data_15276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15276 _Entry.Title ; 1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-01 _Entry.Accession_date 2007-06-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Luis Gutierrez-Gonzalez . H. . 15276 2 Lucia Muresanu . . . 15276 3 Luis 'del Pozo-Yauner' . . . 15276 4 Rosalba Sanchez . . . 15276 5 Leopoldo Guereca . . . 15276 6 Baltazar Becerril . . . 15276 7 Christian Luecke . . . 15276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 464 15276 '15N chemical shifts' 119 15276 '1H chemical shifts' 713 15276 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 3 . . 2009-08-12 2007-12-21 update BMRB 'added PubMed ID' 15276 2 . . 2007-12-21 2007-12-21 update BMRB 'complete entry citation' 15276 1 . . 2007-09-17 2007-06-01 original author 'original release' 15276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1CD0 'X-ray structure of the human lambda-VI light chain dimer JTO' 15276 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19636854 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignment of 6aJL2(R25G), a highly fibrillogenic lamdaVI light chain variable domain.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 1 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 159 _Citation.Page_last 161 _Citation.Year 2007 _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 Luis Gutierrez-Gonzalez . H. . 15276 1 2 Lucia Muresanu . . . 15276 1 3 Luis 'del Pozo-Yauner' . . . 15276 1 4 Rosalba Sanchez . . . 15276 1 5 Leopoldo Guereca . . . 15276 1 6 Baltazar Becerril . . . 15276 1 7 Christian Lucke . . . 15276 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'AL amyloidosis' 15276 1 'hypervariable loops' 15276 1 immunoglobulin 15276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15276 _Assembly.ID 1 _Assembly.Name 6aJL2 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _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 6aJL2 1 $6aJL2 A . yes native no no . . . 15276 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulphide single . 1 6aJL2 1 CYS 22 22 SG . 1 6aJL2 1 CYS 91 91 SG 1 6aJL2 23 cys SG 1 6aJL2 92 cys SG 15276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_6aJL2 _Entity.Sf_category entity _Entity.Sf_framecode 6aJL2 _Entity.Entry_ID 15276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 6aJL2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; NFMLTQPHSVSESPGKTVTI SCTGSSGSIASNYVQWYQQR PGSSPTTVIYEDNQRPSGVP DRFSGSIDSSSNSASLTISG LKTEDEADYYCQSYDSSNHV VFGGGTKLTVL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq ; N1-T19 I21-L112 ; _Entity.Polymer_author_seq_details 'Residue number 20 does not exist in this sequence numbering' _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 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 6aJL2 _Entity.Mutation R25G _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11853.8 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 19798 . entity . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 15276 1 2 no BMRB 19870 . 6aJL2 . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 15276 1 3 no PDB 2MKW . "Solution Structure Of 6ajl2 And 6ajl2-r24g Amyloidogenics Light Chain Proteins" . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 15276 1 4 no PDB 2MMX . "Nmr Study Of 6ajl2" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 15276 1 5 no PDB 2W0K . "Crystal Structure Of The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 99.10 99.10 3.78e-72 . . . . 15276 1 6 no PDB 2W0L . "Crystal Structure Of The Mutant H8p From The Recombinant Variable Domain 6jal2" . . . . . 100.00 111 98.20 98.20 1.86e-70 . . . . 15276 1 7 no PDB 3B5G . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 98.20 98.20 3.91e-71 . . . . 15276 1 8 no PDB 3BDX . "Crystal Structure Of The Unstable And Highly Fibrillogenic Pro7ser Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 98.20 98.20 3.91e-71 . . . . 15276 1 9 no PDB 5C9K . "Crystal Structure Of A Highly Fibrillogenic Arg24gly Mutant Of The Recombinant Variable Domain 6ajl2" . . . . . 100.00 111 100.00 100.00 3.21e-73 . . . . 15276 1 10 no DBJ BAA19991 . "V1-22 [Homo sapiens]" . . . . . 88.29 98 98.98 98.98 9.24e-62 . . . . 15276 1 11 no DBJ BAC01822 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 264 98.20 99.10 4.73e-71 . . . . 15276 1 12 no DBJ BAC01823 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 99.10 99.10 2.45e-71 . . . . 15276 1 13 no DBJ BAC01824 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 263 97.30 98.20 1.62e-59 . . . . 15276 1 14 no DBJ BAC01857 . "immunoglobulin lambda light chain VLJ region [Homo sapiens]" . . . . . 100.00 261 97.30 98.20 6.17e-70 . . . . 15276 1 15 no EMBL CAD43014 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 100.00 112 97.30 97.30 2.28e-69 . . . . 15276 1 16 no EMBL CAJ75494 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 71.17 79 98.73 100.00 3.91e-47 . . . . 15276 1 17 no EMBL CAJ75495 . "immunoglobulin lambda light chain [Homo sapiens]" . . . . . 79.28 97 98.86 100.00 2.42e-54 . . . . 15276 1 18 no EMBL CAP74492 . "immunoglobulin lambda variable region [Homo sapiens]" . . . . . 88.29 98 97.96 100.00 8.37e-62 . . . . 15276 1 19 no EMBL CAP74493 . "immunoglobulin lambda variable region [Homo sapiens]" . . . . . 81.98 96 97.80 98.90 2.19e-55 . . . . 15276 1 20 no GB AAB33217 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 88.29 98 98.98 98.98 9.24e-62 . . . . 15276 1 21 no GB AAG24687 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 96 97.80 98.90 6.37e-55 . . . . 15276 1 22 no GB AAG24691 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 94 97.80 98.90 8.51e-55 . . . . 15276 1 23 no GB AAG47681 . "immunoglobulin lambda chain variable region [Homo sapiens]" . . . . . 75.68 84 98.81 98.81 6.56e-51 . . . . 15276 1 24 no GB AAM46210 . "immunoglobulin lambda light chain variable region [Homo sapiens]" . . . . . 81.98 90 97.80 97.80 3.94e-53 . . . . 15276 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'antigen recognition' 15276 1 'humoral immune response' 15276 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 ASN . 15276 1 2 2 PHE . 15276 1 3 3 MET . 15276 1 4 4 LEU . 15276 1 5 5 THR . 15276 1 6 6 GLN . 15276 1 7 7 PRO . 15276 1 8 8 HIS . 15276 1 9 9 SER . 15276 1 10 10 VAL . 15276 1 11 11 SER . 15276 1 12 12 GLU . 15276 1 13 13 SER . 15276 1 14 14 PRO . 15276 1 15 15 GLY . 15276 1 16 16 LYS . 15276 1 17 17 THR . 15276 1 18 18 VAL . 15276 1 19 19 THR . 15276 1 20 21 ILE . 15276 1 21 22 SER . 15276 1 22 23 CYS . 15276 1 23 24 THR . 15276 1 24 25 GLY . 15276 1 25 26 SER . 15276 1 26 27 SER . 15276 1 27 28 GLY . 15276 1 28 29 SER . 15276 1 29 30 ILE . 15276 1 30 31 ALA . 15276 1 31 32 SER . 15276 1 32 33 ASN . 15276 1 33 34 TYR . 15276 1 34 35 VAL . 15276 1 35 36 GLN . 15276 1 36 37 TRP . 15276 1 37 38 TYR . 15276 1 38 39 GLN . 15276 1 39 40 GLN . 15276 1 40 41 ARG . 15276 1 41 42 PRO . 15276 1 42 43 GLY . 15276 1 43 44 SER . 15276 1 44 45 SER . 15276 1 45 46 PRO . 15276 1 46 47 THR . 15276 1 47 48 THR . 15276 1 48 49 VAL . 15276 1 49 50 ILE . 15276 1 50 51 TYR . 15276 1 51 52 GLU . 15276 1 52 53 ASP . 15276 1 53 54 ASN . 15276 1 54 55 GLN . 15276 1 55 56 ARG . 15276 1 56 57 PRO . 15276 1 57 58 SER . 15276 1 58 59 GLY . 15276 1 59 60 VAL . 15276 1 60 61 PRO . 15276 1 61 62 ASP . 15276 1 62 63 ARG . 15276 1 63 64 PHE . 15276 1 64 65 SER . 15276 1 65 66 GLY . 15276 1 66 67 SER . 15276 1 67 68 ILE . 15276 1 68 69 ASP . 15276 1 69 70 SER . 15276 1 70 71 SER . 15276 1 71 72 SER . 15276 1 72 73 ASN . 15276 1 73 74 SER . 15276 1 74 75 ALA . 15276 1 75 76 SER . 15276 1 76 77 LEU . 15276 1 77 78 THR . 15276 1 78 79 ILE . 15276 1 79 80 SER . 15276 1 80 81 GLY . 15276 1 81 82 LEU . 15276 1 82 83 LYS . 15276 1 83 84 THR . 15276 1 84 85 GLU . 15276 1 85 86 ASP . 15276 1 86 87 GLU . 15276 1 87 88 ALA . 15276 1 88 89 ASP . 15276 1 89 90 TYR . 15276 1 90 91 TYR . 15276 1 91 92 CYS . 15276 1 92 93 GLN . 15276 1 93 94 SER . 15276 1 94 95 TYR . 15276 1 95 96 ASP . 15276 1 96 97 SER . 15276 1 97 98 SER . 15276 1 98 99 ASN . 15276 1 99 100 HIS . 15276 1 100 101 VAL . 15276 1 101 102 VAL . 15276 1 102 103 PHE . 15276 1 103 104 GLY . 15276 1 104 105 GLY . 15276 1 105 106 GLY . 15276 1 106 107 THR . 15276 1 107 108 LYS . 15276 1 108 109 LEU . 15276 1 109 110 THR . 15276 1 110 111 VAL . 15276 1 111 112 LEU . 15276 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 . ASN 1 1 15276 1 . PHE 2 2 15276 1 . MET 3 3 15276 1 . LEU 4 4 15276 1 . THR 5 5 15276 1 . GLN 6 6 15276 1 . PRO 7 7 15276 1 . HIS 8 8 15276 1 . SER 9 9 15276 1 . VAL 10 10 15276 1 . SER 11 11 15276 1 . GLU 12 12 15276 1 . SER 13 13 15276 1 . PRO 14 14 15276 1 . GLY 15 15 15276 1 . LYS 16 16 15276 1 . THR 17 17 15276 1 . VAL 18 18 15276 1 . THR 19 19 15276 1 . ILE 20 20 15276 1 . SER 21 21 15276 1 . CYS 22 22 15276 1 . THR 23 23 15276 1 . GLY 24 24 15276 1 . SER 25 25 15276 1 . SER 26 26 15276 1 . GLY 27 27 15276 1 . SER 28 28 15276 1 . ILE 29 29 15276 1 . ALA 30 30 15276 1 . SER 31 31 15276 1 . ASN 32 32 15276 1 . TYR 33 33 15276 1 . VAL 34 34 15276 1 . GLN 35 35 15276 1 . TRP 36 36 15276 1 . TYR 37 37 15276 1 . GLN 38 38 15276 1 . GLN 39 39 15276 1 . ARG 40 40 15276 1 . PRO 41 41 15276 1 . GLY 42 42 15276 1 . SER 43 43 15276 1 . SER 44 44 15276 1 . PRO 45 45 15276 1 . THR 46 46 15276 1 . THR 47 47 15276 1 . VAL 48 48 15276 1 . ILE 49 49 15276 1 . TYR 50 50 15276 1 . GLU 51 51 15276 1 . ASP 52 52 15276 1 . ASN 53 53 15276 1 . GLN 54 54 15276 1 . ARG 55 55 15276 1 . PRO 56 56 15276 1 . SER 57 57 15276 1 . GLY 58 58 15276 1 . VAL 59 59 15276 1 . PRO 60 60 15276 1 . ASP 61 61 15276 1 . ARG 62 62 15276 1 . PHE 63 63 15276 1 . SER 64 64 15276 1 . GLY 65 65 15276 1 . SER 66 66 15276 1 . ILE 67 67 15276 1 . ASP 68 68 15276 1 . SER 69 69 15276 1 . SER 70 70 15276 1 . SER 71 71 15276 1 . ASN 72 72 15276 1 . SER 73 73 15276 1 . ALA 74 74 15276 1 . SER 75 75 15276 1 . LEU 76 76 15276 1 . THR 77 77 15276 1 . ILE 78 78 15276 1 . SER 79 79 15276 1 . GLY 80 80 15276 1 . LEU 81 81 15276 1 . LYS 82 82 15276 1 . THR 83 83 15276 1 . GLU 84 84 15276 1 . ASP 85 85 15276 1 . GLU 86 86 15276 1 . ALA 87 87 15276 1 . ASP 88 88 15276 1 . TYR 89 89 15276 1 . TYR 90 90 15276 1 . CYS 91 91 15276 1 . GLN 92 92 15276 1 . SER 93 93 15276 1 . TYR 94 94 15276 1 . ASP 95 95 15276 1 . SER 96 96 15276 1 . SER 97 97 15276 1 . ASN 98 98 15276 1 . HIS 99 99 15276 1 . VAL 100 100 15276 1 . VAL 101 101 15276 1 . PHE 102 102 15276 1 . GLY 103 103 15276 1 . GLY 104 104 15276 1 . GLY 105 105 15276 1 . THR 106 106 15276 1 . LYS 107 107 15276 1 . LEU 108 108 15276 1 . THR 109 109 15276 1 . VAL 110 110 15276 1 . LEU 111 111 15276 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 15276 _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 $6aJL2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15276 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 15276 _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 $6aJL2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET27b . . . 'R25G variant' . . 15276 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15276 _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 6aJL2 'natural abundance' . . 1 $6aJL2 . . 1.2 . . mM . . . . 15276 1 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15276 1 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15276 1 4 H2O . . . . . . . 95 . . % . . . . 15276 1 5 D2O . . . . . . . 5 . . % . . . . 15276 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15276 _Sample.ID 2 _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 6aJL2 '[U-95% 15N]' . . 1 $6aJL2 . . 1.2 . . mM . . . . 15276 2 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15276 2 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15276 2 4 H2O . . . . . . . 95 . . % . . . . 15276 2 5 D2O . . . . . . . 5 . . % . . . . 15276 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15276 _Sample.ID 3 _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 6aJL2 '[U-95% 13C; U-95% 15N]' . . 1 $6aJL2 . . 1.2 . . mM . . . . 15276 3 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15276 3 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15276 3 4 H2O . . . . . . . 95 . . % . . . . 15276 3 5 D2O . . . . . . . 5 . . % . . . . 15276 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 15276 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 6aJL2 'natural abundance' . . 1 $6aJL2 . . 1.3 . . mM . . . . 15276 4 2 'sodium phosphate' 'natural abundance' . . . . . . 25 . . mM . . . . 15276 4 3 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 15276 4 4 D2O . . . . . . . 100 . . % . . . . 15276 4 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 15276 _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' 25 . mM 15276 1 pH 5.2 . pH 15276 1 pressure 1 . atm 15276 1 temperature 300 . K 15276 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15276 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15276 1 stop_ save_ save_AURELIA _Software.Sf_category software _Software.Sf_framecode AURELIA _Software.Entry_ID 15276 _Software.ID 2 _Software.Name AURELIA _Software.Version 3.1.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Neidig, Geyer, Gorler, Antz, Saffrich, Beneicke, Kalbitzer' . . 