data_16467 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16467 _Entry.Title ; The Solution structure of the eTAFH domain of AML1-ETO complexed with HEB peptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-08-25 _Entry.Accession_date 2009-08-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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 Sangho Park . . . 16467 2 Tomasz Cierpicki . . . 16467 3 Marco Tonelli . . . 16467 4 John Bushweller . H. . 16467 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16467 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID AML1-ETO . 16467 eTAFH . 16467 HEB . 16467 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16467 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 456 16467 '15N chemical shifts' 108 16467 '1H chemical shifts' 760 16467 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 2 . . 2010-05-28 2009-08-25 update BMRB 'edit assembly name' 16467 1 . . 2009-12-11 2009-08-25 original author 'original release' 16467 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNH 'BMRB Entry Tracking System' 16467 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16467 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19204326 _Citation.Full_citation . _Citation.Title 'Structure of the AML1-ETO eTAFH domain-HEB peptide complex and its contribution to AML1-ETO activity.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Blood _Citation.Journal_name_full Blood _Citation.Journal_volume 113 _Citation.Journal_issue 15 _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 3558 _Citation.Page_last 3567 _Citation.Year 2009 _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 Sangho Park . . . 16467 1 2 Wei Chen . . . 16467 1 3 Tomasz Cierpicki . . . 16467 1 4 Marco Tonelli . . . 16467 1 5 Xiongwei Cai . . . 16467 1 6 Nancy Speck . A. . 16467 1 7 John Bushweller . H. . 16467 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16467 _Assembly.ID 1 _Assembly.Name 'AML1-ETO/HEB peptide complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 entity_1 1 $entity_1 A . yes native no no . . . 16467 1 2 entity_2 2 $entity_2 B . yes native no no . . . 16467 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 16467 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGSGARQLSKLKRFLTTL QQFGNDISPEIGERVRTLVL GLVNSTLTIEEFHSKLQEAT NFPLRPFVIPFLKANLPLLQ RELLHCARLAKQNPAQYLAQ HEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 103 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11623.564 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2H7B . "Solution Structure Of The Etafh Domain From The Human Leukemia-Associated Fusion Protein Aml1-Eto" . . . . . 95.15 105 97.96 97.96 1.57e-60 . . . . 16467 1 2 no PDB 2KNH . "The Solution Structure Of The Etafh Domain Of Aml1-Eto Complexed With Heb Peptide" . . . . . 100.00 103 100.00 100.00 8.88e-67 . . . . 16467 1 3 no PDB 2PP4 . "Solution Structure Of Eto-Tafh Refined In Explicit Solvent" . . . . . 95.15 107 98.98 100.00 1.37e-62 . . . . 16467 1 4 no DBJ BAA03089 . "AML1-MTG8 fusion protein [Homo sapiens]" . . . . . 95.15 752 100.00 100.00 4.52e-58 . . . . 16467 1 5 no DBJ BAA03247 . "MTG8 protein [Homo sapiens]" . . . . . 95.15 567 100.00 100.00 6.27e-59 . . . . 16467 1 6 no DBJ BAA03558 . "MTG8b protein [Homo sapiens]" . . . . . 95.15 604 100.00 100.00 1.30e-58 . . . . 16467 1 7 no DBJ BAA03559 . "chimeric protein [Homo sapiens]" . . . . . 66.02 198 100.00 100.00 1.40e-38 . . . . 16467 1 8 no DBJ BAA03560 . "chimeric protein [Homo sapiens]" . . . . . 95.15 251 100.00 100.00 4.48e-62 . . . . 16467 1 9 no EMBL CAA56311 . "ETO [Homo sapiens]" . . . . . 95.15 574 100.00 100.00 5.29e-59 . . . . 16467 1 10 no EMBL CAF99400 . "unnamed protein product, partial [Tetraodon nigroviridis]" . . . . . 95.15 599 98.98 98.98 2.00e-58 . . . . 16467 1 11 no EMBL CAG33073 . "CBFA2T1 [Homo sapiens]" . . . . . 95.15 577 100.00 100.00 5.97e-59 . . . . 16467 1 12 no EMBL CAH65373 . "hypothetical protein RCJMB04_23o9 [Gallus gallus]" . . . . . 95.15 591 96.94 100.00 1.29e-57 . . . . 16467 1 13 no GB AAB34819 . "AMLI-ETO fusion protein, partial [Homo sapiens]" . . . . . 95.15 588 100.00 100.00 7.13e-59 . . . . 16467 1 14 no GB AAB34820 . "AML1-ETO fusion protein, partial [Homo sapiens]" . . . . . 95.15 231 100.00 100.00 2.25e-62 . . . . 16467 1 15 no GB AAB92651 . "ETO/MTG8-related protein ETO-2 [Mus musculus]" . . . . . 95.15 620 96.94 98.98 1.19e-56 . . . . 16467 1 16 no GB AAC28931 . "putative transcription factor [Homo sapiens]" . . . . . 95.15 577 100.00 100.00 5.97e-59 . . . . 16467 1 17 no GB AAC28932 . "putative transcription factor [Homo sapiens]" . . . . . 95.15 604 100.00 100.00 1.30e-58 . . . . 16467 1 18 no REF NP_001025751 . "protein CBFA2T3 [Gallus gallus]" . . . . . 95.15 591 96.94 100.00 1.29e-57 . . . . 16467 1 19 no REF NP_001070244 . "protein CBFA2T1 [Danio rerio]" . . . . . 95.15 588 98.98 100.00 1.12e-58 . . . . 16467 1 20 no REF NP_001089065 . "runt-related transcription factor 1; translocated to, 1 (cyclin D-related) [Xenopus laevis]" . . . . . 95.15 582 100.00 100.00 7.38e-59 . . . . 16467 1 21 no REF NP_001101923 . "protein CBFA2T3 [Rattus norvegicus]" . . . . . 95.15 619 97.96 98.98 5.86e-57 . . . . 16467 1 22 no REF NP_001102127 . "protein CBFA2T1 [Rattus norvegicus]" . . . . . 95.15 577 100.00 100.00 5.05e-59 . . . . 16467 1 23 no SP O54972 . "RecName: Full=Protein CBFA2T3; AltName: Full=Eight twenty one protein 2; AltName: Full=MTG8-related protein 2; AltName: Full=Pr" . . . . . 95.15 620 96.94 98.98 1.89e-56 . . . . 16467 1 24 no SP O75081 . "RecName: Full=Protein CBFA2T3; AltName: Full=MTG8-related protein 2; AltName: Full=Myeloid translocation gene on chromosome 16 " . . . . . 95.15 653 97.96 98.98 7.57e-57 . . . . 16467 1 25 no SP Q06455 . "RecName: Full=Protein CBFA2T1; AltName: Full=Cyclin-D-related protein; AltName: Full=Eight twenty one protein; AltName: Full=Pr" . . . . . 95.15 604 100.00 100.00 1.30e-58 . . . . 16467 1 26 no SP Q5F3B1 . "RecName: Full=Protein CBFA2T3" . . . . . 95.15 591 96.94 100.00 1.29e-57 . . . . 16467 1 27 no SP Q61909 . "RecName: Full=Protein CBFA2T1; AltName: Full=Protein MTG8" . . . . . 95.15 577 100.00 100.00 4.89e-59 . . . . 16467 1 28 no TPG DAA20254 . "TPA: core-binding factor, runt domain, alpha subunit 2; translocated to, 3-like [Bos taurus]" . . . . . 95.15 598 96.94 98.98 1.45e-56 . . . . 16467 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16467 1 2 . ALA . 16467 1 3 . MET . 16467 1 4 . GLY . 16467 1 5 . SER . 16467 1 6 . GLY . 16467 1 7 . ALA . 16467 1 8 . ARG . 16467 1 9 . GLN . 16467 1 10 . LEU . 16467 1 11 . SER . 16467 1 12 . LYS . 16467 1 13 . LEU . 16467 1 14 . LYS . 16467 1 15 . ARG . 16467 1 16 . PHE . 16467 1 17 . LEU . 16467 1 18 . THR . 16467 1 19 . THR . 16467 1 20 . LEU . 16467 1 21 . GLN . 16467 1 22 . GLN . 16467 1 23 . PHE . 16467 1 24 . GLY . 16467 1 25 . ASN . 16467 1 26 . ASP . 16467 1 27 . ILE . 16467 1 28 . SER . 16467 1 29 . PRO . 16467 1 30 . GLU . 16467 1 31 . ILE . 16467 1 32 . GLY . 16467 1 33 . GLU . 16467 1 34 . ARG . 16467 1 35 . VAL . 16467 1 36 . ARG . 16467 1 37 . THR . 16467 1 38 . LEU . 16467 1 39 . VAL . 16467 1 40 . LEU . 16467 1 41 . GLY . 16467 1 42 . LEU . 16467 1 43 . VAL . 16467 1 44 . ASN . 16467 1 45 . SER . 16467 1 46 . THR . 16467 1 47 . LEU . 16467 1 48 . THR . 16467 1 49 . ILE . 16467 1 50 . GLU . 16467 1 51 . GLU . 16467 1 52 . PHE . 16467 1 53 . HIS . 16467 1 54 . SER . 16467 1 55 . LYS . 16467 1 56 . LEU . 16467 1 57 . GLN . 16467 1 58 . GLU . 16467 1 59 . ALA . 16467 1 60 . THR . 16467 1 61 . ASN . 16467 1 62 . PHE . 16467 1 63 . PRO . 16467 1 64 . LEU . 16467 1 65 . ARG . 16467 1 66 . PRO . 16467 1 67 . PHE . 16467 1 68 . VAL . 16467 1 69 . ILE . 16467 1 70 . PRO . 16467 1 71 . PHE . 16467 1 72 . LEU . 16467 1 73 . LYS . 16467 1 74 . ALA . 16467 1 75 . ASN . 16467 1 76 . LEU . 16467 1 77 . PRO . 16467 1 78 . LEU . 16467 1 79 . LEU . 16467 1 80 . GLN . 16467 1 81 . ARG . 16467 1 82 . GLU . 16467 1 83 . LEU . 16467 1 84 . LEU . 16467 1 85 . HIS . 16467 1 86 . CYS . 16467 1 87 . ALA . 16467 1 88 . ARG . 16467 1 89 . LEU . 16467 1 90 . ALA . 16467 1 91 . LYS . 16467 1 92 . GLN . 16467 1 93 . ASN . 16467 1 94 . PRO . 16467 1 95 . ALA . 16467 1 96 . GLN . 16467 1 97 . TYR . 16467 1 98 . LEU . 16467 1 99 . ALA . 16467 1 100 . GLN . 16467 1 101 . HIS . 16467 1 102 . GLU . 16467 1 103 . GLN . 16467 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16467 1 . ALA 2 2 16467 1 . MET 3 3 16467 1 . GLY 4 4 16467 1 . SER 5 5 16467 1 . GLY 6 6 16467 1 . ALA 7 7 16467 1 . ARG 8 8 16467 1 . GLN 9 9 16467 1 . LEU 10 10 16467 1 . SER 11 11 16467 1 . LYS 12 12 16467 1 . LEU 13 13 16467 1 . LYS 14 14 16467 1 . ARG 15 15 16467 1 . PHE 16 16 16467 1 . LEU 17 17 16467 1 . THR 18 18 16467 1 . THR 19 19 16467 1 . LEU 20 20 16467 1 . GLN 21 21 16467 1 . GLN 22 22 16467 1 . PHE 23 23 16467 1 . GLY 24 24 16467 1 . ASN 25 25 16467 1 . ASP 26 26 16467 1 . ILE 27 27 16467 1 . SER 28 28 16467 1 . PRO 29 29 16467 1 . GLU 30 30 16467 1 . ILE 31 31 16467 1 . GLY 32 32 16467 1 . GLU 33 33 16467 1 . ARG 34 34 16467 1 . VAL 35 35 16467 1 . ARG 36 36 16467 1 . THR 37 37 16467 1 . LEU 38 38 16467 1 . VAL 39 39 16467 1 . LEU 40 40 16467 1 . GLY 41 41 16467 1 . LEU 42 42 16467 1 . VAL 43 43 16467 1 . ASN 44 44 16467 1 . SER 45 45 16467 1 . THR 46 46 16467 1 . LEU 47 47 16467 1 . THR 48 48 16467 1 . ILE 49 49 16467 1 . GLU 50 50 16467 1 . GLU 51 51 16467 1 . PHE 52 52 16467 1 . HIS 53 53 16467 1 . SER 54 54 16467 1 . LYS 55 55 16467 1 . LEU 56 56 16467 1 . GLN 57 57 16467 1 . GLU 58 58 16467 1 . ALA 59 59 16467 1 . THR 60 60 16467 1 . ASN 61 61 16467 1 . PHE 62 62 16467 1 . PRO 63 63 16467 1 . LEU 64 64 16467 1 . ARG 65 65 16467 1 . PRO 66 66 16467 1 . PHE 67 67 16467 1 . VAL 68 68 16467 1 . ILE 69 69 16467 1 . PRO 70 70 16467 1 . PHE 71 71 16467 1 . LEU 72 72 16467 1 . LYS 73 73 16467 1 . ALA 74 74 16467 1 . ASN 75 75 16467 1 . LEU 76 76 16467 1 . PRO 77 77 16467 1 . LEU 78 78 16467 1 . LEU 79 79 16467 1 . GLN 80 80 16467 1 . ARG 81 81 16467 1 . GLU 82 82 16467 1 . LEU 83 83 16467 1 . LEU 84 84 16467 1 . HIS 85 85 16467 1 . CYS 86 86 16467 1 . ALA 87 87 16467 1 . ARG 88 88 16467 1 . LEU 89 89 16467 1 . ALA 90 90 16467 1 . LYS 91 91 16467 1 . GLN 92 92 16467 1 . ASN 93 93 16467 1 . PRO 94 94 16467 1 . ALA 95 95 16467 1 . GLN 96 96 16467 1 . TYR 97 97 16467 1 . LEU 98 98 16467 1 . ALA 99 99 16467 1 . GLN 100 100 16467 1 . HIS 101 101 16467 1 . GLU 102 102 16467 1 . GLN 103 103 16467 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 16467 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code IGTDKELSDLLDFSAMFS _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 18 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1990.227 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-30 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 16851 . ETAD1 . . . . . 94.44 19 100.00 100.00 2.61e-01 . . . . 16467 2 2 no PDB 2KNH . "The Solution Structure Of The Etafh Domain Of Aml1-Eto Complexed With Heb Peptide" . . . . . 100.00 18 100.00 100.00 5.30e-02 . . . . 16467 2 3 no PDB 2KWF . "The Structure Of E-Protein Activation Domain 1 Bound To The Kix Domain Of CbpP300 ELUCIDATES LEUKEMIA INDUCTION BY E2A-Pbx1" . . . . . 94.44 19 100.00 100.00 2.61e-01 . . . . 16467 2 4 no DBJ BAE21989 . "unnamed protein product [Mus musculus]" . . . . . 100.00 523 100.00 100.00 2.15e-01 . . . . 16467 2 5 no DBJ BAE25324 . "unnamed protein product [Mus musculus]" . . . . . 100.00 139 100.00 100.00 3.33e-02 . . . . 16467 2 6 no DBJ BAE41376 . "unnamed protein product [Mus musculus]" . . . . . 100.00 139 100.00 100.00 3.33e-02 . . . . 16467 2 7 no DBJ BAG10617 . "transcription factor 12 [synthetic construct]" . . . . . 100.00 706 100.00 100.00 1.41e-01 . . . . 16467 2 8 no DBJ BAG57800 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 666 100.00 100.00 1.51e-01 . . . . 16467 2 9 no EMBL CAA46052 . "ALF1B protein [Mus musculus]" . . . . . 100.00 706 100.00 100.00 1.49e-01 . . . . 16467 2 10 no EMBL CAD89914 . "hypothetical protein [Homo sapiens]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 11 no EMBL CAG31482 . "hypothetical protein RCJMB04_6o7 [Gallus gallus]" . . . . . 100.00 81 100.00 100.00 4.13e-02 . . . . 16467 2 12 no EMBL CAL38596 . "hypothetical protein [synthetic construct]" . . . . . 100.00 682 100.00 100.00 1.27e-01 . . . . 16467 2 13 no EMBL CDQ61893 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 90 100.00 100.00 3.67e-03 . . . . 16467 2 14 no GB AAA42115 . "cAMP response element-binding protein alpha [Rattus norvegicus]" . . . . . 100.00 707 100.00 100.00 1.41e-01 . . . . 16467 2 15 no GB AAA58632 . "helix-loop-helix protein [Homo sapiens]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 16 no GB AAB62389 . "transcription factor [Homo sapiens]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 17 no GB AAH50556 . "Transcription factor 12 [Homo sapiens]" . . . . . 100.00 706 100.00 100.00 1.41e-01 . . . . 16467 2 18 no GB AAH92888 . "Tcf12 protein [Danio rerio]" . . . . . 100.00 336 100.00 100.00 4.33e-02 . . . . 16467 2 19 no REF NP_001071353 . "transcription factor 12 [Bos taurus]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 20 no REF NP_001187118 . "E-box binding protein 2 [Ictalurus punctatus]" . . . . . 100.00 697 100.00 100.00 7.73e-02 . . . . 16467 2 21 no REF NP_001187135 . "E2A2 transcription factor [Ictalurus punctatus]" . . . . . 88.89 604 100.00 100.00 4.02e-01 . . . . 16467 2 22 no REF NP_001187247 . "E-box binding protein 1 [Ictalurus punctatus]" . . . . . 100.00 705 100.00 100.00 7.90e-02 . . . . 16467 2 23 no REF NP_001240791 . "transcription factor 12 isoform 2 [Mus musculus]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 24 no SP P51514 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=DNA-binding protein HTF4; AltName: Full=E-box-binding protei" . . . . . 100.00 707 100.00 100.00 1.41e-01 . . . . 16467 2 25 no SP Q61286 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class A helix-loop-helix transcription factor ME1; AltName: " . . . . . 100.00 706 100.00 100.00 1.41e-01 . . . . 