data_50124 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50124 _Entry.Title ; Complete sequential assignment of the protein K1-CanA from Pyrodictium abyssi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-12-12 _Entry.Accession_date 2019-12-12 _Entry.Last_release_date 2019-12-12 _Entry.Original_release_date 2019-12-12 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _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 Claudia Munte . E. . . 50124 2 'Hans Robert' Kalbitzer . . . . 50124 3 Raphael Kreitner . R. . . 50124 4 Katrin Singer . . . . 50124 5 Karl Stetter . O. . . 50124 6 Gudrun Horn . . . . 50124 7 Werner Kremer . . . . 50124 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 Biophysics and Physical Biochemistry, Biophysics I, University of Regensburg' . 50124 2 . 'Centre of Magnetic Resonance in Chemistry and Biomedicine (CMRCB), University of Regensburg' . 50124 3 . 'Institute of Microbiology, University of Regensburg' . 50124 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50124 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 756 50124 '15N chemical shifts' 187 50124 '1H chemical shifts' 1227 50124 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 . . 2020-12-14 . original BMRB . 50124 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50124 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32052266 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Complete sequential assignment and secondary structure prediction of the cannulae forming protein CanA from the hyperthermophilic archebacterium Pyrodictium abyssi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 141 _Citation.Page_last 146 _Citation.Year 2020 _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 Raphael Kreitner . . . . 50124 1 2 Claudia Munte . E. . . 50124 1 3 Katrin Singer . . . . 50124 1 4 Karl Stetter . O. . . 50124 1 5 Gudrun Horn . . . . 50124 1 6 Werner Kremer . . . . 50124 1 7 'Hans Robert' Kalbitzer . . . . 50124 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Pyrodictium abyssi, cannulae forming protein, hyperthermophilic, archebacterium' 50124 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50124 _Assembly.ID 1 _Assembly.Name 'K1-CanA monomer' _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 'K1-CanA monomer' 1 $entity_1 . . yes native no no . . . 50124 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50124 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ATGTAQAVSEPIDVESHLGS ITPAAGAQGSDDIGYAIVWI KDQVNDVKLKVTLANAEQLK PYFKYLQIQITSGYETNSTA LGNFSETKAVISLDNPSAVI VLDKEDIAVLYPDKTGYTNT SIWVPGEPDKIIVYNETKPV AILNFKAFYEAKEGMLFDSL PVIFNFQVLQVG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 11,A _Entity.Polymer_author_seq_details 'Residues 1-10 from CanA have been removed' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 172 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 18706.21 _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 11 ALA . 50124 1 2 12 THR . 50124 1 3 13 GLY . 50124 1 4 14 THR . 50124 1 5 15 ALA . 50124 1 6 16 GLN . 50124 1 7 17 ALA . 50124 1 8 18 VAL . 50124 1 9 19 SER . 50124 1 10 20 GLU . 50124 1 11 21 PRO . 50124 1 12 22 ILE . 50124 1 13 23 ASP . 50124 1 14 24 VAL . 50124 1 15 25 GLU . 50124 1 16 26 SER . 50124 1 17 27 HIS . 50124 1 18 28 LEU . 50124 1 19 29 GLY . 50124 1 20 30 SER . 50124 1 21 31 ILE . 50124 1 22 32 THR . 50124 1 23 33 PRO . 50124 1 24 34 ALA . 50124 1 25 35 ALA . 50124 1 26 36 GLY . 50124 1 27 37 ALA . 50124 1 28 38 GLN . 50124 1 29 39 GLY . 50124 1 30 40 SER . 50124 1 31 41 ASP . 50124 1 32 42 ASP . 50124 1 33 43 ILE . 50124 1 34 44 GLY . 50124 1 35 45 TYR . 50124 1 36 46 ALA . 50124 1 37 47 ILE . 50124 1 38 48 VAL . 50124 1 39 49 TRP . 50124 1 40 50 ILE . 50124 1 41 51 LYS . 50124 1 42 52 ASP . 50124 1 43 53 GLN . 50124 1 44 54 VAL . 50124 1 45 55 ASN . 50124 1 46 56 ASP . 50124 1 47 57 VAL . 50124 1 48 58 LYS . 50124 1 49 59 LEU . 50124 1 50 60 LYS . 50124 1 51 61 VAL . 50124 1 52 62 THR . 50124 1 53 63 LEU . 50124 1 54 64 ALA . 50124 1 55 65 ASN . 50124 1 56 66 ALA . 50124 1 57 67 GLU . 50124 1 58 68 GLN . 50124 1 59 69 LEU . 50124 1 60 70 LYS . 50124 1 61 71 PRO . 50124 1 62 72 TYR . 50124 1 63 73 PHE . 50124 1 64 74 LYS . 50124 1 65 75 TYR . 50124 1 66 76 LEU . 50124 1 67 77 GLN . 50124 1 68 78 ILE . 50124 1 69 79 GLN . 50124 1 70 80 ILE . 50124 1 71 81 THR . 50124 1 72 82 SER . 50124 1 73 83 GLY . 50124 1 74 84 TYR . 50124 1 75 85 GLU . 50124 1 76 86 THR . 50124 1 77 87 ASN . 50124 1 78 88 SER . 50124 1 79 89 THR . 50124 1 80 90 ALA . 50124 1 81 91 LEU . 50124 1 82 92 GLY . 50124 1 83 93 ASN . 50124 1 84 94 PHE . 50124 1 85 95 SER . 50124 1 86 96 GLU . 50124 1 87 97 THR . 50124 1 88 98 LYS . 50124 1 89 99 ALA . 50124 1 90 100 VAL . 50124 1 91 101 ILE . 50124 1 92 102 SER . 50124 1 93 103 LEU . 50124 1 94 104 ASP . 50124 1 95 105 ASN . 50124 1 96 106 PRO . 50124 1 97 107 SER . 50124 1 98 108 ALA . 50124 1 99 109 VAL . 50124 1 100 110 ILE . 50124 1 101 111 VAL . 50124 1 102 112 LEU . 50124 1 103 113 ASP . 50124 1 104 114 LYS . 50124 1 105 115 GLU . 50124 1 106 116 ASP . 50124 1 107 117 ILE . 50124 1 108 118 ALA . 50124 1 109 119 VAL . 50124 1 110 120 LEU . 50124 1 111 121 TYR . 50124 1 112 122 PRO . 50124 1 113 123 ASP . 50124 1 114 124 LYS . 50124 1 115 125 THR . 50124 1 116 126 GLY . 50124 1 117 127 TYR . 50124 1 118 128 THR . 50124 1 119 129 ASN . 50124 1 120 130 THR . 50124 1 121 131 SER . 50124 1 122 132 ILE . 50124 1 123 133 TRP . 50124 1 124 134 VAL . 50124 1 125 135 PRO . 50124 1 126 136 GLY . 50124 1 127 137 GLU . 50124 1 128 138 PRO . 50124 1 129 139 ASP . 50124 1 130 140 LYS . 50124 1 131 141 ILE . 50124 1 132 142 ILE . 50124 1 133 143 VAL . 50124 1 134 144 TYR . 50124 1 135 145 ASN . 50124 1 136 146 GLU . 50124 1 137 147 THR . 50124 1 138 148 LYS . 50124 1 139 149 PRO . 50124 1 140 150 VAL . 50124 1 141 151 ALA . 50124 1 142 152 ILE . 50124 1 143 153 LEU . 50124 1 144 154 ASN . 50124 1 145 155 PHE . 50124 1 146 156 LYS . 50124 1 147 157 ALA . 50124 1 148 158 PHE . 50124 1 149 159 TYR . 50124 1 150 160 GLU . 50124 1 151 161 ALA . 50124 1 152 162 LYS . 50124 1 153 163 GLU . 50124 1 154 164 GLY . 50124 1 155 165 MET . 50124 1 156 166 LEU . 50124 1 157 167 PHE . 50124 1 158 168 ASP . 50124 1 159 169 SER . 50124 1 160 170 LEU . 50124 1 161 171 PRO . 50124 1 162 172 VAL . 50124 1 163 173 ILE . 50124 1 164 174 PHE . 50124 1 165 175 ASN . 50124 1 166 176 PHE . 50124 1 167 177 GLN . 50124 1 168 178 VAL . 50124 1 169 179 LEU . 50124 1 170 180 GLN . 50124 1 171 181 VAL . 50124 1 172 182 GLY . 50124 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 . ALA 1 1 50124 1 . THR 2 2 50124 1 . GLY 3 3 50124 1 . THR 4 4 50124 1 . ALA 5 5 50124 1 . GLN 6 6 50124 1 . ALA 7 7 50124 1 . VAL 8 8 50124 1 . SER 9 9 50124 1 . GLU 10 10 50124 1 . PRO 11 11 50124 1 . ILE 12 12 50124 1 . ASP 13 13 50124 1 . VAL 14 14 50124 1 . GLU 15 15 50124 1 . SER 16 16 50124 1 . HIS 17 17 50124 1 . LEU 18 18 50124 1 . GLY 19 19 50124 1 . SER 20 20 50124 1 . ILE 21 21 50124 1 . THR 22 22 50124 1 . PRO 23 23 50124 1 . ALA 24 24 50124 1 . ALA 25 25 50124 1 . GLY 26 26 50124 1 . ALA 27 27 50124 1 . GLN 28 28 50124 1 . GLY 29 29 50124 1 . SER 30 30 50124 1 . ASP 31 31 50124 1 . ASP 32 32 50124 1 . ILE 33 33 50124 1 . GLY 34 34 50124 1 . TYR 35 35 50124 1 . ALA 36 36 50124 1 . ILE 37 37 50124 1 . VAL 38 38 50124 1 . TRP 39 39 50124 1 . ILE 40 40 50124 1 . LYS 41 41 50124 1 . ASP 42 42 50124 1 . GLN 43 43 50124 1 . VAL 44 44 50124 1 . ASN 45 45 50124 1 . ASP 46 46 50124 1 . VAL 47 47 50124 1 . LYS 48 48 50124 1 . LEU 49 49 50124 1 . LYS 50 50 50124 1 . VAL 51 51 50124 1 . THR 52 52 50124 1 . LEU 53 53 50124 1 . ALA 54 54 50124 1 . ASN 55 55 50124 1 . ALA 56 56 50124 1 . GLU 57 57 50124 1 . GLN 58 58 50124 1 . LEU 59 59 50124 1 . LYS 60 60 50124 1 . PRO 61 61 50124 1 . TYR 62 62 50124 1 . PHE 63 63 50124 1 . LYS 64 64 50124 1 . TYR 65 65 50124 1 . LEU 66 66 50124 1 . GLN 67 67 50124 1 . ILE 68 68 50124 1 . GLN 69 69 50124 1 . ILE 70 70 50124 1 . THR 71 71 50124 1 . SER 72 72 50124 1 . GLY 73 73 50124 1 . TYR 74 74 50124 1 . GLU 75 75 50124 1 . THR 76 76 50124 1 . ASN 77 77 50124 1 . SER 78 78 50124 1 . THR 79 79 50124 1 . ALA 80 80 50124 1 . LEU 81 81 50124 1 . GLY 82 82 50124 1 . ASN 83 83 50124 1 . PHE 84 84 50124 1 . SER 85 85 50124 1 . GLU 86 86 50124 1 . THR 87 87 50124 1 . LYS 88 88 50124 1 . ALA 89 89 50124 1 . VAL 90 90 50124 1 . ILE 91 91 50124 1 . SER 92 92 50124 1 . LEU 93 93 50124 1 . ASP 94 94 50124 1 . ASN 95 95 50124 1 . PRO 96 96 50124 1 . SER 97 97 50124 1 . ALA 98 98 50124 1 . VAL 99 99 50124 1 . ILE 100 100 50124 1 . VAL 101 101 50124 1 . LEU 102 102 50124 1 . ASP 103 103 50124 1 . LYS 104 104 50124 1 . GLU 105 105 50124 1 . ASP 106 106 50124 1 . ILE 107 107 50124 1 . ALA 108 108 50124 1 . VAL 109 109 50124 1 . LEU 110 110 50124 1 . TYR 111 111 50124 1 . PRO 112 112 50124 1 . ASP 113 113 50124 1 . LYS 114 114 50124 1 . THR 115 115 50124 1 . GLY 116 116 50124 1 . TYR 117 117 50124 1 . THR 118 118 50124 1 . ASN 119 119 50124 1 . THR 120 120 50124 1 . SER 121 121 50124 1 . ILE 122 122 50124 1 . TRP 123 123 50124 1 . VAL 124 124 50124 1 . PRO 125 125 50124 1 . GLY 126 126 50124 1 . GLU 127 127 50124 1 . PRO 128 128 50124 1 . ASP 129 129 50124 1 . LYS 130 130 50124 1 . ILE 131 131 50124 1 . ILE 132 132 50124 1 . VAL 133 133 50124 1 . TYR 134 134 50124 1 . ASN 135 135 50124 1 . GLU 136 136 50124 1 . THR 137 137 50124 1 . LYS 138 138 50124 1 . PRO 139 139 50124 1 . VAL 140 140 50124 1 . ALA 141 141 50124 1 . ILE 142 142 50124 1 . LEU 143 143 50124 1 . ASN 144 144 50124 1 . PHE 145 145 50124 1 . LYS 146 146 50124 1 . ALA 147 147 50124 1 . PHE 148 148 50124 1 . TYR 149 149 50124 1 . GLU 150 150 50124 1 . ALA 151 151 50124 1 . LYS 152 152 50124 1 . GLU 153 153 50124 1 . GLY 154 154 50124 1 . MET 155 155 50124 1 . LEU 156 156 50124 1 . PHE 157 157 50124 1 . ASP 158 158 50124 1 . SER 159 159 50124 1 . LEU 160 160 50124 1 . PRO 161 161 50124 1 . VAL 162 162 50124 1 . ILE 163 163 50124 1 . PHE 164 164 50124 1 . ASN 165 165 50124 1 . PHE 166 166 50124 1 . GLN 167 167 50124 1 . VAL 168 168 50124 1 . LEU 169 169 50124 1 . GLN 170 170 50124 1 . VAL 171 171 50124 1 . GLY 172 172 50124 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50124 _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 $entity_1 . 54256 organism . 'Pyrodictium abyssi' 'Pyrodictium abyssi' . . Archaea . Pyrodictium abyssi . . . . . . . . . . . . . 50124 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50124 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET17b . . . 50124 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50124 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'H2O 1H Sample 1' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 50124 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 1 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 1 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 50124 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'H2O 1H Sample 2' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA 'natural abundance' . . 1 $entity_1 . . 1.8 . . mM . . . . 50124 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 2 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 2 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 2 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 50124 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'D2O 1H Sample' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA 'natural abundance' . . 1 $entity_1 . . 0.5 . . mM . . . . 50124 3 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 3 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 3 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 3 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 3 stop_ save_ save_sample_4 _Sample.Sf_category sample _Sample.Sf_framecode sample_4 _Sample.Entry_ID 50124 _Sample.ID 4 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'H2O 15N Sample' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA '[U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50124 4 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 4 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 4 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 4 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 4 stop_ save_ save_sample_5 _Sample.Sf_category sample _Sample.Sf_framecode sample_5 _Sample.Entry_ID 50124 _Sample.ID 5 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'H2O 13C/15N Sample' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50124 5 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 5 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 5 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 5 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 5 stop_ save_ save_sample_6 _Sample.Sf_category sample _Sample.Sf_framecode sample_6 _Sample.Entry_ID 50124 _Sample.ID 6 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details 'D2O 13C/15N Sample' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 K1-CanA '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 50124 6 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 50124 6 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 50124 6 4 'sodium azide' 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 6 5 DSS 'natural abundance' . . . . . . 0.4 . . mM . . . . 50124 6 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 50124 _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 pH 6.6 . pH 50124 1 pressure 1 . atm 50124 1 temperature 323 . K 50124 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50124 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50124 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 50124 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50124 _Software.ID 2 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50124 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50124 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50124 _Software.ID 3 _Software.Type . _Software.Name AUREMOL _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 50124 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50124 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50124 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TXI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50124 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 50124 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details 'TCI cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50124 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 3 '2D 1H-1H NOESY' no . . . . . . . . . . 5 $sample_5 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 50124 1 4 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 5 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 6 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50124 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 50124 1 10 '3D HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 11 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 12 '3D CBCA(CO)NH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 13 '3D CBCANH' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 14 '3D HCAN' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 50124 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 6 $sample_6 isotropic . . 1 $sample_conditions_1 . . . 3 $NMR_spectrometer_3 . . . . . . . . . . . . . . . . 50124 1 17 '3D HCCH-TOCSY' no . . . . . . . . . . 4 $sample_4 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 18 '3D (HB)CB(CGCC-TOCSY)Har' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 19 '3D (HB)CB(CGCD)HD' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50124 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50124 _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 . . . . . 50124 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 50124 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 50124 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50124 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H NOESY' . . . 50124 1 2 '2D 1H-1H NOESY' . . . 50124 1 3 '2D 1H-1H NOESY' . . . 50124 1 4 '2D 1H-1H TOCSY' . . . 50124 1 5 '2D 1H-13C HSQC aliphatic' . . . 50124 1 6 '2D 1H-13C HSQC aromatic' . . . 50124 1 7 '2D 1H-15N HSQC' . . . 50124 1 8 '2D 1H-15N HSQC' . . . 50124 1 9 '2D 1H-15N HSQC' . . . 50124 1 10 '3D HNCO' . . . 50124 1 11 '3D HNCA' . . . 50124 1 12 '3D CBCA(CO)NH' . . . 50124 1 13 '3D CBCANH' . . . 50124 1 14 '3D HCAN' . . . 50124 1 15 '3D 1H-15N NOESY' . . . 50124 1 16 '3D 1H-15N NOESY' . . . 50124 1 17 '3D HCCH-TOCSY' . . . 50124 1 18 '3D (HB)CB(CGCC-TOCSY)Har' . . . 50124 1 19 '3D (HB)CB(CGCD)HD' . . . 50124 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 1 1 ALA HA H 1 4.18 0.02 . 1 . . . . . 11 ALA HA . 50124 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.55 0.02 . 1 . . . . . 11 ALA MB . 50124 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.55 0.02 . 1 . . . . . 11 ALA MB . 50124 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.55 0.02 . 1 . . . . . 11 ALA MB . 50124 1 5 . 1 . 1 1 1 ALA CA C 13 51.65 0.05 . 1 . . . . . 11 ALA CA . 50124 1 6 . 1 . 1 1 1 ALA CB C 13 19.46 0.05 . 1 . . . . . 11 ALA CB . 50124 1 7 . 1 . 1 2 2 THR HA H 1 4.42 0.02 . 1 . . . . . 12 THR HA . 50124 1 8 . 1 . 1 2 2 THR HB H 1 4.23 0.02 . 1 . . . . . 12 THR HB . 50124 1 9 . 1 . 1 2 2 THR HG21 H 1 1.24 0.02 . 1 . . . . . 12 THR MG . 50124 1 10 . 1 . 1 2 2 THR HG22 H 1 1.24 0.02 . 1 . . . . . 12 THR MG . 50124 1 11 . 1 . 1 2 2 THR HG23 H 1 1.24 0.02 . 1 . . . . . 12 THR MG . 50124 1 12 . 1 . 1 2 2 THR CA C 13 61.96 0.05 . 1 . . . . . 12 THR CA . 50124 1 13 . 1 . 1 2 2 THR CB C 13 69.62 0.05 . 1 . . . . . 12 THR CB . 50124 1 14 . 1 . 1 2 2 THR CG2 C 13 21.49 0.05 . 1 . . . . . 12 THR CG2 . 50124 1 15 . 1 . 1 2 2 THR N N 15 113.3 0.1 . 1 . . . . . 12 THR N . 50124 1 16 . 1 . 1 3 3 GLY HA2 H 1 4.06 0.02 . 2 . . . . . 13 GLY HA2 . 50124 1 17 . 1 . 1 3 3 GLY HA3 H 1 3.91 0.02 . 2 . . . . . 13 GLY HA3 . 50124 1 18 . 1 . 1 3 3 GLY CA C 13 45.24 0.05 . 1 . . . . . 13 GLY CA . 50124 1 19 . 1 . 1 3 3 GLY N N 15 110.6 0.1 . 1 . . . . . 13 GLY N . 50124 1 20 . 1 . 1 4 4 THR HA H 1 4.38 0.02 . 1 . . . . . 14 THR HA . 50124 1 21 . 1 . 1 4 4 THR HB H 1 4.25 0.02 . 1 . . . . . 14 THR HB . 50124 1 22 . 1 . 1 4 4 THR HG21 H 1 1.21 0.02 . 1 . . . . . 14 THR MG . 50124 1 23 . 1 . 1 4 4 THR HG22 H 1 1.21 0.02 . 1 . . . . . 14 THR MG . 50124 1 24 . 1 . 1 4 4 THR HG23 H 1 1.21 0.02 . 1 . . . . . 14 THR MG . 50124 1 25 . 1 . 1 4 4 THR CA C 13 61.65 0.05 . 1 . . . . . 14 THR CA . 50124 1 26 . 1 . 1 4 4 THR CB C 13 69.62 0.05 . 1 . . . . . 14 THR CB . 50124 1 27 . 1 . 1 4 4 THR CG2 C 13 21.49 0.05 . 1 . . . . . 14 THR CG2 . 50124 1 28 . 1 . 1 4 4 THR N N 15 112.7 0.1 . 1 . . . . . 14 THR N . 50124 1 29 . 1 . 1 5 5 ALA H H 1 8.25 0.02 . 1 . . . . . 15 ALA H . 50124 1 30 . 1 . 1 5 5 ALA HA H 1 4.29 0.02 . 1 . . . . . 15 ALA HA . 50124 1 31 . 1 . 1 5 5 ALA HB1 H 1 1.49 0.02 . 1 . . . . . 15 ALA MB . 50124 1 32 . 1 . 1 5 5 ALA HB2 H 1 1.49 0.02 . 1 . . . . . 15 ALA MB . 50124 1 33 . 1 . 1 5 5 ALA HB3 H 1 1.49 0.02 . 1 . . . . . 15 ALA MB . 50124 1 34 . 1 . 1 5 5 ALA C C 13 177.42 0.05 . 1 . . . . . 15 ALA C . 50124 1 35 . 1 . 1 5 5 ALA CA C 13 52.43 0.05 . 1 . . . . . 15 ALA CA . 50124 1 36 . 1 . 1 5 5 ALA CB C 13 19.3 0.05 . 1 . . . . . 15 ALA CB . 50124 1 37 . 1 . 1 5 5 ALA N N 15 126.2 0.1 . 1 . . . . . 15 ALA N . 50124 1 38 . 1 . 1 6 6 GLN H H 1 8.14 0.02 . 1 . . . . . 16 GLN H . 50124 1 39 . 1 . 1 6 6 GLN HA H 1 4.32 0.02 . 1 . . . . . 16 GLN HA . 50124 1 40 . 1 . 1 6 6 GLN HB2 H 1 2.1 0.02 . 2 . . . . . 16 GLN HB2 . 50124 1 41 . 1 . 1 6 6 GLN HB3 H 1 1.97 0.02 . 2 . . . . . 16 GLN HB3 . 50124 1 42 . 1 . 1 6 6 GLN HG2 H 1 2.36 0.02 . 2 . . . . . 16 GLN HG2 . 50124 1 43 . 1 . 1 6 6 GLN HG3 H 1 2.36 0.02 . 2 . . . . . 16 GLN HG3 . 50124 1 44 . 1 . 1 6 6 GLN HE21 H 1 7.43 0.02 . 1 . . . . . 16 GLN HE21 . 50124 1 45 . 1 . 1 6 6 GLN HE22 H 1 6.74 0.02 . 1 . . . . . 16 GLN HE22 . 50124 1 46 . 1 . 1 6 6 GLN C C 13 175.52 0.05 . 1 . . . . . 16 GLN C . 50124 1 47 . 1 . 1 6 6 GLN CA C 13 55.71 0.05 . 1 . . . . . 16 GLN CA . 50124 1 48 . 1 . 1 6 6 GLN CB C 13 29.77 0.05 . 1 . . . . . 16 GLN CB . 50124 1 49 . 1 . 1 6 6 GLN CG C 13 33.83 0.05 . 1 . . . . . 16 GLN CG . 50124 1 50 . 1 . 1 6 6 GLN N N 15 119.3 0.1 . 1 . . . . . 16 GLN N . 50124 1 51 . 1 . 1 6 6 GLN NE2 N 15 108.1 0.1 . 1 . . . . . 16 GLN NE2 . 50124 1 52 . 1 . 1 7 7 ALA H H 1 8.19 0.02 . 1 . . . . . 17 ALA H . 50124 1 53 . 1 . 1 7 7 ALA HA H 1 4.37 0.02 . 1 . . . . . 17 ALA HA . 50124 1 54 . 1 . 1 7 7 ALA HB1 H 1 1.39 0.02 . 1 . . . . . 17 ALA MB . 50124 1 55 . 1 . 1 7 7 ALA HB2 H 1 1.39 0.02 . 1 . . . . . 17 ALA MB . 50124 1 56 . 1 . 1 7 7 ALA HB3 H 1 1.39 0.02 . 1 . . . . . 17 ALA MB . 50124 1 57 . 1 . 1 7 7 ALA C C 13 177.47 0.05 . 1 . . . . . 17 ALA C . 50124 1 58 . 1 . 1 7 7 ALA CA C 13 52.43 0.05 . 1 . . . . . 17 ALA CA . 50124 1 59 . 1 . 1 7 7 ALA CB C 13 19.3 0.05 . 1 . . . . . 17 ALA CB . 50124 1 60 . 1 . 1 7 7 ALA N N 15 125.3 0.1 . 1 . . . . . 17 ALA N . 50124 1 61 . 1 . 1 8 8 VAL H H 1 7.97 0.02 . 1 . . . . . 18 VAL H . 50124 1 62 . 1 . 1 8 8 VAL HA H 1 4.17 0.02 . 1 . . . . . 18 VAL HA . 50124 1 63 . 1 . 1 8 8 VAL HB H 1 2.11 0.02 . 1 . . . . . 18 VAL HB . 50124 1 64 . 1 . 1 8 8 VAL HG11 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG1 . 50124 1 65 . 1 . 1 8 8 VAL HG12 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG1 . 50124 1 66 . 1 . 1 8 8 VAL HG13 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG1 . 50124 1 67 . 1 . 1 8 8 VAL HG21 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG2 . 50124 1 68 . 1 . 1 8 8 VAL HG22 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG2 . 50124 1 69 . 1 . 1 8 8 VAL HG23 H 1 0.94 0.02 . 2 . . . . . 18 VAL MG2 . 50124 1 70 . 1 . 1 8 8 VAL C C 13 175.97 0.05 . 1 . . . . . 18 VAL C . 50124 1 71 . 1 . 1 8 8 VAL CA C 13 61.96 0.05 . 1 . . . . . 18 VAL CA . 50124 1 72 . 1 . 1 8 8 VAL CB C 13 32.9 0.05 . 1 . . . . . 18 VAL CB . 50124 1 73 . 1 . 1 8 8 VAL CG1 C 13 20.86 0.05 . 2 . . . . . 18 VAL CG1 . 50124 1 74 . 1 . 1 8 8 VAL CG2 C 13 20.86 0.05 . 2 . . . . . 18 VAL CG2 . 50124 1 75 . 1 . 1 8 8 VAL N N 15 118.8 0.1 . 1 . . . . . 18 VAL N . 50124 1 76 . 1 . 1 9 9 SER H H 1 8.2 0.02 . 1 . . . . . 19 SER H . 50124 1 77 . 1 . 1 9 9 SER HA H 1 4.49 0.02 . 1 . . . . . 19 SER HA . 50124 1 78 . 1 . 1 9 9 SER HB2 H 1 3.84 0.02 . 2 . . . . . 19 SER HB2 . 50124 1 79 . 1 . 1 9 9 SER HB3 H 1 3.84 0.02 . 2 . . . . . 19 SER HB3 . 50124 1 80 . 1 . 1 9 9 SER C C 13 174.12 0.05 . 1 . . . . . 19 SER C . 50124 1 81 . 1 . 1 9 9 SER CA C 13 57.9 0.05 . 1 . . . . . 19 SER CA . 50124 1 82 . 1 . 1 9 9 SER CB C 13 63.83 0.05 . 1 . . . . . 19 SER CB . 50124 1 83 . 1 . 1 9 9 SER N N 15 119 0.1 . 1 . . . . . 19 SER N . 50124 1 84 . 1 . 1 10 10 GLU H H 1 8.28 0.02 . 1 . . . . . 20 GLU H . 