data_25402 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25402 _Entry.Title ; Solution structure of the full length sorting nexin 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-12-20 _Entry.Accession_date 2014-12-20 _Entry.Last_release_date 2015-08-13 _Entry.Original_release_date 2015-08-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'The solution structure of SNX3' _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.ORCID _Entry_author.Entry_ID 1 Marc Lenoir . M.L. . . 25402 2 Sandya Rajesh . S.R. . . 25402 3 Jean Gruenberg . J.G. . . 25402 4 Michael Overduin . M.O. . . 25402 5 Jaswant Kaur . J.K. . . 25402 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 25402 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'School of Cancer sciences' . 25402 2 . 'University of Geneva' . 25402 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PI3P . 25402 SNX3 . 25402 endosome . 25402 membrane . 25402 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25402 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 729 25402 '15N chemical shifts' 165 25402 '1H chemical shifts' 1177 25402 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2016-09-09 2014-12-20 update BMRB 'update entry citation' 25402 1 . . 2015-08-13 2014-12-20 original author 'original release' 25402 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MXC 'BMRB Entry Tracking System' 25402 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 25402 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 25893673 _Citation.Full_citation . _Citation.Title ; Secondary structure and 1H, 13C, 15N resonance assignments of the endosomal sorting protein sorting nexin 3 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 355 _Citation.Page_last 358 _Citation.Year 2015 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael Overduin . . . . 25402 1 2 Sandya Rajesh . . . . 25402 1 3 Jean Gruenberg . . . . 25402 1 4 Marc Lenoir . . . . 25402 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25402 _Assembly.ID 1 _Assembly.Name SNX3FL _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 19924.6031 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SNX3FL 1 $SNX3FL A . yes native no no . . . 25402 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SNX3FL _Entity.Sf_category entity _Entity.Sf_framecode SNX3FL _Entity.Entry_ID 25402 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SNX3FL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAHHHHHHVGTAETVADTRR LITKPQNLNDAYGPPSNFLE IDVSNPQTVGVGRGRFTTYE IRVKTNLPIFKLKESTVRRR YSDFEWLRSELERESKVVVP PLPGKAFLRQLPFRGDDGIF DDNFIEERKQGLEQFINKVA GHPLAQNERCLHMFLQDEII DKSYTPSKIRHA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 19924.6031 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 -9 MET . 25402 1 2 -8 ALA . 25402 1 3 -7 HIS . 25402 1 4 -6 HIS . 25402 1 5 -5 HIS . 25402 1 6 -4 HIS . 25402 1 7 -3 HIS . 25402 1 8 -2 HIS . 25402 1 9 -1 VAL . 25402 1 10 0 GLY . 25402 1 11 1 THR . 25402 1 12 2 ALA . 25402 1 13 3 GLU . 25402 1 14 4 THR . 25402 1 15 5 VAL . 25402 1 16 6 ALA . 25402 1 17 7 ASP . 25402 1 18 8 THR . 25402 1 19 9 ARG . 25402 1 20 10 ARG . 25402 1 21 11 LEU . 25402 1 22 12 ILE . 25402 1 23 13 THR . 25402 1 24 14 LYS . 25402 1 25 15 PRO . 25402 1 26 16 GLN . 25402 1 27 17 ASN . 25402 1 28 18 LEU . 25402 1 29 19 ASN . 25402 1 30 20 ASP . 25402 1 31 21 ALA . 25402 1 32 22 TYR . 25402 1 33 23 GLY . 25402 1 34 24 PRO . 25402 1 35 25 PRO . 25402 1 36 26 SER . 25402 1 37 27 ASN . 25402 1 38 28 PHE . 25402 1 39 29 LEU . 25402 1 40 30 GLU . 25402 1 41 31 ILE . 25402 1 42 32 ASP . 25402 1 43 33 VAL . 25402 1 44 34 SER . 25402 1 45 35 ASN . 25402 1 46 36 PRO . 25402 1 47 37 GLN . 25402 1 48 38 THR . 25402 1 49 39 VAL . 25402 1 50 40 GLY . 25402 1 51 41 VAL . 25402 1 52 42 GLY . 25402 1 53 43 ARG . 25402 1 54 44 GLY . 25402 1 55 45 ARG . 25402 1 56 46 PHE . 25402 1 57 47 THR . 25402 1 58 48 THR . 25402 1 59 49 TYR . 25402 1 60 50 GLU . 25402 1 61 51 ILE . 25402 1 62 52 ARG . 25402 1 63 53 VAL . 25402 1 64 54 LYS . 25402 1 65 55 THR . 25402 1 66 56 ASN . 25402 1 67 57 LEU . 25402 1 68 58 PRO . 25402 1 69 59 ILE . 25402 1 70 60 PHE . 25402 1 71 61 LYS . 25402 1 72 62 LEU . 25402 1 73 63 LYS . 25402 1 74 64 GLU . 25402 1 75 65 SER . 25402 1 76 66 THR . 25402 1 77 67 VAL . 25402 1 78 68 ARG . 25402 1 79 69 ARG . 25402 1 80 70 ARG . 25402 1 81 71 TYR . 25402 1 82 72 SER . 25402 1 83 73 ASP . 25402 1 84 74 PHE . 25402 1 85 75 GLU . 25402 1 86 76 TRP . 25402 1 87 77 LEU . 25402 1 88 78 ARG . 25402 1 89 79 SER . 25402 1 90 80 GLU . 25402 1 91 81 LEU . 25402 1 92 82 GLU . 25402 1 93 83 ARG . 25402 1 94 84 GLU . 25402 1 95 85 SER . 25402 1 96 86 LYS . 25402 1 97 87 VAL . 25402 1 98 88 VAL . 25402 1 99 89 VAL . 25402 1 100 90 PRO . 25402 1 101 91 PRO . 25402 1 102 92 LEU . 25402 1 103 93 PRO . 25402 1 104 94 GLY . 25402 1 105 95 LYS . 25402 1 106 96 ALA . 25402 1 107 97 PHE . 25402 1 108 98 LEU . 25402 1 109 99 ARG . 25402 1 110 100 GLN . 25402 1 111 101 LEU . 25402 1 112 102 PRO . 25402 1 113 103 PHE . 25402 1 114 104 ARG . 25402 1 115 105 GLY . 25402 1 116 106 ASP . 25402 1 117 107 ASP . 25402 1 118 108 GLY . 25402 1 119 109 ILE . 25402 1 120 110 PHE . 25402 1 121 111 ASP . 25402 1 122 112 ASP . 25402 1 123 113 ASN . 25402 1 124 114 PHE . 25402 1 125 115 ILE . 25402 1 126 116 GLU . 25402 1 127 117 GLU . 25402 1 128 118 ARG . 25402 1 129 119 LYS . 25402 1 130 120 GLN . 25402 1 131 121 GLY . 25402 1 132 122 LEU . 25402 1 133 123 GLU . 25402 1 134 124 GLN . 25402 1 135 125 PHE . 25402 1 136 126 ILE . 25402 1 137 127 ASN . 25402 1 138 128 LYS . 25402 1 139 129 VAL . 25402 1 140 130 ALA . 25402 1 141 131 GLY . 25402 1 142 132 HIS . 25402 1 143 133 PRO . 25402 1 144 134 LEU . 25402 1 145 135 ALA . 25402 1 146 136 GLN . 25402 1 147 137 ASN . 25402 1 148 138 GLU . 25402 1 149 139 ARG . 25402 1 150 140 CYS . 25402 1 151 141 LEU . 25402 1 152 142 HIS . 25402 1 153 143 MET . 25402 1 154 144 PHE . 25402 1 155 145 LEU . 25402 1 156 146 GLN . 25402 1 157 147 ASP . 25402 1 158 148 GLU . 25402 1 159 149 ILE . 25402 1 160 150 ILE . 25402 1 161 151 ASP . 25402 1 162 152 LYS . 25402 1 163 153 SER . 25402 1 164 154 TYR . 25402 1 165 155 THR . 25402 1 166 156 PRO . 25402 1 167 157 SER . 25402 1 168 158 LYS . 25402 1 169 159 ILE . 25402 1 170 160 ARG . 25402 1 171 161 HIS . 25402 1 172 162 ALA . 25402 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 . MET 1 1 25402 1 . ALA 2 2 25402 1 . HIS 3 3 25402 1 . HIS 4 4 25402 1 . HIS 5 5 25402 1 . HIS 6 6 25402 1 . HIS 7 7 25402 1 . HIS 8 8 25402 1 . VAL 9 9 25402 1 . GLY 10 10 25402 1 . THR 11 11 25402 1 . ALA 12 12 25402 1 . GLU 13 13 25402 1 . THR 14 14 25402 1 . VAL 15 15 25402 1 . ALA 16 16 25402 1 . ASP 17 17 25402 1 . THR 18 18 25402 1 . ARG 19 19 25402 1 . ARG 20 20 25402 1 . LEU 21 21 25402 1 . ILE 22 22 25402 1 . THR 23 23 25402 1 . LYS 24 24 25402 1 . PRO 25 25 25402 1 . GLN 26 26 25402 1 . ASN 27 27 25402 1 . LEU 28 28 25402 1 . ASN 29 29 25402 1 . ASP 30 30 25402 1 . ALA 31 31 25402 1 . TYR 32 32 25402 1 . GLY 33 33 25402 1 . PRO 34 34 25402 1 . PRO 35 35 25402 1 . SER 36 36 25402 1 . ASN 37 37 25402 1 . PHE 38 38 25402 1 . LEU 39 39 25402 1 . GLU 40 40 25402 1 . ILE 41 41 25402 1 . ASP 42 42 25402 1 . VAL 43 43 25402 1 . SER 44 44 25402 1 . ASN 45 45 25402 1 . PRO 46 46 25402 1 . GLN 47 47 25402 1 . THR 48 48 25402 1 . VAL 49 49 25402 1 . GLY 50 50 25402 1 . VAL 51 51 25402 1 . GLY 52 52 25402 1 . ARG 53 53 25402 1 . GLY 54 54 25402 1 . ARG 55 55 25402 1 . PHE 56 56 25402 1 . THR 57 57 25402 1 . THR 58 58 25402 1 . TYR 59 59 25402 1 . GLU 60 60 25402 1 . ILE 61 61 25402 1 . ARG 62 62 25402 1 . VAL 63 63 25402 1 . LYS 64 64 25402 1 . THR 65 65 25402 1 . ASN 66 66 25402 1 . LEU 67 67 25402 1 . PRO 68 68 25402 1 . ILE 69 69 25402 1 . PHE 70 70 25402 1 . LYS 71 71 25402 1 . LEU 72 72 25402 1 . LYS 73 73 25402 1 . GLU 74 74 25402 1 . SER 75 75 25402 1 . THR 76 76 25402 1 . VAL 77 77 25402 1 . ARG 78 78 25402 1 . ARG 79 79 25402 1 . ARG 80 80 25402 1 . TYR 81 81 25402 1 . SER 82 82 25402 1 . ASP 83 83 25402 1 . PHE 84 84 25402 1 . GLU 85 85 25402 1 . TRP 86 86 25402 1 . LEU 87 87 25402 1 . ARG 88 88 25402 1 . SER 89 89 25402 1 . GLU 90 90 25402 1 . LEU 91 91 25402 1 . GLU 92 92 25402 1 . ARG 93 93 25402 1 . GLU 94 94 25402 1 . SER 95 95 25402 1 . LYS 96 96 25402 1 . VAL 97 97 25402 1 . VAL 98 98 25402 1 . VAL 99 99 25402 1 . PRO 100 100 25402 1 . PRO 101 101 25402 1 . LEU 102 102 25402 1 . PRO 103 103 25402 1 . GLY 104 104 25402 1 . LYS 105 105 25402 1 . ALA 106 106 25402 1 . PHE 107 107 25402 1 . LEU 108 108 25402 1 . ARG 109 109 25402 1 . GLN 110 110 25402 1 . LEU 111 111 25402 1 . PRO 112 112 25402 1 . PHE 113 113 25402 1 . ARG 114 114 25402 1 . GLY 115 115 25402 1 . ASP 116 116 25402 1 . ASP 117 117 25402 1 . GLY 118 118 25402 1 . ILE 119 119 25402 1 . PHE 120 120 25402 1 . ASP 121 121 25402 1 . ASP 122 122 25402 1 . ASN 123 123 25402 1 . PHE 124 124 25402 1 . ILE 125 125 25402 1 . GLU 126 126 25402 1 . GLU 127 127 25402 1 . ARG 128 128 25402 1 . LYS 129 129 25402 1 . GLN 130 130 25402 1 . GLY 131 131 25402 1 . LEU 132 132 25402 1 . GLU 133 133 25402 1 . GLN 134 134 25402 1 . PHE 135 135 25402 1 . ILE 136 136 25402 1 . ASN 137 137 25402 1 . LYS 138 138 25402 1 . VAL 139 139 25402 1 . ALA 140 140 25402 1 . GLY 141 141 25402 1 . HIS 142 142 25402 1 . PRO 143 143 25402 1 . LEU 144 144 25402 1 . ALA 145 145 25402 1 . GLN 146 146 25402 1 . ASN 147 147 25402 1 . GLU 148 148 25402 1 . ARG 149 149 25402 1 . CYS 150 150 25402 1 . LEU 151 151 25402 1 . HIS 152 152 25402 1 . MET 153 153 25402 1 . PHE 154 154 25402 1 . LEU 155 155 25402 1 . GLN 156 156 25402 1 . ASP 157 157 25402 1 . GLU 158 158 25402 1 . ILE 159 159 25402 1 . ILE 160 160 25402 1 . ASP 161 161 25402 1 . LYS 162 162 25402 1 . SER 163 163 25402 1 . TYR 164 164 25402 1 . THR 165 165 25402 1 . PRO 166 166 25402 1 . SER 167 167 25402 1 . LYS 168 168 25402 1 . ILE 169 169 25402 1 . ARG 170 170 25402 1 . HIS 171 171 25402 1 . ALA 172 172 25402 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 25402 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SNX3FL . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 25402 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 25402 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SNX3FL . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . . Escherichia coli 'BL21 DE3' . . . . . PET28 . . . 25402 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Assignments _Sample.Sf_category sample _Sample.Sf_framecode Assignments _Sample.Entry_ID 25402 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 SNX3FL '[U-100% 13C; U-100% 15N]' . . 1 $SNX3FL . . 0.5 . . mM . . . . 25402 1 2 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 25402 1 3 'Sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25402 1 stop_ save_ ####################### # Sample conditions # ####################### save_CondSet1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode CondSet1 _Sample_condition_list.Entry_ID 25402 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.100 . M 25402 1 pH 6.5 . pH 25402 1 pressure 1.000 . atm 25402 1 temperature 298 . K 25402 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNmr_Analysis _Software.Entry_ID 25402 _Software.ID 1 _Software.Name CcpNmr_Analysis _Software.Version 2.2 _Software.Details 'The CCPN NMR assignment and data analysis application' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 25402 1 "Linge, O'Donoghue and Nilges" . . 25402 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 25402 1 'data analysis' 25402 1 'structure solution' 25402 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25402 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25402 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25402 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800 _NMR_spectrometer.Entry_ID 25402 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityInova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25402 _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 1 800 Varian UnityInova . 800 . . . 25402 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 25402 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC/HMQC' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 2 '3D HNCA' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 4 '3D HNCO' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 6 '3D HNCACB' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 7 '3D HNCO' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $Assignments isotropic . . 1 $CondSet1 . . . 1 $800 . . . . . . . . . . . . . . . . 25402 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25402 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 HDO H . . . . ppm 4.763 internal indirect 0.251449530 . . . . . 25402 1 H 1 HDO H . . . . ppm 4.763 internal indirect 1.0 . . . . . 25402 1 N 15 HDO H . . . . ppm 4.763 internal indirect 0.101329118 . . . . . 25402 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list _Assigned_chem_shift_list.Entry_ID 25402 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $CondSet1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC/HMQC' 1 $Assignments isotropic 25402 1 2 '3D HNCA' 1 $Assignments isotropic 25402 1 3 '3D HN(CO)CA' 1 $Assignments isotropic 25402 1 4 '3D HNCO' 1 $Assignments isotropic 25402 1 5 '3D CBCA(CO)NH' 1 $Assignments isotropic 25402 1 6 '3D HNCACB' 1 $Assignments isotropic 25402 1 8 '3D HN(CA)CO' 1 $Assignments isotropic 25402 1 9 '3D HCCH-TOCSY' 1 $Assignments isotropic 25402 1 10 '3D 1H-13C NOESY' 1 $Assignments isotropic 25402 1 11 '3D 1H-15N NOESY' 1 $Assignments isotropic 25402 1 12 '2D 1H-13C HSQC' 1 $Assignments isotropic 25402 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $CcpNmr_Analysis . . 25402 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 9 9 VAL HA H 1 4.071 0.004 . 1 . 553 . A -1 VAL HA . 25402 1 2 . 1 1 9 9 VAL HB H 1 2.036 0.013 . 1 . 554 . A -1 VAL HB . 25402 1 3 . 1 1 9 9 VAL HG11 H 1 0.892 0.015 . 1 . 556 . A -1 VAL HG11 . 25402 1 4 . 1 1 9 9 VAL HG12 H 1 0.892 0.015 . 1 . 556 . A -1 VAL HG12 . 25402 1 5 . 1 1 9 9 VAL HG13 H 1 0.892 0.015 . 1 . 556 . A -1 VAL HG13 . 25402 1 6 . 1 1 9 9 VAL HG21 H 1 0.893 0.015 . 1 . 557 . A -1 VAL HG21 . 25402 1 7 . 1 1 9 9 VAL HG22 H 1 0.893 0.015 . 1 . 557 . A -1 VAL HG22 . 25402 1 8 . 1 1 9 9 VAL HG23 H 1 0.893 0.015 . 1 . 557 . A -1 VAL HG23 . 25402 1 9 . 1 1 9 9 VAL CA C 13 62.419 0.03 . 1 . 506 . A -1 VAL CA . 25402 1 10 . 1 1 9 9 VAL CB C 13 32.707 0.025 . 1 . 505 . A -1 VAL CB . 25402 1 11 . 1 1 9 9 VAL CG1 C 13 20.360 0.068 . 1 . 558 . A -1 VAL CG1 . 25402 1 12 . 1 1 9 9 VAL CG2 C 13 20.360 0.068 . 1 . 555 . A -1 VAL CG2 . 25402 1 13 . 1 1 10 10 GLY H H 1 8.471 0.008 . 1 . 262 . A 0 GLY H . 25402 1 14 . 1 1 10 10 GLY HA2 H 1 4.002 0.003 . 1 . 833 . A 0 GLY HA2 . 25402 1 15 . 1 1 10 10 GLY HA3 H 1 4.002 0.003 . 1 . 832 . A 0 GLY HA3 . 25402 1 16 . 1 1 10 10 GLY CA C 13 45.172 0.023 . 1 . 318 . A 0 GLY CA . 25402 1 17 . 1 1 10 10 GLY N N 15 112.649 0.08 . 1 . 263 . A 0 GLY N . 25402 1 18 . 1 1 11 11 THR H H 1 8.066 0.006 . 1 . 258 . A 1 THR H . 25402 1 19 . 1 1 11 11 THR HA H 1 4.330 0.007 . 1 . 562 . A 1 THR HA . 25402 1 20 . 1 1 11 11 THR HB H 1 4.229 0.003 . 1 . 560 . A 1 THR HB . 25402 1 21 . 1 1 11 11 THR HG21 H 1 1.178 0.008 . 1 . 561 . A 1 THR HG21 . 25402 1 22 . 1 1 11 11 THR HG22 H 1 1.178 0.008 . 1 . 561 . A 1 THR HG22 . 25402 1 23 . 1 1 11 11 THR HG23 H 1 1.178 0.008 . 1 . 561 . A 1 THR HG23 . 25402 1 24 . 1 1 11 11 THR C C 13 174.688 0.015 . 1 . 1477 . A 1 THR C . 25402 1 25 . 1 1 11 11 THR CA C 13 61.829 0.026 . 1 . 332 . A 1 THR CA . 25402 1 26 . 1 1 11 11 THR CB C 13 69.950 . . 1 . 559 . A 1 THR CB . 25402 1 27 . 1 1 11 11 THR CG2 C 13 21.734 0.019 . 1 . 563 . A 1 THR CG2 . 25402 1 28 . 1 1 11 11 THR N N 15 113.881 0.088 . 1 . 259 . A 1 THR N . 25402 1 29 . 1 1 12 12 ALA H H 1 8.414 0.004 . 1 . 120 . A 2 ALA H . 25402 1 30 . 1 1 12 12 ALA HA H 1 4.306 0.002 . 1 . 1555 . A 2 ALA HA . 25402 1 31 . 1 1 12 12 ALA HB1 H 1 1.372 0.007 . 1 . 1556 . A 2 ALA HB1 . 25402 1 32 . 1 1 12 12 ALA HB2 H 1 1.372 0.007 . 1 . 1556 . A 2 ALA HB2 . 25402 1 33 . 1 1 12 12 ALA HB3 H 1 1.372 0.007 . 1 . 1556 . A 2 ALA HB3 . 25402 1 34 . 1 1 12 12 ALA C C 13 177.953 0.009 . 1 . 1199 . A 2 ALA C . 25402 1 35 . 1 1 12 12 ALA CA C 13 52.730 0.03 . 1 . 433 . A 2 ALA CA . 25402 1 36 . 1 1 12 12 ALA CB C 13 19.203 0.019 . 1 . 458 . A 2 ALA CB . 25402 1 37 . 1 1 12 12 ALA N N 15 126.261 0.02 . 1 . 121 . A 2 ALA N . 25402 1 38 . 1 1 13 13 GLU H H 1 8.398 0.006 . 1 . 27 . A 3 GLU H . 25402 1 39 . 1 1 13 13 GLU HA H 1 4.282 0.008 . 1 . 564 . A 3 GLU HA . 25402 1 40 . 1 1 13 13 GLU HB2 H 1 2.029 0.013 . 2 . 567 . A 3 GLU HB2 . 25402 1 41 . 1 1 13 13 GLU HB3 H 1 1.925 0.007 . 2 . 566 . A 3 GLU HB3 . 25402 1 42 . 1 1 13 13 GLU HG2 H 1 2.235 0.007 . 1 . 569 . A 3 GLU HG2 . 25402 1 43 . 1 1 13 13 GLU HG3 H 1 2.235 0.007 . 1 . 568 . A 3 GLU HG3 . 25402 1 44 . 1 1 13 13 GLU C C 13 176.963 0.003 . 1 . 1478 . A 3 GLU C . 25402 1 45 . 1 1 13 13 GLU CA C 13 56.750 0.039 . 1 . 382 . A 3 GLU CA . 25402 1 46 . 1 1 13 13 GLU CB C 13 30.347 0.041 . 1 . 457 . A 3 GLU CB . 25402 1 47 . 1 1 13 13 GLU CG C 13 36.382 0.016 . 1 . 565 . A 3 GLU CG . 25402 1 48 . 1 1 13 13 GLU N N 15 120.140 0.058 . 1 . 28 . A 3 GLU N . 25402 1 49 . 1 1 14 14 THR H H 1 8.199 0.015 . 1 . 249 . A 4 THR H . 25402 1 50 . 1 1 14 14 THR HA H 1 4.327 0.011 . 1 . 1894 . A 4 THR HA . 25402 1 51 . 1 1 14 14 THR HB H 1 4.192 0.008 . 1 . 571 . A 4 THR HB . 25402 1 52 . 1 1 14 14 THR HG21 H 1 1.175 0.003 . 1 . 572 . A 4 THR HG21 . 25402 1 53 . 1 1 14 14 THR HG22 H 1 1.175 0.003 . 1 . 572 . A 4 THR HG22 . 25402 1 54 . 1 1 14 14 THR HG23 H 1 1.175 0.003 . 1 . 572 . A 4 THR HG23 . 25402 1 55 . 1 1 14 14 THR C C 13 174.863 0.012 . 1 . 1479 . A 4 THR C . 25402 1 56 . 1 1 14 14 THR CA C 13 61.946 0.029 . 1 . 352 . A 4 THR CA . 25402 1 57 . 1 1 14 14 THR CB C 13 69.896 0.027 . 1 . 570 . A 4 THR CB . 25402 1 58 . 1 1 14 14 THR CG2 C 13 21.618 0.03 . 1 . 1895 . A 4 THR CG2 . 25402 1 59 . 1 1 14 14 THR N N 15 115.574 0.03 . 1 . 250 . A 4 THR N . 25402 1 60 . 1 1 15 15 VAL H H 1 8.165 0.003 . 1 . 13 . A 5 VAL H . 25402 1 61 . 1 1 15 15 VAL HA H 1 4.072 0.009 . 1 . 574 . A 5 VAL HA . 25402 1 62 . 1 1 15 15 VAL HB H 1 2.050 0.014 . 1 . 573 . A 5 VAL HB . 25402 1 63 . 1 1 15 15 VAL HG11 H 1 0.918 0.002 . 1 . 575 . A 5 VAL HG11 . 25402 1 64 . 1 1 15 15 VAL HG12 H 1 0.918 0.002 . 1 . 575 . A 5 VAL HG12 . 25402 1 65 . 1 1 15 15 VAL HG13 H 1 0.918 0.002 . 1 . 575 . A 5 VAL HG13 . 25402 1 66 . 1 1 15 15 VAL HG21 H 1 0.918 0.002 . 1 . 576 . A 5 VAL HG21 . 25402 1 67 . 1 1 15 15 VAL HG22 H 1 0.918 0.002 . 1 . 576 . A 5 VAL HG22 . 25402 1 68 . 1 1 15 15 VAL HG23 H 1 0.918 0.002 . 1 . 576 . A 5 VAL HG23 . 25402 1 69 . 1 1 15 15 VAL C C 13 176.195 0.007 . 1 . 1480 . A 5 VAL C . 25402 1 70 . 1 1 15 15 VAL CA C 13 62.485 0.034 . 1 . 456 . A 5 VAL CA . 25402 1 71 . 1 1 15 15 VAL CB C 13 32.668 0.019 . 1 . 414 . A 5 VAL CB . 25402 1 72 . 1 1 15 15 VAL CG1 C 13 20.642 0.029 . 1 . 1897 . A 5 VAL CG1 . 25402 1 73 . 1 1 15 15 VAL CG2 C 13 20.642 0.029 . 1 . 1896 . A 5 VAL CG2 . 25402 1 74 . 1 1 15 15 VAL N N 15 122.726 0.053 . 1 . 14 . A 5 VAL N . 25402 1 75 . 1 1 16 16 ALA H H 1 8.334 0.003 . 1 . 5 . A 6 ALA H . 25402 1 76 . 1 1 16 16 ALA HA H 1 4.264 0.006 . 1 . 1558 . A 6 ALA HA . 25402 1 77 . 1 1 16 16 ALA HB1 H 1 1.357 0.003 . 1 . 1557 . A 6 ALA HB1 . 25402 1 78 . 1 1 16 16 ALA HB2 H 1 1.357 0.003 . 1 . 1557 . A 6 ALA HB2 . 25402 1 79 . 1 1 16 16 ALA HB3 H 1 1.357 0.003 . 1 . 1557 . A 6 ALA HB3 . 25402 1 80 . 1 1 16 16 ALA C C 13 177.765 0.005 . 1 . 1481 . A 6 ALA C . 25402 1 81 . 1 1 16 16 ALA CA C 13 52.765 0.045 . 1 . 435 . A 6 ALA CA . 25402 1 82 . 1 1 16 16 ALA CB C 13 19.241 0.043 . 1 . 436 . A 6 ALA CB . 25402 1 83 . 1 1 16 16 ALA N N 15 127.330 0.087 . 1 . 6 . A 6 ALA N . 25402 1 84 . 1 1 17 17 ASP H H 1 8.244 0.004 . 1 . 195 . A 7 ASP H . 25402 1 85 . 1 1 17 17 ASP HA H 1 4.618 0.008 . 1 . 581 . A 7 ASP HA . 25402 1 86 . 1 1 17 17 ASP HB2 H 1 2.744 0.007 . 2 . 578 . A 7 ASP HB2 . 25402 1 87 . 1 1 17 17 ASP HB3 H 1 2.654 0.004 . 2 . 579 . A 7 ASP HB3 . 25402 1 88 . 1 1 17 17 ASP C C 13 177.261 0.008 . 1 . 1482 . A 7 ASP C . 25402 1 89 . 1 1 17 17 ASP CA C 13 54.434 0.022 . 1 . 383 . A 7 ASP CA . 25402 1 90 . 1 1 17 17 ASP CB C 13 41.204 0.018 . 1 . 580 . A 7 ASP CB . 25402 1 91 . 1 1 17 17 ASP N N 15 119.953 0.056 . 1 . 196 . A 7 ASP N . 25402 1 92 . 1 1 18 18 THR H H 1 8.145 0.007 . 1 . 307 . A 8 THR H . 25402 1 93 . 1 1 18 18 THR HA H 1 4.217 0.003 . 1 . 584 . A 8 THR HA . 25402 1 94 . 1 1 18 18 THR HB H 1 4.314 0.01 . 1 . 582 . A 8 THR HB . 25402 1 95 . 1 1 18 18 THR HG21 H 1 1.205 0.01 . 1 . 583 . A 8 THR HG21 . 25402 1 96 . 1 1 18 18 THR HG22 H 1 1.205 0.01 . 1 . 583 . A 8 THR HG22 . 25402 1 97 . 1 1 18 18 THR HG23 H 1 1.205 0.01 . 1 . 583 . A 8 THR HG23 . 25402 1 98 . 1 1 18 18 THR C C 13 175.501 . . 1 . 1194 . A 8 THR C . 25402 1 99 . 1 1 18 18 THR CA C 13 62.593 0.055 . 1 . 334 . A 8 THR CA . 25402 1 100 . 1 1 18 18 THR CB C 13 69.326 0.021 . 1 . 335 . A 8 THR CB . 25402 1 101 . 1 1 18 18 THR CG2 C 13 21.743 0.038 . 1 . 585 . A 8 THR CG2 . 25402 1 102 . 1 1 18 18 THR N N 15 114.882 0.033 . 1 . 308 . A 8 THR N . 25402 1 103 . 1 1 19 19 ARG H H 1 8.236 0.005 . 1 . 149 . A 9 ARG H . 25402 1 104 . 1 1 19 19 ARG HA H 1 4.240 0.009 . 1 . 586 . A 9 ARG HA . 25402 1 105 . 1 1 19 19 ARG HB2 H 1 1.825 0.005 . 1 . 589 . A 9 ARG HB2 . 25402 1 106 . 1 1 19 19 ARG HB3 H 1 1.825 0.005 . 1 . 590 . A 9 ARG HB3 . 25402 1 107 . 1 1 19 19 ARG HG2 H 1 1.644 0.021 . 1 . 595 . A 9 ARG HG2 . 25402 1 108 . 1 1 19 19 ARG HG3 H 1 1.644 0.021 . 