16467 2 26 no SP Q99081 . "RecName: Full=Transcription factor 12; Short=TCF-12; AltName: Full=Class B basic helix-loop-helix protein 20; Short=bHLHb20; Al" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 27 no TPG DAA01129 . "TPA_exp: helix-loop-helix transcription factor 4 isoform c [Homo sapiens]" . . . . . 100.00 706 100.00 100.00 1.41e-01 . . . . 16467 2 28 no TPG DAA25320 . "TPA: transcription factor 12 [Bos taurus]" . . . . . 100.00 682 100.00 100.00 1.40e-01 . . . . 16467 2 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 . ILE . 16467 2 2 . GLY . 16467 2 3 . THR . 16467 2 4 . ASP . 16467 2 5 . LYS . 16467 2 6 . GLU . 16467 2 7 . LEU . 16467 2 8 . SER . 16467 2 9 . ASP . 16467 2 10 . LEU . 16467 2 11 . LEU . 16467 2 12 . ASP . 16467 2 13 . PHE . 16467 2 14 . SER . 16467 2 15 . ALA . 16467 2 16 . MET . 16467 2 17 . PHE . 16467 2 18 . SER . 16467 2 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 . ILE 1 1 16467 2 . GLY 2 2 16467 2 . THR 3 3 16467 2 . ASP 4 4 16467 2 . LYS 5 5 16467 2 . GLU 6 6 16467 2 . LEU 7 7 16467 2 . SER 8 8 16467 2 . ASP 9 9 16467 2 . LEU 10 10 16467 2 . LEU 11 11 16467 2 . ASP 12 12 16467 2 . PHE 13 13 16467 2 . SER 14 14 16467 2 . ALA 15 15 16467 2 . MET 16 16 16467 2 . PHE 17 17 16467 2 . SER 18 18 16467 2 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 16467 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16467 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 16467 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pHis parallal2' . . . . . . 16467 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16467 _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 Bis-Tris 'natural abundance' . . . . . . 25 . . mM . . . . 16467 1 2 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 16467 1 3 'sodium chloride' 'natural abundance' . . . . . . 350 . . mM . . . . 16467 1 4 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16467 1 5 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16467 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16467 _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' 350 . mM 16467 1 pH 6 . pH 16467 1 pressure 1 . atm 16467 1 temperature 303 . K 16467 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16467 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16467 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16467 1 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 16467 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16467 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16467 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 16467 _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 Varian INOVA . 600 . . . 16467 1 2 spectrometer_2 Varian INOVA . 500 . . . 16467 1 3 spectrometer_3 Bruker Avance . 900 . . . 16467 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 16467 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 7 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16467 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 16467 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16467 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 16467 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16467 1 2 '2D 1H-13C HSQC' . . . 16467 1 4 '3D HNCACB' . . . 16467 1 5 '3D HCCH-TOCSY' . . . 16467 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 GLY HA2 H 1 3.828 0.000 . 2 . . . . 1 GLY QA . 16467 1 2 . 1 1 1 1 GLY HA3 H 1 3.828 0.000 . 2 . . . . 1 GLY QA . 16467 1 3 . 1 1 1 1 GLY CA C 13 43.383 0.000 . 1 . . . . 1 GLY CA . 16467 1 4 . 1 1 2 2 ALA H H 1 8.596 0.003 . 1 . . . . 2 ALA H . 16467 1 5 . 1 1 2 2 ALA HA H 1 4.349 0.012 . 1 . . . . 2 ALA HA . 16467 1 6 . 1 1 2 2 ALA HB1 H 1 1.380 0.006 . . . . . . 2 ALA QB . 16467 1 7 . 1 1 2 2 ALA HB2 H 1 1.380 0.006 . . . . . . 2 ALA QB . 16467 1 8 . 1 1 2 2 ALA HB3 H 1 1.380 0.006 . . . . . . 2 ALA QB . 16467 1 9 . 1 1 2 2 ALA C C 13 177.879 0.000 . 1 . . . . 2 ALA C . 16467 1 10 . 1 1 2 2 ALA CA C 13 52.635 0.017 . 1 . . . . 2 ALA CA . 16467 1 11 . 1 1 2 2 ALA CB C 13 19.394 0.020 . 1 . . . . 2 ALA CB . 16467 1 12 . 1 1 2 2 ALA N N 15 123.821 0.004 . 1 . . . . 2 ALA N . 16467 1 13 . 1 1 3 3 MET H H 1 8.541 0.001 . 1 . . . . 3 MET H . 16467 1 14 . 1 1 3 3 MET HA H 1 4.476 0.009 . 1 . . . . 3 MET HA . 16467 1 15 . 1 1 3 3 MET HB2 H 1 2.082 0.001 . 2 . . . . 3 MET HB2 . 16467 1 16 . 1 1 3 3 MET HB3 H 1 2.047 0.010 . 2 . . . . 3 MET HB3 . 16467 1 17 . 1 1 3 3 MET HG2 H 1 2.619 0.000 . 2 . . . . 3 MET HG2 . 16467 1 18 . 1 1 3 3 MET HG3 H 1 2.560 0.000 . 2 . . . . 3 MET HG3 . 16467 1 19 . 1 1 3 3 MET C C 13 176.843 0.000 . 1 . . . . 3 MET C . 16467 1 20 . 1 1 3 3 MET CA C 13 55.765 0.060 . 1 . . . . 3 MET CA . 16467 1 21 . 1 1 3 3 MET CB C 13 33.060 0.016 . 1 . . . . 3 MET CB . 16467 1 22 . 1 1 3 3 MET CG C 13 32.013 0.081 . 1 . . . . 3 MET CG . 16467 1 23 . 1 1 3 3 MET N N 15 119.991 0.022 . 1 . . . . 3 MET N . 16467 1 24 . 1 1 4 4 GLY H H 1 8.454 0.003 . 1 . . . . 4 GLY H . 16467 1 25 . 1 1 4 4 GLY HA2 H 1 4.025 0.009 . 2 . . . . 4 GLY QA . 16467 1 26 . 1 1 4 4 GLY HA3 H 1 4.025 0.009 . 2 . . . . 4 GLY QA . 16467 1 27 . 1 1 4 4 GLY C C 13 174.470 0.000 . 1 . . . . 4 GLY C . 16467 1 28 . 1 1 4 4 GLY CA C 13 45.362 0.011 . 1 . . . . 4 GLY CA . 16467 1 29 . 1 1 4 4 GLY N N 15 110.343 0.019 . 1 . . . . 4 GLY N . 16467 1 30 . 1 1 5 5 SER H H 1 8.383 0.006 . 1 . . . . 5 SER H . 16467 1 31 . 1 1 5 5 SER HA H 1 4.402 0.008 . 1 . . . . 5 SER HA . 16467 1 32 . 1 1 5 5 SER HB2 H 1 3.974 0.017 . 2 . . . . 5 SER HB2 . 16467 1 33 . 1 1 5 5 SER HB3 H 1 3.899 0.005 . 2 . . . . 5 SER HB3 . 16467 1 34 . 1 1 5 5 SER C C 13 175.711 0.000 . 1 . . . . 5 SER C . 16467 1 35 . 1 1 5 5 SER CA C 13 59.236 0.046 . 1 . . . . 5 SER CA . 16467 1 36 . 1 1 5 5 SER CB C 13 63.612 0.304 . 1 . . . . 5 SER CB . 16467 1 37 . 1 1 5 5 SER N N 15 116.127 0.010 . 1 . . . . 5 SER N . 16467 1 38 . 1 1 6 6 GLY H H 1 8.597 0.004 . 1 . . . . 6 GLY H . 16467 1 39 . 1 1 6 6 GLY HA2 H 1 3.957 0.009 . 2 . . . . 6 GLY QA . 16467 1 40 . 1 1 6 6 GLY HA3 H 1 3.957 0.009 . 2 . . . . 6 GLY QA . 16467 1 41 . 1 1 6 6 GLY C C 13 174.681 0.000 . 1 . . . . 6 GLY C . 16467 1 42 . 1 1 6 6 GLY CA C 13 46.179 0.048 . 1 . . . . 6 GLY CA . 16467 1 43 . 1 1 6 6 GLY N N 15 111.177 0.015 . 1 . . . . 6 GLY N . 16467 1 44 . 1 1 7 7 ALA H H 1 8.079 0.005 . 1 . . . . 7 ALA H . 16467 1 45 . 1 1 7 7 ALA HA H 1 4.187 0.010 . 1 . . . . 7 ALA HA . 16467 1 46 . 1 1 7 7 ALA HB1 H 1 1.427 0.010 . . . . . . 7 ALA QB . 16467 1 47 . 1 1 7 7 ALA HB2 H 1 1.427 0.010 . . . . . . 7 ALA QB . 16467 1 48 . 1 1 7 7 ALA HB3 H 1 1.427 0.010 . . . . . . 7 ALA QB . 16467 1 49 . 1 1 7 7 ALA C C 13 179.636 0.000 . 1 . . . . 7 ALA C . 16467 1 50 . 1 1 7 7 ALA CA C 13 54.298 0.071 . 1 . . . . 7 ALA CA . 16467 1 51 . 1 1 7 7 ALA CB C 13 18.806 0.036 . 1 . . . . 7 ALA CB . 16467 1 52 . 1 1 7 7 ALA N N 15 123.428 0.015 . 1 . . . . 7 ALA N . 16467 1 53 . 1 1 8 8 ARG H H 1 8.321 0.005 . 1 . . . . 8 ARG H . 16467 1 54 . 1 1 8 8 ARG HA H 1 4.187 0.010 . 1 . . . . 8 ARG HA . 16467 1 55 . 1 1 8 8 ARG HB2 H 1 1.928 0.008 . 2 . . . . 8 ARG QB . 16467 1 56 . 1 1 8 8 ARG HB3 H 1 1.928 0.008 . 2 . . . . 8 ARG QB . 16467 1 57 . 1 1 8 8 ARG HD2 H 1 3.237 0.008 . 2 . . . . 8 ARG QD . 16467 1 58 . 1 1 8 8 ARG HD3 H 1 3.237 0.008 . 2 . . . . 8 ARG QD . 16467 1 59 . 1 1 8 8 ARG HG2 H 1 1.739 0.008 . 2 . . . . 8 ARG HG2 . 16467 1 60 . 1 1 8 8 ARG HG3 H 1 1.639 0.014 . 2 . . . . 8 ARG HG3 . 16467 1 61 . 1 1 8 8 ARG C C 13 178.673 0.000 . 1 . . . . 8 ARG C . 16467 1 62 . 1 1 8 8 ARG CA C 13 58.427 0.074 . 1 . . . . 8 ARG CA . 16467 1 63 . 1 1 8 8 ARG CB C 13 30.025 0.047 . 1 . . . . 8 ARG CB . 16467 1 64 . 1 1 8 8 ARG CD C 13 43.435 0.000 . 1 . . . . 8 ARG CD . 16467 1 65 . 1 1 8 8 ARG CG C 13 27.456 0.000 . 1 . . . . 8 ARG CG . 16467 1 66 . 1 1 8 8 ARG N N 15 119.327 0.024 . 1 . . . . 8 ARG N . 16467 1 67 . 1 1 9 9 GLN H H 1 8.366 0.007 . 1 . . . . 9 GLN H . 16467 1 68 . 1 1 9 9 GLN HA H 1 4.360 0.009 . 1 . . . . 9 GLN HA . 16467 1 69 . 1 1 9 9 GLN HB2 H 1 2.178 0.014 . 2 . . . . 9 GLN HB2 . 16467 1 70 . 1 1 9 9 GLN HB3 H 1 2.031 0.006 . 2 . . . . 9 GLN HB3 . 16467 1 71 . 1 1 9 9 GLN HG2 H 1 2.487 0.006 . 2 . . . . 9 GLN QG . 16467 1 72 . 1 1 9 9 GLN HG3 H 1 2.487 0.006 . 2 . . . . 9 GLN QG . 16467 1 73 . 1 1 9 9 GLN C C 13 177.548 0.000 . 1 . . . . 9 GLN C . 16467 1 74 . 1 1 9 9 GLN CA C 13 58.078 0.098 . 1 . . . . 9 GLN CA . 16467 1 75 . 1 1 9 9 GLN CB C 13 28.577 0.077 . 1 . . . . 9 GLN CB . 16467 1 76 . 1 1 9 9 GLN CG C 13 34.204 0.021 . 1 . . . . 9 GLN CG . 16467 1 77 . 1 1 9 9 GLN N N 15 120.447 0.069 . 1 . . . . 9 GLN N . 16467 1 78 . 1 1 10 10 LEU H H 1 8.163 0.003 . 1 . . . . 10 LEU H . 16467 1 79 . 1 1 10 10 LEU HA H 1 4.046 0.019 . 1 . . . . 10 LEU HA . 16467 1 80 . 1 1 10 10 LEU HB2 H 1 1.869 0.007 . 2 . . . . 10 LEU HB2 . 16467 1 81 . 1 1 10 10 LEU HB3 H 1 1.578 0.012 . 2 . . . . 10 LEU HB3 . 16467 1 82 . 1 1 10 10 LEU HD11 H 1 0.849 0.005 . . . . . . 10 LEU QD1 . 16467 1 83 . 1 1 10 10 LEU HD12 H 1 0.849 0.005 . . . . . . 10 LEU QD1 . 16467 1 84 . 1 1 10 10 LEU HD13 H 1 0.849 0.005 . . . . . . 10 LEU QD1 . 16467 1 85 . 1 1 10 10 LEU HD21 H 1 0.884 0.006 . . . . . . 10 LEU QD2 . 16467 1 86 . 1 1 10 10 LEU HD22 H 1 0.884 0.006 . . . . . . 10 LEU QD2 . 16467 1 87 . 1 1 10 10 LEU HD23 H 1 0.884 0.006 . . . . . . 10 LEU QD2 . 16467 1 88 . 1 1 10 10 LEU C C 13 178.592 0.000 . 1 . . . . 10 LEU C . 16467 1 89 . 1 1 10 10 LEU CA C 13 57.965 0.043 . 1 . . . . 10 LEU CA . 16467 1 90 . 1 1 10 10 LEU CB C 13 41.484 0.083 . 1 . . . . 10 LEU CB . 16467 1 91 . 1 1 10 10 LEU CD1 C 13 24.023 0.037 . 2 . . . . 10 LEU CD1 . 16467 1 92 . 1 1 10 10 LEU CD2 C 13 25.256 0.033 . 2 . . . . 10 LEU CD2 . 16467 1 93 . 1 1 10 10 LEU CG C 13 27.289 0.000 . 1 . . . . 10 LEU CG . 16467 1 94 . 1 1 10 10 LEU N N 15 120.680 0.029 . 1 . . . . 10 LEU N . 16467 1 95 . 1 1 11 11 SER H H 1 8.159 0.008 . 1 . . . . 11 SER H . 16467 1 96 . 1 1 11 11 SER HA H 1 4.154 0.016 . 1 . . . . 11 SER HA . 16467 1 97 . 1 1 11 11 SER HB2 H 1 3.998 0.000 . 2 . . . . 11 SER QB . 16467 1 98 . 1 1 11 11 SER HB3 H 1 3.998 0.000 . 2 . . . . 11 SER QB . 16467 1 99 . 1 1 11 11 SER C C 13 176.701 0.000 . 1 . . . . 11 SER C . 16467 1 100 . 1 1 11 11 SER CA C 13 62.380 0.019 . 1 . . . . 11 SER CA . 16467 1 101 . 1 1 11 11 SER N N 15 114.487 0.047 . 1 . . . . 11 SER N . 16467 1 102 . 1 1 12 12 LYS H H 1 7.940 0.008 . 1 . . . . 12 LYS H . 16467 1 103 . 1 1 12 12 LYS HA H 1 4.036 0.000 . . . . . . 12 LYS HA . 16467 1 104 . 1 1 12 12 LYS HB2 H 1 2.013 0.003 . 2 . . . . 12 LYS QB . 16467 1 105 . 1 1 12 12 LYS HB3 H 1 2.013 0.003 . 2 . . . . 12 LYS QB . 16467 1 106 . 1 1 12 12 LYS HD2 H 1 2.157 0.006 . 2 . . . . 12 LYS QD . 16467 1 107 . 1 1 12 12 LYS HD3 H 1 2.157 0.006 . 2 . . . . 12 LYS QD . 16467 1 108 . 1 1 12 12 LYS C C 13 177.886 0.000 . 1 . . . . 12 LYS C . 16467 1 109 . 1 1 12 12 LYS CA C 13 60.113 0.034 . 1 . . . . 12 LYS CA . 16467 1 110 . 1 1 12 12 LYS CB C 13 32.708 0.071 . 1 . . . . 12 LYS CB . 16467 1 111 . 1 1 12 12 LYS N N 15 123.015 0.025 . 1 . . . . 12 LYS N . 16467 1 112 . 1 1 13 13 LEU H H 1 8.483 0.005 . 1 . . . . 13 LEU H . 16467 1 113 . 1 1 13 13 LEU HA H 1 4.364 0.014 . 1 . . . . 13 LEU HA . 16467 1 114 . 1 1 13 13 LEU HB2 H 1 2.316 0.011 . 2 . . . . 13 LEU HB2 . 16467 1 115 . 1 1 13 13 LEU HB3 H 1 1.548 0.018 . 2 . . . . 13 LEU HB3 . 16467 1 116 . 1 1 13 13 LEU HD11 H 1 1.056 0.007 . . . . . . 13 LEU QD1 . 16467 1 117 . 1 1 13 13 LEU HD12 H 1 1.056 0.007 . . . . . . 13 LEU QD1 . 16467 1 118 . 1 1 13 13 LEU HD13 H 1 1.056 0.007 . . . . . . 13 LEU QD1 . 16467 1 119 . 1 1 13 13 LEU HD21 H 1 0.788 0.006 . . . . . . 13 LEU QD2 . 16467 1 120 . 1 1 13 13 LEU HD22 H 1 0.788 0.006 . . . . . . 13 LEU QD2 . 16467 1 121 . 1 1 13 13 LEU HD23 H 1 0.788 0.006 . . . . . . 13 LEU QD2 . 16467 1 122 . 1 1 13 13 LEU C C 13 178.106 0.000 . 1 . . . . 13 LEU C . 16467 1 123 . 1 1 13 13 LEU CA C 13 58.840 0.082 . 1 . . . . 13 LEU CA . 16467 1 124 . 1 1 13 13 LEU CB C 13 40.675 0.039 . 1 . . . . 13 LEU CB . 16467 1 125 . 1 1 13 13 LEU CD1 C 13 24.750 0.034 . 2 . . . . 13 LEU CD1 . 16467 1 126 . 1 1 13 13 LEU CD2 C 13 28.153 0.077 . 2 . . . . 13 LEU CD2 . 16467 1 127 . 1 1 13 13 LEU N N 15 120.379 0.049 . 1 . . . . 13 LEU N . 16467 1 128 . 1 1 14 14 LYS H H 1 8.469 0.007 . 1 . . . . 14 LYS H . 16467 1 129 . 1 1 14 14 LYS HA H 1 3.831 0.012 . 1 . . . . 14 LYS HA . 16467 1 130 . 1 1 14 14 LYS HB2 H 1 1.945 0.008 . 2 . . . . 14 LYS QB . 16467 1 131 . 1 1 14 14 LYS HB3 H 1 1.945 0.008 . 2 . . . . 14 LYS QB . 16467 1 132 . 1 1 14 14 LYS HD2 H 1 1.644 0.000 . 2 . . . . 14 LYS QD . 16467 1 133 . 1 1 14 14 LYS HD3 H 1 1.644 0.000 . 2 . . . . 14 LYS QD . 16467 1 134 . 1 1 14 14 LYS C C 13 179.211 0.000 . 1 . . . . 14 LYS C . 16467 1 135 . 1 1 14 14 LYS CA C 13 61.362 0.045 . 1 . . . . 14 LYS CA . 16467 1 136 . 1 1 14 14 LYS CB C 13 32.421 0.007 . 1 . . . . 14 LYS CB . 16467 1 137 . 1 1 14 14 LYS CD C 13 30.209 0.000 . 1 . . . . 14 LYS CD . 16467 1 138 . 1 1 14 14 LYS CG C 13 27.025 0.000 . 1 . . . . 14 LYS CG . 16467 1 139 . 1 1 14 14 LYS N N 15 119.005 0.056 . 1 . . . . 14 LYS N . 16467 1 140 . 1 1 15 15 ARG H H 1 8.433 0.007 . 1 . . . . 15 ARG H . 16467 1 141 . 1 1 15 15 ARG HA H 1 4.044 0.011 . 1 . . . . 15 ARG HA . 16467 1 142 . 1 1 15 15 ARG HB2 H 1 1.924 0.000 . 2 . . . . 15 ARG QB . 16467 1 143 . 1 1 15 15 ARG HB3 H 1 1.924 0.000 . 2 . . . . 15 ARG QB . 16467 1 144 . 1 1 15 15 ARG HD2 H 1 3.189 0.007 . 2 . . . . 15 ARG QD . 16467 1 145 . 1 1 15 15 ARG HD3 H 1 3.189 0.007 . 2 . . . . 15 ARG QD . 16467 1 146 . 1 1 15 15 ARG HG2 H 1 1.794 0.001 . 2 . . . . 15 ARG HG2 . 16467 1 147 . 1 1 15 15 ARG HG3 H 1 1.615 0.000 . 2 . . . . 15 ARG HG3 . 16467 1 148 . 1 1 15 15 ARG C C 13 179.635 0.000 . 1 . . . . 15 ARG C . 16467 1 149 . 1 1 15 15 ARG CA C 13 59.618 0.062 . 1 . . . . 15 ARG CA . 16467 1 150 . 1 1 15 15 ARG CB C 13 30.085 0.037 . 1 . . . . 15 ARG CB . 16467 1 151 . 1 1 15 15 ARG CD C 13 43.213 0.000 . 1 . . . . 15 ARG CD . 16467 1 152 . 1 1 15 15 ARG CG C 13 28.126 0.000 . 1 . . . . 15 ARG CG . 16467 1 153 . 1 1 15 15 ARG N N 15 119.968 0.041 . 1 . . . . 15 ARG N . 16467 1 154 . 1 1 16 16 PHE H H 1 9.093 0.006 . 1 . . . . 16 PHE H . 16467 1 155 . 1 1 16 16 PHE HA H 1 4.336 0.015 . 1 . . . . 16 PHE HA . 16467 1 156 . 1 1 16 16 PHE HB2 H 1 3.615 0.013 . 2 . . . . 16 PHE HB2 . 16467 1 157 . 