50124 1 85 . 1 . 1 10 10 GLU HA H 1 4.7 0.02 . 1 . . . . . 20 GLU HA . 50124 1 86 . 1 . 1 10 10 GLU HB2 H 1 2.13 0.02 . 2 . . . . . 20 GLU HB2 . 50124 1 87 . 1 . 1 10 10 GLU HB3 H 1 1.98 0.02 . 2 . . . . . 20 GLU HB3 . 50124 1 88 . 1 . 1 10 10 GLU HG2 H 1 2.36 0.02 . 2 . . . . . 20 GLU HG2 . 50124 1 89 . 1 . 1 10 10 GLU HG3 H 1 2.33 0.02 . 2 . . . . . 20 GLU HG3 . 50124 1 90 . 1 . 1 10 10 GLU CA C 13 54.46 0.05 . 1 . . . . . 20 GLU CA . 50124 1 91 . 1 . 1 10 10 GLU CB C 13 29.77 0.05 . 1 . . . . . 20 GLU CB . 50124 1 92 . 1 . 1 10 10 GLU CG C 13 36.02 0.05 . 1 . . . . . 20 GLU CG . 50124 1 93 . 1 . 1 10 10 GLU N N 15 122.8 0.1 . 1 . . . . . 20 GLU N . 50124 1 94 . 1 . 1 11 11 PRO HA H 1 4.42 0.02 . 1 . . . . . 21 PRO HA . 50124 1 95 . 1 . 1 11 11 PRO HB2 H 1 1.94 0.02 . 2 . . . . . 21 PRO HB2 . 50124 1 96 . 1 . 1 11 11 PRO HB3 H 1 2.27 0.02 . 2 . . . . . 21 PRO HB3 . 50124 1 97 . 1 . 1 11 11 PRO HG2 H 1 1.89 0.02 . 2 . . . . . 21 PRO HG2 . 50124 1 98 . 1 . 1 11 11 PRO HG3 H 1 2.17 0.02 . 2 . . . . . 21 PRO HG3 . 50124 1 99 . 1 . 1 11 11 PRO HD2 H 1 3.86 0.02 . 2 . . . . . 21 PRO HD2 . 50124 1 100 . 1 . 1 11 11 PRO HD3 H 1 3.76 0.02 . 2 . . . . . 21 PRO HD3 . 50124 1 101 . 1 . 1 11 11 PRO C C 13 175.01 0.05 . 1 . . . . . 21 PRO C . 50124 1 102 . 1 . 1 11 11 PRO CA C 13 64.15 0.05 . 1 . . . . . 21 PRO CA . 50124 1 103 . 1 . 1 11 11 PRO CB C 13 32.11 0.05 . 1 . . . . . 21 PRO CB . 50124 1 104 . 1 . 1 11 11 PRO CG C 13 27.27 0.05 . 1 . . . . . 21 PRO CG . 50124 1 105 . 1 . 1 11 11 PRO CD C 13 50.55 0.05 . 1 . . . . . 21 PRO CD . 50124 1 106 . 1 . 1 11 11 PRO N N 15 133 0.1 . 1 . . . . . 21 PRO N . 50124 1 107 . 1 . 1 12 12 ILE H H 1 7.21 0.02 . 1 . . . . . 22 ILE H . 50124 1 108 . 1 . 1 12 12 ILE HA H 1 5.14 0.02 . 1 . . . . . 22 ILE HA . 50124 1 109 . 1 . 1 12 12 ILE HB H 1 1.8 0.02 . 1 . . . . . 22 ILE HB . 50124 1 110 . 1 . 1 12 12 ILE HG12 H 1 1.11 0.02 . 2 . . . . . 22 ILE HG12 . 50124 1 111 . 1 . 1 12 12 ILE HG13 H 1 1.31 0.02 . 2 . . . . . 22 ILE HG13 . 50124 1 112 . 1 . 1 12 12 ILE HG21 H 1 0.72 0.02 . 1 . . . . . 22 ILE MG . 50124 1 113 . 1 . 1 12 12 ILE HG22 H 1 0.72 0.02 . 1 . . . . . 22 ILE MG . 50124 1 114 . 1 . 1 12 12 ILE HG23 H 1 0.72 0.02 . 1 . . . . . 22 ILE MG . 50124 1 115 . 1 . 1 12 12 ILE HD11 H 1 0.74 0.02 . 1 . . . . . 22 ILE MD . 50124 1 116 . 1 . 1 12 12 ILE HD12 H 1 0.74 0.02 . 1 . . . . . 22 ILE MD . 50124 1 117 . 1 . 1 12 12 ILE HD13 H 1 0.74 0.02 . 1 . . . . . 22 ILE MD . 50124 1 118 . 1 . 1 12 12 ILE C C 13 174.47 0.05 . 1 . . . . . 22 ILE C . 50124 1 119 . 1 . 1 12 12 ILE CA C 13 58.05 0.05 . 1 . . . . . 22 ILE CA . 50124 1 120 . 1 . 1 12 12 ILE CB C 13 40.87 0.05 . 1 . . . . . 22 ILE CB . 50124 1 121 . 1 . 1 12 12 ILE CG1 C 13 26.8 0.05 . 1 . . . . . 22 ILE CG1 . 50124 1 122 . 1 . 1 12 12 ILE CG2 C 13 18.36 0.05 . 1 . . . . . 22 ILE CG2 . 50124 1 123 . 1 . 1 12 12 ILE CD1 C 13 13.83 0.05 . 1 . . . . . 22 ILE CD1 . 50124 1 124 . 1 . 1 12 12 ILE N N 15 113.6 0.1 . 1 . . . . . 22 ILE N . 50124 1 125 . 1 . 1 13 13 ASP H H 1 8.47 0.02 . 1 . . . . . 23 ASP H . 50124 1 126 . 1 . 1 13 13 ASP HA H 1 5.02 0.02 . 1 . . . . . 23 ASP HA . 50124 1 127 . 1 . 1 13 13 ASP HB2 H 1 2.79 0.02 . 2 . . . . . 23 ASP HB2 . 50124 1 128 . 1 . 1 13 13 ASP HB3 H 1 2.63 0.02 . 2 . . . . . 23 ASP HB3 . 50124 1 129 . 1 . 1 13 13 ASP C C 13 174.35 0.05 . 1 . . . . . 23 ASP C . 50124 1 130 . 1 . 1 13 13 ASP CA C 13 53.37 0.05 . 1 . . . . . 23 ASP CA . 50124 1 131 . 1 . 1 13 13 ASP CB C 13 44.93 0.05 . 1 . . . . . 23 ASP CB . 50124 1 132 . 1 . 1 13 13 ASP N N 15 124.1 0.1 . 1 . . . . . 23 ASP N . 50124 1 133 . 1 . 1 14 14 VAL H H 1 8.36 0.02 . 1 . . . . . 24 VAL H . 50124 1 134 . 1 . 1 14 14 VAL HA H 1 4.85 0.02 . 1 . . . . . 24 VAL HA . 50124 1 135 . 1 . 1 14 14 VAL HB H 1 1.7 0.02 . 1 . . . . . 24 VAL HB . 50124 1 136 . 1 . 1 14 14 VAL HG11 H 1 0.55 0.02 . 2 . . . . . 24 VAL MG1 . 50124 1 137 . 1 . 1 14 14 VAL HG12 H 1 0.55 0.02 . 2 . . . . . 24 VAL MG1 . 50124 1 138 . 1 . 1 14 14 VAL HG13 H 1 0.55 0.02 . 2 . . . . . 24 VAL MG1 . 50124 1 139 . 1 . 1 14 14 VAL HG21 H 1 -0.12 0.02 . 2 . . . . . 24 VAL MG2 . 50124 1 140 . 1 . 1 14 14 VAL HG22 H 1 -0.12 0.02 . 2 . . . . . 24 VAL MG2 . 50124 1 141 . 1 . 1 14 14 VAL HG23 H 1 -0.12 0.02 . 2 . . . . . 24 VAL MG2 . 50124 1 142 . 1 . 1 14 14 VAL C C 13 175.31 0.05 . 1 . . . . . 24 VAL C . 50124 1 143 . 1 . 1 14 14 VAL CA C 13 61.33 0.05 . 1 . . . . . 24 VAL CA . 50124 1 144 . 1 . 1 14 14 VAL CB C 13 32.74 0.05 . 1 . . . . . 24 VAL CB . 50124 1 145 . 1 . 1 14 14 VAL CG1 C 13 20.24 0.05 . 2 . . . . . 24 VAL CG1 . 50124 1 146 . 1 . 1 14 14 VAL CG2 C 13 21.02 0.05 . 2 . . . . . 24 VAL CG2 . 50124 1 147 . 1 . 1 14 14 VAL N N 15 122.8 0.1 . 1 . . . . . 24 VAL N . 50124 1 148 . 1 . 1 15 15 GLU H H 1 9.49 0.02 . 1 . . . . . 25 GLU H . 50124 1 149 . 1 . 1 15 15 GLU HA H 1 4.72 0.02 . 1 . . . . . 25 GLU HA . 50124 1 150 . 1 . 1 15 15 GLU HB2 H 1 2.24 0.02 . 2 . . . . . 25 GLU HB2 . 50124 1 151 . 1 . 1 15 15 GLU HB3 H 1 2.22 0.02 . 2 . . . . . 25 GLU HB3 . 50124 1 152 . 1 . 1 15 15 GLU HG2 H 1 2.06 0.02 . 2 . . . . . 25 GLU HG2 . 50124 1 153 . 1 . 1 15 15 GLU HG3 H 1 2.52 0.02 . 2 . . . . . 25 GLU HG3 . 50124 1 154 . 1 . 1 15 15 GLU C C 13 175.48 0.05 . 1 . . . . . 25 GLU C . 50124 1 155 . 1 . 1 15 15 GLU CA C 13 53.99 0.05 . 1 . . . . . 25 GLU CA . 50124 1 156 . 1 . 1 15 15 GLU CB C 13 32.43 0.05 . 1 . . . . . 25 GLU CB . 50124 1 157 . 1 . 1 15 15 GLU CG C 13 36.02 0.05 . 1 . . . . . 25 GLU CG . 50124 1 158 . 1 . 1 15 15 GLU N N 15 130.3 0.1 . 1 . . . . . 25 GLU N . 50124 1 159 . 1 . 1 16 16 SER H H 1 8.83 0.02 . 1 . . . . . 26 SER H . 50124 1 160 . 1 . 1 16 16 SER HA H 1 4.26 0.02 . 1 . . . . . 26 SER HA . 50124 1 161 . 1 . 1 16 16 SER HB2 H 1 3.82 0.02 . 2 . . . . . 26 SER HB2 . 50124 1 162 . 1 . 1 16 16 SER HB3 H 1 3.82 0.02 . 2 . . . . . 26 SER HB3 . 50124 1 163 . 1 . 1 16 16 SER C C 13 173.7 0.05 . 1 . . . . . 26 SER C . 50124 1 164 . 1 . 1 16 16 SER CA C 13 59.3 0.05 . 1 . . . . . 26 SER CA . 50124 1 165 . 1 . 1 16 16 SER CB C 13 64.3 0.05 . 1 . . . . . 26 SER CB . 50124 1 166 . 1 . 1 16 16 SER N N 15 122.3 0.1 . 1 . . . . . 26 SER N . 50124 1 167 . 1 . 1 17 17 HIS H H 1 8.64 0.02 . 1 . . . . . 27 HIS H . 50124 1 168 . 1 . 1 17 17 HIS HA H 1 4.63 0.02 . 1 . . . . . 27 HIS HA . 50124 1 169 . 1 . 1 17 17 HIS HB2 H 1 2.67 0.02 . 2 . . . . . 27 HIS HB2 . 50124 1 170 . 1 . 1 17 17 HIS HB3 H 1 1.62 0.02 . 2 . . . . . 27 HIS HB3 . 50124 1 171 . 1 . 1 17 17 HIS HD2 H 1 6.58 0.02 . 1 . . . . . 27 HIS HD2 . 50124 1 172 . 1 . 1 17 17 HIS HE1 H 1 8.46 0.02 . 1 . . . . . 27 HIS HE1 . 50124 1 173 . 1 . 1 17 17 HIS C C 13 174.47 0.05 . 1 . . . . . 27 HIS C . 50124 1 174 . 1 . 1 17 17 HIS CA C 13 54.62 0.05 . 1 . . . . . 27 HIS CA . 50124 1 175 . 1 . 1 17 17 HIS CB C 13 27.74 0.05 . 1 . . . . . 27 HIS CB . 50124 1 176 . 1 . 1 17 17 HIS N N 15 126.9 0.1 . 1 . . . . . 27 HIS N . 50124 1 177 . 1 . 1 18 18 LEU H H 1 7.79 0.02 . 1 . . . . . 28 LEU H . 50124 1 178 . 1 . 1 18 18 LEU HA H 1 4.74 0.02 . 1 . . . . . 28 LEU HA . 50124 1 179 . 1 . 1 18 18 LEU HB2 H 1 1.59 0.02 . 2 . . . . . 28 LEU HB2 . 50124 1 180 . 1 . 1 18 18 LEU HB3 H 1 1.76 0.02 . 2 . . . . . 28 LEU HB3 . 50124 1 181 . 1 . 1 18 18 LEU HG H 1 1.46 0.02 . 1 . . . . . 28 LEU HG . 50124 1 182 . 1 . 1 18 18 LEU HD11 H 1 0.26 0.02 . 2 . . . . . 28 LEU MD1 . 50124 1 183 . 1 . 1 18 18 LEU HD12 H 1 0.26 0.02 . 2 . . . . . 28 LEU MD1 . 50124 1 184 . 1 . 1 18 18 LEU HD13 H 1 0.26 0.02 . 2 . . . . . 28 LEU MD1 . 50124 1 185 . 1 . 1 18 18 LEU HD21 H 1 0.47 0.02 . 2 . . . . . 28 LEU MD2 . 50124 1 186 . 1 . 1 18 18 LEU HD22 H 1 0.47 0.02 . 2 . . . . . 28 LEU MD2 . 50124 1 187 . 1 . 1 18 18 LEU HD23 H 1 0.47 0.02 . 2 . . . . . 28 LEU MD2 . 50124 1 188 . 1 . 1 18 18 LEU C C 13 177.91 0.05 . 1 . . . . . 28 LEU C . 50124 1 189 . 1 . 1 18 18 LEU CA C 13 53.99 0.05 . 1 . . . . . 28 LEU CA . 50124 1 190 . 1 . 1 18 18 LEU CB C 13 43.37 0.05 . 1 . . . . . 28 LEU CB . 50124 1 191 . 1 . 1 18 18 LEU CG C 13 27.9 0.05 . 1 . . . . . 28 LEU CG . 50124 1 192 . 1 . 1 18 18 LEU CD1 C 13 23.05 0.05 . 2 . . . . . 28 LEU CD1 . 50124 1 193 . 1 . 1 18 18 LEU CD2 C 13 25.08 0.05 . 2 . . . . . 28 LEU CD2 . 50124 1 194 . 1 . 1 18 18 LEU N N 15 124.6 0.1 . 1 . . . . . 28 LEU N . 50124 1 195 . 1 . 1 19 19 GLY H H 1 8.52 0.02 . 1 . . . . . 29 GLY H . 50124 1 196 . 1 . 1 19 19 GLY HA2 H 1 4.49 0.02 . 2 . . . . . 29 GLY HA2 . 50124 1 197 . 1 . 1 19 19 GLY HA3 H 1 3.71 0.02 . 2 . . . . . 29 GLY HA3 . 50124 1 198 . 1 . 1 19 19 GLY C C 13 172.69 0.05 . 1 . . . . . 29 GLY C . 50124 1 199 . 1 . 1 19 19 GLY CA C 13 43.88 0.05 . 1 . . . . . 29 GLY CA . 50124 1 200 . 1 . 1 19 19 GLY N N 15 110.6 0.1 . 1 . . . . . 29 GLY N . 50124 1 201 . 1 . 1 20 20 SER H H 1 7.85 0.02 . 1 . . . . . 30 SER H . 50124 1 202 . 1 . 1 20 20 SER HA H 1 4.88 0.02 . 1 . . . . . 30 SER HA . 50124 1 203 . 1 . 1 20 20 SER HB2 H 1 3.44 0.02 . 2 . . . . . 30 SER HB2 . 50124 1 204 . 1 . 1 20 20 SER HB3 H 1 3.57 0.02 . 2 . . . . . 30 SER HB3 . 50124 1 205 . 1 . 1 20 20 SER C C 13 173.2 0.05 . 1 . . . . . 30 SER C . 50124 1 206 . 1 . 1 20 20 SER CA C 13 56.8 0.05 . 1 . . . . . 30 SER CA . 50124 1 207 . 1 . 1 20 20 SER CB C 13 65.71 0.05 . 1 . . . . . 30 SER CB . 50124 1 208 . 1 . 1 20 20 SER N N 15 114.1 0.1 . 1 . . . . . 30 SER N . 50124 1 209 . 1 . 1 21 21 ILE H H 1 8.74 0.02 . 1 . . . . . 31 ILE H . 50124 1 210 . 1 . 1 21 21 ILE HA H 1 4.27 0.02 . 1 . . . . . 31 ILE HA . 50124 1 211 . 1 . 1 21 21 ILE HB H 1 1.47 0.02 . 1 . . . . . 31 ILE HB . 50124 1 212 . 1 . 1 21 21 ILE HG12 H 1 0.74 0.02 . 2 . . . . . 31 ILE HG12 . 50124 1 213 . 1 . 1 21 21 ILE HG13 H 1 1.36 0.02 . 2 . . . . . 31 ILE HG13 . 50124 1 214 . 1 . 1 21 21 ILE HG21 H 1 0.49 0.02 . 1 . . . . . 31 ILE MG . 50124 1 215 . 1 . 1 21 21 ILE HG22 H 1 0.49 0.02 . 1 . . . . . 31 ILE MG . 50124 1 216 . 1 . 1 21 21 ILE HG23 H 1 0.49 0.02 . 1 . . . . . 31 ILE MG . 50124 1 217 . 1 . 1 21 21 ILE HD11 H 1 0.36 0.02 . 1 . . . . . 31 ILE MD . 50124 1 218 . 1 . 1 21 21 ILE HD12 H 1 0.36 0.02 . 1 . . . . . 31 ILE MD . 50124 1 219 . 1 . 1 21 21 ILE HD13 H 1 0.36 0.02 . 1 . . . . . 31 ILE MD . 50124 1 220 . 1 . 1 21 21 ILE C C 13 175.57 0.05 . 1 . . . . . 31 ILE C . 50124 1 221 . 1 . 1 21 21 ILE CA C 13 60.4 0.05 . 1 . . . . . 31 ILE CA . 50124 1 222 . 1 . 1 21 21 ILE CB C 13 39.61 0.05 . 1 . . . . . 31 ILE CB . 50124 1 223 . 1 . 1 21 21 ILE CG1 C 13 27.9 0.05 . 1 . . . . . 31 ILE CG1 . 50124 1 224 . 1 . 1 21 21 ILE CG2 C 13 17.13 0.05 . 1 . . . . . 31 ILE CG2 . 50124 1 225 . 1 . 1 21 21 ILE CD1 C 13 13.99 0.05 . 1 . . . . . 31 ILE CD1 . 50124 1 226 . 1 . 1 21 21 ILE N N 15 120.8 0.1 . 1 . . . . . 31 ILE N . 50124 1 227 . 1 . 1 22 22 THR H H 1 8.77 0.02 . 1 . . . . . 32 THR H . 50124 1 228 . 1 . 1 22 22 THR HA H 1 4.88 0.02 . 1 . . . . . 32 THR HA . 50124 1 229 . 1 . 1 22 22 THR HB H 1 4.22 0.02 . 1 . . . . . 32 THR HB . 50124 1 230 . 1 . 1 22 22 THR HG21 H 1 1.17 0.02 . 1 . . . . . 32 THR MG . 50124 1 231 . 1 . 1 22 22 THR HG22 H 1 1.17 0.02 . 1 . . . . . 32 THR MG . 50124 1 232 . 1 . 1 22 22 THR HG23 H 1 1.17 0.02 . 1 . . . . . 32 THR MG . 50124 1 233 . 1 . 1 22 22 THR CA C 13 58.21 0.05 . 1 . . . . . 32 THR CA . 50124 1 234 . 1 . 1 22 22 THR CB C 13 69.77 0.05 . 1 . . . . . 32 THR CB . 50124 1 235 . 1 . 1 22 22 THR CG2 C 13 21.18 0.05 . 1 . . . . . 32 THR CG2 . 50124 1 236 . 1 . 1 22 22 THR N N 15 122 0.1 . 1 . . . . . 32 THR N . 50124 1 237 . 1 . 1 23 23 PRO HA H 1 4.45 0.02 . 1 . . . . . 33 PRO HA . 50124 1 238 . 1 . 1 23 23 PRO HB2 H 1 1.73 0.02 . 2 . . . . . 33 PRO HB2 . 50124 1 239 . 1 . 1 23 23 PRO HB3 H 1 1.76 0.02 . 2 . . . . . 33 PRO HB3 . 50124 1 240 . 1 . 1 23 23 PRO HG2 H 1 1.63 0.02 . 2 . . . . . 33 PRO HG2 . 50124 1 241 . 1 . 1 23 23 PRO HG3 H 1 1.29 0.02 . 2 . . . . . 33 PRO HG3 . 50124 1 242 . 1 . 1 23 23 PRO HD2 H 1 3.53 0.02 . 2 . . . . . 33 PRO HD2 . 50124 1 243 . 1 . 1 23 23 PRO HD3 H 1 3.39 0.02 . 2 . . . . . 33 PRO HD3 . 50124 1 244 . 1 . 1 23 23 PRO C C 13 176.2 0.05 . 1 . . . . . 33 PRO C . 50124 1 245 . 1 . 1 23 23 PRO CA C 13 62.9 0.05 . 1 . . . . . 33 PRO CA . 50124 1 246 . 1 . 1 23 23 PRO CB C 13 31.65 0.05 . 1 . . . . . 33 PRO CB . 50124 1 247 . 1 . 1 23 23 PRO CG C 13 26.96 0.05 . 1 . . . . . 33 PRO CG . 50124 1 248 . 1 . 1 23 23 PRO CD C 13 50.24 0.05 . 1 . . . . . 33 PRO CD . 50124 1 249 . 1 . 1 23 23 PRO N N 15 136.5 0.1 . 1 . . . . . 33 PRO N . 50124 1 250 . 1 . 1 24 24 ALA H H 1 8.09 0.02 . 1 . . . . . 34 ALA H . 50124 1 251 . 1 . 1 24 24 ALA HA H 1 4.38 0.02 . 1 . . . . . 34 ALA HA . 50124 1 252 . 1 . 1 24 24 ALA HB1 H 1 1.42 0.02 . 1 . . . . . 34 ALA MB . 50124 1 253 . 1 . 1 24 24 ALA HB2 H 1 1.42 0.02 . 1 . . . . . 34 ALA MB . 50124 1 254 . 1 . 1 24 24 ALA HB3 H 1 1.42 0.02 . 1 . . . . . 34 ALA MB . 50124 1 255 . 1 . 1 24 24 ALA C C 13 177.42 0.05 . 1 . . . . . 34 ALA C . 50124 1 256 . 1 . 1 24 24 ALA CA C 13 52.12 0.05 . 1 . . . . . 34 ALA CA . 50124 1 257 . 1 . 1 24 24 ALA CB C 13 19.77 0.05 . 1 . . . . . 34 ALA CB . 50124 1 258 . 1 . 1 24 24 ALA N N 15 124 0.1 . 1 . . . . . 34 ALA N . 50124 1 259 . 1 . 1 25 25 ALA H H 1 8.25 0.02 . 1 . . . . . 35 ALA H . 50124 1 260 . 1 . 1 25 25 ALA HA H 1 4.29 0.02 . 1 . . . . . 35 ALA HA . 50124 1 261 . 1 . 1 25 25 ALA HB1 H 1 1.49 0.02 . 1 . . . . . 35 ALA MB . 50124 1 262 . 1 . 1 25 25 ALA HB2 H 1 1.49 0.02 . 1 . . . . . 35 ALA MB . 50124 1 263 . 1 . 1 25 25 ALA HB3 H 1 1.49 0.02 . 1 . . . . . 35 ALA MB . 50124 1 264 . 1 . 1 25 25 ALA C C 13 178.31 0.05 . 1 . . . . . 35 ALA C . 50124 1 265 . 1 . 1 25 25 ALA CA C 13 52.9 0.05 . 1 . . . . . 35 ALA CA . 50124 1 266 . 1 . 1 25 25 ALA CB C 13 18.68 0.05 . 1 . . . . . 35 ALA CB . 50124 1 267 . 1 . 1 25 25 ALA N N 15 122.5 0.1 . 1 . . . . . 35 ALA N . 50124 1 268 . 1 . 1 26 26 GLY H H 1 7.9 0.02 . 1 . . . . . 36 GLY H . 50124 1 269 . 1 . 1 26 26 GLY HA2 H 1 4.12 0.02 . 2 . . . . . 36 GLY HA2 . 50124 1 270 . 1 . 1 26 26 GLY HA3 H 1 3.89 0.02 . 2 . . . . . 36 GLY HA3 . 50124 1 271 . 1 . 1 26 26 GLY C C 13 173.67 0.05 . 1 . . . . . 36 GLY C . 50124 1 272 . 1 . 1 26 26 GLY CA C 13 45.24 0.05 . 1 . . . . . 36 GLY CA . 50124 1 273 . 1 . 1 26 26 GLY N N 15 108 0.1 . 1 . . . . . 36 GLY N . 50124 1 274 . 1 . 1 27 27 ALA H H 1 8.01 0.02 . 1 . . . . . 37 ALA H . 50124 1 275 . 1 . 1 27 27 ALA HA H 1 4.42 0.02 . 1 . . . . . 37 ALA HA . 50124 1 276 . 1 . 1 27 27 ALA HB1 H 1 1.5 0.02 . 1 . . . . . 37 ALA MB . 50124 1 277 . 1 . 1 27 27 ALA HB2 H 1 1.5 0.02 . 1 . . . . . 37 ALA MB . 50124 1 278 . 1 . 1 27 27 ALA HB3 H 1 1.5 0.02 . 1 . . . . . 37 ALA MB . 50124 1 279 . 1 . 1 27 27 ALA C C 13 177.33 0.05 . 1 . . . . . 37 ALA C . 50124 1 280 . 1 . 1 27 27 ALA CA C 13 53.05 0.05 . 1 . . . . . 37 ALA CA . 50124 1 281 . 1 . 1 27 27 ALA CB C 13 20.24 0.05 . 1 . . . . . 37 ALA CB . 50124 1 282 . 1 . 1 27 27 ALA N N 15 122.1 0.1 . 1 . . . . . 37 ALA N . 50124 1 283 . 1 . 1 28 28 GLN H H 1 8.05 0.02 . 1 . . . . . 38 GLN H . 50124 1 284 . 1 . 1 28 28 GLN HA H 1 4.78 0.02 . 1 . . . . . 38 GLN HA . 50124 1 285 . 1 . 1 28 28 GLN HB2 H 1 2.13 0.02 . 2 . . . . . 38 GLN HB2 . 50124 1 286 . 1 . 1 28 28 GLN HB3 H 1 2.05 0.02 . 2 . . . . . 38 GLN HB3 . 50124 1 287 . 1 . 1 28 28 GLN HG2 H 1 2.44 0.02 . 2 . . . . . 38 GLN HG2 . 50124 1 288 . 1 . 1 28 28 GLN HG3 H 1 2.38 0.02 . 2 . . . . . 38 GLN HG3 . 50124 1 289 . 1 . 1 28 28 GLN HE21 H 1 7.43 0.02 . 1 . . . . . 38 GLN HE21 . 50124 1 290 . 1 . 1 28 28 GLN HE22 H 1 6.74 0.02 . 1 . . . . . 38 GLN HE22 . 50124 1 291 . 1 . 1 28 28 GLN C C 13 175.62 0.05 . 1 . . . . . 38 GLN C . 50124 1 292 . 1 . 1 28 28 GLN CA C 13 54.62 0.05 . 1 . . . . . 38 GLN CA . 50124 1 293 . 1 . 1 28 28 GLN CB C 13 29.77 0.05 . 1 . . . . . 38 GLN CB . 50124 1 294 . 1 . 1 28 28 GLN CG C 13 33.99 0.05 . 1 . . . . . 38 GLN CG . 50124 1 295 . 1 . 1 28 28 GLN N N 15 117.5 0.1 . 1 . . . . . 38 GLN N . 50124 1 296 . 1 . 1 28 28 GLN NE2 N 15 111.6 0.1 . 1 . . . . . 38 GLN NE2 . 50124 1 297 . 1 . 1 29 29 GLY H H 1 7.97 0.02 . 1 . . . . . 39 GLY H . 50124 1 298 . 1 . 1 29 29 GLY HA2 H 1 3.43 0.02 . 2 . . . . . 39 GLY HA2 . 50124 1 299 . 1 . 1 29 29 GLY HA3 H 1 4 0.02 . 2 . . . . . 39 GLY HA3 . 50124 1 300 . 1 . 1 29 29 GLY C C 13 171.98 0.05 . 1 . . . . . 39 GLY C . 50124 1 301 . 1 . 1 29 29 GLY CA C 13 44.93 0.05 . 1 . . . . . 39 GLY CA . 50124 1 302 . 1 . 1 29 29 GLY N N 15 110.4 0.1 . 1 . . . . . 39 GLY N . 50124 1 303 . 1 . 1 30 30 SER H H 1 7.78 0.02 . 1 . . . . . 40 SER H . 50124 1 304 . 1 . 1 30 30 SER HA H 1 5.09 0.02 . 1 . . . . . 40 SER HA . 50124 1 305 . 1 . 1 30 30 SER HB2 H 1 3.63 0.02 . 2 . . . . . 40 SER HB2 . 50124 1 306 . 1 . 1 30 30 SER HB3 H 1 3.46 0.02 . 2 . . . . . 40 SER HB3 . 50124 1 307 . 1 . 1 30 30 SER C C 13 173.46 0.05 . 1 . . . . . 40 SER C . 50124 1 308 . 1 . 1 30 30 SER CA C 13 56.18 0.05 . 1 . . . . . 40 SER CA . 50124 1 309 . 1 . 1 30 30 SER CB C 13 65.08 0.05 . 1 . . . . . 40 SER CB . 50124 1 310 . 1 . 1 30 30 SER N N 15 114.3 0.1 . 1 . . . . . 40 SER N . 50124 1 311 . 1 . 1 31 31 ASP H H 1 8.66 0.02 . 1 . . . . . 41 ASP H . 50124 1 312 . 1 . 1 31 31 ASP HA H 1 5.04 0.02 . 1 . . . . . 41 ASP HA . 50124 1 313 . 1 . 1 31 31 ASP HB2 H 1 2.59 0.02 . 2 . . . . . 41 ASP HB2 . 50124 1 314 . 1 . 1 31 31 ASP HB3 H 1 2.59 0.02 . 2 . . . . . 41 ASP HB3 . 50124 1 315 . 1 . 1 31 31 ASP C C 13 175.13 0.05 . 1 . . . . . 41 ASP C . 50124 1 316 . 1 . 1 31 31 ASP CA C 13 53.52 0.05 . 1 . . . . . 41 ASP CA . 50124 1 317 . 1 . 1 31 31 ASP CB C 13 45.08 0.05 . 1 . . . . . 41 ASP CB . 50124 1 318 . 1 . 1 31 31 ASP N N 15 120.6 0.1 . 1 . . . . . 41 ASP N . 50124 1 319 . 1 . 1 32 32 ASP H H 1 8.68 0.02 . 1 . . . . . 42 ASP H . 50124 1 320 . 1 . 1 32 32 ASP HA H 1 4.9 0.02 . 1 . . . . . 42 ASP HA . 50124 1 321 . 1 . 1 32 32 ASP HB2 H 1 3.04 0.02 . 2 . . . . . 42 ASP HB2 . 50124 1 322 . 1 . 1 32 32 ASP HB3 H 1 2.7 0.02 . 2 . . . . . 42 ASP HB3 . 50124 1 323 . 1 . 1 32 32 ASP C C 13 176.48 0.05 . 1 . . . . . 42 ASP C . 50124 1 324 . 1 . 1 32 32 ASP CA C 13 55.24 0.05 . 1 . . . . . 42 ASP CA . 50124 1 325 . 1 . 1 32 32 ASP CB C 13 41.18 0.05 . 1 . . . . . 42 ASP CB . 50124 1 326 . 1 . 1 32 32 ASP N N 15 125.3 0.1 . 1 . . . . . 42 ASP N . 50124 1 327 . 1 . 1 33 33 ILE H H 1 7.88 0.02 . 1 . . . . . 43 ILE H . 50124 1 328 . 1 . 1 33 33 ILE HA H 1 4.72 0.02 . 1 . . . . . 43 ILE HA . 50124 1 329 . 1 . 1 33 33 ILE HB H 1 2.06 0.02 . 1 . . . . . 43 ILE HB . 50124 1 330 . 1 . 1 33 33 ILE HG12 H 1 1.32 0.02 . 2 . . . . . 43 ILE HG12 . 50124 1 331 . 1 . 1 33 33 ILE HG13 H 1 0.85 0.02 . 2 . . . . . 43 ILE HG13 . 50124 1 332 . 1 . 1 33 33 ILE HG21 H 1 0.8 0.02 . 1 . . . . . 43 ILE MG . 50124 1 333 . 1 . 1 33 33 ILE HG22 H 1 0.8 0.02 . 1 . . . . . 43 ILE MG . 50124 1 334 . 1 . 1 33 33 ILE HG23 H 1 0.8 0.02 . 1 . . . . . 43 ILE MG . 50124 1 335 . 1 . 1 33 33 ILE HD11 H 1 0.83 0.02 . 1 . . . . . 43 ILE MD . 50124 1 336 . 1 . 1 33 33 ILE HD12 H 1 0.83 0.02 . 1 . . . . . 43 ILE MD . 50124 1 337 . 1 . 1 33 33 ILE HD13 H 1 0.83 0.02 . 1 . . . . . 43 ILE MD . 50124 1 338 . 1 . 1 33 33 ILE C C 13 174.82 0.05 . 1 . . . . . 43 ILE C . 50124 1 339 . 1 . 1 33 33 ILE CA C 13 60.87 0.05 . 1 . . . . . 43 ILE CA . 50124 1 340 . 1 . 1 33 33 ILE CB C 13 38.21 0.05 . 1 . . . . . 43 ILE CB . 50124 1 341 . 1 . 1 33 33 ILE CG1 C 13 27.27 0.05 . 1 . . . . . 43 ILE CG1 . 50124 1 342 . 1 . 1 33 33 ILE CG2 C 13 18.05 0.05 . 1 . . . . . 43 ILE CG2 . 50124 1 343 . 1 . 1 33 33 ILE CD1 C 13 15.08 0.05 . 1 . . . . . 43 ILE CD1 . 50124 1 344 . 1 . 1 33 33 ILE N N 15 116.6 0.1 . 1 . . . . . 43 ILE N . 50124 1 345 . 1 . 1 34 34 GLY H H 1 8.15 0.02 . 1 . . . . . 44 GLY H . 50124 1 346 . 1 . 1 34 34 GLY HA2 H 1 4.07 0.02 . 2 . . . . . 44 GLY HA2 . 50124 1 347 . 1 . 1 34 34 GLY HA3 H 1 5.13 0.02 . 2 . . . . . 44 GLY HA3 . 50124 1 348 . 1 . 1 34 34 GLY C C 13 172.01 0.05 . 1 . . . . . 44 GLY C . 50124 1 349 . 1 . 1 34 34 GLY CA C 13 44.93 0.05 . 1 . . . . . 44 GLY CA . 50124 1 350 . 1 . 1 34 34 GLY N N 15 108.3 0.1 . 1 . . . . . 44 GLY N . 50124 1 351 . 1 . 1 35 35 TYR H H 1 7.26 0.02 . 1 . . . . . 45 TYR H . 50124 1 352 . 1 . 1 35 35 TYR HA H 1 5.96 0.02 . 1 . . . . . 45 TYR HA . 50124 1 353 . 1 . 1 35 35 TYR HB2 H 1 3.22 0.02 . 2 . . . . . 45 TYR HB2 . 50124 1 354 . 1 . 1 35 35 TYR HB3 H 1 2.91 0.02 . 2 . . . . . 45 TYR HB3 . 50124 1 355 . 1 . 1 35 35 TYR HD1 H 1 6.87 0.02 . 3 . . . . . 45 TYR HD1 . 50124 1 356 . 1 . 1 35 35 TYR HD2 H 1 6.87 0.02 . 3 . . . . . 45 TYR HD2 . 50124 1 357 . 1 . 1 35 35 TYR HE1 H 1 6.57 0.02 . 3 . . . . . 45 TYR HE1 . 50124 1 358 . 1 . 1 35 35 TYR HE2 H 1 6.57 0.02 . 3 . . . . . 45 TYR HE2 . 50124 1 359 . 1 . 1 35 35 TYR C C 13 172.8 0.05 . 1 . . . . . 45 TYR C . 50124 1 360 . 1 . 1 35 35 TYR CA C 13 54.93 0.05 . 1 . . . . . 45 TYR CA . 50124 1 361 . 1 . 1 35 35 TYR CB C 13 41.02 0.05 . 1 . . . . . 45 TYR CB . 50124 1 362 . 1 . 1 35 35 TYR CD1 C 13 133.19 0.05 . 3 . . . . . 45 TYR CD1 . 50124 1 363 . 1 . 1 35 35 TYR CD2 C 13 133.19 0.05 . 3 . . . . . 45 TYR CD2 . 50124 1 364 . 1 . 1 35 35 TYR CE1 C 13 117.55 0.05 . 3 . . . . . 45 TYR CE1 . 50124 1 365 . 1 . 1 35 35 TYR CE2 C 13 117.55 0.05 . 3 . . . . . 45 TYR CE2 . 50124 1 366 . 1 . 1 35 35 TYR N N 15 114.6 0.1 . 1 . . . . . 45 TYR N . 50124 1 367 . 1 . 1 36 36 ALA H H 1 9.78 0.02 . 1 . . . . . 46 ALA H . 50124 1 368 . 1 . 1 36 36 ALA HA H 1 4.99 0.02 . 1 . . . . . 46 ALA HA . 50124 1 369 . 1 . 1 36 36 ALA HB1 H 1 1.06 0.02 . 1 . . . . . 46 ALA MB . 50124 1 370 . 1 . 1 36 36 ALA HB2 H 1 1.06 0.02 . 1 . . . . . 46 ALA MB . 50124 1 371 . 1 . 1 36 36 ALA HB3 H 1 1.06 0.02 . 1 . . . . . 46 ALA MB . 50124 1 372 . 1 . 1 36 36 ALA C C 13 174.47 0.05 . 1 . . . . . 46 ALA C . 50124 1 373 . 1 . 1 36 36 ALA CA C 13 50.4 0.05 . 1 . . . . . 46 ALA CA . 50124 1 374 . 1 . 1 36 36 ALA CB C 13 21.65 0.05 . 1 . . . . . 46 ALA CB . 50124 1 375 . 1 . 1 36 36 ALA N N 15 120.6 0.1 . 1 . . . . . 46 ALA N . 50124 1 376 . 1 . 1 37 37 ILE H H 1 8.83 0.02 . 1 . . . . . 47 ILE H . 50124 1 377 . 1 . 1 37 37 ILE HA H 1 4.14 0.02 . 1 . . . . . 47 ILE HA . 50124 1 378 . 1 . 1 37 37 ILE HB H 1 1.7 0.02 . 1 . . . . . 47 ILE HB . 50124 1 379 . 1 . 1 37 37 ILE HG12 H 1 1.72 0.02 . 2 . . . . . 47 ILE HG12 . 50124 1 380 . 1 . 1 37 37 ILE HG13 H 1 1.07 0.02 . 2 . . . . . 47 ILE HG13 . 50124 1 381 . 1 . 1 37 37 ILE HG21 H 1 -0.42 0.02 . 1 . . . . . 47 ILE MG . 50124 1 382 . 1 . 1 37 37 ILE HG22 H 1 -0.42 0.02 . 1 . . . . . 47 ILE MG . 50124 1 383 . 1 . 1 37 37 ILE HG23 H 1 -0.42 0.02 . 1 . . . . . 47 ILE MG . 50124 1 384 . 1 . 1 37 37 ILE HD11 H 1 1 0.02 . 1 . . . . . 47 ILE MD . 50124 1 385 . 1 . 1 37 37 ILE HD12 H 1 1 0.02 . 1 . . . . . 47 ILE MD . 50124 1 386 . 1 . 1 37 37 ILE HD13 H 1 1 0.02 . 1 . . . . . 47 ILE MD . 50124 1 387 . 1 . 1 37 37 ILE C C 13 173.98 0.05 . 1 . . . . . 47 ILE C . 50124 1 388 . 1 . 1 37 37 ILE CA C 13 59.62 0.05 . 1 . . . . . 47 ILE CA . 50124 1 389 . 1 . 1 37 37 ILE CB C 13 39.61 0.05 . 1 . . . . . 47 ILE CB . 50124 1 390 . 1 . 1 37 37 ILE CG1 C 13 27.27 0.05 . 1 . . . . . 47 ILE CG1 . 50124 1 391 . 1 . 1 37 37 ILE CG2 C 13 17.27 0.05 . 1 . . . . . 47 ILE CG2 . 50124 1 392 . 1 . 