data_18906 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18906 _Entry.Title ; 1H, 13C and 15N resonance assignments of an N-terminal domain of CHD4 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-12-17 _Entry.Accession_date 2012-12-17 _Entry.Last_release_date 2013-02-20 _Entry.Original_release_date 2013-02-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone and side chain resonance assignments for an N-terminal domain of the human CHD4 at pH 7.5 and 25 C.' _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ana Silva . PG . 18906 2 Joel Mackay . P. . 18906 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'University of Sydney' . 18906 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18906 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 306 18906 '15N chemical shifts' 74 18906 '1H chemical shifts' 550 18906 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-02-20 2012-12-17 original author . 18906 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18906 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23417793 _Citation.Full_citation . _Citation.Title '1H, 13C and 15N resonance assignments of an N-terminal domain of CHD4' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ana Silva . PG . 18906 1 2 Ann Kwan . H. . 18906 1 3 Joel Mackay . P. . 18906 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CHD4 18906 1 'chromatin remodeling' 18906 1 'N-terminal domain' 18906 1 NuRD 18906 1 'PAR-binding motif' 18906 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18906 _Assembly.ID 1 _Assembly.Name CHD4 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CHD4 1 $CHD4 A . yes native no no . . . 18906 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CHD4 _Entity.Sf_category entity _Entity.Sf_framecode CHD4 _Entity.Entry_ID 18906 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CHD4 _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 ; GPLGSSKEPKSSAQLLEDWG MEDIDHVFSEEDYRTLTNYK AFSQFVRPLIAAKNPKIAVS KMMMVLGAKWREFSTNNPFK GSSGAS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAD90499 . "mKIAA4075 protein [Mus musculus]" . . . . . 94.19 1945 100.00 100.00 7.83e-46 . . . . 18906 1 2 no DBJ BAE26488 . "unnamed protein product [Mus musculus]" . . . . . 94.19 342 100.00 100.00 1.85e-50 . . . . 18906 1 3 no DBJ BAG54725 . "unnamed protein product [Homo sapiens]" . . . . . 94.19 1886 100.00 100.00 8.04e-46 . . . . 18906 1 4 no EMBL CAA60384 . "Mi-2 protein [Homo sapiens]" . . . . . 94.19 1912 100.00 100.00 8.20e-46 . . . . 18906 1 5 no GB AAH14964 . "CHD4 protein, partial [Homo sapiens]" . . . . . 94.19 355 100.00 100.00 2.17e-50 . . . . 18906 1 6 no GB AAH25962 . "CHD4 protein, partial [Homo sapiens]" . . . . . 94.19 355 100.00 100.00 2.17e-50 . . . . 18906 1 7 no GB AAH38596 . "CHD4 protein [Homo sapiens]" . . . . . 94.19 1937 100.00 100.00 8.43e-46 . . . . 18906 1 8 no GB AAH58578 . "Chromodomain helicase DNA binding protein 4 [Mus musculus]" . . . . . 94.19 1915 100.00 100.00 7.24e-46 . . . . 18906 1 9 no GB AAI51804 . "CHD4 protein [Bos taurus]" . . . . . 94.19 354 100.00 100.00 1.86e-50 . . . . 18906 1 10 no REF NP_001193430 . "chromodomain-helicase-DNA-binding protein 4 [Bos taurus]" . . . . . 94.19 1912 100.00 100.00 8.44e-46 . . . . 18906 1 11 no REF NP_001264 . "chromodomain-helicase-DNA-binding protein 4 isoform 1 [Homo sapiens]" . . . . . 94.19 1912 100.00 100.00 7.89e-46 . . . . 18906 1 12 no REF NP_001284482 . "chromodomain-helicase-DNA-binding protein 4 isoform 2 [Homo sapiens]" . . . . . 94.19 1905 100.00 100.00 7.50e-46 . . . . 18906 1 13 no REF NP_666091 . "chromodomain-helicase-DNA-binding protein 4 [Mus musculus]" . . . . . 94.19 1915 100.00 100.00 7.24e-46 . . . . 18906 1 14 no REF XP_001063352 . "PREDICTED: chromodomain-helicase-DNA-binding protein 4 isoform X1 [Rattus norvegicus]" . . . . . 94.19 1921 100.00 100.00 7.69e-46 . . . . 18906 1 15 no SP Q14839 . "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4; AltName: Full=ATP-dependent helicase CHD4; AltName: Ful" . . . . . 94.19 1912 100.00 100.00 7.89e-46 . . . . 18906 1 16 no SP Q6PDQ2 . "RecName: Full=Chromodomain-helicase-DNA-binding protein 4; Short=CHD-4" . . . . . 94.19 1915 100.00 100.00 7.24e-46 . . . . 18906 1 17 no TPG DAA29256 . "TPA: chromodomain helicase DNA binding protein 4 [Bos taurus]" . . . . . 94.19 1912 100.00 100.00 8.44e-46 . . . . 18906 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 1 140 GLY . 18906 1 2 141 PRO . 18906 1 3 142 LEU . 18906 1 4 143 GLY . 18906 1 5 144 SER . 18906 1 6 145 SER . 18906 1 7 146 LYS . 18906 1 8 147 GLU . 18906 1 9 148 PRO . 18906 1 10 149 LYS . 18906 1 11 150 SER . 18906 1 12 151 SER . 18906 1 13 152 ALA . 18906 1 14 153 GLN . 18906 1 15 154 LEU . 18906 1 16 155 LEU . 18906 1 17 156 GLU . 18906 1 18 157 ASP . 18906 1 19 158 TRP . 18906 1 20 159 GLY . 18906 1 21 160 MET . 18906 1 22 161 GLU . 18906 1 23 162 ASP . 18906 1 24 163 ILE . 18906 1 25 164 ASP . 18906 1 26 165 HIS . 18906 1 27 166 VAL . 18906 1 28 167 PHE . 18906 1 29 168 SER . 18906 1 30 169 GLU . 18906 1 31 170 GLU . 18906 1 32 171 ASP . 18906 1 33 172 TYR . 18906 1 34 173 ARG . 18906 1 35 174 THR . 18906 1 36 175 LEU . 18906 1 37 176 THR . 18906 1 38 177 ASN . 18906 1 39 178 TYR . 18906 1 40 179 LYS . 18906 1 41 180 ALA . 18906 1 42 181 PHE . 18906 1 43 182 SER . 18906 1 44 183 GLN . 18906 1 45 184 PHE . 18906 1 46 185 VAL . 18906 1 47 186 ARG . 18906 1 48 187 PRO . 18906 1 49 188 LEU . 18906 1 50 189 ILE . 18906 1 51 190 ALA . 18906 1 52 191 ALA . 18906 1 53 192 LYS . 18906 1 54 193 ASN . 18906 1 55 194 PRO . 18906 1 56 195 LYS . 18906 1 57 196 ILE . 18906 1 58 197 ALA . 18906 1 59 198 VAL . 18906 1 60 199 SER . 18906 1 61 200 LYS . 18906 1 62 201 MET . 