15276 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15276 2 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 15276 _Software.ID 3 _Software.Name FELIX _Software.Version 2000 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 15276 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15276 3 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 15276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15276 _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 DRX . 500 . . . 15276 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 15276 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 4 '2D 1H-15N HTQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 7 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 8 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 9 '3D HNCACB' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 10 '3D HNCACO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 11 '3D C(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 12 '3D H(CCO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 13 '3D H(C)CH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 14 '3D (H)CCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 16 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 17 '2D 1H-1H TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 1 18 '2D 1H-1H NOESY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15276 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 15276 _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 . indirect 0.251449530 . . . . . . . . . 15276 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 15276 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15276 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 15276 _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 0.01 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 5 '3D 1H-15N TOCSY' . . . 15276 1 9 '3D HNCACB' . . . 15276 1 10 '3D HNCACO' . . . 15276 1 12 '3D H(CCO)NH' . . . 15276 1 13 '3D H(C)CH-TOCSY' . . . 15276 1 15 '2D 1H-13C HSQC' . . . 15276 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ASN HA H 1 4.43 0.01 . 1 . . . . 1 ASN HA . 15276 1 2 . 1 1 1 1 ASN HB2 H 1 3.03 0.01 . 2 . . . . 1 ASN HB2 . 15276 1 3 . 1 1 1 1 ASN HB3 H 1 2.87 0.01 . 2 . . . . 1 ASN HB3 . 15276 1 4 . 1 1 1 1 ASN HD21 H 1 7.82 0.01 . 2 . . . . 1 ASN HD21 . 15276 1 5 . 1 1 1 1 ASN HD22 H 1 7.29 0.01 . 2 . . . . 1 ASN HD22 . 15276 1 6 . 1 1 1 1 ASN C C 13 171.2 0.1 . 1 . . . . 1 ASN C . 15276 1 7 . 1 1 1 1 ASN CA C 13 52.6 0.1 . 1 . . . . 1 ASN CA . 15276 1 8 . 1 1 1 1 ASN CB C 13 38.2 0.1 . 1 . . . . 1 ASN CB . 15276 1 9 . 1 1 1 1 ASN ND2 N 15 113.2 0.1 . 1 . . . . 1 ASN ND2 . 15276 1 10 . 1 1 2 2 PHE H H 1 8.64 0.01 . 1 . . . . 2 PHE H . 15276 1 11 . 1 1 2 2 PHE HA H 1 4.88 0.01 . 1 . . . . 2 PHE HA . 15276 1 12 . 1 1 2 2 PHE HB2 H 1 3.35 0.01 . 2 . . . . 2 PHE HB2 . 15276 1 13 . 1 1 2 2 PHE HB3 H 1 2.73 0.01 . 2 . . . . 2 PHE HB3 . 15276 1 14 . 1 1 2 2 PHE HD1 H 1 6.98 0.01 . 1 . . . . 2 PHE HD1 . 15276 1 15 . 1 1 2 2 PHE HD2 H 1 6.98 0.01 . 1 . . . . 2 PHE HD2 . 15276 1 16 . 1 1 2 2 PHE HE1 H 1 6.86 0.01 . 1 . . . . 2 PHE HE1 . 15276 1 17 . 1 1 2 2 PHE HE2 H 1 6.86 0.01 . 1 . . . . 2 PHE HE2 . 15276 1 18 . 1 1 2 2 PHE HZ H 1 7.02 0.01 . 1 . . . . 2 PHE HZ . 15276 1 19 . 1 1 2 2 PHE C C 13 173.4 0.1 . 1 . . . . 2 PHE C . 15276 1 20 . 1 1 2 2 PHE CA C 13 57.8 0.1 . 1 . . . . 2 PHE CA . 15276 1 21 . 1 1 2 2 PHE CB C 13 40.4 0.1 . 1 . . . . 2 PHE CB . 15276 1 22 . 1 1 2 2 PHE CD1 C 13 131.7 0.1 . 1 . . . . 2 PHE CD1 . 15276 1 23 . 1 1 2 2 PHE CD2 C 13 131.7 0.1 . 1 . . . . 2 PHE CD2 . 15276 1 24 . 1 1 2 2 PHE CE1 C 13 130.9 0.1 . 1 . . . . 2 PHE CE1 . 15276 1 25 . 1 1 2 2 PHE CE2 C 13 130.9 0.1 . 1 . . . . 2 PHE CE2 . 15276 1 26 . 1 1 2 2 PHE CZ C 13 130.1 0.1 . 9 . . . . 2 PHE CZ . 15276 1 27 . 1 1 2 2 PHE N N 15 123.1 0.1 . 1 . . . . 2 PHE N . 15276 1 28 . 1 1 3 3 MET H H 1 7.82 0.01 . 1 . . . . 3 MET H . 15276 1 29 . 1 1 3 3 MET HA H 1 4.36 0.01 . 1 . . . . 3 MET HA . 15276 1 30 . 1 1 3 3 MET HB2 H 1 1.84 0.01 . 2 . . . . 3 MET HB2 . 15276 1 31 . 1 1 3 3 MET HB3 H 1 1.74 0.01 . 2 . . . . 3 MET HB3 . 15276 1 32 . 1 1 3 3 MET HE1 H 1 2.05 0.01 . 1 . . . . 3 MET HE . 15276 1 33 . 1 1 3 3 MET HE2 H 1 2.05 0.01 . 1 . . . . 3 MET HE . 15276 1 34 . 1 1 3 3 MET HE3 H 1 2.05 0.01 . 1 . . . . 3 MET HE . 15276 1 35 . 1 1 3 3 MET HG2 H 1 2.42 0.01 . 2 . . . . 3 MET HG2 . 15276 1 36 . 1 1 3 3 MET HG3 H 1 2.37 0.01 . 2 . . . . 3 MET HG3 . 15276 1 37 . 1 1 3 3 MET C C 13 172.8 0.1 . 1 . . . . 3 MET C . 15276 1 38 . 1 1 3 3 MET CA C 13 54.1 0.1 . 1 . . . . 3 MET CA . 15276 1 39 . 1 1 3 3 MET CB C 13 36.9 0.1 . 1 . . . . 3 MET CB . 15276 1 40 . 1 1 3 3 MET CE C 13 16.8 0.1 . 1 . . . . 3 MET CE . 15276 1 41 . 1 1 3 3 MET CG C 13 31.5 0.1 . 1 . . . . 3 MET CG . 15276 1 42 . 1 1 3 3 MET N N 15 125.0 0.1 . 1 . . . . 3 MET N . 15276 1 43 . 1 1 4 4 LEU H H 1 8.06 0.01 . 1 . . . . 4 LEU H . 15276 1 44 . 1 1 4 4 LEU HA H 1 4.69 0.01 . 1 . . . . 4 LEU HA . 15276 1 45 . 1 1 4 4 LEU HB2 H 1 1.10 0.01 . 2 . . . . 4 LEU HB2 . 15276 1 46 . 1 1 4 4 LEU HB3 H 1 1.03 0.01 . 2 . . . . 4 LEU HB3 . 15276 1 47 . 1 1 4 4 LEU HD11 H 1 0.40 0.01 . 2 . . . . 4 LEU HD1 . 15276 1 48 . 1 1 4 4 LEU HD12 H 1 0.40 0.01 . 2 . . . . 4 LEU HD1 . 15276 1 49 . 1 1 4 4 LEU HD13 H 1 0.40 0.01 . 2 . . . . 4 LEU HD1 . 15276 1 50 . 1 1 4 4 LEU HD21 H 1 0.50 0.01 . 2 . . . . 4 LEU HD2 . 15276 1 51 . 1 1 4 4 LEU HD22 H 1 0.50 0.01 . 2 . . . . 4 LEU HD2 . 15276 1 52 . 1 1 4 4 LEU HD23 H 1 0.50 0.01 . 2 . . . . 4 LEU HD2 . 15276 1 53 . 1 1 4 4 LEU HG H 1 0.86 0.01 . 1 . . . . 4 LEU HG . 15276 1 54 . 1 1 4 4 LEU C C 13 176.2 0.1 . 1 . . . . 4 LEU C . 15276 1 55 . 1 1 4 4 LEU CA C 13 52.8 0.1 . 1 . . . . 4 LEU CA . 15276 1 56 . 1 1 4 4 LEU CB C 13 44.1 0.1 . 1 . . . . 4 LEU CB . 15276 1 57 . 1 1 4 4 LEU CD1 C 13 26.0 0.1 . 2 . . . . 4 LEU CD1 . 15276 1 58 . 1 1 4 4 LEU CD2 C 13 23.6 0.1 . 2 . . . . 4 LEU CD2 . 15276 1 59 . 1 1 4 4 LEU CG C 13 25.8 0.1 . 1 . . . . 4 LEU CG . 15276 1 60 . 1 1 4 4 LEU N N 15 120.2 0.1 . 1 . . . . 4 LEU N . 15276 1 61 . 1 1 5 5 THR H H 1 8.78 0.01 . 1 . . . . 5 THR H . 15276 1 62 . 1 1 5 5 THR HA H 1 4.80 0.01 . 1 . . . . 5 THR HA . 15276 1 63 . 1 1 5 5 THR HB H 1 3.93 0.01 . 1 . . . . 5 THR HB . 15276 1 64 . 1 1 5 5 THR HG21 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15276 1 65 . 1 1 5 5 THR HG22 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15276 1 66 . 1 1 5 5 THR HG23 H 1 1.16 0.01 . 1 . . . . 5 THR HG2 . 15276 1 67 . 1 1 5 5 THR C C 13 173.7 0.1 . 1 . . . . 5 THR C . 15276 1 68 . 1 1 5 5 THR CA C 13 61.5 0.1 . 1 . . . . 5 THR CA . 15276 1 69 . 1 1 5 5 THR CB C 13 70.8 0.1 . 1 . . . . 5 THR CB . 15276 1 70 . 1 1 5 5 THR CG2 C 13 21.5 0.1 . 1 . . . . 5 THR CG2 . 15276 1 71 . 1 1 5 5 THR N N 15 116.9 0.1 . 1 . . . . 5 THR N . 15276 1 72 . 1 1 6 6 GLN H H 1 9.19 0.01 . 1 . . . . 6 GLN H . 15276 1 73 . 1 1 6 6 GLN HA H 1 5.36 0.01 . 1 . . . . 6 GLN HA . 15276 1 74 . 1 1 6 6 GLN HB2 H 1 2.44 0.01 . 2 . . . . 6 GLN HB2 . 15276 1 75 . 1 1 6 6 GLN HB3 H 1 1.65 0.01 . 2 . . . . 6 GLN HB3 . 15276 1 76 . 1 1 6 6 GLN HE21 H 1 7.70 0.01 . 2 . . . . 6 GLN HE21 . 15276 1 77 . 1 1 6 6 GLN HE22 H 1 7.24 0.01 . 2 . . . . 6 GLN HE22 . 15276 1 78 . 1 1 6 6 GLN HG2 H 1 2.77 0.01 . 2 . . . . 6 GLN HG2 . 15276 1 79 . 1 1 6 6 GLN HG3 H 1 2.04 0.01 . 2 . . . . 6 GLN HG3 . 15276 1 80 . 1 1 6 6 GLN C C 13 173.9 0.1 . 1 . . . . 6 GLN C . 15276 1 81 . 1 1 6 6 GLN CA C 13 52.4 0.1 . 1 . . . . 6 GLN CA . 15276 1 82 . 1 1 6 6 GLN CB C 13 32.1 0.1 . 1 . . . . 6 GLN CB . 15276 1 83 . 1 1 6 6 GLN CG C 13 36.4 0.1 . 1 . . . . 6 GLN CG . 15276 1 84 . 1 1 6 6 GLN N N 15 125.2 0.1 . 1 . . . . 6 GLN N . 15276 1 85 . 1 1 6 6 GLN NE2 N 15 111.0 0.1 . 1 . . . . 6 GLN NE2 . 15276 1 86 . 1 1 7 7 PRO HA H 1 4.58 0.01 . 1 . . . . 7 PRO HA . 15276 1 87 . 1 1 7 7 PRO HB2 H 1 2.44 0.01 . 2 . . . . 7 PRO HB2 . 15276 1 88 . 1 1 7 7 PRO HB3 H 1 1.88 0.01 . 2 . . . . 7 PRO HB3 . 15276 1 89 . 1 1 7 7 PRO HD2 H 1 4.04 0.01 . 2 . . . . 7 PRO HD2 . 15276 1 90 . 1 1 7 7 PRO HD3 H 1 3.84 0.01 . 2 . . . . 7 PRO HD3 . 15276 1 91 . 1 1 7 7 PRO HG2 H 1 2.29 0.01 . 2 . . . . 7 PRO HG2 . 15276 1 92 . 1 1 7 7 PRO HG3 H 1 2.16 0.01 . 2 . . . . 7 PRO HG3 . 15276 1 93 . 1 1 7 7 PRO C C 13 177.1 0.1 . 1 . . . . 7 PRO C . 15276 1 94 . 1 1 7 7 PRO CA C 13 62.1 0.1 . 1 . . . . 7 PRO CA . 15276 1 95 . 1 1 7 7 PRO CB C 13 32.0 0.1 . 1 . . . . 7 PRO CB . 15276 1 96 . 1 1 7 7 PRO CD C 13 51.2 0.1 . 1 . . . . 7 PRO CD . 15276 1 97 . 1 1 7 7 PRO CG C 13 27.4 0.1 . 1 . . . . 7 PRO CG . 15276 1 98 . 1 1 8 8 HIS H H 1 9.15 0.01 . 1 . . . . 8 HIS H . 15276 1 99 . 1 1 8 8 HIS HA H 1 4.63 0.01 . 1 . . . . 8 HIS HA . 15276 1 100 . 1 1 8 8 HIS HB2 H 1 3.37 0.01 . 1 . . . . 8 HIS HB2 . 15276 1 101 . 1 1 8 8 HIS HB3 H 1 3.37 0.01 . 1 . . . . 8 HIS HB3 . 15276 1 102 . 1 1 8 8 HIS HD2 H 1 7.47 0.01 . 1 . . . . 8 HIS HD2 . 15276 1 103 . 1 1 8 8 HIS HE1 H 1 8.65 0.01 . 1 . . . . 8 HIS HE1 . 15276 1 104 . 1 1 8 8 HIS C C 13 176.4 0.1 . 1 . . . . 8 HIS C . 15276 1 105 . 1 1 8 8 HIS CA C 13 59.2 0.1 . 1 . . . . 8 HIS CA . 15276 1 106 . 1 1 8 8 HIS CB C 13 28.7 0.1 . 1 . . . . 8 HIS CB . 15276 1 107 . 1 1 8 8 HIS CD2 C 13 120.4 0.1 . 1 . . . . 8 HIS CD2 . 15276 1 108 . 1 1 8 8 HIS CE1 C 13 137.2 0.1 . 1 . . . . 8 HIS CE1 . 15276 1 109 . 1 1 8 8 HIS N N 15 120.4 0.1 . 1 . . . . 8 HIS N . 15276 1 110 . 1 1 9 9 SER H H 1 8.14 0.01 . 1 . . . . 9 SER H . 15276 1 111 . 1 1 9 9 SER HA H 1 5.36 0.01 . 1 . . . . 9 SER HA . 15276 1 112 . 1 1 9 9 SER HB2 H 1 3.89 0.01 . 2 . . . . 9 SER HB2 . 15276 1 113 . 1 1 9 9 SER HB3 H 1 3.81 0.01 . 2 . . . . 9 SER HB3 . 15276 1 114 . 1 1 9 9 SER C C 13 172.3 0.1 . 1 . . . . 9 SER C . 15276 1 115 . 1 1 9 9 SER CA C 13 57.4 0.1 . 1 . . . . 9 SER CA . 15276 1 116 . 1 1 9 9 SER CB C 13 65.6 0.1 . 1 . . . . 9 SER CB . 15276 1 117 . 1 1 9 9 SER N N 15 111.2 0.1 . 1 . . . . 9 SER N . 15276 1 118 . 1 1 10 10 VAL H H 1 8.61 0.01 . 1 . . . . 10 VAL H . 15276 1 119 . 1 1 10 10 VAL HA H 1 4.43 0.01 . 1 . . . . 10 VAL HA . 15276 1 120 . 1 1 10 10 VAL HB H 1 1.87 0.01 . 1 . . . . 10 VAL HB . 15276 1 121 . 1 1 10 10 VAL HG11 H 1 0.87 0.01 . 2 . . . . 10 VAL HG1 . 15276 1 122 . 1 1 10 10 VAL HG12 H 1 0.87 0.01 . 2 . . . . 10 VAL HG1 . 15276 1 123 . 1 1 10 10 VAL HG13 H 1 0.87 0.01 . 2 . . . . 10 VAL HG1 . 15276 1 124 . 1 1 10 10 VAL HG21 H 1 0.84 0.01 . 2 . . . . 10 VAL HG2 . 15276 1 125 . 1 1 10 10 VAL HG22 H 1 0.84 0.01 . 2 . . . . 10 VAL HG2 . 15276 1 126 . 1 1 10 10 VAL HG23 H 1 0.84 0.01 . 2 . . . . 10 VAL HG2 . 15276 1 127 . 1 1 10 10 VAL C C 13 173.4 0.1 . 1 . . . . 10 VAL C . 15276 1 128 . 1 1 10 10 VAL CA C 13 61.5 0.1 . 1 . . . . 10 VAL CA . 15276 1 129 . 1 1 10 10 VAL CB C 13 36.1 0.1 . 1 . . . . 10 VAL CB . 15276 1 130 . 1 1 10 10 VAL CG1 C 13 21.6 0.1 . 2 . . . . 10 VAL CG1 . 15276 1 131 . 1 1 10 10 VAL CG2 C 13 21.3 0.1 . 2 . . . . 10 VAL CG2 . 15276 1 132 . 1 1 10 10 VAL N N 15 120.8 0.1 . 1 . . . . 10 VAL N . 15276 1 133 . 1 1 11 11 SER H H 1 8.31 0.01 . 1 . . . . 11 SER H . 15276 1 134 . 1 1 11 11 SER HA H 1 5.77 0.01 . 1 . . . . 11 SER HA . 15276 1 135 . 1 1 11 11 SER HB2 H 1 3.67 0.01 . 2 . . . . 11 SER HB2 . 15276 1 136 . 1 1 11 11 SER HB3 H 1 3.56 0.01 . 2 . . . . 11 SER HB3 . 15276 1 137 . 1 1 11 11 SER C C 13 173.2 0.1 . 1 . . . . 11 SER C . 15276 1 138 . 1 1 11 11 SER CA C 13 56.5 0.1 . 1 . . . . 11 SER CA . 15276 1 139 . 1 1 11 11 SER CB C 13 66.0 0.1 . 1 . . . . 11 SER CB . 15276 1 140 . 1 1 11 11 SER N N 15 119.0 0.1 . 1 . . . . 11 SER N . 15276 1 141 . 1 1 12 12 GLU H H 1 8.27 0.01 . 1 . . . . 12 GLU H . 15276 1 142 . 1 1 12 12 GLU HA H 1 4.58 0.01 . 1 . . . . 12 GLU HA . 15276 1 143 . 1 1 12 12 GLU HB2 H 1 1.74 0.01 . 2 . . . . 12 GLU HB2 . 15276 1 144 . 1 1 12 12 GLU HB3 H 1 1.59 0.01 . 2 . . . . 12 GLU HB3 . 15276 1 145 . 1 1 12 12 GLU HG2 H 1 2.54 0.01 . 2 . . . . 12 GLU HG2 . 15276 1 146 . 1 1 12 12 GLU HG3 H 1 2.41 0.01 . 2 . . . . 12 GLU HG3 . 15276 1 147 . 1 1 12 12 GLU C C 13 174.2 0.1 . 1 . . . . 12 GLU C . 15276 1 148 . 1 1 12 12 GLU CA C 13 54.7 0.1 . 1 . . . . 12 GLU CA . 15276 1 149 . 1 1 12 12 GLU CB C 13 35.0 0.1 . 1 . . . . 12 GLU CB . 15276 1 150 . 1 1 12 12 GLU CG C 13 36.9 0.1 . 1 . . . . 12 GLU CG . 15276 1 151 . 1 1 12 12 GLU N N 15 123.7 0.1 . 1 . . . . 12 GLU N . 15276 1 152 . 1 1 13 13 SER H H 1 9.64 0.01 . 1 . . . . 13 SER H . 15276 1 153 . 1 1 13 13 SER HA H 1 4.85 0.01 . 1 . . . . 13 SER HA . 15276 1 154 . 1 1 13 13 SER HB2 H 1 4.02 0.01 . 2 . . . . 13 SER HB2 . 15276 1 155 . 1 1 13 13 SER HB3 H 1 3.59 0.01 . 2 . . . . 13 SER HB3 . 15276 1 156 . 1 1 13 13 SER C C 13 171.1 0.1 . 1 . . . . 13 SER C . 15276 1 157 . 1 1 13 13 SER CA C 13 57.8 0.1 . 1 . . . . 13 SER CA . 15276 1 158 . 1 1 13 13 SER CB C 13 63.0 0.1 . 1 . . . . 13 SER CB . 15276 1 159 . 1 1 13 13 SER N N 15 119.5 0.1 . 1 . . . . 13 SER N . 15276 1 160 . 1 1 14 14 PRO HA H 1 3.95 0.01 . 1 . . . . 14 PRO HA . 15276 1 161 . 1 1 14 14 PRO HB2 H 1 2.16 0.01 . 2 . . . . 14 PRO HB2 . 15276 1 162 . 1 1 14 14 PRO HB3 H 1 1.83 0.01 . 2 . . . . 14 PRO HB3 . 15276 1 163 . 1 1 14 14 PRO HD2 H 1 3.93 0.01 . 2 . . . . 14 PRO HD2 . 15276 1 164 . 1 1 14 14 PRO HD3 H 1 3.54 0.01 . 2 . . . . 14 PRO HD3 . 15276 1 165 . 1 1 14 14 PRO HG2 H 1 2.09 0.01 . 2 . . . . 14 PRO HG2 . 15276 1 166 . 1 1 14 14 PRO HG3 H 1 1.72 0.01 . 2 . . . . 14 PRO HG3 . 15276 1 167 . 1 1 14 14 PRO C C 13 177.7 0.1 . 1 . . . . 14 PRO C . 15276 1 168 . 