1 1 16 16 PHE HB3 H 1 3.196 0.009 . 2 . . . . 16 PHE HB3 . 16467 1 158 . 1 1 16 16 PHE HD1 H 1 7.133 0.007 . . . . . . 16 PHE QD . 16467 1 159 . 1 1 16 16 PHE HD2 H 1 7.133 0.007 . . . . . . 16 PHE QD . 16467 1 160 . 1 1 16 16 PHE HE1 H 1 7.133 0.007 . . . . . . 16 PHE QE . 16467 1 161 . 1 1 16 16 PHE HE2 H 1 7.133 0.007 . . . . . . 16 PHE QE . 16467 1 162 . 1 1 16 16 PHE HZ H 1 7.133 0.007 . . . . . . 16 PHE HZ . 16467 1 163 . 1 1 16 16 PHE C C 13 175.955 0.000 . 1 . . . . 16 PHE C . 16467 1 164 . 1 1 16 16 PHE CA C 13 60.591 0.080 . 1 . . . . 16 PHE CA . 16467 1 165 . 1 1 16 16 PHE CB C 13 38.748 0.130 . 1 . . . . 16 PHE CB . 16467 1 166 . 1 1 16 16 PHE N N 15 123.257 0.029 . 1 . . . . 16 PHE N . 16467 1 167 . 1 1 17 17 LEU H H 1 8.476 0.009 . 1 . . . . 17 LEU H . 16467 1 168 . 1 1 17 17 LEU HA H 1 3.719 0.006 . 1 . . . . 17 LEU HA . 16467 1 169 . 1 1 17 17 LEU HB2 H 1 2.000 0.008 . 2 . . . . 17 LEU HB2 . 16467 1 170 . 1 1 17 17 LEU HB3 H 1 1.357 0.009 . 2 . . . . 17 LEU HB3 . 16467 1 171 . 1 1 17 17 LEU HD11 H 1 0.638 0.007 . . . . . . 17 LEU QD1 . 16467 1 172 . 1 1 17 17 LEU HD12 H 1 0.638 0.007 . . . . . . 17 LEU QD1 . 16467 1 173 . 1 1 17 17 LEU HD13 H 1 0.638 0.007 . . . . . . 17 LEU QD1 . 16467 1 174 . 1 1 17 17 LEU HD21 H 1 0.674 0.006 . . . . . . 17 LEU QD2 . 16467 1 175 . 1 1 17 17 LEU HD22 H 1 0.674 0.006 . . . . . . 17 LEU QD2 . 16467 1 176 . 1 1 17 17 LEU HD23 H 1 0.674 0.006 . . . . . . 17 LEU QD2 . 16467 1 177 . 1 1 17 17 LEU C C 13 180.097 0.000 . 1 . . . . 17 LEU C . 16467 1 178 . 1 1 17 17 LEU CA C 13 58.347 0.027 . 1 . . . . 17 LEU CA . 16467 1 179 . 1 1 17 17 LEU CB C 13 40.750 0.024 . 1 . . . . 17 LEU CB . 16467 1 180 . 1 1 17 17 LEU CD1 C 13 25.245 0.087 . 2 . . . . 17 LEU CD1 . 16467 1 181 . 1 1 17 17 LEU CD2 C 13 21.312 0.024 . 2 . . . . 17 LEU CD2 . 16467 1 182 . 1 1 17 17 LEU N N 15 117.141 0.039 . 1 . . . . 17 LEU N . 16467 1 183 . 1 1 18 18 THR H H 1 8.381 0.009 . 1 . . . . 18 THR H . 16467 1 184 . 1 1 18 18 THR HA H 1 3.927 0.007 . 1 . . . . 18 THR HA . 16467 1 185 . 1 1 18 18 THR HB H 1 4.203 0.005 . 1 . . . . 18 THR HB . 16467 1 186 . 1 1 18 18 THR HG21 H 1 1.191 0.006 . . . . . . 18 THR QG2 . 16467 1 187 . 1 1 18 18 THR HG22 H 1 1.191 0.006 . . . . . . 18 THR QG2 . 16467 1 188 . 1 1 18 18 THR HG23 H 1 1.191 0.006 . . . . . . 18 THR QG2 . 16467 1 189 . 1 1 18 18 THR C C 13 176.566 0.000 . 1 . . . . 18 THR C . 16467 1 190 . 1 1 18 18 THR CA C 13 66.997 0.077 . 1 . . . . 18 THR CA . 16467 1 191 . 1 1 18 18 THR CB C 13 68.707 0.062 . 1 . . . . 18 THR CB . 16467 1 192 . 1 1 18 18 THR CG2 C 13 21.908 0.048 . 1 . . . . 18 THR CG2 . 16467 1 193 . 1 1 18 18 THR N N 15 115.537 0.048 . 1 . . . . 18 THR N . 16467 1 194 . 1 1 19 19 THR H H 1 8.318 0.008 . 1 . . . . 19 THR H . 16467 1 195 . 1 1 19 19 THR HA H 1 4.133 0.003 . 1 . . . . 19 THR HA . 16467 1 196 . 1 1 19 19 THR HB H 1 3.732 0.000 . 1 . . . . 19 THR HB . 16467 1 197 . 1 1 19 19 THR C C 13 175.628 0.000 . 1 . . . . 19 THR C . 16467 1 198 . 1 1 19 19 THR CA C 13 67.856 0.000 . 1 . . . . 19 THR CA . 16467 1 199 . 1 1 19 19 THR N N 15 121.043 0.028 . 1 . . . . 19 THR N . 16467 1 200 . 1 1 20 20 LEU H H 1 7.973 0.007 . 1 . . . . 20 LEU H . 16467 1 201 . 1 1 20 20 LEU HA H 1 3.722 0.015 . 1 . . . . 20 LEU HA . 16467 1 202 . 1 1 20 20 LEU HB2 H 1 1.760 0.009 . 2 . . . . 20 LEU HB2 . 16467 1 203 . 1 1 20 20 LEU HB3 H 1 1.106 0.013 . 2 . . . . 20 LEU HB3 . 16467 1 204 . 1 1 20 20 LEU HD11 H 1 0.416 0.000 . . . . . . 20 LEU QD1 . 16467 1 205 . 1 1 20 20 LEU HD12 H 1 0.416 0.000 . . . . . . 20 LEU QD1 . 16467 1 206 . 1 1 20 20 LEU HD13 H 1 0.416 0.000 . . . . . . 20 LEU QD1 . 16467 1 207 . 1 1 20 20 LEU HD21 H 1 0.553 0.014 . . . . . . 20 LEU QD2 . 16467 1 208 . 1 1 20 20 LEU HD22 H 1 0.553 0.014 . . . . . . 20 LEU QD2 . 16467 1 209 . 1 1 20 20 LEU HD23 H 1 0.553 0.014 . . . . . . 20 LEU QD2 . 16467 1 210 . 1 1 20 20 LEU HG H 1 1.387 0.011 . 1 . . . . 20 LEU HG . 16467 1 211 . 1 1 20 20 LEU C C 13 178.701 0.000 . 1 . . . . 20 LEU C . 16467 1 212 . 1 1 20 20 LEU CA C 13 58.156 0.078 . 1 . . . . 20 LEU CA . 16467 1 213 . 1 1 20 20 LEU CB C 13 42.191 0.042 . 1 . . . . 20 LEU CB . 16467 1 214 . 1 1 20 20 LEU CD1 C 13 25.532 0.070 . 2 . . . . 20 LEU CD1 . 16467 1 215 . 1 1 20 20 LEU CD2 C 13 22.752 0.020 . 2 . . . . 20 LEU CD2 . 16467 1 216 . 1 1 20 20 LEU CG C 13 25.520 0.012 . 1 . . . . 20 LEU CG . 16467 1 217 . 1 1 20 20 LEU N N 15 119.128 0.042 . 1 . . . . 20 LEU N . 16467 1 218 . 1 1 21 21 GLN H H 1 7.245 0.009 . 1 . . . . 21 GLN H . 16467 1 219 . 1 1 21 21 GLN HA H 1 3.943 0.007 . 1 . . . . 21 GLN HA . 16467 1 220 . 1 1 21 21 GLN HB2 H 1 2.117 0.000 . 2 . . . . 21 GLN QB . 16467 1 221 . 1 1 21 21 GLN HB3 H 1 2.117 0.000 . 2 . . . . 21 GLN QB . 16467 1 222 . 1 1 21 21 GLN C C 13 177.882 0.000 . 1 . . . . 21 GLN C . 16467 1 223 . 1 1 21 21 GLN CA C 13 59.093 0.030 . 1 . . . . 21 GLN CA . 16467 1 224 . 1 1 21 21 GLN CB C 13 30.237 0.000 . 1 . . . . 21 GLN CB . 16467 1 225 . 1 1 21 21 GLN CG C 13 35.831 0.000 . 1 . . . . 21 GLN CG . 16467 1 226 . 1 1 21 21 GLN N N 15 116.251 0.037 . 1 . . . . 21 GLN N . 16467 1 227 . 1 1 22 22 GLN H H 1 8.178 0.008 . 1 . . . . 22 GLN H . 16467 1 228 . 1 1 22 22 GLN HA H 1 4.020 0.014 . 1 . . . . 22 GLN HA . 16467 1 229 . 1 1 22 22 GLN HB2 H 1 2.042 0.012 . 2 . . . . 22 GLN QB . 16467 1 230 . 1 1 22 22 GLN HB3 H 1 2.042 0.012 . 2 . . . . 22 GLN QB . 16467 1 231 . 1 1 22 22 GLN HG2 H 1 2.171 0.006 . 2 . . . . 22 GLN QG . 16467 1 232 . 1 1 22 22 GLN HG3 H 1 2.171 0.006 . 2 . . . . 22 GLN QG . 16467 1 233 . 1 1 22 22 GLN C C 13 178.169 0.000 . 1 . . . . 22 GLN C . 16467 1 234 . 1 1 22 22 GLN CA C 13 59.119 0.071 . 1 . . . . 22 GLN CA . 16467 1 235 . 1 1 22 22 GLN CB C 13 28.471 0.000 . 1 . . . . 22 GLN CB . 16467 1 236 . 1 1 22 22 GLN CG C 13 33.562 0.000 . 1 . . . . 22 GLN CG . 16467 1 237 . 1 1 22 22 GLN N N 15 120.766 0.066 . 1 . . . . 22 GLN N . 16467 1 238 . 1 1 23 23 PHE H H 1 8.756 0.011 . 1 . . . . 23 PHE H . 16467 1 239 . 1 1 23 23 PHE HA H 1 3.975 0.006 . 1 . . . . 23 PHE HA . 16467 1 240 . 1 1 23 23 PHE HB2 H 1 3.259 0.000 . 2 . . . . 23 PHE HB2 . 16467 1 241 . 1 1 23 23 PHE HB3 H 1 3.098 0.000 . 2 . . . . 23 PHE HB3 . 16467 1 242 . 1 1 23 23 PHE C C 13 179.670 0.000 . 1 . . . . 23 PHE C . 16467 1 243 . 1 1 23 23 PHE CA C 13 59.065 0.052 . 1 . . . . 23 PHE CA . 16467 1 244 . 1 1 23 23 PHE N N 15 117.829 0.087 . 1 . . . . 23 PHE N . 16467 1 245 . 1 1 24 24 GLY H H 1 8.637 0.008 . 1 . . . . 24 GLY H . 16467 1 246 . 1 1 24 24 GLY HA2 H 1 3.803 0.000 . . . . . . 24 GLY HA2 . 16467 1 247 . 1 1 24 24 GLY HA3 H 1 3.503 0.000 . . . . . . 24 GLY HA3 . 16467 1 248 . 1 1 24 24 GLY C C 13 173.927 0.000 . 1 . . . . 24 GLY C . 16467 1 249 . 1 1 24 24 GLY CA C 13 47.840 0.050 . 1 . . . . 24 GLY CA . 16467 1 250 . 1 1 24 24 GLY N N 15 106.466 0.102 . 1 . . . . 24 GLY N . 16467 1 251 . 1 1 25 25 ASN H H 1 8.224 0.011 . 1 . . . . 25 ASN H . 16467 1 252 . 1 1 25 25 ASN HA H 1 4.333 0.004 . 1 . . . . 25 ASN HA . 16467 1 253 . 1 1 25 25 ASN HB2 H 1 2.926 0.007 . 2 . . . . 25 ASN HB2 . 16467 1 254 . 1 1 25 25 ASN HB3 H 1 2.803 0.006 . 2 . . . . 25 ASN HB3 . 16467 1 255 . 1 1 25 25 ASN C C 13 176.789 0.000 . 1 . . . . 25 ASN C . 16467 1 256 . 1 1 25 25 ASN CA C 13 55.546 0.043 . 1 . . . . 25 ASN CA . 16467 1 257 . 1 1 25 25 ASN CB C 13 38.462 0.008 . 1 . . . . 25 ASN CB . 16467 1 258 . 1 1 25 25 ASN N N 15 119.899 0.050 . 1 . . . . 25 ASN N . 16467 1 259 . 1 1 26 26 ASP H H 1 7.884 0.010 . 1 . . . . 26 ASP H . 16467 1 260 . 1 1 26 26 ASP HA H 1 4.415 0.012 . 1 . . . . 26 ASP HA . 16467 1 261 . 1 1 26 26 ASP HB2 H 1 2.919 0.008 . 2 . . . . 26 ASP HB2 . 16467 1 262 . 1 1 26 26 ASP HB3 H 1 2.733 0.011 . 2 . . . . 26 ASP HB3 . 16467 1 263 . 1 1 26 26 ASP C C 13 177.640 0.000 . 1 . . . . 26 ASP C . 16467 1 264 . 1 1 26 26 ASP CA C 13 56.123 0.040 . 1 . . . . 26 ASP CA . 16467 1 265 . 1 1 26 26 ASP CB C 13 40.752 0.010 . 1 . . . . 26 ASP CB . 16467 1 266 . 1 1 26 26 ASP N N 15 117.864 0.039 . 1 . . . . 26 ASP N . 16467 1 267 . 1 1 27 27 ILE H H 1 7.480 0.009 . 1 . . . . 27 ILE H . 16467 1 268 . 1 1 27 27 ILE HA H 1 3.882 0.013 . 1 . . . . 27 ILE HA . 16467 1 269 . 1 1 27 27 ILE HB H 1 2.081 0.014 . 1 . . . . 27 ILE HB . 16467 1 270 . 1 1 27 27 ILE HD11 H 1 0.924 0.013 . . . . . . 27 ILE QD1 . 16467 1 271 . 1 1 27 27 ILE HD12 H 1 0.924 0.013 . . . . . . 27 ILE QD1 . 16467 1 272 . 1 1 27 27 ILE HD13 H 1 0.924 0.013 . . . . . . 27 ILE QD1 . 16467 1 273 . 1 1 27 27 ILE HG12 H 1 1.986 0.007 . 2 . . . . 27 ILE HG12 . 16467 1 274 . 1 1 27 27 ILE HG13 H 1 1.127 0.007 . 2 . . . . 27 ILE HG13 . 16467 1 275 . 1 1 27 27 ILE HG21 H 1 1.001 0.008 . . . . . . 27 ILE QG2 . 16467 1 276 . 1 1 27 27 ILE HG22 H 1 1.001 0.008 . . . . . . 27 ILE QG2 . 16467 1 277 . 1 1 27 27 ILE HG23 H 1 1.001 0.008 . . . . . . 27 ILE QG2 . 16467 1 278 . 1 1 27 27 ILE C C 13 176.772 0.000 . 1 . . . . 27 ILE C . 16467 1 279 . 1 1 27 27 ILE CA C 13 65.167 0.064 . 1 . . . . 27 ILE CA . 16467 1 280 . 1 1 27 27 ILE CB C 13 37.848 0.042 . 1 . . . . 27 ILE CB . 16467 1 281 . 1 1 27 27 ILE CD1 C 13 13.881 0.077 . 1 . . . . 27 ILE CD1 . 16467 1 282 . 1 1 27 27 ILE CG2 C 13 17.757 0.036 . 1 . . . . 27 ILE CG2 . 16467 1 283 . 1 1 27 27 ILE N N 15 121.001 0.027 . 1 . . . . 27 ILE N . 16467 1 284 . 1 1 28 28 SER H H 1 7.784 0.010 . 1 . . . . 28 SER H . 16467 1 285 . 1 1 28 28 SER HA H 1 4.845 0.007 . 1 . . . . 28 SER HA . 16467 1 286 . 1 1 28 28 SER HB2 H 1 4.290 0.008 . 2 . . . . 28 SER QB . 16467 1 287 . 1 1 28 28 SER HB3 H 1 4.290 0.008 . 2 . . . . 28 SER QB . 16467 1 288 . 1 1 28 28 SER CA C 13 56.980 0.054 . 1 . . . . 28 SER CA . 16467 1 289 . 1 1 28 28 SER CB C 13 63.116 0.005 . 1 . . . . 28 SER CB . 16467 1 290 . 1 1 28 28 SER N N 15 110.976 0.026 . 1 . . . . 28 SER N . 16467 1 291 . 1 1 29 29 PRO HA H 1 4.500 0.007 . 1 . . . . 29 PRO HA . 16467 1 292 . 1 1 29 29 PRO HB2 H 1 2.435 0.005 . 2 . . . . 29 PRO HB2 . 16467 1 293 . 1 1 29 29 PRO HB3 H 1 1.959 0.005 . 2 . . . . 29 PRO HB3 . 16467 1 294 . 1 1 29 29 PRO HG2 H 1 2.218 0.000 . 2 . . . . 29 PRO HG2 . 16467 1 295 . 1 1 29 29 PRO HG3 H 1 2.092 0.016 . 2 . . . . 29 PRO HG3 . 16467 1 296 . 1 1 29 29 PRO C C 13 179.619 0.000 . 1 . . . . 29 PRO C . 16467 1 297 . 1 1 29 29 PRO CA C 13 65.199 0.047 . 1 . . . . 29 PRO CA . 16467 1 298 . 1 1 29 29 PRO CB C 13 31.798 0.051 . 1 . . . . 29 PRO CB . 16467 1 299 . 1 1 29 29 PRO CG C 13 27.952 0.000 . 1 . . . . 29 PRO CG . 16467 1 300 . 1 1 30 30 GLU H H 1 8.448 0.004 . 1 . . . . 30 GLU H . 16467 1 301 . 1 1 30 30 GLU HA H 1 4.085 0.009 . 1 . . . . 30 GLU HA . 16467 1 302 . 1 1 30 30 GLU HB2 H 1 2.078 0.006 . 2 . . . . 30 GLU HB2 . 16467 1 303 . 1 1 30 30 GLU HB3 H 1 1.910 0.002 . 2 . . . . 30 GLU HB3 . 16467 1 304 . 1 1 30 30 GLU HG2 H 1 2.296 0.013 . 2 . . . . 30 GLU QG . 16467 1 305 . 1 1 30 30 GLU HG3 H 1 2.296 0.013 . 2 . . . . 30 GLU QG . 16467 1 306 . 1 1 30 30 GLU C C 13 179.702 0.000 . 1 . . . . 30 GLU C . 16467 1 307 . 1 1 30 30 GLU CA C 13 60.101 0.062 . 1 . . . . 30 GLU CA . 16467 1 308 . 1 1 30 30 GLU CB C 13 29.155 0.025 . 1 . . . . 30 GLU CB . 16467 1 309 . 1 1 30 30 GLU CG C 13 36.792 0.031 . 1 . . . . 30 GLU CG . 16467 1 310 . 1 1 30 30 GLU N N 15 117.567 0.023 . 1 . . . . 30 GLU N . 16467 1 311 . 1 1 31 31 ILE H H 1 8.007 0.006 . 1 . . . . 31 ILE H . 16467 1 312 . 1 1 31 31 ILE HA H 1 3.808 0.024 . 1 . . . . 31 ILE HA . 16467 1 313 . 1 1 31 31 ILE HB H 1 2.207 0.012 . 1 . . . . 31 ILE HB . 16467 1 314 . 1 1 31 31 ILE HD11 H 1 0.773 0.007 . . . . . . 31 ILE QD1 . 16467 1 315 . 1 1 31 31 ILE HD12 H 1 0.773 0.007 . . . . . . 31 ILE QD1 . 16467 1 316 . 1 1 31 31 ILE HD13 H 1 0.773 0.007 . . . . . . 31 ILE QD1 . 16467 1 317 . 1 1 31 31 ILE HG12 H 1 1.479 0.012 . 2 . . . . 31 ILE HG12 . 16467 1 318 . 1 1 31 31 ILE HG13 H 1 1.406 0.011 . 2 . . . . 31 ILE HG13 . 16467 1 319 . 1 1 31 31 ILE HG21 H 1 0.800 0.006 . . . . . . 31 ILE QG2 . 16467 1 320 . 1 1 31 31 ILE HG22 H 1 0.800 0.006 . . . . . . 31 ILE QG2 . 16467 1 321 . 1 1 31 31 ILE HG23 H 1 0.800 0.006 . . . . . . 31 ILE QG2 . 16467 1 322 . 1 1 31 31 ILE C C 13 178.684 0.000 . 1 . . . . 31 ILE C . 16467 1 323 . 1 1 31 31 ILE CA C 13 62.783 0.079 . 1 . . . . 31 ILE CA . 16467 1 324 . 1 1 31 31 ILE CB C 13 34.766 0.044 . 1 . . . . 31 ILE CB . 16467 1 325 . 1 1 31 31 ILE CD1 C 13 10.028 0.057 . 1 . . . . 31 ILE CD1 . 16467 1 326 . 1 1 31 31 ILE CG1 C 13 28.521 0.086 . 1 . . . . 31 ILE CG1 . 16467 1 327 . 1 1 31 31 ILE CG2 C 13 18.392 0.026 . 1 . . . . 31 ILE CG2 . 16467 1 328 . 1 1 31 31 ILE N N 15 122.790 0.021 . 1 . . . . 31 ILE N . 16467 1 329 . 1 1 32 32 GLY H H 1 8.835 0.007 . 1 . . . . 32 GLY H . 16467 1 330 . 1 1 32 32 GLY HA2 H 1 4.289 0.012 . 2 . . . . 32 GLY HA2 . 16467 1 331 . 1 1 32 32 GLY HA3 H 1 3.399 0.005 . 2 . . . . 32 GLY HA3 . 16467 1 332 . 1 1 32 32 GLY C C 13 176.803 0.000 . 1 . . . . 32 GLY C . 16467 1 333 . 1 1 32 32 GLY CA C 13 48.010 0.034 . 1 . . . . 32 GLY CA . 16467 1 334 . 1 1 32 32 GLY N N 15 110.400 0.025 . 1 . . . . 32 GLY N . 16467 1 335 . 1 1 33 33 GLU H H 1 8.167 0.006 . 1 . . . . 33 GLU H . 16467 1 336 . 1 1 33 33 GLU HA H 1 4.257 0.010 . 1 . . . . 33 GLU HA . 16467 1 337 . 1 1 33 33 GLU HB2 H 1 2.112 0.013 . 2 . . . . 33 GLU HB2 . 16467 1 338 . 1 1 33 33 GLU HB3 H 1 2.093 0.004 . 2 . . . . 33 GLU HB3 . 16467 1 339 . 1 1 33 33 GLU HG2 H 1 2.330 0.006 . 2 . . . . 33 GLU QG . 16467 1 340 . 1 1 33 33 GLU HG3 H 1 2.330 0.006 . 2 . . . . 33 GLU QG . 16467 1 341 . 1 1 33 33 GLU C C 13 178.675 0.000 . 1 . . . . 33 GLU C . 16467 1 342 . 1 1 33 33 GLU CA C 13 58.948 0.073 . 1 . . . . 33 GLU CA . 16467 1 343 . 1 1 33 33 GLU CB C 13 29.065 0.071 . 1 . . . . 33 GLU CB . 16467 1 344 . 1 1 33 33 GLU CG C 13 35.570 0.035 . 1 . . . . 33 GLU CG . 16467 1 345 . 1 1 33 33 GLU N N 15 122.565 0.025 . 1 . . . . 33 GLU N . 16467 1 346 . 1 1 34 34 ARG H H 1 7.844 0.008 . 1 . . . . 34 ARG H . 16467 1 347 . 1 1 34 34 ARG HA H 1 4.094 0.008 . 1 . . . . 34 ARG HA . 16467 1 348 . 1 1 34 34 ARG HB2 H 1 2.000 0.010 . 2 . . . . 34 ARG QB . 16467 1 349 . 1 1 34 34 ARG HB3 H 1 2.000 0.010 . 2 . . . . 34 ARG QB . 16467 1 350 . 1 1 34 34 ARG HD2 H 1 3.165 0.014 . 2 . . . . 34 ARG QD . 16467 1 351 . 1 1 34 34 ARG HD3 H 1 3.165 0.014 . 2 . . . . 34 ARG QD . 16467 1 352 . 1 1 34 34 ARG HG2 H 1 1.687 0.010 . 2 . . . . 34 ARG QG . 