18906 1 63 202 MET . 18906 1 64 203 MET . 18906 1 65 204 VAL . 18906 1 66 205 LEU . 18906 1 67 206 GLY . 18906 1 68 207 ALA . 18906 1 69 208 LYS . 18906 1 70 209 TRP . 18906 1 71 210 ARG . 18906 1 72 211 GLU . 18906 1 73 212 PHE . 18906 1 74 213 SER . 18906 1 75 214 THR . 18906 1 76 215 ASN . 18906 1 77 216 ASN . 18906 1 78 217 PRO . 18906 1 79 218 PHE . 18906 1 80 219 LYS . 18906 1 81 220 GLY . 18906 1 82 221 SER . 18906 1 83 222 SER . 18906 1 84 223 GLY . 18906 1 85 224 ALA . 18906 1 86 225 SER . 18906 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18906 1 . PRO 2 2 18906 1 . LEU 3 3 18906 1 . GLY 4 4 18906 1 . SER 5 5 18906 1 . SER 6 6 18906 1 . LYS 7 7 18906 1 . GLU 8 8 18906 1 . PRO 9 9 18906 1 . LYS 10 10 18906 1 . SER 11 11 18906 1 . SER 12 12 18906 1 . ALA 13 13 18906 1 . GLN 14 14 18906 1 . LEU 15 15 18906 1 . LEU 16 16 18906 1 . GLU 17 17 18906 1 . ASP 18 18 18906 1 . TRP 19 19 18906 1 . GLY 20 20 18906 1 . MET 21 21 18906 1 . GLU 22 22 18906 1 . ASP 23 23 18906 1 . ILE 24 24 18906 1 . ASP 25 25 18906 1 . HIS 26 26 18906 1 . VAL 27 27 18906 1 . PHE 28 28 18906 1 . SER 29 29 18906 1 . GLU 30 30 18906 1 . GLU 31 31 18906 1 . ASP 32 32 18906 1 . TYR 33 33 18906 1 . ARG 34 34 18906 1 . THR 35 35 18906 1 . LEU 36 36 18906 1 . THR 37 37 18906 1 . ASN 38 38 18906 1 . TYR 39 39 18906 1 . LYS 40 40 18906 1 . ALA 41 41 18906 1 . PHE 42 42 18906 1 . SER 43 43 18906 1 . GLN 44 44 18906 1 . PHE 45 45 18906 1 . VAL 46 46 18906 1 . ARG 47 47 18906 1 . PRO 48 48 18906 1 . LEU 49 49 18906 1 . ILE 50 50 18906 1 . ALA 51 51 18906 1 . ALA 52 52 18906 1 . LYS 53 53 18906 1 . ASN 54 54 18906 1 . PRO 55 55 18906 1 . LYS 56 56 18906 1 . ILE 57 57 18906 1 . ALA 58 58 18906 1 . VAL 59 59 18906 1 . SER 60 60 18906 1 . LYS 61 61 18906 1 . MET 62 62 18906 1 . MET 63 63 18906 1 . MET 64 64 18906 1 . VAL 65 65 18906 1 . LEU 66 66 18906 1 . GLY 67 67 18906 1 . ALA 68 68 18906 1 . LYS 69 69 18906 1 . TRP 70 70 18906 1 . ARG 71 71 18906 1 . GLU 72 72 18906 1 . PHE 73 73 18906 1 . SER 74 74 18906 1 . THR 75 75 18906 1 . ASN 76 76 18906 1 . ASN 77 77 18906 1 . PRO 78 78 18906 1 . PHE 79 79 18906 1 . LYS 80 80 18906 1 . GLY 81 81 18906 1 . SER 82 82 18906 1 . SER 83 83 18906 1 . GLY 84 84 18906 1 . ALA 85 85 18906 1 . SER 86 86 18906 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 18906 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CHD4 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18906 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 18906 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CHD4 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX6P . . . . . . 18906 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18906 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CHD4 '[U-100% 13C; U-100% 15N]' . . 1 $CHD4 . . 350 . . uM . . . . 18906 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18906 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 18906 1 4 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18906 1 5 DSS 'natural abundance' . . . . . . 0.2 . . mM . . . . 18906 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18906 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 230 . mM 18906 1 pH 7.5 . pH 18906 1 pressure 1 . atm 18906 1 temperature 298 . K 18906 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18906 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18906 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18906 1 processing 18906 1 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 18906 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18906 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18906 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18906 1 2 spectrometer_2 Bruker Avance . 800 . . . 18906 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 18906 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 2 '2D 1H-1H TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 3 '2D DQF-COSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 4 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 5 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 6 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 7 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 8 '3D HBHA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 9 '3D HNHA' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 10 '3D C(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 11 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 12 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 13 '3D H(CCO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 18906 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18906 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $TOPSPIN _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18906 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18906 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18906 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18906 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 18906 _Assigned_chem_shift_list.ID 1 _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 1 '2D 1H-15N HSQC' . . . 18906 1 2 '2D 1H-1H TOCSY' . . . 18906 1 3 '2D DQF-COSY' . . . 18906 1 4 '3D CBCA(CO)NH' . . . 18906 1 5 '3D HNCO' . . . 18906 1 6 '2D 1H-13C HSQC' . . . 18906 1 7 '3D HNCACB' . . . 18906 1 8 '3D HBHA(CO)NH' . . . 18906 1 9 '3D HNHA' . . . 18906 1 10 '3D C(CO)NH' . . . 18906 1 12 '3D HCCH-TOCSY' . . . 18906 1 13 '3D H(CCO)NH' . . . 18906 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.459 0.002 . . . . . . 141 PRO HA . 18906 1 2 . 1 1 2 2 PRO HB2 H 1 2.305 0.001 . . . . . . 141 PRO HB2 . 18906 1 3 . 1 1 2 2 PRO HB3 H 1 1.944 0.004 . . . . . . 141 PRO HB3 . 18906 1 4 . 