data_27780 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27780 _Entry.Title ; 1H, 13C and 15N resonance assignments for the N-terminal extended region and first CUE domain from chromatin remodeler SMARCAD1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-02-11 _Entry.Accession_date 2019-02-11 _Entry.Last_release_date 2019-02-11 _Entry.Original_release_date 2019-02-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _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 'NMR resonance assignments' _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 Christina Redfield . . . . 27780 2 Antonio Biasutto . J. . . 27780 3 Erika Mancini . J. . . 27780 4 Phillip West . M. . . 27780 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27780 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 402 27780 '15N chemical shifts' 99 27780 '1H chemical shifts' 672 27780 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2019-09-20 2019-02-11 update BMRB 'update entry citation' 27780 1 . . 2019-04-12 2019-02-11 original author 'original release' 27780 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27785 'first and second CUE domains from chromatin remodeler SMARCAD1' 27780 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27780 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30919308 _Citation.Full_citation . _Citation.Title ; 1H, 13C and 15N resonance assignments for the tandem CUE domains from chromatin remodeler SMARCAD1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 261 _Citation.Page_last 265 _Citation.Year 2019 _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 Antonio Biasutto . J. . . 27780 1 2 Phillip West . M. . . 27780 1 3 Erika Mancini . J. . . 27780 1 4 Christina Redfield . . . . 27780 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CUE domain' 27780 1 NMR 27780 1 SMARCAD1 27780 1 'chromatin remodeller' 27780 1 'resonance assignment' 27780 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27780 _Assembly.ID 1 _Assembly.Name eCUE _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 'EC 3.6.4.12' _Assembly.Details 'single eCUE polypeptide' _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 eCUE 1 $eCUE A . yes native no no . . . 27780 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_eCUE _Entity.Sf_category entity _Entity.Sf_framecode eCUE _Entity.Entry_ID 27780 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name eCUE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MTVQEKTFNKDTVIIVSEPS EDEESQGLPTMARRNDDISE LEDLSELEDLKDAKLQTLKE LFPQRSDNDLLKLIESTSTM DGAIAAALLMFGDAGGGPRK RKHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The sequence starts at residue 108.' _Entity.Polymer_author_seq_details ; Residues 108 is a non-native Met. Residues 210-215 are a non-native His6 tag. ; _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 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment eCUE _Entity.Mutation none _Entity.EC_number 'EC 3.6.4.12' _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP Q9H4L7 . SMARCAD1 . . . . . . . . . . . . . . 27780 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'CUE domain (recruitment domain) from chromatin remodeller' 27780 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 108 MET . 27780 1 2 109 THR . 27780 1 3 110 VAL . 27780 1 4 111 GLN . 27780 1 5 112 GLU . 27780 1 6 113 LYS . 27780 1 7 114 THR . 27780 1 8 115 PHE . 27780 1 9 116 ASN . 27780 1 10 117 LYS . 27780 1 11 118 ASP . 27780 1 12 119 THR . 27780 1 13 120 VAL . 27780 1 14 121 ILE . 27780 1 15 122 ILE . 27780 1 16 123 VAL . 27780 1 17 124 SER . 27780 1 18 125 GLU . 27780 1 19 126 PRO . 27780 1 20 127 SER . 27780 1 21 128 GLU . 27780 1 22 129 ASP . 27780 1 23 130 GLU . 27780 1 24 131 GLU . 27780 1 25 132 SER . 27780 1 26 133 GLN . 27780 1 27 134 GLY . 27780 1 28 135 LEU . 27780 1 29 136 PRO . 27780 1 30 137 THR . 27780 1 31 138 MET . 27780 1 32 139 ALA . 27780 1 33 140 ARG . 27780 1 34 141 ARG . 27780 1 35 142 ASN . 27780 1 36 143 ASP . 27780 1 37 144 ASP . 27780 1 38 145 ILE . 27780 1 39 146 SER . 27780 1 40 147 GLU . 27780 1 41 148 LEU . 27780 1 42 149 GLU . 27780 1 43 150 ASP . 27780 1 44 151 LEU . 27780 1 45 152 SER . 27780 1 46 153 GLU . 27780 1 47 154 LEU . 27780 1 48 155 GLU . 27780 1 49 156 ASP . 27780 1 50 157 LEU . 27780 1 51 158 LYS . 27780 1 52 159 ASP . 27780 1 53 160 ALA . 27780 1 54 161 LYS . 27780 1 55 162 LEU . 27780 1 56 163 GLN . 27780 1 57 164 THR . 27780 1 58 165 LEU . 27780 1 59 166 LYS . 27780 1 60 167 GLU . 27780 1 61 168 LEU . 27780 1 62 169 PHE . 27780 1 63 170 PRO . 27780 1 64 171 GLN . 27780 1 65 172 ARG . 27780 1 66 173 SER . 27780 1 67 174 ASP . 27780 1 68 175 ASN . 27780 1 69 176 ASP . 27780 1 70 177 LEU . 27780 1 71 178 LEU . 27780 1 72 179 LYS . 27780 1 73 180 LEU . 27780 1 74 181 ILE . 27780 1 75 182 GLU . 27780 1 76 183 SER . 27780 1 77 184 THR . 27780 1 78 185 SER . 27780 1 79 186 THR . 27780 1 80 187 MET . 27780 1 81 188 ASP . 27780 1 82 189 GLY . 27780 1 83 190 ALA . 27780 1 84 191 ILE . 27780 1 85 192 ALA . 27780 1 86 193 ALA . 27780 1 87 194 ALA . 27780 1 88 195 LEU . 27780 1 89 196 LEU . 27780 1 90 197 MET . 27780 1 91 198 PHE . 27780 1 92 199 GLY . 27780 1 93 200 ASP . 27780 1 94 201 ALA . 27780 1 95 202 GLY . 27780 1 96 203 GLY . 27780 1 97 204 GLY . 27780 1 98 205 PRO . 27780 1 99 206 ARG . 27780 1 100 207 LYS . 27780 1 101 208 ARG . 27780 1 102 209 LYS . 27780 1 103 210 HIS . 27780 1 104 211 HIS . 27780 1 105 212 HIS . 27780 1 106 213 HIS . 27780 1 107 214 HIS . 27780 1 108 215 HIS . 27780 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 27780 1 . THR 2 2 27780 1 . VAL 3 3 27780 1 . GLN 4 4 27780 1 . GLU 5 5 27780 1 . LYS 6 6 27780 1 . THR 7 7 27780 1 . PHE 8 8 27780 1 . ASN 9 9 27780 1 . LYS 10 10 27780 1 . ASP 11 11 27780 1 . THR 12 12 27780 1 . VAL 13 13 27780 1 . ILE 14 14 27780 1 . ILE 15 15 27780 1 . VAL 16 16 27780 1 . SER 17 17 27780 1 . GLU 18 18 27780 1 . PRO 19 19 27780 1 . SER 20 20 27780 1 . GLU 21 21 27780 1 . ASP 22 22 27780 1 . GLU 23 23 27780 1 . GLU 24 24 27780 1 . SER 25 25 27780 1 . GLN 26 26 27780 1 . GLY 27 27 27780 1 . LEU 28 28 27780 1 . PRO 29 29 27780 1 . THR 30 30 27780 1 . MET 31 31 27780 1 . ALA 32 32 27780 1 . ARG 33 33 27780 1 . ARG 34 34 27780 1 . ASN 35 35 27780 1 . ASP 36 36 27780 1 . ASP 37 37 27780 1 . ILE 38 38 27780 1 . SER 39 39 27780 1 . GLU 40 40 27780 1 . LEU 41 41 27780 1 . GLU 42 42 27780 1 . ASP 43 43 27780 1 . LEU 44 44 27780 1 . SER 45 45 27780 1 . GLU 46 46 27780 1 . LEU 47 47 27780 1 . GLU 48 48 27780 1 . ASP 49 49 27780 1 . LEU 50 50 27780 1 . LYS 51 51 27780 1 . ASP 52 52 27780 1 . ALA 53 53 27780 1 . LYS 54 54 27780 1 . LEU 55 55 27780 1 . GLN 56 56 27780 1 . THR 57 57 27780 1 . LEU 58 58 27780 1 . LYS 59 59 27780 1 . GLU 60 60 27780 1 . LEU 61 61 27780 1 . PHE 62 62 27780 1 . PRO 63 63 27780 1 . GLN 64 64 27780 1 . ARG 65 65 27780 1 . SER 66 66 27780 1 . ASP 67 67 27780 1 . ASN 68 68 27780 1 . ASP 69 69 27780 1 . LEU 70 70 27780 1 . LEU 71 71 27780 1 . LYS 72 72 27780 1 . LEU 73 73 27780 1 . ILE 74 74 27780 1 . GLU 75 75 27780 1 . SER 76 76 27780 1 . THR 77 77 27780 1 . SER 78 78 27780 1 . THR 79 79 27780 1 . MET 80 80 27780 1 . ASP 81 81 27780 1 . GLY 82 82 27780 1 . ALA 83 83 27780 1 . ILE 84 84 27780 1 . ALA 85 85 27780 1 . ALA 86 86 27780 1 . ALA 87 87 27780 1 . LEU 88 88 27780 1 . LEU 89 89 27780 1 . MET 90 90 27780 1 . PHE 91 91 27780 1 . GLY 92 92 27780 1 . ASP 93 93 27780 1 . ALA 94 94 27780 1 . GLY 95 95 27780 1 . GLY 96 96 27780 1 . GLY 97 97 27780 1 . PRO 98 98 27780 1 . ARG 99 99 27780 1 . LYS 100 100 27780 1 . ARG 101 101 27780 1 . LYS 102 102 27780 1 . HIS 103 103 27780 1 . HIS 104 104 27780 1 . HIS 105 105 27780 1 . HIS 106 106 27780 1 . HIS 107 107 27780 1 . HIS 108 108 27780 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27780 _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 $eCUE . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27780 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27780 _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 $eCUE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'Rosetta2 DE3 pLacI' . . . . . popinE . . . 27780 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27780 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eCUE '[U-99% 15N]' . . 1 $eCUE . . 0.5 . . mM 0.05 . . . 27780 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27780 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27780 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27780 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 eCUE '[U-99% 13C; U-99% 15N]' . . 1 $eCUE . . 0.5 . . mM 0.05 . . . 27780 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 27780 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 27780 2 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 27780 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 160 . mM 27780 1 pH 7.0 . pH 27780 1 pressure 1 . atm 27780 1 temperature 293 . K 27780 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 27780 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 27780 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 27780 1 stop_ save_ save_CCPN_Analysis _Software.Sf_category software _Software.Sf_framecode CCPN_Analysis _Software.Entry_ID 27780 _Software.ID 2 _Software.Type . _Software.Name CCPN_Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 27780 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27780 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 27780 _Software.ID 3 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 27780 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 27780 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27780 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27780 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 27780 _NMR_spectrometer.ID 3 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27780 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27780 1 2 spectrometer_2 Bruker Avance . 600 . . . 27780 1 3 spectrometer_3 Bruker Avance . 750 . . . 27780 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27780 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 27780 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 6 '3D CBCANH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 8 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 9 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 10 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 11 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 12 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 13 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27780 1 14 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27780 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27780 _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 water protons . . . . ppm 4.80 internal indirect 0.251449530 . . . . . 27780 1 H 1 water protons . . . . ppm 4.80 internal direct 1.0 . . . . . 27780 1 N 15 water protons . . . . ppm 4.80 internal indirect 0.101329118 . . . . . 27780 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27780 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 2 '2D 1H-15N HSQC' . . . 27780 1 6 '3D CBCANH' . . . 27780 1 8 '3D HNCO' . . . 27780 1 9 '3D HBHA(CO)NH' . . . 27780 1 10 '3D C(CO)NH' . . . 27780 1 11 '3D H(CCO)NH' . . . 27780 1 12 '3D HCCH-TOCSY' . . . 27780 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CCPN_Analysis . . 27780 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.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 3 3 VAL HA H 1 4.107 0.005 . 1 . . . . . 110 VAL HA . 27780 1 2 . 1 1 3 3 VAL HB H 1 2.037 0.005 . 1 . . . . . 110 VAL HB . 27780 1 3 . 1 1 3 3 VAL HG11 H 1 0.921 0.013 . 2 . . . . . 110 VAL HG11 . 27780 1 4 . 1 1 3 3 VAL HG12 H 1 0.921 0.013 . 2 . . . . . 110 VAL HG12 . 27780 1 5 . 1 1 3 3 VAL HG13 H 1 0.921 0.013 . 2 . . . . . 110 VAL HG13 . 27780 1 6 . 1 1 3 3 VAL HG21 H 1 0.925 0.012 . 2 . . . . . 110 VAL HG21 . 27780 1 7 . 1 1 3 3 VAL HG22 H 1 0.925 0.012 . 2 . . . . . 110 VAL HG22 . 27780 1 8 . 1 1 3 3 VAL HG23 H 1 0.925 0.012 . 2 . . . . . 110 VAL HG23 . 27780 1 9 . 1 1 3 3 VAL C C 13 175.838 0.000 . 1 . . . . . 110 VAL C . 27780 1 10 . 1 1 3 3 VAL CA C 13 62.619 0.045 . 1 . . . . . 110 VAL CA . 27780 1 11 . 1 1 3 3 VAL CB C 13 32.736 0.111 . 1 . . . . . 110 VAL CB . 27780 1 12 . 1 1 3 3 VAL CG1 C 13 20.670 0.032 . 2 . . . . . 110 VAL CG1 . 27780 1 13 . 1 1 3 3 VAL CG2 C 13 21.271 0.045 . 2 . . . . . 110 VAL CG2 . 27780 1 14 . 1 1 4 4 GLN H H 1 8.557 0.002 . 1 . . . . . 111 GLN H . 27780 1 15 . 1 1 4 4 GLN HA H 1 4.296 0.003 . 