data_16775 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16775 _Entry.Title ; Mesencephalic astrocyte-derived neurotrophic factor (MANF) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-03-12 _Entry.Accession_date 2010-03-12 _Entry.Last_release_date 2010-03-12 _Entry.Original_release_date 2010-03-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Maarit Hellman N. H. . . 16775 2 Johan Peranen . . . . 16775 3 Mart Saarma . . . . 16775 4 Perttu Permi . . . . 16775 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Biotechnology, University of Helsinki' . 16775 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein protein 16775 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16775 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 568 16775 '15N chemical shifts' 160 16775 '1H chemical shifts' 1119 16775 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2022-02-14 . original BMRB . 16775 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16776 'C-terminal domain of MANF' 16775 PDB 2KVE 'Structure of C-terminal domain of MANF' 16775 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16775 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 21047780 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Mesencephalic astrocyte-derived neurotrophic factor (MANF) has a unique mechanism to rescue apoptotic neurons ; _Citation.Status Published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 286 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1083-351X _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 2675 _Citation.Page_last 2680 _Citation.Year 2011 _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 Maarit Hellman N. H. . . 16775 1 2 Urmas Arumae . . . . 16775 1 3 Li-ying Yu . . . . 16775 1 4 Paivi Lindholm . . . . 16775 1 5 Johan Peranen . . . . 16775 1 6 Mart Saarma . . . . 16775 1 7 Perttu Permi . . . . 16775 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 16775 1 "Parkinson's disease" 16775 1 'Solution structure' 16775 1 anti-apoptotic 16775 1 apoptosis 16775 1 'neurotrophic factor' 16775 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16775 _Assembly.ID 1 _Assembly.Name MANF _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 MANF 1 $MANF A . yes native no no . . . 16775 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MANF _Entity.Sf_category entity _Entity.Sf_framecode MANF _Entity.Entry_ID 16775 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MANF _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 ; GSLRPGDCEVCISYLGRFYQ DLKDRDVTFSPATIENELIK FCREARGKENRLCYYIGATD DAATKIINEVSKPLAHHIPV EKICEKLKKKDSQICELKYD KQIDLSTVDLKKLRVKELKK ILDDWGETCKGCAEKSDYIR KINELMPKYAPKAASARTDL ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'Sequence numbering starts from -1' _Entity.Polymer_author_seq_details 'First two residues are cloning artefacts' _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 160 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18339.395 _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 -1 GLY . 16775 1 2 0 SER . 16775 1 3 1 LEU . 16775 1 4 2 ARG . 16775 1 5 3 PRO . 16775 1 6 4 GLY . 16775 1 7 5 ASP . 16775 1 8 6 CYS . 16775 1 9 7 GLU . 16775 1 10 8 VAL . 16775 1 11 9 CYS . 16775 1 12 10 ILE . 16775 1 13 11 SER . 16775 1 14 12 TYR . 16775 1 15 13 LEU . 16775 1 16 14 GLY . 16775 1 17 15 ARG . 16775 1 18 16 PHE . 16775 1 19 17 TYR . 16775 1 20 18 GLN . 16775 1 21 19 ASP . 16775 1 22 20 LEU . 16775 1 23 21 LYS . 16775 1 24 22 ASP . 16775 1 25 23 ARG . 16775 1 26 24 ASP . 16775 1 27 25 VAL . 16775 1 28 26 THR . 16775 1 29 27 PHE . 16775 1 30 28 SER . 16775 1 31 29 PRO . 16775 1 32 30 ALA . 16775 1 33 31 THR . 16775 1 34 32 ILE . 16775 1 35 33 GLU . 16775 1 36 34 ASN . 16775 1 37 35 GLU . 16775 1 38 36 LEU . 16775 1 39 37 ILE . 16775 1 40 38 LYS . 16775 1 41 39 PHE . 16775 1 42 40 CYS . 16775 1 43 41 ARG . 16775 1 44 42 GLU . 16775 1 45 43 ALA . 16775 1 46 44 ARG . 16775 1 47 45 GLY . 16775 1 48 46 LYS . 16775 1 49 47 GLU . 16775 1 50 48 ASN . 16775 1 51 49 ARG . 16775 1 52 50 LEU . 16775 1 53 51 CYS . 16775 1 54 52 TYR . 16775 1 55 53 TYR . 16775 1 56 54 ILE . 16775 1 57 55 GLY . 16775 1 58 56 ALA . 16775 1 59 57 THR . 16775 1 60 58 ASP . 16775 1 61 59 ASP . 16775 1 62 60 ALA . 16775 1 63 61 ALA . 16775 1 64 62 THR . 16775 1 65 63 LYS . 16775 1 66 64 ILE . 16775 1 67 65 ILE . 16775 1 68 66 ASN . 16775 1 69 67 GLU . 16775 1 70 68 VAL . 16775 1 71 69 SER . 16775 1 72 70 LYS . 16775 1 73 71 PRO . 16775 1 74 72 LEU . 16775 1 75 73 ALA . 16775 1 76 74 HIS . 16775 1 77 75 HIS . 16775 1 78 76 ILE . 16775 1 79 77 PRO . 16775 1 80 78 VAL . 16775 1 81 79 GLU . 16775 1 82 80 LYS . 16775 1 83 81 ILE . 16775 1 84 82 CYS . 16775 1 85 83 GLU . 16775 1 86 84 LYS . 16775 1 87 85 LEU . 16775 1 88 86 LYS . 16775 1 89 87 LYS . 16775 1 90 88 LYS . 16775 1 91 89 ASP . 16775 1 92 90 SER . 16775 1 93 91 GLN . 16775 1 94 92 ILE . 16775 1 95 93 CYS . 16775 1 96 94 GLU . 16775 1 97 95 LEU . 16775 1 98 96 LYS . 16775 1 99 97 TYR . 16775 1 100 98 ASP . 16775 1 101 99 LYS . 16775 1 102 100 GLN . 16775 1 103 101 ILE . 16775 1 104 102 ASP . 16775 1 105 103 LEU . 16775 1 106 104 SER . 16775 1 107 105 THR . 16775 1 108 106 VAL . 16775 1 109 107 ASP . 16775 1 110 108 LEU . 16775 1 111 109 LYS . 16775 1 112 110 LYS . 16775 1 113 111 LEU . 16775 1 114 112 ARG . 16775 1 115 113 VAL . 16775 1 116 114 LYS . 16775 1 117 115 GLU . 16775 1 118 116 LEU . 16775 1 119 117 LYS . 16775 1 120 118 LYS . 16775 1 121 119 ILE . 16775 1 122 120 LEU . 16775 1 123 121 ASP . 16775 1 124 122 ASP . 16775 1 125 123 TRP . 16775 1 126 124 GLY . 16775 1 127 125 GLU . 16775 1 128 126 THR . 16775 1 129 127 CYS . 16775 1 130 128 LYS . 16775 1 131 129 GLY . 16775 1 132 130 CYS . 16775 1 133 131 ALA . 16775 1 134 132 GLU . 16775 1 135 133 LYS . 16775 1 136 134 SER . 16775 1 137 135 ASP . 16775 1 138 136 TYR . 16775 1 139 137 ILE . 16775 1 140 138 ARG . 16775 1 141 139 LYS . 16775 1 142 140 ILE . 16775 1 143 141 ASN . 16775 1 144 142 GLU . 16775 1 145 143 LEU . 16775 1 146 144 MET . 16775 1 147 145 PRO . 16775 1 148 146 LYS . 16775 1 149 147 TYR . 16775 1 150 148 ALA . 16775 1 151 149 PRO . 16775 1 152 150 LYS . 16775 1 153 151 ALA . 16775 1 154 152 ALA . 16775 1 155 153 SER . 16775 1 156 154 ALA . 16775 1 157 155 ARG . 16775 1 158 156 THR . 16775 1 159 157 ASP . 16775 1 160 158 LEU . 16775 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16775 1 . SER 2 2 16775 1 . LEU 3 3 16775 1 . ARG 4 4 16775 1 . PRO 5 5 16775 1 . GLY 6 6 16775 1 . ASP 7 7 16775 1 . CYS 8 8 16775 1 . GLU 9 9 16775 1 . VAL 10 10 16775 1 . CYS 11 11 16775 1 . ILE 12 12 16775 1 . SER 13 13 16775 1 . TYR 14 14 16775 1 . LEU 15 15 16775 1 . GLY 16 16 16775 1 . ARG 17 17 16775 1 . PHE 18 18 16775 1 . TYR 19 19 16775 1 . GLN 20 20 16775 1 . ASP 21 21 16775 1 . LEU 22 22 16775 1 . LYS 23 23 16775 1 . ASP 24 24 16775 1 . ARG 25 25 16775 1 . ASP 26 26 16775 1 . VAL 27 27 16775 1 . THR 28 28 16775 1 . PHE 29 29 16775 1 . SER 30 30 16775 1 . PRO 31 31 16775 1 . ALA 32 32 16775 1 . THR 33 33 16775 1 . ILE 34 34 16775 1 . GLU 35 35 16775 1 . ASN 36 36 16775 1 . GLU 37 37 16775 1 . LEU 38 38 16775 1 . ILE 39 39 16775 1 . LYS 40 40 16775 1 . PHE 41 41 16775 1 . CYS 42 42 16775 1 . ARG 43 43 16775 1 . GLU 44 44 16775 1 . ALA 45 45 16775 1 . ARG 46 46 16775 1 . GLY 47 47 16775 1 . LYS 48 48 16775 1 . GLU 49 49 16775 1 . ASN 50 50 16775 1 . ARG 51 51 16775 1 . LEU 52 52 16775 1 . CYS 53 53 16775 1 . TYR 54 54 16775 1 . TYR 55 55 16775 1 . ILE 56 56 16775 1 . GLY 57 57 16775 1 . ALA 58 58 16775 1 . THR 59 59 16775 1 . ASP 60 60 16775 1 . ASP 61 61 16775 1 . ALA 62 62 16775 1 . ALA 63 63 16775 1 . THR 64 64 16775 1 . LYS 65 65 16775 1 . ILE 66 66 16775 1 . ILE 67 67 16775 1 . ASN 68 68 16775 1 . GLU 69 69 16775 1 . VAL 70 70 16775 1 . SER 71 71 16775 1 . LYS 72 72 16775 1 . PRO 73 73 16775 1 . LEU 74 74 16775 1 . ALA 75 75 16775 1 . HIS 76 76 16775 1 . HIS 77 77 16775 1 . ILE 78 78 16775 1 . PRO 79 79 16775 1 . VAL 80 80 16775 1 . GLU 81 81 16775 1 . LYS 82 82 16775 1 . ILE 83 83 16775 1 . CYS 84 84 16775 1 . GLU 85 85 16775 1 . LYS 86 86 16775 1 . LEU 87 87 16775 1 . LYS 88 88 16775 1 . LYS 89 89 16775 1 . LYS 90 90 16775 1 . ASP 91 91 16775 1 . SER 92 92 16775 1 . GLN 93 93 16775 1 . ILE 94 94 16775 1 . CYS 95 95 16775 1 . GLU 96 96 16775 1 . LEU 97 97 16775 1 . LYS 98 98 16775 1 . TYR 99 99 16775 1 . ASP 100 100 16775 1 . LYS 101 101 16775 1 . GLN 102 102 16775 1 . ILE 103 103 16775 1 . ASP 104 104 16775 1 . LEU 105 105 16775 1 . SER 106 106 16775 1 . THR 107 107 16775 1 . VAL 108 108 16775 1 . ASP 109 109 16775 1 . LEU 110 110 16775 1 . LYS 111 111 16775 1 . LYS 112 112 16775 1 . LEU 113 113 16775 1 . ARG 114 114 16775 1 . VAL 115 115 16775 1 . LYS 116 116 16775 1 . GLU 117 117 16775 1 . LEU 118 118 16775 1 . LYS 119 119 16775 1 . LYS 120 120 16775 1 . ILE 121 121 16775 1 . LEU 122 122 16775 1 . ASP 123 123 16775 1 . ASP 124 124 16775 1 . TRP 125 125 16775 1 . GLY 126 126 16775 1 . GLU 127 127 16775 1 . THR 128 128 16775 1 . CYS 129 129 16775 1 . LYS 130 130 16775 1 . GLY 131 131 16775 1 . CYS 132 132 16775 1 . ALA 133 133 16775 1 . GLU 134 134 16775 1 . LYS 135 135 16775 1 . SER 136 136 16775 1 . ASP 137 137 16775 1 . TYR 138 138 16775 1 . ILE 139 139 16775 1 . ARG 140 140 16775 1 . LYS 141 141 16775 1 . ILE 142 142 16775 1 . ASN 143 143 16775 1 . GLU 144 144 16775 1 . LEU 145 145 16775 1 . MET 146 146 16775 1 . PRO 147 147 16775 1 . LYS 148 148 16775 1 . TYR 149 149 16775 1 . ALA 150 150 16775 1 . PRO 151 151 16775 1 . LYS 152 152 16775 1 . ALA 153 153 16775 1 . ALA 154 154 16775 1 . SER 155 155 16775 1 . ALA 156 156 16775 1 . ARG 157 157 16775 1 . THR 158 158 16775 1 . ASP 159 159 16775 1 . LEU 160 160 16775 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 16775 _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 $MANF . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'mesencephalic astrocyte-derived neurotrophic factor' . 16775 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 16775 _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 $MANF . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'OrigamiB (DE3)' . . . . . pFOLD . . . 16775 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16775 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 MANF '[U-98% 13C; U-98% 15N]' . . 1 $MANF . . 1 . . mM . . . . 16775 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16775 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16775 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16775 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 50 . mM 16775 1 pH 6.8 . pH 16775 1 pressure 1 . atm 16775 1 temperature 308 . K 16775 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16775 _Software.ID 1 _Software.Type . _Software.Name CYANA _Software.Version 2.0.26 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16775 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'automated NOE assignment' . 16775 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16775 _Software.ID 2 _Software.Type . _Software.Name AMBER _Software.Version 8 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16775 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 16775 2 'structure solution' . 16775 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16775 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16775 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model 'Unity Inova' _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 16775 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian 'Unity Inova' . 600 . . . 16775 1 2 spectrometer_2 Varian 'Unity Inova' . 800 . . . 16775 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 16775 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 2 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 5 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 7 '3D HCAN' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 8 '3D HCA(CO)N' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 10 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 11 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 12 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 15 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 1 16 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . . 16775 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 16775 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 16775 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 16775 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 16775 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16775 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HNCACB' . . . 16775 1 4 '3D CBCA(CO)NH' . . . 16775 1 5 '3D HNCA' . . . 16775 1 6 '3D HN(CO)CA' . . . 16775 1 7 '3D HCAN' . . . 16775 1 8 '3D HCA(CO)N' . . . 16775 1 9 '3D HCCH-TOCSY' . . . 16775 1 10 '3D HCCH-COSY' . . . 16775 1 11 '3D H(CCO)NH' . . . 16775 1 12 '3D C(CO)NH' . . . 16775 1 13 '2D 1H-15N HSQC' . . . 16775 1 14 '2D 1H-13C HSQC' . . . 16775 1 15 '2D (HB)CB(CGCD)HD' . . . 16775 1 16 '2D (HB)CB(CGCDCE)HE' . . . 16775 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 2 $AMBER . . 16775 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 2 2 SER HA H 1 4.551 0.003 . 1 . . . . . 0 Ser HA . 16775 1 2 . 1 . 1 2 2 SER HB2 H 1 3.896 0.004 . 2 . . . . . 0 Ser QB . 16775 1 3 . 1 . 1 2 2 SER HB3 H 1 3.896 0.004 . 2 . . . . . 0 Ser QB . 16775 1 4 . 1 . 1 2 2 SER CA C 13 57.242 0.081 . 1 . . . . . 0 Ser CA . 16775 1 5 . 1 . 1 2 2 SER CB C 13 62.878 0.044 . 1 . . . . . 0 Ser CB . 16775 1 6 . 1 . 1 2 2 SER N N 15 115.927 0.059 . 1 . . . . . 0 Ser N . 16775 1 7 . 1 . 1 3 3 LEU H H 1 8.274 0.007 . 1 . . . . . 1 Leu H . 16775 1 8 . 1 . 1 3 3 LEU HA H 1 4.473 0.003 . 1 . . . . . 1 Leu HA . 16775 1 9 . 1 . 1 3 3 LEU HB2 H 1 1.709 0.001 . 2 . . . . . 1 Leu HB2 . 16775 1 10 . 1 . 1 3 3 LEU HB3 H 1 1.581 0.000 . 2 . . . . . 1 Leu HB3 . 16775 1 11 . 1 . 1 3 3 LEU HD11 H 1 0.941 0.003 . 3 . . . . . 1 Leu QD1 . 16775 1 12 . 1 . 1 3 3 LEU HD12 H 1 0.941 0.003 . 3 . . . . . 1 Leu QD1 . 16775 1 13 . 1 . 1 3 3 LEU HD13 H 1 0.941 0.003 . 3 . . . . . 1 Leu QD1 . 16775 1 14 . 1 . 1 3 3 LEU HD21 H 1 0.935 0.003 . 3 . . . . . 1 Leu QD2 . 16775 1 15 . 1 . 1 3 3 LEU HD22 H 1 0.935 0.003 . 3 . . . . . 1 Leu QD2 . 16775 1 16 . 1 . 1 3 3 LEU HD23 H 1 0.935 0.003 . 3 . . . . . 1 Leu QD2 . 16775 1 17 . 1 . 1 3 3 LEU HG H 1 1.718 0.000 . 1 . . . . . 1 Leu HG . 16775 1 18 . 1 . 1 3 3 LEU CA C 13 53.717 0.064 . 1 . . . . . 1 Leu CA . 16775 1 19 . 1 . 1 3 3 LEU CB C 13 41.527 0.071 . 1 . . . . . 1 Leu CB . 16775 1 20 . 1 . 1 3 3 LEU CD1 C 13 24.584 0.073 . 2 . . . . . 1 Leu CD1 . 16775 1 21 . 1 . 1 3 3 LEU CD2 C 13 22.783 0.034 . 2 . . . . . 1 Leu CD2 . 16775 1 22 . 1 . 1 3 3 LEU CG C 13 25.851 0.028 . 1 . . . . . 1 Leu CG . 16775 1 23 . 1 . 1 3 3 LEU N N 15 123.183 0.042 . 1 . . . . . 1 Leu N . 16775 1 24 . 1 . 1 4 4 ARG H H 1 8.854 0.014 . 1 . . . . . 2 Arg H . 16775 1 25 . 1 . 1 4 4 ARG HA H 1 4.617 0.003 . 1 . . . . . 2 Arg HA . 16775 1 26 . 1 . 1 4 4 ARG HG2 H 1 1.292 0.003 . 2 . . . . . 2 Arg QG . 16775 1 27 . 1 . 1 4 4 ARG HG3 H 1 1.292 0.003 . 2 . . . . . 2 Arg QG . 16775 1 28 . 1 . 1 4 4 ARG CA C 13 52.779 0.033 . 1 . . . . . 2 Arg CA . 16775 1 29 . 1 . 1 4 4 ARG CB C 13 28.396 0.033 . 1 . . . . . 2 Arg CB . 16775 1 30 . 1 . 1 4 4 ARG CD C 13 41.919 0.000 . 1 . . . . . 2 Arg CD . 16775 1 31 . 1 . 1 4 4 ARG CG C 13 25.73 0.000 . 1 . . . . . 2 Arg CG . 16775 1 32 . 1 . 1 4 4 ARG N N 15 124.863 0.089 . 1 . . . . . 2 Arg N . 16775 1 33 . 1 . 1 5 5 PRO HA H 1 4.376 0.004 . 1 . . . . . 3 Pro HA . 16775 1 34 . 1 . 1 5 5 PRO HB2 H 1 2.378 0.001 . 2 . . . . . 3 Pro HB2 . 16775 1 35 . 1 . 1 5 5 PRO HB3 H 1 1.971 0.001 . 2 . . . . . 3 Pro HB3 . 16775 1 36 . 1 . 1 5 5 PRO HD2 H 1 3.978 0.001 . 2 . . . . . 3 Pro HD2 . 16775 1 37 . 1 . 1 5 5 PRO HD3 H 1 3.894 0.001 . 2 . . . . . 3 Pro HD3 . 16775 1 38 . 1 . 1 5 5 PRO CA C 13 63.077 0.059 . 1 . . . . . 3 Pro CA . 16775 1 39 . 1 . 1 5 5 PRO CB C 13 30.592 0.000 . 1 . . . . . 3 Pro CB . 16775 1 40 . 1 . 1 5 5 PRO CD C 13 49.39 0.029 . 1 . . . . . 3 Pro CD . 16775 1 41 . 1 . 1 5 5 PRO CG C 13 26.993 0.000 . 1 . . . . . 3 Pro CG . 16775 1 42 . 1 . 1 5 5 PRO N N 15 138.18 0.050 . 1 . . . . . 3 Pro N . 16775 1 43 . 1 . 1 6 6 GLY H H 1 8.685 0.000 . 1 . . . . . 4 Gly H . 16775 1 44 . 1 . 1 6 6 GLY HA2 H 1 4.249 0.004 . 2 . . . . . 4 Gly HA2 . 16775 1 45 . 1 . 1 6 6 GLY HA3 H 1 3.86 0.010 . 2 . . . . . 4 Gly HA3 . 16775 1 46 . 1 . 1 6 6 GLY CA C 13 44.344 0.090 . 1 . . . . . 4 Gly CA . 16775 1 47 . 1 . 1 6 6 GLY N N 15 113.215 0.000 . 1 . . . . . 4 Gly N . 16775 1 48 . 1 . 1 7 7 ASP H H 1 7.993 0.005 . 1 . . . . . 5 Asp H . 16775 1 49 . 1 . 1 7 7 ASP HA H 1 3.938 0.004 . 1 . . . . . 5 Asp HA . 16775 1 50 . 1 . 1 7 7 ASP HB2 H 1 2.842 0.002 . 2 . . . . . 5 Asp HB2 . 16775 1 51 . 1 . 1 7 7 ASP HB3 H 1 2.708 0.008 . 2 . . . . . 5 Asp HB3 . 16775 1 52 . 1 . 1 7 7 ASP CA C 13 53.696 0.251 . 1 . . . . . 5 Asp CA . 16775 1 53 . 1 . 1 7 7 ASP CB C 13 38.136 0.042 . 1 . . . . . 5 Asp CB . 16775 1 54 . 1 . 1 7 7 ASP N N 15 119.938 0.036 . 1 . . . . . 5 Asp N . 16775 1 55 . 1 . 1 8 8 CYS HB2 H 1 2.835 0.000 . 2 . . . . . 6 Cys HB2 . 16775 1 56 . 1 . 1 8 8 CYS HB3 H 1 2.718 0.000 . 2 . . . . . 6 Cys HB3 . 16775 1 57 . 1 . 1 8 8 CYS CB C 13 38.788 0.000 . 1 . . . . . 6 Cys CB . 16775 1 58 . 1 . 1 10 10 VAL HA H 1 3.749 0.003 . 1 . . . . . 8 Val HA . 16775 1 59 . 1 . 1 10 10 VAL HG11 H 1 -0.155 0.004 . 3 . . . . . 8 Val QG1 . 16775 1 60 . 1 . 1 10 10 VAL HG12 H 1 -0.155 0.004 . 3 . . . . . 8 Val QG1 . 16775 1 61 . 1 . 1 10 10 VAL HG13 H 1 -0.155 0.004 . 3 . . . . . 8 Val QG1 . 16775 1 62 . 1 . 1 10 10 VAL HG21 H 1 0.709 0.003 . 3 . . . . . 8 Val QG2 . 16775 1 63 . 1 . 1 10 10 VAL HG22 H 1 0.709 0.003 . 3 . . . . . 8 Val QG2 . 16775 1 64 . 1 . 1 10 10 VAL HG23 H 1 0.709 0.003 . 3 . . . . . 8 Val QG2 . 16775 1 65 . 1 . 1 10 10 VAL CA C 13 64.141 0.058 . 1 . . . . . 8 Val CA . 16775 1 66 . 1 . 1 10 10 VAL CB C 13 30.036 0.035 . 1 . . . . . 8 Val CB . 16775 1 67 . 1 . 1 10 10 VAL CG1 C 13 19.787 0.056 . 2 . . . . . 8 Val CG1 . 16775 1 68 . 1 . 1 10 10 VAL CG2 C 13 19.608 0.058 . 2 . . . . . 8 Val CG2 . 16775 1 69 . 1 . 1 11 11 CYS HA H 1 4.715 0.000 . 1 . . . . . 9 Cys HA . 16775 1 70 . 1 . 1 11 11 CYS HB2 H 1 2.835 0.000 . 2 . . . . . 9 Cys HB2 . 16775 1 71 . 1 . 1 11 11 CYS HB3 H 1 2.718 0.000 . 2 . . . . . 9 Cys HB3 . 16775 1 72 . 1 . 1 11 11 CYS CA C 13 52.941 0.061 . 1 . . . . . 9 Cys CA . 16775 1 73 . 1 . 1 11 11 CYS CB C 13 40.745 0.000 . 1 . . . . . 9 Cys CB . 16775 1 74 . 1 . 1 11 11 CYS N N 15 115.173 0.000 . 1 . . . . . 9 Cys N . 16775 1 75 . 1 . 1 12 12 ILE HA H 1 3.618 0.005 . 1 . . . . . 10 Ile HA . 16775 1 76 . 1 . 1 12 12 ILE HB H 1 1.869 0.002 . 1 . . . . . 10 Ile HB . 16775 1 77 . 1 . 1 12 12 ILE HD11 H 1 1.014 0.007 . 3 . . . . . 10 Ile QD1 . 16775 1 78 . 1 . 1 12 12 ILE HD12 H 1 1.014 0.007 . 3 . . . . . 10 Ile QD1 . 16775 1 79 . 1 . 1 12 12 ILE HD13 H 1 1.014 0.007 . 3 . . . . . 10 Ile QD1 . 16775 1 80 . 1 . 1 12 12 ILE HG21 H 1 0.975 0.042 . 3 . . . . . 10 Ile QG2 . 16775 1 81 . 1 . 1 12 12 ILE HG22 H 1 0.975 0.042 . 3 . . . . . 10 Ile QG2 . 16775 1 82 . 1 . 1 12 12 ILE HG23 H 1 0.975 0.042 . 3 . . . . . 10 Ile QG2 . 16775 1 83 . 1 . 1 12 12 ILE CA C 13 63.624 0.036 . 1 . . . . . 10 Ile CA . 16775 1 84 . 1 . 1 12 12 ILE CB C 13 37.646 0.087 . 1 . . . . . 10 Ile CB . 16775 1 85 . 1 . 1 12 12 ILE CD1 C 13 12.918 0.092 . 1 . . . . . 10 Ile CD1 . 16775 1 86 . 1 . 1 12 12 ILE CG1 C 13 30.151 0.028 . 1 . . . . . 10 Ile CG1 . 16775 1 87 . 1 . 1 12 12 ILE CG2 C 13 16.26 0.070 . 1 . . . . . 10 Ile CG2 . 16775 1 88 . 1 . 1 12 12 ILE N N 15 118.238 0.000 . 1 . . . . . 10 Ile N . 16775 1 89 . 1 . 