1 1 2 2 PRO HG2 H 1 2.009 0.003 . . . . . . 141 PRO QG . 18906 1 5 . 1 1 2 2 PRO HG3 H 1 2.009 0.003 . . . . . . 141 PRO QG . 18906 1 6 . 1 1 2 2 PRO HD2 H 1 3.594 0.009 . . . . . . 141 PRO HD2 . 18906 1 7 . 1 1 2 2 PRO HD3 H 1 3.549 0.011 . . . . . . 141 PRO HD3 . 18906 1 8 . 1 1 2 2 PRO CA C 13 63.213 0.047 . . . . . . 141 PRO CA . 18906 1 9 . 1 1 2 2 PRO CB C 13 32.413 0.036 . . . . . . 141 PRO CB . 18906 1 10 . 1 1 2 2 PRO CG C 13 27.110 0.027 . . . . . . 141 PRO CG . 18906 1 11 . 1 1 2 2 PRO CD C 13 49.732 0.032 . . . . . . 141 PRO CD . 18906 1 12 . 1 1 3 3 LEU HA H 1 4.363 0.002 . . . . . . 142 LEU HA . 18906 1 13 . 1 1 3 3 LEU HB2 H 1 1.693 0.006 . . . . . . 142 LEU HB2 . 18906 1 14 . 1 1 3 3 LEU HB3 H 1 1.616 0.005 . . . . . . 142 LEU HB3 . 18906 1 15 . 1 1 3 3 LEU HG H 1 1.665 0.005 . . . . . . 142 LEU HG . 18906 1 16 . 1 1 3 3 LEU HD11 H 1 0.940 0.004 . . . . . . 142 LEU QD1 . 18906 1 17 . 1 1 3 3 LEU HD12 H 1 0.940 0.004 . . . . . . 142 LEU QD1 . 18906 1 18 . 1 1 3 3 LEU HD13 H 1 0.940 0.004 . . . . . . 142 LEU QD1 . 18906 1 19 . 1 1 3 3 LEU HD21 H 1 0.895 0.002 . . . . . . 142 LEU QD2 . 18906 1 20 . 1 1 3 3 LEU HD22 H 1 0.895 0.002 . . . . . . 142 LEU QD2 . 18906 1 21 . 1 1 3 3 LEU HD23 H 1 0.895 0.002 . . . . . . 142 LEU QD2 . 18906 1 22 . 1 1 3 3 LEU CA C 13 55.535 0.026 . . . . . . 142 LEU CA . 18906 1 23 . 1 1 3 3 LEU CB C 13 42.350 0.000 . . . . . . 142 LEU CB . 18906 1 24 . 1 1 3 3 LEU CG C 13 27.105 0.014 . . . . . . 142 LEU CG . 18906 1 25 . 1 1 3 3 LEU CD1 C 13 24.868 0.054 . . . . . . 142 LEU CD1 . 18906 1 26 . 1 1 3 3 LEU CD2 C 13 23.586 0.029 . . . . . . 142 LEU CD2 . 18906 1 27 . 1 1 7 7 LYS HA H 1 4.341 0.003 . . . . . . 146 LYS HA . 18906 1 28 . 1 1 7 7 LYS HB2 H 1 1.859 0.001 . . . . . . 146 LYS HB2 . 18906 1 29 . 1 1 7 7 LYS HB3 H 1 1.725 0.003 . . . . . . 146 LYS HB3 . 18906 1 30 . 1 1 7 7 LYS HG2 H 1 1.447 0.004 . . . . . . 146 LYS HG2 . 18906 1 31 . 1 1 7 7 LYS HG3 H 1 1.401 0.005 . . . . . . 146 LYS HG3 . 18906 1 32 . 1 1 7 7 LYS HD2 H 1 1.669 0.001 . . . . . . 146 LYS QD . 18906 1 33 . 1 1 7 7 LYS HD3 H 1 1.669 0.001 . . . . . . 146 LYS QD . 18906 1 34 . 1 1 7 7 LYS HE2 H 1 2.984 0.002 . . . . . . 146 LYS QE . 18906 1 35 . 1 1 7 7 LYS HE3 H 1 2.984 0.002 . . . . . . 146 LYS QE . 18906 1 36 . 1 1 7 7 LYS CA C 13 56.137 0.099 . . . . . . 146 LYS CA . 18906 1 37 . 1 1 7 7 LYS CB C 13 32.972 0.038 . . . . . . 146 LYS CB . 18906 1 38 . 1 1 7 7 LYS CG C 13 24.830 0.001 . . . . . . 146 LYS CG . 18906 1 39 . 1 1 8 8 GLU H H 1 8.254 0.003 . . . . . . 147 GLU HN . 18906 1 40 . 1 1 8 8 GLU HA H 1 4.539 0.004 . . . . . . 147 GLU HA . 18906 1 41 . 1 1 8 8 GLU HB2 H 1 2.016 0.004 . . . . . . 147 GLU HB2 . 18906 1 42 . 1 1 8 8 GLU HB3 H 1 1.870 0.006 . . . . . . 147 GLU HB3 . 18906 1 43 . 1 1 8 8 GLU HG2 H 1 2.314 0.004 . . . . . . 147 GLU HG2 . 18906 1 44 . 1 1 8 8 GLU HG3 H 1 2.269 0.010 . . . . . . 147 GLU HG3 . 18906 1 45 . 1 1 8 8 GLU CA C 13 54.452 0.067 . . . . . . 147 GLU CA . 18906 1 46 . 1 1 8 8 GLU CB C 13 29.644 0.036 . . . . . . 147 GLU CB . 18906 1 47 . 1 1 8 8 GLU CG C 13 36.001 0.004 . . . . . . 147 GLU CG . 18906 1 48 . 1 1 8 8 GLU N N 15 122.721 0.052 . . . . . . 147 GLU N . 18906 1 49 . 1 1 9 9 PRO HA H 1 4.432 0.014 . . . . . . 148 PRO HA . 18906 1 50 . 1 1 9 9 PRO HB2 H 1 2.260 0.018 . . . . . . 148 PRO HB2 . 18906 1 51 . 1 1 9 9 PRO HB3 H 1 1.880 0.019 . . . . . . 148 PRO HB3 . 18906 1 52 . 1 1 9 9 PRO HG2 H 1 1.963 0.005 . . . . . . 148 PRO QG . 18906 1 53 . 1 1 9 9 PRO HG3 H 1 1.963 0.005 . . . . . . 148 PRO QG . 18906 1 54 . 1 1 9 9 PRO HD2 H 1 3.769 0.014 . . . . . . 148 PRO HD2 . 18906 1 55 . 1 1 9 9 PRO HD3 H 1 3.672 0.003 . . . . . . 148 PRO HD3 . 18906 1 56 . 1 1 9 9 PRO C C 13 176.292 0.000 . . . . . . 148 PRO C . 18906 1 57 . 1 1 9 9 PRO CA C 13 62.995 0.200 . . . . . . 148 PRO CA . 18906 1 58 . 1 1 9 9 PRO CB C 13 32.049 0.179 . . . . . . 148 PRO CB . 18906 1 59 . 1 1 9 9 PRO CG C 13 27.256 0.034 . . . . . . 148 PRO CG . 18906 1 60 . 1 1 9 9 PRO CD C 13 50.652 0.040 . . . . . . 148 PRO CD . 18906 1 61 . 1 1 10 10 LYS H H 1 8.278 0.004 . . . . . . 149 LYS HN . 18906 1 62 . 1 1 10 10 LYS HA H 1 4.281 0.008 . . . . . . 149 LYS HA . 18906 1 63 . 1 1 10 10 LYS HB2 H 1 1.616 0.005 . . . . . . 149 LYS QB . 18906 1 64 . 1 1 10 10 LYS HB3 H 1 1.616 0.005 . . . . . . 149 LYS QB . 18906 1 65 . 1 1 10 10 LYS HG2 H 1 1.505 0.012 . . . . . . 149 LYS HG2 . 18906 1 66 . 1 1 10 10 LYS HG3 H 1 1.386 0.005 . . . . . . 149 LYS HG3 . 18906 1 67 . 1 1 10 10 LYS HD2 H 1 1.478 0.008 . . . . . . 149 LYS QD . 18906 1 68 . 1 1 10 10 LYS HD3 H 1 1.478 0.008 . . . . . . 149 LYS QD . 18906 1 69 . 1 1 10 10 LYS HE2 H 1 2.872 0.009 . . . . . . 149 LYS HE2 . 18906 1 70 . 1 1 10 10 LYS HE3 H 1 2.827 0.015 . . . . . . 149 LYS HE3 . 18906 1 71 . 1 1 10 10 LYS C C 13 176.349 0.000 . . . . . . 149 LYS C . 18906 1 72 . 1 1 10 10 LYS CA C 13 56.493 0.050 . . . . . . 149 LYS CA . 18906 1 73 . 1 1 10 10 LYS CB C 13 33.985 0.080 . . . . . . 149 LYS CB . 18906 1 74 . 1 1 10 10 LYS CG C 13 25.882 0.036 . . . . . . 149 LYS CG . 18906 1 75 . 1 1 10 10 LYS CD C 13 29.571 0.087 . . . . . . 149 LYS CD . 18906 1 76 . 1 1 10 10 LYS CE C 13 41.942 0.058 . . . . . . 149 LYS CE . 18906 1 77 . 1 1 10 10 LYS N N 15 121.503 0.064 . . . . . . 149 LYS N . 18906 1 78 . 1 1 11 11 SER H H 1 8.619 0.005 . . . . . . 150 SER HN . 18906 1 79 . 1 1 11 11 SER HA H 1 4.490 0.034 . . . . . . 150 SER HA . 18906 1 80 . 1 1 11 11 SER HB2 H 1 4.412 0.001 . . . . . . 150 SER HB2 . 18906 1 81 . 1 1 11 11 SER HB3 H 1 4.012 0.012 . . . . . . 150 SER HB3 . 18906 1 82 . 1 1 11 11 SER C C 13 174.432 0.000 . . . . . . 150 SER C . 18906 1 83 . 1 1 11 11 SER CA C 13 56.866 0.107 . . . . . . 150 SER CA . 18906 1 84 . 