1 . . . . . 111 GLN HA . 27780 1 16 . 1 1 4 4 GLN HB2 H 1 1.941 0.002 . 2 . . . . . 111 GLN HB2 . 27780 1 17 . 1 1 4 4 GLN HB3 H 1 2.031 0.008 . 2 . . . . . 111 GLN HB3 . 27780 1 18 . 1 1 4 4 GLN HG2 H 1 2.329 0.004 . 1 . . . . . 111 GLN HG2 . 27780 1 19 . 1 1 4 4 GLN HG3 H 1 2.329 0.004 . 1 . . . . . 111 GLN HG3 . 27780 1 20 . 1 1 4 4 GLN HE21 H 1 7.525 0.001 . 1 . . . . . 111 GLN HE21 . 27780 1 21 . 1 1 4 4 GLN HE22 H 1 6.850 0.001 . 1 . . . . . 111 GLN HE22 . 27780 1 22 . 1 1 4 4 GLN C C 13 175.772 0.000 . 1 . . . . . 111 GLN C . 27780 1 23 . 1 1 4 4 GLN CA C 13 55.874 0.077 . 1 . . . . . 111 GLN CA . 27780 1 24 . 1 1 4 4 GLN CB C 13 29.579 0.100 . 1 . . . . . 111 GLN CB . 27780 1 25 . 1 1 4 4 GLN CG C 13 33.860 0.055 . 1 . . . . . 111 GLN CG . 27780 1 26 . 1 1 4 4 GLN N N 15 124.767 0.037 . 1 . . . . . 111 GLN N . 27780 1 27 . 1 1 4 4 GLN NE2 N 15 112.677 0.013 . 1 . . . . . 111 GLN NE2 . 27780 1 28 . 1 1 5 5 GLU H H 1 8.488 0.003 . 1 . . . . . 112 GLU H . 27780 1 29 . 1 1 5 5 GLU HA H 1 4.218 0.004 . 1 . . . . . 112 GLU HA . 27780 1 30 . 1 1 5 5 GLU HB2 H 1 1.912 0.001 . 2 . . . . . 112 GLU HB2 . 27780 1 31 . 1 1 5 5 GLU HB3 H 1 1.987 0.013 . 2 . . . . . 112 GLU HB3 . 27780 1 32 . 1 1 5 5 GLU HG2 H 1 2.233 0.000 . 1 . . . . . 112 GLU HG2 . 27780 1 33 . 1 1 5 5 GLU HG3 H 1 2.233 0.000 . 1 . . . . . 112 GLU HG3 . 27780 1 34 . 1 1 5 5 GLU C C 13 176.403 0.000 . 1 . . . . . 112 GLU C . 27780 1 35 . 1 1 5 5 GLU CA C 13 56.729 0.068 . 1 . . . . . 112 GLU CA . 27780 1 36 . 1 1 5 5 GLU CB C 13 30.506 0.045 . 1 . . . . . 112 GLU CB . 27780 1 37 . 1 1 5 5 GLU CG C 13 36.303 0.003 . 1 . . . . . 112 GLU CG . 27780 1 38 . 1 1 5 5 GLU N N 15 123.306 0.047 . 1 . . . . . 112 GLU N . 27780 1 39 . 1 1 6 6 LYS H H 1 8.448 0.002 . 1 . . . . . 113 LYS H . 27780 1 40 . 1 1 6 6 LYS HA H 1 4.297 0.005 . 1 . . . . . 113 LYS HA . 27780 1 41 . 1 1 6 6 LYS HB2 H 1 1.716 0.007 . 1 . . . . . 113 LYS HB2 . 27780 1 42 . 1 1 6 6 LYS HB3 H 1 1.716 0.007 . 1 . . . . . 113 LYS HB3 . 27780 1 43 . 1 1 6 6 LYS HG2 H 1 1.346 0.014 . 2 . . . . . 113 LYS HG2 . 27780 1 44 . 1 1 6 6 LYS HG3 H 1 1.376 0.016 . 2 . . . . . 113 LYS HG3 . 27780 1 45 . 1 1 6 6 LYS HD2 H 1 1.642 0.010 . 1 . . . . . 113 LYS HD2 . 27780 1 46 . 1 1 6 6 LYS HD3 H 1 1.642 0.010 . 1 . . . . . 113 LYS HD3 . 27780 1 47 . 1 1 6 6 LYS HE2 H 1 2.940 0.007 . 1 . . . . . 113 LYS HE2 . 27780 1 48 . 1 1 6 6 LYS HE3 H 1 2.940 0.007 . 1 . . . . . 113 LYS HE3 . 27780 1 49 . 1 1 6 6 LYS C C 13 176.441 0.000 . 1 . . . . . 113 LYS C . 27780 1 50 . 1 1 6 6 LYS CA C 13 56.474 0.047 . 1 . . . . . 113 LYS CA . 27780 1 51 . 1 1 6 6 LYS CB C 13 33.120 0.038 . 1 . . . . . 113 LYS CB . 27780 1 52 . 1 1 6 6 LYS CG C 13 24.888 0.036 . 1 . . . . . 113 LYS CG . 27780 1 53 . 1 1 6 6 LYS CD C 13 29.195 0.019 . 1 . . . . . 113 LYS CD . 27780 1 54 . 1 1 6 6 LYS CE C 13 42.161 0.044 . 1 . . . . . 113 LYS CE . 27780 1 55 . 1 1 6 6 LYS N N 15 122.577 0.038 . 1 . . . . . 113 LYS N . 27780 1 56 . 1 1 7 7 THR H H 1 8.075 0.002 . 1 . . . . . 114 THR H . 27780 1 57 . 1 1 7 7 THR HA H 1 4.252 0.006 . 1 . . . . . 114 THR HA . 27780 1 58 . 1 1 7 7 THR HB H 1 4.090 0.003 . 1 . . . . . 114 THR HB . 27780 1 59 . 1 1 7 7 THR HG21 H 1 1.103 0.000 . 1 . . . . . 114 THR HG21 . 27780 1 60 . 1 1 7 7 THR HG22 H 1 1.103 0.000 . 1 . . . . . 114 THR HG22 . 27780 1 61 . 1 1 7 7 THR HG23 H 1 1.103 0.000 . 1 . . . . . 114 THR HG23 . 27780 1 62 . 1 1 7 7 THR C C 13 173.978 0.000 . 1 . . . . . 114 THR C . 27780 1 63 . 1 1 7 7 THR CA C 13 61.749 0.042 . 1 . . . . . 114 THR CA . 27780 1 64 . 1 1 7 7 THR CB C 13 69.977 0.040 . 1 . . . . . 114 THR CB . 27780 1 65 . 1 1 7 7 THR CG2 C 13 21.617 0.038 . 1 . . . . . 114 THR CG2 . 27780 1 66 . 1 1 7 7 THR N N 15 115.173 0.046 . 1 . . . . . 114 THR N . 27780 1 67 . 1 1 8 8 PHE H H 1 8.300 0.003 . 1 . . . . . 115 PHE H . 27780 1 68 . 1 1 8 8 PHE HA H 1 4.594 0.005 . 1 . . . . . 115 PHE HA . 27780 1 69 . 1 1 8 8 PHE HB2 H 1 2.977 0.007 . 2 . . . . . 115 PHE HB2 . 27780 1 70 . 1 1 8 8 PHE HB3 H 1 3.070 0.011 . 2 . . . . . 115 PHE HB3 . 27780 1 71 . 1 1 8 8 PHE C C 13 175.079 0.000 . 1 . . . . . 115 PHE C . 27780 1 72 . 1 1 8 8 PHE CA C 13 57.679 0.024 . 1 . . . . . 115 PHE CA . 27780 1 73 . 1 1 8 8 PHE CB C 13 39.858 0.055 . 1 . . . . . 115 PHE CB . 27780 1 74 . 1 1 8 8 PHE N N 15 122.459 0.034 . 1 . . . . . 115 PHE N . 27780 1 75 . 1 1 9 9 ASN H H 1 8.376 0.005 . 1 . . . . . 116 ASN H . 27780 1 76 . 1 1 9 9 ASN HA H 1 4.595 0.010 . 1 . . . . . 116 ASN HA . 27780 1 77 . 1 1 9 9 ASN HB2 H 1 2.667 0.007 . 2 . . . . . 116 ASN HB2 . 27780 1 78 . 1 1 9 9 ASN HB3 H 1 2.764 0.009 . 2 . . . . . 116 ASN HB3 . 27780 1 79 . 1 1 9 9 ASN HD21 H 1 7.575 0.002 . 1 . . . . . 116 ASN HD21 . 27780 1 80 . 1 1 9 9 ASN HD22 H 1 6.916 0.003 . 1 . . . . . 116 ASN HD22 . 27780 1 81 . 1 1 9 9 ASN CA C 13 53.098 0.029 . 1 . . . . . 116 ASN CA . 27780 1 82 . 1 1 9 9 ASN CB C 13 39.164 0.084 . 1 . . . . . 116 ASN CB . 27780 1 83 . 1 1 9 9 ASN N N 15 121.240 0.083 . 1 . . . . . 116 ASN N . 27780 1 84 . 1 1 9 9 ASN ND2 N 15 112.871 0.029 . 1 . . . . . 116 ASN ND2 . 27780 1 85 . 1 1 10 10 LYS H H 1 8.347 0.002 . 1 . . . . . 117 LYS H . 27780 1 86 . 1 1 10 10 LYS HA H 1 4.211 0.008 . 1 . . . . . 117 LYS HA . 27780 1 87 . 1 1 10 10 LYS HB2 H 1 1.750 0.003 . 2 . . . . . 117 LYS HB2 . 27780 1 88 . 1 1 10 10 LYS HB3 H 1 1.811 0.013 . 2 . . . . . 117 LYS HB3 . 27780 1 89 . 1 1 10 10 LYS HG2 H 1 1.257 0.001 . 2 . . . . . 117 LYS HG2 . 27780 1 90 . 1 1 10 10 LYS HG3 H 1 1.395 0.001 . 2 . . . . . 117 LYS HG3 . 27780 1 91 . 1 1 10 10 LYS HD2 H 1 1.653 0.000 . 2 . . . . . 117 LYS HD2 . 27780 1 92 . 1 1 10 10 LYS HD3 H 1 1.616 0.006 . 2 . . . . . 117 LYS HD3 . 27780 1 93 . 1 1 10 10 LYS C C 13 176.260 0.000 . 1 . . . . . 117 LYS C . 27780 1 94 . 1 1 10 10 LYS CA C 13 56.898 0.020 . 1 . . . . . 117 LYS CA . 27780 1 95 . 1 1 10 10 LYS CB C 13 32.866 0.068 . 1 . . . . . 117 LYS CB . 27780 1 96 . 1 1 10 10 LYS CG C 13 24.669 0.058 . 1 . . . . . 117 LYS CG . 27780 1 97 . 1 1 10 10 LYS CD C 13 29.104 0.023 . 1 . . . . . 117 LYS CD . 27780 1 98 . 1 1 10 10 LYS N N 15 122.148 0.050 . 1 . . . . . 117 LYS N . 27780 1 99 . 1 1 11 11 ASP H H 1 8.338 0.001 . 1 . . . . . 118 ASP H . 27780 1 100 . 1 1 11 11 ASP HA H 1 4.604 0.006 . 1 . . . . . 118 ASP HA . 27780 1 101 . 1 1 11 11 ASP HB2 H 1 2.601 0.006 . 2 . . . . . 118 ASP HB2 . 27780 1 102 . 1 1 11 11 ASP HB3 H 1 2.680 0.015 . 2 . . . . . 118 ASP HB3 . 27780 1 103 . 1 1 11 11 ASP C C 13 176.302 0.000 . 1 . . . . . 118 ASP C . 27780 1 104 . 1 1 11 11 ASP CA C 13 54.792 0.016 . 1 . . . . . 118 ASP CA . 27780 1 105 . 1 1 11 11 ASP CB C 13 41.212 0.029 . 1 . . . . . 118 ASP CB . 27780 1 106 . 1 1 11 11 ASP N N 15 120.593 0.053 . 1 . . . . . 118 ASP N . 27780 1 107 . 1 1 12 12 THR H H 1 7.969 0.003 . 1 . . . . . 119 THR H . 27780 1 108 . 1 1 12 12 THR HA H 1 4.247 0.004 . 1 . . . . . 119 THR HA . 27780 1 109 . 1 1 12 12 THR HB H 1 4.128 0.008 . 1 . . . . . 119 THR HB . 27780 1 110 . 1 1 12 12 THR HG21 H 1 1.141 0.000 . 1 . . . . . 119 THR HG21 . 27780 1 111 . 1 1 12 12 THR HG22 H 1 1.141 0.000 . 1 . . . . . 119 THR HG22 . 27780 1 112 . 1 1 12 12 THR HG23 H 1 1.141 0.000 . 1 . . . . . 119 THR HG23 . 27780 1 113 . 1 1 12 12 THR C C 13 174.182 0.000 . 1 . . . . . 119 THR C . 27780 1 114 . 1 1 12 12 THR CA C 13 62.275 0.009 . 1 . . . . . 119 THR CA . 27780 1 115 . 1 1 12 12 THR CB C 13 69.810 0.039 . 1 . . . . . 119 THR CB . 27780 1 116 . 1 1 12 12 THR CG2 C 13 21.694 0.053 . 1 . . . . . 119 THR CG2 . 27780 1 117 . 1 1 12 12 THR N N 15 114.677 0.041 . 1 . . . . . 119 THR N . 27780 1 118 . 1 1 13 13 VAL H H 1 8.122 0.002 . 1 . . . . . 120 VAL H . 27780 1 119 . 1 1 13 13 VAL HA H 1 4.055 0.005 . 1 . . . . . 120 VAL HA . 27780 1 120 . 1 1 13 13 VAL HB H 1 1.998 0.004 . 1 . . . . . 120 VAL HB . 27780 1 121 . 1 1 13 13 VAL HG11 H 1 0.857 0.000 . 2 . . . . . 120 VAL HG11 . 27780 1 122 . 1 1 13 13 VAL HG12 H 1 0.857 0.000 . 2 . . . . . 120 VAL HG12 . 27780 1 123 . 1 1 13 13 VAL HG13 H 1 0.857 0.000 . 2 . . . . . 120 VAL HG13 . 27780 1 124 . 1 1 13 13 VAL HG21 H 1 0.907 0.000 . 2 . . . . . 120 VAL HG21 . 27780 1 125 . 1 1 13 13 VAL HG22 H 1 0.907 0.000 . 2 . . . . . 120 VAL HG22 . 27780 1 126 . 1 1 13 13 VAL HG23 H 1 0.907 0.000 . 2 . . . . . 120 VAL HG23 . 27780 1 127 . 1 1 13 13 VAL C C 13 175.614 0.000 . 1 . . . . . 120 VAL C . 27780 1 128 . 1 1 13 13 VAL CA C 13 62.508 0.038 . 1 . . . . . 120 VAL CA . 27780 1 129 . 1 1 13 13 VAL CB C 13 32.809 0.057 . 1 . . . . . 120 VAL CB . 27780 1 130 . 1 1 13 13 VAL CG1 C 13 21.076 0.005 . 2 . . . . . 120 VAL CG1 . 27780 1 131 . 1 1 13 13 VAL CG2 C 13 21.042 0.029 . 2 . . . . . 120 VAL CG2 . 27780 1 132 . 1 1 13 13 VAL N N 15 123.955 0.044 . 1 . . . . . 120 VAL N . 27780 1 133 . 1 1 14 14 ILE H H 1 8.298 0.002 . 1 . . . . . 121 ILE H . 27780 1 134 . 1 1 14 14 ILE HA H 1 4.120 0.006 . 1 . . . . . 121 ILE HA . 27780 1 135 . 1 1 14 14 ILE HB H 1 1.773 0.010 . 1 . . . . . 121 ILE HB . 27780 1 136 . 1 1 14 14 ILE HG12 H 1 1.435 0.002 . 2 . . . . . 121 ILE HG12 . 27780 1 137 . 1 1 14 14 ILE HG13 H 1 1.135 0.008 . 2 . . . . . 121 ILE HG13 . 27780 1 138 . 1 1 14 14 ILE HG21 H 1 0.807 0.000 . 1 . . . . . 121 ILE HG21 . 27780 1 139 . 1 1 14 14 ILE HG22 H 1 0.807 0.000 . 1 . . . . . 121 ILE HG22 . 27780 1 140 . 1 1 14 14 ILE HG23 H 1 0.807 0.000 . 1 . . . . . 121 ILE HG23 . 27780 1 141 . 1 1 14 14 ILE HD11 H 1 0.789 0.003 . 1 . . . . . 121 ILE HD11 . 27780 1 142 . 1 1 14 14 ILE HD12 H 1 0.789 0.003 . 1 . . . . . 121 ILE HD12 . 27780 1 143 . 1 1 14 14 ILE HD13 H 1 0.789 0.003 . 1 . . . . . 121 ILE HD13 . 27780 1 144 . 1 1 14 14 ILE C C 13 175.796 0.000 . 1 . . . . . 121 ILE C . 27780 1 145 . 1 1 14 14 ILE CA C 13 60.797 0.034 . 1 . . . . . 121 ILE CA . 27780 1 146 . 1 1 14 14 ILE CB C 13 38.560 0.037 . 1 . . . . . 121 ILE CB . 27780 1 147 . 1 1 14 14 ILE CG1 C 13 27.270 0.070 . 1 . . . . . 121 ILE CG1 . 27780 1 148 . 1 1 14 14 ILE CG2 C 13 17.418 0.046 . 1 . . . . . 121 ILE CG2 . 27780 1 149 . 1 1 14 14 ILE CD1 C 13 12.547 0.065 . 1 . . . . . 121 ILE CD1 . 27780 1 150 . 1 1 14 14 ILE N N 15 126.319 0.061 . 1 . . . . . 121 ILE N . 27780 1 151 . 1 1 15 15 ILE H H 1 8.373 0.002 . 1 . . . . . 122 ILE H . 27780 1 152 . 1 1 15 15 ILE HA H 1 4.156 0.004 . 1 . . . . . 122 ILE HA . 27780 1 153 . 1 1 15 15 ILE HB H 1 1.788 0.005 . 1 . . . . . 122 ILE HB . 27780 1 154 . 1 1 15 15 ILE HG12 H 1 1.143 0.001 . 2 . . . . . 122 ILE HG12 . 27780 1 155 . 1 1 15 15 ILE HG13 H 1 1.438 0.000 . 2 . . . . . 122 ILE HG13 . 27780 1 156 . 1 1 15 15 ILE HG21 H 1 0.823 0.001 . 1 . . . . . 122 ILE HG21 . 27780 1 157 . 1 1 15 15 ILE HG22 H 1 0.823 0.001 . 1 . . . . . 122 ILE HG22 . 27780 1 158 . 1 1 15 15 ILE HG23 H 1 0.823 0.001 . 1 . . . . . 122 ILE HG23 . 27780 1 159 . 1 1 15 15 ILE HD11 H 1 0.801 0.002 . 1 . . . . . 122 ILE HD11 . 27780 1 160 . 1 1 15 15 ILE HD12 H 1 0.801 0.002 . 1 . . . . . 122 ILE HD12 . 27780 1 161 . 1 1 15 15 ILE HD13 H 1 0.801 0.002 . 1 . . . . . 122 ILE HD13 . 27780 1 162 . 1 1 15 15 ILE C C 13 176.013 0.000 . 1 . . . . . 122 ILE C . 27780 1 163 . 1 1 15 15 ILE CA C 13 60.629 0.031 . 1 . . . . . 122 ILE CA . 27780 1 164 . 1 1 15 15 ILE CB C 13 38.502 0.040 . 1 . . . . . 122 ILE CB . 27780 1 165 . 1 1 15 15 ILE CG1 C 13 27.264 0.016 . 1 . . . . . 122 ILE CG1 . 27780 1 166 . 1 1 15 15 ILE CG2 C 13 17.412 0.029 . 1 . . . . . 122 ILE CG2 . 27780 1 167 . 1 1 15 15 ILE CD1 C 13 12.478 0.005 . 1 . . . . . 122 ILE CD1 . 27780 1 168 . 1 1 15 15 ILE N N 15 127.341 0.080 . 1 . . . . . 122 ILE N . 27780 1 169 . 1 1 16 16 VAL H H 1 8.379 0.002 . 1 . . . . . 123 VAL H . 27780 1 170 . 1 1 16 16 VAL HA H 1 4.127 0.006 . 1 . . . . . 123 VAL HA . 27780 1 171 . 1 1 16 16 VAL HB H 1 2.025 0.005 . 1 . . . . . 123 VAL HB . 27780 1 172 . 1 1 16 16 VAL HG11 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG11 . 27780 1 173 . 1 1 16 16 VAL HG12 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG12 . 27780 1 174 . 1 1 16 16 VAL HG13 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG13 . 27780 1 175 . 1 1 16 16 VAL HG21 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG21 . 27780 1 176 . 1 1 16 16 VAL HG22 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG22 . 27780 1 177 . 1 1 16 16 VAL HG23 H 1 0.894 0.003 . 1 . . . . . 123 VAL HG23 . 27780 1 178 . 1 1 16 16 VAL C C 13 175.835 0.000 . 1 . . . . . 123 VAL C . 27780 1 179 . 1 1 16 16 VAL CA C 13 62.133 0.031 . 1 . . . . . 123 VAL CA . 27780 1 180 . 1 1 16 16 VAL CB C 13 32.915 0.014 . 1 . . . . . 123 VAL CB . 27780 1 181 . 1 1 16 16 VAL CG1 C 13 20.544 0.002 . 2 . . . . . 123 VAL CG1 . 27780 1 182 . 1 1 16 16 VAL CG2 C 13 21.278 0.016 . 