data_6267 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6267 _Entry.Title ; 1H, 13C and 15N resonance assignments of the phosphorylated enzyme IIB (C31S) of the mannitol-specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-19 _Entry.Accession_date 2004-07-19 _Entry.Last_release_date 2005-01-07 _Entry.Original_release_date 2005-01-07 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Renee Otten . . . 6267 2 Franciska 'Van Lune' . S. . 6267 3 Klaas Dijkstra . . . 6267 4 Ruud Scheek . M. . 6267 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6267 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 737 6267 '13C chemical shifts' 453 6267 '15N chemical shifts' 120 6267 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-01-07 2004-07-19 original author . 6267 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6267 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: 1H, 13C and 15N resonance assignments of the phosphorylated enzyme IIB of the mannitol-specific phosphoenolpyruvate-dependent phosphotransferase system of Escherichia coli ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 4 _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 461 _Citation.Page_last 462 _Citation.Year 2004 _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 Renee Otten . . . 6267 1 2 Franciska 'Van Lune' . S. . 6267 1 3 Klaas Dijkstra . . . 6267 1 4 Ruud Scheek . M. . 6267 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6267 _Assembly.ID 1 _Assembly.Name phospho-IIB-mannitol _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'IIB-mannitol of E. coli, phosphorylated at residue Ser31' _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6267 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 phospho-IIB-mannitol 1 $phospho-IIB-mannitol . . . native . . . . . 6267 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID phospho-IIB-mannitol system 6267 1 phospho-IIB-mannitol abbreviation 6267 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phospho-IIB-mannitol _Entity.Sf_category entity _Entity.Sf_framecode phospho-IIB-mannitol _Entity.Entry_ID 6267 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name phospho-IIB-mannitol _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMSHVRKIIVASDAGMGS SAMGAGVLRKKIQDAGLSQI SVTNSAINNLPPDVDLVITH RDLTERAMRQVPQAQHISLT NFLDSGLYTSLTERLVAAQR HTANEEKVKDSLKDSFD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 1VRV . "Structure Of Phosphorylated Iib (C384(Sep)) Domain Of The Mannitol- Specific Permease Enzyme Ii" . . . . . 86.32 101 98.02 98.02 4.52e-64 . . . . 6267 1 2 no PDB 2FEW . "Complex Of Enzyme Iiamtl And Phosphorylated Enzyme Iibmtl From Escherichia Coli Nmr, Restrained Regularized Mean Structure" . . . . . 86.32 101 98.02 98.02 4.52e-64 . . . . 6267 1 3 no DBJ BAE77694 . "fused mannitol-specific PTS enzyme IIABC components [Escherichia coli str. K-12 substr. W3110]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 4 no DBJ BAG79401 . "PTS system mannitol-specific IIABC components [Escherichia coli SE11]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 5 no DBJ BAJ45339 . "fused mannitol-specific PTS enzymes: IIA components/IIB components/IIC components [Escherichia coli DH1]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 6 no DBJ BAL40192 . "fused mannitol-specific PTS enzyme IIABC components [Escherichia coli str. K-12 substr. MDS42]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 7 no EMBL CAA24748 . "mannitol permease [Escherichia coli]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 8 no EMBL CAQ33922 . "mtlA, subunit of mannitol PTS permease [Escherichia coli BL21(DE3)]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 9 no EMBL CAQ91062 . "fused mannitol-specific PTS enzymes: IIA components ; IIB components ; IIC components [Escherichia fergusonii ATCC 35469]" . . . . . 97.44 638 98.25 99.12 1.74e-69 . . . . 6267 1 10 no EMBL CAR00566 . "fused mannitol-specific PTS enzymes: IIA components ; IIB components ; IIC components [Escherichia coli IAI1]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 11 no EMBL CAV00578 . "fused mannitol-specific PTS enzymes: IIA components ; IIB components ; IIC components [Escherichia coli 55989]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 12 no GB AAB18576 . "mannitol-specific enzyme II of phosphotransferase system [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 13 no GB AAC76623 . "mannitol-specific PTS enzyme: IIA, IIB and IIC components [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 14 no GB ABV08013 . "PTS system, mannitol-specific IIABC component [Escherichia coli HS]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 15 no GB ACB04648 . "fused mannitol-specific PTS enzymes: IIA components; IIB components; IIC components [Escherichia coli str. K-12 substr. DH10B]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 16 no GB ACR63207 . "fused mannitol-specific PTS enzymes: IIA components/IIB components/IIC components [Escherichia coli BW2952]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 17 no REF NP_418056 . "mannitol-specific PTS enzyme: IIA, IIB and IIC components [Escherichia coli str. K-12 substr. MG1655]" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 18 no REF WP_000093235 . "PTS mannitol transporter subunit IICBA [Escherichia albertii]" . . . . . 97.44 637 97.37 98.25 1.57e-68 . . . . 6267 1 19 no REF WP_000093236 . "PTS mannitol transporter subunit IICBA [Escherichia albertii]" . . . . . 97.44 637 97.37 98.25 1.49e-68 . . . . 6267 1 20 no REF WP_000093240 . "PTS mannitol transporter subunit IIABC [Escherichia coli]" . . . . . 97.44 637 98.25 99.12 2.10e-69 . . . . 6267 1 21 no REF WP_000093243 . "PTS mannitol transporter subunit IIABC [Escherichia fergusonii]" . . . . . 97.44 638 98.25 99.12 1.74e-69 . . . . 6267 1 22 no SP P00550 . "RecName: Full=PTS system mannitol-specific EIICBA component; AltName: Full=EIICBA-Mtl; Short=EII-Mtl; Includes: RecName: Full=M" . . . . . 97.44 637 98.25 99.12 1.96e-69 . . . . 6267 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID phospho-IIB-mannitol common 6267 1 V66W121 abbreviation 6267 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 18 GLY . 6267 1 2 19 SER . 6267 1 3 20 HIS . 6267 1 4 21 MET . 6267 1 5 22 SER . 6267 1 6 23 HIS . 6267 1 7 24 VAL . 6267 1 8 25 ARG . 6267 1 9 26 LYS . 6267 1 10 27 ILE . 6267 1 11 28 ILE . 6267 1 12 29 VAL . 6267 1 13 30 ALA . 6267 1 14 31 SER . 6267 1 15 32 ASP . 6267 1 16 33 ALA . 6267 1 17 34 GLY . 6267 1 18 35 MET . 6267 1 19 36 GLY . 6267 1 20 37 SER . 6267 1 21 38 SER . 6267 1 22 39 ALA . 6267 1 23 40 MET . 6267 1 24 41 GLY . 6267 1 25 42 ALA . 6267 1 26 43 GLY . 6267 1 27 44 VAL . 6267 1 28 45 LEU . 6267 1 29 46 ARG . 6267 1 30 47 LYS . 6267 1 31 48 LYS . 6267 1 32 49 ILE . 6267 1 33 50 GLN . 6267 1 34 51 ASP . 6267 1 35 52 ALA . 6267 1 36 53 GLY . 6267 1 37 54 LEU . 6267 1 38 55 SER . 6267 1 39 56 GLN . 6267 1 40 57 ILE . 6267 1 41 58 SER . 6267 1 42 59 VAL . 6267 1 43 60 THR . 6267 1 44 61 ASN . 6267 1 45 62 SER . 6267 1 46 63 ALA . 6267 1 47 64 ILE . 6267 1 48 65 ASN . 6267 1 49 66 ASN . 6267 1 50 67 LEU . 6267 1 51 68 PRO . 6267 1 52 69 PRO . 6267 1 53 70 ASP . 6267 1 54 71 VAL . 6267 1 55 72 ASP . 6267 1 56 73 LEU . 6267 1 57 74 VAL . 6267 1 58 75 ILE . 6267 1 59 76 THR . 6267 1 60 77 HIS . 6267 1 61 78 ARG . 6267 1 62 79 ASP . 6267 1 63 80 LEU . 6267 1 64 81 THR . 6267 1 65 82 GLU . 6267 1 66 83 ARG . 6267 1 67 84 ALA . 6267 1 68 85 MET . 6267 1 69 86 ARG . 6267 1 70 87 GLN . 6267 1 71 88 VAL . 6267 1 72 89 PRO . 6267 1 73 90 GLN . 6267 1 74 91 ALA . 6267 1 75 92 GLN . 6267 1 76 93 HIS . 6267 1 77 94 ILE . 6267 1 78 95 SER . 6267 1 79 96 LEU . 6267 1 80 97 THR . 6267 1 81 98 ASN . 6267 1 82 99 PHE . 6267 1 83 100 LEU . 6267 1 84 101 ASP . 6267 1 85 102 SER . 6267 1 86 103 GLY . 6267 1 87 104 LEU . 6267 1 88 105 TYR . 6267 1 89 106 THR . 6267 1 90 107 SER . 6267 1 91 108 LEU . 6267 1 92 109 THR . 6267 1 93 110 GLU . 6267 1 94 111 ARG . 6267 1 95 112 LEU . 6267 1 96 113 VAL . 6267 1 97 114 ALA . 6267 1 98 115 ALA . 6267 1 99 116 GLN . 6267 1 100 117 ARG . 6267 1 101 118 HIS . 6267 1 102 119 THR . 6267 1 103 120 ALA . 6267 1 104 121 ASN . 6267 1 105 122 GLU . 6267 1 106 123 GLU . 6267 1 107 124 LYS . 6267 1 108 125 VAL . 6267 1 109 126 LYS . 6267 1 110 127 ASP . 6267 1 111 128 SER . 6267 1 112 129 LEU . 6267 1 113 130 LYS . 6267 1 114 131 ASP . 6267 1 115 132 SER . 6267 1 116 133 PHE . 6267 1 117 134 ASP . 6267 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 6267 1 . SER 2 2 6267 1 . HIS 3 3 6267 1 . MET 4 4 6267 1 . SER 5 5 6267 1 . HIS 6 6 6267 1 . VAL 7 7 6267 1 . ARG 8 8 6267 1 . LYS 9 9 6267 1 . ILE 10 10 6267 1 . ILE 11 11 6267 1 . VAL 12 12 6267 1 . ALA 13 13 6267 1 . SER 14 14 6267 1 . ASP 15 15 6267 1 . ALA 16 16 6267 1 . GLY 17 17 6267 1 . MET 18 18 6267 1 . GLY 19 19 6267 1 . SER 20 20 6267 1 . SER 21 21 6267 1 . ALA 22 22 6267 1 . MET 23 23 6267 1 . GLY 24 24 6267 1 . ALA 25 25 6267 1 . GLY 26 26 6267 1 . VAL 27 27 6267 1 . LEU 28 28 6267 1 . ARG 29 29 6267 1 . LYS 30 30 6267 1 . LYS 31 31 6267 1 . ILE 32 32 6267 1 . GLN 33 33 6267 1 . ASP 34 34 6267 1 . ALA 35 35 6267 1 . GLY 36 36 6267 1 . LEU 37 37 6267 1 . SER 38 38 6267 1 . GLN 39 39 6267 1 . ILE 40 40 6267 1 . SER 41 41 6267 1 . VAL 42 42 6267 1 . THR 43 43 6267 1 . ASN 44 44 6267 1 . SER 45 45 6267 1 . ALA 46 46 6267 1 . ILE 47 47 6267 1 . ASN 48 48 6267 1 . ASN 49 49 6267 1 . LEU 50 50 6267 1 . PRO 51 51 6267 1 . PRO 52 52 6267 1 . ASP 53 53 6267 1 . VAL 54 54 6267 1 . ASP 55 55 6267 1 . LEU 56 56 6267 1 . VAL 57 57 6267 1 . ILE 58 58 6267 1 . THR 59 59 6267 1 . HIS 60 60 6267 1 . ARG 61 61 6267 1 . ASP 62 62 6267 1 . LEU 63 63 6267 1 . THR 64 64 6267 1 . GLU 65 65 6267 1 . ARG 66 66 6267 1 . ALA 67 67 6267 1 . MET 68 68 6267 1 . ARG 69 69 6267 1 . GLN 70 70 6267 1 . VAL 71 71 6267 1 . PRO 72 72 6267 1 . GLN 73 73 6267 1 . ALA 74 74 6267 1 . GLN 75 75 6267 1 . HIS 76 76 6267 1 . ILE 77 77 6267 1 . SER 78 78 6267 1 . LEU 79 79 6267 1 . THR 80 80 6267 1 . ASN 81 81 6267 1 . PHE 82 82 6267 1 . LEU 83 83 6267 1 . ASP 84 84 6267 1 . SER 85 85 6267 1 . GLY 86 86 6267 1 . LEU 87 87 6267 1 . TYR 88 88 6267 1 . THR 89 89 6267 1 . SER 90 90 6267 1 . LEU 91 91 6267 1 . THR 92 92 6267 1 . GLU 93 93 6267 1 . ARG 94 94 6267 1 . LEU 95 95 6267 1 . VAL 96 96 6267 1 . ALA 97 97 6267 1 . ALA 98 98 6267 1 . GLN 99 99 6267 1 . ARG 100 100 6267 1 . HIS 101 101 6267 1 . THR 102 102 6267 1 . ALA 103 103 6267 1 . ASN 104 104 6267 1 . GLU 105 105 6267 1 . GLU 106 106 6267 1 . LYS 107 107 6267 1 . VAL 108 108 6267 1 . LYS 109 109 6267 1 . ASP 110 110 6267 1 . SER 111 111 6267 1 . LEU 112 112 6267 1 . LYS 113 113 6267 1 . ASP 114 114 6267 1 . SER 115 115 6267 1 . PHE 116 116 6267 1 . ASP 117 117 6267 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6267 _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 $phospho-IIB-mannitol . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6267 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 6267 _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 $phospho-IIB-mannitol . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . . . . . . . . 6267 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 6267 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 phospho-IIB-mannitol '[U-13C; U-15N]' . . 1 $phospho-IIB-mannitol . . 2.0 . . mM . . . . 6267 1 2 'Tris-Acetate buffer' . . . . . . . 20 . . mM . . . . 6267 1 3 DTT . . . . . . . 3 . . mM . . . . 6267 1 4 NaN3 . . . . . . . 1 . . mM . . . . 6267 1 5 D2O . . . . . . . 5 . . % . . . . 6267 1 6 EDTA . . . . . . . 1 . . mM . . . . 6267 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6267 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.2 0 pH 6267 1 temperature 293 0 K 6267 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6267 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity INOVA' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6267 _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 600MHz_spectrometer Varian 'Unity INOVA' . 600 . . . 6267 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 6267 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 [15N,1H]-cpmg-HSQC . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 2 HNCA . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 3 HN(CO)CA . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 4 HN(CA)CO . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 5 HNCO . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 6 HNCACB . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 7 CBCA(CO)NH . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 8 COCAH . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 9 HC(C)H-TOCSY . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 10 HBHA(CBCACO)NH . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 11 CBCGCDCEHE . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 12 CBCGCDHD . . . . . . . . . . . 1 $sample . . . 1 $Ex-cond_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6267 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name [15N,1H]-cpmg-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name COCAH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HC(C)H-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHA(CBCACO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name CBCGCDCEHE _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 6267 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name CBCGCDHD _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6267 _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 internal indirect 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6267 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6267 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 1.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6267 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6267 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 [15N,1H]-cpmg-HSQC 1 $sample . 6267 1 2 HNCA 1 $sample . 6267 1 3 HN(CO)CA 1 $sample . 6267 1 4 HN(CA)CO 1 $sample . 6267 1 5 HNCO 1 $sample . 6267 1 6 HNCACB 1 $sample . 6267 1 7 CBCA(CO)NH 1 $sample . 6267 1 8 COCAH 1 $sample . 6267 1 9 HC(C)H-TOCSY 1 $sample . 6267 1 10 HBHA(CBCACO)NH 1 $sample . 6267 1 11 CBCGCDCEHE 1 $sample . 6267 1 12 CBCGCDHD 1 $sample . 6267 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 3.849 0.02 . 1 . . . . . . . . 6267 1 2 . 1 1 1 1 GLY HA3 H 1 3.849 0.02 . 1 . . . . . . . . 6267 1 3 . 1 1 1 1 GLY C C 13 170.30 0.2 . 1 . . . . . . . . 6267 1 4 . 1 1 1 1 GLY CA C 13 43.47 0.2 . 1 . . . . . . . . 6267 1 5 . 1 1 2 2 SER HA H 1 4.519 0.02 . 1 . . . . . . . . 6267 1 6 . 1 1 2 2 SER HB2 H 1 3.893 0.02 . 2 . . . . . . . . 6267 1 7 . 1 1 2 2 SER HB3 H 1 3.825 0.02 . 2 . . . . . . . . 6267 1 8 . 1 1 2 2 SER C C 13 174.80 0.2 . 1 . . . . . . . . 6267 1 9 . 1 1 2 2 SER CA C 13 58.00 0.2 . 1 . . . . . . . . 6267 1 10 . 1 1 2 2 SER CB C 13 64.13 0.2 . 1 . . . . . . . . 6267 1 11 . 1 1 3 3 HIS HA H 1 4.632 0.02 . 1 . . . . . . . . 6267 1 12 . 1 1 3 3 HIS HB2 H 1 3.141 0.02 . 2 . . . . . . . . 6267 1 13 . 1 1 3 3 HIS HB3 H 1 3.109 0.02 . 2 . . . . . . . . 6267 1 14 . 1 1 3 3 HIS HD2 H 1 7.085 0.02 . 1 . . . . . . . . 6267 1 15 . 1 1 3 3 HIS C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 16 . 1 1 3 3 HIS CA C 13 57.07 0.2 . 1 . . . . . . . . 6267 1 17 . 1 1 3 3 HIS CB C 13 30.27 0.2 . 1 . . . . . . . . 6267 1 18 . 1 1 4 4 MET HA H 1 4.393 0.02 . 1 . . . . . . . . 6267 1 19 . 1 1 4 4 MET HB2 H 1 1.899 0.02 . 1 . . . . . . . . 6267 1 20 . 1 1 4 4 MET HB3 H 1 1.899 0.02 . 1 . . . . . . . . 6267 1 21 . 1 1 4 4 MET HG2 H 1 2.488 0.02 . 2 . . . . . . . . 6267 1 22 . 1 1 4 4 MET HG3 H 1 2.415 0.02 . 2 . . . . . . . . 6267 1 23 . 1 1 4 4 MET C C 13 177.50 0.2 . 1 . . . . . . . . 6267 1 24 . 1 1 4 4 MET CA C 13 56.39 0.2 . 1 . . . . . . . . 6267 1 25 . 1 1 4 4 MET CB C 13 32.83 0.2 . 1 . . . . . . . . 6267 1 26 . 1 1 4 4 MET CG C 13 33.07 0.2 . 1 . . . . . . . . 6267 1 27 . 1 1 5 5 SER H H 1 8.564 0.02 . 1 . . . . . . . . 6267 1 28 . 1 1 5 5 SER HA H 1 3.964 0.02 . 1 . . . . . . . . 6267 1 29 . 1 1 5 5 SER HB2 H 1 3.906 0.02 . 2 . . . . . . . . 6267 1 30 . 1 1 5 5 SER HB3 H 1 3.837 0.02 . 2 . . . . . . . . 6267 1 31 . 1 1 5 5 SER C C 13 174.20 0.2 . 1 . . . . . . . . 6267 1 32 . 1 1 5 5 SER CA C 13 60.77 0.2 . 1 . . . . . . . . 6267 1 33 . 1 1 5 5 SER CB C 13 63.04 0.2 . 1 . . . . . . . . 6267 1 34 . 1 1 5 5 SER N N 15 115.60 0.2 . 1 . . . . . . . . 6267 1 35 . 1 1 6 6 HIS HA H 1 4.680 0.02 . 1 . . . . . . . . 6267 1 36 . 1 1 6 6 HIS HB2 H 1 3.223 0.02 . 2 . . . . . . . . 6267 1 37 . 1 1 6 6 HIS HB3 H 1 3.036 0.02 . 2 . . . . . . . . 6267 1 38 . 1 1 6 6 HIS HD2 H 1 7.025 0.02 . 1 . . . . . . . . 6267 1 39 . 1 1 6 6 HIS C C 13 174.70 0.2 . 1 . . . . . . . . 6267 1 40 . 1 1 6 6 HIS CA C 13 55.24 0.2 . 1 . . . . . . . . 6267 1 41 . 1 1 6 6 HIS CB C 13 30.07 0.2 . 1 . . . . . . . . 6267 1 42 . 1 1 7 7 VAL H H 1 6.961 0.02 . 1 . . . . . . . . 6267 1 43 . 1 1 7 7 VAL HA H 1 3.293 0.02 . 1 . . . . . . . . 6267 1 44 . 1 1 7 7 VAL HB H 1 1.801 0.02 . 1 . . . . . . . . 6267 1 45 . 1 1 7 7 VAL HG11 H 1 0.854 0.02 . 2 . . . . . . . . 6267 1 46 . 1 1 7 7 VAL HG12 H 1 0.854 0.02 . 2 . . . . . . . . 6267 1 47 . 1 1 7 7 VAL HG13 H 1 0.854 0.02 . 2 . . . . . . . . 6267 1 48 . 1 1 7 7 VAL HG21 H 1 0.729 0.02 . 2 . . . . . . . . 6267 1 49 . 1 1 7 7 VAL HG22 H 1 0.729 0.02 . 2 . . . . . . . . 6267 1 50 . 1 1 7 7 VAL HG23 H 1 0.729 0.02 . 2 . . . . . . . . 6267 1 51 . 1 1 7 7 VAL C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 52 . 1 1 7 7 VAL CA C 13 64.71 0.2 . 1 . . . . . . . . 6267 1 53 . 1 1 7 7 VAL CB C 13 31.84 0.2 . 1 . . . . . . . . 6267 1 54 . 1 1 7 7 VAL CG1 C 13 22.62 0.2 . 2 . . . . . . . . 6267 1 55 . 1 1 7 7 VAL CG2 C 13 21.75 0.2 . 2 . . . . . . . . 6267 1 56 . 1 1 7 7 VAL N N 15 120.80 0.2 . 1 . . . . . . . . 6267 1 57 . 1 1 8 8 ARG H H 1 9.121 0.02 . 1 . . . . . . . . 6267 1 58 . 1 1 8 8 ARG HA H 1 4.648 0.02 . 1 . . . . . . . . 6267 1 59 . 1 1 8 8 ARG HB2 H 1 1.987 0.02 . 2 . . . . . . . . 6267 1 60 . 1 1 8 8 ARG HB3 H 1 1.829 0.02 . 2 . . . . . . . . 6267 1 61 . 1 1 8 8 ARG HG2 H 1 1.657 0.02 . 2 . . . . . . . . 6267 1 62 . 1 1 8 8 ARG HG3 H 1 1.584 0.02 . 2 . . . . . . . . 6267 1 63 . 1 1 8 8 ARG HD2 H 1 3.211 0.02 . 2 . . . . . . . . 6267 1 64 . 1 1 8 8 ARG HD3 H 1 3.163 0.02 . 2 . . . . . . . . 6267 1 65 . 1 1 8 8 ARG C C 13 175.40 0.2 . 1 . . . . . . . . 6267 1 66 . 1 1 8 8 ARG CA C 13 56.17 0.2 . 1 . . . . . . . . 6267 1 67 . 1 1 8 8 ARG CB C 13 33.04 0.2 . 1 . . . . . . . . 6267 1 68 . 1 1 8 8 ARG CG C 13 27.10 0.2 . 1 . . . . . . . . 6267 1 69 . 1 1 8 8 ARG CD C 13 43.37 0.2 . 1 . . . . . . . . 6267 1 70 . 1 1 8 8 ARG N N 15 126.90 0.2 . 1 . . . . . . . . 6267 1 71 . 1 1 9 9 LYS H H 1 9.023 0.02 . 1 . . . . . . . . 6267 1 72 . 1 1 9 9 LYS HA H 1 4.956 0.02 . 1 . . . . . . . . 6267 1 73 . 1 1 9 9 LYS HB2 H 1 1.789 0.02 . 2 . . . . . . . . 6267 1 74 . 1 1 9 9 LYS HB3 H 1 1.703 0.02 . 2 . . . . . . . . 6267 1 75 . 1 1 9 9 LYS HG2 H 1 1.152 0.02 . 1 . . . . . . . . 6267 1 76 . 1 1 9 9 LYS HG3 H 1 1.152 0.02 . 1 . . . . . . . . 6267 1 77 . 1 1 9 9 LYS HD2 H 1 1.462 0.02 . 1 . . . . . . . . 6267 1 78 . 1 1 9 9 LYS HD3 H 1 1.462 0.02 . 1 . . . . . . . . 6267 1 79 . 1 1 9 9 LYS HE2 H 1 2.861 0.02 . 2 . . . . . . . . 6267 1 80 . 1 1 9 9 LYS HE3 H 1 2.711 0.02 . 2 . . . . . . . . 6267 1 81 . 1 1 9 9 LYS C C 13 174.70 0.2 . 1 . . . . . . . . 6267 1 82 . 1 1 9 9 LYS CA C 13 56.53 0.2 . 1 . . . . . . . . 6267 1 83 . 1 1 9 9 LYS CB C 13 35.37 0.2 . 1 . . . . . . . . 6267 1 84 . 1 1 9 9 LYS CG C 13 25.90 0.2 . 1 . . . . . . . . 6267 1 85 . 1 1 9 9 LYS CD C 13 29.34 0.2 . 1 . . . . . . . . 6267 1 86 . 1 1 9 9 LYS CE C 13 41.95 0.2 . 1 . . . . . . . . 6267 1 87 . 1 1 9 9 LYS N N 15 123.20 0.2 . 1 . . . . . . . . 6267 1 88 . 1 1 10 10 ILE H H 1 8.955 0.02 . 1 . . . . . . . . 6267 1 89 . 1 1 10 10 ILE HA H 1 5.056 0.02 . 1 . . . . . . . . 6267 1 90 . 1 1 10 10 ILE HB H 1 1.745 0.02 . 1 . . . . . . . . 6267 1 91 . 1 1 10 10 ILE HG21 H 1 0.695 0.02 . 1 . . . . . . . . 6267 1 92 . 1 1 10 10 ILE HG22 H 1 0.695 0.02 . 1 . . . . . . . . 6267 1 93 . 1 1 10 10 ILE HG23 H 1 0.695 0.02 . 1 . . . . . . . . 6267 1 94 . 1 1 10 10 ILE HD11 H 1 0.675 0.02 . 1 . . . . . . . . 6267 1 95 . 1 1 10 10 ILE HD12 H 1 0.675 0.02 . 1 . . . . . . . . 6267 1 96 . 1 1 10 10 ILE HD13 H 1 0.675 0.02 . 1 . . . . . . . . 6267 1 97 . 1 1 10 10 ILE C C 13 175.20 0.2 . 1 . . . . . . . . 6267 1 98 . 1 1 10 10 ILE CA C 13 59.91 0.2 . 1 . . . . . . . . 6267 1 99 . 1 1 10 10 ILE CB C 13 40.23 0.2 . 1 . . . . . . . . 6267 1 100 . 1 1 10 10 ILE CG2 C 13 16.49 0.2 . 1 . . . . . . . . 6267 1 101 . 1 1 10 10 ILE CD1 C 13 14.50 0.2 . 1 . . . . . . . . 6267 1 102 . 1 1 10 10 ILE N N 15 126.60 0.2 . 1 . . . . . . . . 6267 1 103 . 1 1 11 11 ILE H H 1 8.661 0.02 . 1 . . . . . . . . 6267 1 104 . 1 1 11 11 ILE HA H 1 5.050 0.02 . 1 . . . . . . . . 6267 1 105 . 1 1 11 11 ILE HB H 1 1.362 0.02 . 1 . . . . . . . . 6267 1 106 . 1 1 11 11 ILE C C 13 174.30 0.2 . 1 . . . . . . . . 6267 1 107 . 1 1 11 11 ILE CA C 13 59.01 0.2 . 1 . . . . . . . . 6267 1 108 . 1 1 11 11 ILE CB C 13 42.51 0.2 . 1 . . . . . . . . 6267 1 109 . 1 1 11 11 ILE N N 15 126.00 0.2 . 1 . . . . . . . . 6267 1 110 . 1 1 12 12 VAL H H 1 8.590 0.02 . 1 . . . . . . . . 6267 1 111 . 1 1 12 12 VAL HA H 1 4.872 0.02 . 1 . . . . . . . . 6267 1 112 . 1 1 12 12 VAL HB H 1 2.069 0.02 . 1 . . . . . . . . 6267 1 113 . 1 1 12 12 VAL HG11 H 1 1.096 0.02 . 2 . . . . . . . . 6267 1 114 . 1 1 12 12 VAL HG12 H 1 1.096 0.02 . 2 . . . . . . . . 6267 1 115 . 1 1 12 12 VAL HG13 H 1 1.096 0.02 . 2 . . . . . . . . 6267 1 116 . 1 1 12 12 VAL HG21 H 1 0.746 0.02 . 2 . . . . . . . . 6267 1 117 . 1 1 12 12 VAL HG22 H 1 0.746 0.02 . 2 . . . . . . . . 6267 1 118 . 1 1 12 12 VAL HG23 H 1 0.746 0.02 . 2 . . . . . . . . 6267 1 119 . 1 1 12 12 VAL C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 120 . 1 1 12 12 VAL CA C 13 60.93 0.2 . 1 . . . . . . . . 6267 1 121 . 1 1 12 12 VAL CB C 13 31.84 0.2 . 1 . . . . . . . . 6267 1 122 . 1 1 12 12 VAL CG1 C 13 23.16 0.2 . 2 . . . . . . . . 6267 1 123 . 1 1 12 12 VAL CG2 C 13 20.02 0.2 . 2 . . . . . . . . 6267 1 124 . 1 1 12 12 VAL N N 15 128.50 0.2 . 1 . . . . . . . . 6267 1 125 . 1 1 13 13 ALA H H 1 9.312 0.02 . 1 . . . . . . . . 6267 1 126 . 1 1 13 13 ALA HA H 1 6.045 0.02 . 1 . . . . . . . . 6267 1 127 . 1 1 13 13 ALA HB1 H 1 1.157 0.02 . 1 . . . . . . . . 6267 1 128 . 1 1 13 13 ALA HB2 H 1 1.157 0.02 . 1 . . . . . . . . 6267 1 129 . 1 1 13 13 ALA HB3 H 1 1.157 0.02 . 1 . . . . . . . . 6267 1 130 . 1 1 13 13 ALA C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 131 . 1 1 13 13 ALA CA C 13 50.08 0.2 . 1 . . . . . . . . 6267 1 132 . 1 1 13 13 ALA CB C 13 24.24 0.2 . 1 . . . . . . . . 6267 1 133 . 1 1 13 13 ALA N N 15 129.50 0.2 . 1 . . . . . . . . 6267 1 134 . 1 1 14 14 SER H H 1 7.877 0.02 . 1 . . . . . . . . 6267 1 135 . 1 1 14 14 SER HA H 1 4.847 0.02 . 1 . . . . . . . . 6267 1 136 . 1 1 14 14 SER HB2 H 1 4.622 0.02 . 2 . . . . . . . . 6267 1 137 . 1 1 14 14 SER HB3 H 1 3.940 0.02 . 2 . . . . . . . . 6267 1 138 . 1 1 14 14 SER C C 13 172.40 0.2 . 1 . . . . . . . . 6267 1 139 . 1 1 14 14 SER CA C 13 56.13 0.2 . 1 . . . . . . . . 6267 1 140 . 1 1 14 14 SER CB C 13 68.26 0.2 . 1 . . . . . . . . 6267 1 141 . 1 1 14 14 SER N N 15 113.40 0.2 . 1 . . . . . . . . 6267 1 142 . 1 1 15 15 ASP H H 1 9.253 0.02 . 1 . . . . . . . . 6267 1 143 . 1 1 15 15 ASP HA H 1 4.450 0.02 . 1 . . . . . . . . 6267 1 144 . 1 1 15 15 ASP HB2 H 1 2.768 0.02 . 1 . . . . . . . . 6267 1 145 . 1 1 15 15 ASP HB3 H 1 2.768 0.02 . 1 . . . . . . . . 6267 1 146 . 1 1 15 15 ASP C C 13 176.70 0.2 . 1 . . . . . . . . 6267 1 147 . 1 1 15 15 ASP CA C 13 59.61 0.2 . 1 . . . . . . . . 6267 1 148 . 1 1 15 15 ASP CB C 13 41.90 0.2 . 1 . . . . . . . . 6267 1 149 . 1 1 15 15 ASP N N 15 121.40 0.2 . 1 . . . . . . . . 6267 1 150 . 1 1 16 16 ALA H H 1 8.323 0.02 . 1 . . . . . . . . 6267 1 151 . 1 1 16 16 ALA HA H 1 4.622 0.02 . 1 . . . . . . . . 6267 1 152 . 1 1 16 16 ALA HB1 H 1 1.449 0.02 . 1 . . . . . . . . 6267 1 153 . 1 1 16 16 ALA HB2 H 1 1.449 0.02 . 1 . . . . . . . . 6267 1 154 . 1 1 16 16 ALA HB3 H 1 1.449 0.02 . 1 . . . . . . . . 6267 1 155 . 1 1 16 16 ALA C C 13 178.90 0.2 . 1 . . . . . . . . 6267 1 156 . 1 1 16 16 ALA CA C 13 52.22 0.2 . 1 . . . . . . . . 6267 1 157 . 1 1 16 16 ALA CB C 13 19.39 0.2 . 1 . . . . . . . . 6267 1 158 . 1 1 16 16 ALA N N 15 116.50 0.2 . 1 . . . . . . . . 6267 1 159 . 1 1 17 17 GLY H H 1 8.015 0.02 . 1 . . . . . . . . 6267 1 160 . 1 1 17 17 GLY HA2 H 1 3.637 0.02 . 2 . . . . . . . . 6267 1 161 . 1 1 17 17 GLY HA3 H 1 3.828 0.02 . 2 . . . . . . . . 6267 1 162 . 1 1 17 17 GLY C C 13 174.60 0.2 . 1 . . . . . . . . 6267 1 163 . 1 1 17 17 GLY CA C 13 46.11 0.2 . 1 . . . . . . . . 6267 1 164 . 1 1 17 17 GLY N N 15 110.70 0.2 . 1 . . . . . . . . 6267 1 165 . 1 1 18 18 MET H H 1 9.315 0.02 . 1 . . . . . . . . 6267 1 166 . 1 1 18 18 MET HA H 1 4.749 0.02 . 1 . . . . . . . . 6267 1 167 . 1 1 18 18 MET HB2 H 1 2.158 0.02 . 2 . . . . . . . . 6267 1 168 . 1 1 18 18 MET HB3 H 1 1.675 0.02 . 2 . . . . . . . . 6267 1 169 . 1 1 18 18 MET HG2 H 1 2.489 0.02 . 2 . . . . . . . . 6267 1 170 . 1 1 18 18 MET HG3 H 1 2.332 0.02 . 2 . . . . . . . . 6267 1 171 . 1 1 18 18 MET C C 13 176.10 0.2 . 1 . . . . . . . . 