16467 1 353 . 1 1 34 34 ARG HG3 H 1 1.687 0.010 . 2 . . . . 34 ARG QG . 16467 1 354 . 1 1 34 34 ARG C C 13 179.077 0.000 . 1 . . . . 34 ARG C . 16467 1 355 . 1 1 34 34 ARG CA C 13 59.018 0.055 . 1 . . . . 34 ARG CA . 16467 1 356 . 1 1 34 34 ARG CB C 13 29.761 0.037 . 1 . . . . 34 ARG CB . 16467 1 357 . 1 1 34 34 ARG CD C 13 43.511 0.000 . 1 . . . . 34 ARG CD . 16467 1 358 . 1 1 34 34 ARG CG C 13 26.587 0.000 . 1 . . . . 34 ARG CG . 16467 1 359 . 1 1 34 34 ARG N N 15 121.566 0.019 . 1 . . . . 34 ARG N . 16467 1 360 . 1 1 35 35 VAL H H 1 8.756 0.012 . 1 . . . . 35 VAL H . 16467 1 361 . 1 1 35 35 VAL HA H 1 3.366 0.009 . 1 . . . . 35 VAL HA . 16467 1 362 . 1 1 35 35 VAL HB H 1 2.226 0.008 . 1 . . . . 35 VAL HB . 16467 1 363 . 1 1 35 35 VAL HG11 H 1 0.800 0.005 . . . . . . 35 VAL QG1 . 16467 1 364 . 1 1 35 35 VAL HG12 H 1 0.800 0.005 . . . . . . 35 VAL QG1 . 16467 1 365 . 1 1 35 35 VAL HG13 H 1 0.800 0.005 . . . . . . 35 VAL QG1 . 16467 1 366 . 1 1 35 35 VAL HG21 H 1 0.904 0.005 . . . . . . 35 VAL QG2 . 16467 1 367 . 1 1 35 35 VAL HG22 H 1 0.904 0.005 . . . . . . 35 VAL QG2 . 16467 1 368 . 1 1 35 35 VAL HG23 H 1 0.904 0.005 . . . . . . 35 VAL QG2 . 16467 1 369 . 1 1 35 35 VAL C C 13 176.933 0.000 . 1 . . . . 35 VAL C . 16467 1 370 . 1 1 35 35 VAL CA C 13 67.805 0.049 . 1 . . . . 35 VAL CA . 16467 1 371 . 1 1 35 35 VAL CB C 13 31.349 0.093 . 1 . . . . 35 VAL CB . 16467 1 372 . 1 1 35 35 VAL CG1 C 13 21.622 0.032 . 2 . . . . 35 VAL CG1 . 16467 1 373 . 1 1 35 35 VAL CG2 C 13 23.584 0.017 . 2 . . . . 35 VAL CG2 . 16467 1 374 . 1 1 35 35 VAL N N 15 118.650 0.020 . 1 . . . . 35 VAL N . 16467 1 375 . 1 1 36 36 ARG H H 1 8.270 0.010 . 1 . . . . 36 ARG H . 16467 1 376 . 1 1 36 36 ARG HA H 1 3.928 0.017 . 1 . . . . 36 ARG HA . 16467 1 377 . 1 1 36 36 ARG HB2 H 1 2.038 0.010 . 2 . . . . 36 ARG QB . 16467 1 378 . 1 1 36 36 ARG HB3 H 1 2.038 0.010 . 2 . . . . 36 ARG QB . 16467 1 379 . 1 1 36 36 ARG HD2 H 1 3.234 0.000 . 2 . . . . 36 ARG QD . 16467 1 380 . 1 1 36 36 ARG HD3 H 1 3.234 0.000 . 2 . . . . 36 ARG QD . 16467 1 381 . 1 1 36 36 ARG HG2 H 1 1.668 0.000 . 2 . . . . 36 ARG QG . 16467 1 382 . 1 1 36 36 ARG HG3 H 1 1.668 0.000 . 2 . . . . 36 ARG QG . 16467 1 383 . 1 1 36 36 ARG C C 13 178.701 0.000 . 1 . . . . 36 ARG C . 16467 1 384 . 1 1 36 36 ARG CA C 13 60.591 0.034 . 1 . . . . 36 ARG CA . 16467 1 385 . 1 1 36 36 ARG CB C 13 30.060 0.013 . 1 . . . . 36 ARG CB . 16467 1 386 . 1 1 36 36 ARG CD C 13 43.536 0.000 . 1 . . . . 36 ARG CD . 16467 1 387 . 1 1 36 36 ARG CG C 13 27.492 0.000 . 1 . . . . 36 ARG CG . 16467 1 388 . 1 1 36 36 ARG N N 15 121.041 0.038 . 1 . . . . 36 ARG N . 16467 1 389 . 1 1 37 37 THR H H 1 8.248 0.006 . 1 . . . . 37 THR H . 16467 1 390 . 1 1 37 37 THR HA H 1 3.900 0.008 . 1 . . . . 37 THR HA . 16467 1 391 . 1 1 37 37 THR HB H 1 4.336 0.018 . 1 . . . . 37 THR HB . 16467 1 392 . 1 1 37 37 THR HG21 H 1 1.262 0.006 . . . . . . 37 THR QG2 . 16467 1 393 . 1 1 37 37 THR HG22 H 1 1.262 0.006 . . . . . . 37 THR QG2 . 16467 1 394 . 1 1 37 37 THR HG23 H 1 1.262 0.006 . . . . . . 37 THR QG2 . 16467 1 395 . 1 1 37 37 THR C C 13 177.586 0.000 . 1 . . . . 37 THR C . 16467 1 396 . 1 1 37 37 THR CA C 13 66.818 0.084 . 1 . . . . 37 THR CA . 16467 1 397 . 1 1 37 37 THR CB C 13 68.992 0.010 . 1 . . . . 37 THR CB . 16467 1 398 . 1 1 37 37 THR CG2 C 13 21.949 0.029 . 1 . . . . 37 THR CG2 . 16467 1 399 . 1 1 37 37 THR N N 15 114.062 0.050 . 1 . . . . 37 THR N . 16467 1 400 . 1 1 38 38 LEU H H 1 8.150 0.007 . 1 . . . . 38 LEU H . 16467 1 401 . 1 1 38 38 LEU HA H 1 4.220 0.013 . 1 . . . . 38 LEU HA . 16467 1 402 . 1 1 38 38 LEU HB2 H 1 2.200 0.010 . 2 . . . . 38 LEU HB2 . 16467 1 403 . 1 1 38 38 LEU HB3 H 1 1.427 0.016 . 2 . . . . 38 LEU HB3 . 16467 1 404 . 1 1 38 38 LEU HD11 H 1 0.525 0.006 . . . . . . 38 LEU QD1 . 16467 1 405 . 1 1 38 38 LEU HD12 H 1 0.525 0.006 . . . . . . 38 LEU QD1 . 16467 1 406 . 1 1 38 38 LEU HD13 H 1 0.525 0.006 . . . . . . 38 LEU QD1 . 16467 1 407 . 1 1 38 38 LEU HD21 H 1 0.810 0.007 . . . . . . 38 LEU QD2 . 16467 1 408 . 1 1 38 38 LEU HD22 H 1 0.810 0.007 . . . . . . 38 LEU QD2 . 16467 1 409 . 1 1 38 38 LEU HD23 H 1 0.810 0.007 . . . . . . 38 LEU QD2 . 16467 1 410 . 1 1 38 38 LEU HG H 1 1.982 0.007 . 1 . . . . 38 LEU HG . 16467 1 411 . 1 1 38 38 LEU C C 13 178.394 0.000 . 1 . . . . 38 LEU C . 16467 1 412 . 1 1 38 38 LEU CA C 13 58.086 0.091 . 1 . . . . 38 LEU CA . 16467 1 413 . 1 1 38 38 LEU CB C 13 41.766 0.039 . 1 . . . . 38 LEU CB . 16467 1 414 . 1 1 38 38 LEU CD1 C 13 25.495 0.075 . 2 . . . . 38 LEU CD1 . 16467 1 415 . 1 1 38 38 LEU CD2 C 13 23.653 0.052 . 2 . . . . 38 LEU CD2 . 16467 1 416 . 1 1 38 38 LEU CG C 13 26.595 0.087 . 1 . . . . 38 LEU CG . 16467 1 417 . 1 1 38 38 LEU N N 15 124.334 0.045 . 1 . . . . 38 LEU N . 16467 1 418 . 1 1 39 39 VAL H H 1 8.838 0.009 . 1 . . . . 39 VAL H . 16467 1 419 . 1 1 39 39 VAL HA H 1 3.471 0.011 . 1 . . . . 39 VAL HA . 16467 1 420 . 1 1 39 39 VAL HB H 1 2.283 0.011 . 1 . . . . 39 VAL HB . 16467 1 421 . 1 1 39 39 VAL HG11 H 1 0.901 0.006 . . . . . . 39 VAL QG1 . 16467 1 422 . 1 1 39 39 VAL HG12 H 1 0.901 0.006 . . . . . . 39 VAL QG1 . 16467 1 423 . 1 1 39 39 VAL HG13 H 1 0.901 0.006 . . . . . . 39 VAL QG1 . 16467 1 424 . 1 1 39 39 VAL HG21 H 1 1.137 0.010 . . . . . . 39 VAL QG2 . 16467 1 425 . 1 1 39 39 VAL HG22 H 1 1.137 0.010 . . . . . . 39 VAL QG2 . 16467 1 426 . 1 1 39 39 VAL HG23 H 1 1.137 0.010 . . . . . . 39 VAL QG2 . 16467 1 427 . 1 1 39 39 VAL C C 13 177.617 0.000 . 1 . . . . 39 VAL C . 16467 1 428 . 1 1 39 39 VAL CA C 13 67.547 0.092 . 1 . . . . 39 VAL CA . 16467 1 429 . 1 1 39 39 VAL CB C 13 31.660 0.043 . 1 . . . . 39 VAL CB . 16467 1 430 . 1 1 39 39 VAL CG1 C 13 22.281 0.053 . 2 . . . . 39 VAL CG1 . 16467 1 431 . 1 1 39 39 VAL CG2 C 13 23.325 0.033 . 2 . . . . 39 VAL CG2 . 16467 1 432 . 1 1 39 39 VAL N N 15 120.021 0.025 . 1 . . . . 39 VAL N . 16467 1 433 . 1 1 40 40 LEU H H 1 8.324 0.009 . 1 . . . . 40 LEU H . 16467 1 434 . 1 1 40 40 LEU HA H 1 3.953 0.011 . 1 . . . . 40 LEU HA . 16467 1 435 . 1 1 40 40 LEU HB2 H 1 1.765 0.015 . 2 . . . . 40 LEU HB2 . 16467 1 436 . 1 1 40 40 LEU HB3 H 1 1.542 0.010 . 2 . . . . 40 LEU HB3 . 16467 1 437 . 1 1 40 40 LEU HD11 H 1 0.861 0.007 . . . . . . 40 LEU QD1 . 16467 1 438 . 1 1 40 40 LEU HD12 H 1 0.861 0.007 . . . . . . 40 LEU QD1 . 16467 1 439 . 1 1 40 40 LEU HD13 H 1 0.861 0.007 . . . . . . 40 LEU QD1 . 16467 1 440 . 1 1 40 40 LEU HD21 H 1 0.839 0.005 . . . . . . 40 LEU QD2 . 16467 1 441 . 1 1 40 40 LEU HD22 H 1 0.839 0.005 . . . . . . 40 LEU QD2 . 16467 1 442 . 1 1 40 40 LEU HD23 H 1 0.839 0.005 . . . . . . 40 LEU QD2 . 16467 1 443 . 1 1 40 40 LEU HG H 1 1.740 0.001 . 1 . . . . 40 LEU HG . 16467 1 444 . 1 1 40 40 LEU C C 13 178.988 0.000 . 1 . . . . 40 LEU C . 16467 1 445 . 1 1 40 40 LEU CA C 13 58.272 0.035 . 1 . . . . 40 LEU CA . 16467 1 446 . 1 1 40 40 LEU CB C 13 41.398 0.066 . 1 . . . . 40 LEU CB . 16467 1 447 . 1 1 40 40 LEU CD1 C 13 24.906 0.032 . 2 . . . . 40 LEU CD1 . 16467 1 448 . 1 1 40 40 LEU CD2 C 13 23.697 0.031 . 2 . . . . 40 LEU CD2 . 16467 1 449 . 1 1 40 40 LEU CG C 13 27.053 0.065 . 1 . . . . 40 LEU CG . 16467 1 450 . 1 1 40 40 LEU N N 15 119.181 0.053 . 1 . . . . 40 LEU N . 16467 1 451 . 1 1 41 41 GLY H H 1 7.950 0.011 . 1 . . . . 41 GLY H . 16467 1 452 . 1 1 41 41 GLY HA2 H 1 4.033 0.000 . . . . . . 41 GLY HA2 . 16467 1 453 . 1 1 41 41 GLY HA3 H 1 3.546 0.000 . . . . . . 41 GLY HA3 . 16467 1 454 . 1 1 41 41 GLY C C 13 175.775 0.000 . 1 . . . . 41 GLY C . 16467 1 455 . 1 1 41 41 GLY CA C 13 46.722 0.160 . 1 . . . . 41 GLY CA . 16467 1 456 . 1 1 41 41 GLY N N 15 106.044 0.039 . 1 . . . . 41 GLY N . 16467 1 457 . 1 1 42 42 LEU H H 1 8.193 0.009 . 1 . . . . 42 LEU H . 16467 1 458 . 1 1 42 42 LEU HA H 1 4.063 0.013 . 1 . . . . 42 LEU HA . 16467 1 459 . 1 1 42 42 LEU HB2 H 1 1.945 0.007 . 2 . . . . 42 LEU HB2 . 16467 1 460 . 1 1 42 42 LEU HB3 H 1 1.101 0.011 . 2 . . . . 42 LEU HB3 . 16467 1 461 . 1 1 42 42 LEU HD11 H 1 0.546 0.000 . . . . . . 42 LEU QD1 . 16467 1 462 . 1 1 42 42 LEU HD12 H 1 0.546 0.000 . . . . . . 42 LEU QD1 . 16467 1 463 . 1 1 42 42 LEU HD13 H 1 0.546 0.000 . . . . . . 42 LEU QD1 . 16467 1 464 . 1 1 42 42 LEU HD21 H 1 -0.045 0.000 . . . . . . 42 LEU QD2 . 16467 1 465 . 1 1 42 42 LEU HD22 H 1 -0.045 0.000 . . . . . . 42 LEU QD2 . 16467 1 466 . 1 1 42 42 LEU HD23 H 1 -0.045 0.000 . . . . . . 42 LEU QD2 . 16467 1 467 . 1 1 42 42 LEU HG H 1 1.182 0.010 . 1 . . . . 42 LEU HG . 16467 1 468 . 1 1 42 42 LEU C C 13 177.076 3.274 . 1 . . . . 42 LEU C . 16467 1 469 . 1 1 42 42 LEU CA C 13 57.751 0.112 . 1 . . . . 42 LEU CA . 16467 1 470 . 1 1 42 42 LEU CB C 13 41.882 0.055 . 1 . . . . 42 LEU CB . 16467 1 471 . 1 1 42 42 LEU CD1 C 13 23.586 0.038 . 2 . . . . 42 LEU CD1 . 16467 1 472 . 1 1 42 42 LEU CD2 C 13 25.082 0.074 . 2 . . . . 42 LEU CD2 . 16467 1 473 . 1 1 42 42 LEU CG C 13 25.745 0.005 . 1 . . . . 42 LEU CG . 16467 1 474 . 1 1 42 42 LEU N N 15 123.402 0.043 . 1 . . . . 42 LEU N . 16467 1 475 . 1 1 43 43 VAL H H 1 8.358 0.013 . 1 . . . . 43 VAL H . 16467 1 476 . 1 1 43 43 VAL HA H 1 3.498 0.008 . 1 . . . . 43 VAL HA . 16467 1 477 . 1 1 43 43 VAL HB H 1 2.068 0.009 . 1 . . . . 43 VAL HB . 16467 1 478 . 1 1 43 43 VAL HG11 H 1 0.803 0.006 . . . . . . 43 VAL QG1 . 16467 1 479 . 1 1 43 43 VAL HG12 H 1 0.803 0.006 . . . . . . 43 VAL QG1 . 16467 1 480 . 1 1 43 43 VAL HG13 H 1 0.803 0.006 . . . . . . 43 VAL QG1 . 16467 1 481 . 1 1 43 43 VAL HG21 H 1 0.906 0.009 . . . . . . 43 VAL QG2 . 16467 1 482 . 1 1 43 43 VAL HG22 H 1 0.906 0.009 . . . . . . 43 VAL QG2 . 16467 1 483 . 1 1 43 43 VAL HG23 H 1 0.906 0.009 . . . . . . 43 VAL QG2 . 16467 1 484 . 1 1 43 43 VAL C C 13 177.293 0.000 . 1 . . . . 43 VAL C . 16467 1 485 . 1 1 43 43 VAL CA C 13 66.904 0.043 . 1 . . . . 43 VAL CA . 16467 1 486 . 1 1 43 43 VAL CB C 13 31.604 0.007 . 1 . . . . 43 VAL CB . 16467 1 487 . 1 1 43 43 VAL CG1 C 13 21.958 0.065 . 2 . . . . 43 VAL CG1 . 16467 1 488 . 1 1 43 43 VAL CG2 C 13 22.081 0.051 . 2 . . . . 43 VAL CG2 . 16467 1 489 . 1 1 43 43 VAL N N 15 116.984 0.061 . 1 . . . . 43 VAL N . 16467 1 490 . 1 1 44 44 ASN H H 1 8.432 0.004 . 1 . . . . 44 ASN H . 16467 1 491 . 1 1 44 44 ASN HA H 1 4.679 0.030 . 1 . . . . 44 ASN HA . 16467 1 492 . 1 1 44 44 ASN HB2 H 1 3.007 0.007 . 2 . . . . 44 ASN HB2 . 16467 1 493 . 1 1 44 44 ASN HB3 H 1 2.764 0.020 . 2 . . . . 44 ASN HB3 . 16467 1 494 . 1 1 44 44 ASN C C 13 174.791 0.000 . 1 . . . . 44 ASN C . 16467 1 495 . 1 1 44 44 ASN CA C 13 53.213 0.079 . 1 . . . . 44 ASN CA . 16467 1 496 . 1 1 44 44 ASN CB C 13 38.332 0.024 . 1 . . . . 44 ASN CB . 16467 1 497 . 1 1 44 44 ASN N N 15 116.583 0.042 . 1 . . . . 44 ASN N . 16467 1 498 . 1 1 45 45 SER H H 1 7.566 0.012 . 1 . . . . 45 SER H . 16467 1 499 . 1 1 45 45 SER HA H 1 4.312 0.013 . 1 . . . . 45 SER HA . 16467 1 500 . 1 1 45 45 SER HB2 H 1 4.081 0.017 . 2 . . . . 45 SER QB . 16467 1 501 . 1 1 45 45 SER HB3 H 1 4.081 0.017 . 2 . . . . 45 SER QB . 16467 1 502 . 1 1 45 45 SER C C 13 174.559 0.000 . 1 . . . . 45 SER C . 16467 1 503 . 1 1 45 45 SER CA C 13 60.264 0.057 . 1 . . . . 45 SER CA . 16467 1 504 . 1 1 45 45 SER CB C 13 61.737 0.054 . 1 . . . . 45 SER CB . 16467 1 505 . 1 1 45 45 SER N N 15 110.114 0.058 . 1 . . . . 45 SER N . 16467 1 506 . 1 1 46 46 THR H H 1 8.797 0.008 . 1 . . . . 46 THR H . 16467 1 507 . 1 1 46 46 THR HA H 1 4.273 0.011 . 1 . . . . 46 THR HA . 16467 1 508 . 1 1 46 46 THR HB H 1 4.714 0.000 . 1 . . . . 46 THR HB . 16467 1 509 . 1 1 46 46 THR HG21 H 1 1.154 0.006 . . . . . . 46 THR QG2 . 16467 1 510 . 1 1 46 46 THR HG22 H 1 1.154 0.006 . . . . . . 46 THR QG2 . 16467 1 511 . 1 1 46 46 THR HG23 H 1 1.154 0.006 . . . . . . 46 THR QG2 . 16467 1 512 . 1 1 46 46 THR C C 13 174.399 0.000 . 1 . . . . 46 THR C . 16467 1 513 . 1 1 46 46 THR CA C 13 63.559 0.049 . 1 . . . . 46 THR CA . 16467 1 514 . 1 1 46 46 THR CB C 13 68.719 0.069 . 1 . . . . 46 THR CB . 16467 1 515 . 1 1 46 46 THR CG2 C 13 22.088 0.044 . 1 . . . . 46 THR CG2 . 16467 1 516 . 1 1 46 46 THR N N 15 113.096 0.053 . 1 . . . . 46 THR N . 16467 1 517 . 1 1 47 47 LEU H H 1 7.290 0.007 . 1 . . . . 47 LEU H . 16467 1 518 . 1 1 47 47 LEU HA H 1 4.805 0.009 . 1 . . . . 47 LEU HA . 16467 1 519 . 1 1 47 47 LEU HB2 H 1 1.566 0.008 . 2 . . . . 47 LEU HB2 . 16467 1 520 . 1 1 47 47 LEU HB3 H 1 1.305 0.008 . 2 . . . . 47 LEU HB3 . 16467 1 521 . 1 1 47 47 LEU HD11 H 1 1.056 0.008 . . . . . . 47 LEU QD1 . 16467 1 522 . 1 1 47 47 LEU HD12 H 1 1.056 0.008 . . . . . . 47 LEU QD1 . 16467 1 523 . 1 1 47 47 LEU HD13 H 1 1.056 0.008 . . . . . . 47 LEU QD1 . 16467 1 524 . 1 1 47 47 LEU HD21 H 1 0.919 0.015 . . . . . . 47 LEU QD2 . 16467 1 525 . 1 1 47 47 LEU HD22 H 1 0.919 0.015 . . . . . . 47 LEU QD2 . 16467 1 526 . 1 1 47 47 LEU HD23 H 1 0.919 0.015 . . . . . . 47 LEU QD2 . 16467 1 527 . 1 1 47 47 LEU HG H 1 2.286 0.009 . 1 . . . . 47 LEU HG . 16467 1 528 . 1 1 47 47 LEU C C 13 176.572 0.000 . 1 . . . . 47 LEU C . 16467 1 529 . 1 1 47 47 LEU CA C 13 53.137 0.047 . 1 . . . . 47 LEU CA . 16467 1 530 . 1 1 47 47 LEU CB C 13 45.813 0.034 . 1 . . . . 47 LEU CB . 16467 1 531 . 1 1 47 47 LEU CD1 C 13 26.945 0.114 . 2 . . . . 47 LEU CD1 . 16467 1 532 . 1 1 47 47 LEU CD2 C 13 24.976 0.026 . 2 . . . . 47 LEU CD2 . 16467 1 533 . 1 1 47 47 LEU CG C 13 27.239 0.009 . 1 . . . . 47 LEU CG . 16467 1 534 . 1 1 47 47 LEU N N 15 121.607 0.034 . 1 . . . . 47 LEU N . 16467 1 535 . 1 1 48 48 THR H H 1 8.648 0.012 . 1 . . . . 48 THR H . 16467 1 536 . 1 1 48 48 THR HA H 1 4.433 0.009 . 1 . . . . 48 THR HA . 16467 1 537 . 1 1 48 48 THR HB H 1 4.767 0.006 . 1 . . . . 48 THR HB . 16467 1 538 . 1 1 48 48 THR HG21 H 1 1.337 0.010 . . . . . . 48 THR QG2 . 16467 1 539 . 1 1 48 48 THR HG22 H 1 1.337 0.010 . . . . . . 48 THR QG2 . 16467 1 540 . 1 1 48 48 THR HG23 H 1 1.337 0.010 . . . . . . 48 THR QG2 . 16467 1 541 . 1 1 48 48 THR C C 13 175.348 0.000 . 1 . . . . 48 THR C . 16467 1 542 . 1 1 48 48 THR CA C 13 60.759 0.056 . 1 . . . . 48 THR CA . 16467 1 543 . 1 1 48 48 THR CB C 13 71.336 0.042 . 1 . . . . 48 THR CB . 16467 1 544 . 1 1 48 48 THR CG2 C 13 22.041 0.082 . 1 . . . . 48 THR CG2 . 16467 1 545 . 1 1 48 48 THR N N 15 112.448 0.035 . 1 . . . . 48 THR N . 16467 1 546 . 1 1 49 49 ILE H H 1 8.848 0.008 . 1 . . . . 49 ILE H . 16467 1 547 . 1 1 49 49 ILE HA H 1 3.499 0.009 . 1 . . . . 49 ILE HA . 