1 1 14 14 PRO CA C 13 63.7 0.1 . 1 . . . . 14 PRO CA . 15276 1 169 . 1 1 14 14 PRO CB C 13 31.7 0.1 . 1 . . . . 14 PRO CB . 15276 1 170 . 1 1 14 14 PRO CD C 13 50.9 0.1 . 1 . . . . 14 PRO CD . 15276 1 171 . 1 1 14 14 PRO CG C 13 27.7 0.1 . 1 . . . . 14 PRO CG . 15276 1 172 . 1 1 15 15 GLY H H 1 10.10 0.01 . 1 . . . . 15 GLY H . 15276 1 173 . 1 1 15 15 GLY HA2 H 1 4.31 0.01 . 2 . . . . 15 GLY HA2 . 15276 1 174 . 1 1 15 15 GLY HA3 H 1 3.38 0.01 . 2 . . . . 15 GLY HA3 . 15276 1 175 . 1 1 15 15 GLY C C 13 174.8 0.1 . 1 . . . . 15 GLY C . 15276 1 176 . 1 1 15 15 GLY CA C 13 45.0 0.1 . 1 . . . . 15 GLY CA . 15276 1 177 . 1 1 15 15 GLY N N 15 112.0 0.1 . 1 . . . . 15 GLY N . 15276 1 178 . 1 1 16 16 LYS H H 1 7.19 0.01 . 1 . . . . 16 LYS H . 15276 1 179 . 1 1 16 16 LYS HA H 1 4.47 0.01 . 1 . . . . 16 LYS HA . 15276 1 180 . 1 1 16 16 LYS HB2 H 1 1.92 0.01 . 2 . . . . 16 LYS HB2 . 15276 1 181 . 1 1 16 16 LYS HB3 H 1 1.92 0.01 . 2 . . . . 16 LYS HB3 . 15276 1 182 . 1 1 16 16 LYS HD2 H 1 1.62 0.01 . 2 . . . . 16 LYS HD2 . 15276 1 183 . 1 1 16 16 LYS HD3 H 1 1.62 0.01 . 2 . . . . 16 LYS HD3 . 15276 1 184 . 1 1 16 16 LYS HE2 H 1 2.96 0.01 . 2 . . . . 16 LYS HE2 . 15276 1 185 . 1 1 16 16 LYS HE3 H 1 2.96 0.01 . 2 . . . . 16 LYS HE3 . 15276 1 186 . 1 1 16 16 LYS HG2 H 1 1.51 0.01 . 2 . . . . 16 LYS HG2 . 15276 1 187 . 1 1 16 16 LYS HG3 H 1 1.18 0.01 . 2 . . . . 16 LYS HG3 . 15276 1 188 . 1 1 16 16 LYS C C 13 174.3 0.1 . 1 . . . . 16 LYS C . 15276 1 189 . 1 1 16 16 LYS CA C 13 55.1 0.1 . 1 . . . . 16 LYS CA . 15276 1 190 . 1 1 16 16 LYS CB C 13 32.4 0.1 . 1 . . . . 16 LYS CB . 15276 1 191 . 1 1 16 16 LYS CD C 13 27.9 0.1 . 1 . . . . 16 LYS CD . 15276 1 192 . 1 1 16 16 LYS CE C 13 42.2 0.1 . 1 . . . . 16 LYS CE . 15276 1 193 . 1 1 16 16 LYS CG C 13 25.3 0.1 . 1 . . . . 16 LYS CG . 15276 1 194 . 1 1 16 16 LYS N N 15 121.1 0.1 . 1 . . . . 16 LYS N . 15276 1 195 . 1 1 17 17 THR H H 1 8.05 0.01 . 1 . . . . 17 THR H . 15276 1 196 . 1 1 17 17 THR HA H 1 5.36 0.01 . 1 . . . . 17 THR HA . 15276 1 197 . 1 1 17 17 THR HB H 1 3.84 0.01 . 1 . . . . 17 THR HB . 15276 1 198 . 1 1 17 17 THR HG21 H 1 0.91 0.01 . 1 . . . . 17 THR HG2 . 15276 1 199 . 1 1 17 17 THR HG22 H 1 0.91 0.01 . 1 . . . . 17 THR HG2 . 15276 1 200 . 1 1 17 17 THR HG23 H 1 0.91 0.01 . 1 . . . . 17 THR HG2 . 15276 1 201 . 1 1 17 17 THR C C 13 173.8 0.1 . 1 . . . . 17 THR C . 15276 1 202 . 1 1 17 17 THR CA C 13 61.5 0.1 . 1 . . . . 17 THR CA . 15276 1 203 . 1 1 17 17 THR CB C 13 70.6 0.1 . 1 . . . . 17 THR CB . 15276 1 204 . 1 1 17 17 THR CG2 C 13 21.5 0.1 . 1 . . . . 17 THR CG2 . 15276 1 205 . 1 1 17 17 THR N N 15 115.5 0.1 . 1 . . . . 17 THR N . 15276 1 206 . 1 1 18 18 VAL H H 1 8.62 0.01 . 1 . . . . 18 VAL H . 15276 1 207 . 1 1 18 18 VAL HA H 1 4.56 0.01 . 1 . . . . 18 VAL HA . 15276 1 208 . 1 1 18 18 VAL HB H 1 1.67 0.01 . 1 . . . . 18 VAL HB . 15276 1 209 . 1 1 18 18 VAL HG11 H 1 0.71 0.01 . 2 . . . . 18 VAL HG1 . 15276 1 210 . 1 1 18 18 VAL HG12 H 1 0.71 0.01 . 2 . . . . 18 VAL HG1 . 15276 1 211 . 1 1 18 18 VAL HG13 H 1 0.71 0.01 . 2 . . . . 18 VAL HG1 . 15276 1 212 . 1 1 18 18 VAL HG21 H 1 0.77 0.01 . 2 . . . . 18 VAL HG2 . 15276 1 213 . 1 1 18 18 VAL HG22 H 1 0.77 0.01 . 2 . . . . 18 VAL HG2 . 15276 1 214 . 1 1 18 18 VAL HG23 H 1 0.77 0.01 . 2 . . . . 18 VAL HG2 . 15276 1 215 . 1 1 18 18 VAL C C 13 172.2 0.1 . 1 . . . . 18 VAL C . 15276 1 216 . 1 1 18 18 VAL CA C 13 59.2 0.1 . 1 . . . . 18 VAL CA . 15276 1 217 . 1 1 18 18 VAL CB C 13 35.9 0.1 . 1 . . . . 18 VAL CB . 15276 1 218 . 1 1 18 18 VAL CG1 C 13 21.5 0.1 . 2 . . . . 18 VAL CG1 . 15276 1 219 . 1 1 18 18 VAL CG2 C 13 21.3 0.1 . 2 . . . . 18 VAL CG2 . 15276 1 220 . 1 1 18 18 VAL N N 15 124.5 0.1 . 1 . . . . 18 VAL N . 15276 1 221 . 1 1 19 19 THR H H 1 8.13 0.01 . 1 . . . . 19 THR H . 15276 1 222 . 1 1 19 19 THR HA H 1 5.09 0.01 . 1 . . . . 19 THR HA . 15276 1 223 . 1 1 19 19 THR HB H 1 3.65 0.01 . 1 . . . . 19 THR HB . 15276 1 224 . 1 1 19 19 THR HG21 H 1 0.92 0.01 . 1 . . . . 19 THR HG2 . 15276 1 225 . 1 1 19 19 THR HG22 H 1 0.92 0.01 . 1 . . . . 19 THR HG2 . 15276 1 226 . 1 1 19 19 THR HG23 H 1 0.92 0.01 . 1 . . . . 19 THR HG2 . 15276 1 227 . 1 1 19 19 THR C C 13 173.4 0.1 . 1 . . . . 19 THR C . 15276 1 228 . 1 1 19 19 THR CA C 13 61.4 0.1 . 1 . . . . 19 THR CA . 15276 1 229 . 1 1 19 19 THR CB C 13 71.3 0.1 . 1 . . . . 19 THR CB . 15276 1 230 . 1 1 19 19 THR CG2 C 13 21.6 0.1 . 1 . . . . 19 THR CG2 . 15276 1 231 . 1 1 19 19 THR N N 15 120.4 0.1 . 1 . . . . 19 THR N . 15276 1 232 . 1 1 20 20 ILE H H 1 9.28 0.01 . 1 . . . . 21 ILE H . 15276 1 233 . 1 1 20 20 ILE HA H 1 4.05 0.01 . 1 . . . . 21 ILE HA . 15276 1 234 . 1 1 20 20 ILE HB H 1 1.43 0.01 . 1 . . . . 21 ILE HB . 15276 1 235 . 1 1 20 20 ILE HD11 H 1 0.40 0.01 . 1 . . . . 21 ILE HD1 . 15276 1 236 . 1 1 20 20 ILE HD12 H 1 0.40 0.01 . 1 . . . . 21 ILE HD1 . 15276 1 237 . 1 1 20 20 ILE HD13 H 1 0.40 0.01 . 1 . . . . 21 ILE HD1 . 15276 1 238 . 1 1 20 20 ILE HG12 H 1 1.31 0.01 . 2 . . . . 21 ILE HG12 . 15276 1 239 . 1 1 20 20 ILE HG13 H 1 0.73 0.01 . 2 . . . . 21 ILE HG13 . 15276 1 240 . 1 1 20 20 ILE HG21 H 1 1.10 0.01 . 1 . . . . 21 ILE HG2 . 15276 1 241 . 1 1 20 20 ILE HG22 H 1 1.10 0.01 . 1 . . . . 21 ILE HG2 . 15276 1 242 . 1 1 20 20 ILE HG23 H 1 1.10 0.01 . 1 . . . . 21 ILE HG2 . 15276 1 243 . 1 1 20 20 ILE C C 13 174.1 0.1 . 1 . . . . 21 ILE C . 15276 1 244 . 1 1 20 20 ILE CA C 13 61.1 0.1 . 1 . . . . 21 ILE CA . 15276 1 245 . 1 1 20 20 ILE CB C 13 40.5 0.1 . 1 . . . . 21 ILE CB . 15276 1 246 . 1 1 20 20 ILE CD1 C 13 13.4 0.1 . 1 . . . . 21 ILE CD1 . 15276 1 247 . 1 1 20 20 ILE CG1 C 13 27.8 0.1 . 1 . . . . 21 ILE CG1 . 15276 1 248 . 1 1 20 20 ILE CG2 C 13 18.1 0.1 . 1 . . . . 21 ILE CG2 . 15276 1 249 . 1 1 20 20 ILE N N 15 127.8 0.1 . 1 . . . . 21 ILE N . 15276 1 250 . 1 1 21 21 SER H H 1 7.83 0.01 . 1 . . . . 22 SER H . 15276 1 251 . 1 1 21 21 SER HA H 1 5.36 0.01 . 1 . . . . 22 SER HA . 15276 1 252 . 1 1 21 21 SER HB2 H 1 3.81 0.01 . 1 . . . . 22 SER HB2 . 15276 1 253 . 1 1 21 21 SER HB3 H 1 3.81 0.01 . 1 . . . . 22 SER HB3 . 15276 1 254 . 1 1 21 21 SER C C 13 173.4 0.1 . 1 . . . . 22 SER C . 15276 1 255 . 1 1 21 21 SER CA C 13 57.9 0.1 . 1 . . . . 22 SER CA . 15276 1 256 . 1 1 21 21 SER CB C 13 65.8 0.1 . 1 . . . . 22 SER CB . 15276 1 257 . 1 1 21 21 SER N N 15 120.3 0.1 . 1 . . . . 22 SER N . 15276 1 258 . 1 1 22 22 CYS H H 1 8.95 0.01 . 1 . . . . 23 CYS H . 15276 1 259 . 1 1 22 22 CYS HA H 1 5.10 0.01 . 1 . . . . 23 CYS HA . 15276 1 260 . 1 1 22 22 CYS HB2 H 1 3.34 0.01 . 2 . . . . 23 CYS HB2 . 15276 1 261 . 1 1 22 22 CYS HB3 H 1 2.91 0.01 . 2 . . . . 23 CYS HB3 . 15276 1 262 . 1 1 22 22 CYS C C 13 173.9 0.1 . 1 . . . . 23 CYS C . 15276 1 263 . 1 1 22 22 CYS CA C 13 55.3 0.1 . 1 . . . . 23 CYS CA . 15276 1 264 . 1 1 22 22 CYS CB C 13 46.6 0.1 . 1 . . . . 23 CYS CB . 15276 1 265 . 1 1 22 22 CYS N N 15 121.6 0.1 . 1 . . . . 23 CYS N . 15276 1 266 . 1 1 23 23 THR H H 1 9.36 0.01 . 1 . . . . 24 THR H . 15276 1 267 . 1 1 23 23 THR HA H 1 4.66 0.01 . 1 . . . . 24 THR HA . 15276 1 268 . 1 1 23 23 THR HB H 1 3.93 0.01 . 1 . . . . 24 THR HB . 15276 1 269 . 1 1 23 23 THR HG21 H 1 1.37 0.01 . 1 . . . . 24 THR HG2 . 15276 1 270 . 1 1 23 23 THR HG22 H 1 1.37 0.01 . 1 . . . . 24 THR HG2 . 15276 1 271 . 1 1 23 23 THR HG23 H 1 1.37 0.01 . 1 . . . . 24 THR HG2 . 15276 1 272 . 1 1 23 23 THR C C 13 175.5 0.1 . 1 . . . . 24 THR C . 15276 1 273 . 1 1 23 23 THR CA C 13 62.8 0.1 . 1 . . . . 24 THR CA . 15276 1 274 . 1 1 23 23 THR CB C 13 70.6 0.1 . 1 . . . . 24 THR CB . 15276 1 275 . 1 1 23 23 THR CG2 C 13 21.6 0.1 . 1 . . . . 24 THR CG2 . 15276 1 276 . 1 1 23 23 THR N N 15 121.8 0.1 . 1 . . . . 24 THR N . 15276 1 277 . 1 1 24 24 GLY H H 1 9.30 0.01 . 1 . . . . 25 GLY H . 15276 1 278 . 1 1 24 24 GLY HA2 H 1 4.95 0.01 . 2 . . . . 25 GLY HA2 . 15276 1 279 . 1 1 24 24 GLY HA3 H 1 3.42 0.01 . 2 . . . . 25 GLY HA3 . 15276 1 280 . 1 1 24 24 GLY C C 13 173.0 0.1 . 1 . . . . 25 GLY C . 15276 1 281 . 1 1 24 24 GLY CA C 13 45.2 0.1 . 1 . . . . 25 GLY CA . 15276 1 282 . 1 1 24 24 GLY N N 15 115.3 0.1 . 1 . . . . 25 GLY N . 15276 1 283 . 1 1 25 25 SER H H 1 8.48 0.01 . 1 . . . . 26 SER H . 15276 1 284 . 1 1 25 25 SER HA H 1 4.69 0.01 . 1 . . . . 26 SER HA . 15276 1 285 . 1 1 25 25 SER HB2 H 1 3.86 0.01 . 1 . . . . 26 SER HB2 . 15276 1 286 . 1 1 25 25 SER HB3 H 1 3.86 0.01 . 1 . . . . 26 SER HB3 . 15276 1 287 . 1 1 25 25 SER C C 13 173.1 0.1 . 1 . . . . 26 SER C . 15276 1 288 . 1 1 25 25 SER CA C 13 58.1 0.1 . 1 . . . . 26 SER CA . 15276 1 289 . 1 1 25 25 SER CB C 13 64.7 0.1 . 1 . . . . 26 SER CB . 15276 1 290 . 1 1 25 25 SER N N 15 117.0 0.1 . 1 . . . . 26 SER N . 15276 1 291 . 1 1 26 26 SER H H 1 8.87 0.01 . 1 . . . . 27 SER H . 15276 1 292 . 1 1 26 26 SER HA H 1 4.12 0.01 . 1 . . . . 27 SER HA . 15276 1 293 . 1 1 26 26 SER HB2 H 1 4.13 0.01 . 1 . . . . 27 SER HB2 . 15276 1 294 . 1 1 26 26 SER HB3 H 1 4.13 0.01 . 1 . . . . 27 SER HB3 . 15276 1 295 . 1 1 26 26 SER C C 13 173.9 0.1 . 1 . . . . 27 SER C . 15276 1 296 . 1 1 26 26 SER CA C 13 59.0 0.1 . 1 . . . . 27 SER CA . 15276 1 297 . 1 1 26 26 SER CB C 13 61.9 0.1 . 1 . . . . 27 SER CB . 15276 1 298 . 1 1 26 26 SER N N 15 114.6 0.1 . 1 . . . . 27 SER N . 15276 1 299 . 1 1 27 27 GLY H H 1 7.84 0.01 . 1 . . . . 28 GLY H . 15276 1 300 . 1 1 27 27 GLY HA2 H 1 4.03 0.01 . 2 . . . . 28 GLY HA2 . 15276 1 301 . 1 1 27 27 GLY HA3 H 1 3.80 0.01 . 2 . . . . 28 GLY HA3 . 15276 1 302 . 1 1 27 27 GLY C C 13 172.1 0.1 . 1 . . . . 28 GLY C . 15276 1 303 . 1 1 27 27 GLY CA C 13 44.9 0.1 . 1 . . . . 28 GLY CA . 15276 1 304 . 1 1 27 27 GLY N N 15 105.8 0.1 . 1 . . . . 28 GLY N . 15276 1 305 . 1 1 28 28 SER H H 1 8.48 0.01 . 1 . . . . 29 SER H . 15276 1 306 . 1 1 28 28 SER HA H 1 4.99 0.01 . 1 . . . . 29 SER HA . 15276 1 307 . 1 1 28 28 SER HB2 H 1 3.75 0.01 . 1 . . . . 29 SER HB2 . 15276 1 308 . 1 1 28 28 SER HB3 H 1 3.75 0.01 . 1 . . . . 29 SER HB3 . 15276 1 309 . 1 1 28 28 SER C C 13 176.5 0.1 . 1 . . . . 29 SER C . 15276 1 310 . 1 1 28 28 SER CA C 13 56.4 0.1 . 1 . . . . 29 SER CA . 15276 1 311 . 1 1 28 28 SER CB C 13 63.8 0.1 . 1 . . . . 29 SER CB . 15276 1 312 . 1 1 28 28 SER N N 15 115.3 0.1 . 1 . . . . 29 SER N . 15276 1 313 . 1 1 29 29 ILE H H 1 9.57 0.01 . 1 . . . . 30 ILE H . 15276 1 314 . 1 1 29 29 ILE HA H 1 4.21 0.01 . 1 . . . . 30 ILE HA . 15276 1 315 . 1 1 29 29 ILE HB H 1 1.47 0.01 . 1 . . . . 30 ILE HB . 15276 1 316 . 1 1 29 29 ILE HD11 H 1 0.83 0.01 . 1 . . . . 30 ILE HD1 . 15276 1 317 . 1 1 29 29 ILE HD12 H 1 0.83 0.01 . 1 . . . . 30 ILE HD1 . 15276 1 318 . 1 1 29 29 ILE HD13 H 1 0.83 0.01 . 1 . . . . 30 ILE HD1 . 15276 1 319 . 1 1 29 29 ILE HG12 H 1 1.55 0.01 . 2 . . . . 30 ILE HG12 . 15276 1 320 . 1 1 29 29 ILE HG13 H 1 1.20 0.01 . 2 . . . . 30 ILE HG13 . 15276 1 321 . 1 1 29 29 ILE HG21 H 1 0.83 0.01 . 1 . . . . 30 ILE HG2 . 15276 1 322 . 1 1 29 29 ILE HG22 H 1 0.83 0.01 . 1 . . . . 30 ILE HG2 . 15276 1 323 . 1 1 29 29 ILE HG23 H 1 0.83 0.01 . 1 . . . . 30 ILE HG2 . 15276 1 324 . 1 1 29 29 ILE C C 13 174.6 0.1 . 1 . . . . 30 ILE C . 15276 1 325 . 1 1 29 29 ILE CA C 13 61.0 0.1 . 1 . . . . 30 ILE CA . 15276 1 326 . 1 1 29 29 ILE CB C 13 40.0 0.1 . 1 . . . . 30 ILE CB . 15276 1 327 . 1 1 29 29 ILE CD1 C 13 14.9 0.1 . 1 . . . . 30 ILE CD1 . 15276 1 328 . 1 1 29 29 ILE CG1 C 13 28.8 0.1 . 1 . . . . 30 ILE CG1 . 15276 1 329 . 1 1 29 29 ILE CG2 C 13 17.9 0.1 . 1 . . . . 30 ILE CG2 . 15276 1 330 . 1 1 29 29 ILE N N 15 131.0 0.1 . 1 . . . . 30 ILE N . 15276 1 331 . 1 1 30 30 ALA H H 1 7.76 0.01 . 1 . . . . 31 ALA H . 15276 1 332 . 1 1 30 30 ALA HA H 1 4.41 0.01 . 1 . . . . 31 ALA HA . 15276 1 333 . 1 1 30 30 ALA HB1 H 1 1.26 0.01 . 1 . . . . 31 ALA HB . 15276 1 334 . 1 1 30 30 ALA HB2 H 1 1.26 0.01 . 1 . . . . 31 ALA HB . 15276 1 335 . 1 1 30 30 ALA HB3 H 1 1.26 0.01 . 1 . . . . 31 ALA HB . 15276 1 336 . 1 1 30 30 ALA C C 13 178.2 0.1 . 1 . . . . 31 ALA C . 15276 1 337 . 1 1 30 30 ALA CA C 13 51.9 0.1 . 1 . . . . 31 ALA CA . 15276 1 338 . 1 1 30 30 ALA CB C 13 18.8 0.1 . 1 . . . . 31 ALA CB . 15276 1 339 . 1 1 30 30 ALA N N 15 120.0 0.1 . 1 . . . . 31 ALA N . 15276 1 340 . 1 1 31 31 SER H H 1 7.54 0.01 . 1 . . . . 32 SER H . 15276 1 341 . 1 1 31 31 SER HA H 1 4.04 0.01 . 1 . . . . 32 SER HA . 15276 1 342 . 1 1 31 31 SER HB2 H 1 3.77 0.01 . 1 . . . . 32 SER HB2 . 15276 1 343 . 1 1 31 31 SER HB3 H 1 3.77 0.01 . 1 . . . . 32 SER HB3 . 15276 1 344 . 1 1 31 31 SER C C 13 173.0 0.1 . 1 . . . . 32 SER C . 15276 1 345 . 1 1 31 31 SER CA C 13 60.9 0.1 . 1 . . . . 32 SER CA . 15276 1 346 . 1 1 31 31 SER CB C 13 63.6 0.1 . 1 . . . . 32 SER CB . 15276 1 347 . 1 1 31 31 SER N N 15 113.5 0.1 . 1 . . . . 32 SER N . 15276 1 348 . 1 1 32 32 ASN H H 1 7.49 0.01 . 1 . . . . 33 ASN H . 15276 1 349 . 1 1 32 32 ASN HA H 1 4.66 0.01 . 1 . . . . 33 ASN HA . 15276 1 350 . 1 1 32 32 ASN HB2 H 1 2.63 0.01 . 2 . . . . 33 ASN HB2 . 15276 1 351 . 1 1 32 32 ASN HB3 H 1 2.57 0.01 . 2 . . . . 33 ASN HB3 . 15276 1 352 . 1 1 32 32 ASN HD21 H 1 7.52 0.01 . 2 . . . . 33 ASN HD21 . 15276 1 353 . 1 1 32 32 ASN HD22 H 1 6.75 0.01 . 2 . . . . 33 ASN HD22 . 15276 1 354 . 1 1 32 32 ASN C C 13 173.4 0.1 . 1 . . . . 33 ASN C . 15276 1 355 . 1 1 32 32 ASN CA C 13 52.2 0.1 . 1 . . . . 33 ASN CA . 15276 1 356 . 1 1 32 32 ASN CB C 13 44.2 0.1 . 1 . . . . 33 ASN CB . 15276 1 357 . 1 1 32 32 ASN N N 15 117.4 0.1 . 1 . . . . 33 ASN N . 15276 1 358 . 1 1 32 32 ASN ND2 N 15 116.5 0.1 . 