . 1 1 26 26 TRP CZ3 C 13 122.590 0.000 . . . . . A 26 TRP CZ3 . 18901 1 236 . 1 1 26 26 TRP CH2 C 13 119.590 0.000 . . . . . A 26 TRP CH2 . 18901 1 237 . 1 1 26 26 TRP N N 15 117.073 0.000 . . . . . A 26 TRP N . 18901 1 238 . 1 1 26 26 TRP NE1 N 15 115.620 0.000 . . . . . A 26 TRP NE1 . 18901 1 239 . 1 1 27 27 GLU H H 1 8.753 0.000 . . . . . A 27 GLU H . 18901 1 240 . 1 1 27 27 GLU HA H 1 4.822 0.000 . . . . . A 27 GLU HA . 18901 1 241 . 1 1 27 27 GLU HB2 H 1 2.053 0.000 . . . . . A 27 GLU HB2 . 18901 1 242 . 1 1 27 27 GLU HB3 H 1 1.761 0.000 . . . . . A 27 GLU HB3 . 18901 1 243 . 1 1 27 27 GLU HG2 H 1 2.265 0.000 . . . . . A 27 GLU QG . 18901 1 244 . 1 1 27 27 GLU HG3 H 1 2.265 0.000 . . . . . A 27 GLU QG . 18901 1 245 . 1 1 27 27 GLU CA C 13 52.889 0.000 . . . . . A 27 GLU CA . 18901 1 246 . 1 1 27 27 GLU CB C 13 30.830 0.000 . . . . . A 27 GLU CB . 18901 1 247 . 1 1 27 27 GLU CG C 13 36.049 0.000 . . . . . A 27 GLU CG . 18901 1 248 . 1 1 27 27 GLU N N 15 115.563 0.000 . . . . . A 27 GLU N . 18901 1 249 . 1 1 28 28 PRO HA H 1 4.339 0.000 . . . . . A 28 PRO HA . 18901 1 250 . 1 1 28 28 PRO HB2 H 1 1.857 0.000 . . . . . A 28 PRO QB . 18901 1 251 . 1 1 28 28 PRO HB3 H 1 1.857 0.000 . . . . . A 28 PRO QB . 18901 1 252 . 1 1 28 28 PRO HG2 H 1 1.957 0.000 . . . . . A 28 PRO HG2 . 18901 1 253 . 1 1 28 28 PRO HG3 H 1 2.012 0.000 . . . . . A 28 PRO HG3 . 18901 1 254 . 1 1 28 28 PRO HD2 H 1 3.658 0.000 . . . . . A 28 PRO HD2 . 18901 1 255 . 1 1 28 28 PRO HD3 H 1 3.773 0.000 . . . . . A 28 PRO HD3 . 18901 1 256 . 1 1 28 28 PRO CA C 13 65.547 0.000 . . . . . A 28 PRO CA . 18901 1 257 . 1 1 28 28 PRO CB C 13 32.141 0.000 . . . . . A 28 PRO CB . 18901 1 258 . 1 1 28 28 PRO CG C 13 27.615 0.000 . . . . . A 28 PRO CG . 18901 1 259 . 1 1 28 28 PRO CD C 13 50.690 0.000 . . . . . A 28 PRO CD . 18901 1 260 . 1 1 29 29 PRO HA H 1 4.285 0.000 . . . . . A 29 PRO HA . 18901 1 261 . 1 1 29 29 PRO HB2 H 1 1.820 0.000 . . . . . A 29 PRO HB2 . 18901 1 262 . 1 1 29 29 PRO HB3 H 1 2.226 0.000 . . . . . A 29 PRO HB3 . 18901 1 263 . 1 1 29 29 PRO HG2 H 1 2.203 0.000 . . . . . A 29 PRO QG . 18901 1 264 . 1 1 29 29 PRO HG3 H 1 2.203 0.000 . . . . . A 29 PRO QG . 18901 1 265 . 1 1 29 29 PRO HD2 H 1 3.837 0.000 . . . . . A 29 PRO HD2 . 18901 1 266 . 1 1 29 29 PRO HD3 H 1 3.490 0.000 . . . . . A 29 PRO HD3 . 18901 1 267 . 1 1 29 29 PRO CA C 13 61.980 0.000 . . . . . A 29 PRO CA . 18901 1 268 . 1 1 29 29 PRO CB C 13 32.884 0.000 . . . . . A 29 PRO CB . 18901 1 269 . 1 1 29 29 PRO CG C 13 27.936 0.000 . . . . . A 29 PRO CG . 18901 1 270 . 1 1 29 29 PRO CD C 13 49.775 0.000 . . . . . A 29 PRO CD . 18901 1 271 . 1 1 30 30 SER H H 1 8.317 0.000 . . . . . A 30 SER H . 18901 1 272 . 1 1 30 30 SER HA H 1 3.910 0.000 . . . . . A 30 SER HA . 18901 1 273 . 1 1 30 30 SER HB2 H 1 3.376 0.000 . . . . . A 30 SER HB2 . 18901 1 274 . 1 1 30 30 SER CA C 13 56.967 0.000 . . . . . A 30 SER CA . 18901 1 275 . 1 1 30 30 SER CB C 13 64.771 0.000 . . . . . A 30 SER CB . 18901 1 276 . 1 1 30 30 SER N N 15 110.838 0.000 . . . . . A 30 SER N . 18901 1 277 . 1 1 31 31 VAL H H 1 8.320 0.000 . . . . . A 31 VAL H . 18901 1 278 . 1 1 31 31 VAL HA H 1 4.208 0.000 . . . . . A 31 VAL HA . 18901 1 279 . 1 1 31 31 VAL HB H 1 1.980 0.000 . . . . . A 31 VAL HB . 18901 1 280 . 1 1 31 31 VAL HG11 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 281 . 1 1 31 31 VAL HG12 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 282 . 1 1 31 31 VAL HG13 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 283 . 1 1 31 31 VAL HG21 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 284 . 1 1 31 31 VAL HG22 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 285 . 1 1 31 31 VAL HG23 H 1 0.848 0.000 . . . . . A 31 VAL QQG . 18901 1 286 . 1 1 31 31 VAL CA C 13 61.780 0.000 . . . . . A 31 VAL CA . 18901 1 287 . 1 1 31 31 VAL CB C 13 32.771 0.000 . . . . . A 31 VAL CB . 18901 1 288 . 1 1 31 31 VAL CG1 C 13 21.236 0.000 . . . . . A 31 VAL CG1 . 18901 1 289 . 1 1 31 31 VAL CG2 C 13 21.232 0.000 . . . . . A 31 VAL CG2 . 18901 1 290 . 1 1 31 31 VAL N N 15 114.209 0.000 . . . . . A 31 VAL N . 18901 1 291 . 1 1 32 32 THR H H 1 7.828 0.000 . . . . . A 32 THR H . 18901 1 292 . 1 1 32 32 THR HA H 1 4.179 0.000 . . . . . A 32 THR HA . 18901 1 293 . 1 1 32 32 THR HB H 1 3.910 0.000 . . . . . A 32 THR HB . 18901 1 294 . 1 1 32 32 THR HG21 H 1 0.881 0.000 . . . . . A 32 THR QG2 . 18901 1 295 . 1 1 32 32 THR HG22 H 1 0.881 0.000 . . . . . A 32 THR QG2 . 18901 1 296 . 1 1 32 32 THR HG23 H 1 0.881 0.000 . . . . . A 32 THR QG2 . 18901 1 297 . 1 1 32 32 THR CA C 13 60.465 0.000 . . . . . A 32 THR CA . 18901 1 298 . 1 1 32 32 THR CB C 13 63.211 0.000 . . . . . A 32 THR CB . 18901 1 299 . 1 1 32 32 THR CG2 C 13 20.879 0.000 . . . . . A 32 THR CG2 . 18901 1 300 . 1 1 32 32 THR N N 15 119.600 0.000 . . . . . A 32 THR N . 18901 1 301 . 1 1 33 33 SER H H 1 8.292 0.000 . . . . . A 33 SER H . 18901 1 302 . 1 1 33 33 SER HA H 1 4.179 0.000 . . . . . A 33 SER HA . 18901 1 303 . 1 1 33 33 SER HB2 H 1 4.192 0.000 . . . . . A 33 SER QB . 18901 1 304 . 1 1 33 33 SER HB3 H 1 4.192 0.000 . . . . . A 33 SER QB . 18901 1 305 . 1 1 33 33 SER C C 13 174.332 0.000 . . . . . A 33 SER C . 18901 1 306 . 1 1 33 33 SER CA C 13 60.428 0.000 . . . . . A 33 SER CA . 18901 1 307 . 1 1 33 33 SER CB C 13 62.209 0.000 . . . . . A 33 SER CB . 18901 1 308 . 1 1 33 33 SER N N 15 115.967 0.000 . . . . . A 33 SER N . 18901 1 309 . 1 1 34 34 GLY H H 1 7.848 0.000 . . . . . A 34 GLY H . 18901 1 310 . 1 1 34 34 GLY HA2 H 1 4.521 0.000 . . . . . A 34 GLY HA2 . 18901 1 311 . 1 1 34 34 GLY HA3 H 1 3.621 0.000 . . . . . A 34 GLY HA3 . 18901 1 312 . 1 1 34 34 GLY C C 13 173.709 0.000 . . . . . A 34 GLY C . 18901 1 313 . 1 1 34 34 GLY CA C 13 44.371 0.000 . . . . . A 34 GLY CA . 18901 1 314 . 1 1 34 34 GLY N N 15 106.879 0.000 . . . . . A 34 GLY N . 18901 1 315 . 1 1 35 35 LYS H H 1 8.628 0.000 . . . . . A 35 LYS H . 18901 1 316 . 1 1 35 35 LYS HA H 1 4.310 0.000 . . . . . A 35 LYS HA . 18901 1 317 . 1 1 35 35 LYS HB2 H 1 1.603 0.000 . . . . . A 35 LYS QB . 18901 1 318 . 1 1 35 35 LYS HB3 H 1 1.603 0.000 . . . . . A 35 LYS QB . 18901 1 319 . 1 1 35 35 LYS HG2 H 1 1.316 0.000 . . . . . A 35 LYS HG2 . 18901 1 320 . 1 1 35 35 LYS HG3 H 1 1.216 0.000 . . . . . A 35 LYS HG3 . 18901 1 321 . 1 1 35 35 LYS HD2 H 1 1.581 0.000 . . . . . A 35 LYS QD . 18901 1 322 . 1 1 35 35 LYS HD3 H 1 1.581 0.000 . . . . . A 35 LYS QD . 18901 1 323 . 1 1 35 35 LYS HE2 H 1 2.879 0.000 . . . . . A 35 LYS QE . 18901 1 324 . 1 1 35 35 LYS HE3 H 1 2.879 0.000 . . . . . A 35 LYS QE . 18901 1 325 . 1 1 35 35 LYS C C 13 176.262 0.000 . . . . . A 35 LYS C . 18901 1 326 . 1 1 35 35 LYS CA C 13 55.671 0.000 . . . . . A 35 LYS CA . 18901 1 327 . 1 1 35 35 LYS CB C 13 34.247 0.000 . . . . . A 35 LYS CB . 18901 1 328 . 1 1 35 35 LYS CG C 13 24.850 0.000 . . . . . A 35 LYS CG . 18901 1 329 . 1 1 35 35 LYS CD C 13 29.324 0.000 . . . . . A 35 LYS CD . 18901 1 330 . 1 1 35 35 LYS CE C 13 42.390 0.000 . . . . . A 35 LYS CE . 18901 1 331 . 1 1 35 35 LYS N N 15 122.205 0.000 . . . . . A 35 LYS N . 18901 1 332 . 1 1 36 36 ILE H H 1 8.344 0.000 . . . . . A 36 ILE H . 18901 1 333 . 1 1 36 36 ILE HA H 1 4.121 0.000 . . . . . A 36 ILE HA . 18901 1 334 . 1 1 36 36 ILE HB H 1 1.982 0.000 . . . . . A 36 ILE HB . 18901 1 335 . 1 1 36 36 ILE HG12 H 1 1.595 0.000 . . . . . A 36 ILE HG12 . 18901 1 336 . 1 1 36 36 ILE HG13 H 1 1.354 0.000 . . . . . A 36 ILE HG13 . 18901 1 337 . 1 1 36 36 ILE HG21 H 1 0.406 0.000 . . . . . A 36 ILE QG2 . 18901 1 338 . 1 1 36 36 ILE HG22 H 1 0.406 0.000 . . . . . A 36 ILE QG2 . 18901 1 339 . 1 1 36 36 ILE HG23 H 1 0.406 0.000 . . . . . A 36 ILE QG2 . 18901 1 340 . 1 1 36 36 ILE HD11 H 1 0.605 0.000 . . . . . A 36 ILE QD1 . 18901 1 341 . 1 1 36 36 ILE HD12 H 1 0.605 0.000 . . . . . A 36 ILE QD1 . 18901 1 342 . 1 1 36 36 ILE HD13 H 1 0.605 0.000 . . . . . A 36 ILE QD1 . 18901 1 343 . 1 1 36 36 ILE C C 13 177.751 0.000 . . . . . A 36 ILE C . 18901 1 344 . 1 1 36 36 ILE CA C 13 58.921 0.000 . . . . . A 36 ILE CA . 18901 1 345 . 1 1 36 36 ILE CB C 13 35.312 0.000 . . . . . A 36 ILE CB . 18901 1 346 . 1 1 36 36 ILE CG1 C 13 27.315 0.000 . . . . . A 36 ILE CG1 . 18901 1 347 . 1 1 36 36 ILE CG2 C 13 17.909 0.000 . . . . . A 36 ILE CG2 . 18901 1 348 . 1 1 36 36 ILE CD1 C 13 10.505 0.000 . . . . . A 36 ILE CD1 . 18901 1 349 . 1 1 36 36 ILE N N 15 120.178 0.000 . . . . . A 36 ILE N . 18901 1 350 . 1 1 37 37 ILE H H 1 8.460 0.000 . . . . . A 37 ILE H . 18901 1 351 . 1 1 37 37 ILE HA H 1 4.217 0.000 . . . . . A 37 ILE HA . 18901 1 352 . 1 1 37 37 ILE HB H 1 1.662 0.000 . . . . . A 37 ILE HB . 18901 1 353 . 1 1 37 37 ILE HG12 H 1 0.712 0.000 . . . . . A 37 ILE HG12 . 18901 1 354 . 1 1 37 37 ILE HG13 H 1 0.983 0.000 . . . . . A 37 ILE HG13 . 18901 1 355 . 1 1 37 37 ILE HG21 H 1 0.706 0.000 . . . . . A 37 ILE QG2 . 18901 1 356 . 1 1 37 37 ILE HG22 H 1 0.706 0.000 . . . . . A 37 ILE QG2 . 18901 1 357 . 1 1 37 37 ILE HG23 H 1 0.706 0.000 . . . . . A 37 ILE QG2 . 18901 1 358 . 1 1 37 37 ILE HD11 H 1 0.569 0.000 . . . . . A 37 ILE QD1 . 18901 1 359 . 1 1 37 37 ILE HD12 H 1 0.569 0.000 . . . . . A 37 ILE QD1 . 18901 1 360 . 1 1 37 37 ILE HD13 H 1 0.569 0.000 . . . . . A 37 ILE QD1 . 18901 1 361 . 1 1 37 37 ILE C C 13 176.085 0.000 . . . . . A 37 ILE C . 18901 1 362 . 1 1 37 37 ILE CA C 13 60.942 0.000 . . . . . A 37 ILE CA . 18901 1 363 . 1 1 37 37 ILE CB C 13 39.799 0.000 . . . . . A 37 ILE CB . 18901 1 364 . 1 1 37 37 ILE CG1 C 13 26.520 0.000 . . . . . A 37 ILE CG1 . 18901 1 365 . 1 1 37 37 ILE CG2 C 13 17.675 0.000 . . . . . A 37 ILE CG2 . 18901 1 366 . 1 1 37 37 ILE CD1 C 13 13.173 0.000 . . . . . A 37 ILE CD1 . 18901 1 367 . 1 1 37 37 ILE N N 15 122.285 0.000 . . . . . A 37 ILE N . 18901 1 368 . 1 1 38 38 GLU H H 1 7.143 0.000 . . . . . A 38 GLU H . 18901 1 369 . 1 1 38 38 GLU HA H 1 4.169 0.000 . . . . . A 38 GLU HA . 18901 1 370 . 1 1 38 38 GLU HB2 H 1 1.654 0.000 . . . . . A 38 GLU HB2 . 18901 1 371 . 