1 1 11 11 SER CB C 13 64.971 0.064 . . . . . . 150 SER CB . 18906 1 85 . 1 1 11 11 SER N N 15 118.831 0.053 . . . . . . 150 SER N . 18906 1 86 . 1 1 12 12 SER H H 1 10.462 0.007 . . . . . . 151 SER HN . 18906 1 87 . 1 1 12 12 SER HA H 1 3.993 0.063 . . . . . . 151 SER HA . 18906 1 88 . 1 1 12 12 SER HB2 H 1 3.840 0.004 . . . . . . 151 SER HB2 . 18906 1 89 . 1 1 12 12 SER HB3 H 1 3.733 0.010 . . . . . . 151 SER HB3 . 18906 1 90 . 1 1 12 12 SER C C 13 175.721 0.000 . . . . . . 151 SER C . 18906 1 91 . 1 1 12 12 SER CA C 13 62.524 0.048 . . . . . . 151 SER CA . 18906 1 92 . 1 1 12 12 SER CB C 13 62.480 0.047 . . . . . . 151 SER CB . 18906 1 93 . 1 1 12 12 SER N N 15 118.731 0.040 . . . . . . 151 SER N . 18906 1 94 . 1 1 13 13 ALA H H 1 8.251 0.005 . . . . . . 152 ALA HN . 18906 1 95 . 1 1 13 13 ALA HA H 1 4.009 0.009 . . . . . . 152 ALA HA . 18906 1 96 . 1 1 13 13 ALA HB1 H 1 1.411 0.008 . . . . . . 152 ALA HB# . 18906 1 97 . 1 1 13 13 ALA HB2 H 1 1.411 0.008 . . . . . . 152 ALA HB# . 18906 1 98 . 1 1 13 13 ALA HB3 H 1 1.411 0.008 . . . . . . 152 ALA HB# . 18906 1 99 . 1 1 13 13 ALA C C 13 179.996 0.000 . . . . . . 152 ALA C . 18906 1 100 . 1 1 13 13 ALA CA C 13 55.345 0.040 . . . . . . 152 ALA CA . 18906 1 101 . 1 1 13 13 ALA CB C 13 18.552 0.035 . . . . . . 152 ALA CB . 18906 1 102 . 1 1 13 13 ALA N N 15 123.648 0.044 . . . . . . 152 ALA N . 18906 1 103 . 1 1 14 14 GLN H H 1 7.827 0.005 . . . . . . 153 GLN HN . 18906 1 104 . 1 1 14 14 GLN HA H 1 3.885 0.009 . . . . . . 153 GLN HA . 18906 1 105 . 1 1 14 14 GLN HB2 H 1 2.173 0.006 . . . . . . 153 GLN HB2 . 18906 1 106 . 1 1 14 14 GLN HB3 H 1 1.913 0.009 . . . . . . 153 GLN HB3 . 18906 1 107 . 1 1 14 14 GLN HG2 H 1 2.339 0.006 . . . . . . 153 GLN QG . 18906 1 108 . 1 1 14 14 GLN HG3 H 1 2.339 0.006 . . . . . . 153 GLN QG . 18906 1 109 . 1 1 14 14 GLN HE21 H 1 7.789 0.004 . . . . . . 153 GLN HE21 . 18906 1 110 . 1 1 14 14 GLN HE22 H 1 6.864 0.003 . . . . . . 153 GLN HE22 . 18906 1 111 . 1 1 14 14 GLN C C 13 177.349 0.000 . . . . . . 153 GLN C . 18906 1 112 . 1 1 14 14 GLN CA C 13 58.340 0.052 . . . . . . 153 GLN CA . 18906 1 113 . 1 1 14 14 GLN CB C 13 29.137 0.188 . . . . . . 153 GLN CB . 18906 1 114 . 1 1 14 14 GLN CG C 13 34.360 0.029 . . . . . . 153 GLN CG . 18906 1 115 . 1 1 14 14 GLN N N 15 118.739 0.044 . . . . . . 153 GLN N . 18906 1 116 . 1 1 14 14 GLN NE2 N 15 114.017 0.282 . . . . . . 153 GLN NE2 . 18906 1 117 . 1 1 15 15 LEU H H 1 7.928 0.004 . . . . . . 154 LEU HN . 18906 1 118 . 1 1 15 15 LEU HA H 1 3.294 0.005 . . . . . . 154 LEU HA . 18906 1 119 . 1 1 15 15 LEU HB2 H 1 1.597 0.004 . . . . . . 154 LEU HB2 . 18906 1 120 . 1 1 15 15 LEU HB3 H 1 0.643 0.007 . . . . . . 154 LEU HB3 . 18906 1 121 . 1 1 15 15 LEU HG H 1 1.431 0.002 . . . . . . 154 LEU HG . 18906 1 122 . 1 1 15 15 LEU HD11 H 1 0.653 0.003 . . . . . . 154 LEU QD1 . 18906 1 123 . 1 1 15 15 LEU HD12 H 1 0.653 0.003 . . . . . . 154 LEU QD1 . 18906 1 124 . 1 1 15 15 LEU HD13 H 1 0.653 0.003 . . . . . . 154 LEU QD1 . 18906 1 125 . 1 1 15 15 LEU HD21 H 1 0.499 0.002 . . . . . . 154 LEU QD2 . 18906 1 126 . 1 1 15 15 LEU HD22 H 1 0.499 0.002 . . . . . . 154 LEU QD2 . 18906 1 127 . 1 1 15 15 LEU HD23 H 1 0.499 0.002 . . . . . . 154 LEU QD2 . 18906 1 128 . 1 1 15 15 LEU C C 13 177.094 0.000 . . . . . . 154 LEU C . 18906 1 129 . 1 1 15 15 LEU CA C 13 57.603 0.037 . . . . . . 154 LEU CA . 18906 1 130 . 1 1 15 15 LEU CB C 13 41.625 0.048 . . . . . . 154 LEU CB . 18906 1 131 . 1 1 15 15 LEU CG C 13 26.115 0.041 . . . . . . 154 LEU CG . 18906 1 132 . 1 1 15 15 LEU CD1 C 13 26.149 0.011 . . . . . . 154 LEU CD1 . 18906 1 133 . 1 1 15 15 LEU CD2 C 13 22.729 0.068 . . . . . . 154 LEU CD2 . 18906 1 134 . 1 1 15 15 LEU N N 15 119.301 0.054 . . . . . . 154 LEU N . 18906 1 135 . 1 1 16 16 LEU H H 1 7.736 0.009 . . . . . . 155 LEU HN . 18906 1 136 . 1 1 16 16 LEU HA H 1 3.863 0.011 . . . . . . 155 LEU HA . 18906 1 137 . 1 1 16 16 LEU HB2 H 1 1.817 0.009 . . . . . . 155 LEU HB2 . 18906 1 138 . 1 1 16 16 LEU HB3 H 1 1.161 0.006 . . . . . . 155 LEU HB3 . 18906 1 139 . 1 1 16 16 LEU HG H 1 0.915 0.005 . . . . . . 155 LEU HG . 18906 1 140 . 1 1 16 16 LEU HD11 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 141 . 1 1 16 16 LEU HD12 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 142 . 1 1 16 16 LEU HD13 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 143 . 1 1 16 16 LEU HD21 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 144 . 1 1 16 16 LEU HD22 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 145 . 1 1 16 16 LEU HD23 H 1 0.800 0.003 . . . . . . 155 LEU QQD . 18906 1 146 . 1 1 16 16 LEU C C 13 178.816 0.000 . . . . . . 155 LEU C . 18906 1 147 . 1 1 16 16 LEU CA C 13 58.479 0.045 . . . . . . 155 LEU CA . 18906 1 148 . 1 1 16 16 LEU CB C 13 41.080 0.043 . . . . . . 155 LEU CB . 18906 1 149 . 1 1 16 16 LEU CG C 13 24.480 0.060 . . . . . . 155 LEU CG . 18906 1 150 . 1 1 16 16 LEU CD1 C 13 26.219 0.103 . . . . . . 155 LEU CD1 . 18906 1 151 . 1 1 16 16 LEU N N 15 114.563 0.077 . . . . . . 155 LEU N . 18906 1 152 . 1 1 17 17 GLU H H 1 7.871 0.004 . . . . . . 156 GLU HN . 18906 1 153 . 1 1 17 17 GLU HA H 1 4.083 0.012 . . . . . . 156 GLU HA . 18906 1 154 . 1 1 17 17 GLU HB2 H 1 2.115 0.012 . . . . . . 156 GLU HB2 . 18906 1 155 . 1 1 17 17 GLU HB3 H 1 2.059 0.013 . . . . . . 156 GLU HB3 . 18906 1 156 . 1 1 17 17 GLU HG2 H 1 2.335 0.007 . . . . . . 156 GLU HG2 . 18906 1 157 . 1 1 17 17 GLU HG3 H 1 2.219 0.031 . . . . . . 156 GLU HG3 . 18906 1 158 . 1 1 17 17 GLU C C 13 180.122 0.000 . . . . . . 156 GLU C . 18906 1 159 . 1 1 17 17 GLU CA C 13 59.585 0.028 . . . . . . 156 GLU CA . 18906 1 160 . 1 1 17 17 GLU CB C 13 29.760 0.156 . . . . . . 156 GLU CB . 18906 1 161 . 1 1 17 17 GLU CG C 13 36.354 0.033 . . . . . . 