1 . 594 . A 9 ARG HG3 . 25402 1 109 . 1 1 19 19 ARG HD2 H 1 3.174 0.009 . 1 . 591 . A 9 ARG HD2 . 25402 1 110 . 1 1 19 19 ARG HD3 H 1 3.174 0.009 . 1 . 592 . A 9 ARG HD3 . 25402 1 111 . 1 1 19 19 ARG C C 13 176.796 0.008 . 1 . 1193 . A 9 ARG C . 25402 1 112 . 1 1 19 19 ARG CA C 13 56.837 0.024 . 1 . 412 . A 9 ARG CA . 25402 1 113 . 1 1 19 19 ARG CB C 13 30.475 0.074 . 1 . 471 . A 9 ARG CB . 25402 1 114 . 1 1 19 19 ARG CG C 13 27.146 0.022 . 1 . 588 . A 9 ARG CG . 25402 1 115 . 1 1 19 19 ARG CD C 13 43.385 0.05 . 1 . 587 . A 9 ARG CD . 25402 1 116 . 1 1 19 19 ARG N N 15 122.457 0.068 . 1 . 150 . A 9 ARG N . 25402 1 117 . 1 1 20 20 ARG H H 1 8.086 0.005 . 1 . 179 . A 10 ARG H . 25402 1 118 . 1 1 20 20 ARG HA H 1 4.267 0.005 . 1 . 597 . A 10 ARG HA . 25402 1 119 . 1 1 20 20 ARG HB2 H 1 1.820 0.008 . 2 . 599 . A 10 ARG HB2 . 25402 1 120 . 1 1 20 20 ARG HB3 H 1 1.748 0.011 . 2 . 598 . A 10 ARG HB3 . 25402 1 121 . 1 1 20 20 ARG HG2 H 1 1.608 0.013 . 1 . 602 . A 10 ARG HG2 . 25402 1 122 . 1 1 20 20 ARG HG3 H 1 1.608 0.01 . 1 . 601 . A 10 ARG HG3 . 25402 1 123 . 1 1 20 20 ARG HD2 H 1 3.171 0.011 . 1 . 603 . A 10 ARG HD2 . 25402 1 124 . 1 1 20 20 ARG HD3 H 1 3.171 0.011 . 1 . 604 . A 10 ARG HD3 . 25402 1 125 . 1 1 20 20 ARG C C 13 176.221 0.002 . 1 . 1411 . A 10 ARG C . 25402 1 126 . 1 1 20 20 ARG CA C 13 56.163 0.051 . 1 . 388 . A 10 ARG CA . 25402 1 127 . 1 1 20 20 ARG CB C 13 30.612 0.049 . 1 . 470 . A 10 ARG CB . 25402 1 128 . 1 1 20 20 ARG CG C 13 27.189 0.029 . 1 . 600 . A 10 ARG CG . 25402 1 129 . 1 1 20 20 ARG CD C 13 43.420 . . 1 . 596 . A 10 ARG CD . 25402 1 130 . 1 1 20 20 ARG N N 15 120.779 0.032 . 1 . 180 . A 10 ARG N . 25402 1 131 . 1 1 21 21 LEU H H 1 8.125 0.003 . 1 . 11 . A 11 LEU H . 25402 1 132 . 1 1 21 21 LEU HA H 1 4.344 0.01 . 1 . 798 . A 11 LEU HA . 25402 1 133 . 1 1 21 21 LEU HB2 H 1 1.628 0.007 . 2 . 799 . A 11 LEU HB2 . 25402 1 134 . 1 1 21 21 LEU HB3 H 1 1.589 0.031 . 2 . 800 . A 11 LEU HB3 . 25402 1 135 . 1 1 21 21 LEU HG H 1 1.574 0.008 . 1 . 1409 . A 11 LEU HG . 25402 1 136 . 1 1 21 21 LEU HD11 H 1 0.843 0.011 . 2 . 1407 . A 11 LEU HD11 . 25402 1 137 . 1 1 21 21 LEU HD12 H 1 0.843 0.011 . 2 . 1407 . A 11 LEU HD12 . 25402 1 138 . 1 1 21 21 LEU HD13 H 1 0.843 0.011 . 2 . 1407 . A 11 LEU HD13 . 25402 1 139 . 1 1 21 21 LEU HD21 H 1 0.894 0.013 . 2 . 1408 . A 11 LEU HD21 . 25402 1 140 . 1 1 21 21 LEU HD22 H 1 0.894 0.013 . 2 . 1408 . A 11 LEU HD22 . 25402 1 141 . 1 1 21 21 LEU HD23 H 1 0.894 0.013 . 2 . 1408 . A 11 LEU HD23 . 25402 1 142 . 1 1 21 21 LEU C C 13 177.316 0.015 . 1 . 1410 . A 11 LEU C . 25402 1 143 . 1 1 21 21 LEU CA C 13 55.081 0.057 . 1 . 468 . A 11 LEU CA . 25402 1 144 . 1 1 21 21 LEU CB C 13 42.191 0.066 . 1 . 467 . A 11 LEU CB . 25402 1 145 . 1 1 21 21 LEU CG C 13 27.067 0.057 . 1 . 1404 . A 11 LEU CG . 25402 1 146 . 1 1 21 21 LEU CD1 C 13 23.505 0.059 . 2 . 1405 . A 11 LEU CD1 . 25402 1 147 . 1 1 21 21 LEU CD2 C 13 25.060 0.101 . 2 . 1406 . A 11 LEU CD2 . 25402 1 148 . 1 1 21 21 LEU N N 15 122.988 0.056 . 1 . 12 . A 11 LEU N . 25402 1 149 . 1 1 22 22 ILE H H 1 8.125 0.004 . 1 . 21 . A 12 ILE H . 25402 1 150 . 1 1 22 22 ILE HA H 1 4.215 0.005 . 1 . 793 . A 12 ILE HA . 25402 1 151 . 1 1 22 22 ILE HB H 1 1.868 0.005 . 1 . 794 . A 12 ILE HB . 25402 1 152 . 1 1 22 22 ILE HG12 H 1 1.178 0.011 . 2 . 797 . A 12 ILE HG12 . 25402 1 153 . 1 1 22 22 ILE HG13 H 1 1.454 0.005 . 2 . 796 . A 12 ILE HG13 . 25402 1 154 . 1 1 22 22 ILE HG21 H 1 0.871 0.012 . 1 . 1701 . A 12 ILE HG21 . 25402 1 155 . 1 1 22 22 ILE HG22 H 1 0.871 0.012 . 1 . 1701 . A 12 ILE HG22 . 25402 1 156 . 1 1 22 22 ILE HG23 H 1 0.871 0.012 . 1 . 1701 . A 12 ILE HG23 . 25402 1 157 . 1 1 22 22 ILE HD11 H 1 0.841 0.013 . 1 . 1702 . A 12 ILE HD11 . 25402 1 158 . 1 1 22 22 ILE HD12 H 1 0.841 0.013 . 1 . 1702 . A 12 ILE HD12 . 25402 1 159 . 1 1 22 22 ILE HD13 H 1 0.841 0.013 . 1 . 1702 . A 12 ILE HD13 . 25402 1 160 . 1 1 22 22 ILE C C 13 176.570 . . 1 . 1534 . A 12 ILE C . 25402 1 161 . 1 1 22 22 ILE CA C 13 60.982 0.045 . 1 . 406 . A 12 ILE CA . 25402 1 162 . 1 1 22 22 ILE CB C 13 38.596 0.029 . 1 . 466 . A 12 ILE CB . 25402 1 163 . 1 1 22 22 ILE CG1 C 13 27.226 0.044 . 1 . 795 . A 12 ILE CG1 . 25402 1 164 . 1 1 22 22 ILE CG2 C 13 17.570 0.066 . 1 . 834 . A 12 ILE CG2 . 25402 1 165 . 1 1 22 22 ILE CD1 C 13 12.789 0.074 . 1 . 835 . A 12 ILE CD1 . 25402 1 166 . 1 1 22 22 ILE N N 15 122.161 0.099 . 1 . 22 . A 12 ILE N . 25402 1 167 . 1 1 23 23 THR H H 1 8.160 0.013 . 1 . 1531 . A 13 THR H . 25402 1 168 . 1 1 23 23 THR HA H 1 4.326 0.008 . 1 . 854 . A 13 THR HA . 25402 1 169 . 1 1 23 23 THR HB H 1 4.153 0.03 . 1 . 853 . A 13 THR HB . 25402 1 170 . 1 1 23 23 THR HG21 H 1 1.169 0.01 . 1 . 855 . A 13 THR HG21 . 25402 1 171 . 1 1 23 23 THR HG22 H 1 1.169 0.01 . 1 . 855 . A 13 THR HG22 . 25402 1 172 . 1 1 23 23 THR HG23 H 1 1.169 0.01 . 1 . 855 . A 13 THR HG23 . 25402 1 173 . 1 1 23 23 THR C C 13 174.236 0.012 . 1 . 1533 . A 13 THR C . 25402 1 174 . 1 1 23 23 THR CA C 13 61.650 0.026 . 1 . 893 . A 13 THR CA . 25402 1 175 . 1 1 23 23 THR CB C 13 69.848 0.016 . 1 . 852 . A 13 THR CB . 25402 1 176 . 1 1 23 23 THR CG2 C 13 21.644 0.057 . 1 . 1243 . A 13 THR CG2 . 25402 1 177 . 1 1 23 23 THR N N 15 118.751 0.038 . 1 . 1532 . A 13 THR N . 25402 1 178 . 1 1 24 24 LYS H H 1 8.264 0.005 . 1 . 123 . A 14 LYS H . 25402 1 179 . 1 1 24 24 LYS HA H 1 4.596 0.01 . 1 . 777 . A 14 LYS HA . 25402 1 180 . 1 1 24 24 LYS HB2 H 1 1.700 0.007 . 2 . 779 . A 14 LYS HB2 . 25402 1 181 . 1 1 24 24 LYS HB3 H 1 1.798 0.004 . 2 . 778 . A 14 LYS HB3 . 25402 1 182 . 1 1 24 24 LYS HG2 H 1 1.439 0.01 . 1 . 781 . A 14 LYS HG2 . 25402 1 183 . 1 1 24 24 LYS HG3 H 1 1.439 0.01 . 1 . 1900 . A 14 LYS HG3 . 25402 1 184 . 1 1 24 24 LYS HD2 H 1 1.677 0.012 . 1 . 784 . A 14 LYS HD2 . 25402 1 185 . 1 1 24 24 LYS HD3 H 1 1.677 0.012 . 1 . 1997 . A 14 LYS HD3 . 25402 1 186 . 1 1 24 24 LYS HE2 H 1 2.968 0.003 . 2 . 782 . A 14 LYS HE2 . 25402 1 187 . 1 1 24 24 LYS HE3 H 1 2.748 0.0 . 2 . 1898 . A 14 LYS HE3 . 25402 1 188 . 1 1 24 24 LYS C C 13 174.531 . . 1 . 1536 . A 14 LYS C . 25402 1 189 . 1 1 24 24 LYS CA C 13 54.208 0.024 . 1 . 431 . A 14 LYS CA . 25402 1 190 . 1 1 24 24 LYS CB C 13 32.612 0.032 . 1 . 776 . A 14 LYS CB . 25402 1 191 . 1 1 24 24 LYS CG C 13 24.578 0.034 . 1 . 1899 . A 14 LYS CG . 25402 1 192 . 1 1 24 24 LYS CD C 13 29.337 . . 1 . 783 . A 14 LYS CD . 25402 1 193 . 1 1 24 24 LYS CE C 13 42.171 0.031 . 1 . 780 . A 14 LYS CE . 25402 1 194 . 1 1 24 24 LYS N N 15 125.084 0.009 . 1 . 124 . A 14 LYS N . 25402 1 195 . 1 1 25 25 PRO HA H 1 4.389 0.009 . 1 . 1671 . A 15 PRO HA . 25402 1 196 . 1 1 25 25 PRO HB2 H 1 1.892 0.01 . 2 . 1681 . A 15 PRO HB2 . 25402 1 197 . 1 1 25 25 PRO HB3 H 1 2.289 0.007 . 2 . 1682 . A 15 PRO HB3 . 25402 1 198 . 1 1 25 25 PRO HG2 H 1 2.023 0.02 . 2 . 1685 . A 15 PRO HG2 . 25402 1 199 . 1 1 25 25 PRO HG3 H 1 1.994 0.017 . 2 . 1684 . A 15 PRO HG3 . 25402 1 200 . 1 1 25 25 PRO HD2 H 1 3.623 0.008 . 2 . 1679 . A 15 PRO HD2 . 25402 1 201 . 1 1 25 25 PRO HD3 H 1 3.812 0.008 . 2 . 1680 . A 15 PRO HD3 . 25402 1 202 . 1 1 25 25 PRO C C 13 177.149 . . 1 . 1676 . A 15 PRO C . 25402 1 203 . 1 1 25 25 PRO CA C 13 63.228 0.08 . 1 . 1672 . A 15 PRO CA . 25402 1 204 . 1 1 25 25 PRO CB C 13 32.070 0.033 . 1 . 1673 . A 15 PRO CB . 25402 1 205 . 1 1 25 25 PRO CG C 13 27.489 0.155 . 1 . 1678 . A 15 PRO CG . 25402 1 206 . 1 1 25 25 PRO CD C 13 50.646 0.065 . 1 . 1677 . A 15 PRO CD . 25402 1 207 . 1 1 26 26 GLN H H 1 8.537 0.006 . 1 . 183 . A 16 GLN H . 25402 1 208 . 1 1 26 26 GLN HA H 1 4.255 0.004 . 1 . 785 . A 16 GLN HA . 25402 1 209 . 1 1 26 26 GLN HB2 H 1 2.051 0.007 . 2 . 787 . A 16 GLN HB2 . 25402 1 210 . 1 1 26 26 GLN HB3 H 1 1.939 0.022 . 2 . 788 . A 16 GLN HB3 . 25402 1 211 . 1 1 26 26 GLN HG2 H 1 2.347 0.004 . 1 . 790 . A 16 GLN HG2 . 25402 1 212 . 1 1 26 26 GLN HG3 H 1 2.347 0.006 . 1 . 789 . A 16 GLN HG3 . 25402 1 213 . 1 1 26 26 GLN HE21 H 1 6.860 0.009 . 1 . 67 . A 16 GLN HE21 . 25402 1 214 . 1 1 26 26 GLN HE22 H 1 7.544 0.005 . 1 . 65 . A 16 GLN HE22 . 25402 1 215 . 1 1 26 26 GLN C C 13 175.871 0.003 . 1 . 1530 . A 16 GLN C . 25402 1 216 . 1 1 26 26 GLN CA C 13 56.036 0.055 . 1 . 390 . A 16 GLN CA . 25402 1 217 . 1 1 26 26 GLN CB C 13 29.678 0.058 . 1 . 391 . A 16 GLN CB . 25402 1 218 . 1 1 26 26 GLN CG C 13 33.861 0.064 . 1 . 786 . A 16 GLN CG . 25402 1 219 . 1 1 26 26 GLN CD C 13 180.714 0.035 . 1 . 1551 . A 16 GLN CD . 25402 1 220 . 1 1 26 26 GLN N N 15 120.623 0.048 . 1 . 184 . A 16 GLN N . 25402 1 221 . 1 1 26 26 GLN NE2 N 15 112.605 0.021 . 1 . 66 . A 16 GLN NE2 . 25402 1 222 . 1 1 27 27 ASN H H 1 8.436 0.062 . 1 . 520 . A 17 ASN H . 25402 1 223 . 1 1 27 27 ASN HA H 1 4.697 0.011 . 1 . 1091 . A 17 ASN HA . 25402 1 224 . 1 1 27 27 ASN HB2 H 1 2.742 0.012 . 2 . 1093 . A 17 ASN HB2 . 25402 1 225 . 1 1 27 27 ASN HB3 H 1 2.843 0.014 . 2 . 1092 . A 17 ASN HB3 . 25402 1 226 . 1 1 27 27 ASN HD21 H 1 6.898 0.003 . 1 . 62 . A 17 ASN HD21 . 25402 1 227 . 1 1 27 27 ASN HD22 H 1 7.613 0.007 . 1 . 60 . A 17 ASN HD22 . 25402 1 228 . 1 1 27 27 ASN C C 13 175.384 0.004 . 1 . 1412 . A 17 ASN C . 25402 1 229 . 1 1 27 27 ASN CA C 13 53.025 0.108 . 1 . 1090 . A 17 ASN CA . 25402 1 230 . 1 1 27 27 ASN CB C 13 38.792 0.069 . 1 . 894 . A 17 ASN CB . 25402 1 231 . 1 1 27 27 ASN CG C 13 177.335 . . 1 . 1544 . A 17 ASN CG . 25402 1 232 . 1 1 27 27 ASN N N 15 119.647 0.463 . 1 . 519 . A 17 ASN N . 25402 1 233 . 1 1 27 27 ASN ND2 N 15 112.883 0.025 . 1 . 61 . A 17 ASN ND2 . 25402 1 234 . 1 1 28 28 LEU H H 1 8.290 0.007 . 1 . 139 . A 18 LEU H . 25402 1 235 . 1 1 28 28 LEU HA H 1 4.283 0.009 . 1 . 1856 . A 18 LEU HA . 25402 1 236 . 1 1 28 28 LEU HB2 H 1 1.599 0.011 . 1 . 1859 . A 18 LEU HB2 . 25402 1 237 . 1 1 28 28 LEU HB3 H 1 1.599 0.011 . 1 . 1858 . A 18 LEU HB3 . 25402 1 238 . 1 1 28 28 LEU HG H 1 1.576 0.01 . 1 . 1863 . A 18 LEU HG . 25402 1 239 . 1 1 28 28 LEU HD11 H 1 0.843 0.016 . 2 . 1857 . A 18 LEU HD11 . 25402 1 240 . 1 1 28 28 LEU HD12 H 1 0.843 0.016 . 2 . 1857 . A 18 LEU HD12 . 25402 1 241 . 1 1 28 28 LEU HD13 H 1 0.843 0.016 . 2 . 1857 . A 18 LEU HD13 . 25402 1 242 . 1 1 28 28 LEU HD21 H 1 0.885 0.016 . 2 . 1864 . A 18 LEU HD21 . 25402 1 243 . 1 1 28 28 LEU HD22 H 1 0.885 0.016 . 2 . 1864 . A 18 LEU HD22 . 25402 1 244 . 1 1 28 28 LEU HD23 H 1 0.885 0.016 . 2 . 1864 . A 18 LEU HD23 . 25402 1 245 . 1 1 28 28 LEU C C 13 177.486 0.001 . 1 . 1447 . A 18 LEU C . 25402 1 246 . 1 1 28 28 LEU CA C 13 55.601 0.048 . 1 . 1448 . A 18 LEU CA . 25402 1 247 . 1 1 28 28 LEU CB C 13 42.190 0.01 . 1 . 1449 . A 18 LEU CB . 25402 1 248 . 1 1 28 28 LEU CG C 13 27.057 . . 1 . 1862 . A 18 LEU CG . 25402 1 249 . 1 1 28 28 LEU CD1 C 13 23.516 0.066 . 2 . 1860 . A 18 LEU CD1 . 25402 1 250 . 1 1 28 28 LEU CD2 C 13 24.936 0.025 . 2 . 1861 . A 18 LEU CD2 . 25402 1 251 . 1 1 28 28 LEU N N 15 122.820 0.066 . 1 . 140 . A 18 LEU N . 25402 1 252 . 1 1 29 29 ASN H H 1 8.372 0.007 . 1 . 365 . A 19 ASN H . 25402 1 253 . 1 1 29 29 ASN HA H 1 4.636 0.009 . 1 . 606 . A 19 ASN HA . 25402 1 254 . 1 1 29 29 ASN HB2 H 1 2.822 0.006 . 2 . 607 . A 19 ASN HB2 . 25402 1 255 . 1 1 29 29 ASN HB3 H 1 2.721 0.006 . 2 . 608 . A 19 ASN HB3 . 25402 1 256 . 1 1 29 29 ASN HD21 H 1 7.587 0.005 . 1 . 55 . A 19 ASN HD21 . 25402 1 257 . 1 1 29 29 ASN HD22 H 1 6.893 0.004 . 1 . 1542 . A 19 ASN HD22 . 25402 1 258 . 1 1 29 29 ASN C C 13 175.279 0.012 . 1 . 1529 . A 19 ASN C . 25402 1 259 . 1 1 29 29 ASN CA C 13 53.601 0.051 . 1 . 459 . A 19 ASN CA . 25402 1 260 . 1 1 29 29 ASN CB C 13 38.850 0.021 . 1 . 605 . A 19 ASN CB . 25402 1 261 . 1 1 29 29 ASN CG C 13 177.287 . . 1 . 1543 . A 19 ASN CG . 25402 1 262 . 1 1 29 29 ASN N N 15 118.465 0.021 . 1 . 366 . A 19 ASN N . 25402 1 263 . 1 1 29 29 ASN ND2 N 15 112.942 0.028 . 1 . 1545 . A 19 ASN ND2 . 25402 1 264 . 1 1 30 30 ASP H H 1 8.125 0.006 . 1 . 185 . A 20 ASP H . 25402 1 265 . 1 1 30 30 ASP HA H 1 4.524 0.004 . 1 . 1698 . A 20 ASP HA . 25402 1 266 . 1 1 30 30 ASP HB2 H 1 2.624 0.003 . 1 . 1699 . A 20 ASP HB2 . 25402 1 267 . 1 1 30 30 ASP HB3 H 1 2.624 0.003 . 1 . 1700 . A 20 ASP HB3 . 25402 1 268 . 1 1 30 30 ASP C C 13 176.259 0.012 . 1 . 1528 . A 20 ASP C . 25402 1 269 . 1 1 30 30 ASP CA C 13 54.544 0.083 . 1 . 1697 . A 20 ASP CA . 25402 1 270 . 1 1 30 30 ASP CB C 13 41.092 0.018 . 1 . 1696 . A 20 ASP CB . 25402 1 271 . 1 1 30 30 ASP N N 15 120.670 0.023 . 1 . 186 . A 20 ASP N . 25402 1 272 . 1 1 31 31 ALA H H 1 8.045 0.003 . 1 . 9 . A 21 ALA H . 25402 1 273 . 1 1 31 31 ALA HA H 1 4.192 0.001 . 1 . 1561 . A 21 ALA HA . 25402 1 274 . 1 1 31 31 ALA HB1 H 1 1.209 0.004 . 1 . 1559 . A 21 ALA HB1 . 25402 1 275 . 1 1 31 31 ALA HB2 H 1 1.209 0.004 . 1 . 1559 . A 21 ALA HB2 . 25402 1 276 . 1 1 31 31 ALA HB3 H 1 1.209 0.004 . 1 . 1559 . A 21 ALA HB3 . 25402 1 277 . 1 1 31 31 ALA C C 13 177.695 0.009 . 1 . 1527 . A 21 ALA C . 25402 1 278 . 1 1 31 31 ALA CA C 13 52.777 0.007 . 1 . 1560 . A 21 ALA CA . 25402 1 279 . 1 1 31 31 ALA CB C 13 19.155 0.049 . 1 . 421 . A 21 ALA CB . 25402 1 280 . 1 1 31 31 ALA N N 15 123.501 0.03 . 1 . 10 . A 21 ALA N . 25402 1 281 . 1 1 32 32 TYR H H 1 8.071 0.004 . 1 . 41 . A 22 TYR H . 25402 1 282 . 1 1 32 32 TYR HA H 1 4.566 0.006 . 1 . 611 . A 22 TYR HA . 25402 1 283 . 1 1 32 32 TYR HB2 H 1 3.113 0.005 . 2 . 610 . A 22 TYR HB2 . 25402 1 284 . 1 1 32 32 TYR HB3 H 1 2.917 0.005 . 2 . 609 . A 22 TYR HB3 . 25402 1 285 . 1 1 32 32 TYR HD1 H 1 7.110 0.02 . 3 . 822 . A 22 TYR HD1 . 25402 1 286 . 1 1 32 32 TYR HD2 H 1 7.110 0.02 . 3 . 822 . A 22 TYR HD2 . 25402 1 287 . 1 1 32 32 TYR HE1 H 1 6.791 0.012 . 3 . 824 . A 22 TYR HE1 . 25402 1 288 . 1 1 32 32 TYR HE2 H 1 6.791 0.012 . 3 . 824 . A 22 TYR HE2 . 25402 1 289 . 1 1 32 32 TYR C C 13 176.212 0.002 . 1 . 1525 . A 22 TYR C . 25402 1 290 . 1 1 32 32 TYR CA C 13 57.698 0.032 . 1 . 362 . A 22 TYR CA . 25402 1 291 . 1 1 32 32 TYR CB C 13 38.809 0.031 . 1 . 919 . A 22 TYR CB . 25402 1 292 . 1 1 32 32 TYR CD1 C 13 133.435 0.028 . 3 . 823 . A 22 TYR CD1 . 25402 1 293 . 1 1 32 32 TYR CD2 C 13 133.435 0.028 . 3 . 823 . A 22 TYR CD2 . 25402 1 294 . 1 1 32 32 TYR CE1 C 13 118.444 0.065 . 3 . 825 . A 22 TYR CE1 . 25402 1 295 . 1 1 32 32 TYR CE2 C 13 118.444 0.065 . 3 . 825 . A 22 TYR CE2 . 25402 1 296 . 1 1 32 32 TYR N N 15 118.518 0.005 . 1 . 42 . A 22 TYR N . 25402 1 297 . 1 1 33 33 GLY H H 1 7.951 0.005 . 1 . 86 . A 23 GLY H . 25402 1 298 . 1 1 33 33 GLY HA2 H 1 4.080 0.005 . 2 . 804 . A 23 GLY HA2 . 25402 1 299 . 1 1 33 33 GLY HA3 H 1 3.972 0.007 . 2 . 803 . A 23 GLY HA3 . 25402 1 300 . 1 1 33 33 GLY C C 13 171.126 . . 1 . 1526 . A 23 GLY C . 25402 1 301 . 1 1 33 33 GLY CA C 13 44.444 0.051 . 1 . 316 . A 23 GLY CA . 25402 1 302 . 1 1 33 33 GLY N N 15 110.269 0.033 . 1 . 87 . A 23 GLY N . 25402 1 303 . 1 1 34 34 PRO HA H 1 4.676 0.008 . 1 . 997 . A 24 PRO HA . 25402 1 304 . 1 1 34 34 PRO HB2 H 1 1.895 0.008 . 2 . 1001 . A 24 PRO HB2 . 25402 1 305 . 1 1 34 34 PRO HB3 H 1 2.283 0.006 . 2 . 1000 . A 24 PRO HB3 . 25402 1 306 . 1 1 34 34 PRO HG2 H 1 1.994 0.01 . 1 . 1901 . A 24 PRO HG2 . 25402 1 307 . 1 1 34 34 PRO HG3 H 1 1.996 0.009 . 1 . 805 . A 24 PRO HG3 . 25402 1 308 . 1 1 34 34 PRO HD2 H 1 3.569 0.008 . 1 . 1002 . A 24 PRO HD2 . 25402 1 309 . 1 1 34 34 PRO HD3 H 1 3.567 0.003 . 1 . 1902 . A 24 PRO HD3 . 25402 1 310 . 1 1 34 34 PRO CA C 13 61.493 0.094 . 1 . 995 . A 24 PRO CA . 25402 1 311 . 1 1 34 34 PRO CB C 13 30.895 0.075 . 1 . 998 . A 24 PRO CB . 25402 1 312 . 1 1 34 34 PRO CG C 13 27.163 0.079 . 1 . 999 . A 24 PRO CG . 25402 1 313 . 1 1 34 34 PRO CD C 13 49.736 0.017 . 1 . 996 . A 24 PRO CD . 25402 1 314 . 1 1 35 35 PRO HA H 1 4.498 0.009 . 1 . 1669 . A 25 PRO HA . 25402 1 315 . 1 1 35 35 PRO HB2 H 1 2.314 0.008 . 2 . 1055 . A 25 PRO HB2 . 25402 1 316 . 1 1 35 35 PRO HB3 H 1 1.979 0.007 . 2 . 1059 . A 25 PRO HB3 . 25402 1 317 . 1 1 35 35 PRO HG2 H 1 2.046 0.011 . 1 . 1683 . A 25 PRO HG2 . 25402 1 318 . 1 1 35 35 PRO HG3 H 1 2.048 0.01 . 1 . 1056 . A 25 PRO HG3 . 25402 1 319 . 1 1 35 35 PRO HD2 H 1 3.809 0.007 . 2 . 1053 . A 25 PRO HD2 . 25402 1 320 . 1 1 35 35 PRO HD3 H 1 3.636 0.009 . 2 . 1054 . A 25 PRO HD3 . 25402 1 321 . 1 1 35 35 PRO C C 13 177.210 . . 1 . 1675 . A 25 PRO C . 25402 1 322 . 1 1 35 35 PRO CA C 13 63.117 0.093 . 1 . 1670 . A 25 PRO CA . 25402 1 323 . 1 1 35 35 PRO CB C 13 32.027 0.04 . 1 . 1674 . A 25 PRO CB . 25402 1 324 . 1 1 35 35 PRO CG C 13 27.481 0.152 . 1 . 1057 . A 25 PRO CG . 25402 1 325 . 1 1 35 35 PRO CD C 13 50.522 0.116 . 1 . 1058 . A 25 PRO CD . 25402 1 326 . 1 1 36 36 SER H H 1 8.336 0.004 . 1 . 340 . A 26 SER H . 25402 1 327 . 1 1 36 36 SER HA H 1 4.429 0.016 . 1 . 994 . A 26 SER HA . 25402 1 328 . 1 1 36 36 SER HB2 H 1 3.877 0.005 . 2 . 612 . A 26 SER HB2 . 25402 1 329 . 1 1 36 36 SER HB3 H 1 3.877 0.004 . 2 . 993 . A 26 SER HB3 . 25402 1 330 . 1 1 36 36 SER C C 13 174.834 . . 1 . 1210 . A 26 SER C . 25402 1 331 . 1 1 36 36 SER CA C 13 58.404 0.06 . 1 . 342 . A 26 SER CA . 25402 1 332 . 1 1 36 36 SER CB C 13 63.768 0.046 . 1 . 475 . A 26 SER CB . 25402 1 333 . 1 1 36 36 SER N N 15 115.685 0.081 . 1 . 341 . A 26 SER N . 25402 1 334 . 1 1 37 37 ASN H H 1 8.450 0.007 . 1 . 310 . A 27 ASN H . 25402 1 335 . 1 1 37 37 ASN HA H 1 5.225 0.008 . 1 . 990 . A 27 ASN HA . 25402 1 336 . 1 1 37 37 ASN HB2 H 1 2.613 0.021 . 2 . 992 . A 27 ASN HB2 . 25402 1 337 . 1 1 37 37 ASN HB3 H 1 2.692 0.02 . 2 . 991 . A 27 ASN HB3 . 25402 1 338 . 1 1 37 37 ASN HD21 H 1 6.965 0.005 . 1 . 81 . A 27 ASN HD21 . 25402 1 339 . 1 1 37 37 ASN HD22 H 1 7.346 0.002 . 1 . 78 . A 27 ASN HD22 . 25402 1 340 . 1 1 37 37 ASN C C 13 174.895 . . 1 . 1537 . A 27 ASN C . 25402 1 341 . 1 1 37 37 ASN CA C 13 52.941 0.077 . 1 . 473 . A 27 ASN CA . 25402 1 342 . 1 1 37 37 ASN CB C 13 40.048 0.063 . 1 . 474 . A 27 ASN CB . 25402 1 343 . 1 1 37 37 ASN CG C 13 176.719 0.004 . 1 . 1547 . A 27 ASN CG . 25402 1 344 . 1 1 37 37 ASN N N 15 121.478 0.053 . 1 . 311 . A 27 ASN N . 25402 1 345 . 1 1 37 37 ASN ND2 N 15 111.421 0.059 . 1 . 82 . A 27 ASN ND2 . 25402 1 346 . 1 1 38 38 PHE H H 1 8.623 0.008 . 1 . 209 . A 28 PHE H . 25402 1 347 . 1 1 38 38 PHE HA H 1 4.989 0.007 . 1 . 988 . A 28 PHE HA . 25402 1 348 . 1 1 38 38 PHE HB2 H 1 3.029 0.009 . 2 . 989 . A 28 PHE HB2 . 25402 1 349 . 1 1 38 38 PHE HB3 H 1 2.919 0.008 . 2 . 987 . A 28 PHE HB3 . 25402 1 350 . 1 1 38 38 PHE HD1 H 1 7.020 0.019 . 3 . 930 . A 28 PHE HD1 . 25402 1 351 . 1 1 38 38 PHE HD2 H 1 7.020 0.019 . 3 . 930 . A 28 PHE HD2 . 25402 1 352 . 1 1 38 38 PHE HE1 H 1 7.079 0.019 . 3 . 1904 . A 28 PHE HE1 . 25402 1 353 . 1 1 38 38 PHE HE2 H 1 7.079 0.019 . 3 . 1904 . A 28 PHE HE2 . 25402 1 354 . 1 1 38 38 PHE HZ H 1 7.158 0.02 . 1 . 1905 . A 28 PHE HZ . 25402 1 355 . 1 1 38 38 PHE C C 13 173.417 0.026 . 1 . 1213 . A 28 PHE C . 25402 1 356 . 1 1 38 38 PHE CA C 13 56.314 0.046 . 1 . 374 . A 28 PHE CA . 25402 1 357 . 1 1 38 38 PHE CB C 13 42.283 0.052 . 1 . 375 . A 28 PHE CB . 25402 1 358 . 1 1 38 38 PHE CD1 C 13 132.729 0.051 . 3 . 929 . A 28 PHE CD1 . 25402 1 359 . 1 1 38 38 PHE CD2 C 13 132.729 0.051 . 3 . 929 . A 28 PHE CD2 . 25402 1 360 . 1 1 38 38 PHE CE1 C 13 131.200 0.062 . 3 . 1944 . A 28 PHE CE1 . 25402 1 361 . 1 1 38 38 PHE CE2 C 13 131.200 0.062 . 3 . 1944 . A 28 PHE CE2 . 25402 1 362 . 1 1 38 38 PHE CZ C 13 129.681 0.112 . 1 . 2417 . A 28 PHE CZ . 25402 1 363 . 1 1 38 38 PHE N N 15 119.041 0.045 . 1 . 210 . A 28 PHE N . 25402 1 364 . 1 1 39 39 LEU H H 1 8.706 0.009 . 1 . 104 . A 29 LEU H . 25402 1 365 . 1 1 39 39 LEU HA H 1 4.356 0.009 . 1 . 1434 . A 29 LEU HA . 25402 1 366 . 1 1 39 39 LEU HB2 H 1 1.303 0.008 . 2 . 1435 . A 29 LEU HB2 . 25402 1 367 . 1 1 39 39 LEU HB3 H 1 1.749 0.004 . 2 . 1436 . A 29 LEU HB3 . 25402 1 368 . 1 1 39 39 LEU HG H 1 1.301 0.008 . 1 . 1442 . A 29 LEU HG . 25402 1 369 . 1 1 39 39 LEU HD11 H 1 0.697 0.007 . 2 . 1439 . A 29 LEU HD11 . 25402 1 370 . 1 1 39 39 LEU HD12 H 1 0.697 0.007 . 2 . 1439 . A 29 LEU HD12 . 25402 1 371 . 1 1 39 39 LEU HD13 H 1 0.697 0.007 . 2 . 1439 . A 29 LEU HD13 . 25402 1 372 . 1 1 39 39 LEU HD21 H 1 0.359 0.006 . 2 . 1438 . A 29 LEU HD21 . 25402 1 373 . 1 1 39 39 LEU HD22 H 1 0.359 0.006 . 2 . 1438 . A 29 LEU HD22 . 25402 1 374 . 1 1 39 39 LEU HD23 H 1 0.359 0.006 . 2 . 1438 . A 29 LEU HD23 . 25402 1 375 . 1 1 39 39 LEU C C 13 173.235 0.018 . 1 . 1214 . A 29 LEU C . 25402 1 376 . 1 1 39 39 LEU CA C 13 55.642 0.05 . 1 . 986 . A 29 LEU CA . 25402 1 377 . 1 1 39 39 LEU CB C 13 43.287 0.051 . 1 . 985 . A 29 LEU CB . 25402 1 378 . 1 1 39 39 LEU CG C 13 27.553 0.125 . 1 . 1441 . A 29 LEU CG . 25402 1 379 . 1 1 39 39 LEU CD1 C 13 26.304 0.018 . 2 . 1440 . A 29 LEU CD1 . 25402 1 380 . 1 1 39 39 LEU CD2 C 13 22.960 0.047 . 2 . 1437 . A 29 LEU CD2 . 25402 1 381 . 1 1 39 39 LEU N N 15 125.999 0.087 . 1 . 105 . A 29 LEU N . 25402 1 382 . 1 1 40 40 GLU H H 1 9.248 0.006 . 1 . 92 . A 30 GLU H . 25402 1 383 . 1 1 40 40 GLU HA H 1 4.707 0.006 . 1 . 980 . A 30 GLU HA . 25402 1 384 . 1 1 40 40 GLU HB2 H 1 2.021 0.009 . 2 . 981 . A 30 GLU HB2 . 25402 1 385 . 1 1 40 40 GLU HB3 H 1 2.026 0.01 . 2 . 982 . A 30 GLU HB3 . 25402 1 386 . 1 1 40 40 GLU HG2 H 1 2.246 0.013 . 1 . 984 . A 30 GLU HG2 . 25402 1 387 . 1 1 40 40 GLU HG3 H 1 2.246 0.013 . 1 . 983 . A 30 GLU HG3 . 25402 1 388 . 1 1 40 40 GLU C C 13 175.022 . . 1 . 1508 . A 30 GLU C . 25402 1 389 . 1 1 40 40 GLU CA C 13 55.275 0.133 . 1 . 613 . A 30 GLU CA . 25402 1 390 . 1 1 40 40 GLU CB C 13 32.423 0.039 . 1 . 472 . A 30 GLU CB . 25402 1 391 . 1 1 40 40 GLU CG C 13 35.967 0.017 . 1 . 979 . A 30 GLU CG . 25402 1 392 . 1 1 40 40 GLU N N 15 128.712 0.093 . 1 . 93 . A 30 GLU N . 25402 1 393 . 1 1 41 41 ILE H H 1 8.283 0.005 . 1 . 131 . A 31 ILE H . 25402 1 394 . 1 1 41 41 ILE HA H 1 5.249 0.01 . 1 . 972 . A 31 ILE HA . 25402 1 395 . 1 1 41 41 ILE HB H 1 1.611 0.008 . 1 . 971 . A 31 ILE HB . 25402 1 396 . 1 1 41 41 ILE HG12 H 1 1.394 0.006 . 