16467 1 548 . 1 1 49 49 ILE HB H 1 1.717 0.032 . 1 . . . . 49 ILE HB . 16467 1 549 . 1 1 49 49 ILE HD11 H 1 0.884 0.008 . . . . . . 49 ILE QD1 . 16467 1 550 . 1 1 49 49 ILE HD12 H 1 0.884 0.008 . . . . . . 49 ILE QD1 . 16467 1 551 . 1 1 49 49 ILE HD13 H 1 0.884 0.008 . . . . . . 49 ILE QD1 . 16467 1 552 . 1 1 49 49 ILE HG12 H 1 1.790 0.003 . . . . . . 49 ILE QG1 . 16467 1 553 . 1 1 49 49 ILE HG13 H 1 1.790 0.003 . . . . . . 49 ILE QG1 . 16467 1 554 . 1 1 49 49 ILE HG21 H 1 1.013 0.007 . . . . . . 49 ILE QG2 . 16467 1 555 . 1 1 49 49 ILE HG22 H 1 1.013 0.007 . . . . . . 49 ILE QG2 . 16467 1 556 . 1 1 49 49 ILE HG23 H 1 1.013 0.007 . . . . . . 49 ILE QG2 . 16467 1 557 . 1 1 49 49 ILE C C 13 177.478 0.000 . 1 . . . . 49 ILE C . 16467 1 558 . 1 1 49 49 ILE CA C 13 66.346 0.080 . 1 . . . . 49 ILE CA . 16467 1 559 . 1 1 49 49 ILE CB C 13 38.274 0.035 . 1 . . . . 49 ILE CB . 16467 1 560 . 1 1 49 49 ILE CD1 C 13 14.047 0.046 . 1 . . . . 49 ILE CD1 . 16467 1 561 . 1 1 49 49 ILE CG1 C 13 31.511 0.043 . 1 . . . . 49 ILE CG1 . 16467 1 562 . 1 1 49 49 ILE CG2 C 13 19.111 0.081 . 1 . . . . 49 ILE CG2 . 16467 1 563 . 1 1 49 49 ILE N N 15 121.537 0.031 . 1 . . . . 49 ILE N . 16467 1 564 . 1 1 50 50 GLU H H 1 9.335 0.019 . 1 . . . . 50 GLU H . 16467 1 565 . 1 1 50 50 GLU HA H 1 3.899 0.009 . 1 . . . . 50 GLU HA . 16467 1 566 . 1 1 50 50 GLU HB2 H 1 2.130 0.001 . 2 . . . . 50 GLU HB2 . 16467 1 567 . 1 1 50 50 GLU HB3 H 1 1.960 0.006 . 2 . . . . 50 GLU HB3 . 16467 1 568 . 1 1 50 50 GLU HG2 H 1 2.593 0.007 . 2 . . . . 50 GLU HG2 . 16467 1 569 . 1 1 50 50 GLU HG3 H 1 2.146 0.004 . 2 . . . . 50 GLU HG3 . 16467 1 570 . 1 1 50 50 GLU C C 13 179.757 0.000 . 1 . . . . 50 GLU C . 16467 1 571 . 1 1 50 50 GLU CA C 13 61.859 0.060 . 1 . . . . 50 GLU CA . 16467 1 572 . 1 1 50 50 GLU CB C 13 28.500 0.003 . 1 . . . . 50 GLU CB . 16467 1 573 . 1 1 50 50 GLU CG C 13 37.906 0.040 . 1 . . . . 50 GLU CG . 16467 1 574 . 1 1 50 50 GLU N N 15 118.685 0.032 . 1 . . . . 50 GLU N . 16467 1 575 . 1 1 51 51 GLU H H 1 8.016 0.007 . 1 . . . . 51 GLU H . 16467 1 576 . 1 1 51 51 GLU HA H 1 4.134 0.009 . 1 . . . . 51 GLU HA . 16467 1 577 . 1 1 51 51 GLU HB2 H 1 2.283 0.011 . 2 . . . . 51 GLU HB2 . 16467 1 578 . 1 1 51 51 GLU HB3 H 1 1.881 0.018 . 2 . . . . 51 GLU HB3 . 16467 1 579 . 1 1 51 51 GLU HG2 H 1 2.361 0.031 . 2 . . . . 51 GLU HG2 . 16467 1 580 . 1 1 51 51 GLU HG3 H 1 2.260 0.008 . 2 . . . . 51 GLU HG3 . 16467 1 581 . 1 1 51 51 GLU C C 13 178.368 0.000 . 1 . . . . 51 GLU C . 16467 1 582 . 1 1 51 51 GLU CA C 13 59.094 0.083 . 1 . . . . 51 GLU CA . 16467 1 583 . 1 1 51 51 GLU CB C 13 30.742 0.047 . 1 . . . . 51 GLU CB . 16467 1 584 . 1 1 51 51 GLU CG C 13 37.044 0.198 . 1 . . . . 51 GLU CG . 16467 1 585 . 1 1 51 51 GLU N N 15 121.300 0.017 . 1 . . . . 51 GLU N . 16467 1 586 . 1 1 52 52 PHE H H 1 8.907 0.008 . 1 . . . . 52 PHE H . 16467 1 587 . 1 1 52 52 PHE HA H 1 3.939 0.011 . 1 . . . . 52 PHE HA . 16467 1 588 . 1 1 52 52 PHE HB2 H 1 3.458 0.009 . 2 . . . . 52 PHE HB2 . 16467 1 589 . 1 1 52 52 PHE HB3 H 1 2.994 0.006 . 2 . . . . 52 PHE HB3 . 16467 1 590 . 1 1 52 52 PHE HD1 H 1 7.092 0.017 . . . . . . 52 PHE QD . 16467 1 591 . 1 1 52 52 PHE HD2 H 1 7.092 0.017 . . . . . . 52 PHE QD . 16467 1 592 . 1 1 52 52 PHE HE1 H 1 7.092 0.017 . . . . . . 52 PHE QE . 16467 1 593 . 1 1 52 52 PHE HE2 H 1 7.092 0.017 . . . . . . 52 PHE QE . 16467 1 594 . 1 1 52 52 PHE HZ H 1 7.092 0.017 . . . . . . 52 PHE HZ . 16467 1 595 . 1 1 52 52 PHE C C 13 175.252 0.000 . 1 . . . . 52 PHE C . 16467 1 596 . 1 1 52 52 PHE CA C 13 62.132 0.072 . 1 . . . . 52 PHE CA . 16467 1 597 . 1 1 52 52 PHE CB C 13 39.629 0.030 . 1 . . . . 52 PHE CB . 16467 1 598 . 1 1 52 52 PHE N N 15 119.707 0.028 . 1 . . . . 52 PHE N . 16467 1 599 . 1 1 53 53 HIS H H 1 8.583 0.004 . 1 . . . . 53 HIS H . 16467 1 600 . 1 1 53 53 HIS HA H 1 3.633 0.013 . 1 . . . . 53 HIS HA . 16467 1 601 . 1 1 53 53 HIS HB2 H 1 3.335 0.010 . 2 . . . . 53 HIS HB2 . 16467 1 602 . 1 1 53 53 HIS HB3 H 1 3.027 0.011 . 2 . . . . 53 HIS HB3 . 16467 1 603 . 1 1 53 53 HIS C C 13 176.804 0.000 . 1 . . . . 53 HIS C . 16467 1 604 . 1 1 53 53 HIS CA C 13 61.099 0.050 . 1 . . . . 53 HIS CA . 16467 1 605 . 1 1 53 53 HIS CB C 13 31.324 0.055 . 1 . . . . 53 HIS CB . 16467 1 606 . 1 1 53 53 HIS N N 15 118.329 0.066 . 1 . . . . 53 HIS N . 16467 1 607 . 1 1 54 54 SER H H 1 8.010 0.003 . 1 . . . . 54 SER H . 16467 1 608 . 1 1 54 54 SER HA H 1 4.138 0.011 . 1 . . . . 54 SER HA . 16467 1 609 . 1 1 54 54 SER HB2 H 1 4.005 0.008 . 2 . . . . 54 SER QB . 16467 1 610 . 1 1 54 54 SER HB3 H 1 4.005 0.008 . 2 . . . . 54 SER QB . 16467 1 611 . 1 1 54 54 SER C C 13 177.937 0.000 . 1 . . . . 54 SER C . 16467 1 612 . 1 1 54 54 SER CA C 13 61.671 0.135 . 1 . . . . 54 SER CA . 16467 1 613 . 1 1 54 54 SER CB C 13 63.031 0.032 . 1 . . . . 54 SER CB . 16467 1 614 . 1 1 54 54 SER N N 15 112.722 0.035 . 1 . . . . 54 SER N . 16467 1 615 . 1 1 55 55 LYS H H 1 8.798 0.014 . 1 . . . . 55 LYS H . 16467 1 616 . 1 1 55 55 LYS HA H 1 4.002 0.010 . 1 . . . . 55 LYS HA . 16467 1 617 . 1 1 55 55 LYS HG2 H 1 1.508 0.000 . 2 . . . . 55 LYS QG . 16467 1 618 . 1 1 55 55 LYS HG3 H 1 1.508 0.000 . 2 . . . . 55 LYS QG . 16467 1 619 . 1 1 55 55 LYS C C 13 179.911 0.000 . 1 . . . . 55 LYS C . 16467 1 620 . 1 1 55 55 LYS CA C 13 59.134 0.037 . 1 . . . . 55 LYS CA . 16467 1 621 . 1 1 55 55 LYS CB C 13 33.023 0.104 . 1 . . . . 55 LYS CB . 16467 1 622 . 1 1 55 55 LYS CD C 13 29.112 0.000 . 1 . . . . 55 LYS CD . 16467 1 623 . 1 1 55 55 LYS CE C 13 41.799 0.000 . 1 . . . . 55 LYS CE . 16467 1 624 . 1 1 55 55 LYS CG C 13 26.559 0.000 . 1 . . . . 55 LYS CG . 16467 1 625 . 1 1 55 55 LYS N N 15 121.102 0.037 . 1 . . . . 55 LYS N . 16467 1 626 . 1 1 56 56 LEU H H 1 8.707 0.009 . 1 . . . . 56 LEU H . 16467 1 627 . 1 1 56 56 LEU HA H 1 3.629 0.010 . 1 . . . . 56 LEU HA . 16467 1 628 . 1 1 56 56 LEU HB2 H 1 1.398 0.005 . 2 . . . . 56 LEU HB2 . 16467 1 629 . 1 1 56 56 LEU HB3 H 1 0.838 0.012 . 2 . . . . 56 LEU HB3 . 16467 1 630 . 1 1 56 56 LEU HD11 H 1 0.724 0.000 . . . . . . 56 LEU MD1 . 16467 1 631 . 1 1 56 56 LEU HD12 H 1 0.724 0.000 . . . . . . 56 LEU MD1 . 16467 1 632 . 1 1 56 56 LEU HD13 H 1 0.724 0.000 . . . . . . 56 LEU MD1 . 16467 1 633 . 1 1 56 56 LEU HD21 H 1 0.724 0.000 . . . . . . 56 LEU MD2 . 16467 1 634 . 1 1 56 56 LEU HD22 H 1 0.724 0.000 . . . . . . 56 LEU MD2 . 16467 1 635 . 1 1 56 56 LEU HD23 H 1 0.724 0.000 . . . . . . 56 LEU MD2 . 16467 1 636 . 1 1 56 56 LEU HG H 1 1.275 0.003 . 1 . . . . 56 LEU HG . 16467 1 637 . 1 1 56 56 LEU C C 13 180.211 0.000 . 1 . . . . 56 LEU C . 16467 1 638 . 1 1 56 56 LEU CA C 13 57.744 0.126 . 1 . . . . 56 LEU CA . 16467 1 639 . 1 1 56 56 LEU CB C 13 41.103 0.025 . 1 . . . . 56 LEU CB . 16467 1 640 . 1 1 56 56 LEU CD1 C 13 24.736 0.051 . 2 . . . . 56 LEU CD1 . 16467 1 641 . 1 1 56 56 LEU CD2 C 13 26.932 0.086 . 2 . . . . 56 LEU CD2 . 16467 1 642 . 1 1 56 56 LEU N N 15 122.118 0.045 . 1 . . . . 56 LEU N . 16467 1 643 . 1 1 57 57 GLN H H 1 7.787 0.009 . 1 . . . . 57 GLN H . 16467 1 644 . 1 1 57 57 GLN HA H 1 3.867 0.009 . 1 . . . . 57 GLN HA . 16467 1 645 . 1 1 57 57 GLN CA C 13 59.873 0.035 . 1 . . . . 57 GLN CA . 16467 1 646 . 1 1 57 57 GLN CB C 13 29.102 0.000 . 1 . . . . 57 GLN CB . 16467 1 647 . 1 1 57 57 GLN N N 15 120.503 0.072 . 1 . . . . 57 GLN N . 16467 1 648 . 1 1 58 58 GLU H H 1 7.772 0.010 . 1 . . . . 58 GLU H . 16467 1 649 . 1 1 58 58 GLU HA H 1 3.942 0.005 . 1 . . . . 58 GLU HA . 16467 1 650 . 1 1 58 58 GLU HB2 H 1 2.031 0.022 . 2 . . . . 58 GLU QB . 16467 1 651 . 1 1 58 58 GLU HB3 H 1 2.031 0.022 . 2 . . . . 58 GLU QB . 16467 1 652 . 1 1 58 58 GLU HG2 H 1 2.355 0.003 . 2 . . . . 58 GLU HG2 . 16467 1 653 . 1 1 58 58 GLU HG3 H 1 2.161 0.014 . 2 . . . . 58 GLU HG3 . 16467 1 654 . 1 1 58 58 GLU C C 13 177.805 0.000 . 1 . . . . 58 GLU C . 16467 1 655 . 1 1 58 58 GLU CA C 13 58.829 0.107 . 1 . . . . 58 GLU CA . 16467 1 656 . 1 1 58 58 GLU CB C 13 29.968 0.000 . 1 . . . . 58 GLU CB . 16467 1 657 . 1 1 58 58 GLU CG C 13 36.206 0.014 . 1 . . . . 58 GLU CG . 16467 1 658 . 1 1 59 59 ALA H H 1 7.579 0.011 . 1 . . . . 59 ALA H . 16467 1 659 . 1 1 59 59 ALA HA H 1 4.166 0.012 . 1 . . . . 59 ALA HA . 16467 1 660 . 1 1 59 59 ALA HB1 H 1 1.328 0.011 . . . . . . 59 ALA QB . 16467 1 661 . 1 1 59 59 ALA HB2 H 1 1.328 0.011 . . . . . . 59 ALA QB . 16467 1 662 . 1 1 59 59 ALA HB3 H 1 1.328 0.011 . . . . . . 59 ALA QB . 16467 1 663 . 1 1 59 59 ALA C C 13 178.195 0.000 . 1 . . . . 59 ALA C . 16467 1 664 . 1 1 59 59 ALA CA C 13 53.965 0.045 . 1 . . . . 59 ALA CA . 16467 1 665 . 1 1 59 59 ALA CB C 13 19.367 0.016 . 1 . . . . 59 ALA CB . 16467 1 666 . 1 1 59 59 ALA N N 15 117.222 0.022 . 1 . . . . 59 ALA N . 16467 1 667 . 1 1 60 60 THR H H 1 7.292 0.007 . 1 . . . . 60 THR H . 16467 1 668 . 1 1 60 60 THR HG21 H 1 1.327 0.000 . . . . . . 60 THR QG2 . 16467 1 669 . 1 1 60 60 THR HG22 H 1 1.327 0.000 . . . . . . 60 THR QG2 . 16467 1 670 . 1 1 60 60 THR HG23 H 1 1.327 0.000 . . . . . . 60 THR QG2 . 16467 1 671 . 1 1 60 60 THR CA C 13 61.604 0.000 . 1 . . . . 60 THR CA . 16467 1 672 . 1 1 60 60 THR N N 15 102.499 0.076 . 1 . . . . 60 THR N . 16467 1 673 . 1 1 61 61 ASN H H 1 8.363 0.000 . 1 . . . . 61 ASN H . 16467 1 674 . 1 1 61 61 ASN HA H 1 4.452 0.001 . 1 . . . . 61 ASN HA . 16467 1 675 . 1 1 61 61 ASN HB2 H 1 3.047 0.000 . 2 . . . . 61 ASN HB2 . 16467 1 676 . 1 1 61 61 ASN HB3 H 1 2.725 0.000 . 2 . . . . 61 ASN HB3 . 16467 1 677 . 1 1 61 61 ASN CA C 13 54.296 0.020 . 1 . . . . 61 ASN CA . 16467 1 678 . 1 1 64 64 LEU HA H 1 4.559 0.012 . 1 . . . . 64 LEU HA . 16467 1 679 . 1 1 64 64 LEU HB2 H 1 1.684 0.002 . 2 . . . . 64 LEU HB2 . 16467 1 680 . 1 1 64 64 LEU HB3 H 1 1.551 0.007 . 2 . . . . 64 LEU HB3 . 16467 1 681 . 1 1 64 64 LEU HD11 H 1 0.817 0.006 . . . . . . 64 LEU QD1 . 16467 1 682 . 1 1 64 64 LEU HD12 H 1 0.817 0.006 . . . . . . 64 LEU QD1 . 16467 1 683 . 1 1 64 64 LEU HD13 H 1 0.817 0.006 . . . . . . 64 LEU QD1 . 16467 1 684 . 1 1 64 64 LEU HD21 H 1 1.012 0.003 . . . . . . 64 LEU QD2 . 16467 1 685 . 1 1 64 64 LEU HD22 H 1 1.012 0.003 . . . . . . 64 LEU QD2 . 16467 1 686 . 1 1 64 64 LEU HD23 H 1 1.012 0.003 . . . . . . 64 LEU QD2 . 16467 1 687 . 1 1 64 64 LEU HG H 1 1.360 0.000 . 1 . . . . 64 LEU HG . 16467 1 688 . 1 1 64 64 LEU C C 13 177.318 0.000 . 1 . . . . 64 LEU C . 16467 1 689 . 1 1 64 64 LEU CA C 13 54.483 0.040 . 1 . . . . 64 LEU CA . 16467 1 690 . 1 1 64 64 LEU CB C 13 42.835 0.045 . 1 . . . . 64 LEU CB . 16467 1 691 . 1 1 64 64 LEU CD1 C 13 26.326 0.082 . 2 . . . . 64 LEU CD1 . 16467 1 692 . 1 1 64 64 LEU CD2 C 13 23.822 0.020 . 2 . . . . 64 LEU CD2 . 16467 1 693 . 1 1 65 65 ARG H H 1 8.181 0.006 . 1 . . . . 65 ARG H . 16467 1 694 . 1 1 65 65 ARG HA H 1 4.653 0.000 . 1 . . . . 65 ARG HA . 16467 1 695 . 1 1 65 65 ARG CA C 13 54.930 0.072 . 1 . . . . 65 ARG CA . 16467 1 696 . 1 1 65 65 ARG CB C 13 29.007 0.000 . 1 . . . . 65 ARG CB . 16467 1 697 . 1 1 65 65 ARG N N 15 122.995 0.034 . 1 . . . . 65 ARG N . 16467 1 698 . 1 1 66 66 PRO HA H 1 4.305 0.006 . 1 . . . . 66 PRO HA . 16467 1 699 . 1 1 66 66 PRO HB2 H 1 2.435 0.004 . 2 . . . . 66 PRO HB2 . 16467 1 700 . 1 1 66 66 PRO HB3 H 1 1.934 0.009 . 2 . . . . 66 PRO HB3 . 16467 1 701 . 1 1 66 66 PRO HG2 H 1 2.121 0.000 . 2 . . . . 66 PRO QG . 16467 1 702 . 1 1 66 66 PRO HG3 H 1 2.121 0.000 . 2 . . . . 66 PRO QG . 16467 1 703 . 1 1 66 66 PRO C C 13 178.057 0.000 . 1 . . . . 66 PRO C . 16467 1 704 . 1 1 66 66 PRO CA C 13 65.634 0.049 . 1 . . . . 66 PRO CA . 16467 1 705 . 1 1 66 66 PRO CB C 13 31.765 0.000 . 1 . . . . 66 PRO CB . 16467 1 706 . 1 1 66 66 PRO CG C 13 27.682 0.000 . 1 . . . . 66 PRO CG . 16467 1 707 . 1 1 67 67 PHE H H 1 7.610 0.005 . 1 . . . . 67 PHE H . 16467 1 708 . 1 1 67 67 PHE HA H 1 4.495 0.012 . 1 . . . . 67 PHE HA . 16467 1 709 . 1 1 67 67 PHE HB2 H 1 3.414 0.007 . 2 . . . . 67 PHE HB2 . 16467 1 710 . 1 1 67 67 PHE HB3 H 1 2.825 0.016 . 2 . . . . 67 PHE HB3 . 16467 1 711 . 1 1 67 67 PHE HD1 H 1 7.090 0.010 . . . . . . 67 PHE QD . 16467 1 712 . 1 1 67 67 PHE HD2 H 1 7.090 0.010 . . . . . . 67 PHE QD . 16467 1 713 . 1 1 67 67 PHE HE1 H 1 7.090 0.010 . . . . . . 67 PHE QE . 16467 1 714 . 1 1 67 67 PHE HE2 H 1 7.090 0.010 . . . . . . 67 PHE QE . 16467 1 715 . 1 1 67 67 PHE HZ H 1 7.090 0.010 . . . . . . 67 PHE HZ . 16467 1 716 . 1 1 67 67 PHE C C 13 173.919 0.000 . 1 . . . . 67 PHE C . 16467 1 717 . 1 1 67 67 PHE CA C 13 58.089 0.042 . 1 . . . . 67 PHE CA . 16467 1 718 . 1 1 67 67 PHE CB C 13 39.813 0.102 . 1 . . . . 67 PHE CB . 16467 1 719 . 1 1 67 67 PHE N N 15 115.695 0.037 . 1 . . . . 67 PHE N . 16467 1 720 . 1 1 68 68 VAL H H 1 7.998 0.010 . 1 . . . . 68 VAL H . 16467 1 721 . 1 1 68 68 VAL HA H 1 3.300 0.019 . 1 . . . . 68 VAL HA . 16467 1 722 . 1 1 68 68 VAL HB H 1 2.296 0.009 . 1 . . . . 68 VAL HB . 16467 1 723 . 1 1 68 68 VAL HG11 H 1 1.180 0.007 . . . . . . 68 VAL QG1 . 16467 1 724 . 1 1 68 68 VAL HG12 H 1 1.180 0.007 . . . . . . 68 VAL QG1 . 16467 1 725 . 1 1 68 68 VAL HG13 H 1 1.180 0.007 . . . . . . 68 VAL QG1 . 16467 1 726 . 1 1 68 68 VAL HG21 H 1 1.361 0.005 . . . . . . 68 VAL QG2 . 16467 1 727 . 1 1 68 68 VAL HG22 H 1 1.361 0.005 . . . . . . 68 VAL QG2 . 16467 1 728 . 1 1 68 68 VAL HG23 H 1 1.361 0.005 . . . . . . 68 VAL QG2 . 16467 1 729 . 1 1 68 68 VAL C C 13 176.471 0.000 . 1 . . . . 68 VAL C . 16467 1 730 . 1 1 68 68 VAL CA C 13 67.255 0.100 . 1 . . . . 68 VAL CA . 16467 1 731 . 1 1 68 68 VAL CB C 13 32.165 0.082 . 1 . . . . 68 VAL CB . 16467 1 732 . 1 1 68 68 VAL CG1 C 13 22.345 0.023 . 2 . . . . 68 VAL CG1 . 16467 1 733 . 1 1 68 68 VAL CG2 C 13 26.246 0.055 . 2 . . . . 68 VAL CG2 . 16467 1 734 . 1 1 68 68 VAL N N 15 116.165 0.050 . 1 . . . . 68 VAL N . 16467 1 735 . 1 1 69 69 ILE H H 1 7.445 0.011 . 1 . . . . 69 ILE H . 16467 1 736 . 1 1 69 69 ILE HA H 1 3.787 0.019 . 1 . . . . 69 ILE HA . 16467 1 737 . 1 1 69 69 ILE HB H 1 2.023 0.006 . 1 . . . . 69 ILE HB . 16467 1 738 . 1 1 69 69 ILE HD11 H 1 0.510 0.008 . . . . . . 69 ILE QD1 . 16467 1 739 . 1 1 69 69 ILE HD12 H 1 0.510 0.008 . . . . . . 69 ILE QD1 . 16467 1 740 . 1 1 69 69 ILE HD13 H 1 0.510 0.008 . . . . . . 69 ILE QD1 . 16467 1 741 . 1 1 69 69 ILE HG12 H 1 1.338 0.005 . 2 . . . . 69 ILE HG12 . 16467 1 742 . 1 1 69 69 ILE HG13 H 1 0.766 0.006 . 2 . . . . 69 ILE HG13 . 16467 1 743 . 1 1 69 69 ILE HG21 H 1 0.833 0.009 . . . . . . 