1 1 38 38 GLU HG2 H 1 1.878 0.000 . . . . . A 38 GLU HG2 . 18901 1 372 . 1 1 38 38 GLU HG3 H 1 2.091 0.000 . . . . . A 38 GLU HG3 . 18901 1 373 . 1 1 38 38 GLU C C 13 171.864 0.000 . . . . . A 38 GLU C . 18901 1 374 . 1 1 38 38 GLU CA C 13 55.976 0.000 . . . . . A 38 GLU CA . 18901 1 375 . 1 1 38 38 GLU CB C 13 34.480 0.000 . . . . . A 38 GLU CB . 18901 1 376 . 1 1 38 38 GLU CG C 13 37.366 0.000 . . . . . A 38 GLU CG . 18901 1 377 . 1 1 38 38 GLU N N 15 116.489 0.000 . . . . . A 38 GLU N . 18901 1 378 . 1 1 39 39 TYR H H 1 8.860 0.000 . . . . . A 39 TYR H . 18901 1 379 . 1 1 39 39 TYR HA H 1 5.695 0.000 . . . . . A 39 TYR HA . 18901 1 380 . 1 1 39 39 TYR HB2 H 1 3.159 0.000 . . . . . A 39 TYR HB2 . 18901 1 381 . 1 1 39 39 TYR HB3 H 1 3.224 0.000 . . . . . A 39 TYR HB3 . 18901 1 382 . 1 1 39 39 TYR HD1 H 1 7.178 0.000 . . . . . A 39 TYR HD1 . 18901 1 383 . 1 1 39 39 TYR HD2 H 1 7.203 0.000 . . . . . A 39 TYR HD2 . 18901 1 384 . 1 1 39 39 TYR HE1 H 1 6.784 0.000 . . . . . A 39 TYR QE . 18901 1 385 . 1 1 39 39 TYR HE2 H 1 6.784 0.000 . . . . . A 39 TYR QE . 18901 1 386 . 1 1 39 39 TYR C C 13 176.190 0.000 . . . . . A 39 TYR C . 18901 1 387 . 1 1 39 39 TYR CA C 13 56.911 0.000 . . . . . A 39 TYR CA . 18901 1 388 . 1 1 39 39 TYR CB C 13 43.736 0.000 . . . . . A 39 TYR CB . 18901 1 389 . 1 1 39 39 TYR CD1 C 13 135.032 0.000 . . . . . A 39 TYR CD1 . 18901 1 390 . 1 1 39 39 TYR CD2 C 13 131.101 0.000 . . . . . A 39 TYR CD2 . 18901 1 391 . 1 1 39 39 TYR CE1 C 13 117.138 0.000 . . . . . A 39 TYR CE1 . 18901 1 392 . 1 1 39 39 TYR CE2 C 13 117.138 0.000 . . . . . A 39 TYR CE2 . 18901 1 393 . 1 1 39 39 TYR N N 15 118.418 0.000 . . . . . A 39 TYR N . 18901 1 394 . 1 1 40 40 SER H H 1 8.705 0.000 . . . . . A 40 SER H . 18901 1 395 . 1 1 40 40 SER HA H 1 5.497 0.000 . . . . . A 40 SER HA . 18901 1 396 . 1 1 40 40 SER HB2 H 1 3.467 0.000 . . . . . A 40 SER HB2 . 18901 1 397 . 1 1 40 40 SER HB3 H 1 3.195 0.000 . . . . . A 40 SER HB3 . 18901 1 398 . 1 1 40 40 SER C C 13 172.888 0.000 . . . . . A 40 SER C . 18901 1 399 . 1 1 40 40 SER CA C 13 58.729 0.000 . . . . . A 40 SER CA . 18901 1 400 . 1 1 40 40 SER CB C 13 69.596 0.000 . . . . . A 40 SER CB . 18901 1 401 . 1 1 40 40 SER N N 15 111.613 0.000 . . . . . A 40 SER N . 18901 1 402 . 1 1 41 41 VAL H H 1 8.428 0.000 . . . . . A 41 VAL H . 18901 1 403 . 1 1 41 41 VAL HA H 1 4.836 0.000 . . . . . A 41 VAL HA . 18901 1 404 . 1 1 41 41 VAL HB H 1 1.859 0.000 . . . . . A 41 VAL HB . 18901 1 405 . 1 1 41 41 VAL HG11 H 1 0.702 0.000 . . . . . A 41 VAL QG1 . 18901 1 406 . 1 1 41 41 VAL HG12 H 1 0.702 0.000 . . . . . A 41 VAL QG1 . 18901 1 407 . 1 1 41 41 VAL HG13 H 1 0.702 0.000 . . . . . A 41 VAL QG1 . 18901 1 408 . 1 1 41 41 VAL HG21 H 1 0.629 0.000 . . . . . A 41 VAL QG2 . 18901 1 409 . 1 1 41 41 VAL HG22 H 1 0.629 0.000 . . . . . A 41 VAL QG2 . 18901 1 410 . 1 1 41 41 VAL HG23 H 1 0.629 0.000 . . . . . A 41 VAL QG2 . 18901 1 411 . 1 1 41 41 VAL C C 13 175.106 0.000 . . . . . A 41 VAL C . 18901 1 412 . 1 1 41 41 VAL CA C 13 60.666 0.000 . . . . . A 41 VAL CA . 18901 1 413 . 1 1 41 41 VAL CB C 13 34.691 0.000 . . . . . A 41 VAL CB . 18901 1 414 . 1 1 41 41 VAL CG1 C 13 23.513 0.000 . . . . . A 41 VAL CG1 . 18901 1 415 . 1 1 41 41 VAL CG2 C 13 21.509 0.000 . . . . . A 41 VAL CG2 . 18901 1 416 . 1 1 41 41 VAL N N 15 119.202 0.000 . . . . . A 41 VAL N . 18901 1 417 . 1 1 42 42 TYR H H 1 9.773 0.000 . . . . . A 42 TYR H . 18901 1 418 . 1 1 42 42 TYR HA H 1 5.496 0.000 . . . . . A 42 TYR HA . 18901 1 419 . 1 1 42 42 TYR HB2 H 1 2.893 0.000 . . . . . A 42 TYR HB2 . 18901 1 420 . 1 1 42 42 TYR HB3 H 1 2.622 0.000 . . . . . A 42 TYR HB3 . 18901 1 421 . 1 1 42 42 TYR HD1 H 1 6.655 0.000 . . . . . A 42 TYR QD . 18901 1 422 . 1 1 42 42 TYR HD2 H 1 6.655 0.000 . . . . . A 42 TYR QD . 18901 1 423 . 1 1 42 42 TYR HE1 H 1 6.502 0.000 . . . . . A 42 TYR QE . 18901 1 424 . 1 1 42 42 TYR HE2 H 1 6.502 0.000 . . . . . A 42 TYR QE . 18901 1 425 . 1 1 42 42 TYR C C 13 174.659 0.000 . . . . . A 42 TYR C . 18901 1 426 . 1 1 42 42 TYR CA C 13 55.760 0.000 . . . . . A 42 TYR CA . 18901 1 427 . 1 1 42 42 TYR CB C 13 42.396 0.000 . . . . . A 42 TYR CB . 18901 1 428 . 1 1 42 42 TYR CD1 C 13 131.029 0.000 . . . . . A 42 TYR CD1 . 18901 1 429 . 1 1 42 42 TYR CD2 C 13 131.029 0.000 . . . . . A 42 TYR CD2 . 18901 1 430 . 1 1 42 42 TYR CE1 C 13 116.357 0.000 . . . . . A 42 TYR CE1 . 18901 1 431 . 1 1 42 42 TYR CE2 C 13 116.357 0.000 . . . . . A 42 TYR CE2 . 18901 1 432 . 1 1 42 42 TYR N N 15 124.792 0.000 . . . . . A 42 TYR N . 18901 1 433 . 1 1 43 43 LEU H H 1 9.368 0.000 . . . . . A 43 LEU H . 18901 1 434 . 1 1 43 43 LEU HA H 1 5.253 0.000 . . . . . A 43 LEU HA . 18901 1 435 . 1 1 43 43 LEU HB2 H 1 1.319 0.000 . . . . . A 43 LEU HB2 . 18901 1 436 . 1 1 43 43 LEU HB3 H 1 1.762 0.000 . . . . . A 43 LEU HB3 . 18901 1 437 . 1 1 43 43 LEU HG H 1 1.402 0.000 . . . . . A 43 LEU HG . 18901 1 438 . 1 1 43 43 LEU HD11 H 1 0.598 0.000 . . . . . A 43 LEU QD1 . 18901 1 439 . 1 1 43 43 LEU HD12 H 1 0.598 0.000 . . . . . A 43 LEU QD1 . 18901 1 440 . 1 1 43 43 LEU HD13 H 1 0.598 0.000 . . . . . A 43 LEU QD1 . 18901 1 441 . 1 1 43 43 LEU HD21 H 1 0.691 0.000 . . . . . A 43 LEU QD2 . 18901 1 442 . 1 1 43 43 LEU HD22 H 1 0.691 0.000 . . . . . A 43 LEU QD2 . 18901 1 443 . 1 1 43 43 LEU HD23 H 1 0.691 0.000 . . . . . A 43 LEU QD2 . 18901 1 444 . 1 1 43 43 LEU C C 13 176.296 0.000 . . . . . A 43 LEU C . 18901 1 445 . 1 1 43 43 LEU CA C 13 53.346 0.000 . . . . . A 43 LEU CA . 18901 1 446 . 1 1 43 43 LEU CB C 13 48.549 0.000 . . . . . A 43 LEU CB . 18901 1 447 . 1 1 43 43 LEU CG C 13 27.048 0.000 . . . . . A 43 LEU CG . 18901 1 448 . 1 1 43 43 LEU CD1 C 13 24.421 0.000 . . . . . A 43 LEU CD1 . 18901 1 449 . 1 1 43 43 LEU CD2 C 13 27.845 0.000 . . . . . A 43 LEU CD2 . 18901 1 450 . 1 1 43 43 LEU N N 15 123.210 0.000 . . . . . A 43 LEU N . 18901 1 451 . 1 1 44 44 ALA H H 1 8.366 0.000 . . . . . A 44 ALA H . 18901 1 452 . 1 1 44 44 ALA HA H 1 4.324 0.000 . . . . . A 44 ALA HA . 18901 1 453 . 1 1 44 44 ALA HB1 H 1 0.841 0.000 . . . . . A 44 ALA QB . 18901 1 454 . 1 1 44 44 ALA HB2 H 1 0.841 0.000 . . . . . A 44 ALA QB . 18901 1 455 . 1 1 44 44 ALA HB3 H 1 0.841 0.000 . . . . . A 44 ALA QB . 18901 1 456 . 1 1 44 44 ALA C C 13 178.318 0.000 . . . . . A 44 ALA C . 18901 1 457 . 1 1 44 44 ALA CA C 13 51.744 0.000 . . . . . A 44 ALA CA . 18901 1 458 . 1 1 44 44 ALA CB C 13 18.649 0.000 . . . . . A 44 ALA CB . 18901 1 459 . 1 1 44 44 ALA N N 15 127.556 0.000 . . . . . A 44 ALA N . 18901 1 460 . 1 1 45 45 ILE H H 1 8.599 0.000 . . . . . A 45 ILE H . 18901 1 461 . 1 1 45 45 ILE HA H 1 4.743 0.000 . . . . . A 45 ILE HA . 18901 1 462 . 1 1 45 45 ILE HB H 1 1.875 0.000 . . . . . A 45 ILE HB . 18901 1 463 . 1 1 45 45 ILE HG12 H 1 1.208 0.000 . . . . . A 45 ILE HG12 . 18901 1 464 . 1 1 45 45 ILE HG21 H 1 0.805 0.000 . . . . . A 45 ILE QG2 . 18901 1 465 . 1 1 45 45 ILE HG22 H 1 0.805 0.000 . . . . . A 45 ILE QG2 . 18901 1 466 . 1 1 45 45 ILE HG23 H 1 0.805 0.000 . . . . . A 45 ILE QG2 . 18901 1 467 . 1 1 45 45 ILE HD11 H 1 0.759 0.000 . . . . . A 45 ILE QD1 . 18901 1 468 . 1 1 45 45 ILE HD12 H 1 0.759 0.000 . . . . . A 45 ILE QD1 . 18901 1 469 . 1 1 45 45 ILE HD13 H 1 0.759 0.000 . . . . . A 45 ILE QD1 . 18901 1 470 . 1 1 45 45 ILE C C 13 175.937 0.000 . . . . . A 45 ILE C . 18901 1 471 . 1 1 45 45 ILE CA C 13 60.120 0.000 . . . . . A 45 ILE CA . 18901 1 472 . 1 1 45 45 ILE CB C 13 41.789 0.000 . . . . . A 45 ILE CB . 18901 1 473 . 1 1 45 45 ILE CG1 C 13 26.448 0.000 . . . . . A 45 ILE CG1 . 18901 1 474 . 1 1 45 45 ILE CG2 C 13 19.310 0.000 . . . . . A 45 ILE CG2 . 18901 1 475 . 1 1 45 45 ILE CD1 C 13 14.228 0.000 . . . . . A 45 ILE CD1 . 18901 1 476 . 1 1 45 45 ILE N N 15 119.672 0.000 . . . . . A 45 ILE N . 18901 1 477 . 1 1 46 46 GLN H H 1 8.207 0.000 . . . . . A 46 GLN H . 18901 1 478 . 1 1 46 46 GLN HA H 1 4.407 0.000 . . . . . A 46 GLN HA . 18901 1 479 . 1 1 46 46 GLN HB2 H 1 1.852 0.000 . . . . . A 46 GLN HB2 . 18901 1 480 . 1 1 46 46 GLN HB3 H 1 2.007 0.000 . . . . . A 46 GLN HB3 . 18901 1 481 . 1 1 46 46 GLN HG2 H 1 2.304 0.000 . . . . . A 46 GLN HG2 . 18901 1 482 . 1 1 46 46 GLN HG3 H 1 2.258 0.000 . . . . . A 46 GLN HG3 . 18901 1 483 . 1 1 46 46 GLN HE21 H 1 6.842 0.000 . . . . . A 46 GLN HE21 . 18901 1 484 . 1 1 46 46 GLN HE22 H 1 7.335 0.000 . . . . . A 46 GLN HE22 . 18901 1 485 . 1 1 46 46 GLN C C 13 176.355 0.000 . . . . . A 46 GLN C . 18901 1 486 . 1 1 46 46 GLN CA C 13 55.814 0.000 . . . . . A 46 GLN CA . 18901 1 487 . 1 1 46 46 GLN CB C 13 29.840 0.000 . . . . . A 46 GLN CB . 18901 1 488 . 1 1 46 46 GLN CG C 13 33.738 0.000 . . . . . A 46 GLN CG . 18901 1 489 . 1 1 46 46 GLN N N 15 120.248 0.000 . . . . . A 46 GLN N . 18901 1 490 . 1 1 46 46 GLN NE2 N 15 110.528 0.000 . . . . . A 46 GLN NE2 . 18901 1 491 . 1 1 47 47 SER H H 1 8.316 0.000 . . . . . A 47 SER H . 18901 1 492 . 1 1 47 47 SER HA H 1 4.445 0.000 . . . . . A 47 SER HA . 18901 1 493 . 1 1 47 47 SER HB2 H 1 3.704 0.000 . . . . . A 47 SER HB2 . 18901 1 494 . 1 1 47 47 SER HB3 H 1 3.781 0.000 . . . . . A 47 SER HB3 . 18901 1 495 . 1 1 47 47 SER C C 13 175.100 0.000 . . . . . A 47 SER C . 18901 1 496 . 1 1 47 47 SER CA C 13 57.957 0.000 . . . . . A 47 SER CA . 18901 1 497 . 1 1 47 47 SER CB C 13 64.188 0.000 . . . . . A 47 SER CB . 18901 1 498 . 1 1 47 47 SER N N 15 117.541 0.000 . . . . . A 47 SER N . 18901 1 499 . 1 1 48 48 SER H H 1 8.096 0.000 . . . . . A 48 SER H . 18901 1 500 . 1 1 48 48 SER HA H 1 4.446 0.000 . . . . . A 48 SER HA . 18901 1 501 . 1 1 48 48 SER HB2 H 1 3.872 0.000 . . . . . A 48 SER HB2 . 18901 1 502 . 1 1 48 48 SER HB3 H 1 3.818 0.000 . . . . . A 48 SER HB3 . 18901 1 503 . 1 1 48 48 SER CA C 13 58.395 0.000 . . . . . A 48 SER CA . 18901 1 504 . 1 1 48 48 SER CB C 13 63.932 0.000 . . . . . A 48 SER CB . 18901 1 505 . 1 1 48 48 SER N N 15 116.421 0.000 . . . . . A 48 SER N . 18901 1 506 . 1 1 49 49 GLN H H 1 8.308 0.000 . . . . . A 49 GLN H . 18901 1 507 . 