1 37 37 ILE CD1 C 13 14.46 0.05 . 1 . . . . . 47 ILE CD1 . 50124 1 393 . 1 . 1 37 37 ILE N N 15 122.8 0.1 . 1 . . . . . 47 ILE N . 50124 1 394 . 1 . 1 38 38 VAL H H 1 9 0.02 . 1 . . . . . 48 VAL H . 50124 1 395 . 1 . 1 38 38 VAL HA H 1 4.22 0.02 . 1 . . . . . 48 VAL HA . 50124 1 396 . 1 . 1 38 38 VAL HB H 1 2.04 0.02 . 1 . . . . . 48 VAL HB . 50124 1 397 . 1 . 1 38 38 VAL HG11 H 1 0.52 0.02 . 2 . . . . . 48 VAL MG1 . 50124 1 398 . 1 . 1 38 38 VAL HG12 H 1 0.52 0.02 . 2 . . . . . 48 VAL MG1 . 50124 1 399 . 1 . 1 38 38 VAL HG13 H 1 0.52 0.02 . 2 . . . . . 48 VAL MG1 . 50124 1 400 . 1 . 1 38 38 VAL HG21 H 1 0.59 0.02 . 2 . . . . . 48 VAL MG2 . 50124 1 401 . 1 . 1 38 38 VAL HG22 H 1 0.59 0.02 . 2 . . . . . 48 VAL MG2 . 50124 1 402 . 1 . 1 38 38 VAL HG23 H 1 0.59 0.02 . 2 . . . . . 48 VAL MG2 . 50124 1 403 . 1 . 1 38 38 VAL C C 13 174.26 0.05 . 1 . . . . . 48 VAL C . 50124 1 404 . 1 . 1 38 38 VAL CA C 13 60.71 0.05 . 1 . . . . . 48 VAL CA . 50124 1 405 . 1 . 1 38 38 VAL CB C 13 31.02 0.05 . 1 . . . . . 48 VAL CB . 50124 1 406 . 1 . 1 38 38 VAL CG1 C 13 19.46 0.05 . 2 . . . . . 48 VAL CG1 . 50124 1 407 . 1 . 1 38 38 VAL CG2 C 13 21.65 0.05 . 2 . . . . . 48 VAL CG2 . 50124 1 408 . 1 . 1 38 38 VAL N N 15 127.6 0.1 . 1 . . . . . 48 VAL N . 50124 1 409 . 1 . 1 39 39 TRP H H 1 8.86 0.02 . 1 . . . . . 49 TRP H . 50124 1 410 . 1 . 1 39 39 TRP HA H 1 4.92 0.02 . 1 . . . . . 49 TRP HA . 50124 1 411 . 1 . 1 39 39 TRP HB2 H 1 3.22 0.02 . 2 . . . . . 49 TRP HB2 . 50124 1 412 . 1 . 1 39 39 TRP HB3 H 1 3.28 0.02 . 2 . . . . . 49 TRP HB3 . 50124 1 413 . 1 . 1 39 39 TRP HD1 H 1 7.09 0.02 . 1 . . . . . 49 TRP HD1 . 50124 1 414 . 1 . 1 39 39 TRP HE1 H 1 10.32 0.02 . 1 . . . . . 49 TRP HE1 . 50124 1 415 . 1 . 1 39 39 TRP HE3 H 1 7.58 0.02 . 1 . . . . . 49 TRP HE3 . 50124 1 416 . 1 . 1 39 39 TRP HZ2 H 1 7.57 0.02 . 1 . . . . . 49 TRP HZ2 . 50124 1 417 . 1 . 1 39 39 TRP HZ3 H 1 7.26 0.02 . 1 . . . . . 49 TRP HZ3 . 50124 1 418 . 1 . 1 39 39 TRP HH2 H 1 6.83 0.02 . 1 . . . . . 49 TRP HH2 . 50124 1 419 . 1 . 1 39 39 TRP C C 13 176.39 0.05 . 1 . . . . . 49 TRP C . 50124 1 420 . 1 . 1 39 39 TRP CA C 13 56.8 0.05 . 1 . . . . . 49 TRP CA . 50124 1 421 . 1 . 1 39 39 TRP CB C 13 29.93 0.05 . 1 . . . . . 49 TRP CB . 50124 1 422 . 1 . 1 39 39 TRP CD1 C 13 127.43 0.05 . 1 . . . . . 49 TRP CD1 . 50124 1 423 . 1 . 1 39 39 TRP CE3 C 13 121.86 0.05 . 1 . . . . . 49 TRP CE3 . 50124 1 424 . 1 . 1 39 39 TRP CZ2 C 13 114.73 0.05 . 1 . . . . . 49 TRP CZ2 . 50124 1 425 . 1 . 1 39 39 TRP CH2 C 13 124.32 0.05 . 1 . . . . . 49 TRP CH2 . 50124 1 426 . 1 . 1 39 39 TRP N N 15 126.7 0.1 . 1 . . . . . 49 TRP N . 50124 1 427 . 1 . 1 39 39 TRP NE1 N 15 129.3 0.1 . 1 . . . . . 49 TRP NE1 . 50124 1 428 . 1 . 1 40 40 ILE H H 1 7.57 0.02 . 1 . . . . . 50 ILE H . 50124 1 429 . 1 . 1 40 40 ILE HA H 1 4.39 0.02 . 1 . . . . . 50 ILE HA . 50124 1 430 . 1 . 1 40 40 ILE HB H 1 1.71 0.02 . 1 . . . . . 50 ILE HB . 50124 1 431 . 1 . 1 40 40 ILE HG12 H 1 1.38 0.02 . 2 . . . . . 50 ILE HG12 . 50124 1 432 . 1 . 1 40 40 ILE HG13 H 1 1.17 0.02 . 2 . . . . . 50 ILE HG13 . 50124 1 433 . 1 . 1 40 40 ILE HG21 H 1 0.97 0.02 . 1 . . . . . 50 ILE MG . 50124 1 434 . 1 . 1 40 40 ILE HG22 H 1 0.97 0.02 . 1 . . . . . 50 ILE MG . 50124 1 435 . 1 . 1 40 40 ILE HG23 H 1 0.97 0.02 . 1 . . . . . 50 ILE MG . 50124 1 436 . 1 . 1 40 40 ILE HD11 H 1 0.54 0.02 . 1 . . . . . 50 ILE MD . 50124 1 437 . 1 . 1 40 40 ILE HD12 H 1 0.54 0.02 . 1 . . . . . 50 ILE MD . 50124 1 438 . 1 . 1 40 40 ILE HD13 H 1 0.54 0.02 . 1 . . . . . 50 ILE MD . 50124 1 439 . 1 . 1 40 40 ILE C C 13 176.41 0.05 . 1 . . . . . 50 ILE C . 50124 1 440 . 1 . 1 40 40 ILE CA C 13 60.4 0.05 . 1 . . . . . 50 ILE CA . 50124 1 441 . 1 . 1 40 40 ILE CB C 13 38.36 0.05 . 1 . . . . . 50 ILE CB . 50124 1 442 . 1 . 1 40 40 ILE CG1 C 13 27.43 0.05 . 1 . . . . . 50 ILE CG1 . 50124 1 443 . 1 . 1 40 40 ILE CG2 C 13 18.36 0.05 . 1 . . . . . 50 ILE CG2 . 50124 1 444 . 1 . 1 40 40 ILE CD1 C 13 12.74 0.05 . 1 . . . . . 50 ILE CD1 . 50124 1 445 . 1 . 1 40 40 ILE N N 15 124.6 0.1 . 1 . . . . . 50 ILE N . 50124 1 446 . 1 . 1 41 41 LYS H H 1 8.36 0.02 . 1 . . . . . 51 LYS H . 50124 1 447 . 1 . 1 41 41 LYS HA H 1 4.37 0.02 . 1 . . . . . 51 LYS HA . 50124 1 448 . 1 . 1 41 41 LYS HB2 H 1 1.68 0.02 . 2 . . . . . 51 LYS HB2 . 50124 1 449 . 1 . 1 41 41 LYS HB3 H 1 1.94 0.02 . 2 . . . . . 51 LYS HB3 . 50124 1 450 . 1 . 1 41 41 LYS HG2 H 1 1.4 0.02 . 2 . . . . . 51 LYS HG2 . 50124 1 451 . 1 . 1 41 41 LYS HG3 H 1 1.37 0.02 . 2 . . . . . 51 LYS HG3 . 50124 1 452 . 1 . 1 41 41 LYS HD2 H 1 1.62 0.02 . 2 . . . . . 51 LYS HD2 . 50124 1 453 . 1 . 1 41 41 LYS HD3 H 1 1.6 0.02 . 2 . . . . . 51 LYS HD3 . 50124 1 454 . 1 . 1 41 41 LYS HE2 H 1 2.88 0.02 . 2 . . . . . 51 LYS HE2 . 50124 1 455 . 1 . 1 41 41 LYS HE3 H 1 2.88 0.02 . 2 . . . . . 51 LYS HE3 . 50124 1 456 . 1 . 1 41 41 LYS C C 13 175.62 0.05 . 1 . . . . . 51 LYS C . 50124 1 457 . 1 . 1 41 41 LYS CA C 13 56.8 0.05 . 1 . . . . . 51 LYS CA . 50124 1 458 . 1 . 1 41 41 LYS CB C 13 32.43 0.05 . 1 . . . . . 51 LYS CB . 50124 1 459 . 1 . 1 41 41 LYS CG C 13 24.61 0.05 . 1 . . . . . 51 LYS CG . 50124 1 460 . 1 . 1 41 41 LYS CD C 13 28.83 0.05 . 1 . . . . . 51 LYS CD . 50124 1 461 . 1 . 1 41 41 LYS CE C 13 41.8 0.05 . 1 . . . . . 51 LYS CE . 50124 1 462 . 1 . 1 41 41 LYS N N 15 126.2 0.1 . 1 . . . . . 51 LYS N . 50124 1 463 . 1 . 1 42 42 ASP H H 1 7.65 0.02 . 1 . . . . . 52 ASP H . 50124 1 464 . 1 . 1 42 42 ASP HA H 1 4.65 0.02 . 1 . . . . . 52 ASP HA . 50124 1 465 . 1 . 1 42 42 ASP HB2 H 1 2.52 0.02 . 2 . . . . . 52 ASP HB2 . 50124 1 466 . 1 . 1 42 42 ASP HB3 H 1 2.52 0.02 . 2 . . . . . 52 ASP HB3 . 50124 1 467 . 1 . 1 42 42 ASP C C 13 175.2 0.05 . 1 . . . . . 52 ASP C . 50124 1 468 . 1 . 1 42 42 ASP CA C 13 53.37 0.05 . 1 . . . . . 52 ASP CA . 50124 1 469 . 1 . 1 42 42 ASP CB C 13 42.9 0.05 . 1 . . . . . 52 ASP CB . 50124 1 470 . 1 . 1 42 42 ASP N N 15 117.6 0.1 . 1 . . . . . 52 ASP N . 50124 1 471 . 1 . 1 43 43 GLN H H 1 8.65 0.02 . 1 . . . . . 53 GLN H . 50124 1 472 . 1 . 1 43 43 GLN HA H 1 4.19 0.02 . 1 . . . . . 53 GLN HA . 50124 1 473 . 1 . 1 43 43 GLN HB2 H 1 2 0.02 . 2 . . . . . 53 GLN HB2 . 50124 1 474 . 1 . 1 43 43 GLN HB3 H 1 2.08 0.02 . 2 . . . . . 53 GLN HB3 . 50124 1 475 . 1 . 1 43 43 GLN HG2 H 1 2.28 0.02 . 2 . . . . . 53 GLN HG2 . 50124 1 476 . 1 . 1 43 43 GLN HG3 H 1 2.31 0.02 . 2 . . . . . 53 GLN HG3 . 50124 1 477 . 1 . 1 43 43 GLN HE21 H 1 7.43 0.02 . 1 . . . . . 53 GLN HE21 . 50124 1 478 . 1 . 1 43 43 GLN HE22 H 1 6.65 0.02 . 1 . . . . . 53 GLN HE22 . 50124 1 479 . 1 . 1 43 43 GLN C C 13 175.1 0.05 . 1 . . . . . 53 GLN C . 50124 1 480 . 1 . 1 43 43 GLN CA C 13 56.33 0.05 . 1 . . . . . 53 GLN CA . 50124 1 481 . 1 . 1 43 43 GLN CB C 13 27.74 0.05 . 1 . . . . . 53 GLN CB . 50124 1 482 . 1 . 1 43 43 GLN CG C 13 33.83 0.05 . 1 . . . . . 53 GLN CG . 50124 1 483 . 1 . 1 43 43 GLN N N 15 119.3 0.1 . 1 . . . . . 53 GLN N . 50124 1 484 . 1 . 1 43 43 GLN NE2 N 15 111.7 0.1 . 1 . . . . . 53 GLN NE2 . 50124 1 485 . 1 . 1 44 44 VAL H H 1 7.5 0.02 . 1 . . . . . 54 VAL H . 50124 1 486 . 1 . 1 44 44 VAL HA H 1 4.29 0.02 . 1 . . . . . 54 VAL HA . 50124 1 487 . 1 . 1 44 44 VAL HB H 1 2.14 0.02 . 1 . . . . . 54 VAL HB . 50124 1 488 . 1 . 1 44 44 VAL HG11 H 1 0.78 0.02 . 2 . . . . . 54 VAL MG1 . 50124 1 489 . 1 . 1 44 44 VAL HG12 H 1 0.78 0.02 . 2 . . . . . 54 VAL MG1 . 50124 1 490 . 1 . 1 44 44 VAL HG13 H 1 0.78 0.02 . 2 . . . . . 54 VAL MG1 . 50124 1 491 . 1 . 1 44 44 VAL HG21 H 1 0.67 0.02 . 2 . . . . . 54 VAL MG2 . 50124 1 492 . 1 . 1 44 44 VAL HG22 H 1 0.67 0.02 . 2 . . . . . 54 VAL MG2 . 50124 1 493 . 1 . 1 44 44 VAL HG23 H 1 0.67 0.02 . 2 . . . . . 54 VAL MG2 . 50124 1 494 . 1 . 1 44 44 VAL C C 13 174.63 0.05 . 1 . . . . . 54 VAL C . 50124 1 495 . 1 . 1 44 44 VAL CA C 13 60.71 0.05 . 1 . . . . . 54 VAL CA . 50124 1 496 . 1 . 1 44 44 VAL CB C 13 33.83 0.05 . 1 . . . . . 54 VAL CB . 50124 1 497 . 1 . 1 44 44 VAL CG1 C 13 21.96 0.05 . 2 . . . . . 54 VAL CG1 . 50124 1 498 . 1 . 1 44 44 VAL CG2 C 13 19.77 0.05 . 2 . . . . . 54 VAL CG2 . 50124 1 499 . 1 . 1 44 44 VAL N N 15 119.3 0.1 . 1 . . . . . 54 VAL N . 50124 1 500 . 1 . 1 45 45 ASN H H 1 9.25 0.02 . 1 . . . . . 55 ASN H . 50124 1 501 . 1 . 1 45 45 ASN HA H 1 4.69 0.02 . 1 . . . . . 55 ASN HA . 50124 1 502 . 1 . 1 45 45 ASN HB2 H 1 2.71 0.02 . 2 . . . . . 55 ASN HB2 . 50124 1 503 . 1 . 1 45 45 ASN HB3 H 1 2.71 0.02 . 2 . . . . . 55 ASN HB3 . 50124 1 504 . 1 . 1 45 45 ASN HD21 H 1 8.1 0.02 . 1 . . . . . 55 ASN HD21 . 50124 1 505 . 1 . 1 45 45 ASN HD22 H 1 6.77 0.02 . 1 . . . . . 55 ASN HD22 . 50124 1 506 . 1 . 1 45 45 ASN C C 13 173.84 0.05 . 1 . . . . . 55 ASN C . 50124 1 507 . 1 . 1 45 45 ASN CA C 13 54.15 0.05 . 1 . . . . . 55 ASN CA . 50124 1 508 . 1 . 1 45 45 ASN CB C 13 40.71 0.05 . 1 . . . . . 55 ASN CB . 50124 1 509 . 1 . 1 45 45 ASN N N 15 121.2 0.1 . 1 . . . . . 55 ASN N . 50124 1 510 . 1 . 1 45 45 ASN ND2 N 15 115.3 0.1 . 1 . . . . . 55 ASN ND2 . 50124 1 511 . 1 . 1 46 46 ASP H H 1 7.72 0.02 . 1 . . . . . 56 ASP H . 50124 1 512 . 1 . 1 46 46 ASP HA H 1 4.93 0.02 . 1 . . . . . 56 ASP HA . 50124 1 513 . 1 . 1 46 46 ASP HB2 H 1 2.75 0.02 . 2 . . . . . 56 ASP HB2 . 50124 1 514 . 1 . 1 46 46 ASP HB3 H 1 2.51 0.02 . 2 . . . . . 56 ASP HB3 . 50124 1 515 . 1 . 1 46 46 ASP C C 13 174.33 0.05 . 1 . . . . . 56 ASP C . 50124 1 516 . 1 . 1 46 46 ASP CA C 13 53.37 0.05 . 1 . . . . . 56 ASP CA . 50124 1 517 . 1 . 1 46 46 ASP CB C 13 42.74 0.05 . 1 . . . . . 56 ASP CB . 50124 1 518 . 1 . 1 46 46 ASP N N 15 115.1 0.1 . 1 . . . . . 56 ASP N . 50124 1 519 . 1 . 1 47 47 VAL H H 1 8.63 0.02 . 1 . . . . . 57 VAL H . 50124 1 520 . 1 . 1 47 47 VAL HA H 1 4.59 0.02 . 1 . . . . . 57 VAL HA . 50124 1 521 . 1 . 1 47 47 VAL HB H 1 1.94 0.02 . 1 . . . . . 57 VAL HB . 50124 1 522 . 1 . 1 47 47 VAL HG11 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG1 . 50124 1 523 . 1 . 1 47 47 VAL HG12 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG1 . 50124 1 524 . 1 . 1 47 47 VAL HG13 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG1 . 50124 1 525 . 1 . 1 47 47 VAL HG21 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG2 . 50124 1 526 . 1 . 1 47 47 VAL HG22 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG2 . 50124 1 527 . 1 . 1 47 47 VAL HG23 H 1 0.85 0.02 . 2 . . . . . 57 VAL MG2 . 50124 1 528 . 1 . 1 47 47 VAL C C 13 173.79 0.05 . 1 . . . . . 57 VAL C . 50124 1 529 . 1 . 1 47 47 VAL CA C 13 61.02 0.05 . 1 . . . . . 57 VAL CA . 50124 1 530 . 1 . 1 47 47 VAL CB C 13 35.86 0.05 . 1 . . . . . 57 VAL CB . 50124 1 531 . 1 . 1 47 47 VAL CG1 C 13 21.65 0.05 . 2 . . . . . 57 VAL CG1 . 50124 1 532 . 1 . 1 47 47 VAL CG2 C 13 21.65 0.05 . 2 . . . . . 57 VAL CG2 . 50124 1 533 . 1 . 1 47 47 VAL N N 15 118 0.1 . 1 . . . . . 57 VAL N . 50124 1 534 . 1 . 1 48 48 LYS H H 1 8.73 0.02 . 1 . . . . . 58 LYS H . 50124 1 535 . 1 . 1 48 48 LYS HA H 1 5.2 0.02 . 1 . . . . . 58 LYS HA . 50124 1 536 . 1 . 1 48 48 LYS HB2 H 1 1.61 0.02 . 2 . . . . . 58 LYS HB2 . 50124 1 537 . 1 . 1 48 48 LYS HB3 H 1 1.79 0.02 . 2 . . . . . 58 LYS HB3 . 50124 1 538 . 1 . 1 48 48 LYS HG2 H 1 1.29 0.02 . 2 . . . . . 58 LYS HG2 . 50124 1 539 . 1 . 1 48 48 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 58 LYS HG3 . 50124 1 540 . 1 . 1 48 48 LYS HD2 H 1 1.58 0.02 . 2 . . . . . 58 LYS HD2 . 50124 1 541 . 1 . 1 48 48 LYS HD3 H 1 1.58 0.02 . 2 . . . . . 58 LYS HD3 . 50124 1 542 . 1 . 1 48 48 LYS HE2 H 1 3.09 0.02 . 2 . . . . . 58 LYS HE2 . 50124 1 543 . 1 . 1 48 48 LYS HE3 H 1 3.09 0.02 . 2 . . . . . 58 LYS HE3 . 50124 1 544 . 1 . 1 48 48 LYS C C 13 174.84 0.05 . 1 . . . . . 58 LYS C . 50124 1 545 . 1 . 1 48 48 LYS CA C 13 55.24 0.05 . 1 . . . . . 58 LYS CA . 50124 1 546 . 1 . 1 48 48 LYS CB C 13 34.46 0.05 . 1 . . . . . 58 LYS CB . 50124 1 547 . 1 . 1 48 48 LYS CG C 13 25.86 0.05 . 1 . . . . . 58 LYS CG . 50124 1 548 . 1 . 1 48 48 LYS CD C 13 29.3 0.05 . 1 . . . . . 58 LYS CD . 50124 1 549 . 1 . 1 48 48 LYS CE C 13 41.96 0.05 . 1 . . . . . 58 LYS CE . 50124 1 550 . 1 . 1 48 48 LYS N N 15 126.3 0.1 . 1 . . . . . 58 LYS N . 50124 1 551 . 1 . 1 49 49 LEU H H 1 9.33 0.02 . 1 . . . . . 59 LEU H . 50124 1 552 . 1 . 1 49 49 LEU HA H 1 5.13 0.02 . 1 . . . . . 59 LEU HA . 50124 1 553 . 1 . 1 49 49 LEU HB2 H 1 1.62 0.02 . 2 . . . . . 59 LEU HB2 . 50124 1 554 . 1 . 1 49 49 LEU HB3 H 1 1.37 0.02 . 2 . . . . . 59 LEU HB3 . 50124 1 555 . 1 . 1 49 49 LEU HG H 1 1.56 0.02 . 1 . . . . . 59 LEU HG . 50124 1 556 . 1 . 1 49 49 LEU HD11 H 1 0.78 0.02 . 2 . . . . . 59 LEU MD1 . 50124 1 557 . 1 . 1 49 49 LEU HD12 H 1 0.78 0.02 . 2 . . . . . 59 LEU MD1 . 50124 1 558 . 1 . 1 49 49 LEU HD13 H 1 0.78 0.02 . 2 . . . . . 59 LEU MD1 . 50124 1 559 . 1 . 1 49 49 LEU HD21 H 1 0.75 0.02 . 2 . . . . . 59 LEU MD2 . 50124 1 560 . 1 . 1 49 49 LEU HD22 H 1 0.75 0.02 . 2 . . . . . 59 LEU MD2 . 50124 1 561 . 1 . 1 49 49 LEU HD23 H 1 0.75 0.02 . 2 . . . . . 59 LEU MD2 . 50124 1 562 . 1 . 1 49 49 LEU C C 13 174.19 0.05 . 1 . . . . . 59 LEU C . 50124 1 563 . 1 . 1 49 49 LEU CA C 13 53.21 0.05 . 1 . . . . . 59 LEU CA . 50124 1 564 . 1 . 1 49 49 LEU CB C 13 46.65 0.05 . 1 . . . . . 59 LEU CB . 50124 1 565 . 1 . 1 49 49 LEU CG C 13 26.96 0.05 . 1 . . . . . 59 LEU CG . 50124 1 566 . 1 . 1 49 49 LEU CD1 C 13 25.86 0.05 . 2 . . . . . 59 LEU CD1 . 50124 1 567 . 1 . 1 49 49 LEU CD2 C 13 25.71 0.05 . 2 . . . . . 59 LEU CD2 . 50124 1 568 . 1 . 1 49 49 LEU N N 15 126.3 0.1 . 1 . . . . . 59 LEU N . 50124 1 569 . 1 . 1 50 50 LYS H H 1 9.51 0.02 . 1 . . . . . 60 LYS H . 50124 1 570 . 1 . 1 50 50 LYS HA H 1 5.13 0.02 . 1 . . . . . 60 LYS HA . 50124 1 571 . 1 . 1 50 50 LYS HB2 H 1 1.56 0.02 . 2 . . . . . 60 LYS HB2 . 50124 1 572 . 1 . 1 50 50 LYS HB3 H 1 1.94 0.02 . 2 . . . . . 60 LYS HB3 . 50124 1 573 . 1 . 1 50 50 LYS HG2 H 1 1.23 0.02 . 2 . . . . . 60 LYS HG2 . 50124 1 574 . 1 . 1 50 50 LYS HG3 H 1 1.23 0.02 . 2 . . . . . 60 LYS HG3 . 50124 1 575 . 1 . 1 50 50 LYS HD2 H 1 1.58 0.02 . 2 . . . . . 60 LYS HD2 . 50124 1 576 . 1 . 1 50 50 LYS HD3 H 1 1.63 0.02 . 2 . . . . . 60 LYS HD3 . 50124 1 577 . 1 . 1 50 50 LYS HE2 H 1 2.81 0.02 . 2 . . . . . 60 LYS HE2 . 50124 1 578 . 1 . 1 50 50 LYS HE3 H 1 2.81 0.02 . 2 . . . . . 60 LYS HE3 . 50124 1 579 . 1 . 1 50 50 LYS C C 13 175.66 0.05 . 1 . . . . . 60 LYS C . 50124 1 580 . 1 . 1 50 50 LYS CA C 13 55.4 0.05 . 1 . . . . . 60 LYS CA . 50124 1 581 . 1 . 1 50 50 LYS CB C 13 34.93 0.05 . 1 . . . . . 60 LYS CB . 50124 1 582 . 1 . 1 50 50 LYS CG C 13 25.24 0.05 . 1 . . . . . 60 LYS CG . 50124 1 583 . 1 . 1 50 50 LYS CD C 13 29.46 0.05 . 1 . . . . . 60 LYS CD . 50124 1 584 . 1 . 1 50 50 LYS CE C 13 41.96 0.05 . 1 . . . . . 60 LYS CE . 50124 1 585 . 1 . 1 50 50 LYS N N 15 125.6 0.1 . 1 . . . . . 60 LYS N . 50124 1 586 . 1 . 1 51 51 VAL H H 1 9.14 0.02 . 1 . . . . . 61 VAL H . 50124 1 587 . 1 . 1 51 51 VAL HA H 1 4.73 0.02 . 1 . . . . . 61 VAL HA . 50124 1 588 . 1 . 1 51 51 VAL HB H 1 1.83 0.02 . 1 . . . . . 61 VAL HB . 50124 1 589 . 1 . 1 51 51 VAL HG11 H 1 0.65 0.02 . 2 . . . . . 61 VAL MG1 . 50124 1 590 . 1 . 1 51 51 VAL HG12 H 1 0.65 0.02 . 2 . . . . . 61 VAL MG1 . 50124 1 591 . 1 . 1 51 51 VAL HG13 H 1 0.65 0.02 . 2 . . . . . 61 VAL MG1 . 50124 1 592 . 1 . 1 51 51 VAL HG21 H 1 0.82 0.02 . 2 . . . . . 61 VAL MG2 . 50124 1 593 . 1 . 1 51 51 VAL HG22 H 1 0.82 0.02 . 2 . . . . . 61 VAL MG2 . 50124 1 594 . 1 . 1 51 51 VAL HG23 H 1 0.82 0.02 . 2 . . . . . 61 VAL MG2 . 50124 1 595 . 1 . 1 51 51 VAL C C 13 174.38 0.05 . 1 . . . . . 61 VAL C . 50124 1 596 . 1 . 1 51 51 VAL CA C 13 60.55 0.05 . 1 . . . . . 61 VAL CA . 50124 1 597 . 1 . 1 51 51 VAL CB C 13 33.99 0.05 . 1 . . . . . 61 VAL CB . 50124 1 598 . 1 . 1 51 51 VAL CG1 C 13 21.33 0.05 . 2 . . . . . 61 VAL CG1 . 50124 1 599 . 1 . 1 51 51 VAL CG2 C 13 21.49 0.05 . 2 . . . . . 61 VAL CG2 . 50124 1 600 . 1 . 1 51 51 VAL N N 15 128.7 0.1 . 1 . . . . . 61 VAL N . 50124 1 601 . 1 . 1 52 52 THR H H 1 8.37 0.02 . 1 . . . . . 62 THR H . 50124 1 602 . 1 . 1 52 52 THR HA H 1 5.14 0.02 . 1 . . . . . 62 THR HA . 50124 1 603 . 1 . 1 52 52 THR HB H 1 3.75 0.02 . 1 . . . . . 62 THR HB . 50124 1 604 . 1 . 1 52 52 THR HG21 H 1 0.99 0.02 . 1 . . . . . 62 THR MG . 50124 1 605 . 1 . 1 52 52 THR HG22 H 1 0.99 0.02 . 1 . . . . . 62 THR MG . 50124 1 606 . 1 . 1 52 52 THR HG23 H 1 0.99 0.02 . 1 . . . . . 62 THR MG . 50124 1 607 . 1 . 1 52 52 THR C C 13 173.41 0.05 . 1 . . . . . 62 THR C . 50124 1 608 . 1 . 1 52 52 THR CA C 13 61.18 0.05 . 1 . . . . . 62 THR CA . 50124 1 609 . 1 . 1 52 52 THR CB C 13 72.27 0.05 . 1 . . . . . 62 THR CB . 50124 1 610 . 1 . 1 52 52 THR CG2 C 13 21.18 0.05 . 1 . . . . . 62 THR CG2 . 50124 1 611 . 1 . 1 52 52 THR N N 15 120.6 0.1 . 1 . . . . . 62 THR N . 50124 1 612 . 1 . 1 53 53 LEU H H 1 9.06 0.02 . 1 . . . . . 63 LEU H . 50124 1 613 . 1 . 1 53 53 LEU HA H 1 3.99 0.02 . 1 . . . . . 63 LEU HA . 50124 1 614 . 1 . 1 53 53 LEU HB2 H 1 1.95 0.02 . 2 . . . . . 63 LEU HB2 . 50124 1 615 . 1 . 1 53 53 LEU HB3 H 1 0.98 0.02 . 2 . . . . . 63 LEU HB3 . 50124 1 616 . 1 . 1 53 53 LEU HG H 1 1.13 0.02 . 1 . . . . . 63 LEU HG . 50124 1 617 . 1 . 1 53 53 LEU HD11 H 1 0.53 0.02 . 2 . . . . . 63 LEU MD1 . 50124 1 618 . 1 . 1 53 53 LEU HD12 H 1 0.53 0.02 . 2 . . . . . 63 LEU MD1 . 50124 1 619 . 1 . 1 53 53 LEU HD13 H 1 0.53 0.02 . 2 . . . . . 63 LEU MD1 . 50124 1 620 . 1 . 1 53 53 LEU HD21 H 1 0.31 0.02 . 2 . . . . . 63 LEU MD2 . 50124 1 621 . 1 . 1 53 53 LEU HD22 H 1 0.31 0.02 . 2 . . . . . 63 LEU MD2 . 50124 1 622 . 1 . 1 53 53 LEU HD23 H 1 0.31 0.02 . 2 . . . . . 63 LEU MD2 . 50124 1 623 . 1 . 1 53 53 LEU C C 13 174.12 0.05 . 1 . . . . . 63 LEU C . 50124 1 624 . 1 . 1 53 53 LEU CA C 13 54.15 0.05 . 1 . . . . . 63 LEU CA . 50124 1 625 . 1 . 1 53 53 LEU CB C 13 40.87 0.05 . 1 . . . . . 63 LEU CB . 50124 1 626 . 1 . 1 53 53 LEU CG C 13 27.11 0.05 . 1 . . . . . 63 LEU CG . 50124 1 627 . 1 . 1 53 53 LEU CD1 C 13 25.71 0.05 . 2 . . . . . 63 LEU CD1 . 50124 1 628 . 1 . 1 53 53 LEU CD2 C 13 23.36 0.05 . 2 . . . . . 63 LEU CD2 . 50124 1 629 . 1 . 1 53 53 LEU N N 15 128.9 0.1 . 1 . . . . . 63 LEU N . 50124 1 630 . 1 . 1 54 54 ALA H H 1 8.79 0.02 . 1 . . . . . 64 ALA H . 50124 1 631 . 1 . 1 54 54 ALA HA H 1 4.05 0.02 . 1 . . . . . 64 ALA HA . 50124 1 632 . 1 . 1 54 54 ALA HB1 H 1 1.17 0.02 . 1 . . . . . 64 ALA MB . 50124 1 633 . 1 . 1 54 54 ALA HB2 H 1 1.17 0.02 . 1 . . . . . 64 ALA MB . 50124 1 634 . 1 . 1 54 54 ALA HB3 H 1 1.17 0.02 . 1 . . . . . 64 ALA MB . 50124 1 635 . 1 . 1 54 54 ALA C C 13 177.91 0.05 . 1 . . . . . 64 ALA C . 50124 1 636 . 1 . 1 54 54 ALA CA C 13 53.83 0.05 . 1 . . . . . 64 ALA CA . 50124 1 637 . 1 . 1 54 54 ALA CB C 13 19.3 0.05 . 1 . . . . . 64 ALA CB . 50124 1 638 . 1 . 1 54 54 ALA N N 15 134.6 0.1 . 1 . . . . . 64 ALA N . 50124 1 639 . 1 . 1 55 55 ASN H H 1 8.16 0.02 . 1 . . . . . 65 ASN H . 50124 1 640 . 1 . 1 55 55 ASN HA H 1 5.19 0.02 . 1 . . . . . 65 ASN HA . 50124 1 641 . 1 . 1 55 55 ASN HB2 H 1 3.12 0.02 . 2 . . . . . 65 ASN HB2 . 50124 1 642 . 1 . 1 55 55 ASN HB3 H 1 2.29 0.02 . 2 . . . . . 65 ASN HB3 . 50124 1 643 . 1 . 1 55 55 ASN HD21 H 1 7.38 0.02 . 1 . . . . . 65 ASN HD21 . 50124 1 644 . 1 . 1 55 55 ASN HD22 H 1 6.98 0.02 . 1 . . . . . 65 ASN HD22 . 50124 1 645 . 1 . 1 55 55 ASN C C 13 175.38 0.05 . 1 . . . . . 65 ASN C . 50124 1 646 . 1 . 1 55 55 ASN CA C 13 51.49 0.05 . 1 . . . . . 65 ASN CA . 50124 1 647 . 1 . 1 55 55 ASN CB C 13 36.96 0.05 . 1 . . . . . 65 ASN CB . 50124 1 648 . 1 . 1 55 55 ASN N N 15 114.2 0.1 . 1 . . . . . 65 ASN N . 50124 1 649 . 1 . 1 55 55 ASN ND2 N 15 111.3 0.1 . 1 . . . . . 65 ASN ND2 . 50124 1 650 . 1 . 1 56 56 ALA H H 1 6.84 0.02 . 1 . . . . . 66 ALA H . 50124 1 651 . 1 . 1 56 56 ALA HA H 1 3.67 0.02 . 1 . . . . . 66 ALA HA . 50124 1 652 . 1 . 1 56 56 ALA HB1 H 1 1.51 0.02 . 1 . . . . . 66 ALA MB . 50124 1 653 . 1 . 1 56 56 ALA HB2 H 1 1.51 0.02 . 1 . . . . . 66 ALA MB . 50124 1 654 . 1 . 1 56 56 ALA HB3 H 1 1.51 0.02 . 1 . . . . . 66 ALA MB . 50124 1 655 . 1 . 1 56 56 ALA C C 13 178.83 0.05 . 1 . . . . . 66 ALA C . 50124 1 656 . 1 . 1 56 56 ALA CA C 13 56.02 0.05 . 1 . . . . . 66 ALA CA . 50124 1 657 . 1 . 1 56 56 ALA CB C 13 18.21 0.05 . 1 . . . . . 66 ALA CB . 50124 1 658 . 1 . 1 56 56 ALA N N 15 120.8 0.1 . 1 . . . . . 66 ALA N . 50124 1 659 . 1 . 1 57 57 GLU H H 1 8.68 0.02 . 1 . . . . . 67 GLU H . 50124 1 660 . 1 . 1 57 57 GLU HA H 1 3.91 0.02 . 1 . . . . . 67 GLU HA . 50124 1 661 . 1 . 1 57 57 GLU HB2 H 1 2.01 0.02 . 2 . . . . . 67 GLU HB2 . 50124 1 662 . 1 . 1 57 57 GLU HB3 H 1 2.01 0.02 . 2 . . . . . 67 GLU HB3 . 50124 1 663 . 1 . 1 57 57 GLU HG2 H 1 2.33 0.02 . 2 . . . . . 67 GLU HG2 . 50124 1 664 . 1 . 1 57 57 GLU HG3 H 1 2.35 0.02 . 2 . . . . . 67 GLU HG3 . 50124 1 665 . 1 . 1 57 57 GLU C C 13 178.59 0.05 . 1 . . . . . 67 GLU C . 50124 1 666 . 1 . 1 57 57 GLU CA C 13 59.46 0.05 . 1 . . . . . 67 GLU CA . 50124 1 667 . 1 . 1 57 57 GLU CB C 13 29.15 0.05 . 1 . . . . . 67 GLU CB . 50124 1 668 . 1 . 1 57 57 GLU CG C 13 36.18 0.05 . 1 . . . . . 67 GLU CG . 50124 1 669 . 1 . 1 57 57 GLU N N 15 113.8 0.1 . 1 . . . . . 67 GLU N . 50124 1 670 . 1 . 1 58 58 GLN H H 1 7.38 0.02 . 1 . . . . . 68 GLN H . 50124 1 671 . 1 . 1 58 58 GLN HA H 1 4.11 0.02 . 1 . . . . . 68 GLN HA . 50124 1 672 . 1 . 1 58 58 GLN HB2 H 1 2.29 0.02 . 2 . . . . . 68 GLN HB2 . 50124 1 673 . 1 . 1 58 58 GLN HB3 H 1 2.16 0.02 . 2 . . . . . 68 GLN HB3 . 50124 1 674 . 1 . 1 58 58 GLN HG2 H 1 2.41 0.02 . 2 . . . . . 68 GLN HG2 . 50124 1 675 . 1 . 1 58 58 GLN HG3 H 1 2.49 0.02 . 2 . . . . . 68 GLN HG3 . 50124 1 676 . 1 . 1 58 58 GLN HE21 H 1 7.42 0.02 . 1 . . . . . 68 GLN HE21 . 50124 1 677 . 1 . 1 58 58 GLN HE22 H 1 6.62 0.02 . 1 . . . . . 68 GLN HE22 . 50124 1 678 . 1 . 1 58 58 GLN C C 13 177.07 0.05 . 1 . . . . . 68 GLN C . 50124 1 679 . 1 . 1 58 58 GLN CA C 13 57.74 0.05 . 1 . . . . . 68 GLN CA . 50124 1 680 . 1 . 1 58 58 GLN CB C 13 28.52 0.05 . 1 . . . . . 68 GLN CB . 50124 1 681 . 1 . 1 58 58 GLN CG C 13 34.22 0.05 . 1 . . . . . 68 GLN CG . 50124 1 682 . 1 . 1 58 58 GLN N N 15 117.4 0.1 . 1 . . . . . 68 GLN N . 50124 1 683 . 1 . 1 58 58 GLN NE2 N 15 110.6 0.1 . 1 . . . . . 68 GLN NE2 . 50124 1 684 . 1 . 1 59 59 LEU H H 1 7.34 0.02 . 1 . . . . . 69 LEU H . 50124 1 685 . 1 . 1 59 59 LEU HA H 1 4.48 0.02 . 1 . . . . . 69 LEU HA . 50124 1 686 . 1 . 1 59 59 LEU HB2 H 1 1.5 0.02 . 2 . . . . . 69 LEU HB2 . 50124 1 687 . 1 . 1 59 59 LEU HB3 H 1 1.88 0.02 . 2 . . . . . 69 LEU HB3 . 50124 1 688 . 1 . 1 59 59 LEU HG H 1 1.86 0.02 . 1 . . . . . 69 LEU HG . 50124 1 689 . 1 . 1 59 59 LEU HD11 H 1 0.63 0.02 . 2 . . . . . 69 LEU MD1 . 50124 1 690 . 1 . 1 59 59 LEU HD12 H 1 0.63 0.02 . 2 . . . . . 69 LEU MD1 . 50124 1 691 . 1 . 1 59 59 LEU HD13 H 1 0.63 0.02 . 2 . . . . . 69 LEU MD1 . 50124 1 692 . 1 . 1 59 59 LEU HD21 H 1 0.8 0.02 . 2 . . . . . 69 LEU MD2 . 50124 1 693 . 1 . 1 59 59 LEU HD22 H 1 0.8 0.02 . 2 . . . . . 69 LEU MD2 . 50124 1 694 . 1 . 1 59 59 LEU HD23 H 1 0.8 0.02 . 2 . . . . . 69 LEU MD2 . 50124 1 695 . 1 . 1 59 59 LEU C C 13 177.94 0.05 . 1 . . . . . 69 LEU C . 50124 1 696 . 1 . 1 59 59 LEU CA C 13 55.71 0.05 . 1 . . . . . 69 LEU CA . 50124 1 697 . 