1 . . . . 33 ASN ND2 . 15276 1 359 . 1 1 33 33 TYR H H 1 8.45 0.01 . 1 . . . . 34 TYR H . 15276 1 360 . 1 1 33 33 TYR HA H 1 4.94 0.01 . 1 . . . . 34 TYR HA . 15276 1 361 . 1 1 33 33 TYR HB2 H 1 3.34 0.01 . 2 . . . . 34 TYR HB2 . 15276 1 362 . 1 1 33 33 TYR HB3 H 1 2.73 0.01 . 2 . . . . 34 TYR HB3 . 15276 1 363 . 1 1 33 33 TYR HD1 H 1 7.20 0.01 . 9 . . . . 34 TYR HD1 . 15276 1 364 . 1 1 33 33 TYR HD2 H 1 7.20 0.01 . 9 . . . . 34 TYR HD2 . 15276 1 365 . 1 1 33 33 TYR HE1 H 1 6.90 0.01 . 9 . . . . 34 TYR HE1 . 15276 1 366 . 1 1 33 33 TYR HE2 H 1 6.90 0.01 . 9 . . . . 34 TYR HE2 . 15276 1 367 . 1 1 33 33 TYR C C 13 178.4 0.1 . 1 . . . . 34 TYR C . 15276 1 368 . 1 1 33 33 TYR CA C 13 58.0 0.1 . 1 . . . . 34 TYR CA . 15276 1 369 . 1 1 33 33 TYR CB C 13 40.7 0.1 . 1 . . . . 34 TYR CB . 15276 1 370 . 1 1 33 33 TYR CD1 C 13 132.6 0.1 . 9 . . . . 34 TYR CD1 . 15276 1 371 . 1 1 33 33 TYR CD2 C 13 132.6 0.1 . 9 . . . . 34 TYR CD2 . 15276 1 372 . 1 1 33 33 TYR CE1 C 13 118.8 0.1 . 9 . . . . 34 TYR CE1 . 15276 1 373 . 1 1 33 33 TYR CE2 C 13 118.8 0.1 . 9 . . . . 34 TYR CE2 . 15276 1 374 . 1 1 33 33 TYR N N 15 117.0 0.1 . 1 . . . . 34 TYR N . 15276 1 375 . 1 1 34 34 VAL H H 1 9.22 0.01 . 1 . . . . 35 VAL H . 15276 1 376 . 1 1 34 34 VAL HA H 1 4.56 0.01 . 1 . . . . 35 VAL HA . 15276 1 377 . 1 1 34 34 VAL HB H 1 1.98 0.01 . 1 . . . . 35 VAL HB . 15276 1 378 . 1 1 34 34 VAL HG11 H 1 0.43 0.01 . 2 . . . . 35 VAL HG1 . 15276 1 379 . 1 1 34 34 VAL HG12 H 1 0.43 0.01 . 2 . . . . 35 VAL HG1 . 15276 1 380 . 1 1 34 34 VAL HG13 H 1 0.43 0.01 . 2 . . . . 35 VAL HG1 . 15276 1 381 . 1 1 34 34 VAL HG21 H 1 0.88 0.01 . 2 . . . . 35 VAL HG2 . 15276 1 382 . 1 1 34 34 VAL HG22 H 1 0.88 0.01 . 2 . . . . 35 VAL HG2 . 15276 1 383 . 1 1 34 34 VAL HG23 H 1 0.88 0.01 . 2 . . . . 35 VAL HG2 . 15276 1 384 . 1 1 34 34 VAL C C 13 174.0 0.1 . 1 . . . . 35 VAL C . 15276 1 385 . 1 1 34 34 VAL CA C 13 61.9 0.1 . 1 . . . . 35 VAL CA . 15276 1 386 . 1 1 34 34 VAL CB C 13 33.4 0.1 . 1 . . . . 35 VAL CB . 15276 1 387 . 1 1 34 34 VAL CG1 C 13 21.6 0.1 . 2 . . . . 35 VAL CG1 . 15276 1 388 . 1 1 34 34 VAL CG2 C 13 21.3 0.1 . 2 . . . . 35 VAL CG2 . 15276 1 389 . 1 1 34 34 VAL N N 15 126.4 0.1 . 1 . . . . 35 VAL N . 15276 1 390 . 1 1 35 35 GLN H H 1 8.72 0.01 . 1 . . . . 36 GLN H . 15276 1 391 . 1 1 35 35 GLN HA H 1 4.88 0.01 . 1 . . . . 36 GLN HA . 15276 1 392 . 1 1 35 35 GLN HB2 H 1 1.83 0.01 . 1 . . . . 36 GLN HB2 . 15276 1 393 . 1 1 35 35 GLN HB3 H 1 1.83 0.01 . 1 . . . . 36 GLN HB3 . 15276 1 394 . 1 1 35 35 GLN HG2 H 1 2.48 0.01 . 1 . . . . 36 GLN HG2 . 15276 1 395 . 1 1 35 35 GLN HG3 H 1 2.48 0.01 . 1 . . . . 36 GLN HG3 . 15276 1 396 . 1 1 35 35 GLN C C 13 174.3 0.1 . 1 . . . . 36 GLN C . 15276 1 397 . 1 1 35 35 GLN CA C 13 53.7 0.1 . 1 . . . . 36 GLN CA . 15276 1 398 . 1 1 35 35 GLN CB C 13 33.5 0.1 . 1 . . . . 36 GLN CB . 15276 1 399 . 1 1 35 35 GLN CG C 13 36.5 0.1 . 1 . . . . 36 GLN CG . 15276 1 400 . 1 1 35 35 GLN N N 15 125.8 0.1 . 1 . . . . 36 GLN N . 15276 1 401 . 1 1 36 36 TRP H H 1 9.08 0.01 . 1 . . . . 37 TRP H . 15276 1 402 . 1 1 36 36 TRP HA H 1 5.51 0.01 . 1 . . . . 37 TRP HA . 15276 1 403 . 1 1 36 36 TRP HB2 H 1 2.97 0.01 . 2 . . . . 37 TRP HB2 . 15276 1 404 . 1 1 36 36 TRP HB3 H 1 2.81 0.01 . 2 . . . . 37 TRP HB3 . 15276 1 405 . 1 1 36 36 TRP HD1 H 1 6.65 0.01 . 1 . . . . 37 TRP HD1 . 15276 1 406 . 1 1 36 36 TRP HE1 H 1 10.26 0.01 . 1 . . . . 37 TRP HE1 . 15276 1 407 . 1 1 36 36 TRP HE3 H 1 7.27 0.01 . 1 . . . . 37 TRP HE3 . 15276 1 408 . 1 1 36 36 TRP HH2 H 1 6.86 0.01 . 1 . . . . 37 TRP HH2 . 15276 1 409 . 1 1 36 36 TRP HZ2 H 1 7.06 0.01 . 1 . . . . 37 TRP HZ2 . 15276 1 410 . 1 1 36 36 TRP HZ3 H 1 6.76 0.01 . 1 . . . . 37 TRP HZ3 . 15276 1 411 . 1 1 36 36 TRP C C 13 175.7 0.1 . 1 . . . . 37 TRP C . 15276 1 412 . 1 1 36 36 TRP CA C 13 55.7 0.1 . 1 . . . . 37 TRP CA . 15276 1 413 . 1 1 36 36 TRP CB C 13 33.3 0.1 . 1 . . . . 37 TRP CB . 15276 1 414 . 1 1 36 36 TRP CD1 C 13 125.3 0.1 . 1 . . . . 37 TRP CD1 . 15276 1 415 . 1 1 36 36 TRP CE3 C 13 119.8 0.1 . 9 . . . . 37 TRP CE3 . 15276 1 416 . 1 1 36 36 TRP CH2 C 13 125.9 0.1 . 1 . . . . 37 TRP CH2 . 15276 1 417 . 1 1 36 36 TRP CZ2 C 13 114.3 0.1 . 1 . . . . 37 TRP CZ2 . 15276 1 418 . 1 1 36 36 TRP CZ3 C 13 118.5 0.1 . 9 . . . . 37 TRP CZ3 . 15276 1 419 . 1 1 36 36 TRP N N 15 117.8 0.1 . 1 . . . . 37 TRP N . 15276 1 420 . 1 1 36 36 TRP NE1 N 15 131.0 0.1 . 1 . . . . 37 TRP NE1 . 15276 1 421 . 1 1 37 37 TYR H H 1 9.60 0.01 . 1 . . . . 38 TYR H . 15276 1 422 . 1 1 37 37 TYR HA H 1 5.52 0.01 . 1 . . . . 38 TYR HA . 15276 1 423 . 1 1 37 37 TYR HB2 H 1 2.79 0.01 . 2 . . . . 38 TYR HB2 . 15276 1 424 . 1 1 37 37 TYR HB3 H 1 2.57 0.01 . 2 . . . . 38 TYR HB3 . 15276 1 425 . 1 1 37 37 TYR HD1 H 1 6.76 0.01 . 1 . . . . 38 TYR HD1 . 15276 1 426 . 1 1 37 37 TYR HD2 H 1 6.76 0.01 . 1 . . . . 38 TYR HD2 . 15276 1 427 . 1 1 37 37 TYR HE1 H 1 6.82 0.01 . 1 . . . . 38 TYR HE1 . 15276 1 428 . 1 1 37 37 TYR HE2 H 1 6.82 0.01 . 1 . . . . 38 TYR HE2 . 15276 1 429 . 1 1 37 37 TYR C C 13 174.6 0.1 . 1 . . . . 38 TYR C . 15276 1 430 . 1 1 37 37 TYR CA C 13 56.2 0.1 . 1 . . . . 38 TYR CA . 15276 1 431 . 1 1 37 37 TYR CB C 13 42.5 0.1 . 1 . . . . 38 TYR CB . 15276 1 432 . 1 1 37 37 TYR CD1 C 13 132.8 0.1 . 1 . . . . 38 TYR CD1 . 15276 1 433 . 1 1 37 37 TYR CD2 C 13 132.8 0.1 . 1 . . . . 38 TYR CD2 . 15276 1 434 . 1 1 37 37 TYR CE1 C 13 118.5 0.1 . 1 . . . . 38 TYR CE1 . 15276 1 435 . 1 1 37 37 TYR CE2 C 13 118.5 0.1 . 1 . . . . 38 TYR CE2 . 15276 1 436 . 1 1 37 37 TYR N N 15 119.9 0.1 . 1 . . . . 38 TYR N . 15276 1 437 . 1 1 38 38 GLN H H 1 9.43 0.01 . 1 . . . . 39 GLN H . 15276 1 438 . 1 1 38 38 GLN HA H 1 4.34 0.01 . 1 . . . . 39 GLN HA . 15276 1 439 . 1 1 38 38 GLN HB2 H 1 1.47 0.01 . 1 . . . . 39 GLN HB2 . 15276 1 440 . 1 1 38 38 GLN HB3 H 1 1.47 0.01 . 1 . . . . 39 GLN HB3 . 15276 1 441 . 1 1 38 38 GLN HE21 H 1 7.88 0.01 . 2 . . . . 39 GLN HE21 . 15276 1 442 . 1 1 38 38 GLN HE22 H 1 7.64 0.01 . 2 . . . . 39 GLN HE22 . 15276 1 443 . 1 1 38 38 GLN HG2 H 1 1.61 0.01 . 1 . . . . 39 GLN HG2 . 15276 1 444 . 1 1 38 38 GLN HG3 H 1 1.61 0.01 . 1 . . . . 39 GLN HG3 . 15276 1 445 . 1 1 38 38 GLN C C 13 174.0 0.1 . 1 . . . . 39 GLN C . 15276 1 446 . 1 1 38 38 GLN CA C 13 54.0 0.1 . 1 . . . . 39 GLN CA . 15276 1 447 . 1 1 38 38 GLN CB C 13 34.6 0.1 . 1 . . . . 39 GLN CB . 15276 1 448 . 1 1 38 38 GLN CG C 13 35.6 0.1 . 1 . . . . 39 GLN CG . 15276 1 449 . 1 1 38 38 GLN N N 15 122.8 0.1 . 1 . . . . 39 GLN N . 15276 1 450 . 1 1 38 38 GLN NE2 N 15 112.8 0.1 . 1 . . . . 39 GLN NE2 . 15276 1 451 . 1 1 39 39 GLN H H 1 9.50 0.01 . 1 . . . . 40 GLN H . 15276 1 452 . 1 1 39 39 GLN HA H 1 4.83 0.01 . 1 . . . . 40 GLN HA . 15276 1 453 . 1 1 39 39 GLN HB2 H 1 1.89 0.01 . 9 . . . . 40 GLN HB2 . 15276 1 454 . 1 1 39 39 GLN HB3 H 1 1.89 0.01 . 9 . . . . 40 GLN HB3 . 15276 1 455 . 1 1 39 39 GLN HE21 H 1 7.55 0.01 . 9 . . . . 40 GLN HE21 . 15276 1 456 . 1 1 39 39 GLN HE22 H 1 6.89 0.01 . 9 . . . . 40 GLN HE22 . 15276 1 457 . 1 1 39 39 GLN HG2 H 1 2.25 0.01 . 9 . . . . 40 GLN HG2 . 15276 1 458 . 1 1 39 39 GLN HG3 H 1 2.25 0.01 . 9 . . . . 40 GLN HG3 . 15276 1 459 . 1 1 39 39 GLN C C 13 175.1 0.1 . 1 . . . . 40 GLN C . 15276 1 460 . 1 1 39 39 GLN CA C 13 54.8 0.1 . 1 . . . . 40 GLN CA . 15276 1 461 . 1 1 39 39 GLN CB C 13 31.6 0.1 . 1 . . . . 40 GLN CB . 15276 1 462 . 1 1 39 39 GLN CG C 13 33.6 0.1 . 1 . . . . 40 GLN CG . 15276 1 463 . 1 1 39 39 GLN N N 15 128.3 0.1 . 1 . . . . 40 GLN N . 15276 1 464 . 1 1 39 39 GLN NE2 N 15 112.6 0.1 . 9 . . . . 40 GLN NE2 . 15276 1 465 . 1 1 40 40 ARG H H 1 9.04 0.01 . 1 . . . . 41 ARG H . 15276 1 466 . 1 1 40 40 ARG HA H 1 4.56 0.01 . 1 . . . . 41 ARG HA . 15276 1 467 . 1 1 40 40 ARG HB2 H 1 1.59 0.01 . 1 . . . . 41 ARG HB2 . 15276 1 468 . 1 1 40 40 ARG HB3 H 1 1.59 0.01 . 1 . . . . 41 ARG HB3 . 15276 1 469 . 1 1 40 40 ARG HD2 H 1 3.25 0.01 . 1 . . . . 41 ARG HD2 . 15276 1 470 . 1 1 40 40 ARG HD3 H 1 3.25 0.01 . 1 . . . . 41 ARG HD3 . 15276 1 471 . 1 1 40 40 ARG HE H 1 7.12 0.01 . 1 . . . . 41 ARG HE . 15276 1 472 . 1 1 40 40 ARG HG2 H 1 1.88 0.01 . 2 . . . . 41 ARG HG2 . 15276 1 473 . 1 1 40 40 ARG HG3 H 1 1.57 0.01 . 2 . . . . 41 ARG HG3 . 15276 1 474 . 1 1 40 40 ARG HH21 H 1 6.73 0.01 . 1 . . . . 41 ARG HH21 . 15276 1 475 . 1 1 40 40 ARG HH22 H 1 6.73 0.01 . 1 . . . . 41 ARG HH22 . 15276 1 476 . 1 1 40 40 ARG CA C 13 54.7 0.1 . 1 . . . . 41 ARG CA . 15276 1 477 . 1 1 40 40 ARG CB C 13 28.6 0.1 . 1 . . . . 41 ARG CB . 15276 1 478 . 1 1 40 40 ARG CD C 13 43.2 0.1 . 1 . . . . 41 ARG CD . 15276 1 479 . 1 1 40 40 ARG CG C 13 28.8 0.1 . 1 . . . . 41 ARG CG . 15276 1 480 . 1 1 40 40 ARG N N 15 131.3 0.1 . 1 . . . . 41 ARG N . 15276 1 481 . 1 1 40 40 ARG NE N 15 84.8 0.1 . 1 . . . . 41 ARG NE . 15276 1 482 . 1 1 40 40 ARG NH2 N 15 71.7 0.1 . 1 . . . . 41 ARG NH2 . 15276 1 483 . 1 1 41 41 PRO HA H 1 4.30 0.01 . 1 . . . . 42 PRO HA . 15276 1 484 . 1 1 41 41 PRO HB2 H 1 2.25 0.01 . 2 . . . . 42 PRO HB2 . 15276 1 485 . 1 1 41 41 PRO HB3 H 1 1.85 0.01 . 2 . . . . 42 PRO HB3 . 15276 1 486 . 1 1 41 41 PRO HD2 H 1 3.85 0.01 . 2 . . . . 42 PRO HD2 . 15276 1 487 . 1 1 41 41 PRO HD3 H 1 3.58 0.01 . 2 . . . . 42 PRO HD3 . 15276 1 488 . 1 1 41 41 PRO HG2 H 1 2.11 0.01 . 2 . . . . 42 PRO HG2 . 15276 1 489 . 1 1 41 41 PRO HG3 H 1 1.99 0.01 . 2 . . . . 42 PRO HG3 . 15276 1 490 . 1 1 41 41 PRO C C 13 178.7 0.1 . 1 . . . . 42 PRO C . 15276 1 491 . 1 1 41 41 PRO CA C 13 64.3 0.1 . 1 . . . . 42 PRO CA . 15276 1 492 . 1 1 41 41 PRO CB C 13 31.4 0.1 . 1 . . . . 42 PRO CB . 15276 1 493 . 1 1 41 41 PRO CD C 13 50.6 0.1 . 1 . . . . 42 PRO CD . 15276 1 494 . 1 1 41 41 PRO CG C 13 27.9 0.1 . 1 . . . . 42 PRO CG . 15276 1 495 . 1 1 42 42 GLY H H 1 8.85 0.01 . 1 . . . . 43 GLY H . 15276 1 496 . 1 1 42 42 GLY HA2 H 1 4.13 0.01 . 2 . . . . 43 GLY HA2 . 15276 1 497 . 1 1 42 42 GLY HA3 H 1 3.78 0.01 . 2 . . . . 43 GLY HA3 . 15276 1 498 . 1 1 42 42 GLY C C 13 174.2 0.1 . 1 . . . . 43 GLY C . 15276 1 499 . 1 1 42 42 GLY CA C 13 45.9 0.1 . 1 . . . . 43 GLY CA . 15276 1 500 . 1 1 42 42 GLY N N 15 113.9 0.1 . 1 . . . . 43 GLY N . 15276 1 501 . 1 1 43 43 SER H H 1 7.97 0.01 . 1 . . . . 44 SER H . 15276 1 502 . 1 1 43 43 SER HA H 1 5.00 0.01 . 1 . . . . 44 SER HA . 15276 1 503 . 1 1 43 43 SER HB2 H 1 3.94 0.01 . 2 . . . . 44 SER HB2 . 15276 1 504 . 1 1 43 43 SER HB3 H 1 3.77 0.01 . 2 . . . . 44 SER HB3 . 15276 1 505 . 1 1 43 43 SER C C 13 173.2 0.1 . 1 . . . . 44 SER C . 15276 1 506 . 1 1 43 43 SER CA C 13 56.9 0.1 . 1 . . . . 44 SER CA . 15276 1 507 . 1 1 43 43 SER CB C 13 65.9 0.1 . 1 . . . . 44 SER CB . 15276 1 508 . 1 1 43 43 SER N N 15 115.1 0.1 . 1 . . . . 44 SER N . 15276 1 509 . 1 1 44 44 SER H H 1 8.43 0.01 . 1 . . . . 45 SER H . 15276 1 510 . 1 1 44 44 SER HA H 1 4.56 0.01 . 1 . . . . 45 SER HA . 15276 1 511 . 1 1 44 44 SER HB2 H 1 3.89 0.01 . 1 . . . . 45 SER HB2 . 15276 1 512 . 1 1 44 44 SER HB3 H 1 3.89 0.01 . 1 . . . . 45 SER HB3 . 15276 1 513 . 1 1 44 44 SER C C 13 173.7 0.1 . 1 . . . . 45 SER C . 15276 1 514 . 1 1 44 44 SER CA C 13 57.9 0.1 . 1 . . . . 45 SER CA . 15276 1 515 . 1 1 44 44 SER CB C 13 64.8 0.1 . 1 . . . . 45 SER CB . 15276 1 516 . 1 1 44 44 SER N N 15 116.7 0.1 . 1 . . . . 45 SER N . 15276 1 517 . 1 1 45 45 PRO HA H 1 4.38 0.01 . 1 . . . . 46 PRO HA . 15276 1 518 . 1 1 45 45 PRO HB2 H 1 2.25 0.01 . 2 . . . . 46 PRO HB2 . 15276 1 519 . 1 1 45 45 PRO HB3 H 1 1.90 0.01 . 2 . . . . 46 PRO HB3 . 15276 1 520 . 1 1 45 45 PRO HD2 H 1 3.76 0.01 . 2 . . . . 46 PRO HD2 . 15276 1 521 . 1 1 45 45 PRO HD3 H 1 3.65 0.01 . 2 . . . . 46 PRO HD3 . 15276 1 522 . 1 1 45 45 PRO HG2 H 1 1.98 0.01 . 1 . . . . 46 PRO HG2 . 15276 1 523 . 1 1 45 45 PRO HG3 H 1 1.98 0.01 . 1 . . . . 46 PRO HG3 . 15276 1 524 . 1 1 45 45 PRO C C 13 176.4 0.1 . 1 . . . . 46 PRO C . 15276 1 525 . 1 1 45 45 PRO CA C 13 63.6 0.1 . 1 . . . . 46 PRO CA . 15276 1 526 . 1 1 45 45 PRO CB C 13 32.2 0.1 . 1 . . . . 46 PRO CB . 15276 1 527 . 1 1 45 45 PRO CD C 13 51.1 0.1 . 1 . . . . 46 PRO CD . 15276 1 528 . 1 1 45 45 PRO CG C 13 27.6 0.1 . 1 . . . . 46 PRO CG . 15276 1 529 . 1 1 46 46 THR H H 1 9.20 0.01 . 1 . . . . 47 THR H . 15276 1 530 . 1 1 46 46 THR HA H 1 4.77 0.01 . 1 . . . . 47 THR HA . 15276 1 531 . 1 1 46 46 THR HB H 1 4.19 0.01 . 1 . . . . 47 THR HB . 15276 1 532 . 1 1 46 46 THR HG21 H 1 1.18 0.01 . 1 . . . . 47 THR HG2 . 15276 1 533 . 1 1 46 46 THR HG22 H 1 1.18 0.01 . 1 . . . . 47 THR HG2 . 15276 1 534 . 1 1 46 46 THR HG23 H 1 1.18 0.01 . 1 . . . . 47 THR HG2 . 15276 1 535 . 1 1 46 46 THR C C 13 174.2 0.1 . 1 . . . . 47 THR C . 15276 1 536 . 1 1 46 46 THR CA C 13 60.7 0.1 . 1 . . . . 47 THR CA . 15276 1 537 . 1 1 46 46 THR CB C 13 71.1 0.1 . 1 . . . . 47 THR CB . 15276 1 538 . 1 1 46 46 THR CG2 C 13 21.3 0.1 . 1 . . . . 47 THR CG2 . 15276 1 539 . 1 1 46 46 THR N N 15 117.3 0.1 . 1 . . . . 47 THR N . 15276 1 540 . 1 1 47 47 THR H H 1 8.98 0.01 . 1 . . . . 48 THR H . 15276 1 541 . 1 1 47 47 THR HA H 1 4.12 0.01 . 1 . . . . 48 THR HA . 15276 1 542 . 1 1 47 47 THR HB H 1 3.93 0.01 . 1 . . . . 48 THR HB . 15276 1 543 . 1 1 47 47 THR HG21 H 1 1.04 0.01 . 1 . . . . 48 THR HG2 . 15276 1 544 . 1 1 47 47 THR HG22 H 1 1.04 0.01 . 1 . . . . 48 THR HG2 . 15276 1 545 . 1 1 47 47 THR HG23 H 1 1.04 0.01 . 1 . . . . 48 THR HG2 . 15276 1 546 . 1 1 47 47 THR C C 13 174.9 0.1 . 1 . . . . 48 THR C . 15276 1 547 . 1 1 47 47 THR CA C 13 64.8 0.1 . 1 . . . . 48 THR CA . 15276 1 548 . 