1 1 49 49 GLN HA H 1 4.311 0.000 . . . . . A 49 GLN HA . 18901 1 508 . 1 1 49 49 GLN HB2 H 1 2.075 0.000 . . . . . A 49 GLN HB2 . 18901 1 509 . 1 1 49 49 GLN HB3 H 1 1.919 0.000 . . . . . A 49 GLN HB3 . 18901 1 510 . 1 1 49 49 GLN HG2 H 1 2.308 0.000 . . . . . A 49 GLN QG . 18901 1 511 . 1 1 49 49 GLN HG3 H 1 2.308 0.000 . . . . . A 49 GLN QG . 18901 1 512 . 1 1 49 49 GLN C C 13 176.420 0.000 . . . . . A 49 GLN C . 18901 1 513 . 1 1 49 49 GLN CA C 13 55.842 0.000 . . . . . A 49 GLN CA . 18901 1 514 . 1 1 49 49 GLN CB C 13 29.751 0.000 . . . . . A 49 GLN CB . 18901 1 515 . 1 1 49 49 GLN CG C 13 33.871 0.000 . . . . . A 49 GLN CG . 18901 1 516 . 1 1 49 49 GLN N N 15 120.755 0.000 . . . . . A 49 GLN N . 18901 1 517 . 1 1 49 49 GLN NE2 N 15 110.921 0.000 . . . . . A 49 GLN NE2 . 18901 1 518 . 1 1 50 50 ALA H H 1 8.219 0.000 . . . . . A 50 ALA H . 18901 1 519 . 1 1 50 50 ALA HA H 1 4.312 0.000 . . . . . A 50 ALA HA . 18901 1 520 . 1 1 50 50 ALA HB1 H 1 1.353 0.000 . . . . . A 50 ALA QB . 18901 1 521 . 1 1 50 50 ALA HB2 H 1 1.353 0.000 . . . . . A 50 ALA QB . 18901 1 522 . 1 1 50 50 ALA HB3 H 1 1.353 0.000 . . . . . A 50 ALA QB . 18901 1 523 . 1 1 50 50 ALA C C 13 178.375 0.000 . . . . . A 50 ALA C . 18901 1 524 . 1 1 50 50 ALA CA C 13 52.620 0.000 . . . . . A 50 ALA CA . 18901 1 525 . 1 1 50 50 ALA CB C 13 19.453 0.000 . . . . . A 50 ALA CB . 18901 1 526 . 1 1 50 50 ALA N N 15 124.199 0.000 . . . . . A 50 ALA N . 18901 1 527 . 1 1 51 51 SER H H 1 8.148 0.000 . . . . . A 51 SER H . 18901 1 528 . 1 1 51 51 SER HA H 1 4.307 0.000 . . . . . A 51 SER HA . 18901 1 529 . 1 1 51 51 SER HB2 H 1 4.287 0.000 . . . . . A 51 SER QB . 18901 1 530 . 1 1 51 51 SER HB3 H 1 4.287 0.000 . . . . . A 51 SER QB . 18901 1 531 . 1 1 51 51 SER C C 13 175.739 0.000 . . . . . A 51 SER C . 18901 1 532 . 1 1 51 51 SER CA C 13 52.695 0.000 . . . . . A 51 SER CA . 18901 1 533 . 1 1 51 51 SER CB C 13 62.104 0.000 . . . . . A 51 SER CB . 18901 1 534 . 1 1 51 51 SER N N 15 113.652 0.000 . . . . . A 51 SER N . 18901 1 535 . 1 1 52 52 GLY H H 1 8.267 0.000 . . . . . A 52 GLY H . 18901 1 536 . 1 1 52 52 GLY HA2 H 1 3.953 0.000 . . . . . A 52 GLY HA2 . 18901 1 537 . 1 1 52 52 GLY HA3 H 1 3.894 0.000 . . . . . A 52 GLY HA3 . 18901 1 538 . 1 1 52 52 GLY C C 13 174.511 0.000 . . . . . A 52 GLY C . 18901 1 539 . 1 1 52 52 GLY CA C 13 45.398 0.000 . . . . . A 52 GLY CA . 18901 1 540 . 1 1 52 52 GLY N N 15 109.442 0.000 . . . . . A 52 GLY N . 18901 1 541 . 1 1 53 53 GLU H H 1 7.951 0.000 . . . . . A 53 GLU H . 18901 1 542 . 1 1 53 53 GLU HA H 1 4.553 0.000 . . . . . A 53 GLU HA . 18901 1 543 . 1 1 53 53 GLU HB2 H 1 2.026 0.000 . . . . . A 53 GLU HB2 . 18901 1 544 . 1 1 53 53 GLU HB3 H 1 1.860 0.000 . . . . . A 53 GLU HB3 . 18901 1 545 . 1 1 53 53 GLU HG2 H 1 2.246 0.000 . . . . . A 53 GLU QG . 18901 1 546 . 1 1 53 53 GLU HG3 H 1 2.246 0.000 . . . . . A 53 GLU QG . 18901 1 547 . 1 1 53 53 GLU CA C 13 54.055 0.000 . . . . . A 53 GLU CA . 18901 1 548 . 1 1 53 53 GLU CB C 13 29.844 0.000 . . . . . A 53 GLU CB . 18901 1 549 . 1 1 53 53 GLU CG C 13 35.802 0.000 . . . . . A 53 GLU CG . 18901 1 550 . 1 1 53 53 GLU N N 15 120.137 0.000 . . . . . A 53 GLU N . 18901 1 551 . 1 1 54 54 PRO HA H 1 4.365 0.000 . . . . . A 54 PRO HA . 18901 1 552 . 1 1 54 54 PRO HB2 H 1 2.234 0.000 . . . . . A 54 PRO QB . 18901 1 553 . 1 1 54 54 PRO HB3 H 1 2.234 0.000 . . . . . A 54 PRO QB . 18901 1 554 . 1 1 54 54 PRO HG2 H 1 1.739 0.000 . . . . . A 54 PRO HG2 . 18901 1 555 . 1 1 54 54 PRO HG3 H 1 1.884 0.000 . . . . . A 54 PRO HG3 . 18901 1 556 . 1 1 54 54 PRO HD2 H 1 3.840 0.000 . . . . . A 54 PRO HD2 . 18901 1 557 . 1 1 54 54 PRO HD3 H 1 3.619 0.000 . . . . . A 54 PRO HD3 . 18901 1 558 . 1 1 54 54 PRO C C 13 177.830 0.000 . . . . . A 54 PRO C . 18901 1 559 . 1 1 54 54 PRO CA C 13 63.710 0.000 . . . . . A 54 PRO CA . 18901 1 560 . 1 1 54 54 PRO CB C 13 32.712 0.000 . . . . . A 54 PRO CB . 18901 1 561 . 1 1 54 54 PRO CG C 13 28.099 0.000 . . . . . A 54 PRO CG . 18901 1 562 . 1 1 54 54 PRO CD C 13 50.343 0.000 . . . . . A 54 PRO CD . 18901 1 563 . 1 1 55 55 LYS H H 1 8.315 0.000 . . . . . A 55 LYS H . 18901 1 564 . 1 1 55 55 LYS HA H 1 4.265 0.000 . . . . . A 55 LYS HA . 18901 1 565 . 1 1 55 55 LYS HB2 H 1 1.741 0.000 . . . . . A 55 LYS HB2 . 18901 1 566 . 1 1 55 55 LYS HB3 H 1 1.822 0.000 . . . . . A 55 LYS HB3 . 18901 1 567 . 1 1 55 55 LYS HG2 H 1 1.374 0.000 . . . . . A 55 LYS QG . 18901 1 568 . 1 1 55 55 LYS HG3 H 1 1.374 0.000 . . . . . A 55 LYS QG . 18901 1 569 . 1 1 55 55 LYS HE2 H 1 3.479 0.000 . . . . . A 55 LYS QE . 18901 1 570 . 1 1 55 55 LYS HE3 H 1 3.479 0.000 . . . . . A 55 LYS QE . 18901 1 571 . 1 1 55 55 LYS C C 13 177.347 0.000 . . . . . A 55 LYS C . 18901 1 572 . 1 1 55 55 LYS CA C 13 56.697 0.000 . . . . . A 55 LYS CA . 18901 1 573 . 1 1 55 55 LYS CB C 13 33.246 0.000 . . . . . A 55 LYS CB . 18901 1 574 . 1 1 55 55 LYS CG C 13 24.925 0.000 . . . . . A 55 LYS CG . 18901 1 575 . 1 1 55 55 LYS CD C 13 27.298 0.000 . . . . . A 55 LYS CD . 18901 1 576 . 1 1 55 55 LYS N N 15 119.406 0.000 . . . . . A 55 LYS N . 18901 1 577 . 1 1 56 56 SER H H 1 8.090 0.000 . . . . . A 56 SER H . 18901 1 578 . 1 1 56 56 SER HA H 1 4.564 0.000 . . . . . A 56 SER HA . 18901 1 579 . 1 1 56 56 SER HB2 H 1 4.366 0.000 . . . . . A 56 SER HB2 . 18901 1 580 . 1 1 56 56 SER C C 13 175.285 0.000 . . . . . A 56 SER C . 18901 1 581 . 1 1 56 56 SER CA C 13 60.090 0.000 . . . . . A 56 SER CA . 18901 1 582 . 1 1 56 56 SER CB C 13 63.305 0.000 . . . . . A 56 SER CB . 18901 1 583 . 1 1 56 56 SER N N 15 114.624 0.000 . . . . . A 56 SER N . 18901 1 584 . 1 1 57 57 SER H H 1 8.224 0.000 . . . . . A 57 SER H . 18901 1 585 . 1 1 57 57 SER HA H 1 4.455 0.000 . . . . . A 57 SER HA . 18901 1 586 . 1 1 57 57 SER HB2 H 1 3.817 0.000 . . . . . A 57 SER HB2 . 18901 1 587 . 1 1 57 57 SER HB3 H 1 3.862 0.000 . . . . . A 57 SER HB3 . 18901 1 588 . 1 1 57 57 SER C C 13 174.988 0.000 . . . . . A 57 SER C . 18901 1 589 . 1 1 57 57 SER CA C 13 58.332 0.000 . . . . . A 57 SER CA . 18901 1 590 . 1 1 57 57 SER CB C 13 63.876 0.000 . . . . . A 57 SER CB . 18901 1 591 . 1 1 57 57 SER N N 15 116.016 0.000 . . . . . A 57 SER N . 18901 1 592 . 1 1 58 58 THR H H 1 7.939 0.000 . . . . . A 58 THR H . 18901 1 593 . 1 1 58 58 THR HA H 1 4.602 0.000 . . . . . A 58 THR HA . 18901 1 594 . 1 1 58 58 THR HB H 1 4.134 0.000 . . . . . A 58 THR HB . 18901 1 595 . 1 1 58 58 THR HG21 H 1 1.180 0.000 . . . . . A 58 THR QG2 . 18901 1 596 . 1 1 58 58 THR HG22 H 1 1.180 0.000 . . . . . A 58 THR QG2 . 18901 1 597 . 1 1 58 58 THR HG23 H 1 1.180 0.000 . . . . . A 58 THR QG2 . 18901 1 598 . 1 1 58 58 THR CA C 13 59.935 0.000 . . . . . A 58 THR CA . 18901 1 599 . 1 1 58 58 THR CB C 13 69.773 0.000 . . . . . A 58 THR CB . 18901 1 600 . 1 1 58 58 THR CG2 C 13 21.758 0.000 . . . . . A 58 THR CG2 . 18901 1 601 . 1 1 58 58 THR N N 15 116.090 0.000 . . . . . A 58 THR N . 18901 1 602 . 1 1 59 59 PRO HA H 1 4.281 0.000 . . . . . A 59 PRO HA . 18901 1 603 . 1 1 59 59 PRO HB2 H 1 2.227 0.000 . . . . . A 59 PRO HB2 . 18901 1 604 . 1 1 59 59 PRO HB3 H 1 1.824 0.000 . . . . . A 59 PRO HB3 . 18901 1 605 . 1 1 59 59 PRO HG2 H 1 2.012 0.000 . . . . . A 59 PRO QG . 18901 1 606 . 1 1 59 59 PRO HG3 H 1 2.012 0.000 . . . . . A 59 PRO QG . 18901 1 607 . 1 1 59 59 PRO HD2 H 1 3.490 0.000 . . . . . A 59 PRO HD2 . 18901 1 608 . 1 1 59 59 PRO HD3 H 1 3.839 0.000 . . . . . A 59 PRO HD3 . 18901 1 609 . 1 1 59 59 PRO C C 13 177.272 0.000 . . . . . A 59 PRO C . 18901 1 610 . 1 1 59 59 PRO CA C 13 62.076 0.000 . . . . . A 59 PRO CA . 18901 1 611 . 1 1 59 59 PRO CB C 13 32.778 0.000 . . . . . A 59 PRO CB . 18901 1 612 . 1 1 59 59 PRO CG C 13 27.577 0.000 . . . . . A 59 PRO CG . 18901 1 613 . 1 1 59 59 PRO CD C 13 49.680 0.000 . . . . . A 59 PRO CD . 18901 1 614 . 1 1 60 60 ALA H H 1 8.156 0.000 . . . . . A 60 ALA H . 18901 1 615 . 1 1 60 60 ALA HA H 1 4.219 0.000 . . . . . A 60 ALA HA . 18901 1 616 . 1 1 60 60 ALA HB1 H 1 1.314 0.000 . . . . . A 60 ALA QB . 18901 1 617 . 1 1 60 60 ALA HB2 H 1 1.314 0.000 . . . . . A 60 ALA QB . 18901 1 618 . 1 1 60 60 ALA HB3 H 1 1.314 0.000 . . . . . A 60 ALA QB . 18901 1 619 . 1 1 60 60 ALA C C 13 178.277 0.000 . . . . . A 60 ALA C . 18901 1 620 . 1 1 60 60 ALA CA C 13 52.500 0.000 . . . . . A 60 ALA CA . 18901 1 621 . 1 1 60 60 ALA CB C 13 19.459 0.000 . . . . . A 60 ALA CB . 18901 1 622 . 1 1 60 60 ALA N N 15 122.319 0.000 . . . . . A 60 ALA N . 18901 1 623 . 1 1 61 61 GLN H H 1 8.016 0.000 . . . . . A 61 GLN H . 18901 1 624 . 1 1 61 61 GLN HA H 1 4.278 0.000 . . . . . A 61 GLN HA . 18901 1 625 . 1 1 61 61 GLN HB2 H 1 2.041 0.000 . . . . . A 61 GLN HB2 . 18901 1 626 . 1 1 61 61 GLN HB3 H 1 1.892 0.000 . . . . . A 61 GLN HB3 . 18901 1 627 . 1 1 61 61 GLN HG2 H 1 2.293 0.000 . . . . . A 61 GLN HG2 . 18901 1 628 . 1 1 61 61 GLN HE21 H 1 6.746 0.000 . . . . . A 61 GLN HE21 . 18901 1 629 . 1 1 61 61 GLN HE22 H 1 7.404 0.000 . . . . . A 61 GLN HE22 . 18901 1 630 . 1 1 61 61 GLN C C 13 176.148 0.000 . . . . . A 61 GLN C . 18901 1 631 . 1 1 61 61 GLN CA C 13 55.525 0.000 . . . . . A 61 GLN CA . 18901 1 632 . 1 1 61 61 GLN CB C 13 30.044 0.000 . . . . . A 61 GLN CB . 18901 1 633 . 1 1 61 61 GLN CG C 13 33.986 0.000 . . . . . A 61 GLN CG . 18901 1 634 . 1 1 61 61 GLN N N 15 117.680 0.000 . . . . . A 61 GLN N . 18901 1 635 . 1 1 61 61 GLN NE2 N 15 110.858 0.000 . . . . . A 61 GLN NE2 . 18901 1 636 . 1 1 62 62 LEU H H 1 7.968 0.000 . . . . . A 62 LEU H . 18901 1 637 . 1 1 62 62 LEU HA H 1 4.129 0.000 . . . . . A 62 LEU HA . 18901 1 638 . 1 1 62 62 LEU HB2 H 1 1.383 0.000 . . . . . A 62 LEU HB2 . 18901 1 639 . 1 1 62 62 LEU HB3 H 1 0.845 0.000 . . . . . A 62 LEU HB3 . 18901 1 640 . 1 1 62 62 LEU HG H 1 1.375 0.000 . . . . . A 62 LEU HG . 18901 1 641 . 1 1 62 62 LEU HD11 H 1 0.360 0.000 . . . . . A 62 LEU QD1 . 18901 1 642 . 1 1 62 62 LEU HD12 H 1 0.360 0.000 . . . . . A 62 LEU QD1 . 18901 1 643 . 1 1 62 62 LEU HD13 H 1 0.360 0.000 . . . . . A 62 LEU QD1 . 18901 1 644 . 