69 ILE QG2 . 16467 1 744 . 1 1 69 69 ILE HG22 H 1 0.833 0.009 . . . . . . 69 ILE QG2 . 16467 1 745 . 1 1 69 69 ILE HG23 H 1 0.833 0.009 . . . . . . 69 ILE QG2 . 16467 1 746 . 1 1 69 69 ILE CA C 13 67.328 0.093 . 1 . . . . 69 ILE CA . 16467 1 747 . 1 1 69 69 ILE CB C 13 34.905 0.000 . 1 . . . . 69 ILE CB . 16467 1 748 . 1 1 69 69 ILE CD1 C 13 11.825 0.069 . 1 . . . . 69 ILE CD1 . 16467 1 749 . 1 1 69 69 ILE CG1 C 13 29.543 0.010 . 1 . . . . 69 ILE CG1 . 16467 1 750 . 1 1 69 69 ILE CG2 C 13 16.903 0.023 . 1 . . . . 69 ILE CG2 . 16467 1 751 . 1 1 69 69 ILE N N 15 115.514 0.052 . 1 . . . . 69 ILE N . 16467 1 752 . 1 1 70 70 PRO HA H 1 4.144 0.009 . 1 . . . . 70 PRO HA . 16467 1 753 . 1 1 70 70 PRO HB2 H 1 2.263 0.008 . 2 . . . . 70 PRO HB2 . 16467 1 754 . 1 1 70 70 PRO HB3 H 1 1.829 0.011 . 2 . . . . 70 PRO HB3 . 16467 1 755 . 1 1 70 70 PRO HD2 H 1 3.379 0.006 . 2 . . . . 70 PRO HD2 . 16467 1 756 . 1 1 70 70 PRO HD3 H 1 4.021 0.002 . 2 . . . . 70 PRO HD3 . 16467 1 757 . 1 1 70 70 PRO HG2 H 1 2.202 0.005 . 2 . . . . 70 PRO HG2 . 16467 1 758 . 1 1 70 70 PRO HG3 H 1 2.055 0.008 . 2 . . . . 70 PRO HG3 . 16467 1 759 . 1 1 70 70 PRO C C 13 179.553 0.000 . 1 . . . . 70 PRO C . 16467 1 760 . 1 1 70 70 PRO CA C 13 65.765 0.071 . 1 . . . . 70 PRO CA . 16467 1 761 . 1 1 70 70 PRO CB C 13 30.555 0.033 . 1 . . . . 70 PRO CB . 16467 1 762 . 1 1 70 70 PRO CD C 13 48.837 0.032 . 1 . . . . 70 PRO CD . 16467 1 763 . 1 1 70 70 PRO CG C 13 27.683 0.101 . 1 . . . . 70 PRO CG . 16467 1 764 . 1 1 71 71 PHE H H 1 8.012 0.006 . 1 . . . . 71 PHE H . 16467 1 765 . 1 1 71 71 PHE HA H 1 3.808 0.015 . 1 . . . . 71 PHE HA . 16467 1 766 . 1 1 71 71 PHE HB2 H 1 2.522 0.013 . 2 . . . . 71 PHE HB2 . 16467 1 767 . 1 1 71 71 PHE HB3 H 1 2.045 0.017 . 2 . . . . 71 PHE HB3 . 16467 1 768 . 1 1 71 71 PHE HD1 H 1 6.939 0.003 . . . . . . 71 PHE QD . 16467 1 769 . 1 1 71 71 PHE HD2 H 1 6.939 0.003 . . . . . . 71 PHE QD . 16467 1 770 . 1 1 71 71 PHE HE1 H 1 6.939 0.003 . . . . . . 71 PHE QE . 16467 1 771 . 1 1 71 71 PHE HE2 H 1 6.939 0.003 . . . . . . 71 PHE QE . 16467 1 772 . 1 1 71 71 PHE HZ H 1 6.939 0.003 . . . . . . 71 PHE HZ . 16467 1 773 . 1 1 71 71 PHE C C 13 178.488 0.000 . 1 . . . . 71 PHE C . 16467 1 774 . 1 1 71 71 PHE CA C 13 61.835 0.051 . 1 . . . . 71 PHE CA . 16467 1 775 . 1 1 71 71 PHE CB C 13 38.936 0.026 . 1 . . . . 71 PHE CB . 16467 1 776 . 1 1 71 71 PHE N N 15 119.495 0.034 . 1 . . . . 71 PHE N . 16467 1 777 . 1 1 72 72 LEU H H 1 8.649 0.012 . 1 . . . . 72 LEU H . 16467 1 778 . 1 1 72 72 LEU HA H 1 3.802 0.013 . 1 . . . . 72 LEU HA . 16467 1 779 . 1 1 72 72 LEU HB2 H 1 2.325 0.021 . 2 . . . . 72 LEU HB2 . 16467 1 780 . 1 1 72 72 LEU HB3 H 1 1.170 0.006 . 2 . . . . 72 LEU HB3 . 16467 1 781 . 1 1 72 72 LEU HD11 H 1 1.066 0.000 . . . . . . 72 LEU MD1 . 16467 1 782 . 1 1 72 72 LEU HD12 H 1 1.066 0.000 . . . . . . 72 LEU MD1 . 16467 1 783 . 1 1 72 72 LEU HD13 H 1 1.066 0.000 . . . . . . 72 LEU MD1 . 16467 1 784 . 1 1 72 72 LEU HD21 H 1 0.930 0.009 . . . . . . 72 LEU QD2 . 16467 1 785 . 1 1 72 72 LEU HD22 H 1 0.930 0.009 . . . . . . 72 LEU QD2 . 16467 1 786 . 1 1 72 72 LEU HD23 H 1 0.930 0.009 . . . . . . 72 LEU QD2 . 16467 1 787 . 1 1 72 72 LEU HG H 1 2.298 0.000 . 1 . . . . 72 LEU HG . 16467 1 788 . 1 1 72 72 LEU C C 13 178.804 0.000 . 1 . . . . 72 LEU C . 16467 1 789 . 1 1 72 72 LEU CA C 13 58.102 0.063 . 1 . . . . 72 LEU CA . 16467 1 790 . 1 1 72 72 LEU CB C 13 42.623 0.041 . 1 . . . . 72 LEU CB . 16467 1 791 . 1 1 72 72 LEU CD1 C 13 27.163 0.036 . 2 . . . . 72 LEU CD1 . 16467 1 792 . 1 1 72 72 LEU CD2 C 13 24.027 0.043 . 2 . . . . 72 LEU CD2 . 16467 1 793 . 1 1 72 72 LEU CG C 13 27.234 0.000 . 1 . . . . 72 LEU CG . 16467 1 794 . 1 1 72 72 LEU N N 15 121.002 0.024 . 1 . . . . 72 LEU N . 16467 1 795 . 1 1 73 73 LYS H H 1 8.722 0.008 . 1 . . . . 73 LYS H . 16467 1 796 . 1 1 73 73 LYS HA H 1 3.748 0.017 . 1 . . . . 73 LYS HA . 16467 1 797 . 1 1 73 73 LYS HB2 H 1 1.807 0.016 . 2 . . . . 73 LYS QB . 16467 1 798 . 1 1 73 73 LYS HB3 H 1 1.807 0.016 . 2 . . . . 73 LYS QB . 16467 1 799 . 1 1 73 73 LYS HD2 H 1 1.617 0.007 . 2 . . . . 73 LYS QD . 16467 1 800 . 1 1 73 73 LYS HD3 H 1 1.617 0.007 . 2 . . . . 73 LYS QD . 16467 1 801 . 1 1 73 73 LYS HE2 H 1 2.819 0.009 . 2 . . . . 73 LYS QE . 16467 1 802 . 1 1 73 73 LYS HE3 H 1 2.819 0.009 . 2 . . . . 73 LYS QE . 16467 1 803 . 1 1 73 73 LYS HG2 H 1 1.595 0.009 . 2 . . . . 73 LYS HG2 . 16467 1 804 . 1 1 73 73 LYS HG3 H 1 1.381 0.006 . 2 . . . . 73 LYS HG3 . 16467 1 805 . 1 1 73 73 LYS C C 13 178.645 0.000 . 1 . . . . 73 LYS C . 16467 1 806 . 1 1 73 73 LYS CA C 13 59.834 0.073 . 1 . . . . 73 LYS CA . 16467 1 807 . 1 1 73 73 LYS CB C 13 32.383 0.037 . 1 . . . . 73 LYS CB . 16467 1 808 . 1 1 73 73 LYS CD C 13 29.401 0.116 . 1 . . . . 73 LYS CD . 16467 1 809 . 1 1 73 73 LYS CE C 13 42.172 0.000 . 1 . . . . 73 LYS CE . 16467 1 810 . 1 1 73 73 LYS CG C 13 26.611 0.261 . 1 . . . . 73 LYS CG . 16467 1 811 . 1 1 73 73 LYS N N 15 119.152 0.031 . 1 . . . . 73 LYS N . 16467 1 812 . 1 1 74 74 ALA H H 1 7.448 0.006 . 1 . . . . 74 ALA H . 16467 1 813 . 1 1 74 74 ALA HA H 1 4.133 0.011 . 1 . . . . 74 ALA HA . 16467 1 814 . 1 1 74 74 ALA HB1 H 1 1.307 0.010 . . . . . . 74 ALA QB . 16467 1 815 . 1 1 74 74 ALA HB2 H 1 1.307 0.010 . . . . . . 74 ALA QB . 16467 1 816 . 1 1 74 74 ALA HB3 H 1 1.307 0.010 . . . . . . 74 ALA QB . 16467 1 817 . 1 1 74 74 ALA C C 13 179.051 0.000 . 1 . . . . 74 ALA C . 16467 1 818 . 1 1 74 74 ALA CA C 13 53.985 0.054 . 1 . . . . 74 ALA CA . 16467 1 819 . 1 1 74 74 ALA CB C 13 19.199 0.028 . 1 . . . . 74 ALA CB . 16467 1 820 . 1 1 74 74 ALA N N 15 115.694 0.019 . 1 . . . . 74 ALA N . 16467 1 821 . 1 1 75 75 ASN H H 1 7.328 0.006 . 1 . . . . 75 ASN H . 16467 1 822 . 1 1 75 75 ASN HA H 1 4.822 0.010 . 1 . . . . 75 ASN HA . 16467 1 823 . 1 1 75 75 ASN HB2 H 1 2.066 0.013 . 2 . . . . 75 ASN HB2 . 16467 1 824 . 1 1 75 75 ASN HB3 H 1 1.756 0.008 . 2 . . . . 75 ASN HB3 . 16467 1 825 . 1 1 75 75 ASN C C 13 175.823 0.000 . 1 . . . . 75 ASN C . 16467 1 826 . 1 1 75 75 ASN CA C 13 55.160 0.033 . 1 . . . . 75 ASN CA . 16467 1 827 . 1 1 75 75 ASN CB C 13 41.609 0.028 . 1 . . . . 75 ASN CB . 16467 1 828 . 1 1 75 75 ASN N N 15 111.481 0.023 . 1 . . . . 75 ASN N . 16467 1 829 . 1 1 76 76 LEU H H 1 9.334 0.011 . 1 . . . . 76 LEU H . 16467 1 830 . 1 1 76 76 LEU HA H 1 4.100 0.010 . 1 . . . . 76 LEU HA . 16467 1 831 . 1 1 76 76 LEU HB2 H 1 2.031 0.009 . 2 . . . . 76 LEU HB2 . 16467 1 832 . 1 1 76 76 LEU HB3 H 1 1.358 0.010 . 2 . . . . 76 LEU HB3 . 16467 1 833 . 1 1 76 76 LEU HD21 H 1 0.824 0.006 . . . . . . 76 LEU QD2 . 16467 1 834 . 1 1 76 76 LEU HD22 H 1 0.824 0.006 . . . . . . 76 LEU QD2 . 16467 1 835 . 1 1 76 76 LEU HD23 H 1 0.824 0.006 . . . . . . 76 LEU QD2 . 16467 1 836 . 1 1 76 76 LEU HG H 1 1.461 0.006 . 1 . . . . 76 LEU HG . 16467 1 837 . 1 1 76 76 LEU CA C 13 59.591 0.066 . 1 . . . . 76 LEU CA . 16467 1 838 . 1 1 76 76 LEU CB C 13 39.878 0.033 . 1 . . . . 76 LEU CB . 16467 1 839 . 1 1 76 76 LEU CD2 C 13 26.683 0.071 . 2 . . . . 76 LEU CD2 . 16467 1 840 . 1 1 76 76 LEU N N 15 123.756 0.027 . 1 . . . . 76 LEU N . 16467 1 841 . 1 1 77 77 PRO HA H 1 4.530 0.006 . 1 . . . . 77 PRO HA . 16467 1 842 . 1 1 77 77 PRO HB2 H 1 2.409 0.008 . 2 . . . . 77 PRO HB2 . 16467 1 843 . 1 1 77 77 PRO HB3 H 1 1.688 0.011 . 2 . . . . 77 PRO HB3 . 16467 1 844 . 1 1 77 77 PRO HD2 H 1 3.623 0.013 . 2 . . . . 77 PRO HD2 . 16467 1 845 . 1 1 77 77 PRO HD3 H 1 3.174 0.010 . 2 . . . . 77 PRO HD3 . 16467 1 846 . 1 1 77 77 PRO HG2 H 1 2.073 0.011 . 2 . . . . 77 PRO HG2 . 16467 1 847 . 1 1 77 77 PRO HG3 H 1 1.948 0.004 . 2 . . . . 77 PRO HG3 . 16467 1 848 . 1 1 77 77 PRO C C 13 179.066 0.000 . 1 . . . . 77 PRO C . 16467 1 849 . 1 1 77 77 PRO CA C 13 66.066 0.047 . 1 . . . . 77 PRO CA . 16467 1 850 . 1 1 77 77 PRO CB C 13 31.247 0.028 . 1 . . . . 77 PRO CB . 16467 1 851 . 1 1 77 77 PRO CD C 13 51.217 0.039 . 1 . . . . 77 PRO CD . 16467 1 852 . 1 1 77 77 PRO CG C 13 28.672 0.000 . 1 . . . . 77 PRO CG . 16467 1 853 . 1 1 78 78 LEU H H 1 7.049 0.006 . 1 . . . . 78 LEU H . 16467 1 854 . 1 1 78 78 LEU HA H 1 4.050 0.011 . 1 . . . . 78 LEU HA . 16467 1 855 . 1 1 78 78 LEU HB2 H 1 2.028 0.005 . 2 . . . . 78 LEU HB2 . 16467 1 856 . 1 1 78 78 LEU HB3 H 1 1.562 0.010 . 2 . . . . 78 LEU HB3 . 16467 1 857 . 1 1 78 78 LEU HD11 H 1 1.003 0.000 . . . . . . 78 LEU MD1 . 16467 1 858 . 1 1 78 78 LEU HD12 H 1 1.003 0.000 . . . . . . 78 LEU MD1 . 16467 1 859 . 1 1 78 78 LEU HD13 H 1 1.003 0.000 . . . . . . 78 LEU MD1 . 16467 1 860 . 1 1 78 78 LEU HD21 H 1 1.003 0.000 . . . . . . 78 LEU MD2 . 16467 1 861 . 1 1 78 78 LEU HD22 H 1 1.003 0.000 . . . . . . 78 LEU MD2 . 16467 1 862 . 1 1 78 78 LEU HD23 H 1 1.003 0.000 . . . . . . 78 LEU MD2 . 16467 1 863 . 1 1 78 78 LEU HG H 1 1.763 0.005 . 1 . . . . 78 LEU HG . 16467 1 864 . 1 1 78 78 LEU C C 13 179.503 0.000 . 1 . . . . 78 LEU C . 16467 1 865 . 1 1 78 78 LEU CA C 13 57.687 0.036 . 1 . . . . 78 LEU CA . 16467 1 866 . 1 1 78 78 LEU CB C 13 41.711 0.026 . 1 . . . . 78 LEU CB . 16467 1 867 . 1 1 78 78 LEU CD1 C 13 25.316 0.082 . 2 . . . . 78 LEU CD1 . 16467 1 868 . 1 1 78 78 LEU CD2 C 13 23.163 0.045 . 2 . . . . 78 LEU CD2 . 16467 1 869 . 1 1 78 78 LEU N N 15 115.007 0.024 . 1 . . . . 78 LEU N . 16467 1 870 . 1 1 79 79 LEU H H 1 7.324 0.010 . 1 . . . . 79 LEU H . 16467 1 871 . 1 1 79 79 LEU HA H 1 4.086 0.014 . 1 . . . . 79 LEU HA . 16467 1 872 . 1 1 79 79 LEU HB2 H 1 2.011 0.011 . 2 . . . . 79 LEU HB2 . 16467 1 873 . 1 1 79 79 LEU HB3 H 1 1.411 0.008 . 2 . . . . 79 LEU HB3 . 16467 1 874 . 1 1 79 79 LEU HD11 H 1 0.911 0.013 . . . . . . 79 LEU QD1 . 16467 1 875 . 1 1 79 79 LEU HD12 H 1 0.911 0.013 . . . . . . 79 LEU QD1 . 16467 1 876 . 1 1 79 79 LEU HD13 H 1 0.911 0.013 . . . . . . 79 LEU QD1 . 16467 1 877 . 1 1 79 79 LEU HD21 H 1 0.771 0.005 . . . . . . 79 LEU QD2 . 16467 1 878 . 1 1 79 79 LEU HD22 H 1 0.771 0.005 . . . . . . 79 LEU QD2 . 16467 1 879 . 1 1 79 79 LEU HD23 H 1 0.771 0.005 . . . . . . 79 LEU QD2 . 16467 1 880 . 1 1 79 79 LEU C C 13 178.350 0.000 . 1 . . . . 79 LEU C . 16467 1 881 . 1 1 79 79 LEU CA C 13 57.600 0.040 . 1 . . . . 79 LEU CA . 16467 1 882 . 1 1 79 79 LEU CB C 13 42.447 0.022 . 1 . . . . 79 LEU CB . 16467 1 883 . 1 1 79 79 LEU CD1 C 13 24.608 0.093 . 2 . . . . 79 LEU CD1 . 16467 1 884 . 1 1 79 79 LEU CD2 C 13 26.683 0.105 . 2 . . . . 79 LEU CD2 . 16467 1 885 . 1 1 79 79 LEU N N 15 121.540 0.028 . 1 . . . . 79 LEU N . 16467 1 886 . 1 1 80 80 GLN H H 1 8.368 0.009 . 1 . . . . 80 GLN H . 16467 1 887 . 1 1 80 80 GLN HA H 1 3.794 0.007 . 1 . . . . 80 GLN HA . 16467 1 888 . 1 1 80 80 GLN HB2 H 1 2.219 0.004 . 2 . . . . 80 GLN QB . 16467 1 889 . 1 1 80 80 GLN HB3 H 1 2.219 0.004 . 2 . . . . 80 GLN QB . 16467 1 890 . 1 1 80 80 GLN HG2 H 1 2.494 0.005 . 2 . . . . 80 GLN HG2 . 16467 1 891 . 1 1 80 80 GLN HG3 H 1 2.377 0.008 . 2 . . . . 80 GLN HG3 . 16467 1 892 . 1 1 80 80 GLN C C 13 178.333 0.000 . 1 . . . . 80 GLN C . 16467 1 893 . 1 1 80 80 GLN CA C 13 59.714 0.022 . 1 . . . . 80 GLN CA . 16467 1 894 . 1 1 80 80 GLN CB C 13 27.779 0.023 . 1 . . . . 80 GLN CB . 16467 1 895 . 1 1 80 80 GLN CG C 13 34.200 0.000 . 1 . . . . 80 GLN CG . 16467 1 896 . 1 1 80 80 GLN N N 15 117.258 0.047 . 1 . . . . 80 GLN N . 16467 1 897 . 1 1 81 81 ARG H H 1 8.008 0.006 . 1 . . . . 81 ARG H . 16467 1 898 . 1 1 81 81 ARG HA H 1 4.060 0.012 . 1 . . . . 81 ARG HA . 16467 1 899 . 1 1 81 81 ARG HB2 H 1 1.853 0.000 . 2 . . . . 81 ARG QB . 16467 1 900 . 1 1 81 81 ARG HB3 H 1 1.853 0.000 . 2 . . . . 81 ARG QB . 16467 1 901 . 1 1 81 81 ARG HD2 H 1 3.179 0.000 . 2 . . . . 81 ARG QD . 16467 1 902 . 1 1 81 81 ARG HD3 H 1 3.179 0.000 . 2 . . . . 81 ARG QD . 16467 1 903 . 1 1 81 81 ARG HG2 H 1 1.610 0.006 . 2 . . . . 81 ARG QG . 16467 1 904 . 1 1 81 81 ARG HG3 H 1 1.610 0.006 . 2 . . . . 81 ARG QG . 16467 1 905 . 1 1 81 81 ARG C C 13 178.522 0.000 . 1 . . . . 81 ARG C . 16467 1 906 . 1 1 81 81 ARG CA C 13 59.578 0.011 . 1 . . . . 81 ARG CA . 16467 1 907 . 1 1 81 81 ARG CB C 13 30.201 0.004 . 1 . . . . 81 ARG CB . 16467 1 908 . 1 1 81 81 ARG CD C 13 43.679 0.000 . 1 . . . . 81 ARG CD . 16467 1 909 . 1 1 81 81 ARG CG C 13 27.503 0.000 . 1 . . . . 81 ARG CG . 16467 1 910 . 1 1 81 81 ARG N N 15 118.214 0.041 . 1 . . . . 81 ARG N . 16467 1 911 . 1 1 82 82 GLU H H 1 7.541 0.010 . 1 . . . . 82 GLU H . 16467 1 912 . 1 1 82 82 GLU HA H 1 4.138 0.014 . 1 . . . . 82 GLU HA . 16467 1 913 . 1 1 82 82 GLU HB2 H 1 1.906 0.003 . 2 . . . . 82 GLU QB . 16467 1 914 . 1 1 82 82 GLU HB3 H 1 1.906 0.003 . 2 . . . . 82 GLU QB . 16467 1 915 . 1 1 82 82 GLU HG2 H 1 2.263 0.000 . 2 . . . . 82 GLU HG2 . 16467 1 916 . 1 1 82 82 GLU HG3 H 1 2.168 0.009 . 2 . . . . 82 GLU HG3 . 16467 1 917 . 1 1 82 82 GLU C C 13 178.661 0.000 . 1 . . . . 82 GLU C . 16467 1 918 . 1 1 82 82 GLU CA C 13 59.480 0.031 . 1 . . . . 82 GLU CA . 16467 1 919 . 1 1 82 82 GLU CB C 13 29.980 0.002 . 1 . . . . 82 GLU CB . 16467 1 920 . 1 1 82 82 GLU CG C 13 36.632 0.000 . 1 . . . . 82 GLU CG . 16467 1 921 . 1 1 82 82 GLU N N 15 120.465 0.028 . 1 . . . . 82 GLU N . 16467 1 922 . 1 1 83 83 LEU H H 1 8.185 0.010 . 1 . . . . 83 LEU H . 16467 1 923 . 1 1 83 83 LEU HA H 1 4.548 0.000 . 1 . . . . 83 LEU HA . 16467 1 924 . 1 1 83 83 LEU HB2 H 1 1.746 0.000 . 2 . . . . 83 LEU HB2 . 16467 1 925 . 1 1 83 83 LEU HB3 H 1 1.514 0.003 . 2 . . . . 83 LEU HB3 . 16467 1 926 . 1 1 83 83 LEU HD11 H 1 0.768 0.002 . . . . . . 83 LEU QD1 . 16467 1 927 . 1 1 83 83 LEU HD12 H 1 0.768 0.002 . . . . . . 83 LEU QD1 . 16467 1 928 . 1 1 83 83 LEU HD13 H 1 0.768 0.002 . . . . . . 83 LEU QD1 . 16467 1 929 . 1 1 83 83 LEU C C 13 178.783 0.000 . 1 . . . . 83 LEU C . 16467 1 930 . 1 1 83 83 LEU CA C 13 57.639 0.012 . 1 . . . . 83 LEU CA . 16467 1 931 . 1 1 83 83 LEU CB C 13 41.767 0.026 . 1 . . . . 83 LEU CB . 16467 1 932 . 1 1 83 83 LEU CD1 C 13 25.598 0.039 . 2 . . . . 83 LEU CD1 . 16467 1 933 . 1 1 83 83 LEU CD2 C 13 23.718 0.000 . 2 . . . . 83 LEU CD2 . 16467 1 934 . 1 1 83 83 LEU N N 15 119.539 0.073 . 1 . . . . 83 LEU N . 16467 1 935 . 1 1 84 84 LEU H H 1 7.904 0.004 . 1 . . . . 84 LEU H . 16467 1 936 . 1 1 84 84 LEU HA H 1 4.023 0.021 . 1 . . . . 84 LEU HA . 16467 1 937 . 1 1 84 84 LEU HB2 H 1 1.724 0.000 . 2 . . . . 84 LEU HB2 . 16467 1 938 . 1 1 84 84 LEU HB3 H 1 1.605 0.003 . 2 . . . . 84 LEU HB3 . 