6267 1 172 . 1 1 18 18 MET CA C 13 54.67 0.2 . 1 . . . . . . . . 6267 1 173 . 1 1 18 18 MET CB C 13 35.68 0.2 . 1 . . . . . . . . 6267 1 174 . 1 1 18 18 MET CG C 13 31.58 0.2 . 1 . . . . . . . . 6267 1 175 . 1 1 18 18 MET N N 15 118.20 0.2 . 1 . . . . . . . . 6267 1 176 . 1 1 19 19 GLY H H 1 9.733 0.02 . 1 . . . . . . . . 6267 1 177 . 1 1 19 19 GLY HA2 H 1 4.434 0.02 . 2 . . . . . . . . 6267 1 178 . 1 1 19 19 GLY HA3 H 1 3.686 0.02 . 2 . . . . . . . . 6267 1 179 . 1 1 19 19 GLY C C 13 175.50 0.2 . 1 . . . . . . . . 6267 1 180 . 1 1 19 19 GLY CA C 13 45.97 0.2 . 1 . . . . . . . . 6267 1 181 . 1 1 19 19 GLY N N 15 115.40 0.2 . 1 . . . . . . . . 6267 1 182 . 1 1 20 20 SER H H 1 9.628 0.02 . 1 . . . . . . . . 6267 1 183 . 1 1 20 20 SER HA H 1 4.030 0.02 . 1 . . . . . . . . 6267 1 184 . 1 1 20 20 SER HB2 H 1 3.502 0.02 . 2 . . . . . . . . 6267 1 185 . 1 1 20 20 SER HB3 H 1 3.436 0.02 . 2 . . . . . . . . 6267 1 186 . 1 1 20 20 SER C C 13 175.30 0.2 . 1 . . . . . . . . 6267 1 187 . 1 1 20 20 SER CA C 13 62.34 0.2 . 1 . . . . . . . . 6267 1 188 . 1 1 20 20 SER CB C 13 62.70 0.2 . 1 . . . . . . . . 6267 1 189 . 1 1 20 20 SER N N 15 129.90 0.2 . 1 . . . . . . . . 6267 1 190 . 1 1 21 21 SER H H 1 9.936 0.02 . 1 . . . . . . . . 6267 1 191 . 1 1 21 21 SER HA H 1 3.478 0.02 . 1 . . . . . . . . 6267 1 192 . 1 1 21 21 SER HB2 H 1 3.527 0.02 . 2 . . . . . . . . 6267 1 193 . 1 1 21 21 SER HB3 H 1 3.444 0.02 . 2 . . . . . . . . 6267 1 194 . 1 1 21 21 SER C C 13 176.70 0.2 . 1 . . . . . . . . 6267 1 195 . 1 1 21 21 SER CA C 13 62.25 0.2 . 1 . . . . . . . . 6267 1 196 . 1 1 21 21 SER CB C 13 61.46 0.2 . 1 . . . . . . . . 6267 1 197 . 1 1 21 21 SER N N 15 120.10 0.2 . 1 . . . . . . . . 6267 1 198 . 1 1 22 22 ALA H H 1 6.811 0.02 . 1 . . . . . . . . 6267 1 199 . 1 1 22 22 ALA HA H 1 3.756 0.02 . 1 . . . . . . . . 6267 1 200 . 1 1 22 22 ALA HB1 H 1 1.307 0.02 . 1 . . . . . . . . 6267 1 201 . 1 1 22 22 ALA HB2 H 1 1.307 0.02 . 1 . . . . . . . . 6267 1 202 . 1 1 22 22 ALA HB3 H 1 1.307 0.02 . 1 . . . . . . . . 6267 1 203 . 1 1 22 22 ALA C C 13 180.70 0.2 . 1 . . . . . . . . 6267 1 204 . 1 1 22 22 ALA CA C 13 54.67 0.2 . 1 . . . . . . . . 6267 1 205 . 1 1 22 22 ALA CB C 13 17.93 0.2 . 1 . . . . . . . . 6267 1 206 . 1 1 22 22 ALA N N 15 126.40 0.2 . 1 . . . . . . . . 6267 1 207 . 1 1 23 23 MET H H 1 7.276 0.02 . 1 . . . . . . . . 6267 1 208 . 1 1 23 23 MET HA H 1 4.186 0.02 . 1 . . . . . . . . 6267 1 209 . 1 1 23 23 MET HB2 H 1 2.125 0.02 . 2 . . . . . . . . 6267 1 210 . 1 1 23 23 MET HB3 H 1 2.111 0.02 . 2 . . . . . . . . 6267 1 211 . 1 1 23 23 MET HG2 H 1 2.617 0.02 . 2 . . . . . . . . 6267 1 212 . 1 1 23 23 MET HG3 H 1 2.521 0.02 . 2 . . . . . . . . 6267 1 213 . 1 1 23 23 MET C C 13 179.70 0.2 . 1 . . . . . . . . 6267 1 214 . 1 1 23 23 MET CA C 13 58.01 0.2 . 1 . . . . . . . . 6267 1 215 . 1 1 23 23 MET CB C 13 32.25 0.2 . 1 . . . . . . . . 6267 1 216 . 1 1 23 23 MET CG C 13 31.88 0.2 . 1 . . . . . . . . 6267 1 217 . 1 1 23 23 MET N N 15 118.80 0.2 . 1 . . . . . . . . 6267 1 218 . 1 1 24 24 GLY H H 1 8.812 0.02 . 1 . . . . . . . . 6267 1 219 . 1 1 24 24 GLY HA2 H 1 3.983 0.02 . 2 . . . . . . . . 6267 1 220 . 1 1 24 24 GLY HA3 H 1 3.872 0.02 . 2 . . . . . . . . 6267 1 221 . 1 1 24 24 GLY C C 13 174.40 0.2 . 1 . . . . . . . . 6267 1 222 . 1 1 24 24 GLY CA C 13 48.10 0.2 . 1 . . . . . . . . 6267 1 223 . 1 1 24 24 GLY N N 15 107.80 0.2 . 1 . . . . . . . . 6267 1 224 . 1 1 25 25 ALA H H 1 8.286 0.02 . 1 . . . . . . . . 6267 1 225 . 1 1 25 25 ALA HA H 1 3.636 0.02 . 1 . . . . . . . . 6267 1 226 . 1 1 25 25 ALA HB1 H 1 1.199 0.02 . 1 . . . . . . . . 6267 1 227 . 1 1 25 25 ALA HB2 H 1 1.199 0.02 . 1 . . . . . . . . 6267 1 228 . 1 1 25 25 ALA HB3 H 1 1.199 0.02 . 1 . . . . . . . . 6267 1 229 . 1 1 25 25 ALA C C 13 178.60 0.2 . 1 . . . . . . . . 6267 1 230 . 1 1 25 25 ALA CA C 13 55.24 0.2 . 1 . . . . . . . . 6267 1 231 . 1 1 25 25 ALA CB C 13 17.97 0.2 . 1 . . . . . . . . 6267 1 232 . 1 1 25 25 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 6267 1 233 . 1 1 26 26 GLY H H 1 7.614 0.02 . 1 . . . . . . . . 6267 1 234 . 1 1 26 26 GLY HA2 H 1 3.857 0.02 . 2 . . . . . . . . 6267 1 235 . 1 1 26 26 GLY HA3 H 1 3.672 0.02 . 2 . . . . . . . . 6267 1 236 . 1 1 26 26 GLY C C 13 176.50 0.2 . 1 . . . . . . . . 6267 1 237 . 1 1 26 26 GLY CA C 13 47.18 0.2 . 1 . . . . . . . . 6267 1 238 . 1 1 26 26 GLY N N 15 103.20 0.2 . 1 . . . . . . . . 6267 1 239 . 1 1 27 27 VAL H H 1 7.510 0.02 . 1 . . . . . . . . 6267 1 240 . 1 1 27 27 VAL HA H 1 3.637 0.02 . 1 . . . . . . . . 6267 1 241 . 1 1 27 27 VAL HB H 1 2.044 0.02 . 1 . . . . . . . . 6267 1 242 . 1 1 27 27 VAL HG11 H 1 1.110 0.02 . 2 . . . . . . . . 6267 1 243 . 1 1 27 27 VAL HG12 H 1 1.110 0.02 . 2 . . . . . . . . 6267 1 244 . 1 1 27 27 VAL HG13 H 1 1.110 0.02 . 2 . . . . . . . . 6267 1 245 . 1 1 27 27 VAL HG21 H 1 0.948 0.02 . 2 . . . . . . . . 6267 1 246 . 1 1 27 27 VAL HG22 H 1 0.948 0.02 . 2 . . . . . . . . 6267 1 247 . 1 1 27 27 VAL HG23 H 1 0.948 0.02 . 2 . . . . . . . . 6267 1 248 . 1 1 27 27 VAL C C 13 178.60 0.2 . 1 . . . . . . . . 6267 1 249 . 1 1 27 27 VAL CA C 13 65.91 0.2 . 1 . . . . . . . . 6267 1 250 . 1 1 27 27 VAL CB C 13 31.72 0.2 . 1 . . . . . . . . 6267 1 251 . 1 1 27 27 VAL CG1 C 13 22.15 0.2 . 2 . . . . . . . . 6267 1 252 . 1 1 27 27 VAL CG2 C 13 22.07 0.2 . 2 . . . . . . . . 6267 1 253 . 1 1 27 27 VAL N N 15 122.80 0.2 . 1 . . . . . . . . 6267 1 254 . 1 1 28 28 LEU H H 1 7.693 0.02 . 1 . . . . . . . . 6267 1 255 . 1 1 28 28 LEU HA H 1 3.607 0.02 . 1 . . . . . . . . 6267 1 256 . 1 1 28 28 LEU HB2 H 1 1.313 0.02 . 2 . . . . . . . . 6267 1 257 . 1 1 28 28 LEU HB3 H 1 0.469 0.02 . 2 . . . . . . . . 6267 1 258 . 1 1 28 28 LEU HG H 1 0.870 0.02 . 1 . . . . . . . . 6267 1 259 . 1 1 28 28 LEU HD11 H 1 1.331 0.02 . 2 . . . . . . . . 6267 1 260 . 1 1 28 28 LEU HD12 H 1 1.331 0.02 . 2 . . . . . . . . 6267 1 261 . 1 1 28 28 LEU HD13 H 1 1.331 0.02 . 2 . . . . . . . . 6267 1 262 . 1 1 28 28 LEU HD21 H 1 0.608 0.02 . 2 . . . . . . . . 6267 1 263 . 1 1 28 28 LEU HD22 H 1 0.608 0.02 . 2 . . . . . . . . 6267 1 264 . 1 1 28 28 LEU HD23 H 1 0.608 0.02 . 2 . . . . . . . . 6267 1 265 . 1 1 28 28 LEU C C 13 177.00 0.2 . 1 . . . . . . . . 6267 1 266 . 1 1 28 28 LEU CA C 13 57.69 0.2 . 1 . . . . . . . . 6267 1 267 . 1 1 28 28 LEU CB C 13 39.68 0.2 . 1 . . . . . . . . 6267 1 268 . 1 1 28 28 LEU CG C 13 22.24 0.2 . 1 . . . . . . . . 6267 1 269 . 1 1 28 28 LEU CD1 C 13 26.77 0.2 . 2 . . . . . . . . 6267 1 270 . 1 1 28 28 LEU CD2 C 13 26.62 0.2 . 2 . . . . . . . . 6267 1 271 . 1 1 28 28 LEU N N 15 120.50 0.2 . 1 . . . . . . . . 6267 1 272 . 1 1 29 29 ARG H H 1 8.960 0.02 . 1 . . . . . . . . 6267 1 273 . 1 1 29 29 ARG HA H 1 3.540 0.02 . 1 . . . . . . . . 6267 1 274 . 1 1 29 29 ARG HB2 H 1 1.827 0.02 . 2 . . . . . . . . 6267 1 275 . 1 1 29 29 ARG HB3 H 1 1.757 0.02 . 2 . . . . . . . . 6267 1 276 . 1 1 29 29 ARG HG2 H 1 1.653 0.02 . 2 . . . . . . . . 6267 1 277 . 1 1 29 29 ARG HG3 H 1 1.484 0.02 . 2 . . . . . . . . 6267 1 278 . 1 1 29 29 ARG HD2 H 1 3.392 0.02 . 2 . . . . . . . . 6267 1 279 . 1 1 29 29 ARG HD3 H 1 3.278 0.02 . 2 . . . . . . . . 6267 1 280 . 1 1 29 29 ARG C C 13 177.80 0.2 . 1 . . . . . . . . 6267 1 281 . 1 1 29 29 ARG CA C 13 60.20 0.2 . 1 . . . . . . . . 6267 1 282 . 1 1 29 29 ARG CB C 13 30.51 0.2 . 1 . . . . . . . . 6267 1 283 . 1 1 29 29 ARG CG C 13 27.44 0.2 . 1 . . . . . . . . 6267 1 284 . 1 1 29 29 ARG CD C 13 43.64 0.2 . 1 . . . . . . . . 6267 1 285 . 1 1 29 29 ARG N N 15 118.60 0.2 . 1 . . . . . . . . 6267 1 286 . 1 1 30 30 LYS H H 1 7.204 0.02 . 1 . . . . . . . . 6267 1 287 . 1 1 30 30 LYS HA H 1 4.089 0.02 . 1 . . . . . . . . 6267 1 288 . 1 1 30 30 LYS HB2 H 1 1.994 0.02 . 2 . . . . . . . . 6267 1 289 . 1 1 30 30 LYS HB3 H 1 1.816 0.02 . 2 . . . . . . . . 6267 1 290 . 1 1 30 30 LYS HG2 H 1 1.483 0.02 . 2 . . . . . . . . 6267 1 291 . 1 1 30 30 LYS HG3 H 1 1.407 0.02 . 2 . . . . . . . . 6267 1 292 . 1 1 30 30 LYS HD2 H 1 1.790 0.02 . 2 . . . . . . . . 6267 1 293 . 1 1 30 30 LYS HD3 H 1 1.627 0.02 . 2 . . . . . . . . 6267 1 294 . 1 1 30 30 LYS HE2 H 1 3.037 0.02 . 2 . . . . . . . . 6267 1 295 . 1 1 30 30 LYS HE3 H 1 2.989 0.02 . 2 . . . . . . . . 6267 1 296 . 1 1 30 30 LYS C C 13 177.90 0.2 . 1 . . . . . . . . 6267 1 297 . 1 1 30 30 LYS CA C 13 58.94 0.2 . 1 . . . . . . . . 6267 1 298 . 1 1 30 30 LYS CB C 13 31.81 0.2 . 1 . . . . . . . . 6267 1 299 . 1 1 30 30 LYS CG C 13 24.82 0.2 . 1 . . . . . . . . 6267 1 300 . 1 1 30 30 LYS CD C 13 28.52 0.2 . 1 . . . . . . . . 6267 1 301 . 1 1 30 30 LYS CE C 13 42.36 0.2 . 1 . . . . . . . . 6267 1 302 . 1 1 30 30 LYS N N 15 117.50 0.2 . 1 . . . . . . . . 6267 1 303 . 1 1 31 31 LYS H H 1 7.445 0.02 . 1 . . . . . . . . 6267 1 304 . 1 1 31 31 LYS HA H 1 4.066 0.02 . 1 . . . . . . . . 6267 1 305 . 1 1 31 31 LYS C C 13 179.90 0.2 . 1 . . . . . . . . 6267 1 306 . 1 1 31 31 LYS CA C 13 59.77 0.2 . 1 . . . . . . . . 6267 1 307 . 1 1 31 31 LYS CB C 13 32.21 0.2 . 1 . . . . . . . . 6267 1 308 . 1 1 31 31 LYS N N 15 118.00 0.2 . 1 . . . . . . . . 6267 1 309 . 1 1 32 32 ILE H H 1 8.346 0.02 . 1 . . . . . . . . 6267 1 310 . 1 1 32 32 ILE HA H 1 3.637 0.02 . 1 . . . . . . . . 6267 1 311 . 1 1 32 32 ILE HB H 1 1.987 0.02 . 1 . . . . . . . . 6267 1 312 . 1 1 32 32 ILE HG12 H 1 1.508 0.02 . 2 . . . . . . . . 6267 1 313 . 1 1 32 32 ILE HG13 H 1 1.211 0.02 . 2 . . . . . . . . 6267 1 314 . 1 1 32 32 ILE HG21 H 1 0.892 0.02 . 1 . . . . . . . . 6267 1 315 . 1 1 32 32 ILE HG22 H 1 0.892 0.02 . 1 . . . . . . . . 6267 1 316 . 1 1 32 32 ILE HG23 H 1 0.892 0.02 . 1 . . . . . . . . 6267 1 317 . 1 1 32 32 ILE HD11 H 1 0.579 0.02 . 1 . . . . . . . . 6267 1 318 . 1 1 32 32 ILE HD12 H 1 0.579 0.02 . 1 . . . . . . . . 6267 1 319 . 1 1 32 32 ILE HD13 H 1 0.579 0.02 . 1 . . . . . . . . 6267 1 320 . 1 1 32 32 ILE C C 13 177.90 0.2 . 1 . . . . . . . . 6267 1 321 . 1 1 32 32 ILE CA C 13 64.36 0.2 . 1 . . . . . . . . 6267 1 322 . 1 1 32 32 ILE CB C 13 37.35 0.2 . 1 . . . . . . . . 6267 1 323 . 1 1 32 32 ILE CG1 C 13 29.67 0.2 . 1 . . . . . . . . 6267 1 324 . 1 1 32 32 ILE CG2 C 13 18.58 0.2 . 1 . . . . . . . . 6267 1 325 . 1 1 32 32 ILE CD1 C 13 13.07 0.2 . 1 . . . . . . . . 6267 1 326 . 1 1 32 32 ILE N N 15 121.30 0.2 . 1 . . . . . . . . 6267 1 327 . 1 1 33 33 GLN H H 1 8.424 0.02 . 1 . . . . . . . . 6267 1 328 . 1 1 33 33 GLN HA H 1 3.926 0.02 . 1 . . . . . . . . 6267 1 329 . 1 1 33 33 GLN HB2 H 1 2.227 0.02 . 2 . . . . . . . . 6267 1 330 . 1 1 33 33 GLN HB3 H 1 2.047 0.02 . 2 . . . . . . . . 6267 1 331 . 1 1 33 33 GLN HG2 H 1 2.580 0.02 . 2 . . . . . . . . 6267 1 332 . 1 1 33 33 GLN HG3 H 1 2.369 0.02 . 2 . . . . . . . . 6267 1 333 . 1 1 33 33 GLN HE21 H 1 7.562 0.02 . 2 . . . . . . . . 6267 1 334 . 1 1 33 33 GLN HE22 H 1 6.820 0.02 . 2 . . . . . . . . 6267 1 335 . 1 1 33 33 GLN C C 13 181.40 0.2 . 1 . . . . . . . . 6267 1 336 . 1 1 33 33 GLN CA C 13 59.00 0.2 . 1 . . . . . . . . 6267 1 337 . 1 1 33 33 GLN CB C 13 27.89 0.2 . 1 . . . . . . . . 6267 1 338 . 1 1 33 33 GLN CG C 13 34.18 0.2 . 1 . . . . . . . . 6267 1 339 . 1 1 33 33 GLN N N 15 120.20 0.2 . 1 . . . . . . . . 6267 1 340 . 1 1 33 33 GLN NE2 N 15 111.20 0.2 . 1 . . . . . . . . 6267 1 341 . 1 1 34 34 ASP H H 1 9.034 0.02 . 1 . . . . . . . . 6267 1 342 . 1 1 34 34 ASP HA H 1 4.354 0.02 . 1 . . . . . . . . 6267 1 343 . 1 1 34 34 ASP HB2 H 1 2.828 0.02 . 2 . . . . . . . . 6267 1 344 . 1 1 34 34 ASP HB3 H 1 2.626 0.02 . 2 . . . . . . . . 6267 1 345 . 1 1 34 34 ASP C C 13 177.70 0.2 . 1 . . . . . . . . 6267 1 346 . 1 1 34 34 ASP CA C 13 56.93 0.2 . 1 . . . . . . . . 6267 1 347 . 1 1 34 34 ASP CB C 13 39.71 0.2 . 1 . . . . . . . . 6267 1 348 . 1 1 34 34 ASP N N 15 122.80 0.2 . 1 . . . . . . . . 6267 1 349 . 1 1 35 35 ALA H H 1 7.490 0.02 . 1 . . . . . . . . 6267 1 350 . 1 1 35 35 ALA HA H 1 4.314 0.02 . 1 . . . . . . . . 6267 1 351 . 1 1 35 35 ALA HB1 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 352 . 1 1 35 35 ALA HB2 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 353 . 1 1 35 35 ALA HB3 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 354 . 1 1 35 35 ALA C C 13 177.50 0.2 . 1 . . . . . . . . 6267 1 355 . 1 1 35 35 ALA CA C 13 52.25 0.2 . 1 . . . . . . . . 6267 1 356 . 1 1 35 35 ALA CB C 13 18.83 0.2 . 1 . . . . . . . . 6267 1 357 . 1 1 35 35 ALA N N 15 120.00 0.2 . 1 . . . . . . . . 6267 1 358 . 1 1 36 36 GLY H H 1 7.909 0.02 . 1 . . . . . . . . 6267 1 359 . 1 1 36 36 GLY HA2 H 1 4.152 0.02 . 2 . . . . . . . . 6267 1 360 . 1 1 36 36 GLY HA3 H 1 3.844 0.02 . 2 . . . . . . . . 6267 1 361 . 1 1 36 36 GLY C C 13 175.50 0.2 . 1 . . . . . . . . 6267 1 362 . 1 1 36 36 GLY CA C 13 45.48 0.2 . 1 . . . . . . . . 6267 1 363 . 1 1 36 36 GLY N N 15 105.90 0.2 . 1 . . . . . . . . 6267 1 364 . 