1 13 13 SER HA H 1 4.384 0.010 . 1 . . . . . 11 Ser HA . 16775 1 90 . 1 . 1 13 13 SER HB2 H 1 4.058 0.000 . 2 . . . . . 11 Ser QB . 16775 1 91 . 1 . 1 13 13 SER HB3 H 1 4.058 0.000 . 2 . . . . . 11 Ser QB . 16775 1 92 . 1 . 1 13 13 SER CA C 13 59.914 0.077 . 1 . . . . . 11 Ser CA . 16775 1 93 . 1 . 1 13 13 SER CB C 13 62.164 0.000 . 1 . . . . . 11 Ser CB . 16775 1 94 . 1 . 1 13 13 SER N N 15 113.642 0.000 . 1 . . . . . 11 Ser N . 16775 1 95 . 1 . 1 14 14 TYR H H 1 7.68 0.003 . 1 . . . . . 12 Tyr H . 16775 1 96 . 1 . 1 14 14 TYR HA H 1 4.414 0.003 . 1 . . . . . 12 Tyr HA . 16775 1 97 . 1 . 1 14 14 TYR HB2 H 1 3.26 0.000 . 2 . . . . . 12 Tyr HB2 . 16775 1 98 . 1 . 1 14 14 TYR HB3 H 1 2.94 0.000 . 2 . . . . . 12 Tyr HB3 . 16775 1 99 . 1 . 1 14 14 TYR HD1 H 1 6.946 0.004 . 3 . . . . . 12 Tyr QD . 16775 1 100 . 1 . 1 14 14 TYR HD2 H 1 6.946 0.004 . 3 . . . . . 12 Tyr QD . 16775 1 101 . 1 . 1 14 14 TYR HE1 H 1 6.606 0.004 . 3 . . . . . 12 Tyr QE . 16775 1 102 . 1 . 1 14 14 TYR HE2 H 1 6.606 0.004 . 3 . . . . . 12 Tyr QE . 16775 1 103 . 1 . 1 14 14 TYR CA C 13 61.908 0.043 . 1 . . . . . 12 Tyr CA . 16775 1 104 . 1 . 1 14 14 TYR CB C 13 38.879 0.027 . 1 . . . . . 12 Tyr CB . 16775 1 105 . 1 . 1 14 14 TYR CD1 C 13 130.945 0.000 . 3 . . . . . 12 Tyr CD1 . 16775 1 106 . 1 . 1 14 14 TYR CD2 C 13 130.945 0.000 . 3 . . . . . 12 Tyr CD2 . 16775 1 107 . 1 . 1 14 14 TYR CE1 C 13 117.539 0.148 . 3 . . . . . 12 Tyr CE1 . 16775 1 108 . 1 . 1 14 14 TYR CE2 C 13 117.539 0.148 . 3 . . . . . 12 Tyr CE2 . 16775 1 109 . 1 . 1 14 14 TYR N N 15 110.37 0.034 . 1 . . . . . 12 Tyr N . 16775 1 110 . 1 . 1 15 15 LEU H H 1 8.383 0.006 . 1 . . . . . 13 Leu H . 16775 1 111 . 1 . 1 15 15 LEU HA H 1 4.322 0.008 . 1 . . . . . 13 Leu HA . 16775 1 112 . 1 . 1 15 15 LEU HB2 H 1 2.344 0.005 . 2 . . . . . 13 Leu HB2 . 16775 1 113 . 1 . 1 15 15 LEU HB3 H 1 1.342 0.006 . 2 . . . . . 13 Leu HB3 . 16775 1 114 . 1 . 1 15 15 LEU HD11 H 1 0.994 0.044 . 3 . . . . . 13 Leu QD1 . 16775 1 115 . 1 . 1 15 15 LEU HD12 H 1 0.994 0.044 . 3 . . . . . 13 Leu QD1 . 16775 1 116 . 1 . 1 15 15 LEU HD13 H 1 0.994 0.044 . 3 . . . . . 13 Leu QD1 . 16775 1 117 . 1 . 1 15 15 LEU HD21 H 1 0.859 0.002 . 3 . . . . . 13 Leu QD2 . 16775 1 118 . 1 . 1 15 15 LEU HD22 H 1 0.859 0.002 . 3 . . . . . 13 Leu QD2 . 16775 1 119 . 1 . 1 15 15 LEU HD23 H 1 0.859 0.002 . 3 . . . . . 13 Leu QD2 . 16775 1 120 . 1 . 1 15 15 LEU HG H 1 2.209 0.000 . 1 . . . . . 13 Leu HG . 16775 1 121 . 1 . 1 15 15 LEU CA C 13 56.565 0.063 . 1 . . . . . 13 Leu CA . 16775 1 122 . 1 . 1 15 15 LEU CB C 13 39.54 0.055 . 1 . . . . . 13 Leu CB . 16775 1 123 . 1 . 1 15 15 LEU CD1 C 13 25.171 0.101 . 2 . . . . . 13 Leu CD1 . 16775 1 124 . 1 . 1 15 15 LEU CD2 C 13 20.89 0.076 . 2 . . . . . 13 Leu CD2 . 16775 1 125 . 1 . 1 15 15 LEU CG C 13 26.349 0.019 . 1 . . . . . 13 Leu CG . 16775 1 126 . 1 . 1 15 15 LEU N N 15 114.37 0.169 . 1 . . . . . 13 Leu N . 16775 1 127 . 1 . 1 16 16 GLY H H 1 8.185 0.006 . 1 . . . . . 14 Gly H . 16775 1 128 . 1 . 1 16 16 GLY HA2 H 1 4.286 0.001 . 2 . . . . . 14 Gly HA2 . 16775 1 129 . 1 . 1 16 16 GLY HA3 H 1 4.064 0.004 . 2 . . . . . 14 Gly HA3 . 16775 1 130 . 1 . 1 16 16 GLY CA C 13 46.462 0.062 . 1 . . . . . 14 Gly CA . 16775 1 131 . 1 . 1 16 16 GLY N N 15 107.414 0.173 . 1 . . . . . 14 Gly N . 16775 1 132 . 1 . 1 17 17 ARG H H 1 8.065 0.006 . 1 . . . . . 15 Arg H . 16775 1 133 . 1 . 1 17 17 ARG HA H 1 4.232 0.002 . 1 . . . . . 15 Arg HA . 16775 1 134 . 1 . 1 17 17 ARG HB2 H 1 2.194 0.005 . 2 . . . . . 15 Arg HB2 . 16775 1 135 . 1 . 1 17 17 ARG HB3 H 1 2.099 0.006 . 2 . . . . . 15 Arg HB3 . 16775 1 136 . 1 . 1 17 17 ARG HD2 H 1 3.464 0.001 . 2 . . . . . 15 Arg HD2 . 16775 1 137 . 1 . 1 17 17 ARG HD3 H 1 3.409 0.001 . 2 . . . . . 15 Arg HD3 . 16775 1 138 . 1 . 1 17 17 ARG HE H 1 7.185 0.000 . 1 . . . . . 15 Arg HE . 16775 1 139 . 1 . 1 17 17 ARG HG2 H 1 2.025 0.009 . 2 . . . . . 15 Arg HG2 . 16775 1 140 . 1 . 1 17 17 ARG HG3 H 1 1.851 0.004 . 2 . . . . . 15 Arg HG3 . 16775 1 141 . 1 . 1 17 17 ARG CA C 13 58.718 0.048 . 1 . . . . . 15 Arg CA . 16775 1 142 . 1 . 1 17 17 ARG CB C 13 29.049 0.061 . 1 . . . . . 15 Arg CB . 16775 1 143 . 1 . 1 17 17 ARG CD C 13 42.8 0.055 . 1 . . . . . 15 Arg CD . 16775 1 144 . 1 . 1 17 17 ARG CG C 13 27.504 0.047 . 1 . . . . . 15 Arg CG . 16775 1 145 . 1 . 1 17 17 ARG N N 15 124.649 0.042 . 1 . . . . . 15 Arg N . 16775 1 146 . 1 . 1 17 17 ARG NE N 15 83.927 0.021 . 1 . . . . . 15 Arg NE . 16775 1 147 . 1 . 1 18 18 PHE H H 1 8.164 0.009 . 1 . . . . . 16 Phe H . 16775 1 148 . 1 . 1 18 18 PHE HA H 1 3.408 0.004 . 1 . . . . . 16 Phe HA . 16775 1 149 . 1 . 1 18 18 PHE HB2 H 1 2.906 0.000 . 2 . . . . . 16 Phe HB2 . 16775 1 150 . 1 . 1 18 18 PHE HB3 H 1 2.598 0.000 . 2 . . . . . 16 Phe HB3 . 16775 1 151 . 1 . 1 18 18 PHE HD1 H 1 7.314 0.007 . 3 . . . . . 16 Phe QD . 16775 1 152 . 1 . 1 18 18 PHE HD2 H 1 7.314 0.007 . 3 . . . . . 16 Phe QD . 16775 1 153 . 1 . 1 18 18 PHE HE1 H 1 6.318 0.002 . 3 . . . . . 16 Phe QE . 16775 1 154 . 1 . 1 18 18 PHE HE2 H 1 6.318 0.002 . 3 . . . . . 16 Phe QE . 16775 1 155 . 1 . 1 18 18 PHE HZ H 1 6.848 0.005 . 1 . . . . . 16 Phe HZ . 16775 1 156 . 1 . 1 18 18 PHE CA C 13 58.574 0.084 . 1 . . . . . 16 Phe CA . 16775 1 157 . 1 . 1 18 18 PHE CB C 13 37.266 0.195 . 1 . . . . . 16 Phe CB . 16775 1 158 . 1 . 1 18 18 PHE CD1 C 13 132.11 0.000 . 3 . . . . . 16 Phe CD1 . 16775 1 159 . 1 . 1 18 18 PHE CD2 C 13 132.11 0.000 . 3 . . . . . 16 Phe CD2 . 16775 1 160 . 1 . 1 18 18 PHE CE1 C 13 130.253 0.029 . 3 . . . . . 16 Phe CE1 . 16775 1 161 . 1 . 1 18 18 PHE CE2 C 13 130.253 0.029 . 3 . . . . . 16 Phe CE2 . 16775 1 162 . 1 . 1 18 18 PHE CZ C 13 129.38 0.050 . 1 . . . . . 16 Phe CZ . 16775 1 163 . 1 . 1 18 18 PHE N N 15 121.525 0.041 . 1 . . . . . 16 Phe N . 16775 1 164 . 1 . 1 19 19 TYR H H 1 8.588 0.009 . 1 . . . . . 17 Tyr H . 16775 1 165 . 1 . 1 19 19 TYR HA H 1 3.8 0.007 . 1 . . . . . 17 Tyr HA . 16775 1 166 . 1 . 1 19 19 TYR HB2 H 1 3.154 0.000 . 2 . . . . . 17 Tyr QB . 16775 1 167 . 1 . 1 19 19 TYR HB3 H 1 3.154 0.000 . 2 . . . . . 17 Tyr QB . 16775 1 168 . 1 . 1 19 19 TYR HD1 H 1 7.156 0.003 . 3 . . . . . 17 Tyr QD . 16775 1 169 . 1 . 1 19 19 TYR HD2 H 1 7.156 0.003 . 3 . . . . . 17 Tyr QD . 16775 1 170 . 1 . 1 19 19 TYR HE1 H 1 6.944 0.001 . 3 . . . . . 17 Tyr QE . 16775 1 171 . 1 . 1 19 19 TYR HE2 H 1 6.944 0.001 . 3 . . . . . 17 Tyr QE . 16775 1 172 . 1 . 1 19 19 TYR CA C 13 59.691 0.106 . 1 . . . . . 17 Tyr CA . 16775 1 173 . 1 . 1 19 19 TYR CB C 13 37.335 0.073 . 1 . . . . . 17 Tyr CB . 16775 1 174 . 1 . 1 19 19 TYR CD1 C 13 131.587 0.032 . 3 . . . . . 17 Tyr CD1 . 16775 1 175 . 1 . 1 19 19 TYR CD2 C 13 131.587 0.032 . 3 . . . . . 17 Tyr CD2 . 16775 1 176 . 1 . 1 19 19 TYR CE1 C 13 117.088 0.001 . 3 . . . . . 17 Tyr CE1 . 16775 1 177 . 1 . 1 19 19 TYR CE2 C 13 117.088 0.001 . 3 . . . . . 17 Tyr CE2 . 16775 1 178 . 1 . 1 19 19 TYR N N 15 118.86 0.078 . 1 . . . . . 17 Tyr N . 16775 1 179 . 1 . 1 20 20 GLN H H 1 7.857 0.006 . 1 . . . . . 18 Gln H . 16775 1 180 . 1 . 1 20 20 GLN HA H 1 3.643 0.003 . 1 . . . . . 18 Gln HA . 16775 1 181 . 1 . 1 20 20 GLN HB2 H 1 2.265 0.003 . 2 . . . . . 18 Gln HB2 . 16775 1 182 . 1 . 1 20 20 GLN HB3 H 1 2.181 0.002 . 2 . . . . . 18 Gln HB3 . 16775 1 183 . 1 . 1 20 20 GLN HE21 H 1 7.946 0.000 . 2 . . . . . 18 Gln HE21 . 16775 1 184 . 1 . 1 20 20 GLN HE22 H 1 6.858 0.000 . 2 . . . . . 18 Gln HE22 . 16775 1 185 . 1 . 1 20 20 GLN HG2 H 1 2.516 0.004 . 2 . . . . . 18 Gln QG . 16775 1 186 . 1 . 1 20 20 GLN HG3 H 1 2.516 0.004 . 2 . . . . . 18 Gln QG . 16775 1 187 . 1 . 1 20 20 GLN CA C 13 56.995 0.032 . 1 . . . . . 18 Gln CA . 16775 1 188 . 1 . 1 20 20 GLN CB C 13 27.22 0.028 . 1 . . . . . 18 Gln CB . 16775 1 189 . 1 . 1 20 20 GLN CG C 13 32.292 0.013 . 1 . . . . . 18 Gln CG . 16775 1 190 . 1 . 1 20 20 GLN N N 15 115.91 0.062 . 1 . . . . . 18 Gln N . 16775 1 191 . 1 . 1 20 20 GLN NE2 N 15 115.733 0.001 . 1 . . . . . 18 Gln NE2 . 16775 1 192 . 1 . 1 21 21 ASP H H 1 7.794 0.006 . 1 . . . . . 19 Asp H . 16775 1 193 . 1 . 1 21 21 ASP HA H 1 4.36 0.008 . 1 . . . . . 19 Asp HA . 16775 1 194 . 1 . 1 21 21 ASP HB2 H 1 2.687 0.005 . 2 . . . . . 19 Asp HB2 . 16775 1 195 . 1 . 1 21 21 ASP HB3 H 1 2.634 0.005 . 2 . . . . . 19 Asp HB3 . 16775 1 196 . 1 . 1 21 21 ASP CA C 13 56.958 0.039 . 1 . . . . . 19 Asp CA . 16775 1 197 . 1 . 1 21 21 ASP CB C 13 41.329 0.049 . 1 . . . . . 19 Asp CB . 16775 1 198 . 1 . 1 21 21 ASP N N 15 120.34 0.044 . 1 . . . . . 19 Asp N . 16775 1 199 . 1 . 1 22 22 LEU H H 1 7.632 0.009 . 1 . . . . . 20 Leu H . 16775 1 200 . 1 . 1 22 22 LEU HA H 1 3.548 0.005 . 1 . . . . . 20 Leu HA . 16775 1 201 . 1 . 1 22 22 LEU HB2 H 1 1.81 0.009 . 2 . . . . . 20 Leu HB2 . 16775 1 202 . 1 . 1 22 22 LEU HB3 H 1 0.809 0.009 . 2 . . . . . 20 Leu HB3 . 16775 1 203 . 1 . 1 22 22 LEU HD11 H 1 0.053 0.006 . 3 . . . . . 20 Leu QD1 . 16775 1 204 . 1 . 1 22 22 LEU HD12 H 1 0.053 0.006 . 3 . . . . . 20 Leu QD1 . 16775 1 205 . 1 . 1 22 22 LEU HD13 H 1 0.053 0.006 . 3 . . . . . 20 Leu QD1 . 16775 1 206 . 1 . 1 22 22 LEU HD21 H 1 0.262 0.002 . 3 . . . . . 20 Leu QD2 . 16775 1 207 . 1 . 1 22 22 LEU HD22 H 1 0.262 0.002 . 3 . . . . . 20 Leu QD2 . 16775 1 208 . 1 . 1 22 22 LEU HD23 H 1 0.262 0.002 . 3 . . . . . 20 Leu QD2 . 16775 1 209 . 1 . 1 22 22 LEU CA C 13 56.376 0.044 . 1 . . . . . 20 Leu CA . 16775 1 210 . 1 . 1 22 22 LEU CB C 13 40.881 0.049 . 1 . . . . . 20 Leu CB . 16775 1 211 . 1 . 1 22 22 LEU CD1 C 13 25.064 0.101 . 2 . . . . . 20 Leu CD1 . 16775 1 212 . 1 . 1 22 22 LEU CD2 C 13 21.07 0.088 . 2 . . . . . 20 Leu CD2 . 16775 1 213 . 1 . 1 22 22 LEU N N 15 116.569 0.059 . 1 . . . . . 20 Leu N . 16775 1 214 . 1 . 1 23 23 LYS H H 1 7.567 0.002 . 1 . . . . . 21 Lys H . 16775 1 215 . 1 . 1 23 23 LYS HA H 1 4.118 0.003 . 1 . . . . . 21 Lys HA . 16775 1 216 . 1 . 1 23 23 LYS HB2 H 1 1.774 0.000 . 2 . . . . . 21 Lys QB . 16775 1 217 . 1 . 1 23 23 LYS HB3 H 1 1.774 0.000 . 2 . . . . . 21 Lys QB . 16775 1 218 . 1 . 1 23 23 LYS HD2 H 1 1.472 0.000 . 2 . . . . . 21 Lys QD . 16775 1 219 . 1 . 1 23 23 LYS HD3 H 1 1.472 0.000 . 2 . . . . . 21 Lys QD . 16775 1 220 . 1 . 1 23 23 LYS HE2 H 1 2.762 0.001 . 2 . . . . . 21 Lys HE2 . 16775 1 221 . 1 . 1 23 23 LYS HE3 H 1 2.605 0.004 . 2 . . . . . 21 Lys HE3 . 16775 1 222 . 1 . 1 23 23 LYS HG2 H 1 1.357 0.002 . 2 . . . . . 21 Lys HG2 . 16775 1 223 . 1 . 1 23 23 LYS HG3 H 1 1.289 0.005 . 2 . . . . . 21 Lys HG3 . 16775 1 224 . 1 . 1 23 23 LYS CA C 13 57.997 0.063 . 1 . . . . . 21 Lys CA . 16775 1 225 . 1 . 1 23 23 LYS CB C 13 30.425 0.079 . 1 . . . . . 21 Lys CB . 16775 1 226 . 1 . 1 23 23 LYS CD C 13 27.708 0.015 . 1 . . . . . 21 Lys CD . 16775 1 227 . 1 . 1 23 23 LYS CE C 13 40.159 0.068 . 1 . . . . . 21 Lys CE . 16775 1 228 . 1 . 1 23 23 LYS CG C 13 23.519 0.044 . 1 . . . . . 21 Lys CG . 16775 1 229 . 1 . 1 23 23 LYS N N 15 117.123 0.028 . 1 . . . . . 21 Lys N . 16775 1 230 . 1 . 1 24 24 ASP H H 1 8.822 0.009 . 1 . . . . . 22 Asp H . 16775 1 231 . 1 . 1 24 24 ASP HA H 1 4.377 0.004 . 1 . . . . . 22 Asp HA . 16775 1 232 . 1 . 1 24 24 ASP HB2 H 1 2.901 0.007 . 2 . . . . . 22 Asp HB2 . 16775 1 233 . 1 . 1 24 24 ASP HB3 H 1 2.701 0.005 . 2 . . . . . 22 Asp HB3 . 16775 1 234 . 1 . 1 24 24 ASP CA C 13 56.05 0.070 . 1 . . . . . 22 Asp CA . 16775 1 235 . 1 . 1 24 24 ASP CB C 13 39.268 0.045 . 1 . . . . . 22 Asp CB . 16775 1 236 . 1 . 1 24 24 ASP N N 15 121.88 0.065 . 1 . . . . . 22 Asp N . 16775 1 237 . 1 . 1 25 25 ARG H H 1 7.62 0.007 . 1 . . . . . 23 Arg H . 16775 1 238 . 1 . 1 25 25 ARG HA H 1 4.297 0.004 . 1 . . . . . 23 Arg HA . 16775 1 239 . 1 . 1 25 25 ARG HB2 H 1 1.642 0.000 . 2 . . . . . 23 Arg QB . 16775 1 240 . 1 . 1 25 25 ARG HB3 H 1 1.642 0.000 . 2 . . . . . 23 Arg QB . 16775 1 241 . 1 . 1 25 25 ARG HD2 H 1 3.27 0.000 . 2 . . . . . 23 Arg QD . 16775 1 242 . 1 . 1 25 25 ARG HD3 H 1 3.27 0.000 . 2 . . . . . 23 Arg QD . 16775 1 243 . 1 . 1 25 25 ARG HE H 1 7.104 0.000 . 1 . . . . . 23 Arg HE . 16775 1 244 . 1 . 1 25 25 ARG CA C 13 55.414 0.036 . 1 . . . . . 23 Arg CA . 16775 1 245 . 1 . 1 25 25 ARG CB C 13 30.01 0.070 . 1 . . . . . 23 Arg CB . 16775 1 246 . 1 . 1 25 25 ARG CD C 13 42.572 0.090 . 1 . . . . . 23 Arg CD . 16775 1 247 . 1 . 1 25 25 ARG CG C 13 28.181 0.047 . 1 . . . . . 23 Arg CG . 16775 1 248 . 1 . 1 25 25 ARG N N 15 116.617 0.033 . 1 . . . . . 23 Arg N . 16775 1 249 . 1 . 1 25 25 ARG NE N 15 86.238 0.000 . 1 . . . . . 23 Arg NE . 16775 1 250 . 1 . 1 26 26 ASP H H 1 7.995 0.006 . 1 . . . . . 24 Asp H . 16775 1 251 . 1 . 1 26 26 ASP HA H 1 4.438 0.004 . 1 . . . . . 24 Asp HA . 16775 1 252 . 1 . 1 26 26 ASP HB2 H 1 3.13 0.001 . 2 . . . . . 24 Asp HB2 . 16775 1 253 . 1 . 1 26 26 ASP HB3 H 1 2.422 0.002 . 2 . . . . . 24 Asp HB3 . 16775 1 254 . 1 . 1 26 26 ASP CA C 13 53.726 0.074 . 1 . . . . . 24 Asp CA . 16775 1 255 . 1 . 1 26 26 ASP CB C 13 38.42 0.056 . 1 . . . . . 24 Asp CB . 16775 1 256 . 1 . 1 26 26 ASP N N 15 120.034 0.087 . 1 . . . . . 24 Asp N . 16775 1 257 . 1 . 1 27 27 VAL H H 1 7.634 0.010 . 1 . . . . . 25 Val H . 16775 1 258 . 1 . 1 27 27 VAL HA H 1 3.801 0.005 . 1 . . . . . 25 Val HA . 16775 1 259 . 1 . 1 27 27 VAL HB H 1 1.617 0.007 . 1 . . . . . 25 Val HB . 16775 1 260 . 1 . 1 27 27 VAL HG11 H 1 0.724 0.004 . 3 . . . . . 25 Val QG1 . 16775 1 261 . 1 . 1 27 27 VAL HG12 H 1 0.724 0.004 . 3 . . . . . 25 Val QG1 . 16775 1 262 . 1 . 1 27 27 VAL HG13 H 1 0.724 0.004 . 3 . . . . . 25 Val QG1 . 16775 1 263 . 1 . 1 27 27 VAL HG21 H 1 0.764 0.016 . 3 . . . . . 25 Val QG2 . 16775 1 264 . 1 . 1 27 27 VAL HG22 H 1 0.764 0.016 . 3 . . . . . 25 Val QG2 . 16775 1 265 . 1 . 1 27 27 VAL HG23 H 1 0.764 0.016 . 3 . . . . . 25 Val QG2 . 16775 1 266 . 1 . 1 27 27 VAL CA C 13 61.331 0.068 . 1 . . . . . 25 Val CA . 16775 1 267 . 1 . 1 27 27 VAL CB C 13 31.304 0.030 . 1 . . . . . 25 Val CB . 16775 1 268 . 1 . 1 27 27 VAL CG1 C 13 21.172 0.083 . 2 . . . . . 25 Val CG1 . 16775 1 269 . 1 . 1 27 27 VAL CG2 C 13 20.361 0.068 . 2 . . . . . 25 Val CG2 . 16775 1 270 . 1 . 1 27 27 VAL N N 15 117.877 0.071 . 1 . . . . . 25 Val N . 16775 1 271 . 1 . 1 28 28 THR H H 1 8.265 0.012 . 1 . . . . . 26 Thr H . 16775 1 272 . 1 . 1 28 28 THR HA H 1 4.212 0.004 . 1 . . . . . 26 Thr HA . 16775 1 273 . 1 . 1 28 28 THR HB H 1 4.12 0.002 . 1 . . . . . 26 Thr HB . 16775 1 274 . 1 . 1 28 28 THR HG21 H 1 1.281 0.002 . 3 . . . . . 26 Thr QG2 . 16775 1 275 . 1 . 1 28 28 THR HG22 H 1 1.281 0.002 . 3 . . . . . 26 Thr QG2 . 16775 1 276 . 1 . 1 28 28 THR HG23 H 1 1.281 0.002 . 3 . . . . . 26 Thr QG2 . 16775 1 277 . 1 . 1 28 28 THR CA C 13 62.361 0.086 . 1 . . . . . 26 Thr CA . 16775 1 278 . 1 . 1 28 28 THR CB C 13 68.106 0.062 . 1 . . . . . 26 Thr CB . 16775 1 279 . 1 . 1 28 28 THR CG2 C 13 20.611 0.026 . 1 . . . . . 26 Thr CG2 . 16775 1 280 . 1 . 1 28 28 THR N N 15 121.462 0.050 . 1 . . . . . 26 Thr N . 16775 1 281 . 1 . 1 29 29 PHE H H 1 9.048 0.009 . 1 . . . . . 27 Phe H . 16775 1 282 . 1 . 1 29 29 PHE HA H 1 4.077 0.007 . 1 . . . . . 27 Phe HA . 16775 1 283 . 1 . 1 29 29 PHE HB2 H 1 3.227 0.000 . 2 . . . . . 27 Phe HB2 . 16775 1 284 . 1 . 1 29 29 PHE HB3 H 1 3.171 0.000 . 2 . . . . . 27 Phe HB3 . 16775 1 285 . 1 . 1 29 29 PHE HD1 H 1 7.336 0.002 . 3 . . . . . 27 Phe QD . 16775 1 286 . 1 . 1 29 29 PHE HD2 H 1 7.336 0.002 . 3 . . . . . 27 Phe QD . 16775 1 287 . 1 . 1 29 29 PHE HE1 H 1 7.071 0.002 . 3 . . . . . 27 Phe QE . 16775 1 288 . 1 . 1 29 29 PHE HE2 H 1 7.071 0.002 . 3 . . . . . 27 Phe QE . 16775 1 289 . 1 . 1 29 29 PHE HZ H 1 6.806 0.000 . 1 . . . . . 27 Phe HZ . 16775 1 290 . 1 . 1 29 29 PHE CA C 13 57.933 0.068 . 1 . . . . . 27 Phe CA . 16775 1 291 . 1 . 1 29 29 PHE CB C 13 35.706 0.104 . 1 . . . . . 27 Phe CB . 16775 1 292 . 1 . 1 29 29 PHE CD1 C 13 130.499 0.077 . 3 . . . . . 27 Phe CD1 . 16775 1 293 . 1 . 1 29 29 PHE CD2 C 13 130.499 0.077 . 3 . . . . . 27 Phe CD2 . 16775 1 294 . 1 . 1 29 29 PHE CE1 C 13 129.859 0.187 . 3 . . . . . 27 Phe CE1 . 16775 1 295 . 1 . 1 29 29 PHE CE2 C 13 129.859 0.187 . 3 . . . . . 27 Phe CE2 . 16775 1 296 . 1 . 1 29 29 PHE CZ C 13 127.833 0.012 . 1 . . . . . 27 Phe CZ . 16775 1 297 . 1 . 1 29 29 PHE N N 15 129.796 0.036 . 1 . . . . . 27 Phe N . 16775 1 298 . 1 . 1 30 30 SER H H 1 7.607 0.008 . 1 . . . . . 28 Ser H . 16775 1 299 . 1 . 1 30 30 SER HA H 1 5.086 0.003 . 1 . . . . . 28 Ser HA . 16775 1 300 . 1 . 1 30 30 SER HB2 H 1 4.097 0.004 . 2 . . . . . 28 Ser HB2 . 16775 1 301 . 1 . 1 30 30 SER HB3 H 1 3.875 0.003 . 2 . . . . . 28 Ser HB3 . 16775 1 302 . 1 . 1 30 30 SER CA C 13 53.61 0.052 . 1 . . . . . 28 Ser CA . 16775 1 303 . 1 . 1 30 30 SER CB C 13 63.44 0.033 . 1 . . . . . 28 Ser CB . 16775 1 304 . 1 . 1 30 30 SER N N 15 117.777 0.058 . 1 . . . . . 28 Ser N . 16775 1 305 . 1 . 1 31 31 PRO HA H 1 4.038 0.010 . 1 . . . . . 29 Pro HA . 16775 1 306 . 1 . 1 31 31 PRO HB2 H 1 2.265 0.003 . 2 . . . . . 29 Pro HB2 . 16775 1 307 . 1 . 1 31 31 PRO HB3 H 1 2.115 0.006 . 2 . . . . . 29 Pro HB3 . 16775 1 308 . 1 . 1 31 31 PRO HD2 H 1 3.904 0.001 . 2 . . . . . 29 Pro HD2 . 16775 1 309 . 1 . 1 31 31 PRO HD3 H 1 3.657 0.002 . 2 . . . . . 29 Pro HD3 . 16775 1 310 . 1 . 1 31 31 PRO HG2 H 1 2.386 0.003 . 2 . . . . . 29 Pro HG2 . 16775 1 311 . 1 . 1 31 31 PRO HG3 H 1 1.923 0.002 . 2 . . . . . 29 Pro HG3 . 16775 1 312 . 1 . 1 31 31 PRO CA C 13 65.928 0.055 . 1 . . . . . 29 Pro CA . 16775 1 313 . 1 . 1 31 31 PRO CB C 13 30.562 0.042 . 1 . . . . . 29 Pro CB . 16775 1 314 . 1 . 1 31 31 PRO CD C 13 49.365 0.035 . 1 . . . . . 29 Pro CD . 16775 1 315 . 1 . 1 31 31 PRO CG C 13 27.037 0.095 . 1 . . . . . 29 Pro CG . 16775 1 316 . 1 . 1 31 31 PRO N N 15 107.165 0.155 . 1 . . . . . 29 Pro N . 16775 1 317 . 1 . 1 32 32 ALA H H 1 8.378 0.012 . 1 . . . . . 30 Ala H . 16775 1 318 . 1 . 1 32 32 ALA HA H 1 4.14 0.005 . 1 . . . . . 30 Ala HA . 16775 1 319 . 1 . 1 32 32 ALA HB1 H 1 1.469 0.003 . 3 . . . . . 30 Ala QB . 16775 1 320 . 1 . 1 32 32 ALA HB2 H 1 1.469 0.003 . 3 . . . . . 30 Ala QB . 16775 1 321 . 1 . 1 32 32 ALA HB3 H 1 1.469 0.003 . 3 . . . . . 30 Ala QB . 16775 1 322 . 1 . 1 32 32 ALA CA C 13 54.342 0.077 . 1 . . . . . 30 Ala CA . 16775 1 323 . 1 . 1 32 32 ALA CB C 13 17.292 0.096 . 1 . . . . . 30 Ala CB . 16775 1 324 . 1 . 1 32 32 ALA N N 15 117.827 0.054 . 1 . . . . . 30 Ala N . 16775 1 325 . 1 . 1 33 33 THR H H 1 7.364 0.006 . 1 . . . . . 31 Thr H . 16775 1 326 . 1 . 1 33 33 THR HA H 1 4.106 0.004 . 1 . . . . . 31 Thr HA . 16775 1 327 . 1 . 1 33 33 THR HB H 1 4.306 0.002 . 1 . . . . . 31 Thr HB . 16775 1 328 . 1 . 1 33 33 THR HG21 H 1 1.336 0.003 . 3 . . . . . 31 Thr QG2 . 16775 1 329 . 1 . 1 33 33 THR HG22 H 1 1.336 0.003 . 3 . . . . . 31 Thr QG2 . 16775 1 330 . 1 . 1 33 33 THR HG23 H 1 1.336 0.003 . 3 . . . . . 31 Thr QG2 . 16775 1 331 . 1 . 1 33 33 THR CA C 13 64.961 0.090 . 1 . . . . . 31 Thr CA . 16775 1 332 . 1 . 1 33 33 THR CB C 13 67.764 0.084 . 1 . . . . . 31 Thr CB . 16775 1 333 . 1 . 1 33 33 THR CG2 C 13 21.706 0.029 . 1 . . . . . 31 Thr CG2 . 16775 1 334 . 1 . 1 33 33 THR N N 15 114.776 0.050 . 1 . . . . . 31 Thr N . 16775 1 335 . 1 . 1 34 34 ILE H H 1 8.282 0.008 . 1 . . . . . 32 Ile H . 16775 1 336 . 1 . 1 34 34 ILE HA H 1 3.409 0.005 . 1 . . . . . 32 Ile HA . 16775 1 337 . 1 . 1 34 34 ILE HB H 1 1.949 0.013 . 1 . . . . . 32 Ile HB . 16775 1 338 . 1 . 1 34 34 ILE HD11 H 1 0.503 0.004 . 3 . . . . . 32 Ile QD1 . 16775 1 339 . 1 . 1 34 34 ILE HD12 H 1 0.503 0.004 . 3 . . . . . 32 Ile QD1 . 16775 1 340 . 1 . 1 34 34 ILE HD13 H 1 0.503 0.004 . 3 . . . . . 32 Ile QD1 . 16775 1 341 . 1 . 1 34 34 ILE HG12 H 1 1.613 0.010 . 2 . . . . . 32 Ile HG12 . 16775 1 342 . 1 . 1 34 34 ILE HG13 H 1 0.726 0.004 . 2 . . . . . 32 Ile HG13 . 16775 1 343 . 1 . 1 34 34 ILE HG21 H 1 0.991 0.004 . 3 . . . . . 32 Ile QG2 . 16775 1 344 . 1 . 1 34 34 ILE HG22 H 1 0.991 0.004 . 3 . . . . . 32 Ile QG2 . 16775 1 345 . 1 . 1 34 34 ILE HG23 H 1 0.991 0.004 . 3 . . . . . 32 Ile QG2 . 16775 1 346 . 1 . 