2 . . . . . 123 VAL CG2 . 27780 1 183 . 1 1 16 16 VAL N N 15 126.224 0.068 . 1 . . . . . 123 VAL N . 27780 1 184 . 1 1 17 17 SER H H 1 8.411 0.001 . 1 . . . . . 124 SER H . 27780 1 185 . 1 1 17 17 SER HA H 1 4.442 0.003 . 1 . . . . . 124 SER HA . 27780 1 186 . 1 1 17 17 SER HB2 H 1 3.774 0.004 . 1 . . . . . 124 SER HB2 . 27780 1 187 . 1 1 17 17 SER HB3 H 1 3.774 0.004 . 1 . . . . . 124 SER HB3 . 27780 1 188 . 1 1 17 17 SER C C 13 173.873 0.000 . 1 . . . . . 124 SER C . 27780 1 189 . 1 1 17 17 SER CA C 13 58.127 0.014 . 1 . . . . . 124 SER CA . 27780 1 190 . 1 1 17 17 SER CB C 13 64.004 0.037 . 1 . . . . . 124 SER CB . 27780 1 191 . 1 1 17 17 SER N N 15 120.558 0.049 . 1 . . . . . 124 SER N . 27780 1 192 . 1 1 18 18 GLU H H 1 8.437 0.003 . 1 . . . . . 125 GLU H . 27780 1 193 . 1 1 18 18 GLU HA H 1 4.583 0.013 . 1 . . . . . 125 GLU HA . 27780 1 194 . 1 1 18 18 GLU HB2 H 1 1.836 0.011 . 2 . . . . . 125 GLU HB2 . 27780 1 195 . 1 1 18 18 GLU HB3 H 1 2.002 0.012 . 2 . . . . . 125 GLU HB3 . 27780 1 196 . 1 1 18 18 GLU HG2 H 1 2.246 0.013 . 1 . . . . . 125 GLU HG2 . 27780 1 197 . 1 1 18 18 GLU HG3 H 1 2.246 0.013 . 1 . . . . . 125 GLU HG3 . 27780 1 198 . 1 1 18 18 GLU CA C 13 54.437 0.046 . 1 . . . . . 125 GLU CA . 27780 1 199 . 1 1 18 18 GLU CB C 13 29.785 0.039 . 1 . . . . . 125 GLU CB . 27780 1 200 . 1 1 18 18 GLU CG C 13 35.787 0.000 . 1 . . . . . 125 GLU CG . 27780 1 201 . 1 1 18 18 GLU N N 15 124.171 0.046 . 1 . . . . . 125 GLU N . 27780 1 202 . 1 1 19 19 PRO HA H 1 4.405 0.004 . 1 . . . . . 126 PRO HA . 27780 1 203 . 1 1 19 19 PRO HB2 H 1 1.905 0.006 . 2 . . . . . 126 PRO HB2 . 27780 1 204 . 1 1 19 19 PRO HB3 H 1 2.260 0.002 . 2 . . . . . 126 PRO HB3 . 27780 1 205 . 1 1 19 19 PRO HG2 H 1 2.016 0.002 . 1 . . . . . 126 PRO HG2 . 27780 1 206 . 1 1 19 19 PRO HG3 H 1 2.016 0.002 . 1 . . . . . 126 PRO HG3 . 27780 1 207 . 1 1 19 19 PRO HD2 H 1 3.674 0.004 . 2 . . . . . 126 PRO HD2 . 27780 1 208 . 1 1 19 19 PRO HD3 H 1 3.779 0.002 . 2 . . . . . 126 PRO HD3 . 27780 1 209 . 1 1 19 19 PRO C C 13 176.907 0.000 . 1 . . . . . 126 PRO C . 27780 1 210 . 1 1 19 19 PRO CA C 13 63.285 0.007 . 1 . . . . . 126 PRO CA . 27780 1 211 . 1 1 19 19 PRO CB C 13 32.228 0.008 . 1 . . . . . 126 PRO CB . 27780 1 212 . 1 1 19 19 PRO CG C 13 27.475 0.035 . 1 . . . . . 126 PRO CG . 27780 1 213 . 1 1 19 19 PRO CD C 13 50.715 0.027 . 1 . . . . . 126 PRO CD . 27780 1 214 . 1 1 20 20 SER H H 1 8.502 0.003 . 1 . . . . . 127 SER H . 27780 1 215 . 1 1 20 20 SER HA H 1 4.438 0.002 . 1 . . . . . 127 SER HA . 27780 1 216 . 1 1 20 20 SER HB2 H 1 3.819 0.000 . 2 . . . . . 127 SER HB2 . 27780 1 217 . 1 1 20 20 SER HB3 H 1 3.895 0.000 . 2 . . . . . 127 SER HB3 . 27780 1 218 . 1 1 20 20 SER C C 13 174.777 0.000 . 1 . . . . . 127 SER C . 27780 1 219 . 1 1 20 20 SER CA C 13 58.203 0.024 . 1 . . . . . 127 SER CA . 27780 1 220 . 1 1 20 20 SER CB C 13 64.130 0.046 . 1 . . . . . 127 SER CB . 27780 1 221 . 1 1 20 20 SER N N 15 116.526 0.044 . 1 . . . . . 127 SER N . 27780 1 222 . 1 1 21 21 GLU H H 1 8.555 0.002 . 1 . . . . . 128 GLU H . 27780 1 223 . 1 1 21 21 GLU HA H 1 4.276 0.006 . 1 . . . . . 128 GLU HA . 27780 1 224 . 1 1 21 21 GLU HB2 H 1 1.888 0.011 . 2 . . . . . 128 GLU HB2 . 27780 1 225 . 1 1 21 21 GLU HB3 H 1 2.057 0.007 . 2 . . . . . 128 GLU HB3 . 27780 1 226 . 1 1 21 21 GLU HG2 H 1 2.231 0.003 . 1 . . . . . 128 GLU HG2 . 27780 1 227 . 1 1 21 21 GLU HG3 H 1 2.231 0.003 . 1 . . . . . 128 GLU HG3 . 27780 1 228 . 1 1 21 21 GLU C C 13 176.263 0.000 . 1 . . . . . 128 GLU C . 27780 1 229 . 1 1 21 21 GLU CA C 13 56.890 0.019 . 1 . . . . . 128 GLU CA . 27780 1 230 . 1 1 21 21 GLU CB C 13 30.346 0.077 . 1 . . . . . 128 GLU CB . 27780 1 231 . 1 1 21 21 GLU CG C 13 36.366 0.028 . 1 . . . . . 128 GLU CG . 27780 1 232 . 1 1 21 21 GLU N N 15 122.891 0.030 . 1 . . . . . 128 GLU N . 27780 1 233 . 1 1 22 22 ASP H H 1 8.334 0.002 . 1 . . . . . 129 ASP H . 27780 1 234 . 1 1 22 22 ASP HA H 1 4.571 0.003 . 1 . . . . . 129 ASP HA . 27780 1 235 . 1 1 22 22 ASP HB2 H 1 2.584 0.010 . 2 . . . . . 129 ASP HB2 . 27780 1 236 . 1 1 22 22 ASP HB3 H 1 2.674 0.011 . 2 . . . . . 129 ASP HB3 . 27780 1 237 . 1 1 22 22 ASP C C 13 176.480 0.000 . 1 . . . . . 129 ASP C . 27780 1 238 . 1 1 22 22 ASP CA C 13 54.457 0.088 . 1 . . . . . 129 ASP CA . 27780 1 239 . 1 1 22 22 ASP CB C 13 41.308 0.038 . 1 . . . . . 129 ASP CB . 27780 1 240 . 1 1 22 22 ASP N N 15 120.791 0.051 . 1 . . . . . 129 ASP N . 27780 1 241 . 1 1 23 23 GLU H H 1 8.356 0.002 . 1 . . . . . 130 GLU H . 27780 1 242 . 1 1 23 23 GLU HA H 1 4.179 0.005 . 1 . . . . . 130 GLU HA . 27780 1 243 . 1 1 23 23 GLU HB2 H 1 1.942 0.009 . 2 . . . . . 130 GLU HB2 . 27780 1 244 . 1 1 23 23 GLU HB3 H 1 2.026 0.004 . 2 . . . . . 130 GLU HB3 . 27780 1 245 . 1 1 23 23 GLU HG2 H 1 2.243 0.004 . 1 . . . . . 130 GLU HG2 . 27780 1 246 . 1 1 23 23 GLU HG3 H 1 2.243 0.004 . 1 . . . . . 130 GLU HG3 . 27780 1 247 . 1 1 23 23 GLU C C 13 177.132 0.000 . 1 . . . . . 130 GLU C . 27780 1 248 . 1 1 23 23 GLU CA C 13 57.337 0.047 . 1 . . . . . 130 GLU CA . 27780 1 249 . 1 1 23 23 GLU CB C 13 30.428 0.054 . 1 . . . . . 130 GLU CB . 27780 1 250 . 1 1 23 23 GLU CG C 13 36.446 0.020 . 1 . . . . . 130 GLU CG . 27780 1 251 . 1 1 23 23 GLU N N 15 121.600 0.058 . 1 . . . . . 130 GLU N . 27780 1 252 . 1 1 24 24 GLU H H 1 8.482 0.002 . 1 . . . . . 131 GLU H . 27780 1 253 . 1 1 24 24 GLU HA H 1 4.225 0.005 . 1 . . . . . 131 GLU HA . 27780 1 254 . 1 1 24 24 GLU HB2 H 1 1.953 0.010 . 2 . . . . . 131 GLU HB2 . 27780 1 255 . 1 1 24 24 GLU HB3 H 1 2.050 0.014 . 2 . . . . . 131 GLU HB3 . 27780 1 256 . 1 1 24 24 GLU HG2 H 1 2.216 0.000 . 2 . . . . . 131 GLU HG2 . 27780 1 257 . 1 1 24 24 GLU HG3 H 1 2.275 0.001 . 2 . . . . . 131 GLU HG3 . 27780 1 258 . 1 1 24 24 GLU C C 13 177.115 0.000 . 1 . . . . . 131 GLU C . 27780 1 259 . 1 1 24 24 GLU CA C 13 57.264 0.018 . 1 . . . . . 131 GLU CA . 27780 1 260 . 1 1 24 24 GLU CB C 13 30.153 0.089 . 1 . . . . . 131 GLU CB . 27780 1 261 . 1 1 24 24 GLU CG C 13 36.455 0.024 . 1 . . . . . 131 GLU CG . 27780 1 262 . 1 1 24 24 GLU N N 15 121.342 0.054 . 1 . . . . . 131 GLU N . 27780 1 263 . 1 1 25 25 SER H H 1 8.278 0.002 . 1 . . . . . 132 SER H . 27780 1 264 . 1 1 25 25 SER HA H 1 4.387 0.005 . 1 . . . . . 132 SER HA . 27780 1 265 . 1 1 25 25 SER HB2 H 1 3.863 0.005 . 1 . . . . . 132 SER HB2 . 27780 1 266 . 1 1 25 25 SER HB3 H 1 3.863 0.005 . 1 . . . . . 132 SER HB3 . 27780 1 267 . 1 1 25 25 SER C C 13 174.909 0.000 . 1 . . . . . 132 SER C . 27780 1 268 . 1 1 25 25 SER CA C 13 58.843 0.064 . 1 . . . . . 132 SER CA . 27780 1 269 . 1 1 25 25 SER CB C 13 63.748 0.064 . 1 . . . . . 132 SER CB . 27780 1 270 . 1 1 25 25 SER N N 15 116.324 0.042 . 1 . . . . . 132 SER N . 27780 1 271 . 1 1 26 26 GLN H H 1 8.320 0.002 . 1 . . . . . 133 GLN H . 27780 1 272 . 1 1 26 26 GLN HA H 1 4.299 0.002 . 1 . . . . . 133 GLN HA . 27780 1 273 . 1 1 26 26 GLN HB2 H 1 1.975 0.005 . 2 . . . . . 133 GLN HB2 . 27780 1 274 . 1 1 26 26 GLN HB3 H 1 2.140 0.004 . 2 . . . . . 133 GLN HB3 . 27780 1 275 . 1 1 26 26 GLN HG2 H 1 2.363 0.001 . 1 . . . . . 133 GLN HG2 . 27780 1 276 . 1 1 26 26 GLN HG3 H 1 2.363 0.001 . 1 . . . . . 133 GLN HG3 . 27780 1 277 . 1 1 26 26 GLN HE21 H 1 7.531 0.004 . 1 . . . . . 133 GLN HE21 . 27780 1 278 . 1 1 26 26 GLN HE22 H 1 6.859 0.003 . 1 . . . . . 133 GLN HE22 . 27780 1 279 . 1 1 26 26 GLN C C 13 176.429 0.000 . 1 . . . . . 133 GLN C . 27780 1 280 . 1 1 26 26 GLN CA C 13 56.204 0.039 . 1 . . . . . 133 GLN CA . 27780 1 281 . 1 1 26 26 GLN CB C 13 29.403 0.064 . 1 . . . . . 133 GLN CB . 27780 1 282 . 1 1 26 26 GLN CG C 13 33.906 0.067 . 1 . . . . . 133 GLN CG . 27780 1 283 . 1 1 26 26 GLN N N 15 121.548 0.052 . 1 . . . . . 133 GLN N . 27780 1 284 . 1 1 26 26 GLN NE2 N 15 112.583 0.011 . 1 . . . . . 133 GLN NE2 . 27780 1 285 . 1 1 27 27 GLY H H 1 8.317 0.002 . 1 . . . . . 134 GLY H . 27780 1 286 . 1 1 27 27 GLY HA2 H 1 3.892 0.006 . 2 . . . . . 134 GLY HA2 . 27780 1 287 . 1 1 27 27 GLY HA3 H 1 3.916 0.012 . 2 . . . . . 134 GLY HA3 . 27780 1 288 . 1 1 27 27 GLY C C 13 173.776 0.000 . 1 . . . . . 134 GLY C . 27780 1 289 . 1 1 27 27 GLY CA C 13 45.209 0.041 . 1 . . . . . 134 GLY CA . 27780 1 290 . 1 1 27 27 GLY N N 15 109.156 0.050 . 1 . . . . . 134 GLY N . 27780 1 291 . 1 1 28 28 LEU H H 1 8.074 0.002 . 1 . . . . . 135 LEU H . 27780 1 292 . 1 1 28 28 LEU HA H 1 4.576 0.008 . 1 . . . . . 135 LEU HA . 27780 1 293 . 1 1 28 28 LEU HB2 H 1 1.537 0.014 . 2 . . . . . 135 LEU HB2 . 27780 1 294 . 1 1 28 28 LEU HB3 H 1 1.568 0.018 . 2 . . . . . 135 LEU HB3 . 27780 1 295 . 1 1 28 28 LEU HG H 1 1.626 0.008 . 1 . . . . . 135 LEU HG . 27780 1 296 . 1 1 28 28 LEU HD11 H 1 0.887 0.000 . 2 . . . . . 135 LEU HD11 . 27780 1 297 . 1 1 28 28 LEU HD12 H 1 0.887 0.000 . 2 . . . . . 135 LEU HD12 . 27780 1 298 . 1 1 28 28 LEU HD13 H 1 0.887 0.000 . 2 . . . . . 135 LEU HD13 . 27780 1 299 . 1 1 28 28 LEU HD21 H 1 0.909 0.000 . 2 . . . . . 135 LEU HD21 . 27780 1 300 . 1 1 28 28 LEU HD22 H 1 0.909 0.000 . 2 . . . . . 135 LEU HD22 . 27780 1 301 . 1 1 28 28 LEU HD23 H 1 0.909 0.000 . 2 . . . . . 135 LEU HD23 . 27780 1 302 . 1 1 28 28 LEU CA C 13 53.238 0.008 . 1 . . . . . 135 LEU CA . 27780 1 303 . 1 1 28 28 LEU CB C 13 41.709 0.010 . 1 . . . . . 135 LEU CB . 27780 1 304 . 1 1 28 28 LEU CG C 13 26.571 0.000 . 1 . . . . . 135 LEU CG . 27780 1 305 . 1 1 28 28 LEU CD1 C 13 23.149 0.000 . 2 . . . . . 135 LEU CD1 . 27780 1 306 . 1 1 28 28 LEU CD2 C 13 26.514 0.000 . 2 . . . . . 135 LEU CD2 . 27780 1 307 . 1 1 28 28 LEU N N 15 122.092 0.000 . 1 . . . . . 135 LEU N . 27780 1 308 . 1 1 29 29 PRO HA H 1 4.471 0.003 . 1 . . . . . 136 PRO HA . 27780 1 309 . 1 1 29 29 PRO HB2 H 1 1.892 0.004 . 2 . . . . . 136 PRO HB2 . 27780 1 310 . 1 1 29 29 PRO HB3 H 1 2.279 0.004 . 2 . . . . . 136 PRO HB3 . 27780 1 311 . 1 1 29 29 PRO HG2 H 1 2.015 0.001 . 1 . . . . . 136 PRO HG2 . 27780 1 312 . 1 1 29 29 PRO HG3 H 1 2.015 0.001 . 1 . . . . . 136 PRO HG3 . 27780 1 313 . 1 1 29 29 PRO HD2 H 1 3.627 0.001 . 2 . . . . . 136 PRO HD2 . 27780 1 314 . 1 1 29 29 PRO HD3 H 1 3.840 0.005 . 2 . . . . . 136 PRO HD3 . 27780 1 315 . 1 1 29 29 PRO C C 13 177.119 0.000 . 1 . . . . . 136 PRO C . 27780 1 316 . 1 1 29 29 PRO CA C 13 63.258 0.012 . 1 . . . . . 136 PRO CA . 27780 1 317 . 1 1 29 29 PRO CB C 13 32.081 0.025 . 1 . . . . . 136 PRO CB . 27780 1 318 . 1 1 29 29 PRO CG C 13 27.528 0.019 . 1 . . . . . 136 PRO CG . 27780 1 319 . 1 1 29 29 PRO CD C 13 50.594 0.034 . 1 . . . . . 136 PRO CD . 27780 1 320 . 1 1 30 30 THR H H 1 8.197 0.003 . 1 . . . . . 137 THR H . 27780 1 321 . 1 1 30 30 THR HA H 1 4.228 0.005 . 1 . . . . . 137 THR HA . 27780 1 322 . 1 1 30 30 THR HB H 1 4.172 0.005 . 1 . . . . . 137 THR HB . 27780 1 323 . 1 1 30 30 THR HG21 H 1 1.192 0.002 . 1 . . . . . 137 THR HG21 . 27780 1 324 . 1 1 30 30 THR HG22 H 1 1.192 0.002 . 1 . . . . . 137 THR HG22 . 27780 1 325 . 1 1 30 30 THR HG23 H 1 1.192 0.002 . 1 . . . . . 137 THR HG23 . 27780 1 326 . 1 1 30 30 THR C C 13 174.676 0.000 . 1 . . . . . 137 THR C . 27780 1 327 . 1 1 30 30 THR CA C 13 62.250 0.075 . 1 . . . . . 137 THR CA . 27780 1 328 . 1 1 30 30 THR CB C 13 69.752 0.017 . 1 . . . . . 137 THR CB . 27780 1 329 . 1 1 30 30 THR CG2 C 13 21.774 0.060 . 1 . . . . . 137 THR CG2 . 27780 1 330 . 1 1 30 30 THR N N 15 114.359 0.054 . 1 . . . . . 137 THR N . 27780 1 331 . 1 1 31 31 MET H H 1 8.337 0.003 . 1 . . . . . 138 MET H . 27780 1 332 . 1 1 31 31 MET HA H 1 4.444 0.003 . 1 . . . . . 138 MET HA . 27780 1 333 . 1 1 31 31 MET HB2 H 1 1.982 0.009 . 2 . . . . . 138 MET HB2 . 27780 1 334 . 1 1 31 31 MET HB3 H 1 2.054 0.012 . 2 . . . . . 138 MET HB3 . 27780 1 335 . 1 1 31 31 MET HG2 H 1 2.513 0.002 . 2 . . . . . 138 MET HG2 . 27780 1 336 . 1 1 31 31 MET HG3 H 1 2.570 0.005 . 2 . . . . . 138 MET HG3 . 27780 1 337 . 1 1 31 31 MET HE1 H 1 2.067 0.000 . 1 . . . . . 138 MET HE1 . 27780 1 338 . 1 1 31 31 MET HE2 H 1 2.067 0.000 . 1 . . . . . 138 MET HE2 . 27780 1 339 . 1 1 31 31 MET HE3 H 1 2.067 0.000 . 1 . . . . . 138 MET HE3 . 27780 1 340 . 1 1 31 31 MET C C 13 175.718 0.000 . 1 . . . . . 138 MET C . 27780 1 341 . 1 1 31 31 MET CA C 13 55.432 0.032 . 1 . . . . . 138 MET CA . 27780 1 342 . 1 1 31 31 MET CB C 13 32.991 0.041 . 1 . . . . . 138 MET CB . 27780 1 343 . 1 1 31 31 MET CG C 13 31.966 0.012 . 1 . . . . . 138 MET CG . 27780 1 344 . 1 1 31 31 MET CE C 13 16.998 0.000 . 1 . . . . . 138 MET CE . 27780 1 345 . 1 1 31 31 MET N N 15 122.620 0.043 . 1 . . . . . 138 MET N . 27780 1 346 . 1 1 32 32 ALA H H 1 8.281 0.003 . 1 . . . . . 139 ALA H . 27780 1 347 . 1 1 32 32 ALA HA H 1 4.255 0.009 . 1 . . . . . 139 ALA HA . 27780 1 348 . 1 1 32 32 ALA HB1 H 1 1.339 0.002 . 1 . . . . . 139 ALA HB1 . 