1 1 37 37 LEU H H 1 7.416 0.02 . 1 . . . . . . . . 6267 1 365 . 1 1 37 37 LEU HA H 1 4.712 0.02 . 1 . . . . . . . . 6267 1 366 . 1 1 37 37 LEU HB2 H 1 1.902 0.02 . 2 . . . . . . . . 6267 1 367 . 1 1 37 37 LEU HB3 H 1 1.328 0.02 . 2 . . . . . . . . 6267 1 368 . 1 1 37 37 LEU HG H 1 1.432 0.02 . 1 . . . . . . . . 6267 1 369 . 1 1 37 37 LEU HD11 H 1 0.846 0.02 . 2 . . . . . . . . 6267 1 370 . 1 1 37 37 LEU HD12 H 1 0.846 0.02 . 2 . . . . . . . . 6267 1 371 . 1 1 37 37 LEU HD13 H 1 0.846 0.02 . 2 . . . . . . . . 6267 1 372 . 1 1 37 37 LEU HD21 H 1 0.747 0.02 . 2 . . . . . . . . 6267 1 373 . 1 1 37 37 LEU HD22 H 1 0.747 0.02 . 2 . . . . . . . . 6267 1 374 . 1 1 37 37 LEU HD23 H 1 0.747 0.02 . 2 . . . . . . . . 6267 1 375 . 1 1 37 37 LEU C C 13 177.10 0.2 . 1 . . . . . . . . 6267 1 376 . 1 1 37 37 LEU CA C 13 53.20 0.2 . 1 . . . . . . . . 6267 1 377 . 1 1 37 37 LEU CB C 13 39.71 0.2 . 1 . . . . . . . . 6267 1 378 . 1 1 37 37 LEU CG C 13 26.01 0.2 . 1 . . . . . . . . 6267 1 379 . 1 1 37 37 LEU CD1 C 13 27.37 0.2 . 2 . . . . . . . . 6267 1 380 . 1 1 37 37 LEU CD2 C 13 23.07 0.2 . 2 . . . . . . . . 6267 1 381 . 1 1 37 37 LEU N N 15 122.10 0.2 . 1 . . . . . . . . 6267 1 382 . 1 1 38 38 SER H H 1 7.841 0.02 . 1 . . . . . . . . 6267 1 383 . 1 1 38 38 SER HA H 1 4.176 0.02 . 1 . . . . . . . . 6267 1 384 . 1 1 38 38 SER HB2 H 1 3.961 0.02 . 2 . . . . . . . . 6267 1 385 . 1 1 38 38 SER HB3 H 1 3.857 0.02 . 2 . . . . . . . . 6267 1 386 . 1 1 38 38 SER C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 387 . 1 1 38 38 SER CA C 13 60.09 0.2 . 1 . . . . . . . . 6267 1 388 . 1 1 38 38 SER CB C 13 63.60 0.2 . 1 . . . . . . . . 6267 1 389 . 1 1 38 38 SER N N 15 115.60 0.2 . 1 . . . . . . . . 6267 1 390 . 1 1 39 39 GLN H H 1 9.138 0.02 . 1 . . . . . . . . 6267 1 391 . 1 1 39 39 GLN HA H 1 4.343 0.02 . 1 . . . . . . . . 6267 1 392 . 1 1 39 39 GLN HB2 H 1 2.177 0.02 . 2 . . . . . . . . 6267 1 393 . 1 1 39 39 GLN HB3 H 1 2.064 0.02 . 2 . . . . . . . . 6267 1 394 . 1 1 39 39 GLN HG2 H 1 2.530 0.02 . 2 . . . . . . . . 6267 1 395 . 1 1 39 39 GLN HG3 H 1 2.423 0.02 . 2 . . . . . . . . 6267 1 396 . 1 1 39 39 GLN HE21 H 1 7.601 0.02 . 2 . . . . . . . . 6267 1 397 . 1 1 39 39 GLN HE22 H 1 6.768 0.02 . 2 . . . . . . . . 6267 1 398 . 1 1 39 39 GLN C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 399 . 1 1 39 39 GLN CA C 13 56.23 0.2 . 1 . . . . . . . . 6267 1 400 . 1 1 39 39 GLN CB C 13 27.88 0.2 . 1 . . . . . . . . 6267 1 401 . 1 1 39 39 GLN CG C 13 33.64 0.2 . 1 . . . . . . . . 6267 1 402 . 1 1 39 39 GLN N N 15 119.40 0.2 . 1 . . . . . . . . 6267 1 403 . 1 1 39 39 GLN NE2 N 15 111.80 0.2 . 1 . . . . . . . . 6267 1 404 . 1 1 40 40 ILE H H 1 7.451 0.02 . 1 . . . . . . . . 6267 1 405 . 1 1 40 40 ILE HA H 1 4.539 0.02 . 1 . . . . . . . . 6267 1 406 . 1 1 40 40 ILE HB H 1 1.744 0.02 . 1 . . . . . . . . 6267 1 407 . 1 1 40 40 ILE HG12 H 1 1.549 0.02 . 2 . . . . . . . . 6267 1 408 . 1 1 40 40 ILE HG13 H 1 1.119 0.02 . 2 . . . . . . . . 6267 1 409 . 1 1 40 40 ILE HG21 H 1 0.612 0.02 . 1 . . . . . . . . 6267 1 410 . 1 1 40 40 ILE HG22 H 1 0.612 0.02 . 1 . . . . . . . . 6267 1 411 . 1 1 40 40 ILE HG23 H 1 0.612 0.02 . 1 . . . . . . . . 6267 1 412 . 1 1 40 40 ILE HD11 H 1 0.861 0.02 . 1 . . . . . . . . 6267 1 413 . 1 1 40 40 ILE HD12 H 1 0.861 0.02 . 1 . . . . . . . . 6267 1 414 . 1 1 40 40 ILE HD13 H 1 0.861 0.02 . 1 . . . . . . . . 6267 1 415 . 1 1 40 40 ILE C C 13 175.20 0.2 . 1 . . . . . . . . 6267 1 416 . 1 1 40 40 ILE CA C 13 60.87 0.2 . 1 . . . . . . . . 6267 1 417 . 1 1 40 40 ILE CB C 13 38.43 0.2 . 1 . . . . . . . . 6267 1 418 . 1 1 40 40 ILE CG1 C 13 27.91 0.2 . 1 . . . . . . . . 6267 1 419 . 1 1 40 40 ILE CG2 C 13 17.23 0.2 . 1 . . . . . . . . 6267 1 420 . 1 1 40 40 ILE CD1 C 13 15.03 0.2 . 1 . . . . . . . . 6267 1 421 . 1 1 40 40 ILE N N 15 120.30 0.2 . 1 . . . . . . . . 6267 1 422 . 1 1 41 41 SER H H 1 8.623 0.02 . 1 . . . . . . . . 6267 1 423 . 1 1 41 41 SER HA H 1 4.723 0.02 . 1 . . . . . . . . 6267 1 424 . 1 1 41 41 SER HB2 H 1 3.861 0.02 . 2 . . . . . . . . 6267 1 425 . 1 1 41 41 SER HB3 H 1 3.812 0.02 . 2 . . . . . . . . 6267 1 426 . 1 1 41 41 SER C C 13 173.40 0.2 . 1 . . . . . . . . 6267 1 427 . 1 1 41 41 SER CA C 13 56.58 0.2 . 1 . . . . . . . . 6267 1 428 . 1 1 41 41 SER CB C 13 64.77 0.2 . 1 . . . . . . . . 6267 1 429 . 1 1 41 41 SER N N 15 122.60 0.2 . 1 . . . . . . . . 6267 1 430 . 1 1 42 42 VAL H H 1 8.885 0.02 . 1 . . . . . . . . 6267 1 431 . 1 1 42 42 VAL HA H 1 5.121 0.02 . 1 . . . . . . . . 6267 1 432 . 1 1 42 42 VAL HB H 1 1.744 0.02 . 1 . . . . . . . . 6267 1 433 . 1 1 42 42 VAL HG11 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 434 . 1 1 42 42 VAL HG12 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 435 . 1 1 42 42 VAL HG13 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 436 . 1 1 42 42 VAL HG21 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 437 . 1 1 42 42 VAL HG22 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 438 . 1 1 42 42 VAL HG23 H 1 0.756 0.02 . 1 . . . . . . . . 6267 1 439 . 1 1 42 42 VAL C C 13 175.80 0.2 . 1 . . . . . . . . 6267 1 440 . 1 1 42 42 VAL CA C 13 60.86 0.2 . 1 . . . . . . . . 6267 1 441 . 1 1 42 42 VAL CB C 13 33.94 0.2 . 1 . . . . . . . . 6267 1 442 . 1 1 42 42 VAL CG1 C 13 21.77 0.2 . 1 . . . . . . . . 6267 1 443 . 1 1 42 42 VAL CG2 C 13 21.77 0.2 . 1 . . . . . . . . 6267 1 444 . 1 1 42 42 VAL N N 15 126.40 0.2 . 1 . . . . . . . . 6267 1 445 . 1 1 43 43 THR H H 1 8.281 0.02 . 1 . . . . . . . . 6267 1 446 . 1 1 43 43 THR HA H 1 4.695 0.02 . 1 . . . . . . . . 6267 1 447 . 1 1 43 43 THR HB H 1 4.370 0.02 . 1 . . . . . . . . 6267 1 448 . 1 1 43 43 THR HG21 H 1 1.139 0.02 . 1 . . . . . . . . 6267 1 449 . 1 1 43 43 THR HG22 H 1 1.139 0.02 . 1 . . . . . . . . 6267 1 450 . 1 1 43 43 THR HG23 H 1 1.139 0.02 . 1 . . . . . . . . 6267 1 451 . 1 1 43 43 THR C C 13 171.70 0.2 . 1 . . . . . . . . 6267 1 452 . 1 1 43 43 THR CA C 13 59.68 0.2 . 1 . . . . . . . . 6267 1 453 . 1 1 43 43 THR CB C 13 71.86 0.2 . 1 . . . . . . . . 6267 1 454 . 1 1 43 43 THR CG2 C 13 21.45 0.2 . 1 . . . . . . . . 6267 1 455 . 1 1 43 43 THR N N 15 118.60 0.2 . 1 . . . . . . . . 6267 1 456 . 1 1 44 44 ASN H H 1 8.198 0.02 . 1 . . . . . . . . 6267 1 457 . 1 1 44 44 ASN HA H 1 6.261 0.02 . 1 . . . . . . . . 6267 1 458 . 1 1 44 44 ASN HB2 H 1 2.547 0.02 . 2 . . . . . . . . 6267 1 459 . 1 1 44 44 ASN HB3 H 1 2.200 0.02 . 2 . . . . . . . . 6267 1 460 . 1 1 44 44 ASN HD21 H 1 7.145 0.02 . 2 . . . . . . . . 6267 1 461 . 1 1 44 44 ASN HD22 H 1 6.947 0.02 . 2 . . . . . . . . 6267 1 462 . 1 1 44 44 ASN C C 13 173.90 0.2 . 1 . . . . . . . . 6267 1 463 . 1 1 44 44 ASN CA C 13 51.31 0.2 . 1 . . . . . . . . 6267 1 464 . 1 1 44 44 ASN CB C 13 41.57 0.2 . 1 . . . . . . . . 6267 1 465 . 1 1 44 44 ASN N N 15 115.50 0.2 . 1 . . . . . . . . 6267 1 466 . 1 1 44 44 ASN ND2 N 15 117.20 0.2 . 1 . . . . . . . . 6267 1 467 . 1 1 45 45 SER H H 1 7.726 0.02 . 1 . . . . . . . . 6267 1 468 . 1 1 45 45 SER HA H 1 4.672 0.02 . 1 . . . . . . . . 6267 1 469 . 1 1 45 45 SER HB2 H 1 3.717 0.02 . 2 . . . . . . . . 6267 1 470 . 1 1 45 45 SER HB3 H 1 3.280 0.02 . 2 . . . . . . . . 6267 1 471 . 1 1 45 45 SER C C 13 173.00 0.2 . 1 . . . . . . . . 6267 1 472 . 1 1 45 45 SER CA C 13 57.54 0.2 . 1 . . . . . . . . 6267 1 473 . 1 1 45 45 SER CB C 13 67.07 0.2 . 1 . . . . . . . . 6267 1 474 . 1 1 45 45 SER N N 15 111.40 0.2 . 1 . . . . . . . . 6267 1 475 . 1 1 46 46 ALA H H 1 8.805 0.02 . 1 . . . . . . . . 6267 1 476 . 1 1 46 46 ALA HA H 1 4.710 0.02 . 1 . . . . . . . . 6267 1 477 . 1 1 46 46 ALA HB1 H 1 1.367 0.02 . 1 . . . . . . . . 6267 1 478 . 1 1 46 46 ALA HB2 H 1 1.367 0.02 . 1 . . . . . . . . 6267 1 479 . 1 1 46 46 ALA HB3 H 1 1.367 0.02 . 1 . . . . . . . . 6267 1 480 . 1 1 46 46 ALA C C 13 182.00 0.2 . 1 . . . . . . . . 6267 1 481 . 1 1 46 46 ALA CA C 13 51.77 0.2 . 1 . . . . . . . . 6267 1 482 . 1 1 46 46 ALA CB C 13 19.04 0.2 . 1 . . . . . . . . 6267 1 483 . 1 1 46 46 ALA N N 15 126.30 0.2 . 1 . . . . . . . . 6267 1 484 . 1 1 47 47 ILE H H 1 8.080 0.02 . 1 . . . . . . . . 6267 1 485 . 1 1 47 47 ILE HA H 1 3.445 0.02 . 1 . . . . . . . . 6267 1 486 . 1 1 47 47 ILE HB H 1 1.876 0.02 . 1 . . . . . . . . 6267 1 487 . 1 1 47 47 ILE HG12 H 1 1.558 0.02 . 2 . . . . . . . . 6267 1 488 . 1 1 47 47 ILE HG13 H 1 0.941 0.02 . 2 . . . . . . . . 6267 1 489 . 1 1 47 47 ILE HG21 H 1 0.785 0.02 . 1 . . . . . . . . 6267 1 490 . 1 1 47 47 ILE HG22 H 1 0.785 0.02 . 1 . . . . . . . . 6267 1 491 . 1 1 47 47 ILE HG23 H 1 0.785 0.02 . 1 . . . . . . . . 6267 1 492 . 1 1 47 47 ILE HD11 H 1 0.847 0.02 . 1 . . . . . . . . 6267 1 493 . 1 1 47 47 ILE HD12 H 1 0.847 0.02 . 1 . . . . . . . . 6267 1 494 . 1 1 47 47 ILE HD13 H 1 0.847 0.02 . 1 . . . . . . . . 6267 1 495 . 1 1 47 47 ILE C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 496 . 1 1 47 47 ILE CA C 13 64.27 0.2 . 1 . . . . . . . . 6267 1 497 . 1 1 47 47 ILE CB C 13 37.42 0.2 . 1 . . . . . . . . 6267 1 498 . 1 1 47 47 ILE CG1 C 13 30.03 0.2 . 1 . . . . . . . . 6267 1 499 . 1 1 47 47 ILE CG2 C 13 17.05 0.2 . 1 . . . . . . . . 6267 1 500 . 1 1 47 47 ILE CD1 C 13 13.65 0.2 . 1 . . . . . . . . 6267 1 501 . 1 1 47 47 ILE N N 15 125.80 0.2 . 1 . . . . . . . . 6267 1 502 . 1 1 48 48 ASN H H 1 8.760 0.02 . 1 . . . . . . . . 6267 1 503 . 1 1 48 48 ASN HA H 1 4.383 0.02 . 1 . . . . . . . . 6267 1 504 . 1 1 48 48 ASN HB2 H 1 2.777 0.02 . 2 . . . . . . . . 6267 1 505 . 1 1 48 48 ASN HB3 H 1 2.734 0.02 . 2 . . . . . . . . 6267 1 506 . 1 1 48 48 ASN HD21 H 1 7.522 0.02 . 2 . . . . . . . . 6267 1 507 . 1 1 48 48 ASN HD22 H 1 6.817 0.02 . 2 . . . . . . . . 6267 1 508 . 1 1 48 48 ASN C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 509 . 1 1 48 48 ASN CA C 13 54.44 0.2 . 1 . . . . . . . . 6267 1 510 . 1 1 48 48 ASN CB C 13 37.35 0.2 . 1 . . . . . . . . 6267 1 511 . 1 1 48 48 ASN N N 15 114.50 0.2 . 1 . . . . . . . . 6267 1 512 . 1 1 48 48 ASN ND2 N 15 110.90 0.2 . 1 . . . . . . . . 6267 1 513 . 1 1 49 49 ASN H H 1 7.230 0.02 . 1 . . . . . . . . 6267 1 514 . 1 1 49 49 ASN HA H 1 5.016 0.02 . 1 . . . . . . . . 6267 1 515 . 1 1 49 49 ASN HB2 H 1 3.063 0.02 . 2 . . . . . . . . 6267 1 516 . 1 1 49 49 ASN HB3 H 1 2.435 0.02 . 2 . . . . . . . . 6267 1 517 . 1 1 49 49 ASN HD21 H 1 7.751 0.02 . 2 . . . . . . . . 6267 1 518 . 1 1 49 49 ASN HD22 H 1 6.904 0.02 . 2 . . . . . . . . 6267 1 519 . 1 1 49 49 ASN C C 13 174.90 0.2 . 1 . . . . . . . . 6267 1 520 . 1 1 49 49 ASN CA C 13 51.60 0.2 . 1 . . . . . . . . 6267 1 521 . 1 1 49 49 ASN CB C 13 39.63 0.2 . 1 . . . . . . . . 6267 1 522 . 1 1 49 49 ASN N N 15 114.70 0.2 . 1 . . . . . . . . 6267 1 523 . 1 1 49 49 ASN ND2 N 15 112.10 0.2 . 1 . . . . . . . . 6267 1 524 . 1 1 50 50 LEU H H 1 7.373 0.02 . 1 . . . . . . . . 6267 1 525 . 1 1 50 50 LEU HA H 1 4.229 0.02 . 1 . . . . . . . . 6267 1 526 . 1 1 50 50 LEU HB2 H 1 1.768 0.02 . 2 . . . . . . . . 6267 1 527 . 1 1 50 50 LEU HB3 H 1 1.149 0.02 . 2 . . . . . . . . 6267 1 528 . 1 1 50 50 LEU HG H 1 2.162 0.02 . 1 . . . . . . . . 6267 1 529 . 1 1 50 50 LEU HD11 H 1 0.959 0.02 . 2 . . . . . . . . 6267 1 530 . 1 1 50 50 LEU HD12 H 1 0.959 0.02 . 2 . . . . . . . . 6267 1 531 . 1 1 50 50 LEU HD13 H 1 0.959 0.02 . 2 . . . . . . . . 6267 1 532 . 1 1 50 50 LEU HD21 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 533 . 1 1 50 50 LEU HD22 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 534 . 1 1 50 50 LEU HD23 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 535 . 1 1 50 50 LEU C C 13 174.10 0.2 . 1 . . . . . . . . 6267 1 536 . 1 1 50 50 LEU CA C 13 53.39 0.2 . 1 . . . . . . . . 6267 1 537 . 1 1 50 50 LEU CB C 13 41.76 0.2 . 1 . . . . . . . . 6267 1 538 . 1 1 50 50 LEU CG C 13 26.63 0.2 . 1 . . . . . . . . 6267 1 539 . 1 1 50 50 LEU CD1 C 13 26.86 0.2 . 2 . . . . . . . . 6267 1 540 . 1 1 50 50 LEU CD2 C 13 25.50 0.2 . 2 . . . . . . . . 6267 1 541 . 1 1 50 50 LEU N N 15 122.30 0.2 . 1 . . . . . . . . 6267 1 542 . 1 1 51 51 PRO HA H 1 4.057 0.02 . 1 . . . . . . . . 6267 1 543 . 1 1 51 51 PRO HB2 H 1 1.421 0.02 . 2 . . . . . . . . 6267 1 544 . 1 1 51 51 PRO HB3 H 1 1.655 0.02 . 2 . . . . . . . . 6267 1 545 . 1 1 51 51 PRO C C 13 175.80 0.2 . 1 . . . . . . . . 6267 1 546 . 1 1 51 51 PRO CA C 13 62.26 0.2 . 1 . . . . . . . . 6267 1 547 . 1 1 51 51 PRO CB C 13 29.36 0.2 . 1 . . . . . . . . 6267 1 548 . 1 1 52 52 PRO HA H 1 4.366 0.02 . 1 . . . . . . . . 6267 1 549 . 1 1 52 52 PRO HB2 H 1 2.302 0.02 . 2 . . . . . . . . 6267 1 550 . 1 1 52 52 PRO HB3 H 1 1.976 0.02 . 2 . . . . . . . . 6267 1 551 . 1 1 52 52 PRO HG2 H 1 2.049 0.02 . 2 . . . . . . . . 6267 1 552 . 1 1 52 52 PRO HG3 H 1 1.961 0.02 . 2 . . . . . . . . 6267 1 553 . 1 1 52 52 PRO HD2 H 1 3.718 0.02 . 2 . . . . . . . . 6267 1 554 . 1 1 52 52 PRO HD3 H 1 3.680 0.02 . 