156 GLU CG . 18906 1 162 . 1 1 17 17 GLU N N 15 119.087 0.045 . . . . . . 156 GLU N . 18906 1 163 . 1 1 18 18 ASP H H 1 8.607 0.004 . . . . . . 157 ASP HN . 18906 1 164 . 1 1 18 18 ASP HA H 1 4.280 0.009 . . . . . . 157 ASP HA . 18906 1 165 . 1 1 18 18 ASP HB2 H 1 2.522 0.007 . . . . . . 157 ASP HB2 . 18906 1 166 . 1 1 18 18 ASP HB3 H 1 2.325 0.008 . . . . . . 157 ASP HB3 . 18906 1 167 . 1 1 18 18 ASP C C 13 178.264 0.000 . . . . . . 157 ASP C . 18906 1 168 . 1 1 18 18 ASP CA C 13 57.174 0.056 . . . . . . 157 ASP CA . 18906 1 169 . 1 1 18 18 ASP CB C 13 39.760 0.019 . . . . . . 157 ASP CB . 18906 1 170 . 1 1 18 18 ASP N N 15 121.942 0.034 . . . . . . 157 ASP N . 18906 1 171 . 1 1 19 19 TRP H H 1 7.650 0.005 . . . . . . 158 TRP HN . 18906 1 172 . 1 1 19 19 TRP HA H 1 5.097 0.009 . . . . . . 158 TRP HA . 18906 1 173 . 1 1 19 19 TRP HB2 H 1 3.420 0.009 . . . . . . 158 TRP HB2 . 18906 1 174 . 1 1 19 19 TRP HB3 H 1 3.306 0.007 . . . . . . 158 TRP HB3 . 18906 1 175 . 1 1 19 19 TRP HD1 H 1 7.156 0.007 . . . . . . 158 TRP HD1 . 18906 1 176 . 1 1 19 19 TRP HE1 H 1 10.183 0.004 . . . . . . 158 TRP HE1 . 18906 1 177 . 1 1 19 19 TRP HE3 H 1 7.533 0.005 . . . . . . 158 TRP HE3 . 18906 1 178 . 1 1 19 19 TRP HZ2 H 1 7.545 0.002 . . . . . . 158 TRP HZ2 . 18906 1 179 . 1 1 19 19 TRP HZ3 H 1 7.029 0.002 . . . . . . 158 TRP HZ3 . 18906 1 180 . 1 1 19 19 TRP HH2 H 1 7.361 0.002 . . . . . . 158 TRP HH2 . 18906 1 181 . 1 1 19 19 TRP C C 13 176.183 0.000 . . . . . . 158 TRP C . 18906 1 182 . 1 1 19 19 TRP CA C 13 54.664 0.053 . . . . . . 158 TRP CA . 18906 1 183 . 1 1 19 19 TRP CB C 13 29.744 0.044 . . . . . . 158 TRP CB . 18906 1 184 . 1 1 19 19 TRP N N 15 116.894 0.025 . . . . . . 158 TRP N . 18906 1 185 . 1 1 19 19 TRP NE1 N 15 127.478 0.000 . . . . . . 158 TRP NE1 . 18906 1 186 . 1 1 20 20 GLY H H 1 8.179 0.004 . . . . . . 159 GLY HN . 18906 1 187 . 1 1 20 20 GLY HA2 H 1 4.062 0.013 . . . . . . 159 GLY QA . 18906 1 188 . 1 1 20 20 GLY HA3 H 1 4.062 0.013 . . . . . . 159 GLY QA . 18906 1 189 . 1 1 20 20 GLY C C 13 174.521 0.000 . . . . . . 159 GLY C . 18906 1 190 . 1 1 20 20 GLY CA C 13 47.047 0.062 . . . . . . 159 GLY CA . 18906 1 191 . 1 1 20 20 GLY N N 15 111.136 0.052 . . . . . . 159 GLY N . 18906 1 192 . 1 1 21 21 MET H H 1 8.627 0.004 . . . . . . 160 MET HN . 18906 1 193 . 1 1 21 21 MET HA H 1 4.575 0.006 . . . . . . 160 MET HA . 18906 1 194 . 1 1 21 21 MET HB2 H 1 2.125 0.005 . . . . . . 160 MET HB2 . 18906 1 195 . 1 1 21 21 MET HB3 H 1 1.950 0.005 . . . . . . 160 MET HB3 . 18906 1 196 . 1 1 21 21 MET HG2 H 1 2.546 0.002 . . . . . . 160 MET QG . 18906 1 197 . 1 1 21 21 MET HG3 H 1 2.546 0.002 . . . . . . 160 MET QG . 18906 1 198 . 1 1 21 21 MET C C 13 174.019 0.000 . . . . . . 160 MET C . 18906 1 199 . 1 1 21 21 MET CA C 13 55.189 0.065 . . . . . . 160 MET CA . 18906 1 200 . 1 1 21 21 MET CB C 13 37.207 0.164 . . . . . . 160 MET CB . 18906 1 201 . 1 1 21 21 MET CG C 13 33.738 0.024 . . . . . . 160 MET CG . 18906 1 202 . 1 1 21 21 MET N N 15 118.900 0.025 . . . . . . 160 MET N . 18906 1 203 . 1 1 22 22 GLU H H 1 8.798 0.005 . . . . . . 161 GLU HN . 18906 1 204 . 1 1 22 22 GLU HA H 1 4.538 0.008 . . . . . . 161 GLU HA . 18906 1 205 . 1 1 22 22 GLU HB2 H 1 2.059 0.005 . . . . . . 161 GLU HB2 . 18906 1 206 . 1 1 22 22 GLU HB3 H 1 1.781 0.005 . . . . . . 161 GLU HB3 . 18906 1 207 . 1 1 22 22 GLU HG2 H 1 2.402 0.010 . . . . . . 161 GLU HG2 . 18906 1 208 . 1 1 22 22 GLU HG3 H 1 2.321 0.012 . . . . . . 161 GLU HG3 . 18906 1 209 . 1 1 22 22 GLU C C 13 174.909 0.000 . . . . . . 161 GLU C . 18906 1 210 . 1 1 22 22 GLU CA C 13 55.346 0.041 . . . . . . 161 GLU CA . 18906 1 211 . 1 1 22 22 GLU CB C 13 33.231 0.050 . . . . . . 161 GLU CB . 18906 1 212 . 1 1 22 22 GLU CG C 13 36.438 0.018 . . . . . . 161 GLU CG . 18906 1 213 . 1 1 22 22 GLU N N 15 119.822 0.037 . . . . . . 161 GLU N . 18906 1 214 . 1 1 23 23 ASP H H 1 8.658 0.005 . . . . . . 162 ASP HN . 18906 1 215 . 1 1 23 23 ASP HA H 1 4.806 0.006 . . . . . . 162 ASP HA . 18906 1 216 . 1 1 23 23 ASP HB2 H 1 2.786 0.011 . . . . . . 162 ASP HB2 . 18906 1 217 . 1 1 23 23 ASP HB3 H 1 2.615 0.010 . . . . . . 162 ASP HB3 . 18906 1 218 . 1 1 23 23 ASP C C 13 176.243 0.000 . . . . . . 162 ASP C . 18906 1 219 . 1 1 23 23 ASP CA C 13 51.664 0.051 . . . . . . 162 ASP CA . 18906 1 220 . 1 1 23 23 ASP CB C 13 41.500 0.037 . . . . . . 162 ASP CB . 18906 1 221 . 1 1 23 23 ASP N N 15 120.501 0.064 . . . . . . 162 ASP N . 18906 1 222 . 1 1 24 24 ILE H H 1 8.924 0.004 . . . . . . 163 ILE HN . 18906 1 223 . 1 1 24 24 ILE HA H 1 4.072 0.003 . . . . . . 163 ILE HA . 18906 1 224 . 1 1 24 24 ILE HB H 1 2.085 0.001 . . . . . . 163 ILE HB . 18906 1 225 . 1 1 24 24 ILE HG12 H 1 1.516 0.005 . . . . . . 163 ILE HG12 . 18906 1 226 . 1 1 24 24 ILE HG13 H 1 0.993 0.012 . . . . . . 163 ILE HG13 . 18906 1 227 . 1 1 24 24 ILE HG21 H 1 0.908 0.001 . . . . . . 163 ILE QG2 . 18906 1 228 . 1 1 24 24 ILE HG22 H 1 0.908 0.001 . . . . . . 163 ILE QG2 . 18906 1 229 . 1 1 24 24 ILE HG23 H 1 0.908 0.001 . . . . . . 163 ILE QG2 . 18906 1 230 . 1 1 24 24 ILE HD11 H 1 0.809 0.002 . . . . . . 163 ILE QD1 . 18906 1 231 . 1 1 24 24 ILE HD12 H 1 0.809 0.002 . . . . . . 163 ILE QD1 . 18906 1 232 . 1 1 24 24 ILE HD13 H 1 0.809 0.002 . . . . . . 163 ILE QD1 . 18906 1 233 . 1 1 24 24 ILE CA C 13 61.208 0.042 . . . . . . 163 ILE CA . 18906 1 234 . 1 1 24 24 ILE CB C 13 38.864 0.040 . . . . . . 163 ILE CB . 18906 1 235 . 1 1 24 24 ILE CG1 C 13 25.056 0.036 . . . . . . 163 ILE CG1 . 18906 1 236 . 1 1 24 24 ILE CG2 C 13 14.119 0.026 . . . . . . 163 ILE CG2 . 18906 1 237 . 1 1 24 24 ILE CD1 C 13 19.713 0.042 . . . . . . 163 ILE CD1 . 18906 1 238 . 1 1 24 24 ILE N N 15 111.695 0.036 . . . . . . 163 ILE N . 18906 1 239 . 