1 1 62 62 LEU HD21 H 1 0.589 0.000 . . . . . A 62 LEU QD2 . 18901 1 645 . 1 1 62 62 LEU HD22 H 1 0.589 0.000 . . . . . A 62 LEU QD2 . 18901 1 646 . 1 1 62 62 LEU HD23 H 1 0.589 0.000 . . . . . A 62 LEU QD2 . 18901 1 647 . 1 1 62 62 LEU C C 13 176.202 0.000 . . . . . A 62 LEU C . 18901 1 648 . 1 1 62 62 LEU CA C 13 54.574 0.000 . . . . . A 62 LEU CA . 18901 1 649 . 1 1 62 62 LEU CB C 13 43.290 0.000 . . . . . A 62 LEU CB . 18901 1 650 . 1 1 62 62 LEU CG C 13 26.828 0.000 . . . . . A 62 LEU CG . 18901 1 651 . 1 1 62 62 LEU CD1 C 13 23.195 0.000 . . . . . A 62 LEU CD1 . 18901 1 652 . 1 1 62 62 LEU CD2 C 13 25.534 0.000 . . . . . A 62 LEU CD2 . 18901 1 653 . 1 1 62 62 LEU N N 15 121.805 0.000 . . . . . A 62 LEU N . 18901 1 654 . 1 1 63 63 ALA H H 1 8.434 0.000 . . . . . A 63 ALA H . 18901 1 655 . 1 1 63 63 ALA HA H 1 4.496 0.000 . . . . . A 63 ALA HA . 18901 1 656 . 1 1 63 63 ALA HB1 H 1 1.217 0.000 . . . . . A 63 ALA QB . 18901 1 657 . 1 1 63 63 ALA HB2 H 1 1.217 0.000 . . . . . A 63 ALA QB . 18901 1 658 . 1 1 63 63 ALA HB3 H 1 1.217 0.000 . . . . . A 63 ALA QB . 18901 1 659 . 1 1 63 63 ALA C C 13 176.252 0.000 . . . . . A 63 ALA C . 18901 1 660 . 1 1 63 63 ALA CA C 13 50.798 0.000 . . . . . A 63 ALA CA . 18901 1 661 . 1 1 63 63 ALA CB C 13 20.646 0.000 . . . . . A 63 ALA CB . 18901 1 662 . 1 1 63 63 ALA N N 15 124.947 0.000 . . . . . A 63 ALA N . 18901 1 663 . 1 1 64 64 PHE H H 1 8.446 0.000 . . . . . A 64 PHE H . 18901 1 664 . 1 1 64 64 PHE HA H 1 5.084 0.000 . . . . . A 64 PHE HA . 18901 1 665 . 1 1 64 64 PHE HB2 H 1 2.683 0.000 . . . . . A 64 PHE HB2 . 18901 1 666 . 1 1 64 64 PHE HD1 H 1 6.851 0.000 . . . . . A 64 PHE QD . 18901 1 667 . 1 1 64 64 PHE HD2 H 1 6.851 0.000 . . . . . A 64 PHE QD . 18901 1 668 . 1 1 64 64 PHE HE1 H 1 6.964 0.000 . . . . . A 64 PHE QE . 18901 1 669 . 1 1 64 64 PHE HE2 H 1 6.964 0.000 . . . . . A 64 PHE QE . 18901 1 670 . 1 1 64 64 PHE HZ H 1 6.907 0.000 . . . . . A 64 PHE HZ . 18901 1 671 . 1 1 64 64 PHE C C 13 176.403 0.000 . . . . . A 64 PHE C . 18901 1 672 . 1 1 64 64 PHE CA C 13 57.733 0.000 . . . . . A 64 PHE CA . 18901 1 673 . 1 1 64 64 PHE CB C 13 42.810 0.000 . . . . . A 64 PHE CB . 18901 1 674 . 1 1 64 64 PHE CD1 C 13 129.713 0.000 . . . . . A 64 PHE CD1 . 18901 1 675 . 1 1 64 64 PHE CD2 C 13 129.713 0.000 . . . . . A 64 PHE CD2 . 18901 1 676 . 1 1 64 64 PHE CE1 C 13 129.713 0.000 . . . . . A 64 PHE CE1 . 18901 1 677 . 1 1 64 64 PHE CE2 C 13 129.713 0.000 . . . . . A 64 PHE CE2 . 18901 1 678 . 1 1 64 64 PHE CZ C 13 127.263 0.000 . . . . . A 64 PHE CZ . 18901 1 679 . 1 1 64 64 PHE N N 15 117.099 0.000 . . . . . A 64 PHE N . 18901 1 680 . 1 1 65 65 MET H H 1 9.050 0.000 . . . . . A 65 MET H . 18901 1 681 . 1 1 65 65 MET HA H 1 4.902 0.000 . . . . . A 65 MET HA . 18901 1 682 . 1 1 65 65 MET HB3 H 1 2.049 0.000 . . . . . A 65 MET HB3 . 18901 1 683 . 1 1 65 65 MET HG2 H 1 2.537 0.000 . . . . . A 65 MET HG2 . 18901 1 684 . 1 1 65 65 MET HG3 H 1 2.451 0.000 . . . . . A 65 MET HG3 . 18901 1 685 . 1 1 65 65 MET HE1 H 1 2.096 0.000 . . . . . A 65 MET QE . 18901 1 686 . 1 1 65 65 MET HE2 H 1 2.096 0.000 . . . . . A 65 MET QE . 18901 1 687 . 1 1 65 65 MET HE3 H 1 2.096 0.000 . . . . . A 65 MET QE . 18901 1 688 . 1 1 65 65 MET CA C 13 53.984 0.000 . . . . . A 65 MET CA . 18901 1 689 . 1 1 65 65 MET CB C 13 36.825 0.000 . . . . . A 65 MET CB . 18901 1 690 . 1 1 65 65 MET CG C 13 31.644 0.000 . . . . . A 65 MET CG . 18901 1 691 . 1 1 65 65 MET CE C 13 17.524 0.000 . . . . . A 65 MET CE . 18901 1 692 . 1 1 65 65 MET N N 15 120.470 0.000 . . . . . A 65 MET N . 18901 1 693 . 1 1 66 66 ARG H H 1 7.540 0.000 . . . . . A 66 ARG H . 18901 1 694 . 1 1 66 66 ARG HA H 1 4.143 0.000 . . . . . A 66 ARG HA . 18901 1 695 . 1 1 66 66 ARG HB2 H 1 1.431 0.000 . . . . . A 66 ARG HB2 . 18901 1 696 . 1 1 66 66 ARG HG2 H 1 1.251 0.000 . . . . . A 66 ARG HG2 . 18901 1 697 . 1 1 66 66 ARG HD2 H 1 3.075 0.000 . . . . . A 66 ARG HD2 . 18901 1 698 . 1 1 66 66 ARG HD3 H 1 2.824 0.000 . . . . . A 66 ARG HD3 . 18901 1 699 . 1 1 66 66 ARG C C 13 176.916 0.000 . . . . . A 66 ARG C . 18901 1 700 . 1 1 66 66 ARG CA C 13 57.962 0.000 . . . . . A 66 ARG CA . 18901 1 701 . 1 1 66 66 ARG CB C 13 31.072 0.000 . . . . . A 66 ARG CB . 18901 1 702 . 1 1 66 66 ARG CG C 13 27.649 0.000 . . . . . A 66 ARG CG . 18901 1 703 . 1 1 66 66 ARG CD C 13 44.363 0.000 . . . . . A 66 ARG CD . 18901 1 704 . 1 1 66 66 ARG N N 15 120.685 0.000 . . . . . A 66 ARG N . 18901 1 705 . 1 1 67 67 VAL H H 1 8.859 0.000 . . . . . A 67 VAL H . 18901 1 706 . 1 1 67 67 VAL HA H 1 4.714 0.000 . . . . . A 67 VAL HA . 18901 1 707 . 1 1 67 67 VAL HB H 1 2.552 0.000 . . . . . A 67 VAL HB . 18901 1 708 . 1 1 67 67 VAL HG11 H 1 0.814 0.000 . . . . . A 67 VAL QG1 . 18901 1 709 . 1 1 67 67 VAL HG12 H 1 0.814 0.000 . . . . . A 67 VAL QG1 . 18901 1 710 . 1 1 67 67 VAL HG13 H 1 0.814 0.000 . . . . . A 67 VAL QG1 . 18901 1 711 . 1 1 67 67 VAL HG21 H 1 1.030 0.000 . . . . . A 67 VAL QG2 . 18901 1 712 . 1 1 67 67 VAL HG22 H 1 1.030 0.000 . . . . . A 67 VAL QG2 . 18901 1 713 . 1 1 67 67 VAL HG23 H 1 1.030 0.000 . . . . . A 67 VAL QG2 . 18901 1 714 . 1 1 67 67 VAL C C 13 175.777 0.000 . . . . . A 67 VAL C . 18901 1 715 . 1 1 67 67 VAL CA C 13 60.919 0.000 . . . . . A 67 VAL CA . 18901 1 716 . 1 1 67 67 VAL CB C 13 33.414 0.000 . . . . . A 67 VAL CB . 18901 1 717 . 1 1 67 67 VAL CG1 C 13 19.813 0.000 . . . . . A 67 VAL CG1 . 18901 1 718 . 1 1 67 67 VAL CG2 C 13 23.127 0.000 . . . . . A 67 VAL CG2 . 18901 1 719 . 1 1 67 67 VAL N N 15 117.677 0.000 . . . . . A 67 VAL N . 18901 1 720 . 1 1 68 68 TYR H H 1 7.539 0.000 . . . . . A 68 TYR H . 18901 1 721 . 1 1 68 68 TYR HA H 1 4.777 0.000 . . . . . A 68 TYR HA . 18901 1 722 . 1 1 68 68 TYR HB2 H 1 3.491 0.000 . . . . . A 68 TYR HB2 . 18901 1 723 . 1 1 68 68 TYR HB3 H 1 2.328 0.000 . . . . . A 68 TYR HB3 . 18901 1 724 . 1 1 68 68 TYR HE1 H 1 6.979 0.000 . . . . . A 68 TYR HE1 . 18901 1 725 . 1 1 68 68 TYR C C 13 173.712 0.000 . . . . . A 68 TYR C . 18901 1 726 . 1 1 68 68 TYR CA C 13 58.305 0.000 . . . . . A 68 TYR CA . 18901 1 727 . 1 1 68 68 TYR CB C 13 43.056 0.000 . . . . . A 68 TYR CB . 18901 1 728 . 1 1 68 68 TYR CD2 C 13 130.000 0.000 . . . . . A 68 TYR CD2 . 18901 1 729 . 1 1 68 68 TYR CE2 C 13 117.170 0.000 . . . . . A 68 TYR CE2 . 18901 1 730 . 1 1 68 68 TYR N N 15 120.707 0.000 . . . . . A 68 TYR N . 18901 1 731 . 1 1 69 69 CYS H H 1 7.601 0.000 . . . . . A 69 CYS H . 18901 1 732 . 1 1 69 69 CYS HA H 1 5.069 0.000 . . . . . A 69 CYS HA . 18901 1 733 . 1 1 69 69 CYS HB2 H 1 2.368 0.000 . . . . . A 69 CYS HB2 . 18901 1 734 . 1 1 69 69 CYS HB3 H 1 2.443 0.000 . . . . . A 69 CYS HB3 . 18901 1 735 . 1 1 69 69 CYS C C 13 174.094 0.000 . . . . . A 69 CYS C . 18901 1 736 . 1 1 69 69 CYS CA C 13 57.190 0.000 . . . . . A 69 CYS CA . 18901 1 737 . 1 1 69 69 CYS CB C 13 27.990 0.000 . . . . . A 69 CYS CB . 18901 1 738 . 1 1 69 69 CYS N N 15 127.927 0.000 . . . . . A 69 CYS N . 18901 1 739 . 1 1 70 70 GLY H H 1 8.336 0.000 . . . . . A 70 GLY H . 18901 1 740 . 1 1 70 70 GLY HA2 H 1 4.375 0.000 . . . . . A 70 GLY HA2 . 18901 1 741 . 1 1 70 70 GLY HA3 H 1 4.148 0.000 . . . . . A 70 GLY HA3 . 18901 1 742 . 1 1 70 70 GLY CA C 13 46.146 0.000 . . . . . A 70 GLY CA . 18901 1 743 . 1 1 70 70 GLY N N 15 114.822 0.000 . . . . . A 70 GLY N . 18901 1 744 . 1 1 71 71 PRO HA H 1 4.548 0.000 . . . . . A 71 PRO HA . 18901 1 745 . 1 1 71 71 PRO HB2 H 1 2.358 0.000 . . . . . A 71 PRO HB2 . 18901 1 746 . 1 1 71 71 PRO HG2 H 1 2.202 0.000 . . . . . A 71 PRO HG2 . 18901 1 747 . 1 1 71 71 PRO HG3 H 1 2.158 0.000 . . . . . A 71 PRO HG3 . 18901 1 748 . 1 1 71 71 PRO HD2 H 1 3.963 0.000 . . . . . A 71 PRO HD2 . 18901 1 749 . 1 1 71 71 PRO HD3 H 1 3.712 0.000 . . . . . A 71 PRO HD3 . 18901 1 750 . 1 1 71 71 PRO CB C 13 32.664 0.000 . . . . . A 71 PRO CB . 18901 1 751 . 1 1 71 71 PRO CG C 13 27.092 0.000 . . . . . A 71 PRO CG . 18901 1 752 . 1 1 71 71 PRO CD C 13 49.782 0.000 . . . . . A 71 PRO CD . 18901 1 753 . 1 1 72 72 SER H H 1 7.327 0.000 . . . . . A 72 SER H . 18901 1 754 . 1 1 72 72 SER HA H 1 4.850 0.000 . . . . . A 72 SER HA . 18901 1 755 . 1 1 72 72 SER HB2 H 1 3.860 0.000 . . . . . A 72 SER HB2 . 18901 1 756 . 1 1 72 72 SER CA C 13 56.874 0.000 . . . . . A 72 SER CA . 18901 1 757 . 1 1 72 72 SER CB C 13 63.248 0.000 . . . . . A 72 SER CB . 18901 1 758 . 1 1 72 72 SER N N 15 112.451 0.000 . . . . . A 72 SER N . 18901 1 759 . 1 1 73 73 PRO HA H 1 4.193 0.000 . . . . . A 73 PRO HA . 18901 1 760 . 1 1 73 73 PRO HB2 H 1 1.704 0.000 . . . . . A 73 PRO HB2 . 18901 1 761 . 1 1 73 73 PRO HB3 H 1 1.555 0.000 . . . . . A 73 PRO HB3 . 18901 1 762 . 1 1 73 73 PRO HG2 H 1 2.013 0.000 . . . . . A 73 PRO HG2 . 18901 1 763 . 1 1 73 73 PRO HG3 H 1 1.873 0.000 . . . . . A 73 PRO HG3 . 18901 1 764 . 1 1 73 73 PRO HD2 H 1 3.494 0.000 . . . . . A 73 PRO HD2 . 18901 1 765 . 1 1 73 73 PRO HD3 H 1 3.650 0.000 . . . . . A 73 PRO HD3 . 18901 1 766 . 1 1 73 73 PRO CA C 13 63.555 0.000 . . . . . A 73 PRO CA . 18901 1 767 . 1 1 73 73 PRO CB C 13 32.236 0.000 . . . . . A 73 PRO CB . 18901 1 768 . 1 1 73 73 PRO CG C 13 28.210 0.000 . . . . . A 73 PRO CG . 18901 1 769 . 1 1 73 73 PRO CD C 13 50.149 0.000 . . . . . A 73 PRO CD . 18901 1 770 . 1 1 74 74 SER H H 1 6.909 0.000 . . . . . A 74 SER H . 18901 1 771 . 1 1 74 74 SER HA H 1 3.907 0.000 . . . . . A 74 SER HA . 18901 1 772 . 1 1 74 74 SER HB2 H 1 3.374 0.000 . . . . . A 74 SER HB2 . 18901 1 773 . 1 1 74 74 SER HB3 H 1 3.329 0.000 . . . . . A 74 SER HB3 . 18901 1 774 . 1 1 74 74 SER CA C 13 56.710 0.000 . . . . . A 74 SER CA . 18901 1 775 . 1 1 74 74 SER CB C 13 64.647 0.000 . . . . . A 74 SER CB . 18901 1 776 . 1 1 74 74 SER N N 15 111.450 0.000 . . . . . A 74 SER N . 18901 1 777 . 1 1 75 75 CYS H H 1 6.017 0.000 . . . . . A 75 CYS H . 18901 1 778 . 1 1 75 75 CYS HA H 1 3.559 0.000 . . . . . A 75 CYS HA . 18901 1 779 . 1 1 75 75 CYS HB2 H 1 1.599 0.000 . . . . . A 75 CYS HB2 . 18901 1 780 . 1 1 75 75 CYS HB3 H 1 0.643 0.000 . . . . . A 75 CYS HB3 . 