2 . . . . . . . . 6267 1 555 . 1 1 52 52 PRO C C 13 176.80 0.2 . 1 . . . . . . . . 6267 1 556 . 1 1 52 52 PRO CA C 13 63.82 0.2 . 1 . . . . . . . . 6267 1 557 . 1 1 52 52 PRO CB C 13 31.71 0.2 . 1 . . . . . . . . 6267 1 558 . 1 1 52 52 PRO CG C 13 27.28 0.2 . 1 . . . . . . . . 6267 1 559 . 1 1 52 52 PRO CD C 13 50.16 0.2 . 1 . . . . . . . . 6267 1 560 . 1 1 53 53 ASP H H 1 7.943 0.02 . 1 . . . . . . . . 6267 1 561 . 1 1 53 53 ASP HA H 1 4.590 0.02 . 1 . . . . . . . . 6267 1 562 . 1 1 53 53 ASP HB2 H 1 2.924 0.02 . 2 . . . . . . . . 6267 1 563 . 1 1 53 53 ASP HB3 H 1 2.443 0.02 . 2 . . . . . . . . 6267 1 564 . 1 1 53 53 ASP C C 13 175.40 0.2 . 1 . . . . . . . . 6267 1 565 . 1 1 53 53 ASP CA C 13 52.23 0.2 . 1 . . . . . . . . 6267 1 566 . 1 1 53 53 ASP CB C 13 39.67 0.2 . 1 . . . . . . . . 6267 1 567 . 1 1 53 53 ASP N N 15 114.80 0.2 . 1 . . . . . . . . 6267 1 568 . 1 1 54 54 VAL H H 1 7.021 0.02 . 1 . . . . . . . . 6267 1 569 . 1 1 54 54 VAL HA H 1 3.789 0.02 . 1 . . . . . . . . 6267 1 570 . 1 1 54 54 VAL HB H 1 1.833 0.02 . 1 . . . . . . . . 6267 1 571 . 1 1 54 54 VAL HG11 H 1 0.962 0.02 . 2 . . . . . . . . 6267 1 572 . 1 1 54 54 VAL HG12 H 1 0.962 0.02 . 2 . . . . . . . . 6267 1 573 . 1 1 54 54 VAL HG13 H 1 0.962 0.02 . 2 . . . . . . . . 6267 1 574 . 1 1 54 54 VAL HG21 H 1 0.874 0.02 . 2 . . . . . . . . 6267 1 575 . 1 1 54 54 VAL HG22 H 1 0.874 0.02 . 2 . . . . . . . . 6267 1 576 . 1 1 54 54 VAL HG23 H 1 0.874 0.02 . 2 . . . . . . . . 6267 1 577 . 1 1 54 54 VAL C C 13 172.90 0.2 . 1 . . . . . . . . 6267 1 578 . 1 1 54 54 VAL CA C 13 61.56 0.2 . 1 . . . . . . . . 6267 1 579 . 1 1 54 54 VAL CB C 13 32.47 0.2 . 1 . . . . . . . . 6267 1 580 . 1 1 54 54 VAL CG1 C 13 19.90 0.2 . 2 . . . . . . . . 6267 1 581 . 1 1 54 54 VAL CG2 C 13 25.07 0.2 . 2 . . . . . . . . 6267 1 582 . 1 1 54 54 VAL N N 15 117.40 0.2 . 1 . . . . . . . . 6267 1 583 . 1 1 55 55 ASP H H 1 8.069 0.02 . 1 . . . . . . . . 6267 1 584 . 1 1 55 55 ASP HA H 1 4.925 0.02 . 1 . . . . . . . . 6267 1 585 . 1 1 55 55 ASP HB2 H 1 2.735 0.02 . 1 . . . . . . . . 6267 1 586 . 1 1 55 55 ASP HB3 H 1 2.735 0.02 . 1 . . . . . . . . 6267 1 587 . 1 1 55 55 ASP C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 588 . 1 1 55 55 ASP CA C 13 56.78 0.2 . 1 . . . . . . . . 6267 1 589 . 1 1 55 55 ASP CB C 13 45.29 0.2 . 1 . . . . . . . . 6267 1 590 . 1 1 55 55 ASP N N 15 123.20 0.2 . 1 . . . . . . . . 6267 1 591 . 1 1 56 56 LEU H H 1 7.589 0.02 . 1 . . . . . . . . 6267 1 592 . 1 1 56 56 LEU HA H 1 5.210 0.02 . 1 . . . . . . . . 6267 1 593 . 1 1 56 56 LEU HB2 H 1 1.536 0.02 . 2 . . . . . . . . 6267 1 594 . 1 1 56 56 LEU HB3 H 1 1.269 0.02 . 2 . . . . . . . . 6267 1 595 . 1 1 56 56 LEU HG H 1 1.365 0.02 . 1 . . . . . . . . 6267 1 596 . 1 1 56 56 LEU HD11 H 1 0.739 0.02 . 2 . . . . . . . . 6267 1 597 . 1 1 56 56 LEU HD12 H 1 0.739 0.02 . 2 . . . . . . . . 6267 1 598 . 1 1 56 56 LEU HD13 H 1 0.739 0.02 . 2 . . . . . . . . 6267 1 599 . 1 1 56 56 LEU HD21 H 1 0.760 0.02 . 2 . . . . . . . . 6267 1 600 . 1 1 56 56 LEU HD22 H 1 0.760 0.02 . 2 . . . . . . . . 6267 1 601 . 1 1 56 56 LEU HD23 H 1 0.760 0.02 . 2 . . . . . . . . 6267 1 602 . 1 1 56 56 LEU C C 13 173.00 0.2 . 1 . . . . . . . . 6267 1 603 . 1 1 56 56 LEU CA C 13 54.04 0.2 . 1 . . . . . . . . 6267 1 604 . 1 1 56 56 LEU CB C 13 45.63 0.2 . 1 . . . . . . . . 6267 1 605 . 1 1 56 56 LEU CG C 13 27.71 0.2 . 1 . . . . . . . . 6267 1 606 . 1 1 56 56 LEU CD1 C 13 25.01 0.2 . 2 . . . . . . . . 6267 1 607 . 1 1 56 56 LEU CD2 C 13 25.77 0.2 . 2 . . . . . . . . 6267 1 608 . 1 1 56 56 LEU N N 15 123.20 0.2 . 1 . . . . . . . . 6267 1 609 . 1 1 57 57 VAL H H 1 8.797 0.02 . 1 . . . . . . . . 6267 1 610 . 1 1 57 57 VAL HA H 1 5.030 0.02 . 1 . . . . . . . . 6267 1 611 . 1 1 57 57 VAL HB H 1 1.825 0.02 . 1 . . . . . . . . 6267 1 612 . 1 1 57 57 VAL HG11 H 1 0.893 0.02 . 2 . . . . . . . . 6267 1 613 . 1 1 57 57 VAL HG12 H 1 0.893 0.02 . 2 . . . . . . . . 6267 1 614 . 1 1 57 57 VAL HG13 H 1 0.893 0.02 . 2 . . . . . . . . 6267 1 615 . 1 1 57 57 VAL HG21 H 1 0.642 0.02 . 2 . . . . . . . . 6267 1 616 . 1 1 57 57 VAL HG22 H 1 0.642 0.02 . 2 . . . . . . . . 6267 1 617 . 1 1 57 57 VAL HG23 H 1 0.642 0.02 . 2 . . . . . . . . 6267 1 618 . 1 1 57 57 VAL C C 13 175.10 0.2 . 1 . . . . . . . . 6267 1 619 . 1 1 57 57 VAL CA C 13 59.97 0.2 . 1 . . . . . . . . 6267 1 620 . 1 1 57 57 VAL CB C 13 32.93 0.2 . 1 . . . . . . . . 6267 1 621 . 1 1 57 57 VAL CG1 C 13 22.46 0.2 . 2 . . . . . . . . 6267 1 622 . 1 1 57 57 VAL CG2 C 13 23.82 0.2 . 2 . . . . . . . . 6267 1 623 . 1 1 57 57 VAL N N 15 126.30 0.2 . 1 . . . . . . . . 6267 1 624 . 1 1 58 58 ILE H H 1 9.283 0.02 . 1 . . . . . . . . 6267 1 625 . 1 1 58 58 ILE HA H 1 5.258 0.02 . 1 . . . . . . . . 6267 1 626 . 1 1 58 58 ILE HB H 1 1.777 0.02 . 1 . . . . . . . . 6267 1 627 . 1 1 58 58 ILE HG21 H 1 0.879 0.02 . 1 . . . . . . . . 6267 1 628 . 1 1 58 58 ILE HG22 H 1 0.879 0.02 . 1 . . . . . . . . 6267 1 629 . 1 1 58 58 ILE HG23 H 1 0.879 0.02 . 1 . . . . . . . . 6267 1 630 . 1 1 58 58 ILE HD11 H 1 0.711 0.02 . 1 . . . . . . . . 6267 1 631 . 1 1 58 58 ILE HD12 H 1 0.711 0.02 . 1 . . . . . . . . 6267 1 632 . 1 1 58 58 ILE HD13 H 1 0.711 0.02 . 1 . . . . . . . . 6267 1 633 . 1 1 58 58 ILE C C 13 174.90 0.2 . 1 . . . . . . . . 6267 1 634 . 1 1 58 58 ILE CA C 13 59.85 0.2 . 1 . . . . . . . . 6267 1 635 . 1 1 58 58 ILE CB C 13 39.92 0.2 . 1 . . . . . . . . 6267 1 636 . 1 1 58 58 ILE CG2 C 13 17.94 0.2 . 1 . . . . . . . . 6267 1 637 . 1 1 58 58 ILE CD1 C 13 14.62 0.2 . 1 . . . . . . . . 6267 1 638 . 1 1 58 58 ILE N N 15 131.70 0.2 . 1 . . . . . . . . 6267 1 639 . 1 1 59 59 THR H H 1 8.524 0.02 . 1 . . . . . . . . 6267 1 640 . 1 1 59 59 THR HA H 1 5.035 0.02 . 1 . . . . . . . . 6267 1 641 . 1 1 59 59 THR HB H 1 4.370 0.02 . 1 . . . . . . . . 6267 1 642 . 1 1 59 59 THR HG21 H 1 1.236 0.02 . 1 . . . . . . . . 6267 1 643 . 1 1 59 59 THR HG22 H 1 1.236 0.02 . 1 . . . . . . . . 6267 1 644 . 1 1 59 59 THR HG23 H 1 1.236 0.02 . 1 . . . . . . . . 6267 1 645 . 1 1 59 59 THR C C 13 173.90 0.2 . 1 . . . . . . . . 6267 1 646 . 1 1 59 59 THR CA C 13 58.69 0.2 . 1 . . . . . . . . 6267 1 647 . 1 1 59 59 THR CB C 13 73.25 0.2 . 1 . . . . . . . . 6267 1 648 . 1 1 59 59 THR CG2 C 13 22.78 0.2 . 1 . . . . . . . . 6267 1 649 . 1 1 59 59 THR N N 15 115.60 0.2 . 1 . . . . . . . . 6267 1 650 . 1 1 60 60 HIS H H 1 9.490 0.02 . 1 . . . . . . . . 6267 1 651 . 1 1 60 60 HIS HA H 1 4.399 0.02 . 1 . . . . . . . . 6267 1 652 . 1 1 60 60 HIS HB2 H 1 3.066 0.02 . 2 . . . . . . . . 6267 1 653 . 1 1 60 60 HIS HB3 H 1 2.927 0.02 . 2 . . . . . . . . 6267 1 654 . 1 1 60 60 HIS HD2 H 1 6.723 0.02 . 1 . . . . . . . . 6267 1 655 . 1 1 60 60 HIS C C 13 177.50 0.2 . 1 . . . . . . . . 6267 1 656 . 1 1 60 60 HIS CA C 13 57.57 0.2 . 1 . . . . . . . . 6267 1 657 . 1 1 60 60 HIS CB C 13 31.82 0.2 . 1 . . . . . . . . 6267 1 658 . 1 1 60 60 HIS N N 15 120.90 0.2 . 1 . . . . . . . . 6267 1 659 . 1 1 61 61 ARG H H 1 8.062 0.02 . 1 . . . . . . . . 6267 1 660 . 1 1 61 61 ARG HA H 1 4.231 0.02 . 1 . . . . . . . . 6267 1 661 . 1 1 61 61 ARG HB2 H 1 1.676 0.02 . 2 . . . . . . . . 6267 1 662 . 1 1 61 61 ARG HB3 H 1 1.558 0.02 . 2 . . . . . . . . 6267 1 663 . 1 1 61 61 ARG HG2 H 1 1.562 0.02 . 2 . . . . . . . . 6267 1 664 . 1 1 61 61 ARG HG3 H 1 1.419 0.02 . 2 . . . . . . . . 6267 1 665 . 1 1 61 61 ARG HD2 H 1 3.042 0.02 . 1 . . . . . . . . 6267 1 666 . 1 1 61 61 ARG HD3 H 1 3.042 0.02 . 1 . . . . . . . . 6267 1 667 . 1 1 61 61 ARG C C 13 177.40 0.2 . 1 . . . . . . . . 6267 1 668 . 1 1 61 61 ARG CA C 13 58.80 0.2 . 1 . . . . . . . . 6267 1 669 . 1 1 61 61 ARG CB C 13 30.38 0.2 . 1 . . . . . . . . 6267 1 670 . 1 1 61 61 ARG CG C 13 25.92 0.2 . 1 . . . . . . . . 6267 1 671 . 1 1 61 61 ARG CD C 13 42.27 0.2 . 1 . . . . . . . . 6267 1 672 . 1 1 61 61 ARG N N 15 126.80 0.2 . 1 . . . . . . . . 6267 1 673 . 1 1 62 62 ASP H H 1 11.360 0.02 . 1 . . . . . . . . 6267 1 674 . 1 1 62 62 ASP HA H 1 4.611 0.02 . 1 . . . . . . . . 6267 1 675 . 1 1 62 62 ASP HB2 H 1 2.825 0.02 . 1 . . . . . . . . 6267 1 676 . 1 1 62 62 ASP HB3 H 1 2.825 0.02 . 1 . . . . . . . . 6267 1 677 . 1 1 62 62 ASP C C 13 177.10 0.2 . 1 . . . . . . . . 6267 1 678 . 1 1 62 62 ASP CA C 13 57.14 0.2 . 1 . . . . . . . . 6267 1 679 . 1 1 62 62 ASP CB C 13 39.76 0.2 . 1 . . . . . . . . 6267 1 680 . 1 1 62 62 ASP N N 15 123.60 0.2 . 1 . . . . . . . . 6267 1 681 . 1 1 63 63 LEU H H 1 8.866 0.02 . 1 . . . . . . . . 6267 1 682 . 1 1 63 63 LEU HA H 1 4.780 0.02 . 1 . . . . . . . . 6267 1 683 . 1 1 63 63 LEU HB2 H 1 2.043 0.02 . 2 . . . . . . . . 6267 1 684 . 1 1 63 63 LEU HB3 H 1 1.869 0.02 . 2 . . . . . . . . 6267 1 685 . 1 1 63 63 LEU HG H 1 1.813 0.02 . 1 . . . . . . . . 6267 1 686 . 1 1 63 63 LEU HD11 H 1 1.084 0.02 . 2 . . . . . . . . 6267 1 687 . 1 1 63 63 LEU HD12 H 1 1.084 0.02 . 2 . . . . . . . . 6267 1 688 . 1 1 63 63 LEU HD13 H 1 1.084 0.02 . 2 . . . . . . . . 6267 1 689 . 1 1 63 63 LEU HD21 H 1 0.978 0.02 . 2 . . . . . . . . 6267 1 690 . 1 1 63 63 LEU HD22 H 1 0.978 0.02 . 2 . . . . . . . . 6267 1 691 . 1 1 63 63 LEU HD23 H 1 0.978 0.02 . 2 . . . . . . . . 6267 1 692 . 1 1 63 63 LEU C C 13 177.80 0.2 . 1 . . . . . . . . 6267 1 693 . 1 1 63 63 LEU CA C 13 54.64 0.2 . 1 . . . . . . . . 6267 1 694 . 1 1 63 63 LEU CB C 13 43.54 0.2 . 1 . . . . . . . . 6267 1 695 . 1 1 63 63 LEU CG C 13 28.58 0.2 . 1 . . . . . . . . 6267 1 696 . 1 1 63 63 LEU CD1 C 13 25.34 0.2 . 2 . . . . . . . . 6267 1 697 . 1 1 63 63 LEU CD2 C 13 24.33 0.2 . 2 . . . . . . . . 6267 1 698 . 1 1 63 63 LEU N N 15 120.50 0.2 . 1 . . . . . . . . 6267 1 699 . 1 1 64 64 THR H H 1 7.752 0.02 . 1 . . . . . . . . 6267 1 700 . 1 1 64 64 THR HA H 1 3.959 0.02 . 1 . . . . . . . . 6267 1 701 . 1 1 64 64 THR HB H 1 3.838 0.02 . 1 . . . . . . . . 6267 1 702 . 1 1 64 64 THR HG21 H 1 1.112 0.02 . 1 . . . . . . . . 6267 1 703 . 1 1 64 64 THR HG22 H 1 1.112 0.02 . 1 . . . . . . . . 6267 1 704 . 1 1 64 64 THR HG23 H 1 1.112 0.02 . 1 . . . . . . . . 6267 1 705 . 1 1 64 64 THR C C 13 175.30 0.2 . 1 . . . . . . . . 6267 1 706 . 1 1 64 64 THR CA C 13 66.70 0.2 . 1 . . . . . . . . 6267 1 707 . 1 1 64 64 THR CB C 13 69.09 0.2 . 1 . . . . . . . . 6267 1 708 . 1 1 64 64 THR CG2 C 13 22.11 0.2 . 1 . . . . . . . . 6267 1 709 . 1 1 64 64 THR N N 15 119.00 0.2 . 1 . . . . . . . . 6267 1 710 . 1 1 65 65 GLU H H 1 9.035 0.02 . 1 . . . . . . . . 6267 1 711 . 1 1 65 65 GLU HA H 1 3.871 0.02 . 1 . . . . . . . . 6267 1 712 . 1 1 65 65 GLU HB2 H 1 1.975 0.02 . 1 . . . . . . . . 6267 1 713 . 1 1 65 65 GLU HB3 H 1 1.975 0.02 . 1 . . . . . . . . 6267 1 714 . 1 1 65 65 GLU HG2 H 1 2.265 0.02 . 2 . . . . . . . . 6267 1 715 . 1 1 65 65 GLU HG3 H 1 2.158 0.02 . 2 . . . . . . . . 6267 1 716 . 1 1 65 65 GLU C C 13 179.00 0.2 . 1 . . . . . . . . 6267 1 717 . 1 1 65 65 GLU CA C 13 60.33 0.2 . 1 . . . . . . . . 6267 1 718 . 1 1 65 65 GLU CB C 13 28.46 0.2 . 1 . . . . . . . . 6267 1 719 . 1 1 65 65 GLU CG C 13 36.32 0.2 . 1 . . . . . . . . 6267 1 720 . 1 1 65 65 GLU N N 15 120.60 0.2 . 1 . . . . . . . . 6267 1 721 . 1 1 66 66 ARG H H 1 7.766 0.02 . 1 . . . . . . . . 6267 1 722 . 1 1 66 66 ARG HA H 1 3.923 0.02 . 1 . . . . . . . . 6267 1 723 . 1 1 66 66 ARG HB2 H 1 1.930 0.02 . 1 . . . . . . . . 6267 1 724 . 1 1 66 66 ARG HB3 H 1 1.930 0.02 . 1 . . . . . . . . 6267 1 725 . 1 1 66 66 ARG HG2 H 1 1.867 0.02 . 2 . . . . . . . . 6267 1 726 . 1 1 66 66 ARG HG3 H 1 1.619 0.02 . 2 . . . . . . . . 6267 1 727 . 1 1 66 66 ARG HD2 H 1 3.304 0.02 . 2 . . . . . . . . 6267 1 728 . 1 1 66 66 ARG HD3 H 1 3.132 0.02 . 2 . . . . . . . . 6267 1 729 . 1 1 66 66 ARG C C 13 179.60 0.2 . 1 . . . . . . . . 6267 1 730 . 1 1 66 66 ARG CA C 13 59.27 0.2 . 1 . . . . . . . . 6267 1 731 . 1 1 66 66 ARG CB C 13 30.40 0.2 . 1 . . . . . . . . 6267 1 732 . 1 1 66 66 ARG CG C 13 27.51 0.2 . 1 . . . . . . . . 6267 1 733 . 1 1 66 66 ARG CD C 13 44.18 0.2 . 1 . . . . . . . . 6267 1 734 . 1 1 66 66 ARG N N 15 118.90 0.2 . 1 . . . . . . . . 6267 1 735 . 1 1 67 67 ALA H H 1 8.039 0.02 . 1 . . . . . . . . 6267 1 736 . 1 1 67 67 ALA HA H 1 3.869 0.02 . 1 . . . . . . . . 6267 1 737 . 1 1 67 67 ALA HB1 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 738 . 1 1 67 67 ALA HB2 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 739 . 1 1 67 67 ALA HB3 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 740 . 1 1 67 67 ALA C C 13 178.60 0.2 . 1 . . . . . . . . 6267 1 741 . 1 1 67 67 ALA CA C 13 55.57 0.2 . 1 . . . . . . . . 6267 1 742 . 1 1 67 67 ALA CB C 13 18.45 0.2 . 1 . . . . . . . . 6267 1 743 . 1 1 67 67 ALA N N 15 123.20 0.2 . 1 . . . . . . . . 6267 1 744 . 1 1 68 68 MET H H 1 8.550 0.02 . 1 . . . . . . . . 6267 1 745 . 1 1 68 68 MET HA H 1 3.088 0.02 . 1 . . . . . . . . 6267 1 746 . 1 1 68 68 MET HB2 H 1 1.775 0.02 . 