1 . 1 59 59 LEU CB C 13 43.21 0.05 . 1 . . . . . 69 LEU CB . 50124 1 698 . 1 . 1 59 59 LEU CG C 13 26.49 0.05 . 1 . . . . . 69 LEU CG . 50124 1 699 . 1 . 1 59 59 LEU CD1 C 13 22.74 0.05 . 2 . . . . . 69 LEU CD1 . 50124 1 700 . 1 . 1 59 59 LEU CD2 C 13 25.86 0.05 . 2 . . . . . 69 LEU CD2 . 50124 1 701 . 1 . 1 59 59 LEU N N 15 116 0.1 . 1 . . . . . 69 LEU N . 50124 1 702 . 1 . 1 60 60 LYS H H 1 7.57 0.02 . 1 . . . . . 70 LYS H . 50124 1 703 . 1 . 1 60 60 LYS HA H 1 4.19 0.02 . 1 . . . . . 70 LYS HA . 50124 1 704 . 1 . 1 60 60 LYS HB2 H 1 1.96 0.02 . 2 . . . . . 70 LYS HB2 . 50124 1 705 . 1 . 1 60 60 LYS HB3 H 1 1.96 0.02 . 2 . . . . . 70 LYS HB3 . 50124 1 706 . 1 . 1 60 60 LYS HG2 H 1 1.79 0.02 . 2 . . . . . 70 LYS HG2 . 50124 1 707 . 1 . 1 60 60 LYS HG3 H 1 1.5 0.02 . 2 . . . . . 70 LYS HG3 . 50124 1 708 . 1 . 1 60 60 LYS HD2 H 1 1.73 0.02 . 2 . . . . . 70 LYS HD2 . 50124 1 709 . 1 . 1 60 60 LYS HD3 H 1 1.73 0.02 . 2 . . . . . 70 LYS HD3 . 50124 1 710 . 1 . 1 60 60 LYS HE2 H 1 2.77 0.02 . 2 . . . . . 70 LYS HE2 . 50124 1 711 . 1 . 1 60 60 LYS HE3 H 1 2.95 0.02 . 2 . . . . . 70 LYS HE3 . 50124 1 712 . 1 . 1 60 60 LYS CA C 13 61.49 0.05 . 1 . . . . . 70 LYS CA . 50124 1 713 . 1 . 1 60 60 LYS CB C 13 31.49 0.05 . 1 . . . . . 70 LYS CB . 50124 1 714 . 1 . 1 60 60 LYS CG C 13 26.65 0.05 . 1 . . . . . 70 LYS CG . 50124 1 715 . 1 . 1 60 60 LYS CD C 13 29.77 0.05 . 1 . . . . . 70 LYS CD . 50124 1 716 . 1 . 1 60 60 LYS CE C 13 41.96 0.05 . 1 . . . . . 70 LYS CE . 50124 1 717 . 1 . 1 60 60 LYS N N 15 119 0.1 . 1 . . . . . 70 LYS N . 50124 1 718 . 1 . 1 61 61 PRO HA H 1 4.17 0.02 . 1 . . . . . 71 PRO HA . 50124 1 719 . 1 . 1 61 61 PRO HB2 H 1 2.07 0.02 . 2 . . . . . 71 PRO HB2 . 50124 1 720 . 1 . 1 61 61 PRO HB3 H 1 0.84 0.02 . 2 . . . . . 71 PRO HB3 . 50124 1 721 . 1 . 1 61 61 PRO HG2 H 1 1.77 0.02 . 2 . . . . . 71 PRO HG2 . 50124 1 722 . 1 . 1 61 61 PRO HG3 H 1 1.75 0.02 . 2 . . . . . 71 PRO HG3 . 50124 1 723 . 1 . 1 61 61 PRO HD2 H 1 3.66 0.02 . 2 . . . . . 71 PRO HD2 . 50124 1 724 . 1 . 1 61 61 PRO HD3 H 1 3.4 0.02 . 2 . . . . . 71 PRO HD3 . 50124 1 725 . 1 . 1 61 61 PRO C C 13 176.44 0.05 . 1 . . . . . 71 PRO C . 50124 1 726 . 1 . 1 61 61 PRO CA C 13 65.08 0.05 . 1 . . . . . 71 PRO CA . 50124 1 727 . 1 . 1 61 61 PRO CB C 13 31.33 0.05 . 1 . . . . . 71 PRO CB . 50124 1 728 . 1 . 1 61 61 PRO CG C 13 27.74 0.05 . 1 . . . . . 71 PRO CG . 50124 1 729 . 1 . 1 61 61 PRO CD C 13 50.87 0.05 . 1 . . . . . 71 PRO CD . 50124 1 730 . 1 . 1 61 61 PRO N N 15 131.2 0.1 . 1 . . . . . 71 PRO N . 50124 1 731 . 1 . 1 62 62 TYR H H 1 7.39 0.02 . 1 . . . . . 72 TYR H . 50124 1 732 . 1 . 1 62 62 TYR HA H 1 4.05 0.02 . 1 . . . . . 72 TYR HA . 50124 1 733 . 1 . 1 62 62 TYR HB2 H 1 2.16 0.02 . 2 . . . . . 72 TYR HB2 . 50124 1 734 . 1 . 1 62 62 TYR HB3 H 1 2.21 0.02 . 2 . . . . . 72 TYR HB3 . 50124 1 735 . 1 . 1 62 62 TYR HD1 H 1 6.94 0.02 . 3 . . . . . 72 TYR HD1 . 50124 1 736 . 1 . 1 62 62 TYR HD2 H 1 6.94 0.02 . 3 . . . . . 72 TYR HD2 . 50124 1 737 . 1 . 1 62 62 TYR HE1 H 1 6.85 0.02 . 3 . . . . . 72 TYR HE1 . 50124 1 738 . 1 . 1 62 62 TYR HE2 H 1 6.85 0.02 . 3 . . . . . 72 TYR HE2 . 50124 1 739 . 1 . 1 62 62 TYR C C 13 175.59 0.05 . 1 . . . . . 72 TYR C . 50124 1 740 . 1 . 1 62 62 TYR CA C 13 59.3 0.05 . 1 . . . . . 72 TYR CA . 50124 1 741 . 1 . 1 62 62 TYR CB C 13 39.46 0.05 . 1 . . . . . 72 TYR CB . 50124 1 742 . 1 . 1 62 62 TYR CD1 C 13 133.25 0.05 . 3 . . . . . 72 TYR CD1 . 50124 1 743 . 1 . 1 62 62 TYR CD2 C 13 133.25 0.05 . 3 . . . . . 72 TYR CD2 . 50124 1 744 . 1 . 1 62 62 TYR CE1 C 13 118.19 0.05 . 3 . . . . . 72 TYR CE1 . 50124 1 745 . 1 . 1 62 62 TYR CE2 C 13 118.19 0.05 . 3 . . . . . 72 TYR CE2 . 50124 1 746 . 1 . 1 62 62 TYR N N 15 109.9 0.1 . 1 . . . . . 72 TYR N . 50124 1 747 . 1 . 1 63 63 PHE H H 1 7.11 0.02 . 1 . . . . . 73 PHE H . 50124 1 748 . 1 . 1 63 63 PHE HA H 1 5.06 0.02 . 1 . . . . . 73 PHE HA . 50124 1 749 . 1 . 1 63 63 PHE HB2 H 1 3.05 0.02 . 2 . . . . . 73 PHE HB2 . 50124 1 750 . 1 . 1 63 63 PHE HB3 H 1 2.26 0.02 . 2 . . . . . 73 PHE HB3 . 50124 1 751 . 1 . 1 63 63 PHE HD1 H 1 7.24 0.02 . 3 . . . . . 73 PHE HD1 . 50124 1 752 . 1 . 1 63 63 PHE HD2 H 1 7.24 0.02 . 3 . . . . . 73 PHE HD2 . 50124 1 753 . 1 . 1 63 63 PHE HE1 H 1 6.76 0.02 . 3 . . . . . 73 PHE HE1 . 50124 1 754 . 1 . 1 63 63 PHE HE2 H 1 6.76 0.02 . 3 . . . . . 73 PHE HE2 . 50124 1 755 . 1 . 1 63 63 PHE HZ H 1 6.45 0.02 . 1 . . . . . 73 PHE HZ . 50124 1 756 . 1 . 1 63 63 PHE C C 13 175.24 0.05 . 1 . . . . . 73 PHE C . 50124 1 757 . 1 . 1 63 63 PHE CA C 13 57.58 0.05 . 1 . . . . . 73 PHE CA . 50124 1 758 . 1 . 1 63 63 PHE CB C 13 42.27 0.05 . 1 . . . . . 73 PHE CB . 50124 1 759 . 1 . 1 63 63 PHE CD1 C 13 132.67 0.05 . 3 . . . . . 73 PHE CD1 . 50124 1 760 . 1 . 1 63 63 PHE CD2 C 13 132.67 0.05 . 3 . . . . . 73 PHE CD2 . 50124 1 761 . 1 . 1 63 63 PHE CE1 C 13 130.51 0.05 . 3 . . . . . 73 PHE CE1 . 50124 1 762 . 1 . 1 63 63 PHE CE2 C 13 130.51 0.05 . 3 . . . . . 73 PHE CE2 . 50124 1 763 . 1 . 1 63 63 PHE CZ C 13 129.33 0.05 . 1 . . . . . 73 PHE CZ . 50124 1 764 . 1 . 1 63 63 PHE N N 15 113.2 0.1 . 1 . . . . . 73 PHE N . 50124 1 765 . 1 . 1 64 64 LYS H H 1 9.03 0.02 . 1 . . . . . 74 LYS H . 50124 1 766 . 1 . 1 64 64 LYS HA H 1 4.23 0.02 . 1 . . . . . 74 LYS HA . 50124 1 767 . 1 . 1 64 64 LYS HB2 H 1 1.97 0.02 . 2 . . . . . 74 LYS HB2 . 50124 1 768 . 1 . 1 64 64 LYS HB3 H 1 1.71 0.02 . 2 . . . . . 74 LYS HB3 . 50124 1 769 . 1 . 1 64 64 LYS HG2 H 1 1.42 0.02 . 2 . . . . . 74 LYS HG2 . 50124 1 770 . 1 . 1 64 64 LYS HG3 H 1 1.45 0.02 . 2 . . . . . 74 LYS HG3 . 50124 1 771 . 1 . 1 64 64 LYS HD2 H 1 1.76 0.02 . 2 . . . . . 74 LYS HD2 . 50124 1 772 . 1 . 1 64 64 LYS HD3 H 1 1.73 0.02 . 2 . . . . . 74 LYS HD3 . 50124 1 773 . 1 . 1 64 64 LYS HE2 H 1 3.05 0.02 . 2 . . . . . 74 LYS HE2 . 50124 1 774 . 1 . 1 64 64 LYS HE3 H 1 3.05 0.02 . 2 . . . . . 74 LYS HE3 . 50124 1 775 . 1 . 1 64 64 LYS C C 13 177.49 0.05 . 1 . . . . . 74 LYS C . 50124 1 776 . 1 . 1 64 64 LYS CA C 13 58.83 0.05 . 1 . . . . . 74 LYS CA . 50124 1 777 . 1 . 1 64 64 LYS CB C 13 33.36 0.05 . 1 . . . . . 74 LYS CB . 50124 1 778 . 1 . 1 64 64 LYS CG C 13 26.02 0.05 . 1 . . . . . 74 LYS CG . 50124 1 779 . 1 . 1 64 64 LYS CD C 13 29.46 0.05 . 1 . . . . . 74 LYS CD . 50124 1 780 . 1 . 1 64 64 LYS CE C 13 42.12 0.05 . 1 . . . . . 74 LYS CE . 50124 1 781 . 1 . 1 64 64 LYS N N 15 122.8 0.1 . 1 . . . . . 74 LYS N . 50124 1 782 . 1 . 1 65 65 TYR H H 1 7.35 0.02 . 1 . . . . . 75 TYR H . 50124 1 783 . 1 . 1 65 65 TYR HA H 1 4.71 0.02 . 1 . . . . . 75 TYR HA . 50124 1 784 . 1 . 1 65 65 TYR HB2 H 1 3.07 0.02 . 2 . . . . . 75 TYR HB2 . 50124 1 785 . 1 . 1 65 65 TYR HB3 H 1 3.18 0.02 . 2 . . . . . 75 TYR HB3 . 50124 1 786 . 1 . 1 65 65 TYR HD1 H 1 6.91 0.02 . 3 . . . . . 75 TYR HD1 . 50124 1 787 . 1 . 1 65 65 TYR HD2 H 1 6.91 0.02 . 3 . . . . . 75 TYR HD2 . 50124 1 788 . 1 . 1 65 65 TYR HE1 H 1 6.71 0.02 . 3 . . . . . 75 TYR HE1 . 50124 1 789 . 1 . 1 65 65 TYR HE2 H 1 6.71 0.02 . 3 . . . . . 75 TYR HE2 . 50124 1 790 . 1 . 1 65 65 TYR C C 13 172.52 0.05 . 1 . . . . . 75 TYR C . 50124 1 791 . 1 . 1 65 65 TYR CA C 13 56.8 0.05 . 1 . . . . . 75 TYR CA . 50124 1 792 . 1 . 1 65 65 TYR CB C 13 40.71 0.05 . 1 . . . . . 75 TYR CB . 50124 1 793 . 1 . 1 65 65 TYR CD1 C 13 133.43 0.05 . 3 . . . . . 75 TYR CD1 . 50124 1 794 . 1 . 1 65 65 TYR CD2 C 13 133.43 0.05 . 3 . . . . . 75 TYR CD2 . 50124 1 795 . 1 . 1 65 65 TYR CE1 C 13 117.8 0.05 . 3 . . . . . 75 TYR CE1 . 50124 1 796 . 1 . 1 65 65 TYR CE2 C 13 117.8 0.05 . 3 . . . . . 75 TYR CE2 . 50124 1 797 . 1 . 1 65 65 TYR N N 15 110.7 0.1 . 1 . . . . . 75 TYR N . 50124 1 798 . 1 . 1 66 66 LEU H H 1 8.69 0.02 . 1 . . . . . 76 LEU H . 50124 1 799 . 1 . 1 66 66 LEU HA H 1 4.74 0.02 . 1 . . . . . 76 LEU HA . 50124 1 800 . 1 . 1 66 66 LEU HB2 H 1 1.3 0.02 . 2 . . . . . 76 LEU HB2 . 50124 1 801 . 1 . 1 66 66 LEU HB3 H 1 0.69 0.02 . 2 . . . . . 76 LEU HB3 . 50124 1 802 . 1 . 1 66 66 LEU HG H 1 1.08 0.02 . 1 . . . . . 76 LEU HG . 50124 1 803 . 1 . 1 66 66 LEU HD11 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD1 . 50124 1 804 . 1 . 1 66 66 LEU HD12 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD1 . 50124 1 805 . 1 . 1 66 66 LEU HD13 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD1 . 50124 1 806 . 1 . 1 66 66 LEU HD21 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD2 . 50124 1 807 . 1 . 1 66 66 LEU HD22 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD2 . 50124 1 808 . 1 . 1 66 66 LEU HD23 H 1 0.27 0.02 . 2 . . . . . 76 LEU MD2 . 50124 1 809 . 1 . 1 66 66 LEU C C 13 173.2 0.05 . 1 . . . . . 76 LEU C . 50124 1 810 . 1 . 1 66 66 LEU CA C 13 55.71 0.05 . 1 . . . . . 76 LEU CA . 50124 1 811 . 1 . 1 66 66 LEU CB C 13 43.37 0.05 . 1 . . . . . 76 LEU CB . 50124 1 812 . 1 . 1 66 66 LEU CG C 13 27.74 0.05 . 1 . . . . . 76 LEU CG . 50124 1 813 . 1 . 1 66 66 LEU CD1 C 13 24.3 0.05 . 2 . . . . . 76 LEU CD1 . 50124 1 814 . 1 . 1 66 66 LEU CD2 C 13 26.02 0.05 . 2 . . . . . 76 LEU CD2 . 50124 1 815 . 1 . 1 66 66 LEU N N 15 123.6 0.1 . 1 . . . . . 76 LEU N . 50124 1 816 . 1 . 1 67 67 GLN H H 1 9.51 0.02 . 1 . . . . . 77 GLN H . 50124 1 817 . 1 . 1 67 67 GLN HA H 1 5.24 0.02 . 1 . . . . . 77 GLN HA . 50124 1 818 . 1 . 1 67 67 GLN HB2 H 1 2.19 0.02 . 2 . . . . . 77 GLN HB2 . 50124 1 819 . 1 . 1 67 67 GLN HB3 H 1 2.04 0.02 . 2 . . . . . 77 GLN HB3 . 50124 1 820 . 1 . 1 67 67 GLN HG2 H 1 2.35 0.02 . 2 . . . . . 77 GLN HG2 . 50124 1 821 . 1 . 1 67 67 GLN HG3 H 1 2.35 0.02 . 2 . . . . . 77 GLN HG3 . 50124 1 822 . 1 . 1 67 67 GLN HE21 H 1 7 0.02 . 1 . . . . . 77 GLN HE21 . 50124 1 823 . 1 . 1 67 67 GLN HE22 H 1 6.45 0.02 . 1 . . . . . 77 GLN HE22 . 50124 1 824 . 1 . 1 67 67 GLN C C 13 175.1 0.05 . 1 . . . . . 77 GLN C . 50124 1 825 . 1 . 1 67 67 GLN CA C 13 53.68 0.05 . 1 . . . . . 77 GLN CA . 50124 1 826 . 1 . 1 67 67 GLN CB C 13 31.96 0.05 . 1 . . . . . 77 GLN CB . 50124 1 827 . 1 . 1 67 67 GLN CG C 13 34.3 0.05 . 1 . . . . . 77 GLN CG . 50124 1 828 . 1 . 1 67 67 GLN N N 15 124.4 0.1 . 1 . . . . . 77 GLN N . 50124 1 829 . 1 . 1 67 67 GLN NE2 N 15 109.1 0.1 . 1 . . . . . 77 GLN NE2 . 50124 1 830 . 1 . 1 68 68 ILE H H 1 9.51 0.02 . 1 . . . . . 78 ILE H . 50124 1 831 . 1 . 1 68 68 ILE HA H 1 5.23 0.02 . 1 . . . . . 78 ILE HA . 50124 1 832 . 1 . 1 68 68 ILE HB H 1 1.86 0.02 . 1 . . . . . 78 ILE HB . 50124 1 833 . 1 . 1 68 68 ILE HG12 H 1 1.03 0.02 . 2 . . . . . 78 ILE HG12 . 50124 1 834 . 1 . 1 68 68 ILE HG13 H 1 1.5 0.02 . 2 . . . . . 78 ILE HG13 . 50124 1 835 . 1 . 1 68 68 ILE HG21 H 1 1 0.02 . 1 . . . . . 78 ILE MG . 50124 1 836 . 1 . 1 68 68 ILE HG22 H 1 1 0.02 . 1 . . . . . 78 ILE MG . 50124 1 837 . 1 . 1 68 68 ILE HG23 H 1 1 0.02 . 1 . . . . . 78 ILE MG . 50124 1 838 . 1 . 1 68 68 ILE HD11 H 1 0.81 0.02 . 1 . . . . . 78 ILE MD . 50124 1 839 . 1 . 1 68 68 ILE HD12 H 1 0.81 0.02 . 1 . . . . . 78 ILE MD . 50124 1 840 . 1 . 1 68 68 ILE HD13 H 1 0.81 0.02 . 1 . . . . . 78 ILE MD . 50124 1 841 . 1 . 1 68 68 ILE C C 13 174.56 0.05 . 1 . . . . . 78 ILE C . 50124 1 842 . 1 . 1 68 68 ILE CA C 13 59.3 0.05 . 1 . . . . . 78 ILE CA . 50124 1 843 . 1 . 1 68 68 ILE CB C 13 40.24 0.05 . 1 . . . . . 78 ILE CB . 50124 1 844 . 1 . 1 68 68 ILE CG1 C 13 27.9 0.05 . 1 . . . . . 78 ILE CG1 . 50124 1 845 . 1 . 1 68 68 ILE CG2 C 13 18.68 0.05 . 1 . . . . . 78 ILE CG2 . 50124 1 846 . 1 . 1 68 68 ILE CD1 C 13 14.15 0.05 . 1 . . . . . 78 ILE CD1 . 50124 1 847 . 1 . 1 68 68 ILE N N 15 122.5 0.1 . 1 . . . . . 78 ILE N . 50124 1 848 . 1 . 1 69 69 GLN H H 1 9.56 0.02 . 1 . . . . . 79 GLN H . 50124 1 849 . 1 . 1 69 69 GLN HA H 1 4.84 0.02 . 1 . . . . . 79 GLN HA . 50124 1 850 . 1 . 1 69 69 GLN HB2 H 1 2.27 0.02 . 2 . . . . . 79 GLN HB2 . 50124 1 851 . 1 . 1 69 69 GLN HB3 H 1 2.27 0.02 . 2 . . . . . 79 GLN HB3 . 50124 1 852 . 1 . 1 69 69 GLN HG2 H 1 2.19 0.02 . 2 . . . . . 79 GLN HG2 . 50124 1 853 . 1 . 1 69 69 GLN HG3 H 1 2.19 0.02 . 2 . . . . . 79 GLN HG3 . 50124 1 854 . 1 . 1 69 69 GLN HE21 H 1 7.12 0.02 . 1 . . . . . 79 GLN HE21 . 50124 1 855 . 1 . 1 69 69 GLN HE22 H 1 6.73 0.02 . 1 . . . . . 79 GLN HE22 . 50124 1 856 . 1 . 1 69 69 GLN C C 13 175.36 0.05 . 1 . . . . . 79 GLN C . 50124 1 857 . 1 . 1 69 69 GLN CA C 13 55.24 0.05 . 1 . . . . . 79 GLN CA . 50124 1 858 . 1 . 1 69 69 GLN CB C 13 32.27 0.05 . 1 . . . . . 79 GLN CB . 50124 1 859 . 1 . 1 69 69 GLN CG C 13 34.77 0.05 . 1 . . . . . 79 GLN CG . 50124 1 860 . 1 . 1 69 69 GLN N N 15 128.4 0.1 . 1 . . . . . 79 GLN N . 50124 1 861 . 1 . 1 69 69 GLN NE2 N 15 109.8 0.1 . 1 . . . . . 79 GLN NE2 . 50124 1 862 . 1 . 1 70 70 ILE H H 1 9.03 0.02 . 1 . . . . . 80 ILE H . 50124 1 863 . 1 . 1 70 70 ILE HA H 1 4.43 0.02 . 1 . . . . . 80 ILE HA . 50124 1 864 . 1 . 1 70 70 ILE HB H 1 1.61 0.02 . 1 . . . . . 80 ILE HB . 50124 1 865 . 1 . 1 70 70 ILE HG12 H 1 0.41 0.02 . 2 . . . . . 80 ILE HG12 . 50124 1 866 . 1 . 1 70 70 ILE HG13 H 1 1.46 0.02 . 2 . . . . . 80 ILE HG13 . 50124 1 867 . 1 . 1 70 70 ILE HG21 H 1 0.34 0.02 . 1 . . . . . 80 ILE MG . 50124 1 868 . 1 . 1 70 70 ILE HG22 H 1 0.34 0.02 . 1 . . . . . 80 ILE MG . 50124 1 869 . 1 . 1 70 70 ILE HG23 H 1 0.34 0.02 . 1 . . . . . 80 ILE MG . 50124 1 870 . 1 . 1 70 70 ILE HD11 H 1 0.59 0.02 . 1 . . . . . 80 ILE MD . 50124 1 871 . 1 . 1 70 70 ILE HD12 H 1 0.59 0.02 . 1 . . . . . 80 ILE MD . 50124 1 872 . 1 . 1 70 70 ILE HD13 H 1 0.59 0.02 . 1 . . . . . 80 ILE MD . 50124 1 873 . 1 . 1 70 70 ILE C C 13 175.13 0.05 . 1 . . . . . 80 ILE C . 50124 1 874 . 1 . 1 70 70 ILE CA C 13 60.87 0.05 . 1 . . . . . 80 ILE CA . 50124 1 875 . 1 . 1 70 70 ILE CB C 13 38.99 0.05 . 1 . . . . . 80 ILE CB . 50124 1 876 . 1 . 1 70 70 ILE CG1 C 13 26.49 0.05 . 1 . . . . . 80 ILE CG1 . 50124 1 877 . 1 . 1 70 70 ILE CG2 C 13 17.74 0.05 . 1 . . . . . 80 ILE CG2 . 50124 1 878 . 1 . 1 70 70 ILE CD1 C 13 14.48 0.05 . 1 . . . . . 80 ILE CD1 . 50124 1 879 . 1 . 1 70 70 ILE N N 15 127.6 0.1 . 1 . . . . . 80 ILE N . 50124 1 880 . 1 . 1 71 71 THR H H 1 9.27 0.02 . 1 . . . . . 81 THR H . 50124 1 881 . 1 . 1 71 71 THR HA H 1 4.78 0.02 . 1 . . . . . 81 THR HA . 50124 1 882 . 1 . 1 71 71 THR HB H 1 3.87 0.02 . 1 . . . . . 81 THR HB . 50124 1 883 . 1 . 1 71 71 THR HG21 H 1 0.94 0.02 . 1 . . . . . 81 THR MG . 50124 1 884 . 1 . 1 71 71 THR HG22 H 1 0.94 0.02 . 1 . . . . . 81 THR MG . 50124 1 885 . 1 . 1 71 71 THR HG23 H 1 0.94 0.02 . 1 . . . . . 81 THR MG . 50124 1 886 . 1 . 1 71 71 THR C C 13 175.22 0.05 . 1 . . . . . 81 THR C . 50124 1 887 . 1 . 1 71 71 THR CA C 13 61.49 0.05 . 1 . . . . . 81 THR CA . 50124 1 888 . 1 . 1 71 71 THR CB C 13 71.02 0.05 . 1 . . . . . 81 THR CB . 50124 1 889 . 1 . 1 71 71 THR CG2 C 13 21.33 0.05 . 1 . . . . . 81 THR CG2 . 50124 1 890 . 1 . 1 71 71 THR N N 15 125.6 0.1 . 1 . . . . . 81 THR N . 50124 1 891 . 1 . 1 72 72 SER H H 1 8.91 0.02 . 1 . . . . . 82 SER H . 50124 1 892 . 1 . 1 72 72 SER HA H 1 5.61 0.02 . 1 . . . . . 82 SER HA . 50124 1 893 . 1 . 1 72 72 SER HB2 H 1 4.13 0.02 . 2 . . . . . 82 SER HB2 . 50124 1 894 . 1 . 1 72 72 SER HB3 H 1 3.5 0.02 . 2 . . . . . 82 SER HB3 . 50124 1 895 . 1 . 1 72 72 SER C C 13 174.45 0.05 . 1 . . . . . 82 SER C . 50124 1 896 . 1 . 1 72 72 SER CA C 13 54.93 0.05 . 1 . . . . . 82 SER CA . 50124 1 897 . 1 . 1 72 72 SER CB C 13 65.08 0.05 . 1 . . . . . 82 SER CB . 50124 1 898 . 1 . 1 72 72 SER N N 15 125.7 0.1 . 1 . . . . . 82 SER N . 50124 1 899 . 1 . 1 73 73 GLY H H 1 8.83 0.02 . 1 . . . . . 83 GLY H . 50124 1 900 . 1 . 1 73 73 GLY HA2 H 1 4.26 0.02 . 2 . . . . . 83 GLY HA2 . 50124 1 901 . 1 . 1 73 73 GLY HA3 H 1 4.26 0.02 . 2 . . . . . 83 GLY HA3 . 50124 1 902 . 1 . 1 73 73 GLY C C 13 170.27 0.05 . 1 . . . . . 83 GLY C . 50124 1 903 . 1 . 1 73 73 GLY CA C 13 47.9 0.05 . 1 . . . . . 83 GLY CA . 50124 1 904 . 1 . 1 73 73 GLY N N 15 115.3 0.1 . 1 . . . . . 83 GLY N . 50124 1 905 . 1 . 1 74 74 TYR H H 1 7.68 0.02 . 1 . . . . . 84 TYR H . 50124 1 906 . 1 . 1 74 74 TYR HA H 1 4.75 0.02 . 1 . . . . . 84 TYR HA . 50124 1 907 . 1 . 1 74 74 TYR HB2 H 1 2.92 0.02 . 2 . . . . . 84 TYR HB2 . 50124 1 908 . 1 . 1 74 74 TYR HB3 H 1 2.74 0.02 . 2 . . . . . 84 TYR HB3 . 50124 1 909 . 1 . 1 74 74 TYR HD1 H 1 6.87 0.02 . 3 . . . . . 84 TYR HD1 . 50124 1 910 . 1 . 1 74 74 TYR HD2 H 1 6.87 0.02 . 3 . . . . . 84 TYR HD2 . 50124 1 911 . 1 . 1 74 74 TYR HE1 H 1 6.57 0.02 . 3 . . . . . 84 TYR HE1 . 50124 1 912 . 1 . 1 74 74 TYR HE2 H 1 6.57 0.02 . 3 . . . . . 84 TYR HE2 . 50124 1 913 . 1 . 1 74 74 TYR C C 13 173.41 0.05 . 1 . . . . . 84 TYR C . 50124 1 914 . 1 . 1 74 74 TYR CA C 13 55.08 0.05 . 1 . . . . . 84 TYR CA . 50124 1 915 . 1 . 1 74 74 TYR CB C 13 41.18 0.05 . 1 . . . . . 84 TYR CB . 50124 1 916 . 1 . 1 74 74 TYR CD1 C 13 133.19 0.05 . 3 . . . . . 84 TYR CD1 . 50124 1 917 . 1 . 1 74 74 TYR CD2 C 13 133.19 0.05 . 3 . . . . . 84 TYR CD2 . 50124 1 918 . 1 . 1 74 74 TYR CE1 C 13 117.55 0.05 . 3 . . . . . 84 TYR CE1 . 50124 1 919 . 1 . 1 74 74 TYR CE2 C 13 117.55 0.05 . 3 . . . . . 84 TYR CE2 . 50124 1 920 . 1 . 1 74 74 TYR N N 15 112.5 0.1 . 1 . . . . . 84 TYR N . 50124 1 921 . 1 . 1 75 75 GLU H H 1 7.78 0.02 . 1 . . . . . 85 GLU H . 50124 1 922 . 1 . 1 75 75 GLU HA H 1 4.62 0.02 . 1 . . . . . 85 GLU HA . 50124 1 923 . 1 . 1 75 75 GLU HB2 H 1 0.59 0.02 . 2 . . . . . 85 GLU HB2 . 50124 1 924 . 1 . 1 75 75 GLU HB3 H 1 1.19 0.02 . 2 . . . . . 85 GLU HB3 . 50124 1 925 . 1 . 1 75 75 GLU HG2 H 1 1.88 0.02 . 2 . . . . . 85 GLU HG2 . 50124 1 926 . 1 . 1 75 75 GLU HG3 H 1 2.04 0.02 . 2 . . . . . 85 GLU HG3 . 50124 1 927 . 1 . 1 75 75 GLU C C 13 173.48 0.05 . 1 . . . . . 85 GLU C . 50124 1 928 . 1 . 1 75 75 GLU CA C 13 53.37 0.05 . 1 . . . . . 85 GLU CA . 50124 1 929 . 1 . 1 75 75 GLU CB C 13 32.74 0.05 . 1 . . . . . 85 GLU CB . 50124 1 930 . 1 . 1 75 75 GLU CG C 13 38.05 0.05 . 1 . . . . . 85 GLU CG . 50124 1 931 . 1 . 1 75 75 GLU N N 15 118.8 0.1 . 1 . . . . . 85 GLU N . 50124 1 932 . 1 . 1 76 76 THR H H 1 7.93 0.02 . 1 . . . . . 86 THR H . 50124 1 933 . 1 . 1 76 76 THR HA H 1 4.4 0.02 . 1 . . . . . 86 THR HA . 50124 1 934 . 1 . 1 76 76 THR HB H 1 4.05 0.02 . 1 . . . . . 86 THR HB . 50124 1 935 . 1 . 1 76 76 THR HG1 H 1 5.41 0.02 . 1 . . . . . 86 THR HG1 . 50124 1 936 . 1 . 1 76 76 THR HG21 H 1 1.1 0.02 . 1 . . . . . 86 THR MG . 50124 1 937 . 1 . 1 76 76 THR HG22 H 1 1.1 0.02 . 1 . . . . . 86 THR MG . 50124 1 938 . 1 . 1 76 76 THR HG23 H 1 1.1 0.02 . 1 . . . . . 86 THR MG . 50124 1 939 . 1 . 1 76 76 THR C C 13 172.29 0.05 . 1 . . . . . 86 THR C . 50124 1 940 . 1 . 1 76 76 THR CA C 13 58.99 0.05 . 1 . . . . . 86 THR CA . 50124 1 941 . 1 . 1 76 76 THR CB C 13 70.55 0.05 . 1 . . . . . 86 THR CB . 50124 1 942 . 1 . 1 76 76 THR CG2 C 13 18.68 0.05 . 1 . . . . . 86 THR CG2 . 50124 1 943 . 1 . 1 76 76 THR N N 15 111.6 0.1 . 1 . . . . . 86 THR N . 50124 1 944 . 1 . 1 77 77 ASN H H 1 8.01 0.02 . 1 . . . . . 87 ASN H . 50124 1 945 . 1 . 1 77 77 ASN HA H 1 5.09 0.02 . 1 . . . . . 87 ASN HA . 50124 1 946 . 1 . 1 77 77 ASN HB2 H 1 3.18 0.02 . 2 . . . . . 87 ASN HB2 . 50124 1 947 . 1 . 1 77 77 ASN HB3 H 1 3.53 0.02 . 2 . . . . . 87 ASN HB3 . 50124 1 948 . 1 . 1 77 77 ASN HD21 H 1 7.65 0.02 . 2 . . . . . 87 ASN HD21 . 50124 1 949 . 1 . 1 77 77 ASN HD22 H 1 7.44 0.02 . 2 . . . . . 87 ASN HD22 . 50124 1 950 . 1 . 1 77 77 ASN C C 13 176.23 0.05 . 1 . . . . . 87 ASN C . 50124 1 951 . 1 . 1 77 77 ASN CA C 13 51.65 0.05 . 1 . . . . . 87 ASN CA . 50124 1 952 . 1 . 1 77 77 ASN CB C 13 36.8 0.05 . 1 . . . . . 87 ASN CB . 50124 1 953 . 1 . 1 77 77 ASN N N 15 120.7 0.1 . 1 . . . . . 87 ASN N . 50124 1 954 . 1 . 1 77 77 ASN ND2 N 15 109.8 0.1 . 1 . . . . . 87 ASN ND2 . 50124 1 955 . 1 . 1 78 78 SER H H 1 8.76 0.02 . 1 . . . . . 88 SER H . 50124 1 956 . 1 . 1 78 78 SER HA H 1 4.76 0.02 . 1 . . . . . 88 SER HA . 50124 1 957 . 1 . 1 78 78 SER HB2 H 1 4.13 0.02 . 2 . . . . . 88 SER HB2 . 50124 1 958 . 1 . 1 78 78 SER HB3 H 1 4.01 0.02 . 2 . . . . . 88 SER HB3 . 50124 1 959 . 1 . 1 78 78 SER CA C 13 57.12 0.05 . 1 . . . . . 88 SER CA . 50124 1 960 . 1 . 1 78 78 SER CB C 13 63.37 0.05 . 1 . . . . . 88 SER CB . 50124 1 961 . 1 . 1 78 78 SER N N 15 115.5 0.1 . 1 . . . . . 88 SER N . 50124 1 962 . 1 . 1 79 79 THR HA H 1 4.13 0.02 . 1 . . . . . 89 THR HA . 50124 1 963 . 1 . 1 79 79 THR HB H 1 4.28 0.02 . 1 . . . . . 89 THR HB . 50124 1 964 . 1 . 1 79 79 THR HG21 H 1 1.31 0.02 . 1 . . . . . 89 THR MG . 50124 1 965 . 1 . 1 79 79 THR HG22 H 1 1.31 0.02 . 1 . . . . . 89 THR MG . 50124 1 966 . 1 . 1 79 79 THR HG23 H 1 1.31 0.02 . 1 . . . . . 89 THR MG . 50124 1 967 . 1 . 1 79 79 THR C C 13 175.73 0.05 . 1 . . . . . 89 THR C . 50124 1 968 . 1 . 1 79 79 THR CA C 13 63.37 0.05 . 1 . . . . . 89 THR CA . 50124 1 969 . 1 . 1 79 79 THR CB C 13 68.37 0.05 . 1 . . . . . 89 THR CB . 50124 1 970 . 1 . 1 79 79 THR CG2 C 13 21.96 0.05 . 1 . . . . . 89 THR CG2 . 50124 1 971 . 1 . 1 79 79 THR N N 15 121.9 0.1 . 1 . . . . . 89 THR N . 50124 1 972 . 1 . 1 80 80 ALA H H 1 7.32 0.02 . 1 . . . . . 90 ALA H . 50124 1 973 . 1 . 1 80 80 ALA HA H 1 4.14 0.02 . 1 . . . . . 90 ALA HA . 50124 1 974 . 1 . 1 80 80 ALA HB1 H 1 0.88 0.02 . 1 . . . . . 90 ALA MB . 50124 1 975 . 1 . 1 80 80 ALA HB2 H 1 0.88 0.02 . 1 . . . . . 90 ALA MB . 50124 1 976 . 1 . 1 80 80 ALA HB3 H 1 0.88 0.02 . 1 . . . . . 90 ALA MB . 50124 1 977 . 1 . 1 80 80 ALA C C 13 177.54 0.05 . 1 . . . . . 90 ALA C . 50124 1 978 . 1 . 1 80 80 ALA CA C 13 53.52 0.05 . 1 . . . . . 90 ALA CA . 50124 1 979 . 1 . 1 80 80 ALA CB C 13 18.68 0.05 . 1 . . . . . 90 ALA CB . 50124 1 980 . 1 . 1 80 80 ALA N N 15 123.4 0.1 . 1 . . . . . 90 ALA N . 50124 1 981 . 1 . 1 81 81 LEU H H 1 7.11 0.02 . 1 . . . . . 91 LEU H . 50124 1 982 . 1 . 1 81 81 LEU HA H 1 4.48 0.02 . 1 . . . . . 91 LEU HA . 50124 1 983 . 1 . 1 81 81 LEU HB2 H 1 1.74 0.02 . 2 . . . . . 91 LEU HB2 . 50124 1 984 . 1 . 1 81 81 LEU HB3 H 1 1.66 0.02 . 2 . . . . . 91 LEU HB3 . 50124 1 985 . 1 . 1 81 81 LEU HG H 1 2.21 0.02 . 1 . . . . . 91 LEU HG . 50124 1 986 . 1 . 1 81 81 LEU HD11 H 1 0.85 0.02 . 2 . . . . . 91 LEU MD1 . 50124 1 987 . 1 . 1 81 81 LEU HD12 H 1 0.85 0.02 . 2 . . . . . 91 LEU MD1 . 50124 1 988 . 1 . 1 81 81 LEU HD13 H 1 0.85 0.02 . 2 . . . . . 91 LEU MD1 . 50124 1 989 . 1 . 1 81 81 LEU HD21 H 1 1.13 0.02 . 2 . . . . . 91 LEU MD2 . 50124 1 990 . 1 . 1 81 81 LEU HD22 H 1 1.13 0.02 . 2 . . . . . 91 LEU MD2 . 50124 1 991 . 1 . 1 81 81 LEU HD23 H 1 1.13 0.02 . 2 . . . . . 91 LEU MD2 . 50124 1 992 . 1 . 1 81 81 LEU C C 13 176.88 0.05 . 1 . . . . . 91 LEU C . 50124 1 993 . 1 . 1 81 81 LEU CA C 13 56.02 0.05 . 1 . . . . . 91 LEU CA . 50124 1 994 . 1 . 1 81 81 LEU CB C 13 43.68 0.05 . 1 . . . . . 91 LEU CB . 50124 1 995 . 1 . 1 81 81 LEU CG C 13 26.65 0.05 . 1 . . . . . 91 LEU CG . 50124 1 996 . 1 . 1 81 81 LEU CD1 C 13 23.68 0.05 . 2 . . . . . 91 LEU CD1 . 50124 1 997 . 1 . 1 81 81 LEU CD2 C 13 25.86 0.05 . 2 . . . . . 91 LEU CD2 . 50124 1 998 . 1 . 1 81 81 LEU N N 15 118.8 0.1 . 1 . . . . . 91 LEU N . 50124 1 999 . 1 . 1 82 82 GLY H H 1 7.47 0.02 . 1 . . . . . 92 GLY H . 50124 1 1000 . 1 . 1 82 82 GLY HA2 H 1 4.05 0.02 . 2 . . . . . 92 GLY HA2 . 50124 1 1001 . 1 . 1 82 82 GLY HA3 H 1 3.79 0.02 . 2 . . . . . 92 GLY HA3 . 