27780 1 349 . 1 1 32 32 ALA HB2 H 1 1.339 0.002 . 1 . . . . . 139 ALA HB2 . 27780 1 350 . 1 1 32 32 ALA HB3 H 1 1.339 0.002 . 1 . . . . . 139 ALA HB3 . 27780 1 351 . 1 1 32 32 ALA C C 13 178.531 0.000 . 1 . . . . . 139 ALA C . 27780 1 352 . 1 1 32 32 ALA CA C 13 52.519 0.082 . 1 . . . . . 139 ALA CA . 27780 1 353 . 1 1 32 32 ALA CB C 13 19.366 0.061 . 1 . . . . . 139 ALA CB . 27780 1 354 . 1 1 32 32 ALA N N 15 125.496 0.047 . 1 . . . . . 139 ALA N . 27780 1 355 . 1 1 33 33 ARG H H 1 8.288 0.002 . 1 . . . . . 140 ARG H . 27780 1 356 . 1 1 33 33 ARG HA H 1 4.288 0.004 . 1 . . . . . 140 ARG HA . 27780 1 357 . 1 1 33 33 ARG HB2 H 1 1.744 0.010 . 2 . . . . . 140 ARG HB2 . 27780 1 358 . 1 1 33 33 ARG HB3 H 1 1.789 0.025 . 2 . . . . . 140 ARG HB3 . 27780 1 359 . 1 1 33 33 ARG HG2 H 1 1.608 0.001 . 1 . . . . . 140 ARG HG2 . 27780 1 360 . 1 1 33 33 ARG HG3 H 1 1.608 0.001 . 1 . . . . . 140 ARG HG3 . 27780 1 361 . 1 1 33 33 ARG HD2 H 1 3.179 0.002 . 1 . . . . . 140 ARG HD2 . 27780 1 362 . 1 1 33 33 ARG HD3 H 1 3.179 0.002 . 1 . . . . . 140 ARG HD3 . 27780 1 363 . 1 1 33 33 ARG C C 13 176.227 0.000 . 1 . . . . . 140 ARG C . 27780 1 364 . 1 1 33 33 ARG CA C 13 55.951 0.051 . 1 . . . . . 140 ARG CA . 27780 1 365 . 1 1 33 33 ARG CB C 13 31.070 0.109 . 1 . . . . . 140 ARG CB . 27780 1 366 . 1 1 33 33 ARG CG C 13 27.230 0.018 . 1 . . . . . 140 ARG CG . 27780 1 367 . 1 1 33 33 ARG CD C 13 43.415 0.057 . 1 . . . . . 140 ARG CD . 27780 1 368 . 1 1 33 33 ARG N N 15 120.794 0.082 . 1 . . . . . 140 ARG N . 27780 1 369 . 1 1 34 34 ARG H H 1 8.500 0.003 . 1 . . . . . 141 ARG H . 27780 1 370 . 1 1 34 34 ARG HA H 1 4.291 0.002 . 1 . . . . . 141 ARG HA . 27780 1 371 . 1 1 34 34 ARG HB2 H 1 1.740 0.004 . 2 . . . . . 141 ARG HB2 . 27780 1 372 . 1 1 34 34 ARG HB3 H 1 1.837 0.000 . 2 . . . . . 141 ARG HB3 . 27780 1 373 . 1 1 34 34 ARG HG2 H 1 1.600 0.006 . 1 . . . . . 141 ARG HG2 . 27780 1 374 . 1 1 34 34 ARG HG3 H 1 1.600 0.006 . 1 . . . . . 141 ARG HG3 . 27780 1 375 . 1 1 34 34 ARG HD2 H 1 3.183 0.002 . 1 . . . . . 141 ARG HD2 . 27780 1 376 . 1 1 34 34 ARG HD3 H 1 3.183 0.002 . 1 . . . . . 141 ARG HD3 . 27780 1 377 . 1 1 34 34 ARG C C 13 176.163 0.000 . 1 . . . . . 141 ARG C . 27780 1 378 . 1 1 34 34 ARG CA C 13 56.210 0.015 . 1 . . . . . 141 ARG CA . 27780 1 379 . 1 1 34 34 ARG CB C 13 31.204 0.068 . 1 . . . . . 141 ARG CB . 27780 1 380 . 1 1 34 34 ARG CG C 13 27.262 0.016 . 1 . . . . . 141 ARG CG . 27780 1 381 . 1 1 34 34 ARG CD C 13 43.431 0.013 . 1 . . . . . 141 ARG CD . 27780 1 382 . 1 1 34 34 ARG N N 15 122.990 0.044 . 1 . . . . . 141 ARG N . 27780 1 383 . 1 1 35 35 ASN H H 1 8.591 0.003 . 1 . . . . . 142 ASN H . 27780 1 384 . 1 1 35 35 ASN HA H 1 4.659 0.007 . 1 . . . . . 142 ASN HA . 27780 1 385 . 1 1 35 35 ASN HB2 H 1 2.717 0.002 . 2 . . . . . 142 ASN HB2 . 27780 1 386 . 1 1 35 35 ASN HB3 H 1 2.810 0.005 . 2 . . . . . 142 ASN HB3 . 27780 1 387 . 1 1 35 35 ASN HD21 H 1 6.905 0.001 . 1 . . . . . 142 ASN HD21 . 27780 1 388 . 1 1 35 35 ASN HD22 H 1 7.631 0.001 . 1 . . . . . 142 ASN HD22 . 27780 1 389 . 1 1 35 35 ASN C C 13 174.963 0.000 . 1 . . . . . 142 ASN C . 27780 1 390 . 1 1 35 35 ASN CA C 13 53.480 0.033 . 1 . . . . . 142 ASN CA . 27780 1 391 . 1 1 35 35 ASN CB C 13 38.962 0.037 . 1 . . . . . 142 ASN CB . 27780 1 392 . 1 1 35 35 ASN N N 15 120.366 0.079 . 1 . . . . . 142 ASN N . 27780 1 393 . 1 1 35 35 ASN ND2 N 15 112.811 0.019 . 1 . . . . . 142 ASN ND2 . 27780 1 394 . 1 1 36 36 ASP H H 1 8.335 0.001 . 1 . . . . . 143 ASP H . 27780 1 395 . 1 1 36 36 ASP HA H 1 4.567 0.010 . 1 . . . . . 143 ASP HA . 27780 1 396 . 1 1 36 36 ASP HB2 H 1 2.601 0.002 . 2 . . . . . 143 ASP HB2 . 27780 1 397 . 1 1 36 36 ASP HB3 H 1 2.675 0.022 . 2 . . . . . 143 ASP HB3 . 27780 1 398 . 1 1 36 36 ASP C C 13 175.809 0.000 . 1 . . . . . 143 ASP C . 27780 1 399 . 1 1 36 36 ASP CA C 13 54.628 0.057 . 1 . . . . . 143 ASP CA . 27780 1 400 . 1 1 36 36 ASP CB C 13 41.050 0.026 . 1 . . . . . 143 ASP CB . 27780 1 401 . 1 1 36 36 ASP N N 15 120.274 0.061 . 1 . . . . . 143 ASP N . 27780 1 402 . 1 1 37 37 ASP H H 1 8.218 0.009 . 1 . . . . . 144 ASP H . 27780 1 403 . 1 1 37 37 ASP HA H 1 4.570 0.004 . 1 . . . . . 144 ASP HA . 27780 1 404 . 1 1 37 37 ASP HB2 H 1 2.597 0.001 . 2 . . . . . 144 ASP HB2 . 27780 1 405 . 1 1 37 37 ASP HB3 H 1 2.698 0.005 . 2 . . . . . 144 ASP HB3 . 27780 1 406 . 1 1 37 37 ASP C C 13 176.343 0.000 . 1 . . . . . 144 ASP C . 27780 1 407 . 1 1 37 37 ASP CA C 13 54.592 0.039 . 1 . . . . . 144 ASP CA . 27780 1 408 . 1 1 37 37 ASP CB C 13 41.214 0.042 . 1 . . . . . 144 ASP CB . 27780 1 409 . 1 1 37 37 ASP N N 15 119.946 0.082 . 1 . . . . . 144 ASP N . 27780 1 410 . 1 1 38 38 ILE H H 1 8.038 0.002 . 1 . . . . . 145 ILE H . 27780 1 411 . 1 1 38 38 ILE HA H 1 4.180 0.004 . 1 . . . . . 145 ILE HA . 27780 1 412 . 1 1 38 38 ILE HB H 1 1.901 0.004 . 1 . . . . . 145 ILE HB . 27780 1 413 . 1 1 38 38 ILE HG12 H 1 1.147 0.003 . 2 . . . . . 145 ILE HG12 . 27780 1 414 . 1 1 38 38 ILE HG13 H 1 1.407 0.020 . 2 . . . . . 145 ILE HG13 . 27780 1 415 . 1 1 38 38 ILE HG21 H 1 0.883 0.004 . 1 . . . . . 145 ILE HG21 . 27780 1 416 . 1 1 38 38 ILE HG22 H 1 0.883 0.004 . 1 . . . . . 145 ILE HG22 . 27780 1 417 . 1 1 38 38 ILE HG23 H 1 0.883 0.004 . 1 . . . . . 145 ILE HG23 . 27780 1 418 . 1 1 38 38 ILE HD11 H 1 0.834 0.004 . 1 . . . . . 145 ILE HD11 . 27780 1 419 . 1 1 38 38 ILE HD12 H 1 0.834 0.004 . 1 . . . . . 145 ILE HD12 . 27780 1 420 . 1 1 38 38 ILE HD13 H 1 0.834 0.004 . 1 . . . . . 145 ILE HD13 . 27780 1 421 . 1 1 38 38 ILE C C 13 176.439 0.000 . 1 . . . . . 145 ILE C . 27780 1 422 . 1 1 38 38 ILE CA C 13 61.376 0.060 . 1 . . . . . 145 ILE CA . 27780 1 423 . 1 1 38 38 ILE CB C 13 38.747 0.056 . 1 . . . . . 145 ILE CB . 27780 1 424 . 1 1 38 38 ILE CG1 C 13 27.268 0.028 . 1 . . . . . 145 ILE CG1 . 27780 1 425 . 1 1 38 38 ILE CG2 C 13 17.728 0.093 . 1 . . . . . 145 ILE CG2 . 27780 1 426 . 1 1 38 38 ILE CD1 C 13 13.252 0.074 . 1 . . . . . 145 ILE CD1 . 27780 1 427 . 1 1 38 38 ILE N N 15 120.551 0.064 . 1 . . . . . 145 ILE N . 27780 1 428 . 1 1 39 39 SER H H 1 8.424 0.003 . 1 . . . . . 146 SER H . 27780 1 429 . 1 1 39 39 SER HA H 1 4.396 0.005 . 1 . . . . . 146 SER HA . 27780 1 430 . 1 1 39 39 SER HB2 H 1 3.836 0.003 . 2 . . . . . 146 SER HB2 . 27780 1 431 . 1 1 39 39 SER HB3 H 1 3.839 0.005 . 2 . . . . . 146 SER HB3 . 27780 1 432 . 1 1 39 39 SER C C 13 174.675 0.000 . 1 . . . . . 146 SER C . 27780 1 433 . 1 1 39 39 SER CA C 13 58.818 0.087 . 1 . . . . . 146 SER CA . 27780 1 434 . 1 1 39 39 SER CB C 13 63.903 0.013 . 1 . . . . . 146 SER CB . 27780 1 435 . 1 1 39 39 SER N N 15 119.841 0.074 . 1 . . . . . 146 SER N . 27780 1 436 . 1 1 40 40 GLU H H 1 8.442 0.003 . 1 . . . . . 147 GLU H . 27780 1 437 . 1 1 40 40 GLU HA H 1 4.285 0.005 . 1 . . . . . 147 GLU HA . 27780 1 438 . 1 1 40 40 GLU HB2 H 1 1.909 0.005 . 2 . . . . . 147 GLU HB2 . 27780 1 439 . 1 1 40 40 GLU HB3 H 1 2.054 0.005 . 2 . . . . . 147 GLU HB3 . 27780 1 440 . 1 1 40 40 GLU HG2 H 1 2.207 0.000 . 2 . . . . . 147 GLU HG2 . 27780 1 441 . 1 1 40 40 GLU HG3 H 1 2.265 0.000 . 2 . . . . . 147 GLU HG3 . 27780 1 442 . 1 1 40 40 GLU C C 13 176.398 0.000 . 1 . . . . . 147 GLU C . 27780 1 443 . 1 1 40 40 GLU CA C 13 56.747 0.040 . 1 . . . . . 147 GLU CA . 27780 1 444 . 1 1 40 40 GLU CB C 13 30.258 0.013 . 1 . . . . . 147 GLU CB . 27780 1 445 . 1 1 40 40 GLU CG C 13 36.351 0.058 . 1 . . . . . 147 GLU CG . 27780 1 446 . 1 1 40 40 GLU N N 15 122.791 0.041 . 1 . . . . . 147 GLU N . 27780 1 447 . 1 1 41 41 LEU H H 1 8.134 0.003 . 1 . . . . . 148 LEU H . 27780 1 448 . 1 1 41 41 LEU HA H 1 4.286 0.001 . 1 . . . . . 148 LEU HA . 27780 1 449 . 1 1 41 41 LEU HB2 H 1 1.576 0.017 . 2 . . . . . 148 LEU HB2 . 27780 1 450 . 1 1 41 41 LEU HB3 H 1 1.599 0.018 . 2 . . . . . 148 LEU HB3 . 27780 1 451 . 1 1 41 41 LEU HG H 1 1.676 0.000 . 1 . . . . . 148 LEU HG . 27780 1 452 . 1 1 41 41 LEU HD11 H 1 0.879 0.001 . 2 . . . . . 148 LEU HD11 . 27780 1 453 . 1 1 41 41 LEU HD12 H 1 0.879 0.001 . 2 . . . . . 148 LEU HD12 . 27780 1 454 . 1 1 41 41 LEU HD13 H 1 0.879 0.001 . 2 . . . . . 148 LEU HD13 . 27780 1 455 . 1 1 41 41 LEU HD21 H 1 0.889 0.010 . 2 . . . . . 148 LEU HD21 . 27780 1 456 . 1 1 41 41 LEU HD22 H 1 0.889 0.010 . 2 . . . . . 148 LEU HD22 . 27780 1 457 . 1 1 41 41 LEU HD23 H 1 0.889 0.010 . 2 . . . . . 148 LEU HD23 . 27780 1 458 . 1 1 41 41 LEU C C 13 177.440 0.000 . 1 . . . . . 148 LEU C . 27780 1 459 . 1 1 41 41 LEU CA C 13 55.451 0.078 . 1 . . . . . 148 LEU CA . 27780 1 460 . 1 1 41 41 LEU CB C 13 42.451 0.021 . 1 . . . . . 148 LEU CB . 27780 1 461 . 1 1 41 41 LEU CG C 13 26.956 0.018 . 1 . . . . . 148 LEU CG . 27780 1 462 . 1 1 41 41 LEU CD1 C 13 23.503 0.027 . 2 . . . . . 148 LEU CD1 . 27780 1 463 . 1 1 41 41 LEU CD2 C 13 24.959 0.037 . 2 . . . . . 148 LEU CD2 . 27780 1 464 . 1 1 41 41 LEU N N 15 122.193 0.044 . 1 . . . . . 148 LEU N . 27780 1 465 . 1 1 42 42 GLU H H 1 8.316 0.003 . 1 . . . . . 149 GLU H . 27780 1 466 . 1 1 42 42 GLU HA H 1 4.204 0.004 . 1 . . . . . 149 GLU HA . 27780 1 467 . 1 1 42 42 GLU HB2 H 1 1.900 0.006 . 2 . . . . . 149 GLU HB2 . 27780 1 468 . 1 1 42 42 GLU HB3 H 1 1.988 0.003 . 2 . . . . . 149 GLU HB3 . 27780 1 469 . 1 1 42 42 GLU HG2 H 1 2.215 0.003 . 1 . . . . . 149 GLU HG2 . 27780 1 470 . 1 1 42 42 GLU HG3 H 1 2.215 0.003 . 1 . . . . . 149 GLU HG3 . 27780 1 471 . 1 1 42 42 GLU C C 13 175.988 0.000 . 1 . . . . . 149 GLU C . 27780 1 472 . 1 1 42 42 GLU CA C 13 56.873 0.021 . 1 . . . . . 149 GLU CA . 27780 1 473 . 1 1 42 42 GLU CB C 13 30.659 0.042 . 1 . . . . . 149 GLU CB . 27780 1 474 . 1 1 42 42 GLU CG C 13 36.398 0.050 . 1 . . . . . 149 GLU CG . 27780 1 475 . 1 1 42 42 GLU N N 15 121.498 0.078 . 1 . . . . . 149 GLU N . 27780 1 476 . 1 1 43 43 ASP H H 1 8.373 0.002 . 1 . . . . . 150 ASP H . 27780 1 477 . 1 1 43 43 ASP HA H 1 4.592 0.005 . 1 . . . . . 150 ASP HA . 27780 1 478 . 1 1 43 43 ASP HB2 H 1 2.580 0.004 . 2 . . . . . 150 ASP HB2 . 27780 1 479 . 1 1 43 43 ASP HB3 H 1 2.753 0.004 . 2 . . . . . 150 ASP HB3 . 27780 1 480 . 1 1 43 43 ASP C C 13 176.442 0.000 . 1 . . . . . 150 ASP C . 27780 1 481 . 1 1 43 43 ASP CA C 13 54.242 0.062 . 1 . . . . . 150 ASP CA . 27780 1 482 . 1 1 43 43 ASP CB C 13 41.191 0.068 . 1 . . . . . 150 ASP CB . 27780 1 483 . 1 1 43 43 ASP N N 15 121.488 0.056 . 1 . . . . . 150 ASP N . 27780 1 484 . 1 1 44 44 LEU H H 1 8.358 0.003 . 1 . . . . . 151 LEU H . 27780 1 485 . 1 1 44 44 LEU HA H 1 4.335 0.004 . 1 . . . . . 151 LEU HA . 27780 1 486 . 1 1 44 44 LEU HB2 H 1 1.645 0.007 . 1 . . . . . 151 LEU HB2 . 27780 1 487 . 1 1 44 44 LEU HB3 H 1 1.645 0.007 . 1 . . . . . 151 LEU HB3 . 27780 1 488 . 1 1 44 44 LEU HG H 1 1.627 0.001 . 1 . . . . . 151 LEU HG . 27780 1 489 . 1 1 44 44 LEU HD11 H 1 0.831 0.002 . 2 . . . . . 151 LEU HD11 . 27780 1 490 . 1 1 44 44 LEU HD12 H 1 0.831 0.002 . 2 . . . . . 151 LEU HD12 . 27780 1 491 . 1 1 44 44 LEU HD13 H 1 0.831 0.002 . 2 . . . . . 151 LEU HD13 . 27780 1 492 . 1 1 44 44 LEU HD21 H 1 0.901 0.002 . 2 . . . . . 151 LEU HD21 . 27780 1 493 . 1 1 44 44 LEU HD22 H 1 0.901 0.002 . 2 . . . . . 151 LEU HD22 . 27780 1 494 . 1 1 44 44 LEU HD23 H 1 0.901 0.002 . 2 . . . . . 151 LEU HD23 . 27780 1 495 . 1 1 44 44 LEU C C 13 178.111 0.000 . 1 . . . . . 151 LEU C . 27780 1 496 . 1 1 44 44 LEU CA C 13 55.597 0.043 . 1 . . . . . 151 LEU CA . 27780 1 497 . 1 1 44 44 LEU CB C 13 41.883 0.048 . 1 . . . . . 151 LEU CB . 27780 1 498 . 1 1 44 44 LEU CG C 13 26.809 0.038 . 1 . . . . . 151 LEU CG . 27780 1 499 . 1 1 44 44 LEU CD1 C 13 23.274 0.097 . 2 . . . . . 151 LEU CD1 . 27780 1 500 . 1 1 44 44 LEU CD2 C 13 25.094 0.010 . 2 . . . . . 151 LEU CD2 . 27780 1 501 . 1 1 44 44 LEU N N 15 123.975 0.048 . 1 . . . . . 151 LEU N . 27780 1 502 . 1 1 45 45 SER H H 1 8.396 0.002 . 1 . . . . . 152 SER H . 27780 1 503 . 1 1 45 45 SER HA H 1 4.290 0.005 . 1 . . . . . 152 SER HA . 27780 1 504 . 1 1 45 45 SER HB2 H 1 3.886 0.004 . 1 . . . . . 152 SER HB2 . 27780 1 505 . 1 1 45 45 SER HB3 H 1 3.886 0.004 . 1 . . . . . 152 SER HB3 . 27780 1 506 . 1 1 45 45 SER C C 13 175.229 0.000 . 1 . . . . . 152 SER C . 27780 1 507 . 1 1 45 45 SER CA C 13 60.037 0.038 . 1 . . . . . 152 SER CA . 27780 1 508 . 1 1 45 45 SER CB C 13 63.553 0.017 . 1 . . . . . 152 SER CB . 27780 1 509 . 1 1 45 45 SER N N 15 116.724 0.043 . 1 . . . . . 152 SER N . 27780 1 510 . 1 1 46 46 GLU H H 1 8.348 0.002 . 1 . . . . . 153 GLU H . 27780 1 511 . 1 1 46 46 GLU HA H 1 4.267 0.007 . 1 . . . . . 153 GLU HA . 27780 1 512 . 1 1 46 46 GLU HB2 H 1 1.963 0.005 . 2 . . . . . 153 GLU HB2 . 27780 1 513 . 1 1 46 46 GLU HB3 H 1 2.083 0.005 . 2 . . . . . 153 GLU HB3 . 27780 1 514 . 1 1 46 46 GLU HG2 H 1 2.224 0.000 . 2 . . . . . 