1 1 25 25 ASP HA H 1 4.692 0.008 . . . . . . 164 ASP HA . 18906 1 240 . 1 1 25 25 ASP HB2 H 1 2.703 0.009 . . . . . . 164 ASP HB2 . 18906 1 241 . 1 1 25 25 ASP HB3 H 1 2.593 0.009 . . . . . . 164 ASP HB3 . 18906 1 242 . 1 1 25 25 ASP C C 13 175.489 0.000 . . . . . . 164 ASP C . 18906 1 243 . 1 1 25 25 ASP CA C 13 53.695 0.047 . . . . . . 164 ASP CA . 18906 1 244 . 1 1 25 25 ASP CB C 13 41.464 0.046 . . . . . . 164 ASP CB . 18906 1 245 . 1 1 26 26 HIS H H 1 6.826 0.003 . . . . . . 165 HIS HN . 18906 1 246 . 1 1 26 26 HIS HA H 1 4.051 0.009 . . . . . . 165 HIS HA . 18906 1 247 . 1 1 26 26 HIS HB2 H 1 2.802 0.007 . . . . . . 165 HIS HB2 . 18906 1 248 . 1 1 26 26 HIS HB3 H 1 2.335 0.007 . . . . . . 165 HIS HB3 . 18906 1 249 . 1 1 26 26 HIS HD2 H 1 5.152 0.003 . . . . . . 165 HIS HD2 . 18906 1 250 . 1 1 26 26 HIS C C 13 172.949 0.000 . . . . . . 165 HIS C . 18906 1 251 . 1 1 26 26 HIS CA C 13 57.876 0.029 . . . . . . 165 HIS CA . 18906 1 252 . 1 1 26 26 HIS CB C 13 33.004 0.132 . . . . . . 165 HIS CB . 18906 1 253 . 1 1 26 26 HIS N N 15 119.485 0.023 . . . . . . 165 HIS N . 18906 1 254 . 1 1 27 27 VAL H H 1 7.538 0.004 . . . . . . 166 VAL HN . 18906 1 255 . 1 1 27 27 VAL HA H 1 3.925 0.009 . . . . . . 166 VAL HA . 18906 1 256 . 1 1 27 27 VAL HB H 1 1.732 0.006 . . . . . . 166 VAL HB . 18906 1 257 . 1 1 27 27 VAL HG11 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 258 . 1 1 27 27 VAL HG12 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 259 . 1 1 27 27 VAL HG13 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 260 . 1 1 27 27 VAL HG21 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 261 . 1 1 27 27 VAL HG22 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 262 . 1 1 27 27 VAL HG23 H 1 0.869 0.003 . . . . . . 166 VAL QQG . 18906 1 263 . 1 1 27 27 VAL C C 13 175.071 0.000 . . . . . . 166 VAL C . 18906 1 264 . 1 1 27 27 VAL CA C 13 61.046 0.055 . . . . . . 166 VAL CA . 18906 1 265 . 1 1 27 27 VAL CB C 13 32.523 0.250 . . . . . . 166 VAL CB . 18906 1 266 . 1 1 27 27 VAL CG1 C 13 20.872 0.118 . . . . . . 166 VAL CG1 . 18906 1 267 . 1 1 27 27 VAL CG2 C 13 20.749 0.111 . . . . . . 166 VAL CG2 . 18906 1 268 . 1 1 27 27 VAL N N 15 129.111 0.026 . . . . . . 166 VAL N . 18906 1 269 . 1 1 28 28 PHE H H 1 8.184 0.004 . . . . . . 167 PHE HN . 18906 1 270 . 1 1 28 28 PHE HA H 1 4.922 0.007 . . . . . . 167 PHE HA . 18906 1 271 . 1 1 28 28 PHE HB2 H 1 3.088 0.006 . . . . . . 167 PHE HB2 . 18906 1 272 . 1 1 28 28 PHE HB3 H 1 2.987 0.005 . . . . . . 167 PHE HB3 . 18906 1 273 . 1 1 28 28 PHE HD1 H 1 7.667 0.003 . . . . . . 167 PHE QD . 18906 1 274 . 1 1 28 28 PHE HD2 H 1 7.667 0.003 . . . . . . 167 PHE QD . 18906 1 275 . 1 1 28 28 PHE HE1 H 1 7.302 0.005 . . . . . . 167 PHE QE . 18906 1 276 . 1 1 28 28 PHE HE2 H 1 7.302 0.005 . . . . . . 167 PHE QE . 18906 1 277 . 1 1 28 28 PHE HZ H 1 7.044 0.001 . . . . . . 167 PHE HZ . 18906 1 278 . 1 1 28 28 PHE C C 13 175.634 0.000 . . . . . . 167 PHE C . 18906 1 279 . 1 1 28 28 PHE CA C 13 59.599 0.047 . . . . . . 167 PHE CA . 18906 1 280 . 1 1 28 28 PHE CB C 13 39.134 0.032 . . . . . . 167 PHE CB . 18906 1 281 . 1 1 28 28 PHE N N 15 124.989 0.041 . . . . . . 167 PHE N . 18906 1 282 . 1 1 29 29 SER H H 1 9.515 0.006 . . . . . . 168 SER HN . 18906 1 283 . 1 1 29 29 SER HA H 1 4.854 0.007 . . . . . . 168 SER HA . 18906 1 284 . 1 1 29 29 SER HB2 H 1 4.444 0.017 . . . . . . 168 SER HB2 . 18906 1 285 . 1 1 29 29 SER HB3 H 1 4.082 0.014 . . . . . . 168 SER HB3 . 18906 1 286 . 1 1 29 29 SER C C 13 174.481 0.000 . . . . . . 168 SER C . 18906 1 287 . 1 1 29 29 SER CA C 13 56.229 0.034 . . . . . . 168 SER CA . 18906 1 288 . 1 1 29 29 SER CB C 13 67.193 0.075 . . . . . . 168 SER CB . 18906 1 289 . 1 1 29 29 SER N N 15 120.817 0.043 . . . . . . 168 SER N . 18906 1 290 . 1 1 30 30 GLU H H 1 9.002 0.004 . . . . . . 169 GLU HN . 18906 1 291 . 1 1 30 30 GLU HA H 1 4.013 0.007 . . . . . . 169 GLU HA . 18906 1 292 . 1 1 30 30 GLU HB2 H 1 2.011 0.007 . . . . . . 169 GLU QB . 18906 1 293 . 1 1 30 30 GLU HB3 H 1 2.011 0.007 . . . . . . 169 GLU QB . 18906 1 294 . 1 1 30 30 GLU HG2 H 1 2.125 0.004 . . . . . . 169 GLU QG . 18906 1 295 . 1 1 30 30 GLU HG3 H 1 2.125 0.004 . . . . . . 169 GLU QG . 18906 1 296 . 1 1 30 30 GLU C C 13 177.897 0.000 . . . . . . 169 GLU C . 18906 1 297 . 1 1 30 30 GLU CA C 13 61.048 0.043 . . . . . . 169 GLU CA . 18906 1 298 . 1 1 30 30 GLU CB C 13 29.550 0.214 . . . . . . 169 GLU CB . 18906 1 299 . 1 1 30 30 GLU CG C 13 36.732 0.026 . . . . . . 169 GLU CG . 18906 1 300 . 1 1 30 30 GLU N N 15 120.418 0.035 . . . . . . 169 GLU N . 18906 1 301 . 1 1 31 31 GLU H H 1 8.289 0.005 . . . . . . 170 GLU HN . 18906 1 302 . 1 1 31 31 GLU HA H 1 4.059 0.013 . . . . . . 170 GLU HA . 18906 1 303 . 1 1 31 31 GLU HB2 H 1 2.063 0.009 . . . . . . 170 GLU HB2 . 18906 1 304 . 1 1 31 31 GLU HB3 H 1 1.957 0.011 . . . . . . 170 GLU HB3 . 18906 1 305 . 1 1 31 31 GLU HG2 H 1 2.340 0.008 . . . . . . 170 GLU HG2 . 18906 1 306 . 1 1 31 31 GLU HG3 H 1 2.245 0.016 . . . . . . 170 GLU HG3 . 18906 1 307 . 1 1 31 31 GLU C C 13 179.116 0.000 . . . . . . 170 GLU C . 18906 1 308 . 1 1 31 31 GLU CA C 13 59.575 0.041 . . . . . . 170 GLU CA . 18906 1 309 . 1 1 31 31 GLU CB C 13 29.402 0.197 . . . . . . 170 GLU CB . 18906 1 310 . 1 1 31 31 GLU CG C 13 36.193 0.000 . . . . . . 170 GLU CG . 18906 1 311 . 1 1 31 31 GLU N N 15 117.606 0.031 . . . . . . 170 GLU N . 18906 1 312 . 1 1 32 32 ASP H H 1 7.996 0.004 . . . . . . 171 ASP HN . 18906 1 313 . 1 1 32 32 ASP HA H 1 4.355 0.008 . . . . . . 171 ASP HA . 18906 1 314 . 1 1 32 32 ASP HB2 H 1 3.372 0.008 . . . . . . 171 ASP HB2 . 18906 1 315 . 1 1 32 32 ASP HB3 H 1 2.655 0.004 . . . . . . 171 ASP HB3 . 18906 1 316 . 1 1 32 32 ASP C C 13 178.297 0.000 . . . . . . 