1 34 34 ILE CA C 13 64.795 0.060 . 1 . . . . . 32 Ile CA . 16775 1 347 . 1 . 1 34 34 ILE CB C 13 36.031 0.055 . 1 . . . . . 32 Ile CB . 16775 1 348 . 1 . 1 34 34 ILE CD1 C 13 12.068 0.056 . 1 . . . . . 32 Ile CD1 . 16775 1 349 . 1 . 1 34 34 ILE CG1 C 13 28.086 0.064 . 1 . . . . . 32 Ile CG1 . 16775 1 350 . 1 . 1 34 34 ILE CG2 C 13 17.212 0.047 . 1 . . . . . 32 Ile CG2 . 16775 1 351 . 1 . 1 34 34 ILE N N 15 121.362 0.048 . 1 . . . . . 32 Ile N . 16775 1 352 . 1 . 1 35 35 GLU H H 1 8.545 0.009 . 1 . . . . . 33 Glu H . 16775 1 353 . 1 . 1 35 35 GLU HA H 1 3.753 0.002 . 1 . . . . . 33 Glu HA . 16775 1 354 . 1 . 1 35 35 GLU HB2 H 1 2.204 0.004 . 2 . . . . . 33 Glu HB2 . 16775 1 355 . 1 . 1 35 35 GLU HB3 H 1 2.135 0.005 . 2 . . . . . 33 Glu HB3 . 16775 1 356 . 1 . 1 35 35 GLU HG2 H 1 2.54 0.004 . 2 . . . . . 33 Glu HG2 . 16775 1 357 . 1 . 1 35 35 GLU HG3 H 1 2.112 0.002 . 2 . . . . . 33 Glu HG3 . 16775 1 358 . 1 . 1 35 35 GLU CA C 13 59.662 0.080 . 1 . . . . . 33 Glu CA . 16775 1 359 . 1 . 1 35 35 GLU CB C 13 27.946 0.081 . 1 . . . . . 33 Glu CB . 16775 1 360 . 1 . 1 35 35 GLU CG C 13 36.634 0.032 . 1 . . . . . 33 Glu CG . 16775 1 361 . 1 . 1 35 35 GLU N N 15 119.803 0.051 . 1 . . . . . 33 Glu N . 16775 1 362 . 1 . 1 36 36 ASN H H 1 7.513 0.008 . 1 . . . . . 34 Asn H . 16775 1 363 . 1 . 1 36 36 ASN HA H 1 4.476 0.005 . 1 . . . . . 34 Asn HA . 16775 1 364 . 1 . 1 36 36 ASN HB2 H 1 3.042 0.003 . 2 . . . . . 34 Asn HB2 . 16775 1 365 . 1 . 1 36 36 ASN HB3 H 1 2.958 0.002 . 2 . . . . . 34 Asn HB3 . 16775 1 366 . 1 . 1 36 36 ASN HD21 H 1 7.681 0.000 . 2 . . . . . 34 Asn HD21 . 16775 1 367 . 1 . 1 36 36 ASN HD22 H 1 6.905 0.000 . 2 . . . . . 34 Asn HD22 . 16775 1 368 . 1 . 1 36 36 ASN CA C 13 55.564 0.106 . 1 . . . . . 34 Asn CA . 16775 1 369 . 1 . 1 36 36 ASN CB C 13 37.645 0.035 . 1 . . . . . 34 Asn CB . 16775 1 370 . 1 . 1 36 36 ASN N N 15 115.955 0.050 . 1 . . . . . 34 Asn N . 16775 1 371 . 1 . 1 36 36 ASN ND2 N 15 112.717 0.001 . 1 . . . . . 34 Asn ND2 . 16775 1 372 . 1 . 1 37 37 GLU H H 1 8.572 0.009 . 1 . . . . . 35 Glu H . 16775 1 373 . 1 . 1 37 37 GLU HA H 1 4.154 0.004 . 1 . . . . . 35 Glu HA . 16775 1 374 . 1 . 1 37 37 GLU HB2 H 1 2.447 0.004 . 2 . . . . . 35 Glu HB2 . 16775 1 375 . 1 . 1 37 37 GLU HB3 H 1 2.227 0.005 . 2 . . . . . 35 Glu HB3 . 16775 1 376 . 1 . 1 37 37 GLU HG2 H 1 2.665 0.004 . 2 . . . . . 35 Glu HG2 . 16775 1 377 . 1 . 1 37 37 GLU HG3 H 1 2.137 0.005 . 2 . . . . . 35 Glu HG3 . 16775 1 378 . 1 . 1 37 37 GLU CA C 13 57.622 0.052 . 1 . . . . . 35 Glu CA . 16775 1 379 . 1 . 1 37 37 GLU CB C 13 27.903 0.088 . 1 . . . . . 35 Glu CB . 16775 1 380 . 1 . 1 37 37 GLU CG C 13 35.024 0.060 . 1 . . . . . 35 Glu CG . 16775 1 381 . 1 . 1 37 37 GLU N N 15 117.896 0.051 . 1 . . . . . 35 Glu N . 16775 1 382 . 1 . 1 38 38 LEU H H 1 9.077 0.008 . 1 . . . . . 36 Leu H . 16775 1 383 . 1 . 1 38 38 LEU HA H 1 3.687 0.007 . 1 . . . . . 36 Leu HA . 16775 1 384 . 1 . 1 38 38 LEU HB2 H 1 1.86 0.005 . 2 . . . . . 36 Leu HB2 . 16775 1 385 . 1 . 1 38 38 LEU HB3 H 1 1.333 0.002 . 2 . . . . . 36 Leu HB3 . 16775 1 386 . 1 . 1 38 38 LEU HD11 H 1 0.63 0.005 . 3 . . . . . 36 Leu QD1 . 16775 1 387 . 1 . 1 38 38 LEU HD12 H 1 0.63 0.005 . 3 . . . . . 36 Leu QD1 . 16775 1 388 . 1 . 1 38 38 LEU HD13 H 1 0.63 0.005 . 3 . . . . . 36 Leu QD1 . 16775 1 389 . 1 . 1 38 38 LEU HD21 H 1 0.128 0.005 . 3 . . . . . 36 Leu QD2 . 16775 1 390 . 1 . 1 38 38 LEU HD22 H 1 0.128 0.005 . 3 . . . . . 36 Leu QD2 . 16775 1 391 . 1 . 1 38 38 LEU HD23 H 1 0.128 0.005 . 3 . . . . . 36 Leu QD2 . 16775 1 392 . 1 . 1 38 38 LEU HG H 1 1.337 0.007 . 1 . . . . . 36 Leu HG . 16775 1 393 . 1 . 1 38 38 LEU CA C 13 56.419 0.049 . 1 . . . . . 36 Leu CA . 16775 1 394 . 1 . 1 38 38 LEU CB C 13 39.541 0.061 . 1 . . . . . 36 Leu CB . 16775 1 395 . 1 . 1 38 38 LEU CD1 C 13 24.861 0.058 . 2 . . . . . 36 Leu CD1 . 16775 1 396 . 1 . 1 38 38 LEU CD2 C 13 19.523 0.332 . 2 . . . . . 36 Leu CD2 . 16775 1 397 . 1 . 1 38 38 LEU CG C 13 25.145 0.105 . 1 . . . . . 36 Leu CG . 16775 1 398 . 1 . 1 38 38 LEU N N 15 125.242 0.078 . 1 . . . . . 36 Leu N . 16775 1 399 . 1 . 1 39 39 ILE H H 1 8.003 0.009 . 1 . . . . . 37 Ile H . 16775 1 400 . 1 . 1 39 39 ILE HA H 1 3.643 0.005 . 1 . . . . . 37 Ile HA . 16775 1 401 . 1 . 1 39 39 ILE HB H 1 1.96 0.006 . 1 . . . . . 37 Ile HB . 16775 1 402 . 1 . 1 39 39 ILE HD11 H 1 0.914 0.003 . 3 . . . . . 37 Ile QD1 . 16775 1 403 . 1 . 1 39 39 ILE HD12 H 1 0.914 0.003 . 3 . . . . . 37 Ile QD1 . 16775 1 404 . 1 . 1 39 39 ILE HD13 H 1 0.914 0.003 . 3 . . . . . 37 Ile QD1 . 16775 1 405 . 1 . 1 39 39 ILE HG12 H 1 1.784 0.002 . 2 . . . . . 37 Ile HG12 . 16775 1 406 . 1 . 1 39 39 ILE HG13 H 1 1.073 0.005 . 2 . . . . . 37 Ile HG13 . 16775 1 407 . 1 . 1 39 39 ILE HG21 H 1 0.926 0.002 . 3 . . . . . 37 Ile QG2 . 16775 1 408 . 1 . 1 39 39 ILE HG22 H 1 0.926 0.002 . 3 . . . . . 37 Ile QG2 . 16775 1 409 . 1 . 1 39 39 ILE HG23 H 1 0.926 0.002 . 3 . . . . . 37 Ile QG2 . 16775 1 410 . 1 . 1 39 39 ILE CA C 13 64.558 0.063 . 1 . . . . . 37 Ile CA . 16775 1 411 . 1 . 1 39 39 ILE CB C 13 37.046 0.060 . 1 . . . . . 37 Ile CB . 16775 1 412 . 1 . 1 39 39 ILE CD1 C 13 12.161 0.059 . 1 . . . . . 37 Ile CD1 . 16775 1 413 . 1 . 1 39 39 ILE CG1 C 13 28.476 0.069 . 1 . . . . . 37 Ile CG1 . 16775 1 414 . 1 . 1 39 39 ILE CG2 C 13 15.884 0.055 . 1 . . . . . 37 Ile CG2 . 16775 1 415 . 1 . 1 39 39 ILE N N 15 120.819 0.059 . 1 . . . . . 37 Ile N . 16775 1 416 . 1 . 1 40 40 LYS H H 1 7.472 0.007 . 1 . . . . . 38 Lys H . 16775 1 417 . 1 . 1 40 40 LYS HA H 1 3.982 0.003 . 1 . . . . . 38 Lys HA . 16775 1 418 . 1 . 1 40 40 LYS HB2 H 1 2.051 0.003 . 2 . . . . . 38 Lys QB . 16775 1 419 . 1 . 1 40 40 LYS HB3 H 1 2.051 0.003 . 2 . . . . . 38 Lys QB . 16775 1 420 . 1 . 1 40 40 LYS HD2 H 1 1.783 0.007 . 2 . . . . . 38 Lys QD . 16775 1 421 . 1 . 1 40 40 LYS HD3 H 1 1.783 0.007 . 2 . . . . . 38 Lys QD . 16775 1 422 . 1 . 1 40 40 LYS HE2 H 1 3.011 0.000 . 2 . . . . . 38 Lys QE . 16775 1 423 . 1 . 1 40 40 LYS HE3 H 1 3.011 0.000 . 2 . . . . . 38 Lys QE . 16775 1 424 . 1 . 1 40 40 LYS HG2 H 1 1.495 0.003 . 2 . . . . . 38 Lys QG . 16775 1 425 . 1 . 1 40 40 LYS HG3 H 1 1.495 0.003 . 2 . . . . . 38 Lys QG . 16775 1 426 . 1 . 1 40 40 LYS CA C 13 59.24 0.061 . 1 . . . . . 38 Lys CA . 16775 1 427 . 1 . 1 40 40 LYS CB C 13 31.311 0.067 . 1 . . . . . 38 Lys CB . 16775 1 428 . 1 . 1 40 40 LYS CD C 13 28.337 0.016 . 1 . . . . . 38 Lys CD . 16775 1 429 . 1 . 1 40 40 LYS CE C 13 40.622 0.080 . 1 . . . . . 38 Lys CE . 16775 1 430 . 1 . 1 40 40 LYS CG C 13 23.969 0.052 . 1 . . . . . 38 Lys CG . 16775 1 431 . 1 . 1 40 40 LYS N N 15 119.156 0.037 . 1 . . . . . 38 Lys N . 16775 1 432 . 1 . 1 41 41 PHE H H 1 8.931 0.006 . 1 . . . . . 39 Phe H . 16775 1 433 . 1 . 1 41 41 PHE HA H 1 4.381 0.006 . 1 . . . . . 39 Phe HA . 16775 1 434 . 1 . 1 41 41 PHE HB2 H 1 3.587 0.005 . 2 . . . . . 39 Phe HB2 . 16775 1 435 . 1 . 1 41 41 PHE HB3 H 1 3.096 0.005 . 2 . . . . . 39 Phe HB3 . 16775 1 436 . 1 . 1 41 41 PHE HD1 H 1 7.28 0.004 . 3 . . . . . 39 Phe QD . 16775 1 437 . 1 . 1 41 41 PHE HD2 H 1 7.28 0.004 . 3 . . . . . 39 Phe QD . 16775 1 438 . 1 . 1 41 41 PHE HE1 H 1 6.899 0.003 . 3 . . . . . 39 Phe QE . 16775 1 439 . 1 . 1 41 41 PHE HE2 H 1 6.899 0.003 . 3 . . . . . 39 Phe QE . 16775 1 440 . 1 . 1 41 41 PHE HZ H 1 7.006 0.003 . 1 . . . . . 39 Phe HZ . 16775 1 441 . 1 . 1 41 41 PHE CA C 13 60.636 0.064 . 1 . . . . . 39 Phe CA . 16775 1 442 . 1 . 1 41 41 PHE CB C 13 39.554 0.054 . 1 . . . . . 39 Phe CB . 16775 1 443 . 1 . 1 41 41 PHE CD1 C 13 131.798 0.078 . 3 . . . . . 39 Phe CD1 . 16775 1 444 . 1 . 1 41 41 PHE CD2 C 13 131.798 0.078 . 3 . . . . . 39 Phe CD2 . 16775 1 445 . 1 . 1 41 41 PHE CE1 C 13 129.911 0.075 . 3 . . . . . 39 Phe CE1 . 16775 1 446 . 1 . 1 41 41 PHE CE2 C 13 129.911 0.075 . 3 . . . . . 39 Phe CE2 . 16775 1 447 . 1 . 1 41 41 PHE CZ C 13 127.836 0.022 . 1 . . . . . 39 Phe CZ . 16775 1 448 . 1 . 1 41 41 PHE N N 15 124.241 0.045 . 1 . . . . . 39 Phe N . 16775 1 449 . 1 . 1 42 42 CYS H H 1 8.817 0.010 . 1 . . . . . 40 Cys H . 16775 1 450 . 1 . 1 42 42 CYS HA H 1 4.75 0.003 . 1 . . . . . 40 Cys HA . 16775 1 451 . 1 . 1 42 42 CYS HB2 H 1 3.436 0.003 . 2 . . . . . 40 Cys HB2 . 16775 1 452 . 1 . 1 42 42 CYS HB3 H 1 2.821 0.003 . 2 . . . . . 40 Cys HB3 . 16775 1 453 . 1 . 1 42 42 CYS CA C 13 57.837 0.097 . 1 . . . . . 40 Cys CA . 16775 1 454 . 1 . 1 42 42 CYS CB C 13 41.25 0.082 . 1 . . . . . 40 Cys CB . 16775 1 455 . 1 . 1 42 42 CYS N N 15 115.847 0.085 . 1 . . . . . 40 Cys N . 16775 1 456 . 1 . 1 43 43 ARG H H 1 7.81 0.005 . 1 . . . . . 41 Arg H . 16775 1 457 . 1 . 1 43 43 ARG HA H 1 4.162 0.004 . 1 . . . . . 41 Arg HA . 16775 1 458 . 1 . 1 43 43 ARG HB2 H 1 2.088 0.009 . 2 . . . . . 41 Arg HB2 . 16775 1 459 . 1 . 1 43 43 ARG HB3 H 1 2.018 0.004 . 2 . . . . . 41 Arg HB3 . 16775 1 460 . 1 . 1 43 43 ARG HD2 H 1 3.302 0.003 . 2 . . . . . 41 Arg QD . 16775 1 461 . 1 . 1 43 43 ARG HD3 H 1 3.302 0.003 . 2 . . . . . 41 Arg QD . 16775 1 462 . 1 . 1 43 43 ARG HG2 H 1 2.081 0.002 . 2 . . . . . 41 Arg HG2 . 16775 1 463 . 1 . 1 43 43 ARG HG3 H 1 1.812 0.002 . 2 . . . . . 41 Arg HG3 . 16775 1 464 . 1 . 1 43 43 ARG CA C 13 58.458 0.083 . 1 . . . . . 41 Arg CA . 16775 1 465 . 1 . 1 43 43 ARG CB C 13 28.791 0.029 . 1 . . . . . 41 Arg CB . 16775 1 466 . 1 . 1 43 43 ARG CD C 13 42.339 0.045 . 1 . . . . . 41 Arg CD . 16775 1 467 . 1 . 1 43 43 ARG CG C 13 27.079 0.047 . 1 . . . . . 41 Arg CG . 16775 1 468 . 1 . 1 43 43 ARG N N 15 121.644 0.046 . 1 . . . . . 41 Arg N . 16775 1 469 . 1 . 1 44 44 GLU H H 1 7.298 0.007 . 1 . . . . . 42 Glu H . 16775 1 470 . 1 . 1 44 44 GLU HA H 1 4.474 0.002 . 1 . . . . . 42 Glu HA . 16775 1 471 . 1 . 1 44 44 GLU HB2 H 1 2.326 0.004 . 2 . . . . . 42 Glu HB2 . 16775 1 472 . 1 . 1 44 44 GLU HB3 H 1 1.83 0.002 . 2 . . . . . 42 Glu HB3 . 16775 1 473 . 1 . 1 44 44 GLU HG2 H 1 2.342 0.005 . 2 . . . . . 42 Glu HG2 . 16775 1 474 . 1 . 1 44 44 GLU HG3 H 1 2.23 0.007 . 2 . . . . . 42 Glu HG3 . 16775 1 475 . 1 . 1 44 44 GLU CA C 13 53.688 0.072 . 1 . . . . . 42 Glu CA . 16775 1 476 . 1 . 1 44 44 GLU CB C 13 28.771 0.050 . 1 . . . . . 42 Glu CB . 16775 1 477 . 1 . 1 44 44 GLU CG C 13 34.889 0.041 . 1 . . . . . 42 Glu CG . 16775 1 478 . 1 . 1 44 44 GLU N N 15 114.066 0.045 . 1 . . . . . 42 Glu N . 16775 1 479 . 1 . 1 45 45 ALA H H 1 7.188 0.007 . 1 . . . . . 43 Ala H . 16775 1 480 . 1 . 1 45 45 ALA HA H 1 4.365 0.006 . 1 . . . . . 43 Ala HA . 16775 1 481 . 1 . 1 45 45 ALA HB1 H 1 1.38 0.004 . 3 . . . . . 43 Ala QB . 16775 1 482 . 1 . 1 45 45 ALA HB2 H 1 1.38 0.004 . 3 . . . . . 43 Ala QB . 16775 1 483 . 1 . 1 45 45 ALA HB3 H 1 1.38 0.004 . 3 . . . . . 43 Ala QB . 16775 1 484 . 1 . 1 45 45 ALA CA C 13 51.775 0.063 . 1 . . . . . 43 Ala CA . 16775 1 485 . 1 . 1 45 45 ALA CB C 13 18.231 0.065 . 1 . . . . . 43 Ala CB . 16775 1 486 . 1 . 1 45 45 ALA N N 15 123.423 0.038 . 1 . . . . . 43 Ala N . 16775 1 487 . 1 . 1 46 46 ARG H H 1 9.228 0.011 . 1 . . . . . 44 Arg H . 16775 1 488 . 1 . 1 46 46 ARG HA H 1 4.812 0.001 . 1 . . . . . 44 Arg HA . 16775 1 489 . 1 . 1 46 46 ARG HB2 H 1 1.958 0.002 . 2 . . . . . 44 Arg HB2 . 16775 1 490 . 1 . 1 46 46 ARG HB3 H 1 1.806 0.001 . 2 . . . . . 44 Arg HB3 . 16775 1 491 . 1 . 1 46 46 ARG HD2 H 1 3.321 0.001 . 2 . . . . . 44 Arg HD2 . 16775 1 492 . 1 . 1 46 46 ARG HD3 H 1 3.214 0.003 . 2 . . . . . 44 Arg HD3 . 16775 1 493 . 1 . 1 46 46 ARG HG2 H 1 1.759 0.003 . 2 . . . . . 44 Arg QG . 16775 1 494 . 1 . 1 46 46 ARG HG3 H 1 1.759 0.003 . 2 . . . . . 44 Arg QG . 16775 1 495 . 1 . 1 46 46 ARG CA C 13 52.431 0.071 . 1 . . . . . 44 Arg CA . 16775 1 496 . 1 . 1 46 46 ARG CB C 13 32.753 0.049 . 1 . . . . . 44 Arg CB . 16775 1 497 . 1 . 1 46 46 ARG CD C 13 41.905 0.046 . 1 . . . . . 44 Arg CD . 16775 1 498 . 1 . 1 46 46 ARG CG C 13 25.839 0.033 . 1 . . . . . 44 Arg CG . 16775 1 499 . 1 . 1 46 46 ARG N N 15 121.278 0.049 . 1 . . . . . 44 Arg N . 16775 1 500 . 1 . 1 47 47 GLY HA2 H 1 4.129 0.005 . 2 . . . . . 45 Gly HA2 . 16775 1 501 . 1 . 1 47 47 GLY HA3 H 1 3.87 0.003 . 2 . . . . . 45 Gly HA3 . 16775 1 502 . 1 . 1 47 47 GLY CA C 13 45.773 0.040 . 1 . . . . . 45 Gly CA . 16775 1 503 . 1 . 1 48 48 LYS HA H 1 3.96 0.006 . 1 . . . . . 46 Lys HA . 16775 1 504 . 1 . 1 48 48 LYS HB2 H 1 1.871 0.000 . 2 . . . . . 46 Lys QB . 16775 1 505 . 1 . 1 48 48 LYS HB3 H 1 1.871 0.000 . 2 . . . . . 46 Lys QB . 16775 1 506 . 1 . 1 48 48 LYS HD2 H 1 1.766 0.004 . 2 . . . . . 46 Lys HD2 . 16775 1 507 . 1 . 1 48 48 LYS HD3 H 1 1.649 0.003 . 2 . . . . . 46 Lys HD3 . 16775 1 508 . 1 . 1 48 48 LYS HE2 H 1 3.2 0.004 . 2 . . . . . 46 Lys QE . 16775 1 509 . 1 . 1 48 48 LYS HE3 H 1 3.2 0.004 . 2 . . . . . 46 Lys QE . 16775 1 510 . 1 . 1 48 48 LYS HG2 H 1 1.844 0.004 . 2 . . . . . 46 Lys QG . 16775 1 511 . 1 . 1 48 48 LYS HG3 H 1 1.844 0.004 . 2 . . . . . 46 Lys QG . 16775 1 512 . 1 . 1 48 48 LYS CA C 13 57.172 0.047 . 1 . . . . . 46 Lys CA . 16775 1 513 . 1 . 1 48 48 LYS CB C 13 31.524 0.061 . 1 . . . . . 46 Lys CB . 16775 1 514 . 1 . 1 48 48 LYS CD C 13 27.425 0.028 . 1 . . . . . 46 Lys CD . 16775 1 515 . 1 . 1 48 48 LYS CE C 13 41.194 0.116 . 1 . . . . . 46 Lys CE . 16775 1 516 . 1 . 1 48 48 LYS CG C 13 24.148 0.047 . 1 . . . . . 46 Lys CG . 16775 1 517 . 1 . 1 48 48 LYS N N 15 126.853 0.047 . 1 . . . . . 46 Lys N . 16775 1 518 . 1 . 1 49 49 GLU H H 1 7.882 0.005 . 1 . . . . . 47 Glu H . 16775 1 519 . 1 . 1 49 49 GLU HA H 1 3.432 0.006 . 1 . . . . . 47 Glu HA . 16775 1 520 . 1 . 1 49 49 GLU HB2 H 1 2.191 0.008 . 2 . . . . . 47 Glu HB2 . 16775 1 521 . 1 . 1 49 49 GLU HB3 H 1 1.349 0.005 . 2 . . . . . 47 Glu HB3 . 16775 1 522 . 1 . 1 49 49 GLU HG2 H 1 2.73 0.007 . 2 . . . . . 47 Glu HG2 . 16775 1 523 . 1 . 1 49 49 GLU HG3 H 1 2.029 0.009 . 2 . . . . . 47 Glu HG3 . 16775 1 524 . 1 . 1 49 49 GLU CA C 13 57.848 0.078 . 1 . . . . . 47 Glu CA . 16775 1 525 . 1 . 1 49 49 GLU CB C 13 26.575 0.051 . 1 . . . . . 47 Glu CB . 16775 1 526 . 1 . 1 49 49 GLU CG C 13 37.456 0.038 . 1 . . . . . 47 Glu CG . 16775 1 527 . 1 . 1 49 49 GLU N N 15 116.797 0.049 . 1 . . . . . 47 Glu N . 16775 1 528 . 1 . 1 50 50 ASN H H 1 6.717 0.005 . 1 . . . . . 48 Asn H . 16775 1 529 . 1 . 1 50 50 ASN HA H 1 3.902 0.004 . 1 . . . . . 48 Asn HA . 16775 1 530 . 1 . 1 50 50 ASN HB2 H 1 2.717 0.001 . 2 . . . . . 48 Asn HB2 . 16775 1 531 . 1 . 1 50 50 ASN HB3 H 1 2.478 0.004 . 2 . . . . . 48 Asn HB3 . 16775 1 532 . 1 . 1 50 50 ASN HD21 H 1 7.748 0.000 . 2 . . . . . 48 Asn HD21 . 16775 1 533 . 1 . 1 50 50 ASN HD22 H 1 7.086 0.000 . 2 . . . . . 48 Asn HD22 . 16775 1 534 . 1 . 1 50 50 ASN CA C 13 55.663 0.068 . 1 . . . . . 48 Asn CA . 16775 1 535 . 1 . 1 50 50 ASN CB C 13 37.747 0.088 . 1 . . . . . 48 Asn CB . 16775 1 536 . 1 . 1 50 50 ASN N N 15 118.757 0.035 . 1 . . . . . 48 Asn N . 16775 1 537 . 1 . 1 50 50 ASN ND2 N 15 113.594 0.001 . 1 . . . . . 48 Asn ND2 . 16775 1 538 . 1 . 1 51 51 ARG H H 1 7.288 0.008 . 1 . . . . . 49 Arg H . 16775 1 539 . 1 . 1 51 51 ARG HA H 1 3.782 0.007 . 1 . . . . . 49 Arg HA . 16775 1 540 . 1 . 1 51 51 ARG HB2 H 1 1.991 0.001 . 2 . . . . . 49 Arg QB . 16775 1 541 . 1 . 1 51 51 ARG HB3 H 1 1.991 0.001 . 2 . . . . . 49 Arg QB . 16775 1 542 . 1 . 1 51 51 ARG HD2 H 1 3.082 0.001 . 2 . . . . . 49 Arg HD2 . 16775 1 543 . 1 . 1 51 51 ARG HD3 H 1 2.923 0.006 . 2 . . . . . 49 Arg HD3 . 16775 1 544 . 1 . 1 51 51 ARG HG2 H 1 1.674 0.004 . 2 . . . . . 49 Arg QG . 16775 1 545 . 1 . 1 51 51 ARG HG3 H 1 1.674 0.004 . 2 . . . . . 49 Arg QG . 16775 1 546 . 1 . 1 51 51 ARG CA C 13 56.514 0.049 . 1 . . . . . 49 Arg CA . 16775 1 547 . 1 . 1 51 51 ARG CB C 13 27.976 0.086 . 1 . . . . . 49 Arg CB . 16775 1 548 . 1 . 1 51 51 ARG CD C 13 41.638 0.037 . 1 . . . . . 49 Arg CD . 16775 1 549 . 1 . 1 51 51 ARG CG C 13 24.169 0.044 . 1 . . . . . 49 Arg CG . 16775 1 550 . 1 . 1 51 51 ARG N N 15 117.784 0.050 . 1 . . . . . 49 Arg N . 16775 1 551 . 1 . 1 52 52 LEU H H 1 7.542 0.008 . 1 . . . . . 50 Leu H . 16775 1 552 . 1 . 1 52 52 LEU HA H 1 3.85 0.005 . 1 . . . . . 50 Leu HA . 16775 1 553 . 1 . 1 52 52 LEU HB2 H 1 1.935 0.006 . 2 . . . . . 50 Leu HB2 . 16775 1 554 . 1 . 1 52 52 LEU HB3 H 1 1.341 0.005 . 2 . . . . . 50 Leu HB3 . 16775 1 555 . 1 . 1 52 52 LEU HD11 H 1 1.036 0.005 . 3 . . . . . 50 Leu QD1 . 16775 1 556 . 1 . 1 52 52 LEU HD12 H 1 1.036 0.005 . 3 . . . . . 50 Leu QD1 . 16775 1 557 . 1 . 1 52 52 LEU HD13 H 1 1.036 0.005 . 3 . . . . . 50 Leu QD1 . 16775 1 558 . 1 . 1 52 52 LEU HD21 H 1 0.962 0.003 . 3 . . . . . 50 Leu QD2 . 16775 1 559 . 1 . 1 52 52 LEU HD22 H 1 0.962 0.003 . 3 . . . . . 50 Leu QD2 . 16775 1 560 . 1 . 1 52 52 LEU HD23 H 1 0.962 0.003 . 3 . . . . . 50 Leu QD2 . 16775 1 561 . 1 . 1 52 52 LEU HG H 1 1.641 0.000 . 1 . . . . . 50 Leu HG . 16775 1 562 . 1 . 1 52 52 LEU CA C 13 57.592 0.048 . 1 . . . . . 50 Leu CA . 16775 1 563 . 1 . 1 52 52 LEU CB C 13 39.381 0.069 . 1 . . . . . 50 Leu CB . 16775 1 564 . 1 . 1 52 52 LEU CD1 C 13 26.517 0.079 . 2 . . . . . 50 Leu CD1 . 16775 1 565 . 1 . 1 52 52 LEU CD2 C 13 23.775 0.078 . 2 . . . . . 50 Leu CD2 . 16775 1 566 . 1 . 1 52 52 LEU CG C 13 25.301 0.000 . 1 . . . . . 50 Leu CG . 16775 1 567 . 1 . 1 52 52 LEU N N 15 119.066 0.048 . 1 . . . . . 50 Leu N . 16775 1 568 . 1 . 1 53 53 CYS H H 1 7.567 0.005 . 1 . . . . . 51 Cys H . 16775 1 569 . 1 . 1 53 53 CYS HA H 1 3.99 0.006 . 1 . . . . . 51 Cys HA . 16775 1 570 . 1 . 1 53 53 CYS HB2 H 1 3.458 0.000 . 2 . . . . . 51 Cys HB2 . 16775 1 571 . 1 . 1 53 53 CYS HB3 H 1 2.58 0.006 . 2 . . . . . 51 Cys HB3 . 16775 1 572 . 1 . 1 53 53 CYS CA C 13 61.362 0.075 . 1 . . . . . 51 Cys CA . 16775 1 573 . 1 . 1 53 53 CYS CB C 13 41.109 0.139 . 1 . . . . . 51 Cys CB . 16775 1 574 . 1 . 1 53 53 CYS N N 15 115.758 0.047 . 1 . . . . . 51 Cys N . 16775 1 575 . 1 . 1 54 54 TYR H H 1 8.092 0.007 . 1 . . . . . 52 Tyr H . 16775 1 576 . 1 . 1 54 54 TYR HA H 1 4.216 0.002 . 1 . . . . . 52 Tyr HA . 16775 1 577 . 1 . 1 54 54 TYR HB2 H 1 3.138 0.000 . 2 . . . . . 52 Tyr HB2 . 16775 1 578 . 1 . 1 54 54 TYR HB3 H 1 2.981 0.000 . 2 . . . . . 52 Tyr HB3 . 16775 1 579 . 1 . 1 54 54 TYR HD1 H 1 6.735 0.004 . 3 . . . . . 52 Tyr QD . 16775 1 580 . 1 . 1 54 54 TYR HD2 H 1 6.735 0.004 . 3 . . . . . 52 Tyr QD . 16775 1 581 . 1 . 1 54 54 TYR HE1 H 1 6.749 0.006 . 3 . . . . . 52 Tyr QE . 16775 1 582 . 1 . 1 54 54 TYR HE2 H 1 6.749 0.006 . 3 . . . . . 52 Tyr QE . 16775 1 583 . 1 . 1 54 54 TYR CA C 13 60.037 0.082 . 1 . . . . . 52 Tyr CA . 16775 1 584 . 1 . 1 54 54 TYR CB C 13 36.589 0.037 . 1 . . . . . 52 Tyr CB . 16775 1 585 . 1 . 1 54 54 TYR CD1 C 13 132.146 0.000 . 3 . . . . . 52 Tyr CD1 . 16775 1 586 . 1 . 1 54 54 TYR CD2 C 13 132.146 0.000 . 3 . . . . . 52 Tyr CD2 . 16775 1 587 . 1 . 1 54 54 TYR CE1 C 13 117.086 0.000 . 3 . . . . . 52 Tyr CE1 . 16775 1 588 . 1 . 1 54 54 TYR CE2 C 13 117.086 0.000 . 3 . . . . . 52 Tyr CE2 . 16775 1 589 . 1 . 1 54 54 TYR N N 15 121.922 0.042 . 1 . . . . . 52 Tyr N . 16775 1 590 . 1 . 1 55 55 TYR H H 1 8.479 0.005 . 1 . . . . . 53 Tyr H . 16775 1 591 . 1 . 1 55 55 TYR HA H 1 4.409 0.005 . 1 . . . . . 53 Tyr HA . 16775 1 592 . 1 . 1 55 55 TYR HB2 H 1 3.138 0.000 . 2 . . . . . 53 Tyr HB2 . 16775 1 593 . 1 . 1 55 55 TYR HB3 H 1 2.981 0.000 . 2 . . . . . 53 Tyr HB3 . 16775 1 594 . 1 . 1 55 55 TYR HD1 H 1 7.057 0.003 . 3 . . . . . 53 Tyr QD . 16775 1 595 . 1 . 1 55 55 TYR HD2 H 1 7.057 0.003 . 3 . . . . . 53 Tyr QD . 16775 1 596 . 1 . 1 55 55 TYR HE1 H 1 6.787 0.005 . 3 . . . . . 53 Tyr QE . 16775 1 597 . 1 . 1 55 55 TYR HE2 H 1 6.787 0.005 . 3 . . . . . 53 Tyr QE . 16775 1 598 . 1 . 1 55 55 TYR CA C 13 58.286 0.074 . 1 . . . . . 53 Tyr CA . 16775 1 599 . 1 . 1 55 55 TYR CB C 13 37.536 0.073 . 1 . . . . . 53 Tyr CB . 16775 1 600 . 1 . 1 55 55 TYR CD1 C 13 130.981 0.092 . 3 . . . . . 53 Tyr CD1 . 16775 1 601 . 1 . 1 55 55 TYR CD2 C 13 130.981 0.092 . 3 . . . . . 53 Tyr CD2 . 16775 1 602 . 1 . 1 55 55 TYR CE1 C 13 116.721 0.081 . 3 . . . . . 53 Tyr CE1 . 