2 . . . . . . . . 6267 1 747 . 1 1 68 68 MET HB3 H 1 1.662 0.02 . 2 . . . . . . . . 6267 1 748 . 1 1 68 68 MET HG2 H 1 1.958 0.02 . 2 . . . . . . . . 6267 1 749 . 1 1 68 68 MET HG3 H 1 1.569 0.02 . 2 . . . . . . . . 6267 1 750 . 1 1 68 68 MET C C 13 177.20 0.2 . 1 . . . . . . . . 6267 1 751 . 1 1 68 68 MET CA C 13 58.81 0.2 . 1 . . . . . . . . 6267 1 752 . 1 1 68 68 MET CB C 13 32.37 0.2 . 1 . . . . . . . . 6267 1 753 . 1 1 68 68 MET CG C 13 31.58 0.2 . 1 . . . . . . . . 6267 1 754 . 1 1 68 68 MET N N 15 118.80 0.2 . 1 . . . . . . . . 6267 1 755 . 1 1 69 69 ARG H H 1 7.270 0.02 . 1 . . . . . . . . 6267 1 756 . 1 1 69 69 ARG HA H 1 3.982 0.02 . 1 . . . . . . . . 6267 1 757 . 1 1 69 69 ARG HB2 H 1 1.838 0.02 . 1 . . . . . . . . 6267 1 758 . 1 1 69 69 ARG HB3 H 1 1.838 0.02 . 1 . . . . . . . . 6267 1 759 . 1 1 69 69 ARG HG2 H 1 1.777 0.02 . 2 . . . . . . . . 6267 1 760 . 1 1 69 69 ARG HG3 H 1 1.604 0.02 . 2 . . . . . . . . 6267 1 761 . 1 1 69 69 ARG HD2 H 1 3.204 0.02 . 2 . . . . . . . . 6267 1 762 . 1 1 69 69 ARG HD3 H 1 3.156 0.02 . 2 . . . . . . . . 6267 1 763 . 1 1 69 69 ARG C C 13 178.00 0.2 . 1 . . . . . . . . 6267 1 764 . 1 1 69 69 ARG CA C 13 58.12 0.2 . 1 . . . . . . . . 6267 1 765 . 1 1 69 69 ARG CB C 13 30.20 0.2 . 1 . . . . . . . . 6267 1 766 . 1 1 69 69 ARG CG C 13 27.78 0.2 . 1 . . . . . . . . 6267 1 767 . 1 1 69 69 ARG CD C 13 43.37 0.2 . 1 . . . . . . . . 6267 1 768 . 1 1 69 69 ARG N N 15 115.40 0.2 . 1 . . . . . . . . 6267 1 769 . 1 1 70 70 GLN H H 1 7.377 0.02 . 1 . . . . . . . . 6267 1 770 . 1 1 70 70 GLN HA H 1 4.062 0.02 . 1 . . . . . . . . 6267 1 771 . 1 1 70 70 GLN HB2 H 1 2.146 0.02 . 1 . . . . . . . . 6267 1 772 . 1 1 70 70 GLN HB3 H 1 2.146 0.02 . 1 . . . . . . . . 6267 1 773 . 1 1 70 70 GLN HG2 H 1 2.875 0.02 . 2 . . . . . . . . 6267 1 774 . 1 1 70 70 GLN HG3 H 1 2.398 0.02 . 2 . . . . . . . . 6267 1 775 . 1 1 70 70 GLN HE21 H 1 7.548 0.02 . 2 . . . . . . . . 6267 1 776 . 1 1 70 70 GLN HE22 H 1 6.905 0.02 . 2 . . . . . . . . 6267 1 777 . 1 1 70 70 GLN C C 13 176.80 0.2 . 1 . . . . . . . . 6267 1 778 . 1 1 70 70 GLN CA C 13 57.87 0.2 . 1 . . . . . . . . 6267 1 779 . 1 1 70 70 GLN CB C 13 28.81 0.2 . 1 . . . . . . . . 6267 1 780 . 1 1 70 70 GLN CG C 13 32.81 0.2 . 1 . . . . . . . . 6267 1 781 . 1 1 70 70 GLN N N 15 118.30 0.2 . 1 . . . . . . . . 6267 1 782 . 1 1 70 70 GLN NE2 N 15 111.80 0.2 . 1 . . . . . . . . 6267 1 783 . 1 1 71 71 VAL H H 1 7.870 0.02 . 1 . . . . . . . . 6267 1 784 . 1 1 71 71 VAL HA H 1 4.682 0.02 . 1 . . . . . . . . 6267 1 785 . 1 1 71 71 VAL HB H 1 2.140 0.02 . 1 . . . . . . . . 6267 1 786 . 1 1 71 71 VAL HG11 H 1 0.955 0.02 . 2 . . . . . . . . 6267 1 787 . 1 1 71 71 VAL HG12 H 1 0.955 0.02 . 2 . . . . . . . . 6267 1 788 . 1 1 71 71 VAL HG13 H 1 0.955 0.02 . 2 . . . . . . . . 6267 1 789 . 1 1 71 71 VAL HG21 H 1 0.907 0.02 . 2 . . . . . . . . 6267 1 790 . 1 1 71 71 VAL HG22 H 1 0.907 0.02 . 2 . . . . . . . . 6267 1 791 . 1 1 71 71 VAL HG23 H 1 0.907 0.02 . 2 . . . . . . . . 6267 1 792 . 1 1 71 71 VAL C C 13 173.80 0.2 . 1 . . . . . . . . 6267 1 793 . 1 1 71 71 VAL CA C 13 58.18 0.2 . 1 . . . . . . . . 6267 1 794 . 1 1 71 71 VAL CB C 13 32.46 0.2 . 1 . . . . . . . . 6267 1 795 . 1 1 71 71 VAL CG1 C 13 21.38 0.2 . 2 . . . . . . . . 6267 1 796 . 1 1 71 71 VAL CG2 C 13 24.10 0.2 . 2 . . . . . . . . 6267 1 797 . 1 1 71 71 VAL N N 15 111.90 0.2 . 1 . . . . . . . . 6267 1 798 . 1 1 72 72 PRO HA H 1 4.686 0.02 . 1 . . . . . . . . 6267 1 799 . 1 1 72 72 PRO HB2 H 1 2.442 0.02 . 2 . . . . . . . . 6267 1 800 . 1 1 72 72 PRO HB3 H 1 1.957 0.02 . 2 . . . . . . . . 6267 1 801 . 1 1 72 72 PRO HG2 H 1 2.080 0.02 . 2 . . . . . . . . 6267 1 802 . 1 1 72 72 PRO HG3 H 1 1.995 0.02 . 2 . . . . . . . . 6267 1 803 . 1 1 72 72 PRO HD2 H 1 3.735 0.02 . 2 . . . . . . . . 6267 1 804 . 1 1 72 72 PRO HD3 H 1 3.368 0.02 . 2 . . . . . . . . 6267 1 805 . 1 1 72 72 PRO C C 13 178.30 0.2 . 1 . . . . . . . . 6267 1 806 . 1 1 72 72 PRO CA C 13 65.00 0.2 . 1 . . . . . . . . 6267 1 807 . 1 1 72 72 PRO CB C 13 32.16 0.2 . 1 . . . . . . . . 6267 1 808 . 1 1 72 72 PRO CG C 13 27.05 0.2 . 1 . . . . . . . . 6267 1 809 . 1 1 72 72 PRO CD C 13 50.33 0.2 . 1 . . . . . . . . 6267 1 810 . 1 1 73 73 GLN H H 1 9.112 0.02 . 1 . . . . . . . . 6267 1 811 . 1 1 73 73 GLN HA H 1 4.374 0.02 . 1 . . . . . . . . 6267 1 812 . 1 1 73 73 GLN HB2 H 1 2.178 0.02 . 2 . . . . . . . . 6267 1 813 . 1 1 73 73 GLN HE21 H 1 7.702 0.02 . 2 . . . . . . . . 6267 1 814 . 1 1 73 73 GLN HE22 H 1 7.063 0.02 . 2 . . . . . . . . 6267 1 815 . 1 1 73 73 GLN C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 816 . 1 1 73 73 GLN CA C 13 56.29 0.2 . 1 . . . . . . . . 6267 1 817 . 1 1 73 73 GLN CB C 13 27.78 0.2 . 1 . . . . . . . . 6267 1 818 . 1 1 73 73 GLN N N 15 115.30 0.2 . 1 . . . . . . . . 6267 1 819 . 1 1 73 73 GLN NE2 N 15 112.30 0.2 . 1 . . . . . . . . 6267 1 820 . 1 1 74 74 ALA H H 1 7.134 0.02 . 1 . . . . . . . . 6267 1 821 . 1 1 74 74 ALA HA H 1 4.366 0.02 . 1 . . . . . . . . 6267 1 822 . 1 1 74 74 ALA HB1 H 1 1.013 0.02 . 1 . . . . . . . . 6267 1 823 . 1 1 74 74 ALA HB2 H 1 1.013 0.02 . 1 . . . . . . . . 6267 1 824 . 1 1 74 74 ALA HB3 H 1 1.013 0.02 . 1 . . . . . . . . 6267 1 825 . 1 1 74 74 ALA C C 13 176.20 0.2 . 1 . . . . . . . . 6267 1 826 . 1 1 74 74 ALA CA C 13 51.38 0.2 . 1 . . . . . . . . 6267 1 827 . 1 1 74 74 ALA CB C 13 19.99 0.2 . 1 . . . . . . . . 6267 1 828 . 1 1 74 74 ALA N N 15 122.80 0.2 . 1 . . . . . . . . 6267 1 829 . 1 1 75 75 GLN H H 1 7.634 0.02 . 1 . . . . . . . . 6267 1 830 . 1 1 75 75 GLN HA H 1 4.474 0.02 . 1 . . . . . . . . 6267 1 831 . 1 1 75 75 GLN HB2 H 1 1.983 0.02 . 2 . . . . . . . . 6267 1 832 . 1 1 75 75 GLN HB3 H 1 1.897 0.02 . 2 . . . . . . . . 6267 1 833 . 1 1 75 75 GLN HG2 H 1 2.454 0.02 . 2 . . . . . . . . 6267 1 834 . 1 1 75 75 GLN HG3 H 1 2.238 0.02 . 2 . . . . . . . . 6267 1 835 . 1 1 75 75 GLN HE21 H 1 7.651 0.02 . 2 . . . . . . . . 6267 1 836 . 1 1 75 75 GLN HE22 H 1 6.504 0.02 . 2 . . . . . . . . 6267 1 837 . 1 1 75 75 GLN C C 13 174.90 0.2 . 1 . . . . . . . . 6267 1 838 . 1 1 75 75 GLN CA C 13 55.56 0.2 . 1 . . . . . . . . 6267 1 839 . 1 1 75 75 GLN CB C 13 30.20 0.2 . 1 . . . . . . . . 6267 1 840 . 1 1 75 75 GLN CG C 13 34.30 0.2 . 1 . . . . . . . . 6267 1 841 . 1 1 75 75 GLN N N 15 116.50 0.2 . 1 . . . . . . . . 6267 1 842 . 1 1 75 75 GLN NE2 N 15 110.60 0.2 . 1 . . . . . . . . 6267 1 843 . 1 1 76 76 HIS H H 1 8.720 0.02 . 1 . . . . . . . . 6267 1 844 . 1 1 76 76 HIS HA H 1 5.200 0.02 . 1 . . . . . . . . 6267 1 845 . 1 1 76 76 HIS HB2 H 1 2.852 0.02 . 2 . . . . . . . . 6267 1 846 . 1 1 76 76 HIS HB3 H 1 2.688 0.02 . 2 . . . . . . . . 6267 1 847 . 1 1 76 76 HIS HD2 H 1 6.976 0.02 . 1 . . . . . . . . 6267 1 848 . 1 1 76 76 HIS C C 13 175.50 0.2 . 1 . . . . . . . . 6267 1 849 . 1 1 76 76 HIS CA C 13 56.49 0.2 . 1 . . . . . . . . 6267 1 850 . 1 1 76 76 HIS CB C 13 33.91 0.2 . 1 . . . . . . . . 6267 1 851 . 1 1 76 76 HIS N N 15 123.00 0.2 . 1 . . . . . . . . 6267 1 852 . 1 1 77 77 ILE H H 1 8.755 0.02 . 1 . . . . . . . . 6267 1 853 . 1 1 77 77 ILE HA H 1 4.354 0.02 . 1 . . . . . . . . 6267 1 854 . 1 1 77 77 ILE HB H 1 1.571 0.02 . 1 . . . . . . . . 6267 1 855 . 1 1 77 77 ILE HG12 H 1 1.404 0.02 . 2 . . . . . . . . 6267 1 856 . 1 1 77 77 ILE HG13 H 1 1.137 0.02 . 2 . . . . . . . . 6267 1 857 . 1 1 77 77 ILE HG21 H 1 0.891 0.02 . 1 . . . . . . . . 6267 1 858 . 1 1 77 77 ILE HG22 H 1 0.891 0.02 . 1 . . . . . . . . 6267 1 859 . 1 1 77 77 ILE HG23 H 1 0.891 0.02 . 1 . . . . . . . . 6267 1 860 . 1 1 77 77 ILE HD11 H 1 0.815 0.02 . 1 . . . . . . . . 6267 1 861 . 1 1 77 77 ILE HD12 H 1 0.815 0.02 . 1 . . . . . . . . 6267 1 862 . 1 1 77 77 ILE HD13 H 1 0.815 0.02 . 1 . . . . . . . . 6267 1 863 . 1 1 77 77 ILE C C 13 173.70 0.2 . 1 . . . . . . . . 6267 1 864 . 1 1 77 77 ILE CA C 13 60.15 0.2 . 1 . . . . . . . . 6267 1 865 . 1 1 77 77 ILE CB C 13 41.55 0.2 . 1 . . . . . . . . 6267 1 866 . 1 1 77 77 ILE CG1 C 13 27.68 0.2 . 1 . . . . . . . . 6267 1 867 . 1 1 77 77 ILE CG2 C 13 17.39 0.2 . 1 . . . . . . . . 6267 1 868 . 1 1 77 77 ILE CD1 C 13 14.01 0.2 . 1 . . . . . . . . 6267 1 869 . 1 1 77 77 ILE N N 15 125.10 0.2 . 1 . . . . . . . . 6267 1 870 . 1 1 78 78 SER H H 1 8.354 0.02 . 1 . . . . . . . . 6267 1 871 . 1 1 78 78 SER HA H 1 5.634 0.02 . 1 . . . . . . . . 6267 1 872 . 1 1 78 78 SER HB2 H 1 3.629 0.02 . 2 . . . . . . . . 6267 1 873 . 1 1 78 78 SER HB3 H 1 3.507 0.02 . 2 . . . . . . . . 6267 1 874 . 1 1 78 78 SER C C 13 173.00 0.2 . 1 . . . . . . . . 6267 1 875 . 1 1 78 78 SER CA C 13 56.65 0.2 . 1 . . . . . . . . 6267 1 876 . 1 1 78 78 SER CB C 13 65.66 0.2 . 1 . . . . . . . . 6267 1 877 . 1 1 78 78 SER N N 15 120.70 0.2 . 1 . . . . . . . . 6267 1 878 . 1 1 79 79 LEU H H 1 8.516 0.02 . 1 . . . . . . . . 6267 1 879 . 1 1 79 79 LEU HA H 1 4.660 0.02 . 1 . . . . . . . . 6267 1 880 . 1 1 79 79 LEU HB2 H 1 1.592 0.02 . 2 . . . . . . . . 6267 1 881 . 1 1 79 79 LEU HB3 H 1 1.364 0.02 . 2 . . . . . . . . 6267 1 882 . 1 1 79 79 LEU HG H 1 1.156 0.02 . 1 . . . . . . . . 6267 1 883 . 1 1 79 79 LEU HD11 H 1 0.569 0.02 . 2 . . . . . . . . 6267 1 884 . 1 1 79 79 LEU HD12 H 1 0.569 0.02 . 2 . . . . . . . . 6267 1 885 . 1 1 79 79 LEU HD13 H 1 0.569 0.02 . 2 . . . . . . . . 6267 1 886 . 1 1 79 79 LEU HD21 H 1 -0.382 0.02 . 2 . . . . . . . . 6267 1 887 . 1 1 79 79 LEU HD22 H 1 -0.382 0.02 . 2 . . . . . . . . 6267 1 888 . 1 1 79 79 LEU HD23 H 1 -0.382 0.02 . 2 . . . . . . . . 6267 1 889 . 1 1 79 79 LEU C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 890 . 1 1 79 79 LEU CA C 13 53.01 0.2 . 1 . . . . . . . . 6267 1 891 . 1 1 79 79 LEU CB C 13 43.82 0.2 . 1 . . . . . . . . 6267 1 892 . 1 1 79 79 LEU CG C 13 25.65 0.2 . 1 . . . . . . . . 6267 1 893 . 1 1 79 79 LEU CD1 C 13 26.78 0.2 . 2 . . . . . . . . 6267 1 894 . 1 1 79 79 LEU CD2 C 13 20.28 0.2 . 2 . . . . . . . . 6267 1 895 . 1 1 79 79 LEU N N 15 119.40 0.2 . 1 . . . . . . . . 6267 1 896 . 1 1 80 80 THR H H 1 8.415 0.02 . 1 . . . . . . . . 6267 1 897 . 1 1 80 80 THR HA H 1 4.000 0.02 . 1 . . . . . . . . 6267 1 898 . 1 1 80 80 THR HB H 1 4.245 0.02 . 1 . . . . . . . . 6267 1 899 . 1 1 80 80 THR HG21 H 1 0.952 0.02 . 1 . . . . . . . . 6267 1 900 . 1 1 80 80 THR HG22 H 1 0.952 0.02 . 1 . . . . . . . . 6267 1 901 . 1 1 80 80 THR HG23 H 1 0.952 0.02 . 1 . . . . . . . . 6267 1 902 . 1 1 80 80 THR C C 13 173.60 0.2 . 1 . . . . . . . . 6267 1 903 . 1 1 80 80 THR CA C 13 61.96 0.2 . 1 . . . . . . . . 6267 1 904 . 1 1 80 80 THR CB C 13 69.62 0.2 . 1 . . . . . . . . 6267 1 905 . 1 1 80 80 THR CG2 C 13 21.74 0.2 . 1 . . . . . . . . 6267 1 906 . 1 1 80 80 THR N N 15 107.60 0.2 . 1 . . . . . . . . 6267 1 907 . 1 1 81 81 ASN H H 1 7.623 0.02 . 1 . . . . . . . . 6267 1 908 . 1 1 81 81 ASN HA H 1 4.930 0.02 . 1 . . . . . . . . 6267 1 909 . 1 1 81 81 ASN HB2 H 1 2.846 0.02 . 1 . . . . . . . . 6267 1 910 . 1 1 81 81 ASN HB3 H 1 2.846 0.02 . 1 . . . . . . . . 6267 1 911 . 1 1 81 81 ASN HD21 H 1 7.812 0.02 . 2 . . . . . . . . 6267 1 912 . 1 1 81 81 ASN HD22 H 1 7.026 0.02 . 2 . . . . . . . . 6267 1 913 . 1 1 81 81 ASN C C 13 175.40 0.2 . 1 . . . . . . . . 6267 1 914 . 1 1 81 81 ASN CA C 13 51.70 0.2 . 1 . . . . . . . . 6267 1 915 . 1 1 81 81 ASN CB C 13 40.19 0.2 . 1 . . . . . . . . 6267 1 916 . 1 1 81 81 ASN N N 15 121.50 0.2 . 1 . . . . . . . . 6267 1 917 . 1 1 81 81 ASN ND2 N 15 112.10 0.2 . 1 . . . . . . . . 6267 1 918 . 1 1 82 82 PHE H H 1 9.362 0.02 . 1 . . . . . . . . 6267 1 919 . 1 1 82 82 PHE HA H 1 4.220 0.02 . 1 . . . . . . . . 6267 1 920 . 1 1 82 82 PHE HB2 H 1 3.033 0.02 . 2 . . . . . . . . 6267 1 921 . 1 1 82 82 PHE HB3 H 1 2.869 0.02 . 2 . . . . . . . . 6267 1 922 . 1 1 82 82 PHE C C 13 176.50 0.2 . 1 . . . . . . . . 6267 1 923 . 1 1 82 82 PHE CA C 13 61.27 0.2 . 1 . . . . . . . . 6267 1 924 . 1 1 82 82 PHE CB C 13 39.74 0.2 . 1 . . . . . . . . 6267 1 925 . 1 1 82 82 PHE N N 15 123.00 0.2 . 1 . . . . . . . . 6267 1 926 . 1 1 83 83 LEU H H 1 8.435 0.02 . 1 . . . . . . . . 6267 1 927 . 1 1 83 83 LEU HA H 1 4.678 0.02 . 1 . . . . . . . . 6267 1 928 . 1 1 83 83 LEU HB2 H 1 1.873 0.02 . 2 . . . . . . . . 6267 1 929 . 1 1 83 83 LEU HB3 H 1 1.781 0.02 . 2 . . . . . . . . 6267 1 930 . 1 1 83 83 LEU HG H 1 1.676 0.02 . 1 . . . . . . . . 6267 1 931 . 1 1 83 83 LEU HD11 H 1 0.992 0.02 . 2 . . . . . . . . 6267 1 932 . 1 1 83 83 LEU HD12 H 1 0.992 0.02 . 2 . . . . . . . . 6267 1 933 . 1 1 83 83 LEU HD13 H 1 0.992 0.02 . 2 . . . . . . . . 6267 1 934 . 1 1 83 83 LEU HD21 H 1 0.872 0.02 . 2 . . . . . . . . 6267 1 935 . 1 1 83 83 LEU HD22 H 1 0.872 0.02 . 2 . . . . . . . . 6267 1 936 . 1 1 83 83 LEU HD23 H 1 0.872 0.02 . 2 . . . . . . . . 6267 1 937 . 1 1 83 83 LEU C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 938 . 1 1 83 83 LEU CA C 13 53.42 0.2 . 