1 1 47 47 THR CB C 13 69.0 0.1 . 1 . . . . 48 THR CB . 15276 1 549 . 1 1 47 47 THR CG2 C 13 22.6 0.1 . 1 . . . . 48 THR CG2 . 15276 1 550 . 1 1 47 47 THR N N 15 123.7 0.1 . 1 . . . . 48 THR N . 15276 1 551 . 1 1 48 48 VAL H H 1 9.01 0.01 . 1 . . . . 49 VAL H . 15276 1 552 . 1 1 48 48 VAL HA H 1 4.48 0.01 . 1 . . . . 49 VAL HA . 15276 1 553 . 1 1 48 48 VAL HB H 1 1.70 0.01 . 1 . . . . 49 VAL HB . 15276 1 554 . 1 1 48 48 VAL HG11 H 1 0.52 0.01 . 2 . . . . 49 VAL HG1 . 15276 1 555 . 1 1 48 48 VAL HG12 H 1 0.52 0.01 . 2 . . . . 49 VAL HG1 . 15276 1 556 . 1 1 48 48 VAL HG13 H 1 0.52 0.01 . 2 . . . . 49 VAL HG1 . 15276 1 557 . 1 1 48 48 VAL HG21 H 1 0.79 0.01 . 2 . . . . 49 VAL HG2 . 15276 1 558 . 1 1 48 48 VAL HG22 H 1 0.79 0.01 . 2 . . . . 49 VAL HG2 . 15276 1 559 . 1 1 48 48 VAL HG23 H 1 0.79 0.01 . 2 . . . . 49 VAL HG2 . 15276 1 560 . 1 1 48 48 VAL C C 13 172.7 0.1 . 1 . . . . 49 VAL C . 15276 1 561 . 1 1 48 48 VAL CA C 13 62.2 0.1 . 1 . . . . 49 VAL CA . 15276 1 562 . 1 1 48 48 VAL CB C 13 33.6 0.1 . 1 . . . . 49 VAL CB . 15276 1 563 . 1 1 48 48 VAL CG1 C 13 22.9 0.1 . 1 . . . . 49 VAL CG1 . 15276 1 564 . 1 1 48 48 VAL CG2 C 13 20.2 0.1 . 1 . . . . 49 VAL CG2 . 15276 1 565 . 1 1 48 48 VAL N N 15 121.3 0.1 . 1 . . . . 49 VAL N . 15276 1 566 . 1 1 49 49 ILE H H 1 7.28 0.01 . 1 . . . . 50 ILE H . 15276 1 567 . 1 1 49 49 ILE HA H 1 5.10 0.01 . 1 . . . . 50 ILE HA . 15276 1 568 . 1 1 49 49 ILE HB H 1 1.94 0.01 . 1 . . . . 50 ILE HB . 15276 1 569 . 1 1 49 49 ILE HD11 H 1 0.54 0.01 . 1 . . . . 50 ILE HD1 . 15276 1 570 . 1 1 49 49 ILE HD12 H 1 0.54 0.01 . 1 . . . . 50 ILE HD1 . 15276 1 571 . 1 1 49 49 ILE HD13 H 1 0.54 0.01 . 1 . . . . 50 ILE HD1 . 15276 1 572 . 1 1 49 49 ILE HG12 H 1 1.29 0.01 . 2 . . . . 50 ILE HG12 . 15276 1 573 . 1 1 49 49 ILE HG13 H 1 0.91 0.01 . 2 . . . . 50 ILE HG13 . 15276 1 574 . 1 1 49 49 ILE HG21 H 1 0.77 0.01 . 1 . . . . 50 ILE HG2 . 15276 1 575 . 1 1 49 49 ILE HG22 H 1 0.77 0.01 . 1 . . . . 50 ILE HG2 . 15276 1 576 . 1 1 49 49 ILE HG23 H 1 0.77 0.01 . 1 . . . . 50 ILE HG2 . 15276 1 577 . 1 1 49 49 ILE C C 13 175.0 0.1 . 1 . . . . 50 ILE C . 15276 1 578 . 1 1 49 49 ILE CA C 13 56.4 0.1 . 1 . . . . 50 ILE CA . 15276 1 579 . 1 1 49 49 ILE CB C 13 41.3 0.1 . 1 . . . . 50 ILE CB . 15276 1 580 . 1 1 49 49 ILE CD1 C 13 9.3 0.1 . 1 . . . . 50 ILE CD1 . 15276 1 581 . 1 1 49 49 ILE CG1 C 13 27.4 0.1 . 1 . . . . 50 ILE CG1 . 15276 1 582 . 1 1 49 49 ILE CG2 C 13 17.9 0.1 . 1 . . . . 50 ILE CG2 . 15276 1 583 . 1 1 49 49 ILE N N 15 116.5 0.1 . 1 . . . . 50 ILE N . 15276 1 584 . 1 1 50 50 TYR H H 1 9.48 0.01 . 1 . . . . 51 TYR H . 15276 1 585 . 1 1 50 50 TYR HA H 1 5.21 0.01 . 1 . . . . 51 TYR HA . 15276 1 586 . 1 1 50 50 TYR HB2 H 1 3.07 0.01 . 2 . . . . 51 TYR HB2 . 15276 1 587 . 1 1 50 50 TYR HB3 H 1 2.78 0.01 . 2 . . . . 51 TYR HB3 . 15276 1 588 . 1 1 50 50 TYR HD1 H 1 6.75 0.01 . 1 . . . . 51 TYR HD1 . 15276 1 589 . 1 1 50 50 TYR HD2 H 1 6.75 0.01 . 1 . . . . 51 TYR HD2 . 15276 1 590 . 1 1 50 50 TYR HE1 H 1 6.37 0.01 . 1 . . . . 51 TYR HE1 . 15276 1 591 . 1 1 50 50 TYR HE2 H 1 6.37 0.01 . 1 . . . . 51 TYR HE2 . 15276 1 592 . 1 1 50 50 TYR C C 13 172.6 0.1 . 1 . . . . 51 TYR C . 15276 1 593 . 1 1 50 50 TYR CA C 13 54.9 0.1 . 1 . . . . 51 TYR CA . 15276 1 594 . 1 1 50 50 TYR CB C 13 41.2 0.1 . 1 . . . . 51 TYR CB . 15276 1 595 . 1 1 50 50 TYR CD1 C 13 133.0 0.1 . 1 . . . . 51 TYR CD1 . 15276 1 596 . 1 1 50 50 TYR CD2 C 13 133.0 0.1 . 1 . . . . 51 TYR CD2 . 15276 1 597 . 1 1 50 50 TYR CE1 C 13 117.8 0.1 . 1 . . . . 51 TYR CE1 . 15276 1 598 . 1 1 50 50 TYR CE2 C 13 117.8 0.1 . 1 . . . . 51 TYR CE2 . 15276 1 599 . 1 1 50 50 TYR N N 15 123.1 0.1 . 1 . . . . 51 TYR N . 15276 1 600 . 1 1 51 51 GLU H H 1 9.27 0.01 . 1 . . . . 52 GLU H . 15276 1 601 . 1 1 51 51 GLU HA H 1 3.04 0.01 . 1 . . . . 52 GLU HA . 15276 1 602 . 1 1 51 51 GLU HB2 H 1 1.56 0.01 . 9 . . . . 52 GLU HB2 . 15276 1 603 . 1 1 51 51 GLU HB3 H 1 1.45 0.01 . 9 . . . . 52 GLU HB3 . 15276 1 604 . 1 1 51 51 GLU HG2 H 1 1.83 0.01 . 2 . . . . 52 GLU HG2 . 15276 1 605 . 1 1 51 51 GLU HG3 H 1 0.94 0.01 . 2 . . . . 52 GLU HG3 . 15276 1 606 . 1 1 51 51 GLU C C 13 176.6 0.1 . 1 . . . . 52 GLU C . 15276 1 607 . 1 1 51 51 GLU CA C 13 57.4 0.1 . 1 . . . . 52 GLU CA . 15276 1 608 . 1 1 51 51 GLU CB C 13 26.8 0.1 . 1 . . . . 52 GLU CB . 15276 1 609 . 1 1 51 51 GLU CG C 13 35.6 0.1 . 1 . . . . 52 GLU CG . 15276 1 610 . 1 1 51 51 GLU N N 15 116.1 0.1 . 1 . . . . 52 GLU N . 15276 1 611 . 1 1 52 52 ASP H H 1 9.01 0.01 . 1 . . . . 53 ASP H . 15276 1 612 . 1 1 52 52 ASP HA H 1 4.15 0.01 . 1 . . . . 53 ASP HA . 15276 1 613 . 1 1 52 52 ASP HB2 H 1 2.46 0.01 . 1 . . . . 53 ASP HB2 . 15276 1 614 . 1 1 52 52 ASP HB3 H 1 2.46 0.01 . 1 . . . . 53 ASP HB3 . 15276 1 615 . 1 1 52 52 ASP C C 13 177.7 0.1 . 1 . . . . 53 ASP C . 15276 1 616 . 1 1 52 52 ASP CA C 13 59.3 0.1 . 1 . . . . 53 ASP CA . 15276 1 617 . 1 1 52 52 ASP CB C 13 38.7 0.1 . 1 . . . . 53 ASP CB . 15276 1 618 . 1 1 52 52 ASP N N 15 112.3 0.1 . 1 . . . . 53 ASP N . 15276 1 619 . 1 1 53 53 ASN H H 1 8.72 0.01 . 1 . . . . 54 ASN H . 15276 1 620 . 1 1 53 53 ASN HA H 1 4.49 0.01 . 1 . . . . 54 ASN HA . 15276 1 621 . 1 1 53 53 ASN HB2 H 1 3.21 0.01 . 2 . . . . 54 ASN HB2 . 15276 1 622 . 1 1 53 53 ASN HB3 H 1 2.62 0.01 . 2 . . . . 54 ASN HB3 . 15276 1 623 . 1 1 53 53 ASN HD21 H 1 7.58 0.01 . 2 . . . . 54 ASN HD21 . 15276 1 624 . 1 1 53 53 ASN HD22 H 1 6.87 0.01 . 2 . . . . 54 ASN HD22 . 15276 1 625 . 1 1 53 53 ASN C C 13 176.0 0.1 . 1 . . . . 54 ASN C . 15276 1 626 . 1 1 53 53 ASN CA C 13 53.1 0.1 . 1 . . . . 54 ASN CA . 15276 1 627 . 1 1 53 53 ASN CB C 13 39.9 0.1 . 1 . . . . 54 ASN CB . 15276 1 628 . 1 1 53 53 ASN N N 15 116.0 0.1 . 1 . . . . 54 ASN N . 15276 1 629 . 1 1 53 53 ASN ND2 N 15 110.8 0.1 . 1 . . . . 54 ASN ND2 . 15276 1 630 . 1 1 54 54 GLN H H 1 8.68 0.01 . 1 . . . . 55 GLN H . 15276 1 631 . 1 1 54 54 GLN HA H 1 4.37 0.01 . 1 . . . . 55 GLN HA . 15276 1 632 . 1 1 54 54 GLN HB2 H 1 1.92 0.01 . 9 . . . . 55 GLN HB2 . 15276 1 633 . 1 1 54 54 GLN HB3 H 1 1.39 0.01 . 9 . . . . 55 GLN HB3 . 15276 1 634 . 1 1 54 54 GLN HE21 H 1 7.47 0.01 . 2 . . . . 55 GLN HE21 . 15276 1 635 . 1 1 54 54 GLN HE22 H 1 6.79 0.01 . 2 . . . . 55 GLN HE22 . 15276 1 636 . 1 1 54 54 GLN HG2 H 1 2.26 0.01 . 2 . . . . 55 GLN HG2 . 15276 1 637 . 1 1 54 54 GLN HG3 H 1 2.08 0.01 . 2 . . . . 55 GLN HG3 . 15276 1 638 . 1 1 54 54 GLN C C 13 174.1 0.1 . 1 . . . . 55 GLN C . 15276 1 639 . 1 1 54 54 GLN CA C 13 54.6 0.1 . 1 . . . . 55 GLN CA . 15276 1 640 . 1 1 54 54 GLN CB C 13 28.9 0.1 . 1 . . . . 55 GLN CB . 15276 1 641 . 1 1 54 54 GLN CG C 13 33.5 0.1 . 1 . . . . 55 GLN CG . 15276 1 642 . 1 1 54 54 GLN N N 15 121.0 0.1 . 1 . . . . 55 GLN N . 15276 1 643 . 1 1 54 54 GLN NE2 N 15 115.0 0.1 . 1 . . . . 55 GLN NE2 . 15276 1 644 . 1 1 55 55 ARG H H 1 8.61 0.01 . 1 . . . . 56 ARG H . 15276 1 645 . 1 1 55 55 ARG HA H 1 5.12 0.01 . 1 . . . . 56 ARG HA . 15276 1 646 . 1 1 55 55 ARG HB2 H 1 1.78 0.01 . 2 . . . . 56 ARG HB2 . 15276 1 647 . 1 1 55 55 ARG HB3 H 1 1.61 0.01 . 2 . . . . 56 ARG HB3 . 15276 1 648 . 1 1 55 55 ARG HD2 H 1 3.62 0.01 . 2 . . . . 56 ARG HD2 . 15276 1 649 . 1 1 55 55 ARG HD3 H 1 3.12 0.01 . 2 . . . . 56 ARG HD3 . 15276 1 650 . 1 1 55 55 ARG HE H 1 7.27 0.01 . 1 . . . . 56 ARG HE . 15276 1 651 . 1 1 55 55 ARG HG2 H 1 1.74 0.01 . 2 . . . . 56 ARG HG2 . 15276 1 652 . 1 1 55 55 ARG HG3 H 1 1.61 0.01 . 2 . . . . 56 ARG HG3 . 15276 1 653 . 1 1 55 55 ARG HH11 H 1 7.10 0.01 . 2 . . . . 56 ARG HH11 . 15276 1 654 . 1 1 55 55 ARG HH12 H 1 7.10 0.01 . 2 . . . . 56 ARG HH12 . 15276 1 655 . 1 1 55 55 ARG HH21 H 1 6.65 0.01 . 2 . . . . 56 ARG HH21 . 15276 1 656 . 1 1 55 55 ARG HH22 H 1 6.65 0.01 . 2 . . . . 56 ARG HH22 . 15276 1 657 . 1 1 55 55 ARG C C 13 175.6 0.1 . 1 . . . . 56 ARG C . 15276 1 658 . 1 1 55 55 ARG CA C 13 53.0 0.1 . 1 . . . . 56 ARG CA . 15276 1 659 . 1 1 55 55 ARG CB C 13 33.1 0.1 . 1 . . . . 56 ARG CB . 15276 1 660 . 1 1 55 55 ARG CD C 13 43.7 0.1 . 1 . . . . 56 ARG CD . 15276 1 661 . 1 1 55 55 ARG CG C 13 28.0 0.1 . 1 . . . . 56 ARG CG . 15276 1 662 . 1 1 55 55 ARG N N 15 122.5 0.1 . 1 . . . . 56 ARG N . 15276 1 663 . 1 1 55 55 ARG NE N 15 83.9 0.1 . 1 . . . . 56 ARG NE . 15276 1 664 . 1 1 55 55 ARG NH1 N 15 72.3 0.1 . 2 . . . . 56 ARG NH1 . 15276 1 665 . 1 1 55 55 ARG NH2 N 15 71.5 0.1 . 2 . . . . 56 ARG NH2 . 15276 1 666 . 1 1 56 56 PRO HA H 1 4.58 0.01 . 1 . . . . 57 PRO HA . 15276 1 667 . 1 1 56 56 PRO HB2 H 1 2.33 0.01 . 2 . . . . 57 PRO HB2 . 15276 1 668 . 1 1 56 56 PRO HB3 H 1 1.84 0.01 . 2 . . . . 57 PRO HB3 . 15276 1 669 . 1 1 56 56 PRO HD2 H 1 3.72 0.01 . 2 . . . . 57 PRO HD2 . 15276 1 670 . 1 1 56 56 PRO HD3 H 1 3.52 0.01 . 2 . . . . 57 PRO HD3 . 15276 1 671 . 1 1 56 56 PRO HG2 H 1 1.88 0.01 . 2 . . . . 57 PRO HG2 . 15276 1 672 . 1 1 56 56 PRO HG3 H 1 1.69 0.01 . 2 . . . . 57 PRO HG3 . 15276 1 673 . 1 1 56 56 PRO C C 13 176.2 0.1 . 1 . . . . 57 PRO C . 15276 1 674 . 1 1 56 56 PRO CA C 13 62.1 0.1 . 1 . . . . 57 PRO CA . 15276 1 675 . 1 1 56 56 PRO CB C 13 32.5 0.1 . 1 . . . . 57 PRO CB . 15276 1 676 . 1 1 56 56 PRO CD C 13 51.6 0.1 . 1 . . . . 57 PRO CD . 15276 1 677 . 1 1 56 56 PRO CG C 13 26.9 0.1 . 1 . . . . 57 PRO CG . 15276 1 678 . 1 1 57 57 SER H H 1 8.55 0.01 . 1 . . . . 58 SER H . 15276 1 679 . 1 1 57 57 SER HA H 1 4.22 0.01 . 1 . . . . 58 SER HA . 15276 1 680 . 1 1 57 57 SER HB2 H 1 3.88 0.01 . 1 . . . . 58 SER HB2 . 15276 1 681 . 1 1 57 57 SER HB3 H 1 3.88 0.01 . 1 . . . . 58 SER HB3 . 15276 1 682 . 1 1 57 57 SER C C 13 176.2 0.1 . 1 . . . . 58 SER C . 15276 1 683 . 1 1 57 57 SER CA C 13 60.3 0.1 . 1 . . . . 58 SER CA . 15276 1 684 . 1 1 57 57 SER CB C 13 63.0 0.1 . 1 . . . . 58 SER CB . 15276 1 685 . 1 1 57 57 SER N N 15 116.3 0.1 . 1 . . . . 58 SER N . 15276 1 686 . 1 1 58 58 GLY H H 1 8.74 0.01 . 1 . . . . 59 GLY H . 15276 1 687 . 1 1 58 58 GLY HA2 H 1 4.20 0.01 . 2 . . . . 59 GLY HA2 . 15276 1 688 . 1 1 58 58 GLY HA3 H 1 3.73 0.01 . 2 . . . . 59 GLY HA3 . 15276 1 689 . 1 1 58 58 GLY C C 13 174.3 0.1 . 1 . . . . 59 GLY C . 15276 1 690 . 1 1 58 58 GLY CA C 13 45.3 0.1 . 1 . . . . 59 GLY CA . 15276 1 691 . 1 1 58 58 GLY N N 15 113.1 0.1 . 1 . . . . 59 GLY N . 15276 1 692 . 1 1 59 59 VAL H H 1 7.49 0.01 . 1 . . . . 60 VAL H . 15276 1 693 . 1 1 59 59 VAL HA H 1 4.36 0.01 . 1 . . . . 60 VAL HA . 15276 1 694 . 1 1 59 59 VAL HB H 1 2.08 0.01 . 1 . . . . 60 VAL HB . 15276 1 695 . 1 1 59 59 VAL HG11 H 1 0.97 0.01 . 2 . . . . 60 VAL HG1 . 15276 1 696 . 1 1 59 59 VAL HG12 H 1 0.97 0.01 . 2 . . . . 60 VAL HG1 . 15276 1 697 . 1 1 59 59 VAL HG13 H 1 0.97 0.01 . 2 . . . . 60 VAL HG1 . 15276 1 698 . 1 1 59 59 VAL HG21 H 1 1.06 0.01 . 2 . . . . 60 VAL HG2 . 15276 1 699 . 1 1 59 59 VAL HG22 H 1 1.06 0.01 . 2 . . . . 60 VAL HG2 . 15276 1 700 . 1 1 59 59 VAL HG23 H 1 1.06 0.01 . 2 . . . . 60 VAL HG2 . 15276 1 701 . 1 1 59 59 VAL C C 13 174.6 0.1 . 1 . . . . 60 VAL C . 15276 1 702 . 1 1 59 59 VAL CA C 13 60.4 0.1 . 1 . . . . 60 VAL CA . 15276 1 703 . 1 1 59 59 VAL CB C 13 33.2 0.1 . 1 . . . . 60 VAL CB . 15276 1 704 . 1 1 59 59 VAL CG1 C 13 23.1 0.1 . 2 . . . . 60 VAL CG1 . 15276 1 705 . 1 1 59 59 VAL CG2 C 13 19.8 0.1 . 2 . . . . 60 VAL CG2 . 15276 1 706 . 1 1 59 59 VAL N N 15 124.3 0.1 . 1 . . . . 60 VAL N . 15276 1 707 . 1 1 60 60 PRO HA H 1 4.55 0.01 . 1 . . . . 61 PRO HA . 15276 1 708 . 1 1 60 60 PRO HB2 H 1 2.61 0.01 . 2 . . . . 61 PRO HB2 . 15276 1 709 . 1 1 60 60 PRO HB3 H 1 2.05 0.01 . 2 . . . . 61 PRO HB3 . 15276 1 710 . 1 1 60 60 PRO HD2 H 1 4.03 0.01 . 2 . . . . 61 PRO HD2 . 15276 1 711 . 1 1 60 60 PRO HD3 H 1 3.70 0.01 . 2 . . . . 61 PRO HD3 . 15276 1 712 . 1 1 60 60 PRO HG2 H 1 2.26 0.01 . 2 . . . . 61 PRO HG2 . 15276 1 713 . 1 1 60 60 PRO HG3 H 1 2.20 0.01 . 2 . . . . 61 PRO HG3 . 15276 1 714 . 1 1 60 60 PRO C C 13 176.5 0.1 . 1 . . . . 61 PRO C . 15276 1 715 . 1 1 60 60 PRO CA C 13 63.4 0.1 . 1 . . . . 61 PRO CA . 15276 1 716 . 1 1 60 60 PRO CB C 13 33.5 0.1 . 1 . . . . 61 PRO CB . 15276 1 717 . 1 1 60 60 PRO CD C 13 51.5 0.1 . 1 . . . . 61 PRO CD . 15276 1 718 . 1 1 60 60 PRO CG C 13 27.4 0.1 . 1 . . . . 61 PRO CG . 15276 1 719 . 1 1 61 61 ASP H H 1 8.52 0.01 . 1 . . . . 62 ASP H . 15276 1 720 . 1 1 61 61 ASP HA H 1 4.11 0.01 . 1 . . . . 62 ASP HA . 15276 1 721 . 1 1 61 61 ASP HB2 H 1 2.93 0.01 . 2 . . . . 62 ASP HB2 . 15276 1 722 . 1 1 61 61 ASP HB3 H 1 2.62 0.01 . 2 . . . . 62 ASP HB3 . 15276 1 723 . 1 1 61 61 ASP C C 13 175.6 0.1 . 1 . . . . 62 ASP C . 15276 1 724 . 1 1 61 61 ASP CA C 13 55.5 0.1 . 1 . . . . 62 ASP CA . 15276 1 725 . 1 1 61 61 ASP CB C 13 39.4 0.1 . 1 . . . . 62 ASP CB . 15276 1 726 . 1 1 61 61 ASP N N 15 119.4 0.1 . 1 . . . . 62 ASP N . 15276 1 727 . 1 1 62 62 ARG H H 1 6.67 0.01 . 1 . . . . 63 ARG H . 15276 1 728 . 1 1 62 62 ARG HA H 1 4.08 0.01 . 1 . . . . 63 ARG HA . 15276 1 729 . 1 1 62 62 ARG HB2 H 1 1.91 0.01 . 9 . . . . 63 ARG HB2 . 15276 1 730 . 1 1 62 62 ARG HB3 H 1 1.91 0.01 . 9 . . . . 63 ARG HB3 . 15276 1 731 . 1 1 62 62 ARG HD2 H 1 3.21 0.01 . 9 . . . . 63 ARG HD2 . 15276 1 732 . 1 1 62 62 ARG HD3 H 1 3.08 0.01 . 9 . . . . 63 ARG HD3 . 15276 1 733 . 1 1 62 62 ARG HG2 H 1 2.22 0.01 . 9 . . . . 63 ARG HG2 . 15276 1 734 . 1 1 62 62 ARG HG3 H 1 2.22 0.01 . 9 . . . . 63 ARG HG3 . 15276 1 735 . 1 1 62 62 ARG C C 13 175.8 0.1 . 1 . . . . 63 ARG C . 15276 1 736 . 1 1 62 62 ARG CA C 13 57.0 0.1 . 1 . . . . 63 ARG CA . 15276 1 737 . 1 1 62 62 ARG CB C 13 29.3 0.1 . 1 . . . . 