16775 1 603 . 1 . 1 55 55 TYR CE2 C 13 116.721 0.081 . 3 . . . . . 53 Tyr CE2 . 16775 1 604 . 1 . 1 55 55 TYR N N 15 120.619 0.047 . 1 . . . . . 53 Tyr N . 16775 1 605 . 1 . 1 56 56 ILE H H 1 7.821 0.010 . 1 . . . . . 54 Ile H . 16775 1 606 . 1 . 1 56 56 ILE HA H 1 4.266 0.005 . 1 . . . . . 54 Ile HA . 16775 1 607 . 1 . 1 56 56 ILE HB H 1 2.125 0.005 . 1 . . . . . 54 Ile HB . 16775 1 608 . 1 . 1 56 56 ILE HD11 H 1 0.855 0.016 . 3 . . . . . 54 Ile QD1 . 16775 1 609 . 1 . 1 56 56 ILE HD12 H 1 0.855 0.016 . 3 . . . . . 54 Ile QD1 . 16775 1 610 . 1 . 1 56 56 ILE HD13 H 1 0.855 0.016 . 3 . . . . . 54 Ile QD1 . 16775 1 611 . 1 . 1 56 56 ILE HG12 H 1 1.561 0.004 . 3 . . . . . 54 Ile QG1 . 16775 1 612 . 1 . 1 56 56 ILE HG13 H 1 1.561 0.004 . 3 . . . . . 54 Ile QG1 . 16775 1 613 . 1 . 1 56 56 ILE HG21 H 1 0.904 0.006 . 3 . . . . . 54 Ile QG2 . 16775 1 614 . 1 . 1 56 56 ILE HG22 H 1 0.904 0.006 . 3 . . . . . 54 Ile QG2 . 16775 1 615 . 1 . 1 56 56 ILE HG23 H 1 0.904 0.006 . 3 . . . . . 54 Ile QG2 . 16775 1 616 . 1 . 1 56 56 ILE CA C 13 60.691 0.078 . 1 . . . . . 54 Ile CA . 16775 1 617 . 1 . 1 56 56 ILE CB C 13 36.762 0.076 . 1 . . . . . 54 Ile CB . 16775 1 618 . 1 . 1 56 56 ILE CD1 C 13 12.971 0.041 . 1 . . . . . 54 Ile CD1 . 16775 1 619 . 1 . 1 56 56 ILE CG1 C 13 25.465 0.090 . 1 . . . . . 54 Ile CG1 . 16775 1 620 . 1 . 1 56 56 ILE CG2 C 13 16.269 0.059 . 1 . . . . . 54 Ile CG2 . 16775 1 621 . 1 . 1 56 56 ILE N N 15 109.784 0.066 . 1 . . . . . 54 Ile N . 16775 1 622 . 1 . 1 57 57 GLY H H 1 7.532 0.007 . 1 . . . . . 55 Gly H . 16775 1 623 . 1 . 1 57 57 GLY HA2 H 1 4.328 0.009 . 2 . . . . . 55 Gly HA2 . 16775 1 624 . 1 . 1 57 57 GLY HA3 H 1 3.725 0.006 . 2 . . . . . 55 Gly HA3 . 16775 1 625 . 1 . 1 57 57 GLY CA C 13 44.956 0.109 . 1 . . . . . 55 Gly CA . 16775 1 626 . 1 . 1 57 57 GLY N N 15 106.283 0.088 . 1 . . . . . 55 Gly N . 16775 1 627 . 1 . 1 58 58 ALA H H 1 8.281 0.011 . 1 . . . . . 56 Ala H . 16775 1 628 . 1 . 1 58 58 ALA HA H 1 4.535 0.007 . 1 . . . . . 56 Ala HA . 16775 1 629 . 1 . 1 58 58 ALA HB1 H 1 1.35 0.005 . 3 . . . . . 56 Ala QB . 16775 1 630 . 1 . 1 58 58 ALA HB2 H 1 1.35 0.005 . 3 . . . . . 56 Ala QB . 16775 1 631 . 1 . 1 58 58 ALA HB3 H 1 1.35 0.005 . 3 . . . . . 56 Ala QB . 16775 1 632 . 1 . 1 58 58 ALA CA C 13 49.943 0.063 . 1 . . . . . 56 Ala CA . 16775 1 633 . 1 . 1 58 58 ALA CB C 13 19.54 0.044 . 1 . . . . . 56 Ala CB . 16775 1 634 . 1 . 1 58 58 ALA N N 15 121.472 0.036 . 1 . . . . . 56 Ala N . 16775 1 635 . 1 . 1 59 59 THR H H 1 7.05 0.010 . 1 . . . . . 57 Thr H . 16775 1 636 . 1 . 1 59 59 THR HA H 1 4.559 0.004 . 1 . . . . . 57 Thr HA . 16775 1 637 . 1 . 1 59 59 THR HB H 1 4.49 0.003 . 1 . . . . . 57 Thr HB . 16775 1 638 . 1 . 1 59 59 THR HG21 H 1 1.015 0.005 . 3 . . . . . 57 Thr QG2 . 16775 1 639 . 1 . 1 59 59 THR HG22 H 1 1.015 0.005 . 3 . . . . . 57 Thr QG2 . 16775 1 640 . 1 . 1 59 59 THR HG23 H 1 1.015 0.005 . 3 . . . . . 57 Thr QG2 . 16775 1 641 . 1 . 1 59 59 THR CA C 13 58.973 0.078 . 1 . . . . . 57 Thr CA . 16775 1 642 . 1 . 1 59 59 THR CB C 13 69.354 0.085 . 1 . . . . . 57 Thr CB . 16775 1 643 . 1 . 1 59 59 THR CG2 C 13 21.152 0.037 . 1 . . . . . 57 Thr CG2 . 16775 1 644 . 1 . 1 59 59 THR N N 15 106.219 0.050 . 1 . . . . . 57 Thr N . 16775 1 645 . 1 . 1 60 60 ASP H H 1 8.727 0.011 . 1 . . . . . 58 Asp H . 16775 1 646 . 1 . 1 60 60 ASP HA H 1 4.439 0.005 . 1 . . . . . 58 Asp HA . 16775 1 647 . 1 . 1 60 60 ASP HB2 H 1 2.756 0.005 . 2 . . . . . 58 Asp HB2 . 16775 1 648 . 1 . 1 60 60 ASP HB3 H 1 2.666 0.007 . 2 . . . . . 58 Asp HB3 . 16775 1 649 . 1 . 1 60 60 ASP CA C 13 55.278 0.066 . 1 . . . . . 58 Asp CA . 16775 1 650 . 1 . 1 60 60 ASP CB C 13 39.565 0.070 . 1 . . . . . 58 Asp CB . 16775 1 651 . 1 . 1 60 60 ASP N N 15 120.525 0.057 . 1 . . . . . 58 Asp N . 16775 1 652 . 1 . 1 61 61 ASP H H 1 8.448 0.005 . 1 . . . . . 59 Asp H . 16775 1 653 . 1 . 1 61 61 ASP HA H 1 4.588 0.005 . 1 . . . . . 59 Asp HA . 16775 1 654 . 1 . 1 61 61 ASP HB2 H 1 2.891 0.002 . 2 . . . . . 59 Asp HB2 . 16775 1 655 . 1 . 1 61 61 ASP HB3 H 1 2.698 0.004 . 2 . . . . . 59 Asp HB3 . 16775 1 656 . 1 . 1 61 61 ASP CA C 13 51.978 0.084 . 1 . . . . . 59 Asp CA . 16775 1 657 . 1 . 1 61 61 ASP CB C 13 38.966 0.055 . 1 . . . . . 59 Asp CB . 16775 1 658 . 1 . 1 61 61 ASP N N 15 115.746 0.048 . 1 . . . . . 59 Asp N . 16775 1 659 . 1 . 1 62 62 ALA H H 1 7.243 0.006 . 1 . . . . . 60 Ala H . 16775 1 660 . 1 . 1 62 62 ALA HA H 1 4.003 0.006 . 1 . . . . . 60 Ala HA . 16775 1 661 . 1 . 1 62 62 ALA HB1 H 1 1.375 0.001 . 3 . . . . . 60 Ala QB . 16775 1 662 . 1 . 1 62 62 ALA HB2 H 1 1.375 0.001 . 3 . . . . . 60 Ala QB . 16775 1 663 . 1 . 1 62 62 ALA HB3 H 1 1.375 0.001 . 3 . . . . . 60 Ala QB . 16775 1 664 . 1 . 1 62 62 ALA CA C 13 51.665 0.058 . 1 . . . . . 60 Ala CA . 16775 1 665 . 1 . 1 62 62 ALA CB C 13 18.488 0.051 . 1 . . . . . 60 Ala CB . 16775 1 666 . 1 . 1 62 62 ALA N N 15 122.904 0.044 . 1 . . . . . 60 Ala N . 16775 1 667 . 1 . 1 63 63 ALA H H 1 8.148 0.008 . 1 . . . . . 61 Ala H . 16775 1 668 . 1 . 1 63 63 ALA HA H 1 4.408 0.003 . 1 . . . . . 61 Ala HA . 16775 1 669 . 1 . 1 63 63 ALA HB1 H 1 1.481 0.006 . 3 . . . . . 61 Ala QB . 16775 1 670 . 1 . 1 63 63 ALA HB2 H 1 1.481 0.006 . 3 . . . . . 61 Ala QB . 16775 1 671 . 1 . 1 63 63 ALA HB3 H 1 1.481 0.006 . 3 . . . . . 61 Ala QB . 16775 1 672 . 1 . 1 63 63 ALA CA C 13 51.856 0.048 . 1 . . . . . 61 Ala CA . 16775 1 673 . 1 . 1 63 63 ALA CB C 13 18.488 0.055 . 1 . . . . . 61 Ala CB . 16775 1 674 . 1 . 1 63 63 ALA N N 15 124.651 0.054 . 1 . . . . . 61 Ala N . 16775 1 675 . 1 . 1 64 64 THR H H 1 7.748 0.008 . 1 . . . . . 62 Thr H . 16775 1 676 . 1 . 1 64 64 THR HA H 1 4.467 0.005 . 1 . . . . . 62 Thr HA . 16775 1 677 . 1 . 1 64 64 THR HB H 1 4.193 0.006 . 1 . . . . . 62 Thr HB . 16775 1 678 . 1 . 1 64 64 THR HG21 H 1 1.218 0.005 . . . . . . . 62 Thr QG2 . 16775 1 679 . 1 . 1 64 64 THR HG22 H 1 1.218 0.005 . . . . . . . 62 Thr QG2 . 16775 1 680 . 1 . 1 64 64 THR HG23 H 1 1.218 0.005 . . . . . . . 62 Thr QG2 . 16775 1 681 . 1 . 1 64 64 THR CA C 13 59.64 0.077 . 1 . . . . . 62 Thr CA . 16775 1 682 . 1 . 1 64 64 THR CB C 13 68.86 0.055 . 1 . . . . . 62 Thr CB . 16775 1 683 . 1 . 1 64 64 THR CG2 C 13 20.329 0.064 . 1 . . . . . 62 Thr CG2 . 16775 1 684 . 1 . 1 64 64 THR N N 15 112.03 0.068 . 1 . . . . . 62 Thr N . 16775 1 685 . 1 . 1 65 65 LYS HA H 1 4.677 0.004 . 1 . . . . . 63 Lys HA . 16775 1 686 . 1 . 1 65 65 LYS HB2 H 1 2.002 0.002 . 2 . . . . . 63 Lys HB2 . 16775 1 687 . 1 . 1 65 65 LYS HB3 H 1 1.877 0.006 . 2 . . . . . 63 Lys HB3 . 16775 1 688 . 1 . 1 65 65 LYS HD2 H 1 1.736 0.008 . 2 . . . . . 63 Lys QD . 16775 1 689 . 1 . 1 65 65 LYS HD3 H 1 1.736 0.008 . 2 . . . . . 63 Lys QD . 16775 1 690 . 1 . 1 65 65 LYS HE2 H 1 3.054 0.003 . 2 . . . . . 63 Lys QE . 16775 1 691 . 1 . 1 65 65 LYS HE3 H 1 3.054 0.003 . 2 . . . . . 63 Lys QE . 16775 1 692 . 1 . 1 65 65 LYS HG2 H 1 1.508 0.003 . 2 . . . . . 63 Lys QG . 16775 1 693 . 1 . 1 65 65 LYS HG3 H 1 1.508 0.003 . 2 . . . . . 63 Lys QG . 16775 1 694 . 1 . 1 65 65 LYS CA C 13 54.739 0.072 . 1 . . . . . 63 Lys CA . 16775 1 695 . 1 . 1 65 65 LYS CB C 13 31.768 0.054 . 1 . . . . . 63 Lys CB . 16775 1 696 . 1 . 1 65 65 LYS CD C 13 27.765 0.019 . 1 . . . . . 63 Lys CD . 16775 1 697 . 1 . 1 65 65 LYS CE C 13 41.074 0.082 . 1 . . . . . 63 Lys CE . 16775 1 698 . 1 . 1 65 65 LYS CG C 13 23.547 0.068 . 1 . . . . . 63 Lys CG . 16775 1 699 . 1 . 1 65 65 LYS N N 15 122.33 0.055 . 1 . . . . . 63 Lys N . 16775 1 700 . 1 . 1 66 66 ILE H H 1 7.686 0.005 . 1 . . . . . 64 Ile H . 16775 1 701 . 1 . 1 66 66 ILE HA H 1 4.606 0.007 . 1 . . . . . 64 Ile HA . 16775 1 702 . 1 . 1 66 66 ILE HB H 1 2.119 0.007 . 1 . . . . . 64 Ile HB . 16775 1 703 . 1 . 1 66 66 ILE HD11 H 1 0.885 0.009 . 3 . . . . . 64 Ile QD1 . 16775 1 704 . 1 . 1 66 66 ILE HD12 H 1 0.885 0.009 . 3 . . . . . 64 Ile QD1 . 16775 1 705 . 1 . 1 66 66 ILE HD13 H 1 0.885 0.009 . 3 . . . . . 64 Ile QD1 . 16775 1 706 . 1 . 1 66 66 ILE HG12 H 1 1.436 0.005 . 2 . . . . . 64 Ile HG12 . 16775 1 707 . 1 . 1 66 66 ILE HG13 H 1 1.143 0.004 . 2 . . . . . 64 Ile HG13 . 16775 1 708 . 1 . 1 66 66 ILE HG21 H 1 0.916 0.004 . 3 . . . . . 64 Ile QG2 . 16775 1 709 . 1 . 1 66 66 ILE HG22 H 1 0.916 0.004 . 3 . . . . . 64 Ile QG2 . 16775 1 710 . 1 . 1 66 66 ILE HG23 H 1 0.916 0.004 . 3 . . . . . 64 Ile QG2 . 16775 1 711 . 1 . 1 66 66 ILE CA C 13 60.421 0.088 . 1 . . . . . 64 Ile CA . 16775 1 712 . 1 . 1 66 66 ILE CB C 13 37.042 0.075 . 1 . . . . . 64 Ile CB . 16775 1 713 . 1 . 1 66 66 ILE CD1 C 13 12.987 0.056 . 1 . . . . . 64 Ile CD1 . 16775 1 714 . 1 . 1 66 66 ILE CG1 C 13 26.008 0.068 . 1 . . . . . 64 Ile CG1 . 16775 1 715 . 1 . 1 66 66 ILE CG2 C 13 16.391 0.073 . 1 . . . . . 64 Ile CG2 . 16775 1 716 . 1 . 1 66 66 ILE N N 15 118.35 0.042 . 1 . . . . . 64 Ile N . 16775 1 717 . 1 . 1 67 67 ILE H H 1 7.454 0.010 . 1 . . . . . 65 Ile H . 16775 1 718 . 1 . 1 67 67 ILE HA H 1 3.903 0.008 . 1 . . . . . 65 Ile HA . 16775 1 719 . 1 . 1 67 67 ILE HB H 1 1.94 0.001 . 1 . . . . . 65 Ile HB . 16775 1 720 . 1 . 1 67 67 ILE HD11 H 1 0.916 0.002 . 3 . . . . . 65 Ile QD1 . 16775 1 721 . 1 . 1 67 67 ILE HD12 H 1 0.916 0.002 . 3 . . . . . 65 Ile QD1 . 16775 1 722 . 1 . 1 67 67 ILE HD13 H 1 0.916 0.002 . 3 . . . . . 65 Ile QD1 . 16775 1 723 . 1 . 1 67 67 ILE HG12 H 1 1.6 0.004 . 2 . . . . . 65 Ile HG12 . 16775 1 724 . 1 . 1 67 67 ILE HG13 H 1 1.196 0.001 . 2 . . . . . 65 Ile HG13 . 16775 1 725 . 1 . 1 67 67 ILE HG21 H 1 0.957 0.003 . 3 . . . . . 65 Ile QG2 . 16775 1 726 . 1 . 1 67 67 ILE HG22 H 1 0.957 0.003 . 3 . . . . . 65 Ile QG2 . 16775 1 727 . 1 . 1 67 67 ILE HG23 H 1 0.957 0.003 . 3 . . . . . 65 Ile QG2 . 16775 1 728 . 1 . 1 67 67 ILE CA C 13 64.04 0.064 . 1 . . . . . 65 Ile CA . 16775 1 729 . 1 . 1 67 67 ILE CB C 13 37.125 0.047 . 1 . . . . . 65 Ile CB . 16775 1 730 . 1 . 1 67 67 ILE CD1 C 13 13.135 0.043 . 1 . . . . . 65 Ile CD1 . 16775 1 731 . 1 . 1 67 67 ILE CG1 C 13 28.048 0.063 . 1 . . . . . 65 Ile CG1 . 16775 1 732 . 1 . 1 67 67 ILE CG2 C 13 15.551 0.060 . 1 . . . . . 65 Ile CG2 . 16775 1 733 . 1 . 1 67 67 ILE N N 15 122.152 0.052 . 1 . . . . . 65 Ile N . 16775 1 734 . 1 . 1 68 68 ASN H H 1 8.47 0.009 . 1 . . . . . 66 Asn H . 16775 1 735 . 1 . 1 68 68 ASN HA H 1 4.963 0.005 . 1 . . . . . 66 Asn HA . 16775 1 736 . 1 . 1 68 68 ASN HB2 H 1 2.882 0.002 . 2 . . . . . 66 Asn HB2 . 16775 1 737 . 1 . 1 68 68 ASN HB3 H 1 2.829 0.005 . 2 . . . . . 66 Asn HB3 . 16775 1 738 . 1 . 1 68 68 ASN HD21 H 1 7.681 0.000 . 2 . . . . . 66 Asn HD21 . 16775 1 739 . 1 . 1 68 68 ASN HD22 H 1 6.915 0.000 . 2 . . . . . 66 Asn HD22 . 16775 1 740 . 1 . 1 68 68 ASN CA C 13 54.14 0.097 . 1 . . . . . 66 Asn CA . 16775 1 741 . 1 . 1 68 68 ASN CB C 13 37.078 0.073 . 1 . . . . . 66 Asn CB . 16775 1 742 . 1 . 1 68 68 ASN N N 15 120.614 0.056 . 1 . . . . . 66 Asn N . 16775 1 743 . 1 . 1 68 68 ASN ND2 N 15 112.418 0.002 . 1 . . . . . 66 Asn ND2 . 16775 1 744 . 1 . 1 69 69 GLU H H 1 8.168 0.009 . 1 . . . . . 67 Glu H . 16775 1 745 . 1 . 1 69 69 GLU HA H 1 4.263 0.01 . 1 . . . . . 67 Glu HA . 16775 1 746 . 1 . 1 69 69 GLU HG2 H 1 2.362 0.008 . 2 . . . . . 67 Glu HG2 . 16775 1 747 . 1 . 1 69 69 GLU HG3 H 1 2.241 0.011 . 2 . . . . . 67 Glu HG3 . 16775 1 748 . 1 . 1 69 69 GLU CA C 13 55.877 0.062 . 1 . . . . . 67 Glu CA . 16775 1 749 . 1 . 1 69 69 GLU CB C 13 27.707 0.076 . 1 . . . . . 67 Glu CB . 16775 1 750 . 1 . 1 69 69 GLU CG C 13 34.963 0.072 . 1 . . . . . 67 Glu CG . 16775 1 751 . 1 . 1 69 69 GLU N N 15 117.277 0.043 . 1 . . . . . 67 Glu N . 16775 1 752 . 1 . 1 70 70 VAL H H 1 7.771 0.006 . 1 . . . . . 68 Val H . 16775 1 753 . 1 . 1 70 70 VAL HA H 1 4.08 0.003 . 1 . . . . . 68 Val HA . 16775 1 754 . 1 . 1 70 70 VAL HB H 1 2.204 0.003 . 1 . . . . . 68 Val HB . 16775 1 755 . 1 . 1 70 70 VAL HG11 H 1 0.997 0.007 . 3 . . . . . 68 Val QG1 . 16775 1 756 . 1 . 1 70 70 VAL HG12 H 1 0.997 0.007 . 3 . . . . . 68 Val QG1 . 16775 1 757 . 1 . 1 70 70 VAL HG13 H 1 0.997 0.007 . 3 . . . . . 68 Val QG1 . 16775 1 758 . 1 . 1 70 70 VAL HG21 H 1 0.962 0.003 . 3 . . . . . 68 Val QG2 . 16775 1 759 . 1 . 1 70 70 VAL HG22 H 1 0.962 0.003 . 3 . . . . . 68 Val QG2 . 16775 1 760 . 1 . 1 70 70 VAL HG23 H 1 0.962 0.003 . 3 . . . . . 68 Val QG2 . 16775 1 761 . 1 . 1 70 70 VAL CA C 13 62.57 0.066 . 1 . . . . . 68 Val CA . 16775 1 762 . 1 . 1 70 70 VAL CB C 13 32.162 0.053 . 1 . . . . . 68 Val CB . 16775 1 763 . 1 . 1 70 70 VAL CG1 C 13 21.42 0.108 . 2 . . . . . 68 Val CG1 . 16775 1 764 . 1 . 1 70 70 VAL CG2 C 13 21.103 0.062 . 2 . . . . . 68 Val CG2 . 16775 1 765 . 1 . 1 70 70 VAL N N 15 114.701 0.051 . 1 . . . . . 68 Val N . 16775 1 766 . 1 . 1 71 71 SER H H 1 8.677 0.007 . 1 . . . . . 69 Ser H . 16775 1 767 . 1 . 1 71 71 SER HA H 1 3.957 0.008 . 1 . . . . . 69 Ser HA . 16775 1 768 . 1 . 1 71 71 SER HB2 H 1 4.262 0.002 . 2 . . . . . 69 Ser HB2 . 16775 1 769 . 1 . 1 71 71 SER HB3 H 1 3.713 0.006 . 2 . . . . . 69 Ser HB3 . 16775 1 770 . 1 . 1 71 71 SER CA C 13 60.688 0.090 . 1 . . . . . 69 Ser CA . 16775 1 771 . 1 . 1 71 71 SER CB C 13 61.52 0.070 . 1 . . . . . 69 Ser CB . 16775 1 772 . 1 . 1 71 71 SER N N 15 115.731 0.058 . 1 . . . . . 69 Ser N . 16775 1 773 . 1 . 1 72 72 LYS H H 1 7.528 0.009 . 1 . . . . . 70 Lys H . 16775 1 774 . 1 . 1 72 72 LYS HA H 1 4.254 0.006 . 1 . . . . . 70 Lys HA . 16775 1 775 . 1 . 1 72 72 LYS HB2 H 1 2.101 0.003 . 2 . . . . . 70 Lys HB2 . 16775 1 776 . 1 . 1 72 72 LYS HB3 H 1 1.992 0.005 . 2 . . . . . 70 Lys HB3 . 16775 1 777 . 1 . 1 72 72 LYS HE2 H 1 2.998 0.000 . 2 . . . . . 70 Lys QE . 16775 1 778 . 1 . 1 72 72 LYS HE3 H 1 2.998 0.000 . 2 . . . . . 70 Lys QE . 16775 1 779 . 1 . 1 72 72 LYS HG2 H 1 1.674 0.004 . 2 . . . . . 70 Lys HG2 . 16775 1 780 . 1 . 1 72 72 LYS HG3 H 1 1.388 0.001 . 2 . . . . . 70 Lys HG3 . 16775 1 781 . 1 . 1 72 72 LYS CA C 13 60.567 0.042 . 1 . . . . . 70 Lys CA . 16775 1 782 . 1 . 1 72 72 LYS CB C 13 28.089 0.061 . 1 . . . . . 70 Lys CB . 16775 1 783 . 1 . 1 72 72 LYS CE C 13 40.58 0.021 . 1 . . . . . 70 Lys CE . 16775 1 784 . 1 . 1 72 72 LYS CG C 13 25.016 0.065 . 1 . . . . . 70 Lys CG . 16775 1 785 . 1 . 1 72 72 LYS N N 15 120.178 0.064 . 1 . . . . . 70 Lys N . 16775 1 786 . 1 . 1 73 73 PRO HA H 1 4.484 0.004 . 1 . . . . . 71 Pro HA . 16775 1 787 . 1 . 1 73 73 PRO HB2 H 1 2.215 0.007 . 2 . . . . . 71 Pro HB2 . 16775 1 788 . 1 . 1 73 73 PRO HB3 H 1 1.635 0.003 . 2 . . . . . 71 Pro HB3 . 16775 1 789 . 1 . 1 73 73 PRO HD2 H 1 3.526 0.003 . 2 . . . . . 71 Pro QD . 16775 1 790 . 1 . 1 73 73 PRO HD3 H 1 3.526 0.003 . 2 . . . . . 71 Pro QD . 16775 1 791 . 1 . 1 73 73 PRO HG2 H 1 2.228 0.004 . 2 . . . . . 71 Pro HG2 . 16775 1 792 . 1 . 1 73 73 PRO HG3 H 1 2.053 0.003 . 2 . . . . . 71 Pro HG3 . 16775 1 793 . 1 . 1 73 73 PRO CA C 13 64.549 0.047 . 1 . . . . . 71 Pro CA . 16775 1 794 . 1 . 1 73 73 PRO CB C 13 29.09 0.060 . 1 . . . . . 71 Pro CB . 16775 1 795 . 1 . 1 73 73 PRO CD C 13 48.62 0.049 . 1 . . . . . 71 Pro CD . 16775 1 796 . 1 . 1 73 73 PRO CG C 13 27.2 0.040 . 1 . . . . . 71 Pro CG . 16775 1 797 . 1 . 1 73 73 PRO N N 15 134.098 0.359 . 1 . . . . . 71 Pro N . 16775 1 798 . 1 . 1 74 74 LEU H H 1 7.684 0.008 . 1 . . . . . 72 Leu H . 16775 1 799 . 1 . 1 74 74 LEU HA H 1 4.113 0.007 . 1 . . . . . 72 Leu HA . 16775 1 800 . 1 . 1 74 74 LEU HB2 H 1 1.995 0.003 . 2 . . . . . 72 Leu HB2 . 16775 1 801 . 1 . 1 74 74 LEU HB3 H 1 1.454 0.005 . 2 . . . . . 72 Leu HB3 . 16775 1 802 . 1 . 1 74 74 LEU HD11 H 1 0.902 0.003 . 3 . . . . . 72 Leu QD1 . 16775 1 803 . 1 . 1 74 74 LEU HD12 H 1 0.902 0.003 . 3 . . . . . 72 Leu QD1 . 16775 1 804 . 1 . 1 74 74 LEU HD13 H 1 0.902 0.003 . 3 . . . . . 72 Leu QD1 . 16775 1 805 . 1 . 1 74 74 LEU HD21 H 1 0.869 0.005 . 3 . . . . . 72 Leu QD2 . 16775 1 806 . 1 . 1 74 74 LEU HD22 H 1 0.869 0.005 . 3 . . . . . 72 Leu QD2 . 16775 1 807 . 1 . 1 74 74 LEU HD23 H 1 0.869 0.005 . 3 . . . . . 72 Leu QD2 . 16775 1 808 . 1 . 1 74 74 LEU HG H 1 1.985 0.000 . 1 . . . . . 72 Leu HG . 16775 1 809 . 1 . 1 74 74 LEU CA C 13 57.214 0.073 . 1 . . . . . 72 Leu CA . 16775 1 810 . 1 . 1 74 74 LEU CB C 13 41.308 0.048 . 1 . . . . . 72 Leu CB . 16775 1 811 . 1 . 1 74 74 LEU CD1 C 13 25.267 0.071 . 2 . . . . . 72 Leu CD1 . 16775 1 812 . 1 . 1 74 74 LEU CD2 C 13 23.72 0.065 . 2 . . . . . 72 Leu CD2 . 16775 1 813 . 1 . 1 74 74 LEU CG C 13 25.558 0.133 . 1 . . . . . 72 Leu CG . 16775 1 814 . 1 . 1 74 74 LEU N N 15 119.103 0.039 . 1 . . . . . 72 Leu N . 16775 1 815 . 1 . 1 75 75 ALA H H 1 7.751 0.008 . 1 . . . . . 73 Ala H . 16775 1 816 . 1 . 1 75 75 ALA HA H 1 3.988 0.004 . 1 . . . . . 73 Ala HA . 16775 1 817 . 1 . 1 75 75 ALA HB1 H 1 1.353 0.005 . 3 . . . . . 73 Ala QB . 16775 1 818 . 1 . 1 75 75 ALA HB2 H 1 1.353 0.005 . 3 . . . . . 73 Ala QB . 16775 1 819 . 1 . 1 75 75 ALA HB3 H 1 1.353 0.005 . 3 . . . . . 73 Ala QB . 16775 1 820 . 1 . 1 75 75 ALA CA C 13 53.245 0.070 . 1 . . . . . 73 Ala CA . 16775 1 821 . 1 . 1 75 75 ALA CB C 13 16.363 0.086 . 1 . . . . . 73 Ala CB . 16775 1 822 . 1 . 1 75 75 ALA N N 15 119.142 0.043 . 1 . . . . . 73 Ala N . 16775 1 823 . 1 . 1 76 76 HIS H H 1 7.275 0.005 . 1 . . . . . 74 His H . 16775 1 824 . 1 . 1 76 76 HIS HA H 1 4.722 0.002 . 1 . . . . . 74 His HA . 16775 1 825 . 1 . 1 76 76 HIS HB2 H 1 3.586 0.006 . 2 . . . . . 74 His HB2 . 16775 1 826 . 1 . 1 76 76 HIS HB3 H 1 2.956 0.011 . 2 . . . . . 74 His HB3 . 16775 1 827 . 1 . 1 76 76 HIS HD2 H 1 7.14 0.007 . 1 . . . . . 74 His HD2 . 16775 1 828 . 1 . 1 76 76 HIS HE1 H 1 7.892 0.000 . 1 . . . . . 74 His HE1 . 16775 1 829 . 1 . 1 76 76 HIS CA C 13 54.114 0.068 . 1 . . . . . 74 His CA . 16775 1 830 . 1 . 1 76 76 HIS CB C 13 28.941 0.079 . 1 . . . . . 74 His CB . 16775 1 831 . 1 . 1 76 76 HIS CD2 C 13 120.71 0.000 . 1 . . . . . 74 His CD2 . 16775 1 832 . 1 . 1 76 76 HIS CE1 C 13 137.082 0.000 . 1 . . . . . 74 His CE1 . 16775 1 833 . 1 . 1 76 76 HIS N N 15 113.619 0.041 . 1 . . . . . 74 His N . 16775 1 834 . 1 . 1 77 77 HIS H H 1 8.029 0.004 . 1 . . . . . 75 His H . 16775 1 835 . 1 . 1 77 77 HIS HA H 1 3.925 0.014 . 1 . . . . . 75 His HA . 16775 1 836 . 1 . 1 77 77 HIS HB2 H 1 3.347 0.006 . 2 . . . . . 75 His HB2 . 16775 1 837 . 1 . 1 77 77 HIS HB3 H 1 3.23 0.002 . 2 . . . . . 75 His HB3 . 16775 1 838 . 1 . 1 77 77 HIS HD2 H 1 6.888 0.090 . 1 . . . . . 75 His HD2 . 16775 1 839 . 1 . 1 77 77 HIS HE1 H 1 6.403 0.000 . 1 . . . . . 75 His HE1 . 16775 1 840 . 1 . 1 77 77 HIS CA C 13 56.815 0.108 . 1 . . . . . 75 His CA . 16775 1 841 . 1 . 1 77 77 HIS CB C 13 25.682 0.053 . 1 . . . . . 75 His CB . 16775 1 842 . 1 . 1 77 77 HIS CD2 C 13 119.42 0.000 . 1 . . . . . 75 His CD2 . 16775 1 843 . 1 . 1 77 77 HIS CE1 C 13 135.909 0.000 . 1 . . . . . 75 His CE1 . 16775 1 844 . 1 . 1 77 77 HIS N N 15 114.5 0.040 . 1 . . . . . 75 His N . 16775 1 845 . 1 . 1 78 78 ILE H H 1 7.646 0.007 . 1 . . . . . 76 Ile H . 16775 1 846 . 1 . 1 78 78 ILE HA H 1 4.28 0.005 . 1 . . . . . 76 Ile HA . 16775 1 847 . 1 . 1 78 78 ILE HB H 1 1.626 0.003 . 1 . . . . . 76 Ile HB . 16775 1 848 . 1 . 1 78 78 ILE HD11 H 1 0.892 0.004 . 3 . . . . . 76 Ile QD1 . 16775 1 849 . 1 . 1 78 78 ILE HD12 H 1 0.892 0.004 . 3 . . . . . 76 Ile QD1 . 16775 1 850 . 1 . 1 78 78 ILE HD13 H 1 0.892 0.004 . 3 . . . . . 76 Ile QD1 . 16775 1 851 . 1 . 1 78 78 ILE HG12 H 1 1.602 0.004 . 2 . . . . . 76 Ile HG12 . 16775 1 852 . 1 . 1 78 78 ILE HG13 H 1 1.526 0.001 . 2 . . . . . 76 Ile HG13 . 16775 1 853 . 1 . 1 78 78 ILE HG21 H 1 1.038 0.002 . 3 . . . . . 76 Ile QG2 . 16775 1 854 . 1 . 1 78 78 ILE HG22 H 1 1.038 0.002 . 3 . . . . . 76 Ile QG2 . 16775 1 855 . 1 . 1 78 78 ILE HG23 H 1 1.038 0.002 . 3 . . . . . 76 Ile QG2 . 16775 1 856 . 1 . 1 78 78 ILE CA C 13 56.968 0.055 . 1 . . . . . 76 Ile CA . 16775 1 857 . 1 . 1 78 78 ILE CB C 13 35.911 0.027 . 1 . . . . . 76 Ile CB . 16775 1 858 . 1 . 1 78 78 ILE CD1 C 13 9.042 0.050 . 1 . . . . . 76 Ile CD1 . 16775 1 859 . 1 . 1 78 78 ILE CG1 C 13 26.716 0.056 . 