2 . 977 . A 31 ILE HG12 . 25402 1 397 . 1 1 41 41 ILE HG13 H 1 0.817 0.007 . 2 . 978 . A 31 ILE HG13 . 25402 1 398 . 1 1 41 41 ILE HG21 H 1 0.687 0.008 . 1 . 974 . A 31 ILE HG21 . 25402 1 399 . 1 1 41 41 ILE HG22 H 1 0.687 0.008 . 1 . 974 . A 31 ILE HG22 . 25402 1 400 . 1 1 41 41 ILE HG23 H 1 0.687 0.008 . 1 . 974 . A 31 ILE HG23 . 25402 1 401 . 1 1 41 41 ILE HD11 H 1 0.594 0.004 . 1 . 1120 . A 31 ILE HD11 . 25402 1 402 . 1 1 41 41 ILE HD12 H 1 0.594 0.004 . 1 . 1120 . A 31 ILE HD12 . 25402 1 403 . 1 1 41 41 ILE HD13 H 1 0.594 0.004 . 1 . 1120 . A 31 ILE HD13 . 25402 1 404 . 1 1 41 41 ILE C C 13 175.180 . . 1 . 1539 . A 31 ILE C . 25402 1 405 . 1 1 41 41 ILE CA C 13 59.903 0.053 . 1 . 970 . A 31 ILE CA . 25402 1 406 . 1 1 41 41 ILE CB C 13 40.081 0.044 . 1 . 969 . A 31 ILE CB . 25402 1 407 . 1 1 41 41 ILE CG1 C 13 27.339 0.035 . 1 . 976 . A 31 ILE CG1 . 25402 1 408 . 1 1 41 41 ILE CG2 C 13 18.857 0.042 . 1 . 973 . A 31 ILE CG2 . 25402 1 409 . 1 1 41 41 ILE CD1 C 13 15.455 0.044 . 1 . 975 . A 31 ILE CD1 . 25402 1 410 . 1 1 41 41 ILE N N 15 123.842 0.09 . 1 . 132 . A 31 ILE N . 25402 1 411 . 1 1 42 42 ASP H H 1 9.113 0.014 . 1 . 94 . A 32 ASP H . 25402 1 412 . 1 1 42 42 ASP HA H 1 5.211 0.011 . 1 . 615 . A 32 ASP HA . 25402 1 413 . 1 1 42 42 ASP HB2 H 1 2.601 0.006 . 1 . 552 . A 32 ASP HB2 . 25402 1 414 . 1 1 42 42 ASP HB3 H 1 2.601 0.006 . 1 . 616 . A 32 ASP HB3 . 25402 1 415 . 1 1 42 42 ASP C C 13 175.111 0.01 . 1 . 1538 . A 32 ASP C . 25402 1 416 . 1 1 42 42 ASP CA C 13 52.432 0.073 . 1 . 439 . A 32 ASP CA . 25402 1 417 . 1 1 42 42 ASP CB C 13 44.668 0.078 . 1 . 968 . A 32 ASP CB . 25402 1 418 . 1 1 42 42 ASP N N 15 127.720 0.086 . 1 . 95 . A 32 ASP N . 25402 1 419 . 1 1 43 43 VAL H H 1 9.247 0.009 . 1 . 114 . A 33 VAL H . 25402 1 420 . 1 1 43 43 VAL HA H 1 5.217 0.01 . 1 . 963 . A 33 VAL HA . 25402 1 421 . 1 1 43 43 VAL HB H 1 2.102 0.012 . 1 . 964 . A 33 VAL HB . 25402 1 422 . 1 1 43 43 VAL HG11 H 1 0.943 0.01 . 2 . 965 . A 33 VAL HG11 . 25402 1 423 . 1 1 43 43 VAL HG12 H 1 0.943 0.01 . 2 . 965 . A 33 VAL HG12 . 25402 1 424 . 1 1 43 43 VAL HG13 H 1 0.943 0.01 . 2 . 965 . A 33 VAL HG13 . 25402 1 425 . 1 1 43 43 VAL HG21 H 1 0.946 0.009 . 2 . 966 . A 33 VAL HG21 . 25402 1 426 . 1 1 43 43 VAL HG22 H 1 0.946 0.009 . 2 . 966 . A 33 VAL HG22 . 25402 1 427 . 1 1 43 43 VAL HG23 H 1 0.946 0.009 . 2 . 966 . A 33 VAL HG23 . 25402 1 428 . 1 1 43 43 VAL C C 13 175.193 0.035 . 1 . 1514 . A 33 VAL C . 25402 1 429 . 1 1 43 43 VAL CA C 13 61.288 0.109 . 1 . 425 . A 33 VAL CA . 25402 1 430 . 1 1 43 43 VAL CB C 13 33.177 0.074 . 1 . 426 . A 33 VAL CB . 25402 1 431 . 1 1 43 43 VAL CG1 C 13 22.414 0.04 . 2 . 967 . A 33 VAL CG1 . 25402 1 432 . 1 1 43 43 VAL CG2 C 13 21.332 0.065 . 2 . 2498 . A 33 VAL CG2 . 25402 1 433 . 1 1 43 43 VAL N N 15 123.878 0.083 . 1 . 115 . A 33 VAL N . 25402 1 434 . 1 1 44 44 SER H H 1 9.417 0.009 . 1 . 301 . A 34 SER H . 25402 1 435 . 1 1 44 44 SER HA H 1 4.952 0.01 . 1 . 960 . A 34 SER HA . 25402 1 436 . 1 1 44 44 SER HB2 H 1 3.858 0.011 . 2 . 961 . A 34 SER HB2 . 25402 1 437 . 1 1 44 44 SER HB3 H 1 3.803 0.012 . 2 . 962 . A 34 SER HB3 . 25402 1 438 . 1 1 44 44 SER C C 13 173.071 0.023 . 1 . 1515 . A 34 SER C . 25402 1 439 . 1 1 44 44 SER CA C 13 57.292 0.039 . 1 . 381 . A 34 SER CA . 25402 1 440 . 1 1 44 44 SER CB C 13 67.007 0.063 . 1 . 617 . A 34 SER CB . 25402 1 441 . 1 1 44 44 SER N N 15 119.727 0.046 . 1 . 302 . A 34 SER N . 25402 1 442 . 1 1 45 45 ASN H H 1 8.967 0.005 . 1 . 288 . A 35 ASN H . 25402 1 443 . 1 1 45 45 ASN HA H 1 4.625 0.04 . 1 . 958 . A 35 ASN HA . 25402 1 444 . 1 1 45 45 ASN HB2 H 1 2.952 0.008 . 2 . 959 . A 35 ASN HB2 . 25402 1 445 . 1 1 45 45 ASN HB3 H 1 2.636 0.008 . 2 . 957 . A 35 ASN HB3 . 25402 1 446 . 1 1 45 45 ASN HD21 H 1 6.775 0.005 . 1 . 68 . A 35 ASN HD21 . 25402 1 447 . 1 1 45 45 ASN HD22 H 1 7.645 0.007 . 1 . 933 . A 35 ASN HD22 . 25402 1 448 . 1 1 45 45 ASN C C 13 171.480 . . 1 . 1540 . A 35 ASN C . 25402 1 449 . 1 1 45 45 ASN CA C 13 53.548 0.069 . 1 . 769 . A 35 ASN CA . 25402 1 450 . 1 1 45 45 ASN CB C 13 38.650 0.037 . 1 . 932 . A 35 ASN CB . 25402 1 451 . 1 1 45 45 ASN CG C 13 177.972 0.012 . 1 . 1541 . A 35 ASN CG . 25402 1 452 . 1 1 45 45 ASN N N 15 114.921 0.072 . 1 . 289 . A 35 ASN N . 25402 1 453 . 1 1 45 45 ASN ND2 N 15 112.594 0.032 . 1 . 69 . A 35 ASN ND2 . 25402 1 454 . 1 1 46 46 PRO HA H 1 4.989 0.007 . 1 . 1694 . A 36 PRO HA . 25402 1 455 . 1 1 46 46 PRO HB2 H 1 1.879 0.008 . 2 . 1871 . A 36 PRO HB2 . 25402 1 456 . 1 1 46 46 PRO HB3 H 1 1.677 0.011 . 2 . 1870 . A 36 PRO HB3 . 25402 1 457 . 1 1 46 46 PRO HG2 H 1 2.196 0.007 . 2 . 1867 . A 36 PRO HG2 . 25402 1 458 . 1 1 46 46 PRO HG3 H 1 1.883 0.004 . 2 . 1869 . A 36 PRO HG3 . 25402 1 459 . 1 1 46 46 PRO HD2 H 1 3.849 0.006 . 2 . 1868 . A 36 PRO HD2 . 25402 1 460 . 1 1 46 46 PRO HD3 H 1 3.582 0.011 . 2 . 1865 . A 36 PRO HD3 . 25402 1 461 . 1 1 46 46 PRO C C 13 177.815 . . 1 . 1424 . A 36 PRO C . 25402 1 462 . 1 1 46 46 PRO CA C 13 62.156 0.037 . 1 . 956 . A 36 PRO CA . 25402 1 463 . 1 1 46 46 PRO CB C 13 31.740 0.005 . 1 . 955 . A 36 PRO CB . 25402 1 464 . 1 1 46 46 PRO CG C 13 28.073 0.037 . 1 . 1695 . A 36 PRO CG . 25402 1 465 . 1 1 46 46 PRO CD C 13 50.781 0.026 . 1 . 1866 . A 36 PRO CD . 25402 1 466 . 1 1 47 47 GLN H H 1 8.684 0.009 . 1 . 165 . A 37 GLN H . 25402 1 467 . 1 1 47 47 GLN HA H 1 4.568 0.007 . 1 . 950 . A 37 GLN HA . 25402 1 468 . 1 1 47 47 GLN HB2 H 1 1.690 0.012 . 2 . 952 . A 37 GLN HB2 . 25402 1 469 . 1 1 47 47 GLN HB3 H 1 1.859 0.011 . 2 . 951 . A 37 GLN HB3 . 25402 1 470 . 1 1 47 47 GLN HG2 H 1 2.144 0.01 . 2 . 954 . A 37 GLN HG2 . 25402 1 471 . 1 1 47 47 GLN HG3 H 1 2.209 0.012 . 2 . 953 . A 37 GLN HG3 . 25402 1 472 . 1 1 47 47 GLN HE21 H 1 6.688 0.002 . 1 . 84 . A 37 GLN HE21 . 25402 1 473 . 1 1 47 47 GLN HE22 H 1 7.295 0.003 . 1 . 83 . A 37 GLN HE22 . 25402 1 474 . 1 1 47 47 GLN C C 13 174.632 0.012 . 1 . 1363 . A 37 GLN C . 25402 1 475 . 1 1 47 47 GLN CA C 13 54.629 0.065 . 1 . 948 . A 37 GLN CA . 25402 1 476 . 1 1 47 47 GLN CB C 13 32.495 0.093 . 1 . 931 . A 37 GLN CB . 25402 1 477 . 1 1 47 47 GLN CG C 13 33.472 0.053 . 1 . 949 . A 37 GLN CG . 25402 1 478 . 1 1 47 47 GLN CD C 13 180.483 0.011 . 1 . 1550 . A 37 GLN CD . 25402 1 479 . 1 1 47 47 GLN N N 15 121.926 0.054 . 1 . 166 . A 37 GLN N . 25402 1 480 . 1 1 47 47 GLN NE2 N 15 111.132 0.028 . 1 . 85 . A 37 GLN NE2 . 25402 1 481 . 1 1 48 48 THR H H 1 8.902 0.011 . 1 . 303 . A 38 THR H . 25402 1 482 . 1 1 48 48 THR HA H 1 4.914 0.03 . 1 . 945 . A 38 THR HA . 25402 1 483 . 1 1 48 48 THR HB H 1 3.842 0.007 . 1 . 944 . A 38 THR HB . 25402 1 484 . 1 1 48 48 THR HG21 H 1 0.833 0.008 . 1 . 946 . A 38 THR HG21 . 25402 1 485 . 1 1 48 48 THR HG22 H 1 0.833 0.008 . 1 . 946 . A 38 THR HG22 . 25402 1 486 . 1 1 48 48 THR HG23 H 1 0.833 0.008 . 1 . 946 . A 38 THR HG23 . 25402 1 487 . 1 1 48 48 THR C C 13 173.834 0.025 . 1 . 1586 . A 38 THR C . 25402 1 488 . 1 1 48 48 THR CA C 13 62.298 0.067 . 1 . 489 . A 38 THR CA . 25402 1 489 . 1 1 48 48 THR CB C 13 69.273 0.026 . 1 . 943 . A 38 THR CB . 25402 1 490 . 1 1 48 48 THR CG2 C 13 22.582 0.056 . 1 . 947 . A 38 THR CG2 . 25402 1 491 . 1 1 48 48 THR N N 15 123.431 0.116 . 1 . 304 . A 38 THR N . 25402 1 492 . 1 1 49 49 VAL H H 1 8.691 0.027 . 1 . 96 . A 39 VAL H . 25402 1 493 . 1 1 49 49 VAL HA H 1 4.159 0.008 . 1 . 846 . A 39 VAL HA . 25402 1 494 . 1 1 49 49 VAL HB H 1 1.257 0.007 . 1 . 845 . A 39 VAL HB . 25402 1 495 . 1 1 49 49 VAL HG11 H 1 0.384 0.008 . 2 . 848 . A 39 VAL HG11 . 25402 1 496 . 1 1 49 49 VAL HG12 H 1 0.384 0.008 . 2 . 848 . A 39 VAL HG12 . 25402 1 497 . 1 1 49 49 VAL HG13 H 1 0.384 0.008 . 2 . 848 . A 39 VAL HG13 . 25402 1 498 . 1 1 49 49 VAL HG21 H 1 0.663 0.01 . 2 . 849 . A 39 VAL HG21 . 25402 1 499 . 1 1 49 49 VAL HG22 H 1 0.663 0.01 . 2 . 849 . A 39 VAL HG22 . 25402 1 500 . 1 1 49 49 VAL HG23 H 1 0.663 0.01 . 2 . 849 . A 39 VAL HG23 . 25402 1 501 . 1 1 49 49 VAL C C 13 174.702 0.015 . 1 . 1575 . A 39 VAL C . 25402 1 502 . 1 1 49 49 VAL CA C 13 60.455 0.057 . 1 . 438 . A 39 VAL CA . 25402 1 503 . 1 1 49 49 VAL CB C 13 34.026 0.036 . 1 . 315 . A 39 VAL CB . 25402 1 504 . 1 1 49 49 VAL CG1 C 13 19.846 0.052 . 2 . 847 . A 39 VAL CG1 . 25402 1 505 . 1 1 49 49 VAL CG2 C 13 21.477 0.021 . 2 . 850 . A 39 VAL CG2 . 25402 1 506 . 1 1 49 49 VAL N N 15 127.393 0.048 . 1 . 97 . A 39 VAL N . 25402 1 507 . 1 1 50 50 GLY H H 1 8.051 0.004 . 1 . 88 . A 40 GLY H . 25402 1 508 . 1 1 50 50 GLY HA2 H 1 4.236 0.01 . 2 . 541 . A 40 GLY HA2 . 25402 1 509 . 1 1 50 50 GLY HA3 H 1 3.668 0.007 . 2 . 542 . A 40 GLY HA3 . 25402 1 510 . 1 1 50 50 GLY C C 13 173.434 0.022 . 1 . 1576 . A 40 GLY C . 25402 1 511 . 1 1 50 50 GLY CA C 13 43.791 0.059 . 1 . 314 . A 40 GLY CA . 25402 1 512 . 1 1 50 50 GLY N N 15 108.219 0.053 . 1 . 89 . A 40 GLY N . 25402 1 513 . 1 1 51 51 VAL H H 1 8.064 0.003 . 1 . 49 . A 41 VAL H . 25402 1 514 . 1 1 51 51 VAL HA H 1 4.255 0.003 . 1 . 620 . A 41 VAL HA . 25402 1 515 . 1 1 51 51 VAL HB H 1 1.898 0.004 . 1 . 621 . A 41 VAL HB . 25402 1 516 . 1 1 51 51 VAL HG11 H 1 0.817 0.009 . 2 . 625 . A 41 VAL HG11 . 25402 1 517 . 1 1 51 51 VAL HG12 H 1 0.817 0.009 . 2 . 625 . A 41 VAL HG12 . 25402 1 518 . 1 1 51 51 VAL HG13 H 1 0.817 0.009 . 2 . 625 . A 41 VAL HG13 . 25402 1 519 . 1 1 51 51 VAL HG21 H 1 0.830 0.007 . 2 . 624 . A 41 VAL HG21 . 25402 1 520 . 1 1 51 51 VAL HG22 H 1 0.830 0.007 . 2 . 624 . A 41 VAL HG22 . 25402 1 521 . 1 1 51 51 VAL HG23 H 1 0.830 0.007 . 2 . 624 . A 41 VAL HG23 . 25402 1 522 . 1 1 51 51 VAL C C 13 176.492 0.02 . 1 . 1581 . A 41 VAL C . 25402 1 523 . 1 1 51 51 VAL CA C 13 60.541 0.042 . 1 . 330 . A 41 VAL CA . 25402 1 524 . 1 1 51 51 VAL CB C 13 35.557 0.015 . 1 . 331 . A 41 VAL CB . 25402 1 525 . 1 1 51 51 VAL CG1 C 13 20.065 0.039 . 2 . 623 . A 41 VAL CG1 . 25402 1 526 . 1 1 51 51 VAL CG2 C 13 21.074 0.026 . 2 . 622 . A 41 VAL CG2 . 25402 1 527 . 1 1 51 51 VAL N N 15 114.219 0.051 . 1 . 50 . A 41 VAL N . 25402 1 528 . 1 1 52 52 GLY H H 1 8.917 0.006 . 1 . 292 . A 42 GLY H . 25402 1 529 . 1 1 52 52 GLY HA2 H 1 3.962 0.007 . 2 . 831 . A 42 GLY HA2 . 25402 1 530 . 1 1 52 52 GLY HA3 H 1 3.712 0.007 . 2 . 830 . A 42 GLY HA3 . 25402 1 531 . 1 1 52 52 GLY C C 13 176.768 . . 1 . 1580 . A 42 GLY C . 25402 1 532 . 1 1 52 52 GLY CA C 13 46.228 0.05 . 1 . 329 . A 42 GLY CA . 25402 1 533 . 1 1 52 52 GLY N N 15 114.101 0.046 . 1 . 293 . A 42 GLY N . 25402 1 534 . 1 1 53 53 ARG HA H 1 4.258 0.01 . 1 . 836 . A 43 ARG HA . 25402 1 535 . 1 1 53 53 ARG HB2 H 1 1.868 0.012 . 2 . 838 . A 43 ARG HB2 . 25402 1 536 . 1 1 53 53 ARG HB3 H 1 1.980 0.009 . 2 . 839 . A 43 ARG HB3 . 25402 1 537 . 1 1 53 53 ARG HG2 H 1 1.755 0.006 . 1 . 841 . A 43 ARG HG2 . 25402 1 538 . 1 1 53 53 ARG HG3 H 1 1.759 0.005 . 1 . 1872 . A 43 ARG HG3 . 25402 1 539 . 1 1 53 53 ARG HD2 H 1 3.246 0.003 . 1 . 843 . A 43 ARG HD2 . 25402 1 540 . 1 1 53 53 ARG HD3 H 1 3.247 0.002 . 1 . 837 . A 43 ARG HD3 . 25402 1 541 . 1 1 53 53 ARG C C 13 177.386 . . 1 . 1578 . A 43 ARG C . 25402 1 542 . 1 1 53 53 ARG CA C 13 57.817 0.052 . 1 . 897 . A 43 ARG CA . 25402 1 543 . 1 1 53 53 ARG CB C 13 29.628 0.048 . 1 . 898 . A 43 ARG CB . 25402 1 544 . 1 1 53 53 ARG CG C 13 27.354 0.031 . 1 . 840 . A 43 ARG CG . 25402 1 545 . 1 1 53 53 ARG CD C 13 43.232 0.012 . 1 . 842 . A 43 ARG CD . 25402 1 546 . 1 1 54 54 GLY H H 1 8.411 0.007 . 1 . 282 . A 44 GLY H . 25402 1 547 . 1 1 54 54 GLY HA2 H 1 4.345 0.017 . 2 . 829 . A 44 GLY HA2 . 25402 1 548 . 1 1 54 54 GLY HA3 H 1 3.811 0.005 . 2 . 828 . A 44 GLY HA3 . 25402 1 549 . 1 1 54 54 GLY C C 13 174.302 . . 1 . 1577 . A 44 GLY C . 25402 1 550 . 1 1 54 54 GLY CA C 13 44.975 0.059 . 1 . 313 . A 44 GLY CA . 25402 1 551 . 1 1 54 54 GLY N N 15 107.681 0.03 . 1 . 283 . A 44 GLY N . 25402 1 552 . 1 1 55 55 ARG H H 1 7.035 0.01 . 1 . 25 . A 45 ARG H . 25402 1 553 . 1 1 55 55 ARG HA H 1 4.820 0.014 . 1 . 1425 . A 45 ARG HA . 25402 1 554 . 1 1 55 55 ARG HB2 H 1 1.068 0.006 . 2 . 1429 . A 45 ARG HB2 . 25402 1 555 . 1 1 55 55 ARG HB3 H 1 1.210 0.017 . 2 . 1428 . A 45 ARG HB3 . 25402 1 556 . 1 1 55 55 ARG HG2 H 1 1.079 0.008 . 2 . 1432 . A 45 ARG HG2 . 25402 1 557 . 1 1 55 55 ARG HG3 H 1 0.990 0.017 . 2 . 1433 . A 45 ARG HG3 . 25402 1 558 . 1 1 55 55 ARG HD2 H 1 2.373 0.004 . 2 . 1431 . A 45 ARG HD2 . 25402 1 559 . 1 1 55 55 ARG HD3 H 1 2.736 0.009 . 2 . 1430 . A 45 ARG HD3 . 25402 1 560 . 1 1 55 55 ARG C C 13 176.385 . . 1 . 1216 . A 45 ARG C . 25402 1 561 . 1 1 55 55 ARG CA C 13 56.014 0.051 . 1 . 398 . A 45 ARG CA . 25402 1 562 . 1 1 55 55 ARG CB C 13 32.102 0.05 . 1 . 399 . A 45 ARG CB . 25402 1 563 . 1 1 55 55 ARG CG C 13 26.185 0.07 . 1 . 1426 . A 45 ARG CG . 25402 1 564 . 1 1 55 55 ARG CD C 13 43.653 0.03 . 1 . 1427 . A 45 ARG CD . 25402 1 565 . 1 1 55 55 ARG N N 15 121.111 0.049 . 1 . 26 . A 45 ARG N . 25402 1 566 . 1 1 56 56 PHE H H 1 8.450 0.015 . 1 . 233 . A 46 PHE H . 25402 1 567 . 1 1 56 56 PHE HA H 1 5.304 0.022 . 1 . 1070 . A 46 PHE HA . 25402 1 568 . 1 1 56 56 PHE HB2 H 1 3.123 0.077 . 2 . 1072 . A 46 PHE HB2 . 25402 1 569 . 1 1 56 56 PHE HB3 H 1 3.325 0.073 . 2 . 1071 . A 46 PHE HB3 . 25402 1 570 . 1 1 56 56 PHE HD1 H 1 7.107 0.022 . 3 . 1613 . A 46 PHE HD1 . 25402 1 571 . 1 1 56 56 PHE HD2 H 1 7.107 0.022 . 3 . 1613 . A 46 PHE HD2 . 25402 1 572 . 1 1 56 56 PHE HE1 H 1 7.187 0.026 . 3 . 1614 . A 46 PHE HE1 . 25402 1 573 . 1 1 56 56 PHE HE2 H 1 7.187 0.026 . 3 . 1614 . A 46 PHE HE2 . 25402 1 574 . 1 1 56 56 PHE HZ H 1 7.278 . . 1 . 1903 . A 46 PHE HZ . 25402 1 575 . 1 1 56 56 PHE C C 13 173.186 0.025 . 1 . 1215 . A 46 PHE C . 25402 1 576 . 1 1 56 56 PHE CA C 13 56.593 0.043 . 1 . 895 . A 46 PHE CA . 25402 1 577 . 1 1 56 56 PHE CB C 13 41.759 0.065 . 1 . 896 . A 46 PHE CB . 25402 1 578 . 1 1 56 56 PHE CD1 C 13 132.706 0.052 . 3 . 1615 . A 46 PHE CD1 . 25402 1 579 . 1 1 56 56 PHE CD2 C 13 132.706 0.052 . 3 . 1615 . A 46 PHE CD2 . 25402 1 580 . 1 1 56 56 PHE N N 15 117.285 0.07 . 1 . 234 . A 46 PHE N . 25402 1 581 . 1 1 57 57 THR H H 1 8.820 0.05 . 1 . 211 . A 47 THR H . 25402 1 582 . 1 1 57 57 THR HA H 1 5.365 0.025 . 1 . 627 . A 47 THR HA . 25402 1 583 . 1 1 57 57 THR HB H 1 3.796 0.009 . 1 . 628 . A 47 THR HB . 25402 1 584 . 1 1 57 57 THR HG21 H 1 0.806 0.009 . 1 . 1692 . A 47 THR HG21 . 25402 1 585 . 1 1 57 57 THR HG22 H 1 0.806 0.009 . 1 . 1692 . A 47 THR HG22 . 25402 1 586 . 1 1 57 57 THR HG23 H 1 0.806 0.009 . 1 . 1692 . A 47 THR HG23 . 25402 1 587 . 1 1 57 57 THR C C 13 175.589 . . 1 . 1582 . A 47 THR C . 25402 1 588 . 1 1 57 57 THR CA C 13 61.906 0.088 . 1 . 372 . A 47 THR CA . 25402 1 589 . 1 1 57 57 THR CB C 13 70.665 0.033 . 1 . 373 . A 47 THR CB . 25402 1 590 . 1 1 57 57 THR CG2 C 13 21.625 0.041 . 1 . 1693 . A 47 THR CG2 . 25402 1 591 . 1 1 57 57 THR N N 15 118.556 0.173 . 1 . 212 . A 47 THR N . 25402 1 592 . 1 1 58 58 THR H H 1 9.180 0.021 . 1 . 286 . A 48 THR H . 25402 1 593 . 1 1 58 58 THR HA H 1 5.095 0.01 . 1 . 629 . A 48 THR HA . 25402 1 594 . 1 1 58 58 THR HB H 1 4.117 0.01 . 1 . 630 . A 48 THR HB . 25402 1 595 . 1 1 58 58 THR HG21 H 1 1.377 0.005 . 1 . 1248 . A 48 THR HG21 . 25402 1 596 . 1 1 58 58 THR HG22 H 1 1.377 0.005 . 1 . 1248 . A 48 THR HG22 . 25402 1 597 . 1 1 58 58 THR HG23 H 1 1.377 0.005 . 1 . 1248 . A 48 THR HG23 . 25402 1 598 . 1 1 58 58 THR C C 13 172.395 0.033 . 1 . 1486 . A 48 THR C . 25402 1 599 . 1 1 58 58 THR CA C 13 59.464 0.084 . 1 . 345 . A 48 THR CA . 25402 1 600 . 1 1 58 58 THR CB C 13 72.327 0.037 . 1 . 346 . A 48 THR CB . 25402 1 601 . 1 1 58 58 THR CG2 C 13 22.152 0.027 . 1 . 1247 . A 48 THR CG2 . 25402 1 602 . 1 1 58 58 THR N N 15 116.836 0.282 . 1 . 287 . A 48 THR N . 25402 1 603 . 1 1 59 59 TYR H H 1 9.373 0.014 . 1 . 295 . A 49 TYR H . 25402 1 604 . 1 1 59 59 TYR HA H 1 4.380 0.009 . 1 . 631 . A 49 TYR HA . 25402 1 605 . 1 1 59 59 TYR HB2 H 1 2.914 0.015 . 2 . 925 . A 49 TYR HB2 . 25402 1 606 . 1 1 59 59 TYR HB3 H 1 2.693 0.006 . 2 . 924 . A 49 TYR HB3 . 25402 1 607 . 1 1 59 59 TYR HD1 H 1 6.962 0.004 . 3 . 926 . A 49 TYR HD1 . 25402 1 608 . 1 1 59 59 TYR HD2 H 1 6.962 0.004 . 3 . 926 . A 49 TYR HD2 . 25402 1 609 . 1 1 59 59 TYR HE1 H 1 6.638 0.009 . 3 . 928 . A 49 TYR HE1 . 25402 1 610 . 1 1 59 59 TYR HE2 H 1 6.638 0.009 . 3 . 928 . A 49 TYR HE2 . 25402 1 611 . 1 1 59 59 TYR C C 13 174.921 0.009 . 1 . 1487 . A 49 TYR C . 25402 1 612 . 1 1 59 59 TYR CA C 13 57.346 0.029 . 1 . 918 . A 49 TYR CA . 25402 1 613 . 1 1 59 59 TYR CB C 13 41.863 0.018 . 1 . 917 . A 49 TYR CB . 25402 1 614 . 1 1 59 59 TYR CD1 C 13 132.678 . . 3 . 1945 . A 49 TYR CD1 . 25402 1 615 . 1 1 59 59 TYR CD2 C 13 132.678 . . 3 . 1945 . A 49 TYR CD2 . 25402 1 616 . 1 1 59 59 TYR CE1 C 13 117.022 . . 3 . 927 . A 49 TYR CE1 . 25402 1 617 . 1 1 59 59 TYR CE2 C 13 117.022 . . 3 . 927 . A 49 TYR CE2 . 25402 1 618 . 1 1 59 59 TYR N N 15 118.434 0.067 . 1 . 296 . A 49 TYR N . 25402 1 619 . 1 1 60 60 GLU H H 1 8.979 0.007 . 1 . 116 . A 50 GLU H . 25402 1 620 . 1 1 60 60 GLU HA H 1 4.888 0.009 . 1 . 1645 . A 50 GLU HA . 25402 1 621 . 1 1 60 60 GLU HB2 H 1 2.011 0.005 . 2 . 1648 . A 50 GLU HB2 . 25402 1 622 . 1 1 60 60 GLU HB3 H 1 1.906 0.007 . 2 . 1649 . A 50 GLU HB3 . 25402 1 623 . 1 1 60 60 GLU HG2 H 1 2.004 0.01 . 2 . 1651 . A 50 GLU HG2 . 25402 1 624 . 1 1 60 60 GLU HG3 H 1 2.225 0.006 . 2 . 1650 . A 50 GLU HG3 . 25402 1 625 . 1 1 60 60 GLU C C 13 175.784 0.0 . 1 . 1585 . A 50 GLU C . 25402 1 626 . 1 1 60 60 GLU CA C 13 56.085 . . 1 . 419 . A 50 GLU CA . 25402 1 627 . 1 1 60 60 GLU CB C 13 31.465 0.06 . 1 . 1647 . A 50 GLU CB . 25402 1 628 . 1 1 60 60 GLU CG C 13 37.617 0.053 . 1 . 1646 . A 50 GLU CG . 25402 1 629 . 1 1 60 60 GLU N N 15 123.497 0.051 . 1 . 117 . A 50 GLU N . 25402 1 630 . 1 1 61 61 ILE H H 1 9.514 0.007 . 1 . 98 . A 51 ILE H . 25402 1 631 . 1 1 61 61 ILE HA H 1 5.097 0.012 . 1 . 1039 . A 51 ILE HA . 25402 1 632 . 1 1 61 61 ILE HB H 1 1.931 0.008 . 1 . 1040 . A 51 ILE HB . 25402 1 633 . 1 1 61 61 ILE HG12 H 1 1.402 0.023 . 2 . 1046 . A 51 ILE HG12 . 25402 1 634 . 1 1 61 61 ILE HG13 H 1 1.340 0.028 . 2 . 1047 . A 51 ILE HG13 . 25402 1 635 . 1 1 61 61 ILE HG21 H 1 0.720 0.011 . 1 . 1044 . A 51 ILE HG21 . 25402 1 636 . 1 1 61 61 ILE HG22 H 1 0.720 0.011 . 1 . 1044 . A 51 ILE HG22 . 25402 1 637 . 1 1 61 61 ILE HG23 H 1 0.720 0.011 . 1 . 1044 . A 51 ILE HG23 . 25402 1 638 . 1 1 61 61 ILE HD11 H 1 0.865 0.006 . 1 . 1045 . A 51 ILE HD11 . 25402 1 639 . 1 1 61 61 ILE HD12 H 1 0.865 0.006 . 1 . 1045 . A 51 ILE HD12 . 25402 1 640 . 1 1 61 61 ILE HD13 H 1 0.865 0.006 . 1 . 1045 . A 51 ILE HD13 . 25402 1 641 . 1 1 61 61 ILE C C 13 175.878 0.006 . 1 . 1584 . A 51 ILE C . 25402 1 642 . 1 1 61 61 ILE CA C 13 59.640 0.042 . 1 . 437 . A 51 ILE CA . 25402 1 643 . 1 1 61 61 ILE CB C 13 37.611 0.036 . 1 . 511 . A 51 ILE CB . 25402 1 644 . 1 1 61 61 ILE CG1 C 13 28.004 0.048 . 1 . 1042 . A 51 ILE CG1 . 25402 1 645 . 1 1 61 61 ILE CG2 C 13 18.199 0.071 . 1 . 1043 . A 51 ILE CG2 . 25402 1 646 . 1 1 61 61 ILE CD1 C 13 15.372 0.062 . 1 . 1041 . A 51 ILE CD1 . 25402 1 647 . 1 1 61 61 ILE N N 15 127.261 0.036 . 1 . 99 . A 51 ILE N . 25402 1 648 . 1 1 62 62 ARG H H 1 9.185 0.009 . 1 . 90 . A 52 ARG H . 25402 1 649 . 1 1 62 62 ARG HA H 1 5.556 0.01 . 1 . 1030 . A 52 ARG HA . 25402 1 650 . 1 1 62 62 ARG HB2 H 1 1.976 0.01 . 2 . 1033 . A 52 ARG HB2 . 25402 1 651 . 1 1 62 62 ARG HB3 H 1 1.838 0.012 . 2 . 1034 . A 52 ARG HB3 . 25402 1 652 . 1 1 62 62 ARG HG2 H 1 1.639 0.005 . 2 . 1036 . A 52 ARG HG2 . 25402 1 653 . 1 1 62 62 ARG HG3 H 1 1.757 0.006 . 2 . 1035 . A 52 ARG HG3 . 25402 1 654 . 1 1 62 62 ARG HD2 H 1 3.179 0.01 . 1 . 1037 . A 52 ARG HD2 . 25402 1 655 . 1 1 62 62 ARG HD3 H 1 3.179 0.01 . 1 . 1038 . A 52 ARG HD3 . 25402 1 656 . 1 1 62 62 ARG C C 13 175.101 0.003 . 1 . 1583 . A 52 ARG C . 25402 1 657 . 1 1 62 62 ARG CA C 13 54.533 0.08 . 1 . 1028 . A 52 ARG CA . 25402 1 658 . 1 1 62 62 ARG CB C 13 33.034 0.052 . 1 . 1029 . A 52 ARG CB . 25402 1 659 . 1 1 62 62 ARG CG C 13 27.493 0.067 . 1 . 1032 . A 52 ARG CG . 25402 1 660 . 1 1 62 62 ARG CD C 13 43.597 0.071 . 1 . 1031 . A 52 ARG CD . 25402 1 661 . 1 1 62 62 ARG N N 15 131.012 0.045 . 1 . 91 . A 52 ARG N . 25402 1 662 . 1 1 63 63 VAL H H 1 8.495 0.005 . 1 . 125 . A 53 VAL H . 25402 1 663 . 1 1 63 63 VAL HA H 1 4.685 0.008 . 1 . 1022 . A 53 VAL HA . 25402 1 664 . 1 1 63 63 VAL HB H 1 2.088 0.01 . 1 . 1025 . A 53 VAL HB . 25402 1 665 . 1 1 63 63 VAL HG11 H 1 0.304 0.008 . 2 . 1027 . A 53 VAL HG11 . 25402 1 666 . 1 1 63 63 VAL HG12 H 1 0.304 0.008 . 2 . 1027 . A 53 VAL HG12 . 25402 1 667 . 1 1 63 63 VAL HG13 H 1 0.304 0.008 . 2 . 1027 . A 53 VAL HG13 . 25402 1 668 . 1 1 63 63 VAL HG21 H 1 0.831 0.012 . 2 . 1026 . A 53 VAL HG21 . 25402 1 669 . 1 1 63 63 VAL HG22 H 1 0.831 0.012 . 2 . 1026 . A 53 VAL HG22 . 25402 1 670 . 1 1 63 63 VAL HG23 H 1 0.831 0.012 . 2 . 1026 . A 53 VAL HG23 . 25402 1 671 . 1 1 63 63 VAL C C 13 175.825 0.009 . 1 . 1212 . A 53 VAL C . 25402 1 672 . 1 1 63 63 VAL CA C 13 60.957 0.12 . 1 . 1020 . A 53 VAL CA . 25402 1 673 . 1 1 63 63 VAL CB C 13 33.783 0.018 . 1 . 1021 . A 53 VAL CB . 25402 1 674 . 1 1 63 63 VAL CG1 C 13 20.764 0.064 . 2 . 1023 . A 53 VAL CG1 . 25402 1 675 . 1 1 63 63 VAL CG2 C 13 23.593 0.074 . 2 . 1024 . A 53 VAL CG2 . 25402 1 676 . 1 1 63 63 VAL N N 15 124.922 0.023 . 1 . 126 . A 53 VAL N . 25402 1 677 . 1 1 64 64 LYS H H 1 8.649 0.007 . 1 . 102 . A 54 LYS H . 25402 1 678 . 1 1 64 64 LYS HA H 1 5.197 0.01 . 1 . 1008 . A 54 LYS HA . 25402 1 679 . 1 1 64 64 LYS HB2 H 1 1.952 0.064 . 2 . 1014 . A 54 LYS HB2 . 25402 1 680 . 1 1 64 64 LYS HB3 H 1 1.855 0.061 . 2 . 1015 . A 54 LYS HB3 . 25402 1 681 . 1 1 64 64 LYS HG2 H 1 1.536 0.013 . 2 . 1016 . A 54 LYS HG2 . 25402 1 682 . 1 1 64 64 LYS HG3 H 1 1.519 0.015 . 2 . 1017 . A 54 LYS HG3 . 25402 1 683 . 1 1 64 64 LYS HD2 H 1 1.709 0.008 . 1 . 1012 . A 54 LYS HD2 . 25402 1 684 . 1 1 64 64 LYS HD3 H 1 1.709 0.009 . 