153 GLU HG2 . 27780 1 515 . 1 1 46 46 GLU HG3 H 1 2.287 0.001 . 2 . . . . . 153 GLU HG3 . 27780 1 516 . 1 1 46 46 GLU C C 13 177.237 0.000 . 1 . . . . . 153 GLU C . 27780 1 517 . 1 1 46 46 GLU CA C 13 57.366 0.027 . 1 . . . . . 153 GLU CA . 27780 1 518 . 1 1 46 46 GLU CB C 13 30.032 0.060 . 1 . . . . . 153 GLU CB . 27780 1 519 . 1 1 46 46 GLU CG C 13 36.401 0.072 . 1 . . . . . 153 GLU CG . 27780 1 520 . 1 1 46 46 GLU N N 15 122.188 0.034 . 1 . . . . . 153 GLU N . 27780 1 521 . 1 1 47 47 LEU H H 1 8.013 0.002 . 1 . . . . . 154 LEU H . 27780 1 522 . 1 1 47 47 LEU HA H 1 4.218 0.005 . 1 . . . . . 154 LEU HA . 27780 1 523 . 1 1 47 47 LEU HB2 H 1 1.718 0.005 . 2 . . . . . 154 LEU HB2 . 27780 1 524 . 1 1 47 47 LEU HB3 H 1 1.715 0.001 . 2 . . . . . 154 LEU HB3 . 27780 1 525 . 1 1 47 47 LEU HG H 1 1.584 0.001 . 1 . . . . . 154 LEU HG . 27780 1 526 . 1 1 47 47 LEU HD11 H 1 0.853 0.012 . 2 . . . . . 154 LEU HD11 . 27780 1 527 . 1 1 47 47 LEU HD12 H 1 0.853 0.012 . 2 . . . . . 154 LEU HD12 . 27780 1 528 . 1 1 47 47 LEU HD13 H 1 0.853 0.012 . 2 . . . . . 154 LEU HD13 . 27780 1 529 . 1 1 47 47 LEU HD21 H 1 0.918 0.012 . 2 . . . . . 154 LEU HD21 . 27780 1 530 . 1 1 47 47 LEU HD22 H 1 0.918 0.012 . 2 . . . . . 154 LEU HD22 . 27780 1 531 . 1 1 47 47 LEU HD23 H 1 0.918 0.012 . 2 . . . . . 154 LEU HD23 . 27780 1 532 . 1 1 47 47 LEU C C 13 178.519 0.000 . 1 . . . . . 154 LEU C . 27780 1 533 . 1 1 47 47 LEU CA C 13 56.344 0.060 . 1 . . . . . 154 LEU CA . 27780 1 534 . 1 1 47 47 LEU CB C 13 42.178 0.055 . 1 . . . . . 154 LEU CB . 27780 1 535 . 1 1 47 47 LEU CG C 13 26.921 0.025 . 1 . . . . . 154 LEU CG . 27780 1 536 . 1 1 47 47 LEU CD1 C 13 23.526 0.052 . 2 . . . . . 154 LEU CD1 . 27780 1 537 . 1 1 47 47 LEU CD2 C 13 25.250 0.025 . 2 . . . . . 154 LEU CD2 . 27780 1 538 . 1 1 47 47 LEU N N 15 121.310 0.055 . 1 . . . . . 154 LEU N . 27780 1 539 . 1 1 48 48 GLU H H 1 8.287 0.002 . 1 . . . . . 155 GLU H . 27780 1 540 . 1 1 48 48 GLU HA H 1 4.128 0.011 . 1 . . . . . 155 GLU HA . 27780 1 541 . 1 1 48 48 GLU HB2 H 1 2.011 0.004 . 1 . . . . . 155 GLU HB2 . 27780 1 542 . 1 1 48 48 GLU HB3 H 1 2.011 0.004 . 1 . . . . . 155 GLU HB3 . 27780 1 543 . 1 1 48 48 GLU HG2 H 1 2.289 0.004 . 1 . . . . . 155 GLU HG2 . 27780 1 544 . 1 1 48 48 GLU HG3 H 1 2.289 0.004 . 1 . . . . . 155 GLU HG3 . 27780 1 545 . 1 1 48 48 GLU C C 13 177.196 0.000 . 1 . . . . . 155 GLU C . 27780 1 546 . 1 1 48 48 GLU CA C 13 57.928 0.041 . 1 . . . . . 155 GLU CA . 27780 1 547 . 1 1 48 48 GLU CB C 13 30.087 0.055 . 1 . . . . . 155 GLU CB . 27780 1 548 . 1 1 48 48 GLU CG C 13 36.392 0.034 . 1 . . . . . 155 GLU CG . 27780 1 549 . 1 1 48 48 GLU N N 15 120.942 0.081 . 1 . . . . . 155 GLU N . 27780 1 550 . 1 1 49 49 ASP H H 1 8.286 0.005 . 1 . . . . . 156 ASP H . 27780 1 551 . 1 1 49 49 ASP HA H 1 4.522 0.006 . 1 . . . . . 156 ASP HA . 27780 1 552 . 1 1 49 49 ASP HB2 H 1 2.689 0.007 . 1 . . . . . 156 ASP HB2 . 27780 1 553 . 1 1 49 49 ASP HB3 H 1 2.689 0.007 . 1 . . . . . 156 ASP HB3 . 27780 1 554 . 1 1 49 49 ASP C C 13 177.597 0.000 . 1 . . . . . 156 ASP C . 27780 1 555 . 1 1 49 49 ASP CA C 13 55.448 0.028 . 1 . . . . . 156 ASP CA . 27780 1 556 . 1 1 49 49 ASP CB C 13 40.928 0.004 . 1 . . . . . 156 ASP CB . 27780 1 557 . 1 1 49 49 ASP N N 15 120.937 0.051 . 1 . . . . . 156 ASP N . 27780 1 558 . 1 1 50 50 LEU H H 1 8.123 0.010 . 1 . . . . . 157 LEU H . 27780 1 559 . 1 1 50 50 LEU HA H 1 4.272 0.006 . 1 . . . . . 157 LEU HA . 27780 1 560 . 1 1 50 50 LEU HB2 H 1 1.654 0.002 . 2 . . . . . 157 LEU HB2 . 27780 1 561 . 1 1 50 50 LEU HB3 H 1 1.726 0.015 . 2 . . . . . 157 LEU HB3 . 27780 1 562 . 1 1 50 50 LEU HD11 H 1 0.879 0.000 . 2 . . . . . 157 LEU HD11 . 27780 1 563 . 1 1 50 50 LEU HD12 H 1 0.879 0.000 . 2 . . . . . 157 LEU HD12 . 27780 1 564 . 1 1 50 50 LEU HD13 H 1 0.879 0.000 . 2 . . . . . 157 LEU HD13 . 27780 1 565 . 1 1 50 50 LEU HD21 H 1 0.937 0.000 . 2 . . . . . 157 LEU HD21 . 27780 1 566 . 1 1 50 50 LEU HD22 H 1 0.937 0.000 . 2 . . . . . 157 LEU HD22 . 27780 1 567 . 1 1 50 50 LEU HD23 H 1 0.937 0.000 . 2 . . . . . 157 LEU HD23 . 27780 1 568 . 1 1 50 50 LEU C C 13 178.360 0.000 . 1 . . . . . 157 LEU C . 27780 1 569 . 1 1 50 50 LEU CA C 13 56.590 0.034 . 1 . . . . . 157 LEU CA . 27780 1 570 . 1 1 50 50 LEU CB C 13 42.042 0.075 . 1 . . . . . 157 LEU CB . 27780 1 571 . 1 1 50 50 LEU CG C 13 26.877 0.000 . 1 . . . . . 157 LEU CG . 27780 1 572 . 1 1 50 50 LEU CD1 C 13 23.639 0.002 . 2 . . . . . 157 LEU CD1 . 27780 1 573 . 1 1 50 50 LEU CD2 C 13 24.947 0.004 . 2 . . . . . 157 LEU CD2 . 27780 1 574 . 1 1 50 50 LEU N N 15 122.466 0.040 . 1 . . . . . 157 LEU N . 27780 1 575 . 1 1 51 51 LYS H H 1 8.074 0.003 . 1 . . . . . 158 LYS H . 27780 1 576 . 1 1 51 51 LYS HA H 1 3.875 0.009 . 1 . . . . . 158 LYS HA . 27780 1 577 . 1 1 51 51 LYS HB2 H 1 1.857 0.008 . 2 . . . . . 158 LYS HB2 . 27780 1 578 . 1 1 51 51 LYS HB3 H 1 1.864 0.011 . 2 . . . . . 158 LYS HB3 . 27780 1 579 . 1 1 51 51 LYS HG2 H 1 1.368 0.001 . 2 . . . . . 158 LYS HG2 . 27780 1 580 . 1 1 51 51 LYS HG3 H 1 1.470 0.006 . 2 . . . . . 158 LYS HG3 . 27780 1 581 . 1 1 51 51 LYS HD2 H 1 1.688 0.004 . 1 . . . . . 158 LYS HD2 . 27780 1 582 . 1 1 51 51 LYS HD3 H 1 1.688 0.004 . 1 . . . . . 158 LYS HD3 . 27780 1 583 . 1 1 51 51 LYS HE2 H 1 2.932 0.022 . 1 . . . . . 158 LYS HE2 . 27780 1 584 . 1 1 51 51 LYS HE3 H 1 2.932 0.022 . 1 . . . . . 158 LYS HE3 . 27780 1 585 . 1 1 51 51 LYS C C 13 177.841 0.000 . 1 . . . . . 158 LYS C . 27780 1 586 . 1 1 51 51 LYS CA C 13 60.044 0.046 . 1 . . . . . 158 LYS CA . 27780 1 587 . 1 1 51 51 LYS CB C 13 32.325 0.051 . 1 . . . . . 158 LYS CB . 27780 1 588 . 1 1 51 51 LYS CG C 13 24.973 0.087 . 1 . . . . . 158 LYS CG . 27780 1 589 . 1 1 51 51 LYS CD C 13 29.634 0.038 . 1 . . . . . 158 LYS CD . 27780 1 590 . 1 1 51 51 LYS CE C 13 41.233 0.057 . 1 . . . . . 158 LYS CE . 27780 1 591 . 1 1 51 51 LYS N N 15 121.081 0.064 . 1 . . . . . 158 LYS N . 27780 1 592 . 1 1 52 52 ASP H H 1 8.209 0.003 . 1 . . . . . 159 ASP H . 27780 1 593 . 1 1 52 52 ASP HA H 1 4.410 0.007 . 1 . . . . . 159 ASP HA . 27780 1 594 . 1 1 52 52 ASP HB2 H 1 2.658 0.005 . 2 . . . . . 159 ASP HB2 . 27780 1 595 . 1 1 52 52 ASP HB3 H 1 2.668 0.010 . 2 . . . . . 159 ASP HB3 . 27780 1 596 . 1 1 52 52 ASP C C 13 178.057 0.000 . 1 . . . . . 159 ASP C . 27780 1 597 . 1 1 52 52 ASP CA C 13 56.994 0.072 . 1 . . . . . 159 ASP CA . 27780 1 598 . 1 1 52 52 ASP CB C 13 41.092 0.051 . 1 . . . . . 159 ASP CB . 27780 1 599 . 1 1 52 52 ASP N N 15 118.429 0.055 . 1 . . . . . 159 ASP N . 27780 1 600 . 1 1 53 53 ALA H H 1 7.983 0.004 . 1 . . . . . 160 ALA H . 27780 1 601 . 1 1 53 53 ALA HA H 1 4.142 0.012 . 1 . . . . . 160 ALA HA . 27780 1 602 . 1 1 53 53 ALA HB1 H 1 1.478 0.003 . 1 . . . . . 160 ALA HB1 . 27780 1 603 . 1 1 53 53 ALA HB2 H 1 1.478 0.003 . 1 . . . . . 160 ALA HB2 . 27780 1 604 . 1 1 53 53 ALA HB3 H 1 1.478 0.003 . 1 . . . . . 160 ALA HB3 . 27780 1 605 . 1 1 53 53 ALA C C 13 180.880 0.000 . 1 . . . . . 160 ALA C . 27780 1 606 . 1 1 53 53 ALA CA C 13 55.068 0.052 . 1 . . . . . 160 ALA CA . 27780 1 607 . 1 1 53 53 ALA CB C 13 18.358 0.032 . 1 . . . . . 160 ALA CB . 27780 1 608 . 1 1 53 53 ALA N N 15 122.916 0.028 . 1 . . . . . 160 ALA N . 27780 1 609 . 1 1 54 54 LYS H H 1 8.087 0.006 . 1 . . . . . 161 LYS H . 27780 1 610 . 1 1 54 54 LYS HA H 1 4.032 0.007 . 1 . . . . . 161 LYS HA . 27780 1 611 . 1 1 54 54 LYS HB2 H 1 1.629 0.007 . 2 . . . . . 161 LYS HB2 . 27780 1 612 . 1 1 54 54 LYS HB3 H 1 2.008 0.008 . 2 . . . . . 161 LYS HB3 . 27780 1 613 . 1 1 54 54 LYS HG2 H 1 1.541 0.004 . 1 . . . . . 161 LYS HG2 . 27780 1 614 . 1 1 54 54 LYS HG3 H 1 1.541 0.004 . 1 . . . . . 161 LYS HG3 . 27780 1 615 . 1 1 54 54 LYS HD2 H 1 1.561 0.000 . 1 . . . . . 161 LYS HD2 . 27780 1 616 . 1 1 54 54 LYS HD3 H 1 1.561 0.000 . 1 . . . . . 161 LYS HD3 . 27780 1 617 . 1 1 54 54 LYS HE2 H 1 2.763 0.002 . 2 . . . . . 161 LYS HE2 . 27780 1 618 . 1 1 54 54 LYS HE3 H 1 2.766 0.006 . 2 . . . . . 161 LYS HE3 . 27780 1 619 . 1 1 54 54 LYS C C 13 178.277 0.000 . 1 . . . . . 161 LYS C . 27780 1 620 . 1 1 54 54 LYS CA C 13 60.060 0.048 . 1 . . . . . 161 LYS CA . 27780 1 621 . 1 1 54 54 LYS CB C 13 33.268 0.099 . 1 . . . . . 161 LYS CB . 27780 1 622 . 1 1 54 54 LYS CG C 13 25.920 0.065 . 1 . . . . . 161 LYS CG . 27780 1 623 . 1 1 54 54 LYS CD C 13 30.634 0.068 . 1 . . . . . 161 LYS CD . 27780 1 624 . 1 1 54 54 LYS CE C 13 42.334 0.025 . 1 . . . . . 161 LYS CE . 27780 1 625 . 1 1 54 54 LYS N N 15 119.162 0.058 . 1 . . . . . 161 LYS N . 27780 1 626 . 1 1 55 55 LEU H H 1 8.237 0.003 . 1 . . . . . 162 LEU H . 27780 1 627 . 1 1 55 55 LEU HA H 1 3.898 0.008 . 1 . . . . . 162 LEU HA . 27780 1 628 . 1 1 55 55 LEU HB2 H 1 1.384 0.014 . 2 . . . . . 162 LEU HB2 . 27780 1 629 . 1 1 55 55 LEU HB3 H 1 2.050 0.003 . 2 . . . . . 162 LEU HB3 . 27780 1 630 . 1 1 55 55 LEU HG H 1 1.470 0.012 . 1 . . . . . 162 LEU HG . 27780 1 631 . 1 1 55 55 LEU HD11 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD11 . 27780 1 632 . 1 1 55 55 LEU HD12 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD12 . 27780 1 633 . 1 1 55 55 LEU HD13 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD13 . 27780 1 634 . 1 1 55 55 LEU HD21 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD21 . 27780 1 635 . 1 1 55 55 LEU HD22 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD22 . 27780 1 636 . 1 1 55 55 LEU HD23 H 1 0.896 0.007 . 2 . . . . . 162 LEU HD23 . 27780 1 637 . 1 1 55 55 LEU C C 13 178.028 0.000 . 1 . . . . . 162 LEU C . 27780 1 638 . 1 1 55 55 LEU CA C 13 58.442 0.051 . 1 . . . . . 162 LEU CA . 27780 1 639 . 1 1 55 55 LEU CB C 13 41.054 0.034 . 1 . . . . . 162 LEU CB . 27780 1 640 . 1 1 55 55 LEU CG C 13 27.212 0.056 . 1 . . . . . 162 LEU CG . 27780 1 641 . 1 1 55 55 LEU CD1 C 13 24.140 0.007 . 2 . . . . . 162 LEU CD1 . 27780 1 642 . 1 1 55 55 LEU CD2 C 13 25.520 0.020 . 2 . . . . . 162 LEU CD2 . 27780 1 643 . 1 1 55 55 LEU N N 15 120.512 0.063 . 1 . . . . . 162 LEU N . 27780 1 644 . 1 1 56 56 GLN H H 1 8.258 0.002 . 1 . . . . . 163 GLN H . 27780 1 645 . 1 1 56 56 GLN HA H 1 3.881 0.005 . 1 . . . . . 163 GLN HA . 27780 1 646 . 1 1 56 56 GLN HB2 H 1 2.119 0.005 . 1 . . . . . 163 GLN HB2 . 27780 1 647 . 1 1 56 56 GLN HB3 H 1 2.119 0.005 . 1 . . . . . 163 GLN HB3 . 27780 1 648 . 1 1 56 56 GLN HG2 H 1 2.428 0.017 . 2 . . . . . 163 GLN HG2 . 27780 1 649 . 1 1 56 56 GLN HG3 H 1 2.500 0.011 . 2 . . . . . 163 GLN HG3 . 27780 1 650 . 1 1 56 56 GLN HE21 H 1 6.851 0.001 . 1 . . . . . 163 GLN HE21 . 27780 1 651 . 1 1 56 56 GLN HE22 H 1 7.640 0.001 . 1 . . . . . 163 GLN HE22 . 27780 1 652 . 1 1 56 56 GLN C C 13 178.834 0.000 . 1 . . . . . 163 GLN C . 27780 1 653 . 1 1 56 56 GLN CA C 13 58.927 0.079 . 1 . . . . . 163 GLN CA . 27780 1 654 . 1 1 56 56 GLN CB C 13 27.738 0.054 . 1 . . . . . 163 GLN CB . 27780 1 655 . 1 1 56 56 GLN CG C 13 33.359 0.047 . 1 . . . . . 163 GLN CG . 27780 1 656 . 1 1 56 56 GLN N N 15 116.825 0.030 . 1 . . . . . 163 GLN N . 27780 1 657 . 1 1 56 56 GLN NE2 N 15 113.340 0.022 . 1 . . . . . 163 GLN NE2 . 27780 1 658 . 1 1 57 57 THR H H 1 7.790 0.006 . 1 . . . . . 164 THR H . 27780 1 659 . 1 1 57 57 THR HA H 1 3.951 0.012 . 1 . . . . . 164 THR HA . 27780 1 660 . 1 1 57 57 THR HB H 1 4.322 0.014 . 1 . . . . . 164 THR HB . 27780 1 661 . 1 1 57 57 THR HG21 H 1 1.221 0.014 . 1 . . . . . 164 THR HG21 . 27780 1 662 . 1 1 57 57 THR HG22 H 1 1.221 0.014 . 1 . . . . . 164 THR HG22 . 27780 1 663 . 1 1 57 57 THR HG23 H 1 1.221 0.014 . 1 . . . . . 164 THR HG23 . 27780 1 664 . 1 1 57 57 THR C C 13 176.623 0.000 . 1 . . . . . 164 THR C . 27780 1 665 . 1 1 57 57 THR CA C 13 66.919 0.088 . 1 . . . . . 164 THR CA . 27780 1 666 . 1 1 57 57 THR CB C 13 68.894 0.072 . 1 . . . . . 164 THR CB . 27780 1 667 . 1 1 57 57 THR CG2 C 13 21.520 0.017 . 1 . . . . . 164 THR CG2 . 27780 1 668 . 1 1 57 57 THR N N 15 116.171 0.035 . 1 . . . . . 164 THR N . 27780 1 669 . 1 1 58 58 LEU H H 1 8.106 0.005 . 1 . . . . . 165 LEU H . 27780 1 670 . 1 1 58 58 LEU HA H 1 4.175 0.022 . 1 . . . . . 165 LEU HA . 27780 1 671 . 1 1 58 58 LEU HB2 H 1 1.734 0.013 . 2 . . . . . 165 LEU HB2 . 27780 1 672 . 1 1 58 58 LEU HB3 H 1 1.951 0.017 . 2 . . . . . 165 LEU HB3 . 27780 1 673 . 1 1 58 58 LEU HG H 1 1.871 0.018 . 1 . . . . . 165 LEU HG . 27780 1 674 . 1 1 58 58 LEU HD11 H 1 0.904 0.016 . 2 . . . . . 165 LEU HD11 . 27780 1 675 . 1 1 58 58 LEU HD12 H 1 0.904 0.016 . 2 . . . . . 165 LEU HD12 . 27780 1 676 . 1 1 58 58 LEU HD13 H 1 0.904 0.016 . 2 . . . . . 165 LEU HD13 . 27780 1 677 . 1 1 58 58 LEU HD21 H 1 0.909 0.013 . 2 . . . . . 165 LEU HD21 . 27780 1 678 . 1 1 58 58 LEU HD22 H 1 0.909 0.013 . 2 . . . . . 165 LEU HD22 . 27780 1 679 . 