1 . . . . . 76 Ile CG1 . 16775 1 860 . 1 . 1 78 78 ILE CG2 C 13 15.003 0.062 . 1 . . . . . 76 Ile CG2 . 16775 1 861 . 1 . 1 78 78 ILE N N 15 122.693 0.064 . 1 . . . . . 76 Ile N . 16775 1 862 . 1 . 1 79 79 PRO HA H 1 4.335 0.003 . 1 . . . . . 77 Pro HA . 16775 1 863 . 1 . 1 79 79 PRO HB2 H 1 2.605 0.002 . 2 . . . . . 77 Pro HB2 . 16775 1 864 . 1 . 1 79 79 PRO HB3 H 1 1.905 0.006 . 2 . . . . . 77 Pro HB3 . 16775 1 865 . 1 . 1 79 79 PRO HD2 H 1 4.083 0.003 . 2 . . . . . 77 Pro HD2 . 16775 1 866 . 1 . 1 79 79 PRO HD3 H 1 3.631 0.005 . 2 . . . . . 77 Pro HD3 . 16775 1 867 . 1 . 1 79 79 PRO HG2 H 1 2.14 0.003 . 2 . . . . . 77 Pro QG . 16775 1 868 . 1 . 1 79 79 PRO HG3 H 1 2.14 0.003 . 2 . . . . . 77 Pro QG . 16775 1 869 . 1 . 1 79 79 PRO CA C 13 61.762 0.041 . 1 . . . . . 77 Pro CA . 16775 1 870 . 1 . 1 79 79 PRO CB C 13 31.926 0.036 . 1 . . . . . 77 Pro CB . 16775 1 871 . 1 . 1 79 79 PRO CD C 13 50.133 0.057 . 1 . . . . . 77 Pro CD . 16775 1 872 . 1 . 1 79 79 PRO CG C 13 26.767 0.058 . 1 . . . . . 77 Pro CG . 16775 1 873 . 1 . 1 79 79 PRO N N 15 138.6 0.316 . 1 . . . . . 77 Pro N . 16775 1 874 . 1 . 1 80 80 VAL H H 1 8.484 0.011 . 1 . . . . . 78 Val H . 16775 1 875 . 1 . 1 80 80 VAL HA H 1 3.687 0.003 . 1 . . . . . 78 Val HA . 16775 1 876 . 1 . 1 80 80 VAL HB H 1 2.195 0.002 . 1 . . . . . 78 Val HB . 16775 1 877 . 1 . 1 80 80 VAL HG11 H 1 1.059 0.009 . 3 . . . . . 78 Val QG1 . 16775 1 878 . 1 . 1 80 80 VAL HG12 H 1 1.059 0.009 . 3 . . . . . 78 Val QG1 . 16775 1 879 . 1 . 1 80 80 VAL HG13 H 1 1.059 0.009 . 3 . . . . . 78 Val QG1 . 16775 1 880 . 1 . 1 80 80 VAL HG21 H 1 1.082 0.002 . 3 . . . . . 78 Val QG2 . 16775 1 881 . 1 . 1 80 80 VAL HG22 H 1 1.082 0.002 . 3 . . . . . 78 Val QG2 . 16775 1 882 . 1 . 1 80 80 VAL HG23 H 1 1.082 0.002 . 3 . . . . . 78 Val QG2 . 16775 1 883 . 1 . 1 80 80 VAL CA C 13 65.111 0.056 . 1 . . . . . 78 Val CA . 16775 1 884 . 1 . 1 80 80 VAL CB C 13 30.178 0.032 . 1 . . . . . 78 Val CB . 16775 1 885 . 1 . 1 80 80 VAL CG1 C 13 21.571 0.065 . 2 . . . . . 78 Val CG1 . 16775 1 886 . 1 . 1 80 80 VAL CG2 C 13 19.633 0.071 . 2 . . . . . 78 Val CG2 . 16775 1 887 . 1 . 1 80 80 VAL N N 15 120.679 0.061 . 1 . . . . . 78 Val N . 16775 1 888 . 1 . 1 81 81 GLU H H 1 9.827 0.004 . 1 . . . . . 79 Glu H . 16775 1 889 . 1 . 1 81 81 GLU HA H 1 3.837 0.004 . 1 . . . . . 79 Glu HA . 16775 1 890 . 1 . 1 81 81 GLU HB2 H 1 2.076 0.003 . 2 . . . . . 79 Glu HB2 . 16775 1 891 . 1 . 1 81 81 GLU HB3 H 1 2.041 0.000 . 2 . . . . . 79 Glu HB3 . 16775 1 892 . 1 . 1 81 81 GLU HG2 H 1 2.433 0.004 . 2 . . . . . 79 Glu HG2 . 16775 1 893 . 1 . 1 81 81 GLU HG3 H 1 2.31 0.003 . 2 . . . . . 79 Glu HG3 . 16775 1 894 . 1 . 1 81 81 GLU CA C 13 59.912 0.057 . 1 . . . . . 79 Glu CA . 16775 1 895 . 1 . 1 81 81 GLU CB C 13 27.527 0.044 . 1 . . . . . 79 Glu CB . 16775 1 896 . 1 . 1 81 81 GLU CG C 13 35.453 0.037 . 1 . . . . . 79 Glu CG . 16775 1 897 . 1 . 1 81 81 GLU N N 15 120.623 0.048 . 1 . . . . . 79 Glu N . 16775 1 898 . 1 . 1 82 82 LYS H H 1 7.155 0.001 . 1 . . . . . 80 Lys H . 16775 1 899 . 1 . 1 82 82 LYS HA H 1 4.248 0.003 . 1 . . . . . 80 Lys HA . 16775 1 900 . 1 . 1 82 82 LYS HB2 H 1 2.042 0.000 . 2 . . . . . 80 Lys HB2 . 16775 1 901 . 1 . 1 82 82 LYS HB3 H 1 1.887 0.000 . 2 . . . . . 80 Lys HB3 . 16775 1 902 . 1 . 1 82 82 LYS HD2 H 1 1.76 0.001 . 2 . . . . . 80 Lys HD2 . 16775 1 903 . 1 . 1 82 82 LYS HD3 H 1 1.702 0.005 . 2 . . . . . 80 Lys HD3 . 16775 1 904 . 1 . 1 82 82 LYS HE2 H 1 3.038 0.014 . 2 . . . . . 80 Lys QE . 16775 1 905 . 1 . 1 82 82 LYS HE3 H 1 3.038 0.014 . 2 . . . . . 80 Lys QE . 16775 1 906 . 1 . 1 82 82 LYS HG2 H 1 1.558 0.006 . 2 . . . . . 80 Lys HG2 . 16775 1 907 . 1 . 1 82 82 LYS HG3 H 1 1.495 0.005 . 2 . . . . . 80 Lys HG3 . 16775 1 908 . 1 . 1 82 82 LYS CA C 13 56.488 0.060 . 1 . . . . . 80 Lys CA . 16775 1 909 . 1 . 1 82 82 LYS CB C 13 30.382 0.106 . 1 . . . . . 80 Lys CB . 16775 1 910 . 1 . 1 82 82 LYS CD C 13 27.094 0.041 . 1 . . . . . 80 Lys CD . 16775 1 911 . 1 . 1 82 82 LYS CE C 13 40.653 0.126 . 1 . . . . . 80 Lys CE . 16775 1 912 . 1 . 1 82 82 LYS CG C 13 23.83 0.067 . 1 . . . . . 80 Lys CG . 16775 1 913 . 1 . 1 82 82 LYS N N 15 117.499 0.046 . 1 . . . . . 80 Lys N . 16775 1 914 . 1 . 1 83 83 ILE H H 1 7.678 0.006 . 1 . . . . . 81 Ile H . 16775 1 915 . 1 . 1 83 83 ILE HA H 1 3.641 0.005 . 1 . . . . . 81 Ile HA . 16775 1 916 . 1 . 1 83 83 ILE HB H 1 2.019 0.007 . 1 . . . . . 81 Ile HB . 16775 1 917 . 1 . 1 83 83 ILE HD11 H 1 0.879 0.002 . 3 . . . . . 81 Ile QD1 . 16775 1 918 . 1 . 1 83 83 ILE HD12 H 1 0.879 0.002 . 3 . . . . . 81 Ile QD1 . 16775 1 919 . 1 . 1 83 83 ILE HD13 H 1 0.879 0.002 . 3 . . . . . 81 Ile QD1 . 16775 1 920 . 1 . 1 83 83 ILE HG12 H 1 1.821 0.002 . 2 . . . . . 81 Ile HG12 . 16775 1 921 . 1 . 1 83 83 ILE HG13 H 1 0.764 0.005 . 2 . . . . . 81 Ile HG13 . 16775 1 922 . 1 . 1 83 83 ILE HG21 H 1 0.962 0.005 . 3 . . . . . 81 Ile QG2 . 16775 1 923 . 1 . 1 83 83 ILE HG22 H 1 0.962 0.005 . 3 . . . . . 81 Ile QG2 . 16775 1 924 . 1 . 1 83 83 ILE HG23 H 1 0.962 0.005 . 3 . . . . . 81 Ile QG2 . 16775 1 925 . 1 . 1 83 83 ILE CA C 13 64.798 0.074 . 1 . . . . . 81 Ile CA . 16775 1 926 . 1 . 1 83 83 ILE CB C 13 36.993 0.052 . 1 . . . . . 81 Ile CB . 16775 1 927 . 1 . 1 83 83 ILE CD1 C 13 13.459 0.043 . 1 . . . . . 81 Ile CD1 . 16775 1 928 . 1 . 1 83 83 ILE CG1 C 13 27.279 0.077 . 1 . . . . . 81 Ile CG1 . 16775 1 929 . 1 . 1 83 83 ILE CG2 C 13 15.563 0.036 . 1 . . . . . 81 Ile CG2 . 16775 1 930 . 1 . 1 83 83 ILE N N 15 121.933 0.059 . 1 . . . . . 81 Ile N . 16775 1 931 . 1 . 1 84 84 CYS H H 1 8.707 0.007 . 1 . . . . . 82 Cys H . 16775 1 932 . 1 . 1 84 84 CYS HA H 1 4.164 0.005 . 1 . . . . . 82 Cys HA . 16775 1 933 . 1 . 1 84 84 CYS CA C 13 59.846 0.056 . 1 . . . . . 82 Cys CA . 16775 1 934 . 1 . 1 84 84 CYS CB C 13 41.083 0.015 . 1 . . . . . 82 Cys CB . 16775 1 935 . 1 . 1 84 84 CYS N N 15 117.03 0.060 . 1 . . . . . 82 Cys N . 16775 1 936 . 1 . 1 85 85 GLU HA H 1 3.909 0.005 . 1 . . . . . 83 Glu HA . 16775 1 937 . 1 . 1 85 85 GLU HB2 H 1 2.217 0.002 . 2 . . . . . 83 Glu QB . 16775 1 938 . 1 . 1 85 85 GLU HB3 H 1 2.217 0.002 . 2 . . . . . 83 Glu QB . 16775 1 939 . 1 . 1 85 85 GLU HG2 H 1 2.354 0.004 . 2 . . . . . 83 Glu HG2 . 16775 1 940 . 1 . 1 85 85 GLU HG3 H 1 2.219 0.006 . 2 . . . . . 83 Glu HG3 . 16775 1 941 . 1 . 1 85 85 GLU CA C 13 58.927 0.052 . 1 . . . . . 83 Glu CA . 16775 1 942 . 1 . 1 85 85 GLU CB C 13 28.58 0.076 . 1 . . . . . 83 Glu CB . 16775 1 943 . 1 . 1 85 85 GLU CG C 13 35.138 0.035 . 1 . . . . . 83 Glu CG . 16775 1 944 . 1 . 1 85 85 GLU N N 15 119.141 0.000 . 1 . . . . . 83 Glu N . 16775 1 945 . 1 . 1 86 86 LYS H H 1 7.603 0.004 . 1 . . . . . 84 Lys H . 16775 1 946 . 1 . 1 86 86 LYS HA H 1 4.111 0.005 . 1 . . . . . 84 Lys HA . 16775 1 947 . 1 . 1 86 86 LYS HB2 H 1 2.069 0.005 . 2 . . . . . 84 Lys HB2 . 16775 1 948 . 1 . 1 86 86 LYS HB3 H 1 1.761 0.000 . 2 . . . . . 84 Lys HB3 . 16775 1 949 . 1 . 1 86 86 LYS HD2 H 1 1.758 0.005 . 2 . . . . . 84 Lys HD2 . 16775 1 950 . 1 . 1 86 86 LYS HD3 H 1 1.485 0.004 . 2 . . . . . 84 Lys HD3 . 16775 1 951 . 1 . 1 86 86 LYS HE2 H 1 3.027 0.016 . 2 . . . . . 84 Lys QE . 16775 1 952 . 1 . 1 86 86 LYS HE3 H 1 3.027 0.016 . 2 . . . . . 84 Lys QE . 16775 1 953 . 1 . 1 86 86 LYS HG2 H 1 1.533 0.013 . 2 . . . . . 84 Lys QG . 16775 1 954 . 1 . 1 86 86 LYS HG3 H 1 1.533 0.013 . 2 . . . . . 84 Lys QG . 16775 1 955 . 1 . 1 86 86 LYS CA C 13 58.033 0.070 . 1 . . . . . 84 Lys CA . 16775 1 956 . 1 . 1 86 86 LYS CB C 13 30.564 0.099 . 1 . . . . . 84 Lys CB . 16775 1 957 . 1 . 1 86 86 LYS CD C 13 27.68 0.037 . 1 . . . . . 84 Lys CD . 16775 1 958 . 1 . 1 86 86 LYS CE C 13 40.512 0.042 . 1 . . . . . 84 Lys CE . 16775 1 959 . 1 . 1 86 86 LYS CG C 13 23.977 0.084 . 1 . . . . . 84 Lys CG . 16775 1 960 . 1 . 1 86 86 LYS N N 15 119.324 0.045 . 1 . . . . . 84 Lys N . 16775 1 961 . 1 . 1 87 87 LEU H H 1 8.424 0.006 . 1 . . . . . 85 Leu H . 16775 1 962 . 1 . 1 87 87 LEU HA H 1 3.953 0.007 . 1 . . . . . 85 Leu HA . 16775 1 963 . 1 . 1 87 87 LEU HB2 H 1 2.178 0.006 . 2 . . . . . 85 Leu HB2 . 16775 1 964 . 1 . 1 87 87 LEU HB3 H 1 1.51 0.011 . 2 . . . . . 85 Leu HB3 . 16775 1 965 . 1 . 1 87 87 LEU HD11 H 1 0.846 0.022 . 3 . . . . . 85 Leu QD1 . 16775 1 966 . 1 . 1 87 87 LEU HD12 H 1 0.846 0.022 . 3 . . . . . 85 Leu QD1 . 16775 1 967 . 1 . 1 87 87 LEU HD13 H 1 0.846 0.022 . 3 . . . . . 85 Leu QD1 . 16775 1 968 . 1 . 1 87 87 LEU HD21 H 1 0.774 0.008 . 3 . . . . . 85 Leu QD2 . 16775 1 969 . 1 . 1 87 87 LEU HD22 H 1 0.774 0.008 . 3 . . . . . 85 Leu QD2 . 16775 1 970 . 1 . 1 87 87 LEU HD23 H 1 0.774 0.008 . 3 . . . . . 85 Leu QD2 . 16775 1 971 . 1 . 1 87 87 LEU HG H 1 2.015 0.000 . 1 . . . . . 85 Leu HG . 16775 1 972 . 1 . 1 87 87 LEU CA C 13 56.485 0.057 . 1 . . . . . 85 Leu CA . 16775 1 973 . 1 . 1 87 87 LEU CB C 13 40.006 0.088 . 1 . . . . . 85 Leu CB . 16775 1 974 . 1 . 1 87 87 LEU CD1 C 13 24.753 0.069 . 2 . . . . . 85 Leu CD1 . 16775 1 975 . 1 . 1 87 87 LEU CD2 C 13 20.973 0.085 . 2 . . . . . 85 Leu CD2 . 16775 1 976 . 1 . 1 87 87 LEU CG C 13 25.054 0.000 . 1 . . . . . 85 Leu CG . 16775 1 977 . 1 . 1 87 87 LEU N N 15 120.427 0.055 . 1 . . . . . 85 Leu N . 16775 1 978 . 1 . 1 88 88 LYS H H 1 7.99 0.006 . 1 . . . . . 86 Lys H . 16775 1 979 . 1 . 1 88 88 LYS HA H 1 3.865 0.004 . 1 . . . . . 86 Lys HA . 16775 1 980 . 1 . 1 88 88 LYS HB2 H 1 2.315 0.003 . 2 . . . . . 86 Lys HB2 . 16775 1 981 . 1 . 1 88 88 LYS HB3 H 1 2.049 0.006 . 2 . . . . . 86 Lys HB3 . 16775 1 982 . 1 . 1 88 88 LYS HD2 H 1 1.73 0.002 . 2 . . . . . 86 Lys QD . 16775 1 983 . 1 . 1 88 88 LYS HD3 H 1 1.73 0.002 . 2 . . . . . 86 Lys QD . 16775 1 984 . 1 . 1 88 88 LYS HE2 H 1 3.04 0.008 . 2 . . . . . 86 Lys QE . 16775 1 985 . 1 . 1 88 88 LYS HE3 H 1 3.04 0.008 . 2 . . . . . 86 Lys QE . 16775 1 986 . 1 . 1 88 88 LYS HG2 H 1 1.495 0.000 . 2 . . . . . 86 Lys QG . 16775 1 987 . 1 . 1 88 88 LYS HG3 H 1 1.495 0.000 . 2 . . . . . 86 Lys QG . 16775 1 988 . 1 . 1 88 88 LYS CA C 13 57.723 0.071 . 1 . . . . . 86 Lys CA . 16775 1 989 . 1 . 1 88 88 LYS CB C 13 31.44 0.090 . 1 . . . . . 86 Lys CB . 16775 1 990 . 1 . 1 88 88 LYS CD C 13 28.682 0.041 . 1 . . . . . 86 Lys CD . 16775 1 991 . 1 . 1 88 88 LYS CE C 13 40.719 0.081 . 1 . . . . . 86 Lys CE . 16775 1 992 . 1 . 1 88 88 LYS CG C 13 24.353 0.057 . 1 . . . . . 86 Lys CG . 16775 1 993 . 1 . 1 88 88 LYS N N 15 119.38 0.035 . 1 . . . . . 86 Lys N . 16775 1 994 . 1 . 1 89 89 LYS H H 1 7.056 0.003 . 1 . . . . . 87 Lys H . 16775 1 995 . 1 . 1 89 89 LYS HA H 1 4.088 0.005 . 1 . . . . . 87 Lys HA . 16775 1 996 . 1 . 1 89 89 LYS HB2 H 1 1.966 0.003 . 2 . . . . . 87 Lys QB . 16775 1 997 . 1 . 1 89 89 LYS HB3 H 1 1.966 0.003 . 2 . . . . . 87 Lys QB . 16775 1 998 . 1 . 1 89 89 LYS HD2 H 1 1.75 0.000 . 2 . . . . . 87 Lys QD . 16775 1 999 . 1 . 1 89 89 LYS HD3 H 1 1.75 0.000 . 2 . . . . . 87 Lys QD . 16775 1 1000 . 1 . 1 89 89 LYS HE2 H 1 3.056 0.000 . 2 . . . . . 87 Lys QE . 16775 1 1001 . 1 . 1 89 89 LYS HE3 H 1 3.056 0.000 . 2 . . . . . 87 Lys QE . 16775 1 1002 . 1 . 1 89 89 LYS HG2 H 1 1.547 0.006 . 2 . . . . . 87 Lys QG . 16775 1 1003 . 1 . 1 89 89 LYS HG3 H 1 1.547 0.006 . 2 . . . . . 87 Lys QG . 16775 1 1004 . 1 . 1 89 89 LYS CA C 13 56.433 0.059 . 1 . . . . . 87 Lys CA . 16775 1 1005 . 1 . 1 89 89 LYS CB C 13 31.232 0.044 . 1 . . . . . 87 Lys CB . 16775 1 1006 . 1 . 1 89 89 LYS CD C 13 27.726 0.025 . 1 . . . . . 87 Lys CD . 16775 1 1007 . 1 . 1 89 89 LYS CE C 13 40.784 0.132 . 1 . . . . . 87 Lys CE . 16775 1 1008 . 1 . 1 89 89 LYS CG C 13 24.097 0.056 . 1 . . . . . 87 Lys CG . 16775 1 1009 . 1 . 1 89 89 LYS N N 15 113.949 0.043 . 1 . . . . . 87 Lys N . 16775 1 1010 . 1 . 1 90 90 LYS H H 1 7.434 0.003 . 1 . . . . . 88 Lys H . 16775 1 1011 . 1 . 1 90 90 LYS HA H 1 4.308 0.003 . 1 . . . . . 88 Lys HA . 16775 1 1012 . 1 . 1 90 90 LYS HB2 H 1 1.985 0.004 . 2 . . . . . 88 Lys HB2 . 16775 1 1013 . 1 . 1 90 90 LYS HB3 H 1 1.888 0.087 . 2 . . . . . 88 Lys HB3 . 16775 1 1014 . 1 . 1 90 90 LYS HD2 H 1 1.704 0.003 . 2 . . . . . 88 Lys QD . 16775 1 1015 . 1 . 1 90 90 LYS HD3 H 1 1.704 0.003 . 2 . . . . . 88 Lys QD . 16775 1 1016 . 1 . 1 90 90 LYS HE2 H 1 2.957 0.016 . 2 . . . . . 88 Lys QE . 16775 1 1017 . 1 . 1 90 90 LYS HE3 H 1 2.957 0.016 . 2 . . . . . 88 Lys QE . 16775 1 1018 . 1 . 1 90 90 LYS HG2 H 1 1.589 0.004 . 2 . . . . . 88 Lys HG2 . 16775 1 1019 . 1 . 1 90 90 LYS HG3 H 1 1.465 0.003 . 2 . . . . . 88 Lys HG3 . 16775 1 1020 . 1 . 1 90 90 LYS CA C 13 55.423 0.078 . 1 . . . . . 88 Lys CA . 16775 1 1021 . 1 . 1 90 90 LYS CB C 13 31.125 0.056 . 1 . . . . . 88 Lys CB . 16775 1 1022 . 1 . 1 90 90 LYS CD C 13 26.705 0.059 . 1 . . . . . 88 Lys CD . 16775 1 1023 . 1 . 1 90 90 LYS CE C 13 40.628 0.069 . 1 . . . . . 88 Lys CE . 16775 1 1024 . 1 . 1 90 90 LYS CG C 13 23.252 0.060 . 1 . . . . . 88 Lys CG . 16775 1 1025 . 1 . 1 90 90 LYS N N 15 118.111 0.042 . 1 . . . . . 88 Lys N . 16775 1 1026 . 1 . 1 91 91 ASP H H 1 7.961 0.005 . 1 . . . . . 89 Asp H . 16775 1 1027 . 1 . 1 91 91 ASP HA H 1 4.601 0.004 . 1 . . . . . 89 Asp HA . 16775 1 1028 . 1 . 1 91 91 ASP HB2 H 1 2.585 0.001 . 2 . . . . . 89 Asp QB . 16775 1 1029 . 1 . 1 91 91 ASP HB3 H 1 2.585 0.001 . 2 . . . . . 89 Asp QB . 16775 1 1030 . 1 . 1 91 91 ASP CA C 13 53.251 0.078 . 1 . . . . . 89 Asp CA . 16775 1 1031 . 1 . 1 91 91 ASP CB C 13 40.35 0.121 . 1 . . . . . 89 Asp CB . 16775 1 1032 . 1 . 1 91 91 ASP N N 15 117.036 0.048 . 1 . . . . . 89 Asp N . 16775 1 1033 . 1 . 1 92 92 SER H H 1 8.793 0.009 . 1 . . . . . 90 Ser H . 16775 1 1034 . 1 . 1 92 92 SER HA H 1 4.211 0.003 . 1 . . . . . 90 Ser HA . 16775 1 1035 . 1 . 1 92 92 SER HB2 H 1 4.03 0.005 . 2 . . . . . 90 Ser QB . 16775 1 1036 . 1 . 1 92 92 SER HB3 H 1 4.03 0.005 . 2 . . . . . 90 Ser QB . 16775 1 1037 . 1 . 1 92 92 SER CA C 13 60.276 0.066 . 1 . . . . . 90 Ser CA . 16775 1 1038 . 1 . 1 92 92 SER CB C 13 61.511 0.068 . 1 . . . . . 90 Ser CB . 16775 1 1039 . 1 . 1 92 92 SER N N 15 122.29 0.042 . 1 . . . . . 90 Ser N . 16775 1 1040 . 1 . 1 93 93 GLN H H 1 8.645 0.006 . 1 . . . . . 91 Gln H . 16775 1 1041 . 1 . 1 93 93 GLN HA H 1 3.883 0.004 . 1 . . . . . 91 Gln HA . 16775 1 1042 . 1 . 1 93 93 GLN HB2 H 1 1.67 0.005 . 2 . . . . . 91 Gln HB2 . 16775 1 1043 . 1 . 1 93 93 GLN HB3 H 1 1.461 0.004 . 2 . . . . . 91 Gln HB3 . 16775 1 1044 . 1 . 1 93 93 GLN HE21 H 1 7.898 0.000 . 2 . . . . . 91 Gln HE21 . 16775 1 1045 . 1 . 1 93 93 GLN HE22 H 1 6.66 0.000 . 2 . . . . . 91 Gln HE22 . 16775 1 1046 . 1 . 1 93 93 GLN HG2 H 1 2.289 0.002 . 2 . . . . . 91 Gln HG2 . 16775 1 1047 . 1 . 1 93 93 GLN HG3 H 1 2.136 0.005 . 2 . . . . . 91 Gln HG3 . 16775 1 1048 . 1 . 1 93 93 GLN CA C 13 57.136 0.066 . 1 . . . . . 91 Gln CA . 16775 1 1049 . 1 . 1 93 93 GLN CB C 13 27.229 0.050 . 1 . . . . . 91 Gln CB . 16775 1 1050 . 1 . 1 93 93 GLN CG C 13 33.247 0.058 . 1 . . . . . 91 Gln CG . 16775 1 1051 . 1 . 1 93 93 GLN N N 15 121.05 0.039 . 1 . . . . . 91 Gln N . 16775 1 1052 . 1 . 1 93 93 GLN NE2 N 15 112.97 0.001 . 1 . . . . . 91 Gln NE2 . 16775 1 1053 . 1 . 1 94 94 ILE H H 1 7.532 0.013 . 1 . . . . . 92 Ile H . 16775 1 1054 . 1 . 1 94 94 ILE HA H 1 3.438 0.004 . 1 . . . . . 92 Ile HA . 16775 1 1055 . 1 . 1 94 94 ILE HB H 1 1.763 0.003 . 1 . . . . . 92 Ile HB . 16775 1 1056 . 1 . 1 94 94 ILE HD11 H 1 1 0.002 . 3 . . . . . 92 Ile QD1 . 16775 1 1057 . 1 . 1 94 94 ILE HD12 H 1 1 0.002 . 3 . . . . . 92 Ile QD1 . 16775 1 1058 . 1 . 1 94 94 ILE HD13 H 1 1 0.002 . 3 . . . . . 92 Ile QD1 . 16775 1 1059 . 1 . 1 94 94 ILE HG12 H 1 1.607 0.005 . 2 . . . . . 92 Ile HG12 . 16775 1 1060 . 1 . 1 94 94 ILE HG13 H 1 0.981 0.009 . 2 . . . . . 92 Ile HG13 . 16775 1 1061 . 1 . 1 94 94 ILE HG21 H 1 0.868 0.002 . 3 . . . . . 92 Ile QG2 . 16775 1 1062 . 1 . 1 94 94 ILE HG22 H 1 0.868 0.002 . 3 . . . . . 92 Ile QG2 . 16775 1 1063 . 1 . 1 94 94 ILE HG23 H 1 0.868 0.002 . 3 . . . . . 92 Ile QG2 . 16775 1 1064 . 1 . 1 94 94 ILE CA C 13 64.717 0.058 . 1 . . . . . 92 Ile CA . 16775 1 1065 . 1 . 1 94 94 ILE CB C 13 37.105 0.031 . 1 . . . . . 92 Ile CB . 16775 1 1066 . 1 . 1 94 94 ILE CD1 C 13 13.861 0.050 . 1 . . . . . 92 Ile CD1 . 16775 1 1067 . 1 . 1 94 94 ILE CG1 C 13 30.832 0.067 . 1 . . . . . 92 Ile CG1 . 16775 1 1068 . 1 . 1 94 94 ILE CG2 C 13 15.607 0.057 . 1 . . . . . 92 Ile CG2 . 16775 1 1069 . 1 . 1 94 94 ILE N N 15 117.376 0.103 . 1 . . . . . 92 Ile N . 16775 1 1070 . 1 . 1 96 96 GLU HA H 1 4.126 0.000 . 1 . . . . . 94 Glu HA . 16775 1 1071 . 1 . 1 96 96 GLU HB2 H 1 2.396 0.003 . 2 . . . . . 94 Glu HB2 . 16775 1 1072 . 1 . 1 96 96 GLU HB3 H 1 2.331 0.002 . 2 . . . . . 94 Glu HB3 . 16775 1 1073 . 1 . 1 96 96 GLU HG2 H 1 2.552 0.001 . 2 . . . . . 94 Glu HG2 . 16775 1 1074 . 1 . 1 96 96 GLU HG3 H 1 2.275 0.002 . 2 . . . . . 94 Glu HG3 . 16775 1 1075 . 1 . 1 96 96 GLU CA C 13 57.717 0.040 . 1 . . . . . 94 Glu CA . 16775 1 1076 . 1 . 1 96 96 GLU CB C 13 28.956 0.034 . 1 . . . . . 94 Glu CB . 16775 1 1077 . 1 . 1 96 96 GLU CG C 13 35.147 0.028 . 1 . . . . . 94 Glu CG . 16775 1 1078 . 1 . 1 97 97 LEU HA H 1 4.306 0.007 . 1 . . . . . 95 Leu HA . 16775 1 1079 . 1 . 1 97 97 LEU HB2 H 1 1.852 0.003 . 2 . . . . . 95 Leu HB2 . 16775 1 1080 . 1 . 1 97 97 LEU HB3 H 1 1.03 0.004 . 2 . . . . . 95 Leu HB3 . 16775 1 1081 . 1 . 1 97 97 LEU HD11 H 1 1.059 0.003 . 3 . . . . . 95 Leu QD1 . 16775 1 1082 . 1 . 1 97 97 LEU HD12 H 1 1.059 0.003 . 3 . . . . . 95 Leu QD1 . 16775 1 1083 . 1 . 1 97 97 LEU HD13 H 1 1.059 0.003 . 3 . . . . . 95 Leu QD1 . 16775 1 1084 . 1 . 1 97 97 LEU HD21 H 1 1.035 0.002 . 3 . . . . . 95 Leu QD2 . 16775 1 1085 . 1 . 1 97 97 LEU HD22 H 1 1.035 0.002 . 3 . . . . . 95 Leu QD2 . 16775 1 1086 . 1 . 1 97 97 LEU HD23 H 1 1.035 0.002 . 3 . . . . . 95 Leu QD2 . 16775 1 1087 . 1 . 1 97 97 LEU HG H 1 2.061 0.004 . 1 . . . . . 95 Leu HG . 16775 1 1088 . 1 . 1 97 97 LEU CA C 13 54.56 0.030 . 1 . . . . . 95 Leu CA . 16775 1 1089 . 1 . 1 97 97 LEU CB C 13 41.906 0.045 . 1 . . . . . 95 Leu CB . 16775 1 1090 . 1 . 1 97 97 LEU CD1 C 13 25.107 0.068 . 2 . . . . . 95 Leu CD1 . 16775 1 1091 . 1 . 1 97 97 LEU CD2 C 13 22.631 0.069 . 2 . . . . . 95 Leu CD2 . 16775 1 1092 . 1 . 1 97 97 LEU CG C 13 24.85 0.005 . 1 . . . . . 95 Leu CG . 16775 1 1093 . 1 . 1 98 98 LYS H H 1 7.318 0.006 . 1 . . . . . 96 Lys H . 16775 1 1094 . 1 . 1 98 98 LYS HA H 1 4.612 0.002 . 1 . . . . . 96 Lys HA . 16775 1 1095 . 1 . 1 98 98 LYS HB2 H 1 2.04 0.004 . 2 . . . . . 96 Lys HB2 . 16775 1 1096 . 1 . 1 98 98 LYS HB3 H 1 1.719 0.002 . 2 . . . . . 96 Lys HB3 . 16775 1 1097 . 1 . 1 98 98 LYS HD2 H 1 1.803 0.007 . 2 . . . . . 96 Lys QD . 16775 1 1098 . 1 . 1 98 98 LYS HD3 H 1 1.803 0.007 . 2 . . . . . 96 Lys QD . 16775 1 1099 . 1 . 1 98 98 LYS HE2 H 1 3.14 0.000 . 2 . . . . . 96 Lys QE . 16775 1 1100 . 1 . 1 98 98 LYS HE3 H 1 3.14 0.000 . 2 . . . . . 96 Lys QE . 16775 1 1101 . 1 . 1 98 98 LYS HG2 H 1 1.569 0.002 . 2 . . . . . 96 Lys QG . 16775 1 1102 . 1 . 1 98 98 LYS HG3 H 1 1.569 0.002 . 2 . . . . . 96 Lys QG . 16775 1 1103 . 1 . 1 98 98 LYS CA C 13 54.054 0.018 . 1 . . . . . 96 Lys CA . 16775 1 1104 . 1 . 1 98 98 LYS CB C 13 35.022 0.046 . 1 . . . . . 96 Lys CB . 16775 1 1105 . 1 . 1 98 98 LYS CD C 13 27.849 0.049 . 1 . . . . . 96 Lys CD . 16775 1 1106 . 1 . 1 98 98 LYS CE C 13 40.911 0.066 . 1 . . . . . 96 Lys CE . 16775 1 1107 . 1 . 1 98 98 LYS CG C 13 23.616 0.015 . 1 . . . . . 96 Lys CG . 16775 1 1108 . 1 . 1 98 98 LYS N N 15 119.494 0.006 . 1 . . . . . 96 Lys N . 16775 1 1109 . 1 . 1 99 99 TYR H H 1 8.785 0.000 . 1 . . . . . 97 Tyr H . 16775 1 1110 . 1 . 1 99 99 TYR HA H 1 4.408 0.005 . 1 . . . . . 97 Tyr HA . 16775 1 1111 . 1 . 1 99 99 TYR HB2 H 1 3.207 0.012 . 2 . . . . . 97 Tyr HB2 . 16775 1 1112 . 1 . 1 99 99 TYR HB3 H 1 2.756 0.012 . 2 . . . . . 97 Tyr HB3 . 16775 1 1113 . 1 . 1 99 99 TYR HD1 H 1 7.229 0.003 . 3 . . . . . 97 Tyr QD . 16775 1 1114 . 1 . 1 99 99 TYR HD2 H 1 7.229 0.003 . 3 . . . . . 97 Tyr QD . 16775 1 1115 . 1 . 