1 . 1013 . A 54 LYS HD3 . 25402 1 685 . 1 1 64 64 LYS HE2 H 1 2.899 0.005 . 1 . 1018 . A 54 LYS HE2 . 25402 1 686 . 1 1 64 64 LYS HE3 H 1 2.899 0.005 . 1 . 1019 . A 54 LYS HE3 . 25402 1 687 . 1 1 64 64 LYS C C 13 175.056 0.011 . 1 . 1211 . A 54 LYS C . 25402 1 688 . 1 1 64 64 LYS CA C 13 55.784 0.049 . 1 . 1007 . A 54 LYS CA . 25402 1 689 . 1 1 64 64 LYS CB C 13 35.734 0.04 . 1 . 1006 . A 54 LYS CB . 25402 1 690 . 1 1 64 64 LYS CG C 13 25.347 0.055 . 1 . 1010 . A 54 LYS CG . 25402 1 691 . 1 1 64 64 LYS CD C 13 29.437 0.064 . 1 . 1009 . A 54 LYS CD . 25402 1 692 . 1 1 64 64 LYS CE C 13 41.936 0.105 . 1 . 1011 . A 54 LYS CE . 25402 1 693 . 1 1 64 64 LYS N N 15 126.254 0.08 . 1 . 103 . A 54 LYS N . 25402 1 694 . 1 1 65 65 THR H H 1 9.215 0.006 . 1 . 39 . A 55 THR H . 25402 1 695 . 1 1 65 65 THR HA H 1 4.349 0.013 . 1 . 633 . A 55 THR HA . 25402 1 696 . 1 1 65 65 THR HB H 1 3.734 0.007 . 1 . 632 . A 55 THR HB . 25402 1 697 . 1 1 65 65 THR HG21 H 1 0.716 0.01 . 1 . 1942 . A 55 THR HG21 . 25402 1 698 . 1 1 65 65 THR HG22 H 1 0.716 0.01 . 1 . 1942 . A 55 THR HG22 . 25402 1 699 . 1 1 65 65 THR HG23 H 1 0.716 0.01 . 1 . 1942 . A 55 THR HG23 . 25402 1 700 . 1 1 65 65 THR C C 13 171.250 0.039 . 1 . 1485 . A 55 THR C . 25402 1 701 . 1 1 65 65 THR CA C 13 59.654 0.052 . 1 . 359 . A 55 THR CA . 25402 1 702 . 1 1 65 65 THR CB C 13 70.048 0.032 . 1 . 360 . A 55 THR CB . 25402 1 703 . 1 1 65 65 THR CG2 C 13 17.587 0.03 . 1 . 1943 . A 55 THR CG2 . 25402 1 704 . 1 1 65 65 THR N N 15 118.539 0.064 . 1 . 40 . A 55 THR N . 25402 1 705 . 1 1 66 66 ASN H H 1 6.920 0.01 . 1 . 160 . A 56 ASN H . 25402 1 706 . 1 1 66 66 ASN HA H 1 4.696 0.007 . 1 . 1003 . A 56 ASN HA . 25402 1 707 . 1 1 66 66 ASN HB2 H 1 3.216 0.005 . 2 . 1005 . A 56 ASN HB2 . 25402 1 708 . 1 1 66 66 ASN HB3 H 1 2.566 0.008 . 2 . 1004 . A 56 ASN HB3 . 25402 1 709 . 1 1 66 66 ASN HD21 H 1 7.212 0.006 . 1 . 278 . A 56 ASN HD21 . 25402 1 710 . 1 1 66 66 ASN HD22 H 1 7.549 0.004 . 1 . 276 . A 56 ASN HD22 . 25402 1 711 . 1 1 66 66 ASN C C 13 177.297 0.022 . 1 . 1443 . A 56 ASN C . 25402 1 712 . 1 1 66 66 ASN CA C 13 51.154 0.074 . 1 . 380 . A 56 ASN CA . 25402 1 713 . 1 1 66 66 ASN CB C 13 38.500 0.059 . 1 . 483 . A 56 ASN CB . 25402 1 714 . 1 1 66 66 ASN CG C 13 177.342 . . 1 . 1552 . A 56 ASN CG . 25402 1 715 . 1 1 66 66 ASN N N 15 119.809 0.036 . 1 . 277 . A 56 ASN N . 25402 1 716 . 1 1 66 66 ASN ND2 N 15 108.939 0.143 . 1 . 279 . A 56 ASN ND2 . 25402 1 717 . 1 1 67 67 LEU H H 1 8.852 0.005 . 1 . 100 . A 57 LEU H . 25402 1 718 . 1 1 67 67 LEU HA H 1 4.432 0.008 . 1 . 1612 . A 57 LEU HA . 25402 1 719 . 1 1 67 67 LEU HB2 H 1 2.099 0.011 . 2 . 1445 . A 57 LEU HB2 . 25402 1 720 . 1 1 67 67 LEU HB3 H 1 1.576 0.016 . 2 . 1446 . A 57 LEU HB3 . 25402 1 721 . 1 1 67 67 LEU HG H 1 1.628 0.01 . 1 . 1611 . A 57 LEU HG . 25402 1 722 . 1 1 67 67 LEU HD11 H 1 0.987 0.008 . 2 . 1606 . A 57 LEU HD11 . 25402 1 723 . 1 1 67 67 LEU HD12 H 1 0.987 0.008 . 2 . 1606 . A 57 LEU HD12 . 25402 1 724 . 1 1 67 67 LEU HD13 H 1 0.987 0.008 . 2 . 1606 . A 57 LEU HD13 . 25402 1 725 . 1 1 67 67 LEU HD21 H 1 0.926 0.006 . 2 . 1608 . A 57 LEU HD21 . 25402 1 726 . 1 1 67 67 LEU HD22 H 1 0.926 0.006 . 2 . 1608 . A 57 LEU HD22 . 25402 1 727 . 1 1 67 67 LEU HD23 H 1 0.926 0.006 . 2 . 1608 . A 57 LEU HD23 . 25402 1 728 . 1 1 67 67 LEU C C 13 177.905 . . 1 . 1444 . A 57 LEU C . 25402 1 729 . 1 1 67 67 LEU CA C 13 53.935 0.089 . 1 . 434 . A 57 LEU CA . 25402 1 730 . 1 1 67 67 LEU CB C 13 42.337 0.055 . 1 . 634 . A 57 LEU CB . 25402 1 731 . 1 1 67 67 LEU CG C 13 27.611 0.058 . 1 . 1610 . A 57 LEU CG . 25402 1 732 . 1 1 67 67 LEU CD1 C 13 26.620 0.043 . 2 . 1607 . A 57 LEU CD1 . 25402 1 733 . 1 1 67 67 LEU CD2 C 13 23.676 0.041 . 2 . 1609 . A 57 LEU CD2 . 25402 1 734 . 1 1 67 67 LEU N N 15 126.319 0.061 . 1 . 101 . A 57 LEU N . 25402 1 735 . 1 1 68 68 PRO HA H 1 4.291 0.005 . 1 . 821 . A 58 PRO HA . 25402 1 736 . 1 1 68 68 PRO HB2 H 1 1.922 0.003 . 2 . 1873 . A 58 PRO HB2 . 25402 1 737 . 1 1 68 68 PRO HB3 H 1 2.301 0.011 . 2 . 1874 . A 58 PRO HB3 . 25402 1 738 . 1 1 68 68 PRO HG2 H 1 2.027 0.008 . 1 . 1877 . A 58 PRO HG2 . 25402 1 739 . 1 1 68 68 PRO HG3 H 1 2.027 0.008 . 1 . 1876 . A 58 PRO HG3 . 25402 1 740 . 1 1 68 68 PRO HD2 H 1 4.060 0.006 . 2 . 1879 . A 58 PRO HD2 . 25402 1 741 . 1 1 68 68 PRO HD3 H 1 3.888 0.003 . 2 . 1880 . A 58 PRO HD3 . 25402 1 742 . 1 1 68 68 PRO C C 13 177.198 . . 1 . 1495 . A 58 PRO C . 25402 1 743 . 1 1 68 68 PRO CA C 13 64.409 0.051 . 1 . 635 . A 58 PRO CA . 25402 1 744 . 1 1 68 68 PRO CB C 13 31.982 0.042 . 1 . 636 . A 58 PRO CB . 25402 1 745 . 1 1 68 68 PRO CG C 13 27.331 0.026 . 1 . 1875 . A 58 PRO CG . 25402 1 746 . 1 1 68 68 PRO CD C 13 51.238 0.059 . 1 . 1878 . A 58 PRO CD . 25402 1 747 . 1 1 69 69 ILE H H 1 7.119 0.007 . 1 . 264 . A 59 ILE H . 25402 1 748 . 1 1 69 69 ILE HA H 1 3.924 0.005 . 1 . 637 . A 59 ILE HA . 25402 1 749 . 1 1 69 69 ILE HB H 1 1.722 0.008 . 1 . 639 . A 59 ILE HB . 25402 1 750 . 1 1 69 69 ILE HG12 H 1 1.177 0.004 . 2 . 640 . A 59 ILE HG12 . 25402 1 751 . 1 1 69 69 ILE HG13 H 1 1.042 0.01 . 2 . 641 . A 59 ILE HG13 . 25402 1 752 . 1 1 69 69 ILE HG21 H 1 0.593 0.006 . 1 . 642 . A 59 ILE HG21 . 25402 1 753 . 1 1 69 69 ILE HG22 H 1 0.593 0.006 . 1 . 642 . A 59 ILE HG22 . 25402 1 754 . 1 1 69 69 ILE HG23 H 1 0.593 0.006 . 1 . 642 . A 59 ILE HG23 . 25402 1 755 . 1 1 69 69 ILE HD11 H 1 0.739 0.007 . 1 . 644 . A 59 ILE HD11 . 25402 1 756 . 1 1 69 69 ILE HD12 H 1 0.739 0.007 . 1 . 644 . A 59 ILE HD12 . 25402 1 757 . 1 1 69 69 ILE HD13 H 1 0.739 0.007 . 1 . 644 . A 59 ILE HD13 . 25402 1 758 . 1 1 69 69 ILE C C 13 175.287 0.007 . 1 . 1494 . A 59 ILE C . 25402 1 759 . 1 1 69 69 ILE CA C 13 61.646 0.044 . 1 . 320 . A 59 ILE CA . 25402 1 760 . 1 1 69 69 ILE CB C 13 38.801 0.039 . 1 . 321 . A 59 ILE CB . 25402 1 761 . 1 1 69 69 ILE CG1 C 13 28.936 0.042 . 1 . 638 . A 59 ILE CG1 . 25402 1 762 . 1 1 69 69 ILE CG2 C 13 18.245 0.035 . 1 . 643 . A 59 ILE CG2 . 25402 1 763 . 1 1 69 69 ILE CD1 C 13 14.655 0.027 . 1 . 645 . A 59 ILE CD1 . 25402 1 764 . 1 1 69 69 ILE N N 15 112.571 0.03 . 1 . 265 . A 59 ILE N . 25402 1 765 . 1 1 70 70 PHE H H 1 7.046 0.007 . 1 . 161 . A 60 PHE H . 25402 1 766 . 1 1 70 70 PHE HA H 1 4.464 0.004 . 1 . 647 . A 60 PHE HA . 25402 1 767 . 1 1 70 70 PHE HB2 H 1 3.119 0.011 . 2 . 826 . A 60 PHE HB2 . 25402 1 768 . 1 1 70 70 PHE HB3 H 1 2.639 0.009 . 2 . 827 . A 60 PHE HB3 . 25402 1 769 . 1 1 70 70 PHE HD1 H 1 6.059 0.007 . 3 . 1616 . A 60 PHE HD1 . 25402 1 770 . 1 1 70 70 PHE HD2 H 1 6.059 0.007 . 3 . 1616 . A 60 PHE HD2 . 25402 1 771 . 1 1 70 70 PHE HE1 H 1 7.108 0.013 . 3 . 1618 . A 60 PHE HE1 . 25402 1 772 . 1 1 70 70 PHE HE2 H 1 7.108 0.013 . 3 . 1618 . A 60 PHE HE2 . 25402 1 773 . 1 1 70 70 PHE HZ H 1 6.781 0.018 . 1 . 1906 . A 60 PHE HZ . 25402 1 774 . 1 1 70 70 PHE C C 13 175.757 0.0 . 1 . 1491 . A 60 PHE C . 25402 1 775 . 1 1 70 70 PHE CA C 13 58.567 0.069 . 1 . 376 . A 60 PHE CA . 25402 1 776 . 1 1 70 70 PHE CB C 13 39.340 0.082 . 1 . 646 . A 60 PHE CB . 25402 1 777 . 1 1 70 70 PHE CD1 C 13 137.237 0.079 . 3 . 1617 . A 60 PHE CD1 . 25402 1 778 . 1 1 70 70 PHE CD2 C 13 137.237 0.079 . 3 . 1617 . A 60 PHE CD2 . 25402 1 779 . 1 1 70 70 PHE CE1 C 13 132.502 0.076 . 3 . 1619 . A 60 PHE CE1 . 25402 1 780 . 1 1 70 70 PHE CE2 C 13 132.502 0.076 . 3 . 1619 . A 60 PHE CE2 . 25402 1 781 . 1 1 70 70 PHE CZ C 13 130.450 0.077 . 1 . 2420 . A 60 PHE CZ . 25402 1 782 . 1 1 70 70 PHE N N 15 119.046 0.047 . 1 . 162 . A 60 PHE N . 25402 1 783 . 1 1 71 71 LYS H H 1 9.233 0.01 . 1 . 108 . A 61 LYS H . 25402 1 784 . 1 1 71 71 LYS HA H 1 3.961 0.005 . 1 . 649 . A 61 LYS HA . 25402 1 785 . 1 1 71 71 LYS HB2 H 1 1.763 0.012 . 2 . 1703 . A 61 LYS HB2 . 25402 1 786 . 1 1 71 71 LYS HB3 H 1 1.917 0.008 . 2 . 651 . A 61 LYS HB3 . 25402 1 787 . 1 1 71 71 LYS HG2 H 1 1.406 0.004 . 2 . 652 . A 61 LYS HG2 . 25402 1 788 . 1 1 71 71 LYS HG3 H 1 1.509 0.007 . 2 . 654 . A 61 LYS HG3 . 25402 1 789 . 1 1 71 71 LYS HD2 H 1 1.707 0.002 . 1 . 659 . A 61 LYS HD2 . 25402 1 790 . 1 1 71 71 LYS HD3 H 1 1.707 0.002 . 1 . 658 . A 61 LYS HD3 . 25402 1 791 . 1 1 71 71 LYS HE2 H 1 2.954 0.004 . 1 . 656 . A 61 LYS HE2 . 25402 1 792 . 1 1 71 71 LYS HE3 H 1 2.954 0.004 . 1 . 657 . A 61 LYS HE3 . 25402 1 793 . 1 1 71 71 LYS C C 13 177.266 0.015 . 1 . 1484 . A 61 LYS C . 25402 1 794 . 1 1 71 71 LYS CA C 13 58.732 0.055 . 1 . 461 . A 61 LYS CA . 25402 1 795 . 1 1 71 71 LYS CB C 13 32.902 0.03 . 1 . 648 . A 61 LYS CB . 25402 1 796 . 1 1 71 71 LYS CG C 13 24.831 0.045 . 1 . 650 . A 61 LYS CG . 25402 1 797 . 1 1 71 71 LYS CD C 13 29.156 0.018 . 1 . 653 . A 61 LYS CD . 25402 1 798 . 1 1 71 71 LYS CE C 13 42.067 0.05 . 1 . 655 . A 61 LYS CE . 25402 1 799 . 1 1 71 71 LYS N N 15 124.654 0.034 . 1 . 109 . A 61 LYS N . 25402 1 800 . 1 1 72 72 LEU H H 1 7.877 0.004 . 1 . 235 . A 62 LEU H . 25402 1 801 . 1 1 72 72 LEU HA H 1 4.798 0.01 . 1 . 1073 . A 62 LEU HA . 25402 1 802 . 1 1 72 72 LEU HB2 H 1 1.509 0.009 . 2 . 1078 . A 62 LEU HB2 . 25402 1 803 . 1 1 72 72 LEU HB3 H 1 1.561 0.022 . 2 . 1077 . A 62 LEU HB3 . 25402 1 804 . 1 1 72 72 LEU HG H 1 0.988 0.005 . 1 . 1079 . A 62 LEU HG . 25402 1 805 . 1 1 72 72 LEU HD11 H 1 0.997 0.004 . 1 . 1450 . A 62 LEU HD11 . 25402 1 806 . 1 1 72 72 LEU HD12 H 1 0.997 0.004 . 1 . 1450 . A 62 LEU HD12 . 25402 1 807 . 1 1 72 72 LEU HD13 H 1 0.997 0.004 . 1 . 1450 . A 62 LEU HD13 . 25402 1 808 . 1 1 72 72 LEU HD21 H 1 0.997 0.004 . 1 . 1451 . A 62 LEU HD21 . 25402 1 809 . 1 1 72 72 LEU HD22 H 1 0.997 0.004 . 1 . 1451 . A 62 LEU HD22 . 25402 1 810 . 1 1 72 72 LEU HD23 H 1 0.997 0.004 . 1 . 1451 . A 62 LEU HD23 . 25402 1 811 . 1 1 72 72 LEU C C 13 176.672 0.005 . 1 . 1197 . A 62 LEU C . 25402 1 812 . 1 1 72 72 LEU CA C 13 52.895 0.049 . 1 . 460 . A 62 LEU CA . 25402 1 813 . 1 1 72 72 LEU CB C 13 43.627 0.061 . 1 . 350 . A 62 LEU CB . 25402 1 814 . 1 1 72 72 LEU CG C 13 25.842 0.049 . 1 . 1074 . A 62 LEU CG . 25402 1 815 . 1 1 72 72 LEU CD1 C 13 23.375 0.037 . 1 . 1075 . A 62 LEU CD1 . 25402 1 816 . 1 1 72 72 LEU CD2 C 13 23.375 0.037 . 1 . 1076 . A 62 LEU CD2 . 25402 1 817 . 1 1 72 72 LEU N N 15 117.150 0.047 . 1 . 236 . A 62 LEU N . 25402 1 818 . 1 1 73 73 LYS H H 1 8.568 0.004 . 1 . 175 . A 63 LYS H . 25402 1 819 . 1 1 73 73 LYS HA H 1 4.179 0.005 . 1 . 1189 . A 63 LYS HA . 25402 1 820 . 1 1 73 73 LYS HB2 H 1 1.801 0.009 . 2 . 1192 . A 63 LYS HB2 . 25402 1 821 . 1 1 73 73 LYS HB3 H 1 2.304 0.007 . 2 . 1191 . A 63 LYS HB3 . 25402 1 822 . 1 1 73 73 LYS HG2 H 1 1.601 0.005 . 2 . 1704 . A 63 LYS HG2 . 25402 1 823 . 1 1 73 73 LYS HG3 H 1 1.540 0.005 . 2 . 1705 . A 63 LYS HG3 . 25402 1 824 . 1 1 73 73 LYS HD2 H 1 1.590 0.007 . 1 . 1709 . A 63 LYS HD2 . 25402 1 825 . 1 1 73 73 LYS HD3 H 1 1.590 0.007 . 1 . 1707 . A 63 LYS HD3 . 25402 1 826 . 1 1 73 73 LYS HE2 H 1 2.940 0.004 . 1 . 1710 . A 63 LYS HE2 . 25402 1 827 . 1 1 73 73 LYS HE3 H 1 2.940 0.004 . 1 . 1712 . A 63 LYS HE3 . 25402 1 828 . 1 1 73 73 LYS C C 13 176.476 0.06 . 1 . 1196 . A 63 LYS C . 25402 1 829 . 1 1 73 73 LYS CA C 13 56.563 0.052 . 1 . 1188 . A 63 LYS CA . 25402 1 830 . 1 1 73 73 LYS CB C 13 31.679 0.092 . 1 . 1190 . A 63 LYS CB . 25402 1 831 . 1 1 73 73 LYS CG C 13 25.225 0.042 . 1 . 1706 . A 63 LYS CG . 25402 1 832 . 1 1 73 73 LYS CD C 13 28.194 0.024 . 1 . 1708 . A 63 LYS CD . 25402 1 833 . 1 1 73 73 LYS CE C 13 42.655 0.031 . 1 . 1711 . A 63 LYS CE . 25402 1 834 . 1 1 73 73 LYS N N 15 121.098 0.029 . 1 . 176 . A 63 LYS N . 25402 1 835 . 1 1 74 74 GLU H H 1 7.100 0.004 . 1 . 47 . A 64 GLU H . 25402 1 836 . 1 1 74 74 GLU HA H 1 5.368 0.019 . 1 . 1066 . A 64 GLU HA . 25402 1 837 . 1 1 74 74 GLU HB2 H 1 1.973 0.019 . 2 . 1068 . A 64 GLU HB2 . 25402 1 838 . 1 1 74 74 GLU HB3 H 1 1.944 0.074 . 2 . 1067 . A 64 GLU HB3 . 25402 1 839 . 1 1 74 74 GLU HG2 H 1 2.298 0.009 . 1 . 1065 . A 64 GLU HG2 . 25402 1 840 . 1 1 74 74 GLU HG3 H 1 2.298 0.009 . 1 . 661 . A 64 GLU HG3 . 25402 1 841 . 1 1 74 74 GLU C C 13 175.308 0.009 . 1 . 1207 . A 64 GLU C . 25402 1 842 . 1 1 74 74 GLU CA C 13 54.713 0.04 . 1 . 1064 . A 64 GLU CA . 25402 1 843 . 1 1 74 74 GLU CB C 13 33.005 0.035 . 1 . 326 . A 64 GLU CB . 25402 1 844 . 1 1 74 74 GLU CG C 13 36.682 0.027 . 1 . 1069 . A 64 GLU CG . 25402 1 845 . 1 1 74 74 GLU N N 15 114.447 0.029 . 1 . 48 . A 64 GLU N . 25402 1 846 . 1 1 75 75 SER H H 1 8.629 0.004 . 1 . 239 . A 65 SER H . 25402 1 847 . 1 1 75 75 SER HA H 1 4.356 . . 1 . 1063 . A 65 SER HA . 25402 1 848 . 1 1 75 75 SER HB2 H 1 3.976 0.017 . 2 . 1062 . A 65 SER HB2 . 25402 1 849 . 1 1 75 75 SER HB3 H 1 3.654 0.009 . 2 . 1187 . A 65 SER HB3 . 25402 1 850 . 1 1 75 75 SER C C 13 173.539 0.028 . 1 . 1206 . A 65 SER C . 25402 1 851 . 1 1 75 75 SER CA C 13 57.704 0.043 . 1 . 1060 . A 65 SER CA . 25402 1 852 . 1 1 75 75 SER CB C 13 66.567 0.073 . 1 . 1061 . A 65 SER CB . 25402 1 853 . 1 1 75 75 SER N N 15 116.556 0.06 . 1 . 240 . A 65 SER N . 25402 1 854 . 1 1 76 76 THR H H 1 8.358 0.009 . 1 . 43 . A 66 THR H . 25402 1 855 . 1 1 76 76 THR HA H 1 5.216 0.004 . 1 . 619 . A 66 THR HA . 25402 1 856 . 1 1 76 76 THR HB H 1 3.926 0.005 . 1 . 618 . A 66 THR HB . 25402 1 857 . 1 1 76 76 THR HG21 H 1 1.092 0.005 . 1 . 811 . A 66 THR HG21 . 25402 1 858 . 1 1 76 76 THR HG22 H 1 1.092 0.005 . 1 . 811 . A 66 THR HG22 . 25402 1 859 . 1 1 76 76 THR HG23 H 1 1.092 0.005 . 1 . 811 . A 66 THR HG23 . 25402 1 860 . 1 1 76 76 THR C C 13 173.559 . . 1 . 1489 . A 66 THR C . 25402 1 861 . 1 1 76 76 THR CA C 13 62.082 0.049 . 1 . 343 . A 66 THR CA . 25402 1 862 . 1 1 76 76 THR CB C 13 71.179 0.053 . 1 . 344 . A 66 THR CB . 25402 1 863 . 1 1 76 76 THR CG2 C 13 21.605 0.044 . 1 . 812 . A 66 THR CG2 . 25402 1 864 . 1 1 76 76 THR N N 15 115.896 0.114 . 1 . 44 . A 66 THR N . 25402 1 865 . 1 1 77 77 VAL H H 1 8.348 0.003 . 1 . 213 . A 67 VAL H . 25402 1 866 . 1 1 77 77 VAL HA H 1 4.742 0.018 . 1 . 662 . A 67 VAL HA . 25402 1 867 . 1 1 77 77 VAL HB H 1 1.989 0.004 . 1 . 665 . A 67 VAL HB . 25402 1 868 . 1 1 77 77 VAL HG11 H 1 0.576 0.016 . 2 . 1185 . A 67 VAL HG11 . 25402 1 869 . 1 1 77 77 VAL HG12 H 1 0.576 0.016 . 2 . 1185 . A 67 VAL HG12 . 25402 1 870 . 1 1 77 77 VAL HG13 H 1 0.576 0.016 . 2 . 1185 . A 67 VAL HG13 . 25402 1 871 . 1 1 77 77 VAL HG21 H 1 0.632 0.01 . 2 . 664 . A 67 VAL HG21 . 25402 1 872 . 1 1 77 77 VAL HG22 H 1 0.632 0.01 . 2 . 664 . A 67 VAL HG22 . 25402 1 873 . 1 1 77 77 VAL HG23 H 1 0.632 0.01 . 2 . 664 . A 67 VAL HG23 . 25402 1 874 . 1 1 77 77 VAL C C 13 174.511 0.009 . 1 . 1490 . A 67 VAL C . 25402 1 875 . 1 1 77 77 VAL CA C 13 59.301 0.036 . 1 . 363 . A 67 VAL CA . 25402 1 876 . 1 1 77 77 VAL CB C 13 36.624 0.011 . 1 . 663 . A 67 VAL CB . 25402 1 877 . 1 1 77 77 VAL CG1 C 13 18.225 0.038 . 2 . 1186 . A 67 VAL CG1 . 25402 1 878 . 1 1 77 77 VAL CG2 C 13 21.617 0.042 . 2 . 666 . A 67 VAL CG2 . 25402 1 879 . 1 1 77 77 VAL N N 15 118.688 0.044 . 1 . 214 . A 67 VAL N . 25402 1 880 . 1 1 78 78 ARG H H 1 8.585 0.006 . 1 . 203 . A 68 ARG H . 25402 1 881 . 1 1 78 78 ARG HA H 1 5.624 0.008 . 1 . 1104 . A 68 ARG HA . 25402 1 882 . 1 1 78 78 ARG HB3 H 1 1.539 0.01 . 1 . 1713 . A 68 ARG HB3 . 25402 1 883 . 1 1 78 78 ARG HG2 H 1 1.773 0.018 . 2 . 1183 . A 68 ARG HG2 . 25402 1 884 . 1 1 78 78 ARG HG3 H 1 1.416 0.007 . 2 . 1184 . A 68 ARG HG3 . 25402 1 885 . 1 1 78 78 ARG HD2 H 1 3.160 0.017 . 1 . 1715 . A 68 ARG HD2 . 25402 1 886 . 1 1 78 78 ARG HD3 H 1 3.160 0.017 . 1 . 1716 . A 68 ARG HD3 . 25402 1 887 . 1 1 78 78 ARG C C 13 177.827 0.029 . 1 . 1203 . A 68 ARG C . 25402 1 888 . 1 1 78 78 ARG CA C 13 55.165 0.054 . 1 . 378 . A 68 ARG CA . 25402 1 889 . 1 1 78 78 ARG CB C 13 33.014 0.044 . 1 . 1714 . A 68 ARG CB . 25402 1 890 . 1 1 78 78 ARG CG C 13 28.663 0.07 . 1 . 1105 . A 68 ARG CG . 25402 1 891 . 1 1 78 78 ARG CD C 13 43.606 0.069 . 1 . 1717 . A 68 ARG CD . 25402 1 892 . 1 1 78 78 ARG N N 15 119.347 0.071 . 1 . 204 . A 68 ARG N . 25402 1 893 . 1 1 79 79 ARG H H 1 9.180 0.014 . 1 . 297 . A 69 ARG H . 25402 1 894 . 1 1 79 79 ARG HA H 1 5.095 0.015 . 1 . 1881 . A 69 ARG HA . 25402 1 895 . 1 1 79 79 ARG HB2 H 1 1.953 . . 2 . 1882 . A 69 ARG HB2 . 25402 1 896 . 1 1 79 79 ARG HB3 H 1 1.786 . . 2 . 1883 . A 69 ARG HB3 . 25402 1 897 . 1 1 79 79 ARG HG2 H 1 1.395 . . 1 . 1884 . A 69 ARG HG2 . 25402 1 898 . 1 1 79 79 ARG HG3 H 1 1.395 . . 1 . 1885 . A 69 ARG HG3 . 25402 1 899 . 1 1 79 79 ARG C C 13 175.606 . . 1 . 1524 . A 69 ARG C . 25402 1 900 . 1 1 79 79 ARG CA C 13 52.659 0.1 . 1 . 402 . A 69 ARG CA . 25402 1 901 . 1 1 79 79 ARG N N 15 121.079 0.069 . 1 . 298 . A 69 ARG N . 25402 1 902 . 1 1 80 80 ARG H H 1 9.629 0.007 . 1 . 450 . A 70 ARG H . 25402 1 903 . 1 1 80 80 ARG HA H 1 5.572 0.017 . 1 . 869 . A 70 ARG HA . 25402 1 904 . 1 1 80 80 ARG C C 13 178.669 . . 1 . 1504 . A 70 ARG C . 25402 1 905 . 1 1 80 80 ARG CA C 13 54.286 0.021 . 1 . 538 . A 70 ARG CA . 25402 1 906 . 1 1 80 80 ARG N N 15 120.815 0.082 . 1 . 451 . A 70 ARG N . 25402 1 907 . 1 1 81 81 TYR H H 1 10.195 0.006 . 1 . 529 . A 71 TYR H . 25402 1 908 . 1 1 81 81 TYR HA H 1 4.214 0.019 . 1 . 1181 . A 71 TYR HA . 25402 1 909 . 1 1 81 81 TYR HB2 H 1 3.185 0.023 . 1 . 1720 . A 71 TYR HB2 . 25402 1 910 . 1 1 81 81 TYR HB3 H 1 3.185 0.023 . 1 . 1721 . A 71 TYR HB3 . 25402 1 911 . 1 1 81 81 TYR HD1 H 1 6.823 0.016 . 3 . 1908 . A 71 TYR HD1 . 25402 1 912 . 1 1 81 81 TYR HD2 H 1 6.823 0.016 . 3 . 1908 . A 71 TYR HD2 . 25402 1 913 . 1 1 81 81 TYR HE1 H 1 6.500 0.019 . 3 . 1909 . A 71 TYR HE1 . 25402 1 914 . 1 1 81 81 TYR HE2 H 1 6.500 0.019 . 3 . 1909 . A 71 TYR HE2 . 25402 1 915 . 1 1 81 81 TYR C C 13 178.989 0.029 . 1 . 1503 . A 71 TYR C . 25402 1 916 . 1 1 81 81 TYR CA C 13 64.520 0.058 . 1 . 937 . A 71 TYR CA . 25402 1 917 . 1 1 81 81 TYR CB C 13 38.931 . . 1 . 1182 . A 71 TYR CB . 25402 1 918 . 1 1 81 81 TYR CD1 C 13 132.942 0.047 . 3 . 1911 . A 71 TYR CD1 . 25402 1 919 . 1 1 81 81 TYR CD2 C 13 132.942 0.047 . 3 . 1911 . A 71 TYR CD2 . 25402 1 920 . 1 1 81 81 TYR CE1 C 13 117.897 0.049 . 3 . 1910 . A 71 TYR CE1 . 25402 1 921 . 1 1 81 81 TYR CE2 C 13 117.897 0.049 . 3 . 1910 . A 71 TYR CE2 . 25402 1 922 . 1 1 81 81 TYR N N 15 125.774 0.367 . 1 . 500 . A 71 TYR N . 25402 1 923 . 1 1 82 82 SER H H 1 9.089 0.006 . 1 . 531 . A 72 SER H . 25402 1 924 . 1 1 82 82 SER HA H 1 4.744 0.016 . 1 . 1179 . A 72 SER HA . 25402 1 925 . 1 1 82 82 SER HB2 H 1 4.168 0.009 . 1 . 1719 . A 72 SER HB2 . 25402 1 926 . 1 1 82 82 SER HB3 H 1 4.168 0.009 . 1 . 1718 . A 72 SER HB3 . 25402 1 927 . 1 1 82 82 SER C C 13 178.354 . . 1 . 1523 . A 72 SER C . 25402 1 928 . 1 1 82 82 SER CA C 13 61.481 0.007 . 1 . 936 . A 72 SER CA . 25402 1 929 . 1 1 82 82 SER CB C 13 62.301 . . 1 . 1180 . A 72 SER CB . 25402 1 930 . 1 1 82 82 SER N N 15 113.634 0.061 . 1 . 530 . A 72 SER N . 25402 1 931 . 1 1 83 83 ASP H H 1 8.019 0.042 . 1 . 129 . A 73 ASP H . 25402 1 932 . 1 1 83 83 ASP HA H 1 4.828 0.008 . 1 . 1097 . A 73 ASP HA . 25402 1 933 . 1 1 83 83 ASP HB2 H 1 2.729 0.004 . 2 . 1099 . A 73 ASP HB2 . 25402 1 934 . 1 1 83 83 ASP HB3 H 1 3.417 0.011 . 2 . 1098 . A 73 ASP HB3 . 25402 1 935 . 1 1 83 83 ASP C C 13 179.406 0.024 . 1 . 1520 . A 73 ASP C . 25402 1 936 . 1 1 83 83 ASP CA C 13 58.077 0.009 . 1 . 427 . A 73 ASP CA . 25402 1 937 . 1 1 83 83 ASP CB C 13 42.282 0.027 . 1 . 1096 . A 73 ASP CB . 25402 1 938 . 1 1 83 83 ASP N N 15 123.817 0.082 . 1 . 130 . A 73 ASP N . 25402 1 939 . 1 1 84 84 PHE H H 1 8.151 0.017 . 1 . 385 . A 74 PHE H . 25402 1 940 . 1 1 84 84 PHE HA H 1 3.914 0.003 . 1 . 1722 . A 74 PHE HA . 25402 1 941 . 1 1 84 84 PHE HB2 H 1 3.242 0.017 . 2 . 1723 . A 74 PHE HB2 . 25402 1 942 . 1 1 84 84 PHE HB3 H 1 2.317 0.029 . 2 . 2007 . A 74 PHE HB3 . 25402 1 943 . 1 1 84 84 PHE HD1 H 1 7.191 0.021 . 3 . 1907 . A 74 PHE HD1 . 25402 1 944 . 1 1 84 84 PHE HD2 H 1 7.191 0.021 . 3 . 1907 . A 74 PHE HD2 . 25402 1 945 . 1 1 84 84 PHE C C 13 177.961 0.006 . 1 . 1521 . A 74 PHE C . 25402 1 946 . 1 1 84 84 PHE CA C 13 61.695 0.066 . 1 . 935 . A 74 PHE CA . 25402 1 947 . 1 1 84 84 PHE CB C 13 37.910 0.038 . 1 . 1178 . A 74 PHE CB . 25402 1 948 . 1 1 84 84 PHE N N 15 120.103 0.118 . 1 . 386 . A 74 PHE N . 25402 1 949 . 1 1 85 85 GLU H H 1 7.466 0.031 . 1 . 219 . A 75 GLU H . 25402 1 950 . 1 1 85 85 GLU HA H 1 3.757 0.008 . 1 . 771 . A 75 GLU HA . 25402 1 951 . 1 1 85 85 GLU HB2 H 1 2.248 0.01 . 2 . 772 . A 75 GLU HB2 . 25402 1 952 . 1 1 85 85 GLU HB3 H 1 1.992 0.004 . 2 . 773 . A 75 GLU HB3 . 25402 1 953 . 1 1 85 85 GLU HG2 H 1 1.996 0.005 . 2 . 1159 . A 75 GLU HG2 . 25402 1 954 . 1 1 85 85 GLU HG3 H 1 1.851 0.009 . 2 . 915 . A 75 GLU HG3 . 25402 1 955 . 1 1 85 85 GLU C C 13 179.134 0.028 . 1 . 1522 . A 75 GLU C . 25402 1 956 . 1 1 85 85 GLU CA C 13 59.811 0.029 . 1 . 910 . A 75 GLU CA . 25402 1 957 . 1 1 85 85 GLU CB C 13 29.686 0.045 . 1 . 770 . A 75 GLU CB . 25402 1 958 . 1 1 85 85 GLU CG C 13 37.599 0.05 . 1 . 916 . A 75 GLU CG . 25402 1 959 . 1 1 85 85 GLU N N 15 118.613 0.046 . 1 . 220 . A 75 GLU N . 25402 1 960 . 1 1 86 86 TRP H H 1 8.025 0.01 . 1 . 171 . A 76 TRP H . 25402 1 961 . 1 1 86 86 TRP HA H 1 4.183 0.012 . 1 . 1174 . A 76 TRP HA . 25402 1 962 . 1 1 86 86 TRP HB2 H 1 3.834 0.008 . 2 . 1176 . A 76 TRP HB2 . 25402 1 963 . 1 1 86 86 TRP HB3 H 1 3.491 0.016 . 2 . 1177 . A 76 TRP HB3 . 25402 1 964 . 1 1 86 86 TRP HD1 H 1 7.446 0.01 . 1 . 858 . A 76 TRP HD1 . 25402 1 965 . 1 1 86 86 TRP HE1 H 1 10.732 0.007 . 1 . 901 . A 76 TRP HE1 . 25402 1 966 . 1 1 86 86 TRP HZ2 H 1 7.126 0.027 . 1 . 860 . A 76 TRP HZ2 . 25402 1 967 . 1 1 86 86 TRP HH2 H 1 6.717 0.012 . 1 . 861 . A 76 TRP HH2 . 25402 1 968 . 1 1 86 86 TRP C C 13 177.146 . . 1 . 1519 . A 76 TRP C . 25402 1 969 . 1 1 86 86 TRP CA C 13 61.983 0.067 . 1 . 934 . A 76 TRP CA . 25402 1 970 . 1 1 86 86 TRP CB C 13 27.581 0.098 . 1 . 1175 . A 76 TRP CB . 25402 1 971 . 1 1 86 86 TRP CD1 C 13 127.720 0.13 . 1 . 859 . A 76 TRP CD1 . 25402 1 972 . 