1 1 58 58 LEU HD23 H 1 0.909 0.013 . 2 . . . . . 165 LEU HD23 . 27780 1 680 . 1 1 58 58 LEU C C 13 178.446 0.000 . 1 . . . . . 165 LEU C . 27780 1 681 . 1 1 58 58 LEU CA C 13 58.387 0.020 . 1 . . . . . 165 LEU CA . 27780 1 682 . 1 1 58 58 LEU CB C 13 42.524 0.069 . 1 . . . . . 165 LEU CB . 27780 1 683 . 1 1 58 58 LEU CG C 13 27.787 0.017 . 1 . . . . . 165 LEU CG . 27780 1 684 . 1 1 58 58 LEU CD1 C 13 24.774 0.002 . 2 . . . . . 165 LEU CD1 . 27780 1 685 . 1 1 58 58 LEU CD2 C 13 26.470 0.069 . 2 . . . . . 165 LEU CD2 . 27780 1 686 . 1 1 58 58 LEU N N 15 120.769 0.074 . 1 . . . . . 165 LEU N . 27780 1 687 . 1 1 59 59 LYS H H 1 8.876 0.012 . 1 . . . . . 166 LYS H . 27780 1 688 . 1 1 59 59 LYS HA H 1 3.779 0.005 . 1 . . . . . 166 LYS HA . 27780 1 689 . 1 1 59 59 LYS HB2 H 1 1.678 0.014 . 2 . . . . . 166 LYS HB2 . 27780 1 690 . 1 1 59 59 LYS HB3 H 1 1.830 0.005 . 2 . . . . . 166 LYS HB3 . 27780 1 691 . 1 1 59 59 LYS HG2 H 1 1.472 0.008 . 1 . . . . . 166 LYS HG2 . 27780 1 692 . 1 1 59 59 LYS HG3 H 1 1.472 0.008 . 1 . . . . . 166 LYS HG3 . 27780 1 693 . 1 1 59 59 LYS HD2 H 1 1.607 0.005 . 1 . . . . . 166 LYS HD2 . 27780 1 694 . 1 1 59 59 LYS HD3 H 1 1.607 0.005 . 1 . . . . . 166 LYS HD3 . 27780 1 695 . 1 1 59 59 LYS HE2 H 1 2.938 0.043 . 1 . . . . . 166 LYS HE2 . 27780 1 696 . 1 1 59 59 LYS HE3 H 1 2.938 0.043 . 1 . . . . . 166 LYS HE3 . 27780 1 697 . 1 1 59 59 LYS C C 13 178.540 0.000 . 1 . . . . . 166 LYS C . 27780 1 698 . 1 1 59 59 LYS CA C 13 59.014 0.037 . 1 . . . . . 166 LYS CA . 27780 1 699 . 1 1 59 59 LYS CB C 13 32.034 0.030 . 1 . . . . . 166 LYS CB . 27780 1 700 . 1 1 59 59 LYS CG C 13 24.901 0.002 . 1 . . . . . 166 LYS CG . 27780 1 701 . 1 1 59 59 LYS CD C 13 29.218 0.031 . 1 . . . . . 166 LYS CD . 27780 1 702 . 1 1 59 59 LYS CE C 13 41.405 0.023 . 1 . . . . . 166 LYS CE . 27780 1 703 . 1 1 59 59 LYS N N 15 119.822 0.088 . 1 . . . . . 166 LYS N . 27780 1 704 . 1 1 60 60 GLU H H 1 7.352 0.004 . 1 . . . . . 167 GLU H . 27780 1 705 . 1 1 60 60 GLU HA H 1 3.929 0.007 . 1 . . . . . 167 GLU HA . 27780 1 706 . 1 1 60 60 GLU HB2 H 1 2.030 0.005 . 2 . . . . . 167 GLU HB2 . 27780 1 707 . 1 1 60 60 GLU HB3 H 1 2.132 0.011 . 2 . . . . . 167 GLU HB3 . 27780 1 708 . 1 1 60 60 GLU HG2 H 1 2.205 0.004 . 2 . . . . . 167 GLU HG2 . 27780 1 709 . 1 1 60 60 GLU HG3 H 1 2.448 0.005 . 2 . . . . . 167 GLU HG3 . 27780 1 710 . 1 1 60 60 GLU C C 13 178.525 0.000 . 1 . . . . . 167 GLU C . 27780 1 711 . 1 1 60 60 GLU CA C 13 58.557 0.070 . 1 . . . . . 167 GLU CA . 27780 1 712 . 1 1 60 60 GLU CB C 13 29.695 0.051 . 1 . . . . . 167 GLU CB . 27780 1 713 . 1 1 60 60 GLU CG C 13 36.484 0.074 . 1 . . . . . 167 GLU CG . 27780 1 714 . 1 1 60 60 GLU N N 15 116.128 0.067 . 1 . . . . . 167 GLU N . 27780 1 715 . 1 1 61 61 LEU H H 1 7.171 0.008 . 1 . . . . . 168 LEU H . 27780 1 716 . 1 1 61 61 LEU HA H 1 3.896 0.007 . 1 . . . . . 168 LEU HA . 27780 1 717 . 1 1 61 61 LEU HB2 H 1 0.769 0.017 . 2 . . . . . 168 LEU HB2 . 27780 1 718 . 1 1 61 61 LEU HB3 H 1 1.688 0.011 . 2 . . . . . 168 LEU HB3 . 27780 1 719 . 1 1 61 61 LEU HG H 1 1.637 0.018 . 1 . . . . . 168 LEU HG . 27780 1 720 . 1 1 61 61 LEU HD11 H 1 0.700 0.004 . 2 . . . . . 168 LEU HD11 . 27780 1 721 . 1 1 61 61 LEU HD12 H 1 0.700 0.004 . 2 . . . . . 168 LEU HD12 . 27780 1 722 . 1 1 61 61 LEU HD13 H 1 0.700 0.004 . 2 . . . . . 168 LEU HD13 . 27780 1 723 . 1 1 61 61 LEU HD21 H 1 0.826 0.019 . 2 . . . . . 168 LEU HD21 . 27780 1 724 . 1 1 61 61 LEU HD22 H 1 0.826 0.019 . 2 . . . . . 168 LEU HD22 . 27780 1 725 . 1 1 61 61 LEU HD23 H 1 0.826 0.019 . 2 . . . . . 168 LEU HD23 . 27780 1 726 . 1 1 61 61 LEU C C 13 176.707 0.000 . 1 . . . . . 168 LEU C . 27780 1 727 . 1 1 61 61 LEU CA C 13 56.515 0.031 . 1 . . . . . 168 LEU CA . 27780 1 728 . 1 1 61 61 LEU CB C 13 44.278 0.037 . 1 . . . . . 168 LEU CB . 27780 1 729 . 1 1 61 61 LEU CG C 13 26.857 0.006 . 1 . . . . . 168 LEU CG . 27780 1 730 . 1 1 61 61 LEU CD1 C 13 22.681 0.119 . 1 . . . . . 168 LEU CD1 . 27780 1 731 . 1 1 61 61 LEU CD2 C 13 26.027 0.000 . 1 . . . . . 168 LEU CD2 . 27780 1 732 . 1 1 61 61 LEU N N 15 117.759 0.048 . 1 . . . . . 168 LEU N . 27780 1 733 . 1 1 62 62 PHE H H 1 8.058 0.004 . 1 . . . . . 169 PHE H . 27780 1 734 . 1 1 62 62 PHE HA H 1 4.941 0.016 . 1 . . . . . 169 PHE HA . 27780 1 735 . 1 1 62 62 PHE HB2 H 1 2.851 0.032 . 1 . . . . . 169 PHE HB2 . 27780 1 736 . 1 1 62 62 PHE HB3 H 1 2.851 0.032 . 1 . . . . . 169 PHE HB3 . 27780 1 737 . 1 1 62 62 PHE HD1 H 1 7.376 0.011 . 1 . . . . . 169 PHE HD1 . 27780 1 738 . 1 1 62 62 PHE HD2 H 1 7.376 0.011 . 1 . . . . . 169 PHE HD2 . 27780 1 739 . 1 1 62 62 PHE HE1 H 1 7.216 0.023 . 1 . . . . . 169 PHE HE1 . 27780 1 740 . 1 1 62 62 PHE HE2 H 1 7.216 0.023 . 1 . . . . . 169 PHE HE2 . 27780 1 741 . 1 1 62 62 PHE HZ H 1 7.186 0.005 . 1 . . . . . 169 PHE HZ . 27780 1 742 . 1 1 62 62 PHE CA C 13 55.783 0.046 . 1 . . . . . 169 PHE CA . 27780 1 743 . 1 1 62 62 PHE CB C 13 38.985 0.065 . 1 . . . . . 169 PHE CB . 27780 1 744 . 1 1 62 62 PHE N N 15 116.211 0.038 . 1 . . . . . 169 PHE N . 27780 1 745 . 1 1 63 63 PRO HA H 1 4.577 0.007 . 1 . . . . . 170 PRO HA . 27780 1 746 . 1 1 63 63 PRO HB2 H 1 1.918 0.003 . 2 . . . . . 170 PRO HB2 . 27780 1 747 . 1 1 63 63 PRO HB3 H 1 2.338 0.005 . 2 . . . . . 170 PRO HB3 . 27780 1 748 . 1 1 63 63 PRO HG2 H 1 1.809 0.005 . 1 . . . . . 170 PRO HG2 . 27780 1 749 . 1 1 63 63 PRO HG3 H 1 1.809 0.005 . 1 . . . . . 170 PRO HG3 . 27780 1 750 . 1 1 63 63 PRO HD2 H 1 3.474 0.011 . 2 . . . . . 170 PRO HD2 . 27780 1 751 . 1 1 63 63 PRO HD3 H 1 3.227 0.009 . 2 . . . . . 170 PRO HD3 . 27780 1 752 . 1 1 63 63 PRO C C 13 178.079 0.000 . 1 . . . . . 170 PRO C . 27780 1 753 . 1 1 63 63 PRO CA C 13 64.570 0.030 . 1 . . . . . 170 PRO CA . 27780 1 754 . 1 1 63 63 PRO CB C 13 32.273 0.078 . 1 . . . . . 170 PRO CB . 27780 1 755 . 1 1 63 63 PRO CG C 13 27.316 0.091 . 1 . . . . . 170 PRO CG . 27780 1 756 . 1 1 63 63 PRO CD C 13 50.317 0.057 . 1 . . . . . 170 PRO CD . 27780 1 757 . 1 1 64 64 GLN H H 1 8.641 0.004 . 1 . . . . . 171 GLN H . 27780 1 758 . 1 1 64 64 GLN HA H 1 4.275 0.007 . 1 . . . . . 171 GLN HA . 27780 1 759 . 1 1 64 64 GLN HB2 H 1 1.987 0.006 . 2 . . . . . 171 GLN HB2 . 27780 1 760 . 1 1 64 64 GLN HB3 H 1 2.196 0.007 . 2 . . . . . 171 GLN HB3 . 27780 1 761 . 1 1 64 64 GLN HG2 H 1 2.262 0.016 . 2 . . . . . 171 GLN HG2 . 27780 1 762 . 1 1 64 64 GLN HG3 H 1 2.366 0.014 . 2 . . . . . 171 GLN HG3 . 27780 1 763 . 1 1 64 64 GLN HE21 H 1 6.938 0.003 . 1 . . . . . 171 GLN HE21 . 27780 1 764 . 1 1 64 64 GLN HE22 H 1 7.569 0.002 . 1 . . . . . 171 GLN HE22 . 27780 1 765 . 1 1 64 64 GLN C C 13 176.283 0.000 . 1 . . . . . 171 GLN C . 27780 1 766 . 1 1 64 64 GLN CA C 13 56.154 0.037 . 1 . . . . . 171 GLN CA . 27780 1 767 . 1 1 64 64 GLN CB C 13 28.158 0.066 . 1 . . . . . 171 GLN CB . 27780 1 768 . 1 1 64 64 GLN CG C 13 34.373 0.091 . 1 . . . . . 171 GLN CG . 27780 1 769 . 1 1 64 64 GLN N N 15 115.173 0.044 . 1 . . . . . 171 GLN N . 27780 1 770 . 1 1 64 64 GLN NE2 N 15 112.166 0.002 . 1 . . . . . 171 GLN NE2 . 27780 1 771 . 1 1 65 65 ARG H H 1 7.475 0.003 . 1 . . . . . 172 ARG H . 27780 1 772 . 1 1 65 65 ARG HA H 1 4.426 0.004 . 1 . . . . . 172 ARG HA . 27780 1 773 . 1 1 65 65 ARG HB2 H 1 1.536 0.005 . 2 . . . . . 172 ARG HB2 . 27780 1 774 . 1 1 65 65 ARG HB3 H 1 1.752 0.007 . 2 . . . . . 172 ARG HB3 . 27780 1 775 . 1 1 65 65 ARG HG2 H 1 0.662 0.006 . 2 . . . . . 172 ARG HG2 . 27780 1 776 . 1 1 65 65 ARG HG3 H 1 1.280 0.004 . 2 . . . . . 172 ARG HG3 . 27780 1 777 . 1 1 65 65 ARG HD2 H 1 2.251 0.007 . 2 . . . . . 172 ARG HD2 . 27780 1 778 . 1 1 65 65 ARG HD3 H 1 2.599 0.005 . 2 . . . . . 172 ARG HD3 . 27780 1 779 . 1 1 65 65 ARG C C 13 175.550 0.000 . 1 . . . . . 172 ARG C . 27780 1 780 . 1 1 65 65 ARG CA C 13 52.970 0.042 . 1 . . . . . 172 ARG CA . 27780 1 781 . 1 1 65 65 ARG CB C 13 30.086 0.061 . 1 . . . . . 172 ARG CB . 27780 1 782 . 1 1 65 65 ARG CG C 13 25.575 0.066 . 1 . . . . . 172 ARG CG . 27780 1 783 . 1 1 65 65 ARG CD C 13 41.728 0.091 . 1 . . . . . 172 ARG CD . 27780 1 784 . 1 1 65 65 ARG N N 15 118.153 0.051 . 1 . . . . . 172 ARG N . 27780 1 785 . 1 1 66 66 SER H H 1 8.954 0.003 . 1 . . . . . 173 SER H . 27780 1 786 . 1 1 66 66 SER HA H 1 4.310 0.002 . 1 . . . . . 173 SER HA . 27780 1 787 . 1 1 66 66 SER HB2 H 1 3.970 0.005 . 2 . . . . . 173 SER HB2 . 27780 1 788 . 1 1 66 66 SER HB3 H 1 4.198 0.007 . 2 . . . . . 173 SER HB3 . 27780 1 789 . 1 1 66 66 SER C C 13 174.811 0.000 . 1 . . . . . 173 SER C . 27780 1 790 . 1 1 66 66 SER CA C 13 57.517 0.031 . 1 . . . . . 173 SER CA . 27780 1 791 . 1 1 66 66 SER CB C 13 64.911 0.110 . 1 . . . . . 173 SER CB . 27780 1 792 . 1 1 66 66 SER N N 15 118.069 0.052 . 1 . . . . . 173 SER N . 27780 1 793 . 1 1 67 67 ASP H H 1 8.890 0.003 . 1 . . . . . 174 ASP H . 27780 1 794 . 1 1 67 67 ASP HA H 1 4.177 0.017 . 1 . . . . . 174 ASP HA . 27780 1 795 . 1 1 67 67 ASP HB2 H 1 2.560 0.008 . 2 . . . . . 174 ASP HB2 . 27780 1 796 . 1 1 67 67 ASP HB3 H 1 2.602 0.017 . 2 . . . . . 174 ASP HB3 . 27780 1 797 . 1 1 67 67 ASP C C 13 178.142 0.000 . 1 . . . . . 174 ASP C . 27780 1 798 . 1 1 67 67 ASP CA C 13 57.918 0.021 . 1 . . . . . 174 ASP CA . 27780 1 799 . 1 1 67 67 ASP CB C 13 39.410 0.062 . 1 . . . . . 174 ASP CB . 27780 1 800 . 1 1 67 67 ASP N N 15 123.075 0.035 . 1 . . . . . 174 ASP N . 27780 1 801 . 1 1 68 68 ASN H H 1 8.398 0.003 . 1 . . . . . 175 ASN H . 27780 1 802 . 1 1 68 68 ASN HA H 1 4.343 0.006 . 1 . . . . . 175 ASN HA . 27780 1 803 . 1 1 68 68 ASN HB2 H 1 2.685 0.004 . 1 . . . . . 175 ASN HB2 . 27780 1 804 . 1 1 68 68 ASN HB3 H 1 2.685 0.004 . 1 . . . . . 175 ASN HB3 . 27780 1 805 . 1 1 68 68 ASN HD21 H 1 6.969 0.006 . 1 . . . . . 175 ASN HD21 . 27780 1 806 . 1 1 68 68 ASN HD22 H 1 7.669 0.006 . 1 . . . . . 175 ASN HD22 . 27780 1 807 . 1 1 68 68 ASN C C 13 177.640 0.000 . 1 . . . . . 175 ASN C . 27780 1 808 . 1 1 68 68 ASN CA C 13 56.745 0.066 . 1 . . . . . 175 ASN CA . 27780 1 809 . 1 1 68 68 ASN CB C 13 38.383 0.065 . 1 . . . . . 175 ASN CB . 27780 1 810 . 1 1 68 68 ASN N N 15 115.360 0.031 . 1 . . . . . 175 ASN N . 27780 1 811 . 1 1 68 68 ASN ND2 N 15 112.918 0.025 . 1 . . . . . 175 ASN ND2 . 27780 1 812 . 1 1 69 69 ASP H H 1 7.715 0.004 . 1 . . . . . 176 ASP H . 27780 1 813 . 1 1 69 69 ASP HA H 1 4.361 0.009 . 1 . . . . . 176 ASP HA . 27780 1 814 . 1 1 69 69 ASP HB2 H 1 2.523 0.005 . 2 . . . . . 176 ASP HB2 . 27780 1 815 . 1 1 69 69 ASP HB3 H 1 2.890 0.009 . 2 . . . . . 176 ASP HB3 . 27780 1 816 . 1 1 69 69 ASP C C 13 178.577 0.000 . 1 . . . . . 176 ASP C . 27780 1 817 . 1 1 69 69 ASP CA C 13 57.446 0.065 . 1 . . . . . 176 ASP CA . 27780 1 818 . 1 1 69 69 ASP CB C 13 40.798 0.081 . 1 . . . . . 176 ASP CB . 27780 1 819 . 1 1 69 69 ASP N N 15 119.869 0.062 . 1 . . . . . 176 ASP N . 27780 1 820 . 1 1 70 70 LEU H H 1 7.723 0.003 . 1 . . . . . 177 LEU H . 27780 1 821 . 1 1 70 70 LEU HA H 1 4.089 0.007 . 1 . . . . . 177 LEU HA . 27780 1 822 . 1 1 70 70 LEU HB2 H 1 1.929 0.011 . 2 . . . . . 177 LEU HB2 . 27780 1 823 . 1 1 70 70 LEU HB3 H 1 1.263 0.012 . 2 . . . . . 177 LEU HB3 . 27780 1 824 . 1 1 70 70 LEU HG H 1 1.910 0.004 . 1 . . . . . 177 LEU HG . 27780 1 825 . 1 1 70 70 LEU HD11 H 1 0.780 0.007 . 2 . . . . . 177 LEU HD11 . 27780 1 826 . 1 1 70 70 LEU HD12 H 1 0.780 0.007 . 2 . . . . . 177 LEU HD12 . 27780 1 827 . 1 1 70 70 LEU HD13 H 1 0.780 0.007 . 2 . . . . . 177 LEU HD13 . 27780 1 828 . 1 1 70 70 LEU HD21 H 1 0.839 0.015 . 2 . . . . . 177 LEU HD21 . 27780 1 829 . 1 1 70 70 LEU HD22 H 1 0.839 0.015 . 2 . . . . . 177 LEU HD22 . 27780 1 830 . 1 1 70 70 LEU HD23 H 1 0.839 0.015 . 2 . . . . . 177 LEU HD23 . 27780 1 831 . 1 1 70 70 LEU C C 13 179.133 0.000 . 1 . . . . . 177 LEU C . 27780 1 832 . 1 1 70 70 LEU CA C 13 57.575 0.043 . 1 . . . . . 177 LEU CA . 27780 1 833 . 1 1 70 70 LEU CB C 13 41.416 0.070 . 1 . . . . . 177 LEU CB . 27780 1 834 . 1 1 70 70 LEU CG C 13 26.348 0.000 . 1 . . . . . 177 LEU CG . 27780 1 835 . 1 1 70 70 LEU CD1 C 13 22.051 0.048 . 2 . . . . . 177 LEU CD1 . 27780 1 836 . 1 1 70 70 LEU CD2 C 13 26.039 0.062 . 2 . . . . . 177 LEU CD2 . 27780 1 837 . 1 1 70 70 LEU N N 15 118.462 0.065 . 1 . . . . . 177 LEU N . 27780 1 838 . 1 1 71 71 LEU H H 1 8.981 0.005 . 1 . . . . . 178 LEU H . 27780 1 839 . 1 1 71 71 LEU HA H 1 3.966 0.006 . 1 . . . . . 178 LEU HA . 27780 1 840 . 1 1 71 71 LEU HB2 H 1 1.542 0.006 . 2 . . . . . 178 LEU HB2 . 27780 1 841 . 1 1 71 71 LEU HB3 H 1 1.826 0.003 . 2 . . . . . 178 LEU HB3 . 27780 1 842 . 1 1 71 71 LEU HG H 1 1.705 0.006 . 1 . . . . . 178 LEU HG . 27780 1 843 . 1 1 71 71 LEU HD11 H 1 0.886 0.041 . 2 . . . . . 178 LEU HD11 . 27780 1 844 . 1 1 71 71 LEU HD12 H 1 0.886 0.041 . 2 . . . . . 178 LEU HD12 . 27780 1 845 . 