63 ARG CB . 15276 1 738 . 1 1 62 62 ARG CD C 13 42.4 0.1 . 1 . . . . 63 ARG CD . 15276 1 739 . 1 1 62 62 ARG CG C 13 28.6 0.1 . 9 . . . . 63 ARG CG . 15276 1 740 . 1 1 62 62 ARG N N 15 114.8 0.1 . 1 . . . . 63 ARG N . 15276 1 741 . 1 1 63 63 PHE H H 1 7.68 0.01 . 1 . . . . 64 PHE H . 15276 1 742 . 1 1 63 63 PHE HA H 1 4.81 0.01 . 1 . . . . 64 PHE HA . 15276 1 743 . 1 1 63 63 PHE HB2 H 1 3.01 0.01 . 2 . . . . 64 PHE HB2 . 15276 1 744 . 1 1 63 63 PHE HB3 H 1 2.36 0.01 . 2 . . . . 64 PHE HB3 . 15276 1 745 . 1 1 63 63 PHE HD1 H 1 7.09 0.01 . 1 . . . . 64 PHE HD1 . 15276 1 746 . 1 1 63 63 PHE HD2 H 1 7.09 0.01 . 1 . . . . 64 PHE HD2 . 15276 1 747 . 1 1 63 63 PHE HE1 H 1 7.23 0.01 . 1 . . . . 64 PHE HE1 . 15276 1 748 . 1 1 63 63 PHE HE2 H 1 7.23 0.01 . 1 . . . . 64 PHE HE2 . 15276 1 749 . 1 1 63 63 PHE HZ H 1 7.35 0.01 . 1 . . . . 64 PHE HZ . 15276 1 750 . 1 1 63 63 PHE C C 13 174.6 0.1 . 1 . . . . 64 PHE C . 15276 1 751 . 1 1 63 63 PHE CA C 13 57.8 0.1 . 1 . . . . 64 PHE CA . 15276 1 752 . 1 1 63 63 PHE CB C 13 40.3 0.1 . 1 . . . . 64 PHE CB . 15276 1 753 . 1 1 63 63 PHE CD1 C 13 131.7 0.1 . 1 . . . . 64 PHE CD1 . 15276 1 754 . 1 1 63 63 PHE CD2 C 13 131.7 0.1 . 1 . . . . 64 PHE CD2 . 15276 1 755 . 1 1 63 63 PHE CE1 C 13 131.4 0.1 . 1 . . . . 64 PHE CE1 . 15276 1 756 . 1 1 63 63 PHE CE2 C 13 131.4 0.1 . 1 . . . . 64 PHE CE2 . 15276 1 757 . 1 1 63 63 PHE CZ C 13 130.6 0.1 . 1 . . . . 64 PHE CZ . 15276 1 758 . 1 1 63 63 PHE N N 15 120.0 0.1 . 1 . . . . 64 PHE N . 15276 1 759 . 1 1 64 64 SER H H 1 8.91 0.01 . 1 . . . . 65 SER H . 15276 1 760 . 1 1 64 64 SER HA H 1 4.73 0.01 . 1 . . . . 65 SER HA . 15276 1 761 . 1 1 64 64 SER HB2 H 1 3.75 0.01 . 2 . . . . 65 SER HB2 . 15276 1 762 . 1 1 64 64 SER HB3 H 1 3.67 0.01 . 2 . . . . 65 SER HB3 . 15276 1 763 . 1 1 64 64 SER C C 13 172.3 0.1 . 1 . . . . 65 SER C . 15276 1 764 . 1 1 64 64 SER CA C 13 57.1 0.1 . 1 . . . . 65 SER CA . 15276 1 765 . 1 1 64 64 SER CB C 13 65.8 0.1 . 1 . . . . 65 SER CB . 15276 1 766 . 1 1 64 64 SER N N 15 115.0 0.1 . 1 . . . . 65 SER N . 15276 1 767 . 1 1 65 65 GLY H H 1 8.77 0.01 . 1 . . . . 66 GLY H . 15276 1 768 . 1 1 65 65 GLY HA2 H 1 5.39 0.01 . 2 . . . . 66 GLY HA2 . 15276 1 769 . 1 1 65 65 GLY HA3 H 1 3.73 0.01 . 2 . . . . 66 GLY HA3 . 15276 1 770 . 1 1 65 65 GLY C C 13 172.6 0.1 . 1 . . . . 66 GLY C . 15276 1 771 . 1 1 65 65 GLY CA C 13 43.9 0.1 . 1 . . . . 66 GLY CA . 15276 1 772 . 1 1 65 65 GLY N N 15 109.7 0.1 . 1 . . . . 66 GLY N . 15276 1 773 . 1 1 66 66 SER H H 1 8.66 0.01 . 1 . . . . 67 SER H . 15276 1 774 . 1 1 66 66 SER HA H 1 4.77 0.01 . 1 . . . . 67 SER HA . 15276 1 775 . 1 1 66 66 SER HB2 H 1 3.80 0.01 . 1 . . . . 67 SER HB2 . 15276 1 776 . 1 1 66 66 SER HB3 H 1 3.80 0.01 . 1 . . . . 67 SER HB3 . 15276 1 777 . 1 1 66 66 SER C C 13 173.4 0.1 . 1 . . . . 67 SER C . 15276 1 778 . 1 1 66 66 SER CA C 13 57.3 0.1 . 1 . . . . 67 SER CA . 15276 1 779 . 1 1 66 66 SER CB C 13 66.1 0.1 . 1 . . . . 67 SER CB . 15276 1 780 . 1 1 66 66 SER N N 15 112.7 0.1 . 1 . . . . 67 SER N . 15276 1 781 . 1 1 67 67 ILE H H 1 8.56 0.01 . 1 . . . . 68 ILE H . 15276 1 782 . 1 1 67 67 ILE HA H 1 4.82 0.01 . 1 . . . . 68 ILE HA . 15276 1 783 . 1 1 67 67 ILE HB H 1 1.90 0.01 . 1 . . . . 68 ILE HB . 15276 1 784 . 1 1 67 67 ILE HD11 H 1 0.87 0.01 . 1 . . . . 68 ILE HD1 . 15276 1 785 . 1 1 67 67 ILE HD12 H 1 0.87 0.01 . 1 . . . . 68 ILE HD1 . 15276 1 786 . 1 1 67 67 ILE HD13 H 1 0.87 0.01 . 1 . . . . 68 ILE HD1 . 15276 1 787 . 1 1 67 67 ILE HG12 H 1 1.51 0.01 . 2 . . . . 68 ILE HG12 . 15276 1 788 . 1 1 67 67 ILE HG13 H 1 1.31 0.01 . 2 . . . . 68 ILE HG13 . 15276 1 789 . 1 1 67 67 ILE HG21 H 1 0.87 0.01 . 1 . . . . 68 ILE HG2 . 15276 1 790 . 1 1 67 67 ILE HG22 H 1 0.87 0.01 . 1 . . . . 68 ILE HG2 . 15276 1 791 . 1 1 67 67 ILE HG23 H 1 0.87 0.01 . 1 . . . . 68 ILE HG2 . 15276 1 792 . 1 1 67 67 ILE C C 13 174.7 0.1 . 1 . . . . 68 ILE C . 15276 1 793 . 1 1 67 67 ILE CA C 13 59.6 0.1 . 1 . . . . 68 ILE CA . 15276 1 794 . 1 1 67 67 ILE CB C 13 40.4 0.1 . 1 . . . . 68 ILE CB . 15276 1 795 . 1 1 67 67 ILE CD1 C 13 11.9 0.1 . 1 . . . . 68 ILE CD1 . 15276 1 796 . 1 1 67 67 ILE CG1 C 13 26.9 0.1 . 1 . . . . 68 ILE CG1 . 15276 1 797 . 1 1 67 67 ILE CG2 C 13 16.9 0.1 . 1 . . . . 68 ILE CG2 . 15276 1 798 . 1 1 67 67 ILE N N 15 121.1 0.1 . 1 . . . . 68 ILE N . 15276 1 799 . 1 1 68 68 ASP H H 1 9.11 0.01 . 1 . . . . 69 ASP H . 15276 1 800 . 1 1 68 68 ASP HA H 1 5.06 0.01 . 1 . . . . 69 ASP HA . 15276 1 801 . 1 1 68 68 ASP HB2 H 1 2.88 0.01 . 2 . . . . 69 ASP HB2 . 15276 1 802 . 1 1 68 68 ASP HB3 H 1 2.49 0.01 . 2 . . . . 69 ASP HB3 . 15276 1 803 . 1 1 68 68 ASP C C 13 176.3 0.1 . 1 . . . . 69 ASP C . 15276 1 804 . 1 1 68 68 ASP CA C 13 52.4 0.1 . 1 . . . . 69 ASP CA . 15276 1 805 . 1 1 68 68 ASP CB C 13 42.0 0.1 . 1 . . . . 69 ASP CB . 15276 1 806 . 1 1 68 68 ASP N N 15 125.6 0.1 . 1 . . . . 69 ASP N . 15276 1 807 . 1 1 69 69 SER H H 1 9.22 0.01 . 1 . . . . 70 SER H . 15276 1 808 . 1 1 69 69 SER HA H 1 4.14 0.01 . 1 . . . . 70 SER HA . 15276 1 809 . 1 1 69 69 SER HB2 H 1 4.00 0.01 . 2 . . . . 70 SER HB2 . 15276 1 810 . 1 1 69 69 SER HB3 H 1 3.88 0.01 . 2 . . . . 70 SER HB3 . 15276 1 811 . 1 1 69 69 SER C C 13 177.5 0.1 . 1 . . . . 70 SER C . 15276 1 812 . 1 1 69 69 SER CA C 13 61.8 0.1 . 1 . . . . 70 SER CA . 15276 1 813 . 1 1 69 69 SER CB C 13 62.5 0.1 . 1 . . . . 70 SER CB . 15276 1 814 . 1 1 69 69 SER N N 15 121.7 0.1 . 1 . . . . 70 SER N . 15276 1 815 . 1 1 70 70 SER H H 1 8.57 0.01 . 1 . . . . 71 SER H . 15276 1 816 . 1 1 70 70 SER HA H 1 4.34 0.01 . 1 . . . . 71 SER HA . 15276 1 817 . 1 1 70 70 SER HB2 H 1 4.03 0.01 . 1 . . . . 71 SER HB2 . 15276 1 818 . 1 1 70 70 SER HB3 H 1 4.03 0.01 . 1 . . . . 71 SER HB3 . 15276 1 819 . 1 1 70 70 SER C C 13 175.3 0.1 . 1 . . . . 71 SER C . 15276 1 820 . 1 1 70 70 SER CA C 13 62.0 0.1 . 1 . . . . 71 SER CA . 15276 1 821 . 1 1 70 70 SER CB C 13 62.9 0.1 . 1 . . . . 71 SER CB . 15276 1 822 . 1 1 70 70 SER N N 15 119.0 0.1 . 1 . . . . 71 SER N . 15276 1 823 . 1 1 71 71 SER H H 1 7.44 0.01 . 1 . . . . 72 SER H . 15276 1 824 . 1 1 71 71 SER HA H 1 4.62 0.01 . 1 . . . . 72 SER HA . 15276 1 825 . 1 1 71 71 SER HB2 H 1 4.03 0.01 . 2 . . . . 72 SER HB2 . 15276 1 826 . 1 1 71 71 SER HB3 H 1 3.75 0.01 . 2 . . . . 72 SER HB3 . 15276 1 827 . 1 1 71 71 SER C C 13 174.6 0.1 . 1 . . . . 72 SER C . 15276 1 828 . 1 1 71 71 SER CA C 13 57.9 0.1 . 1 . . . . 72 SER CA . 15276 1 829 . 1 1 71 71 SER CB C 13 64.1 0.1 . 1 . . . . 72 SER CB . 15276 1 830 . 1 1 71 71 SER N N 15 114.4 0.1 . 1 . . . . 72 SER N . 15276 1 831 . 1 1 72 72 ASN H H 1 8.11 0.01 . 1 . . . . 73 ASN H . 15276 1 832 . 1 1 72 72 ASN HA H 1 4.53 0.01 . 1 . . . . 73 ASN HA . 15276 1 833 . 1 1 72 72 ASN HB2 H 1 3.67 0.01 . 2 . . . . 73 ASN HB2 . 15276 1 834 . 1 1 72 72 ASN HB3 H 1 2.54 0.01 . 2 . . . . 73 ASN HB3 . 15276 1 835 . 1 1 72 72 ASN HD21 H 1 7.78 0.01 . 2 . . . . 73 ASN HD21 . 15276 1 836 . 1 1 72 72 ASN HD22 H 1 7.26 0.01 . 2 . . . . 73 ASN HD22 . 15276 1 837 . 1 1 72 72 ASN C C 13 173.6 0.1 . 1 . . . . 73 ASN C . 15276 1 838 . 1 1 72 72 ASN CA C 13 53.8 0.1 . 1 . . . . 73 ASN CA . 15276 1 839 . 1 1 72 72 ASN CB C 13 39.1 0.1 . 1 . . . . 73 ASN CB . 15276 1 840 . 1 1 72 72 ASN N N 15 123.6 0.1 . 1 . . . . 73 ASN N . 15276 1 841 . 1 1 72 72 ASN ND2 N 15 110.4 0.1 . 1 . . . . 73 ASN ND2 . 15276 1 842 . 1 1 73 73 SER H H 1 8.22 0.01 . 1 . . . . 74 SER H . 15276 1 843 . 1 1 73 73 SER HA H 1 5.61 0.01 . 1 . . . . 74 SER HA . 15276 1 844 . 1 1 73 73 SER HB2 H 1 3.71 0.01 . 1 . . . . 74 SER HB2 . 15276 1 845 . 1 1 73 73 SER HB3 H 1 3.71 0.01 . 1 . . . . 74 SER HB3 . 15276 1 846 . 1 1 73 73 SER C C 13 171.5 0.1 . 1 . . . . 74 SER C . 15276 1 847 . 1 1 73 73 SER CA C 13 56.9 0.1 . 1 . . . . 74 SER CA . 15276 1 848 . 1 1 73 73 SER CB C 13 68.2 0.1 . 1 . . . . 74 SER CB . 15276 1 849 . 1 1 73 73 SER N N 15 109.5 0.1 . 1 . . . . 74 SER N . 15276 1 850 . 1 1 74 74 ALA H H 1 9.33 0.01 . 1 . . . . 75 ALA H . 15276 1 851 . 1 1 74 74 ALA HA H 1 5.39 0.01 . 1 . . . . 75 ALA HA . 15276 1 852 . 1 1 74 74 ALA HB1 H 1 1.68 0.01 . 1 . . . . 75 ALA HB . 15276 1 853 . 1 1 74 74 ALA HB2 H 1 1.68 0.01 . 1 . . . . 75 ALA HB . 15276 1 854 . 1 1 74 74 ALA HB3 H 1 1.68 0.01 . 1 . . . . 75 ALA HB . 15276 1 855 . 1 1 74 74 ALA C C 13 176.7 0.1 . 1 . . . . 75 ALA C . 15276 1 856 . 1 1 74 74 ALA CA C 13 50.3 0.1 . 1 . . . . 75 ALA CA . 15276 1 857 . 1 1 74 74 ALA CB C 13 23.6 0.1 . 1 . . . . 75 ALA CB . 15276 1 858 . 1 1 74 74 ALA N N 15 125.0 0.1 . 1 . . . . 75 ALA N . 15276 1 859 . 1 1 75 75 SER H H 1 8.95 0.01 . 1 . . . . 76 SER H . 15276 1 860 . 1 1 75 75 SER HA H 1 5.63 0.01 . 1 . . . . 76 SER HA . 15276 1 861 . 1 1 75 75 SER HB2 H 1 3.43 0.01 . 1 . . . . 76 SER HB2 . 15276 1 862 . 1 1 75 75 SER HB3 H 1 3.43 0.01 . 1 . . . . 76 SER HB3 . 15276 1 863 . 1 1 75 75 SER C C 13 171.3 0.1 . 1 . . . . 76 SER C . 15276 1 864 . 1 1 75 75 SER CA C 13 57.9 0.1 . 1 . . . . 76 SER CA . 15276 1 865 . 1 1 75 75 SER CB C 13 66.8 0.1 . 1 . . . . 76 SER CB . 15276 1 866 . 1 1 75 75 SER N N 15 114.6 0.1 . 1 . . . . 76 SER N . 15276 1 867 . 1 1 76 76 LEU H H 1 8.39 0.01 . 1 . . . . 77 LEU H . 15276 1 868 . 1 1 76 76 LEU HA H 1 4.37 0.01 . 1 . . . . 77 LEU HA . 15276 1 869 . 1 1 76 76 LEU HB2 H 1 0.28 0.01 . 2 . . . . 77 LEU HB2 . 15276 1 870 . 1 1 76 76 LEU HB3 H 1 -1.51 0.01 . 2 . . . . 77 LEU HB3 . 15276 1 871 . 1 1 76 76 LEU HD11 H 1 0.24 0.01 . 2 . . . . 77 LEU HD1 . 15276 1 872 . 1 1 76 76 LEU HD12 H 1 0.24 0.01 . 2 . . . . 77 LEU HD1 . 15276 1 873 . 1 1 76 76 LEU HD13 H 1 0.24 0.01 . 2 . . . . 77 LEU HD1 . 15276 1 874 . 1 1 76 76 LEU HD21 H 1 0.35 0.01 . 2 . . . . 77 LEU HD2 . 15276 1 875 . 1 1 76 76 LEU HD22 H 1 0.35 0.01 . 2 . . . . 77 LEU HD2 . 15276 1 876 . 1 1 76 76 LEU HD23 H 1 0.35 0.01 . 2 . . . . 77 LEU HD2 . 15276 1 877 . 1 1 76 76 LEU HG H 1 0.71 0.01 . 1 . . . . 77 LEU HG . 15276 1 878 . 1 1 76 76 LEU C C 13 174.7 0.1 . 1 . . . . 77 LEU C . 15276 1 879 . 1 1 76 76 LEU CA C 13 52.5 0.1 . 1 . . . . 77 LEU CA . 15276 1 880 . 1 1 76 76 LEU CB C 13 41.4 0.1 . 1 . . . . 77 LEU CB . 15276 1 881 . 1 1 76 76 LEU CD1 C 13 27.3 0.1 . 2 . . . . 77 LEU CD1 . 15276 1 882 . 1 1 76 76 LEU CD2 C 13 23.6 0.1 . 2 . . . . 77 LEU CD2 . 15276 1 883 . 1 1 76 76 LEU CG C 13 26.8 0.1 . 1 . . . . 77 LEU CG . 15276 1 884 . 1 1 76 76 LEU N N 15 127.6 0.1 . 1 . . . . 77 LEU N . 15276 1 885 . 1 1 77 77 THR H H 1 9.07 0.01 . 1 . . . . 78 THR H . 15276 1 886 . 1 1 77 77 THR HA H 1 4.96 0.01 . 1 . . . . 78 THR HA . 15276 1 887 . 1 1 77 77 THR HB H 1 3.58 0.01 . 1 . . . . 78 THR HB . 15276 1 888 . 1 1 77 77 THR HG21 H 1 0.84 0.01 . 1 . . . . 78 THR HG2 . 15276 1 889 . 1 1 77 77 THR HG22 H 1 0.84 0.01 . 1 . . . . 78 THR HG2 . 15276 1 890 . 1 1 77 77 THR HG23 H 1 0.84 0.01 . 1 . . . . 78 THR HG2 . 15276 1 891 . 1 1 77 77 THR C C 13 173.0 0.1 . 1 . . . . 78 THR C . 15276 1 892 . 1 1 77 77 THR CA C 13 61.5 0.1 . 1 . . . . 78 THR CA . 15276 1 893 . 1 1 77 77 THR CB C 13 70.5 0.1 . 1 . . . . 78 THR CB . 15276 1 894 . 1 1 77 77 THR CG2 C 13 21.3 0.1 . 1 . . . . 78 THR CG2 . 15276 1 895 . 1 1 77 77 THR N N 15 124.6 0.1 . 1 . . . . 78 THR N . 15276 1 896 . 1 1 78 78 ILE H H 1 8.71 0.01 . 1 . . . . 79 ILE H . 15276 1 897 . 1 1 78 78 ILE HA H 1 4.21 0.01 . 1 . . . . 79 ILE HA . 15276 1 898 . 1 1 78 78 ILE HB H 1 1.23 0.01 . 1 . . . . 79 ILE HB . 15276 1 899 . 1 1 78 78 ILE HD11 H 1 0.08 0.01 . 1 . . . . 79 ILE HD1 . 15276 1 900 . 1 1 78 78 ILE HD12 H 1 0.08 0.01 . 1 . . . . 79 ILE HD1 . 15276 1 901 . 1 1 78 78 ILE HD13 H 1 0.08 0.01 . 1 . . . . 79 ILE HD1 . 15276 1 902 . 1 1 78 78 ILE HG12 H 1 0.82 0.01 . 1 . . . . 79 ILE HG12 . 15276 1 903 . 1 1 78 78 ILE HG13 H 1 0.82 0.01 . 1 . . . . 79 ILE HG13 . 15276 1 904 . 1 1 78 78 ILE HG21 H 1 -0.03 0.01 . 1 . . . . 79 ILE HG2 . 15276 1 905 . 1 1 78 78 ILE HG22 H 1 -0.03 0.01 . 1 . . . . 79 ILE HG2 . 15276 1 906 . 1 1 78 78 ILE HG23 H 1 -0.03 0.01 . 1 . . . . 79 ILE HG2 . 15276 1 907 . 1 1 78 78 ILE C C 13 175.2 0.1 . 1 . . . . 79 ILE C . 15276 1 908 . 1 1 78 78 ILE CA C 13 60.3 0.1 . 1 . . . . 79 ILE CA . 15276 1 909 . 1 1 78 78 ILE CB C 13 39.3 0.1 . 1 . . . . 79 ILE CB . 15276 1 910 . 1 1 78 78 ILE CD1 C 13 13.7 0.1 . 1 . . . . 79 ILE CD1 . 15276 1 911 . 1 1 78 78 ILE CG1 C 13 26.0 0.1 . 1 . . . . 79 ILE CG1 . 15276 1 912 . 1 1 78 78 ILE CG2 C 13 17.5 0.1 . 1 . . . . 79 ILE CG2 . 15276 1 913 . 1 1 78 78 ILE N N 15 127.1 0.1 . 1 . . . . 79 ILE N . 15276 1 914 . 1 1 79 79 SER H H 1 8.53 0.01 . 1 . . . . 80 SER H . 15276 1 915 . 1 1 79 79 SER HA H 1 4.77 0.01 . 1 . . . . 80 SER HA . 15276 1 916 . 1 1 79 79 SER HB2 H 1 3.67 0.01 . 2 . . . . 80 SER HB2 . 15276 1 917 . 1 1 79 79 SER HB3 H 1 3.59 0.01 . 2 . . . . 80 SER HB3 . 15276 1 918 . 1 1 79 79 SER C C 13 173.8 0.1 . 1 . . . . 80 SER C . 15276 1 919 . 1 1 79 79 SER CA C 13 56.6 0.1 . 1 . . . . 80 SER CA . 15276 1 920 . 1 1 79 79 SER CB C 13 64.7 0.1 . 1 . . . . 80 SER CB . 15276 1 921 . 1 1 79 79 SER N N 15 121.5 0.1 . 1 . . . . 80 SER N . 15276 1 922 . 1 1 80 80 GLY H H 1 7.78 0.01 . 1 . . . . 81 GLY H . 15276 1 923 . 1 1 80 80 GLY HA2 H 1 3.59 0.01 . 2 . . . . 81 GLY HA2 . 15276 1 924 . 1 1 80 80 GLY HA3 H 1 3.33 0.01 . 2 . . . . 81 GLY HA3 . 15276 1 925 . 1 1 80 80 GLY C C 13 174.6 0.1 . 1 . . . . 81 GLY C . 15276 1 926 . 1 1 80 80 GLY CA C 13 47.4 0.1 . 1 . . . . 81 GLY CA . 15276 1 927 . 1 1 80 80 GLY N N 15 110.3 0.1 . 1 . . . . 81 GLY N . 15276 1 928 . 