1 1 86 86 TRP CZ2 C 13 114.945 0.021 . 1 . 2412 . A 76 TRP CZ2 . 25402 1 973 . 1 1 86 86 TRP CH2 C 13 128.223 0.03 . 1 . 1951 . A 76 TRP CH2 . 25402 1 974 . 1 1 86 86 TRP N N 15 121.748 0.041 . 1 . 172 . A 76 TRP N . 25402 1 975 . 1 1 86 86 TRP NE1 N 15 131.634 0.035 . 1 . 902 . A 76 TRP NE1 . 25402 1 976 . 1 1 87 87 LEU H H 1 8.013 0.01 . 1 . 197 . A 77 LEU H . 25402 1 977 . 1 1 87 87 LEU HA H 1 3.154 0.007 . 1 . 667 . A 77 LEU HA . 25402 1 978 . 1 1 87 87 LEU HB2 H 1 1.662 0.009 . 2 . 668 . A 77 LEU HB2 . 25402 1 979 . 1 1 87 87 LEU HB3 H 1 1.196 0.011 . 2 . 669 . A 77 LEU HB3 . 25402 1 980 . 1 1 87 87 LEU HG H 1 1.195 0.003 . 1 . 2005 . A 77 LEU HG . 25402 1 981 . 1 1 87 87 LEU HD11 H 1 0.004 0.006 . 2 . 670 . A 77 LEU HD11 . 25402 1 982 . 1 1 87 87 LEU HD12 H 1 0.004 0.006 . 2 . 670 . A 77 LEU HD12 . 25402 1 983 . 1 1 87 87 LEU HD13 H 1 0.004 0.006 . 2 . 670 . A 77 LEU HD13 . 25402 1 984 . 1 1 87 87 LEU HD21 H 1 0.597 0.005 . 2 . 2003 . A 77 LEU HD21 . 25402 1 985 . 1 1 87 87 LEU HD22 H 1 0.597 0.005 . 2 . 2003 . A 77 LEU HD22 . 25402 1 986 . 1 1 87 87 LEU HD23 H 1 0.597 0.005 . 2 . 2003 . A 77 LEU HD23 . 25402 1 987 . 1 1 87 87 LEU C C 13 177.622 . . 1 . 1518 . A 77 LEU C . 25402 1 988 . 1 1 87 87 LEU CA C 13 57.762 0.039 . 1 . 885 . A 77 LEU CA . 25402 1 989 . 1 1 87 87 LEU CB C 13 41.164 0.036 . 1 . 537 . A 77 LEU CB . 25402 1 990 . 1 1 87 87 LEU CG C 13 26.746 0.05 . 1 . 2006 . A 77 LEU CG . 25402 1 991 . 1 1 87 87 LEU CD1 C 13 24.967 0.044 . 2 . 671 . A 77 LEU CD1 . 25402 1 992 . 1 1 87 87 LEU CD2 C 13 23.075 0.05 . 2 . 2004 . A 77 LEU CD2 . 25402 1 993 . 1 1 87 87 LEU N N 15 119.662 0.118 . 1 . 198 . A 77 LEU N . 25402 1 994 . 1 1 88 88 ARG H H 1 8.209 0.016 . 1 . 227 . A 78 ARG H . 25402 1 995 . 1 1 88 88 ARG HA H 1 3.649 0.006 . 1 . 856 . A 78 ARG HA . 25402 1 996 . 1 1 88 88 ARG HB2 H 1 1.680 0.005 . 2 . 1913 . A 78 ARG HB2 . 25402 1 997 . 1 1 88 88 ARG HB3 H 1 1.982 0.007 . 2 . 1914 . A 78 ARG HB3 . 25402 1 998 . 1 1 88 88 ARG HG2 H 1 1.534 0.005 . 2 . 1912 . A 78 ARG HG2 . 25402 1 999 . 1 1 88 88 ARG HG3 H 1 1.716 0.003 . 2 . 1886 . A 78 ARG HG3 . 25402 1 1000 . 1 1 88 88 ARG HD2 H 1 2.974 0.011 . 2 . 2010 . A 78 ARG HD2 . 25402 1 1001 . 1 1 88 88 ARG HD3 H 1 3.165 0.005 . 2 . 2008 . A 78 ARG HD3 . 25402 1 1002 . 1 1 88 88 ARG C C 13 177.476 0.02 . 1 . 1517 . A 78 ARG C . 25402 1 1003 . 1 1 88 88 ARG CA C 13 60.732 0.038 . 1 . 884 . A 78 ARG CA . 25402 1 1004 . 1 1 88 88 ARG CB C 13 29.723 0.05 . 1 . 488 . A 78 ARG CB . 25402 1 1005 . 1 1 88 88 ARG CG C 13 28.070 0.05 . 1 . 1887 . A 78 ARG CG . 25402 1 1006 . 1 1 88 88 ARG CD C 13 43.265 0.048 . 1 . 2009 . A 78 ARG CD . 25402 1 1007 . 1 1 88 88 ARG N N 15 117.319 0.038 . 1 . 228 . A 78 ARG N . 25402 1 1008 . 1 1 89 89 SER H H 1 7.907 0.007 . 1 . 58 . A 79 SER H . 25402 1 1009 . 1 1 89 89 SER HA H 1 4.189 0.01 . 1 . 673 . A 79 SER HA . 25402 1 1010 . 1 1 89 89 SER HB2 H 1 3.924 0.006 . 1 . 1173 . A 79 SER HB2 . 25402 1 1011 . 1 1 89 89 SER HB3 H 1 3.924 0.006 . 1 . 674 . A 79 SER HB3 . 25402 1 1012 . 1 1 89 89 SER C C 13 177.380 0.007 . 1 . 1516 . A 79 SER C . 25402 1 1013 . 1 1 89 89 SER CA C 13 61.587 0.052 . 1 . 325 . A 79 SER CA . 25402 1 1014 . 1 1 89 89 SER CB C 13 62.805 0.078 . 1 . 672 . A 79 SER CB . 25402 1 1015 . 1 1 89 89 SER N N 15 112.890 0.046 . 1 . 59 . A 79 SER N . 25402 1 1016 . 1 1 90 90 GLU H H 1 8.102 0.006 . 1 . 169 . A 80 GLU H . 25402 1 1017 . 1 1 90 90 GLU HA H 1 3.756 0.01 . 1 . 1172 . A 80 GLU HA . 25402 1 1018 . 1 1 90 90 GLU HB2 H 1 1.693 0.007 . 2 . 1727 . A 80 GLU HB2 . 25402 1 1019 . 1 1 90 90 GLU HB3 H 1 1.366 0.011 . 2 . 1728 . A 80 GLU HB3 . 25402 1 1020 . 1 1 90 90 GLU HG2 H 1 1.102 0.007 . 2 . 1725 . A 80 GLU HG2 . 25402 1 1021 . 1 1 90 90 GLU HG3 H 1 1.299 0.012 . 2 . 1724 . A 80 GLU HG3 . 25402 1 1022 . 1 1 90 90 GLU C C 13 179.478 0.027 . 1 . 1452 . A 80 GLU C . 25402 1 1023 . 1 1 90 90 GLU CA C 13 58.670 0.037 . 1 . 482 . A 80 GLU CA . 25402 1 1024 . 1 1 90 90 GLU CB C 13 31.113 0.035 . 1 . 1915 . A 80 GLU CB . 25402 1 1025 . 1 1 90 90 GLU CG C 13 35.444 0.052 . 1 . 1726 . A 80 GLU CG . 25402 1 1026 . 1 1 90 90 GLU N N 15 121.788 0.05 . 1 . 170 . A 80 GLU N . 25402 1 1027 . 1 1 91 91 LEU H H 1 8.257 0.014 . 1 . 215 . A 81 LEU H . 25402 1 1028 . 1 1 91 91 LEU HA H 1 3.800 0.007 . 1 . 675 . A 81 LEU HA . 25402 1 1029 . 1 1 91 91 LEU HB2 H 1 1.009 0.007 . 2 . 1455 . A 81 LEU HB2 . 25402 1 1030 . 1 1 91 91 LEU HB3 H 1 1.818 0.006 . 2 . 1456 . A 81 LEU HB3 . 25402 1 1031 . 1 1 91 91 LEU HG H 1 1.702 0.006 . 1 . 1458 . A 81 LEU HG . 25402 1 1032 . 1 1 91 91 LEU HD11 H 1 0.576 0.011 . 2 . 1457 . A 81 LEU HD11 . 25402 1 1033 . 1 1 91 91 LEU HD12 H 1 0.576 0.011 . 2 . 1457 . A 81 LEU HD12 . 25402 1 1034 . 1 1 91 91 LEU HD13 H 1 0.576 0.011 . 2 . 1457 . A 81 LEU HD13 . 25402 1 1035 . 1 1 91 91 LEU HD21 H 1 0.633 0.012 . 2 . 1460 . A 81 LEU HD21 . 25402 1 1036 . 1 1 91 91 LEU HD22 H 1 0.633 0.012 . 2 . 1460 . A 81 LEU HD22 . 25402 1 1037 . 1 1 91 91 LEU HD23 H 1 0.633 0.012 . 2 . 1460 . A 81 LEU HD23 . 25402 1 1038 . 1 1 91 91 LEU C C 13 179.956 0.033 . 1 . 1453 . A 81 LEU C . 25402 1 1039 . 1 1 91 91 LEU CA C 13 57.400 0.042 . 1 . 364 . A 81 LEU CA . 25402 1 1040 . 1 1 91 91 LEU CB C 13 42.327 0.07 . 1 . 481 . A 81 LEU CB . 25402 1 1041 . 1 1 91 91 LEU CG C 13 26.579 0.088 . 1 . 1459 . A 81 LEU CG . 25402 1 1042 . 1 1 91 91 LEU CD1 C 13 27.080 0.069 . 2 . 1454 . A 81 LEU CD1 . 25402 1 1043 . 1 1 91 91 LEU CD2 C 13 23.362 0.07 . 2 . 1461 . A 81 LEU CD2 . 25402 1 1044 . 1 1 91 91 LEU N N 15 118.638 0.069 . 1 . 216 . A 81 LEU N . 25402 1 1045 . 1 1 92 92 GLU H H 1 8.209 0.007 . 1 . 33 . A 82 GLU H . 25402 1 1046 . 1 1 92 92 GLU HA H 1 4.095 0.005 . 1 . 676 . A 82 GLU HA . 25402 1 1047 . 1 1 92 92 GLU HB2 H 1 2.061 0.018 . 2 . 678 . A 82 GLU HB2 . 25402 1 1048 . 1 1 92 92 GLU HB3 H 1 2.004 0.016 . 2 . 679 . A 82 GLU HB3 . 25402 1 1049 . 1 1 92 92 GLU HG2 H 1 2.408 0.006 . 2 . 680 . A 82 GLU HG2 . 25402 1 1050 . 1 1 92 92 GLU HG3 H 1 2.171 0.009 . 2 . 681 . A 82 GLU HG3 . 25402 1 1051 . 1 1 92 92 GLU C C 13 178.251 0.018 . 1 . 1511 . A 82 GLU C . 25402 1 1052 . 1 1 92 92 GLU CA C 13 59.030 0.054 . 1 . 479 . A 82 GLU CA . 25402 1 1053 . 1 1 92 92 GLU CB C 13 30.082 0.075 . 1 . 371 . A 82 GLU CB . 25402 1 1054 . 1 1 92 92 GLU CG C 13 37.321 0.049 . 1 . 677 . A 82 GLU CG . 25402 1 1055 . 1 1 92 92 GLU N N 15 118.829 0.038 . 1 . 34 . A 82 GLU N . 25402 1 1056 . 1 1 93 93 ARG H H 1 7.518 0.008 . 1 . 225 . A 83 ARG H . 25402 1 1057 . 1 1 93 93 ARG HA H 1 4.049 0.005 . 1 . 682 . A 83 ARG HA . 25402 1 1058 . 1 1 93 93 ARG HB2 H 1 1.891 0.002 . 2 . 1168 . A 83 ARG HB2 . 25402 1 1059 . 1 1 93 93 ARG HB3 H 1 1.784 0.011 . 2 . 1170 . A 83 ARG HB3 . 25402 1 1060 . 1 1 93 93 ARG HG2 H 1 1.722 0.004 . 2 . 1731 . A 83 ARG HG2 . 25402 1 1061 . 1 1 93 93 ARG HG3 H 1 1.493 0.006 . 2 . 1729 . A 83 ARG HG3 . 25402 1 1062 . 1 1 93 93 ARG HD2 H 1 3.219 0.008 . 2 . 1734 . A 83 ARG HD2 . 25402 1 1063 . 1 1 93 93 ARG HD3 H 1 3.225 0.019 . 2 . 1732 . A 83 ARG HD3 . 25402 1 1064 . 1 1 93 93 ARG C C 13 178.406 0.007 . 1 . 1389 . A 83 ARG C . 25402 1 1065 . 1 1 93 93 ARG CA C 13 59.017 0.031 . 1 . 1171 . A 83 ARG CA . 25402 1 1066 . 1 1 93 93 ARG CB C 13 30.917 0.018 . 1 . 1169 . A 83 ARG CB . 25402 1 1067 . 1 1 93 93 ARG CG C 13 28.355 0.055 . 1 . 1730 . A 83 ARG CG . 25402 1 1068 . 1 1 93 93 ARG CD C 13 43.088 0.032 . 1 . 1733 . A 83 ARG CD . 25402 1 1069 . 1 1 93 93 ARG N N 15 117.745 0.033 . 1 . 226 . A 83 ARG N . 25402 1 1070 . 1 1 94 94 GLU H H 1 8.013 0.01 . 1 . 253 . A 84 GLU H . 25402 1 1071 . 1 1 94 94 GLU HA H 1 4.288 0.008 . 1 . 1167 . A 84 GLU HA . 25402 1 1072 . 1 1 94 94 GLU HB2 H 1 1.756 0.01 . 2 . 1735 . A 84 GLU HB2 . 25402 1 1073 . 1 1 94 94 GLU HB3 H 1 2.209 0.012 . 2 . 1738 . A 84 GLU HB3 . 25402 1 1074 . 1 1 94 94 GLU HG2 H 1 2.222 0.006 . 2 . 1740 . A 84 GLU HG2 . 25402 1 1075 . 1 1 94 94 GLU HG3 H 1 2.286 0.005 . 2 . 1739 . A 84 GLU HG3 . 25402 1 1076 . 1 1 94 94 GLU C C 13 177.097 0.002 . 1 . 1390 . A 84 GLU C . 25402 1 1077 . 1 1 94 94 GLU CA C 13 56.727 0.052 . 1 . 886 . A 84 GLU CA . 25402 1 1078 . 1 1 94 94 GLU CB C 13 30.693 0.029 . 1 . 1736 . A 84 GLU CB . 25402 1 1079 . 1 1 94 94 GLU CG C 13 35.941 0.044 . 1 . 1737 . A 84 GLU CG . 25402 1 1080 . 1 1 94 94 GLU N N 15 114.642 0.065 . 1 . 254 . A 84 GLU N . 25402 1 1081 . 1 1 95 95 SER H H 1 7.964 0.005 . 1 . 53 . A 85 SER H . 25402 1 1082 . 1 1 95 95 SER HA H 1 4.593 0.008 . 1 . 545 . A 85 SER HA . 25402 1 1083 . 1 1 95 95 SER HB2 H 1 3.753 0.028 . 2 . 544 . A 85 SER HB2 . 25402 1 1084 . 1 1 95 95 SER HB3 H 1 3.832 0.03 . 2 . 543 . A 85 SER HB3 . 25402 1 1085 . 1 1 95 95 SER C C 13 174.547 . . 1 . 1510 . A 85 SER C . 25402 1 1086 . 1 1 95 95 SER CA C 13 58.540 0.076 . 1 . 327 . A 85 SER CA . 25402 1 1087 . 1 1 95 95 SER CB C 13 65.555 0.05 . 1 . 328 . A 85 SER CB . 25402 1 1088 . 1 1 95 95 SER N N 15 114.055 0.041 . 1 . 54 . A 85 SER N . 25402 1 1089 . 1 1 96 96 LYS H H 1 8.225 0.008 . 1 . 524 . A 86 LYS H . 25402 1 1090 . 1 1 96 96 LYS HA H 1 4.265 0.004 . 1 . 1741 . A 86 LYS HA . 25402 1 1091 . 1 1 96 96 LYS HB2 H 1 1.732 0.009 . 2 . 1744 . A 86 LYS HB2 . 25402 1 1092 . 1 1 96 96 LYS HB3 H 1 1.944 0.009 . 2 . 1742 . A 86 LYS HB3 . 25402 1 1093 . 1 1 96 96 LYS HG2 H 1 1.340 0.008 . 2 . 1747 . A 86 LYS HG2 . 25402 1 1094 . 1 1 96 96 LYS HG3 H 1 1.412 0.002 . 2 . 1746 . A 86 LYS HG3 . 25402 1 1095 . 1 1 96 96 LYS HD2 H 1 1.601 0.002 . 2 . 1750 . A 86 LYS HD2 . 25402 1 1096 . 1 1 96 96 LYS HD3 H 1 1.639 0.003 . 2 . 1748 . A 86 LYS HD3 . 25402 1 1097 . 1 1 96 96 LYS HE2 H 1 2.968 0.009 . 1 . 1752 . A 86 LYS HE2 . 25402 1 1098 . 1 1 96 96 LYS HE3 H 1 2.968 0.009 . 1 . 1751 . A 86 LYS HE3 . 25402 1 1099 . 1 1 96 96 LYS C C 13 176.544 . . 1 . 1506 . A 86 LYS C . 25402 1 1100 . 1 1 96 96 LYS CA C 13 56.140 0.028 . 1 . 532 . A 86 LYS CA . 25402 1 1101 . 1 1 96 96 LYS CB C 13 31.268 0.062 . 1 . 1743 . A 86 LYS CB . 25402 1 1102 . 1 1 96 96 LYS CG C 13 24.909 0.039 . 1 . 1745 . A 86 LYS CG . 25402 1 1103 . 1 1 96 96 LYS CD C 13 28.676 0.054 . 1 . 1749 . A 86 LYS CD . 25402 1 1104 . 1 1 96 96 LYS CE C 13 42.274 0.011 . 1 . 1753 . A 86 LYS CE . 25402 1 1105 . 1 1 96 96 LYS N N 15 118.008 0.07 . 1 . 525 . A 86 LYS N . 25402 1 1106 . 1 1 97 97 VAL H H 1 7.605 0.011 . 1 . 37 . A 87 VAL H . 25402 1 1107 . 1 1 97 97 VAL HA H 1 3.701 0.011 . 1 . 683 . A 87 VAL HA . 25402 1 1108 . 1 1 97 97 VAL HB H 1 1.673 0.006 . 1 . 684 . A 87 VAL HB . 25402 1 1109 . 1 1 97 97 VAL HG11 H 1 0.451 0.003 . 1 . 1995 . A 87 VAL HG11 . 25402 1 1110 . 1 1 97 97 VAL HG12 H 1 0.451 0.003 . 1 . 1995 . A 87 VAL HG12 . 25402 1 1111 . 1 1 97 97 VAL HG13 H 1 0.451 0.003 . 1 . 1995 . A 87 VAL HG13 . 25402 1 1112 . 1 1 97 97 VAL HG21 H 1 0.458 0.006 . 1 . 685 . A 87 VAL HG21 . 25402 1 1113 . 1 1 97 97 VAL HG22 H 1 0.458 0.006 . 1 . 685 . A 87 VAL HG22 . 25402 1 1114 . 1 1 97 97 VAL HG23 H 1 0.458 0.006 . 1 . 685 . A 87 VAL HG23 . 25402 1 1115 . 1 1 97 97 VAL C C 13 174.845 0.017 . 1 . 1507 . A 87 VAL C . 25402 1 1116 . 1 1 97 97 VAL CA C 13 61.315 0.026 . 1 . 361 . A 87 VAL CA . 25402 1 1117 . 1 1 97 97 VAL CB C 13 33.146 0.029 . 1 . 523 . A 87 VAL CB . 25402 1 1118 . 1 1 97 97 VAL CG1 C 13 21.042 0.085 . 1 . 1996 . A 87 VAL CG1 . 25402 1 1119 . 1 1 97 97 VAL CG2 C 13 21.193 0.118 . 1 . 686 . A 87 VAL CG2 . 25402 1 1120 . 1 1 97 97 VAL N N 15 118.511 0.069 . 1 . 38 . A 87 VAL N . 25402 1 1121 . 1 1 98 98 VAL H H 1 7.835 0.005 . 1 . 514 . A 88 VAL H . 25402 1 1122 . 1 1 98 98 VAL HA H 1 3.909 0.004 . 1 . 689 . A 88 VAL HA . 25402 1 1123 . 1 1 98 98 VAL HB H 1 1.892 0.005 . 1 . 690 . A 88 VAL HB . 25402 1 1124 . 1 1 98 98 VAL HG11 H 1 0.917 0.009 . 2 . 1755 . A 88 VAL HG11 . 25402 1 1125 . 1 1 98 98 VAL HG12 H 1 0.917 0.009 . 2 . 1755 . A 88 VAL HG12 . 25402 1 1126 . 1 1 98 98 VAL HG13 H 1 0.917 0.009 . 2 . 1755 . A 88 VAL HG13 . 25402 1 1127 . 1 1 98 98 VAL HG21 H 1 0.782 0.004 . 2 . 1754 . A 88 VAL HG21 . 25402 1 1128 . 1 1 98 98 VAL HG22 H 1 0.782 0.004 . 2 . 1754 . A 88 VAL HG22 . 25402 1 1129 . 1 1 98 98 VAL HG23 H 1 0.782 0.004 . 2 . 1754 . A 88 VAL HG23 . 25402 1 1130 . 1 1 98 98 VAL C C 13 176.002 0.01 . 1 . 1392 . A 88 VAL C . 25402 1 1131 . 1 1 98 98 VAL CA C 13 62.619 0.036 . 1 . 516 . A 88 VAL CA . 25402 1 1132 . 1 1 98 98 VAL CB C 13 31.028 0.076 . 1 . 688 . A 88 VAL CB . 25402 1 1133 . 1 1 98 98 VAL CG1 C 13 21.101 0.036 . 2 . 691 . A 88 VAL CG1 . 25402 1 1134 . 1 1 98 98 VAL CG2 C 13 21.008 0.028 . 2 . 692 . A 88 VAL CG2 . 25402 1 1135 . 1 1 98 98 VAL N N 15 125.901 0.045 . 1 . 515 . A 88 VAL N . 25402 1 1136 . 1 1 99 99 VAL H H 1 8.593 0.005 . 1 . 3 . A 89 VAL H . 25402 1 1137 . 1 1 99 99 VAL HA H 1 4.257 0.007 . 1 . 693 . A 89 VAL HA . 25402 1 1138 . 1 1 99 99 VAL HB H 1 1.996 0.006 . 1 . 694 . A 89 VAL HB . 25402 1 1139 . 1 1 99 99 VAL HG11 H 1 0.849 0.008 . 2 . 1229 . A 89 VAL HG11 . 25402 1 1140 . 1 1 99 99 VAL HG12 H 1 0.849 0.008 . 2 . 1229 . A 89 VAL HG12 . 25402 1 1141 . 1 1 99 99 VAL HG13 H 1 0.849 0.008 . 2 . 1229 . A 89 VAL HG13 . 25402 1 1142 . 1 1 99 99 VAL HG21 H 1 1.024 0.005 . 2 . 696 . A 89 VAL HG21 . 25402 1 1143 . 1 1 99 99 VAL HG22 H 1 1.024 0.005 . 2 . 696 . A 89 VAL HG22 . 25402 1 1144 . 1 1 99 99 VAL HG23 H 1 1.024 0.005 . 2 . 696 . A 89 VAL HG23 . 25402 1 1145 . 1 1 99 99 VAL C C 13 174.202 . . 1 . 1509 . A 89 VAL C . 25402 1 1146 . 1 1 99 99 VAL CA C 13 59.056 0.062 . 1 . 441 . A 89 VAL CA . 25402 1 1147 . 1 1 99 99 VAL CB C 13 32.551 0.031 . 1 . 442 . A 89 VAL CB . 25402 1 1148 . 1 1 99 99 VAL CG1 C 13 21.608 0.019 . 2 . 1228 . A 89 VAL CG1 . 25402 1 1149 . 1 1 99 99 VAL CG2 C 13 22.902 0.041 . 2 . 695 . A 89 VAL CG2 . 25402 1 1150 . 1 1 99 99 VAL N N 15 128.399 0.05 . 1 . 4 . A 89 VAL N . 25402 1 1151 . 1 1 100 100 PRO HA H 1 4.746 . . 1 . 1756 . A 90 PRO HA . 25402 1 1152 . 1 1 100 100 PRO HB2 H 1 2.462 0.003 . 2 . 1232 . A 90 PRO HB2 . 25402 1 1153 . 1 1 100 100 PRO HB3 H 1 2.038 0.012 . 2 . 1234 . A 90 PRO HB3 . 25402 1 1154 . 1 1 100 100 PRO HG2 H 1 1.839 0.015 . 2 . 1236 . A 90 PRO HG2 . 25402 1 1155 . 1 1 100 100 PRO HG3 H 1 1.863 0.01 . 2 . 1235 . A 90 PRO HG3 . 25402 1 1156 . 1 1 100 100 PRO HD2 H 1 3.788 0.008 . 2 . 863 . A 90 PRO HD2 . 25402 1 1157 . 1 1 100 100 PRO HD3 H 1 3.237 0.007 . 2 . 864 . A 90 PRO HD3 . 25402 1 1158 . 1 1 100 100 PRO CA C 13 61.876 . . 1 . 1757 . A 90 PRO CA . 25402 1 1159 . 1 1 100 100 PRO CB C 13 30.646 0.056 . 1 . 1233 . A 90 PRO CB . 25402 1 1160 . 1 1 100 100 PRO CG C 13 27.128 0.081 . 1 . 1230 . A 90 PRO CG . 25402 1 1161 . 1 1 100 100 PRO CD C 13 50.762 0.047 . 1 . 862 . A 90 PRO CD . 25402 1 1162 . 1 1 101 101 PRO HA H 1 4.380 0.005 . 1 . 1237 . A 91 PRO HA . 25402 1 1163 . 1 1 101 101 PRO HB2 H 1 1.824 0.005 . 2 . 1240 . A 91 PRO HB2 . 25402 1 1164 . 1 1 101 101 PRO HB3 H 1 2.237 0.005 . 2 . 1241 . A 91 PRO HB3 . 25402 1 1165 . 1 1 101 101 PRO HG2 H 1 2.004 0.006 . 1 . 2501 . A 91 PRO HG2 . 25402 1 1166 . 1 1 101 101 PRO HG3 H 1 2.004 0.006 . 1 . 1758 . A 91 PRO HG3 . 25402 1 1167 . 1 1 101 101 PRO HD2 H 1 3.744 0.018 . 2 . 1760 . A 91 PRO HD2 . 25402 1 1168 . 1 1 101 101 PRO HD3 H 1 3.618 0.002 . 2 . 2499 . A 91 PRO HD3 . 25402 1 1169 . 1 1 101 101 PRO C C 13 177.262 . . 1 . 1200 . A 91 PRO C . 25402 1 1170 . 1 1 101 101 PRO CA C 13 62.577 0.058 . 1 . 1238 . A 91 PRO CA . 25402 1 1171 . 1 1 101 101 PRO CB C 13 32.062 0.026 . 1 . 1239 . A 91 PRO CB . 25402 1 1172 . 1 1 101 101 PRO CG C 13 27.329 0.002 . 1 . 1759 . A 91 PRO CG . 25402 1 1173 . 1 1 101 101 PRO CD C 13 50.210 0.011 . 1 . 1761 . A 91 PRO CD . 25402 1 1174 . 1 1 102 102 LEU H H 1 8.269 0.005 . 1 . 167 . A 92 LEU H . 25402 1 1175 . 1 1 102 102 LEU HA H 1 4.061 0.008 . 1 . 1163 . A 92 LEU HA . 25402 1 1176 . 1 1 102 102 LEU HB2 H 1 1.344 0.007 . 2 . 1225 . A 92 LEU HB2 . 25402 1 1177 . 1 1 102 102 LEU HB3 H 1 1.265 0.019 . 2 . 1227 . A 92 LEU HB3 . 25402 1 1178 . 1 1 102 102 LEU HG H 1 1.057 0.011 . 1 . 1161 . A 92 LEU HG . 25402 1 1179 . 1 1 102 102 LEU HD11 H 1 0.226 0.009 . 2 . 774 . A 92 LEU HD11 . 25402 1 1180 . 1 1 102 102 LEU HD12 H 1 0.226 0.009 . 2 . 774 . A 92 LEU HD12 . 25402 1 1181 . 1 1 102 102 LEU HD13 H 1 0.226 0.009 . 2 . 774 . A 92 LEU HD13 . 25402 1 1182 . 1 1 102 102 LEU HD21 H 1 -0.216 0.01 . 2 . 857 . A 92 LEU HD21 . 25402 1 1183 . 1 1 102 102 LEU HD22 H 1 -0.216 0.01 . 2 . 857 . A 92 LEU HD22 . 25402 1 1184 . 1 1 102 102 LEU HD23 H 1 -0.216 0.01 . 2 . 857 . A 92 LEU HD23 . 25402 1 1185 . 1 1 102 102 LEU C C 13 175.861 . . 1 . 1462 . A 92 LEU C . 25402 1 1186 . 1 1 102 102 LEU CA C 13 52.591 0.066 . 1 . 1165 . A 92 LEU CA . 25402 1 1187 . 1 1 102 102 LEU CB C 13 41.993 0.042 . 1 . 1226 . A 92 LEU CB . 25402 1 1188 . 1 1 102 102 LEU CG C 13 27.329 0.051 . 1 . 1162 . A 92 LEU CG . 25402 1 1189 . 1 1 102 102 LEU CD1 C 13 23.443 0.048 . 2 . 1164 . A 92 LEU CD1 . 25402 1 1190 . 1 1 102 102 LEU CD2 C 13 25.014 0.047 . 2 . 1160 . A 92 LEU CD2 . 25402 1 1191 . 1 1 102 102 LEU N N 15 121.834 0.087 . 1 . 168 . A 92 LEU N . 25402 1 1192 . 1 1 103 103 PRO HA H 1 4.448 0.013 . 1 . 1052 . A 93 PRO HA . 25402 1 1193 . 1 1 103 103 PRO HB2 H 1 2.049 0.011 . 2 . 1686 . A 93 PRO HB2 . 25402 1 1194 . 1 1 103 103 PRO HB3 H 1 2.264 0.011 . 2 . 1687 . A 93 PRO HB3 . 25402 1 1195 . 1 1 103 103 PRO HG2 H 1 1.900 0.007 . 1 . 1691 . A 93 PRO HG2 . 25402 1 1196 . 1 1 103 103 PRO HG3 H 1 1.900 0.007 . 1 . 1690 . A 93 PRO HG3 . 25402 1 1197 . 1 1 103 103 PRO HD2 H 1 3.246 0.006 . 2 . 1762 . A 93 PRO HD2 . 25402 1 1198 . 1 1 103 103 PRO HD3 H 1 3.419 0.008 . 2 . 1763 . A 93 PRO HD3 . 25402 1 1199 . 1 1 103 103 PRO C C 13 177.263 . . 1 . 1891 . A 93 PRO C . 25402 1 1200 . 1 1 103 103 PRO CA C 13 63.260 0.055 . 1 . 1051 . A 93 PRO CA . 25402 1 1201 . 1 1 103 103 PRO CB C 13 31.723 0.022 . 1 . 1050 . A 93 PRO CB . 25402 1 1202 . 1 1 103 103 PRO CG C 13 27.639 0.054 . 1 . 1689 . A 93 PRO CG . 25402 1 1203 . 1 1 103 103 PRO CD C 13 49.764 0.03 . 1 . 1764 . A 93 PRO CD . 25402 1 1204 . 1 1 104 104 GLY H H 1 8.285 0.008 . 1 . 872 . A 94 GLY H . 25402 1 1205 . 1 1 104 104 GLY HA2 H 1 3.561 0.006 . 2 . 1890 . A 94 GLY HA2 . 25402 1 1206 . 1 1 104 104 GLY HA3 H 1 3.660 0.008 . 2 . 1889 . A 94 GLY HA3 . 25402 1 1207 . 1 1 104 104 GLY C C 13 174.471 . . 1 . 1892 . A 94 GLY C . 25402 1 1208 . 1 1 104 104 GLY CA C 13 46.159 0.059 . 1 . 1888 . A 94 GLY CA . 25402 1 1209 . 1 1 104 104 GLY N N 15 109.079 0.115 . 1 . 873 . A 94 GLY N . 25402 1 1210 . 1 1 105 105 LYS HA H 1 4.109 0.004 . 1 . 1916 . A 95 LYS HA . 25402 1 1211 . 1 1 105 105 LYS HB2 H 1 1.664 0.01 . 2 . 1918 . A 95 LYS HB2 . 25402 1 1212 . 1 1 105 105 LYS HB3 H 1 1.742 0.007 . 2 . 1917 . A 95 LYS HB3 . 25402 1 1213 . 1 1 105 105 LYS HG2 H 1 1.364 0.005 . 2 . 1921 . A 95 LYS HG2 . 25402 1 1214 . 1 1 105 105 LYS HG3 H 1 1.282 0.003 . 2 . 1919 . A 95 LYS HG3 . 25402 1 1215 . 1 1 105 105 LYS HD2 H 1 1.643 0.001 . 1 . 1923 . A 95 LYS HD2 . 25402 1 1216 . 1 1 105 105 LYS HD3 H 1 1.643 0.001 . 1 . 1922 . A 95 LYS HD3 . 25402 1 1217 . 1 1 105 105 LYS HE2 H 1 2.939 0.002 . 1 . 1926 . A 95 LYS HE2 . 25402 1 1218 . 1 1 105 105 LYS HE3 H 1 2.939 0.002 . 1 . 1925 . A 95 LYS HE3 . 25402 1 1219 . 1 1 105 105 LYS C C 13 176.552 . . 1 . 1587 . A 95 LYS C . 25402 1 1220 . 1 1 105 105 LYS CA C 13 56.803 0.073 . 1 . 1893 . A 95 LYS CA . 25402 1 1221 . 1 1 105 105 LYS CB C 13 33.030 0.024 . 1 . 1765 . A 95 LYS CB . 25402 1 1222 . 1 1 105 105 LYS CG C 13 24.949 0.006 . 1 . 1920 . A 95 LYS CG . 25402 1 1223 . 1 1 105 105 LYS CD C 13 29.347 0.012 . 1 . 1924 . A 95 LYS CD . 25402 1 1224 . 1 1 105 105 LYS CE C 13 42.023 . . 1 . 1927 . A 95 LYS CE . 25402 1 1225 . 1 1 106 106 ALA H H 1 8.158 0.005 . 1 . 878 . A 96 ALA H . 25402 1 1226 . 1 1 106 106 ALA HA H 1 4.148 0.008 . 1 . 1562 . A 96 ALA HA . 25402 1 1227 . 1 1 106 106 ALA HB1 H 1 1.235 0.008 . 1 . 1563 . A 96 ALA HB1 . 25402 1 1228 . 1 1 106 106 ALA HB2 H 1 1.235 0.008 . 1 . 1563 . A 96 ALA HB2 . 25402 1 1229 . 1 1 106 106 ALA HB3 H 1 1.235 0.008 . 1 . 1563 . A 96 ALA HB3 . 25402 1 1230 . 1 1 106 106 ALA C C 13 177.695 0.002 . 1 . 1565 . A 96 ALA C . 25402 1 1231 . 1 1 106 106 ALA CA C 13 53.087 0.026 . 1 . 913 . A 96 ALA CA . 25402 1 1232 . 1 1 106 106 ALA CB C 13 19.241 0.054 . 1 . 914 . A 96 ALA CB . 25402 1 1233 . 1 1 106 106 ALA N N 15 123.447 0.032 . 1 . 879 . A 96 ALA N . 25402 1 1234 . 1 1 107 107 PHE H H 1 8.141 0.012 . 1 . 367 . A 97 PHE H . 25402 1 1235 . 1 1 107 107 PHE HA H 1 4.469 0.008 . 1 . 1766 . A 97 PHE HA . 25402 1 1236 . 1 1 107 107 PHE HB2 H 1 2.943 0.011 . 2 . 1770 . A 97 PHE HB2 . 25402 1 1237 . 1 1 107 107 PHE HB3 H 1 2.982 0.02 . 2 . 1771 . A 97 PHE HB3 . 25402 1 1238 . 1 1 107 107 PHE HD1 H 1 7.117 0.03 . 3 . 1946 . A 97 PHE HD1 . 25402 1 1239 . 1 1 107 107 PHE HD2 H 1 7.117 0.03 . 3 . 1946 . A 97 PHE HD2 . 25402 1 1240 . 1 1 107 107 PHE HE1 H 1 7.221 0.021 . 3 . 1768 . A 97 PHE HE1 . 25402 1 1241 . 1 1 107 107 PHE HE2 H 1 7.221 0.021 . 3 . 1768 . A 97 PHE HE2 . 25402 1 1242 . 1 1 107 107 PHE HZ H 1 6.998 0.009 . 1 . 1769 . A 97 PHE HZ . 25402 1 1243 . 1 1 107 107 PHE C C 13 176.052 . . 1 . 1564 . A 97 PHE C . 25402 1 1244 . 1 1 107 107 PHE CA C 13 58.002 0.047 . 1 . 1767 . A 97 PHE CA . 25402 1 1245 . 1 1 107 107 PHE CB C 13 39.300 0.084 . 1 . 912 . A 97 PHE CB . 25402 1 1246 . 1 1 107 107 PHE CD1 C 13 133.429 . . 3 . 1947 . A 97 PHE CD1 . 25402 1 1247 . 1 1 107 107 PHE CD2 C 13 133.429 . . 3 . 1947 . A 97 PHE CD2 . 25402 1 1248 . 1 1 107 107 PHE N N 15 118.708 0.032 . 1 . 368 . A 97 PHE N . 25402 1 1249 . 1 1 108 108 LEU H H 1 8.020 0.009 . 1 . 403 . A 98 LEU H . 25402 1 1250 . 1 1 108 108 LEU HA H 1 4.155 0.008 . 1 . 1772 . A 98 LEU HA . 25402 1 1251 . 1 1 108 108 LEU HB2 H 1 1.482 0.014 . 2 . 1775 . A 98 LEU HB2 . 25402 1 1252 . 1 1 108 108 LEU HB3 H 1 1.577 0.003 . 2 . 1774 . A 98 LEU HB3 . 25402 1 1253 . 1 1 108 108 LEU HG H 1 1.568 0.005 . 