50124 1 1002 . 1 . 1 82 82 GLY C C 13 171.42 0.05 . 1 . . . . . 92 GLY C . 50124 1 1003 . 1 . 1 82 82 GLY CA C 13 44.3 0.05 . 1 . . . . . 92 GLY CA . 50124 1 1004 . 1 . 1 82 82 GLY N N 15 104.9 0.1 . 1 . . . . . 92 GLY N . 50124 1 1005 . 1 . 1 83 83 ASN H H 1 7.72 0.02 . 1 . . . . . 93 ASN H . 50124 1 1006 . 1 . 1 83 83 ASN HA H 1 4.58 0.02 . 1 . . . . . 93 ASN HA . 50124 1 1007 . 1 . 1 83 83 ASN HB2 H 1 2.64 0.02 . 2 . . . . . 93 ASN HB2 . 50124 1 1008 . 1 . 1 83 83 ASN HB3 H 1 2.76 0.02 . 2 . . . . . 93 ASN HB3 . 50124 1 1009 . 1 . 1 83 83 ASN HD21 H 1 7.24 0.02 . 1 . . . . . 93 ASN HD21 . 50124 1 1010 . 1 . 1 83 83 ASN HD22 H 1 6.77 0.02 . 1 . . . . . 93 ASN HD22 . 50124 1 1011 . 1 . 1 83 83 ASN C C 13 175.24 0.05 . 1 . . . . . 93 ASN C . 50124 1 1012 . 1 . 1 83 83 ASN CA C 13 52.74 0.05 . 1 . . . . . 93 ASN CA . 50124 1 1013 . 1 . 1 83 83 ASN CB C 13 39.3 0.05 . 1 . . . . . 93 ASN CB . 50124 1 1014 . 1 . 1 83 83 ASN N N 15 116 0.1 . 1 . . . . . 93 ASN N . 50124 1 1015 . 1 . 1 83 83 ASN ND2 N 15 110 0.1 . 1 . . . . . 93 ASN ND2 . 50124 1 1016 . 1 . 1 84 84 PHE H H 1 7.25 0.02 . 1 . . . . . 94 PHE H . 50124 1 1017 . 1 . 1 84 84 PHE HA H 1 4.55 0.02 . 1 . . . . . 94 PHE HA . 50124 1 1018 . 1 . 1 84 84 PHE HB2 H 1 2.89 0.02 . 2 . . . . . 94 PHE HB2 . 50124 1 1019 . 1 . 1 84 84 PHE HB3 H 1 2.89 0.02 . 2 . . . . . 94 PHE HB3 . 50124 1 1020 . 1 . 1 84 84 PHE HD1 H 1 6.91 0.02 . 3 . . . . . 94 PHE HD1 . 50124 1 1021 . 1 . 1 84 84 PHE HD2 H 1 6.91 0.02 . 3 . . . . . 94 PHE HD2 . 50124 1 1022 . 1 . 1 84 84 PHE HE1 H 1 7.29 0.02 . 3 . . . . . 94 PHE HE1 . 50124 1 1023 . 1 . 1 84 84 PHE HE2 H 1 7.29 0.02 . 3 . . . . . 94 PHE HE2 . 50124 1 1024 . 1 . 1 84 84 PHE HZ H 1 7.13 0.02 . 1 . . . . . 94 PHE HZ . 50124 1 1025 . 1 . 1 84 84 PHE C C 13 173.81 0.05 . 1 . . . . . 94 PHE C . 50124 1 1026 . 1 . 1 84 84 PHE CA C 13 57.74 0.05 . 1 . . . . . 94 PHE CA . 50124 1 1027 . 1 . 1 84 84 PHE CB C 13 43.21 0.05 . 1 . . . . . 94 PHE CB . 50124 1 1028 . 1 . 1 84 84 PHE CD1 C 13 132.64 0.05 . 3 . . . . . 94 PHE CD1 . 50124 1 1029 . 1 . 1 84 84 PHE CD2 C 13 132.64 0.05 . 3 . . . . . 94 PHE CD2 . 50124 1 1030 . 1 . 1 84 84 PHE CE1 C 13 131.41 0.05 . 3 . . . . . 94 PHE CE1 . 50124 1 1031 . 1 . 1 84 84 PHE CE2 C 13 131.41 0.05 . 3 . . . . . 94 PHE CE2 . 50124 1 1032 . 1 . 1 84 84 PHE N N 15 121.5 0.1 . 1 . . . . . 94 PHE N . 50124 1 1033 . 1 . 1 85 85 SER H H 1 6.75 0.02 . 1 . . . . . 95 SER H . 50124 1 1034 . 1 . 1 85 85 SER HA H 1 4.9 0.02 . 1 . . . . . 95 SER HA . 50124 1 1035 . 1 . 1 85 85 SER HB2 H 1 3.46 0.02 . 2 . . . . . 95 SER HB2 . 50124 1 1036 . 1 . 1 85 85 SER HB3 H 1 3.42 0.02 . 2 . . . . . 95 SER HB3 . 50124 1 1037 . 1 . 1 85 85 SER C C 13 173.37 0.05 . 1 . . . . . 95 SER C . 50124 1 1038 . 1 . 1 85 85 SER CA C 13 57.27 0.05 . 1 . . . . . 95 SER CA . 50124 1 1039 . 1 . 1 85 85 SER CB C 13 65.24 0.05 . 1 . . . . . 95 SER CB . 50124 1 1040 . 1 . 1 85 85 SER N N 15 118.9 0.1 . 1 . . . . . 95 SER N . 50124 1 1041 . 1 . 1 86 86 GLU H H 1 9.06 0.02 . 1 . . . . . 96 GLU H . 50124 1 1042 . 1 . 1 86 86 GLU HA H 1 4.34 0.02 . 1 . . . . . 96 GLU HA . 50124 1 1043 . 1 . 1 86 86 GLU HB2 H 1 1.93 0.02 . 2 . . . . . 96 GLU HB2 . 50124 1 1044 . 1 . 1 86 86 GLU HB3 H 1 1.84 0.02 . 2 . . . . . 96 GLU HB3 . 50124 1 1045 . 1 . 1 86 86 GLU HG2 H 1 2.1 0.02 . 2 . . . . . 96 GLU HG2 . 50124 1 1046 . 1 . 1 86 86 GLU HG3 H 1 2.2 0.02 . 2 . . . . . 96 GLU HG3 . 50124 1 1047 . 1 . 1 86 86 GLU C C 13 175.57 0.05 . 1 . . . . . 96 GLU C . 50124 1 1048 . 1 . 1 86 86 GLU CA C 13 56.18 0.05 . 1 . . . . . 96 GLU CA . 50124 1 1049 . 1 . 1 86 86 GLU CB C 13 34.61 0.05 . 1 . . . . . 96 GLU CB . 50124 1 1050 . 1 . 1 86 86 GLU CG C 13 36.33 0.05 . 1 . . . . . 96 GLU CG . 50124 1 1051 . 1 . 1 86 86 GLU N N 15 124.6 0.1 . 1 . . . . . 96 GLU N . 50124 1 1052 . 1 . 1 87 87 THR H H 1 9.04 0.02 . 1 . . . . . 97 THR H . 50124 1 1053 . 1 . 1 87 87 THR HA H 1 4.18 0.02 . 1 . . . . . 97 THR HA . 50124 1 1054 . 1 . 1 87 87 THR HB H 1 4 0.02 . 1 . . . . . 97 THR HB . 50124 1 1055 . 1 . 1 87 87 THR HG21 H 1 1.1 0.02 . 1 . . . . . 97 THR MG . 50124 1 1056 . 1 . 1 87 87 THR HG22 H 1 1.1 0.02 . 1 . . . . . 97 THR MG . 50124 1 1057 . 1 . 1 87 87 THR HG23 H 1 1.1 0.02 . 1 . . . . . 97 THR MG . 50124 1 1058 . 1 . 1 87 87 THR C C 13 174.14 0.05 . 1 . . . . . 97 THR C . 50124 1 1059 . 1 . 1 87 87 THR CA C 13 64.93 0.05 . 1 . . . . . 97 THR CA . 50124 1 1060 . 1 . 1 87 87 THR CB C 13 68.37 0.05 . 1 . . . . . 97 THR CB . 50124 1 1061 . 1 . 1 87 87 THR CG2 C 13 22.11 0.05 . 1 . . . . . 97 THR CG2 . 50124 1 1062 . 1 . 1 87 87 THR N N 15 126.5 0.1 . 1 . . . . . 97 THR N . 50124 1 1063 . 1 . 1 88 88 LYS H H 1 9.11 0.02 . 1 . . . . . 98 LYS H . 50124 1 1064 . 1 . 1 88 88 LYS HA H 1 4.66 0.02 . 1 . . . . . 98 LYS HA . 50124 1 1065 . 1 . 1 88 88 LYS HB2 H 1 1.91 0.02 . 2 . . . . . 98 LYS HB2 . 50124 1 1066 . 1 . 1 88 88 LYS HB3 H 1 1.61 0.02 . 2 . . . . . 98 LYS HB3 . 50124 1 1067 . 1 . 1 88 88 LYS HG2 H 1 1.75 0.02 . 2 . . . . . 98 LYS HG2 . 50124 1 1068 . 1 . 1 88 88 LYS HG3 H 1 1.1 0.02 . 2 . . . . . 98 LYS HG3 . 50124 1 1069 . 1 . 1 88 88 LYS HD2 H 1 1.94 0.02 . 2 . . . . . 98 LYS HD2 . 50124 1 1070 . 1 . 1 88 88 LYS HD3 H 1 1.76 0.02 . 2 . . . . . 98 LYS HD3 . 50124 1 1071 . 1 . 1 88 88 LYS HE2 H 1 3.09 0.02 . 2 . . . . . 98 LYS HE2 . 50124 1 1072 . 1 . 1 88 88 LYS HE3 H 1 2.98 0.02 . 2 . . . . . 98 LYS HE3 . 50124 1 1073 . 1 . 1 88 88 LYS C C 13 176.2 0.05 . 1 . . . . . 98 LYS C . 50124 1 1074 . 1 . 1 88 88 LYS CA C 13 54.93 0.05 . 1 . . . . . 98 LYS CA . 50124 1 1075 . 1 . 1 88 88 LYS CB C 13 35.24 0.05 . 1 . . . . . 98 LYS CB . 50124 1 1076 . 1 . 1 88 88 LYS CG C 13 25.08 0.05 . 1 . . . . . 98 LYS CG . 50124 1 1077 . 1 . 1 88 88 LYS CD C 13 28.36 0.05 . 1 . . . . . 98 LYS CD . 50124 1 1078 . 1 . 1 88 88 LYS CE C 13 43.52 0.05 . 1 . . . . . 98 LYS CE . 50124 1 1079 . 1 . 1 88 88 LYS N N 15 125 0.1 . 1 . . . . . 98 LYS N . 50124 1 1080 . 1 . 1 89 89 ALA H H 1 7.68 0.02 . 1 . . . . . 99 ALA H . 50124 1 1081 . 1 . 1 89 89 ALA HA H 1 4.61 0.02 . 1 . . . . . 99 ALA HA . 50124 1 1082 . 1 . 1 89 89 ALA HB1 H 1 1.24 0.02 . 1 . . . . . 99 ALA MB . 50124 1 1083 . 1 . 1 89 89 ALA HB2 H 1 1.24 0.02 . 1 . . . . . 99 ALA MB . 50124 1 1084 . 1 . 1 89 89 ALA HB3 H 1 1.24 0.02 . 1 . . . . . 99 ALA MB . 50124 1 1085 . 1 . 1 89 89 ALA C C 13 174.8 0.05 . 1 . . . . . 99 ALA C . 50124 1 1086 . 1 . 1 89 89 ALA CA C 13 51.8 0.05 . 1 . . . . . 99 ALA CA . 50124 1 1087 . 1 . 1 89 89 ALA CB C 13 23.05 0.05 . 1 . . . . . 99 ALA CB . 50124 1 1088 . 1 . 1 89 89 ALA N N 15 117 0.1 . 1 . . . . . 99 ALA N . 50124 1 1089 . 1 . 1 90 90 VAL H H 1 8.22 0.02 . 1 . . . . . 100 VAL H . 50124 1 1090 . 1 . 1 90 90 VAL HA H 1 4.95 0.02 . 1 . . . . . 100 VAL HA . 50124 1 1091 . 1 . 1 90 90 VAL HB H 1 1.91 0.02 . 1 . . . . . 100 VAL HB . 50124 1 1092 . 1 . 1 90 90 VAL HG11 H 1 0.86 0.02 . 2 . . . . . 100 VAL MG1 . 50124 1 1093 . 1 . 1 90 90 VAL HG12 H 1 0.86 0.02 . 2 . . . . . 100 VAL MG1 . 50124 1 1094 . 1 . 1 90 90 VAL HG13 H 1 0.86 0.02 . 2 . . . . . 100 VAL MG1 . 50124 1 1095 . 1 . 1 90 90 VAL HG21 H 1 0.9 0.02 . 2 . . . . . 100 VAL MG2 . 50124 1 1096 . 1 . 1 90 90 VAL HG22 H 1 0.9 0.02 . 2 . . . . . 100 VAL MG2 . 50124 1 1097 . 1 . 1 90 90 VAL HG23 H 1 0.9 0.02 . 2 . . . . . 100 VAL MG2 . 50124 1 1098 . 1 . 1 90 90 VAL C C 13 175.76 0.05 . 1 . . . . . 100 VAL C . 50124 1 1099 . 1 . 1 90 90 VAL CA C 13 61.65 0.05 . 1 . . . . . 100 VAL CA . 50124 1 1100 . 1 . 1 90 90 VAL CB C 13 34.3 0.05 . 1 . . . . . 100 VAL CB . 50124 1 1101 . 1 . 1 90 90 VAL CG1 C 13 21.18 0.05 . 2 . . . . . 100 VAL CG1 . 50124 1 1102 . 1 . 1 90 90 VAL CG2 C 13 21.33 0.05 . 2 . . . . . 100 VAL CG2 . 50124 1 1103 . 1 . 1 90 90 VAL N N 15 119 0.1 . 1 . . . . . 100 VAL N . 50124 1 1104 . 1 . 1 91 91 ILE H H 1 8.9 0.02 . 1 . . . . . 101 ILE H . 50124 1 1105 . 1 . 1 91 91 ILE HA H 1 4.77 0.02 . 1 . . . . . 101 ILE HA . 50124 1 1106 . 1 . 1 91 91 ILE HB H 1 2.16 0.02 . 1 . . . . . 101 ILE HB . 50124 1 1107 . 1 . 1 91 91 ILE HG12 H 1 1.22 0.02 . 2 . . . . . 101 ILE HG12 . 50124 1 1108 . 1 . 1 91 91 ILE HG13 H 1 1.48 0.02 . 2 . . . . . 101 ILE HG13 . 50124 1 1109 . 1 . 1 91 91 ILE HG21 H 1 0.91 0.02 . 1 . . . . . 101 ILE MG . 50124 1 1110 . 1 . 1 91 91 ILE HG22 H 1 0.91 0.02 . 1 . . . . . 101 ILE MG . 50124 1 1111 . 1 . 1 91 91 ILE HG23 H 1 0.91 0.02 . 1 . . . . . 101 ILE MG . 50124 1 1112 . 1 . 1 91 91 ILE HD11 H 1 0.86 0.02 . 1 . . . . . 101 ILE MD . 50124 1 1113 . 1 . 1 91 91 ILE HD12 H 1 0.86 0.02 . 1 . . . . . 101 ILE MD . 50124 1 1114 . 1 . 1 91 91 ILE HD13 H 1 0.86 0.02 . 1 . . . . . 101 ILE MD . 50124 1 1115 . 1 . 1 91 91 ILE C C 13 174.35 0.05 . 1 . . . . . 101 ILE C . 50124 1 1116 . 1 . 1 91 91 ILE CA C 13 59.3 0.05 . 1 . . . . . 101 ILE CA . 50124 1 1117 . 1 . 1 91 91 ILE CB C 13 40.87 0.05 . 1 . . . . . 101 ILE CB . 50124 1 1118 . 1 . 1 91 91 ILE CG1 C 13 27.43 0.05 . 1 . . . . . 101 ILE CG1 . 50124 1 1119 . 1 . 1 91 91 ILE CG2 C 13 19.15 0.05 . 1 . . . . . 101 ILE CG2 . 50124 1 1120 . 1 . 1 91 91 ILE CD1 C 13 14.46 0.05 . 1 . . . . . 101 ILE CD1 . 50124 1 1121 . 1 . 1 91 91 ILE N N 15 123.6 0.1 . 1 . . . . . 101 ILE N . 50124 1 1122 . 1 . 1 92 92 SER H H 1 8.31 0.02 . 1 . . . . . 102 SER H . 50124 1 1123 . 1 . 1 92 92 SER HA H 1 5.66 0.02 . 1 . . . . . 102 SER HA . 50124 1 1124 . 1 . 1 92 92 SER HB2 H 1 4.43 0.02 . 2 . . . . . 102 SER HB2 . 50124 1 1125 . 1 . 1 92 92 SER HB3 H 1 3.95 0.02 . 2 . . . . . 102 SER HB3 . 50124 1 1126 . 1 . 1 92 92 SER C C 13 174.7 0.05 . 1 . . . . . 102 SER C . 50124 1 1127 . 1 . 1 92 92 SER CA C 13 56.65 0.05 . 1 . . . . . 102 SER CA . 50124 1 1128 . 1 . 1 92 92 SER CB C 13 67.43 0.05 . 1 . . . . . 102 SER CB . 50124 1 1129 . 1 . 1 92 92 SER N N 15 118.3 0.1 . 1 . . . . . 102 SER N . 50124 1 1130 . 1 . 1 93 93 LEU H H 1 7.76 0.02 . 1 . . . . . 103 LEU H . 50124 1 1131 . 1 . 1 93 93 LEU HA H 1 3.98 0.02 . 1 . . . . . 103 LEU HA . 50124 1 1132 . 1 . 1 93 93 LEU HB2 H 1 1.4 0.02 . 2 . . . . . 103 LEU HB2 . 50124 1 1133 . 1 . 1 93 93 LEU HB3 H 1 2.03 0.02 . 2 . . . . . 103 LEU HB3 . 50124 1 1134 . 1 . 1 93 93 LEU HG H 1 1.94 0.02 . 1 . . . . . 103 LEU HG . 50124 1 1135 . 1 . 1 93 93 LEU HD11 H 1 0.93 0.02 . 2 . . . . . 103 LEU MD1 . 50124 1 1136 . 1 . 1 93 93 LEU HD12 H 1 0.93 0.02 . 2 . . . . . 103 LEU MD1 . 50124 1 1137 . 1 . 1 93 93 LEU HD13 H 1 0.93 0.02 . 2 . . . . . 103 LEU MD1 . 50124 1 1138 . 1 . 1 93 93 LEU HD21 H 1 0.84 0.02 . 2 . . . . . 103 LEU MD2 . 50124 1 1139 . 1 . 1 93 93 LEU HD22 H 1 0.84 0.02 . 2 . . . . . 103 LEU MD2 . 50124 1 1140 . 1 . 1 93 93 LEU HD23 H 1 0.84 0.02 . 2 . . . . . 103 LEU MD2 . 50124 1 1141 . 1 . 1 93 93 LEU C C 13 177.26 0.05 . 1 . . . . . 103 LEU C . 50124 1 1142 . 1 . 1 93 93 LEU CA C 13 57.58 0.05 . 1 . . . . . 103 LEU CA . 50124 1 1143 . 1 . 1 93 93 LEU CB C 13 40.71 0.05 . 1 . . . . . 103 LEU CB . 50124 1 1144 . 1 . 1 93 93 LEU CG C 13 26.65 0.05 . 1 . . . . . 103 LEU CG . 50124 1 1145 . 1 . 1 93 93 LEU CD1 C 13 26.18 0.05 . 2 . . . . . 103 LEU CD1 . 50124 1 1146 . 1 . 1 93 93 LEU CD2 C 13 22.9 0.05 . 2 . . . . . 103 LEU CD2 . 50124 1 1147 . 1 . 1 93 93 LEU N N 15 114.8 0.1 . 1 . . . . . 103 LEU N . 50124 1 1148 . 1 . 1 94 94 ASP H H 1 7.59 0.02 . 1 . . . . . 104 ASP H . 50124 1 1149 . 1 . 1 94 94 ASP HA H 1 4.63 0.02 . 1 . . . . . 104 ASP HA . 50124 1 1150 . 1 . 1 94 94 ASP HB2 H 1 2.49 0.02 . 2 . . . . . 104 ASP HB2 . 50124 1 1151 . 1 . 1 94 94 ASP HB3 H 1 2.74 0.02 . 2 . . . . . 104 ASP HB3 . 50124 1 1152 . 1 . 1 94 94 ASP C C 13 175.83 0.05 . 1 . . . . . 104 ASP C . 50124 1 1153 . 1 . 1 94 94 ASP CA C 13 54.77 0.05 . 1 . . . . . 104 ASP CA . 50124 1 1154 . 1 . 1 94 94 ASP CB C 13 41.65 0.05 . 1 . . . . . 104 ASP CB . 50124 1 1155 . 1 . 1 94 94 ASP N N 15 112.4 0.1 . 1 . . . . . 104 ASP N . 50124 1 1156 . 1 . 1 95 95 ASN H H 1 7.31 0.02 . 1 . . . . . 105 ASN H . 50124 1 1157 . 1 . 1 95 95 ASN HA H 1 5.16 0.02 . 1 . . . . . 105 ASN HA . 50124 1 1158 . 1 . 1 95 95 ASN HB2 H 1 3.03 0.02 . 2 . . . . . 105 ASN HB2 . 50124 1 1159 . 1 . 1 95 95 ASN HB3 H 1 2.65 0.02 . 2 . . . . . 105 ASN HB3 . 50124 1 1160 . 1 . 1 95 95 ASN HD21 H 1 7.46 0.02 . 1 . . . . . 105 ASN HD21 . 50124 1 1161 . 1 . 1 95 95 ASN HD22 H 1 6.8 0.02 . 1 . . . . . 105 ASN HD22 . 50124 1 1162 . 1 . 1 95 95 ASN CA C 13 51.33 0.05 . 1 . . . . . 105 ASN CA . 50124 1 1163 . 1 . 1 95 95 ASN CB C 13 39.15 0.05 . 1 . . . . . 105 ASN CB . 50124 1 1164 . 1 . 1 95 95 ASN N N 15 117.3 0.1 . 1 . . . . . 105 ASN N . 50124 1 1165 . 1 . 1 95 95 ASN ND2 N 15 112.4 0.1 . 1 . . . . . 105 ASN ND2 . 50124 1 1166 . 1 . 1 96 96 PRO HA H 1 4.98 0.02 . 1 . . . . . 106 PRO HA . 50124 1 1167 . 1 . 1 96 96 PRO HB2 H 1 2.17 0.02 . 2 . . . . . 106 PRO HB2 . 50124 1 1168 . 1 . 1 96 96 PRO HB3 H 1 2.43 0.02 . 2 . . . . . 106 PRO HB3 . 50124 1 1169 . 1 . 1 96 96 PRO HG2 H 1 1.99 0.02 . 2 . . . . . 106 PRO HG2 . 50124 1 1170 . 1 . 1 96 96 PRO HG3 H 1 1.9 0.02 . 2 . . . . . 106 PRO HG3 . 50124 1 1171 . 1 . 1 96 96 PRO HD2 H 1 3.38 0.02 . 2 . . . . . 106 PRO HD2 . 50124 1 1172 . 1 . 1 96 96 PRO HD3 H 1 3.76 0.02 . 2 . . . . . 106 PRO HD3 . 50124 1 1173 . 1 . 1 96 96 PRO C C 13 174.7 0.05 . 1 . . . . . 106 PRO C . 50124 1 1174 . 1 . 1 96 96 PRO CA C 13 65.08 0.05 . 1 . . . . . 106 PRO CA . 50124 1 1175 . 1 . 1 96 96 PRO CB C 13 32.74 0.05 . 1 . . . . . 106 PRO CB . 50124 1 1176 . 1 . 1 96 96 PRO CG C 13 26.49 0.05 . 1 . . . . . 106 PRO CG . 50124 1 1177 . 1 . 1 96 96 PRO CD C 13 50.24 0.05 . 1 . . . . . 106 PRO CD . 50124 1 1178 . 1 . 1 96 96 PRO N N 15 134.4 0.1 . 1 . . . . . 106 PRO N . 50124 1 1179 . 1 . 1 97 97 SER H H 1 7.74 0.02 . 1 . . . . . 107 SER H . 50124 1 1180 . 1 . 1 97 97 SER HA H 1 5.81 0.02 . 1 . . . . . 107 SER HA . 50124 1 1181 . 1 . 1 97 97 SER HB2 H 1 3.64 0.02 . 2 . . . . . 107 SER HB2 . 50124 1 1182 . 1 . 1 97 97 SER HB3 H 1 3.64 0.02 . 2 . . . . . 107 SER HB3 . 50124 1 1183 . 1 . 1 97 97 SER C C 13 172.9 0.05 . 1 . . . . . 107 SER C . 50124 1 1184 . 1 . 1 97 97 SER CA C 13 56.65 0.05 . 1 . . . . . 107 SER CA . 50124 1 1185 . 1 . 1 97 97 SER CB C 13 66.8 0.05 . 1 . . . . . 107 SER CB . 50124 1 1186 . 1 . 1 97 97 SER N N 15 113.5 0.1 . 1 . . . . . 107 SER N . 50124 1 1187 . 1 . 1 98 98 ALA H H 1 8.81 0.02 . 1 . . . . . 108 ALA H . 50124 1 1188 . 1 . 1 98 98 ALA HA H 1 4.67 0.02 . 1 . . . . . 108 ALA HA . 50124 1 1189 . 1 . 1 98 98 ALA HB1 H 1 1.19 0.02 . 1 . . . . . 108 ALA MB . 50124 1 1190 . 1 . 1 98 98 ALA HB2 H 1 1.19 0.02 . 1 . . . . . 108 ALA MB . 50124 1 1191 . 1 . 1 98 98 ALA HB3 H 1 1.19 0.02 . 1 . . . . . 108 ALA MB . 50124 1 1192 . 1 . 1 98 98 ALA C C 13 175.15 0.05 . 1 . . . . . 108 ALA C . 50124 1 1193 . 1 . 1 98 98 ALA CA C 13 51.02 0.05 . 1 . . . . . 108 ALA CA . 50124 1 1194 . 1 . 1 98 98 ALA CB C 13 23.21 0.05 . 1 . . . . . 108 ALA CB . 50124 1 1195 . 1 . 1 98 98 ALA N N 15 123.6 0.1 . 1 . . . . . 108 ALA N . 50124 1 1196 . 1 . 1 99 99 VAL H H 1 8.3 0.02 . 1 . . . . . 109 VAL H . 50124 1 1197 . 1 . 1 99 99 VAL HA H 1 4.71 0.02 . 1 . . . . . 109 VAL HA . 50124 1 1198 . 1 . 1 99 99 VAL HB H 1 1.92 0.02 . 1 . . . . . 109 VAL HB . 50124 1 1199 . 1 . 1 99 99 VAL HG11 H 1 0.89 0.02 . 2 . . . . . 109 VAL MG1 . 50124 1 1200 . 1 . 1 99 99 VAL HG12 H 1 0.89 0.02 . 2 . . . . . 109 VAL MG1 . 50124 1 1201 . 1 . 1 99 99 VAL HG13 H 1 0.89 0.02 . 2 . . . . . 109 VAL MG1 . 50124 1 1202 . 1 . 1 99 99 VAL HG21 H 1 0.77 0.02 . 2 . . . . . 109 VAL MG2 . 50124 1 1203 . 1 . 1 99 99 VAL HG22 H 1 0.77 0.02 . 2 . . . . . 109 VAL MG2 . 50124 1 1204 . 1 . 1 99 99 VAL HG23 H 1 0.77 0.02 . 2 . . . . . 109 VAL MG2 . 50124 1 1205 . 1 . 1 99 99 VAL C C 13 175.66 0.05 . 1 . . . . . 109 VAL C . 50124 1 1206 . 1 . 1 99 99 VAL CA C 13 61.96 0.05 . 1 . . . . . 109 VAL CA . 50124 1 1207 . 1 . 1 99 99 VAL CB C 13 32.43 0.05 . 1 . . . . . 109 VAL CB . 50124 1 1208 . 1 . 1 99 99 VAL CG1 C 13 21.49 0.05 . 2 . . . . . 109 VAL CG1 . 50124 1 1209 . 1 . 1 99 99 VAL CG2 C 13 21.33 0.05 . 2 . . . . . 109 VAL CG2 . 50124 1 1210 . 1 . 1 99 99 VAL N N 15 120.7 0.1 . 1 . . . . . 109 VAL N . 50124 1 1211 . 1 . 1 100 100 ILE H H 1 9.27 0.02 . 1 . . . . . 110 ILE H . 50124 1 1212 . 1 . 1 100 100 ILE HA H 1 4.58 0.02 . 1 . . . . . 110 ILE HA . 50124 1 1213 . 1 . 1 100 100 ILE HB H 1 1.8 0.02 . 1 . . . . . 110 ILE HB . 50124 1 1214 . 1 . 1 100 100 ILE HG12 H 1 1.37 0.02 . 2 . . . . . 110 ILE HG12 . 50124 1 1215 . 1 . 1 100 100 ILE HG13 H 1 1.15 0.02 . 2 . . . . . 110 ILE HG13 . 50124 1 1216 . 1 . 1 100 100 ILE HG21 H 1 0.73 0.02 . 1 . . . . . 110 ILE MG . 50124 1 1217 . 1 . 1 100 100 ILE HG22 H 1 0.73 0.02 . 1 . . . . . 110 ILE MG . 50124 1 1218 . 1 . 1 100 100 ILE HG23 H 1 0.73 0.02 . 1 . . . . . 110 ILE MG . 50124 1 1219 . 1 . 1 100 100 ILE HD11 H 1 0.67 0.02 . 1 . . . . . 110 ILE MD . 50124 1 1220 . 1 . 1 100 100 ILE HD12 H 1 0.67 0.02 . 1 . . . . . 110 ILE MD . 50124 1 1221 . 1 . 1 100 100 ILE HD13 H 1 0.67 0.02 . 1 . . . . . 110 ILE MD . 50124 1 1222 . 1 . 1 100 100 ILE C C 13 173.53 0.05 . 1 . . . . . 110 ILE C . 50124 1 1223 . 1 . 1 100 100 ILE CA C 13 58.68 0.05 . 1 . . . . . 110 ILE CA . 50124 1 1224 . 1 . 1 100 100 ILE CB C 13 40.87 0.05 . 1 . . . . . 110 ILE CB . 50124 1 1225 . 1 . 1 100 100 ILE CG1 C 13 26.96 0.05 . 1 . . . . . 110 ILE CG1 . 50124 1 1226 . 1 . 1 100 100 ILE CG2 C 13 17.9 0.05 . 1 . . . . . 110 ILE CG2 . 50124 1 1227 . 1 . 1 100 100 ILE CD1 C 13 14.15 0.05 . 1 . . . . . 110 ILE CD1 . 50124 1 1228 . 1 . 1 100 100 ILE N N 15 125.5 0.1 . 1 . . . . . 110 ILE N . 50124 1 1229 . 1 . 1 101 101 VAL H H 1 8.5 0.02 . 1 . . . . . 111 VAL H . 50124 1 1230 . 1 . 1 101 101 VAL HA H 1 4.76 0.02 . 1 . . . . . 111 VAL HA . 50124 1 1231 . 1 . 1 101 101 VAL HB H 1 1.99 0.02 . 1 . . . . . 111 VAL HB . 50124 1 1232 . 1 . 1 101 101 VAL HG11 H 1 0.86 0.02 . 2 . . . . . 111 VAL MG1 . 50124 1 1233 . 1 . 1 101 101 VAL HG12 H 1 0.86 0.02 . 2 . . . . . 111 VAL MG1 . 50124 1 1234 . 1 . 1 101 101 VAL HG13 H 1 0.86 0.02 . 2 . . . . . 111 VAL MG1 . 50124 1 1235 . 1 . 1 101 101 VAL HG21 H 1 0.92 0.02 . 2 . . . . . 111 VAL MG2 . 50124 1 1236 . 1 . 1 101 101 VAL HG22 H 1 0.92 0.02 . 2 . . . . . 111 VAL MG2 . 50124 1 1237 . 1 . 1 101 101 VAL HG23 H 1 0.92 0.02 . 2 . . . . . 111 VAL MG2 . 50124 1 1238 . 1 . 1 101 101 VAL C C 13 175.34 0.05 . 1 . . . . . 111 VAL C . 50124 1 1239 . 1 . 1 101 101 VAL CA C 13 61.18 0.05 . 1 . . . . . 111 VAL CA . 50124 1 1240 . 1 . 1 101 101 VAL CB C 13 33.05 0.05 . 1 . . . . . 111 VAL CB . 50124 1 1241 . 1 . 1 101 101 VAL CG1 C 13 21.49 0.05 . 2 . . . . . 111 VAL CG1 . 50124 1 1242 . 1 . 1 101 101 VAL CG2 C 13 21.18 0.05 . 2 . . . . . 111 VAL CG2 . 50124 1 1243 . 1 . 1 101 101 VAL N N 15 125.3 0.1 . 1 . . . . . 111 VAL N . 50124 1 1244 . 1 . 1 102 102 LEU H H 1 8.99 0.02 . 1 . . . . . 112 LEU H . 50124 1 1245 . 1 . 1 102 102 LEU HA H 1 4.85 0.02 . 1 . . . . . 112 LEU HA . 50124 1 1246 . 1 . 1 102 102 LEU HB2 H 1 1.81 0.02 . 2 . . . . . 112 LEU HB2 . 50124 1 1247 . 1 . 1 102 102 LEU HB3 H 1 1.02 0.02 . 2 . . . . . 112 LEU HB3 . 50124 1 1248 . 1 . 1 102 102 LEU HG H 1 1.53 0.02 . 1 . . . . . 112 LEU HG . 50124 1 1249 . 1 . 1 102 102 LEU HD11 H 1 0.64 0.02 . 2 . . . . . 112 LEU MD1 . 50124 1 1250 . 1 . 1 102 102 LEU HD12 H 1 0.64 0.02 . 2 . . . . . 112 LEU MD1 . 50124 1 1251 . 1 . 1 102 102 LEU HD13 H 1 0.64 0.02 . 2 . . . . . 112 LEU MD1 . 50124 1 1252 . 1 . 1 102 102 LEU HD21 H 1 0.72 0.02 . 2 . . . . . 112 LEU MD2 . 50124 1 1253 . 1 . 1 102 102 LEU HD22 H 1 0.72 0.02 . 2 . . . . . 112 LEU MD2 . 50124 1 1254 . 1 . 1 102 102 LEU HD23 H 1 0.72 0.02 . 2 . . . . . 112 LEU MD2 . 50124 1 1255 . 1 . 1 102 102 LEU C C 13 174.66 0.05 . 1 . . . . . 112 LEU C . 50124 1 1256 . 1 . 1 102 102 LEU CA C 13 52.27 0.05 . 1 . . . . . 112 LEU CA . 50124 1 1257 . 1 . 1 102 102 LEU CB C 13 42.27 0.05 . 1 . . . . . 112 LEU CB . 50124 1 1258 . 1 . 1 102 102 LEU CG C 13 26.33 0.05 . 1 . . . . . 112 LEU CG . 50124 1 1259 . 1 . 1 102 102 LEU CD1 C 13 25.55 0.05 . 2 . . . . . 112 LEU CD1 . 50124 1 1260 . 1 . 1 102 102 LEU CD2 C 13 23.05 0.05 . 2 . . . . . 112 LEU CD2 . 50124 1 1261 . 1 . 1 102 102 LEU N N 15 126.9 0.1 . 1 . . . . . 112 LEU N . 50124 1 1262 . 1 . 1 103 103 ASP H H 1 9.61 0.02 . 1 . . . . . 113 ASP H . 50124 1 1263 . 1 . 1 103 103 ASP HA H 1 5 0.02 . 1 . . . . . 113 ASP HA . 50124 1 1264 . 1 . 1 103 103 ASP HB2 H 1 2.88 0.02 . 2 . . . . . 113 ASP HB2 . 50124 1 1265 . 1 . 1 103 103 ASP HB3 H 1 2.82 0.02 . 2 . . . . . 113 ASP HB3 . 50124 1 1266 . 1 . 1 103 103 ASP C C 13 176.48 0.05 . 1 . . . . . 113 ASP C . 50124 1 1267 . 1 . 1 103 103 ASP CA C 13 51.96 0.05 . 1 . . . . . 113 ASP CA . 50124 1 1268 . 1 . 1 103 103 ASP CB C 13 43.37 0.05 . 1 . . . . . 113 ASP CB . 50124 1 1269 . 1 . 1 103 103 ASP N N 15 125.2 0.1 . 1 . . . . . 113 ASP N . 50124 1 1270 . 1 . 1 104 104 LYS H H 1 8.55 0.02 . 1 . . . . . 114 LYS H . 50124 1 1271 . 1 . 1 104 104 LYS HA H 1 3.89 0.02 . 1 . . . . . 114 LYS HA . 50124 1 1272 . 1 . 1 104 104 LYS HB2 H 1 1.9 0.02 . 2 . . . . . 114 LYS HB2 . 50124 1 1273 . 1 . 1 104 104 LYS HB3 H 1 1.8 0.02 . 2 . . . . . 114 LYS HB3 . 50124 1 1274 . 1 . 1 104 104 LYS HG2 H 1 1.46 0.02 . 2 . . . . . 114 LYS HG2 . 50124 1 1275 . 1 . 1 104 104 LYS HG3 H 1 1.46 0.02 . 2 . . . . . 114 LYS HG3 . 50124 1 1276 . 1 . 1 104 104 LYS HD2 H 1 1.71 0.02 . 2 . . . . . 114 LYS HD2 . 50124 1 1277 . 1 . 1 104 104 LYS HD3 H 1 1.71 0.02 . 2 . . . . . 114 LYS HD3 . 50124 1 1278 . 1 . 1 104 104 LYS HE2 H 1 3.04 0.02 . 2 . . . . . 114 LYS HE2 . 50124 1 1279 . 1 . 1 104 104 LYS HE3 H 1 3.04 0.02 . 2 . . . . . 114 LYS HE3 . 50124 1 1280 . 1 . 1 104 104 LYS C C 13 178.66 0.05 . 1 . . . . . 114 LYS C . 50124 1 1281 . 1 . 1 104 104 LYS CA C 13 59.46 0.05 . 1 . . . . . 114 LYS CA . 50124 1 1282 . 1 . 1 104 104 LYS CB C 13 31.96 0.05 . 1 . . . . . 114 LYS CB . 50124 1 1283 . 1 . 1 104 104 LYS CG C 13 24.61 0.05 . 1 . . . . . 114 LYS CG . 50124 1 1284 . 1 . 1 104 104 LYS CD C 13 28.99 0.05 . 1 . . . . . 114 LYS CD . 50124 1 1285 . 1 . 1 104 104 LYS CE C 13 41.96 0.05 . 1 . . . . . 114 LYS CE . 50124 1 1286 . 1 . 1 104 104 LYS N N 15 117.1 0.1 . 1 . . . . . 114 LYS N . 50124 1 1287 . 1 . 1 105 105 GLU H H 1 8.43 0.02 . 1 . . . . . 115 GLU H . 50124 1 1288 . 1 . 1 105 105 GLU HA H 1 3.79 0.02 . 1 . . . . . 115 GLU HA . 50124 1 1289 . 1 . 1 105 105 GLU HB2 H 1 1.55 0.02 . 2 . . . . . 115 GLU HB2 . 50124 1 1290 . 1 . 1 105 105 GLU HB3 H 1 1.36 0.02 . 2 . . . . . 115 GLU HB3 . 50124 1 1291 . 1 . 1 105 105 GLU HG2 H 1 2.16 0.02 . 2 . . . . . 115 GLU HG2 . 50124 1 1292 . 1 . 1 105 105 GLU HG3 H 1 2.16 0.02 . 2 . . . . . 115 GLU HG3 . 50124 1 1293 . 1 . 1 105 105 GLU C C 13 176.23 0.05 . 1 . . . . . 115 GLU C . 50124 1 1294 . 1 . 1 105 105 GLU CA C 13 58.83 0.05 . 1 . . . . . 115 GLU CA . 50124 1 1295 . 1 . 1 105 105 GLU CB C 13 28.68 0.05 . 1 . . . . . 115 GLU CB . 50124 1 1296 . 1 . 1 105 105 GLU CG C 13 36.96 0.05 . 1 . . . . . 115 GLU CG . 50124 1 1297 . 1 . 1 105 105 GLU N N 15 117.5 0.1 . 1 . . . . . 115 GLU N . 50124 1 1298 . 1 . 1 106 106 ASP H H 1 7.5 0.02 . 1 . . . . . 116 ASP H . 50124 1 1299 . 1 . 1 106 106 ASP HA H 1 4.17 0.02 . 1 . . . . . 