18901 1 781 . 1 1 75 75 CYS C C 13 171.568 0.000 . . . . . A 75 CYS C . 18901 1 782 . 1 1 75 75 CYS CA C 13 62.200 0.000 . . . . . A 75 CYS CA . 18901 1 783 . 1 1 75 75 CYS CB C 13 26.251 0.000 . . . . . A 75 CYS CB . 18901 1 784 . 1 1 75 75 CYS N N 15 124.103 0.000 . . . . . A 75 CYS N . 18901 1 785 . 1 1 76 76 LEU H H 1 8.015 0.000 . . . . . A 76 LEU H . 18901 1 786 . 1 1 76 76 LEU HA H 1 4.823 0.000 . . . . . A 76 LEU HA . 18901 1 787 . 1 1 76 76 LEU HB2 H 1 1.577 0.000 . . . . . A 76 LEU HB2 . 18901 1 788 . 1 1 76 76 LEU HB3 H 1 1.169 0.000 . . . . . A 76 LEU HB3 . 18901 1 789 . 1 1 76 76 LEU HD11 H 1 0.296 0.000 . . . . . A 76 LEU QD1 . 18901 1 790 . 1 1 76 76 LEU HD12 H 1 0.296 0.000 . . . . . A 76 LEU QD1 . 18901 1 791 . 1 1 76 76 LEU HD13 H 1 0.296 0.000 . . . . . A 76 LEU QD1 . 18901 1 792 . 1 1 76 76 LEU HD21 H 1 1.100 0.000 . . . . . A 76 LEU QD2 . 18901 1 793 . 1 1 76 76 LEU HD22 H 1 1.100 0.000 . . . . . A 76 LEU QD2 . 18901 1 794 . 1 1 76 76 LEU HD23 H 1 1.100 0.000 . . . . . A 76 LEU QD2 . 18901 1 795 . 1 1 76 76 LEU C C 13 176.786 0.000 . . . . . A 76 LEU C . 18901 1 796 . 1 1 76 76 LEU CA C 13 53.365 0.000 . . . . . A 76 LEU CA . 18901 1 797 . 1 1 76 76 LEU CB C 13 44.226 0.000 . . . . . A 76 LEU CB . 18901 1 798 . 1 1 76 76 LEU CD1 C 13 22.767 0.000 . . . . . A 76 LEU CD1 . 18901 1 799 . 1 1 76 76 LEU CD2 C 13 22.760 0.000 . . . . . A 76 LEU CD2 . 18901 1 800 . 1 1 76 76 LEU N N 15 121.191 0.000 . . . . . A 76 LEU N . 18901 1 801 . 1 1 77 77 VAL H H 1 9.084 0.000 . . . . . A 77 VAL H . 18901 1 802 . 1 1 77 77 VAL HA H 1 4.252 0.000 . . . . . A 77 VAL HA . 18901 1 803 . 1 1 77 77 VAL HB H 1 1.968 0.000 . . . . . A 77 VAL HB . 18901 1 804 . 1 1 77 77 VAL HG11 H 1 1.070 0.000 . . . . . A 77 VAL QG1 . 18901 1 805 . 1 1 77 77 VAL HG12 H 1 1.070 0.000 . . . . . A 77 VAL QG1 . 18901 1 806 . 1 1 77 77 VAL HG13 H 1 1.070 0.000 . . . . . A 77 VAL QG1 . 18901 1 807 . 1 1 77 77 VAL HG21 H 1 0.783 0.000 . . . . . A 77 VAL QG2 . 18901 1 808 . 1 1 77 77 VAL HG22 H 1 0.783 0.000 . . . . . A 77 VAL QG2 . 18901 1 809 . 1 1 77 77 VAL HG23 H 1 0.783 0.000 . . . . . A 77 VAL QG2 . 18901 1 810 . 1 1 77 77 VAL C C 13 175.529 0.000 . . . . . A 77 VAL C . 18901 1 811 . 1 1 77 77 VAL CA C 13 61.651 0.000 . . . . . A 77 VAL CA . 18901 1 812 . 1 1 77 77 VAL CB C 13 32.676 0.000 . . . . . A 77 VAL CB . 18901 1 813 . 1 1 77 77 VAL CG1 C 13 21.768 0.000 . . . . . A 77 VAL CG1 . 18901 1 814 . 1 1 77 77 VAL CG2 C 13 22.020 0.000 . . . . . A 77 VAL CG2 . 18901 1 815 . 1 1 77 77 VAL N N 15 126.347 0.000 . . . . . A 77 VAL N . 18901 1 816 . 1 1 78 78 GLN H H 1 8.908 0.000 . . . . . A 78 GLN H . 18901 1 817 . 1 1 78 78 GLN HA H 1 4.515 0.000 . . . . . A 78 GLN HA . 18901 1 818 . 1 1 78 78 GLN HB2 H 1 2.122 0.000 . . . . . A 78 GLN HB2 . 18901 1 819 . 1 1 78 78 GLN HB3 H 1 2.437 0.000 . . . . . A 78 GLN HB3 . 18901 1 820 . 1 1 78 78 GLN HG2 H 1 2.519 0.000 . . . . . A 78 GLN HG2 . 18901 1 821 . 1 1 78 78 GLN HG3 H 1 2.465 0.000 . . . . . A 78 GLN HG3 . 18901 1 822 . 1 1 78 78 GLN HE21 H 1 7.477 0.000 . . . . . A 78 GLN HE21 . 18901 1 823 . 1 1 78 78 GLN HE22 H 1 6.854 0.000 . . . . . A 78 GLN HE22 . 18901 1 824 . 1 1 78 78 GLN C C 13 178.805 0.000 . . . . . A 78 GLN C . 18901 1 825 . 1 1 78 78 GLN CA C 13 56.916 0.000 . . . . . A 78 GLN CA . 18901 1 826 . 1 1 78 78 GLN CB C 13 30.398 0.000 . . . . . A 78 GLN CB . 18901 1 827 . 1 1 78 78 GLN CG C 13 34.965 0.000 . . . . . A 78 GLN CG . 18901 1 828 . 1 1 78 78 GLN N N 15 124.566 0.000 . . . . . A 78 GLN N . 18901 1 829 . 1 1 78 78 GLN NE2 N 15 110.682 0.000 . . . . . A 78 GLN NE2 . 18901 1 830 . 1 1 79 79 SER H H 1 8.458 0.000 . . . . . A 79 SER H . 18901 1 831 . 1 1 79 79 SER HA H 1 4.087 0.000 . . . . . A 79 SER HA . 18901 1 832 . 1 1 79 79 SER HB2 H 1 3.882 0.000 . . . . . A 79 SER HB2 . 18901 1 833 . 1 1 79 79 SER C C 13 177.179 0.000 . . . . . A 79 SER C . 18901 1 834 . 1 1 79 79 SER CA C 13 62.454 0.000 . . . . . A 79 SER CA . 18901 1 835 . 1 1 79 79 SER CB C 13 62.787 0.000 . . . . . A 79 SER CB . 18901 1 836 . 1 1 79 79 SER N N 15 116.974 0.000 . . . . . A 79 SER N . 18901 1 837 . 1 1 80 80 SER H H 1 8.537 0.000 . . . . . A 80 SER H . 18901 1 838 . 1 1 80 80 SER HA H 1 4.211 0.000 . . . . . A 80 SER HA . 18901 1 839 . 1 1 80 80 SER HB2 H 1 3.888 0.000 . . . . . A 80 SER HB2 . 18901 1 840 . 1 1 80 80 SER C C 13 177.853 0.000 . . . . . A 80 SER C . 18901 1 841 . 1 1 80 80 SER CA C 13 61.190 0.000 . . . . . A 80 SER CA . 18901 1 842 . 1 1 80 80 SER CB C 13 62.358 0.000 . . . . . A 80 SER CB . 18901 1 843 . 1 1 80 80 SER N N 15 114.734 0.000 . . . . . A 80 SER N . 18901 1 844 . 1 1 81 81 SER H H 1 7.514 0.000 . . . . . A 81 SER H . 18901 1 845 . 1 1 81 81 SER HA H 1 4.455 0.000 . . . . . A 81 SER HA . 18901 1 846 . 1 1 81 81 SER HB2 H 1 3.780 0.000 . . . . . A 81 SER HB2 . 18901 1 847 . 1 1 81 81 SER HB3 H 1 4.024 0.000 . . . . . A 81 SER HB3 . 18901 1 848 . 1 1 81 81 SER C C 13 175.702 0.000 . . . . . A 81 SER C . 18901 1 849 . 1 1 81 81 SER CA C 13 61.433 0.000 . . . . . A 81 SER CA . 18901 1 850 . 1 1 81 81 SER CB C 13 63.130 0.000 . . . . . A 81 SER CB . 18901 1 851 . 1 1 81 81 SER N N 15 117.137 0.000 . . . . . A 81 SER N . 18901 1 852 . 1 1 82 82 LEU H H 1 7.629 0.000 . . . . . A 82 LEU H . 18901 1 853 . 1 1 82 82 LEU HA H 1 4.033 0.000 . . . . . A 82 LEU HA . 18901 1 854 . 1 1 82 82 LEU HB2 H 1 1.608 0.000 . . . . . A 82 LEU HB2 . 18901 1 855 . 1 1 82 82 LEU HB3 H 1 1.970 0.000 . . . . . A 82 LEU HB3 . 18901 1 856 . 1 1 82 82 LEU HG H 1 1.771 0.000 . . . . . A 82 LEU HG . 18901 1 857 . 1 1 82 82 LEU HD11 H 1 0.993 0.000 . . . . . A 82 LEU QD1 . 18901 1 858 . 1 1 82 82 LEU HD12 H 1 0.993 0.000 . . . . . A 82 LEU QD1 . 18901 1 859 . 1 1 82 82 LEU HD13 H 1 0.993 0.000 . . . . . A 82 LEU QD1 . 18901 1 860 . 1 1 82 82 LEU HD21 H 1 1.052 0.000 . . . . . A 82 LEU QD2 . 18901 1 861 . 1 1 82 82 LEU HD22 H 1 1.052 0.000 . . . . . A 82 LEU QD2 . 18901 1 862 . 1 1 82 82 LEU HD23 H 1 1.052 0.000 . . . . . A 82 LEU QD2 . 18901 1 863 . 1 1 82 82 LEU C C 13 179.445 0.000 . . . . . A 82 LEU C . 18901 1 864 . 1 1 82 82 LEU CA C 13 56.702 0.000 . . . . . A 82 LEU CA . 18901 1 865 . 1 1 82 82 LEU CB C 13 41.788 0.000 . . . . . A 82 LEU CB . 18901 1 866 . 1 1 82 82 LEU CG C 13 26.748 0.000 . . . . . A 82 LEU CG . 18901 1 867 . 1 1 82 82 LEU CD1 C 13 23.897 0.000 . . . . . A 82 LEU CD1 . 18901 1 868 . 1 1 82 82 LEU CD2 C 13 25.982 0.000 . . . . . A 82 LEU CD2 . 18901 1 869 . 1 1 82 82 LEU N N 15 117.548 0.000 . . . . . A 82 LEU N . 18901 1 870 . 1 1 83 83 SER H H 1 7.805 0.000 . . . . . A 83 SER H . 18901 1 871 . 1 1 83 83 SER HA H 1 4.214 0.000 . . . . . A 83 SER HA . 18901 1 872 . 1 1 83 83 SER HB2 H 1 3.908 0.000 . . . . . A 83 SER HB2 . 18901 1 873 . 1 1 83 83 SER C C 13 175.256 0.000 . . . . . A 83 SER C . 18901 1 874 . 1 1 83 83 SER CA C 13 61.192 0.000 . . . . . A 83 SER CA . 18901 1 875 . 1 1 83 83 SER CB C 13 63.544 0.000 . . . . . A 83 SER CB . 18901 1 876 . 1 1 83 83 SER N N 15 113.258 0.000 . . . . . A 83 SER N . 18901 1 877 . 1 1 84 84 ASN H H 1 7.612 0.000 . . . . . A 84 ASN H . 18901 1 878 . 1 1 84 84 ASN HA H 1 4.922 0.000 . . . . . A 84 ASN HA . 18901 1 879 . 1 1 84 84 ASN HB2 H 1 2.636 0.000 . . . . . A 84 ASN HB2 . 18901 1 880 . 1 1 84 84 ASN HB3 H 1 2.963 0.000 . . . . . A 84 ASN HB3 . 18901 1 881 . 1 1 84 84 ASN HD21 H 1 7.323 0.000 . . . . . A 84 ASN HD21 . 18901 1 882 . 1 1 84 84 ASN HD22 H 1 6.827 0.000 . . . . . A 84 ASN HD22 . 18901 1 883 . 1 1 84 84 ASN C C 13 175.063 0.000 . . . . . A 84 ASN C . 18901 1 884 . 1 1 84 84 ASN CA C 13 52.672 0.000 . . . . . A 84 ASN CA . 18901 1 885 . 1 1 84 84 ASN CB C 13 39.691 0.000 . . . . . A 84 ASN CB . 18901 1 886 . 1 1 84 84 ASN N N 15 116.565 0.000 . . . . . A 84 ASN N . 18901 1 887 . 1 1 84 84 ASN ND2 N 15 110.990 0.000 . . . . . A 84 ASN ND2 . 18901 1 888 . 1 1 85 85 ALA H H 1 7.558 0.000 . . . . . A 85 ALA H . 18901 1 889 . 1 1 85 85 ALA HA H 1 4.249 0.000 . . . . . A 85 ALA HA . 18901 1 890 . 1 1 85 85 ALA HB1 H 1 1.436 0.000 . . . . . A 85 ALA QB . 18901 1 891 . 1 1 85 85 ALA HB2 H 1 1.436 0.000 . . . . . A 85 ALA QB . 18901 1 892 . 1 1 85 85 ALA HB3 H 1 1.436 0.000 . . . . . A 85 ALA QB . 18901 1 893 . 1 1 85 85 ALA C C 13 178.113 0.000 . . . . . A 85 ALA C . 18901 1 894 . 1 1 85 85 ALA CA C 13 53.065 0.000 . . . . . A 85 ALA CA . 18901 1 895 . 1 1 85 85 ALA CB C 13 19.820 0.000 . . . . . A 85 ALA CB . 18901 1 896 . 1 1 85 85 ALA N N 15 119.819 0.000 . . . . . A 85 ALA N . 18901 1 897 . 1 1 86 86 HIS H H 1 8.280 0.000 . . . . . A 86 HIS H . 18901 1 898 . 1 1 86 86 HIS HA H 1 4.405 0.000 . . . . . A 86 HIS HA . 18901 1 899 . 1 1 86 86 HIS HB2 H 1 2.592 0.000 . . . . . A 86 HIS HB2 . 18901 1 900 . 1 1 86 86 HIS HB3 H 1 2.643 0.000 . . . . . A 86 HIS HB3 . 18901 1 901 . 1 1 86 86 HIS C C 13 175.333 0.000 . . . . . A 86 HIS C . 18901 1 902 . 1 1 86 86 HIS CA C 13 55.619 0.000 . . . . . A 86 HIS CA . 18901 1 903 . 1 1 86 86 HIS CB C 13 29.198 0.000 . . . . . A 86 HIS CB . 18901 1 904 . 1 1 86 86 HIS N N 15 118.388 0.000 . . . . . A 86 HIS N . 18901 1 905 . 1 1 87 87 ILE H H 1 7.873 0.000 . . . . . A 87 ILE H . 18901 1 906 . 1 1 87 87 ILE HA H 1 4.055 0.000 . . . . . A 87 ILE HA . 18901 1 907 . 1 1 87 87 ILE HB H 1 1.495 0.000 . . . . . A 87 ILE HB . 18901 1 908 . 1 1 87 87 ILE HG12 H 1 1.204 0.000 . . . . . A 87 ILE HG12 . 18901 1 909 . 1 1 87 87 ILE HG13 H 1 0.970 0.000 . . . . . A 87 ILE HG13 . 18901 1 910 . 1 1 87 87 ILE HG21 H 1 0.096 0.000 . . . . . A 87 ILE QG2 . 18901 1 911 . 1 1 87 87 ILE HG22 H 1 0.096 0.000 . . . . . A 87 ILE QG2 . 18901 1 912 . 1 1 87 87 ILE HG23 H 1 0.096 0.000 . . . . . A 87 ILE QG2 . 18901 1 913 . 1 1 87 87 ILE HD11 H 1 0.521 0.000 . . . . . A 87 ILE QD1 . 18901 1 914 . 1 1 87 87 ILE HD12 H 1 0.521 0.000 . . . . . A 87 ILE QD1 . 18901 1 915 . 1 1 87 87 ILE HD13 H 1 0.521 0.000 . . . . . A 87 ILE QD1 . 18901 1 916 . 1 1 87 87 ILE C C 13 174.718 0.000 . . . . . A 87 ILE C . 18901 1 917 . 