1 . 1780 . A 98 LEU HG . 25402 1 1254 . 1 1 108 108 LEU HD11 H 1 0.770 0.019 . 2 . 1776 . A 98 LEU HD11 . 25402 1 1255 . 1 1 108 108 LEU HD12 H 1 0.770 0.019 . 2 . 1776 . A 98 LEU HD12 . 25402 1 1256 . 1 1 108 108 LEU HD13 H 1 0.770 0.019 . 2 . 1776 . A 98 LEU HD13 . 25402 1 1257 . 1 1 108 108 LEU HD21 H 1 0.710 0.012 . 2 . 1778 . A 98 LEU HD21 . 25402 1 1258 . 1 1 108 108 LEU HD22 H 1 0.710 0.012 . 2 . 1778 . A 98 LEU HD22 . 25402 1 1259 . 1 1 108 108 LEU HD23 H 1 0.710 0.012 . 2 . 1778 . A 98 LEU HD23 . 25402 1 1260 . 1 1 108 108 LEU C C 13 177.647 . . 1 . 1198 . A 98 LEU C . 25402 1 1261 . 1 1 108 108 LEU CA C 13 55.768 0.051 . 1 . 911 . A 98 LEU CA . 25402 1 1262 . 1 1 108 108 LEU CB C 13 42.062 0.019 . 1 . 1773 . A 98 LEU CB . 25402 1 1263 . 1 1 108 108 LEU CG C 13 27.171 0.007 . 1 . 1781 . A 98 LEU CG . 25402 1 1264 . 1 1 108 108 LEU CD1 C 13 25.005 0.043 . 2 . 1777 . A 98 LEU CD1 . 25402 1 1265 . 1 1 108 108 LEU CD2 C 13 23.470 0.04 . 2 . 1779 . A 98 LEU CD2 . 25402 1 1266 . 1 1 108 108 LEU N N 15 122.067 0.068 . 1 . 404 . A 98 LEU N . 25402 1 1267 . 1 1 109 109 ARG H H 1 7.997 0.006 . 1 . 199 . A 99 ARG H . 25402 1 1268 . 1 1 109 109 ARG HA H 1 4.206 0.008 . 1 . 1786 . A 99 ARG HA . 25402 1 1269 . 1 1 109 109 ARG HB2 H 1 1.831 0.008 . 2 . 1787 . A 99 ARG HB2 . 25402 1 1270 . 1 1 109 109 ARG HB3 H 1 1.749 0.018 . 2 . 1788 . A 99 ARG HB3 . 25402 1 1271 . 1 1 109 109 ARG HG2 H 1 1.587 0.011 . 2 . 1790 . A 99 ARG HG2 . 25402 1 1272 . 1 1 109 109 ARG HG3 H 1 1.605 0.017 . 2 . 1789 . A 99 ARG HG3 . 25402 1 1273 . 1 1 109 109 ARG HD2 H 1 3.134 0.008 . 1 . 1784 . A 99 ARG HD2 . 25402 1 1274 . 1 1 109 109 ARG HD3 H 1 3.134 0.008 . 1 . 1785 . A 99 ARG HD3 . 25402 1 1275 . 1 1 109 109 ARG C C 13 176.280 0.036 . 1 . 1483 . A 99 ARG C . 25402 1 1276 . 1 1 109 109 ARG CA C 13 56.423 0.075 . 1 . 1782 . A 99 ARG CA . 25402 1 1277 . 1 1 109 109 ARG CB C 13 30.573 0.069 . 1 . 1783 . A 99 ARG CB . 25402 1 1278 . 1 1 109 109 ARG CG C 13 27.191 0.09 . 1 . 1792 . A 99 ARG CG . 25402 1 1279 . 1 1 109 109 ARG CD C 13 43.265 0.057 . 1 . 1793 . A 99 ARG CD . 25402 1 1280 . 1 1 109 109 ARG N N 15 119.821 0.07 . 1 . 200 . A 99 ARG N . 25402 1 1281 . 1 1 110 110 GLN H H 1 8.157 0.011 . 1 . 892 . A 100 GLN H . 25402 1 1282 . 1 1 110 110 GLN HA H 1 4.257 0.006 . 1 . 1798 . A 100 GLN HA . 25402 1 1283 . 1 1 110 110 GLN HB2 H 1 1.887 0.004 . 2 . 1797 . A 100 GLN HB2 . 25402 1 1284 . 1 1 110 110 GLN HB3 H 1 2.056 0.006 . 2 . 1796 . A 100 GLN HB3 . 25402 1 1285 . 1 1 110 110 GLN HG2 H 1 2.274 0.005 . 1 . 1795 . A 100 GLN HG2 . 25402 1 1286 . 1 1 110 110 GLN HG3 H 1 2.274 0.005 . 1 . 1794 . A 100 GLN HG3 . 25402 1 1287 . 1 1 110 110 GLN HE21 H 1 7.476 0.002 . 1 . 72 . A 100 GLN HE21 . 25402 1 1288 . 1 1 110 110 GLN HE22 H 1 6.801 0.003 . 1 . 74 . A 100 GLN HE22 . 25402 1 1289 . 1 1 110 110 GLN C C 13 175.727 . . 1 . 1535 . A 100 GLN C . 25402 1 1290 . 1 1 110 110 GLN CA C 13 55.869 0.077 . 1 . 890 . A 100 GLN CA . 25402 1 1291 . 1 1 110 110 GLN CB C 13 29.263 0.036 . 1 . 889 . A 100 GLN CB . 25402 1 1292 . 1 1 110 110 GLN CG C 13 33.918 0.078 . 1 . 1553 . A 100 GLN CG . 25402 1 1293 . 1 1 110 110 GLN N N 15 119.280 0.075 . 1 . 891 . A 100 GLN N . 25402 1 1294 . 1 1 110 110 GLN NE2 N 15 112.309 0.034 . 1 . 73 . A 100 GLN NE2 . 25402 1 1295 . 1 1 111 111 LEU H H 1 7.938 0.016 . 1 . 135 . A 101 LEU H . 25402 1 1296 . 1 1 111 111 LEU HA H 1 4.557 0.006 . 1 . 614 . A 101 LEU HA . 25402 1 1297 . 1 1 111 111 LEU HB2 H 1 1.575 0.003 . 2 . 1799 . A 101 LEU HB2 . 25402 1 1298 . 1 1 111 111 LEU HB3 H 1 1.449 0.006 . 2 . 1800 . A 101 LEU HB3 . 25402 1 1299 . 1 1 111 111 LEU HG H 1 1.574 0.006 . 1 . 1378 . A 101 LEU HG . 25402 1 1300 . 1 1 111 111 LEU HD11 H 1 0.866 0.025 . 2 . 1633 . A 101 LEU HD11 . 25402 1 1301 . 1 1 111 111 LEU HD12 H 1 0.866 0.025 . 2 . 1633 . A 101 LEU HD12 . 25402 1 1302 . 1 1 111 111 LEU HD13 H 1 0.866 0.025 . 2 . 1633 . A 101 LEU HD13 . 25402 1 1303 . 1 1 111 111 LEU HD21 H 1 0.889 0.011 . 2 . 1376 . A 101 LEU HD21 . 25402 1 1304 . 1 1 111 111 LEU HD22 H 1 0.889 0.011 . 2 . 1376 . A 101 LEU HD22 . 25402 1 1305 . 1 1 111 111 LEU HD23 H 1 0.889 0.011 . 2 . 1376 . A 101 LEU HD23 . 25402 1 1306 . 1 1 111 111 LEU CA C 13 53.116 0.051 . 1 . 417 . A 101 LEU CA . 25402 1 1307 . 1 1 111 111 LEU CB C 13 42.004 0.049 . 1 . 418 . A 101 LEU CB . 25402 1 1308 . 1 1 111 111 LEU CG C 13 27.007 0.085 . 1 . 1379 . A 101 LEU CG . 25402 1 1309 . 1 1 111 111 LEU CD1 C 13 23.353 0.097 . 2 . 868 . A 101 LEU CD1 . 25402 1 1310 . 1 1 111 111 LEU CD2 C 13 25.559 0.048 . 2 . 1377 . A 101 LEU CD2 . 25402 1 1311 . 1 1 111 111 LEU N N 15 123.417 0.06 . 1 . 136 . A 101 LEU N . 25402 1 1312 . 1 1 112 112 PRO HA H 1 4.311 0.005 . 1 . 1643 . A 102 PRO HA . 25402 1 1313 . 1 1 112 112 PRO HB2 H 1 2.105 0.007 . 2 . 1638 . A 102 PRO HB2 . 25402 1 1314 . 1 1 112 112 PRO HB3 H 1 1.694 0.007 . 2 . 1639 . A 102 PRO HB3 . 25402 1 1315 . 1 1 112 112 PRO HG2 H 1 1.868 0.011 . 2 . 1642 . A 102 PRO HG2 . 25402 1 1316 . 1 1 112 112 PRO HG3 H 1 1.901 0.013 . 2 . 1640 . A 102 PRO HG3 . 25402 1 1317 . 1 1 112 112 PRO HD2 H 1 3.704 0.007 . 2 . 1634 . A 102 PRO HD2 . 25402 1 1318 . 1 1 112 112 PRO HD3 H 1 3.520 0.007 . 2 . 1635 . A 102 PRO HD3 . 25402 1 1319 . 1 1 112 112 PRO C C 13 176.794 . . 1 . 1810 . A 102 PRO C . 25402 1 1320 . 1 1 112 112 PRO CA C 13 63.491 0.036 . 1 . 1644 . A 102 PRO CA . 25402 1 1321 . 1 1 112 112 PRO CB C 13 31.615 0.019 . 1 . 1637 . A 102 PRO CB . 25402 1 1322 . 1 1 112 112 PRO CG C 13 27.332 0.034 . 1 . 1641 . A 102 PRO CG . 25402 1 1323 . 1 1 112 112 PRO CD C 13 50.431 0.027 . 1 . 1632 . A 102 PRO CD . 25402 1 1324 . 1 1 113 113 PHE H H 1 8.028 0.008 . 1 . 217 . A 103 PHE H . 25402 1 1325 . 1 1 113 113 PHE HA H 1 4.570 0.002 . 1 . 1802 . A 103 PHE HA . 25402 1 1326 . 1 1 113 113 PHE HB2 H 1 3.118 0.01 . 2 . 1803 . A 103 PHE HB2 . 25402 1 1327 . 1 1 113 113 PHE HB3 H 1 3.076 0.015 . 2 . 1805 . A 103 PHE HB3 . 25402 1 1328 . 1 1 113 113 PHE HD1 H 1 7.221 0.004 . 3 . 1806 . A 103 PHE HD1 . 25402 1 1329 . 1 1 113 113 PHE HD2 H 1 7.221 0.004 . 3 . 1806 . A 103 PHE HD2 . 25402 1 1330 . 1 1 113 113 PHE HE1 H 1 7.120 0.01 . 3 . 1807 . A 103 PHE HE1 . 25402 1 1331 . 1 1 113 113 PHE HE2 H 1 7.120 0.01 . 3 . 1807 . A 103 PHE HE2 . 25402 1 1332 . 1 1 113 113 PHE HZ H 1 7.332 0.013 . 1 . 1808 . A 103 PHE HZ . 25402 1 1333 . 1 1 113 113 PHE C C 13 175.905 0.01 . 1 . 1809 . A 103 PHE C . 25402 1 1334 . 1 1 113 113 PHE CA C 13 57.686 0.033 . 1 . 1801 . A 103 PHE CA . 25402 1 1335 . 1 1 113 113 PHE CB C 13 39.227 0.044 . 1 . 1804 . A 103 PHE CB . 25402 1 1336 . 1 1 113 113 PHE N N 15 118.684 0.051 . 1 . 218 . A 103 PHE N . 25402 1 1337 . 1 1 114 114 ARG H H 1 8.257 0.008 . 1 . 2405 . A 104 ARG H . 25402 1 1338 . 1 1 114 114 ARG HA H 1 4.308 0.014 . 1 . 1353 . A 104 ARG HA . 25402 1 1339 . 1 1 114 114 ARG HB2 H 1 1.674 0.01 . 2 . 1358 . A 104 ARG HB2 . 25402 1 1340 . 1 1 114 114 ARG HB3 H 1 1.846 0.018 . 2 . 1355 . A 104 ARG HB3 . 25402 1 1341 . 1 1 114 114 ARG HG2 H 1 1.537 0.003 . 1 . 1354 . A 104 ARG HG2 . 25402 1 1342 . 1 1 114 114 ARG HG3 H 1 1.537 0.003 . 1 . 1811 . A 104 ARG HG3 . 25402 1 1343 . 1 1 114 114 ARG HD2 H 1 3.021 0.0 . 1 . 1357 . A 104 ARG HD2 . 25402 1 1344 . 1 1 114 114 ARG HD3 H 1 3.021 0.0 . 1 . 1361 . A 104 ARG HD3 . 25402 1 1345 . 1 1 114 114 ARG C C 13 176.646 0.009 . 1 . 1362 . A 104 ARG C . 25402 1 1346 . 1 1 114 114 ARG CA C 13 55.796 0.049 . 1 . 1359 . A 104 ARG CA . 25402 1 1347 . 1 1 114 114 ARG CB C 13 30.890 0.074 . 1 . 1351 . A 104 ARG CB . 25402 1 1348 . 1 1 114 114 ARG CG C 13 26.997 . . 1 . 1360 . A 104 ARG CG . 25402 1 1349 . 1 1 114 114 ARG CD C 13 43.289 0.006 . 1 . 1356 . A 104 ARG CD . 25402 1 1350 . 1 1 114 114 ARG N N 15 122.051 0.065 . 1 . 2406 . A 104 ARG N . 25402 1 1351 . 1 1 115 115 GLY H H 1 7.926 0.005 . 1 . 443 . A 105 GLY H . 25402 1 1352 . 1 1 115 115 GLY HA2 H 1 3.941 0.008 . 2 . 1349 . A 105 GLY HA2 . 25402 1 1353 . 1 1 115 115 GLY HA3 H 1 3.865 0.006 . 2 . 1350 . A 105 GLY HA3 . 25402 1 1354 . 1 1 115 115 GLY C C 13 174.372 0.011 . 1 . 1345 . A 105 GLY C . 25402 1 1355 . 1 1 115 115 GLY CA C 13 45.562 0.066 . 1 . 495 . A 105 GLY CA . 25402 1 1356 . 1 1 115 115 GLY N N 15 109.150 0.056 . 1 . 444 . A 105 GLY N . 25402 1 1357 . 1 1 116 116 ASP H H 1 8.343 0.01 . 1 . 476 . A 106 ASP H . 25402 1 1358 . 1 1 116 116 ASP HA H 1 4.581 0.008 . 1 . 1346 . A 106 ASP HA . 25402 1 1359 . 1 1 116 116 ASP HB2 H 1 2.646 0.005 . 2 . 1347 . A 106 ASP HB2 . 25402 1 1360 . 1 1 116 116 ASP HB3 H 1 2.648 0.003 . 2 . 1348 . A 106 ASP HB3 . 25402 1 1361 . 1 1 116 116 ASP C C 13 176.535 0.015 . 1 . 1195 . A 106 ASP C . 25402 1 1362 . 1 1 116 116 ASP CA C 13 54.819 0.039 . 1 . 1343 . A 106 ASP CA . 25402 1 1363 . 1 1 116 116 ASP CB C 13 41.271 0.099 . 1 . 1342 . A 106 ASP CB . 25402 1 1364 . 1 1 116 116 ASP N N 15 121.088 0.047 . 1 . 477 . A 106 ASP N . 25402 1 1365 . 1 1 117 117 ASP H H 1 8.365 0.02 . 1 . 205 . A 107 ASP H . 25402 1 1366 . 1 1 117 117 ASP HA H 1 4.588 0.005 . 1 . 1339 . A 107 ASP HA . 25402 1 1367 . 1 1 117 117 ASP HB2 H 1 2.717 0.019 . 2 . 1340 . A 107 ASP HB2 . 25402 1 1368 . 1 1 117 117 ASP HB3 H 1 2.686 0.036 . 2 . 1341 . A 107 ASP HB3 . 25402 1 1369 . 1 1 117 117 ASP C C 13 177.608 0.005 . 1 . 1336 . A 107 ASP C . 25402 1 1370 . 1 1 117 117 ASP CA C 13 55.107 0.037 . 1 . 1338 . A 107 ASP CA . 25402 1 1371 . 1 1 117 117 ASP CB C 13 41.084 0.071 . 1 . 1337 . A 107 ASP CB . 25402 1 1372 . 1 1 117 117 ASP N N 15 119.283 0.109 . 1 . 206 . A 107 ASP N . 25402 1 1373 . 1 1 118 118 GLY H H 1 8.300 0.006 . 1 . 274 . A 108 GLY H . 25402 1 1374 . 1 1 118 118 GLY HA2 H 1 3.600 0.011 . 1 . 807 . A 108 GLY HA2 . 25402 1 1375 . 1 1 118 118 GLY HA3 H 1 3.600 0.011 . 1 . 808 . A 108 GLY HA3 . 25402 1 1376 . 1 1 118 118 GLY C C 13 174.805 0.006 . 1 . 1324 . A 108 GLY C . 25402 1 1377 . 1 1 118 118 GLY CA C 13 46.414 0.056 . 1 . 534 . A 108 GLY CA . 25402 1 1378 . 1 1 118 118 GLY N N 15 109.208 0.062 . 1 . 275 . A 108 GLY N . 25402 1 1379 . 1 1 119 119 ILE H H 1 7.179 0.01 . 1 . 243 . A 109 ILE H . 25402 1 1380 . 1 1 119 119 ILE HA H 1 3.364 0.008 . 1 . 1327 . A 109 ILE HA . 25402 1 1381 . 1 1 119 119 ILE HB H 1 1.397 0.008 . 1 . 1328 . A 109 ILE HB . 25402 1 1382 . 1 1 119 119 ILE HG12 H 1 0.433 0.014 . 2 . 1334 . A 109 ILE HG12 . 25402 1 1383 . 1 1 119 119 ILE HG13 H 1 0.732 0.02 . 2 . 1333 . A 109 ILE HG13 . 25402 1 1384 . 1 1 119 119 ILE HG21 H 1 0.335 0.007 . 1 . 1329 . A 109 ILE HG21 . 25402 1 1385 . 1 1 119 119 ILE HG22 H 1 0.335 0.007 . 1 . 1329 . A 109 ILE HG22 . 25402 1 1386 . 1 1 119 119 ILE HG23 H 1 0.335 0.007 . 1 . 1329 . A 109 ILE HG23 . 25402 1 1387 . 1 1 119 119 ILE HD11 H 1 0.574 0.004 . 1 . 1335 . A 109 ILE HD11 . 25402 1 1388 . 1 1 119 119 ILE HD12 H 1 0.574 0.004 . 1 . 1335 . A 109 ILE HD12 . 25402 1 1389 . 1 1 119 119 ILE HD13 H 1 0.574 0.004 . 1 . 1335 . A 109 ILE HD13 . 25402 1 1390 . 1 1 119 119 ILE C C 13 175.071 0.019 . 1 . 1813 . A 109 ILE C . 25402 1 1391 . 1 1 119 119 ILE CA C 13 61.663 0.033 . 1 . 1326 . A 109 ILE CA . 25402 1 1392 . 1 1 119 119 ILE CB C 13 37.659 0.032 . 1 . 1325 . A 109 ILE CB . 25402 1 1393 . 1 1 119 119 ILE CG1 C 13 26.307 0.047 . 1 . 1332 . A 109 ILE CG1 . 25402 1 1394 . 1 1 119 119 ILE CG2 C 13 17.203 0.054 . 1 . 1330 . A 109 ILE CG2 . 25402 1 1395 . 1 1 119 119 ILE CD1 C 13 13.915 0.042 . 1 . 1331 . A 109 ILE CD1 . 25402 1 1396 . 1 1 119 119 ILE N N 15 116.421 0.034 . 1 . 244 . A 109 ILE N . 25402 1 1397 . 1 1 120 120 PHE H H 1 7.682 0.014 . 1 . 221 . A 110 PHE H . 25402 1 1398 . 1 1 120 120 PHE HA H 1 4.711 0.005 . 1 . 1814 . A 110 PHE HA . 25402 1 1399 . 1 1 120 120 PHE HB2 H 1 3.343 0.012 . 2 . 1322 . A 110 PHE HB2 . 25402 1 1400 . 1 1 120 120 PHE HB3 H 1 2.687 0.007 . 2 . 1323 . A 110 PHE HB3 . 25402 1 1401 . 1 1 120 120 PHE HD1 H 1 7.062 0.005 . 3 . 1815 . A 110 PHE HD1 . 25402 1 1402 . 1 1 120 120 PHE HD2 H 1 7.062 0.005 . 3 . 1815 . A 110 PHE HD2 . 25402 1 1403 . 1 1 120 120 PHE HE1 H 1 7.192 . . 3 . 1816 . A 110 PHE HE1 . 25402 1 1404 . 1 1 120 120 PHE HE2 H 1 7.192 . . 3 . 1816 . A 110 PHE HE2 . 25402 1 1405 . 1 1 120 120 PHE HZ H 1 6.969 . . 1 . 1817 . A 110 PHE HZ . 25402 1 1406 . 1 1 120 120 PHE C C 13 175.599 0.004 . 1 . 1314 . A 110 PHE C . 25402 1 1407 . 1 1 120 120 PHE CA C 13 56.910 . . 1 . 358 . A 110 PHE CA . 25402 1 1408 . 1 1 120 120 PHE CB C 13 38.967 0.057 . 1 . 508 . A 110 PHE CB . 25402 1 1409 . 1 1 120 120 PHE N N 15 118.312 0.121 . 1 . 222 . A 110 PHE N . 25402 1 1410 . 1 1 121 121 ASP H H 1 7.539 0.01 . 1 . 151 . A 111 ASP H . 25402 1 1411 . 1 1 121 121 ASP HA H 1 4.573 0.007 . 1 . 1320 . A 111 ASP HA . 25402 1 1412 . 1 1 121 121 ASP HB2 H 1 2.827 0.008 . 2 . 1317 . A 111 ASP HB2 . 25402 1 1413 . 1 1 121 121 ASP HB3 H 1 2.732 0.005 . 2 . 1318 . A 111 ASP HB3 . 25402 1 1414 . 1 1 121 121 ASP C C 13 176.880 0.005 . 1 . 1312 . A 111 ASP C . 25402 1 1415 . 1 1 121 121 ASP CA C 13 54.440 0.05 . 1 . 1319 . A 111 ASP CA . 25402 1 1416 . 1 1 121 121 ASP CB C 13 43.013 0.068 . 1 . 1315 . A 111 ASP CB . 25402 1 1417 . 1 1 121 121 ASP N N 15 122.337 0.069 . 1 . 152 . A 111 ASP N . 25402 1 1418 . 1 1 122 122 ASP H H 1 8.772 0.009 . 1 . 112 . A 112 ASP H . 25402 1 1419 . 1 1 122 122 ASP HA H 1 4.349 0.007 . 1 . 697 . A 112 ASP HA . 25402 1 1420 . 1 1 122 122 ASP HB2 H 1 2.726 0.003 . 2 . 1311 . A 112 ASP HB2 . 25402 1 1421 . 1 1 122 122 ASP HB3 H 1 2.621 0.004 . 2 . 698 . A 112 ASP HB3 . 25402 1 1422 . 1 1 122 122 ASP C C 13 178.620 0.026 . 1 . 1313 . A 112 ASP C . 25402 1 1423 . 1 1 122 122 ASP CA C 13 57.774 0.068 . 1 . 428 . A 112 ASP CA . 25402 1 1424 . 1 1 122 122 ASP CB C 13 40.812 0.07 . 1 . 1310 . A 112 ASP CB . 25402 1 1425 . 1 1 122 122 ASP N N 15 124.119 0.1 . 1 . 113 . A 112 ASP N . 25402 1 1426 . 1 1 123 123 ASN H H 1 8.680 0.004 . 1 . 223 . A 113 ASN H . 25402 1 1427 . 1 1 123 123 ASN HA H 1 4.529 0.009 . 1 . 1080 . A 113 ASN HA . 25402 1 1428 . 1 1 123 123 ASN HB2 H 1 2.811 0.042 . 2 . 1082 . A 113 ASN HB2 . 25402 1 1429 . 1 1 123 123 ASN HB3 H 1 2.918 0.047 . 2 . 1081 . A 113 ASN HB3 . 25402 1 1430 . 1 1 123 123 ASN HD21 H 1 7.005 0.005 . 1 . 51 . A 113 ASN HD21 . 25402 1 1431 . 1 1 123 123 ASN HD22 H 1 7.870 0.009 . 1 . 255 . A 113 ASN HD22 . 25402 1 1432 . 1 1 123 123 ASN C C 13 177.396 0.0 . 1 . 1579 . A 113 ASN C . 25402 1 1433 . 1 1 123 123 ASN CA C 13 56.184 0.073 . 1 . 357 . A 113 ASN CA . 25402 1 1434 . 1 1 123 123 ASN CB C 13 37.990 0.074 . 1 . 699 . A 113 ASN CB . 25402 1 1435 . 1 1 123 123 ASN CG C 13 176.871 0.025 . 1 . 1554 . A 113 ASN CG . 25402 1 1436 . 1 1 123 123 ASN N N 15 118.135 0.053 . 1 . 224 . A 113 ASN N . 25402 1 1437 . 1 1 123 123 ASN ND2 N 15 114.111 0.042 . 1 . 52 . A 113 ASN ND2 . 25402 1 1438 . 1 1 124 124 PHE H H 1 7.975 0.007 . 1 . 141 . A 114 PHE H . 25402 1 1439 . 1 1 124 124 PHE HA H 1 4.155 0.012 . 1 . 1305 . A 114 PHE HA . 25402 1 1440 . 1 1 124 124 PHE HB2 H 1 3.220 0.013 . 2 . 1308 . A 114 PHE HB2 . 25402 1 1441 . 1 1 124 124 PHE HB3 H 1 3.101 0.018 . 2 . 1309 . A 114 PHE HB3 . 25402 1 1442 . 1 1 124 124 PHE HD1 H 1 6.987 0.009 . 3 . 1604 . A 114 PHE HD1 . 25402 1 1443 . 1 1 124 124 PHE HD2 H 1 6.987 0.009 . 3 . 1604 . A 114 PHE HD2 . 25402 1 1444 . 1 1 124 124 PHE HE1 H 1 7.081 0.017 . 3 . 2409 . A 114 PHE HE1 . 25402 1 1445 . 1 1 124 124 PHE HE2 H 1 7.081 0.017 . 3 . 2409 . A 114 PHE HE2 . 25402 1 1446 . 1 1 124 124 PHE C C 13 177.663 0.0 . 1 . 1592 . A 114 PHE C . 25402 1 1447 . 1 1 124 124 PHE CA C 13 61.205 0.077 . 1 . 486 . A 114 PHE CA . 25402 1 1448 . 1 1 124 124 PHE CB C 13 39.404 0.099 . 1 . 1306 . A 114 PHE CB . 25402 1 1449 . 1 1 124 124 PHE CE1 C 13 132.473 0.132 . 3 . 2410 . A 114 PHE CE1 . 25402 1 1450 . 1 1 124 124 PHE CE2 C 13 132.473 0.132 . 3 . 2410 . A 114 PHE CE2 . 25402 1 1451 . 1 1 124 124 PHE N N 15 122.817 0.061 . 1 . 142 . A 114 PHE N . 25402 1 1452 . 1 1 125 125 ILE H H 1 8.321 0.009 . 1 . 189 . A 115 ILE H . 25402 1 1453 . 1 1 125 125 ILE HA H 1 3.583 0.005 . 1 . 1316 . A 115 ILE HA . 25402 1 1454 . 1 1 125 125 ILE HB H 1 1.909 0.01 . 1 . 1126 . A 115 ILE HB . 25402 1 1455 . 1 1 125 125 ILE HG12 H 1 1.851 0.007 . 2 . 1125 . A 115 ILE HG12 . 25402 1 1456 . 1 1 125 125 ILE HG13 H 1 1.241 0.011 . 2 . 1127 . A 115 ILE HG13 . 25402 1 1457 . 1 1 125 125 ILE HG21 H 1 1.033 0.006 . 1 . 1121 . A 115 ILE HG21 . 25402 1 1458 . 1 1 125 125 ILE HG22 H 1 1.033 0.006 . 1 . 1121 . A 115 ILE HG22 . 25402 1 1459 . 1 1 125 125 ILE HG23 H 1 1.033 0.006 . 1 . 1121 . A 115 ILE HG23 . 25402 1 1460 . 1 1 125 125 ILE HD11 H 1 0.914 0.008 . 1 . 1304 . A 115 ILE HD11 . 25402 1 1461 . 1 1 125 125 ILE HD12 H 1 0.914 0.008 . 1 . 1304 . A 115 ILE HD12 . 25402 1 1462 . 1 1 125 125 ILE HD13 H 1 0.914 0.008 . 1 . 1304 . A 115 ILE HD13 . 25402 1 1463 . 1 1 125 125 ILE C C 13 177.863 0.005 . 1 . 1591 . A 115 ILE C . 25402 1 1464 . 1 1 125 125 ILE CA C 13 64.963 0.081 . 1 . 392 . A 115 ILE CA . 25402 1 1465 . 1 1 125 125 ILE CB C 13 37.841 0.083 . 1 . 393 . A 115 ILE CB . 25402 1 1466 . 1 1 125 125 ILE CG1 C 13 29.813 0.038 . 1 . 1123 . A 115 ILE CG1 . 25402 1 1467 . 1 1 125 125 ILE CG2 C 13 17.763 0.044 . 1 . 1122 . A 115 ILE CG2 . 25402 1 1468 . 1 1 125 125 ILE CD1 C 13 13.657 0.046 . 1 . 1124 . A 115 ILE CD1 . 25402 1 1469 . 1 1 125 125 ILE N N 15 120.556 0.063 . 1 . 190 . A 115 ILE N . 25402 1 1470 . 1 1 126 126 GLU H H 1 8.032 0.011 . 1 . 181 . A 116 GLU H . 25402 1 1471 . 1 1 126 126 GLU HA H 1 4.134 0.007 . 1 . 701 . A 116 GLU HA . 25402 1 1472 . 1 1 126 126 GLU HB2 H 1 2.172 0.01 . 2 . 703 . A 116 GLU HB2 . 25402 1 1473 . 1 1 126 126 GLU HB3 H 1 2.067 0.01 . 2 . 704 . A 116 GLU HB3 . 25402 1 1474 . 1 1 126 126 GLU HG2 H 1 2.429 0.006 . 2 . 705 . A 116 GLU HG2 . 25402 1 1475 . 1 1 126 126 GLU HG3 H 1 2.230 0.005 . 2 . 706 . A 116 GLU HG3 . 25402 1 1476 . 1 1 126 126 GLU C C 13 178.607 0.024 . 1 . 1513 . A 116 GLU C . 25402 1 1477 . 1 1 126 126 GLU CA C 13 59.280 0.068 . 1 . 397 . A 116 GLU CA . 25402 1 1478 . 1 1 126 126 GLU CB C 13 29.178 0.046 . 1 . 700 . A 116 GLU CB . 25402 1 1479 . 1 1 126 126 GLU CG C 13 35.347 0.06 . 1 . 702 . A 116 GLU CG . 25402 1 1480 . 1 1 126 126 GLU N N 15 120.846 0.067 . 1 . 182 . A 116 GLU N . 25402 1 1481 . 1 1 127 127 GLU H H 1 7.767 0.024 . 1 . 201 . A 117 GLU H . 25402 1 1482 . 1 1 127 127 GLU HA H 1 3.947 0.011 . 1 . 707 . A 117 GLU HA . 25402 1 1483 . 1 1 127 127 GLU HB2 H 1 1.873 0.011 . 2 . 1303 . A 117 GLU HB2 . 25402 1 1484 . 1 1 127 127 GLU HB3 H 1 1.908 0.006 . 2 . 1302 . A 117 GLU HB3 . 25402 1 1485 . 1 1 127 127 GLU HG2 H 1 2.204 0.014 . 2 . 1300 . A 117 GLU HG2 . 25402 1 1486 . 1 1 127 127 GLU HG3 H 1 2.060 0.007 . 2 . 1301 . A 117 GLU HG3 . 25402 1 1487 . 1 1 127 127 GLU C C 13 180.230 . . 1 . 1290 . A 117 GLU C . 25402 1 1488 . 1 1 127 127 GLU CA C 13 59.366 0.076 . 1 . 512 . A 117 GLU CA . 25402 1 1489 . 1 1 127 127 GLU CB C 13 29.291 0.053 . 1 . 513 . A 117 GLU CB . 25402 1 1490 . 1 1 127 127 GLU CG C 13 36.275 0.037 . 1 . 1299 . A 117 GLU CG . 25402 1 1491 . 1 1 127 127 GLU N N 15 119.627 0.082 . 1 . 202 . A 117 GLU N . 25402 1 1492 . 1 1 128 128 ARG H H 1 8.369 0.008 . 1 . 145 . A 118 ARG H . 25402 1 1493 . 1 1 128 128 ARG HA H 1 3.666 0.011 . 1 . 1292 . A 118 ARG HA . 25402 1 1494 . 1 1 128 128 ARG HB2 H 1 1.739 0.009 . 2 . 1295 . A 118 ARG HB2 . 25402 1 1495 . 1 1 128 128 ARG HB3 H 1 1.460 0.014 . 2 . 1294 . A 118 ARG HB3 . 25402 1 1496 . 1 1 128 128 ARG HG2 H 1 1.149 0.014 . 2 . 1297 . A 118 ARG HG2 . 25402 1 1497 . 1 1 128 128 ARG HG3 H 1 1.355 0.006 . 2 . 1298 . A 118 ARG HG3 . 25402 1 1498 . 1 1 128 128 ARG C C 13 177.465 0.014 . 1 . 1291 . A 118 ARG C . 25402 1 1499 . 1 1 128 128 ARG CA C 13 59.762 0.05 . 1 . 1999 . A 118 ARG CA . 25402 1 1500 . 1 1 128 128 ARG CB C 13 30.379 0.053 . 1 . 1293 . A 118 ARG CB . 25402 1 1501 . 1 1 128 128 ARG CG C 13 26.715 0.047 . 1 . 1296 . A 118 ARG CG . 25402 1 1502 . 1 1 128 128 ARG N N 15 122.476 0.08 . 1 . 146 . A 118 ARG N . 25402 1 1503 . 1 1 129 129 LYS H H 1 8.932 0.032 . 1 . 299 . A 119 LYS H . 25402 1 1504 . 1 1 129 129 LYS HA H 1 3.382 0.007 . 1 . 1278 . A 119 LYS HA . 25402 1 1505 . 1 1 129 129 LYS HB2 H 1 2.224 0.008 . 2 . 1279 . A 119 LYS HB2 . 25402 1 1506 . 1 1 129 129 LYS HB3 H 1 2.001 0.014 . 2 . 1280 . A 119 LYS HB3 . 25402 1 1507 . 1 1 129 129 LYS HG2 H 1 1.474 0.005 . 2 . 1282 . A 119 LYS HG2 . 25402 1 1508 . 1 1 129 129 LYS HG3 H 1 1.387 0.012 . 2 . 1283 . A 119 LYS HG3 . 25402 1 1509 . 1 1 129 129 LYS HD2 H 1 1.889 0.012 . 2 . 1284 . A 119 LYS HD2 . 25402 1 1510 . 1 1 129 129 LYS HD3 H 1 1.665 0.005 . 2 . 1286 . A 119 LYS HD3 . 25402 1 1511 . 1 1 129 129 LYS HE2 H 1 3.121 0.007 . 1 . 1287 . A 119 LYS HE2 . 25402 1 1512 . 1 1 129 129 LYS HE3 H 1 3.121 0.007 . 1 . 1289 . A 119 LYS HE3 . 25402 1 1513 . 1 1 129 129 LYS C C 13 177.896 . . 1 . 1566 . A 119 LYS C . 25402 1 1514 . 1 1 129 129 LYS CA C 13 60.211 0.049 . 1 . 490 . A 119 LYS CA . 25402 1 1515 . 1 1 129 129 LYS CB C 13 32.289 0.093 . 1 . 708 . A 119 LYS CB . 25402 1 1516 . 1 1 129 129 LYS CG C 13 23.612 0.033 . 1 . 1281 . A 119 LYS CG . 25402 1 1517 . 1 1 129 129 LYS CD C 13 29.603 0.062 . 1 . 1285 . A 119 LYS CD . 25402 1 1518 . 1 1 129 129 LYS CE C 13 41.307 0.041 . 1 . 1288 . A 119 LYS CE . 25402 1 1519 . 1 1 129 129 LYS N N 15 120.951 0.05 . 1 . 300 . A 119 LYS N . 25402 1 1520 . 1 1 130 130 GLN H H 1 7.784 0.02 . 1 . 237 . A 120 GLN H . 25402 1 1521 . 1 1 130 130 GLN HA H 1 4.136 0.008 . 1 . 1094 . A 120 GLN HA . 25402 1 1522 . 1 1 130 130 GLN HB2 H 1 2.154 0.01 . 1 . 1953 . A 120 GLN HB2 . 25402 1 1523 . 1 1 130 130 GLN HB3 H 1 2.154 0.01 . 1 . 709 . A 120 GLN HB3 . 25402 1 1524 . 1 1 130 130 GLN HG2 H 1 2.649 0.004 . 2 . 710 . A 120 GLN HG2 . 25402 1 1525 . 1 1 130 130 GLN HG3 H 1 2.466 0.006 . 2 . 711 . A 120 GLN HG3 . 25402 1 1526 . 1 1 130 130 GLN HE21 H 1 7.869 0.002 . 