16467 1 939 . 1 1 84 84 LEU HD11 H 1 0.873 0.000 . . . . . . 84 LEU QD1 . 16467 1 940 . 1 1 84 84 LEU HD12 H 1 0.873 0.000 . . . . . . 84 LEU QD1 . 16467 1 941 . 1 1 84 84 LEU HD13 H 1 0.873 0.000 . . . . . . 84 LEU QD1 . 16467 1 942 . 1 1 84 84 LEU HD21 H 1 0.830 0.001 . . . . . . 84 LEU QD2 . 16467 1 943 . 1 1 84 84 LEU HD22 H 1 0.830 0.001 . . . . . . 84 LEU QD2 . 16467 1 944 . 1 1 84 84 LEU HD23 H 1 0.830 0.001 . . . . . . 84 LEU QD2 . 16467 1 945 . 1 1 84 84 LEU C C 13 178.819 0.000 . 1 . . . . 84 LEU C . 16467 1 946 . 1 1 84 84 LEU CA C 13 57.574 0.023 . 1 . . . . 84 LEU CA . 16467 1 947 . 1 1 84 84 LEU CB C 13 41.773 0.014 . 1 . . . . 84 LEU CB . 16467 1 948 . 1 1 84 84 LEU CD1 C 13 24.442 0.056 . 2 . . . . 84 LEU CD1 . 16467 1 949 . 1 1 84 84 LEU CD2 C 13 23.912 0.030 . 2 . . . . 84 LEU CD2 . 16467 1 950 . 1 1 84 84 LEU CG C 13 27.307 0.000 . 1 . . . . 84 LEU CG . 16467 1 951 . 1 1 84 84 LEU N N 15 119.245 0.032 . 1 . . . . 84 LEU N . 16467 1 952 . 1 1 85 85 HIS H H 1 7.933 0.007 . 1 . . . . 85 HIS H . 16467 1 953 . 1 1 85 85 HIS HA H 1 4.430 0.013 . 1 . . . . 85 HIS HA . 16467 1 954 . 1 1 85 85 HIS HB2 H 1 3.395 0.009 . 2 . . . . 85 HIS HB2 . 16467 1 955 . 1 1 85 85 HIS HB3 H 1 3.244 0.011 . 2 . . . . 85 HIS HB3 . 16467 1 956 . 1 1 85 85 HIS C C 13 176.678 0.000 . 1 . . . . 85 HIS C . 16467 1 957 . 1 1 85 85 HIS CA C 13 58.303 0.073 . 1 . . . . 85 HIS CA . 16467 1 958 . 1 1 85 85 HIS CB C 13 29.338 0.272 . 1 . . . . 85 HIS CB . 16467 1 959 . 1 1 85 85 HIS N N 15 117.790 0.088 . 1 . . . . 85 HIS N . 16467 1 960 . 1 1 86 86 CYS H H 1 8.184 0.004 . 1 . . . . 86 CYS H . 16467 1 961 . 1 1 86 86 CYS HA H 1 4.020 0.017 . 1 . . . . 86 CYS HA . 16467 1 962 . 1 1 86 86 CYS HB2 H 1 2.768 0.012 . 2 . . . . 86 CYS QB . 16467 1 963 . 1 1 86 86 CYS HB3 H 1 2.768 0.012 . 2 . . . . 86 CYS QB . 16467 1 964 . 1 1 86 86 CYS C C 13 176.113 0.000 . 1 . . . . 86 CYS C . 16467 1 965 . 1 1 86 86 CYS CA C 13 61.988 0.123 . 1 . . . . 86 CYS CA . 16467 1 966 . 1 1 86 86 CYS CB C 13 27.111 0.066 . 1 . . . . 86 CYS CB . 16467 1 967 . 1 1 86 86 CYS N N 15 117.665 0.031 . 1 . . . . 86 CYS N . 16467 1 968 . 1 1 87 87 ALA H H 1 8.179 0.006 . 1 . . . . 87 ALA H . 16467 1 969 . 1 1 87 87 ALA HA H 1 3.847 0.015 . 1 . . . . 87 ALA HA . 16467 1 970 . 1 1 87 87 ALA HB1 H 1 1.309 0.009 . . . . . . 87 ALA QB . 16467 1 971 . 1 1 87 87 ALA HB2 H 1 1.309 0.009 . . . . . . 87 ALA QB . 16467 1 972 . 1 1 87 87 ALA HB3 H 1 1.309 0.009 . . . . . . 87 ALA QB . 16467 1 973 . 1 1 87 87 ALA C C 13 178.762 0.000 . 1 . . . . 87 ALA C . 16467 1 974 . 1 1 87 87 ALA CA C 13 54.545 0.058 . 1 . . . . 87 ALA CA . 16467 1 975 . 1 1 87 87 ALA CB C 13 18.082 0.056 . 1 . . . . 87 ALA CB . 16467 1 976 . 1 1 87 87 ALA N N 15 123.869 0.061 . 1 . . . . 87 ALA N . 16467 1 977 . 1 1 88 88 ARG H H 1 7.959 0.006 . 1 . . . . 88 ARG H . 16467 1 978 . 1 1 88 88 ARG HA H 1 4.104 0.013 . 1 . . . . 88 ARG HA . 16467 1 979 . 1 1 88 88 ARG C C 13 178.961 0.000 . 1 . . . . 88 ARG C . 16467 1 980 . 1 1 88 88 ARG CA C 13 58.339 0.036 . 1 . . . . 88 ARG CA . 16467 1 981 . 1 1 88 88 ARG CB C 13 30.054 0.000 . 1 . . . . 88 ARG CB . 16467 1 982 . 1 1 88 88 ARG N N 15 118.132 0.032 . 1 . . . . 88 ARG N . 16467 1 983 . 1 1 89 89 LEU H H 1 7.801 0.011 . 1 . . . . 89 LEU H . 16467 1 984 . 1 1 89 89 LEU HA H 1 4.090 0.008 . 1 . . . . 89 LEU HA . 16467 1 985 . 1 1 89 89 LEU HB2 H 1 1.630 0.009 . 2 . . . . 89 LEU HB2 . 16467 1 986 . 1 1 89 89 LEU HB3 H 1 1.508 0.009 . 2 . . . . 89 LEU HB3 . 16467 1 987 . 1 1 89 89 LEU HD11 H 1 0.777 0.008 . . . . . . 89 LEU QD1 . 16467 1 988 . 1 1 89 89 LEU HD12 H 1 0.777 0.008 . . . . . . 89 LEU QD1 . 16467 1 989 . 1 1 89 89 LEU HD13 H 1 0.777 0.008 . . . . . . 89 LEU QD1 . 16467 1 990 . 1 1 89 89 LEU HD21 H 1 0.790 0.006 . . . . . . 89 LEU QD2 . 16467 1 991 . 1 1 89 89 LEU HD22 H 1 0.790 0.006 . . . . . . 89 LEU QD2 . 16467 1 992 . 1 1 89 89 LEU HD23 H 1 0.790 0.006 . . . . . . 89 LEU QD2 . 16467 1 993 . 1 1 89 89 LEU C C 13 177.910 0.000 . 1 . . . . 89 LEU C . 16467 1 994 . 1 1 89 89 LEU CA C 13 56.742 0.122 . 1 . . . . 89 LEU CA . 16467 1 995 . 1 1 89 89 LEU CB C 13 41.934 0.025 . 1 . . . . 89 LEU CB . 16467 1 996 . 1 1 89 89 LEU CD1 C 13 24.957 0.038 . 2 . . . . 89 LEU CD1 . 16467 1 997 . 1 1 89 89 LEU CD2 C 13 23.140 0.020 . 2 . . . . 89 LEU CD2 . 16467 1 998 . 1 1 89 89 LEU CG C 13 26.943 0.000 . 1 . . . . 89 LEU CG . 16467 1 999 . 1 1 89 89 LEU N N 15 120.777 0.020 . 1 . . . . 89 LEU N . 16467 1 1000 . 1 1 90 90 ALA H H 1 7.671 0.013 . 1 . . . . 90 ALA H . 16467 1 1001 . 1 1 90 90 ALA HA H 1 4.201 0.010 . 1 . . . . 90 ALA HA . 16467 1 1002 . 1 1 90 90 ALA HB1 H 1 1.378 0.008 . . . . . . 90 ALA QB . 16467 1 1003 . 1 1 90 90 ALA HB2 H 1 1.378 0.008 . . . . . . 90 ALA QB . 16467 1 1004 . 1 1 90 90 ALA HB3 H 1 1.378 0.008 . . . . . . 90 ALA QB . 16467 1 1005 . 1 1 90 90 ALA C C 13 177.101 0.000 . 1 . . . . 90 ALA C . 16467 1 1006 . 1 1 90 90 ALA CA C 13 52.762 0.085 . 1 . . . . 90 ALA CA . 16467 1 1007 . 1 1 90 90 ALA CB C 13 18.887 0.043 . 1 . . . . 90 ALA CB . 16467 1 1008 . 1 1 90 90 ALA N N 15 121.280 0.066 . 1 . . . . 90 ALA N . 16467 1 1009 . 1 1 91 91 LYS H H 1 7.833 0.004 . 1 . . . . 91 LYS H . 16467 1 1010 . 1 1 91 91 LYS HA H 1 4.040 0.013 . 1 . . . . 91 LYS HA . 16467 1 1011 . 1 1 91 91 LYS HB2 H 1 1.871 0.008 . 2 . . . . 91 LYS QB . 16467 1 1012 . 1 1 91 91 LYS HB3 H 1 1.871 0.008 . 2 . . . . 91 LYS QB . 16467 1 1013 . 1 1 91 91 LYS HD2 H 1 1.653 0.008 . 2 . . . . 91 LYS QD . 16467 1 1014 . 1 1 91 91 LYS HD3 H 1 1.653 0.008 . 2 . . . . 91 LYS QD . 16467 1 1015 . 1 1 91 91 LYS HE2 H 1 2.978 0.011 . 2 . . . . 91 LYS QE . 16467 1 1016 . 1 1 91 91 LYS HE3 H 1 2.978 0.011 . 2 . . . . 91 LYS QE . 16467 1 1017 . 1 1 91 91 LYS HG2 H 1 1.384 0.010 . 2 . . . . 91 LYS QG . 16467 1 1018 . 1 1 91 91 LYS HG3 H 1 1.384 0.010 . 2 . . . . 91 LYS QG . 16467 1 1019 . 1 1 91 91 LYS C C 13 176.281 0.000 . 1 . . . . 91 LYS C . 16467 1 1020 . 1 1 91 91 LYS CA C 13 56.881 0.053 . 1 . . . . 91 LYS CA . 16467 1 1021 . 1 1 91 91 LYS CB C 13 31.104 0.063 . 1 . . . . 91 LYS CB . 16467 1 1022 . 1 1 91 91 LYS CD C 13 29.129 0.016 . 1 . . . . 91 LYS CD . 16467 1 1023 . 1 1 91 91 LYS CG C 13 25.062 0.020 . 1 . . . . 91 LYS CG . 16467 1 1024 . 1 1 91 91 LYS N N 15 116.737 0.041 . 1 . . . . 91 LYS N . 16467 1 1025 . 1 1 92 92 GLN H H 1 8.026 0.007 . 1 . . . . 92 GLN H . 16467 1 1026 . 1 1 92 92 GLN HA H 1 4.441 0.006 . 1 . . . . 92 GLN HA . 16467 1 1027 . 1 1 92 92 GLN C C 13 175.478 0.000 . 1 . . . . 92 GLN C . 16467 1 1028 . 1 1 92 92 GLN CA C 13 55.344 0.034 . 1 . . . . 92 GLN CA . 16467 1 1029 . 1 1 92 92 GLN CB C 13 31.272 0.010 . 1 . . . . 92 GLN CB . 16467 1 1030 . 1 1 92 92 GLN CG C 13 34.043 0.000 . 1 . . . . 92 GLN CG . 16467 1 1031 . 1 1 92 92 GLN N N 15 118.117 0.043 . 1 . . . . 92 GLN N . 16467 1 1032 . 1 1 93 93 ASN H H 1 8.355 0.004 . 1 . . . . 93 ASN H . 16467 1 1033 . 1 1 93 93 ASN HA H 1 4.917 0.008 . 1 . . . . 93 ASN HA . 16467 1 1034 . 1 1 93 93 ASN HB2 H 1 2.847 0.007 . 2 . . . . 93 ASN QB . 16467 1 1035 . 1 1 93 93 ASN HB3 H 1 2.847 0.007 . 2 . . . . 93 ASN QB . 16467 1 1036 . 1 1 93 93 ASN CA C 13 51.535 0.162 . 1 . . . . 93 ASN CA . 16467 1 1037 . 1 1 93 93 ASN CB C 13 38.572 0.027 . 1 . . . . 93 ASN CB . 16467 1 1038 . 1 1 93 93 ASN N N 15 119.476 0.036 . 1 . . . . 93 ASN N . 16467 1 1039 . 1 1 94 94 PRO HA H 1 4.156 0.007 . 1 . . . . 94 PRO HA . 16467 1 1040 . 1 1 94 94 PRO HB2 H 1 2.211 0.003 . 2 . . . . 94 PRO HB2 . 16467 1 1041 . 1 1 94 94 PRO HB3 H 1 1.979 0.013 . 2 . . . . 94 PRO HB3 . 16467 1 1042 . 1 1 94 94 PRO HD2 H 1 3.788 0.006 . 2 . . . . 94 PRO QD . 16467 1 1043 . 1 1 94 94 PRO HD3 H 1 3.788 0.006 . 2 . . . . 94 PRO QD . 16467 1 1044 . 1 1 94 94 PRO HG2 H 1 2.127 0.000 . 2 . . . . 94 PRO QG . 16467 1 1045 . 1 1 94 94 PRO HG3 H 1 2.127 0.000 . 2 . . . . 94 PRO QG . 16467 1 1046 . 1 1 94 94 PRO C C 13 177.204 0.000 . 1 . . . . 94 PRO C . 16467 1 1047 . 1 1 94 94 PRO CA C 13 65.425 0.054 . 1 . . . . 94 PRO CA . 16467 1 1048 . 1 1 94 94 PRO CB C 13 31.997 0.014 . 1 . . . . 94 PRO CB . 16467 1 1049 . 1 1 94 94 PRO CD C 13 50.766 0.103 . 1 . . . . 94 PRO CD . 16467 1 1050 . 1 1 94 94 PRO CG C 13 27.713 0.039 . 1 . . . . 94 PRO CG . 16467 1 1051 . 1 1 95 95 ALA H H 1 8.173 0.004 . 1 . . . . 95 ALA H . 16467 1 1052 . 1 1 95 95 ALA HA H 1 4.142 0.010 . 1 . . . . 95 ALA HA . 16467 1 1053 . 1 1 95 95 ALA HB1 H 1 1.386 0.007 . . . . . . 95 ALA QB . 16467 1 1054 . 1 1 95 95 ALA HB2 H 1 1.386 0.007 . . . . . . 95 ALA QB . 16467 1 1055 . 1 1 95 95 ALA HB3 H 1 1.386 0.007 . . . . . . 95 ALA QB . 16467 1 1056 . 1 1 95 95 ALA C C 13 179.602 0.000 . 1 . . . . 95 ALA C . 16467 1 1057 . 1 1 95 95 ALA CA C 13 54.465 0.075 . 1 . . . . 95 ALA CA . 16467 1 1058 . 1 1 95 95 ALA CB C 13 18.458 0.011 . 1 . . . . 95 ALA CB . 16467 1 1059 . 1 1 95 95 ALA N N 15 119.801 0.029 . 1 . . . . 95 ALA N . 16467 1 1060 . 1 1 96 96 GLN H H 1 7.839 0.006 . 1 . . . . 96 GLN H . 16467 1 1061 . 1 1 96 96 GLN HA H 1 4.125 0.011 . 1 . . . . 96 GLN HA . 16467 1 1062 . 1 1 96 96 GLN C C 13 177.036 0.000 . 1 . . . . 96 GLN C . 16467 1 1063 . 1 1 96 96 GLN CA C 13 57.435 0.084 . 1 . . . . 96 GLN CA . 16467 1 1064 . 1 1 96 96 GLN CB C 13 29.117 0.000 . 1 . . . . 96 GLN CB . 16467 1 1065 . 1 1 96 96 GLN CG C 13 33.875 0.000 . 1 . . . . 96 GLN CG . 16467 1 1066 . 1 1 96 96 GLN N N 15 118.167 0.049 . 1 . . . . 96 GLN N . 16467 1 1067 . 1 1 97 97 TYR H H 1 8.081 0.008 . 1 . . . . 97 TYR H . 16467 1 1068 . 1 1 97 97 TYR HA H 1 4.246 0.014 . 1 . . . . 97 TYR HA . 16467 1 1069 . 1 1 97 97 TYR HB2 H 1 2.990 0.010 . 2 . . . . 97 TYR HB2 . 16467 1 1070 . 1 1 97 97 TYR HB3 H 1 2.885 0.012 . 2 . . . . 97 TYR HB3 . 16467 1 1071 . 1 1 97 97 TYR CA C 13 60.474 0.084 . 1 . . . . 97 TYR CA . 16467 1 1072 . 1 1 97 97 TYR CB C 13 38.778 0.004 . 1 . . . . 97 TYR CB . 16467 1 1073 . 1 1 97 97 TYR N N 15 120.080 0.029 . 1 . . . . 97 TYR N . 16467 1 1074 . 1 1 98 98 LEU H H 1 8.196 0.000 . 1 . . . . 98 LEU H . 16467 1 1075 . 1 1 98 98 LEU C C 13 177.578 0.000 . 1 . . . . 98 LEU C . 16467 1 1076 . 1 1 99 99 ALA H H 1 7.679 0.008 . 1 . . . . 99 ALA H . 16467 1 1077 . 1 1 99 99 ALA HA H 1 4.176 0.000 . 1 . . . . 99 ALA HA . 16467 1 1078 . 1 1 99 99 ALA HB1 H 1 1.386 0.013 . . . . . . 99 ALA QB . 16467 1 1079 . 1 1 99 99 ALA HB2 H 1 1.386 0.013 . . . . . . 99 ALA QB . 16467 1 1080 . 1 1 99 99 ALA HB3 H 1 1.386 0.013 . . . . . . 99 ALA QB . 16467 1 1081 . 1 1 99 99 ALA C C 13 178.529 0.000 . 1 . . . . 99 ALA C . 16467 1 1082 . 1 1 99 99 ALA CA C 13 53.428 0.057 . 1 . . . . 99 ALA CA . 16467 1 1083 . 1 1 99 99 ALA CB C 13 18.774 0.000 . 1 . . . . 99 ALA CB . 16467 1 1084 . 1 1 99 99 ALA N N 15 120.883 0.094 . 1 . . . . 99 ALA N . 16467 1 1085 . 1 1 100 100 GLN H H 1 7.808 0.007 . 1 . . . . 100 GLN H . 16467 1 1086 . 1 1 100 100 GLN HA H 1 4.170 0.005 . 1 . . . . 100 GLN HA . 16467 1 1087 . 1 1 100 100 GLN HG2 H 1 2.327 0.000 . 2 . . . . 100 GLN HG2 . 16467 1 1088 . 1 1 100 100 GLN HG3 H 1 2.213 0.007 . 2 . . . . 100 GLN HG3 . 16467 1 1089 . 1 1 100 100 GLN C C 13 175.963 0.000 . 1 . . . . 100 GLN C . 16467 1 1090 . 1 1 100 100 GLN CA C 13 56.382 0.123 . 1 . . . . 100 GLN CA . 16467 1 1091 . 1 1 100 100 GLN CB C 13 29.293 0.061 . 1 . . . . 100 GLN CB . 16467 1 1092 . 1 1 100 100 GLN CG C 13 33.954 0.000 . 1 . . . . 100 GLN CG . 16467 1 1093 . 1 1 100 100 GLN N N 15 116.585 0.077 . 1 . . . . 100 GLN N . 16467 1 1094 . 1 1 101 101 HIS H H 1 8.055 0.002 . 1 . . . . 101 HIS H . 16467 1 1095 . 1 1 101 101 HIS HA H 1 4.609 0.003 . 1 . . . . 101 HIS HA . 16467 1 1096 . 1 1 101 101 HIS HB2 H 1 3.256 0.005 . 2 . . . . 101 HIS HB2 . 16467 1 1097 . 1 1 101 101 HIS HB3 H 1 2.759 0.000 . 2 . . . . 101 HIS HB3 . 16467 1 1098 . 1 1 101 101 HIS C C 13 174.584 0.000 . 1 . . . . 101 HIS C . 16467 1 1099 . 1 1 101 101 HIS CA C 13 55.684 0.063 . 1 . . . . 101 HIS CA . 16467 1 1100 . 1 1 101 101 HIS CB C 13 29.102 0.064 . 1 . . . . 101 HIS CB . 16467 1 1101 . 1 1 101 101 HIS N N 15 118.150 0.034 . 1 . . . . 101 HIS N . 16467 1 1102 . 1 1 102 102 GLU H H 1 8.215 0.002 . 1 . . . . 102 GLU H . 16467 1 1103 . 1 1 102 102 GLU HA H 1 4.118 0.003 . 1 . . . . 102 GLU HA . 16467 1 1104 . 1 1 102 102 GLU C C 13 176.724 0.000 . 1 . . . . 102 GLU C . 16467 1 1105 . 1 1 102 102 GLU CA C 13 57.818 0.006 . 1 . . . . 102 GLU CA . 16467 1 1106 . 1 1 102 102 GLU CB C 13 29.853 0.023 . 1 . . . . 102 GLU CB . 16467 1 1107 . 1 1 102 102 GLU CG C 13 36.173 0.000 . 1 . . . . 102 GLU CG . 16467 1 1108 . 1 1 102 102 GLU N N 15 121.755 0.052 . 1 . . . . 102 GLU N . 16467 1 1109 . 1 1 103 103 GLN H H 1 8.376 0.002 . 1 . . . . 103 GLN H . 16467 1 1110 . 1 1 103 103 GLN HA H 1 4.234 0.007 . 1 . . . . 103 GLN HA . 16467 1 1111 . 1 1 103 103 GLN HB2 H 1 1.998 0.002 . 2 . . . . 103 GLN HB2 . 16467 1 1112 . 1 1 103 103 GLN HB3 H 1 1.840 0.000 . 2 . . . . 103 GLN HB3 . 16467 1 1113 . 1 1 103 103 GLN HG2 H 1 2.276 0.004 . 2 . . . . 103 GLN QG . 16467 1 1114 . 1 1 103 103 GLN HG3 H 1 2.276 0.004 . 2 . . . . 103 GLN QG . 16467 1 1115 . 1 1 103 103 GLN C C 13 175.787 0.000 . 1 . . . . 103 GLN C . 16467 1 1116 . 1 1 103 103 GLN CA C 13 56.078 0.097 . 1 . . . . 103 GLN CA . 16467 1 1117 . 1 1 103 103 GLN CB C 13 29.078 0.035 . 1 . . . . 103 GLN CB . 16467 1 1118 . 1 1 103 103 GLN CG C 13 33.820 0.026 . 1 . . . . 103 GLN CG . 16467 1 1119 . 1 1 103 103 GLN N N 15 118.571 0.066 . 1 . . . . 103 GLN N . 16467 1 1120 . 2 2 1 1 ILE H H 1 8.098 0.003 . 1 . . . . 118 ILE H . 16467 1 1121 . 2 2 1 1 ILE HA H 1 4.105 0.008 . 1 . . . . 118 ILE HA . 16467 1 1122 . 2 2 1 1 ILE HB H 1 1.813 0.006 . 1 . . . . 118 ILE HB . 16467 1 1123 . 2 2 1 1 ILE HD11 H 1 0.782 0.004 . . . . . . 118 ILE QD1 . 16467 1 1124 . 2 2 1 1 ILE HD12 H 1 0.782 0.004 . . . . . . 118 ILE QD1 . 16467 1 1125 . 2 2 1 1 ILE HD13 H 1 0.782 0.004 . . . . . . 118 ILE QD1 . 16467 1 1126 . 2 2 1 1 ILE HG12 H 1 1.424 0.009 . 2 . . . . 118 ILE HG12 . 16467 1 1127 . 2 2 1 1 ILE HG13 H 1 1.106 0.008 . 2 . . . . 118 ILE HG13 . 16467 1 1128 . 2 2 1 1 ILE HG21 H 1 0.836 0.007 . . . . . . 118 ILE QG2 . 16467 1 1129 . 2 2 1 1 ILE HG22 H 1 0.836 0.007 . . . . . . 118 ILE QG2 . 16467 1 1130 . 2 2 1 1 ILE HG23 H 1 0.836 0.007 . . . . . . 118 ILE QG2 . 16467 1 1131 . 2 2 1 1 ILE C C 13 176.346 0.000 . 1 . . . . 118 ILE C . 16467 1 1132 . 