1 . . . . . . . . 6267 1 939 . 1 1 83 83 LEU CB C 13 39.95 0.2 . 1 . . . . . . . . 6267 1 940 . 1 1 83 83 LEU CG C 13 27.39 0.2 . 1 . . . . . . . . 6267 1 941 . 1 1 83 83 LEU CD1 C 13 25.04 0.2 . 2 . . . . . . . . 6267 1 942 . 1 1 83 83 LEU CD2 C 13 23.02 0.2 . 2 . . . . . . . . 6267 1 943 . 1 1 83 83 LEU N N 15 119.50 0.2 . 1 . . . . . . . . 6267 1 944 . 1 1 84 84 ASP H H 1 6.698 0.02 . 1 . . . . . . . . 6267 1 945 . 1 1 84 84 ASP HA H 1 4.432 0.02 . 1 . . . . . . . . 6267 1 946 . 1 1 84 84 ASP HB2 H 1 2.758 0.02 . 2 . . . . . . . . 6267 1 947 . 1 1 84 84 ASP HB3 H 1 2.686 0.02 . 2 . . . . . . . . 6267 1 948 . 1 1 84 84 ASP C C 13 174.30 0.2 . 1 . . . . . . . . 6267 1 949 . 1 1 84 84 ASP CA C 13 53.55 0.2 . 1 . . . . . . . . 6267 1 950 . 1 1 84 84 ASP CB C 13 40.04 0.2 . 1 . . . . . . . . 6267 1 951 . 1 1 84 84 ASP N N 15 118.80 0.2 . 1 . . . . . . . . 6267 1 952 . 1 1 85 85 SER H H 1 8.338 0.02 . 1 . . . . . . . . 6267 1 953 . 1 1 85 85 SER HA H 1 4.075 0.02 . 1 . . . . . . . . 6267 1 954 . 1 1 85 85 SER HB2 H 1 3.979 0.02 . 2 . . . . . . . . 6267 1 955 . 1 1 85 85 SER HB3 H 1 3.929 0.02 . 2 . . . . . . . . 6267 1 956 . 1 1 85 85 SER C C 13 177.10 0.2 . 1 . . . . . . . . 6267 1 957 . 1 1 85 85 SER CA C 13 61.78 0.2 . 1 . . . . . . . . 6267 1 958 . 1 1 85 85 SER CB C 13 63.18 0.2 . 1 . . . . . . . . 6267 1 959 . 1 1 85 85 SER N N 15 121.60 0.2 . 1 . . . . . . . . 6267 1 960 . 1 1 86 86 GLY H H 1 8.704 0.02 . 1 . . . . . . . . 6267 1 961 . 1 1 86 86 GLY HA2 H 1 3.934 0.02 . 2 . . . . . . . . 6267 1 962 . 1 1 86 86 GLY HA3 H 1 3.825 0.02 . 2 . . . . . . . . 6267 1 963 . 1 1 86 86 GLY C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 964 . 1 1 86 86 GLY CA C 13 47.24 0.2 . 1 . . . . . . . . 6267 1 965 . 1 1 86 86 GLY N N 15 112.20 0.2 . 1 . . . . . . . . 6267 1 966 . 1 1 87 87 LEU H H 1 7.668 0.02 . 1 . . . . . . . . 6267 1 967 . 1 1 87 87 LEU HA H 1 4.081 0.02 . 1 . . . . . . . . 6267 1 968 . 1 1 87 87 LEU HB2 H 1 1.504 0.02 . 2 . . . . . . . . 6267 1 969 . 1 1 87 87 LEU HB3 H 1 1.269 0.02 . 2 . . . . . . . . 6267 1 970 . 1 1 87 87 LEU HG H 1 1.398 0.02 . 1 . . . . . . . . 6267 1 971 . 1 1 87 87 LEU HD11 H 1 0.809 0.02 . 2 . . . . . . . . 6267 1 972 . 1 1 87 87 LEU HD12 H 1 0.809 0.02 . 2 . . . . . . . . 6267 1 973 . 1 1 87 87 LEU HD13 H 1 0.809 0.02 . 2 . . . . . . . . 6267 1 974 . 1 1 87 87 LEU HD21 H 1 0.671 0.02 . 2 . . . . . . . . 6267 1 975 . 1 1 87 87 LEU HD22 H 1 0.671 0.02 . 2 . . . . . . . . 6267 1 976 . 1 1 87 87 LEU HD23 H 1 0.671 0.02 . 2 . . . . . . . . 6267 1 977 . 1 1 87 87 LEU C C 13 179.60 0.2 . 1 . . . . . . . . 6267 1 978 . 1 1 87 87 LEU CA C 13 57.64 0.2 . 1 . . . . . . . . 6267 1 979 . 1 1 87 87 LEU CB C 13 40.82 0.2 . 1 . . . . . . . . 6267 1 980 . 1 1 87 87 LEU CG C 13 27.54 0.2 . 1 . . . . . . . . 6267 1 981 . 1 1 87 87 LEU CD1 C 13 24.49 0.2 . 2 . . . . . . . . 6267 1 982 . 1 1 87 87 LEU CD2 C 13 24.85 0.2 . 2 . . . . . . . . 6267 1 983 . 1 1 87 87 LEU N N 15 125.80 0.2 . 1 . . . . . . . . 6267 1 984 . 1 1 88 88 TYR H H 1 7.401 0.02 . 1 . . . . . . . . 6267 1 985 . 1 1 88 88 TYR HA H 1 4.374 0.02 . 1 . . . . . . . . 6267 1 986 . 1 1 88 88 TYR HB2 H 1 3.064 0.02 . 2 . . . . . . . . 6267 1 987 . 1 1 88 88 TYR HB3 H 1 2.742 0.02 . 2 . . . . . . . . 6267 1 988 . 1 1 88 88 TYR HD1 H 1 6.686 0.02 . 1 . . . . . . . . 6267 1 989 . 1 1 88 88 TYR HD2 H 1 6.686 0.02 . 1 . . . . . . . . 6267 1 990 . 1 1 88 88 TYR HE1 H 1 6.636 0.02 . 1 . . . . . . . . 6267 1 991 . 1 1 88 88 TYR HE2 H 1 6.636 0.02 . 1 . . . . . . . . 6267 1 992 . 1 1 88 88 TYR C C 13 179.10 0.2 . 1 . . . . . . . . 6267 1 993 . 1 1 88 88 TYR CA C 13 59.08 0.2 . 1 . . . . . . . . 6267 1 994 . 1 1 88 88 TYR CB C 13 37.09 0.2 . 1 . . . . . . . . 6267 1 995 . 1 1 88 88 TYR N N 15 116.60 0.2 . 1 . . . . . . . . 6267 1 996 . 1 1 89 89 THR H H 1 8.846 0.02 . 1 . . . . . . . . 6267 1 997 . 1 1 89 89 THR HA H 1 3.924 0.02 . 1 . . . . . . . . 6267 1 998 . 1 1 89 89 THR HB H 1 4.359 0.02 . 1 . . . . . . . . 6267 1 999 . 1 1 89 89 THR HG21 H 1 1.240 0.02 . 1 . . . . . . . . 6267 1 1000 . 1 1 89 89 THR HG22 H 1 1.240 0.02 . 1 . . . . . . . . 6267 1 1001 . 1 1 89 89 THR HG23 H 1 1.240 0.02 . 1 . . . . . . . . 6267 1 1002 . 1 1 89 89 THR C C 13 175.60 0.2 . 1 . . . . . . . . 6267 1 1003 . 1 1 89 89 THR CA C 13 67.52 0.2 . 1 . . . . . . . . 6267 1 1004 . 1 1 89 89 THR CB C 13 67.81 0.2 . 1 . . . . . . . . 6267 1 1005 . 1 1 89 89 THR CG2 C 13 21.52 0.2 . 1 . . . . . . . . 6267 1 1006 . 1 1 89 89 THR N N 15 120.90 0.2 . 1 . . . . . . . . 6267 1 1007 . 1 1 90 90 SER H H 1 8.147 0.02 . 1 . . . . . . . . 6267 1 1008 . 1 1 90 90 SER HA H 1 4.257 0.02 . 1 . . . . . . . . 6267 1 1009 . 1 1 90 90 SER HB2 H 1 3.995 0.02 . 1 . . . . . . . . 6267 1 1010 . 1 1 90 90 SER HB3 H 1 3.995 0.02 . 1 . . . . . . . . 6267 1 1011 . 1 1 90 90 SER C C 13 177.10 0.2 . 1 . . . . . . . . 6267 1 1012 . 1 1 90 90 SER CA C 13 61.71 0.2 . 1 . . . . . . . . 6267 1 1013 . 1 1 90 90 SER CB C 13 62.49 0.2 . 1 . . . . . . . . 6267 1 1014 . 1 1 90 90 SER N N 15 118.60 0.2 . 1 . . . . . . . . 6267 1 1015 . 1 1 91 91 LEU H H 1 8.651 0.02 . 1 . . . . . . . . 6267 1 1016 . 1 1 91 91 LEU HA H 1 4.036 0.02 . 1 . . . . . . . . 6267 1 1017 . 1 1 91 91 LEU HB2 H 1 1.774 0.02 . 2 . . . . . . . . 6267 1 1018 . 1 1 91 91 LEU HB3 H 1 1.607 0.02 . 2 . . . . . . . . 6267 1 1019 . 1 1 91 91 LEU HG H 1 1.571 0.02 . 1 . . . . . . . . 6267 1 1020 . 1 1 91 91 LEU HD11 H 1 0.855 0.02 . 2 . . . . . . . . 6267 1 1021 . 1 1 91 91 LEU HD12 H 1 0.855 0.02 . 2 . . . . . . . . 6267 1 1022 . 1 1 91 91 LEU HD13 H 1 0.855 0.02 . 2 . . . . . . . . 6267 1 1023 . 1 1 91 91 LEU HD21 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1024 . 1 1 91 91 LEU HD22 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1025 . 1 1 91 91 LEU HD23 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1026 . 1 1 91 91 LEU C C 13 177.90 0.2 . 1 . . . . . . . . 6267 1 1027 . 1 1 91 91 LEU CA C 13 58.04 0.2 . 1 . . . . . . . . 6267 1 1028 . 1 1 91 91 LEU CB C 13 42.05 0.2 . 1 . . . . . . . . 6267 1 1029 . 1 1 91 91 LEU CG C 13 27.06 0.2 . 1 . . . . . . . . 6267 1 1030 . 1 1 91 91 LEU CD1 C 13 26.17 0.2 . 2 . . . . . . . . 6267 1 1031 . 1 1 91 91 LEU CD2 C 13 23.46 0.2 . 2 . . . . . . . . 6267 1 1032 . 1 1 91 91 LEU N N 15 122.10 0.2 . 1 . . . . . . . . 6267 1 1033 . 1 1 92 92 THR H H 1 7.933 0.02 . 1 . . . . . . . . 6267 1 1034 . 1 1 92 92 THR HA H 1 3.540 0.02 . 1 . . . . . . . . 6267 1 1035 . 1 1 92 92 THR HB H 1 4.310 0.02 . 1 . . . . . . . . 6267 1 1036 . 1 1 92 92 THR HG21 H 1 1.006 0.02 . 1 . . . . . . . . 6267 1 1037 . 1 1 92 92 THR HG22 H 1 1.006 0.02 . 1 . . . . . . . . 6267 1 1038 . 1 1 92 92 THR HG23 H 1 1.006 0.02 . 1 . . . . . . . . 6267 1 1039 . 1 1 92 92 THR C C 13 175.80 0.2 . 1 . . . . . . . . 6267 1 1040 . 1 1 92 92 THR CA C 13 69.00 0.2 . 1 . . . . . . . . 6267 1 1041 . 1 1 92 92 THR CB C 13 67.84 0.2 . 1 . . . . . . . . 6267 1 1042 . 1 1 92 92 THR CG2 C 13 21.85 0.2 . 1 . . . . . . . . 6267 1 1043 . 1 1 92 92 THR N N 15 116.50 0.2 . 1 . . . . . . . . 6267 1 1044 . 1 1 93 93 GLU H H 1 8.210 0.02 . 1 . . . . . . . . 6267 1 1045 . 1 1 93 93 GLU HA H 1 3.912 0.02 . 1 . . . . . . . . 6267 1 1046 . 1 1 93 93 GLU HB2 H 1 2.222 0.02 . 2 . . . . . . . . 6267 1 1047 . 1 1 93 93 GLU HB3 H 1 2.050 0.02 . 2 . . . . . . . . 6267 1 1048 . 1 1 93 93 GLU HG2 H 1 2.486 0.02 . 2 . . . . . . . . 6267 1 1049 . 1 1 93 93 GLU HG3 H 1 2.247 0.02 . 2 . . . . . . . . 6267 1 1050 . 1 1 93 93 GLU C C 13 180.00 0.2 . 1 . . . . . . . . 6267 1 1051 . 1 1 93 93 GLU CA C 13 59.81 0.2 . 1 . . . . . . . . 6267 1 1052 . 1 1 93 93 GLU CB C 13 29.15 0.2 . 1 . . . . . . . . 6267 1 1053 . 1 1 93 93 GLU CG C 13 36.41 0.2 . 1 . . . . . . . . 6267 1 1054 . 1 1 93 93 GLU N N 15 119.90 0.2 . 1 . . . . . . . . 6267 1 1055 . 1 1 94 94 ARG H H 1 8.026 0.02 . 1 . . . . . . . . 6267 1 1056 . 1 1 94 94 ARG HA H 1 4.103 0.02 . 1 . . . . . . . . 6267 1 1057 . 1 1 94 94 ARG HB2 H 1 2.044 0.02 . 2 . . . . . . . . 6267 1 1058 . 1 1 94 94 ARG HB3 H 1 1.897 0.02 . 2 . . . . . . . . 6267 1 1059 . 1 1 94 94 ARG HG2 H 1 1.953 0.02 . 2 . . . . . . . . 6267 1 1060 . 1 1 94 94 ARG HG3 H 1 1.697 0.02 . 2 . . . . . . . . 6267 1 1061 . 1 1 94 94 ARG HD2 H 1 3.158 0.02 . 1 . . . . . . . . 6267 1 1062 . 1 1 94 94 ARG HD3 H 1 3.158 0.02 . 1 . . . . . . . . 6267 1 1063 . 1 1 94 94 ARG C C 13 179.80 0.2 . 1 . . . . . . . . 6267 1 1064 . 1 1 94 94 ARG CA C 13 59.28 0.2 . 1 . . . . . . . . 6267 1 1065 . 1 1 94 94 ARG CB C 13 30.58 0.2 . 1 . . . . . . . . 6267 1 1066 . 1 1 94 94 ARG CG C 13 27.41 0.2 . 1 . . . . . . . . 6267 1 1067 . 1 1 94 94 ARG CD C 13 43.95 0.2 . 1 . . . . . . . . 6267 1 1068 . 1 1 94 94 ARG N N 15 120.20 0.2 . 1 . . . . . . . . 6267 1 1069 . 1 1 95 95 LEU H H 1 8.379 0.02 . 1 . . . . . . . . 6267 1 1070 . 1 1 95 95 LEU HA H 1 3.921 0.02 . 1 . . . . . . . . 6267 1 1071 . 1 1 95 95 LEU HB2 H 1 2.028 0.02 . 2 . . . . . . . . 6267 1 1072 . 1 1 95 95 LEU HB3 H 1 1.163 0.02 . 2 . . . . . . . . 6267 1 1073 . 1 1 95 95 LEU HG H 1 1.761 0.02 . 1 . . . . . . . . 6267 1 1074 . 1 1 95 95 LEU HD11 H 1 0.819 0.02 . 2 . . . . . . . . 6267 1 1075 . 1 1 95 95 LEU HD12 H 1 0.819 0.02 . 2 . . . . . . . . 6267 1 1076 . 1 1 95 95 LEU HD13 H 1 0.819 0.02 . 2 . . . . . . . . 6267 1 1077 . 1 1 95 95 LEU HD21 H 1 0.687 0.02 . 2 . . . . . . . . 6267 1 1078 . 1 1 95 95 LEU HD22 H 1 0.687 0.02 . 2 . . . . . . . . 6267 1 1079 . 1 1 95 95 LEU HD23 H 1 0.687 0.02 . 2 . . . . . . . . 6267 1 1080 . 1 1 95 95 LEU C C 13 179.10 0.2 . 1 . . . . . . . . 6267 1 1081 . 1 1 95 95 LEU CA C 13 58.33 0.2 . 1 . . . . . . . . 6267 1 1082 . 1 1 95 95 LEU CB C 13 41.93 0.2 . 1 . . . . . . . . 6267 1 1083 . 1 1 95 95 LEU CG C 13 26.72 0.2 . 1 . . . . . . . . 6267 1 1084 . 1 1 95 95 LEU CD1 C 13 23.74 0.2 . 2 . . . . . . . . 6267 1 1085 . 1 1 95 95 LEU CD2 C 13 26.76 0.2 . 2 . . . . . . . . 6267 1 1086 . 1 1 95 95 LEU N N 15 122.60 0.2 . 1 . . . . . . . . 6267 1 1087 . 1 1 96 96 VAL H H 1 8.700 0.02 . 1 . . . . . . . . 6267 1 1088 . 1 1 96 96 VAL HA H 1 3.493 0.02 . 1 . . . . . . . . 6267 1 1089 . 1 1 96 96 VAL HB H 1 2.142 0.02 . 1 . . . . . . . . 6267 1 1090 . 1 1 96 96 VAL HG11 H 1 1.106 0.02 . 2 . . . . . . . . 6267 1 1091 . 1 1 96 96 VAL HG12 H 1 1.106 0.02 . 2 . . . . . . . . 6267 1 1092 . 1 1 96 96 VAL HG13 H 1 1.106 0.02 . 2 . . . . . . . . 6267 1 1093 . 1 1 96 96 VAL HG21 H 1 0.931 0.02 . 2 . . . . . . . . 6267 1 1094 . 1 1 96 96 VAL HG22 H 1 0.931 0.02 . 2 . . . . . . . . 6267 1 1095 . 1 1 96 96 VAL HG23 H 1 0.931 0.02 . 2 . . . . . . . . 6267 1 1096 . 1 1 96 96 VAL C C 13 178.90 0.2 . 1 . . . . . . . . 6267 1 1097 . 1 1 96 96 VAL CA C 13 66.92 0.2 . 1 . . . . . . . . 6267 1 1098 . 1 1 96 96 VAL CB C 13 32.12 0.2 . 1 . . . . . . . . 6267 1 1099 . 1 1 96 96 VAL CG1 C 13 24.00 0.2 . 2 . . . . . . . . 6267 1 1100 . 1 1 96 96 VAL CG2 C 13 21.18 0.2 . 2 . . . . . . . . 6267 1 1101 . 1 1 96 96 VAL N N 15 121.10 0.2 . 1 . . . . . . . . 6267 1 1102 . 1 1 97 97 ALA H H 1 7.938 0.02 . 1 . . . . . . . . 6267 1 1103 . 1 1 97 97 ALA HA H 1 4.066 0.02 . 1 . . . . . . . . 6267 1 1104 . 1 1 97 97 ALA HB1 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 1105 . 1 1 97 97 ALA HB2 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 1106 . 1 1 97 97 ALA HB3 H 1 1.471 0.02 . 1 . . . . . . . . 6267 1 1107 . 1 1 97 97 ALA C C 13 179.60 0.2 . 1 . . . . . . . . 6267 1 1108 . 1 1 97 97 ALA CA C 13 54.69 0.2 . 1 . . . . . . . . 6267 1 1109 . 1 1 97 97 ALA CB C 13 18.07 0.2 . 1 . . . . . . . . 6267 1 1110 . 1 1 97 97 ALA N N 15 120.70 0.2 . 1 . . . . . . . . 6267 1 1111 . 1 1 98 98 ALA H H 1 7.672 0.02 . 1 . . . . . . . . 6267 1 1112 . 1 1 98 98 ALA HA H 1 4.245 0.02 . 1 . . . . . . . . 6267 1 1113 . 1 1 98 98 ALA HB1 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 1114 . 1 1 98 98 ALA HB2 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 1115 . 1 1 98 98 ALA HB3 H 1 1.357 0.02 . 1 . . . . . . . . 6267 1 1116 . 1 1 98 98 ALA C C 13 178.70 0.2 . 1 . . . . . . . . 6267 1 1117 . 1 1 98 98 ALA CA C 13 53.38 0.2 . 1 . . . . . . . . 6267 1 1118 . 1 1 98 98 ALA CB C 13 19.17 0.2 . 1 . . . . . . . . 6267 1 1119 . 1 1 98 98 ALA N N 15 117.50 0.2 . 1 . . . . . . . . 6267 1 1120 . 1 1 99 99 GLN H H 1 7.752 0.02 . 1 . . . . . . . . 6267 1 1121 . 1 1 99 99 GLN HA H 1 4.313 0.02 . 1 . . . . . . . . 6267 1 1122 . 1 1 99 99 GLN HB2 H 1 2.246 0.02 . 2 . . . . . . . . 6267 1 1123 . 1 1 99 99 GLN HB3 H 1 1.895 0.02 . 2 . . . . . . . . 6267 1 1124 . 1 1 99 99 GLN HG2 H 1 2.463 0.02 . 1 . . . . . . . . 6267 1 1125 . 1 1 99 99 GLN HG3 H 1 2.463 0.02 . 1 . . . . . . . . 6267 1 1126 . 1 1 99 99 GLN HE21 H 1 7.401 0.02 . 2 . . . . . . . . 6267 1 1127 . 1 1 99 99 GLN HE22 H 1 7.125 0.02 . 2 . . . . . . . . 