1 1 81 81 LEU H H 1 7.97 0.01 . 1 . . . . 82 LEU H . 15276 1 929 . 1 1 81 81 LEU HA H 1 3.66 0.01 . 1 . . . . 82 LEU HA . 15276 1 930 . 1 1 81 81 LEU HB2 H 1 1.42 0.01 . 1 . . . . 82 LEU HB2 . 15276 1 931 . 1 1 81 81 LEU HB3 H 1 1.42 0.01 . 1 . . . . 82 LEU HB3 . 15276 1 932 . 1 1 81 81 LEU HD11 H 1 0.61 0.01 . 2 . . . . 82 LEU HD1 . 15276 1 933 . 1 1 81 81 LEU HD12 H 1 0.61 0.01 . 2 . . . . 82 LEU HD1 . 15276 1 934 . 1 1 81 81 LEU HD13 H 1 0.61 0.01 . 2 . . . . 82 LEU HD1 . 15276 1 935 . 1 1 81 81 LEU HD21 H 1 0.72 0.01 . 2 . . . . 82 LEU HD2 . 15276 1 936 . 1 1 81 81 LEU HD22 H 1 0.72 0.01 . 2 . . . . 82 LEU HD2 . 15276 1 937 . 1 1 81 81 LEU HD23 H 1 0.72 0.01 . 2 . . . . 82 LEU HD2 . 15276 1 938 . 1 1 81 81 LEU HG H 1 1.39 0.01 . 1 . . . . 82 LEU HG . 15276 1 939 . 1 1 81 81 LEU C C 13 176.8 0.1 . 1 . . . . 82 LEU C . 15276 1 940 . 1 1 81 81 LEU CA C 13 56.6 0.1 . 1 . . . . 82 LEU CA . 15276 1 941 . 1 1 81 81 LEU CB C 13 44.0 0.1 . 1 . . . . 82 LEU CB . 15276 1 942 . 1 1 81 81 LEU CD1 C 13 26.5 0.1 . 2 . . . . 82 LEU CD1 . 15276 1 943 . 1 1 81 81 LEU CD2 C 13 25.8 0.1 . 2 . . . . 82 LEU CD2 . 15276 1 944 . 1 1 81 81 LEU CG C 13 26.7 0.1 . 1 . . . . 82 LEU CG . 15276 1 945 . 1 1 81 81 LEU N N 15 117.1 0.1 . 1 . . . . 82 LEU N . 15276 1 946 . 1 1 82 82 LYS H H 1 9.06 0.01 . 1 . . . . 83 LYS H . 15276 1 947 . 1 1 82 82 LYS HA H 1 4.85 0.01 . 1 . . . . 83 LYS HA . 15276 1 948 . 1 1 82 82 LYS HB2 H 1 2.14 0.01 . 2 . . . . 83 LYS HB2 . 15276 1 949 . 1 1 82 82 LYS HB3 H 1 1.54 0.01 . 2 . . . . 83 LYS HB3 . 15276 1 950 . 1 1 82 82 LYS HD2 H 1 1.64 0.01 . 1 . . . . 83 LYS HD2 . 15276 1 951 . 1 1 82 82 LYS HD3 H 1 1.64 0.01 . 1 . . . . 83 LYS HD3 . 15276 1 952 . 1 1 82 82 LYS HE2 H 1 2.98 0.01 . 1 . . . . 83 LYS HE2 . 15276 1 953 . 1 1 82 82 LYS HE3 H 1 2.98 0.01 . 1 . . . . 83 LYS HE3 . 15276 1 954 . 1 1 82 82 LYS HG2 H 1 1.62 0.01 . 2 . . . . 83 LYS HG2 . 15276 1 955 . 1 1 82 82 LYS HG3 H 1 1.39 0.01 . 2 . . . . 83 LYS HG3 . 15276 1 956 . 1 1 82 82 LYS C C 13 177.7 0.1 . 1 . . . . 83 LYS C . 15276 1 957 . 1 1 82 82 LYS CA C 13 54.1 0.1 . 1 . . . . 83 LYS CA . 15276 1 958 . 1 1 82 82 LYS CB C 13 36.5 0.1 . 1 . . . . 83 LYS CB . 15276 1 959 . 1 1 82 82 LYS CD C 13 29.2 0.1 . 1 . . . . 83 LYS CD . 15276 1 960 . 1 1 82 82 LYS CE C 13 42.4 0.1 . 1 . . . . 83 LYS CE . 15276 1 961 . 1 1 82 82 LYS CG C 13 24.8 0.1 . 1 . . . . 83 LYS CG . 15276 1 962 . 1 1 82 82 LYS N N 15 125.2 0.1 . 1 . . . . 83 LYS N . 15276 1 963 . 1 1 83 83 THR H H 1 8.83 0.01 . 1 . . . . 84 THR H . 15276 1 964 . 1 1 83 83 THR HA H 1 3.78 0.01 . 1 . . . . 84 THR HA . 15276 1 965 . 1 1 83 83 THR HB H 1 4.17 0.01 . 1 . . . . 84 THR HB . 15276 1 966 . 1 1 83 83 THR HG21 H 1 1.30 0.01 . 1 . . . . 84 THR HG2 . 15276 1 967 . 1 1 83 83 THR HG22 H 1 1.30 0.01 . 1 . . . . 84 THR HG2 . 15276 1 968 . 1 1 83 83 THR HG23 H 1 1.30 0.01 . 1 . . . . 84 THR HG2 . 15276 1 969 . 1 1 83 83 THR C C 13 177.3 0.1 . 1 . . . . 84 THR C . 15276 1 970 . 1 1 83 83 THR CA C 13 67.0 0.1 . 1 . . . . 84 THR CA . 15276 1 971 . 1 1 83 83 THR CB C 13 68.2 0.1 . 1 . . . . 84 THR CB . 15276 1 972 . 1 1 83 83 THR CG2 C 13 22.1 0.1 . 1 . . . . 84 THR CG2 . 15276 1 973 . 1 1 83 83 THR N N 15 116.4 0.1 . 1 . . . . 84 THR N . 15276 1 974 . 1 1 84 84 GLU H H 1 8.79 0.01 . 1 . . . . 85 GLU H . 15276 1 975 . 1 1 84 84 GLU HA H 1 4.32 0.01 . 1 . . . . 85 GLU HA . 15276 1 976 . 1 1 84 84 GLU HB2 H 1 2.11 0.01 . 2 . . . . 85 GLU HB2 . 15276 1 977 . 1 1 84 84 GLU HB3 H 1 2.06 0.01 . 2 . . . . 85 GLU HB3 . 15276 1 978 . 1 1 84 84 GLU HG2 H 1 2.17 0.01 . 1 . . . . 85 GLU HG2 . 15276 1 979 . 1 1 84 84 GLU HG3 H 1 2.17 0.01 . 1 . . . . 85 GLU HG3 . 15276 1 980 . 1 1 84 84 GLU C C 13 175.5 0.1 . 1 . . . . 85 GLU C . 15276 1 981 . 1 1 84 84 GLU CA C 13 58.4 0.1 . 1 . . . . 85 GLU CA . 15276 1 982 . 1 1 84 84 GLU CB C 13 28.6 0.1 . 1 . . . . 85 GLU CB . 15276 1 983 . 1 1 84 84 GLU CG C 13 35.9 0.1 . 1 . . . . 85 GLU CG . 15276 1 984 . 1 1 84 84 GLU N N 15 118.3 0.1 . 1 . . . . 85 GLU N . 15276 1 985 . 1 1 85 85 ASP H H 1 8.11 0.01 . 1 . . . . 86 ASP H . 15276 1 986 . 1 1 85 85 ASP HA H 1 4.57 0.01 . 1 . . . . 86 ASP HA . 15276 1 987 . 1 1 85 85 ASP HB2 H 1 2.89 0.01 . 2 . . . . 86 ASP HB2 . 15276 1 988 . 1 1 85 85 ASP HB3 H 1 2.67 0.01 . 2 . . . . 86 ASP HB3 . 15276 1 989 . 1 1 85 85 ASP C C 13 177.6 0.1 . 1 . . . . 86 ASP C . 15276 1 990 . 1 1 85 85 ASP CA C 13 55.0 0.1 . 1 . . . . 86 ASP CA . 15276 1 991 . 1 1 85 85 ASP CB C 13 40.7 0.1 . 1 . . . . 86 ASP CB . 15276 1 992 . 1 1 85 85 ASP N N 15 119.8 0.1 . 1 . . . . 86 ASP N . 15276 1 993 . 1 1 86 86 GLU H H 1 7.58 0.01 . 1 . . . . 87 GLU H . 15276 1 994 . 1 1 86 86 GLU HA H 1 4.14 0.01 . 1 . . . . 87 GLU HA . 15276 1 995 . 1 1 86 86 GLU HB2 H 1 2.19 0.01 . 1 . . . . 87 GLU HB2 . 15276 1 996 . 1 1 86 86 GLU HB3 H 1 2.19 0.01 . 1 . . . . 87 GLU HB3 . 15276 1 997 . 1 1 86 86 GLU HG2 H 1 3.07 0.01 . 2 . . . . 87 GLU HG2 . 15276 1 998 . 1 1 86 86 GLU HG3 H 1 2.19 0.01 . 2 . . . . 87 GLU HG3 . 15276 1 999 . 1 1 86 86 GLU C C 13 175.0 0.1 . 1 . . . . 87 GLU C . 15276 1 1000 . 1 1 86 86 GLU CA C 13 59.1 0.1 . 1 . . . . 87 GLU CA . 15276 1 1001 . 1 1 86 86 GLU CB C 13 29.7 0.1 . 1 . . . . 87 GLU CB . 15276 1 1002 . 1 1 86 86 GLU CG C 13 36.2 0.1 . 1 . . . . 87 GLU CG . 15276 1 1003 . 1 1 86 86 GLU N N 15 121.7 0.1 . 1 . . . . 87 GLU N . 15276 1 1004 . 1 1 87 87 ALA H H 1 8.07 0.01 . 1 . . . . 88 ALA H . 15276 1 1005 . 1 1 87 87 ALA HA H 1 4.38 0.01 . 1 . . . . 88 ALA HA . 15276 1 1006 . 1 1 87 87 ALA HB1 H 1 1.03 0.01 . 1 . . . . 88 ALA HB . 15276 1 1007 . 1 1 87 87 ALA HB2 H 1 1.03 0.01 . 1 . . . . 88 ALA HB . 15276 1 1008 . 1 1 87 87 ALA HB3 H 1 1.03 0.01 . 1 . . . . 88 ALA HB . 15276 1 1009 . 1 1 87 87 ALA C C 13 174.6 0.1 . 1 . . . . 88 ALA C . 15276 1 1010 . 1 1 87 87 ALA CA C 13 51.8 0.1 . 1 . . . . 88 ALA CA . 15276 1 1011 . 1 1 87 87 ALA CB C 13 20.2 0.1 . 1 . . . . 88 ALA CB . 15276 1 1012 . 1 1 87 87 ALA N N 15 126.3 0.1 . 1 . . . . 88 ALA N . 15276 1 1013 . 1 1 88 88 ASP H H 1 7.70 0.01 . 1 . . . . 89 ASP H . 15276 1 1014 . 1 1 88 88 ASP HA H 1 5.54 0.01 . 1 . . . . 89 ASP HA . 15276 1 1015 . 1 1 88 88 ASP HB2 H 1 2.54 0.01 . 2 . . . . 89 ASP HB2 . 15276 1 1016 . 1 1 88 88 ASP HB3 H 1 2.17 0.01 . 2 . . . . 89 ASP HB3 . 15276 1 1017 . 1 1 88 88 ASP C C 13 175.3 0.1 . 1 . . . . 89 ASP C . 15276 1 1018 . 1 1 88 88 ASP CA C 13 53.7 0.1 . 1 . . . . 89 ASP CA . 15276 1 1019 . 1 1 88 88 ASP CB C 13 42.9 0.1 . 1 . . . . 89 ASP CB . 15276 1 1020 . 1 1 88 88 ASP N N 15 117.5 0.1 . 1 . . . . 89 ASP N . 15276 1 1021 . 1 1 89 89 TYR H H 1 9.01 0.01 . 1 . . . . 90 TYR H . 15276 1 1022 . 1 1 89 89 TYR HA H 1 5.70 0.01 . 1 . . . . 90 TYR HA . 15276 1 1023 . 1 1 89 89 TYR HB2 H 1 2.84 0.01 . 2 . . . . 90 TYR HB2 . 15276 1 1024 . 1 1 89 89 TYR HB3 H 1 2.73 0.01 . 2 . . . . 90 TYR HB3 . 15276 1 1025 . 1 1 89 89 TYR HD1 H 1 6.95 0.01 . 1 . . . . 90 TYR HD1 . 15276 1 1026 . 1 1 89 89 TYR HD2 H 1 6.95 0.01 . 1 . . . . 90 TYR HD2 . 15276 1 1027 . 1 1 89 89 TYR HE1 H 1 6.85 0.01 . 1 . . . . 90 TYR HE1 . 15276 1 1028 . 1 1 89 89 TYR HE2 H 1 6.85 0.01 . 1 . . . . 90 TYR HE2 . 15276 1 1029 . 1 1 89 89 TYR C C 13 176.8 0.1 . 1 . . . . 90 TYR C . 15276 1 1030 . 1 1 89 89 TYR CA C 13 56.8 0.1 . 1 . . . . 90 TYR CA . 15276 1 1031 . 1 1 89 89 TYR CB C 13 42.3 0.1 . 1 . . . . 90 TYR CB . 15276 1 1032 . 1 1 89 89 TYR CD1 C 13 133.0 0.1 . 1 . . . . 90 TYR CD1 . 15276 1 1033 . 1 1 89 89 TYR CD2 C 13 133.0 0.1 . 1 . . . . 90 TYR CD2 . 15276 1 1034 . 1 1 89 89 TYR CE1 C 13 118.5 0.1 . 1 . . . . 90 TYR CE1 . 15276 1 1035 . 1 1 89 89 TYR CE2 C 13 118.5 0.1 . 1 . . . . 90 TYR CE2 . 15276 1 1036 . 1 1 89 89 TYR N N 15 118.6 0.1 . 1 . . . . 90 TYR N . 15276 1 1037 . 1 1 90 90 TYR H H 1 9.38 0.01 . 1 . . . . 91 TYR H . 15276 1 1038 . 1 1 90 90 TYR HA H 1 5.27 0.01 . 1 . . . . 91 TYR HA . 15276 1 1039 . 1 1 90 90 TYR HB2 H 1 3.04 0.01 . 2 . . . . 91 TYR HB2 . 15276 1 1040 . 1 1 90 90 TYR HB3 H 1 2.72 0.01 . 2 . . . . 91 TYR HB3 . 15276 1 1041 . 1 1 90 90 TYR HD1 H 1 6.88 0.01 . 1 . . . . 91 TYR HD1 . 15276 1 1042 . 1 1 90 90 TYR HD2 H 1 6.88 0.01 . 1 . . . . 91 TYR HD2 . 15276 1 1043 . 1 1 90 90 TYR HE1 H 1 6.64 0.01 . 1 . . . . 91 TYR HE1 . 15276 1 1044 . 1 1 90 90 TYR HE2 H 1 6.64 0.01 . 1 . . . . 91 TYR HE2 . 15276 1 1045 . 1 1 90 90 TYR C C 13 174.9 0.1 . 1 . . . . 91 TYR C . 15276 1 1046 . 1 1 90 90 TYR CA C 13 57.3 0.1 . 1 . . . . 91 TYR CA . 15276 1 1047 . 1 1 90 90 TYR CB C 13 42.8 0.1 . 1 . . . . 91 TYR CB . 15276 1 1048 . 1 1 90 90 TYR CD1 C 13 132.9 0.1 . 1 . . . . 91 TYR CD1 . 15276 1 1049 . 1 1 90 90 TYR CD2 C 13 132.9 0.1 . 1 . . . . 91 TYR CD2 . 15276 1 1050 . 1 1 90 90 TYR CE1 C 13 118.6 0.1 . 1 . . . . 91 TYR CE1 . 15276 1 1051 . 1 1 90 90 TYR CE2 C 13 118.6 0.1 . 1 . . . . 91 TYR CE2 . 15276 1 1052 . 1 1 90 90 TYR N N 15 121.1 0.1 . 1 . . . . 91 TYR N . 15276 1 1053 . 1 1 91 91 CYS H H 1 7.62 0.01 . 1 . . . . 92 CYS H . 15276 1 1054 . 1 1 91 91 CYS HA H 1 4.99 0.01 . 1 . . . . 92 CYS HA . 15276 1 1055 . 1 1 91 91 CYS HB2 H 1 1.84 0.01 . 2 . . . . 92 CYS HB2 . 15276 1 1056 . 1 1 91 91 CYS HB3 H 1 1.02 0.01 . 2 . . . . 92 CYS HB3 . 15276 1 1057 . 1 1 91 91 CYS C C 13 173.3 0.1 . 1 . . . . 92 CYS C . 15276 1 1058 . 1 1 91 91 CYS CA C 13 53.2 0.1 . 1 . . . . 92 CYS CA . 15276 1 1059 . 1 1 91 91 CYS CB C 13 45.2 0.1 . 1 . . . . 92 CYS CB . 15276 1 1060 . 1 1 91 91 CYS N N 15 117.2 0.1 . 1 . . . . 92 CYS N . 15276 1 1061 . 1 1 92 92 GLN H H 1 8.58 0.01 . 1 . . . . 93 GLN H . 15276 1 1062 . 1 1 92 92 GLN HA H 1 4.81 0.01 . 1 . . . . 93 GLN HA . 15276 1 1063 . 1 1 92 92 GLN HB2 H 1 1.28 0.01 . 1 . . . . 93 GLN HB2 . 15276 1 1064 . 1 1 92 92 GLN HB3 H 1 1.28 0.01 . 1 . . . . 93 GLN HB3 . 15276 1 1065 . 1 1 92 92 GLN HG2 H 1 1.65 0.01 . 1 . . . . 93 GLN HG2 . 15276 1 1066 . 1 1 92 92 GLN HG3 H 1 1.65 0.01 . 1 . . . . 93 GLN HG3 . 15276 1 1067 . 1 1 92 92 GLN C C 13 173.8 0.1 . 1 . . . . 93 GLN C . 15276 1 1068 . 1 1 92 92 GLN CA C 13 54.5 0.1 . 1 . . . . 93 GLN CA . 15276 1 1069 . 1 1 92 92 GLN CB C 13 32.2 0.1 . 1 . . . . 93 GLN CB . 15276 1 1070 . 1 1 92 92 GLN CG C 13 32.4 0.1 . 1 . . . . 93 GLN CG . 15276 1 1071 . 1 1 92 92 GLN N N 15 121.5 0.1 . 1 . . . . 93 GLN N . 15276 1 1072 . 1 1 93 93 SER H H 1 8.71 0.01 . 1 . . . . 94 SER H . 15276 1 1073 . 1 1 93 93 SER HA H 1 4.36 0.01 . 1 . . . . 94 SER HA . 15276 1 1074 . 1 1 93 93 SER HB2 H 1 3.86 0.01 . 2 . . . . 94 SER HB2 . 15276 1 1075 . 1 1 93 93 SER HB3 H 1 3.43 0.01 . 2 . . . . 94 SER HB3 . 15276 1 1076 . 1 1 93 93 SER C C 13 173.8 0.1 . 1 . . . . 94 SER C . 15276 1 1077 . 1 1 93 93 SER CA C 13 55.8 0.1 . 1 . . . . 94 SER CA . 15276 1 1078 . 1 1 93 93 SER CB C 13 64.6 0.1 . 1 . . . . 94 SER CB . 15276 1 1079 . 1 1 93 93 SER N N 15 120.0 0.1 . 1 . . . . 94 SER N . 15276 1 1080 . 1 1 94 94 TYR H H 1 8.58 0.01 . 1 . . . . 95 TYR H . 15276 1 1081 . 1 1 94 94 TYR HA H 1 5.56 0.01 . 1 . . . . 95 TYR HA . 15276 1 1082 . 1 1 94 94 TYR HB2 H 1 2.90 0.01 . 2 . . . . 95 TYR HB2 . 15276 1 1083 . 1 1 94 94 TYR HB3 H 1 2.39 0.01 . 2 . . . . 95 TYR HB3 . 15276 1 1084 . 1 1 94 94 TYR HD1 H 1 6.82 0.01 . 1 . . . . 95 TYR HD1 . 15276 1 1085 . 1 1 94 94 TYR HD2 H 1 6.82 0.01 . 1 . . . . 95 TYR HD2 . 15276 1 1086 . 1 1 94 94 TYR HE1 H 1 6.88 0.01 . 1 . . . . 95 TYR HE1 . 15276 1 1087 . 1 1 94 94 TYR HE2 H 1 6.88 0.01 . 1 . . . . 95 TYR HE2 . 15276 1 1088 . 1 1 94 94 TYR C C 13 174.1 0.1 . 1 . . . . 95 TYR C . 15276 1 1089 . 1 1 94 94 TYR CA C 13 56.1 0.1 . 1 . . . . 95 TYR CA . 15276 1 1090 . 1 1 94 94 TYR CB C 13 43.4 0.1 . 1 . . . . 95 TYR CB . 15276 1 1091 . 1 1 94 94 TYR CD1 C 13 133.4 0.1 . 1 . . . . 95 TYR CD1 . 15276 1 1092 . 1 1 94 94 TYR CD2 C 13 133.4 0.1 . 1 . . . . 95 TYR CD2 . 15276 1 1093 . 1 1 94 94 TYR CE1 C 13 118.6 0.1 . 1 . . . . 95 TYR CE1 . 15276 1 1094 . 1 1 94 94 TYR CE2 C 13 118.6 0.1 . 1 . . . . 95 TYR CE2 . 15276 1 1095 . 1 1 94 94 TYR N N 15 122.3 0.1 . 1 . . . . 95 TYR N . 15276 1 1096 . 1 1 95 95 ASP H H 1 8.65 0.01 . 1 . . . . 96 ASP H . 15276 1 1097 . 1 1 95 95 ASP HA H 1 4.58 0.01 . 1 . . . . 96 ASP HA . 15276 1 1098 . 1 1 95 95 ASP HB2 H 1 3.63 0.01 . 2 . . . . 96 ASP HB2 . 15276 1 1099 . 1 1 95 95 ASP HB3 H 1 2.74 0.01 . 2 . . . . 96 ASP HB3 . 15276 1 1100 . 1 1 95 95 ASP C C 13 177.8 0.1 . 1 . . . . 96 ASP C . 15276 1 1101 . 1 1 95 95 ASP CA C 13 51.9 0.1 . 1 . . . . 96 ASP CA . 15276 1 1102 . 1 1 95 95 ASP CB C 13 41.9 0.1 . 1 . . . . 96 ASP CB . 15276 1 1103 . 1 1 95 95 ASP N N 15 119.1 0.1 . 1 . . . . 96 ASP N . 15276 1 1104 . 1 1 96 96 SER H H 1 8.45 0.01 . 1 . . . . 97 SER H . 15276 1 1105 . 1 1 96 96 SER HA H 1 4.25 0.01 . 1 . . . . 97 SER HA . 15276 1 1106 . 1 1 96 96 SER HB2 H 1 3.88 0.01 . 1 . . . . 97 SER HB2 . 15276 1 1107 . 1 1 96 96 SER HB3 H 1 3.88 0.01 . 1 . . . . 97 SER HB3 . 15276 1 1108 . 1 1 96 96 SER C C 13 175.4 0.1 . 1 . . . . 97 SER C . 15276 1 1109 . 1 1 96 96 SER CA C 13 60.8 0.1 . 1 . . . . 97 SER CA . 15276 1 1110 . 1 1 96 96 SER CB C 13 62.9 0.1 . 1 . . . . 97 SER CB . 15276 1 1111 . 1 1 96 96 SER N N 15 112.6 0.1 . 1 . . . . 97 SER N . 15276 1 1112 . 1 1 97 97 SER H H 1 8.18 0.01 . 1 . . . . 98 SER H . 15276 1 1113 . 1 1 97 97 SER HA H 1 4.54 0.01 . 1 . . . . 98 SER HA . 15276 1 1114 . 1 1 97 97 SER HB2 H 1 3.69 0.01 . 2 . . . . 98 SER HB2 . 15276 1 1115 . 1 1 97 97 SER HB3 H 1 3.58 0.01 . 2 . . . . 98 SER HB3 . 15276 1 1116 . 1 1 97 97 SER C C 13 173.0 0.1 . 1 . . . . 98 SER C . 