1 1 87 87 ILE CA C 13 59.427 0.000 . . . . . A 87 ILE CA . 18901 1 918 . 1 1 87 87 ILE CB C 13 37.442 0.000 . . . . . A 87 ILE CB . 18901 1 919 . 1 1 87 87 ILE CG1 C 13 27.138 0.000 . . . . . A 87 ILE CG1 . 18901 1 920 . 1 1 87 87 ILE CG2 C 13 17.516 0.000 . . . . . A 87 ILE CG2 . 18901 1 921 . 1 1 87 87 ILE CD1 C 13 11.346 0.000 . . . . . A 87 ILE CD1 . 18901 1 922 . 1 1 87 87 ILE N N 15 126.618 0.000 . . . . . A 87 ILE N . 18901 1 923 . 1 1 88 88 ASP H H 1 8.572 0.000 . . . . . A 88 ASP H . 18901 1 924 . 1 1 88 88 ASP HA H 1 4.512 0.000 . . . . . A 88 ASP HA . 18901 1 925 . 1 1 88 88 ASP HB2 H 1 2.368 0.000 . . . . . A 88 ASP HB2 . 18901 1 926 . 1 1 88 88 ASP HB3 H 1 2.605 0.000 . . . . . A 88 ASP HB3 . 18901 1 927 . 1 1 88 88 ASP C C 13 176.506 0.000 . . . . . A 88 ASP C . 18901 1 928 . 1 1 88 88 ASP CA C 13 53.237 0.000 . . . . . A 88 ASP CA . 18901 1 929 . 1 1 88 88 ASP CB C 13 43.761 0.000 . . . . . A 88 ASP CB . 18901 1 930 . 1 1 88 88 ASP N N 15 124.684 0.000 . . . . . A 88 ASP N . 18901 1 931 . 1 1 89 89 TYR H H 1 8.533 0.000 . . . . . A 89 TYR H . 18901 1 932 . 1 1 89 89 TYR HA H 1 4.379 0.000 . . . . . A 89 TYR HA . 18901 1 933 . 1 1 89 89 TYR HB2 H 1 3.262 0.000 . . . . . A 89 TYR HB2 . 18901 1 934 . 1 1 89 89 TYR HB3 H 1 2.584 0.000 . . . . . A 89 TYR HB3 . 18901 1 935 . 1 1 89 89 TYR HD1 H 1 7.001 0.000 . . . . . A 89 TYR QD . 18901 1 936 . 1 1 89 89 TYR HD2 H 1 7.001 0.000 . . . . . A 89 TYR QD . 18901 1 937 . 1 1 89 89 TYR HE1 H 1 6.658 0.000 . . . . . A 89 TYR QE . 18901 1 938 . 1 1 89 89 TYR HE2 H 1 6.658 0.000 . . . . . A 89 TYR QE . 18901 1 939 . 1 1 89 89 TYR C C 13 176.631 0.000 . . . . . A 89 TYR C . 18901 1 940 . 1 1 89 89 TYR CA C 13 58.629 0.000 . . . . . A 89 TYR CA . 18901 1 941 . 1 1 89 89 TYR CB C 13 38.462 0.000 . . . . . A 89 TYR CB . 18901 1 942 . 1 1 89 89 TYR CD1 C 13 131.301 0.000 . . . . . A 89 TYR CD1 . 18901 1 943 . 1 1 89 89 TYR CD2 C 13 131.301 0.000 . . . . . A 89 TYR CD2 . 18901 1 944 . 1 1 89 89 TYR CE1 C 13 116.409 0.000 . . . . . A 89 TYR CE1 . 18901 1 945 . 1 1 89 89 TYR CE2 C 13 116.409 0.000 . . . . . A 89 TYR CE2 . 18901 1 946 . 1 1 89 89 TYR N N 15 122.959 0.000 . . . . . A 89 TYR N . 18901 1 947 . 1 1 90 90 THR H H 1 8.024 0.000 . . . . . A 90 THR H . 18901 1 948 . 1 1 90 90 THR HA H 1 3.974 0.000 . . . . . A 90 THR HA . 18901 1 949 . 1 1 90 90 THR HB H 1 4.091 0.000 . . . . . A 90 THR HB . 18901 1 950 . 1 1 90 90 THR HG21 H 1 1.216 0.000 . . . . . A 90 THR QG2 . 18901 1 951 . 1 1 90 90 THR HG22 H 1 1.216 0.000 . . . . . A 90 THR QG2 . 18901 1 952 . 1 1 90 90 THR HG23 H 1 1.216 0.000 . . . . . A 90 THR QG2 . 18901 1 953 . 1 1 90 90 THR C C 13 176.298 0.000 . . . . . A 90 THR C . 18901 1 954 . 1 1 90 90 THR CA C 13 65.610 0.000 . . . . . A 90 THR CA . 18901 1 955 . 1 1 90 90 THR CB C 13 68.758 0.000 . . . . . A 90 THR CB . 18901 1 956 . 1 1 90 90 THR CG2 C 13 21.879 0.000 . . . . . A 90 THR CG2 . 18901 1 957 . 1 1 90 90 THR N N 15 115.232 0.000 . . . . . A 90 THR N . 18901 1 958 . 1 1 91 91 THR H H 1 8.013 0.000 . . . . . A 91 THR H . 18901 1 959 . 1 1 91 91 THR HA H 1 4.290 0.000 . . . . . A 91 THR HA . 18901 1 960 . 1 1 91 91 THR HB H 1 4.186 0.000 . . . . . A 91 THR HB . 18901 1 961 . 1 1 91 91 THR HG21 H 1 1.122 0.000 . . . . . A 91 THR QG2 . 18901 1 962 . 1 1 91 91 THR HG22 H 1 1.122 0.000 . . . . . A 91 THR QG2 . 18901 1 963 . 1 1 91 91 THR HG23 H 1 1.122 0.000 . . . . . A 91 THR QG2 . 18901 1 964 . 1 1 91 91 THR C C 13 174.644 0.000 . . . . . A 91 THR C . 18901 1 965 . 1 1 91 91 THR CA C 13 61.288 0.000 . . . . . A 91 THR CA . 18901 1 966 . 1 1 91 91 THR CB C 13 69.418 0.000 . . . . . A 91 THR CB . 18901 1 967 . 1 1 91 91 THR CG2 C 13 22.224 0.000 . . . . . A 91 THR CG2 . 18901 1 968 . 1 1 91 91 THR N N 15 112.253 0.000 . . . . . A 91 THR N . 18901 1 969 . 1 1 92 92 LYS H H 1 7.883 0.000 . . . . . A 92 LYS H . 18901 1 970 . 1 1 92 92 LYS HA H 1 4.459 0.000 . . . . . A 92 LYS HA . 18901 1 971 . 1 1 92 92 LYS HB2 H 1 1.691 0.000 . . . . . A 92 LYS HB2 . 18901 1 972 . 1 1 92 92 LYS HB3 H 1 1.532 0.000 . . . . . A 92 LYS HB3 . 18901 1 973 . 1 1 92 92 LYS HG2 H 1 1.397 0.000 . . . . . A 92 LYS HG2 . 18901 1 974 . 1 1 92 92 LYS HG3 H 1 1.458 0.000 . . . . . A 92 LYS HG3 . 18901 1 975 . 1 1 92 92 LYS HE2 H 1 2.948 0.000 . . . . . A 92 LYS QE . 18901 1 976 . 1 1 92 92 LYS HE3 H 1 2.948 0.000 . . . . . A 92 LYS QE . 18901 1 977 . 1 1 92 92 LYS CA C 13 54.432 0.000 . . . . . A 92 LYS CA . 18901 1 978 . 1 1 92 92 LYS CB C 13 29.423 0.000 . . . . . A 92 LYS CB . 18901 1 979 . 1 1 92 92 LYS CG C 13 25.316 0.000 . . . . . A 92 LYS CG . 18901 1 980 . 1 1 92 92 LYS CE C 13 42.394 0.000 . . . . . A 92 LYS CE . 18901 1 981 . 1 1 92 92 LYS N N 15 121.833 0.000 . . . . . A 92 LYS N . 18901 1 982 . 1 1 93 93 PRO HA H 1 4.211 0.000 . . . . . A 93 PRO HA . 18901 1 983 . 1 1 93 93 PRO HB2 H 1 1.698 0.000 . . . . . A 93 PRO HB2 . 18901 1 984 . 1 1 93 93 PRO HB3 H 1 1.546 0.000 . . . . . A 93 PRO HB3 . 18901 1 985 . 1 1 93 93 PRO HG2 H 1 1.476 0.000 . . . . . A 93 PRO HG2 . 18901 1 986 . 1 1 93 93 PRO HG3 H 1 1.830 0.000 . . . . . A 93 PRO HG3 . 18901 1 987 . 1 1 93 93 PRO HD2 H 1 3.509 0.000 . . . . . A 93 PRO HD2 . 18901 1 988 . 1 1 93 93 PRO HD3 H 1 3.682 0.000 . . . . . A 93 PRO HD3 . 18901 1 989 . 1 1 93 93 PRO C C 13 176.775 0.000 . . . . . A 93 PRO C . 18901 1 990 . 1 1 93 93 PRO CA C 13 63.385 0.000 . . . . . A 93 PRO CA . 18901 1 991 . 1 1 93 93 PRO CB C 13 32.214 0.000 . . . . . A 93 PRO CB . 18901 1 992 . 1 1 93 93 PRO CG C 13 26.886 0.000 . . . . . A 93 PRO CG . 18901 1 993 . 1 1 93 93 PRO CD C 13 50.252 0.000 . . . . . A 93 PRO CD . 18901 1 994 . 1 1 94 94 ALA H H 1 8.072 0.000 . . . . . A 94 ALA H . 18901 1 995 . 1 1 94 94 ALA HA H 1 4.865 0.000 . . . . . A 94 ALA HA . 18901 1 996 . 1 1 94 94 ALA HB1 H 1 1.159 0.000 . . . . . A 94 ALA QB . 18901 1 997 . 1 1 94 94 ALA HB2 H 1 1.159 0.000 . . . . . A 94 ALA QB . 18901 1 998 . 1 1 94 94 ALA HB3 H 1 1.159 0.000 . . . . . A 94 ALA QB . 18901 1 999 . 1 1 94 94 ALA C C 13 175.790 0.000 . . . . . A 94 ALA C . 18901 1 1000 . 1 1 94 94 ALA CA C 13 51.011 0.000 . . . . . A 94 ALA CA . 18901 1 1001 . 1 1 94 94 ALA CB C 13 22.840 0.000 . . . . . A 94 ALA CB . 18901 1 1002 . 1 1 94 94 ALA N N 15 122.487 0.000 . . . . . A 94 ALA N . 18901 1 1003 . 1 1 95 95 ILE H H 1 8.099 0.000 . . . . . A 95 ILE H . 18901 1 1004 . 1 1 95 95 ILE HA H 1 4.291 0.000 . . . . . A 95 ILE HA . 18901 1 1005 . 1 1 95 95 ILE HB H 1 1.787 0.000 . . . . . A 95 ILE HB . 18901 1 1006 . 1 1 95 95 ILE HG12 H 1 0.981 0.000 . . . . . A 95 ILE HG12 . 18901 1 1007 . 1 1 95 95 ILE HG13 H 1 1.338 0.000 . . . . . A 95 ILE HG13 . 18901 1 1008 . 1 1 95 95 ILE HG21 H 1 0.535 0.000 . . . . . A 95 ILE QG2 . 18901 1 1009 . 1 1 95 95 ILE HG22 H 1 0.535 0.000 . . . . . A 95 ILE QG2 . 18901 1 1010 . 1 1 95 95 ILE HG23 H 1 0.535 0.000 . . . . . A 95 ILE QG2 . 18901 1 1011 . 1 1 95 95 ILE HD11 H 1 0.716 0.000 . . . . . A 95 ILE QD1 . 18901 1 1012 . 1 1 95 95 ILE HD12 H 1 0.716 0.000 . . . . . A 95 ILE QD1 . 18901 1 1013 . 1 1 95 95 ILE HD13 H 1 0.716 0.000 . . . . . A 95 ILE QD1 . 18901 1 1014 . 1 1 95 95 ILE C C 13 175.063 0.000 . . . . . A 95 ILE C . 18901 1 1015 . 1 1 95 95 ILE CA C 13 60.430 0.000 . . . . . A 95 ILE CA . 18901 1 1016 . 1 1 95 95 ILE CB C 13 40.656 0.000 . . . . . A 95 ILE CB . 18901 1 1017 . 1 1 95 95 ILE CG1 C 13 29.487 0.000 . . . . . A 95 ILE CG1 . 18901 1 1018 . 1 1 95 95 ILE CG2 C 13 18.089 0.000 . . . . . A 95 ILE CG2 . 18901 1 1019 . 1 1 95 95 ILE CD1 C 13 13.408 0.000 . . . . . A 95 ILE CD1 . 18901 1 1020 . 1 1 95 95 ILE N N 15 120.526 0.000 . . . . . A 95 ILE N . 18901 1 1021 . 1 1 96 96 ILE H H 1 9.393 0.000 . . . . . A 96 ILE H . 18901 1 1022 . 1 1 96 96 ILE HA H 1 4.954 0.000 . . . . . A 96 ILE HA . 18901 1 1023 . 1 1 96 96 ILE HB H 1 1.758 0.000 . . . . . A 96 ILE HB . 18901 1 1024 . 1 1 96 96 ILE HG12 H 1 1.400 0.000 . . . . . A 96 ILE HG12 . 18901 1 1025 . 1 1 96 96 ILE HG13 H 1 1.107 0.000 . . . . . A 96 ILE HG13 . 18901 1 1026 . 1 1 96 96 ILE HG21 H 1 0.911 0.000 . . . . . A 96 ILE QG2 . 18901 1 1027 . 1 1 96 96 ILE HG22 H 1 0.911 0.000 . . . . . A 96 ILE QG2 . 18901 1 1028 . 1 1 96 96 ILE HG23 H 1 0.911 0.000 . . . . . A 96 ILE QG2 . 18901 1 1029 . 1 1 96 96 ILE HD11 H 1 0.758 0.000 . . . . . A 96 ILE QD1 . 18901 1 1030 . 1 1 96 96 ILE HD12 H 1 0.758 0.000 . . . . . A 96 ILE QD1 . 18901 1 1031 . 1 1 96 96 ILE HD13 H 1 0.758 0.000 . . . . . A 96 ILE QD1 . 18901 1 1032 . 1 1 96 96 ILE C C 13 175.609 0.000 . . . . . A 96 ILE C . 18901 1 1033 . 1 1 96 96 ILE CA C 13 60.290 0.000 . . . . . A 96 ILE CA . 18901 1 1034 . 1 1 96 96 ILE CB C 13 39.899 0.000 . . . . . A 96 ILE CB . 18901 1 1035 . 1 1 96 96 ILE CG1 C 13 27.876 0.000 . . . . . A 96 ILE CG1 . 18901 1 1036 . 1 1 96 96 ILE CG2 C 13 18.278 0.000 . . . . . A 96 ILE CG2 . 18901 1 1037 . 1 1 96 96 ILE CD1 C 13 13.276 0.000 . . . . . A 96 ILE CD1 . 18901 1 1038 . 1 1 96 96 ILE N N 15 126.053 0.000 . . . . . A 96 ILE N . 18901 1 1039 . 1 1 97 97 PHE H H 1 8.626 0.000 . . . . . A 97 PHE H . 18901 1 1040 . 1 1 97 97 PHE HA H 1 6.017 0.000 . . . . . A 97 PHE HA . 18901 1 1041 . 1 1 97 97 PHE HB2 H 1 2.534 0.000 . . . . . A 97 PHE HB2 . 18901 1 1042 . 1 1 97 97 PHE HB3 H 1 2.824 0.000 . . . . . A 97 PHE HB3 . 18901 1 1043 . 1 1 97 97 PHE HD1 H 1 6.991 0.000 . . . . . A 97 PHE QD . 18901 1 1044 . 1 1 97 97 PHE HD2 H 1 6.991 0.000 . . . . . A 97 PHE QD . 18901 1 1045 . 1 1 97 97 PHE HE1 H 1 7.015 0.000 . . . . . A 97 PHE QE . 18901 1 1046 . 1 1 97 97 PHE HE2 H 1 7.015 0.000 . . . . . A 97 PHE QE . 18901 1 1047 . 1 1 97 97 PHE C C 13 177.044 0.000 . . . . . A 97 PHE C . 18901 1 1048 . 1 1 97 97 PHE CA C 13 55.769 0.000 . . . . . A 97 PHE CA . 18901 1 1049 . 1 1 97 97 PHE CB C 13 43.686 0.000 . . . . . A 97 PHE CB . 18901 1 1050 . 1 1 97 97 PHE CD1 C 13 130.251 0.000 . . . . . A 97 PHE CD1 . 18901 1 1051 . 1 1 97 97 PHE CD2 C 13 130.251 0.000 . . . . . A 97 PHE CD2 . 18901 1 1052 . 1 1 97 97 PHE CE1 C 13 129.139 0.000 . . . . . A 97 PHE CE1 . 