1 . 75 . A 120 GLN HE21 . 25402 1 1527 . 1 1 130 130 GLN HE22 H 1 6.845 0.021 . 1 . 77 . A 120 GLN HE22 . 25402 1 1528 . 1 1 130 130 GLN C C 13 179.876 . . 1 . 1567 . A 120 GLN C . 25402 1 1529 . 1 1 130 130 GLN CA C 13 58.825 0.083 . 1 . 347 . A 120 GLN CA . 25402 1 1530 . 1 1 130 130 GLN CB C 13 28.383 0.058 . 1 . 487 . A 120 GLN CB . 25402 1 1531 . 1 1 130 130 GLN CG C 13 33.866 0.108 . 1 . 1095 . A 120 GLN CG . 25402 1 1532 . 1 1 130 130 GLN CD C 13 180.394 0.002 . 1 . 1548 . A 120 GLN CD . 25402 1 1533 . 1 1 130 130 GLN N N 15 116.685 0.057 . 1 . 238 . A 120 GLN N . 25402 1 1534 . 1 1 130 130 GLN NE2 N 15 112.159 0.018 . 1 . 76 . A 120 GLN NE2 . 25402 1 1535 . 1 1 131 131 GLY H H 1 8.119 0.01 . 1 . 280 . A 121 GLY H . 25402 1 1536 . 1 1 131 131 GLY HA2 H 1 3.953 0.008 . 2 . 539 . A 121 GLY HA2 . 25402 1 1537 . 1 1 131 131 GLY HA3 H 1 3.722 0.007 . 2 . 540 . A 121 GLY HA3 . 25402 1 1538 . 1 1 131 131 GLY C C 13 177.651 0.0 . 1 . 1352 . A 121 GLY C . 25402 1 1539 . 1 1 131 131 GLY CA C 13 47.214 0.063 . 1 . 312 . A 121 GLY CA . 25402 1 1540 . 1 1 131 131 GLY N N 15 107.876 0.056 . 1 . 281 . A 121 GLY N . 25402 1 1541 . 1 1 132 132 LEU H H 1 8.964 0.025 . 1 . 110 . A 122 LEU H . 25402 1 1542 . 1 1 132 132 LEU HA H 1 3.749 0.011 . 1 . 1414 . A 122 LEU HA . 25402 1 1543 . 1 1 132 132 LEU HB2 H 1 0.698 0.01 . 2 . 1416 . A 122 LEU HB2 . 25402 1 1544 . 1 1 132 132 LEU HB3 H 1 1.598 0.011 . 2 . 1419 . A 122 LEU HB3 . 25402 1 1545 . 1 1 132 132 LEU HG H 1 1.495 0.01 . 1 . 1423 . A 122 LEU HG . 25402 1 1546 . 1 1 132 132 LEU HD11 H 1 -0.328 0.009 . 2 . 1421 . A 122 LEU HD11 . 25402 1 1547 . 1 1 132 132 LEU HD12 H 1 -0.328 0.009 . 2 . 1421 . A 122 LEU HD12 . 25402 1 1548 . 1 1 132 132 LEU HD13 H 1 -0.328 0.009 . 2 . 1421 . A 122 LEU HD13 . 25402 1 1549 . 1 1 132 132 LEU HD21 H 1 -0.398 0.008 . 2 . 1415 . A 122 LEU HD21 . 25402 1 1550 . 1 1 132 132 LEU HD22 H 1 -0.398 0.008 . 2 . 1415 . A 122 LEU HD22 . 25402 1 1551 . 1 1 132 132 LEU HD23 H 1 -0.398 0.008 . 2 . 1415 . A 122 LEU HD23 . 25402 1 1552 . 1 1 132 132 LEU C C 13 178.906 . . 1 . 1589 . A 122 LEU C . 25402 1 1553 . 1 1 132 132 LEU CA C 13 57.512 0.05 . 1 . 1413 . A 122 LEU CA . 25402 1 1554 . 1 1 132 132 LEU CB C 13 40.085 0.052 . 1 . 1418 . A 122 LEU CB . 25402 1 1555 . 1 1 132 132 LEU CG C 13 24.868 0.021 . 1 . 1422 . A 122 LEU CG . 25402 1 1556 . 1 1 132 132 LEU CD1 C 13 23.681 0.058 . 2 . 1420 . A 122 LEU CD1 . 25402 1 1557 . 1 1 132 132 LEU CD2 C 13 19.901 0.051 . 2 . 1417 . A 122 LEU CD2 . 25402 1 1558 . 1 1 132 132 LEU N N 15 124.155 0.059 . 1 . 111 . A 122 LEU N . 25402 1 1559 . 1 1 133 133 GLU H H 1 8.281 0.01 . 1 . 177 . A 123 GLU H . 25402 1 1560 . 1 1 133 133 GLU HA H 1 3.975 0.005 . 1 . 1268 . A 123 GLU HA . 25402 1 1561 . 1 1 133 133 GLU HB2 H 1 2.273 0.005 . 2 . 1269 . A 123 GLU HB2 . 25402 1 1562 . 1 1 133 133 GLU HB3 H 1 2.194 0.005 . 2 . 1271 . A 123 GLU HB3 . 25402 1 1563 . 1 1 133 133 GLU HG2 H 1 2.249 0.006 . 2 . 1274 . A 123 GLU HG2 . 25402 1 1564 . 1 1 133 133 GLU HG3 H 1 2.453 0.007 . 2 . 1273 . A 123 GLU HG3 . 25402 1 1565 . 1 1 133 133 GLU C C 13 179.516 0.031 . 1 . 1588 . A 123 GLU C . 25402 1 1566 . 1 1 133 133 GLU CA C 13 60.698 0.07 . 1 . 400 . A 123 GLU CA . 25402 1 1567 . 1 1 133 133 GLU CB C 13 38.446 0.058 . 1 . 1270 . A 123 GLU CB . 25402 1 1568 . 1 1 133 133 GLU CG C 13 30.881 0.054 . 1 . 1272 . A 123 GLU CG . 25402 1 1569 . 1 1 133 133 GLU N N 15 121.063 0.064 . 1 . 178 . A 123 GLU N . 25402 1 1570 . 1 1 134 134 GLN H H 1 8.150 0.014 . 1 . 191 . A 124 GLN H . 25402 1 1571 . 1 1 134 134 GLN HA H 1 4.234 0.004 . 1 . 715 . A 124 GLN HA . 25402 1 1572 . 1 1 134 134 GLN HB2 H 1 2.283 0.007 . 2 . 713 . A 124 GLN HB2 . 25402 1 1573 . 1 1 134 134 GLN HB3 H 1 2.203 0.009 . 2 . 712 . A 124 GLN HB3 . 25402 1 1574 . 1 1 134 134 GLN HG2 H 1 2.651 0.004 . 2 . 716 . A 124 GLN HG2 . 25402 1 1575 . 1 1 134 134 GLN HG3 H 1 2.468 0.003 . 2 . 714 . A 124 GLN HG3 . 25402 1 1576 . 1 1 134 134 GLN HE21 H 1 7.639 0.006 . 1 . 1275 . A 124 GLN HE21 . 25402 1 1577 . 1 1 134 134 GLN HE22 H 1 6.939 0.002 . 1 . 1276 . A 124 GLN HE22 . 25402 1 1578 . 1 1 134 134 GLN C C 13 178.719 0.022 . 1 . 1267 . A 124 GLN C . 25402 1 1579 . 1 1 134 134 GLN CA C 13 59.184 0.058 . 1 . 528 . A 124 GLN CA . 25402 1 1580 . 1 1 134 134 GLN CB C 13 28.427 0.04 . 1 . 533 . A 124 GLN CB . 25402 1 1581 . 1 1 134 134 GLN CG C 13 33.956 0.083 . 1 . 718 . A 124 GLN CG . 25402 1 1582 . 1 1 134 134 GLN CD C 13 180.333 0.009 . 1 . 1549 . A 124 GLN CD . 25402 1 1583 . 1 1 134 134 GLN N N 15 120.393 0.066 . 1 . 192 . A 124 GLN N . 25402 1 1584 . 1 1 134 134 GLN NE2 N 15 112.112 0.032 . 1 . 1277 . A 124 GLN NE2 . 25402 1 1585 . 1 1 135 135 PHE H H 1 8.173 0.008 . 1 . 207 . A 125 PHE H . 25402 1 1586 . 1 1 135 135 PHE HA H 1 4.127 0.007 . 1 . 719 . A 125 PHE HA . 25402 1 1587 . 1 1 135 135 PHE HB2 H 1 3.260 0.009 . 1 . 720 . A 125 PHE HB2 . 25402 1 1588 . 1 1 135 135 PHE HB3 H 1 3.258 0.012 . 1 . 721 . A 125 PHE HB3 . 25402 1 1589 . 1 1 135 135 PHE HD1 H 1 7.106 0.022 . 3 . 1620 . A 125 PHE HD1 . 25402 1 1590 . 1 1 135 135 PHE HD2 H 1 7.106 0.022 . 3 . 1620 . A 125 PHE HD2 . 25402 1 1591 . 1 1 135 135 PHE HE1 H 1 7.178 0.02 . 3 . 1621 . A 125 PHE HE1 . 25402 1 1592 . 1 1 135 135 PHE HE2 H 1 7.178 0.02 . 3 . 1621 . A 125 PHE HE2 . 25402 1 1593 . 1 1 135 135 PHE HZ H 1 6.693 0.021 . 1 . 1948 . A 125 PHE HZ . 25402 1 1594 . 1 1 135 135 PHE C C 13 176.999 . . 1 . 1590 . A 125 PHE C . 25402 1 1595 . 1 1 135 135 PHE CA C 13 61.605 0.08 . 1 . 463 . A 125 PHE CA . 25402 1 1596 . 1 1 135 135 PHE CB C 13 39.341 0.048 . 1 . 527 . A 125 PHE CB . 25402 1 1597 . 1 1 135 135 PHE CD1 C 13 132.695 0.062 . 3 . 1952 . A 125 PHE CD1 . 25402 1 1598 . 1 1 135 135 PHE CD2 C 13 132.695 0.062 . 3 . 1952 . A 125 PHE CD2 . 25402 1 1599 . 1 1 135 135 PHE CE1 C 13 131.317 0.106 . 3 . 1950 . A 125 PHE CE1 . 25402 1 1600 . 1 1 135 135 PHE CE2 C 13 131.317 0.106 . 3 . 1950 . A 125 PHE CE2 . 25402 1 1601 . 1 1 135 135 PHE CZ C 13 128.730 0.058 . 1 . 1949 . A 125 PHE CZ . 25402 1 1602 . 1 1 135 135 PHE N N 15 119.126 0.068 . 1 . 208 . A 125 PHE N . 25402 1 1603 . 1 1 136 136 ILE H H 1 8.860 0.01 . 1 . 229 . A 126 ILE H . 25402 1 1604 . 1 1 136 136 ILE HA H 1 4.049 0.007 . 1 . 722 . A 126 ILE HA . 25402 1 1605 . 1 1 136 136 ILE HB H 1 2.097 0.008 . 1 . 723 . A 126 ILE HB . 25402 1 1606 . 1 1 136 136 ILE HG12 H 1 1.506 . . 2 . 1928 . A 126 ILE HG12 . 25402 1 1607 . 1 1 136 136 ILE HG13 H 1 1.418 . . 2 . 1930 . A 126 ILE HG13 . 25402 1 1608 . 1 1 136 136 ILE HG21 H 1 1.251 0.003 . 1 . 1263 . A 126 ILE HG21 . 25402 1 1609 . 1 1 136 136 ILE HG22 H 1 1.251 0.003 . 1 . 1263 . A 126 ILE HG22 . 25402 1 1610 . 1 1 136 136 ILE HG23 H 1 1.251 0.003 . 1 . 1263 . A 126 ILE HG23 . 25402 1 1611 . 1 1 136 136 ILE HD11 H 1 0.743 0.008 . 1 . 1265 . A 126 ILE HD11 . 25402 1 1612 . 1 1 136 136 ILE HD12 H 1 0.743 0.008 . 1 . 1265 . A 126 ILE HD12 . 25402 1 1613 . 1 1 136 136 ILE HD13 H 1 0.743 0.008 . 1 . 1265 . A 126 ILE HD13 . 25402 1 1614 . 1 1 136 136 ILE C C 13 176.401 0.031 . 1 . 1499 . A 126 ILE C . 25402 1 1615 . 1 1 136 136 ILE CA C 13 59.667 0.053 . 1 . 353 . A 126 ILE CA . 25402 1 1616 . 1 1 136 136 ILE CB C 13 39.574 0.027 . 1 . 354 . A 126 ILE CB . 25402 1 1617 . 1 1 136 136 ILE CG1 C 13 30.502 0.014 . 1 . 1929 . A 126 ILE CG1 . 25402 1 1618 . 1 1 136 136 ILE CG2 C 13 20.783 0.031 . 1 . 1264 . A 126 ILE CG2 . 25402 1 1619 . 1 1 136 136 ILE CD1 C 13 14.872 0.088 . 1 . 1266 . A 126 ILE CD1 . 25402 1 1620 . 1 1 136 136 ILE N N 15 117.243 0.046 . 1 . 230 . A 126 ILE N . 25402 1 1621 . 1 1 137 137 ASN H H 1 7.787 0.007 . 1 . 173 . A 127 ASN H . 25402 1 1622 . 1 1 137 137 ASN HA H 1 4.284 0.012 . 1 . 550 . A 127 ASN HA . 25402 1 1623 . 1 1 137 137 ASN HB2 H 1 2.885 0.006 . 2 . 549 . A 127 ASN HB2 . 25402 1 1624 . 1 1 137 137 ASN HB3 H 1 2.569 0.006 . 2 . 548 . A 127 ASN HB3 . 25402 1 1625 . 1 1 137 137 ASN HD21 H 1 7.680 0.01 . 1 . 305 . A 127 ASN HD21 . 25402 1 1626 . 1 1 137 137 ASN HD22 H 1 8.115 0.01 . 1 . 309 . A 127 ASN HD22 . 25402 1 1627 . 1 1 137 137 ASN C C 13 177.629 0.027 . 1 . 1262 . A 127 ASN C . 25402 1 1628 . 1 1 137 137 ASN CA C 13 57.938 0.081 . 1 . 401 . A 127 ASN CA . 25402 1 1629 . 1 1 137 137 ASN CB C 13 39.965 0.047 . 1 . 507 . A 127 ASN CB . 25402 1 1630 . 1 1 137 137 ASN N N 15 121.220 0.105 . 1 . 174 . A 127 ASN N . 25402 1 1631 . 1 1 137 137 ASN ND2 N 15 115.683 0.061 . 1 . 306 . A 127 ASN ND2 . 25402 1 1632 . 1 1 138 138 LYS H H 1 7.628 0.009 . 1 . 29 . A 128 LYS H . 25402 1 1633 . 1 1 138 138 LYS HA H 1 4.068 0.008 . 1 . 1250 . A 128 LYS HA . 25402 1 1634 . 1 1 138 138 LYS HB2 H 1 1.888 0.012 . 2 . 1254 . A 128 LYS HB2 . 25402 1 1635 . 1 1 138 138 LYS HB3 H 1 1.828 0.022 . 2 . 1255 . A 128 LYS HB3 . 25402 1 1636 . 1 1 138 138 LYS HG2 H 1 1.552 0.008 . 2 . 1256 . A 128 LYS HG2 . 25402 1 1637 . 1 1 138 138 LYS HG3 H 1 1.464 0.006 . 2 . 1257 . A 128 LYS HG3 . 25402 1 1638 . 1 1 138 138 LYS HD2 H 1 1.669 0.006 . 1 . 1258 . A 128 LYS HD2 . 25402 1 1639 . 1 1 138 138 LYS HD3 H 1 1.669 0.006 . 1 . 1259 . A 128 LYS HD3 . 25402 1 1640 . 1 1 138 138 LYS HE2 H 1 2.969 0.005 . 1 . 1260 . A 128 LYS HE2 . 25402 1 1641 . 1 1 138 138 LYS HE3 H 1 2.969 0.005 . 1 . 1261 . A 128 LYS HE3 . 25402 1 1642 . 1 1 138 138 LYS C C 13 179.727 0.032 . 1 . 1512 . A 128 LYS C . 25402 1 1643 . 1 1 138 138 LYS CA C 13 59.082 0.035 . 1 . 379 . A 128 LYS CA . 25402 1 1644 . 1 1 138 138 LYS CB C 13 32.391 0.05 . 1 . 941 . A 128 LYS CB . 25402 1 1645 . 1 1 138 138 LYS CG C 13 25.312 0.023 . 1 . 1251 . A 128 LYS CG . 25402 1 1646 . 1 1 138 138 LYS CD C 13 29.121 0.046 . 1 . 1252 . A 128 LYS CD . 25402 1 1647 . 1 1 138 138 LYS CE C 13 42.119 0.025 . 1 . 1253 . A 128 LYS CE . 25402 1 1648 . 1 1 138 138 LYS N N 15 119.547 0.061 . 1 . 30 . A 128 LYS N . 25402 1 1649 . 1 1 139 139 VAL H H 1 7.832 0.006 . 1 . 241 . A 129 VAL H . 25402 1 1650 . 1 1 139 139 VAL HA H 1 3.571 0.005 . 1 . 725 . A 129 VAL HA . 25402 1 1651 . 1 1 139 139 VAL HB H 1 1.472 0.007 . 1 . 726 . A 129 VAL HB . 25402 1 1652 . 1 1 139 139 VAL HG11 H 1 0.460 0.005 . 2 . 1146 . A 129 VAL HG11 . 25402 1 1653 . 1 1 139 139 VAL HG12 H 1 0.460 0.005 . 2 . 1146 . A 129 VAL HG12 . 25402 1 1654 . 1 1 139 139 VAL HG13 H 1 0.460 0.005 . 2 . 1146 . A 129 VAL HG13 . 25402 1 1655 . 1 1 139 139 VAL HG21 H 1 0.304 0.007 . 2 . 728 . A 129 VAL HG21 . 25402 1 1656 . 1 1 139 139 VAL HG22 H 1 0.304 0.007 . 2 . 728 . A 129 VAL HG22 . 25402 1 1657 . 1 1 139 139 VAL HG23 H 1 0.304 0.007 . 2 . 728 . A 129 VAL HG23 . 25402 1 1658 . 1 1 139 139 VAL C C 13 176.711 . . 1 . 1568 . A 129 VAL C . 25402 1 1659 . 1 1 139 139 VAL CA C 13 65.661 0.047 . 1 . 1147 . A 129 VAL CA . 25402 1 1660 . 1 1 139 139 VAL CB C 13 32.062 0.052 . 1 . 724 . A 129 VAL CB . 25402 1 1661 . 1 1 139 139 VAL CG1 C 13 21.866 0.067 . 2 . 1145 . A 129 VAL CG1 . 25402 1 1662 . 1 1 139 139 VAL CG2 C 13 22.389 0.035 . 2 . 727 . A 129 VAL CG2 . 25402 1 1663 . 1 1 139 139 VAL N N 15 116.525 0.019 . 1 . 242 . A 129 VAL N . 25402 1 1664 . 1 1 140 140 ALA H H 1 8.192 0.011 . 1 . 231 . A 130 ALA H . 25402 1 1665 . 1 1 140 140 ALA HA H 1 3.953 0.004 . 1 . 729 . A 130 ALA HA . 25402 1 1666 . 1 1 140 140 ALA HB1 H 1 1.320 0.008 . 1 . 730 . A 130 ALA HB1 . 25402 1 1667 . 1 1 140 140 ALA HB2 H 1 1.320 0.008 . 1 . 730 . A 130 ALA HB2 . 25402 1 1668 . 1 1 140 140 ALA HB3 H 1 1.320 0.008 . 1 . 730 . A 130 ALA HB3 . 25402 1 1669 . 1 1 140 140 ALA C C 13 176.573 . . 1 . 1570 . A 130 ALA C . 25402 1 1670 . 1 1 140 140 ALA CA C 13 53.880 0.052 . 1 . 887 . A 130 ALA CA . 25402 1 1671 . 1 1 140 140 ALA CB C 13 19.658 0.071 . 1 . 351 . A 130 ALA CB . 25402 1 1672 . 1 1 140 140 ALA N N 15 117.203 0.051 . 1 . 232 . A 130 ALA N . 25402 1 1673 . 1 1 141 141 GLY H H 1 7.103 0.008 . 1 . 1048 . A 131 GLY H . 25402 1 1674 . 1 1 141 141 GLY HA2 H 1 3.887 0.008 . 2 . 731 . A 131 GLY HA2 . 25402 1 1675 . 1 1 141 141 GLY HA3 H 1 3.749 0.007 . 2 . 1166 . A 131 GLY HA3 . 25402 1 1676 . 1 1 141 141 GLY C C 13 173.815 0.006 . 1 . 1569 . A 131 GLY C . 25402 1 1677 . 1 1 141 141 GLY CA C 13 44.953 0.08 . 1 . 465 . A 131 GLY CA . 25402 1 1678 . 1 1 141 141 GLY N N 15 98.801 0.057 . 1 . 155 . A 131 GLY N . 25402 1 1679 . 1 1 142 142 HIS H H 1 7.620 0.005 . 1 . 7 . A 132 HIS H . 25402 1 1680 . 1 1 142 142 HIS HA H 1 4.671 0.006 . 1 . 1152 . A 132 HIS HA . 25402 1 1681 . 1 1 142 142 HIS HB2 H 1 3.123 0.007 . 2 . 1151 . A 132 HIS HB2 . 25402 1 1682 . 1 1 142 142 HIS HB3 H 1 3.298 0.01 . 2 . 1150 . A 132 HIS HB3 . 25402 1 1683 . 1 1 142 142 HIS HD2 H 1 7.152 0.004 . 1 . 2413 . A 132 HIS HD2 . 25402 1 1684 . 1 1 142 142 HIS HE1 H 1 7.692 0.005 . 1 . 2418 . A 132 HIS HE1 . 25402 1 1685 . 1 1 142 142 HIS C C 13 175.587 . . 1 . 1593 . A 132 HIS C . 25402 1 1686 . 1 1 142 142 HIS CA C 13 55.137 . . 1 . 1148 . A 132 HIS CA . 25402 1 1687 . 1 1 142 142 HIS CB C 13 32.218 0.053 . 1 . 1149 . A 132 HIS CB . 25402 1 1688 . 1 1 142 142 HIS CD2 C 13 118.500 0.104 . 1 . 2414 . A 132 HIS CD2 . 25402 1 1689 . 1 1 142 142 HIS CE1 C 13 139.095 0.026 . 1 . 2419 . A 132 HIS CE1 . 25402 1 1690 . 1 1 142 142 HIS N N 15 124.851 0.04 . 1 . 8 . A 132 HIS N . 25402 1 1691 . 1 1 143 143 PRO HA H 1 4.085 0.007 . 1 . 938 . A 133 PRO HA . 25402 1 1692 . 1 1 143 143 PRO HB2 H 1 2.314 0.004 . 2 . 939 . A 133 PRO HB2 . 25402 1 1693 . 1 1 143 143 PRO HB3 H 1 1.890 0.004 . 2 . 940 . A 133 PRO HB3 . 25402 1 1694 . 1 1 143 143 PRO HG2 H 1 1.891 0.005 . 1 . 1598 . A 133 PRO HG2 . 25402 1 1695 . 1 1 143 143 PRO HG3 H 1 1.891 0.005 . 1 . 1600 . A 133 PRO HG3 . 25402 1 1696 . 1 1 143 143 PRO HD2 H 1 2.938 0.003 . 2 . 1603 . A 133 PRO HD2 . 25402 1 1697 . 1 1 143 143 PRO HD3 H 1 3.780 0.012 . 2 . 1601 . A 133 PRO HD3 . 25402 1 1698 . 1 1 143 143 PRO C C 13 179.432 . . 1 . 1594 . A 133 PRO C . 25402 1 1699 . 1 1 143 143 PRO CA C 13 65.187 0.021 . 1 . 497 . A 133 PRO CA . 25402 1 1700 . 1 1 143 143 PRO CB C 13 32.402 0.044 . 1 . 496 . A 133 PRO CB . 25402 1 1701 . 1 1 143 143 PRO CG C 13 27.437 0.075 . 1 . 1599 . A 133 PRO CG . 25402 1 1702 . 1 1 143 143 PRO CD C 13 50.768 0.091 . 1 . 1602 . A 133 PRO CD . 25402 1 1703 . 1 1 144 144 LEU H H 1 10.002 0.011 . 1 . 1242 . A 134 LEU H . 25402 1 1704 . 1 1 144 144 LEU HA H 1 4.376 0.01 . 1 . 732 . A 134 LEU HA . 25402 1 1705 . 1 1 144 144 LEU HB2 H 1 1.799 0.011 . 2 . 733 . A 134 LEU HB2 . 25402 1 1706 . 1 1 144 144 LEU HB3 H 1 1.457 0.008 . 2 . 734 . A 134 LEU HB3 . 25402 1 1707 . 1 1 144 144 LEU HG H 1 1.860 0.012 . 1 . 1155 . A 134 LEU HG . 25402 1 1708 . 1 1 144 144 LEU HD11 H 1 0.958 0.012 . 2 . 1158 . A 134 LEU HD11 . 25402 1 1709 . 1 1 144 144 LEU HD12 H 1 0.958 0.012 . 2 . 1158 . A 134 LEU HD12 . 25402 1 1710 . 1 1 144 144 LEU HD13 H 1 0.958 0.012 . 2 . 1158 . A 134 LEU HD13 . 25402 1 1711 . 1 1 144 144 LEU HD21 H 1 0.904 0.012 . 2 . 1156 . A 134 LEU HD21 . 25402 1 1712 . 1 1 144 144 LEU HD22 H 1 0.904 0.012 . 2 . 1156 . A 134 LEU HD22 . 25402 1 1713 . 1 1 144 144 LEU HD23 H 1 0.904 0.012 . 2 . 1156 . A 134 LEU HD23 . 25402 1 1714 . 1 1 144 144 LEU C C 13 180.666 0.023 . 1 . 1571 . A 134 LEU C . 25402 1 1715 . 1 1 144 144 LEU CA C 13 56.903 0.037 . 1 . 355 . A 134 LEU CA . 25402 1 1716 . 1 1 144 144 LEU CB C 13 41.371 0.046 . 1 . 356 . A 134 LEU CB . 25402 1 1717 . 1 1 144 144 LEU CG C 13 27.190 0.05 . 1 . 1154 . A 134 LEU CG . 25402 1 1718 . 1 1 144 144 LEU CD1 C 13 25.330 0.046 . 2 . 1153 . A 134 LEU CD1 . 25402 1 1719 . 1 1 144 144 LEU CD2 C 13 22.605 0.053 . 2 . 1157 . A 134 LEU CD2 . 25402 1 1720 . 1 1 144 144 LEU N N 15 117.399 0.05 . 1 . 294 . A 134 LEU N . 25402 1 1721 . 1 1 145 145 ALA H H 1 7.679 0.007 . 1 . 15 . A 135 ALA H . 25402 1 1722 . 1 1 145 145 ALA HA H 1 4.018 0.018 . 1 . 1106 . A 135 ALA HA . 25402 1 1723 . 1 1 145 145 ALA HB1 H 1 1.498 0.004 . 1 . 1107 . A 135 ALA HB1 . 25402 1 1724 . 1 1 145 145 ALA HB2 H 1 1.498 0.004 . 1 . 1107 . A 135 ALA HB2 . 25402 1 1725 . 1 1 145 145 ALA HB3 H 1 1.498 0.004 . 1 . 1107 . A 135 ALA HB3 . 25402 1 1726 . 1 1 145 145 ALA C C 13 178.904 0.022 . 1 . 1572 . A 135 ALA C . 25402 1 1727 . 1 1 145 145 ALA CA C 13 54.697 0.032 . 1 . 408 . A 135 ALA CA . 25402 1 1728 . 1 1 145 145 ALA CB C 13 19.358 0.023 . 1 . 462 . A 135 ALA CB . 25402 1 1729 . 1 1 145 145 ALA N N 15 122.663 0.031 . 1 . 16 . A 135 ALA N . 25402 1 1730 . 1 1 146 146 GLN H H 1 7.650 0.007 . 1 . 63 . A 136 GLN H . 25402 1 1731 . 1 1 146 146 GLN HA H 1 3.756 0.006 . 1 . 736 . A 136 GLN HA . 25402 1 1732 . 1 1 146 146 GLN HB2 H 1 2.125 0.021 . 2 . 737 . A 136 GLN HB2 . 25402 1 1733 . 1 1 146 146 GLN HB3 H 1 1.927 0.006 . 2 . 738 . A 136 GLN HB3 . 25402 1 1734 . 1 1 146 146 GLN HG2 H 1 2.678 0.005 . 2 . 739 . A 136 GLN HG2 . 25402 1 1735 . 1 1 146 146 GLN HG3 H 1 2.193 0.005 . 2 . 740 . A 136 GLN HG3 . 25402 1 1736 . 1 1 146 146 GLN HE21 H 1 8.073 0.01 . 1 . 1595 . A 136 GLN HE21 . 25402 1 1737 . 1 1 146 146 GLN HE22 H 1 6.562 0.008 . 1 . 284 . A 136 GLN HE22 . 25402 1 1738 . 1 1 146 146 GLN C C 13 175.488 . . 1 . 1573 . A 136 GLN C . 25402 1 1739 . 1 1 146 146 GLN CA C 13 58.258 0.034 . 1 . 317 . A 136 GLN CA . 25402 1 1740 . 1 1 146 146 GLN CB C 13 28.296 0.038 . 1 . 735 . A 136 GLN CB . 25402 1 1741 . 1 1 146 146 GLN CG C 13 34.197 0.057 . 1 . 741 . A 136 GLN CG . 25402 1 1742 . 1 1 146 146 GLN N N 15 112.512 0.051 . 1 . 64 . A 136 GLN N . 25402 1 1743 . 1 1 146 146 GLN NE2 N 15 107.943 0.048 . 1 . 285 . A 136 GLN NE2 . 25402 1 1744 . 1 1 147 147 ASN H H 1 7.230 0.011 . 1 . 56 . A 137 ASN H . 25402 1 1745 . 1 1 147 147 ASN HA H 1 4.904 0.007 . 1 . 742 . A 137 ASN HA . 25402 1 1746 . 1 1 147 147 ASN HB2 H 1 2.947 0.005 . 2 . 743 . A 137 ASN HB2 . 25402 1 1747 . 1 1 147 147 ASN HB3 H 1 2.679 0.007 . 2 . 744 . A 137 ASN HB3 . 25402 1 1748 . 1 1 147 147 ASN HD21 H 1 7.001 0.007 . 1 . 79 . A 137 ASN HD21 . 25402 1 1749 . 1 1 147 147 ASN HD22 H 1 7.701 0.007 . 1 . 272 . A 137 ASN HD22 . 25402 1 1750 . 1 1 147 147 ASN C C 13 175.353 . . 1 . 1505 . A 137 ASN C . 25402 1 1751 . 1 1 147 147 ASN CA C 13 52.458 0.087 . 1 . 322 . A 137 ASN CA . 25402 1 1752 . 1 1 147 147 ASN CB C 13 39.561 0.074 . 1 . 324 . A 137 ASN CB . 25402 1 1753 . 1 1 147 147 ASN CG C 13 176.869 0.02 . 1 . 1546 . A 137 ASN CG . 25402 1 1754 . 1 1 147 147 ASN N N 15 113.070 0.043 . 1 . 57 . A 137 ASN N . 25402 1 1755 . 1 1 147 147 ASN ND2 N 15 111.499 0.09 . 1 . 80 . A 137 ASN ND2 . 25402 1 1756 . 1 1 148 148 GLU H H 1 7.667 0.006 . 1 . 35 . A 138 GLU H . 25402 1 1757 . 1 1 148 148 GLU HA H 1 4.550 0.007 . 1 . 1624 . A 138 GLU HA . 25402 1 1758 . 1 1 148 148 GLU HB2 H 1 2.115 0.003 . 2 . 1827 . A 138 GLU HB2 . 25402 1 1759 . 1 1 148 148 GLU HB3 H 1 2.366 0.005 . 2 . 1826 . A 138 GLU HB3 . 25402 1 1760 . 1 1 148 148 GLU HG2 H 1 2.111 0.006 . 2 . 1623 . A 138 GLU HG2 . 25402 1 1761 . 1 1 148 148 GLU HG3 H 1 2.359 0.01 . 2 . 1824 . A 138 GLU HG3 . 25402 1 1762 . 1 1 148 148 GLU C C 13 177.725 0.022 . 1 . 1492 . A 138 GLU C . 25402 1 1763 . 1 1 148 148 GLU CA C 13 55.428 0.018 . 1 . 1823 . A 138 GLU CA . 25402 1 1764 . 1 1 148 148 GLU CB C 13 30.880 0.027 . 1 . 1825 . A 138 GLU CB . 25402 1 1765 . 1 1 148 148 GLU CG C 13 35.150 0.051 . 1 . 1622 . A 138 GLU CG . 25402 1 1766 . 1 1 148 148 GLU N N 15 118.703 0.068 . 1 . 36 . A 138 GLU N . 25402 1 1767 . 1 1 149 149 ARG H H 1 8.932 0.008 . 1 . 106 . A 139 ARG H . 25402 1 1768 . 1 1 149 149 ARG HA H 1 4.049 0.005 . 1 . 1400 . A 139 ARG HA . 25402 1 1769 . 1 1 149 149 ARG HB2 H 1 2.125 0.012 . 1 . 1397 . A 139 ARG HB2 . 25402 1 1770 . 1 1 149 149 ARG HB3 H 1 2.124 0.012 . 1 . 1398 . A 139 ARG HB3 . 25402 1 1771 . 1 1 149 149 ARG HG2 H 1 1.763 0.011 . 2 . 1402 . A 139 ARG HG2 . 25402 1 1772 . 1 1 149 149 ARG HG3 H 1 1.905 0.014 . 2 . 1401 . A 139 ARG HG3 . 25402 1 1773 . 1 1 149 149 ARG HD2 H 1 3.287 0.011 . 2 . 1393 . A 139 ARG HD2 . 25402 1 1774 . 1 1 149 149 ARG HD3 H 1 3.325 0.01 . 2 . 1395 . A 139 ARG HD3 . 25402 1 1775 . 1 1 149 149 ARG C C 13 179.068 0.04 . 1 . 1493 . A 139 ARG C . 25402 1 1776 . 1 1 149 149 ARG CA C 13 59.670 0.046 . 1 . 1399 . A 139 ARG CA . 25402 1 1777 . 1 1 149 149 ARG CB C 13 29.765 0.049 . 1 . 942 . A 139 ARG CB . 25402 1 1778 . 1 1 149 149 ARG CG C 13 27.616 0.087 . 1 . 1396 . A 139 ARG CG . 25402 1 1779 . 1 1 149 149 ARG CD C 13 43.110 0.049 . 1 . 1394 . A 139 ARG CD . 25402 1 1780 . 1 1 149 149 ARG N N 15 125.425 0.078 . 1 . 107 . A 139 ARG N . 25402 1 1781 . 1 1 150 150 CYS H H 1 9.313 0.005 . 1 . 290 . A 140 CYS H . 25402 1 1782 . 1 1 150 150 CYS HA H 1 4.417 0.009 . 1 . 745 . A 140 CYS HA . 25402 1 1783 . 1 1 150 150 CYS HB2 H 1 2.508 0.005 . 2 . 1627 . A 140 CYS HB2 . 25402 1 1784 . 1 1 150 150 CYS HB3 H 1 3.354 0.01 . 2 . 1626 . A 140 CYS HB3 . 25402 1 1785 . 1 1 150 150 CYS C C 13 175.688 0.002 . 1 . 1502 . A 140 CYS C . 25402 1 1786 . 1 1 150 150 CYS CA C 13 60.150 0.084 . 1 . 337 . A 140 CYS CA . 25402 1 1787 . 1 1 150 150 CYS CB C 13 25.883 0.032 . 1 . 1625 . A 140 CYS CB . 25402 1 1788 . 1 1 150 150 CYS N N 15 114.644 0.044 . 1 . 291 . A 140 CYS N . 25402 1 1789 . 1 1 151 151 LEU H H 1 7.109 0.012 . 1 . 156 . A 141 LEU H . 25402 1 1790 . 1 1 151 151 LEU HA H 1 4.072 0.006 . 1 . 1631 . A 141 LEU HA . 25402 1 1791 . 1 1 151 151 LEU HB2 H 1 2.156 0.016 . 2 . 1628 . A 141 LEU HB2 . 25402 1 1792 . 1 1 151 151 LEU HB3 H 1 1.329 0.013 . 2 . 1630 . A 141 LEU HB3 . 25402 1 1793 . 1 1 151 151 LEU HG H 1 1.510 0.004 . 1 . 1822 . A 141 LEU HG . 25402 1 1794 . 1 1 151 151 LEU HD11 H 1 0.772 0.004 . 2 . 1821 . A 141 LEU HD11 . 25402 1 1795 . 1 1 151 151 LEU HD12 H 1 0.772 0.004 . 2 . 1821 . A 141 LEU HD12 . 25402 1 1796 . 1 1 151 151 LEU HD13 H 1 0.772 0.004 . 2 . 1821 . A 141 LEU HD13 . 25402 1 1797 . 1 1 151 151 LEU HD21 H 1 0.770 0.005 . 2 . 1629 . A 141 LEU HD21 . 25402 1 1798 . 1 1 151 151 LEU HD22 H 1 0.770 0.005 . 2 . 1629 . A 141 LEU HD22 . 25402 1 1799 . 