116 ASP HA . 50124 1 1300 . 1 . 1 106 106 ASP HB2 H 1 2.5 0.02 . 2 . . . . . 116 ASP HB2 . 50124 1 1301 . 1 . 1 106 106 ASP HB3 H 1 2.81 0.02 . 2 . . . . . 116 ASP HB3 . 50124 1 1302 . 1 . 1 106 106 ASP C C 13 175.13 0.05 . 1 . . . . . 116 ASP C . 50124 1 1303 . 1 . 1 106 106 ASP CA C 13 56.8 0.05 . 1 . . . . . 116 ASP CA . 50124 1 1304 . 1 . 1 106 106 ASP CB C 13 43.83 0.05 . 1 . . . . . 116 ASP CB . 50124 1 1305 . 1 . 1 106 106 ASP N N 15 114.3 0.1 . 1 . . . . . 116 ASP N . 50124 1 1306 . 1 . 1 107 107 ILE H H 1 6.97 0.02 . 1 . . . . . 117 ILE H . 50124 1 1307 . 1 . 1 107 107 ILE HA H 1 3.95 0.02 . 1 . . . . . 117 ILE HA . 50124 1 1308 . 1 . 1 107 107 ILE HB H 1 1.64 0.02 . 1 . . . . . 117 ILE HB . 50124 1 1309 . 1 . 1 107 107 ILE HG12 H 1 0.49 0.02 . 2 . . . . . 117 ILE HG12 . 50124 1 1310 . 1 . 1 107 107 ILE HG13 H 1 1.5 0.02 . 2 . . . . . 117 ILE HG13 . 50124 1 1311 . 1 . 1 107 107 ILE HG21 H 1 0.6 0.02 . 1 . . . . . 117 ILE MG . 50124 1 1312 . 1 . 1 107 107 ILE HG22 H 1 0.6 0.02 . 1 . . . . . 117 ILE MG . 50124 1 1313 . 1 . 1 107 107 ILE HG23 H 1 0.6 0.02 . 1 . . . . . 117 ILE MG . 50124 1 1314 . 1 . 1 107 107 ILE HD11 H 1 0.53 0.02 . 1 . . . . . 117 ILE MD . 50124 1 1315 . 1 . 1 107 107 ILE HD12 H 1 0.53 0.02 . 1 . . . . . 117 ILE MD . 50124 1 1316 . 1 . 1 107 107 ILE HD13 H 1 0.53 0.02 . 1 . . . . . 117 ILE MD . 50124 1 1317 . 1 . 1 107 107 ILE C C 13 174.52 0.05 . 1 . . . . . 117 ILE C . 50124 1 1318 . 1 . 1 107 107 ILE CA C 13 60.4 0.05 . 1 . . . . . 117 ILE CA . 50124 1 1319 . 1 . 1 107 107 ILE CB C 13 38.05 0.05 . 1 . . . . . 117 ILE CB . 50124 1 1320 . 1 . 1 107 107 ILE CG1 C 13 27.43 0.05 . 1 . . . . . 117 ILE CG1 . 50124 1 1321 . 1 . 1 107 107 ILE CG2 C 13 17.9 0.05 . 1 . . . . . 117 ILE CG2 . 50124 1 1322 . 1 . 1 107 107 ILE CD1 C 13 12.89 0.05 . 1 . . . . . 117 ILE CD1 . 50124 1 1323 . 1 . 1 107 107 ILE N N 15 116 0.1 . 1 . . . . . 117 ILE N . 50124 1 1324 . 1 . 1 108 108 ALA H H 1 8.85 0.02 . 1 . . . . . 118 ALA H . 50124 1 1325 . 1 . 1 108 108 ALA HA H 1 3.89 0.02 . 1 . . . . . 118 ALA HA . 50124 1 1326 . 1 . 1 108 108 ALA HB1 H 1 0.29 0.02 . 1 . . . . . 118 ALA MB . 50124 1 1327 . 1 . 1 108 108 ALA HB2 H 1 0.29 0.02 . 1 . . . . . 118 ALA MB . 50124 1 1328 . 1 . 1 108 108 ALA HB3 H 1 0.29 0.02 . 1 . . . . . 118 ALA MB . 50124 1 1329 . 1 . 1 108 108 ALA C C 13 177.54 0.05 . 1 . . . . . 118 ALA C . 50124 1 1330 . 1 . 1 108 108 ALA CA C 13 51.65 0.05 . 1 . . . . . 118 ALA CA . 50124 1 1331 . 1 . 1 108 108 ALA CB C 13 18.27 0.05 . 1 . . . . . 118 ALA CB . 50124 1 1332 . 1 . 1 108 108 ALA N N 15 132.8 0.1 . 1 . . . . . 118 ALA N . 50124 1 1333 . 1 . 1 109 109 VAL H H 1 7.24 0.02 . 1 . . . . . 119 VAL H . 50124 1 1334 . 1 . 1 109 109 VAL HA H 1 3.93 0.02 . 1 . . . . . 119 VAL HA . 50124 1 1335 . 1 . 1 109 109 VAL HB H 1 1.7 0.02 . 1 . . . . . 119 VAL HB . 50124 1 1336 . 1 . 1 109 109 VAL HG11 H 1 0.53 0.02 . 2 . . . . . 119 VAL MG1 . 50124 1 1337 . 1 . 1 109 109 VAL HG12 H 1 0.53 0.02 . 2 . . . . . 119 VAL MG1 . 50124 1 1338 . 1 . 1 109 109 VAL HG13 H 1 0.53 0.02 . 2 . . . . . 119 VAL MG1 . 50124 1 1339 . 1 . 1 109 109 VAL HG21 H 1 0.7 0.02 . 2 . . . . . 119 VAL MG2 . 50124 1 1340 . 1 . 1 109 109 VAL HG22 H 1 0.7 0.02 . 2 . . . . . 119 VAL MG2 . 50124 1 1341 . 1 . 1 109 109 VAL HG23 H 1 0.7 0.02 . 2 . . . . . 119 VAL MG2 . 50124 1 1342 . 1 . 1 109 109 VAL C C 13 172.38 0.05 . 1 . . . . . 119 VAL C . 50124 1 1343 . 1 . 1 109 109 VAL CA C 13 61.33 0.05 . 1 . . . . . 119 VAL CA . 50124 1 1344 . 1 . 1 109 109 VAL CB C 13 34.61 0.05 . 1 . . . . . 119 VAL CB . 50124 1 1345 . 1 . 1 109 109 VAL CG1 C 13 21.65 0.05 . 2 . . . . . 119 VAL CG1 . 50124 1 1346 . 1 . 1 109 109 VAL CG2 C 13 21.49 0.05 . 2 . . . . . 119 VAL CG2 . 50124 1 1347 . 1 . 1 109 109 VAL N N 15 121.9 0.1 . 1 . . . . . 119 VAL N . 50124 1 1348 . 1 . 1 110 110 LEU H H 1 8.59 0.02 . 1 . . . . . 120 LEU H . 50124 1 1349 . 1 . 1 110 110 LEU HA H 1 4.38 0.02 . 1 . . . . . 120 LEU HA . 50124 1 1350 . 1 . 1 110 110 LEU HB2 H 1 1.62 0.02 . 2 . . . . . 120 LEU HB2 . 50124 1 1351 . 1 . 1 110 110 LEU HB3 H 1 1.07 0.02 . 2 . . . . . 120 LEU HB3 . 50124 1 1352 . 1 . 1 110 110 LEU HG H 1 1.54 0.02 . 1 . . . . . 120 LEU HG . 50124 1 1353 . 1 . 1 110 110 LEU HD11 H 1 0.96 0.02 . 2 . . . . . 120 LEU MD1 . 50124 1 1354 . 1 . 1 110 110 LEU HD12 H 1 0.96 0.02 . 2 . . . . . 120 LEU MD1 . 50124 1 1355 . 1 . 1 110 110 LEU HD13 H 1 0.96 0.02 . 2 . . . . . 120 LEU MD1 . 50124 1 1356 . 1 . 1 110 110 LEU HD21 H 1 0.85 0.02 . 2 . . . . . 120 LEU MD2 . 50124 1 1357 . 1 . 1 110 110 LEU HD22 H 1 0.85 0.02 . 2 . . . . . 120 LEU MD2 . 50124 1 1358 . 1 . 1 110 110 LEU HD23 H 1 0.85 0.02 . 2 . . . . . 120 LEU MD2 . 50124 1 1359 . 1 . 1 110 110 LEU CA C 13 52.58 0.05 . 1 . . . . . 120 LEU CA . 50124 1 1360 . 1 . 1 110 110 LEU CB C 13 43.83 0.05 . 1 . . . . . 120 LEU CB . 50124 1 1361 . 1 . 1 110 110 LEU CG C 13 26.49 0.05 . 1 . . . . . 120 LEU CG . 50124 1 1362 . 1 . 1 110 110 LEU CD1 C 13 22.58 0.05 . 2 . . . . . 120 LEU CD1 . 50124 1 1363 . 1 . 1 110 110 LEU CD2 C 13 25.08 0.05 . 2 . . . . . 120 LEU CD2 . 50124 1 1364 . 1 . 1 110 110 LEU N N 15 123.8 0.1 . 1 . . . . . 120 LEU N . 50124 1 1365 . 1 . 1 111 111 TYR HA H 1 4.44 0.02 . 1 . . . . . 121 TYR HA . 50124 1 1366 . 1 . 1 111 111 TYR HB2 H 1 2 0.02 . 2 . . . . . 121 TYR HB2 . 50124 1 1367 . 1 . 1 111 111 TYR HB3 H 1 2.76 0.02 . 2 . . . . . 121 TYR HB3 . 50124 1 1368 . 1 . 1 111 111 TYR HD1 H 1 6.7 0.02 . 3 . . . . . 121 TYR HD1 . 50124 1 1369 . 1 . 1 111 111 TYR HD2 H 1 6.7 0.02 . 3 . . . . . 121 TYR HD2 . 50124 1 1370 . 1 . 1 111 111 TYR HE1 H 1 6.64 0.02 . 3 . . . . . 121 TYR HE1 . 50124 1 1371 . 1 . 1 111 111 TYR HE2 H 1 6.64 0.02 . 3 . . . . . 121 TYR HE2 . 50124 1 1372 . 1 . 1 111 111 TYR CA C 13 54.77 0.05 . 1 . . . . . 121 TYR CA . 50124 1 1373 . 1 . 1 111 111 TYR CB C 13 38.36 0.05 . 1 . . . . . 121 TYR CB . 50124 1 1374 . 1 . 1 111 111 TYR CD1 C 13 133.14 0.05 . 3 . . . . . 121 TYR CD1 . 50124 1 1375 . 1 . 1 111 111 TYR CD2 C 13 133.14 0.05 . 3 . . . . . 121 TYR CD2 . 50124 1 1376 . 1 . 1 111 111 TYR CE1 C 13 117.98 0.05 . 3 . . . . . 121 TYR CE1 . 50124 1 1377 . 1 . 1 111 111 TYR CE2 C 13 117.98 0.05 . 3 . . . . . 121 TYR CE2 . 50124 1 1378 . 1 . 1 111 111 TYR N N 15 116.5 0.1 . 1 . . . . . 121 TYR N . 50124 1 1379 . 1 . 1 112 112 PRO HA H 1 3.98 0.02 . 1 . . . . . 122 PRO HA . 50124 1 1380 . 1 . 1 112 112 PRO HB2 H 1 2.1 0.02 . 2 . . . . . 122 PRO HB2 . 50124 1 1381 . 1 . 1 112 112 PRO HB3 H 1 1.83 0.02 . 2 . . . . . 122 PRO HB3 . 50124 1 1382 . 1 . 1 112 112 PRO HG2 H 1 1.43 0.02 . 2 . . . . . 122 PRO HG2 . 50124 1 1383 . 1 . 1 112 112 PRO HG3 H 1 1.72 0.02 . 2 . . . . . 122 PRO HG3 . 50124 1 1384 . 1 . 1 112 112 PRO HD2 H 1 3.06 0.02 . 2 . . . . . 122 PRO HD2 . 50124 1 1385 . 1 . 1 112 112 PRO HD3 H 1 3.53 0.02 . 2 . . . . . 122 PRO HD3 . 50124 1 1386 . 1 . 1 112 112 PRO C C 13 175.78 0.05 . 1 . . . . . 122 PRO C . 50124 1 1387 . 1 . 1 112 112 PRO CA C 13 64.62 0.05 . 1 . . . . . 122 PRO CA . 50124 1 1388 . 1 . 1 112 112 PRO CB C 13 32.27 0.05 . 1 . . . . . 122 PRO CB . 50124 1 1389 . 1 . 1 112 112 PRO CG C 13 26.8 0.05 . 1 . . . . . 122 PRO CG . 50124 1 1390 . 1 . 1 112 112 PRO CD C 13 50.24 0.05 . 1 . . . . . 122 PRO CD . 50124 1 1391 . 1 . 1 112 112 PRO N N 15 131.6 0.1 . 1 . . . . . 122 PRO N . 50124 1 1392 . 1 . 1 113 113 ASP H H 1 8.4 0.02 . 1 . . . . . 123 ASP H . 50124 1 1393 . 1 . 1 113 113 ASP HA H 1 4.55 0.02 . 1 . . . . . 123 ASP HA . 50124 1 1394 . 1 . 1 113 113 ASP HB2 H 1 2.67 0.02 . 2 . . . . . 123 ASP HB2 . 50124 1 1395 . 1 . 1 113 113 ASP HB3 H 1 2.69 0.02 . 2 . . . . . 123 ASP HB3 . 50124 1 1396 . 1 . 1 113 113 ASP C C 13 176.2 0.05 . 1 . . . . . 123 ASP C . 50124 1 1397 . 1 . 1 113 113 ASP CA C 13 53.99 0.05 . 1 . . . . . 123 ASP CA . 50124 1 1398 . 1 . 1 113 113 ASP CB C 13 40.4 0.05 . 1 . . . . . 123 ASP CB . 50124 1 1399 . 1 . 1 113 113 ASP N N 15 116.4 0.1 . 1 . . . . . 123 ASP N . 50124 1 1400 . 1 . 1 114 114 LYS H H 1 8.3 0.02 . 1 . . . . . 124 LYS H . 50124 1 1401 . 1 . 1 114 114 LYS HA H 1 4.58 0.02 . 1 . . . . . 124 LYS HA . 50124 1 1402 . 1 . 1 114 114 LYS HB2 H 1 2.01 0.02 . 2 . . . . . 124 LYS HB2 . 50124 1 1403 . 1 . 1 114 114 LYS HB3 H 1 2.01 0.02 . 2 . . . . . 124 LYS HB3 . 50124 1 1404 . 1 . 1 114 114 LYS HG2 H 1 1.41 0.02 . 2 . . . . . 124 LYS HG2 . 50124 1 1405 . 1 . 1 114 114 LYS HG3 H 1 1.41 0.02 . 2 . . . . . 124 LYS HG3 . 50124 1 1406 . 1 . 1 114 114 LYS HD2 H 1 1.6 0.02 . 2 . . . . . 124 LYS HD2 . 50124 1 1407 . 1 . 1 114 114 LYS HD3 H 1 1.47 0.02 . 2 . . . . . 124 LYS HD3 . 50124 1 1408 . 1 . 1 114 114 LYS HE2 H 1 2.86 0.02 . 2 . . . . . 124 LYS HE2 . 50124 1 1409 . 1 . 1 114 114 LYS HE3 H 1 2.86 0.02 . 2 . . . . . 124 LYS HE3 . 50124 1 1410 . 1 . 1 114 114 LYS C C 13 176.67 0.05 . 1 . . . . . 124 LYS C . 50124 1 1411 . 1 . 1 114 114 LYS CA C 13 55.4 0.05 . 1 . . . . . 124 LYS CA . 50124 1 1412 . 1 . 1 114 114 LYS CB C 13 34.15 0.05 . 1 . . . . . 124 LYS CB . 50124 1 1413 . 1 . 1 114 114 LYS CG C 13 25.08 0.05 . 1 . . . . . 124 LYS CG . 50124 1 1414 . 1 . 1 114 114 LYS CD C 13 29.15 0.05 . 1 . . . . . 124 LYS CD . 50124 1 1415 . 1 . 1 114 114 LYS CE C 13 41.96 0.05 . 1 . . . . . 124 LYS CE . 50124 1 1416 . 1 . 1 114 114 LYS N N 15 120.8 0.1 . 1 . . . . . 124 LYS N . 50124 1 1417 . 1 . 1 115 115 THR H H 1 8.22 0.02 . 1 . . . . . 125 THR H . 50124 1 1418 . 1 . 1 115 115 THR HA H 1 4.09 0.02 . 1 . . . . . 125 THR HA . 50124 1 1419 . 1 . 1 115 115 THR HB H 1 4.07 0.02 . 1 . . . . . 125 THR HB . 50124 1 1420 . 1 . 1 115 115 THR HG21 H 1 1.26 0.02 . 1 . . . . . 125 THR MG . 50124 1 1421 . 1 . 1 115 115 THR HG22 H 1 1.26 0.02 . 1 . . . . . 125 THR MG . 50124 1 1422 . 1 . 1 115 115 THR HG23 H 1 1.26 0.02 . 1 . . . . . 125 THR MG . 50124 1 1423 . 1 . 1 115 115 THR CA C 13 63.99 0.05 . 1 . . . . . 125 THR CA . 50124 1 1424 . 1 . 1 115 115 THR CB C 13 68.99 0.05 . 1 . . . . . 125 THR CB . 50124 1 1425 . 1 . 1 115 115 THR N N 15 116.7 0.1 . 1 . . . . . 125 THR N . 50124 1 1426 . 1 . 1 116 116 GLY H H 1 8.74 0.02 . 1 . . . . . 126 GLY H . 50124 1 1427 . 1 . 1 116 116 GLY HA2 H 1 3.69 0.02 . 2 . . . . . 126 GLY HA2 . 50124 1 1428 . 1 . 1 116 116 GLY HA3 H 1 4.09 0.02 . 2 . . . . . 126 GLY HA3 . 50124 1 1429 . 1 . 1 116 116 GLY C C 13 174.91 0.05 . 1 . . . . . 126 GLY C . 50124 1 1430 . 1 . 1 116 116 GLY CA C 13 45.08 0.05 . 1 . . . . . 126 GLY CA . 50124 1 1431 . 1 . 1 116 116 GLY N N 15 112.9 0.1 . 1 . . . . . 126 GLY N . 50124 1 1432 . 1 . 1 117 117 TYR H H 1 8.1 0.02 . 1 . . . . . 127 TYR H . 50124 1 1433 . 1 . 1 117 117 TYR HA H 1 4.76 0.02 . 1 . . . . . 127 TYR HA . 50124 1 1434 . 1 . 1 117 117 TYR HB2 H 1 2.85 0.02 . 2 . . . . . 127 TYR HB2 . 50124 1 1435 . 1 . 1 117 117 TYR HB3 H 1 3.16 0.02 . 2 . . . . . 127 TYR HB3 . 50124 1 1436 . 1 . 1 117 117 TYR HD1 H 1 7.14 0.02 . 3 . . . . . 127 TYR HD1 . 50124 1 1437 . 1 . 1 117 117 TYR HD2 H 1 7.14 0.02 . 3 . . . . . 127 TYR HD2 . 50124 1 1438 . 1 . 1 117 117 TYR HE1 H 1 6.89 0.02 . 3 . . . . . 127 TYR HE1 . 50124 1 1439 . 1 . 1 117 117 TYR HE2 H 1 6.89 0.02 . 3 . . . . . 127 TYR HE2 . 50124 1 1440 . 1 . 1 117 117 TYR CA C 13 57.58 0.05 . 1 . . . . . 127 TYR CA . 50124 1 1441 . 1 . 1 117 117 TYR CB C 13 40.08 0.05 . 1 . . . . . 127 TYR CB . 50124 1 1442 . 1 . 1 117 117 TYR CD1 C 13 134.25 0.05 . 3 . . . . . 127 TYR CD1 . 50124 1 1443 . 1 . 1 117 117 TYR CD2 C 13 134.25 0.05 . 3 . . . . . 127 TYR CD2 . 50124 1 1444 . 1 . 1 117 117 TYR CE1 C 13 118.65 0.05 . 3 . . . . . 127 TYR CE1 . 50124 1 1445 . 1 . 1 117 117 TYR CE2 C 13 118.65 0.05 . 3 . . . . . 127 TYR CE2 . 50124 1 1446 . 1 . 1 117 117 TYR N N 15 116.9 0.1 . 1 . . . . . 127 TYR N . 50124 1 1447 . 1 . 1 118 118 THR HA H 1 4.2 0.02 . 1 . . . . . 128 THR HA . 50124 1 1448 . 1 . 1 118 118 THR HB H 1 4.04 0.02 . 1 . . . . . 128 THR HB . 50124 1 1449 . 1 . 1 118 118 THR HG21 H 1 1.26 0.02 . 1 . . . . . 128 THR MG . 50124 1 1450 . 1 . 1 118 118 THR HG22 H 1 1.26 0.02 . 1 . . . . . 128 THR MG . 50124 1 1451 . 1 . 1 118 118 THR HG23 H 1 1.26 0.02 . 1 . . . . . 128 THR MG . 50124 1 1452 . 1 . 1 118 118 THR C C 13 174.49 0.05 . 1 . . . . . 128 THR C . 50124 1 1453 . 1 . 1 118 118 THR CA C 13 63.83 0.05 . 1 . . . . . 128 THR CA . 50124 1 1454 . 1 . 1 118 118 THR CB C 13 68.99 0.05 . 1 . . . . . 128 THR CB . 50124 1 1455 . 1 . 1 118 118 THR CG2 C 13 21.96 0.05 . 1 . . . . . 128 THR CG2 . 50124 1 1456 . 1 . 1 118 118 THR N N 15 118 0.1 . 1 . . . . . 128 THR N . 50124 1 1457 . 1 . 1 119 119 ASN H H 1 8.8 0.02 . 1 . . . . . 129 ASN H . 50124 1 1458 . 1 . 1 119 119 ASN HA H 1 4.26 0.02 . 1 . . . . . 129 ASN HA . 50124 1 1459 . 1 . 1 119 119 ASN HB2 H 1 3.16 0.02 . 2 . . . . . 129 ASN HB2 . 50124 1 1460 . 1 . 1 119 119 ASN HB3 H 1 2.86 0.02 . 2 . . . . . 129 ASN HB3 . 50124 1 1461 . 1 . 1 119 119 ASN HD21 H 1 7.24 0.02 . 1 . . . . . 129 ASN HD21 . 50124 1 1462 . 1 . 1 119 119 ASN HD22 H 1 6.82 0.02 . 1 . . . . . 129 ASN HD22 . 50124 1 1463 . 1 . 1 119 119 ASN C C 13 175.05 0.05 . 1 . . . . . 129 ASN C . 50124 1 1464 . 1 . 1 119 119 ASN CA C 13 54.15 0.05 . 1 . . . . . 129 ASN CA . 50124 1 1465 . 1 . 1 119 119 ASN CB C 13 37.27 0.05 . 1 . . . . . 129 ASN CB . 50124 1 1466 . 1 . 1 119 119 ASN N N 15 122.5 0.1 . 1 . . . . . 129 ASN N . 50124 1 1467 . 1 . 1 119 119 ASN ND2 N 15 111.3 0.1 . 1 . . . . . 129 ASN ND2 . 50124 1 1468 . 1 . 1 120 120 THR H H 1 7.66 0.02 . 1 . . . . . 130 THR H . 50124 1 1469 . 1 . 1 120 120 THR HA H 1 4.95 0.02 . 1 . . . . . 130 THR HA . 50124 1 1470 . 1 . 1 120 120 THR HB H 1 4.23 0.02 . 1 . . . . . 130 THR HB . 50124 1 1471 . 1 . 1 120 120 THR HG21 H 1 1.07 0.02 . 1 . . . . . 130 THR MG . 50124 1 1472 . 1 . 1 120 120 THR HG22 H 1 1.07 0.02 . 1 . . . . . 130 THR MG . 50124 1 1473 . 1 . 1 120 120 THR HG23 H 1 1.07 0.02 . 1 . . . . . 130 THR MG . 50124 1 1474 . 1 . 1 120 120 THR C C 13 173.02 0.05 . 1 . . . . . 130 THR C . 50124 1 1475 . 1 . 1 120 120 THR CA C 13 61.02 0.05 . 1 . . . . . 130 THR CA . 50124 1 1476 . 1 . 1 120 120 THR CB C 13 72.12 0.05 . 1 . . . . . 130 THR CB . 50124 1 1477 . 1 . 1 120 120 THR CG2 C 13 22.58 0.05 . 1 . . . . . 130 THR CG2 . 50124 1 1478 . 1 . 1 120 120 THR N N 15 110.6 0.1 . 1 . . . . . 130 THR N . 50124 1 1479 . 1 . 1 121 121 SER H H 1 9.15 0.02 . 1 . . . . . 131 SER H . 50124 1 1480 . 1 . 1 121 121 SER HA H 1 5.62 0.02 . 1 . . . . . 131 SER HA . 50124 1 1481 . 1 . 1 121 121 SER HB2 H 1 4.28 0.02 . 2 . . . . . 131 SER HB2 . 50124 1 1482 . 1 . 1 121 121 SER HB3 H 1 4.13 0.02 . 2 . . . . . 131 SER HB3 . 50124 1 1483 . 1 . 1 121 121 SER C C 13 173.51 0.05 . 1 . . . . . 131 SER C . 50124 1 1484 . 1 . 1 121 121 SER CA C 13 57.43 0.05 . 1 . . . . . 131 SER CA . 50124 1 1485 . 1 . 1 121 121 SER CB C 13 67.74 0.05 . 1 . . . . . 131 SER CB . 50124 1 1486 . 1 . 1 121 121 SER N N 15 113.6 0.1 . 1 . . . . . 131 SER N . 50124 1 1487 . 1 . 1 122 122 ILE H H 1 8.79 0.02 . 1 . . . . . 132 ILE H . 50124 1 1488 . 1 . 1 122 122 ILE HA H 1 4.85 0.02 . 1 . . . . . 132 ILE HA . 50124 1 1489 . 1 . 1 122 122 ILE HB H 1 1.53 0.02 . 1 . . . . . 132 ILE HB . 50124 1 1490 . 1 . 1 122 122 ILE HG12 H 1 1.45 0.02 . 2 . . . . . 132 ILE HG12 . 50124 1 1491 . 1 . 1 122 122 ILE HG13 H 1 0.82 0.02 . 2 . . . . . 132 ILE HG13 . 50124 1 1492 . 1 . 1 122 122 ILE HG21 H 1 0.69 0.02 . 1 . . . . . 132 ILE MG . 50124 1 1493 . 1 . 1 122 122 ILE HG22 H 1 0.69 0.02 . 1 . . . . . 132 ILE MG . 50124 1 1494 . 1 . 1 122 122 ILE HG23 H 1 0.69 0.02 . 1 . . . . . 132 ILE MG . 50124 1 1495 . 1 . 1 122 122 ILE HD11 H 1 0.51 0.02 . 1 . . . . . 132 ILE MD . 50124 1 1496 . 1 . 1 122 122 ILE HD12 H 1 0.51 0.02 . 1 . . . . . 132 ILE MD . 50124 1 1497 . 1 . 1 122 122 ILE HD13 H 1 0.51 0.02 . 1 . . . . . 132 ILE MD . 50124 1 1498 . 1 . 1 122 122 ILE C C 13 175.05 0.05 . 1 . . . . . 132 ILE C . 50124 1 1499 . 1 . 1 122 122 ILE CA C 13 59.77 0.05 . 1 . . . . . 132 ILE CA . 50124 1 1500 . 1 . 1 122 122 ILE CB C 13 41.65 0.05 . 1 . . . . . 132 ILE CB . 50124 1 1501 . 1 . 1 122 122 ILE CG1 C 13 27.58 0.05 . 1 . . . . . 132 ILE CG1 . 50124 1 1502 . 1 . 1 122 122 ILE CG2 C 13 17.58 0.05 . 1 . . . . . 132 ILE CG2 . 50124 1 1503 . 1 . 1 122 122 ILE CD1 C 13 14.15 0.05 . 1 . . . . . 132 ILE CD1 . 50124 1 1504 . 1 . 1 122 122 ILE N N 15 121.3 0.1 . 1 . . . . . 132 ILE N . 50124 1 1505 . 1 . 1 123 123 TRP H H 1 9.03 0.02 . 1 . . . . . 133 TRP H . 50124 1 1506 . 1 . 1 123 123 TRP HA H 1 5.5 0.02 . 1 . . . . . 133 TRP HA . 50124 1 1507 . 1 . 1 123 123 TRP HB2 H 1 2.96 0.02 . 2 . . . . . 133 TRP HB2 . 50124 1 1508 . 1 . 1 123 123 TRP HB3 H 1 3.23 0.02 . 2 . . . . . 133 TRP HB3 . 50124 1 1509 . 1 . 1 123 123 TRP HD1 H 1 7.3 0.02 . 1 . . . . . 133 TRP HD1 . 50124 1 1510 . 1 . 1 123 123 TRP HE1 H 1 10.06 0.02 . 1 . . . . . 133 TRP HE1 . 50124 1 1511 . 1 . 1 123 123 TRP HE3 H 1 7.14 0.02 . 1 . . . . . 133 TRP HE3 . 50124 1 1512 . 1 . 1 123 123 TRP HZ2 H 1 7.34 0.02 . 1 . . . . . 133 TRP HZ2 . 50124 1 1513 . 1 . 1 123 123 TRP HZ3 H 1 7.14 0.02 . 1 . . . . . 133 TRP HZ3 . 50124 1 1514 . 1 . 1 123 123 TRP HH2 H 1 6.92 0.02 . 1 . . . . . 133 TRP HH2 . 50124 1 1515 . 1 . 1 123 123 TRP C C 13 173.06 0.05 . 1 . . . . . 133 TRP C . 50124 1 1516 . 1 . 1 123 123 TRP CA C 13 55.24 0.05 . 1 . . . . . 133 TRP CA . 50124 1 1517 . 1 . 1 123 123 TRP CB C 13 32.9 0.05 . 1 . . . . . 133 TRP CB . 50124 1 1518 . 1 . 1 123 123 TRP CD1 C 13 129.61 0.05 . 1 . . . . . 133 TRP CD1 . 50124 1 1519 . 1 . 1 123 123 TRP CE3 C 13 120.24 0.05 . 1 . . . . . 133 TRP CE3 . 50124 1 1520 . 1 . 1 123 123 TRP CZ2 C 13 114.71 0.05 . 1 . . . . . 133 TRP CZ2 . 50124 1 1521 . 1 . 1 123 123 TRP N N 15 126.1 0.1 . 1 . . . . . 133 TRP N . 50124 1 1522 . 1 . 1 123 123 TRP NE1 N 15 131.9 0.1 . 1 . . . . . 133 TRP NE1 . 50124 1 1523 . 1 . 1 124 124 VAL H H 1 6.95 0.02 . 1 . . . . . 134 VAL H . 50124 1 1524 . 1 . 1 124 124 VAL HA H 1 3.78 0.02 . 1 . . . . . 134 VAL HA . 50124 1 1525 . 1 . 1 124 124 VAL HB H 1 1.77 0.02 . 1 . . . . . 134 VAL HB . 50124 1 1526 . 1 . 1 124 124 VAL HG11 H 1 0.69 0.02 . 2 . . . . . 134 VAL MG1 . 50124 1 1527 . 1 . 1 124 124 VAL HG12 H 1 0.69 0.02 . 2 . . . . . 134 VAL MG1 . 50124 1 1528 . 1 . 1 124 124 VAL HG13 H 1 0.69 0.02 . 2 . . . . . 134 VAL MG1 . 50124 1 1529 . 1 . 1 124 124 VAL HG21 H 1 0.24 0.02 . 2 . . . . . 134 VAL MG2 . 50124 1 1530 . 1 . 1 124 124 VAL HG22 H 1 0.24 0.02 . 2 . . . . . 134 VAL MG2 . 50124 1 1531 . 1 . 1 124 124 VAL HG23 H 1 0.24 0.02 . 2 . . . . . 134 VAL MG2 . 50124 1 1532 . 1 . 1 124 124 VAL CA C 13 60.55 0.05 . 1 . . . . . 134 VAL CA . 50124 1 1533 . 1 . 1 124 124 VAL CB C 13 33.52 0.05 . 1 . . . . . 134 VAL CB . 50124 1 1534 . 1 . 1 124 124 VAL CG1 C 13 19.93 0.05 . 2 . . . . . 134 VAL CG1 . 50124 1 1535 . 1 . 1 124 124 VAL CG2 C 13 21.33 0.05 . 2 . . . . . 134 VAL CG2 . 50124 1 1536 . 1 . 1 124 124 VAL N N 15 120.5 0.1 . 1 . . . . . 134 VAL N . 50124 1 1537 . 1 . 1 125 125 PRO HA H 1 3.96 0.02 . 1 . . . . . 135 PRO HA . 50124 1 1538 . 1 . 1 125 125 PRO C C 13 177.21 0.05 . 1 . . . . . 135 PRO C . 50124 1 1539 . 1 . 1 125 125 PRO CA C 13 64.58 0.05 . 1 . . . . . 135 PRO CA . 50124 1 1540 . 1 . 1 125 125 PRO CB C 13 31.33 0.05 . 1 . . . . . 135 PRO CB . 50124 1 1541 . 1 . 1 125 125 PRO N N 15 138.3 0.1 . 1 . . . . . 135 PRO N . 50124 1 1542 . 1 . 1 126 126 GLY H H 1 8.67 0.02 . 1 . . . . . 136 GLY H . 50124 1 1543 . 1 . 1 126 126 GLY HA2 H 1 4.26 0.02 . 2 . . . . . 136 GLY HA2 . 50124 1 1544 . 1 . 1 126 126 GLY HA3 H 1 3.82 0.02 . 2 . . . . . 136 GLY HA3 . 50124 1 1545 . 1 . 1 126 126 GLY C C 13 174.59 0.05 . 1 . . . . . 136 GLY C . 50124 1 1546 . 1 . 1 126 126 GLY CA C 13 45.24 0.05 . 1 . . . . . 136 GLY CA . 50124 1 1547 . 1 . 1 126 126 GLY N N 15 111.1 0.1 . 1 . . . . . 136 GLY N . 50124 1 1548 . 1 . 1 127 127 GLU H H 1 8.49 0.02 . 1 . . . . . 137 GLU H . 50124 1 1549 . 1 . 1 127 127 GLU HA H 1 4.94 0.02 . 1 . . . . . 137 GLU HA . 50124 1 1550 . 1 . 1 127 127 GLU HB2 H 1 1.91 0.02 . 2 . . . . . 137 GLU HB2 . 50124 1 1551 . 1 . 1 127 127 GLU HB3 H 1 1.91 0.02 . 2 . . . . . 137 GLU HB3 . 50124 1 1552 . 1 . 1 127 127 GLU HG2 H 1 2.13 0.02 . 2 . . . . . 137 GLU HG2 . 50124 1 1553 . 1 . 1 127 127 GLU HG3 H 1 2.13 0.02 . 2 . . . . . 137 GLU HG3 . 50124 1 1554 . 1 . 1 127 127 GLU CA C 13 53.21 0.05 . 1 . . . . . 137 GLU CA . 50124 1 1555 . 1 . 1 127 127 GLU CB C 13 29.77 0.05 . 1 . . . . . 137 GLU CB . 50124 1 1556 . 1 . 1 127 127 GLU CG C 13 34.61 0.05 . 1 . . . . . 137 GLU CG . 50124 1 1557 . 1 . 1 127 127 GLU N N 15 119.4 0.1 . 1 . . . . . 137 GLU N . 50124 1 1558 . 1 . 1 128 128 PRO HA H 1 3.04 0.02 . 1 . . . . . 138 PRO HA . 50124 1 1559 . 1 . 1 128 128 PRO HB2 H 1 1.29 0.02 . 2 . . . . . 138 PRO HB2 . 50124 1 1560 . 1 . 1 128 128 PRO HB3 H 1 1.31 0.02 . 2 . . . . . 138 PRO HB3 . 50124 1 1561 . 1 . 1 128 128 PRO HG2 H 1 1.68 0.02 . 2 . . . . . 138 PRO HG2 . 50124 1 1562 . 1 . 1 128 128 PRO HG3 H 1 1.68 0.02 . 2 . . . . . 138 PRO HG3 . 50124 1 1563 . 1 . 1 128 128 PRO HD2 H 1 3.35 0.02 . 2 . . . . . 138 PRO HD2 . 50124 1 1564 . 1 . 1 128 128 PRO HD3 H 1 3.61 0.02 . 2 . . . . . 138 PRO HD3 . 50124 1 1565 . 1 . 1 128 128 PRO C C 13 176.02 0.05 . 1 . . . . . 138 PRO C . 50124 1 1566 . 1 . 1 128 128 PRO CA C 13 63.55 0.05 . 1 . . . . . 138 PRO CA . 50124 1 1567 . 1 . 1 128 128 PRO CB C 13 31.18 0.05 . 1 . . . . . 138 PRO CB . 50124 1 1568 . 1 . 1 128 128 PRO CG C 13 26.8 0.05 . 1 . . . . . 138 PRO CG . 50124 1 1569 . 1 . 1 128 128 PRO CD C 13 49.93 0.05 . 1 . . . . . 138 PRO CD . 50124 1 1570 . 1 . 1 128 128 PRO N N 15 134 0.1 . 1 . . . . . 138 PRO N . 50124 1 1571 . 1 . 1 129 129 ASP H H 1 8.18 0.02 . 1 . . . . . 139 ASP H . 50124 1 1572 . 1 . 1 129 129 ASP HA H 1 4.43 0.02 . 1 . . . . . 139 ASP HA . 50124 1 1573 . 1 . 1 129 129 ASP HB2 H 1 2.57 0.02 . 2 . . . . . 139 ASP HB2 . 50124 1 1574 . 1 . 1 129 129 ASP HB3 H 1 2.57 0.02 . 2 . . . . . 139 ASP HB3 . 50124 1 1575 . 1 . 1 129 129 ASP C C 13 177.31 0.05 . 1 . . . . . 139 ASP C . 50124 1 1576 . 1 . 1 129 129 ASP CA C 13 53.99 0.05 . 1 . . . . . 139 ASP CA . 50124 1 1577 . 1 . 1 129 129 ASP CB C 13 40.24 0.05 . 1 . . . . . 139 ASP CB . 50124 1 1578 . 1 . 1 129 129 ASP N N 15 113.3 0.1 . 1 . . . . . 139 ASP N . 50124 1 1579 . 1 . 1 130 130 LYS H H 1 8.3 0.02 . 1 . . . . . 140 LYS H . 50124 1 1580 . 1 . 1 130 130 LYS HA H 1 4.49 0.02 . 1 . . . . . 140 LYS HA . 50124 1 1581 . 1 . 1 130 130 LYS HB2 H 1 1.69 0.02 . 2 . . . . . 140 LYS HB2 . 50124 1 1582 . 1 . 1 130 130 LYS HB3 H 1 1.99 0.02 . 2 . . . . . 140 LYS HB3 . 50124 1 1583 . 1 . 1 130 130 LYS HG2 H 1 1.38 0.02 . 2 . . . . . 140 LYS HG2 . 50124 1 1584 . 1 . 1 130 130 LYS HG3 H 1 1.29 0.02 . 2 . . . . . 140 LYS HG3 . 50124 1 1585 . 1 . 1 130 130 LYS HD2 H 1 1.51 0.02 . 2 . . . . . 140 LYS HD2 . 50124 1 1586 . 1 . 1 130 130 LYS HD3 H 1 1.51 0.02 . 2 . . . . . 140 LYS HD3 . 50124 1 1587 . 1 . 1 130 130 LYS HE2 H 1 3.07 0.02 . 2 . . . . . 140 LYS HE2 . 50124 1 1588 . 1 . 1 130 130 LYS HE3 H 1 3.11 0.02 . 2 . . . . . 140 LYS HE3 . 50124 1 1589 . 1 . 1 130 130 LYS C C 13 174.54 0.05 . 1 . . . . . 140 LYS C . 50124 1 1590 . 1 . 1 130 130 LYS CA C 13 54.3 0.05 . 