1 99 99 TYR HE1 H 1 6.886 0.000 . 3 . . . . . 97 Tyr QE . 16775 1 1116 . 1 . 1 99 99 TYR HE2 H 1 6.886 0.000 . 3 . . . . . 97 Tyr QE . 16775 1 1117 . 1 . 1 99 99 TYR CA C 13 58.785 0.075 . 1 . . . . . 97 Tyr CA . 16775 1 1118 . 1 . 1 99 99 TYR CB C 13 37.168 0.065 . 1 . . . . . 97 Tyr CB . 16775 1 1119 . 1 . 1 99 99 TYR CD1 C 13 132.091 0.000 . 3 . . . . . 97 Tyr CD1 . 16775 1 1120 . 1 . 1 99 99 TYR CD2 C 13 132.091 0.000 . 3 . . . . . 97 Tyr CD2 . 16775 1 1121 . 1 . 1 99 99 TYR CE1 C 13 117.083 0.000 . 3 . . . . . 97 Tyr CE1 . 16775 1 1122 . 1 . 1 99 99 TYR CE2 C 13 117.083 0.000 . 3 . . . . . 97 Tyr CE2 . 16775 1 1123 . 1 . 1 99 99 TYR N N 15 120.545 0.062 . 1 . . . . . 97 Tyr N . 16775 1 1124 . 1 . 1 100 100 ASP H H 1 8.737 0.016 . 1 . . . . . 98 Asp H . 16775 1 1125 . 1 . 1 100 100 ASP HA H 1 4.704 0.008 . 1 . . . . . 98 Asp HA . 16775 1 1126 . 1 . 1 100 100 ASP HB2 H 1 2.817 0.006 . 2 . . . . . 98 Asp HB2 . 16775 1 1127 . 1 . 1 100 100 ASP HB3 H 1 2.683 0.002 . 2 . . . . . 98 Asp HB3 . 16775 1 1128 . 1 . 1 100 100 ASP CA C 13 53.423 0.081 . 1 . . . . . 98 Asp CA . 16775 1 1129 . 1 . 1 100 100 ASP CB C 13 40.37 0.063 . 1 . . . . . 98 Asp CB . 16775 1 1130 . 1 . 1 100 100 ASP N N 15 121.793 0.051 . 1 . . . . . 98 Asp N . 16775 1 1131 . 1 . 1 101 101 LYS H H 1 8.425 0.009 . 1 . . . . . 99 Lys H . 16775 1 1132 . 1 . 1 101 101 LYS HA H 1 4.397 0.003 . 1 . . . . . 99 Lys HA . 16775 1 1133 . 1 . 1 101 101 LYS HB2 H 1 1.9 0.003 . 2 . . . . . 99 Lys HB2 . 16775 1 1134 . 1 . 1 101 101 LYS HB3 H 1 1.82 0.013 . 2 . . . . . 99 Lys HB3 . 16775 1 1135 . 1 . 1 101 101 LYS HD2 H 1 1.76 0.004 . 2 . . . . . 99 Lys QD . 16775 1 1136 . 1 . 1 101 101 LYS HD3 H 1 1.76 0.004 . 2 . . . . . 99 Lys QD . 16775 1 1137 . 1 . 1 101 101 LYS HE2 H 1 3.062 0.007 . 2 . . . . . 99 Lys QE . 16775 1 1138 . 1 . 1 101 101 LYS HE3 H 1 3.062 0.007 . 2 . . . . . 99 Lys QE . 16775 1 1139 . 1 . 1 101 101 LYS HG2 H 1 1.51 0.001 . 2 . . . . . 99 Lys QG . 16775 1 1140 . 1 . 1 101 101 LYS HG3 H 1 1.51 0.001 . 2 . . . . . 99 Lys QG . 16775 1 1141 . 1 . 1 101 101 LYS CA C 13 54.964 0.120 . 1 . . . . . 99 Lys CA . 16775 1 1142 . 1 . 1 101 101 LYS CB C 13 31.947 0.052 . 1 . . . . . 99 Lys CB . 16775 1 1143 . 1 . 1 101 101 LYS CD C 13 27.75 0.030 . 1 . . . . . 99 Lys CD . 16775 1 1144 . 1 . 1 101 101 LYS CE C 13 40.729 0.040 . 1 . . . . . 99 Lys CE . 16775 1 1145 . 1 . 1 101 101 LYS CG C 13 23.583 0.046 . 1 . . . . . 99 Lys CG . 16775 1 1146 . 1 . 1 101 101 LYS N N 15 121.691 0.044 . 1 . . . . . 99 Lys N . 16775 1 1147 . 1 . 1 102 102 GLN H H 1 8.404 0.007 . 1 . . . . . 100 Gln H . 16775 1 1148 . 1 . 1 102 102 GLN HA H 1 4.447 0.005 . 1 . . . . . 100 Gln HA . 16775 1 1149 . 1 . 1 102 102 GLN HB2 H 1 2.146 0.002 . 2 . . . . . 100 Gln HB2 . 16775 1 1150 . 1 . 1 102 102 GLN HB3 H 1 2.046 0.001 . 2 . . . . . 100 Gln HB3 . 16775 1 1151 . 1 . 1 102 102 GLN HE21 H 1 7.563 0.000 . 2 . . . . . 100 Gln HE21 . 16775 1 1152 . 1 . 1 102 102 GLN HE22 H 1 6.875 0.000 . 2 . . . . . 100 Gln HE22 . 16775 1 1153 . 1 . 1 102 102 GLN HG2 H 1 2.158 0.000 . 2 . . . . . 100 Gln HG2 . 16775 1 1154 . 1 . 1 102 102 GLN HG3 H 1 2.042 0.000 . 2 . . . . . 100 Gln HG3 . 16775 1 1155 . 1 . 1 102 102 GLN CA C 13 54.466 0.071 . 1 . . . . . 100 Gln CA . 16775 1 1156 . 1 . 1 102 102 GLN CB C 13 28.651 0.087 . 1 . . . . . 100 Gln CB . 16775 1 1157 . 1 . 1 102 102 GLN CG C 13 32.67 0.064 . 1 . . . . . 100 Gln CG . 16775 1 1158 . 1 . 1 102 102 GLN N N 15 121.818 0.090 . 1 . . . . . 100 Gln N . 16775 1 1159 . 1 . 1 102 102 GLN NE2 N 15 112.257 0.003 . 1 . . . . . 100 Gln NE2 . 16775 1 1160 . 1 . 1 103 103 ILE H H 1 8.333 0.010 . 1 . . . . . 101 Ile H . 16775 1 1161 . 1 . 1 103 103 ILE HA H 1 4.107 0.005 . 1 . . . . . 101 Ile HA . 16775 1 1162 . 1 . 1 103 103 ILE HB H 1 1.814 0.001 . 1 . . . . . 101 Ile HB . 16775 1 1163 . 1 . 1 103 103 ILE HD11 H 1 0.831 0.008 . 3 . . . . . 101 Ile QD1 . 16775 1 1164 . 1 . 1 103 103 ILE HD12 H 1 0.831 0.008 . 3 . . . . . 101 Ile QD1 . 16775 1 1165 . 1 . 1 103 103 ILE HD13 H 1 0.831 0.008 . 3 . . . . . 101 Ile QD1 . 16775 1 1166 . 1 . 1 103 103 ILE HG12 H 1 1.488 0.002 . 2 . . . . . 101 Ile HG12 . 16775 1 1167 . 1 . 1 103 103 ILE HG13 H 1 1.147 0.003 . 2 . . . . . 101 Ile HG13 . 16775 1 1168 . 1 . 1 103 103 ILE HG21 H 1 0.849 0.005 . 3 . . . . . 101 Ile QG2 . 16775 1 1169 . 1 . 1 103 103 ILE HG22 H 1 0.849 0.005 . 3 . . . . . 101 Ile QG2 . 16775 1 1170 . 1 . 1 103 103 ILE HG23 H 1 0.849 0.005 . 3 . . . . . 101 Ile QG2 . 16775 1 1171 . 1 . 1 103 103 ILE CA C 13 59.785 0.072 . 1 . . . . . 101 Ile CA . 16775 1 1172 . 1 . 1 103 103 ILE CB C 13 37.948 0.059 . 1 . . . . . 101 Ile CB . 16775 1 1173 . 1 . 1 103 103 ILE CD1 C 13 12.036 0.059 . 1 . . . . . 101 Ile CD1 . 16775 1 1174 . 1 . 1 103 103 ILE CG1 C 13 26.451 0.044 . 1 . . . . . 101 Ile CG1 . 16775 1 1175 . 1 . 1 103 103 ILE CG2 C 13 16.12 0.055 . 1 . . . . . 101 Ile CG2 . 16775 1 1176 . 1 . 1 103 103 ILE N N 15 122.597 0.066 . 1 . . . . . 101 Ile N . 16775 1 1177 . 1 . 1 104 104 ASP H H 1 8.436 0.011 . 1 . . . . . 102 Asp H . 16775 1 1178 . 1 . 1 104 104 ASP HA H 1 4.852 0.002 . 1 . . . . . 102 Asp HA . 16775 1 1179 . 1 . 1 104 104 ASP HB2 H 1 2.955 0.003 . 2 . . . . . 102 Asp HB2 . 16775 1 1180 . 1 . 1 104 104 ASP HB3 H 1 2.65 0.004 . 2 . . . . . 102 Asp HB3 . 16775 1 1181 . 1 . 1 104 104 ASP CA C 13 51.622 0.075 . 1 . . . . . 102 Asp CA . 16775 1 1182 . 1 . 1 104 104 ASP CB C 13 39.748 0.115 . 1 . . . . . 102 Asp CB . 16775 1 1183 . 1 . 1 104 104 ASP N N 15 125.104 0.040 . 1 . . . . . 102 Asp N . 16775 1 1184 . 1 . 1 105 105 LEU H H 1 8.766 0.013 . 1 . . . . . 103 Leu H . 16775 1 1185 . 1 . 1 105 105 LEU HA H 1 4.2 0.006 . 1 . . . . . 103 Leu HA . 16775 1 1186 . 1 . 1 105 105 LEU HB2 H 1 1.863 0.005 . 2 . . . . . 103 Leu HB2 . 16775 1 1187 . 1 . 1 105 105 LEU HB3 H 1 1.779 0.005 . 2 . . . . . 103 Leu HB3 . 16775 1 1188 . 1 . 1 105 105 LEU HD11 H 1 1.115 0.004 . 3 . . . . . 103 Leu QD1 . 16775 1 1189 . 1 . 1 105 105 LEU HD12 H 1 1.115 0.004 . 3 . . . . . 103 Leu QD1 . 16775 1 1190 . 1 . 1 105 105 LEU HD13 H 1 1.115 0.004 . 3 . . . . . 103 Leu QD1 . 16775 1 1191 . 1 . 1 105 105 LEU HD21 H 1 0.893 0.003 . 3 . . . . . 103 Leu QD2 . 16775 1 1192 . 1 . 1 105 105 LEU HD22 H 1 0.893 0.003 . 3 . . . . . 103 Leu QD2 . 16775 1 1193 . 1 . 1 105 105 LEU HD23 H 1 0.893 0.003 . 3 . . . . . 103 Leu QD2 . 16775 1 1194 . 1 . 1 105 105 LEU HG H 1 1.876 0.006 . 1 . . . . . 103 Leu HG . 16775 1 1195 . 1 . 1 105 105 LEU CA C 13 55.187 0.039 . 1 . . . . . 103 Leu CA . 16775 1 1196 . 1 . 1 105 105 LEU CB C 13 40.742 0.091 . 1 . . . . . 103 Leu CB . 16775 1 1197 . 1 . 1 105 105 LEU CD1 C 13 24.936 0.075 . 2 . . . . . 103 Leu CD1 . 16775 1 1198 . 1 . 1 105 105 LEU CD2 C 13 22.175 0.055 . 2 . . . . . 103 Leu CD2 . 16775 1 1199 . 1 . 1 105 105 LEU CG C 13 26.09 0.132 . 1 . . . . . 103 Leu CG . 16775 1 1200 . 1 . 1 105 105 LEU N N 15 126.486 0.062 . 1 . . . . . 103 Leu N . 16775 1 1201 . 1 . 1 106 106 SER H H 1 8.585 0.005 . 1 . . . . . 104 Ser H . 16775 1 1202 . 1 . 1 106 106 SER HA H 1 4.378 0.004 . 1 . . . . . 104 Ser HA . 16775 1 1203 . 1 . 1 106 106 SER HB2 H 1 4.071 0.006 . 2 . . . . . 104 Ser HB2 . 16775 1 1204 . 1 . 1 106 106 SER HB3 H 1 3.992 0.006 . 2 . . . . . 104 Ser HB3 . 16775 1 1205 . 1 . 1 106 106 SER CA C 13 60.048 0.058 . 1 . . . . . 104 Ser CA . 16775 1 1206 . 1 . 1 106 106 SER CB C 13 62.306 0.051 . 1 . . . . . 104 Ser CB . 16775 1 1207 . 1 . 1 106 106 SER N N 15 114.365 0.055 . 1 . . . . . 104 Ser N . 16775 1 1208 . 1 . 1 107 107 THR H H 1 7.559 0.006 . 1 . . . . . 105 Thr H . 16775 1 1209 . 1 . 1 107 107 THR HA H 1 4.542 0.002 . 1 . . . . . 105 Thr HA . 16775 1 1210 . 1 . 1 107 107 THR HB H 1 4.413 0.008 . 1 . . . . . 105 Thr HB . 16775 1 1211 . 1 . 1 107 107 THR HG21 H 1 1.21 0.009 . 3 . . . . . 105 Thr QG2 . 16775 1 1212 . 1 . 1 107 107 THR HG22 H 1 1.21 0.009 . 3 . . . . . 105 Thr QG2 . 16775 1 1213 . 1 . 1 107 107 THR HG23 H 1 1.21 0.009 . 3 . . . . . 105 Thr QG2 . 16775 1 1214 . 1 . 1 107 107 THR CA C 13 60.39 0.066 . 1 . . . . . 105 Thr CA . 16775 1 1215 . 1 . 1 107 107 THR CB C 13 68.91 0.084 . 1 . . . . . 105 Thr CB . 16775 1 1216 . 1 . 1 107 107 THR CG2 C 13 20.345 0.083 . 1 . . . . . 105 Thr CG2 . 16775 1 1217 . 1 . 1 107 107 THR N N 15 109.438 0.080 . 1 . . . . . 105 Thr N . 16775 1 1218 . 1 . 1 108 108 VAL H H 1 7.415 0.007 . 1 . . . . . 106 Val H . 16775 1 1219 . 1 . 1 108 108 VAL HA H 1 4.09 0.004 . 1 . . . . . 106 Val HA . 16775 1 1220 . 1 . 1 108 108 VAL HB H 1 2.086 0.004 . 1 . . . . . 106 Val HB . 16775 1 1221 . 1 . 1 108 108 VAL HG11 H 1 0.855 0.002 . 3 . . . . . 106 Val QG1 . 16775 1 1222 . 1 . 1 108 108 VAL HG12 H 1 0.855 0.002 . 3 . . . . . 106 Val QG1 . 16775 1 1223 . 1 . 1 108 108 VAL HG13 H 1 0.855 0.002 . 3 . . . . . 106 Val QG1 . 16775 1 1224 . 1 . 1 108 108 VAL HG21 H 1 0.958 0.003 . 3 . . . . . 106 Val QG2 . 16775 1 1225 . 1 . 1 108 108 VAL HG22 H 1 0.958 0.003 . 3 . . . . . 106 Val QG2 . 16775 1 1226 . 1 . 1 108 108 VAL HG23 H 1 0.958 0.003 . 3 . . . . . 106 Val QG2 . 16775 1 1227 . 1 . 1 108 108 VAL CA C 13 60.816 0.086 . 1 . . . . . 106 Val CA . 16775 1 1228 . 1 . 1 108 108 VAL CB C 13 31.821 0.024 . 1 . . . . . 106 Val CB . 16775 1 1229 . 1 . 1 108 108 VAL CG1 C 13 19.728 0.038 . 2 . . . . . 106 Val CG1 . 16775 1 1230 . 1 . 1 108 108 VAL CG2 C 13 20.574 0.064 . 2 . . . . . 106 Val CG2 . 16775 1 1231 . 1 . 1 108 108 VAL N N 15 121.922 0.059 . 1 . . . . . 106 Val N . 16775 1 1232 . 1 . 1 109 109 ASP H H 1 8.246 0.011 . 1 . . . . . 107 Asp H . 16775 1 1233 . 1 . 1 109 109 ASP HA H 1 4.838 0.002 . 1 . . . . . 107 Asp HA . 16775 1 1234 . 1 . 1 109 109 ASP HB2 H 1 2.858 0.007 . 2 . . . . . 107 Asp HB2 . 16775 1 1235 . 1 . 1 109 109 ASP HB3 H 1 2.617 0.003 . 2 . . . . . 107 Asp HB3 . 16775 1 1236 . 1 . 1 109 109 ASP CA C 13 51.216 0.061 . 1 . . . . . 107 Asp CA . 16775 1 1237 . 1 . 1 109 109 ASP CB C 13 39.165 0.089 . 1 . . . . . 107 Asp CB . 16775 1 1238 . 1 . 1 109 109 ASP N N 15 124.796 0.056 . 1 . . . . . 107 Asp N . 16775 1 1239 . 1 . 1 110 110 LEU H H 1 8.599 0.012 . 1 . . . . . 108 Leu H . 16775 1 1240 . 1 . 1 110 110 LEU HA H 1 3.838 0.003 . 1 . . . . . 108 Leu HA . 16775 1 1241 . 1 . 1 110 110 LEU HB2 H 1 1.861 0.004 . 2 . . . . . 108 Leu HB2 . 16775 1 1242 . 1 . 1 110 110 LEU HB3 H 1 1.431 0.006 . 2 . . . . . 108 Leu HB3 . 16775 1 1243 . 1 . 1 110 110 LEU HD11 H 1 1.01 0.002 . 3 . . . . . 108 Leu QD1 . 16775 1 1244 . 1 . 1 110 110 LEU HD12 H 1 1.01 0.002 . 3 . . . . . 108 Leu QD1 . 16775 1 1245 . 1 . 1 110 110 LEU HD13 H 1 1.01 0.002 . 3 . . . . . 108 Leu QD1 . 16775 1 1246 . 1 . 1 110 110 LEU HD21 H 1 0.777 0.003 . 3 . . . . . 108 Leu QD2 . 16775 1 1247 . 1 . 1 110 110 LEU HD22 H 1 0.777 0.003 . 3 . . . . . 108 Leu QD2 . 16775 1 1248 . 1 . 1 110 110 LEU HD23 H 1 0.777 0.003 . 3 . . . . . 108 Leu QD2 . 16775 1 1249 . 1 . 1 110 110 LEU HG H 1 1.921 0.000 . 1 . . . . . 108 Leu HG . 16775 1 1250 . 1 . 1 110 110 LEU CA C 13 56.543 0.044 . 1 . . . . . 108 Leu CA . 16775 1 1251 . 1 . 1 110 110 LEU CB C 13 41.264 0.045 . 1 . . . . . 108 Leu CB . 16775 1 1252 . 1 . 1 110 110 LEU CD1 C 13 25.677 0.073 . 2 . . . . . 108 Leu CD1 . 16775 1 1253 . 1 . 1 110 110 LEU CD2 C 13 21.863 0.079 . 2 . . . . . 108 Leu CD2 . 16775 1 1254 . 1 . 1 110 110 LEU CG C 13 25.794 0.024 . 1 . . . . . 108 Leu CG . 16775 1 1255 . 1 . 1 110 110 LEU N N 15 125.808 0.042 . 1 . . . . . 108 Leu N . 16775 1 1256 . 1 . 1 111 111 LYS H H 1 7.957 0.006 . 1 . . . . . 109 Lys H . 16775 1 1257 . 1 . 1 111 111 LYS HA H 1 3.941 0.004 . 1 . . . . . 109 Lys HA . 16775 1 1258 . 1 . 1 111 111 LYS HB2 H 1 1.995 0.008 . 2 . . . . . 109 Lys HB2 . 16775 1 1259 . 1 . 1 111 111 LYS HB3 H 1 1.877 0.005 . 2 . . . . . 109 Lys HB3 . 16775 1 1260 . 1 . 1 111 111 LYS HD2 H 1 1.787 0.010 . 2 . . . . . 109 Lys QD . 16775 1 1261 . 1 . 1 111 111 LYS HD3 H 1 1.787 0.010 . 2 . . . . . 109 Lys QD . 16775 1 1262 . 1 . 1 111 111 LYS HE2 H 1 3.092 0.003 . 2 . . . . . 109 Lys QE . 16775 1 1263 . 1 . 1 111 111 LYS HE3 H 1 3.092 0.003 . 2 . . . . . 109 Lys QE . 16775 1 1264 . 1 . 1 111 111 LYS HG2 H 1 1.544 0.007 . 2 . . . . . 109 Lys QG . 16775 1 1265 . 1 . 1 111 111 LYS HG3 H 1 1.544 0.007 . 2 . . . . . 109 Lys QG . 16775 1 1266 . 1 . 1 111 111 LYS CA C 13 57.509 0.101 . 1 . . . . . 109 Lys CA . 16775 1 1267 . 1 . 1 111 111 LYS CB C 13 30.426 0.050 . 1 . . . . . 109 Lys CB . 16775 1 1268 . 1 . 1 111 111 LYS CD C 13 27.798 0.091 . 1 . . . . . 109 Lys CD . 16775 1 1269 . 1 . 1 111 111 LYS CE C 13 40.179 0.089 . 1 . . . . . 109 Lys CE . 16775 1 1270 . 1 . 1 111 111 LYS CG C 13 24.154 0.043 . 1 . . . . . 109 Lys CG . 16775 1 1271 . 1 . 1 111 111 LYS N N 15 112.352 0.035 . 1 . . . . . 109 Lys N . 16775 1 1272 . 1 . 1 112 112 LYS H H 1 7.549 0.006 . 1 . . . . . 110 Lys H . 16775 1 1273 . 1 . 1 112 112 LYS HA H 1 4.321 0.002 . 1 . . . . . 110 Lys HA . 16775 1 1274 . 1 . 1 112 112 LYS HB2 H 1 2.054 0.005 . 2 . . . . . 110 Lys HB2 . 16775 1 1275 . 1 . 1 112 112 LYS HB3 H 1 1.867 0.002 . 2 . . . . . 110 Lys HB3 . 16775 1 1276 . 1 . 1 112 112 LYS HD2 H 1 1.739 0.004 . 2 . . . . . 110 Lys QD . 16775 1 1277 . 1 . 1 112 112 LYS HD3 H 1 1.739 0.004 . 2 . . . . . 110 Lys QD . 16775 1 1278 . 1 . 1 112 112 LYS HE2 H 1 3.053 0.010 . 2 . . . . . 110 Lys QE . 16775 1 1279 . 1 . 1 112 112 LYS HE3 H 1 3.053 0.010 . 2 . . . . . 110 Lys QE . 16775 1 1280 . 1 . 1 112 112 LYS HG2 H 1 1.516 0.005 . 2 . . . . . 110 Lys HG2 . 16775 1 1281 . 1 . 1 112 112 LYS HG3 H 1 1.387 0.013 . 2 . . . . . 110 Lys HG3 . 16775 1 1282 . 1 . 1 112 112 LYS CA C 13 54.843 0.066 . 1 . . . . . 110 Lys CA . 16775 1 1283 . 1 . 1 112 112 LYS CB C 13 31.686 0.053 . 1 . . . . . 110 Lys CB . 16775 1 1284 . 1 . 1 112 112 LYS CD C 13 27.777 0.037 . 1 . . . . . 110 Lys CD . 16775 1 1285 . 1 . 1 112 112 LYS CE C 13 40.813 0.103 . 1 . . . . . 110 Lys CE . 16775 1 1286 . 1 . 1 112 112 LYS CG C 13 24.357 0.102 . 1 . . . . . 110 Lys CG . 16775 1 1287 . 1 . 1 112 112 LYS N N 15 117.031 0.091 . 1 . . . . . 110 Lys N . 16775 1 1288 . 1 . 1 113 113 LEU H H 1 7.161 0.005 . 1 . . . . . 111 Leu H . 16775 1 1289 . 1 . 1 113 113 LEU HA H 1 4.405 0.003 . 1 . . . . . 111 Leu HA . 16775 1 1290 . 1 . 1 113 113 LEU HB2 H 1 1.818 0.008 . 2 . . . . . 111 Leu HB2 . 16775 1 1291 . 1 . 1 113 113 LEU HB3 H 1 1.549 0.003 . 2 . . . . . 111 Leu HB3 . 16775 1 1292 . 1 . 1 113 113 LEU HD11 H 1 0.767 0.005 . 3 . . . . . 111 Leu QD1 . 16775 1 1293 . 1 . 1 113 113 LEU HD12 H 1 0.767 0.005 . 3 . . . . . 111 Leu QD1 . 16775 1 1294 . 1 . 1 113 113 LEU HD13 H 1 0.767 0.005 . 3 . . . . . 111 Leu QD1 . 16775 1 1295 . 1 . 1 113 113 LEU HD21 H 1 0.754 0.003 . 3 . . . . . 111 Leu QD2 . 16775 1 1296 . 1 . 1 113 113 LEU HD22 H 1 0.754 0.003 . 3 . . . . . 111 Leu QD2 . 16775 1 1297 . 1 . 1 113 113 LEU HD23 H 1 0.754 0.003 . 3 . . . . . 111 Leu QD2 . 16775 1 1298 . 1 . 1 113 113 LEU HG H 1 1.777 0.005 . 1 . . . . . 111 Leu HG . 16775 1 1299 . 1 . 1 113 113 LEU CA C 13 53.473 0.052 . 1 . . . . . 111 Leu CA . 16775 1 1300 . 1 . 1 113 113 LEU CB C 13 41.12 0.037 . 1 . . . . . 111 Leu CB . 16775 1 1301 . 1 . 1 113 113 LEU CD1 C 13 24.445 0.069 . 2 . . . . . 111 Leu CD1 . 16775 1 1302 . 1 . 1 113 113 LEU CD2 C 13 21.531 0.071 . 2 . . . . . 111 Leu CD2 . 16775 1 1303 . 1 . 1 113 113 LEU CG C 13 26.2 0.047 . 1 . . . . . 111 Leu CG . 16775 1 1304 . 1 . 1 113 113 LEU N N 15 120.434 0.041 . 1 . . . . . 111 Leu N . 16775 1 1305 . 1 . 1 114 114 ARG H H 1 8.702 0.009 . 1 . . . . . 112 Arg H . 16775 1 1306 . 1 . 1 114 114 ARG HA H 1 4.513 0.006 . 1 . . . . . 112 Arg HA . 16775 1 1307 . 1 . 1 114 114 ARG HB2 H 1 2.236 0.002 . 2 . . . . . 112 Arg HB2 . 16775 1 1308 . 1 . 1 114 114 ARG HB3 H 1 1.748 0.002 . 2 . . . . . 112 Arg HB3 . 16775 1 1309 . 1 . 1 114 114 ARG HD2 H 1 3.276 0.014 . 2 . . . . . 112 Arg QD . 16775 1 1310 . 1 . 1 114 114 ARG HD3 H 1 3.276 0.014 . 2 . . . . . 112 Arg QD . 16775 1 1311 . 1 . 1 114 114 ARG HG2 H 1 1.867 0.007 . 2 . . . . . 112 Arg QG . 16775 1 1312 . 1 . 1 114 114 ARG HG3 H 1 1.867 0.007 . 2 . . . . . 112 Arg QG . 16775 1 1313 . 1 . 1 114 114 ARG CA C 13 53.792 0.088 . 1 . . . . . 112 Arg CA . 16775 1 1314 . 1 . 1 114 114 ARG CB C 13 30.144 0.042 . 1 . . . . . 112 Arg CB . 16775 1 1315 . 1 . 1 114 114 ARG CD C 13 42.12 0.131 . 1 . . . . . 112 Arg CD . 16775 1 1316 . 1 . 1 114 114 ARG CG C 13 26.642 0.050 . 1 . . . . . 112 Arg CG . 16775 1 1317 . 1 . 1 114 114 ARG N N 15 118.238 0.024 . 1 . . . . . 112 Arg N . 16775 1 1318 . 1 . 1 115 115 VAL H H 1 8.911 0.011 . 1 . . . . . 113 Val H . 16775 1 1319 . 1 . 1 115 115 VAL HA H 1 3.306 0.003 . 1 . . . . . 113 Val HA . 16775 1 1320 . 1 . 1 115 115 VAL HB H 1 2.029 0.002 . 1 . . . . . 113 Val HB . 16775 1 1321 . 1 . 1 115 115 VAL HG11 H 1 0.648 0.007 . 3 . . . . . 113 Val QG1 . 16775 1 1322 . 1 . 1 115 115 VAL HG12 H 1 0.648 0.007 . 3 . . . . . 113 Val QG1 . 16775 1 1323 . 1 . 1 115 115 VAL HG13 H 1 0.648 0.007 . 3 . . . . . 113 Val QG1 . 16775 1 1324 . 1 . 1 115 115 VAL HG21 H 1 1.022 0.004 . 3 . . . . . 113 Val QG2 . 16775 1 1325 . 1 . 1 115 115 VAL HG22 H 1 1.022 0.004 . 3 . . . . . 113 Val QG2 . 16775 1 1326 . 1 . 1 115 115 VAL HG23 H 1 1.022 0.004 . 3 . . . . . 113 Val QG2 . 16775 1 1327 . 1 . 1 115 115 VAL CA C 13 67.003 0.054 . 1 . . . . . 113 Val CA . 16775 1 1328 . 1 . 1 115 115 VAL CB C 13 29.787 0.086 . 1 . . . . . 113 Val CB . 16775 1 1329 . 1 . 1 115 115 VAL CG1 C 13 19.681 0.056 . 2 . . . . . 113 Val CG1 . 16775 1 1330 . 1 . 1 115 115 VAL CG2 C 13 22.417 0.052 . 2 . . . . . 113 Val CG2 . 16775 1 1331 . 1 . 1 115 115 VAL N N 15 122.497 0.081 . 1 . . . . . 113 Val N . 16775 1 1332 . 1 . 1 116 116 LYS H H 1 8.353 0.009 . 1 . . . . . 114 Lys H . 16775 1 1333 . 1 . 1 116 116 LYS HA H 1 3.859 0.002 . 1 . . . . . 114 Lys HA . 16775 1 1334 . 1 . 1 116 116 LYS HB2 H 1 1.848 0.006 . 2 . . . . . 114 Lys HB2 . 16775 1 1335 . 1 . 1 116 116 LYS HB3 H 1 1.686 0.001 . 2 . . . . . 114 Lys HB3 . 16775 1 1336 . 1 . 1 116 116 LYS HD2 H 1 1.693 0.002 . 2 . . . . . 114 Lys QD . 16775 1 1337 . 1 . 1 116 116 LYS HD3 H 1 1.693 0.002 . 2 . . . . . 114 Lys QD . 16775 1 1338 . 1 . 1 116 116 LYS HE2 H 1 2.996 0.005 . 2 . . . . . 114 Lys QE . 16775 1 1339 . 1 . 1 116 116 LYS HE3 H 1 2.996 0.005 . 2 . . . . . 114 Lys QE . 16775 1 1340 . 1 . 1 116 116 LYS HG2 H 1 1.431 0.013 . 2 . . . . . 114 Lys HG2 . 16775 1 1341 . 1 . 1 116 116 LYS HG3 H 1 1.37 0.006 . 2 . . . . . 114 Lys HG3 . 16775 1 1342 . 1 . 1 116 116 LYS CA C 13 58.627 0.069 . 1 . . . . . 114 Lys CA . 16775 1 1343 . 1 . 1 116 116 LYS CB C 13 31.184 0.075 . 1 . . . . . 114 Lys CB . 16775 1 1344 . 1 . 1 116 116 LYS CD C 13 28.094 0.050 . 1 . . . . . 114 Lys CD . 16775 1 1345 . 1 . 1 116 116 LYS CE C 13 40.578 0.071 . 1 . . . . . 114 Lys CE . 16775 1 1346 . 1 . 1 116 116 LYS CG C 13 23.72 0.040 . 1 . . . . . 114 Lys CG . 16775 1 1347 . 1 . 1 116 116 LYS N N 15 116.466 0.053 . 1 . . . . . 114 Lys N . 16775 1 1348 . 1 . 1 117 117 GLU H H 1 6.963 0.003 . 1 . . . . . 115 Glu H . 16775 1 1349 . 1 . 1 117 117 GLU HA H 1 4.016 0.005 . 1 . . . . . 115 Glu HA . 16775 1 1350 . 1 . 1 117 117 GLU HB2 H 1 2.435 0.002 . 2 . . . . . 115 Glu HB2 . 16775 1 1351 . 1 . 1 117 117 GLU HB3 H 1 1.977 0.002 . 2 . . . . . 115 Glu HB3 . 16775 1 1352 . 1 . 1 117 117 GLU HG2 H 1 2.356 0.002 . 2 . . . . . 115 Glu HG2 . 16775 1 1353 . 1 . 1 117 117 GLU HG3 H 1 2.174 0.002 . 2 . . . . . 115 Glu HG3 . 16775 1 1354 . 1 . 1 117 117 GLU CA C 13 57.812 0.082 . 1 . . . . . 115 Glu CA . 16775 1 1355 . 1 . 1 117 117 GLU CB C 13 29.343 0.079 . 1 . . . . . 115 Glu CB . 16775 1 1356 . 1 . 1 117 117 GLU CG C 13 36.741 0.054 . 1 . . . . . 115 Glu CG . 16775 1 1357 . 1 . 1 117 117 GLU N N 15 117.685 0.033 . 1 . . . . . 115 Glu N . 16775 1 1358 . 1 . 1 118 118 LEU H H 1 7.68 0.004 . 1 . . . . . 116 Leu H . 16775 1 1359 . 1 . 1 118 118 LEU HA H 1 3.865 0.004 . 1 . . . . . 