1 1 151 151 LEU HD23 H 1 0.770 0.005 . 2 . 1629 . A 141 LEU HD23 . 25402 1 1800 . 1 1 151 151 LEU C C 13 178.251 0.021 . 1 . 1501 . A 141 LEU C . 25402 1 1801 . 1 1 151 151 LEU CA C 13 57.899 0.014 . 1 . 416 . A 141 LEU CA . 25402 1 1802 . 1 1 151 151 LEU CB C 13 42.061 0.046 . 1 . 746 . A 141 LEU CB . 25402 1 1803 . 1 1 151 151 LEU CG C 13 27.148 0.06 . 1 . 1791 . A 141 LEU CG . 25402 1 1804 . 1 1 151 151 LEU CD1 C 13 25.688 0.064 . 2 . 1820 . A 141 LEU CD1 . 25402 1 1805 . 1 1 151 151 LEU CD2 C 13 24.065 0.055 . 2 . 1819 . A 141 LEU CD2 . 25402 1 1806 . 1 1 151 151 LEU N N 15 123.422 0.036 . 1 . 157 . A 141 LEU N . 25402 1 1807 . 1 1 152 152 HIS H H 1 7.226 0.007 . 1 . 158 . A 142 HIS H . 25402 1 1808 . 1 1 152 152 HIS HA H 1 3.812 0.009 . 1 . 909 . A 142 HIS HA . 25402 1 1809 . 1 1 152 152 HIS HB2 H 1 3.074 0.005 . 2 . 1818 . A 142 HIS HB2 . 25402 1 1810 . 1 1 152 152 HIS HB3 H 1 3.261 0.004 . 2 . 908 . A 142 HIS HB3 . 25402 1 1811 . 1 1 152 152 HIS C C 13 178.357 0.0 . 1 . 1500 . A 142 HIS C . 25402 1 1812 . 1 1 152 152 HIS CA C 13 61.449 0.034 . 1 . 394 . A 142 HIS CA . 25402 1 1813 . 1 1 152 152 HIS CB C 13 31.379 0.064 . 1 . 747 . A 142 HIS CB . 25402 1 1814 . 1 1 152 152 HIS N N 15 120.774 0.073 . 1 . 159 . A 142 HIS N . 25402 1 1815 . 1 1 153 153 MET H H 1 8.694 0.005 . 1 . 187 . A 143 MET H . 25402 1 1816 . 1 1 153 153 MET HA H 1 4.123 0.007 . 1 . 906 . A 143 MET HA . 25402 1 1817 . 1 1 153 153 MET HB2 H 1 2.126 0.008 . 2 . 1100 . A 143 MET HB2 . 25402 1 1818 . 1 1 153 153 MET HB3 H 1 2.138 0.008 . 2 . 905 . A 143 MET HB3 . 25402 1 1819 . 1 1 153 153 MET HG2 H 1 2.690 0.007 . 2 . 904 . A 143 MET HG2 . 25402 1 1820 . 1 1 153 153 MET HG3 H 1 2.347 0.013 . 2 . 1249 . A 143 MET HG3 . 25402 1 1821 . 1 1 153 153 MET HE1 H 1 1.884 0.006 . 1 . 1101 . A 143 MET HE1 . 25402 1 1822 . 1 1 153 153 MET HE2 H 1 1.884 0.006 . 1 . 1101 . A 143 MET HE2 . 25402 1 1823 . 1 1 153 153 MET HE3 H 1 1.884 0.006 . 1 . 1101 . A 143 MET HE3 . 25402 1 1824 . 1 1 153 153 MET C C 13 177.984 . . 1 . 1829 . A 143 MET C . 25402 1 1825 . 1 1 153 153 MET CA C 13 58.466 0.079 . 1 . 389 . A 143 MET CA . 25402 1 1826 . 1 1 153 153 MET CB C 13 34.666 0.088 . 1 . 547 . A 143 MET CB . 25402 1 1827 . 1 1 153 153 MET CG C 13 30.049 0.043 . 1 . 907 . A 143 MET CG . 25402 1 1828 . 1 1 153 153 MET CE C 13 16.399 0.022 . 1 . 1103 . A 143 MET CE . 25402 1 1829 . 1 1 153 153 MET N N 15 120.436 0.048 . 1 . 188 . A 143 MET N . 25402 1 1830 . 1 1 154 154 PHE H H 1 8.336 0.012 . 1 . 510 . A 144 PHE H . 25402 1 1831 . 1 1 154 154 PHE HA H 1 3.695 0.006 . 1 . 1831 . A 144 PHE HA . 25402 1 1832 . 1 1 154 154 PHE HB2 H 1 3.395 0.009 . 1 . 1994 . A 144 PHE HB2 . 25402 1 1833 . 1 1 154 154 PHE HB3 H 1 3.395 0.009 . 1 . 1993 . A 144 PHE HB3 . 25402 1 1834 . 1 1 154 154 PHE HD1 H 1 6.959 0.007 . 3 . 1932 . A 144 PHE HD1 . 25402 1 1835 . 1 1 154 154 PHE HD2 H 1 6.959 0.007 . 3 . 1932 . A 144 PHE HD2 . 25402 1 1836 . 1 1 154 154 PHE HE1 H 1 7.047 . . 3 . 1931 . A 144 PHE HE1 . 25402 1 1837 . 1 1 154 154 PHE HE2 H 1 7.047 . . 3 . 1931 . A 144 PHE HE2 . 25402 1 1838 . 1 1 154 154 PHE HZ H 1 6.836 . . 1 . 1933 . A 144 PHE HZ . 25402 1 1839 . 1 1 154 154 PHE C C 13 176.934 0.007 . 1 . 1830 . A 144 PHE C . 25402 1 1840 . 1 1 154 154 PHE CA C 13 62.676 0.059 . 1 . 1828 . A 144 PHE CA . 25402 1 1841 . 1 1 154 154 PHE CB C 13 40.606 0.07 . 1 . 1992 . A 144 PHE CB . 25402 1 1842 . 1 1 154 154 PHE N N 15 116.148 0.065 . 1 . 509 . A 144 PHE N . 25402 1 1843 . 1 1 155 155 LEU H H 1 8.348 0.005 . 1 . 260 . A 145 LEU H . 25402 1 1844 . 1 1 155 155 LEU HA H 1 4.063 0.003 . 1 . 1246 . A 145 LEU HA . 25402 1 1845 . 1 1 155 155 LEU HB2 H 1 1.882 0.01 . 2 . 1245 . A 145 LEU HB2 . 25402 1 1846 . 1 1 155 155 LEU HB3 H 1 1.318 0.012 . 2 . 1244 . A 145 LEU HB3 . 25402 1 1847 . 1 1 155 155 LEU HG H 1 2.086 0.009 . 1 . 1936 . A 145 LEU HG . 25402 1 1848 . 1 1 155 155 LEU HD11 H 1 0.776 0.005 . 2 . 1935 . A 145 LEU HD11 . 25402 1 1849 . 1 1 155 155 LEU HD12 H 1 0.776 0.005 . 2 . 1935 . A 145 LEU HD12 . 25402 1 1850 . 1 1 155 155 LEU HD13 H 1 0.776 0.005 . 2 . 1935 . A 145 LEU HD13 . 25402 1 1851 . 1 1 155 155 LEU HD21 H 1 0.818 0.018 . 2 . 1938 . A 145 LEU HD21 . 25402 1 1852 . 1 1 155 155 LEU HD22 H 1 0.818 0.018 . 2 . 1938 . A 145 LEU HD22 . 25402 1 1853 . 1 1 155 155 LEU HD23 H 1 0.818 0.018 . 2 . 1938 . A 145 LEU HD23 . 25402 1 1854 . 1 1 155 155 LEU C C 13 176.966 0.022 . 1 . 1833 . A 145 LEU C . 25402 1 1855 . 1 1 155 155 LEU CA C 13 56.806 0.051 . 1 . 526 . A 145 LEU CA . 25402 1 1856 . 1 1 155 155 LEU CB C 13 44.761 0.081 . 1 . 551 . A 145 LEU CB . 25402 1 1857 . 1 1 155 155 LEU CG C 13 27.111 0.077 . 1 . 1937 . A 145 LEU CG . 25402 1 1858 . 1 1 155 155 LEU CD1 C 13 26.199 0.068 . 2 . 1934 . A 145 LEU CD1 . 25402 1 1859 . 1 1 155 155 LEU CD2 C 13 22.715 0.022 . 2 . 1939 . A 145 LEU CD2 . 25402 1 1860 . 1 1 155 155 LEU N N 15 112.939 0.067 . 1 . 261 . A 145 LEU N . 25402 1 1861 . 1 1 156 156 GLN H H 1 8.130 0.011 . 1 . 1850 . A 146 GLN H . 25402 1 1862 . 1 1 156 156 GLN HA H 1 4.717 . . 1 . 1852 . A 146 GLN HA . 25402 1 1863 . 1 1 156 156 GLN HB2 H 1 2.246 0.005 . 1 . 1848 . A 146 GLN HB2 . 25402 1 1864 . 1 1 156 156 GLN HB3 H 1 2.246 0.005 . 1 . 1851 . A 146 GLN HB3 . 25402 1 1865 . 1 1 156 156 GLN HG2 H 1 2.213 0.019 . 1 . 1855 . A 146 GLN HG2 . 25402 1 1866 . 1 1 156 156 GLN HG3 H 1 2.213 0.019 . 1 . 1854 . A 146 GLN HG3 . 25402 1 1867 . 1 1 156 156 GLN C C 13 176.078 . . 1 . 1832 . A 146 GLN C . 25402 1 1868 . 1 1 156 156 GLN CA C 13 57.057 0.027 . 1 . 1834 . A 146 GLN CA . 25402 1 1869 . 1 1 156 156 GLN CB C 13 31.614 0.115 . 1 . 1849 . A 146 GLN CB . 25402 1 1870 . 1 1 156 156 GLN CG C 13 35.024 0.004 . 1 . 1853 . A 146 GLN CG . 25402 1 1871 . 1 1 156 156 GLN N N 15 109.513 0.042 . 1 . 273 . A 146 GLN N . 25402 1 1872 . 1 1 157 157 ASP H H 1 7.465 0.018 . 1 . 448 . A 147 ASP H . 25402 1 1873 . 1 1 157 157 ASP HA H 1 4.899 0.002 . 1 . 1838 . A 147 ASP HA . 25402 1 1874 . 1 1 157 157 ASP HB2 H 1 2.634 0.011 . 2 . 1837 . A 147 ASP HB2 . 25402 1 1875 . 1 1 157 157 ASP HB3 H 1 2.778 0.009 . 2 . 1836 . A 147 ASP HB3 . 25402 1 1876 . 1 1 157 157 ASP C C 13 176.006 . . 1 . 1840 . A 147 ASP C . 25402 1 1877 . 1 1 157 157 ASP CA C 13 53.789 0.096 . 1 . 1835 . A 147 ASP CA . 25402 1 1878 . 1 1 157 157 ASP CB C 13 40.998 0.103 . 1 . 1839 . A 147 ASP CB . 25402 1 1879 . 1 1 157 157 ASP N N 15 121.461 0.031 . 1 . 449 . A 147 ASP N . 25402 1 1880 . 1 1 158 158 GLU H H 1 8.792 0.004 . 1 . 163 . A 148 GLU H . 25402 1 1881 . 1 1 158 158 GLU HA H 1 3.918 0.004 . 1 . 1384 . A 148 GLU HA . 25402 1 1882 . 1 1 158 158 GLU HB2 H 1 2.110 0.006 . 2 . 1388 . A 148 GLU HB2 . 25402 1 1883 . 1 1 158 158 GLU HB3 H 1 2.009 0.003 . 2 . 1385 . A 148 GLU HB3 . 25402 1 1884 . 1 1 158 158 GLU HG2 H 1 2.256 0.005 . 2 . 1387 . A 148 GLU HG2 . 25402 1 1885 . 1 1 158 158 GLU HG3 H 1 2.373 0.002 . 2 . 1386 . A 148 GLU HG3 . 25402 1 1886 . 1 1 158 158 GLU CA C 13 60.858 0.063 . 1 . 1381 . A 148 GLU CA . 25402 1 1887 . 1 1 158 158 GLU CB C 13 29.832 0.044 . 1 . 1382 . A 148 GLU CB . 25402 1 1888 . 1 1 158 158 GLU CG C 13 36.177 0.021 . 1 . 1383 . A 148 GLU CG . 25402 1 1889 . 1 1 158 158 GLU N N 15 122.118 0.061 . 1 . 164 . A 148 GLU N . 25402 1 1890 . 1 1 159 159 ILE H H 1 7.940 0.005 . 1 . 251 . A 149 ILE H . 25402 1 1891 . 1 1 159 159 ILE HA H 1 4.325 0.004 . 1 . 1129 . A 149 ILE HA . 25402 1 1892 . 1 1 159 159 ILE HB H 1 1.673 0.005 . 1 . 1132 . A 149 ILE HB . 25402 1 1893 . 1 1 159 159 ILE HG12 H 1 1.261 0.004 . 2 . 1131 . A 149 ILE HG12 . 25402 1 1894 . 1 1 159 159 ILE HG13 H 1 1.026 0.01 . 2 . 1135 . A 149 ILE HG13 . 25402 1 1895 . 1 1 159 159 ILE HG21 H 1 0.769 0.004 . 1 . 1137 . A 149 ILE HG21 . 25402 1 1896 . 1 1 159 159 ILE HG22 H 1 0.769 0.004 . 1 . 1137 . A 149 ILE HG22 . 25402 1 1897 . 1 1 159 159 ILE HG23 H 1 0.769 0.004 . 1 . 1137 . A 149 ILE HG23 . 25402 1 1898 . 1 1 159 159 ILE HD11 H 1 0.773 0.005 . 1 . 1954 . A 149 ILE HD11 . 25402 1 1899 . 1 1 159 159 ILE HD12 H 1 0.773 0.005 . 1 . 1954 . A 149 ILE HD12 . 25402 1 1900 . 1 1 159 159 ILE HD13 H 1 0.773 0.005 . 1 . 1954 . A 149 ILE HD13 . 25402 1 1901 . 1 1 159 159 ILE CA C 13 58.620 0.047 . 1 . 1128 . A 149 ILE CA . 25402 1 1902 . 1 1 159 159 ILE CB C 13 41.272 0.033 . 1 . 1133 . A 149 ILE CB . 25402 1 1903 . 1 1 159 159 ILE CG1 C 13 26.720 0.02 . 1 . 1130 . A 149 ILE CG1 . 25402 1 1904 . 1 1 159 159 ILE CG2 C 13 17.619 0.04 . 1 . 1136 . A 149 ILE CG2 . 25402 1 1905 . 1 1 159 159 ILE CD1 C 13 12.882 0.038 . 1 . 1134 . A 149 ILE CD1 . 25402 1 1906 . 1 1 159 159 ILE N N 15 114.907 0.077 . 1 . 252 . A 149 ILE N . 25402 1 1907 . 1 1 160 160 ILE H H 1 8.448 0.008 . 1 . 2407 . A 150 ILE H . 25402 1 1908 . 1 1 160 160 ILE HA H 1 3.367 0.01 . 1 . 1087 . A 150 ILE HA . 25402 1 1909 . 1 1 160 160 ILE HB H 1 1.168 0.007 . 1 . 1143 . A 150 ILE HB . 25402 1 1910 . 1 1 160 160 ILE HG12 H 1 1.266 0.005 . 2 . 1141 . A 150 ILE HG12 . 25402 1 1911 . 1 1 160 160 ILE HG13 H 1 0.355 0.009 . 2 . 1142 . A 150 ILE HG13 . 25402 1 1912 . 1 1 160 160 ILE HG21 H 1 -0.489 0.009 . 1 . 1139 . A 150 ILE HG21 . 25402 1 1913 . 1 1 160 160 ILE HG22 H 1 -0.489 0.009 . 1 . 1139 . A 150 ILE HG22 . 25402 1 1914 . 1 1 160 160 ILE HG23 H 1 -0.489 0.009 . 1 . 1139 . A 150 ILE HG23 . 25402 1 1915 . 1 1 160 160 ILE HD11 H 1 0.611 0.009 . 1 . 1089 . A 150 ILE HD11 . 25402 1 1916 . 1 1 160 160 ILE HD12 H 1 0.611 0.009 . 1 . 1089 . A 150 ILE HD12 . 25402 1 1917 . 1 1 160 160 ILE HD13 H 1 0.611 0.009 . 1 . 1089 . A 150 ILE HD13 . 25402 1 1918 . 1 1 160 160 ILE C C 13 174.867 . . 1 . 1391 . A 150 ILE C . 25402 1 1919 . 1 1 160 160 ILE CA C 13 61.635 0.041 . 1 . 1138 . A 150 ILE CA . 25402 1 1920 . 1 1 160 160 ILE CB C 13 38.279 0.054 . 1 . 888 . A 150 ILE CB . 25402 1 1921 . 1 1 160 160 ILE CG1 C 13 27.885 0.035 . 1 . 1140 . A 150 ILE CG1 . 25402 1 1922 . 1 1 160 160 ILE CG2 C 13 16.593 0.039 . 1 . 1088 . A 150 ILE CG2 . 25402 1 1923 . 1 1 160 160 ILE CD1 C 13 14.058 0.036 . 1 . 1086 . A 150 ILE CD1 . 25402 1 1924 . 1 1 160 160 ILE N N 15 124.101 0.051 . 1 . 2408 . A 150 ILE N . 25402 1 1925 . 1 1 161 161 ASP H H 1 7.722 0.01 . 1 . 118 . A 151 ASP H . 25402 1 1926 . 1 1 161 161 ASP HA H 1 4.628 0.008 . 1 . 1083 . A 151 ASP HA . 25402 1 1927 . 1 1 161 161 ASP HB2 H 1 2.495 0.009 . 2 . 1085 . A 151 ASP HB2 . 25402 1 1928 . 1 1 161 161 ASP HB3 H 1 2.834 0.008 . 2 . 1084 . A 151 ASP HB3 . 25402 1 1929 . 1 1 161 161 ASP C C 13 176.023 0.03 . 1 . 1144 . A 151 ASP C . 25402 1 1930 . 1 1 161 161 ASP CA C 13 52.073 0.094 . 1 . 440 . A 151 ASP CA . 25402 1 1931 . 1 1 161 161 ASP CB C 13 40.330 0.062 . 1 . 546 . A 151 ASP CB . 25402 1 1932 . 1 1 161 161 ASP N N 15 128.456 0.063 . 1 . 119 . A 151 ASP N . 25402 1 1933 . 1 1 162 162 LYS H H 1 8.347 0.005 . 1 . 133 . A 152 LYS H . 25402 1 1934 . 1 1 162 162 LYS HA H 1 3.944 0.006 . 1 . 1463 . A 152 LYS HA . 25402 1 1935 . 1 1 162 162 LYS HB2 H 1 1.950 0.01 . 2 . 1471 . A 152 LYS HB2 . 25402 1 1936 . 1 1 162 162 LYS HB3 H 1 1.678 0.006 . 2 . 1472 . A 152 LYS HB3 . 25402 1 1937 . 1 1 162 162 LYS HG2 H 1 0.307 0.019 . 2 . 1469 . A 152 LYS HG2 . 25402 1 1938 . 1 1 162 162 LYS HG3 H 1 1.087 0.008 . 2 . 1470 . A 152 LYS HG3 . 25402 1 1939 . 1 1 162 162 LYS HD2 H 1 1.402 0.008 . 1 . 1474 . A 152 LYS HD2 . 25402 1 1940 . 1 1 162 162 LYS HD3 H 1 1.402 0.008 . 1 . 1473 . A 152 LYS HD3 . 25402 1 1941 . 1 1 162 162 LYS HE2 H 1 2.504 0.003 . 2 . 1467 . A 152 LYS HE2 . 25402 1 1942 . 1 1 162 162 LYS HE3 H 1 2.377 0.007 . 2 . 1468 . A 152 LYS HE3 . 25402 1 1943 . 1 1 162 162 LYS C C 13 177.687 0.036 . 1 . 1475 . A 152 LYS C . 25402 1 1944 . 1 1 162 162 LYS CA C 13 58.179 0.057 . 1 . 420 . A 152 LYS CA . 25402 1 1945 . 1 1 162 162 LYS CB C 13 31.689 0.08 . 1 . 748 . A 152 LYS CB . 25402 1 1946 . 1 1 162 162 LYS CG C 13 26.144 0.03 . 1 . 1465 . A 152 LYS CG . 25402 1 1947 . 1 1 162 162 LYS CD C 13 29.270 0.029 . 1 . 1464 . A 152 LYS CD . 25402 1 1948 . 1 1 162 162 LYS CE C 13 41.924 0.052 . 1 . 1466 . A 152 LYS CE . 25402 1 1949 . 1 1 162 162 LYS N N 15 123.458 0.048 . 1 . 134 . A 152 LYS N . 25402 1 1950 . 1 1 163 163 SER H H 1 8.393 0.004 . 1 . 45 . A 153 SER H . 25402 1 1951 . 1 1 163 163 SER HA H 1 4.644 0.008 . 1 . 749 . A 153 SER HA . 25402 1 1952 . 1 1 163 163 SER HB2 H 1 3.970 0.005 . 1 . 752 . A 153 SER HB2 . 25402 1 1953 . 1 1 163 163 SER HB3 H 1 3.970 0.005 . 1 . 751 . A 153 SER HB3 . 25402 1 1954 . 1 1 163 163 SER C C 13 173.894 0.02 . 1 . 1476 . A 153 SER C . 25402 1 1955 . 1 1 163 163 SER CA C 13 58.364 0.01 . 1 . 478 . A 153 SER CA . 25402 1 1956 . 1 1 163 163 SER CB C 13 63.508 0.009 . 1 . 480 . A 153 SER CB . 25402 1 1957 . 1 1 163 163 SER N N 15 115.533 0.034 . 1 . 46 . A 153 SER N . 25402 1 1958 . 1 1 164 164 TYR H H 1 7.584 0.007 . 1 . 17 . A 154 TYR H . 25402 1 1959 . 1 1 164 164 TYR HA H 1 4.431 0.003 . 1 . 754 . A 154 TYR HA . 25402 1 1960 . 1 1 164 164 TYR HB2 H 1 3.466 0.013 . 2 . 755 . A 154 TYR HB2 . 25402 1 1961 . 1 1 164 164 TYR HB3 H 1 3.082 0.007 . 2 . 756 . A 154 TYR HB3 . 25402 1 1962 . 1 1 164 164 TYR HD1 H 1 7.049 0.017 . 3 . 920 . A 154 TYR HD1 . 25402 1 1963 . 1 1 164 164 TYR HD2 H 1 7.049 0.017 . 3 . 920 . A 154 TYR HD2 . 25402 1 1964 . 1 1 164 164 TYR HE1 H 1 6.790 0.018 . 3 . 922 . A 154 TYR HE1 . 25402 1 1965 . 1 1 164 164 TYR HE2 H 1 6.790 0.018 . 3 . 922 . A 154 TYR HE2 . 25402 1 1966 . 1 1 164 164 TYR C C 13 173.721 0.018 . 1 . 1497 . A 154 TYR C . 25402 1 1967 . 1 1 164 164 TYR CA C 13 57.174 0.048 . 1 . 407 . A 154 TYR CA . 25402 1 1968 . 1 1 164 164 TYR CB C 13 38.289 0.055 . 1 . 753 . A 154 TYR CB . 25402 1 1969 . 1 1 164 164 TYR CD1 C 13 134.025 0.089 . 3 . 921 . A 154 TYR CD1 . 25402 1 1970 . 1 1 164 164 TYR CD2 C 13 134.025 0.089 . 3 . 921 . A 154 TYR CD2 . 25402 1 1971 . 1 1 164 164 TYR CE1 C 13 117.438 0.059 . 3 . 923 . A 154 TYR CE1 . 25402 1 1972 . 1 1 164 164 TYR CE2 C 13 117.438 0.059 . 3 . 923 . A 154 TYR CE2 . 25402 1 1973 . 1 1 164 164 TYR N N 15 122.618 0.035 . 1 . 18 . A 154 TYR N . 25402 1 1974 . 1 1 165 165 THR H H 1 8.124 0.011 . 1 . 31 . A 155 THR H . 25402 1 1975 . 1 1 165 165 THR HA H 1 4.396 0.007 . 1 . 758 . A 155 THR HA . 25402 1 1976 . 1 1 165 165 THR HB H 1 3.920 0.006 . 1 . 759 . A 155 THR HB . 25402 1 1977 . 1 1 165 165 THR HG21 H 1 1.138 0.006 . 1 . 806 . A 155 THR HG21 . 25402 1 1978 . 1 1 165 165 THR HG22 H 1 1.138 0.006 . 1 . 806 . A 155 THR HG22 . 25402 1 1979 . 1 1 165 165 THR HG23 H 1 1.138 0.006 . 1 . 806 . A 155 THR HG23 . 25402 1 1980 . 1 1 165 165 THR C C 13 172.285 . . 1 . 1498 . A 155 THR C . 25402 1 1981 . 1 1 165 165 THR CA C 13 59.121 0.069 . 1 . 377 . A 155 THR CA . 25402 1 1982 . 1 1 165 165 THR CB C 13 70.148 0.056 . 1 . 757 . A 155 THR CB . 25402 1 1983 . 1 1 165 165 THR CG2 C 13 21.069 0.049 . 1 . 844 . A 155 THR CG2 . 25402 1 1984 . 1 1 165 165 THR N N 15 118.980 0.052 . 1 . 32 . A 155 THR N . 25402 1 1985 . 1 1 166 166 PRO HA H 1 4.184 0.008 . 1 . 1843 . A 156 PRO HA . 25402 1 1986 . 1 1 166 166 PRO HB2 H 1 2.204 0.005 . 2 . 1841 . A 156 PRO HB2 . 25402 1 1987 . 1 1 166 166 PRO HB3 H 1 1.829 0.011 . 2 . 1842 . A 156 PRO HB3 . 25402 1 1988 . 1 1 166 166 PRO HG2 H 1 1.730 0.009 . 1 . 1846 . A 156 PRO HG2 . 25402 1 1989 . 1 1 166 166 PRO HG3 H 1 1.729 0.009 . 1 . 1845 . A 156 PRO HG3 . 25402 1 1990 . 1 1 166 166 PRO HD2 H 1 3.520 0.006 . 1 . 865 . A 156 PRO HD2 . 25402 1 1991 . 1 1 166 166 PRO HD3 H 1 3.520 0.006 . 1 . 867 . A 156 PRO HD3 . 25402 1 1992 . 1 1 166 166 PRO C C 13 176.404 . . 1 . 1217 . A 156 PRO C . 25402 1 1993 . 1 1 166 166 PRO CA C 13 63.485 0.053 . 1 . 1218 . A 156 PRO CA . 25402 1 1994 . 1 1 166 166 PRO CB C 13 32.190 0.054 . 1 . 1219 . A 156 PRO CB . 25402 1 1995 . 1 1 166 166 PRO CG C 13 27.334 0.084 . 1 . 1844 . A 156 PRO CG . 25402 1 1996 . 1 1 166 166 PRO CD C 13 51.083 0.038 . 1 . 866 . A 156 PRO CD . 25402 1 1997 . 1 1 167 167 SER H H 1 7.808 0.011 . 1 . 247 . A 157 SER H . 25402 1 1998 . 1 1 167 167 SER HA H 1 4.502 0.007 . 1 . 809 . A 157 SER HA . 25402 1 1999 . 1 1 167 167 SER HB2 H 1 3.843 0.015 . 2 . 1847 . A 157 SER HB2 . 25402 1 2000 . 1 1 167 167 SER HB3 H 1 3.876 0.018 . 2 . 810 . A 157 SER HB3 . 25402 1 2001 . 1 1 167 167 SER C C 13 173.556 0.025 . 1 . 1202 . A 157 SER C . 25402 1 2002 . 1 1 167 167 SER CA C 13 58.092 0.036 . 1 . 338 . A 157 SER CA . 25402 1 2003 . 1 1 167 167 SER CB C 13 64.735 0.068 . 1 . 339 . A 157 SER CB . 25402 1 2004 . 1 1 167 167 SER N N 15 115.198 0.031 . 1 . 248 . A 157 SER N . 25402 1 2005 . 1 1 168 168 LYS H H 1 8.291 0.01 . 1 . 498 . A 158 LYS H . 25402 1 2006 . 1 1 168 168 LYS HA H 1 4.904 0.021 . 1 . 1658 . A 158 LYS HA . 25402 1 2007 . 1 1 168 168 LYS HB2 H 1 1.867 0.012 . 2 . 1657 . A 158 LYS HB2 . 25402 1 2008 . 1 1 168 168 LYS HB3 H 1 1.608 0.008 . 2 . 1659 . A 158 LYS HB3 . 25402 1 2009 . 1 1 168 168 LYS HG2 H 1 1.460 0.009 . 1 . 1663 . A 158 LYS HG2 . 25402 1 2010 . 1 1 168 168 LYS HG3 H 1 1.460 0.009 . 1 . 1662 . A 158 LYS HG3 . 25402 1 2011 . 1 1 168 168 LYS HD2 H 1 1.614 0.015 . 1 . 1665 . A 158 LYS HD2 . 25402 1 2012 . 1 1 168 168 LYS HD3 H 1 1.614 0.015 . 1 . 1666 . A 158 LYS HD3 . 25402 1 2013 . 1 1 168 168 LYS HE2 H 1 2.985 0.008 . 1 . 1660 . A 158 LYS HE2 . 25402 1 2014 . 1 1 168 168 LYS HE3 H 1 2.985 0.008 . 1 . 1668 . A 158 LYS HE3 . 25402 1 2015 . 1 1 168 168 LYS C C 13 177.569 0.004 . 1 . 1208 . A 158 LYS C . 25402 1 2016 . 1 1 168 168 LYS CA C 13 54.758 0.053 . 1 . 1204 . A 158 LYS CA . 25402 1 2017 . 1 1 168 168 LYS CB C 13 33.426 0.026 . 1 . 1205 . A 158 LYS CB . 25402 1 2018 . 1 1 168 168 LYS CG C 13 25.225 0.054 . 1 . 1661 . A 158 LYS CG . 25402 1 2019 . 1 1 168 168 LYS CD C 13 28.620 0.02 . 1 . 1664 . A 158 LYS CD . 25402 1 2020 . 1 1 168 168 LYS CE C 13 42.067 . . 1 . 1667 . A 158 LYS CE . 25402 1 2021 . 1 1 168 168 LYS N N 15 121.084 0.082 . 1 . 499 . A 158 LYS N . 25402 1 2022 . 1 1 169 169 ILE H H 1 8.258 0.01 . 1 . 19 . A 159 ILE H . 25402 1 2023 . 1 1 169 169 ILE HA H 1 3.930 0.009 . 1 . 1111 . A 159 ILE HA . 25402 1 2024 . 1 1 169 169 ILE HB H 1 1.813 0.015 . 1 . 760 . A 159 ILE HB . 25402 1 2025 . 1 1 169 169 ILE HG12 H 1 1.132 0.016 . 2 . 763 . A 159 ILE HG12 . 25402 1 2026 . 1 1 169 169 ILE HG13 H 1 1.001 0.013 . 2 . 762 . A 159 ILE HG13 . 25402 1 2027 . 1 1 169 169 ILE HG21 H 1 0.707 0.012 . 1 . 764 . A 159 ILE HG21 . 25402 1 2028 . 1 1 169 169 ILE HG22 H 1 0.707 0.012 . 1 . 764 . A 159 ILE HG22 . 25402 1 2029 . 1 1 169 169 ILE HG23 H 1 0.707 0.012 . 1 . 764 . A 159 ILE HG23 . 25402 1 2030 . 1 1 169 169 ILE HD11 H 1 0.526 0.015 . 1 . 765 . A 159 ILE HD11 . 25402 1 2031 . 1 1 169 169 ILE HD12 H 1 0.526 0.015 . 1 . 765 . A 159 ILE HD12 . 25402 1 2032 . 1 1 169 169 ILE HD13 H 1 0.526 0.015 . 1 . 765 . A 159 ILE HD13 . 25402 1 2033 . 1 1 169 169 ILE C C 13 176.546 0.03 . 1 . 1364 . A 159 ILE C . 25402 1 2034 . 1 1 169 169 ILE CA C 13 61.401 0.039 . 1 . 1110 . A 159 ILE CA . 25402 1 2035 . 1 1 169 169 ILE CB C 13 37.654 0.04 . 1 . 536 . A 159 ILE CB . 25402 1 2036 . 1 1 169 169 ILE CG1 C 13 27.204 0.051 . 1 . 761 . A 159 ILE CG1 . 25402 1 2037 . 1 1 169 169 ILE CG2 C 13 17.547 0.028 . 1 . 1112 . A 159 ILE CG2 . 25402 1 2038 . 1 1 169 169 ILE CD1 C 13 11.602 0.029 . 1 . 775 . A 159 ILE CD1 . 25402 1 2039 . 1 1 169 169 ILE N N 15 122.102 0.111 . 1 . 20 . A 159 ILE N . 25402 1 2040 . 1 1 170 170 ARG H H 1 8.578 0.005 . 1 . 137 . A 160 ARG H . 25402 1 2041 . 1 1 170 170 ARG HA H 1 4.370 0.014 . 1 . 814 . A 160 ARG HA . 25402 1 2042 . 1 1 170 170 ARG HB2 H 1 1.749 0.007 . 2 . 816 . A 160 ARG HB2 . 25402 1 2043 . 1 1 170 170 ARG HB3 H 1 1.688 0.02 . 2 . 817 . A 160 ARG HB3 . 25402 1 2044 . 1 1 170 170 ARG HG2 H 1 1.518 0.014 . 2 . 1655 . A 160 ARG HG2 . 25402 1 2045 . 1 1 170 170 ARG HG3 H 1 1.550 0.016 . 2 . 819 . A 160 ARG HG3 . 25402 1 2046 . 1 1 170 170 ARG HD2 H 1 3.130 0.007 . 1 . 820 . A 160 ARG HD2 . 25402 1 2047 . 1 1 170 170 ARG HD3 H 1 3.130 0.007 . 1 . 1656 . A 160 ARG HD3 . 25402 1 2048 . 1 1 170 170 ARG C C 13 175.877 0.014 . 1 . 1496 . A 160 ARG C . 25402 1 2049 . 1 1 170 170 ARG CA C 13 55.413 0.056 . 1 . 413 . A 160 ARG CA . 25402 1 2050 . 1 1 170 170 ARG CB C 13 31.405 0.076 . 1 . 535 . A 160 ARG CB . 25402 1 2051 . 1 1 170 170 ARG CG C 13 27.122 0.051 . 1 . 815 . A 160 ARG CG . 25402 1 2052 . 1 1 170 170 ARG CD C 13 43.321 0.034 . 1 . 818 . A 160 ARG CD . 25402 1 2053 . 1 1 170 170 ARG N N 15 123.174 0.061 . 1 . 138 . A 160 ARG N . 25402 1 2054 . 1 1 171 171 HIS H H 1 8.372 0.01 . 1 . 877 . A 161 HIS H . 25402 1 2055 . 1 1 171 171 HIS HA H 1 4.565 0.005 . 1 . 1654 . A 161 HIS HA . 25402 1 2056 . 1 1 171 171 HIS HB2 H 1 3.126 0.006 . 2 . 1940 . A 161 HIS HB2 . 25402 1 2057 . 1 1 171 171 HIS HB3 H 1 3.000 0.007 . 2 . 1941 . A 161 HIS HB3 . 25402 1 2058 . 1 1 171 171 HIS HD2 H 1 6.939 0.006 . 1 . 2415 . A 161 HIS HD2 . 25402 1 2059 . 1 1 171 171 HIS C C 13 173.770 0.01 . 1 . 1365 . A 161 HIS C . 25402 1 2060 . 1 1 171 171 HIS CA C 13 55.872 0.079 . 1 . 1653 . A 161 HIS CA . 25402 1 2061 . 1 1 171 171 HIS CB C 13 30.413 0.162 . 1 . 1652 . A 161 HIS CB . 25402 1 2062 . 1 1 171 171 HIS CD2 C 13 119.916 0.027 . 1 . 2416 . A 161 HIS CD2 . 25402 1 2063 . 1 1 171 171 HIS N N 15 121.500 0.185 . 1 . 876 . A 161 HIS N . 25402 1 2064 . 1 1 172 172 ALA H H 1 8.085 0.027 . 1 . 1 . A 162 ALA H . 25402 1 2065 . 1 1 172 172 ALA HA H 1 4.081 0.015 . 1 . 767 . A 162 ALA HA . 25402 1 2066 . 1 1 172 172 ALA HB1 H 1 1.295 0.012 . 1 . 768 . A 162 ALA HB1 . 25402 1 2067 . 1 1 172 172 ALA HB2 H 1 1.295 0.012 . 1 . 768 . A 162 ALA HB2 . 25402 1 2068 . 1 1 172 172 ALA HB3 H 1 1.295 0.012 . 1 . 768 . A 162 ALA HB3 . 25402 1 2069 . 1 1 172 172 ALA CA C 13 53.815 0.055 . 1 . 415 . A 162 ALA CA . 25402 1 2070 . 1 1 172 172 ALA CB C 13 20.113 0.095 . 1 . 766 . A 162 ALA CB . 25402 1 2071 . 1 1 172 172 ALA N N 15 130.993 0.163 . 1 . 2 . A 162 ALA N . 25402 1 stop_ save_