1 . . . . . 140 LYS CA . 50124 1 1591 . 1 . 1 130 130 LYS CB C 13 29.77 0.05 . 1 . . . . . 140 LYS CB . 50124 1 1592 . 1 . 1 130 130 LYS CG C 13 24.93 0.05 . 1 . . . . . 140 LYS CG . 50124 1 1593 . 1 . 1 130 130 LYS CD C 13 28.52 0.05 . 1 . . . . . 140 LYS CD . 50124 1 1594 . 1 . 1 130 130 LYS CE C 13 41.96 0.05 . 1 . . . . . 140 LYS CE . 50124 1 1595 . 1 . 1 130 130 LYS N N 15 125.8 0.1 . 1 . . . . . 140 LYS N . 50124 1 1596 . 1 . 1 131 131 ILE H H 1 7.1 0.02 . 1 . . . . . 141 ILE H . 50124 1 1597 . 1 . 1 131 131 ILE HA H 1 4.08 0.02 . 1 . . . . . 141 ILE HA . 50124 1 1598 . 1 . 1 131 131 ILE HB H 1 1.8 0.02 . 1 . . . . . 141 ILE HB . 50124 1 1599 . 1 . 1 131 131 ILE HG12 H 1 1.16 0.02 . 2 . . . . . 141 ILE HG12 . 50124 1 1600 . 1 . 1 131 131 ILE HG13 H 1 1.59 0.02 . 2 . . . . . 141 ILE HG13 . 50124 1 1601 . 1 . 1 131 131 ILE HG21 H 1 0.99 0.02 . 1 . . . . . 141 ILE MG . 50124 1 1602 . 1 . 1 131 131 ILE HG22 H 1 0.99 0.02 . 1 . . . . . 141 ILE MG . 50124 1 1603 . 1 . 1 131 131 ILE HG23 H 1 0.99 0.02 . 1 . . . . . 141 ILE MG . 50124 1 1604 . 1 . 1 131 131 ILE HD11 H 1 0.82 0.02 . 1 . . . . . 141 ILE MD . 50124 1 1605 . 1 . 1 131 131 ILE HD12 H 1 0.82 0.02 . 1 . . . . . 141 ILE MD . 50124 1 1606 . 1 . 1 131 131 ILE HD13 H 1 0.82 0.02 . 1 . . . . . 141 ILE MD . 50124 1 1607 . 1 . 1 131 131 ILE C C 13 176.88 0.05 . 1 . . . . . 141 ILE C . 50124 1 1608 . 1 . 1 131 131 ILE CA C 13 61.49 0.05 . 1 . . . . . 141 ILE CA . 50124 1 1609 . 1 . 1 131 131 ILE CB C 13 37.9 0.05 . 1 . . . . . 141 ILE CB . 50124 1 1610 . 1 . 1 131 131 ILE CG1 C 13 28.68 0.05 . 1 . . . . . 141 ILE CG1 . 50124 1 1611 . 1 . 1 131 131 ILE CG2 C 13 18.21 0.05 . 1 . . . . . 141 ILE CG2 . 50124 1 1612 . 1 . 1 131 131 ILE CD1 C 13 12.58 0.05 . 1 . . . . . 141 ILE CD1 . 50124 1 1613 . 1 . 1 131 131 ILE N N 15 120.5 0.1 . 1 . . . . . 141 ILE N . 50124 1 1614 . 1 . 1 132 132 ILE H H 1 9.32 0.02 . 1 . . . . . 142 ILE H . 50124 1 1615 . 1 . 1 132 132 ILE HA H 1 4.38 0.02 . 1 . . . . . 142 ILE HA . 50124 1 1616 . 1 . 1 132 132 ILE HB H 1 1.84 0.02 . 1 . . . . . 142 ILE HB . 50124 1 1617 . 1 . 1 132 132 ILE HG12 H 1 1.17 0.02 . 2 . . . . . 142 ILE HG12 . 50124 1 1618 . 1 . 1 132 132 ILE HG13 H 1 1.78 0.02 . 2 . . . . . 142 ILE HG13 . 50124 1 1619 . 1 . 1 132 132 ILE HG21 H 1 0.89 0.02 . 1 . . . . . 142 ILE MG . 50124 1 1620 . 1 . 1 132 132 ILE HG22 H 1 0.89 0.02 . 1 . . . . . 142 ILE MG . 50124 1 1621 . 1 . 1 132 132 ILE HG23 H 1 0.89 0.02 . 1 . . . . . 142 ILE MG . 50124 1 1622 . 1 . 1 132 132 ILE HD11 H 1 0.57 0.02 . 1 . . . . . 142 ILE MD . 50124 1 1623 . 1 . 1 132 132 ILE HD12 H 1 0.57 0.02 . 1 . . . . . 142 ILE MD . 50124 1 1624 . 1 . 1 132 132 ILE HD13 H 1 0.57 0.02 . 1 . . . . . 142 ILE MD . 50124 1 1625 . 1 . 1 132 132 ILE C C 13 176.18 0.05 . 1 . . . . . 142 ILE C . 50124 1 1626 . 1 . 1 132 132 ILE CA C 13 59.93 0.05 . 1 . . . . . 142 ILE CA . 50124 1 1627 . 1 . 1 132 132 ILE CB C 13 38.05 0.05 . 1 . . . . . 142 ILE CB . 50124 1 1628 . 1 . 1 132 132 ILE CG1 C 13 27.27 0.05 . 1 . . . . . 142 ILE CG1 . 50124 1 1629 . 1 . 1 132 132 ILE CG2 C 13 18.99 0.05 . 1 . . . . . 142 ILE CG2 . 50124 1 1630 . 1 . 1 132 132 ILE CD1 C 13 9.46 0.05 . 1 . . . . . 142 ILE CD1 . 50124 1 1631 . 1 . 1 132 132 ILE N N 15 129.3 0.1 . 1 . . . . . 142 ILE N . 50124 1 1632 . 1 . 1 133 133 VAL H H 1 7.47 0.02 . 1 . . . . . 143 VAL H . 50124 1 1633 . 1 . 1 133 133 VAL HA H 1 4.46 0.02 . 1 . . . . . 143 VAL HA . 50124 1 1634 . 1 . 1 133 133 VAL HB H 1 1.89 0.02 . 1 . . . . . 143 VAL HB . 50124 1 1635 . 1 . 1 133 133 VAL HG11 H 1 1.28 0.02 . 2 . . . . . 143 VAL MG1 . 50124 1 1636 . 1 . 1 133 133 VAL HG12 H 1 1.28 0.02 . 2 . . . . . 143 VAL MG1 . 50124 1 1637 . 1 . 1 133 133 VAL HG13 H 1 1.28 0.02 . 2 . . . . . 143 VAL MG1 . 50124 1 1638 . 1 . 1 133 133 VAL HG21 H 1 1.09 0.02 . 2 . . . . . 143 VAL MG2 . 50124 1 1639 . 1 . 1 133 133 VAL HG22 H 1 1.09 0.02 . 2 . . . . . 143 VAL MG2 . 50124 1 1640 . 1 . 1 133 133 VAL HG23 H 1 1.09 0.02 . 2 . . . . . 143 VAL MG2 . 50124 1 1641 . 1 . 1 133 133 VAL C C 13 173.48 0.05 . 1 . . . . . 143 VAL C . 50124 1 1642 . 1 . 1 133 133 VAL CA C 13 61.96 0.05 . 1 . . . . . 143 VAL CA . 50124 1 1643 . 1 . 1 133 133 VAL CB C 13 36.96 0.05 . 1 . . . . . 143 VAL CB . 50124 1 1644 . 1 . 1 133 133 VAL CG1 C 13 23.21 0.05 . 2 . . . . . 143 VAL CG1 . 50124 1 1645 . 1 . 1 133 133 VAL CG2 C 13 22.74 0.05 . 2 . . . . . 143 VAL CG2 . 50124 1 1646 . 1 . 1 133 133 VAL N N 15 117.4 0.1 . 1 . . . . . 143 VAL N . 50124 1 1647 . 1 . 1 134 134 TYR H H 1 9.18 0.02 . 1 . . . . . 144 TYR H . 50124 1 1648 . 1 . 1 134 134 TYR HA H 1 5.18 0.02 . 1 . . . . . 144 TYR HA . 50124 1 1649 . 1 . 1 134 134 TYR HB2 H 1 2.94 0.02 . 2 . . . . . 144 TYR HB2 . 50124 1 1650 . 1 . 1 134 134 TYR HB3 H 1 2.86 0.02 . 2 . . . . . 144 TYR HB3 . 50124 1 1651 . 1 . 1 134 134 TYR HD1 H 1 7.2 0.02 . 3 . . . . . 144 TYR HD1 . 50124 1 1652 . 1 . 1 134 134 TYR HD2 H 1 7.2 0.02 . 3 . . . . . 144 TYR HD2 . 50124 1 1653 . 1 . 1 134 134 TYR HE1 H 1 6.72 0.02 . 3 . . . . . 144 TYR HE1 . 50124 1 1654 . 1 . 1 134 134 TYR HE2 H 1 6.72 0.02 . 3 . . . . . 144 TYR HE2 . 50124 1 1655 . 1 . 1 134 134 TYR C C 13 175.45 0.05 . 1 . . . . . 144 TYR C . 50124 1 1656 . 1 . 1 134 134 TYR CA C 13 55.71 0.05 . 1 . . . . . 144 TYR CA . 50124 1 1657 . 1 . 1 134 134 TYR CB C 13 40.4 0.05 . 1 . . . . . 144 TYR CB . 50124 1 1658 . 1 . 1 134 134 TYR CD1 C 13 134.01 0.05 . 3 . . . . . 144 TYR CD1 . 50124 1 1659 . 1 . 1 134 134 TYR CD2 C 13 134.01 0.05 . 3 . . . . . 144 TYR CD2 . 50124 1 1660 . 1 . 1 134 134 TYR CE1 C 13 117.8 0.05 . 3 . . . . . 144 TYR CE1 . 50124 1 1661 . 1 . 1 134 134 TYR CE2 C 13 117.8 0.05 . 3 . . . . . 144 TYR CE2 . 50124 1 1662 . 1 . 1 134 134 TYR N N 15 126.8 0.1 . 1 . . . . . 144 TYR N . 50124 1 1663 . 1 . 1 135 135 ASN H H 1 8.78 0.02 . 1 . . . . . 145 ASN H . 50124 1 1664 . 1 . 1 135 135 ASN HA H 1 4.1 0.02 . 1 . . . . . 145 ASN HA . 50124 1 1665 . 1 . 1 135 135 ASN HB2 H 1 2.71 0.02 . 2 . . . . . 145 ASN HB2 . 50124 1 1666 . 1 . 1 135 135 ASN HB3 H 1 1.09 0.02 . 2 . . . . . 145 ASN HB3 . 50124 1 1667 . 1 . 1 135 135 ASN HD21 H 1 7.11 0.02 . 1 . . . . . 145 ASN HD21 . 50124 1 1668 . 1 . 1 135 135 ASN HD22 H 1 6.72 0.02 . 1 . . . . . 145 ASN HD22 . 50124 1 1669 . 1 . 1 135 135 ASN C C 13 172.5 0.05 . 1 . . . . . 145 ASN C . 50124 1 1670 . 1 . 1 135 135 ASN CA C 13 54.15 0.05 . 1 . . . . . 145 ASN CA . 50124 1 1671 . 1 . 1 135 135 ASN CB C 13 38.68 0.05 . 1 . . . . . 145 ASN CB . 50124 1 1672 . 1 . 1 135 135 ASN N N 15 124.1 0.1 . 1 . . . . . 145 ASN N . 50124 1 1673 . 1 . 1 135 135 ASN ND2 N 15 109.8 0.1 . 1 . . . . . 145 ASN ND2 . 50124 1 1674 . 1 . 1 136 136 GLU H H 1 6.55 0.02 . 1 . . . . . 146 GLU H . 50124 1 1675 . 1 . 1 136 136 GLU HA H 1 4.51 0.02 . 1 . . . . . 146 GLU HA . 50124 1 1676 . 1 . 1 136 136 GLU HB2 H 1 1.9 0.02 . 2 . . . . . 146 GLU HB2 . 50124 1 1677 . 1 . 1 136 136 GLU HB3 H 1 1.82 0.02 . 2 . . . . . 146 GLU HB3 . 50124 1 1678 . 1 . 1 136 136 GLU HG2 H 1 2.1 0.02 . 2 . . . . . 146 GLU HG2 . 50124 1 1679 . 1 . 1 136 136 GLU HG3 H 1 2.1 0.02 . 2 . . . . . 146 GLU HG3 . 50124 1 1680 . 1 . 1 136 136 GLU C C 13 174.35 0.05 . 1 . . . . . 146 GLU C . 50124 1 1681 . 1 . 1 136 136 GLU CA C 13 54.77 0.05 . 1 . . . . . 146 GLU CA . 50124 1 1682 . 1 . 1 136 136 GLU CB C 13 33.83 0.05 . 1 . . . . . 146 GLU CB . 50124 1 1683 . 1 . 1 136 136 GLU CG C 13 36.02 0.05 . 1 . . . . . 146 GLU CG . 50124 1 1684 . 1 . 1 136 136 GLU N N 15 110.2 0.1 . 1 . . . . . 146 GLU N . 50124 1 1685 . 1 . 1 137 137 THR H H 1 8.88 0.02 . 1 . . . . . 147 THR H . 50124 1 1686 . 1 . 1 137 137 THR HA H 1 4.28 0.02 . 1 . . . . . 147 THR HA . 50124 1 1687 . 1 . 1 137 137 THR HB H 1 3.94 0.02 . 1 . . . . . 147 THR HB . 50124 1 1688 . 1 . 1 137 137 THR HG21 H 1 1.05 0.02 . 1 . . . . . 147 THR MG . 50124 1 1689 . 1 . 1 137 137 THR HG22 H 1 1.05 0.02 . 1 . . . . . 147 THR MG . 50124 1 1690 . 1 . 1 137 137 THR HG23 H 1 1.05 0.02 . 1 . . . . . 147 THR MG . 50124 1 1691 . 1 . 1 137 137 THR C C 13 173.86 0.05 . 1 . . . . . 147 THR C . 50124 1 1692 . 1 . 1 137 137 THR CA C 13 62.12 0.05 . 1 . . . . . 147 THR CA . 50124 1 1693 . 1 . 1 137 137 THR CB C 13 68.37 0.05 . 1 . . . . . 147 THR CB . 50124 1 1694 . 1 . 1 137 137 THR CG2 C 13 22.14 0.05 . 1 . . . . . 147 THR CG2 . 50124 1 1695 . 1 . 1 137 137 THR N N 15 121.3 0.1 . 1 . . . . . 147 THR N . 50124 1 1696 . 1 . 1 138 138 LYS H H 1 9.12 0.02 . 1 . . . . . 148 LYS H . 50124 1 1697 . 1 . 1 138 138 LYS HA H 1 4.5 0.02 . 1 . . . . . 148 LYS HA . 50124 1 1698 . 1 . 1 138 138 LYS HB2 H 1 1.49 0.02 . 2 . . . . . 148 LYS HB2 . 50124 1 1699 . 1 . 1 138 138 LYS HB3 H 1 1.94 0.02 . 2 . . . . . 148 LYS HB3 . 50124 1 1700 . 1 . 1 138 138 LYS HG2 H 1 1.38 0.02 . 2 . . . . . 148 LYS HG2 . 50124 1 1701 . 1 . 1 138 138 LYS HG3 H 1 1.22 0.02 . 2 . . . . . 148 LYS HG3 . 50124 1 1702 . 1 . 1 138 138 LYS HD2 H 1 1.47 0.02 . 2 . . . . . 148 LYS HD2 . 50124 1 1703 . 1 . 1 138 138 LYS HD3 H 1 1.47 0.02 . 2 . . . . . 148 LYS HD3 . 50124 1 1704 . 1 . 1 138 138 LYS HE2 H 1 2.18 0.02 . 2 . . . . . 148 LYS HE2 . 50124 1 1705 . 1 . 1 138 138 LYS HE3 H 1 2.46 0.02 . 2 . . . . . 148 LYS HE3 . 50124 1 1706 . 1 . 1 138 138 LYS CA C 13 54.62 0.05 . 1 . . . . . 148 LYS CA . 50124 1 1707 . 1 . 1 138 138 LYS CB C 13 34.46 0.05 . 1 . . . . . 148 LYS CB . 50124 1 1708 . 1 . 1 138 138 LYS CG C 13 25.08 0.05 . 1 . . . . . 148 LYS CG . 50124 1 1709 . 1 . 1 138 138 LYS CD C 13 29.93 0.05 . 1 . . . . . 148 LYS CD . 50124 1 1710 . 1 . 1 138 138 LYS CE C 13 41.33 0.05 . 1 . . . . . 148 LYS CE . 50124 1 1711 . 1 . 1 138 138 LYS N N 15 131.6 0.1 . 1 . . . . . 148 LYS N . 50124 1 1712 . 1 . 1 139 139 PRO HA H 1 4.41 0.02 . 1 . . . . . 149 PRO HA . 50124 1 1713 . 1 . 1 139 139 PRO C C 13 175.62 0.05 . 1 . . . . . 149 PRO C . 50124 1 1714 . 1 . 1 139 139 PRO CA C 13 64.27 0.05 . 1 . . . . . 149 PRO CA . 50124 1 1715 . 1 . 1 139 139 PRO CB C 13 31.78 0.05 . 1 . . . . . 149 PRO CB . 50124 1 1716 . 1 . 1 140 140 VAL H H 1 8 0.02 . 1 . . . . . 150 VAL H . 50124 1 1717 . 1 . 1 140 140 VAL HA H 1 5.14 0.02 . 1 . . . . . 150 VAL HA . 50124 1 1718 . 1 . 1 140 140 VAL HB H 1 1.97 0.02 . 1 . . . . . 150 VAL HB . 50124 1 1719 . 1 . 1 140 140 VAL HG11 H 1 0.11 0.02 . 2 . . . . . 150 VAL MG1 . 50124 1 1720 . 1 . 1 140 140 VAL HG12 H 1 0.11 0.02 . 2 . . . . . 150 VAL MG1 . 50124 1 1721 . 1 . 1 140 140 VAL HG13 H 1 0.11 0.02 . 2 . . . . . 150 VAL MG1 . 50124 1 1722 . 1 . 1 140 140 VAL HG21 H 1 0.54 0.02 . 2 . . . . . 150 VAL MG2 . 50124 1 1723 . 1 . 1 140 140 VAL HG22 H 1 0.54 0.02 . 2 . . . . . 150 VAL MG2 . 50124 1 1724 . 1 . 1 140 140 VAL HG23 H 1 0.54 0.02 . 2 . . . . . 150 VAL MG2 . 50124 1 1725 . 1 . 1 140 140 VAL C C 13 170.79 0.05 . 1 . . . . . 150 VAL C . 50124 1 1726 . 1 . 1 140 140 VAL CA C 13 59.46 0.05 . 1 . . . . . 150 VAL CA . 50124 1 1727 . 1 . 1 140 140 VAL CB C 13 36.02 0.05 . 1 . . . . . 150 VAL CB . 50124 1 1728 . 1 . 1 140 140 VAL CG1 C 13 20.55 0.05 . 2 . . . . . 150 VAL CG1 . 50124 1 1729 . 1 . 1 140 140 VAL CG2 C 13 22.9 0.05 . 2 . . . . . 150 VAL CG2 . 50124 1 1730 . 1 . 1 140 140 VAL N N 15 121.8 0.1 . 1 . . . . . 150 VAL N . 50124 1 1731 . 1 . 1 141 141 ALA H H 1 8.4 0.02 . 1 . . . . . 151 ALA H . 50124 1 1732 . 1 . 1 141 141 ALA HA H 1 4.99 0.02 . 1 . . . . . 151 ALA HA . 50124 1 1733 . 1 . 1 141 141 ALA HB1 H 1 1.14 0.02 . 1 . . . . . 151 ALA MB . 50124 1 1734 . 1 . 1 141 141 ALA HB2 H 1 1.14 0.02 . 1 . . . . . 151 ALA MB . 50124 1 1735 . 1 . 1 141 141 ALA HB3 H 1 1.14 0.02 . 1 . . . . . 151 ALA MB . 50124 1 1736 . 1 . 1 141 141 ALA C C 13 175.41 0.05 . 1 . . . . . 151 ALA C . 50124 1 1737 . 1 . 1 141 141 ALA CA C 13 50.08 0.05 . 1 . . . . . 151 ALA CA . 50124 1 1738 . 1 . 1 141 141 ALA CB C 13 23.21 0.05 . 1 . . . . . 151 ALA CB . 50124 1 1739 . 1 . 1 141 141 ALA N N 15 125.1 0.1 . 1 . . . . . 151 ALA N . 50124 1 1740 . 1 . 1 142 142 ILE H H 1 9.66 0.02 . 1 . . . . . 152 ILE H . 50124 1 1741 . 1 . 1 142 142 ILE HA H 1 4.68 0.02 . 1 . . . . . 152 ILE HA . 50124 1 1742 . 1 . 1 142 142 ILE HB H 1 2.65 0.02 . 1 . . . . . 152 ILE HB . 50124 1 1743 . 1 . 1 142 142 ILE HG12 H 1 0.76 0.02 . 2 . . . . . 152 ILE HG12 . 50124 1 1744 . 1 . 1 142 142 ILE HG13 H 1 1.42 0.02 . 2 . . . . . 152 ILE HG13 . 50124 1 1745 . 1 . 1 142 142 ILE HG21 H 1 0.89 0.02 . 1 . . . . . 152 ILE MG . 50124 1 1746 . 1 . 1 142 142 ILE HG22 H 1 0.89 0.02 . 1 . . . . . 152 ILE MG . 50124 1 1747 . 1 . 1 142 142 ILE HG23 H 1 0.89 0.02 . 1 . . . . . 152 ILE MG . 50124 1 1748 . 1 . 1 142 142 ILE HD11 H 1 0.77 0.02 . 1 . . . . . 152 ILE MD . 50124 1 1749 . 1 . 1 142 142 ILE HD12 H 1 0.77 0.02 . 1 . . . . . 152 ILE MD . 50124 1 1750 . 1 . 1 142 142 ILE HD13 H 1 0.77 0.02 . 1 . . . . . 152 ILE MD . 50124 1 1751 . 1 . 1 142 142 ILE C C 13 174.77 0.05 . 1 . . . . . 152 ILE C . 50124 1 1752 . 1 . 1 142 142 ILE CA C 13 61.02 0.05 . 1 . . . . . 152 ILE CA . 50124 1 1753 . 1 . 1 142 142 ILE CB C 13 38.99 0.05 . 1 . . . . . 152 ILE CB . 50124 1 1754 . 1 . 1 142 142 ILE CG1 C 13 27.43 0.05 . 1 . . . . . 152 ILE CG1 . 50124 1 1755 . 1 . 1 142 142 ILE CG2 C 13 18.05 0.05 . 1 . . . . . 152 ILE CG2 . 50124 1 1756 . 1 . 1 142 142 ILE CD1 C 13 14.46 0.05 . 1 . . . . . 152 ILE CD1 . 50124 1 1757 . 1 . 1 142 142 ILE N N 15 121.8 0.1 . 1 . . . . . 152 ILE N . 50124 1 1758 . 1 . 1 143 143 LEU H H 1 8.83 0.02 . 1 . . . . . 153 LEU H . 50124 1 1759 . 1 . 1 143 143 LEU HA H 1 4.94 0.02 . 1 . . . . . 153 LEU HA . 50124 1 1760 . 1 . 1 143 143 LEU HB2 H 1 0.82 0.02 . 2 . . . . . 153 LEU HB2 . 50124 1 1761 . 1 . 1 143 143 LEU HB3 H 1 1.82 0.02 . 2 . . . . . 153 LEU HB3 . 50124 1 1762 . 1 . 1 143 143 LEU HG H 1 1.57 0.02 . 1 . . . . . 153 LEU HG . 50124 1 1763 . 1 . 1 143 143 LEU HD11 H 1 0.68 0.02 . 2 . . . . . 153 LEU MD1 . 50124 1 1764 . 1 . 1 143 143 LEU HD12 H 1 0.68 0.02 . 2 . . . . . 153 LEU MD1 . 50124 1 1765 . 1 . 1 143 143 LEU HD13 H 1 0.68 0.02 . 2 . . . . . 153 LEU MD1 . 50124 1 1766 . 1 . 1 143 143 LEU HD21 H 1 0.72 0.02 . 2 . . . . . 153 LEU MD2 . 50124 1 1767 . 1 . 1 143 143 LEU HD22 H 1 0.72 0.02 . 2 . . . . . 153 LEU MD2 . 50124 1 1768 . 1 . 1 143 143 LEU HD23 H 1 0.72 0.02 . 2 . . . . . 153 LEU MD2 . 50124 1 1769 . 1 . 1 143 143 LEU C C 13 174.35 0.05 . 1 . . . . . 153 LEU C . 50124 1 1770 . 1 . 1 143 143 LEU CA C 13 52.27 0.05 . 1 . . . . . 153 LEU CA . 50124 1 1771 . 1 . 1 143 143 LEU CB C 13 43.68 0.05 . 1 . . . . . 153 LEU CB . 50124 1 1772 . 1 . 1 143 143 LEU CG C 13 26.49 0.05 . 1 . . . . . 153 LEU CG . 50124 1 1773 . 1 . 1 143 143 LEU CD1 C 13 22.11 0.05 . 2 . . . . . 153 LEU CD1 . 50124 1 1774 . 1 . 1 143 143 LEU CD2 C 13 25.55 0.05 . 2 . . . . . 153 LEU CD2 . 50124 1 1775 . 1 . 1 143 143 LEU N N 15 123.6 0.1 . 1 . . . . . 153 LEU N . 50124 1 1776 . 1 . 1 144 144 ASN H H 1 9.13 0.02 . 1 . . . . . 154 ASN H . 50124 1 1777 . 1 . 1 144 144 ASN HA H 1 5.14 0.02 . 1 . . . . . 154 ASN HA . 50124 1 1778 . 1 . 1 144 144 ASN HB2 H 1 2.76 0.02 . 2 . . . . . 154 ASN HB2 . 50124 1 1779 . 1 . 1 144 144 ASN HB3 H 1 2.58 0.02 . 2 . . . . . 154 ASN HB3 . 50124 1 1780 . 1 . 1 144 144 ASN HD21 H 1 6.31 0.02 . 2 . . . . . 154 ASN HD21 . 50124 1 1781 . 1 . 1 144 144 ASN HD22 H 1 6.31 0.02 . 2 . . . . . 154 ASN HD22 . 50124 1 1782 . 1 . 1 144 144 ASN C C 13 174.38 0.05 . 1 . . . . . 154 ASN C . 50124 1 1783 . 1 . 1 144 144 ASN CA C 13 53.52 0.05 . 1 . . . . . 154 ASN CA . 50124 1 1784 . 1 . 1 144 144 ASN CB C 13 42.27 0.05 . 1 . . . . . 154 ASN CB . 50124 1 1785 . 1 . 1 144 144 ASN N N 15 121.5 0.1 . 1 . . . . . 154 ASN N . 50124 1 1786 . 1 . 1 144 144 ASN ND2 N 15 110.6 0.1 . 1 . . . . . 154 ASN ND2 . 50124 1 1787 . 1 . 1 145 145 PHE H H 1 8.8 0.02 . 1 . . . . . 155 PHE H . 50124 1 1788 . 1 . 1 145 145 PHE HA H 1 5.3 0.02 . 1 . . . . . 155 PHE HA . 50124 1 1789 . 1 . 1 145 145 PHE HB2 H 1 2.39 0.02 . 2 . . . . . 155 PHE HB2 . 50124 1 1790 . 1 . 1 145 145 PHE HB3 H 1 2.85 0.02 . 2 . . . . . 155 PHE HB3 . 50124 1 1791 . 1 . 1 145 145 PHE HD1 H 1 6.87 0.02 . 3 . . . . . 155 PHE HD1 . 50124 1 1792 . 1 . 1 145 145 PHE HD2 H 1 6.87 0.02 . 3 . . . . . 155 PHE HD2 . 50124 1 1793 . 1 . 1 145 145 PHE HE1 H 1 6.46 0.02 . 3 . . . . . 155 PHE HE1 . 50124 1 1794 . 1 . 1 145 145 PHE HE2 H 1 6.46 0.02 . 3 . . . . . 155 PHE HE2 . 50124 1 1795 . 1 . 1 145 145 PHE HZ H 1 6.67 0.02 . 1 . . . . . 155 PHE HZ . 50124 1 1796 . 1 . 1 145 145 PHE C C 13 174.12 0.05 . 1 . . . . . 155 PHE C . 50124 1 1797 . 1 . 1 145 145 PHE CA C 13 56.96 0.05 . 1 . . . . . 155 PHE CA . 50124 1 1798 . 1 . 1 145 145 PHE CB C 13 41.65 0.05 . 1 . . . . . 155 PHE CB . 50124 1 1799 . 1 . 1 145 145 PHE CD1 C 13 132.37 0.05 . 3 . . . . . 155 PHE CD1 . 50124 1 1800 . 1 . 1 145 145 PHE CD2 C 13 132.37 0.05 . 3 . . . . . 155 PHE CD2 . 50124 1 1801 . 1 . 1 145 145 PHE CE1 C 13 130.78 0.05 . 3 . . . . . 155 PHE CE1 . 50124 1 1802 . 1 . 1 145 145 PHE CE2 C 13 130.78 0.05 . 3 . . . . . 155 PHE CE2 . 50124 1 1803 . 1 . 1 145 145 PHE CZ C 13 127.20 0.05 . 1 . . . . . 155 PHE CZ . 50124 1 1804 . 1 . 1 145 145 PHE N N 15 122 0.1 . 1 . . . . . 155 PHE N . 50124 1 1805 . 1 . 1 146 146 LYS H H 1 8.57 0.02 . 1 . . . . . 156 LYS H . 50124 1 1806 . 1 . 1 146 146 LYS HA H 1 5.03 0.02 . 1 . . . . . 156 LYS HA . 50124 1 1807 . 1 . 1 146 146 LYS HB2 H 1 1.78 0.02 . 2 . . . . . 156 LYS HB2 . 50124 1 1808 . 1 . 1 146 146 LYS HB3 H 1 1.72 0.02 . 2 . . . . . 156 LYS HB3 . 50124 1 1809 . 1 . 1 146 146 LYS HG2 H 1 1.22 0.02 . 2 . . . . . 156 LYS HG2 . 50124 1 1810 . 1 . 1 146 146 LYS HG3 H 1 0.97 0.02 . 2 . . . . . 156 LYS HG3 . 50124 1 1811 . 1 . 1 146 146 LYS HD2 H 1 1.6 0.02 . 2 . . . . . 156 LYS HD2 . 50124 1 1812 . 1 . 1 146 146 LYS HD3 H 1 1.6 0.02 . 2 . . . . . 156 LYS HD3 . 50124 1 1813 . 1 . 1 146 146 LYS HE2 H 1 2.82 0.02 . 2 . . . . . 156 LYS HE2 . 50124 1 1814 . 1 . 1 146 146 LYS HE3 H 1 2.82 0.02 . 2 . . . . . 156 LYS HE3 . 50124 1 1815 . 1 . 1 146 146 LYS C C 13 173.67 0.05 . 1 . . . . . 156 LYS C . 50124 1 1816 . 1 . 1 146 146 LYS CA C 13 55.24 0.05 . 1 . . . . . 156 LYS CA . 50124 1 1817 . 1 . 1 146 146 LYS CB C 13 36.65 0.05 . 1 . . . . . 156 LYS CB . 50124 1 1818 . 1 . 1 146 146 LYS CG C 13 24.93 0.05 . 1 . . . . . 156 LYS CG . 50124 1 1819 . 1 . 1 146 146 LYS CD C 13 29.3 0.05 . 1 . . . . . 156 LYS CD . 50124 1 1820 . 1 . 1 146 146 LYS CE C 13 41.65 0.05 . 1 . . . . . 156 LYS CE . 50124 1 1821 . 1 . 1 146 146 LYS N N 15 125.5 0.1 . 1 . . . . . 156 LYS N . 50124 1 1822 . 1 . 1 147 147 ALA H H 1 9.2 0.02 . 1 . . . . . 157 ALA H . 50124 1 1823 . 1 . 1 147 147 ALA HA H 1 5.43 0.02 . 1 . . . . . 157 ALA HA . 50124 1 1824 . 1 . 1 147 147 ALA HB1 H 1 1.3 0.02 . 1 . . . . . 157 ALA MB . 50124 1 1825 . 1 . 1 147 147 ALA HB2 H 1 1.3 0.02 . 1 . . . . . 157 ALA MB . 50124 1 1826 . 1 . 1 147 147 ALA HB3 H 1 1.3 0.02 . 1 . . . . . 157 ALA MB . 50124 1 1827 . 1 . 1 147 147 ALA C C 13 175.1 0.05 . 1 . . . . . 157 ALA C . 50124 1 1828 . 1 . 1 147 147 ALA CA C 13 50.24 0.05 . 1 . . . . . 157 ALA CA . 50124 1 1829 . 1 . 1 147 147 ALA CB C 13 22.11 0.05 . 1 . . . . . 157 ALA CB . 50124 1 1830 . 1 . 1 147 147 ALA N N 15 127.5 0.1 . 1 . . . . . 157 ALA N . 50124 1 1831 . 1 . 1 148 148 PHE H H 1 9.45 0.02 . 1 . . . . . 158 PHE H . 50124 1 1832 . 1 . 1 148 148 PHE HA H 1 5.12 0.02 . 1 . . . . . 158 PHE HA . 50124 1 1833 . 1 . 1 148 148 PHE HB2 H 1 3.32 0.02 . 2 . . . . . 158 PHE HB2 . 50124 1 1834 . 1 . 1 148 148 PHE HB3 H 1 3.12 0.02 . 2 . . . . . 158 PHE HB3 . 50124 1 1835 . 1 . 1 148 148 PHE HD1 H 1 7.31 0.02 . 3 . . . . . 158 PHE HD1 . 50124 1 1836 . 1 . 1 148 148 PHE HD2 H 1 7.31 0.02 . 3 . . . . . 158 PHE HD2 . 50124 1 1837 . 1 . 1 148 148 PHE HE1 H 1 7.23 0.02 . 3 . . . . . 158 PHE HE1 . 50124 1 1838 . 1 . 1 148 148 PHE HE2 H 1 7.23 0.02 . 3 . . . . . 158 PHE HE2 . 50124 1 1839 . 1 . 1 148 148 PHE HZ H 1 7.2 0.02 . 1 . . . . . 158 PHE HZ . 50124 1 1840 . 1 . 1 148 148 PHE C C 13 174.84 0.05 . 1 . . . . . 158 PHE C . 50124 1 1841 . 1 . 1 148 148 PHE CA C 13 56.65 0.05 . 1 . . . . . 158 PHE CA . 50124 1 1842 . 1 . 1 148 148 PHE CB C 13 41.18 0.05 . 1 . . . . . 158 PHE CB . 50124 1 1843 . 1 . 1 148 148 PHE CD1 C 13 132.38 0.05 . 3 . . . . . 158 PHE CD1 . 50124 1 1844 . 1 . 1 148 148 PHE CD2 C 13 132.38 0.05 . 3 . . . . . 158 PHE CD2 . 50124 1 1845 . 1 . 1 148 148 PHE CE1 C 13 131.47 0.05 . 3 . . . . . 158 PHE CE1 . 50124 1 1846 . 1 . 1 148 148 PHE CE2 C 13 131.47 0.05 . 3 . . . . . 158 PHE CE2 . 50124 1 1847 . 1 . 1 148 148 PHE CZ C 13 129 0.05 . 1 . . . . . 158 PHE CZ . 50124 1 1848 . 1 . 1 148 148 PHE N N 15 121.1 0.1 . 1 . . . . . 158 PHE N . 50124 1 1849 . 1 . 1 149 149 TYR H H 1 8.16 0.02 . 1 . . . . . 159 TYR H . 50124 1 1850 . 1 . 1 149 149 TYR HA H 1 4.92 0.02 . 1 . . . . . 159 TYR HA . 50124 1 1851 . 1 . 1 149 149 TYR HB2 H 1 2.98 0.02 . 2 . . . . . 159 TYR HB2 . 50124 1 1852 . 1 . 1 149 149 TYR HB3 H 1 2.74 0.02 . 2 . . . . . 159 TYR HB3 . 50124 1 1853 . 1 . 1 149 149 TYR HD1 H 1 6.61 0.02 . 3 . . . . . 159 TYR HD1 . 50124 1 1854 . 1 . 1 149 149 TYR HD2 H 1 6.61 0.02 . 3 . . . . . 159 TYR HD2 . 50124 1 1855 . 1 . 1 149 149 TYR HE1 H 1 6.7 0.02 . 3 . . . . . 159 TYR HE1 . 50124 1 1856 . 1 . 1 149 149 TYR HE2 H 1 6.7 0.02 . 3 . . . . . 159 TYR HE2 . 50124 1 1857 . 1 . 1 149 149 TYR C C 13 173.62 0.05 . 1 . . . . . 159 TYR C . 50124 1 1858 . 1 . 1 149 149 TYR CA C 13 56.18 0.05 . 1 . . . . . 159 TYR CA . 50124 1 1859 . 1 . 1 149 149 TYR CB C 13 42.43 0.05 . 1 . . . . . 159 TYR CB . 50124 1 1860 . 1 . 1 149 149 TYR CD1 C 13 133.31 0.05 . 3 . . . . . 159 TYR CD1 . 50124 1 1861 . 1 . 1 149 149 TYR CD2 C 13 133.31 0.05 . 3 . . . . . 159 TYR CD2 . 50124 1 1862 . 1 . 1 149 149 TYR CE1 C 13 117.8 0.05 . 3 . . . . . 159 TYR CE1 . 50124 1 1863 . 1 . 1 149 149 TYR CE2 C 13 117.8 0.05 . 3 . . . . . 159 TYR CE2 . 50124 1 1864 . 1 . 1 149 149 TYR N N 15 118.3 0.1 . 1 . . . . . 159 TYR N . 50124 1 1865 . 1 . 1 150 150 GLU H H 1 7.14 0.02 . 1 . . . . . 160 GLU H . 50124 1 1866 . 1 . 1 150 150 GLU HA H 1 4.83 0.02 . 1 . . . . . 160 GLU HA . 50124 1 1867 . 1 . 1 150 150 GLU HB2 H 1 1.75 0.02 . 2 . . . . . 160 GLU HB2 . 50124 1 1868 . 1 . 1 150 150 GLU HB3 H 1 1.94 0.02 . 2 . . . . . 160 GLU HB3 . 50124 1 1869 . 1 . 1 150 150 GLU HG2 H 1 2.24 0.02 . 2 . . . . . 160 GLU HG2 . 50124 1 1870 . 1 . 1 150 150 GLU HG3 H 1 2.27 0.02 . 2 . . . . . 160 GLU HG3 . 50124 1 1871 . 1 . 1 150 150 GLU C C 13 175.99 0.05 . 1 . . . . . 160 GLU C . 50124 1 1872 . 1 . 1 150 150 GLU CA C 13 56.18 0.05 . 1 . . . . . 160 GLU CA . 50124 1 1873 . 1 . 1 150 150 GLU CB C 13 33.36 0.05 . 1 . . . . . 160 GLU CB . 50124 1 1874 . 1 . 1 150 150 GLU CG C 13 36.49 0.05 . 1 . . . . . 160 GLU CG . 50124 1 1875 . 1 . 1 150 150 GLU N N 15 116 0.1 . 1 . . . . . 160 GLU N . 50124 1 1876 . 1 . 1 151 151 ALA H H 1 9.48 0.02 . 1 . . . . . 161 ALA H . 50124 1 1877 . 1 . 1 151 151 ALA HA H 1 4.81 0.02 . 1 . . . . . 161 ALA HA . 50124 1 1878 . 1 . 1 151 151 ALA HB1 H 1 1.6 0.02 . 1 . . . . . 161 ALA MB . 50124 1 1879 . 1 . 1 151 151 ALA HB2 H 1 1.6 0.02 . 1 . . . . . 161 ALA MB . 50124 1 1880 . 1 . 1 151 151 ALA HB3 H 1 1.6 0.02 . 1 . . . . . 161 ALA MB . 50124 1 1881 . 