171 ASP C . 18906 1 317 . 1 1 32 32 ASP CA C 13 58.140 0.042 . . . . . . 171 ASP CA . 18906 1 318 . 1 1 32 32 ASP CB C 13 41.060 0.077 . . . . . . 171 ASP CB . 18906 1 319 . 1 1 32 32 ASP N N 15 122.589 0.052 . . . . . . 171 ASP N . 18906 1 320 . 1 1 33 33 TYR H H 1 8.113 0.004 . . . . . . 172 TYR HN . 18906 1 321 . 1 1 33 33 TYR HA H 1 4.410 0.042 . . . . . . 172 TYR HA . 18906 1 322 . 1 1 33 33 TYR HB2 H 1 3.254 0.009 . . . . . . 172 TYR HB2 . 18906 1 323 . 1 1 33 33 TYR HB3 H 1 3.007 0.006 . . . . . . 172 TYR HB3 . 18906 1 324 . 1 1 33 33 TYR HD1 H 1 6.753 0.001 . . . . . . 172 TYR QD . 18906 1 325 . 1 1 33 33 TYR HD2 H 1 6.753 0.001 . . . . . . 172 TYR QD . 18906 1 326 . 1 1 33 33 TYR HE1 H 1 6.299 0.002 . . . . . . 172 TYR QE . 18906 1 327 . 1 1 33 33 TYR HE2 H 1 6.299 0.002 . . . . . . 172 TYR QE . 18906 1 328 . 1 1 33 33 TYR C C 13 177.382 0.000 . . . . . . 172 TYR C . 18906 1 329 . 1 1 33 33 TYR CA C 13 62.413 0.080 . . . . . . 172 TYR CA . 18906 1 330 . 1 1 33 33 TYR CB C 13 37.960 0.049 . . . . . . 172 TYR CB . 18906 1 331 . 1 1 33 33 TYR N N 15 118.236 0.107 . . . . . . 172 TYR N . 18906 1 332 . 1 1 34 34 ARG H H 1 7.971 0.003 . . . . . . 173 ARG HN . 18906 1 333 . 1 1 34 34 ARG HA H 1 4.121 0.006 . . . . . . 173 ARG HA . 18906 1 334 . 1 1 34 34 ARG HB2 H 1 1.896 0.013 . . . . . . 173 ARG HB2 . 18906 1 335 . 1 1 34 34 ARG HB3 H 1 1.833 0.019 . . . . . . 173 ARG HB3 . 18906 1 336 . 1 1 34 34 ARG HG2 H 1 1.654 0.005 . . . . . . 173 ARG HG2 . 18906 1 337 . 1 1 34 34 ARG HG3 H 1 1.447 0.003 . . . . . . 173 ARG HG3 . 18906 1 338 . 1 1 34 34 ARG HD2 H 1 3.062 0.005 . . . . . . 173 ARG QD . 18906 1 339 . 1 1 34 34 ARG HD3 H 1 3.062 0.005 . . . . . . 173 ARG QD . 18906 1 340 . 1 1 34 34 ARG C C 13 176.955 0.000 . . . . . . 173 ARG C . 18906 1 341 . 1 1 34 34 ARG CA C 13 58.204 0.041 . . . . . . 173 ARG CA . 18906 1 342 . 1 1 34 34 ARG CB C 13 31.181 0.018 . . . . . . 173 ARG CB . 18906 1 343 . 1 1 34 34 ARG CG C 13 28.321 0.017 . . . . . . 173 ARG CG . 18906 1 344 . 1 1 34 34 ARG CD C 13 43.262 0.038 . . . . . . 173 ARG CD . 18906 1 345 . 1 1 34 34 ARG N N 15 115.394 0.025 . . . . . . 173 ARG N . 18906 1 346 . 1 1 35 35 THR H H 1 7.736 0.005 . . . . . . 174 THR HN . 18906 1 347 . 1 1 35 35 THR HA H 1 4.441 0.007 . . . . . . 174 THR HA . 18906 1 348 . 1 1 35 35 THR HB H 1 4.181 0.007 . . . . . . 174 THR HB . 18906 1 349 . 1 1 35 35 THR HG21 H 1 1.268 0.003 . . . . . . 174 THR QG2 . 18906 1 350 . 1 1 35 35 THR HG22 H 1 1.268 0.003 . . . . . . 174 THR QG2 . 18906 1 351 . 1 1 35 35 THR HG23 H 1 1.268 0.003 . . . . . . 174 THR QG2 . 18906 1 352 . 1 1 35 35 THR C C 13 175.549 0.000 . . . . . . 174 THR C . 18906 1 353 . 1 1 35 35 THR CA C 13 64.007 0.058 . . . . . . 174 THR CA . 18906 1 354 . 1 1 35 35 THR CB C 13 70.672 0.135 . . . . . . 174 THR CB . 18906 1 355 . 1 1 35 35 THR CG2 C 13 21.667 0.043 . . . . . . 174 THR CG2 . 18906 1 356 . 1 1 35 35 THR N N 15 109.734 0.038 . . . . . . 174 THR N . 18906 1 357 . 1 1 36 36 LEU H H 1 8.733 0.003 . . . . . . 175 LEU HN . 18906 1 358 . 1 1 36 36 LEU HA H 1 4.664 0.007 . . . . . . 175 LEU HA . 18906 1 359 . 1 1 36 36 LEU HB2 H 1 2.561 0.008 . . . . . . 175 LEU HB2 . 18906 1 360 . 1 1 36 36 LEU HB3 H 1 1.016 0.006 . . . . . . 175 LEU HB3 . 18906 1 361 . 1 1 36 36 LEU HG H 1 1.953 0.007 . . . . . . 175 LEU HG . 18906 1 362 . 1 1 36 36 LEU HD11 H 1 0.586 0.004 . . . . . . 175 LEU QD1 . 18906 1 363 . 1 1 36 36 LEU HD12 H 1 0.586 0.004 . . . . . . 175 LEU QD1 . 18906 1 364 . 1 1 36 36 LEU HD13 H 1 0.586 0.004 . . . . . . 175 LEU QD1 . 18906 1 365 . 1 1 36 36 LEU HD21 H 1 0.470 0.005 . . . . . . 175 LEU QD2 . 18906 1 366 . 1 1 36 36 LEU HD22 H 1 0.470 0.005 . . . . . . 175 LEU QD2 . 18906 1 367 . 1 1 36 36 LEU HD23 H 1 0.470 0.005 . . . . . . 175 LEU QD2 . 18906 1 368 . 1 1 36 36 LEU C C 13 175.777 0.000 . . . . . . 175 LEU C . 18906 1 369 . 1 1 36 36 LEU CA C 13 53.216 0.038 . . . . . . 175 LEU CA . 18906 1 370 . 1 1 36 36 LEU CB C 13 39.080 0.084 . . . . . . 175 LEU CB . 18906 1 371 . 1 1 36 36 LEU CG C 13 25.653 0.052 . . . . . . 175 LEU CG . 18906 1 372 . 1 1 36 36 LEU CD1 C 13 22.279 0.020 . . . . . . 175 LEU CD1 . 18906 1 373 . 1 1 36 36 LEU CD2 C 13 25.671 0.032 . . . . . . 175 LEU CD2 . 18906 1 374 . 1 1 36 36 LEU N N 15 124.972 0.028 . . . . . . 175 LEU N . 18906 1 375 . 1 1 37 37 THR H H 1 7.614 0.003 . . . . . . 176 THR HN . 18906 1 376 . 1 1 37 37 THR HA H 1 4.520 0.008 . . . . . . 176 THR HA . 18906 1 377 . 1 1 37 37 THR HB H 1 4.708 0.008 . . . . . . 176 THR HB . 18906 1 378 . 1 1 37 37 THR HG21 H 1 1.205 0.005 . . . . . . 176 THR QG2 . 18906 1 379 . 1 1 37 37 THR HG22 H 1 1.205 0.005 . . . . . . 176 THR QG2 . 18906 1 380 . 1 1 37 37 THR HG23 H 1 1.205 0.005 . . . . . . 176 THR QG2 . 18906 1 381 . 1 1 37 37 THR C C 13 173.777 0.000 . . . . . . 176 THR C . 18906 1 382 . 1 1 37 37 THR CA C 13 62.297 0.163 . . . . . . 176 THR CA . 18906 1 383 . 1 1 37 37 THR CB C 13 69.407 0.039 . . . . . . 176 THR CB . 18906 1 384 . 1 1 37 37 THR CG2 C 13 22.378 0.031 . . . . . . 176 THR CG2 . 18906 1 385 . 1 1 37 37 THR N N 15 107.155 0.039 . . . . . . 176 THR N . 18906 1 386 . 1 1 38 38 ASN H H 1 7.644 0.005 . . . . . . 177 ASN HN . 18906 1 387 . 1 1 38 38 ASN HA H 1 4.917 0.006 . . . . . . 177 ASN HA . 18906 1 388 . 1 1 38 38 ASN HB2 H 1 3.058 0.007 . . . . . . 177 ASN HB2 . 18906 1 389 . 1 1 38 38 ASN HB3 H 1 2.949 0.004 . . . . . . 177 ASN HB3 . 18906 1 390 . 1 1 38 38 ASN CA C 13 51.980 0.025 . . . . . . 177 ASN CA . 18906 1 391 . 1 1 38 38 ASN CB C 13 41.147 0.009 . . . . . . 177 ASN CB . 18906 1 392 . 1 1 38 38 ASN N N 15 114.327 0.034 . . . . . . 177 ASN N . 18906 1 393 . 1 1 39 39 TYR HA H 1 2.579 0.006 . . . . . . 178 TYR HA . 18906 1 394 . 