116 Leu HA . 16775 1 1360 . 1 . 1 118 118 LEU HB2 H 1 1.692 0.006 . 2 . . . . . 116 Leu HB2 . 16775 1 1361 . 1 . 1 118 118 LEU HB3 H 1 1.192 0.003 . 2 . . . . . 116 Leu HB3 . 16775 1 1362 . 1 . 1 118 118 LEU HD11 H 1 0.837 0.002 . 3 . . . . . 116 Leu QD1 . 16775 1 1363 . 1 . 1 118 118 LEU HD12 H 1 0.837 0.002 . 3 . . . . . 116 Leu QD1 . 16775 1 1364 . 1 . 1 118 118 LEU HD13 H 1 0.837 0.002 . 3 . . . . . 116 Leu QD1 . 16775 1 1365 . 1 . 1 118 118 LEU HD21 H 1 0.86 0.005 . 3 . . . . . 116 Leu QD2 . 16775 1 1366 . 1 . 1 118 118 LEU HD22 H 1 0.86 0.005 . 3 . . . . . 116 Leu QD2 . 16775 1 1367 . 1 . 1 118 118 LEU HD23 H 1 0.86 0.005 . 3 . . . . . 116 Leu QD2 . 16775 1 1368 . 1 . 1 118 118 LEU CA C 13 56.381 0.059 . 1 . . . . . 116 Leu CA . 16775 1 1369 . 1 . 1 118 118 LEU CB C 13 40.149 0.054 . 1 . . . . . 116 Leu CB . 16775 1 1370 . 1 . 1 118 118 LEU CD1 C 13 25.559 0.075 . 2 . . . . . 116 Leu CD1 . 16775 1 1371 . 1 . 1 118 118 LEU CD2 C 13 23.69 0.051 . 2 . . . . . 116 Leu CD2 . 16775 1 1372 . 1 . 1 118 118 LEU N N 15 121.27 0.044 . 1 . . . . . 116 Leu N . 16775 1 1373 . 1 . 1 119 119 LYS H H 1 8.296 0.008 . 1 . . . . . 117 Lys H . 16775 1 1374 . 1 . 1 119 119 LYS HA H 1 3.699 0.004 . 1 . . . . . 117 Lys HA . 16775 1 1375 . 1 . 1 119 119 LYS HB2 H 1 1.69 0.007 . 2 . . . . . 117 Lys HB2 . 16775 1 1376 . 1 . 1 119 119 LYS HB3 H 1 1.484 0.006 . 2 . . . . . 117 Lys HB3 . 16775 1 1377 . 1 . 1 119 119 LYS HD2 H 1 1.686 0.002 . 2 . . . . . 117 Lys HD2 . 16775 1 1378 . 1 . 1 119 119 LYS HD3 H 1 1.559 0.002 . 2 . . . . . 117 Lys HD3 . 16775 1 1379 . 1 . 1 119 119 LYS HE2 H 1 3.021 0.007 . 2 . . . . . 117 Lys QE . 16775 1 1380 . 1 . 1 119 119 LYS HE3 H 1 3.021 0.007 . 2 . . . . . 117 Lys QE . 16775 1 1381 . 1 . 1 119 119 LYS HG2 H 1 1.399 0.008 . 2 . . . . . 117 Lys HG2 . 16775 1 1382 . 1 . 1 119 119 LYS HG3 H 1 1.323 0.004 . 2 . . . . . 117 Lys HG3 . 16775 1 1383 . 1 . 1 119 119 LYS CA C 13 58.518 0.096 . 1 . . . . . 117 Lys CA . 16775 1 1384 . 1 . 1 119 119 LYS CB C 13 31.221 0.016 . 1 . . . . . 117 Lys CB . 16775 1 1385 . 1 . 1 119 119 LYS CD C 13 28.241 0.027 . 1 . . . . . 117 Lys CD . 16775 1 1386 . 1 . 1 119 119 LYS CE C 13 40.757 0.086 . 1 . . . . . 117 Lys CE . 16775 1 1387 . 1 . 1 119 119 LYS CG C 13 24.375 0.080 . 1 . . . . . 117 Lys CG . 16775 1 1388 . 1 . 1 119 119 LYS N N 15 117.255 0.048 . 1 . . . . . 117 Lys N . 16775 1 1389 . 1 . 1 120 120 LYS H H 1 7.048 0.004 . 1 . . . . . 118 Lys H . 16775 1 1390 . 1 . 1 120 120 LYS HA H 1 4.031 0.005 . 1 . . . . . 118 Lys HA . 16775 1 1391 . 1 . 1 120 120 LYS HB2 H 1 1.968 0.005 . 2 . . . . . 118 Lys HB2 . 16775 1 1392 . 1 . 1 120 120 LYS HB3 H 1 1.859 0.004 . 2 . . . . . 118 Lys HB3 . 16775 1 1393 . 1 . 1 120 120 LYS HD2 H 1 1.761 0.003 . 2 . . . . . 118 Lys HD2 . 16775 1 1394 . 1 . 1 120 120 LYS HD3 H 1 1.645 0.005 . 2 . . . . . 118 Lys HD3 . 16775 1 1395 . 1 . 1 120 120 LYS HE2 H 1 3.026 0.003 . 2 . . . . . 118 Lys QE . 16775 1 1396 . 1 . 1 120 120 LYS HE3 H 1 3.026 0.003 . 2 . . . . . 118 Lys QE . 16775 1 1397 . 1 . 1 120 120 LYS HG2 H 1 1.434 0.010 . 2 . . . . . 118 Lys QG . 16775 1 1398 . 1 . 1 120 120 LYS HG3 H 1 1.434 0.010 . 2 . . . . . 118 Lys QG . 16775 1 1399 . 1 . 1 120 120 LYS CA C 13 57.782 0.108 . 1 . . . . . 118 Lys CA . 16775 1 1400 . 1 . 1 120 120 LYS CB C 13 30.827 0.063 . 1 . . . . . 118 Lys CB . 16775 1 1401 . 1 . 1 120 120 LYS CD C 13 27.573 0.042 . 1 . . . . . 118 Lys CD . 16775 1 1402 . 1 . 1 120 120 LYS CE C 13 41.043 0.099 . 1 . . . . . 118 Lys CE . 16775 1 1403 . 1 . 1 120 120 LYS CG C 13 23.669 0.047 . 1 . . . . . 118 Lys CG . 16775 1 1404 . 1 . 1 120 120 LYS N N 15 118.308 0.031 . 1 . . . . . 118 Lys N . 16775 1 1405 . 1 . 1 121 121 ILE H H 1 6.964 0.003 . 1 . . . . . 119 Ile H . 16775 1 1406 . 1 . 1 121 121 ILE HA H 1 3.263 0.003 . 1 . . . . . 119 Ile HA . 16775 1 1407 . 1 . 1 121 121 ILE HB H 1 1.659 0.002 . 1 . . . . . 119 Ile HB . 16775 1 1408 . 1 . 1 121 121 ILE HD11 H 1 0.666 0.004 . 3 . . . . . 119 Ile QD1 . 16775 1 1409 . 1 . 1 121 121 ILE HD12 H 1 0.666 0.004 . 3 . . . . . 119 Ile QD1 . 16775 1 1410 . 1 . 1 121 121 ILE HD13 H 1 0.666 0.004 . 3 . . . . . 119 Ile QD1 . 16775 1 1411 . 1 . 1 121 121 ILE HG12 H 1 1.704 0.003 . 2 . . . . . 119 Ile HG12 . 16775 1 1412 . 1 . 1 121 121 ILE HG13 H 1 0.743 0.005 . 2 . . . . . 119 Ile HG13 . 16775 1 1413 . 1 . 1 121 121 ILE HG21 H 1 -0.21 0.004 . 3 . . . . . 119 Ile QG2 . 16775 1 1414 . 1 . 1 121 121 ILE HG22 H 1 -0.21 0.004 . 3 . . . . . 119 Ile QG2 . 16775 1 1415 . 1 . 1 121 121 ILE HG23 H 1 -0.21 0.004 . 3 . . . . . 119 Ile QG2 . 16775 1 1416 . 1 . 1 121 121 ILE CA C 13 63.675 0.065 . 1 . . . . . 119 Ile CA . 16775 1 1417 . 1 . 1 121 121 ILE CB C 13 36.363 0.030 . 1 . . . . . 119 Ile CB . 16775 1 1418 . 1 . 1 121 121 ILE CD1 C 13 12.856 0.051 . 1 . . . . . 119 Ile CD1 . 16775 1 1419 . 1 . 1 121 121 ILE CG1 C 13 27.785 0.058 . 1 . . . . . 119 Ile CG1 . 16775 1 1420 . 1 . 1 121 121 ILE CG2 C 13 14.435 0.055 . 1 . . . . . 119 Ile CG2 . 16775 1 1421 . 1 . 1 121 121 ILE N N 15 118.333 0.033 . 1 . . . . . 119 Ile N . 16775 1 1422 . 1 . 1 122 122 LEU H H 1 6.572 0.004 . 1 . . . . . 120 Leu H . 16775 1 1423 . 1 . 1 122 122 LEU HA H 1 3.795 0.009 . 1 . . . . . 120 Leu HA . 16775 1 1424 . 1 . 1 122 122 LEU HB2 H 1 2.026 0.001 . 2 . . . . . 120 Leu HB2 . 16775 1 1425 . 1 . 1 122 122 LEU HB3 H 1 1.461 0.002 . 2 . . . . . 120 Leu HB3 . 16775 1 1426 . 1 . 1 122 122 LEU HD11 H 1 1.016 0.003 . 3 . . . . . 120 Leu QD1 . 16775 1 1427 . 1 . 1 122 122 LEU HD12 H 1 1.016 0.003 . 3 . . . . . 120 Leu QD1 . 16775 1 1428 . 1 . 1 122 122 LEU HD13 H 1 1.016 0.003 . 3 . . . . . 120 Leu QD1 . 16775 1 1429 . 1 . 1 122 122 LEU HD21 H 1 0.894 0.003 . 3 . . . . . 120 Leu QD2 . 16775 1 1430 . 1 . 1 122 122 LEU HD22 H 1 0.894 0.003 . 3 . . . . . 120 Leu QD2 . 16775 1 1431 . 1 . 1 122 122 LEU HD23 H 1 0.894 0.003 . 3 . . . . . 120 Leu QD2 . 16775 1 1432 . 1 . 1 122 122 LEU HG H 1 1.648 0.002 . 1 . . . . . 120 Leu HG . 16775 1 1433 . 1 . 1 122 122 LEU CA C 13 56.648 0.065 . 1 . . . . . 120 Leu CA . 16775 1 1434 . 1 . 1 122 122 LEU CB C 13 39.916 0.057 . 1 . . . . . 120 Leu CB . 16775 1 1435 . 1 . 1 122 122 LEU CD1 C 13 26.445 0.101 . 2 . . . . . 120 Leu CD1 . 16775 1 1436 . 1 . 1 122 122 LEU CD2 C 13 23.388 0.064 . 2 . . . . . 120 Leu CD2 . 16775 1 1437 . 1 . 1 122 122 LEU CG C 13 25.597 0.059 . 1 . . . . . 120 Leu CG . 16775 1 1438 . 1 . 1 122 122 LEU N N 15 115.382 0.031 . 1 . . . . . 120 Leu N . 16775 1 1439 . 1 . 1 123 123 ASP H H 1 8.85 0.009 . 1 . . . . . 121 Asp H . 16775 1 1440 . 1 . 1 123 123 ASP HA H 1 4.39 0.003 . 1 . . . . . 121 Asp HA . 16775 1 1441 . 1 . 1 123 123 ASP HB2 H 1 2.827 0.004 . 2 . . . . . 121 Asp HB2 . 16775 1 1442 . 1 . 1 123 123 ASP HB3 H 1 2.686 0.006 . 2 . . . . . 121 Asp HB3 . 16775 1 1443 . 1 . 1 123 123 ASP CA C 13 56.285 0.066 . 1 . . . . . 121 Asp CA . 16775 1 1444 . 1 . 1 123 123 ASP CB C 13 39.168 0.042 . 1 . . . . . 121 Asp CB . 16775 1 1445 . 1 . 1 123 123 ASP N N 15 120.978 0.057 . 1 . . . . . 121 Asp N . 16775 1 1446 . 1 . 1 124 124 ASP H H 1 8.553 0.008 . 1 . . . . . 122 Asp H . 16775 1 1447 . 1 . 1 124 124 ASP HA H 1 4.447 0.003 . 1 . . . . . 122 Asp HA . 16775 1 1448 . 1 . 1 124 124 ASP HB2 H 1 2.785 0.003 . 2 . . . . . 122 Asp HB2 . 16775 1 1449 . 1 . 1 124 124 ASP HB3 H 1 2.593 0.001 . 2 . . . . . 122 Asp HB3 . 16775 1 1450 . 1 . 1 124 124 ASP CA C 13 55.888 0.066 . 1 . . . . . 122 Asp CA . 16775 1 1451 . 1 . 1 124 124 ASP CB C 13 38.446 0.067 . 1 . . . . . 122 Asp CB . 16775 1 1452 . 1 . 1 124 124 ASP N N 15 122.295 0.049 . 1 . . . . . 122 Asp N . 16775 1 1453 . 1 . 1 125 125 TRP H H 1 7.467 0.004 . 1 . . . . . 123 Trp H . 16775 1 1454 . 1 . 1 125 125 TRP HA H 1 4.74 0.011 . 1 . . . . . 123 Trp HA . 16775 1 1455 . 1 . 1 125 125 TRP HB2 H 1 3.054 0.000 . 2 . . . . . 123 Trp HB2 . 16775 1 1456 . 1 . 1 125 125 TRP HB3 H 1 2.514 0.013 . 2 . . . . . 123 Trp HB3 . 16775 1 1457 . 1 . 1 125 125 TRP HD1 H 1 6.907 0.000 . 1 . . . . . 123 Trp HD1 . 16775 1 1458 . 1 . 1 125 125 TRP HE1 H 1 9.78 0.000 . 1 . . . . . 123 Trp HE1 . 16775 1 1459 . 1 . 1 125 125 TRP HE3 H 1 7.006 0.000 . 1 . . . . . 123 Trp HE3 . 16775 1 1460 . 1 . 1 125 125 TRP HH2 H 1 7.037 0.001 . 1 . . . . . 123 Trp HH2 . 16775 1 1461 . 1 . 1 125 125 TRP HZ2 H 1 7.3 0.000 . 1 . . . . . 123 Trp HZ2 . 16775 1 1462 . 1 . 1 125 125 TRP HZ3 H 1 7.152 0.000 . 1 . . . . . 123 Trp HZ3 . 16775 1 1463 . 1 . 1 125 125 TRP CA C 13 54.061 0.063 . 1 . . . . . 123 Trp CA . 16775 1 1464 . 1 . 1 125 125 TRP CB C 13 28.388 0.046 . 1 . . . . . 123 Trp CB . 16775 1 1465 . 1 . 1 125 125 TRP CD1 C 13 121.577 0.000 . 1 . . . . . 123 Trp CD1 . 16775 1 1466 . 1 . 1 125 125 TRP CE3 C 13 119.6 0.000 . 1 . . . . . 123 Trp CE3 . 16775 1 1467 . 1 . 1 125 125 TRP CH2 C 13 122.034 0.207 . 1 . . . . . 123 Trp CH2 . 16775 1 1468 . 1 . 1 125 125 TRP CZ2 C 13 112.884 0.000 . 1 . . . . . 123 Trp CZ2 . 16775 1 1469 . 1 . 1 125 125 TRP N N 15 119.794 0.036 . 1 . . . . . 123 Trp N . 16775 1 1470 . 1 . 1 125 125 TRP NE1 N 15 125.71 0.000 . 1 . . . . . 123 Trp NE1 . 16775 1 1471 . 1 . 1 126 126 GLY H H 1 8.178 0.005 . 1 . . . . . 124 Gly H . 16775 1 1472 . 1 . 1 126 126 GLY HA2 H 1 4.171 0.003 . 2 . . . . . 124 Gly HA2 . 16775 1 1473 . 1 . 1 126 126 GLY HA3 H 1 3.925 0.003 . 2 . . . . . 124 Gly HA3 . 16775 1 1474 . 1 . 1 126 126 GLY CA C 13 44.776 0.084 . 1 . . . . . 124 Gly CA . 16775 1 1475 . 1 . 1 126 126 GLY N N 15 108.451 0.049 . 1 . . . . . 124 Gly N . 16775 1 1476 . 1 . 1 127 127 GLU H H 1 8.091 0.007 . 1 . . . . . 125 Glu H . 16775 1 1477 . 1 . 1 127 127 GLU HA H 1 4.734 0.005 . 1 . . . . . 125 Glu HA . 16775 1 1478 . 1 . 1 127 127 GLU HB2 H 1 2.256 0.003 . 2 . . . . . 125 Glu HB2 . 16775 1 1479 . 1 . 1 127 127 GLU HB3 H 1 1.752 0.009 . 2 . . . . . 125 Glu HB3 . 16775 1 1480 . 1 . 1 127 127 GLU HG2 H 1 2.458 0.003 . 2 . . . . . 125 Glu HG2 . 16775 1 1481 . 1 . 1 127 127 GLU HG3 H 1 2.331 0.003 . 2 . . . . . 125 Glu HG3 . 16775 1 1482 . 1 . 1 127 127 GLU CA C 13 53.597 0.061 . 1 . . . . . 125 Glu CA . 16775 1 1483 . 1 . 1 127 127 GLU CB C 13 31.427 0.059 . 1 . . . . . 125 Glu CB . 16775 1 1484 . 1 . 1 127 127 GLU CG C 13 34.1 0.054 . 1 . . . . . 125 Glu CG . 16775 1 1485 . 1 . 1 127 127 GLU N N 15 119.773 0.037 . 1 . . . . . 125 Glu N . 16775 1 1486 . 1 . 1 128 128 THR H H 1 8.353 0.009 . 1 . . . . . 126 Thr H . 16775 1 1487 . 1 . 1 128 128 THR HA H 1 4.426 0.004 . 1 . . . . . 126 Thr HA . 16775 1 1488 . 1 . 1 128 128 THR HB H 1 4.141 0.003 . 1 . . . . . 126 Thr HB . 16775 1 1489 . 1 . 1 128 128 THR HG21 H 1 1.227 0.001 . 3 . . . . . 126 Thr QG2 . 16775 1 1490 . 1 . 1 128 128 THR HG22 H 1 1.227 0.001 . 3 . . . . . 126 Thr QG2 . 16775 1 1491 . 1 . 1 128 128 THR HG23 H 1 1.227 0.001 . 3 . . . . . 126 Thr QG2 . 16775 1 1492 . 1 . 1 128 128 THR CA C 13 59.734 0.087 . 1 . . . . . 126 Thr CA . 16775 1 1493 . 1 . 1 128 128 THR CB C 13 70.077 0.077 . 1 . . . . . 126 Thr CB . 16775 1 1494 . 1 . 1 128 128 THR CG2 C 13 20.112 0.032 . 1 . . . . . 126 Thr CG2 . 16775 1 1495 . 1 . 1 128 128 THR N N 15 112.87 0.042 . 1 . . . . . 126 Thr N . 16775 1 1496 . 1 . 1 129 129 CYS HB2 H 1 3.376 0.004 . 2 . . . . . 127 Cys QB . 16775 1 1497 . 1 . 1 129 129 CYS HB3 H 1 3.376 0.004 . 2 . . . . . 127 Cys QB . 16775 1 1498 . 1 . 1 129 129 CYS N N 15 125.337 0.158 . 1 . . . . . 127 Cys N . 16775 1 1499 . 1 . 1 130 130 LYS H H 1 8.789 0.009 . 1 . . . . . 128 Lys H . 16775 1 1500 . 1 . 1 130 130 LYS HA H 1 4.19 0.000 . 1 . . . . . 128 Lys HA . 16775 1 1501 . 1 . 1 130 130 LYS HB2 H 1 1.819 0.000 . 2 . . . . . 128 Lys QB . 16775 1 1502 . 1 . 1 130 130 LYS HB3 H 1 1.819 0.000 . 2 . . . . . 128 Lys QB . 16775 1 1503 . 1 . 1 130 130 LYS CA C 13 57.158 0.027 . 1 . . . . . 128 Lys CA . 16775 1 1504 . 1 . 1 130 130 LYS CB C 13 30.691 0.021 . 1 . . . . . 128 Lys CB . 16775 1 1505 . 1 . 1 130 130 LYS CD C 13 27.818 0.008 . 1 . . . . . 128 Lys CD . 16775 1 1506 . 1 . 1 130 130 LYS CE C 13 40.666 0.000 . 1 . . . . . 128 Lys CE . 16775 1 1507 . 1 . 1 130 130 LYS CG C 13 23.659 0.011 . 1 . . . . . 128 Lys CG . 16775 1 1508 . 1 . 1 131 131 GLY HA2 H 1 3.969 0.004 . 2 . . . . . 129 Gly HA2 . 16775 1 1509 . 1 . 1 131 131 GLY HA3 H 1 3.843 0.002 . 2 . . . . . 129 Gly HA3 . 16775 1 1510 . 1 . 1 131 131 GLY CA C 13 44.252 0.069 . 1 . . . . . 129 Gly CA . 16775 1 1511 . 1 . 1 132 132 CYS H H 1 7.353 0.005 . 1 . . . . . 130 Cys H . 16775 1 1512 . 1 . 1 132 132 CYS HA H 1 4.081 0.005 . 1 . . . . . 130 Cys HA . 16775 1 1513 . 1 . 1 132 132 CYS CA C 13 55.282 0.021 . 1 . . . . . 130 Cys CA . 16775 1 1514 . 1 . 1 132 132 CYS N N 15 118.489 0.019 . 1 . . . . . 130 Cys N . 16775 1 1515 . 1 . 1 133 133 ALA H H 1 9.277 0.000 . 1 . . . . . 131 Ala H . 16775 1 1516 . 1 . 1 133 133 ALA HA H 1 4.694 0.006 . 1 . . . . . 131 Ala HA . 16775 1 1517 . 1 . 1 133 133 ALA HB1 H 1 1.519 0.003 . 3 . . . . . 131 Ala QB . 16775 1 1518 . 1 . 1 133 133 ALA HB2 H 1 1.519 0.003 . 3 . . . . . 131 Ala QB . 16775 1 1519 . 1 . 1 133 133 ALA HB3 H 1 1.519 0.003 . 3 . . . . . 131 Ala QB . 16775 1 1520 . 1 . 1 133 133 ALA CA C 13 52.469 0.067 . 1 . . . . . 131 Ala CA . 16775 1 1521 . 1 . 1 133 133 ALA CB C 13 20.919 0.053 . 1 . . . . . 131 Ala CB . 16775 1 1522 . 1 . 1 133 133 ALA N N 15 126.184 0.029 . 1 . . . . . 131 Ala N . 16775 1 1523 . 1 . 1 134 134 GLU H H 1 8.27 0.006 . 1 . . . . . 132 Glu H . 16775 1 1524 . 1 . 1 134 134 GLU HA H 1 4.836 0.002 . 1 . . . . . 132 Glu HA . 16775 1 1525 . 1 . 1 134 134 GLU HB2 H 1 2.409 0.002 . 2 . . . . . 132 Glu HB2 . 16775 1 1526 . 1 . 1 134 134 GLU HB3 H 1 1.99 0.001 . 2 . . . . . 132 Glu HB3 . 16775 1 1527 . 1 . 1 134 134 GLU HG2 H 1 2.402 0.002 . 2 . . . . . 132 Glu QG . 16775 1 1528 . 1 . 1 134 134 GLU HG3 H 1 2.402 0.002 . 2 . . . . . 132 Glu QG . 16775 1 1529 . 1 . 1 134 134 GLU CA C 13 53.19 0.068 . 1 . . . . . 132 Glu CA . 16775 1 1530 . 1 . 1 134 134 GLU CB C 13 31.307 0.036 . 1 . . . . . 132 Glu CB . 16775 1 1531 . 1 . 1 134 134 GLU CG C 13 34.795 0.038 . 1 . . . . . 132 Glu CG . 16775 1 1532 . 1 . 1 134 134 GLU N N 15 117.521 0.059 . 1 . . . . . 132 Glu N . 16775 1 1533 . 1 . 1 135 135 LYS HA H 1 3.954 0.005 . 1 . . . . . 133 Lys HA . 16775 1 1534 . 1 . 1 135 135 LYS HB2 H 1 1.955 0.002 . 2 . . . . . 133 Lys QB . 16775 1 1535 . 1 . 1 135 135 LYS HB3 H 1 1.955 0.002 . 2 . . . . . 133 Lys QB . 16775 1 1536 . 1 . 1 135 135 LYS HD2 H 1 1.852 0.005 . 2 . . . . . 133 Lys QD . 16775 1 1537 . 1 . 1 135 135 LYS HD3 H 1 1.852 0.005 . 2 . . . . . 133 Lys QD . 16775 1 1538 . 1 . 1 135 135 LYS HE2 H 1 3.108 0.000 . 2 . . . . . 133 Lys QE . 16775 1 1539 . 1 . 1 135 135 LYS HE3 H 1 3.108 0.000 . 2 . . . . . 133 Lys QE . 16775 1 1540 . 1 . 1 135 135 LYS HG2 H 1 1.415 0.006 . 2 . . . . . 133 Lys QG . 16775 1 1541 . 1 . 1 135 135 LYS HG3 H 1 1.415 0.006 . 2 . . . . . 133 Lys QG . 16775 1 1542 . 1 . 1 135 135 LYS CA C 13 60.558 0.106 . 1 . . . . . 133 Lys CA . 16775 1 1543 . 1 . 1 135 135 LYS CB C 13 31.023 0.072 . 1 . . . . . 133 Lys CB . 16775 1 1544 . 1 . 1 135 135 LYS CD C 13 28.491 0.070 . 1 . . . . . 133 Lys CD . 16775 1 1545 . 1 . 1 135 135 LYS CE C 13 40.825 0.078 . 1 . . . . . 133 Lys CE . 16775 1 1546 . 1 . 1 135 135 LYS CG C 13 24.245 0.045 . 1 . . . . . 133 Lys CG . 16775 1 1547 . 1 . 1 135 135 LYS N N 15 123.507 0.040 . 1 . . . . . 133 Lys N . 16775 1 1548 . 1 . 1 136 136 SER H H 1 8.82 0.007 . 1 . . . . . 134 Ser H . 16775 1 1549 . 1 . 1 136 136 SER HA H 1 4.077 0.005 . 1 . . . . . 134 Ser HA . 16775 1 1550 . 1 . 1 136 136 SER HB2 H 1 3.984 0.021 . 2 . . . . . 134 Ser QB . 16775 1 1551 . 1 . 1 136 136 SER HB3 H 1 3.984 0.021 . 2 . . . . . 134 Ser QB . 16775 1 1552 . 1 . 1 136 136 SER CA C 13 60.574 0.060 . 1 . . . . . 134 Ser CA . 16775 1 1553 . 1 . 1 136 136 SER CB C 13 60.81 0.165 . 1 . . . . . 134 Ser CB . 16775 1 1554 . 1 . 1 136 136 SER N N 15 111.523 0.037 . 1 . . . . . 134 Ser N . 16775 1 1555 . 1 . 1 137 137 ASP H H 1 7.639 0.003 . 1 . . . . . 135 Asp H . 16775 1 1556 . 1 . 1 137 137 ASP HA H 1 4.452 0.005 . 1 . . . . . 135 Asp HA . 16775 1 1557 . 1 . 1 137 137 ASP HB2 H 1 2.905 0.005 . 2 . . . . . 135 Asp QB . 16775 1 1558 . 1 . 1 137 137 ASP HB3 H 1 2.905 0.005 . 2 . . . . . 135 Asp QB . 16775 1 1559 . 1 . 1 137 137 ASP CA C 13 56.207 0.070 . 1 . . . . . 135 Asp CA . 16775 1 1560 . 1 . 1 137 137 ASP CB C 13 39.716 0.055 . 1 . . . . . 135 Asp CB . 16775 1 1561 . 1 . 1 137 137 ASP N N 15 121.927 0.032 . 1 . . . . . 135 Asp N . 16775 1 1562 . 1 . 1 138 138 TYR H H 1 7.334 0.004 . 1 . . . . . 136 Tyr H . 16775 1 1563 . 1 . 1 138 138 TYR HA H 1 4.153 0.003 . 1 . . . . . 136 Tyr HA . 16775 1 1564 . 1 . 1 138 138 TYR HB2 H 1 3.188 0.007 . 2 . . . . . 136 Tyr HB2 . 16775 1 1565 . 1 . 1 138 138 TYR HB3 H 1 2.767 0.004 . 2 . . . . . 136 Tyr HB3 . 16775 1 1566 . 1 . 1 138 138 TYR HD1 H 1 7.013 0.004 . 3 . . . . . 136 Tyr QD . 16775 1 1567 . 1 . 1 138 138 TYR HD2 H 1 7.013 0.004 . 3 . . . . . 136 Tyr QD . 16775 1 1568 . 1 . 1 138 138 TYR HE1 H 1 6.605 0.000 . 3 . . . . . 136 Tyr QE . 16775 1 1569 . 1 . 1 138 138 TYR HE2 H 1 6.605 0.000 . 3 . . . . . 136 Tyr QE . 16775 1 1570 . 1 . 1 138 138 TYR CA C 13 61.084 0.099 . 1 . . . . . 136 Tyr CA . 16775 1 1571 . 1 . 1 138 138 TYR CB C 13 38.884 0.055 . 1 . . . . . 136 Tyr CB . 16775 1 1572 . 1 . 1 138 138 TYR CD1 C 13 131.689 0.090 . 3 . . . . . 136 Tyr CD1 . 16775 1 1573 . 1 . 1 138 138 TYR CD2 C 13 131.689 0.090 . 3 . . . . . 136 Tyr CD2 . 16775 1 1574 . 1 . 1 138 138 TYR CE1 C 13 116.847 0.000 . 3 . . . . . 136 Tyr CE1 . 16775 1 1575 . 1 . 1 138 138 TYR CE2 C 13 116.847 0.000 . 3 . . . . . 136 Tyr CE2 . 16775 1 1576 . 1 . 1 138 138 TYR N N 15 118.008 0.065 . 1 . . . . . 136 Tyr N . 16775 1 1577 . 1 . 1 139 139 ILE H H 1 8.165 0.007 . 1 . . . . . 137 Ile H . 16775 1 1578 . 1 . 1 139 139 ILE HA H 1 3.531 0.003 . 1 . . . . . 137 Ile HA . 16775 1 1579 . 1 . 1 139 139 ILE HB H 1 1.841 0.003 . 1 . . . . . 137 Ile HB . 16775 1 1580 . 1 . 1 139 139 ILE HD11 H 1 0.807 0.003 . 3 . . . . . 137 Ile QD1 . 16775 1 1581 . 1 . 1 139 139 ILE HD12 H 1 0.807 0.003 . 3 . . . . . 137 Ile QD1 . 16775 1 1582 . 1 . 1 139 139 ILE HD13 H 1 0.807 0.003 . 3 . . . . . 137 Ile QD1 . 16775 1 1583 . 1 . 1 139 139 ILE HG12 H 1 1.888 0.006 . 2 . . . . . 137 Ile HG12 . 16775 1 1584 . 1 . 1 139 139 ILE HG13 H 1 0.885 0.006 . 2 . . . . . 137 Ile HG13 . 16775 1 1585 . 1 . 1 139 139 ILE HG21 H 1 0.956 0.005 . 3 . . . . . 137 Ile QG2 . 16775 1 1586 . 1 . 1 139 139 ILE HG22 H 1 0.956 0.005 . 3 . . . . . 137 Ile QG2 . 16775 1 1587 . 1 . 1 139 139 ILE HG23 H 1 0.956 0.005 . 3 . . . . . 137 Ile QG2 . 16775 1 1588 . 1 . 1 139 139 ILE CA C 13 65.283 0.061 . 1 . . . . . 137 Ile CA . 16775 1 1589 . 1 . 1 139 139 ILE CB C 13 37.09 0.042 . 1 . . . . . 137 Ile CB . 16775 1 1590 . 1 . 1 139 139 ILE CD1 C 13 12.433 0.049 . 1 . . . . . 137 Ile CD1 . 16775 1 1591 . 1 . 1 139 139 ILE CG1 C 13 29.454 0.043 . 1 . . . . . 137 Ile CG1 . 16775 1 1592 . 1 . 1 139 139 ILE CG2 C 13 15.609 0.046 . 1 . . . . . 137 Ile CG2 . 16775 1 1593 . 1 . 1 139 139 ILE N N 15 118.948 0.049 . 1 . . . . . 137 Ile N . 16775 1 1594 . 1 . 1 140 140 ARG H H 1 7.929 0.004 . 1 . . . . . 138 Arg H . 16775 1 1595 . 1 . 1 140 140 ARG HA H 1 4.14 0.003 . 1 . . . . . 138 Arg HA . 16775 1 1596 . 1 . 1 140 140 ARG HB2 H 1 2.024 0.006 . 2 . . . . . 138 Arg QB . 16775 1 1597 . 1 . 1 140 140 ARG HB3 H 1 2.024 0.006 . 2 . . . . . 138 Arg QB . 16775 1 1598 . 1 . 1 140 140 ARG HD2 H 1 3.319 0.003 . 2 . . . . . 138 Arg QD . 16775 1 1599 . 1 . 1 140 140 ARG HD3 H 1 3.319 0.003 . 2 . . . . . 138 Arg QD . 16775 1 1600 . 1 . 1 140 140 ARG HG2 H 1 1.873 0.001 . 2 . . . . . 138 Arg HG2 . 16775 1 1601 . 1 . 1 140 140 ARG HG3 H 1 1.682 0.003 . 2 . . . . . 138 Arg HG3 . 16775 1 1602 . 1 . 1 140 140 ARG CA C 13 58.731 0.073 . 1 . . . . . 138 Arg CA . 16775 1 1603 . 1 . 1 140 140 ARG CB C 13 28.904 0.069 . 1 . . . . . 138 Arg CB . 