1 1 71 71 LEU HD13 H 1 0.886 0.041 . 2 . . . . . 178 LEU HD13 . 27780 1 846 . 1 1 71 71 LEU HD21 H 1 0.892 0.022 . 2 . . . . . 178 LEU HD21 . 27780 1 847 . 1 1 71 71 LEU HD22 H 1 0.892 0.022 . 2 . . . . . 178 LEU HD22 . 27780 1 848 . 1 1 71 71 LEU HD23 H 1 0.892 0.022 . 2 . . . . . 178 LEU HD23 . 27780 1 849 . 1 1 71 71 LEU C C 13 179.301 0.000 . 1 . . . . . 178 LEU C . 27780 1 850 . 1 1 71 71 LEU CA C 13 58.242 0.044 . 1 . . . . . 178 LEU CA . 27780 1 851 . 1 1 71 71 LEU CB C 13 41.758 0.019 . 1 . . . . . 178 LEU CB . 27780 1 852 . 1 1 71 71 LEU CG C 13 27.326 0.048 . 1 . . . . . 178 LEU CG . 27780 1 853 . 1 1 71 71 LEU CD1 C 13 23.786 0.032 . 2 . . . . . 178 LEU CD1 . 27780 1 854 . 1 1 71 71 LEU CD2 C 13 24.621 0.000 . 2 . . . . . 178 LEU CD2 . 27780 1 855 . 1 1 71 71 LEU N N 15 120.422 0.075 . 1 . . . . . 178 LEU N . 27780 1 856 . 1 1 72 72 LYS H H 1 7.540 0.002 . 1 . . . . . 179 LYS H . 27780 1 857 . 1 1 72 72 LYS HA H 1 4.053 0.008 . 1 . . . . . 179 LYS HA . 27780 1 858 . 1 1 72 72 LYS HB2 H 1 1.892 0.012 . 2 . . . . . 179 LYS HB2 . 27780 1 859 . 1 1 72 72 LYS HB3 H 1 1.905 0.006 . 2 . . . . . 179 LYS HB3 . 27780 1 860 . 1 1 72 72 LYS HG2 H 1 1.458 0.010 . 2 . . . . . 179 LYS HG2 . 27780 1 861 . 1 1 72 72 LYS HG3 H 1 1.588 0.007 . 2 . . . . . 179 LYS HG3 . 27780 1 862 . 1 1 72 72 LYS HD2 H 1 1.669 0.014 . 1 . . . . . 179 LYS HD2 . 27780 1 863 . 1 1 72 72 LYS HD3 H 1 1.669 0.014 . 1 . . . . . 179 LYS HD3 . 27780 1 864 . 1 1 72 72 LYS HE2 H 1 2.916 0.021 . 1 . . . . . 179 LYS HE2 . 27780 1 865 . 1 1 72 72 LYS HE3 H 1 2.916 0.021 . 1 . . . . . 179 LYS HE3 . 27780 1 866 . 1 1 72 72 LYS C C 13 179.840 0.000 . 1 . . . . . 179 LYS C . 27780 1 867 . 1 1 72 72 LYS CA C 13 59.291 0.091 . 1 . . . . . 179 LYS CA . 27780 1 868 . 1 1 72 72 LYS CB C 13 32.107 0.020 . 1 . . . . . 179 LYS CB . 27780 1 869 . 1 1 72 72 LYS CG C 13 25.153 0.041 . 1 . . . . . 179 LYS CG . 27780 1 870 . 1 1 72 72 LYS CD C 13 29.162 0.000 . 1 . . . . . 179 LYS CD . 27780 1 871 . 1 1 72 72 LYS CE C 13 42.145 0.002 . 1 . . . . . 179 LYS CE . 27780 1 872 . 1 1 72 72 LYS N N 15 117.703 0.049 . 1 . . . . . 179 LYS N . 27780 1 873 . 1 1 73 73 LEU H H 1 7.266 0.006 . 1 . . . . . 180 LEU H . 27780 1 874 . 1 1 73 73 LEU HA H 1 3.991 0.013 . 1 . . . . . 180 LEU HA . 27780 1 875 . 1 1 73 73 LEU HB2 H 1 1.353 0.012 . 2 . . . . . 180 LEU HB2 . 27780 1 876 . 1 1 73 73 LEU HB3 H 1 2.048 0.004 . 2 . . . . . 180 LEU HB3 . 27780 1 877 . 1 1 73 73 LEU HG H 1 1.805 0.001 . 1 . . . . . 180 LEU HG . 27780 1 878 . 1 1 73 73 LEU HD11 H 1 0.684 0.011 . 2 . . . . . 180 LEU HD11 . 27780 1 879 . 1 1 73 73 LEU HD12 H 1 0.684 0.011 . 2 . . . . . 180 LEU HD12 . 27780 1 880 . 1 1 73 73 LEU HD13 H 1 0.684 0.011 . 2 . . . . . 180 LEU HD13 . 27780 1 881 . 1 1 73 73 LEU HD21 H 1 0.751 0.018 . 2 . . . . . 180 LEU HD21 . 27780 1 882 . 1 1 73 73 LEU HD22 H 1 0.751 0.018 . 2 . . . . . 180 LEU HD22 . 27780 1 883 . 1 1 73 73 LEU HD23 H 1 0.751 0.018 . 2 . . . . . 180 LEU HD23 . 27780 1 884 . 1 1 73 73 LEU C C 13 179.403 0.000 . 1 . . . . . 180 LEU C . 27780 1 885 . 1 1 73 73 LEU CA C 13 57.587 0.029 . 1 . . . . . 180 LEU CA . 27780 1 886 . 1 1 73 73 LEU CB C 13 41.594 0.040 . 1 . . . . . 180 LEU CB . 27780 1 887 . 1 1 73 73 LEU CG C 13 26.272 0.120 . 1 . . . . . 180 LEU CG . 27780 1 888 . 1 1 73 73 LEU CD1 C 13 23.115 0.036 . 2 . . . . . 180 LEU CD1 . 27780 1 889 . 1 1 73 73 LEU CD2 C 13 26.067 0.024 . 2 . . . . . 180 LEU CD2 . 27780 1 890 . 1 1 73 73 LEU N N 15 119.225 0.073 . 1 . . . . . 180 LEU N . 27780 1 891 . 1 1 74 74 ILE H H 1 7.848 0.005 . 1 . . . . . 181 ILE H . 27780 1 892 . 1 1 74 74 ILE HA H 1 3.544 0.005 . 1 . . . . . 181 ILE HA . 27780 1 893 . 1 1 74 74 ILE HB H 1 1.993 0.004 . 1 . . . . . 181 ILE HB . 27780 1 894 . 1 1 74 74 ILE HG12 H 1 1.699 0.003 . 2 . . . . . 181 ILE HG12 . 27780 1 895 . 1 1 74 74 ILE HG13 H 1 0.788 0.009 . 2 . . . . . 181 ILE HG13 . 27780 1 896 . 1 1 74 74 ILE HG21 H 1 0.892 0.021 . 1 . . . . . 181 ILE HG21 . 27780 1 897 . 1 1 74 74 ILE HG22 H 1 0.892 0.021 . 1 . . . . . 181 ILE HG22 . 27780 1 898 . 1 1 74 74 ILE HG23 H 1 0.892 0.021 . 1 . . . . . 181 ILE HG23 . 27780 1 899 . 1 1 74 74 ILE HD11 H 1 0.777 0.008 . 1 . . . . . 181 ILE HD11 . 27780 1 900 . 1 1 74 74 ILE HD12 H 1 0.777 0.008 . 1 . . . . . 181 ILE HD12 . 27780 1 901 . 1 1 74 74 ILE HD13 H 1 0.777 0.008 . 1 . . . . . 181 ILE HD13 . 27780 1 902 . 1 1 74 74 ILE C C 13 178.138 0.000 . 1 . . . . . 181 ILE C . 27780 1 903 . 1 1 74 74 ILE CA C 13 64.621 0.029 . 1 . . . . . 181 ILE CA . 27780 1 904 . 1 1 74 74 ILE CB C 13 38.314 0.025 . 1 . . . . . 181 ILE CB . 27780 1 905 . 1 1 74 74 ILE CG1 C 13 30.199 0.000 . 1 . . . . . 181 ILE CG1 . 27780 1 906 . 1 1 74 74 ILE CG2 C 13 17.675 0.010 . 1 . . . . . 181 ILE CG2 . 27780 1 907 . 1 1 74 74 ILE CD1 C 13 13.796 0.045 . 1 . . . . . 181 ILE CD1 . 27780 1 908 . 1 1 74 74 ILE N N 15 120.691 0.055 . 1 . . . . . 181 ILE N . 27780 1 909 . 1 1 75 75 GLU H H 1 8.277 0.009 . 1 . . . . . 182 GLU H . 27780 1 910 . 1 1 75 75 GLU HA H 1 4.140 0.017 . 1 . . . . . 182 GLU HA . 27780 1 911 . 1 1 75 75 GLU HB2 H 1 2.056 0.009 . 1 . . . . . 182 GLU HB2 . 27780 1 912 . 1 1 75 75 GLU HB3 H 1 2.056 0.009 . 1 . . . . . 182 GLU HB3 . 27780 1 913 . 1 1 75 75 GLU HG2 H 1 2.251 0.002 . 2 . . . . . 182 GLU HG2 . 27780 1 914 . 1 1 75 75 GLU HG3 H 1 2.422 0.003 . 2 . . . . . 182 GLU HG3 . 27780 1 915 . 1 1 75 75 GLU C C 13 177.498 0.000 . 1 . . . . . 182 GLU C . 27780 1 916 . 1 1 75 75 GLU CA C 13 58.384 0.012 . 1 . . . . . 182 GLU CA . 27780 1 917 . 1 1 75 75 GLU CB C 13 30.015 0.051 . 1 . . . . . 182 GLU CB . 27780 1 918 . 1 1 75 75 GLU CG C 13 36.814 0.054 . 1 . . . . . 182 GLU CG . 27780 1 919 . 1 1 75 75 GLU N N 15 116.526 0.100 . 1 . . . . . 182 GLU N . 27780 1 920 . 1 1 76 76 SER H H 1 7.526 0.002 . 1 . . . . . 183 SER H . 27780 1 921 . 1 1 76 76 SER HA H 1 4.537 0.004 . 1 . . . . . 183 SER HA . 27780 1 922 . 1 1 76 76 SER HB2 H 1 3.927 0.002 . 2 . . . . . 183 SER HB2 . 27780 1 923 . 1 1 76 76 SER HB3 H 1 4.041 0.008 . 2 . . . . . 183 SER HB3 . 27780 1 924 . 1 1 76 76 SER C C 13 173.592 0.000 . 1 . . . . . 183 SER C . 27780 1 925 . 1 1 76 76 SER CA C 13 58.858 0.038 . 1 . . . . . 183 SER CA . 27780 1 926 . 1 1 76 76 SER CB C 13 64.394 0.064 . 1 . . . . . 183 SER CB . 27780 1 927 . 1 1 76 76 SER N N 15 111.048 0.060 . 1 . . . . . 183 SER N . 27780 1 928 . 1 1 77 77 THR H H 1 7.395 0.004 . 1 . . . . . 184 THR H . 27780 1 929 . 1 1 77 77 THR HA H 1 4.717 0.024 . 1 . . . . . 184 THR HA . 27780 1 930 . 1 1 77 77 THR HB H 1 4.207 0.011 . 1 . . . . . 184 THR HB . 27780 1 931 . 1 1 77 77 THR HG21 H 1 1.076 0.021 . 1 . . . . . 184 THR HG21 . 27780 1 932 . 1 1 77 77 THR HG22 H 1 1.076 0.021 . 1 . . . . . 184 THR HG22 . 27780 1 933 . 1 1 77 77 THR HG23 H 1 1.076 0.021 . 1 . . . . . 184 THR HG23 . 27780 1 934 . 1 1 77 77 THR C C 13 173.948 0.000 . 1 . . . . . 184 THR C . 27780 1 935 . 1 1 77 77 THR CA C 13 60.622 0.037 . 1 . . . . . 184 THR CA . 27780 1 936 . 1 1 77 77 THR CB C 13 72.638 0.009 . 1 . . . . . 184 THR CB . 27780 1 937 . 1 1 77 77 THR CG2 C 13 21.666 0.055 . 1 . . . . . 184 THR CG2 . 27780 1 938 . 1 1 77 77 THR N N 15 111.783 0.044 . 1 . . . . . 184 THR N . 27780 1 939 . 1 1 78 78 SER H H 1 8.690 0.005 . 1 . . . . . 185 SER H . 27780 1 940 . 1 1 78 78 SER HA H 1 4.644 0.008 . 1 . . . . . 185 SER HA . 27780 1 941 . 1 1 78 78 SER HB2 H 1 3.897 0.001 . 2 . . . . . 185 SER HB2 . 27780 1 942 . 1 1 78 78 SER HB3 H 1 3.973 0.001 . 2 . . . . . 185 SER HB3 . 27780 1 943 . 1 1 78 78 SER C C 13 175.093 0.000 . 1 . . . . . 185 SER C . 27780 1 944 . 1 1 78 78 SER CA C 13 59.480 0.014 . 1 . . . . . 185 SER CA . 27780 1 945 . 1 1 78 78 SER CB C 13 64.843 0.087 . 1 . . . . . 185 SER CB . 27780 1 946 . 1 1 78 78 SER N N 15 112.197 0.084 . 1 . . . . . 185 SER N . 27780 1 947 . 1 1 79 79 THR H H 1 7.596 0.006 . 1 . . . . . 186 THR H . 27780 1 948 . 1 1 79 79 THR HA H 1 4.840 0.000 . 1 . . . . . 186 THR HA . 27780 1 949 . 1 1 79 79 THR HB H 1 4.641 0.005 . 1 . . . . . 186 THR HB . 27780 1 950 . 1 1 79 79 THR HG21 H 1 1.233 0.014 . 1 . . . . . 186 THR HG21 . 27780 1 951 . 1 1 79 79 THR HG22 H 1 1.233 0.014 . 1 . . . . . 186 THR HG22 . 27780 1 952 . 1 1 79 79 THR HG23 H 1 1.233 0.014 . 1 . . . . . 186 THR HG23 . 27780 1 953 . 1 1 79 79 THR CA C 13 59.168 0.000 . 1 . . . . . 186 THR CA . 27780 1 954 . 1 1 79 79 THR CB C 13 73.289 0.000 . 1 . . . . . 186 THR CB . 27780 1 955 . 1 1 79 79 THR CG2 C 13 21.973 0.011 . 1 . . . . . 186 THR CG2 . 27780 1 956 . 1 1 79 79 THR N N 15 109.252 0.041 . 1 . . . . . 186 THR N . 27780 1 957 . 1 1 80 80 MET HA H 1 4.363 0.014 . 1 . . . . . 187 MET HA . 27780 1 958 . 1 1 80 80 MET HB2 H 1 2.023 0.018 . 2 . . . . . 187 MET HB2 . 27780 1 959 . 1 1 80 80 MET HB3 H 1 2.261 0.005 . 2 . . . . . 187 MET HB3 . 27780 1 960 . 1 1 80 80 MET HG2 H 1 2.468 0.006 . 2 . . . . . 187 MET HG2 . 27780 1 961 . 1 1 80 80 MET HG3 H 1 2.778 0.007 . 2 . . . . . 187 MET HG3 . 27780 1 962 . 1 1 80 80 MET HE1 H 1 2.157 0.010 . 1 . . . . . 187 MET HE1 . 27780 1 963 . 1 1 80 80 MET HE2 H 1 2.157 0.010 . 1 . . . . . 187 MET HE2 . 27780 1 964 . 1 1 80 80 MET HE3 H 1 2.157 0.010 . 1 . . . . . 187 MET HE3 . 27780 1 965 . 1 1 80 80 MET C C 13 177.679 0.000 . 1 . . . . . 187 MET C . 27780 1 966 . 1 1 80 80 MET CA C 13 57.876 0.032 . 1 . . . . . 187 MET CA . 27780 1 967 . 1 1 80 80 MET CB C 13 33.117 0.028 . 1 . . . . . 187 MET CB . 27780 1 968 . 1 1 80 80 MET CG C 13 32.110 0.047 . 1 . . . . . 187 MET CG . 27780 1 969 . 1 1 80 80 MET CE C 13 18.106 0.036 . 1 . . . . . 187 MET CE . 27780 1 970 . 1 1 81 81 ASP H H 1 8.652 0.005 . 1 . . . . . 188 ASP H . 27780 1 971 . 1 1 81 81 ASP HA H 1 4.368 0.005 . 1 . . . . . 188 ASP HA . 27780 1 972 . 1 1 81 81 ASP HB2 H 1 2.546 0.014 . 2 . . . . . 188 ASP HB2 . 27780 1 973 . 1 1 81 81 ASP HB3 H 1 2.597 0.023 . 2 . . . . . 188 ASP HB3 . 27780 1 974 . 1 1 81 81 ASP C C 13 179.501 0.000 . 1 . . . . . 188 ASP C . 27780 1 975 . 1 1 81 81 ASP CA C 13 57.575 0.005 . 1 . . . . . 188 ASP CA . 27780 1 976 . 1 1 81 81 ASP CB C 13 40.227 0.049 . 1 . . . . . 188 ASP CB . 27780 1 977 . 1 1 81 81 ASP N N 15 117.880 0.046 . 1 . . . . . 188 ASP N . 27780 1 978 . 1 1 82 82 GLY H H 1 8.412 0.007 . 1 . . . . . 189 GLY H . 27780 1 979 . 1 1 82 82 GLY HA2 H 1 3.853 0.004 . 2 . . . . . 189 GLY HA2 . 27780 1 980 . 1 1 82 82 GLY HA3 H 1 3.982 0.005 . 2 . . . . . 189 GLY HA3 . 27780 1 981 . 1 1 82 82 GLY C C 13 176.490 0.000 . 1 . . . . . 189 GLY C . 27780 1 982 . 1 1 82 82 GLY CA C 13 46.539 0.077 . 1 . . . . . 189 GLY CA . 27780 1 983 . 1 1 82 82 GLY N N 15 109.464 0.073 . 1 . . . . . 189 GLY N . 27780 1 984 . 1 1 83 83 ALA H H 1 8.152 0.010 . 1 . . . . . 190 ALA H . 27780 1 985 . 1 1 83 83 ALA HA H 1 3.986 0.008 . 1 . . . . . 190 ALA HA . 27780 1 986 . 1 1 83 83 ALA HB1 H 1 1.491 0.007 . 1 . . . . . 190 ALA HB1 . 27780 1 987 . 1 1 83 83 ALA HB2 H 1 1.491 0.007 . 1 . . . . . 190 ALA HB2 . 27780 1 988 . 1 1 83 83 ALA HB3 H 1 1.491 0.007 . 1 . . . . . 190 ALA HB3 . 27780 1 989 . 1 1 83 83 ALA C C 13 178.869 0.000 . 1 . . . . . 190 ALA C . 27780 1 990 . 1 1 83 83 ALA CA C 13 56.085 0.048 . 1 . . . . . 190 ALA CA . 27780 1 991 . 1 1 83 83 ALA CB C 13 17.869 0.077 . 1 . . . . . 190 ALA CB . 27780 1 992 . 1 1 83 83 ALA N N 15 128.198 0.074 . 1 . . . . . 190 ALA N . 27780 1 993 . 1 1 84 84 ILE H H 1 8.324 0.010 . 1 . . . . . 191 ILE H . 27780 1 994 . 1 1 84 84 ILE HA H 1 3.531 0.012 . 1 . . . . . 191 ILE HA . 27780 1 995 . 1 1 84 84 ILE HB H 1 1.891 0.020 . 1 . . . . . 191 ILE HB . 27780 1 996 . 1 1 84 84 ILE HG12 H 1 0.847 0.000 . 2 . . . . . 191 ILE HG12 . 27780 1 997 . 1 1 84 84 ILE HG13 H 1 1.926 0.000 . 2 . . . . . 191 ILE HG13 . 27780 1 998 . 1 1 84 84 ILE HG21 H 1 0.986 0.015 . 1 . . . . . 191 ILE HG21 . 27780 1 999 . 1 1 84 84 ILE HG22 H 1 0.986 0.015 . 1 . . . . . 191 ILE HG22 . 27780 1 1000 . 1 1 84 84 ILE HG23 H 1 0.986 0.015 . 1 . . . . . 191 ILE HG23 . 27780 1 1001 . 1 1 84 84 ILE HD11 H 1 0.869 0.024 . 1 . . . . . 191 ILE HD11 . 27780 1 1002 . 1 1 84 84 ILE HD12 H 1 0.869 0.024 . 1 . . . . . 191 ILE HD12 . 27780 1 1003 . 1 1 84 84 ILE HD13 H 1 0.869 0.024 . 1 . . . . . 191 ILE HD13 . 27780 1 1004 . 1 1 84 84 ILE C C 13 177.441 0.000 . 1 . . . . . 191 ILE C . 27780 1 1005 . 1 1 84 84 ILE CA C 13 66.194 0.033 . 1 . . . . . 191 ILE CA . 27780 1 1006 . 1 1 84 84 ILE CB C 13 38.635 0.074 . 1 . . . . . 191 ILE CB . 27780 1 1007 . 1 1 84 84 ILE CG1 C 13 30.544 0.063 . 1 . . . . . 191 ILE CG1 . 27780 1 1008 . 1 1 84 84 ILE CG2 C 13 17.226 0.090 . 1 . . . . . 191 ILE CG2 . 27780 1 1009 . 1 1 84 84 ILE CD1 C 13 13.969 0.027 . 1 . . . . . 191 ILE CD1 . 27780 1 1010 . 