15276 1 1117 . 1 1 97 97 SER CA C 13 57.6 0.1 . 1 . . . . 98 SER CA . 15276 1 1118 . 1 1 97 97 SER CB C 13 63.2 0.1 . 1 . . . . 98 SER CB . 15276 1 1119 . 1 1 97 97 SER N N 15 118.1 0.1 . 1 . . . . 98 SER N . 15276 1 1120 . 1 1 98 98 ASN H H 1 8.26 0.01 . 1 . . . . 99 ASN H . 15276 1 1121 . 1 1 98 98 ASN HA H 1 4.20 0.01 . 1 . . . . 99 ASN HA . 15276 1 1122 . 1 1 98 98 ASN HB2 H 1 3.01 0.01 . 2 . . . . 99 ASN HB2 . 15276 1 1123 . 1 1 98 98 ASN HB3 H 1 2.67 0.01 . 2 . . . . 99 ASN HB3 . 15276 1 1124 . 1 1 98 98 ASN HD21 H 1 7.36 0.01 . 2 . . . . 99 ASN HD21 . 15276 1 1125 . 1 1 98 98 ASN HD22 H 1 6.56 0.01 . 2 . . . . 99 ASN HD22 . 15276 1 1126 . 1 1 98 98 ASN C C 13 174.3 0.1 . 1 . . . . 99 ASN C . 15276 1 1127 . 1 1 98 98 ASN CA C 13 55.0 0.1 . 1 . . . . 99 ASN CA . 15276 1 1128 . 1 1 98 98 ASN CB C 13 37.3 0.1 . 1 . . . . 99 ASN CB . 15276 1 1129 . 1 1 98 98 ASN N N 15 114.8 0.1 . 1 . . . . 99 ASN N . 15276 1 1130 . 1 1 98 98 ASN ND2 N 15 111.4 0.1 . 1 . . . . 99 ASN ND2 . 15276 1 1131 . 1 1 99 99 HIS H H 1 8.51 0.01 . 1 . . . . 100 HIS H . 15276 1 1132 . 1 1 99 99 HIS HA H 1 5.01 0.01 . 1 . . . . 100 HIS HA . 15276 1 1133 . 1 1 99 99 HIS HB2 H 1 3.32 0.01 . 2 . . . . 100 HIS HB2 . 15276 1 1134 . 1 1 99 99 HIS HB3 H 1 3.15 0.01 . 2 . . . . 100 HIS HB3 . 15276 1 1135 . 1 1 99 99 HIS HD2 H 1 7.20 0.01 . 1 . . . . 100 HIS HD2 . 15276 1 1136 . 1 1 99 99 HIS HE1 H 1 8.53 0.01 . 1 . . . . 100 HIS HE1 . 15276 1 1137 . 1 1 99 99 HIS C C 13 175.1 0.1 . 1 . . . . 100 HIS C . 15276 1 1138 . 1 1 99 99 HIS CA C 13 54.6 0.1 . 1 . . . . 100 HIS CA . 15276 1 1139 . 1 1 99 99 HIS CB C 13 28.7 0.1 . 1 . . . . 100 HIS CB . 15276 1 1140 . 1 1 99 99 HIS CD2 C 13 119.1 0.1 . 1 . . . . 100 HIS CD2 . 15276 1 1141 . 1 1 99 99 HIS CE1 C 13 135.4 0.1 . 1 . . . . 100 HIS CE1 . 15276 1 1142 . 1 1 99 99 HIS N N 15 117.0 0.1 . 1 . . . . 100 HIS N . 15276 1 1143 . 1 1 100 100 VAL H H 1 8.87 0.01 . 1 . . . . 101 VAL H . 15276 1 1144 . 1 1 100 100 VAL HA H 1 3.70 0.01 . 1 . . . . 101 VAL HA . 15276 1 1145 . 1 1 100 100 VAL HB H 1 1.92 0.01 . 1 . . . . 101 VAL HB . 15276 1 1146 . 1 1 100 100 VAL HG11 H 1 0.94 0.01 . 2 . . . . 101 VAL HG1 . 15276 1 1147 . 1 1 100 100 VAL HG12 H 1 0.94 0.01 . 2 . . . . 101 VAL HG1 . 15276 1 1148 . 1 1 100 100 VAL HG13 H 1 0.94 0.01 . 2 . . . . 101 VAL HG1 . 15276 1 1149 . 1 1 100 100 VAL HG21 H 1 0.61 0.01 . 2 . . . . 101 VAL HG2 . 15276 1 1150 . 1 1 100 100 VAL HG22 H 1 0.61 0.01 . 2 . . . . 101 VAL HG2 . 15276 1 1151 . 1 1 100 100 VAL HG23 H 1 0.61 0.01 . 2 . . . . 101 VAL HG2 . 15276 1 1152 . 1 1 100 100 VAL C C 13 175.9 0.1 . 1 . . . . 101 VAL C . 15276 1 1153 . 1 1 100 100 VAL CA C 13 64.0 0.1 . 1 . . . . 101 VAL CA . 15276 1 1154 . 1 1 100 100 VAL CB C 13 32.5 0.1 . 1 . . . . 101 VAL CB . 15276 1 1155 . 1 1 100 100 VAL CG1 C 13 22.4 0.1 . 2 . . . . 101 VAL CG1 . 15276 1 1156 . 1 1 100 100 VAL CG2 C 13 21.8 0.1 . 2 . . . . 101 VAL CG2 . 15276 1 1157 . 1 1 100 100 VAL N N 15 124.1 0.1 . 1 . . . . 101 VAL N . 15276 1 1158 . 1 1 101 101 VAL H H 1 8.06 0.01 . 1 . . . . 102 VAL H . 15276 1 1159 . 1 1 101 101 VAL HA H 1 4.36 0.01 . 1 . . . . 102 VAL HA . 15276 1 1160 . 1 1 101 101 VAL HB H 1 1.61 0.01 . 1 . . . . 102 VAL HB . 15276 1 1161 . 1 1 101 101 VAL HG11 H 1 0.77 0.01 . 2 . . . . 102 VAL HG1 . 15276 1 1162 . 1 1 101 101 VAL HG12 H 1 0.77 0.01 . 2 . . . . 102 VAL HG1 . 15276 1 1163 . 1 1 101 101 VAL HG13 H 1 0.77 0.01 . 2 . . . . 102 VAL HG1 . 15276 1 1164 . 1 1 101 101 VAL HG21 H 1 0.87 0.01 . 2 . . . . 102 VAL HG2 . 15276 1 1165 . 1 1 101 101 VAL HG22 H 1 0.87 0.01 . 2 . . . . 102 VAL HG2 . 15276 1 1166 . 1 1 101 101 VAL HG23 H 1 0.87 0.01 . 2 . . . . 102 VAL HG2 . 15276 1 1167 . 1 1 101 101 VAL C C 13 173.8 0.1 . 1 . . . . 102 VAL C . 15276 1 1168 . 1 1 101 101 VAL CA C 13 60.8 0.1 . 1 . . . . 102 VAL CA . 15276 1 1169 . 1 1 101 101 VAL CB C 13 35.5 0.1 . 1 . . . . 102 VAL CB . 15276 1 1170 . 1 1 101 101 VAL CG1 C 13 21.5 0.1 . 2 . . . . 102 VAL CG1 . 15276 1 1171 . 1 1 101 101 VAL CG2 C 13 21.3 0.1 . 2 . . . . 102 VAL CG2 . 15276 1 1172 . 1 1 101 101 VAL N N 15 125.9 0.1 . 1 . . . . 102 VAL N . 15276 1 1173 . 1 1 102 102 PHE H H 1 6.32 0.01 . 9 . . . . 103 PHE H . 15276 1 1174 . 1 1 102 102 PHE HA H 1 5.00 0.01 . 1 . . . . 103 PHE HA . 15276 1 1175 . 1 1 102 102 PHE HB2 H 1 3.43 0.01 . 2 . . . . 103 PHE HB2 . 15276 1 1176 . 1 1 102 102 PHE HB3 H 1 2.82 0.01 . 2 . . . . 103 PHE HB3 . 15276 1 1177 . 1 1 102 102 PHE HD1 H 1 6.86 0.01 . 1 . . . . 103 PHE HD1 . 15276 1 1178 . 1 1 102 102 PHE HD2 H 1 6.86 0.01 . 1 . . . . 103 PHE HD2 . 15276 1 1179 . 1 1 102 102 PHE HE1 H 1 6.76 0.01 . 1 . . . . 103 PHE HE1 . 15276 1 1180 . 1 1 102 102 PHE HE2 H 1 6.76 0.01 . 1 . . . . 103 PHE HE2 . 15276 1 1181 . 1 1 102 102 PHE C C 13 178.7 0.1 . 1 . . . . 103 PHE C . 15276 1 1182 . 1 1 102 102 PHE CA C 13 57.6 0.1 . 1 . . . . 103 PHE CA . 15276 1 1183 . 1 1 102 102 PHE CB C 13 42.9 0.1 . 1 . . . . 103 PHE CB . 15276 1 1184 . 1 1 102 102 PHE CD1 C 13 133.1 0.1 . 1 . . . . 103 PHE CD1 . 15276 1 1185 . 1 1 102 102 PHE CD2 C 13 133.1 0.1 . 1 . . . . 103 PHE CD2 . 15276 1 1186 . 1 1 102 102 PHE CE1 C 13 132.8 0.1 . 1 . . . . 103 PHE CE1 . 15276 1 1187 . 1 1 102 102 PHE CE2 C 13 132.8 0.1 . 1 . . . . 103 PHE CE2 . 15276 1 1188 . 1 1 102 102 PHE N N 15 107.3 0.1 . 9 . . . . 103 PHE N . 15276 1 1189 . 1 1 103 103 GLY H H 1 8.94 0.01 . 1 . . . . 104 GLY H . 15276 1 1190 . 1 1 103 103 GLY HA2 H 1 4.49 0.01 . 2 . . . . 104 GLY HA2 . 15276 1 1191 . 1 1 103 103 GLY HA3 H 1 4.21 0.01 . 2 . . . . 104 GLY HA3 . 15276 1 1192 . 1 1 103 103 GLY C C 13 174.5 0.1 . 1 . . . . 104 GLY C . 15276 1 1193 . 1 1 103 103 GLY CA C 13 44.7 0.1 . 1 . . . . 104 GLY CA . 15276 1 1194 . 1 1 103 103 GLY N N 15 109.6 0.1 . 1 . . . . 104 GLY N . 15276 1 1195 . 1 1 104 104 GLY H H 1 7.71 0.01 . 1 . . . . 105 GLY H . 15276 1 1196 . 1 1 104 104 GLY HA2 H 1 4.18 0.01 . 2 . . . . 105 GLY HA2 . 15276 1 1197 . 1 1 104 104 GLY HA3 H 1 4.01 0.01 . 2 . . . . 105 GLY HA3 . 15276 1 1198 . 1 1 104 104 GLY C C 13 175.1 0.1 . 1 . . . . 105 GLY C . 15276 1 1199 . 1 1 104 104 GLY CA C 13 46.4 0.1 . 1 . . . . 105 GLY CA . 15276 1 1200 . 1 1 104 104 GLY N N 15 102.8 0.1 . 1 . . . . 105 GLY N . 15276 1 1201 . 1 1 105 105 GLY H H 1 7.05 0.01 . 1 . . . . 106 GLY H . 15276 1 1202 . 1 1 105 105 GLY HA2 H 1 3.89 0.01 . 2 . . . . 106 GLY HA2 . 15276 1 1203 . 1 1 105 105 GLY HA3 H 1 3.14 0.01 . 2 . . . . 106 GLY HA3 . 15276 1 1204 . 1 1 105 105 GLY C C 13 172.5 0.1 . 1 . . . . 106 GLY C . 15276 1 1205 . 1 1 105 105 GLY CA C 13 45.4 0.1 . 1 . . . . 106 GLY CA . 15276 1 1206 . 1 1 105 105 GLY N N 15 106.5 0.1 . 1 . . . . 106 GLY N . 15276 1 1207 . 1 1 106 106 THR H H 1 8.28 0.01 . 1 . . . . 107 THR H . 15276 1 1208 . 1 1 106 106 THR HA H 1 4.70 0.01 . 1 . . . . 107 THR HA . 15276 1 1209 . 1 1 106 106 THR HB H 1 3.68 0.01 . 1 . . . . 107 THR HB . 15276 1 1210 . 1 1 106 106 THR HG21 H 1 1.01 0.01 . 1 . . . . 107 THR HG2 . 15276 1 1211 . 1 1 106 106 THR HG22 H 1 1.01 0.01 . 1 . . . . 107 THR HG2 . 15276 1 1212 . 1 1 106 106 THR HG23 H 1 1.01 0.01 . 1 . . . . 107 THR HG2 . 15276 1 1213 . 1 1 106 106 THR C C 13 173.6 0.1 . 1 . . . . 107 THR C . 15276 1 1214 . 1 1 106 106 THR CA C 13 61.1 0.1 . 1 . . . . 107 THR CA . 15276 1 1215 . 1 1 106 106 THR CB C 13 72.8 0.1 . 1 . . . . 107 THR CB . 15276 1 1216 . 1 1 106 106 THR CG2 C 13 22.9 0.1 . 1 . . . . 107 THR CG2 . 15276 1 1217 . 1 1 106 106 THR N N 15 119.9 0.1 . 1 . . . . 107 THR N . 15276 1 1218 . 1 1 107 107 LYS H H 1 8.26 0.01 . 1 . . . . 108 LYS H . 15276 1 1219 . 1 1 107 107 LYS HA H 1 4.79 0.01 . 1 . . . . 108 LYS HA . 15276 1 1220 . 1 1 107 107 LYS HB2 H 1 1.77 0.01 . 1 . . . . 108 LYS HB2 . 15276 1 1221 . 1 1 107 107 LYS HB3 H 1 1.77 0.01 . 1 . . . . 108 LYS HB3 . 15276 1 1222 . 1 1 107 107 LYS HD2 H 1 1.66 0.01 . 1 . . . . 108 LYS HD2 . 15276 1 1223 . 1 1 107 107 LYS HD3 H 1 1.66 0.01 . 1 . . . . 108 LYS HD3 . 15276 1 1224 . 1 1 107 107 LYS HE2 H 1 2.94 0.01 . 1 . . . . 108 LYS HE2 . 15276 1 1225 . 1 1 107 107 LYS HE3 H 1 2.94 0.01 . 1 . . . . 108 LYS HE3 . 15276 1 1226 . 1 1 107 107 LYS HG2 H 1 1.29 0.01 . 1 . . . . 108 LYS HG2 . 15276 1 1227 . 1 1 107 107 LYS HG3 H 1 1.29 0.01 . 1 . . . . 108 LYS HG3 . 15276 1 1228 . 1 1 107 107 LYS C C 13 174.9 0.1 . 1 . . . . 108 LYS C . 15276 1 1229 . 1 1 107 107 LYS CA C 13 56.4 0.1 . 1 . . . . 108 LYS CA . 15276 1 1230 . 1 1 107 107 LYS CB C 13 32.2 0.1 . 1 . . . . 108 LYS CB . 15276 1 1231 . 1 1 107 107 LYS CD C 13 28.4 0.1 . 1 . . . . 108 LYS CD . 15276 1 1232 . 1 1 107 107 LYS CE C 13 41.8 0.1 . 1 . . . . 108 LYS CE . 15276 1 1233 . 1 1 107 107 LYS CG C 13 24.1 0.1 . 1 . . . . 108 LYS CG . 15276 1 1234 . 1 1 107 107 LYS N N 15 128.9 0.1 . 1 . . . . 108 LYS N . 15276 1 1235 . 1 1 108 108 LEU H H 1 8.95 0.01 . 1 . . . . 109 LEU H . 15276 1 1236 . 1 1 108 108 LEU HA H 1 5.39 0.01 . 1 . . . . 109 LEU HA . 15276 1 1237 . 1 1 108 108 LEU HB2 H 1 2.43 0.01 . 2 . . . . 109 LEU HB2 . 15276 1 1238 . 1 1 108 108 LEU HB3 H 1 1.28 0.01 . 2 . . . . 109 LEU HB3 . 15276 1 1239 . 1 1 108 108 LEU HD11 H 1 0.73 0.01 . 2 . . . . 109 LEU HD1 . 15276 1 1240 . 1 1 108 108 LEU HD12 H 1 0.73 0.01 . 2 . . . . 109 LEU HD1 . 15276 1 1241 . 1 1 108 108 LEU HD13 H 1 0.73 0.01 . 2 . . . . 109 LEU HD1 . 15276 1 1242 . 1 1 108 108 LEU HD21 H 1 0.72 0.01 . 2 . . . . 109 LEU HD2 . 15276 1 1243 . 1 1 108 108 LEU HD22 H 1 0.72 0.01 . 2 . . . . 109 LEU HD2 . 15276 1 1244 . 1 1 108 108 LEU HD23 H 1 0.72 0.01 . 2 . . . . 109 LEU HD2 . 15276 1 1245 . 1 1 108 108 LEU HG H 1 1.38 0.01 . 1 . . . . 109 LEU HG . 15276 1 1246 . 1 1 108 108 LEU C C 13 175.8 0.1 . 1 . . . . 109 LEU C . 15276 1 1247 . 1 1 108 108 LEU CA C 13 54.1 0.1 . 1 . . . . 109 LEU CA . 15276 1 1248 . 1 1 108 108 LEU CB C 13 44.3 0.1 . 1 . . . . 109 LEU CB . 15276 1 1249 . 1 1 108 108 LEU CD1 C 13 26.2 0.1 . 2 . . . . 109 LEU CD1 . 15276 1 1250 . 1 1 108 108 LEU CD2 C 13 25.4 0.1 . 2 . . . . 109 LEU CD2 . 15276 1 1251 . 1 1 108 108 LEU CG C 13 28.5 0.1 . 1 . . . . 109 LEU CG . 15276 1 1252 . 1 1 108 108 LEU N N 15 133.9 0.1 . 1 . . . . 109 LEU N . 15276 1 1253 . 1 1 109 109 THR H H 1 8.67 0.01 . 1 . . . . 110 THR H . 15276 1 1254 . 1 1 109 109 THR HA H 1 4.52 0.01 . 1 . . . . 110 THR HA . 15276 1 1255 . 1 1 109 109 THR HB H 1 3.99 0.01 . 1 . . . . 110 THR HB . 15276 1 1256 . 1 1 109 109 THR HG21 H 1 1.14 0.01 . 1 . . . . 110 THR HG2 . 15276 1 1257 . 1 1 109 109 THR HG22 H 1 1.14 0.01 . 1 . . . . 110 THR HG2 . 15276 1 1258 . 1 1 109 109 THR HG23 H 1 1.14 0.01 . 1 . . . . 110 THR HG2 . 15276 1 1259 . 1 1 109 109 THR C C 13 172.5 0.1 . 1 . . . . 110 THR C . 15276 1 1260 . 1 1 109 109 THR CA C 13 61.6 0.1 . 1 . . . . 110 THR CA . 15276 1 1261 . 1 1 109 109 THR CB C 13 70.9 0.1 . 1 . . . . 110 THR CB . 15276 1 1262 . 1 1 109 109 THR CG2 C 13 21.8 0.1 . 1 . . . . 110 THR CG2 . 15276 1 1263 . 1 1 109 109 THR N N 15 122.9 0.1 . 1 . . . . 110 THR N . 15276 1 1264 . 1 1 110 110 VAL H H 1 8.75 0.01 . 1 . . . . 111 VAL H . 15276 1 1265 . 1 1 110 110 VAL HA H 1 4.85 0.01 . 1 . . . . 111 VAL HA . 15276 1 1266 . 1 1 110 110 VAL HB H 1 1.98 0.01 . 1 . . . . 111 VAL HB . 15276 1 1267 . 1 1 110 110 VAL HG11 H 1 0.71 0.01 . 2 . . . . 111 VAL HG1 . 15276 1 1268 . 1 1 110 110 VAL HG12 H 1 0.71 0.01 . 2 . . . . 111 VAL HG1 . 15276 1 1269 . 1 1 110 110 VAL HG13 H 1 0.71 0.01 . 2 . . . . 111 VAL HG1 . 15276 1 1270 . 1 1 110 110 VAL HG21 H 1 0.79 0.01 . 2 . . . . 111 VAL HG2 . 15276 1 1271 . 1 1 110 110 VAL HG22 H 1 0.79 0.01 . 2 . . . . 111 VAL HG2 . 15276 1 1272 . 1 1 110 110 VAL HG23 H 1 0.79 0.01 . 2 . . . . 111 VAL HG2 . 15276 1 1273 . 1 1 110 110 VAL C C 13 175.4 0.1 . 1 . . . . 111 VAL C . 15276 1 1274 . 1 1 110 110 VAL CA C 13 61.1 0.1 . 1 . . . . 111 VAL CA . 15276 1 1275 . 1 1 110 110 VAL CB C 13 32.0 0.1 . 1 . . . . 111 VAL CB . 15276 1 1276 . 1 1 110 110 VAL CG1 C 13 21.2 0.1 . 2 . . . . 111 VAL CG1 . 15276 1 1277 . 1 1 110 110 VAL CG2 C 13 21.0 0.1 . 2 . . . . 111 VAL CG2 . 15276 1 1278 . 1 1 110 110 VAL N N 15 126.3 0.1 . 1 . . . . 111 VAL N . 15276 1 1279 . 1 1 111 111 LEU H H 1 8.14 0.01 . 1 . . . . 112 LEU H . 15276 1 1280 . 1 1 111 111 LEU HA H 1 4.06 0.01 . 1 . . . . 112 LEU HA . 15276 1 1281 . 1 1 111 111 LEU HB2 H 1 1.48 0.01 . 2 . . . . 112 LEU HB2 . 15276 1 1282 . 1 1 111 111 LEU HB3 H 1 1.38 0.01 . 2 . . . . 112 LEU HB3 . 15276 1 1283 . 1 1 111 111 LEU HD11 H 1 0.77 0.01 . 2 . . . . 112 LEU HD1 . 15276 1 1284 . 1 1 111 111 LEU HD12 H 1 0.77 0.01 . 2 . . . . 112 LEU HD1 . 15276 1 1285 . 1 1 111 111 LEU HD13 H 1 0.77 0.01 . 2 . . . . 112 LEU HD1 . 15276 1 1286 . 1 1 111 111 LEU HD21 H 1 0.78 0.01 . 2 . . . . 112 LEU HD2 . 15276 1 1287 . 1 1 111 111 LEU HD22 H 1 0.78 0.01 . 2 . . . . 112 LEU HD2 . 15276 1 1288 . 1 1 111 111 LEU HD23 H 1 0.78 0.01 . 2 . . . . 112 LEU HD2 . 15276 1 1289 . 1 1 111 111 LEU HG H 1 1.34 0.01 . 1 . . . . 112 LEU HG . 15276 1 1290 . 1 1 111 111 LEU C C 13 181.4 0.1 . 1 . . . . 112 LEU C . 15276 1 1291 . 1 1 111 111 LEU CA C 13 56.9 0.1 . 1 . . . . 112 LEU CA . 15276 1 1292 . 1 1 111 111 LEU CB C 13 43.9 0.1 . 1 . . . . 112 LEU CB . 15276 1 1293 . 1 1 111 111 LEU CD1 C 13 25.1 0.1 . 2 . . . . 112 LEU CD1 . 15276 1 1294 . 1 1 111 111 LEU CD2 C 13 23.5 0.1 . 2 . . . . 112 LEU CD2 . 15276 1 1295 . 1 1 111 111 LEU CG C 13 27.3 0.1 . 1 . . . . 112 LEU CG . 15276 1 1296 . 1 1 111 111 LEU N N 15 133.8 0.1 . 1 . . . . 112 LEU N . 15276 1 stop_ save_