16775 1 1604 . 1 . 1 140 140 ARG CD C 13 42.234 0.061 . 1 . . . . . 138 Arg CD . 16775 1 1605 . 1 . 1 140 140 ARG CG C 13 26.628 0.043 . 1 . . . . . 138 Arg CG . 16775 1 1606 . 1 . 1 140 140 ARG N N 15 118.486 0.040 . 1 . . . . . 138 Arg N . 16775 1 1607 . 1 . 1 141 141 LYS H H 1 7.442 0.003 . 1 . . . . . 139 Lys H . 16775 1 1608 . 1 . 1 141 141 LYS HA H 1 4.308 0.003 . 1 . . . . . 139 Lys HA . 16775 1 1609 . 1 . 1 141 141 LYS HB2 H 1 2.094 0.006 . 2 . . . . . 139 Lys HB2 . 16775 1 1610 . 1 . 1 141 141 LYS HB3 H 1 1.998 0.003 . 2 . . . . . 139 Lys HB3 . 16775 1 1611 . 1 . 1 141 141 LYS HD2 H 1 1.999 0.004 . 2 . . . . . 139 Lys HD2 . 16775 1 1612 . 1 . 1 141 141 LYS HD3 H 1 1.916 0.003 . 2 . . . . . 139 Lys HD3 . 16775 1 1613 . 1 . 1 141 141 LYS HE2 H 1 3.163 0.004 . 2 . . . . . 139 Lys HE2 . 16775 1 1614 . 1 . 1 141 141 LYS HE3 H 1 3.021 0.000 . 2 . . . . . 139 Lys HE3 . 16775 1 1615 . 1 . 1 141 141 LYS HG2 H 1 1.611 0.007 . 2 . . . . . 139 Lys QG . 16775 1 1616 . 1 . 1 141 141 LYS HG3 H 1 1.611 0.007 . 2 . . . . . 139 Lys QG . 16775 1 1617 . 1 . 1 141 141 LYS CA C 13 56.493 0.053 . 1 . . . . . 139 Lys CA . 16775 1 1618 . 1 . 1 141 141 LYS CB C 13 30.398 0.068 . 1 . . . . . 139 Lys CB . 16775 1 1619 . 1 . 1 141 141 LYS CD C 13 26.184 0.049 . 1 . . . . . 139 Lys CD . 16775 1 1620 . 1 . 1 141 141 LYS CE C 13 40.605 0.055 . 1 . . . . . 139 Lys CE . 16775 1 1621 . 1 . 1 141 141 LYS CG C 13 23.4 0.059 . 1 . . . . . 139 Lys CG . 16775 1 1622 . 1 . 1 141 141 LYS N N 15 119.194 0.053 . 1 . . . . . 139 Lys N . 16775 1 1623 . 1 . 1 142 142 ILE H H 1 8.603 0.006 . 1 . . . . . 140 Ile H . 16775 1 1624 . 1 . 1 142 142 ILE HA H 1 3.876 0.004 . 1 . . . . . 140 Ile HA . 16775 1 1625 . 1 . 1 142 142 ILE HB H 1 1.936 0.003 . 1 . . . . . 140 Ile HB . 16775 1 1626 . 1 . 1 142 142 ILE HD11 H 1 0.926 0.002 . 3 . . . . . 140 Ile QD1 . 16775 1 1627 . 1 . 1 142 142 ILE HD12 H 1 0.926 0.002 . 3 . . . . . 140 Ile QD1 . 16775 1 1628 . 1 . 1 142 142 ILE HD13 H 1 0.926 0.002 . 3 . . . . . 140 Ile QD1 . 16775 1 1629 . 1 . 1 142 142 ILE HG12 H 1 1.939 0.003 . 2 . . . . . 140 Ile HG12 . 16775 1 1630 . 1 . 1 142 142 ILE HG13 H 1 0.788 0.004 . 2 . . . . . 140 Ile HG13 . 16775 1 1631 . 1 . 1 142 142 ILE HG21 H 1 1.063 0.005 . 3 . . . . . 140 Ile QG2 . 16775 1 1632 . 1 . 1 142 142 ILE HG22 H 1 1.063 0.005 . 3 . . . . . 140 Ile QG2 . 16775 1 1633 . 1 . 1 142 142 ILE HG23 H 1 1.063 0.005 . 3 . . . . . 140 Ile QG2 . 16775 1 1634 . 1 . 1 142 142 ILE CA C 13 65.291 0.059 . 1 . . . . . 140 Ile CA . 16775 1 1635 . 1 . 1 142 142 ILE CB C 13 37.103 0.041 . 1 . . . . . 140 Ile CB . 16775 1 1636 . 1 . 1 142 142 ILE CD1 C 13 14.802 0.029 . 1 . . . . . 140 Ile CD1 . 16775 1 1637 . 1 . 1 142 142 ILE CG1 C 13 30.118 0.044 . 1 . . . . . 140 Ile CG1 . 16775 1 1638 . 1 . 1 142 142 ILE CG2 C 13 16.991 0.030 . 1 . . . . . 140 Ile CG2 . 16775 1 1639 . 1 . 1 142 142 ILE N N 15 119.465 0.047 . 1 . . . . . 140 Ile N . 16775 1 1640 . 1 . 1 143 143 ASN H H 1 8.595 0.005 . 1 . . . . . 141 Asn H . 16775 1 1641 . 1 . 1 143 143 ASN HA H 1 4.627 0.003 . 1 . . . . . 141 Asn HA . 16775 1 1642 . 1 . 1 143 143 ASN HB2 H 1 3.01 0.002 . 2 . . . . . 141 Asn HB2 . 16775 1 1643 . 1 . 1 143 143 ASN HB3 H 1 2.819 0.003 . 2 . . . . . 141 Asn HB3 . 16775 1 1644 . 1 . 1 143 143 ASN HD21 H 1 7.265 0.000 . 2 . . . . . 141 Asn HD21 . 16775 1 1645 . 1 . 1 143 143 ASN HD22 H 1 6.631 0.000 . 2 . . . . . 141 Asn HD22 . 16775 1 1646 . 1 . 1 143 143 ASN CA C 13 55.298 0.052 . 1 . . . . . 141 Asn CA . 16775 1 1647 . 1 . 1 143 143 ASN CB C 13 37.17 0.039 . 1 . . . . . 141 Asn CB . 16775 1 1648 . 1 . 1 143 143 ASN N N 15 117.311 0.044 . 1 . . . . . 141 Asn N . 16775 1 1649 . 1 . 1 143 143 ASN ND2 N 15 109.715 0.001 . 1 . . . . . 141 Asn ND2 . 16775 1 1650 . 1 . 1 144 144 GLU H H 1 8.043 0.005 . 1 . . . . . 142 Glu H . 16775 1 1651 . 1 . 1 144 144 GLU HA H 1 4.34 0.005 . 1 . . . . . 142 Glu HA . 16775 1 1652 . 1 . 1 144 144 GLU HB2 H 1 2.242 0.001 . 2 . . . . . 142 Glu HB2 . 16775 1 1653 . 1 . 1 144 144 GLU HB3 H 1 1.972 0.006 . 2 . . . . . 142 Glu HB3 . 16775 1 1654 . 1 . 1 144 144 GLU HG2 H 1 2.394 0.002 . 2 . . . . . 142 Glu HG2 . 16775 1 1655 . 1 . 1 144 144 GLU HG3 H 1 2.302 0.004 . 2 . . . . . 142 Glu HG3 . 16775 1 1656 . 1 . 1 144 144 GLU CA C 13 55.686 0.050 . 1 . . . . . 142 Glu CA . 16775 1 1657 . 1 . 1 144 144 GLU CB C 13 28.852 0.086 . 1 . . . . . 142 Glu CB . 16775 1 1658 . 1 . 1 144 144 GLU CG C 13 35.004 0.051 . 1 . . . . . 142 Glu CG . 16775 1 1659 . 1 . 1 144 144 GLU N N 15 119.528 0.032 . 1 . . . . . 142 Glu N . 16775 1 1660 . 1 . 1 145 145 LEU H H 1 7.876 0.006 . 1 . . . . . 143 Leu H . 16775 1 1661 . 1 . 1 145 145 LEU HA H 1 4.418 0.003 . 1 . . . . . 143 Leu HA . 16775 1 1662 . 1 . 1 145 145 LEU HB2 H 1 2.21 0.008 . 2 . . . . . 143 Leu HB2 . 16775 1 1663 . 1 . 1 145 145 LEU HB3 H 1 1.643 0.006 . 2 . . . . . 143 Leu HB3 . 16775 1 1664 . 1 . 1 145 145 LEU HD11 H 1 1.069 0.004 . 3 . . . . . 143 Leu QD1 . 16775 1 1665 . 1 . 1 145 145 LEU HD12 H 1 1.069 0.004 . 3 . . . . . 143 Leu QD1 . 16775 1 1666 . 1 . 1 145 145 LEU HD13 H 1 1.069 0.004 . 3 . . . . . 143 Leu QD1 . 16775 1 1667 . 1 . 1 145 145 LEU HD21 H 1 1.011 0.004 . 3 . . . . . 143 Leu QD2 . 16775 1 1668 . 1 . 1 145 145 LEU HD22 H 1 1.011 0.004 . 3 . . . . . 143 Leu QD2 . 16775 1 1669 . 1 . 1 145 145 LEU HD23 H 1 1.011 0.004 . 3 . . . . . 143 Leu QD2 . 16775 1 1670 . 1 . 1 145 145 LEU HG H 1 2.078 0.003 . 1 . . . . . 143 Leu HG . 16775 1 1671 . 1 . 1 145 145 LEU CA C 13 54.189 0.047 . 1 . . . . . 143 Leu CA . 16775 1 1672 . 1 . 1 145 145 LEU CB C 13 42.935 0.022 . 1 . . . . . 143 Leu CB . 16775 1 1673 . 1 . 1 145 145 LEU CD1 C 13 25.526 0.056 . 2 . . . . . 143 Leu CD1 . 16775 1 1674 . 1 . 1 145 145 LEU CD2 C 13 21.316 0.049 . 2 . . . . . 143 Leu CD2 . 16775 1 1675 . 1 . 1 145 145 LEU CG C 13 25.611 0.032 . 1 . . . . . 143 Leu CG . 16775 1 1676 . 1 . 1 145 145 LEU N N 15 116.85 0.903 . 1 . . . . . 143 Leu N . 16775 1 1677 . 1 . 1 146 146 MET H H 1 8.387 0.005 . 1 . . . . . 144 Met H . 16775 1 1678 . 1 . 1 146 146 MET HA H 1 4.118 0.007 . 1 . . . . . 144 Met HA . 16775 1 1679 . 1 . 1 146 146 MET HB2 H 1 2.707 0.008 . 2 . . . . . 144 Met HB2 . 16775 1 1680 . 1 . 1 146 146 MET HB3 H 1 2.263 0.003 . 2 . . . . . 144 Met HB3 . 16775 1 1681 . 1 . 1 146 146 MET HE1 H 1 2.223 0.000 . 3 . . . . . 144 Met QE . 16775 1 1682 . 1 . 1 146 146 MET HE2 H 1 2.223 0.000 . 3 . . . . . 144 Met QE . 16775 1 1683 . 1 . 1 146 146 MET HE3 H 1 2.223 0.000 . 3 . . . . . 144 Met QE . 16775 1 1684 . 1 . 1 146 146 MET HG2 H 1 2.899 0.002 . 2 . . . . . 144 Met HG2 . 16775 1 1685 . 1 . 1 146 146 MET HG3 H 1 2.847 0.002 . 2 . . . . . 144 Met HG3 . 16775 1 1686 . 1 . 1 146 146 MET CA C 13 59.488 0.056 . 1 . . . . . 144 Met CA . 16775 1 1687 . 1 . 1 146 146 MET CB C 13 29.976 0.030 . 1 . . . . . 144 Met CB . 16775 1 1688 . 1 . 1 146 146 MET CE C 13 15.692 0.000 . 1 . . . . . 144 Met CE . 16775 1 1689 . 1 . 1 146 146 MET CG C 13 31.573 0.049 . 1 . . . . . 144 Met CG . 16775 1 1690 . 1 . 1 146 146 MET N N 15 122.178 0.083 . 1 . . . . . 144 Met N . 16775 1 1691 . 1 . 1 147 147 PRO HA H 1 4.183 0.007 . 1 . . . . . 145 Pro HA . 16775 1 1692 . 1 . 1 147 147 PRO HB2 H 1 2.368 0.001 . 2 . . . . . 145 Pro HB2 . 16775 1 1693 . 1 . 1 147 147 PRO HB3 H 1 1.748 0.002 . 2 . . . . . 145 Pro HB3 . 16775 1 1694 . 1 . 1 147 147 PRO HD2 H 1 3.773 0.002 . 2 . . . . . 145 Pro HD2 . 16775 1 1695 . 1 . 1 147 147 PRO HD3 H 1 3.563 0.002 . 2 . . . . . 145 Pro HD3 . 16775 1 1696 . 1 . 1 147 147 PRO HG2 H 1 2.096 0.005 . 2 . . . . . 145 Pro HG2 . 16775 1 1697 . 1 . 1 147 147 PRO HG3 H 1 1.938 0.001 . 2 . . . . . 145 Pro HG3 . 16775 1 1698 . 1 . 1 147 147 PRO CA C 13 64.617 0.051 . 1 . . . . . 145 Pro CA . 16775 1 1699 . 1 . 1 147 147 PRO CB C 13 29.983 0.042 . 1 . . . . . 145 Pro CB . 16775 1 1700 . 1 . 1 147 147 PRO CD C 13 49.602 0.063 . 1 . . . . . 145 Pro CD . 16775 1 1701 . 1 . 1 147 147 PRO CG C 13 27.181 0.048 . 1 . . . . . 145 Pro CG . 16775 1 1702 . 1 . 1 147 147 PRO N N 15 133.106 0.307 . 1 . . . . . 145 Pro N . 16775 1 1703 . 1 . 1 148 148 LYS H H 1 7.351 0.005 . 1 . . . . . 146 Lys H . 16775 1 1704 . 1 . 1 148 148 LYS HA H 1 3.966 0.004 . 1 . . . . . 146 Lys HA . 16775 1 1705 . 1 . 1 148 148 LYS HB2 H 1 1.542 0.002 . 2 . . . . . 146 Lys HB2 . 16775 1 1706 . 1 . 1 148 148 LYS HB3 H 1 1.426 0.001 . 2 . . . . . 146 Lys HB3 . 16775 1 1707 . 1 . 1 148 148 LYS HD2 H 1 1.494 0.002 . 2 . . . . . 146 Lys HD2 . 16775 1 1708 . 1 . 1 148 148 LYS HD3 H 1 1.378 0.004 . 2 . . . . . 146 Lys HD3 . 16775 1 1709 . 1 . 1 148 148 LYS HE2 H 1 2.796 0.001 . 2 . . . . . 146 Lys QE . 16775 1 1710 . 1 . 1 148 148 LYS HE3 H 1 2.796 0.001 . 2 . . . . . 146 Lys QE . 16775 1 1711 . 1 . 1 148 148 LYS HG2 H 1 1.069 0.014 . 2 . . . . . 146 Lys HG2 . 16775 1 1712 . 1 . 1 148 148 LYS HG3 H 1 0.53 0.037 . 2 . . . . . 146 Lys HG3 . 16775 1 1713 . 1 . 1 148 148 LYS CA C 13 56.474 0.052 . 1 . . . . . 146 Lys CA . 16775 1 1714 . 1 . 1 148 148 LYS CB C 13 31.516 0.075 . 1 . . . . . 146 Lys CB . 16775 1 1715 . 1 . 1 148 148 LYS CD C 13 28.358 0.036 . 1 . . . . . 146 Lys CD . 16775 1 1716 . 1 . 1 148 148 LYS CE C 13 40.69 0.074 . 1 . . . . . 146 Lys CE . 16775 1 1717 . 1 . 1 148 148 LYS CG C 13 23.557 0.040 . 1 . . . . . 146 Lys CG . 16775 1 1718 . 1 . 1 148 148 LYS N N 15 114.718 0.053 . 1 . . . . . 146 Lys N . 16775 1 1719 . 1 . 1 149 149 TYR H H 1 6.961 0.002 . 1 . . . . . 147 Tyr H . 16775 1 1720 . 1 . 1 149 149 TYR HA H 1 4.218 0.006 . 1 . . . . . 147 Tyr HA . 16775 1 1721 . 1 . 1 149 149 TYR HB2 H 1 2.26 0.018 . 2 . . . . . 147 Tyr HB2 . 16775 1 1722 . 1 . 1 149 149 TYR HB3 H 1 1.074 0.017 . 2 . . . . . 147 Tyr HB3 . 16775 1 1723 . 1 . 1 149 149 TYR HD1 H 1 6.517 0.003 . 3 . . . . . 147 Tyr QD . 16775 1 1724 . 1 . 1 149 149 TYR HD2 H 1 6.517 0.003 . 3 . . . . . 147 Tyr QD . 16775 1 1725 . 1 . 1 149 149 TYR HE1 H 1 6.678 0.009 . 3 . . . . . 147 Tyr QE . 16775 1 1726 . 1 . 1 149 149 TYR HE2 H 1 6.678 0.009 . 3 . . . . . 147 Tyr QE . 16775 1 1727 . 1 . 1 149 149 TYR CA C 13 57.955 0.059 . 1 . . . . . 147 Tyr CA . 16775 1 1728 . 1 . 1 149 149 TYR CB C 13 37.879 0.056 . 1 . . . . . 147 Tyr CB . 16775 1 1729 . 1 . 1 149 149 TYR CD1 C 13 131.454 0.018 . 3 . . . . . 147 Tyr CD1 . 16775 1 1730 . 1 . 1 149 149 TYR CD2 C 13 131.454 0.018 . 3 . . . . . 147 Tyr CD2 . 16775 1 1731 . 1 . 1 149 149 TYR CE1 C 13 116.486 0.006 . 3 . . . . . 147 Tyr CE1 . 16775 1 1732 . 1 . 1 149 149 TYR CE2 C 13 116.486 0.006 . 3 . . . . . 147 Tyr CE2 . 16775 1 1733 . 1 . 1 149 149 TYR N N 15 115.33 0.038 . 1 . . . . . 147 Tyr N . 16775 1 1734 . 1 . 1 150 150 ALA H H 1 8.459 0.005 . 1 . . . . . 148 Ala H . 16775 1 1735 . 1 . 1 150 150 ALA HA H 1 4.825 0.004 . 1 . . . . . 148 Ala HA . 16775 1 1736 . 1 . 1 150 150 ALA HB1 H 1 1.506 0.003 . 3 . . . . . 148 Ala QB . 16775 1 1737 . 1 . 1 150 150 ALA HB2 H 1 1.506 0.003 . 3 . . . . . 148 Ala QB . 16775 1 1738 . 1 . 1 150 150 ALA HB3 H 1 1.506 0.003 . 3 . . . . . 148 Ala QB . 16775 1 1739 . 1 . 1 150 150 ALA CA C 13 49.575 0.071 . 1 . . . . . 148 Ala CA . 16775 1 1740 . 1 . 1 150 150 ALA CB C 13 17.732 0.046 . 1 . . . . . 148 Ala CB . 16775 1 1741 . 1 . 1 150 150 ALA N N 15 124.482 0.03 . 1 . . . . . 148 Ala N . 16775 1 1742 . 1 . 1 151 151 PRO HA H 1 4.334 0.006 . 1 . . . . . 149 Pro HA . 16775 1 1743 . 1 . 1 151 151 PRO HB2 H 1 2.428 0.003 . 2 . . . . . 149 Pro HB2 . 16775 1 1744 . 1 . 1 151 151 PRO HB3 H 1 1.967 0.001 . 2 . . . . . 149 Pro HB3 . 16775 1 1745 . 1 . 1 151 151 PRO HD2 H 1 3.632 0.003 . 2 . . . . . 149 Pro HD2 . 16775 1 1746 . 1 . 1 151 151 PRO HD3 H 1 3.442 0.008 . 2 . . . . . 149 Pro HD3 . 16775 1 1747 . 1 . 1 151 151 PRO HG2 H 1 2.028 0.008 . 2 . . . . . 149 Pro QG . 16775 1 1748 . 1 . 1 151 151 PRO HG3 H 1 2.028 0.008 . 2 . . . . . 149 Pro QG . 16775 1 1749 . 1 . 1 151 151 PRO CA C 13 63.097 0.063 . 1 . . . . . 149 Pro CA . 16775 1 1750 . 1 . 1 151 151 PRO CB C 13 30.634 0.026 . 1 . . . . . 149 Pro CB . 16775 1 1751 . 1 . 1 151 151 PRO CD C 13 49.188 0.038 . 1 . . . . . 149 Pro CD . 16775 1 1752 . 1 . 1 151 151 PRO CG C 13 26.277 0.062 . 1 . . . . . 149 Pro CG . 16775 1 1753 . 1 . 1 151 151 PRO N N 15 136.75 0.327 . 1 . . . . . 149 Pro N . 16775 1 1754 . 1 . 1 152 152 LYS H H 1 8.326 0.008 . 1 . . . . . 150 Lys H . 16775 1 1755 . 1 . 1 152 152 LYS HA H 1 4.274 0.007 . 1 . . . . . 150 Lys HA . 16775 1 1756 . 1 . 1 152 152 LYS HB2 H 1 1.877 0.009 . 2 . . . . . 150 Lys QB . 16775 1 1757 . 1 . 1 152 152 LYS HB3 H 1 1.877 0.009 . 2 . . . . . 150 Lys QB . 16775 1 1758 . 1 . 1 152 152 LYS HD2 H 1 1.753 0.005 . 2 . . . . . 150 Lys QD . 16775 1 1759 . 1 . 1 152 152 LYS HD3 H 1 1.753 0.005 . 2 . . . . . 150 Lys QD . 16775 1 1760 . 1 . 1 152 152 LYS HE2 H 1 3.038 0.009 . 2 . . . . . 150 Lys QE . 16775 1 1761 . 1 . 1 152 152 LYS HE3 H 1 3.038 0.009 . 2 . . . . . 150 Lys QE . 16775 1 1762 . 1 . 1 152 152 LYS HG2 H 1 1.553 0.000 . 2 . . . . . 150 Lys HG2 . 16775 1 1763 . 1 . 1 152 152 LYS HG3 H 1 1.499 0.000 . 2 . . . . . 150 Lys HG3 . 16775 1 1764 . 1 . 1 152 152 LYS CA C 13 56.059 0.064 . 1 . . . . . 150 Lys CA . 16775 1 1765 . 1 . 1 152 152 LYS CB C 13 31.327 0.060 . 1 . . . . . 150 Lys CB . 16775 1 1766 . 1 . 1 152 152 LYS CD C 13 27.73 0.038 . 1 . . . . . 150 Lys CD . 16775 1 1767 . 1 . 1 152 152 LYS CE C 13 40.784 0.082 . 1 . . . . . 150 Lys CE . 16775 1 1768 . 1 . 1 152 152 LYS CG C 13 23.753 0.069 . 1 . . . . . 150 Lys CG . 16775 1 1769 . 1 . 1 152 152 LYS N N 15 119.671 0.089 . 1 . . . . . 150 Lys N . 16775 1 1770 . 1 . 1 153 153 ALA H H 1 7.966 0.005 . 1 . . . . . 151 Ala H . 16775 1 1771 . 1 . 1 153 153 ALA HA H 1 4.307 0.004 . 1 . . . . . 151 Ala HA . 16775 1 1772 . 1 . 1 153 153 ALA HB1 H 1 1.483 0.004 . 3 . . . . . 151 Ala QB . 16775 1 1773 . 1 . 1 153 153 ALA HB2 H 1 1.483 0.004 . 3 . . . . . 151 Ala QB . 16775 1 1774 . 1 . 1 153 153 ALA HB3 H 1 1.483 0.004 . 3 . . . . . 151 Ala QB . 16775 1 1775 . 1 . 1 153 153 ALA CA C 13 52.027 0.058 . 1 . . . . . 151 Ala CA . 16775 1 1776 . 1 . 1 153 153 ALA CB C 13 18.027 0.092 . 1 . . . . . 151 Ala CB . 16775 1 1777 . 1 . 1 153 153 ALA N N 15 124.201 0.064 . 1 . . . . . 151 Ala N . 16775 1 1778 . 1 . 1 154 154 ALA H H 1 8.192 0.009 . 1 . . . . . 152 Ala H . 16775 1 1779 . 1 . 1 154 154 ALA HA H 1 4.289 0.007 . 1 . . . . . 152 Ala HA . 16775 1 1780 . 1 . 1 154 154 ALA HB1 H 1 1.419 0.003 . 3 . . . . . 152 Ala QB . 16775 1 1781 . 1 . 1 154 154 ALA HB2 H 1 1.419 0.003 . 3 . . . . . 152 Ala QB . 16775 1 1782 . 1 . 1 154 154 ALA HB3 H 1 1.419 0.003 . 3 . . . . . 152 Ala QB . 16775 1 1783 . 1 . 1 154 154 ALA CA C 13 52.24 0.072 . 1 . . . . . 152 Ala CA . 16775 1 1784 . 1 . 1 154 154 ALA CB C 13 17.717 0.106 . 1 . . . . . 152 Ala CB . 16775 1 1785 . 1 . 1 154 154 ALA N N 15 121.571 0.138 . 1 . . . . . 152 Ala N . 16775 1 1786 . 1 . 1 155 155 SER H H 1 8.035 0.006 . 1 . . . . . 153 Ser H . 16775 1 1787 . 1 . 1 155 155 SER HA H 1 4.42 0.007 . 1 . . . . . 153 Ser HA . 16775 1 1788 . 1 . 1 155 155 SER HB2 H 1 3.961 0.003 . 2 . . . . . 153 Ser QB . 16775 1 1789 . 1 . 1 155 155 SER HB3 H 1 3.961 0.003 . 2 . . . . . 153 Ser QB . 16775 1 1790 . 1 . 1 155 155 SER CA C 13 57.849 0.062 . 1 . . . . . 153 Ser CA . 16775 1 1791 . 1 . 1 155 155 SER CB C 13 62.483 0.052 . 1 . . . . . 153 Ser CB . 16775 1 1792 . 1 . 1 155 155 SER N N 15 113.38 0.069 . 1 . . . . . 153 Ser N . 16775 1 1793 . 1 . 1 156 156 ALA H H 1 7.966 0.007 . 1 . . . . . 154 Ala H . 16775 1 1794 . 1 . 1 156 156 ALA HA H 1 4.438 0.003 . 1 . . . . . 154 Ala HA . 16775 1 1795 . 1 . 1 156 156 ALA HB1 H 1 1.503 0.003 . 3 . . . . . 154 Ala QB . 16775 1 1796 . 1 . 1 156 156 ALA HB2 H 1 1.503 0.003 . 3 . . . . . 154 Ala QB . 16775 1 1797 . 1 . 1 156 156 ALA HB3 H 1 1.503 0.003 . 3 . . . . . 154 Ala QB . 16775 1 1798 . 1 . 1 156 156 ALA CA C 13 51.309 0.065 . 1 . . . . . 154 Ala CA . 16775 1 1799 . 1 . 1 156 156 ALA CB C 13 18.273 0.030 . 1 . . . . . 154 Ala CB . 16775 1 1800 . 1 . 1 156 156 ALA N N 15 124.845 0.091 . 1 . . . . . 154 Ala N . 16775 1 1801 . 1 . 1 157 157 ARG H H 1 8.007 0.007 . 1 . . . . . 155 Arg H . 16775 1 1802 . 1 . 1 157 157 ARG HA H 1 4.48 0.003 . 1 . . . . . 155 Arg HA . 16775 1 1803 . 1 . 1 157 157 ARG HB2 H 1 2.049 0.006 . 2 . . . . . 155 Arg HB2 . 16775 1 1804 . 1 . 1 157 157 ARG HB3 H 1 1.876 0.006 . 2 . . . . . 155 Arg HB3 . 16775 1 1805 . 1 . 1 157 157 ARG HD2 H 1 3.368 0.008 . 2 . . . . . 155 Arg HD2 . 16775 1 1806 . 1 . 1 157 157 ARG HD3 H 1 3.217 0.010 . 2 . . . . . 155 Arg HD3 . 16775 1 1807 . 1 . 1 157 157 ARG HG2 H 1 1.87 0.006 . 2 . . . . . 155 Arg HG2 . 16775 1 1808 . 1 . 1 157 157 ARG HG3 H 1 1.717 0.000 . 2 . . . . . 155 Arg HG3 . 16775 1 1809 . 1 . 1 157 157 ARG CA C 13 55.095 0.076 . 1 . . . . . 155 Arg CA . 16775 1 1810 . 1 . 1 157 157 ARG CB C 13 30.079 0.025 . 1 . . . . . 155 Arg CB . 16775 1 1811 . 1 . 1 157 157 ARG CD C 13 42.193 0.038 . 1 . . . . . 155 Arg CD . 16775 1 1812 . 1 . 1 157 157 ARG CG C 13 26.011 0.057 . 1 . . . . . 155 Arg CG . 16775 1 1813 . 1 . 1 157 157 ARG N N 15 119.576 0.070 . 1 . . . . . 155 Arg N . 16775 1 1814 . 1 . 1 158 158 THR H H 1 8.276 0.010 . 1 . . . . . 156 Thr H . 16775 1 1815 . 1 . 1 158 158 THR HA H 1 4.463 0.003 . 1 . . . . . 156 Thr HA . 16775 1 1816 . 1 . 1 158 158 THR HB H 1 4.374 0.007 . 1 . . . . . 156 Thr HB . 16775 1 1817 . 1 . 1 158 158 THR HG21 H 1 1.258 0.005 . 3 . . . . . 156 Thr QG2 . 16775 1 1818 . 1 . 1 158 158 THR HG22 H 1 1.258 0.005 . 3 . . . . . 156 Thr QG2 . 16775 1 1819 . 1 . 1 158 158 THR HG23 H 1 1.258 0.005 . 3 . . . . . 156 Thr QG2 . 16775 1 1820 . 1 . 1 158 158 THR CA C 13 60.583 0.071 . 1 . . . . . 156 Thr CA . 16775 1 1821 . 1 . 1 158 158 THR CB C 13 68.441 0.074 . 1 . . . . . 156 Thr CB . 16775 1 1822 . 1 . 1 158 158 THR CG2 C 13 20.323 0.073 . 1 . . . . . 156 Thr CG2 . 16775 1 1823 . 1 . 1 158 158 THR N N 15 113.604 0.065 . 1 . . . . . 156 Thr N . 16775 1 1824 . 1 . 1 159 159 ASP H H 1 8.455 0.006 . 1 . . . . . 157 Asp H . 16775 1 1825 . 1 . 1 159 159 ASP HA H 1 4.717 0.005 . 1 . . . . . 157 Asp HA . 16775 1 1826 . 1 . 1 159 159 ASP HB2 H 1 2.725 0.002 . 2 . . . . . 157 Asp QB . 16775 1 1827 . 1 . 1 159 159 ASP HB3 H 1 2.725 0.002 . 2 . . . . . 157 Asp QB . 16775 1 1828 . 1 . 1 159 159 ASP CA C 13 52.947 0.069 . 1 . . . . . 157 Asp CA . 16775 1 1829 . 1 . 1 159 159 ASP CB C 13 39.712 0.067 . 1 . . . . . 157 Asp CB . 16775 1 1830 . 1 . 1 159 159 ASP N N 15 122.38 0.035 . 1 . . . . . 157 Asp N . 16775 1 1831 . 1 . 1 160 160 LEU H H 1 7.618 0.007 . 1 . . . . . 158 Leu H . 16775 1 1832 . 1 . 1 160 160 LEU HA H 1 4.221 0.001 . 1 . . . . . 158 Leu HA . 16775 1 1833 . 1 . 1 160 160 LEU HB2 H 1 1.626 0.001 . 2 . . . . . 158 Leu QB . 16775 1 1834 . 1 . 1 160 160 LEU HB3 H 1 1.626 0.001 . 2 . . . . . 158 Leu QB . 16775 1 1835 . 1 . 1 160 160 LEU HD11 H 1 0.961 0.002 . 3 . . . . . 158 Leu QD1 . 16775 1 1836 . 1 . 1 160 160 LEU HD12 H 1 0.961 0.002 . 3 . . . . . 158 Leu QD1 . 16775 1 1837 . 1 . 1 160 160 LEU HD13 H 1 0.961 0.002 . 3 . . . . . 158 Leu QD1 . 16775 1 1838 . 1 . 1 160 160 LEU HD21 H 1 0.906 0.003 . 3 . . . . . 158 Leu QD2 . 16775 1 1839 . 1 . 1 160 160 LEU HD22 H 1 0.906 0.003 . 3 . . . . . 158 Leu QD2 . 16775 1 1840 . 1 . 1 160 160 LEU HD23 H 1 0.906 0.003 . 3 . . . . . 158 Leu QD2 . 16775 1 1841 . 1 . 1 160 160 LEU HG H 1 1.626 0.001 . 1 . . . . . 158 Leu HG . 16775 1 1842 . 1 . 1 160 160 LEU CA C 13 55.517 0.066 . 1 . . . . . 158 Leu CA . 16775 1 1843 . 1 . 1 160 160 LEU CB C 13 42.383 0.033 . 1 . . . . . 158 Leu CB . 16775 1 1844 . 1 . 1 160 160 LEU CD1 C 13 24.232 0.042 . 2 . . . . . 158 Leu CD1 . 16775 1 1845 . 1 . 1 160 160 LEU CD2 C 13 22.509 0.034 . 2 . . . . . 158 Leu CD2 . 16775 1 1846 . 1 . 1 160 160 LEU CG C 13 26.086 0.034 . 1 . . . . . 158 Leu CG . 16775 1 1847 . 1 . 1 160 160 LEU N N 15 127.06 0.036 . 1 . . . . . 158 Leu N . 16775 1 stop_ save_