18901 1 1053 . 1 1 97 97 PHE CE2 C 13 129.139 0.000 . . . . . A 97 PHE CE2 . 18901 1 1054 . 1 1 97 97 PHE N N 15 120.455 0.000 . . . . . A 97 PHE N . 18901 1 1055 . 1 1 98 98 ARG H H 1 9.041 0.000 . . . . . A 98 ARG H . 18901 1 1056 . 1 1 98 98 ARG HA H 1 5.441 0.000 . . . . . A 98 ARG HA . 18901 1 1057 . 1 1 98 98 ARG HB2 H 1 1.094 0.000 . . . . . A 98 ARG HB2 . 18901 1 1058 . 1 1 98 98 ARG HB3 H 1 1.284 0.000 . . . . . A 98 ARG HB3 . 18901 1 1059 . 1 1 98 98 ARG HG2 H 1 1.160 0.000 . . . . . A 98 ARG HG2 . 18901 1 1060 . 1 1 98 98 ARG HG3 H 1 1.245 0.000 . . . . . A 98 ARG HG3 . 18901 1 1061 . 1 1 98 98 ARG C C 13 176.125 0.000 . . . . . A 98 ARG C . 18901 1 1062 . 1 1 98 98 ARG CA C 13 54.963 0.000 . . . . . A 98 ARG CA . 18901 1 1063 . 1 1 98 98 ARG CB C 13 35.621 0.000 . . . . . A 98 ARG CB . 18901 1 1064 . 1 1 98 98 ARG CG C 13 28.376 0.000 . . . . . A 98 ARG CG . 18901 1 1065 . 1 1 98 98 ARG CD C 13 42.453 0.000 . . . . . A 98 ARG CD . 18901 1 1066 . 1 1 98 98 ARG N N 15 117.253 0.000 . . . . . A 98 ARG N . 18901 1 1067 . 1 1 99 99 ILE H H 1 8.499 0.000 . . . . . A 99 ILE H . 18901 1 1068 . 1 1 99 99 ILE HA H 1 5.019 0.000 . . . . . A 99 ILE HA . 18901 1 1069 . 1 1 99 99 ILE HB H 1 1.038 0.000 . . . . . A 99 ILE HB . 18901 1 1070 . 1 1 99 99 ILE HG12 H 1 1.112 0.000 . . . . . A 99 ILE HG12 . 18901 1 1071 . 1 1 99 99 ILE HG13 H 1 0.542 0.000 . . . . . A 99 ILE HG13 . 18901 1 1072 . 1 1 99 99 ILE HG21 H 1 -0.400 0.000 . . . . . A 99 ILE QG2 . 18901 1 1073 . 1 1 99 99 ILE HG22 H 1 -0.400 0.000 . . . . . A 99 ILE QG2 . 18901 1 1074 . 1 1 99 99 ILE HG23 H 1 -0.400 0.000 . . . . . A 99 ILE QG2 . 18901 1 1075 . 1 1 99 99 ILE HD11 H 1 0.083 0.000 . . . . . A 99 ILE QD1 . 18901 1 1076 . 1 1 99 99 ILE HD12 H 1 0.083 0.000 . . . . . A 99 ILE QD1 . 18901 1 1077 . 1 1 99 99 ILE HD13 H 1 0.083 0.000 . . . . . A 99 ILE QD1 . 18901 1 1078 . 1 1 99 99 ILE C C 13 174.486 0.000 . . . . . A 99 ILE C . 18901 1 1079 . 1 1 99 99 ILE CA C 13 60.934 0.000 . . . . . A 99 ILE CA . 18901 1 1080 . 1 1 99 99 ILE CB C 13 41.415 0.000 . . . . . A 99 ILE CB . 18901 1 1081 . 1 1 99 99 ILE CG1 C 13 27.932 0.000 . . . . . A 99 ILE CG1 . 18901 1 1082 . 1 1 99 99 ILE CG2 C 13 16.110 0.000 . . . . . A 99 ILE CG2 . 18901 1 1083 . 1 1 99 99 ILE CD1 C 13 14.895 0.000 . . . . . A 99 ILE CD1 . 18901 1 1084 . 1 1 99 99 ILE N N 15 120.894 0.000 . . . . . A 99 ILE N . 18901 1 1085 . 1 1 100 100 ALA H H 1 8.779 0.000 . . . . . A 100 ALA H . 18901 1 1086 . 1 1 100 100 ALA HA H 1 4.888 0.000 . . . . . A 100 ALA HA . 18901 1 1087 . 1 1 100 100 ALA HB1 H 1 1.359 0.000 . . . . . A 100 ALA QB . 18901 1 1088 . 1 1 100 100 ALA HB2 H 1 1.359 0.000 . . . . . A 100 ALA QB . 18901 1 1089 . 1 1 100 100 ALA HB3 H 1 1.359 0.000 . . . . . A 100 ALA QB . 18901 1 1090 . 1 1 100 100 ALA C C 13 175.044 0.000 . . . . . A 100 ALA C . 18901 1 1091 . 1 1 100 100 ALA CA C 13 51.356 0.000 . . . . . A 100 ALA CA . 18901 1 1092 . 1 1 100 100 ALA CB C 13 24.590 0.000 . . . . . A 100 ALA CB . 18901 1 1093 . 1 1 100 100 ALA N N 15 127.368 0.000 . . . . . A 100 ALA N . 18901 1 1094 . 1 1 101 101 ALA H H 1 9.955 0.000 . . . . . A 101 ALA H . 18901 1 1095 . 1 1 101 101 ALA HA H 1 5.118 0.000 . . . . . A 101 ALA HA . 18901 1 1096 . 1 1 101 101 ALA HB1 H 1 1.346 0.000 . . . . . A 101 ALA QB . 18901 1 1097 . 1 1 101 101 ALA HB2 H 1 1.346 0.000 . . . . . A 101 ALA QB . 18901 1 1098 . 1 1 101 101 ALA HB3 H 1 1.346 0.000 . . . . . A 101 ALA QB . 18901 1 1099 . 1 1 101 101 ALA C C 13 174.314 0.000 . . . . . A 101 ALA C . 18901 1 1100 . 1 1 101 101 ALA CA C 13 50.568 0.000 . . . . . A 101 ALA CA . 18901 1 1101 . 1 1 101 101 ALA CB C 13 24.621 0.000 . . . . . A 101 ALA CB . 18901 1 1102 . 1 1 101 101 ALA N N 15 123.472 0.000 . . . . . A 101 ALA N . 18901 1 1103 . 1 1 102 102 ARG H H 1 8.474 0.000 . . . . . A 102 ARG H . 18901 1 1104 . 1 1 102 102 ARG HA H 1 4.591 0.000 . . . . . A 102 ARG HA . 18901 1 1105 . 1 1 102 102 ARG HB2 H 1 0.632 0.000 . . . . . A 102 ARG HB2 . 18901 1 1106 . 1 1 102 102 ARG HB3 H 1 -0.146 0.000 . . . . . A 102 ARG HB3 . 18901 1 1107 . 1 1 102 102 ARG HG3 H 1 0.639 0.000 . . . . . A 102 ARG HG3 . 18901 1 1108 . 1 1 102 102 ARG HD2 H 1 2.444 0.000 . . . . . A 102 ARG HD2 . 18901 1 1109 . 1 1 102 102 ARG HD3 H 1 2.642 0.000 . . . . . A 102 ARG HD3 . 18901 1 1110 . 1 1 102 102 ARG C C 13 176.649 0.000 . . . . . A 102 ARG C . 18901 1 1111 . 1 1 102 102 ARG CA C 13 54.071 0.000 . . . . . A 102 ARG CA . 18901 1 1112 . 1 1 102 102 ARG CB C 13 33.170 0.000 . . . . . A 102 ARG CB . 18901 1 1113 . 1 1 102 102 ARG CG C 13 26.968 0.000 . . . . . A 102 ARG CG . 18901 1 1114 . 1 1 102 102 ARG CD C 13 43.867 0.000 . . . . . A 102 ARG CD . 18901 1 1115 . 1 1 102 102 ARG N N 15 119.295 0.000 . . . . . A 102 ARG N . 18901 1 1116 . 1 1 103 103 ASN H H 1 7.816 0.000 . . . . . A 103 ASN H . 18901 1 1117 . 1 1 103 103 ASN HA H 1 5.454 0.000 . . . . . A 103 ASN HA . 18901 1 1118 . 1 1 103 103 ASN HB2 H 1 3.450 0.000 . . . . . A 103 ASN HB2 . 18901 1 1119 . 1 1 103 103 ASN HB3 H 1 2.538 0.000 . . . . . A 103 ASN HB3 . 18901 1 1120 . 1 1 103 103 ASN HD21 H 1 7.614 0.000 . . . . . A 103 ASN QD2 . 18901 1 1121 . 1 1 103 103 ASN HD22 H 1 7.614 0.000 . . . . . A 103 ASN QD2 . 18901 1 1122 . 1 1 103 103 ASN C C 13 176.327 0.000 . . . . . A 103 ASN C . 18901 1 1123 . 1 1 103 103 ASN CA C 13 51.304 0.000 . . . . . A 103 ASN CA . 18901 1 1124 . 1 1 103 103 ASN CB C 13 39.659 0.000 . . . . . A 103 ASN CB . 18901 1 1125 . 1 1 103 103 ASN N N 15 124.198 0.000 . . . . . A 103 ASN N . 18901 1 1126 . 1 1 103 103 ASN ND2 N 15 110.764 0.000 . . . . . A 103 ASN ND2 . 18901 1 1127 . 1 1 104 104 GLU H H 1 9.416 0.000 . . . . . A 104 GLU H . 18901 1 1128 . 1 1 104 104 GLU HA H 1 3.853 0.000 . . . . . A 104 GLU HA . 18901 1 1129 . 1 1 104 104 GLU HB2 H 1 2.023 0.000 . . . . . A 104 GLU HB2 . 18901 1 1130 . 1 1 104 104 GLU HB3 H 1 1.905 0.000 . . . . . A 104 GLU HB3 . 18901 1 1131 . 1 1 104 104 GLU HG2 H 1 2.318 0.000 . . . . . A 104 GLU HG2 . 18901 1 1132 . 1 1 104 104 GLU HG3 H 1 2.218 0.000 . . . . . A 104 GLU HG3 . 18901 1 1133 . 1 1 104 104 GLU C C 13 177.716 0.000 . . . . . A 104 GLU C . 18901 1 1134 . 1 1 104 104 GLU CA C 13 59.905 0.000 . . . . . A 104 GLU CA . 18901 1 1135 . 1 1 104 104 GLU CB C 13 29.164 0.000 . . . . . A 104 GLU CB . 18901 1 1136 . 1 1 104 104 GLU CG C 13 36.911 0.000 . . . . . A 104 GLU CG . 18901 1 1137 . 1 1 104 104 GLU N N 15 115.270 0.000 . . . . . A 104 GLU N . 18901 1 1138 . 1 1 105 105 LYS H H 1 7.737 0.000 . . . . . A 105 LYS H . 18901 1 1139 . 1 1 105 105 LYS HA H 1 4.262 0.000 . . . . . A 105 LYS HA . 18901 1 1140 . 1 1 105 105 LYS HB2 H 1 1.658 0.000 . . . . . A 105 LYS HB2 . 18901 1 1141 . 1 1 105 105 LYS HG2 H 1 1.108 0.000 . . . . . A 105 LYS HG2 . 18901 1 1142 . 1 1 105 105 LYS HG3 H 1 1.171 0.000 . . . . . A 105 LYS HG3 . 18901 1 1143 . 1 1 105 105 LYS HD2 H 1 1.408 0.000 . . . . . A 105 LYS HD2 . 18901 1 1144 . 1 1 105 105 LYS HD3 H 1 1.289 0.000 . . . . . A 105 LYS HD3 . 18901 1 1145 . 1 1 105 105 LYS HE2 H 1 2.777 0.000 . . . . . A 105 LYS HE2 . 18901 1 1146 . 1 1 105 105 LYS C C 13 177.667 0.000 . . . . . A 105 LYS C . 18901 1 1147 . 1 1 105 105 LYS CA C 13 57.055 0.000 . . . . . A 105 LYS CA . 18901 1 1148 . 1 1 105 105 LYS CB C 13 33.051 0.000 . . . . . A 105 LYS CB . 18901 1 1149 . 1 1 105 105 LYS CG C 13 25.066 0.000 . . . . . A 105 LYS CG . 18901 1 1150 . 1 1 105 105 LYS CD C 13 28.551 0.000 . . . . . A 105 LYS CD . 18901 1 1151 . 1 1 105 105 LYS CE C 13 42.579 0.000 . . . . . A 105 LYS CE . 18901 1 1152 . 1 1 105 105 LYS N N 15 116.576 0.000 . . . . . A 105 LYS N . 18901 1 1153 . 1 1 106 106 GLY H H 1 7.906 0.000 . . . . . A 106 GLY H . 18901 1 1154 . 1 1 106 106 GLY HA2 H 1 3.695 0.000 . . . . . A 106 GLY HA2 . 18901 1 1155 . 1 1 106 106 GLY HA3 H 1 4.366 0.000 . . . . . A 106 GLY HA3 . 18901 1 1156 . 1 1 106 106 GLY C C 13 172.796 0.000 . . . . . A 106 GLY C . 18901 1 1157 . 1 1 106 106 GLY CA C 13 45.916 0.000 . . . . . A 106 GLY CA . 18901 1 1158 . 1 1 106 106 GLY N N 15 104.067 0.000 . . . . . A 106 GLY N . 18901 1 1159 . 1 1 107 107 TYR H H 1 8.378 0.000 . . . . . A 107 TYR H . 18901 1 1160 . 1 1 107 107 TYR HA H 1 4.749 0.000 . . . . . A 107 TYR HA . 18901 1 1161 . 1 1 107 107 TYR HB2 H 1 3.009 0.000 . . . . . A 107 TYR HB2 . 18901 1 1162 . 1 1 107 107 TYR HB3 H 1 2.626 0.000 . . . . . A 107 TYR HB3 . 18901 1 1163 . 1 1 107 107 TYR HD1 H 1 7.035 0.000 . . . . . A 107 TYR QD . 18901 1 1164 . 1 1 107 107 TYR HD2 H 1 7.035 0.000 . . . . . A 107 TYR QD . 18901 1 1165 . 1 1 107 107 TYR HE1 H 1 6.721 0.000 . . . . . A 107 TYR QE . 18901 1 1166 . 1 1 107 107 TYR HE2 H 1 6.721 0.000 . . . . . A 107 TYR QE . 18901 1 1167 . 1 1 107 107 TYR C C 13 178.772 0.000 . . . . . A 107 TYR C . 18901 1 1168 . 1 1 107 107 TYR CA C 13 59.800 0.000 . . . . . A 107 TYR CA . 18901 1 1169 . 1 1 107 107 TYR CB C 13 40.566 0.000 . . . . . A 107 TYR CB . 18901 1 1170 . 1 1 107 107 TYR CD1 C 13 131.866 0.000 . . . . . A 107 TYR CD1 . 18901 1 1171 . 1 1 107 107 TYR CD2 C 13 131.866 0.000 . . . . . A 107 TYR CD2 . 18901 1 1172 . 1 1 107 107 TYR CE1 C 13 117.991 0.000 . . . . . A 107 TYR CE1 . 18901 1 1173 . 1 1 107 107 TYR CE2 C 13 117.991 0.000 . . . . . A 107 TYR CE2 . 18901 1 1174 . 1 1 107 107 TYR N N 15 117.296 0.000 . . . . . A 107 TYR N . 18901 1 1175 . 1 1 108 108 GLY H H 1 8.651 0.000 . . . . . A 108 GLY H . 18901 1 1176 . 1 1 108 108 GLY HA2 H 1 4.184 0.000 . . . . . A 108 GLY QA . 18901 1 1177 . 1 1 108 108 GLY HA3 H 1 4.184 0.000 . . . . . A 108 GLY QA . 18901 1 1178 . 1 1 108 108 GLY CA C 13 44.262 0.000 . . . . . A 108 GLY CA . 18901 1 1179 . 1 1 108 108 GLY N N 15 107.379 0.000 . . . . . A 108 GLY N . 18901 1 1180 . 1 1 109 109 PRO HB2 H 1 2.189 0.000 . . . . . A 109 PRO HB2 . 18901 1 1181 . 1 1 109 109 PRO HG3 H 1 1.934 0.000 . . . . . A 109 PRO HG3 . 18901 1 1182 . 1 1 109 109 PRO HD2 H 1 3.837 0.000 . . . . . A 109 PRO HD2 . 18901 1 1183 . 