1 . 1 151 151 ALA C C 13 176.91 0.05 . 1 . . . . . 161 ALA C . 50124 1 1882 . 1 . 1 151 151 ALA CA C 13 52.12 0.05 . 1 . . . . . 161 ALA CA . 50124 1 1883 . 1 . 1 151 151 ALA CB C 13 20.08 0.05 . 1 . . . . . 161 ALA CB . 50124 1 1884 . 1 . 1 151 151 ALA N N 15 131.7 0.1 . 1 . . . . . 161 ALA N . 50124 1 1885 . 1 . 1 152 152 LYS H H 1 8.08 0.02 . 1 . . . . . 162 LYS H . 50124 1 1886 . 1 . 1 152 152 LYS HA H 1 4.07 0.02 . 1 . . . . . 162 LYS HA . 50124 1 1887 . 1 . 1 152 152 LYS HB2 H 1 1.37 0.02 . 2 . . . . . 162 LYS HB2 . 50124 1 1888 . 1 . 1 152 152 LYS HB3 H 1 1.76 0.02 . 2 . . . . . 162 LYS HB3 . 50124 1 1889 . 1 . 1 152 152 LYS HG2 H 1 1.24 0.02 . 2 . . . . . 162 LYS HG2 . 50124 1 1890 . 1 . 1 152 152 LYS HG3 H 1 1.3 0.02 . 2 . . . . . 162 LYS HG3 . 50124 1 1891 . 1 . 1 152 152 LYS HD2 H 1 1.59 0.02 . 2 . . . . . 162 LYS HD2 . 50124 1 1892 . 1 . 1 152 152 LYS HD3 H 1 1.57 0.02 . 2 . . . . . 162 LYS HD3 . 50124 1 1893 . 1 . 1 152 152 LYS HE2 H 1 2.84 0.02 . 2 . . . . . 162 LYS HE2 . 50124 1 1894 . 1 . 1 152 152 LYS HE3 H 1 2.89 0.02 . 2 . . . . . 162 LYS HE3 . 50124 1 1895 . 1 . 1 152 152 LYS C C 13 176.23 0.05 . 1 . . . . . 162 LYS C . 50124 1 1896 . 1 . 1 152 152 LYS CA C 13 56.8 0.05 . 1 . . . . . 162 LYS CA . 50124 1 1897 . 1 . 1 152 152 LYS CB C 13 33.36 0.05 . 1 . . . . . 162 LYS CB . 50124 1 1898 . 1 . 1 152 152 LYS CG C 13 26.33 0.05 . 1 . . . . . 162 LYS CG . 50124 1 1899 . 1 . 1 152 152 LYS CD C 13 29.15 0.05 . 1 . . . . . 162 LYS CD . 50124 1 1900 . 1 . 1 152 152 LYS CE C 13 42.12 0.05 . 1 . . . . . 162 LYS CE . 50124 1 1901 . 1 . 1 152 152 LYS N N 15 120.8 0.1 . 1 . . . . . 162 LYS N . 50124 1 1902 . 1 . 1 153 153 GLU H H 1 8.69 0.02 . 1 . . . . . 163 GLU H . 50124 1 1903 . 1 . 1 153 153 GLU HA H 1 4.13 0.02 . 1 . . . . . 163 GLU HA . 50124 1 1904 . 1 . 1 153 153 GLU HB2 H 1 2.01 0.02 . 2 . . . . . 163 GLU HB2 . 50124 1 1905 . 1 . 1 153 153 GLU HB3 H 1 2.01 0.02 . 2 . . . . . 163 GLU HB3 . 50124 1 1906 . 1 . 1 153 153 GLU HG2 H 1 2.33 0.02 . 2 . . . . . 163 GLU HG2 . 50124 1 1907 . 1 . 1 153 153 GLU HG3 H 1 2.33 0.02 . 2 . . . . . 163 GLU HG3 . 50124 1 1908 . 1 . 1 153 153 GLU C C 13 177.47 0.05 . 1 . . . . . 163 GLU C . 50124 1 1909 . 1 . 1 153 153 GLU CA C 13 57.74 0.05 . 1 . . . . . 163 GLU CA . 50124 1 1910 . 1 . 1 153 153 GLU CB C 13 29.77 0.05 . 1 . . . . . 163 GLU CB . 50124 1 1911 . 1 . 1 153 153 GLU CG C 13 36.02 0.05 . 1 . . . . . 163 GLU CG . 50124 1 1912 . 1 . 1 153 153 GLU N N 15 123.1 0.1 . 1 . . . . . 163 GLU N . 50124 1 1913 . 1 . 1 154 154 GLY H H 1 8.62 0.02 . 1 . . . . . 164 GLY H . 50124 1 1914 . 1 . 1 154 154 GLY HA2 H 1 3.72 0.02 . 2 . . . . . 164 GLY HA2 . 50124 1 1915 . 1 . 1 154 154 GLY HA3 H 1 4.07 0.02 . 2 . . . . . 164 GLY HA3 . 50124 1 1916 . 1 . 1 154 154 GLY C C 13 173.95 0.05 . 1 . . . . . 164 GLY C . 50124 1 1917 . 1 . 1 154 154 GLY CA C 13 45.55 0.05 . 1 . . . . . 164 GLY CA . 50124 1 1918 . 1 . 1 154 154 GLY N N 15 110.1 0.1 . 1 . . . . . 164 GLY N . 50124 1 1919 . 1 . 1 155 155 MET H H 1 7.39 0.02 . 1 . . . . . 165 MET H . 50124 1 1920 . 1 . 1 155 155 MET HA H 1 4.74 0.02 . 1 . . . . . 165 MET HA . 50124 1 1921 . 1 . 1 155 155 MET HB2 H 1 1.99 0.02 . 2 . . . . . 165 MET HB2 . 50124 1 1922 . 1 . 1 155 155 MET HB3 H 1 1.92 0.02 . 2 . . . . . 165 MET HB3 . 50124 1 1923 . 1 . 1 155 155 MET HG2 H 1 2.53 0.02 . 2 . . . . . 165 MET HG2 . 50124 1 1924 . 1 . 1 155 155 MET HG3 H 1 2.24 0.02 . 2 . . . . . 165 MET HG3 . 50124 1 1925 . 1 . 1 155 155 MET C C 13 174.8 0.05 . 1 . . . . . 165 MET C . 50124 1 1926 . 1 . 1 155 155 MET CA C 13 53.52 0.05 . 1 . . . . . 165 MET CA . 50124 1 1927 . 1 . 1 155 155 MET CB C 13 32.27 0.05 . 1 . . . . . 165 MET CB . 50124 1 1928 . 1 . 1 155 155 MET CG C 13 31.65 0.05 . 1 . . . . . 165 MET CG . 50124 1 1929 . 1 . 1 155 155 MET N N 15 118.3 0.1 . 1 . . . . . 165 MET N . 50124 1 1930 . 1 . 1 156 156 LEU H H 1 8.02 0.02 . 1 . . . . . 166 LEU H . 50124 1 1931 . 1 . 1 156 156 LEU HA H 1 4.41 0.02 . 1 . . . . . 166 LEU HA . 50124 1 1932 . 1 . 1 156 156 LEU HB2 H 1 1.53 0.02 . 2 . . . . . 166 LEU HB2 . 50124 1 1933 . 1 . 1 156 156 LEU HB3 H 1 1.52 0.02 . 2 . . . . . 166 LEU HB3 . 50124 1 1934 . 1 . 1 156 156 LEU HG H 1 1.53 0.02 . 1 . . . . . 166 LEU HG . 50124 1 1935 . 1 . 1 156 156 LEU HD11 H 1 0.79 0.02 . 2 . . . . . 166 LEU MD1 . 50124 1 1936 . 1 . 1 156 156 LEU HD12 H 1 0.79 0.02 . 2 . . . . . 166 LEU MD1 . 50124 1 1937 . 1 . 1 156 156 LEU HD13 H 1 0.79 0.02 . 2 . . . . . 166 LEU MD1 . 50124 1 1938 . 1 . 1 156 156 LEU HD21 H 1 0.84 0.02 . 2 . . . . . 166 LEU MD2 . 50124 1 1939 . 1 . 1 156 156 LEU HD22 H 1 0.84 0.02 . 2 . . . . . 166 LEU MD2 . 50124 1 1940 . 1 . 1 156 156 LEU HD23 H 1 0.84 0.02 . 2 . . . . . 166 LEU MD2 . 50124 1 1941 . 1 . 1 156 156 LEU C C 13 175.95 0.05 . 1 . . . . . 166 LEU C . 50124 1 1942 . 1 . 1 156 156 LEU CA C 13 54.62 0.05 . 1 . . . . . 166 LEU CA . 50124 1 1943 . 1 . 1 156 156 LEU CB C 13 42.9 0.05 . 1 . . . . . 166 LEU CB . 50124 1 1944 . 1 . 1 156 156 LEU CG C 13 27.11 0.05 . 1 . . . . . 166 LEU CG . 50124 1 1945 . 1 . 1 156 156 LEU CD1 C 13 23.68 0.05 . 2 . . . . . 166 LEU CD1 . 50124 1 1946 . 1 . 1 156 156 LEU CD2 C 13 24.46 0.05 . 2 . . . . . 166 LEU CD2 . 50124 1 1947 . 1 . 1 156 156 LEU N N 15 123.3 0.1 . 1 . . . . . 166 LEU N . 50124 1 1948 . 1 . 1 157 157 PHE H H 1 7.57 0.02 . 1 . . . . . 167 PHE H . 50124 1 1949 . 1 . 1 157 157 PHE HA H 1 4.67 0.02 . 1 . . . . . 167 PHE HA . 50124 1 1950 . 1 . 1 157 157 PHE HB2 H 1 2.65 0.02 . 2 . . . . . 167 PHE HB2 . 50124 1 1951 . 1 . 1 157 157 PHE HB3 H 1 2.95 0.02 . 2 . . . . . 167 PHE HB3 . 50124 1 1952 . 1 . 1 157 157 PHE HD1 H 1 6.89 0.02 . 3 . . . . . 167 PHE HD1 . 50124 1 1953 . 1 . 1 157 157 PHE HD2 H 1 6.89 0.02 . 3 . . . . . 167 PHE HD2 . 50124 1 1954 . 1 . 1 157 157 PHE HE1 H 1 7.01 0.02 . 3 . . . . . 167 PHE HE1 . 50124 1 1955 . 1 . 1 157 157 PHE HE2 H 1 7.01 0.02 . 3 . . . . . 167 PHE HE2 . 50124 1 1956 . 1 . 1 157 157 PHE HZ H 1 6.95 0.02 . 1 . . . . . 167 PHE HZ . 50124 1 1957 . 1 . 1 157 157 PHE C C 13 173.58 0.05 . 1 . . . . . 167 PHE C . 50124 1 1958 . 1 . 1 157 157 PHE CA C 13 56.33 0.05 . 1 . . . . . 167 PHE CA . 50124 1 1959 . 1 . 1 157 157 PHE CB C 13 40.4 0.05 . 1 . . . . . 167 PHE CB . 50124 1 1960 . 1 . 1 157 157 PHE CD1 C 13 133.07 0.05 . 3 . . . . . 167 PHE CD1 . 50124 1 1961 . 1 . 1 157 157 PHE CD2 C 13 133.07 0.05 . 3 . . . . . 167 PHE CD2 . 50124 1 1962 . 1 . 1 157 157 PHE CE1 C 13 130.51 0.05 . 3 . . . . . 167 PHE CE1 . 50124 1 1963 . 1 . 1 157 157 PHE CE2 C 13 130.51 0.05 . 3 . . . . . 167 PHE CE2 . 50124 1 1964 . 1 . 1 157 157 PHE CZ C 13 127.20 0.05 . 1 . . . . . 167 PHE CZ . 50124 1 1965 . 1 . 1 157 157 PHE N N 15 118.5 0.1 . 1 . . . . . 167 PHE N . 50124 1 1966 . 1 . 1 158 158 ASP H H 1 8.21 0.02 . 1 . . . . . 168 ASP H . 50124 1 1967 . 1 . 1 158 158 ASP HA H 1 4.64 0.02 . 1 . . . . . 168 ASP HA . 50124 1 1968 . 1 . 1 158 158 ASP HB2 H 1 2.65 0.02 . 2 . . . . . 168 ASP HB2 . 50124 1 1969 . 1 . 1 158 158 ASP HB3 H 1 2.58 0.02 . 2 . . . . . 168 ASP HB3 . 50124 1 1970 . 1 . 1 158 158 ASP C C 13 175.38 0.05 . 1 . . . . . 168 ASP C . 50124 1 1971 . 1 . 1 158 158 ASP CA C 13 54.46 0.05 . 1 . . . . . 168 ASP CA . 50124 1 1972 . 1 . 1 158 158 ASP CB C 13 41.96 0.05 . 1 . . . . . 168 ASP CB . 50124 1 1973 . 1 . 1 158 158 ASP N N 15 119.8 0.1 . 1 . . . . . 168 ASP N . 50124 1 1974 . 1 . 1 159 159 SER H H 1 7.9 0.02 . 1 . . . . . 169 SER H . 50124 1 1975 . 1 . 1 159 159 SER HA H 1 4.87 0.02 . 1 . . . . . 169 SER HA . 50124 1 1976 . 1 . 1 159 159 SER HB2 H 1 3.62 0.02 . 2 . . . . . 169 SER HB2 . 50124 1 1977 . 1 . 1 159 159 SER HB3 H 1 3.69 0.02 . 2 . . . . . 169 SER HB3 . 50124 1 1978 . 1 . 1 159 159 SER C C 13 173.86 0.05 . 1 . . . . . 169 SER C . 50124 1 1979 . 1 . 1 159 159 SER CA C 13 57.74 0.05 . 1 . . . . . 169 SER CA . 50124 1 1980 . 1 . 1 159 159 SER CB C 13 63.99 0.05 . 1 . . . . . 169 SER CB . 50124 1 1981 . 1 . 1 159 159 SER N N 15 112.1 0.1 . 1 . . . . . 169 SER N . 50124 1 1982 . 1 . 1 160 160 LEU H H 1 8.72 0.02 . 1 . . . . . 170 LEU H . 50124 1 1983 . 1 . 1 160 160 LEU HA H 1 4.8 0.02 . 1 . . . . . 170 LEU HA . 50124 1 1984 . 1 . 1 160 160 LEU HB2 H 1 1.27 0.02 . 2 . . . . . 170 LEU HB2 . 50124 1 1985 . 1 . 1 160 160 LEU HB3 H 1 1.03 0.02 . 2 . . . . . 170 LEU HB3 . 50124 1 1986 . 1 . 1 160 160 LEU HG H 1 1.06 0.02 . 1 . . . . . 170 LEU HG . 50124 1 1987 . 1 . 1 160 160 LEU HD11 H 1 0.28 0.02 . 2 . . . . . 170 LEU MD1 . 50124 1 1988 . 1 . 1 160 160 LEU HD12 H 1 0.28 0.02 . 2 . . . . . 170 LEU MD1 . 50124 1 1989 . 1 . 1 160 160 LEU HD13 H 1 0.28 0.02 . 2 . . . . . 170 LEU MD1 . 50124 1 1990 . 1 . 1 160 160 LEU HD21 H 1 -0.24 0.02 . 2 . . . . . 170 LEU MD2 . 50124 1 1991 . 1 . 1 160 160 LEU HD22 H 1 -0.24 0.02 . 2 . . . . . 170 LEU MD2 . 50124 1 1992 . 1 . 1 160 160 LEU HD23 H 1 -0.24 0.02 . 2 . . . . . 170 LEU MD2 . 50124 1 1993 . 1 . 1 160 160 LEU CA C 13 51.02 0.05 . 1 . . . . . 170 LEU CA . 50124 1 1994 . 1 . 1 160 160 LEU CB C 13 44.3 0.05 . 1 . . . . . 170 LEU CB . 50124 1 1995 . 1 . 1 160 160 LEU CG C 13 26.33 0.05 . 1 . . . . . 170 LEU CG . 50124 1 1996 . 1 . 1 160 160 LEU CD1 C 13 26.18 0.05 . 2 . . . . . 170 LEU CD1 . 50124 1 1997 . 1 . 1 160 160 LEU CD2 C 13 22.74 0.05 . 2 . . . . . 170 LEU CD2 . 50124 1 1998 . 1 . 1 160 160 LEU N N 15 125.5 0.1 . 1 . . . . . 170 LEU N . 50124 1 1999 . 1 . 1 161 161 PRO HA H 1 4.47 0.02 . 1 . . . . . 171 PRO HA . 50124 1 2000 . 1 . 1 161 161 PRO HB2 H 1 2.08 0.02 . 2 . . . . . 171 PRO HB2 . 50124 1 2001 . 1 . 1 161 161 PRO HB3 H 1 1.58 0.02 . 2 . . . . . 171 PRO HB3 . 50124 1 2002 . 1 . 1 161 161 PRO HG2 H 1 1.96 0.02 . 2 . . . . . 171 PRO HG2 . 50124 1 2003 . 1 . 1 161 161 PRO HG3 H 1 1.87 0.02 . 2 . . . . . 171 PRO HG3 . 50124 1 2004 . 1 . 1 161 161 PRO HD2 H 1 3.72 0.02 . 2 . . . . . 171 PRO HD2 . 50124 1 2005 . 1 . 1 161 161 PRO HD3 H 1 3.45 0.02 . 2 . . . . . 171 PRO HD3 . 50124 1 2006 . 1 . 1 161 161 PRO C C 13 175.27 0.05 . 1 . . . . . 171 PRO C . 50124 1 2007 . 1 . 1 161 161 PRO CA C 13 62.16 0.05 . 1 . . . . . 171 PRO CA . 50124 1 2008 . 1 . 1 161 161 PRO CB C 13 32.43 0.05 . 1 . . . . . 171 PRO CB . 50124 1 2009 . 1 . 1 161 161 PRO CG C 13 26.33 0.05 . 1 . . . . . 171 PRO CG . 50124 1 2010 . 1 . 1 161 161 PRO CD C 13 50.08 0.05 . 1 . . . . . 171 PRO CD . 50124 1 2011 . 1 . 1 162 162 VAL H H 1 7.55 0.02 . 1 . . . . . 172 VAL H . 50124 1 2012 . 1 . 1 162 162 VAL HA H 1 3.97 0.02 . 1 . . . . . 172 VAL HA . 50124 1 2013 . 1 . 1 162 162 VAL HB H 1 1.68 0.02 . 1 . . . . . 172 VAL HB . 50124 1 2014 . 1 . 1 162 162 VAL HG11 H 1 0.74 0.02 . 2 . . . . . 172 VAL MG1 . 50124 1 2015 . 1 . 1 162 162 VAL HG12 H 1 0.74 0.02 . 2 . . . . . 172 VAL MG1 . 50124 1 2016 . 1 . 1 162 162 VAL HG13 H 1 0.74 0.02 . 2 . . . . . 172 VAL MG1 . 50124 1 2017 . 1 . 1 162 162 VAL HG21 H 1 0.45 0.02 . 2 . . . . . 172 VAL MG2 . 50124 1 2018 . 1 . 1 162 162 VAL HG22 H 1 0.45 0.02 . 2 . . . . . 172 VAL MG2 . 50124 1 2019 . 1 . 1 162 162 VAL HG23 H 1 0.45 0.02 . 2 . . . . . 172 VAL MG2 . 50124 1 2020 . 1 . 1 162 162 VAL C C 13 174.02 0.05 . 1 . . . . . 172 VAL C . 50124 1 2021 . 1 . 1 162 162 VAL CA C 13 61.02 0.05 . 1 . . . . . 172 VAL CA . 50124 1 2022 . 1 . 1 162 162 VAL CB C 13 32.9 0.05 . 1 . . . . . 172 VAL CB . 50124 1 2023 . 1 . 1 162 162 VAL CG1 C 13 22.58 0.05 . 2 . . . . . 172 VAL CG1 . 50124 1 2024 . 1 . 1 162 162 VAL CG2 C 13 20.55 0.05 . 2 . . . . . 172 VAL CG2 . 50124 1 2025 . 1 . 1 162 162 VAL N N 15 116.6 0.1 . 1 . . . . . 172 VAL N . 50124 1 2026 . 1 . 1 163 163 ILE H H 1 7.49 0.02 . 1 . . . . . 173 ILE H . 50124 1 2027 . 1 . 1 163 163 ILE HA H 1 4.09 0.02 . 1 . . . . . 173 ILE HA . 50124 1 2028 . 1 . 1 163 163 ILE HB H 1 1.38 0.02 . 1 . . . . . 173 ILE HB . 50124 1 2029 . 1 . 1 163 163 ILE HG12 H 1 1.21 0.02 . 2 . . . . . 173 ILE HG12 . 50124 1 2030 . 1 . 1 163 163 ILE HG13 H 1 0.93 0.02 . 2 . . . . . 173 ILE HG13 . 50124 1 2031 . 1 . 1 163 163 ILE HG21 H 1 0.72 0.02 . 1 . . . . . 173 ILE MG . 50124 1 2032 . 1 . 1 163 163 ILE HG22 H 1 0.72 0.02 . 1 . . . . . 173 ILE MG . 50124 1 2033 . 1 . 1 163 163 ILE HG23 H 1 0.72 0.02 . 1 . . . . . 173 ILE MG . 50124 1 2034 . 1 . 1 163 163 ILE HD11 H 1 0.7 0.02 . 1 . . . . . 173 ILE MD . 50124 1 2035 . 1 . 1 163 163 ILE HD12 H 1 0.7 0.02 . 1 . . . . . 173 ILE MD . 50124 1 2036 . 1 . 1 163 163 ILE HD13 H 1 0.7 0.02 . 1 . . . . . 173 ILE MD . 50124 1 2037 . 1 . 1 163 163 ILE C C 13 174.38 0.05 . 1 . . . . . 173 ILE C . 50124 1 2038 . 1 . 1 163 163 ILE CA C 13 59.46 0.05 . 1 . . . . . 173 ILE CA . 50124 1 2039 . 1 . 1 163 163 ILE CB C 13 39.15 0.05 . 1 . . . . . 173 ILE CB . 50124 1 2040 . 1 . 1 163 163 ILE CG1 C 13 26.49 0.05 . 1 . . . . . 173 ILE CG1 . 50124 1 2041 . 1 . 1 163 163 ILE CG2 C 13 17.27 0.05 . 1 . . . . . 173 ILE CG2 . 50124 1 2042 . 1 . 1 163 163 ILE CD1 C 13 12.11 0.05 . 1 . . . . . 173 ILE CD1 . 50124 1 2043 . 1 . 1 163 163 ILE N N 15 125.1 0.1 . 1 . . . . . 173 ILE N . 50124 1 2044 . 1 . 1 164 164 PHE H H 1 8.12 0.02 . 1 . . . . . 174 PHE H . 50124 1 2045 . 1 . 1 164 164 PHE HA H 1 5.36 0.02 . 1 . . . . . 174 PHE HA . 50124 1 2046 . 1 . 1 164 164 PHE HB2 H 1 2.35 0.02 . 2 . . . . . 174 PHE HB2 . 50124 1 2047 . 1 . 1 164 164 PHE HB3 H 1 2.05 0.02 . 2 . . . . . 174 PHE HB3 . 50124 1 2048 . 1 . 1 164 164 PHE HD1 H 1 6.68 0.02 . 3 . . . . . 174 PHE HD1 . 50124 1 2049 . 1 . 1 164 164 PHE HD2 H 1 6.68 0.02 . 3 . . . . . 174 PHE HD2 . 50124 1 2050 . 1 . 1 164 164 PHE HE1 H 1 6.7 0.02 . 3 . . . . . 174 PHE HE1 . 50124 1 2051 . 1 . 1 164 164 PHE HE2 H 1 6.7 0.02 . 3 . . . . . 174 PHE HE2 . 50124 1 2052 . 1 . 1 164 164 PHE HZ H 1 6.81 0.02 . 1 . . . . . 174 PHE HZ . 50124 1 2053 . 1 . 1 164 164 PHE C C 13 175.41 0.05 . 1 . . . . . 174 PHE C . 50124 1 2054 . 1 . 1 164 164 PHE CA C 13 55.71 0.05 . 1 . . . . . 174 PHE CA . 50124 1 2055 . 1 . 1 164 164 PHE CB C 13 42.58 0.05 . 1 . . . . . 174 PHE CB . 50124 1 2056 . 1 . 1 164 164 PHE CD1 C 13 132.13 0.05 . 3 . . . . . 174 PHE CD1 . 50124 1 2057 . 1 . 1 164 164 PHE CD2 C 13 132.13 0.05 . 3 . . . . . 174 PHE CD2 . 50124 1 2058 . 1 . 1 164 164 PHE CE1 C 13 130.11 0.05 . 3 . . . . . 174 PHE CE1 . 50124 1 2059 . 1 . 1 164 164 PHE CE2 C 13 130.11 0.05 . 3 . . . . . 174 PHE CE2 . 50124 1 2060 . 1 . 1 164 164 PHE CZ C 13 127.81 0.05 . 1 . . . . . 174 PHE CZ . 50124 1 2061 . 1 . 1 164 164 PHE N N 15 123.6 0.1 . 1 . . . . . 174 PHE N . 50124 1 2062 . 1 . 1 165 165 ASN H H 1 8.87 0.02 . 1 . . . . . 175 ASN H . 50124 1 2063 . 1 . 1 165 165 ASN HA H 1 5.06 0.02 . 1 . . . . . 175 ASN HA . 50124 1 2064 . 1 . 1 165 165 ASN HB2 H 1 2.53 0.02 . 2 . . . . . 175 ASN HB2 . 50124 1 2065 . 1 . 1 165 165 ASN HB3 H 1 2.72 0.02 . 2 . . . . . 175 ASN HB3 . 50124 1 2066 . 1 . 1 165 165 ASN HD21 H 1 7.36 0.02 . 1 . . . . . 175 ASN HD21 . 50124 1 2067 . 1 . 1 165 165 ASN HD22 H 1 6.76 0.02 . 1 . . . . . 175 ASN HD22 . 50124 1 2068 . 1 . 1 165 165 ASN C C 13 173.62 0.05 . 1 . . . . . 175 ASN C . 50124 1 2069 . 1 . 1 165 165 ASN CA C 13 51.65 0.05 . 1 . . . . . 175 ASN CA . 50124 1 2070 . 1 . 1 165 165 ASN CB C 13 41.8 0.05 . 1 . . . . . 175 ASN CB . 50124 1 2071 . 1 . 1 165 165 ASN N N 15 118.5 0.1 . 1 . . . . . 175 ASN N . 50124 1 2072 . 1 . 1 165 165 ASN ND2 N 15 110.7 0.1 . 1 . . . . . 175 ASN ND2 . 50124 1 2073 . 1 . 1 166 166 PHE H H 1 8.8 0.02 . 1 . . . . . 176 PHE H . 50124 1 2074 . 1 . 1 166 166 PHE HA H 1 5.27 0.02 . 1 . . . . . 176 PHE HA . 50124 1 2075 . 1 . 1 166 166 PHE HB2 H 1 3.05 0.02 . 2 . . . . . 176 PHE HB2 . 50124 1 2076 . 1 . 1 166 166 PHE HB3 H 1 2.68 0.02 . 2 . . . . . 176 PHE HB3 . 50124 1 2077 . 1 . 1 166 166 PHE HD1 H 1 7.16 0.02 . 3 . . . . . 176 PHE HD1 . 50124 1 2078 . 1 . 1 166 166 PHE HD2 H 1 7.16 0.02 . 3 . . . . . 176 PHE HD2 . 50124 1 2079 . 1 . 1 166 166 PHE HE1 H 1 7.04 0.02 . 3 . . . . . 176 PHE HE1 . 50124 1 2080 . 1 . 1 166 166 PHE HE2 H 1 7.04 0.02 . 3 . . . . . 176 PHE HE2 . 50124 1 2081 . 1 . 1 166 166 PHE HZ H 1 6.77 0.02 . 1 . . . . . 176 PHE HZ . 50124 1 2082 . 1 . 1 166 166 PHE C C 13 174.82 0.05 . 1 . . . . . 176 PHE C . 50124 1 2083 . 1 . 1 166 166 PHE CA C 13 56.8 0.05 . 1 . . . . . 176 PHE CA . 50124 1 2084 . 1 . 1 166 166 PHE CB C 13 41.96 0.05 . 1 . . . . . 176 PHE CB . 50124 1 2085 . 1 . 1 166 166 PHE CD1 C 13 132.46 0.05 . 3 . . . . . 176 PHE CD1 . 50124 1 2086 . 1 . 1 166 166 PHE CD2 C 13 132.46 0.05 . 3 . . . . . 176 PHE CD2 . 50124 1 2087 . 1 . 1 166 166 PHE CE1 C 13 130.98 0.05 . 3 . . . . . 176 PHE CE1 . 50124 1 2088 . 1 . 1 166 166 PHE CE2 C 13 130.98 0.05 . 3 . . . . . 176 PHE CE2 . 50124 1 2089 . 1 . 1 166 166 PHE CZ C 13 128.99 0.05 . 1 . . . . . 176 PHE CZ . 50124 1 2090 . 1 . 1 166 166 PHE N N 15 121.2 0.1 . 1 . . . . . 176 PHE N . 50124 1 2091 . 1 . 1 167 167 GLN H H 1 8.89 0.02 . 1 . . . . . 177 GLN H . 50124 1 2092 . 1 . 1 167 167 GLN HA H 1 4.8 0.02 . 1 . . . . . 177 GLN HA . 50124 1 2093 . 1 . 1 167 167 GLN HB2 H 1 2.03 0.02 . 2 . . . . . 177 GLN HB2 . 50124 1 2094 . 1 . 1 167 167 GLN HB3 H 1 1.95 0.02 . 2 . . . . . 177 GLN HB3 . 50124 1 2095 . 1 . 1 167 167 GLN HG2 H 1 2.23 0.02 . 2 . . . . . 177 GLN HG2 . 50124 1 2096 . 1 . 1 167 167 GLN HG3 H 1 2.35 0.02 . 2 . . . . . 177 GLN HG3 . 50124 1 2097 . 1 . 1 167 167 GLN HE21 H 1 7.43 0.02 . 1 . . . . . 177 GLN HE21 . 50124 1 2098 . 1 . 1 167 167 GLN HE22 H 1 6.74 0.02 . 1 . . . . . 177 GLN HE22 . 50124 1 2099 . 1 . 1 167 167 GLN C C 13 174.82 0.05 . 1 . . . . . 177 GLN C . 50124 1 2100 . 1 . 1 167 167 GLN CA C 13 54.15 0.05 . 1 . . . . . 177 GLN CA . 50124 1 2101 . 1 . 1 167 167 GLN CB C 13 32.43 0.05 . 1 . . . . . 177 GLN CB . 50124 1 2102 . 1 . 1 167 167 GLN CG C 13 33.68 0.05 . 1 . . . . . 177 GLN CG . 50124 1 2103 . 1 . 1 167 167 GLN N N 15 121.8 0.1 . 1 . . . . . 177 GLN N . 50124 1 2104 . 1 . 1 168 168 VAL H H 1 9.19 0.02 . 1 . . . . . 178 VAL H . 50124 1 2105 . 1 . 1 168 168 VAL HA H 1 4.05 0.02 . 1 . . . . . 178 VAL HA . 50124 1 2106 . 1 . 1 168 168 VAL HB H 1 2.12 0.02 . 1 . . . . . 178 VAL HB . 50124 1 2107 . 1 . 1 168 168 VAL HG11 H 1 0.91 0.02 . 2 . . . . . 178 VAL MG1 . 50124 1 2108 . 1 . 1 168 168 VAL HG12 H 1 0.91 0.02 . 2 . . . . . 178 VAL MG1 . 50124 1 2109 . 1 . 1 168 168 VAL HG13 H 1 0.91 0.02 . 2 . . . . . 178 VAL MG1 . 50124 1 2110 . 1 . 1 168 168 VAL HG21 H 1 0.87 0.02 . 2 . . . . . 178 VAL MG2 . 50124 1 2111 . 1 . 1 168 168 VAL HG22 H 1 0.87 0.02 . 2 . . . . . 178 VAL MG2 . 50124 1 2112 . 1 . 1 168 168 VAL HG23 H 1 0.87 0.02 . 2 . . . . . 178 VAL MG2 . 50124 1 2113 . 1 . 1 168 168 VAL C C 13 175.62 0.05 . 1 . . . . . 178 VAL C . 50124 1 2114 . 1 . 1 168 168 VAL CA C 13 63.68 0.05 . 1 . . . . . 178 VAL CA . 50124 1 2115 . 1 . 1 168 168 VAL CB C 13 31.65 0.05 . 1 . . . . . 178 VAL CB . 50124 1 2116 . 1 . 1 168 168 VAL CG1 C 13 21.8 0.05 . 2 . . . . . 178 VAL CG1 . 50124 1 2117 . 1 . 1 168 168 VAL CG2 C 13 21.96 0.05 . 2 . . . . . 178 VAL CG2 . 50124 1 2118 . 1 . 1 168 168 VAL N N 15 128 0.1 . 1 . . . . . 178 VAL N . 50124 1 2119 . 1 . 1 169 169 LEU H H 1 8.83 0.02 . 1 . . . . . 179 LEU H . 50124 1 2120 . 1 . 1 169 169 LEU HA H 1 4.37 0.02 . 1 . . . . . 179 LEU HA . 50124 1 2121 . 1 . 1 169 169 LEU HB2 H 1 1.6 0.02 . 2 . . . . . 179 LEU HB2 . 50124 1 2122 . 1 . 1 169 169 LEU HB3 H 1 1.65 0.02 . 2 . . . . . 179 LEU HB3 . 50124 1 2123 . 1 . 1 169 169 LEU HG H 1 1.63 0.02 . 1 . . . . . 179 LEU HG . 50124 1 2124 . 1 . 1 169 169 LEU HD11 H 1 0.87 0.02 . 2 . . . . . 179 LEU MD1 . 50124 1 2125 . 1 . 1 169 169 LEU HD12 H 1 0.87 0.02 . 2 . . . . . 179 LEU MD1 . 50124 1 2126 . 1 . 1 169 169 LEU HD13 H 1 0.87 0.02 . 2 . . . . . 179 LEU MD1 . 50124 1 2127 . 1 . 1 169 169 LEU HD21 H 1 0.92 0.02 . 2 . . . . . 179 LEU MD2 . 50124 1 2128 . 1 . 1 169 169 LEU HD22 H 1 0.92 0.02 . 2 . . . . . 179 LEU MD2 . 50124 1 2129 . 1 . 1 169 169 LEU HD23 H 1 0.92 0.02 . 2 . . . . . 179 LEU MD2 . 50124 1 2130 . 1 . 1 169 169 LEU C C 13 176.98 0.05 . 1 . . . . . 179 LEU C . 50124 1 2131 . 1 . 1 169 169 LEU CA C 13 55.24 0.05 . 1 . . . . . 179 LEU CA . 50124 1 2132 . 1 . 1 169 169 LEU CB C 13 42.58 0.05 . 1 . . . . . 179 LEU CB . 50124 1 2133 . 1 . 1 169 169 LEU CG C 13 27.11 0.05 . 1 . . . . . 179 LEU CG . 50124 1 2134 . 1 . 1 169 169 LEU CD1 C 13 24.93 0.05 . 2 . . . . . 179 LEU CD1 . 50124 1 2135 . 1 . 1 169 169 LEU CD2 C 13 25.08 0.05 . 2 . . . . . 179 LEU CD2 . 50124 1 2136 . 1 . 1 169 169 LEU N N 15 128.5 0.1 . 1 . . . . . 179 LEU N . 50124 1 2137 . 1 . 1 170 170 GLN H H 1 7.73 0.02 . 1 . . . . . 180 GLN H . 50124 1 2138 . 1 . 1 170 170 GLN HA H 1 4.54 0.02 . 1 . . . . . 180 GLN HA . 50124 1 2139 . 1 . 1 170 170 GLN HB2 H 1 1.93 0.02 . 2 . . . . . 180 GLN HB2 . 50124 1 2140 . 1 . 1 170 170 GLN HB3 H 1 2.06 0.02 . 2 . . . . . 180 GLN HB3 . 50124 1 2141 . 1 . 1 170 170 GLN HG2 H 1 2.3 0.02 . 2 . . . . . 180 GLN HG2 . 50124 1 2142 . 1 . 1 170 170 GLN HG3 H 1 2.33 0.02 . 2 . . . . . 180 GLN HG3 . 50124 1 2143 . 1 . 1 170 170 GLN HE21 H 1 7.54 0.02 . 1 . . . . . 180 GLN HE21 . 50124 1 2144 . 1 . 1 170 170 GLN HE22 H 1 6.74 0.02 . 1 . . . . . 180 GLN HE22 . 50124 1 2145 . 1 . 1 170 170 GLN C C 13 173.86 0.05 . 1 . . . . . 180 GLN C . 50124 1 2146 . 1 . 1 170 170 GLN CA C 13 55.71 0.05 . 1 . . . . . 180 GLN CA . 50124 1 2147 . 1 . 1 170 170 GLN CB C 13 32.11 0.05 . 1 . . . . . 180 GLN CB . 50124 1 2148 . 1 . 1 170 170 GLN CG C 13 33.99 0.05 . 1 . . . . . 180 GLN CG . 50124 1 2149 . 1 . 1 170 170 GLN N N 15 117.3 0.1 . 1 . . . . . 180 GLN N . 50124 1 2150 . 1 . 1 170 170 GLN NE2 N 15 111.8 0.1 . 1 . . . . . 180 GLN NE2 . 50124 1 2151 . 1 . 1 171 171 VAL H H 1 8.32 0.02 . 1 . . . . . 181 VAL H . 50124 1 2152 . 1 . 1 171 171 VAL HA H 1 4.67 0.02 . 1 . . . . . 181 VAL HA . 50124 1 2153 . 1 . 1 171 171 VAL HB H 1 2.13 0.02 . 1 . . . . . 181 VAL HB . 50124 1 2154 . 1 . 1 171 171 VAL HG11 H 1 1.01 0.02 . 2 . . . . . 181 VAL MG1 . 50124 1 2155 . 1 . 1 171 171 VAL HG12 H 1 1.01 0.02 . 2 . . . . . 181 VAL MG1 . 50124 1 2156 . 1 . 1 171 171 VAL HG13 H 1 1.01 0.02 . 2 . . . . . 181 VAL MG1 . 50124 1 2157 . 1 . 1 171 171 VAL HG21 H 1 0.92 0.02 . 2 . . . . . 181 VAL MG2 . 50124 1 2158 . 1 . 1 171 171 VAL HG22 H 1 0.92 0.02 . 2 . . . . . 181 VAL MG2 . 50124 1 2159 . 1 . 1 171 171 VAL HG23 H 1 0.92 0.02 . 2 . . . . . 181 VAL MG2 . 50124 1 2160 . 1 . 1 171 171 VAL C C 13 174.63 0.05 . 1 . . . . . 181 VAL C . 50124 1 2161 . 1 . 1 171 171 VAL CA C 13 61.49 0.05 . 1 . . . . . 181 VAL CA . 50124 1 2162 . 1 . 1 171 171 VAL CB C 13 34.15 0.05 . 1 . . . . . 181 VAL CB . 50124 1 2163 . 1 . 1 171 171 VAL CG1 C 13 22.11 0.05 . 2 . . . . . 181 VAL CG1 . 50124 1 2164 . 1 . 1 171 171 VAL CG2 C 13 21.18 0.05 . 2 . . . . . 181 VAL CG2 . 50124 1 2165 . 1 . 1 171 171 VAL N N 15 122.2 0.1 . 1 . . . . . 181 VAL N . 50124 1 2166 . 1 . 1 172 172 GLY H H 1 8.39 0.02 . 1 . . . . . 182 GLY H . 50124 1 2167 . 1 . 1 172 172 GLY HA2 H 1 4.03 0.02 . 2 . . . . . 182 GLY HA2 . 50124 1 2168 . 1 . 1 172 172 GLY HA3 H 1 3.78 0.02 . 2 . . . . . 182 GLY HA3 . 50124 1 2169 . 1 . 1 172 172 GLY CA C 13 46.02 0.05 . 1 . . . . . 182 GLY CA . 50124 1 2170 . 1 . 1 172 172 GLY N N 15 121 0.1 . 1 . . . . . 182 GLY N . 50124 1 stop_ save_