2 2 1 1 ILE CA C 13 61.618 0.051 . 1 . . . . 118 ILE CA . 16467 1 1133 . 2 2 1 1 ILE CB C 13 38.709 0.064 . 1 . . . . 118 ILE CB . 16467 1 1134 . 2 2 1 1 ILE CD1 C 13 13.250 0.040 . 1 . . . . 118 ILE CD1 . 16467 1 1135 . 2 2 1 1 ILE CG1 C 13 27.355 0.095 . 1 . . . . 118 ILE CG1 . 16467 1 1136 . 2 2 1 1 ILE CG2 C 13 17.566 0.022 . 1 . . . . 118 ILE CG2 . 16467 1 1137 . 2 2 1 1 ILE N N 15 122.044 0.020 . 1 . . . . 118 ILE N . 16467 1 1138 . 2 2 2 2 GLY H H 1 8.261 0.006 . 1 . . . . 119 GLY H . 16467 1 1139 . 2 2 2 2 GLY HA2 H 1 3.838 0.015 . 2 . . . . 119 GLY QA . 16467 1 1140 . 2 2 2 2 GLY HA3 H 1 3.838 0.015 . 2 . . . . 119 GLY QA . 16467 1 1141 . 2 2 2 2 GLY C C 13 174.045 0.000 . 1 . . . . 119 GLY C . 16467 1 1142 . 2 2 2 2 GLY CA C 13 45.242 0.022 . 1 . . . . 119 GLY CA . 16467 1 1143 . 2 2 2 2 GLY N N 15 111.557 0.058 . 1 . . . . 119 GLY N . 16467 1 1144 . 2 2 3 3 THR H H 1 7.902 0.003 . 1 . . . . 120 THR H . 16467 1 1145 . 2 2 3 3 THR HA H 1 3.990 0.012 . 1 . . . . 120 THR HA . 16467 1 1146 . 2 2 3 3 THR HB H 1 3.997 0.016 . 1 . . . . 120 THR HB . 16467 1 1147 . 2 2 3 3 THR HG21 H 1 1.016 0.011 . . . . . . 120 THR QG2 . 16467 1 1148 . 2 2 3 3 THR HG22 H 1 1.016 0.011 . . . . . . 120 THR QG2 . 16467 1 1149 . 2 2 3 3 THR HG23 H 1 1.016 0.011 . . . . . . 120 THR QG2 . 16467 1 1150 . 2 2 3 3 THR C C 13 174.271 0.000 . 1 . . . . 120 THR C . 16467 1 1151 . 2 2 3 3 THR CA C 13 62.183 0.071 . 1 . . . . 120 THR CA . 16467 1 1152 . 2 2 3 3 THR CB C 13 69.586 0.078 . 1 . . . . 120 THR CB . 16467 1 1153 . 2 2 3 3 THR CG2 C 13 21.745 0.037 . 1 . . . . 120 THR CG2 . 16467 1 1154 . 2 2 3 3 THR N N 15 113.204 0.027 . 1 . . . . 120 THR N . 16467 1 1155 . 2 2 4 4 ASP H H 1 7.788 0.003 . 1 . . . . 121 ASP H . 16467 1 1156 . 2 2 4 4 ASP HA H 1 4.363 0.006 . 1 . . . . 121 ASP HA . 16467 1 1157 . 2 2 4 4 ASP HB2 H 1 2.635 0.009 . 2 . . . . 121 ASP HB2 . 16467 1 1158 . 2 2 4 4 ASP HB3 H 1 2.482 0.004 . 2 . . . . 121 ASP HB3 . 16467 1 1159 . 2 2 4 4 ASP C C 13 176.857 0.000 . 1 . . . . 121 ASP C . 16467 1 1160 . 2 2 4 4 ASP CA C 13 54.312 0.044 . 1 . . . . 121 ASP CA . 16467 1 1161 . 2 2 4 4 ASP CB C 13 41.094 0.035 . 1 . . . . 121 ASP CB . 16467 1 1162 . 2 2 4 4 ASP N N 15 122.502 0.056 . 1 . . . . 121 ASP N . 16467 1 1163 . 2 2 5 5 LYS H H 1 8.337 0.010 . 1 . . . . 122 LYS H . 16467 1 1164 . 2 2 5 5 LYS HA H 1 4.125 0.008 . 1 . . . . 122 LYS HA . 16467 1 1165 . 2 2 5 5 LYS HB2 H 1 1.853 0.008 . 2 . . . . 122 LYS QB . 16467 1 1166 . 2 2 5 5 LYS HB3 H 1 1.853 0.008 . 2 . . . . 122 LYS QB . 16467 1 1167 . 2 2 5 5 LYS HD2 H 1 1.622 0.000 . 2 . . . . 122 LYS QD . 16467 1 1168 . 2 2 5 5 LYS HD3 H 1 1.622 0.000 . 2 . . . . 122 LYS QD . 16467 1 1169 . 2 2 5 5 LYS HE2 H 1 2.958 0.000 . 2 . . . . 122 LYS QE . 16467 1 1170 . 2 2 5 5 LYS HE3 H 1 2.958 0.000 . 2 . . . . 122 LYS QE . 16467 1 1171 . 2 2 5 5 LYS HG2 H 1 1.425 0.007 . 2 . . . . 122 LYS QG . 16467 1 1172 . 2 2 5 5 LYS HG3 H 1 1.425 0.007 . 2 . . . . 122 LYS QG . 16467 1 1173 . 2 2 5 5 LYS C C 13 178.674 0.000 . 1 . . . . 122 LYS C . 16467 1 1174 . 2 2 5 5 LYS CA C 13 58.199 0.058 . 1 . . . . 122 LYS CA . 16467 1 1175 . 2 2 5 5 LYS CB C 13 32.215 0.001 . 1 . . . . 122 LYS CB . 16467 1 1176 . 2 2 5 5 LYS CD C 13 28.940 0.030 . 1 . . . . 122 LYS CD . 16467 1 1177 . 2 2 5 5 LYS CG C 13 24.934 0.125 . 1 . . . . 122 LYS CG . 16467 1 1178 . 2 2 5 5 LYS N N 15 123.095 0.059 . 1 . . . . 122 LYS N . 16467 1 1179 . 2 2 6 6 GLU H H 1 8.357 0.009 . 1 . . . . 123 GLU H . 16467 1 1180 . 2 2 6 6 GLU HA H 1 4.153 0.013 . 1 . . . . 123 GLU HA . 16467 1 1181 . 2 2 6 6 GLU HB2 H 1 2.023 0.000 . 2 . . . . 123 GLU QB . 16467 1 1182 . 2 2 6 6 GLU HB3 H 1 2.023 0.000 . 2 . . . . 123 GLU QB . 16467 1 1183 . 2 2 6 6 GLU HG2 H 1 2.281 0.026 . 2 . . . . 123 GLU HG2 . 16467 1 1184 . 2 2 6 6 GLU HG3 H 1 2.218 0.016 . 2 . . . . 123 GLU HG3 . 16467 1 1185 . 2 2 6 6 GLU C C 13 177.093 0.000 . 1 . . . . 123 GLU C . 16467 1 1186 . 2 2 6 6 GLU CA C 13 58.606 0.203 . 1 . . . . 123 GLU CA . 16467 1 1187 . 2 2 6 6 GLU CB C 13 29.971 0.000 . 1 . . . . 123 GLU CB . 16467 1 1188 . 2 2 6 6 GLU CG C 13 36.545 0.000 . 1 . . . . 123 GLU CG . 16467 1 1189 . 2 2 6 6 GLU N N 15 120.136 0.065 . 1 . . . . 123 GLU N . 16467 1 1190 . 2 2 7 7 LEU H H 1 8.030 0.006 . 1 . . . . 124 LEU H . 16467 1 1191 . 2 2 7 7 LEU HA H 1 4.456 0.008 . 1 . . . . 124 LEU HA . 16467 1 1192 . 2 2 7 7 LEU HB2 H 1 2.110 0.004 . 2 . . . . 124 LEU HB2 . 16467 1 1193 . 2 2 7 7 LEU HB3 H 1 1.861 0.010 . 2 . . . . 124 LEU HB3 . 16467 1 1194 . 2 2 7 7 LEU HD11 H 1 1.059 0.005 . . . . . . 124 LEU QD1 . 16467 1 1195 . 2 2 7 7 LEU HD12 H 1 1.059 0.005 . . . . . . 124 LEU QD1 . 16467 1 1196 . 2 2 7 7 LEU HD13 H 1 1.059 0.005 . . . . . . 124 LEU QD1 . 16467 1 1197 . 2 2 7 7 LEU HD21 H 1 0.875 0.015 . . . . . . 124 LEU QD2 . 16467 1 1198 . 2 2 7 7 LEU HD22 H 1 0.875 0.015 . . . . . . 124 LEU QD2 . 16467 1 1199 . 2 2 7 7 LEU HD23 H 1 0.875 0.015 . . . . . . 124 LEU QD2 . 16467 1 1200 . 2 2 7 7 LEU C C 13 178.427 0.000 . 1 . . . . 124 LEU C . 16467 1 1201 . 2 2 7 7 LEU CA C 13 54.307 0.095 . 1 . . . . 124 LEU CA . 16467 1 1202 . 2 2 7 7 LEU CB C 13 42.348 0.017 . 1 . . . . 124 LEU CB . 16467 1 1203 . 2 2 7 7 LEU CD1 C 13 26.798 0.000 . 2 . . . . 124 LEU CD1 . 16467 1 1204 . 2 2 7 7 LEU CD2 C 13 23.777 0.044 . 2 . . . . 124 LEU CD2 . 16467 1 1205 . 2 2 7 7 LEU CG C 13 26.908 0.000 . 1 . . . . 124 LEU CG . 16467 1 1206 . 2 2 7 7 LEU N N 15 113.640 0.029 . 1 . . . . 124 LEU N . 16467 1 1207 . 2 2 8 8 SER H H 1 7.899 0.004 . 1 . . . . 125 SER H . 16467 1 1208 . 2 2 8 8 SER HA H 1 4.498 0.012 . 1 . . . . 125 SER HA . 16467 1 1209 . 2 2 8 8 SER HB2 H 1 4.104 0.012 . 2 . . . . 125 SER QB . 16467 1 1210 . 2 2 8 8 SER HB3 H 1 4.104 0.012 . 2 . . . . 125 SER QB . 16467 1 1211 . 2 2 8 8 SER C C 13 173.699 0.000 . 1 . . . . 125 SER C . 16467 1 1212 . 2 2 8 8 SER CA C 13 61.667 0.095 . 1 . . . . 125 SER CA . 16467 1 1213 . 2 2 8 8 SER CB C 13 63.412 0.038 . 1 . . . . 125 SER CB . 16467 1 1214 . 2 2 8 8 SER N N 15 116.332 0.022 . 1 . . . . 125 SER N . 16467 1 1215 . 2 2 9 9 ASP H H 1 8.446 0.006 . 1 . . . . 126 ASP H . 16467 1 1216 . 2 2 9 9 ASP HA H 1 4.391 0.010 . 1 . . . . 126 ASP HA . 16467 1 1217 . 2 2 9 9 ASP HB2 H 1 2.546 0.005 . 2 . . . . 126 ASP HB2 . 16467 1 1218 . 2 2 9 9 ASP HB3 H 1 2.449 0.012 . 2 . . . . 126 ASP HB3 . 16467 1 1219 . 2 2 9 9 ASP C C 13 175.614 0.000 . 1 . . . . 126 ASP C . 16467 1 1220 . 2 2 9 9 ASP CA C 13 53.780 0.067 . 1 . . . . 126 ASP CA . 16467 1 1221 . 2 2 9 9 ASP CB C 13 38.831 0.063 . 1 . . . . 126 ASP CB . 16467 1 1222 . 2 2 9 9 ASP N N 15 117.090 0.041 . 1 . . . . 126 ASP N . 16467 1 1223 . 2 2 10 10 LEU H H 1 7.754 0.007 . 1 . . . . 127 LEU H . 16467 1 1224 . 2 2 10 10 LEU HA H 1 4.327 0.011 . 1 . . . . 127 LEU HA . 16467 1 1225 . 2 2 10 10 LEU HB2 H 1 1.515 0.017 . 2 . . . . 127 LEU HB2 . 16467 1 1226 . 2 2 10 10 LEU HB3 H 1 0.890 0.016 . 2 . . . . 127 LEU HB3 . 16467 1 1227 . 2 2 10 10 LEU HD11 H 1 -0.362 0.076 . . . . . . 127 LEU QD1 . 16467 1 1228 . 2 2 10 10 LEU HD12 H 1 -0.362 0.076 . . . . . . 127 LEU QD1 . 16467 1 1229 . 2 2 10 10 LEU HD13 H 1 -0.362 0.076 . . . . . . 127 LEU QD1 . 16467 1 1230 . 2 2 10 10 LEU HD21 H 1 -0.025 0.010 . . . . . . 127 LEU QD2 . 16467 1 1231 . 2 2 10 10 LEU HD22 H 1 -0.025 0.010 . . . . . . 127 LEU QD2 . 16467 1 1232 . 2 2 10 10 LEU HD23 H 1 -0.025 0.010 . . . . . . 127 LEU QD2 . 16467 1 1233 . 2 2 10 10 LEU HG H 1 1.293 0.007 . 1 . . . . 127 LEU HG . 16467 1 1234 . 2 2 10 10 LEU C C 13 175.805 0.000 . 1 . . . . 127 LEU C . 16467 1 1235 . 2 2 10 10 LEU CA C 13 55.429 0.049 . 1 . . . . 127 LEU CA . 16467 1 1236 . 2 2 10 10 LEU CB C 13 44.171 0.083 . 1 . . . . 127 LEU CB . 16467 1 1237 . 2 2 10 10 LEU CD1 C 13 25.478 0.035 . 2 . . . . 127 LEU CD1 . 16467 1 1238 . 2 2 10 10 LEU CD2 C 13 23.291 0.071 . 2 . . . . 127 LEU CD2 . 16467 1 1239 . 2 2 10 10 LEU N N 15 119.159 0.031 . 1 . . . . 127 LEU N . 16467 1 1240 . 2 2 11 11 LEU H H 1 7.628 0.007 . 1 . . . . 128 LEU H . 16467 1 1241 . 2 2 11 11 LEU HA H 1 4.688 0.016 . 1 . . . . 128 LEU HA . 16467 1 1242 . 2 2 11 11 LEU HB2 H 1 1.107 0.017 . 2 . . . . 128 LEU HB2 . 16467 1 1243 . 2 2 11 11 LEU HB3 H 1 0.852 0.006 . 2 . . . . 128 LEU HB3 . 16467 1 1244 . 2 2 11 11 LEU HD11 H 1 0.714 0.010 . . . . . . 128 LEU QD1 . 16467 1 1245 . 2 2 11 11 LEU HD12 H 1 0.714 0.010 . . . . . . 128 LEU QD1 . 16467 1 1246 . 2 2 11 11 LEU HD13 H 1 0.714 0.010 . . . . . . 128 LEU QD1 . 16467 1 1247 . 2 2 11 11 LEU HD21 H 1 0.616 0.008 . . . . . . 128 LEU QD2 . 16467 1 1248 . 2 2 11 11 LEU HD22 H 1 0.616 0.008 . . . . . . 128 LEU QD2 . 16467 1 1249 . 2 2 11 11 LEU HD23 H 1 0.616 0.008 . . . . . . 128 LEU QD2 . 16467 1 1250 . 2 2 11 11 LEU HG H 1 1.415 0.009 . 1 . . . . 128 LEU HG . 16467 1 1251 . 2 2 11 11 LEU CA C 13 53.159 0.072 . 1 . . . . 128 LEU CA . 16467 1 1252 . 2 2 11 11 LEU CB C 13 45.690 0.025 . 1 . . . . 128 LEU CB . 16467 1 1253 . 2 2 11 11 LEU CD1 C 13 25.600 0.058 . 2 . . . . 128 LEU CD1 . 16467 1 1254 . 2 2 11 11 LEU CD2 C 13 24.485 0.020 . 2 . . . . 128 LEU CD2 . 16467 1 1255 . 2 2 11 11 LEU CG C 13 27.315 0.004 . 1 . . . . 128 LEU CG . 16467 1 1256 . 2 2 11 11 LEU N N 15 118.594 0.051 . 1 . . . . 128 LEU N . 16467 1 1257 . 2 2 12 12 ASP HA H 1 4.771 0.010 . 1 . . . . 129 ASP HA . 16467 1 1258 . 2 2 12 12 ASP HB2 H 1 2.942 0.007 . 2 . . . . 129 ASP HB2 . 16467 1 1259 . 2 2 12 12 ASP HB3 H 1 2.209 0.004 . 2 . . . . 129 ASP HB3 . 16467 1 1260 . 2 2 12 12 ASP C C 13 176.167 0.000 . 1 . . . . 129 ASP C . 16467 1 1261 . 2 2 12 12 ASP CA C 13 51.889 0.089 . 1 . . . . 129 ASP CA . 16467 1 1262 . 2 2 12 12 ASP CB C 13 39.948 0.060 . 1 . . . . 129 ASP CB . 16467 1 1263 . 2 2 13 13 PHE H H 1 8.322 0.006 . 1 . . . . 130 PHE H . 16467 1 1264 . 2 2 13 13 PHE HA H 1 4.161 0.016 . 1 . . . . 130 PHE HA . 16467 1 1265 . 2 2 13 13 PHE HB2 H 1 3.269 0.012 . 2 . . . . 130 PHE HB2 . 16467 1 1266 . 2 2 13 13 PHE HB3 H 1 2.987 0.008 . 2 . . . . 130 PHE HB3 . 16467 1 1267 . 2 2 13 13 PHE HD1 H 1 7.262 0.000 . . . . . . 130 PHE QD . 16467 1 1268 . 2 2 13 13 PHE HD2 H 1 7.262 0.000 . . . . . . 130 PHE QD . 16467 1 1269 . 2 2 13 13 PHE HE1 H 1 7.262 0.000 . . . . . . 130 PHE QE . 16467 1 1270 . 2 2 13 13 PHE HE2 H 1 7.262 0.000 . . . . . . 130 PHE QE . 16467 1 1271 . 2 2 13 13 PHE HZ H 1 7.262 0.000 . . . . . . 130 PHE HZ . 16467 1 1272 . 2 2 13 13 PHE C C 13 177.744 0.000 . 1 . . . . 130 PHE C . 16467 1 1273 . 2 2 13 13 PHE CA C 13 60.705 0.039 . 1 . . . . 130 PHE CA . 16467 1 1274 . 2 2 13 13 PHE CB C 13 38.721 0.014 . 1 . . . . 130 PHE CB . 16467 1 1275 . 2 2 13 13 PHE N N 15 123.385 0.044 . 1 . . . . 130 PHE N . 16467 1 1276 . 2 2 14 14 SER H H 1 8.395 0.007 . 1 . . . . 131 SER H . 16467 1 1277 . 2 2 14 14 SER HA H 1 4.303 0.010 . 1 . . . . 131 SER HA . 16467 1 1278 . 2 2 14 14 SER HB2 H 1 3.979 0.012 . 2 . . . . 131 SER QB . 16467 1 1279 . 2 2 14 14 SER HB3 H 1 3.979 0.012 . 2 . . . . 131 SER QB . 16467 1 1280 . 2 2 14 14 SER C C 13 175.154 0.000 . 1 . . . . 131 SER C . 16467 1 1281 . 2 2 14 14 SER CA C 13 61.097 0.070 . 1 . . . . 131 SER CA . 16467 1 1282 . 2 2 14 14 SER CB C 13 62.984 0.040 . 1 . . . . 131 SER CB . 16467 1 1283 . 2 2 14 14 SER N N 15 115.357 0.020 . 1 . . . . 131 SER N . 16467 1 1284 . 2 2 15 15 ALA H H 1 7.453 0.010 . 1 . . . . 132 ALA H . 16467 1 1285 . 2 2 15 15 ALA HA H 1 4.340 0.017 . 1 . . . . 132 ALA HA . 16467 1 1286 . 2 2 15 15 ALA HB1 H 1 1.337 0.008 . . . . . . 132 ALA QB . 16467 1 1287 . 2 2 15 15 ALA HB2 H 1 1.337 0.008 . . . . . . 132 ALA QB . 16467 1 1288 . 2 2 15 15 ALA HB3 H 1 1.337 0.008 . . . . . . 132 ALA QB . 16467 1 1289 . 2 2 15 15 ALA C C 13 177.974 0.000 . 1 . . . . 132 ALA C . 16467 1 1290 . 2 2 15 15 ALA CA C 13 52.359 0.038 . 1 . . . . 132 ALA CA . 16467 1 1291 . 2 2 15 15 ALA CB C 13 19.192 0.026 . 1 . . . . 132 ALA CB . 16467 1 1292 . 2 2 15 15 ALA N N 15 119.732 8.380 . 1 . . . . 132 ALA N . 16467 1 1293 . 2 2 16 16 MET H H 1 7.451 0.007 . 1 . . . . 133 MET H . 16467 1 1294 . 2 2 16 16 MET HA H 1 4.101 0.013 . 1 . . . . 133 MET HA . 16467 1 1295 . 2 2 16 16 MET HB2 H 1 2.107 0.010 . 2 . . . . 133 MET HB2 . 16467 1 1296 . 2 2 16 16 MET HB3 H 1 1.911 0.015 . 2 . . . . 133 MET HB3 . 16467 1 1297 . 2 2 16 16 MET HE1 H 1 1.540 0.024 . . . . . . 133 MET QE . 16467 1 1298 . 2 2 16 16 MET HE2 H 1 1.540 0.024 . . . . . . 133 MET QE . 16467 1 1299 . 2 2 16 16 MET HE3 H 1 1.540 0.024 . . . . . . 133 MET QE . 16467 1 1300 . 2 2 16 16 MET C C 13 175.604 0.000 . 1 . . . . 133 MET C . 16467 1 1301 . 2 2 16 16 MET CA C 13 56.753 0.089 . 1 . . . . 133 MET CA . 16467 1 1302 . 2 2 16 16 MET CB C 13 33.646 0.032 . 1 . . . . 133 MET CB . 16467 1 1303 . 2 2 16 16 MET CG C 13 32.046 0.000 . 1 . . . . 133 MET CG . 16467 1 1304 . 2 2 16 16 MET N N 15 116.930 0.021 . 1 . . . . 133 MET N . 16467 1 1305 . 2 2 17 17 PHE H H 1 7.793 0.007 . 1 . . . . 134 PHE H . 16467 1 1306 . 2 2 17 17 PHE HA H 1 4.790 0.010 . 1 . . . . 134 PHE HA . 16467 1 1307 . 2 2 17 17 PHE HB2 H 1 3.293 0.008 . 2 . . . . 134 PHE HB2 . 16467 1 1308 . 2 2 17 17 PHE HB3 H 1 2.907 0.007 . 2 . . . . 134 PHE HB3 . 16467 1 1309 . 2 2 17 17 PHE HD1 H 1 7.213 0.000 . . . . . . 134 PHE QD . 16467 1 1310 . 2 2 17 17 PHE HD2 H 1 7.213 0.000 . . . . . . 134 PHE QD . 16467 1 1311 . 2 2 17 17 PHE HE1 H 1 7.213 0.000 . . . . . . 134 PHE QE . 16467 1 1312 . 2 2 17 17 PHE HE2 H 1 7.213 0.000 . . . . . . 134 PHE QE . 16467 1 1313 . 2 2 17 17 PHE HZ H 1 7.213 0.000 . . . . . . 134 PHE HZ . 16467 1 1314 . 2 2 17 17 PHE C C 13 174.825 0.000 . 1 . . . . 134 PHE C . 16467 1 1315 . 2 2 17 17 PHE CA C 13 57.057 0.049 . 1 . . . . 134 PHE CA . 16467 1 1316 . 2 2 17 17 PHE CB C 13 39.473 0.041 . 1 . . . . 134 PHE CB . 16467 1 1317 . 2 2 17 17 PHE N N 15 117.773 0.038 . 1 . . . . 134 PHE N . 16467 1 1318 . 2 2 18 18 SER H H 1 7.750 0.006 . 1 . . . . 135 SER H . 16467 1 1319 . 2 2 18 18 SER HA H 1 4.283 0.009 . 1 . . . . 135 SER HA . 16467 1 1320 . 2 2 18 18 SER HB2 H 1 3.858 0.006 . 2 . . . . 135 SER QB . 16467 1 1321 . 2 2 18 18 SER HB3 H 1 3.858 0.006 . 2 . . . . 135 SER QB . 16467 1 1322 . 2 2 18 18 SER CA C 13 60.714 0.000 . 1 . . . . 135 SER CA . 16467 1 1323 . 2 2 18 18 SER CB C 13 65.042 0.026 . 1 . . . . 135 SER CB . 16467 1 1324 . 2 2 18 18 SER N N 15 121.597 0.034 . 1 . . . . 135 SER N . 16467 1 stop_ save_