1 1 109 109 PRO HD3 H 1 3.478 0.000 . . . . . A 109 PRO HD3 . 18901 1 1184 . 1 1 109 109 PRO CA C 13 61.945 0.000 . . . . . A 109 PRO CA . 18901 1 1185 . 1 1 109 109 PRO CG C 13 27.409 0.000 . . . . . A 109 PRO CG . 18901 1 1186 . 1 1 109 109 PRO CD C 13 49.690 0.000 . . . . . A 109 PRO CD . 18901 1 1187 . 1 1 110 110 ALA HA H 1 4.871 0.000 . . . . . A 110 ALA HA . 18901 1 1188 . 1 1 110 110 ALA HB1 H 1 1.002 0.000 . . . . . A 110 ALA QB . 18901 1 1189 . 1 1 110 110 ALA HB2 H 1 1.002 0.000 . . . . . A 110 ALA QB . 18901 1 1190 . 1 1 110 110 ALA HB3 H 1 1.002 0.000 . . . . . A 110 ALA QB . 18901 1 1191 . 1 1 110 110 ALA C C 13 179.404 0.000 . . . . . A 110 ALA C . 18901 1 1192 . 1 1 110 110 ALA CA C 13 50.268 0.000 . . . . . A 110 ALA CA . 18901 1 1193 . 1 1 110 110 ALA CB C 13 20.115 0.000 . . . . . A 110 ALA CB . 18901 1 1194 . 1 1 111 111 THR H H 1 8.810 0.000 . . . . . A 111 THR H . 18901 1 1195 . 1 1 111 111 THR HA H 1 4.396 0.000 . . . . . A 111 THR HA . 18901 1 1196 . 1 1 111 111 THR HB H 1 3.730 0.000 . . . . . A 111 THR HB . 18901 1 1197 . 1 1 111 111 THR HG21 H 1 1.065 0.000 . . . . . A 111 THR QG2 . 18901 1 1198 . 1 1 111 111 THR HG22 H 1 1.065 0.000 . . . . . A 111 THR QG2 . 18901 1 1199 . 1 1 111 111 THR HG23 H 1 1.065 0.000 . . . . . A 111 THR QG2 . 18901 1 1200 . 1 1 111 111 THR C C 13 173.449 0.000 . . . . . A 111 THR C . 18901 1 1201 . 1 1 111 111 THR CA C 13 61.721 0.000 . . . . . A 111 THR CA . 18901 1 1202 . 1 1 111 111 THR CB C 13 69.967 0.000 . . . . . A 111 THR CB . 18901 1 1203 . 1 1 111 111 THR CG2 C 13 22.988 0.000 . . . . . A 111 THR CG2 . 18901 1 1204 . 1 1 111 111 THR N N 15 118.432 0.000 . . . . . A 111 THR N . 18901 1 1205 . 1 1 112 112 GLN H H 1 8.698 0.000 . . . . . A 112 GLN H . 18901 1 1206 . 1 1 112 112 GLN HA H 1 5.337 0.000 . . . . . A 112 GLN HA . 18901 1 1207 . 1 1 112 112 GLN HB2 H 1 1.841 0.000 . . . . . A 112 GLN HB2 . 18901 1 1208 . 1 1 112 112 GLN HB3 H 1 2.024 0.000 . . . . . A 112 GLN HB3 . 18901 1 1209 . 1 1 112 112 GLN HG2 H 1 2.108 0.000 . . . . . A 112 GLN QG . 18901 1 1210 . 1 1 112 112 GLN HG3 H 1 2.108 0.000 . . . . . A 112 GLN QG . 18901 1 1211 . 1 1 112 112 GLN HE21 H 1 7.500 0.000 . . . . . A 112 GLN HE21 . 18901 1 1212 . 1 1 112 112 GLN HE22 H 1 6.833 0.000 . . . . . A 112 GLN HE22 . 18901 1 1213 . 1 1 112 112 GLN C C 13 175.442 0.000 . . . . . A 112 GLN C . 18901 1 1214 . 1 1 112 112 GLN CA C 13 54.803 0.000 . . . . . A 112 GLN CA . 18901 1 1215 . 1 1 112 112 GLN CB C 13 31.753 0.000 . . . . . A 112 GLN CB . 18901 1 1216 . 1 1 112 112 GLN CG C 13 35.889 0.000 . . . . . A 112 GLN CG . 18901 1 1217 . 1 1 112 112 GLN N N 15 127.590 0.000 . . . . . A 112 GLN N . 18901 1 1218 . 1 1 112 112 GLN NE2 N 15 110.806 0.000 . . . . . A 112 GLN NE2 . 18901 1 1219 . 1 1 113 113 VAL H H 1 9.101 0.000 . . . . . A 113 VAL H . 18901 1 1220 . 1 1 113 113 VAL HA H 1 4.574 0.000 . . . . . A 113 VAL HA . 18901 1 1221 . 1 1 113 113 VAL HB H 1 1.981 0.000 . . . . . A 113 VAL HB . 18901 1 1222 . 1 1 113 113 VAL HG11 H 1 0.855 0.000 . . . . . A 113 VAL QG1 . 18901 1 1223 . 1 1 113 113 VAL HG12 H 1 0.855 0.000 . . . . . A 113 VAL QG1 . 18901 1 1224 . 1 1 113 113 VAL HG13 H 1 0.855 0.000 . . . . . A 113 VAL QG1 . 18901 1 1225 . 1 1 113 113 VAL HG21 H 1 0.914 0.000 . . . . . A 113 VAL QG2 . 18901 1 1226 . 1 1 113 113 VAL HG22 H 1 0.914 0.000 . . . . . A 113 VAL QG2 . 18901 1 1227 . 1 1 113 113 VAL HG23 H 1 0.914 0.000 . . . . . A 113 VAL QG2 . 18901 1 1228 . 1 1 113 113 VAL C C 13 173.891 0.000 . . . . . A 113 VAL C . 18901 1 1229 . 1 1 113 113 VAL CA C 13 60.284 0.000 . . . . . A 113 VAL CA . 18901 1 1230 . 1 1 113 113 VAL CB C 13 36.064 0.000 . . . . . A 113 VAL CB . 18901 1 1231 . 1 1 113 113 VAL CG1 C 13 21.070 0.000 . . . . . A 113 VAL CG1 . 18901 1 1232 . 1 1 113 113 VAL CG2 C 13 21.664 0.000 . . . . . A 113 VAL CG2 . 18901 1 1233 . 1 1 113 113 VAL N N 15 123.646 0.000 . . . . . A 113 VAL N . 18901 1 1234 . 1 1 114 114 ARG H H 1 8.434 0.000 . . . . . A 114 ARG H . 18901 1 1235 . 1 1 114 114 ARG HA H 1 4.933 0.000 . . . . . A 114 ARG HA . 18901 1 1236 . 1 1 114 114 ARG HB2 H 1 1.708 0.000 . . . . . A 114 ARG HB2 . 18901 1 1237 . 1 1 114 114 ARG HB3 H 1 1.555 0.000 . . . . . A 114 ARG HB3 . 18901 1 1238 . 1 1 114 114 ARG HG2 H 1 1.580 0.000 . . . . . A 114 ARG HG2 . 18901 1 1239 . 1 1 114 114 ARG HG3 H 1 1.340 0.000 . . . . . A 114 ARG HG3 . 18901 1 1240 . 1 1 114 114 ARG HD2 H 1 3.103 0.000 . . . . . A 114 ARG HD2 . 18901 1 1241 . 1 1 114 114 ARG HD3 H 1 3.219 0.000 . . . . . A 114 ARG HD3 . 18901 1 1242 . 1 1 114 114 ARG C C 13 175.683 0.000 . . . . . A 114 ARG C . 18901 1 1243 . 1 1 114 114 ARG CA C 13 54.749 0.000 . . . . . A 114 ARG CA . 18901 1 1244 . 1 1 114 114 ARG CB C 13 32.053 0.000 . . . . . A 114 ARG CB . 18901 1 1245 . 1 1 114 114 ARG CG C 13 28.312 0.000 . . . . . A 114 ARG CG . 18901 1 1246 . 1 1 114 114 ARG CD C 13 43.708 0.000 . . . . . A 114 ARG CD . 18901 1 1247 . 1 1 114 114 ARG N N 15 122.944 0.000 . . . . . A 114 ARG N . 18901 1 1248 . 1 1 115 115 TRP H H 1 9.944 0.000 . . . . . A 115 TRP H . 18901 1 1249 . 1 1 115 115 TRP HA H 1 5.257 0.000 . . . . . A 115 TRP HA . 18901 1 1250 . 1 1 115 115 TRP HB2 H 1 3.533 0.000 . . . . . A 115 TRP HB2 . 18901 1 1251 . 1 1 115 115 TRP HB3 H 1 2.831 0.000 . . . . . A 115 TRP HB3 . 18901 1 1252 . 1 1 115 115 TRP HD1 H 1 7.465 0.000 . . . . . A 115 TRP HD1 . 18901 1 1253 . 1 1 115 115 TRP HE1 H 1 10.296 0.000 . . . . . A 115 TRP HE1 . 18901 1 1254 . 1 1 115 115 TRP HE3 H 1 7.431 0.000 . . . . . A 115 TRP HE3 . 18901 1 1255 . 1 1 115 115 TRP HZ2 H 1 7.289 0.000 . . . . . A 115 TRP HZ2 . 18901 1 1256 . 1 1 115 115 TRP HZ3 H 1 7.038 0.000 . . . . . A 115 TRP HZ3 . 18901 1 1257 . 1 1 115 115 TRP HH2 H 1 7.074 0.000 . . . . . A 115 TRP HH2 . 18901 1 1258 . 1 1 115 115 TRP CA C 13 54.521 0.000 . . . . . A 115 TRP CA . 18901 1 1259 . 1 1 115 115 TRP CB C 13 30.048 0.000 . . . . . A 115 TRP CB . 18901 1 1260 . 1 1 115 115 TRP CD1 C 13 125.366 0.000 . . . . . A 115 TRP CD1 . 18901 1 1261 . 1 1 115 115 TRP CE3 C 13 118.558 0.000 . . . . . A 115 TRP CE3 . 18901 1 1262 . 1 1 115 115 TRP CZ2 C 13 112.529 0.000 . . . . . A 115 TRP CZ2 . 18901 1 1263 . 1 1 115 115 TRP CZ3 C 13 119.579 0.000 . . . . . A 115 TRP CZ3 . 18901 1 1264 . 1 1 115 115 TRP CH2 C 13 122.185 0.000 . . . . . A 115 TRP CH2 . 18901 1 1265 . 1 1 115 115 TRP N N 15 126.067 0.000 . . . . . A 115 TRP N . 18901 1 1266 . 1 1 115 115 TRP NE1 N 15 130.125 0.000 . . . . . A 115 TRP NE1 . 18901 1 1267 . 1 1 116 116 LEU H H 1 8.722 0.000 . . . . . A 116 LEU H . 18901 1 1268 . 1 1 116 116 LEU HA H 1 4.263 0.000 . . . . . A 116 LEU HA . 18901 1 1269 . 1 1 116 116 LEU HB2 H 1 1.677 0.000 . . . . . A 116 LEU HB2 . 18901 1 1270 . 1 1 116 116 LEU HB3 H 1 1.404 0.000 . . . . . A 116 LEU HB3 . 18901 1 1271 . 1 1 116 116 LEU HG H 1 1.664 0.000 . . . . . A 116 LEU HG . 18901 1 1272 . 1 1 116 116 LEU HD11 H 1 0.881 0.000 . . . . . A 116 LEU QD1 . 18901 1 1273 . 1 1 116 116 LEU HD12 H 1 0.881 0.000 . . . . . A 116 LEU QD1 . 18901 1 1274 . 1 1 116 116 LEU HD13 H 1 0.881 0.000 . . . . . A 116 LEU QD1 . 18901 1 1275 . 1 1 116 116 LEU HD21 H 1 0.754 0.000 . . . . . A 116 LEU QD2 . 18901 1 1276 . 1 1 116 116 LEU HD22 H 1 0.754 0.000 . . . . . A 116 LEU QD2 . 18901 1 1277 . 1 1 116 116 LEU HD23 H 1 0.754 0.000 . . . . . A 116 LEU QD2 . 18901 1 1278 . 1 1 116 116 LEU CA C 13 55.697 0.000 . . . . . A 116 LEU CA . 18901 1 1279 . 1 1 116 116 LEU CB C 13 41.727 0.000 . . . . . A 116 LEU CB . 18901 1 1280 . 1 1 116 116 LEU CG C 13 27.760 0.000 . . . . . A 116 LEU CG . 18901 1 1281 . 1 1 116 116 LEU CD1 C 13 25.473 0.000 . . . . . A 116 LEU CD1 . 18901 1 1282 . 1 1 116 116 LEU CD2 C 13 24.145 0.000 . . . . . A 116 LEU CD2 . 18901 1 1283 . 1 1 116 116 LEU N N 15 130.031 0.000 . . . . . A 116 LEU N . 18901 1 1284 . 1 1 117 117 GLN H H 1 7.453 0.000 . . . . . A 117 GLN H . 18901 1 1285 . 1 1 117 117 GLN HA H 1 4.048 0.000 . . . . . A 117 GLN HA . 18901 1 1286 . 1 1 117 117 GLN HB2 H 1 1.793 0.000 . . . . . A 117 GLN HB2 . 18901 1 1287 . 1 1 117 117 GLN HB3 H 1 1.967 0.000 . . . . . A 117 GLN HB3 . 18901 1 1288 . 1 1 117 117 GLN HG3 H 1 2.075 0.000 . . . . . A 117 GLN HG3 . 18901 1 1289 . 1 1 117 117 GLN CA C 13 57.436 0.000 . . . . . A 117 GLN CA . 18901 1 1290 . 1 1 117 117 GLN CB C 13 31.668 0.000 . . . . . A 117 GLN CB . 18901 1 1291 . 1 1 117 117 GLN CG C 13 35.885 0.000 . . . . . A 117 GLN CG . 18901 1 1292 . 1 1 117 117 GLN N N 15 124.737 0.000 . . . . . A 117 GLN N . 18901 1 1293 . 1 1 118 118 GLU H H 1 7.891 0.000 . . . . . A 118 GLU H . 18901 1 1294 . 1 1 118 118 GLU HA H 1 3.395 0.000 . . . . . A 118 GLU HA . 18901 1 1295 . 1 1 118 118 GLU HB2 H 1 1.525 0.000 . . . . . A 118 GLU HB2 . 18901 1 1296 . 1 1 118 118 GLU HG2 H 1 1.681 0.000 . . . . . A 118 GLU HG2 . 18901 1 1297 . 1 1 118 118 GLU HG3 H 1 1.761 0.000 . . . . . A 118 GLU HG3 . 18901 1 1298 . 1 1 118 118 GLU CA C 13 54.682 0.000 . . . . . A 118 GLU CA . 18901 1 1299 . 1 1 118 118 GLU CB C 13 29.372 0.000 . . . . . A 118 GLU CB . 18901 1 1300 . 1 1 118 118 GLU CG C 13 34.002 0.000 . . . . . A 118 GLU CG . 18901 1 1301 . 1 1 118 118 GLU N N 15 118.531 0.000 . . . . . A 118 GLU N . 18901 1 1302 . 1 1 119 119 THR H H 1 7.892 0.000 . . . . . A 119 THR H . 18901 1 1303 . 1 1 119 119 THR HA H 1 4.267 0.000 . . . . . A 119 THR HA . 18901 1 1304 . 1 1 119 119 THR HB H 1 4.267 0.000 . . . . . A 119 THR HB . 18901 1 1305 . 1 1 119 119 THR HG21 H 1 1.145 0.000 . . . . . A 119 THR QG2 . 18901 1 1306 . 1 1 119 119 THR HG22 H 1 1.145 0.000 . . . . . A 119 THR QG2 . 18901 1 1307 . 1 1 119 119 THR HG23 H 1 1.145 0.000 . . . . . A 119 THR QG2 . 18901 1 1308 . 1 1 119 119 THR CA C 13 55.604 0.000 . . . . . A 119 THR CA . 18901 1 1309 . 1 1 119 119 THR CB C 13 69.285 0.000 . . . . . A 119 THR CB . 18901 1 1310 . 1 1 119 119 THR CG2 C 13 22.160 0.000 . . . . . A 119 THR CG2 . 18901 1 1311 . 1 1 119 119 THR N N 15 121.831 0.000 . . . . . A 119 THR N . 18901 1 stop_ save_