1 1 84 84 ILE N N 15 117.952 0.067 . 1 . . . . . 191 ILE N . 27780 1 1011 . 1 1 85 85 ALA H H 1 8.022 0.006 . 1 . . . . . 192 ALA H . 27780 1 1012 . 1 1 85 85 ALA HA H 1 4.068 0.005 . 1 . . . . . 192 ALA HA . 27780 1 1013 . 1 1 85 85 ALA HB1 H 1 1.470 0.004 . 1 . . . . . 192 ALA HB1 . 27780 1 1014 . 1 1 85 85 ALA HB2 H 1 1.470 0.004 . 1 . . . . . 192 ALA HB2 . 27780 1 1015 . 1 1 85 85 ALA HB3 H 1 1.470 0.004 . 1 . . . . . 192 ALA HB3 . 27780 1 1016 . 1 1 85 85 ALA C C 13 180.803 0.000 . 1 . . . . . 192 ALA C . 27780 1 1017 . 1 1 85 85 ALA CA C 13 55.359 0.048 . 1 . . . . . 192 ALA CA . 27780 1 1018 . 1 1 85 85 ALA CB C 13 18.045 0.070 . 1 . . . . . 192 ALA CB . 27780 1 1019 . 1 1 85 85 ALA N N 15 120.399 0.123 . 1 . . . . . 192 ALA N . 27780 1 1020 . 1 1 86 86 ALA H H 1 8.051 0.011 . 1 . . . . . 193 ALA H . 27780 1 1021 . 1 1 86 86 ALA HA H 1 4.012 0.012 . 1 . . . . . 193 ALA HA . 27780 1 1022 . 1 1 86 86 ALA HB1 H 1 1.376 0.007 . 1 . . . . . 193 ALA HB1 . 27780 1 1023 . 1 1 86 86 ALA HB2 H 1 1.376 0.007 . 1 . . . . . 193 ALA HB2 . 27780 1 1024 . 1 1 86 86 ALA HB3 H 1 1.376 0.007 . 1 . . . . . 193 ALA HB3 . 27780 1 1025 . 1 1 86 86 ALA C C 13 179.868 0.000 . 1 . . . . . 193 ALA C . 27780 1 1026 . 1 1 86 86 ALA CA C 13 54.745 0.082 . 1 . . . . . 193 ALA CA . 27780 1 1027 . 1 1 86 86 ALA CB C 13 18.492 0.057 . 1 . . . . . 193 ALA CB . 27780 1 1028 . 1 1 86 86 ALA N N 15 119.797 0.095 . 1 . . . . . 193 ALA N . 27780 1 1029 . 1 1 87 87 ALA H H 1 8.313 0.017 . 1 . . . . . 194 ALA H . 27780 1 1030 . 1 1 87 87 ALA HA H 1 3.353 0.011 . 1 . . . . . 194 ALA HA . 27780 1 1031 . 1 1 87 87 ALA HB1 H 1 0.976 0.020 . 1 . . . . . 194 ALA HB1 . 27780 1 1032 . 1 1 87 87 ALA HB2 H 1 0.976 0.020 . 1 . . . . . 194 ALA HB2 . 27780 1 1033 . 1 1 87 87 ALA HB3 H 1 0.976 0.020 . 1 . . . . . 194 ALA HB3 . 27780 1 1034 . 1 1 87 87 ALA C C 13 178.751 0.000 . 1 . . . . . 194 ALA C . 27780 1 1035 . 1 1 87 87 ALA CA C 13 54.911 0.063 . 1 . . . . . 194 ALA CA . 27780 1 1036 . 1 1 87 87 ALA CB C 13 18.511 0.037 . 1 . . . . . 194 ALA CB . 27780 1 1037 . 1 1 87 87 ALA N N 15 123.240 0.071 . 1 . . . . . 194 ALA N . 27780 1 1038 . 1 1 88 88 LEU H H 1 8.378 0.010 . 1 . . . . . 195 LEU H . 27780 1 1039 . 1 1 88 88 LEU HA H 1 4.107 0.006 . 1 . . . . . 195 LEU HA . 27780 1 1040 . 1 1 88 88 LEU HB2 H 1 1.535 0.004 . 2 . . . . . 195 LEU HB2 . 27780 1 1041 . 1 1 88 88 LEU HB3 H 1 1.889 0.008 . 2 . . . . . 195 LEU HB3 . 27780 1 1042 . 1 1 88 88 LEU HG H 1 1.964 0.015 . 1 . . . . . 195 LEU HG . 27780 1 1043 . 1 1 88 88 LEU HD11 H 1 0.971 0.027 . 2 . . . . . 195 LEU HD11 . 27780 1 1044 . 1 1 88 88 LEU HD12 H 1 0.971 0.027 . 2 . . . . . 195 LEU HD12 . 27780 1 1045 . 1 1 88 88 LEU HD13 H 1 0.971 0.027 . 2 . . . . . 195 LEU HD13 . 27780 1 1046 . 1 1 88 88 LEU HD21 H 1 1.037 0.023 . 2 . . . . . 195 LEU HD21 . 27780 1 1047 . 1 1 88 88 LEU HD22 H 1 1.037 0.023 . 2 . . . . . 195 LEU HD22 . 27780 1 1048 . 1 1 88 88 LEU HD23 H 1 1.037 0.023 . 2 . . . . . 195 LEU HD23 . 27780 1 1049 . 1 1 88 88 LEU C C 13 180.339 0.000 . 1 . . . . . 195 LEU C . 27780 1 1050 . 1 1 88 88 LEU CA C 13 57.877 0.074 . 1 . . . . . 195 LEU CA . 27780 1 1051 . 1 1 88 88 LEU CB C 13 41.969 0.045 . 1 . . . . . 195 LEU CB . 27780 1 1052 . 1 1 88 88 LEU CG C 13 27.236 0.026 . 1 . . . . . 195 LEU CG . 27780 1 1053 . 1 1 88 88 LEU CD1 C 13 25.622 0.027 . 2 . . . . . 195 LEU CD1 . 27780 1 1054 . 1 1 88 88 LEU CD2 C 13 23.562 0.023 . 2 . . . . . 195 LEU CD2 . 27780 1 1055 . 1 1 88 88 LEU N N 15 118.643 0.071 . 1 . . . . . 195 LEU N . 27780 1 1056 . 1 1 89 89 LEU H H 1 7.335 0.011 . 1 . . . . . 196 LEU H . 27780 1 1057 . 1 1 89 89 LEU HA H 1 4.080 0.014 . 1 . . . . . 196 LEU HA . 27780 1 1058 . 1 1 89 89 LEU HB2 H 1 1.555 0.013 . 2 . . . . . 196 LEU HB2 . 27780 1 1059 . 1 1 89 89 LEU HB3 H 1 1.670 0.000 . 2 . . . . . 196 LEU HB3 . 27780 1 1060 . 1 1 89 89 LEU HG H 1 1.626 0.006 . 1 . . . . . 196 LEU HG . 27780 1 1061 . 1 1 89 89 LEU HD11 H 1 0.814 0.030 . 2 . . . . . 196 LEU HD11 . 27780 1 1062 . 1 1 89 89 LEU HD12 H 1 0.814 0.030 . 2 . . . . . 196 LEU HD12 . 27780 1 1063 . 1 1 89 89 LEU HD13 H 1 0.814 0.030 . 2 . . . . . 196 LEU HD13 . 27780 1 1064 . 1 1 89 89 LEU HD21 H 1 0.843 0.025 . 2 . . . . . 196 LEU HD21 . 27780 1 1065 . 1 1 89 89 LEU HD22 H 1 0.843 0.025 . 2 . . . . . 196 LEU HD22 . 27780 1 1066 . 1 1 89 89 LEU HD23 H 1 0.843 0.025 . 2 . . . . . 196 LEU HD23 . 27780 1 1067 . 1 1 89 89 LEU C C 13 178.619 0.000 . 1 . . . . . 196 LEU C . 27780 1 1068 . 1 1 89 89 LEU CA C 13 57.339 0.044 . 1 . . . . . 196 LEU CA . 27780 1 1069 . 1 1 89 89 LEU CB C 13 42.229 0.090 . 1 . . . . . 196 LEU CB . 27780 1 1070 . 1 1 89 89 LEU CG C 13 26.975 0.004 . 1 . . . . . 196 LEU CG . 27780 1 1071 . 1 1 89 89 LEU CD1 C 13 23.856 0.000 . 2 . . . . . 196 LEU CD1 . 27780 1 1072 . 1 1 89 89 LEU CD2 C 13 24.587 0.000 . 2 . . . . . 196 LEU CD2 . 27780 1 1073 . 1 1 89 89 LEU N N 15 118.336 0.061 . 1 . . . . . 196 LEU N . 27780 1 1074 . 1 1 90 90 MET H H 1 7.729 0.007 . 1 . . . . . 197 MET H . 27780 1 1075 . 1 1 90 90 MET HA H 1 3.982 0.008 . 1 . . . . . 197 MET HA . 27780 1 1076 . 1 1 90 90 MET HB2 H 1 1.134 0.008 . 2 . . . . . 197 MET HB2 . 27780 1 1077 . 1 1 90 90 MET HB3 H 1 1.403 0.008 . 2 . . . . . 197 MET HB3 . 27780 1 1078 . 1 1 90 90 MET HG2 H 1 1.871 0.014 . 2 . . . . . 197 MET HG2 . 27780 1 1079 . 1 1 90 90 MET HG3 H 1 2.053 0.006 . 2 . . . . . 197 MET HG3 . 27780 1 1080 . 1 1 90 90 MET HE1 H 1 1.857 0.001 . 1 . . . . . 197 MET HE1 . 27780 1 1081 . 1 1 90 90 MET HE2 H 1 1.857 0.001 . 1 . . . . . 197 MET HE2 . 27780 1 1082 . 1 1 90 90 MET HE3 H 1 1.857 0.001 . 1 . . . . . 197 MET HE3 . 27780 1 1083 . 1 1 90 90 MET C C 13 177.759 0.000 . 1 . . . . . 197 MET C . 27780 1 1084 . 1 1 90 90 MET CA C 13 57.876 0.020 . 1 . . . . . 197 MET CA . 27780 1 1085 . 1 1 90 90 MET CB C 13 33.194 0.035 . 1 . . . . . 197 MET CB . 27780 1 1086 . 1 1 90 90 MET CG C 13 31.678 0.055 . 1 . . . . . 197 MET CG . 27780 1 1087 . 1 1 90 90 MET CE C 13 16.941 0.004 . 1 . . . . . 197 MET CE . 27780 1 1088 . 1 1 90 90 MET N N 15 117.277 0.038 . 1 . . . . . 197 MET N . 27780 1 1089 . 1 1 91 91 PHE H H 1 8.456 0.004 . 1 . . . . . 198 PHE H . 27780 1 1090 . 1 1 91 91 PHE HA H 1 4.944 0.013 . 1 . . . . . 198 PHE HA . 27780 1 1091 . 1 1 91 91 PHE HB2 H 1 2.770 0.019 . 2 . . . . . 198 PHE HB2 . 27780 1 1092 . 1 1 91 91 PHE HB3 H 1 3.305 0.011 . 2 . . . . . 198 PHE HB3 . 27780 1 1093 . 1 1 91 91 PHE HD1 H 1 6.749 0.009 . 1 . . . . . 198 PHE HD1 . 27780 1 1094 . 1 1 91 91 PHE HD2 H 1 6.749 0.009 . 1 . . . . . 198 PHE HD2 . 27780 1 1095 . 1 1 91 91 PHE HE1 H 1 6.989 0.010 . 1 . . . . . 198 PHE HE1 . 27780 1 1096 . 1 1 91 91 PHE HE2 H 1 6.989 0.010 . 1 . . . . . 198 PHE HE2 . 27780 1 1097 . 1 1 91 91 PHE C C 13 177.115 0.000 . 1 . . . . . 198 PHE C . 27780 1 1098 . 1 1 91 91 PHE CA C 13 55.856 0.025 . 1 . . . . . 198 PHE CA . 27780 1 1099 . 1 1 91 91 PHE CB C 13 39.574 0.069 . 1 . . . . . 198 PHE CB . 27780 1 1100 . 1 1 91 91 PHE N N 15 115.548 0.057 . 1 . . . . . 198 PHE N . 27780 1 1101 . 1 1 92 92 GLY H H 1 7.749 0.005 . 1 . . . . . 199 GLY H . 27780 1 1102 . 1 1 92 92 GLY HA2 H 1 4.033 0.002 . 2 . . . . . 199 GLY HA2 . 27780 1 1103 . 1 1 92 92 GLY HA3 H 1 4.176 0.008 . 2 . . . . . 199 GLY HA3 . 27780 1 1104 . 1 1 92 92 GLY C C 13 173.075 0.000 . 1 . . . . . 199 GLY C . 27780 1 1105 . 1 1 92 92 GLY CA C 13 45.553 0.094 . 1 . . . . . 199 GLY CA . 27780 1 1106 . 1 1 92 92 GLY N N 15 109.069 0.036 . 1 . . . . . 199 GLY N . 27780 1 1107 . 1 1 93 93 ASP H H 1 8.210 0.004 . 1 . . . . . 200 ASP H . 27780 1 1108 . 1 1 93 93 ASP HA H 1 4.638 0.009 . 1 . . . . . 200 ASP HA . 27780 1 1109 . 1 1 93 93 ASP HB2 H 1 2.666 0.013 . 1 . . . . . 200 ASP HB2 . 27780 1 1110 . 1 1 93 93 ASP C C 13 176.560 0.000 . 1 . . . . . 200 ASP C . 27780 1 1111 . 1 1 93 93 ASP CA C 13 54.118 0.018 . 1 . . . . . 200 ASP CA . 27780 1 1112 . 1 1 93 93 ASP CB C 13 41.866 0.040 . 1 . . . . . 200 ASP CB . 27780 1 1113 . 1 1 93 93 ASP N N 15 118.668 0.065 . 1 . . . . . 200 ASP N . 27780 1 1114 . 1 1 94 94 ALA H H 1 8.429 0.004 . 1 . . . . . 201 ALA H . 27780 1 1115 . 1 1 94 94 ALA HA H 1 4.289 0.003 . 1 . . . . . 201 ALA HA . 27780 1 1116 . 1 1 94 94 ALA HB1 H 1 1.384 0.004 . 1 . . . . . 201 ALA HB1 . 27780 1 1117 . 1 1 94 94 ALA HB2 H 1 1.384 0.004 . 1 . . . . . 201 ALA HB2 . 27780 1 1118 . 1 1 94 94 ALA HB3 H 1 1.384 0.004 . 1 . . . . . 201 ALA HB3 . 27780 1 1119 . 1 1 94 94 ALA C C 13 178.526 0.000 . 1 . . . . . 201 ALA C . 27780 1 1120 . 1 1 94 94 ALA CA C 13 52.902 0.040 . 1 . . . . . 201 ALA CA . 27780 1 1121 . 1 1 94 94 ALA CB C 13 19.244 0.058 . 1 . . . . . 201 ALA CB . 27780 1 1122 . 1 1 94 94 ALA N N 15 124.856 0.047 . 1 . . . . . 201 ALA N . 27780 1 1123 . 1 1 95 95 GLY H H 1 8.532 0.003 . 1 . . . . . 202 GLY H . 27780 1 1124 . 1 1 95 95 GLY HA2 H 1 3.933 0.006 . 1 . . . . . 202 GLY HA2 . 27780 1 1125 . 1 1 95 95 GLY HA3 H 1 3.933 0.006 . 1 . . . . . 202 GLY HA3 . 27780 1 1126 . 1 1 95 95 GLY C C 13 174.843 0.000 . 1 . . . . . 202 GLY C . 27780 1 1127 . 1 1 95 95 GLY CA C 13 45.678 0.102 . 1 . . . . . 202 GLY CA . 27780 1 1128 . 1 1 95 95 GLY N N 15 107.934 0.026 . 1 . . . . . 202 GLY N . 27780 1 1129 . 1 1 96 96 GLY H H 1 8.243 0.003 . 1 . . . . . 203 GLY H . 27780 1 1130 . 1 1 96 96 GLY HA2 H 1 3.967 0.006 . 1 . . . . . 203 GLY HA2 . 27780 1 1131 . 1 1 96 96 GLY HA3 H 1 3.967 0.006 . 1 . . . . . 203 GLY HA3 . 27780 1 1132 . 1 1 96 96 GLY C C 13 174.419 0.000 . 1 . . . . . 203 GLY C . 27780 1 1133 . 1 1 96 96 GLY CA C 13 45.279 0.080 . 1 . . . . . 203 GLY CA . 27780 1 1134 . 1 1 96 96 GLY N N 15 108.412 0.029 . 1 . . . . . 203 GLY N . 27780 1 1135 . 1 1 97 97 GLY H H 1 8.211 0.002 . 1 . . . . . 204 GLY H . 27780 1 1136 . 1 1 97 97 GLY HA2 H 1 4.052 0.001 . 2 . . . . . 204 GLY HA2 . 27780 1 1137 . 1 1 97 97 GLY HA3 H 1 4.071 0.015 . 2 . . . . . 204 GLY HA3 . 27780 1 1138 . 1 1 97 97 GLY CA C 13 44.703 0.092 . 1 . . . . . 204 GLY CA . 27780 1 1139 . 1 1 97 97 GLY N N 15 108.821 0.037 . 1 . . . . . 204 GLY N . 27780 1 1140 . 1 1 98 98 PRO HA H 1 4.376 0.003 . 1 . . . . . 205 PRO HA . 27780 1 1141 . 1 1 98 98 PRO HB2 H 1 1.861 0.005 . 2 . . . . . 205 PRO HB2 . 27780 1 1142 . 1 1 98 98 PRO HB3 H 1 2.226 0.003 . 2 . . . . . 205 PRO HB3 . 27780 1 1143 . 1 1 98 98 PRO HG2 H 1 1.978 0.004 . 1 . . . . . 205 PRO HG2 . 27780 1 1144 . 1 1 98 98 PRO HG3 H 1 1.978 0.004 . 1 . . . . . 205 PRO HG3 . 27780 1 1145 . 1 1 98 98 PRO HD2 H 1 3.592 0.006 . 2 . . . . . 205 PRO HD2 . 27780 1 1146 . 1 1 98 98 PRO HD3 H 1 3.603 0.006 . 2 . . . . . 205 PRO HD3 . 27780 1 1147 . 1 1 98 98 PRO C C 13 177.144 0.000 . 1 . . . . . 205 PRO C . 27780 1 1148 . 1 1 98 98 PRO CA C 13 63.273 0.035 . 1 . . . . . 205 PRO CA . 27780 1 1149 . 1 1 98 98 PRO CB C 13 32.186 0.035 . 1 . . . . . 205 PRO CB . 27780 1 1150 . 1 1 98 98 PRO CG C 13 27.345 0.031 . 1 . . . . . 205 PRO CG . 27780 1 1151 . 1 1 98 98 PRO CD C 13 49.854 0.027 . 1 . . . . . 205 PRO CD . 27780 1 1152 . 1 1 99 99 ARG H H 1 8.438 0.003 . 1 . . . . . 206 ARG H . 27780 1 1153 . 1 1 99 99 ARG HA H 1 4.213 0.024 . 1 . . . . . 206 ARG HA . 27780 1 1154 . 1 1 99 99 ARG HB2 H 1 1.719 0.004 . 2 . . . . . 206 ARG HB2 . 27780 1 1155 . 1 1 99 99 ARG HB3 H 1 1.799 0.004 . 2 . . . . . 206 ARG HB3 . 27780 1 1156 . 1 1 99 99 ARG HG2 H 1 1.598 0.001 . 2 . . . . . 206 ARG HG2 . 27780 1 1157 . 1 1 99 99 ARG HG3 H 1 1.654 0.000 . 2 . . . . . 206 ARG HG3 . 27780 1 1158 . 1 1 99 99 ARG HD2 H 1 3.749 0.000 . 1 . . . . . 206 ARG HD2 . 27780 1 1159 . 1 1 99 99 ARG HD3 H 1 3.749 0.000 . 1 . . . . . 206 ARG HD3 . 27780 1 1160 . 1 1 99 99 ARG CA C 13 56.190 0.092 . 1 . . . . . 206 ARG CA . 27780 1 1161 . 1 1 99 99 ARG CB C 13 30.758 0.020 . 1 . . . . . 206 ARG CB . 27780 1 1162 . 1 1 99 99 ARG CG C 13 27.430 0.000 . 1 . . . . . 206 ARG CG . 27780 1 1163 . 1 1 99 99 ARG N N 15 121.053 0.065 . 1 . . . . . 206 ARG N . 27780 1 1164 . 1 1 107 107 HIS HA H 1 4.550 0.002 . 1 . . . . . 214 HIS HA . 27780 1 1165 . 1 1 107 107 HIS HB2 H 1 3.058 0.004 . 1 . . . . . 214 HIS HB2 . 27780 1 1166 . 1 1 107 107 HIS HB3 H 1 3.058 0.004 . 1 . . . . . 214 HIS HB3 . 27780 1 1167 . 1 1 107 107 HIS C C 13 173.987 0.000 . 1 . . . . . 214 HIS C . 27780 1 1168 . 1 1 107 107 HIS CA C 13 56.076 0.000 . 1 . . . . . 214 HIS CA . 27780 1 1169 . 1 1 107 107 HIS CB C 13 30.432 0.000 . 1 . . . . . 214 HIS CB . 27780 1 1170 . 1 1 108 108 HIS H H 1 8.081 0.017 . 1 . . . . . 215 HIS H . 27780 1 1171 . 1 1 108 108 HIS CA C 13 57.433 0.000 . 1 . . . . . 215 HIS CA . 27780 1 1172 . 1 1 108 108 HIS CB C 13 30.519 0.000 . 1 . . . . . 215 HIS CB . 27780 1 1173 . 1 1 108 108 HIS N N 15 125.338 0.050 . 1 . . . . . 215 HIS N . 27780 1 stop_ save_