6267 1 1128 . 1 1 99 99 GLN C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 1129 . 1 1 99 99 GLN CA C 13 56.51 0.2 . 1 . . . . . . . . 6267 1 1130 . 1 1 99 99 GLN CB C 13 28.53 0.2 . 1 . . . . . . . . 6267 1 1131 . 1 1 99 99 GLN CG C 13 34.00 0.2 . 1 . . . . . . . . 6267 1 1132 . 1 1 99 99 GLN N N 15 115.10 0.2 . 1 . . . . . . . . 6267 1 1133 . 1 1 99 99 GLN NE2 N 15 111.10 0.2 . 1 . . . . . . . . 6267 1 1134 . 1 1 100 100 ARG H H 1 7.959 0.02 . 1 . . . . . . . . 6267 1 1135 . 1 1 100 100 ARG HA H 1 4.294 0.02 . 1 . . . . . . . . 6267 1 1136 . 1 1 100 100 ARG HB2 H 1 1.823 0.02 . 1 . . . . . . . . 6267 1 1137 . 1 1 100 100 ARG HB3 H 1 1.823 0.02 . 1 . . . . . . . . 6267 1 1138 . 1 1 100 100 ARG HG2 H 1 1.593 0.02 . 1 . . . . . . . . 6267 1 1139 . 1 1 100 100 ARG HG3 H 1 1.593 0.02 . 1 . . . . . . . . 6267 1 1140 . 1 1 100 100 ARG HD2 H 1 3.163 0.02 . 1 . . . . . . . . 6267 1 1141 . 1 1 100 100 ARG HD3 H 1 3.163 0.02 . 1 . . . . . . . . 6267 1 1142 . 1 1 100 100 ARG C C 13 176.20 0.2 . 1 . . . . . . . . 6267 1 1143 . 1 1 100 100 ARG CA C 13 56.69 0.2 . 1 . . . . . . . . 6267 1 1144 . 1 1 100 100 ARG CB C 13 30.61 0.2 . 1 . . . . . . . . 6267 1 1145 . 1 1 100 100 ARG CG C 13 27.14 0.2 . 1 . . . . . . . . 6267 1 1146 . 1 1 100 100 ARG CD C 13 43.36 0.2 . 1 . . . . . . . . 6267 1 1147 . 1 1 100 100 ARG N N 15 119.90 0.2 . 1 . . . . . . . . 6267 1 1148 . 1 1 101 101 HIS H H 1 8.361 0.02 . 1 . . . . . . . . 6267 1 1149 . 1 1 101 101 HIS HA H 1 4.749 0.02 . 1 . . . . . . . . 6267 1 1150 . 1 1 101 101 HIS HB2 H 1 3.241 0.02 . 2 . . . . . . . . 6267 1 1151 . 1 1 101 101 HIS HB3 H 1 3.163 0.02 . 2 . . . . . . . . 6267 1 1152 . 1 1 101 101 HIS HD2 H 1 7.126 0.02 . 1 . . . . . . . . 6267 1 1153 . 1 1 101 101 HIS C C 13 175.20 0.2 . 1 . . . . . . . . 6267 1 1154 . 1 1 101 101 HIS CA C 13 55.93 0.2 . 1 . . . . . . . . 6267 1 1155 . 1 1 101 101 HIS CB C 13 29.63 0.2 . 1 . . . . . . . . 6267 1 1156 . 1 1 101 101 HIS N N 15 120.00 0.2 . 1 . . . . . . . . 6267 1 1157 . 1 1 102 102 THR H H 1 8.170 0.02 . 1 . . . . . . . . 6267 1 1158 . 1 1 102 102 THR HA H 1 4.305 0.02 . 1 . . . . . . . . 6267 1 1159 . 1 1 102 102 THR HB H 1 4.221 0.02 . 1 . . . . . . . . 6267 1 1160 . 1 1 102 102 THR HG21 H 1 1.186 0.02 . 1 . . . . . . . . 6267 1 1161 . 1 1 102 102 THR HG22 H 1 1.186 0.02 . 1 . . . . . . . . 6267 1 1162 . 1 1 102 102 THR HG23 H 1 1.186 0.02 . 1 . . . . . . . . 6267 1 1163 . 1 1 102 102 THR C C 13 174.50 0.2 . 1 . . . . . . . . 6267 1 1164 . 1 1 102 102 THR CA C 13 62.02 0.2 . 1 . . . . . . . . 6267 1 1165 . 1 1 102 102 THR CB C 13 69.93 0.2 . 1 . . . . . . . . 6267 1 1166 . 1 1 102 102 THR CG2 C 13 21.63 0.2 . 1 . . . . . . . . 6267 1 1167 . 1 1 102 102 THR N N 15 115.50 0.2 . 1 . . . . . . . . 6267 1 1168 . 1 1 103 103 ALA H H 1 8.429 0.02 . 1 . . . . . . . . 6267 1 1169 . 1 1 103 103 ALA HA H 1 4.296 0.02 . 1 . . . . . . . . 6267 1 1170 . 1 1 103 103 ALA HB1 H 1 1.391 0.02 . 1 . . . . . . . . 6267 1 1171 . 1 1 103 103 ALA HB2 H 1 1.391 0.02 . 1 . . . . . . . . 6267 1 1172 . 1 1 103 103 ALA HB3 H 1 1.391 0.02 . 1 . . . . . . . . 6267 1 1173 . 1 1 103 103 ALA C C 13 177.80 0.2 . 1 . . . . . . . . 6267 1 1174 . 1 1 103 103 ALA CA C 13 52.93 0.2 . 1 . . . . . . . . 6267 1 1175 . 1 1 103 103 ALA CB C 13 19.07 0.2 . 1 . . . . . . . . 6267 1 1176 . 1 1 103 103 ALA N N 15 125.80 0.2 . 1 . . . . . . . . 6267 1 1177 . 1 1 104 104 ASN H H 1 8.410 0.02 . 1 . . . . . . . . 6267 1 1178 . 1 1 104 104 ASN HA H 1 4.635 0.02 . 1 . . . . . . . . 6267 1 1179 . 1 1 104 104 ASN HB2 H 1 2.814 0.02 . 2 . . . . . . . . 6267 1 1180 . 1 1 104 104 ASN HB3 H 1 2.742 0.02 . 2 . . . . . . . . 6267 1 1181 . 1 1 104 104 ASN HD21 H 1 7.668 0.02 . 2 . . . . . . . . 6267 1 1182 . 1 1 104 104 ASN HD22 H 1 6.984 0.02 . 2 . . . . . . . . 6267 1 1183 . 1 1 104 104 ASN C C 13 175.50 0.2 . 1 . . . . . . . . 6267 1 1184 . 1 1 104 104 ASN CA C 13 53.68 0.2 . 1 . . . . . . . . 6267 1 1185 . 1 1 104 104 ASN CB C 13 38.70 0.2 . 1 . . . . . . . . 6267 1 1186 . 1 1 104 104 ASN N N 15 117.60 0.2 . 1 . . . . . . . . 6267 1 1187 . 1 1 104 104 ASN ND2 N 15 113.10 0.2 . 1 . . . . . . . . 6267 1 1188 . 1 1 105 105 GLU H H 1 8.342 0.02 . 1 . . . . . . . . 6267 1 1189 . 1 1 105 105 GLU HA H 1 4.217 0.02 . 1 . . . . . . . . 6267 1 1190 . 1 1 105 105 GLU HB2 H 1 2.033 0.02 . 2 . . . . . . . . 6267 1 1191 . 1 1 105 105 GLU HB3 H 1 1.945 0.02 . 2 . . . . . . . . 6267 1 1192 . 1 1 105 105 GLU HG2 H 1 2.262 0.02 . 2 . . . . . . . . 6267 1 1193 . 1 1 105 105 GLU HG3 H 1 2.231 0.02 . 2 . . . . . . . . 6267 1 1194 . 1 1 105 105 GLU C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 1195 . 1 1 105 105 GLU CA C 13 56.85 0.2 . 1 . . . . . . . . 6267 1 1196 . 1 1 105 105 GLU CB C 13 30.11 0.2 . 1 . . . . . . . . 6267 1 1197 . 1 1 105 105 GLU CG C 13 36.23 0.2 . 1 . . . . . . . . 6267 1 1198 . 1 1 105 105 GLU N N 15 121.00 0.2 . 1 . . . . . . . . 6267 1 1199 . 1 1 106 106 GLU H H 1 8.378 0.02 . 1 . . . . . . . . 6267 1 1200 . 1 1 106 106 GLU HA H 1 4.211 0.02 . 1 . . . . . . . . 6267 1 1201 . 1 1 106 106 GLU HB2 H 1 2.000 0.02 . 2 . . . . . . . . 6267 1 1202 . 1 1 106 106 GLU HB3 H 1 1.924 0.02 . 2 . . . . . . . . 6267 1 1203 . 1 1 106 106 GLU C C 13 176.60 0.2 . 1 . . . . . . . . 6267 1 1204 . 1 1 106 106 GLU CA C 13 56.80 0.2 . 1 . . . . . . . . 6267 1 1205 . 1 1 106 106 GLU CB C 13 30.06 0.2 . 1 . . . . . . . . 6267 1 1206 . 1 1 106 106 GLU N N 15 121.70 0.2 . 1 . . . . . . . . 6267 1 1207 . 1 1 107 107 LYS H H 1 8.264 0.02 . 1 . . . . . . . . 6267 1 1208 . 1 1 107 107 LYS HA H 1 4.284 0.02 . 1 . . . . . . . . 6267 1 1209 . 1 1 107 107 LYS HB2 H 1 1.772 0.02 . 2 . . . . . . . . 6267 1 1210 . 1 1 107 107 LYS HB3 H 1 1.729 0.02 . 2 . . . . . . . . 6267 1 1211 . 1 1 107 107 LYS C C 13 176.80 0.2 . 1 . . . . . . . . 6267 1 1212 . 1 1 107 107 LYS CA C 13 56.41 0.2 . 1 . . . . . . . . 6267 1 1213 . 1 1 107 107 LYS CB C 13 32.86 0.2 . 1 . . . . . . . . 6267 1 1214 . 1 1 107 107 LYS N N 15 122.20 0.2 . 1 . . . . . . . . 6267 1 1215 . 1 1 108 108 VAL H H 1 8.150 0.02 . 1 . . . . . . . . 6267 1 1216 . 1 1 108 108 VAL HA H 1 4.036 0.02 . 1 . . . . . . . . 6267 1 1217 . 1 1 108 108 VAL HB H 1 2.044 0.02 . 1 . . . . . . . . 6267 1 1218 . 1 1 108 108 VAL HG11 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1219 . 1 1 108 108 VAL HG12 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1220 . 1 1 108 108 VAL HG13 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1221 . 1 1 108 108 VAL HG21 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1222 . 1 1 108 108 VAL HG22 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1223 . 1 1 108 108 VAL HG23 H 1 0.922 0.02 . 1 . . . . . . . . 6267 1 1224 . 1 1 108 108 VAL C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 1225 . 1 1 108 108 VAL CA C 13 62.54 0.2 . 1 . . . . . . . . 6267 1 1226 . 1 1 108 108 VAL CB C 13 32.53 0.2 . 1 . . . . . . . . 6267 1 1227 . 1 1 108 108 VAL CG1 C 13 20.87 0.2 . 2 . . . . . . . . 6267 1 1228 . 1 1 108 108 VAL N N 15 121.50 0.2 . 1 . . . . . . . . 6267 1 1229 . 1 1 109 109 LYS H H 1 8.396 0.02 . 1 . . . . . . . . 6267 1 1230 . 1 1 109 109 LYS HA H 1 4.248 0.02 . 1 . . . . . . . . 6267 1 1231 . 1 1 109 109 LYS HB2 H 1 1.777 0.02 . 2 . . . . . . . . 6267 1 1232 . 1 1 109 109 LYS HB3 H 1 1.745 0.02 . 2 . . . . . . . . 6267 1 1233 . 1 1 109 109 LYS C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 1234 . 1 1 109 109 LYS CA C 13 56.70 0.2 . 1 . . . . . . . . 6267 1 1235 . 1 1 109 109 LYS CB C 13 32.87 0.2 . 1 . . . . . . . . 6267 1 1236 . 1 1 109 109 LYS N N 15 125.20 0.2 . 1 . . . . . . . . 6267 1 1237 . 1 1 110 110 ASP H H 1 8.395 0.02 . 1 . . . . . . . . 6267 1 1238 . 1 1 110 110 ASP HA H 1 4.574 0.02 . 1 . . . . . . . . 6267 1 1239 . 1 1 110 110 ASP HB2 H 1 2.692 0.02 . 2 . . . . . . . . 6267 1 1240 . 1 1 110 110 ASP HB3 H 1 2.614 0.02 . 2 . . . . . . . . 6267 1 1241 . 1 1 110 110 ASP C C 13 176.40 0.2 . 1 . . . . . . . . 6267 1 1242 . 1 1 110 110 ASP CA C 13 54.60 0.2 . 1 . . . . . . . . 6267 1 1243 . 1 1 110 110 ASP CB C 13 41.16 0.2 . 1 . . . . . . . . 6267 1 1244 . 1 1 110 110 ASP N N 15 121.80 0.2 . 1 . . . . . . . . 6267 1 1245 . 1 1 111 111 SER H H 1 8.272 0.02 . 1 . . . . . . . . 6267 1 1246 . 1 1 111 111 SER HA H 1 4.371 0.02 . 1 . . . . . . . . 6267 1 1247 . 1 1 111 111 SER HB2 H 1 3.867 0.02 . 1 . . . . . . . . 6267 1 1248 . 1 1 111 111 SER HB3 H 1 3.867 0.02 . 1 . . . . . . . . 6267 1 1249 . 1 1 111 111 SER C C 13 174.70 0.2 . 1 . . . . . . . . 6267 1 1250 . 1 1 111 111 SER CA C 13 58.74 0.2 . 1 . . . . . . . . 6267 1 1251 . 1 1 111 111 SER CB C 13 63.69 0.2 . 1 . . . . . . . . 6267 1 1252 . 1 1 111 111 SER N N 15 116.20 0.2 . 1 . . . . . . . . 6267 1 1253 . 1 1 112 112 LEU H H 1 8.286 0.02 . 1 . . . . . . . . 6267 1 1254 . 1 1 112 112 LEU HA H 1 4.329 0.02 . 1 . . . . . . . . 6267 1 1255 . 1 1 112 112 LEU HB2 H 1 1.664 0.02 . 2 . . . . . . . . 6267 1 1256 . 1 1 112 112 LEU HB3 H 1 1.574 0.02 . 2 . . . . . . . . 6267 1 1257 . 1 1 112 112 LEU HG H 1 1.603 0.02 . 1 . . . . . . . . 6267 1 1258 . 1 1 112 112 LEU HD11 H 1 0.905 0.02 . 2 . . . . . . . . 6267 1 1259 . 1 1 112 112 LEU HD12 H 1 0.905 0.02 . 2 . . . . . . . . 6267 1 1260 . 1 1 112 112 LEU HD13 H 1 0.905 0.02 . 2 . . . . . . . . 6267 1 1261 . 1 1 112 112 LEU HD21 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1262 . 1 1 112 112 LEU HD22 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1263 . 1 1 112 112 LEU HD23 H 1 0.844 0.02 . 2 . . . . . . . . 6267 1 1264 . 1 1 112 112 LEU C C 13 177.50 0.2 . 1 . . . . . . . . 6267 1 1265 . 1 1 112 112 LEU CA C 13 55.37 0.2 . 1 . . . . . . . . 6267 1 1266 . 1 1 112 112 LEU CB C 13 42.02 0.2 . 1 . . . . . . . . 6267 1 1267 . 1 1 112 112 LEU CG C 13 26.92 0.2 . 1 . . . . . . . . 6267 1 1268 . 1 1 112 112 LEU CD1 C 13 24.89 0.2 . 2 . . . . . . . . 6267 1 1269 . 1 1 112 112 LEU CD2 C 13 23.33 0.2 . 2 . . . . . . . . 6267 1 1270 . 1 1 112 112 LEU N N 15 123.50 0.2 . 1 . . . . . . . . 6267 1 1271 . 1 1 113 113 LYS H H 1 8.118 0.02 . 1 . . . . . . . . 6267 1 1272 . 1 1 113 113 LYS HA H 1 4.273 0.02 . 1 . . . . . . . . 6267 1 1273 . 1 1 113 113 LYS HB2 H 1 1.791 0.02 . 2 . . . . . . . . 6267 1 1274 . 1 1 113 113 LYS HB3 H 1 1.706 0.02 . 2 . . . . . . . . 6267 1 1275 . 1 1 113 113 LYS C C 13 176.20 0.2 . 1 . . . . . . . . 6267 1 1276 . 1 1 113 113 LYS CA C 13 56.40 0.2 . 1 . . . . . . . . 6267 1 1277 . 1 1 113 113 LYS CB C 13 33.07 0.2 . 1 . . . . . . . . 6267 1 1278 . 1 1 113 113 LYS N N 15 121.40 0.2 . 1 . . . . . . . . 6267 1 1279 . 1 1 114 114 ASP H H 1 8.304 0.02 . 1 . . . . . . . . 6267 1 1280 . 1 1 114 114 ASP HA H 1 4.551 0.02 . 1 . . . . . . . . 6267 1 1281 . 1 1 114 114 ASP HB2 H 1 2.573 0.02 . 1 . . . . . . . . 6267 1 1282 . 1 1 114 114 ASP HB3 H 1 2.573 0.02 . 1 . . . . . . . . 6267 1 1283 . 1 1 114 114 ASP C C 13 175.80 0.2 . 1 . . . . . . . . 6267 1 1284 . 1 1 114 114 ASP CA C 13 54.39 0.2 . 1 . . . . . . . . 6267 1 1285 . 1 1 114 114 ASP CB C 13 41.29 0.2 . 1 . . . . . . . . 6267 1 1286 . 1 1 114 114 ASP N N 15 121.30 0.2 . 1 . . . . . . . . 6267 1 1287 . 1 1 115 115 SER H H 1 7.975 0.02 . 1 . . . . . . . . 6267 1 1288 . 1 1 115 115 SER HA H 1 4.367 0.02 . 1 . . . . . . . . 6267 1 1289 . 1 1 115 115 SER HB2 H 1 3.731 0.02 . 1 . . . . . . . . 6267 1 1290 . 1 1 115 115 SER HB3 H 1 3.731 0.02 . 1 . . . . . . . . 6267 1 1291 . 1 1 115 115 SER C C 13 173.90 0.2 . 1 . . . . . . . . 6267 1 1292 . 1 1 115 115 SER CA C 13 58.05 0.2 . 1 . . . . . . . . 6267 1 1293 . 1 1 115 115 SER CB C 13 64.06 0.2 . 1 . . . . . . . . 6267 1 1294 . 1 1 115 115 SER N N 15 115.00 0.2 . 1 . . . . . . . . 6267 1 1295 . 1 1 116 116 PHE H H 1 8.330 0.02 . 1 . . . . . . . . 6267 1 1296 . 1 1 116 116 PHE HA H 1 4.663 0.02 . 1 . . . . . . . . 6267 1 1297 . 1 1 116 116 PHE HB2 H 1 3.225 0.02 . 2 . . . . . . . . 6267 1 1298 . 1 1 116 116 PHE HB3 H 1 2.940 0.02 . 2 . . . . . . . . 6267 1 1299 . 1 1 116 116 PHE C C 13 174.70 0.2 . 1 . . . . . . . . 6267 1 1300 . 1 1 116 116 PHE CA C 13 57.52 0.2 . 1 . . . . . . . . 6267 1 1301 . 1 1 116 116 PHE CB C 13 39.55 0.2 . 1 . . . . . . . . 6267 1 1302 . 1 1 116 116 PHE N N 15 122.00 0.2 . 1 . . . . . . . . 6267 1 1303 . 1 1 117 117 ASP H H 1 7.975 0.02 . 1 . . . . . . . . 6267 1 1304 . 1 1 117 117 ASP HA H 1 4.381 0.02 . 1 . . . . . . . . 6267 1 1305 . 1 1 117 117 ASP HB2 H 1 2.650 0.02 . 2 . . . . . . . . 6267 1 1306 . 1 1 117 117 ASP HB3 H 1 2.558 0.02 . 2 . . . . . . . . 6267 1 1307 . 1 1 117 117 ASP C C 13 180.80 0.2 . 1 . . . . . . . . 6267 1 1308 . 1 1 117 117 ASP CA C 13 55.83 0.2 . 1 . . . . . . . . 6267 1 1309 . 1 1 117 117 ASP CB C 13 42.19 0.2 . 1 . . . . . . . . 6267 1 1310 . 1 1 117 117 ASP N N 15 126.40 0.2 . 1 . . . . . . . . 6267 1 stop_ save_