1 1 39 39 TYR HB2 H 1 2.418 0.005 . . . . . . 178 TYR HB2 . 18906 1 395 . 1 1 39 39 TYR HB3 H 1 2.016 0.009 . . . . . . 178 TYR HB3 . 18906 1 396 . 1 1 39 39 TYR HD1 H 1 6.472 0.004 . . . . . . 178 TYR QD . 18906 1 397 . 1 1 39 39 TYR HD2 H 1 6.472 0.004 . . . . . . 178 TYR QD . 18906 1 398 . 1 1 39 39 TYR HE1 H 1 6.656 0.003 . . . . . . 178 TYR QE . 18906 1 399 . 1 1 39 39 TYR HE2 H 1 6.656 0.003 . . . . . . 178 TYR QE . 18906 1 400 . 1 1 39 39 TYR C C 13 176.462 0.000 . . . . . . 178 TYR C . 18906 1 401 . 1 1 39 39 TYR CA C 13 60.608 0.024 . . . . . . 178 TYR CA . 18906 1 402 . 1 1 39 39 TYR CB C 13 37.959 0.031 . . . . . . 178 TYR CB . 18906 1 403 . 1 1 40 40 LYS H H 1 8.426 0.008 . . . . . . 179 LYS HN . 18906 1 404 . 1 1 40 40 LYS HA H 1 3.636 0.004 . . . . . . 179 LYS HA . 18906 1 405 . 1 1 40 40 LYS HB2 H 1 1.826 0.014 . . . . . . 179 LYS HB2 . 18906 1 406 . 1 1 40 40 LYS HB3 H 1 1.793 0.008 . . . . . . 179 LYS HB3 . 18906 1 407 . 1 1 40 40 LYS HG2 H 1 1.444 0.006 . . . . . . 179 LYS HG2 . 18906 1 408 . 1 1 40 40 LYS HG3 H 1 1.302 0.002 . . . . . . 179 LYS HG3 . 18906 1 409 . 1 1 40 40 LYS HD2 H 1 1.663 0.005 . . . . . . 179 LYS QD . 18906 1 410 . 1 1 40 40 LYS HD3 H 1 1.663 0.005 . . . . . . 179 LYS QD . 18906 1 411 . 1 1 40 40 LYS HE2 H 1 2.943 0.008 . . . . . . 179 LYS QE . 18906 1 412 . 1 1 40 40 LYS HE3 H 1 2.943 0.008 . . . . . . 179 LYS QE . 18906 1 413 . 1 1 40 40 LYS C C 13 177.997 0.000 . . . . . . 179 LYS C . 18906 1 414 . 1 1 40 40 LYS CA C 13 60.330 0.117 . . . . . . 179 LYS CA . 18906 1 415 . 1 1 40 40 LYS CB C 13 31.632 0.040 . . . . . . 179 LYS CB . 18906 1 416 . 1 1 40 40 LYS CG C 13 25.072 0.039 . . . . . . 179 LYS CG . 18906 1 417 . 1 1 40 40 LYS CD C 13 29.147 0.105 . . . . . . 179 LYS CD . 18906 1 418 . 1 1 40 40 LYS CE C 13 41.880 0.089 . . . . . . 179 LYS CE . 18906 1 419 . 1 1 40 40 LYS N N 15 122.462 0.058 . . . . . . 179 LYS N . 18906 1 420 . 1 1 41 41 ALA H H 1 8.160 0.003 . . . . . . 180 ALA HN . 18906 1 421 . 1 1 41 41 ALA HA H 1 4.072 0.007 . . . . . . 180 ALA HA . 18906 1 422 . 1 1 41 41 ALA HB1 H 1 1.504 0.006 . . . . . . 180 ALA HB# . 18906 1 423 . 1 1 41 41 ALA HB2 H 1 1.504 0.006 . . . . . . 180 ALA HB# . 18906 1 424 . 1 1 41 41 ALA HB3 H 1 1.504 0.006 . . . . . . 180 ALA HB# . 18906 1 425 . 1 1 41 41 ALA C C 13 180.170 0.000 . . . . . . 180 ALA C . 18906 1 426 . 1 1 41 41 ALA CA C 13 54.729 0.045 . . . . . . 180 ALA CA . 18906 1 427 . 1 1 41 41 ALA CB C 13 18.734 0.038 . . . . . . 180 ALA CB . 18906 1 428 . 1 1 41 41 ALA N N 15 121.582 0.045 . . . . . . 180 ALA N . 18906 1 429 . 1 1 42 42 PHE H H 1 8.202 0.005 . . . . . . 181 PHE HN . 18906 1 430 . 1 1 42 42 PHE HA H 1 3.970 0.005 . . . . . . 181 PHE HA . 18906 1 431 . 1 1 42 42 PHE HB2 H 1 2.878 0.004 . . . . . . 181 PHE HB2 . 18906 1 432 . 1 1 42 42 PHE HB3 H 1 2.642 0.007 . . . . . . 181 PHE HB3 . 18906 1 433 . 1 1 42 42 PHE C C 13 176.301 0.000 . . . . . . 181 PHE C . 18906 1 434 . 1 1 42 42 PHE CA C 13 62.210 0.030 . . . . . . 181 PHE CA . 18906 1 435 . 1 1 42 42 PHE CB C 13 40.941 0.047 . . . . . . 181 PHE CB . 18906 1 436 . 1 1 42 42 PHE N N 15 118.022 0.020 . . . . . . 181 PHE N . 18906 1 437 . 1 1 43 43 SER H H 1 8.961 0.005 . . . . . . 182 SER HN . 18906 1 438 . 1 1 43 43 SER HA H 1 3.714 0.009 . . . . . . 182 SER HA . 18906 1 439 . 1 1 43 43 SER HB2 H 1 3.554 0.005 . . . . . . 182 SER HB2 . 18906 1 440 . 1 1 43 43 SER HB3 H 1 3.392 0.005 . . . . . . 182 SER HB3 . 18906 1 441 . 1 1 43 43 SER C C 13 175.308 0.000 . . . . . . 182 SER C . 18906 1 442 . 1 1 43 43 SER CA C 13 62.143 0.012 . . . . . . 182 SER CA . 18906 1 443 . 1 1 43 43 SER CB C 13 62.405 0.127 . . . . . . 182 SER CB . 18906 1 444 . 1 1 43 43 SER N N 15 115.061 0.025 . . . . . . 182 SER N . 18906 1 445 . 1 1 44 44 GLN H H 1 7.799 0.003 . . . . . . 183 GLN HN . 18906 1 446 . 1 1 44 44 GLN HA H 1 3.921 0.010 . . . . . . 183 GLN HA . 18906 1 447 . 1 1 44 44 GLN HB2 H 1 2.144 0.006 . . . . . . 183 GLN HB2 . 18906 1 448 . 1 1 44 44 GLN HB3 H 1 2.055 0.007 . . . . . . 183 GLN HB3 . 18906 1 449 . 1 1 44 44 GLN HG2 H 1 2.492 0.004 . . . . . . 183 GLN HG2 . 18906 1 450 . 1 1 44 44 GLN HG3 H 1 2.364 0.003 . . . . . . 183 GLN HG3 . 18906 1 451 . 1 1 44 44 GLN HE21 H 1 7.471 0.004 . . . . . . 183 GLN HE21 . 18906 1 452 . 1 1 44 44 GLN HE22 H 1 6.860 0.002 . . . . . . 183 GLN HE22 . 18906 1 453 . 1 1 44 44 GLN C C 13 176.429 0.000 . . . . . . 183 GLN C . 18906 1 454 . 1 1 44 44 GLN CA C 13 58.546 0.031 . . . . . . 183 GLN CA . 18906 1 455 . 1 1 44 44 GLN CB C 13 28.423 0.181 . . . . . . 183 GLN CB . 18906 1 456 . 1 1 44 44 GLN CG C 13 34.273 0.013 . . . . . . 183 GLN CG . 18906 1 457 . 1 1 44 44 GLN N N 15 119.440 0.050 . . . . . . 183 GLN N . 18906 1 458 . 1 1 44 44 GLN NE2 N 15 111.284 0.103 . . . . . . 183 GLN NE2 . 18906 1 459 . 1 1 45 45 PHE H H 1 7.244 0.004 . . . . . . 184 PHE HN . 18906 1 460 . 1 1 45 45 PHE HA H 1 4.259 0.007 . . . . . . 184 PHE HA . 18906 1 461 . 1 1 45 45 PHE HB2 H 1 3.082 0.009 . . . . . . 184 PHE HB2 . 18906 1 462 . 1 1 45 45 PHE HB3 H 1 2.873 0.006 . . . . . . 184 PHE HB3 . 18906 1 463 . 1 1 45 45 PHE HD1 H 1 6.925 0.003 . . . . . . 184 PHE QD . 18906 1 464 . 1 1 45 45 PHE HD2 H 1 6.925 0.003 . . . . . . 184 PHE QD . 18906 1 465 . 1 1 45 45 PHE HE1 H 1 6.700 0.005 . . . . . . 184 PHE QE . 18906 1 466 . 1 1 45 45 PHE HE2 H 1 6.700 0.005 . . . . . . 184 PHE QE . 18906 1 467 . 1 1 45 45 PHE HZ H 1 6.670 0.001 . . . . . . 184 PHE HZ . 18906 1 468 . 1 1 45 45 PHE C C 13 175.685 0.000 . . . . . . 184 PHE C . 18906 1 469 . 1 1 45 45 PHE CA C 13 60.202 0.084 . . . . . . 184 PHE CA . 18906 1 470 . 1 1 45 45 PHE CB C 13 40.715 0.104 . . . . . . 184 PHE CB . 18906 1 471 . 1 1 45 45 PHE N N 15 117.107 0.021 . . . . . . 184 PHE N . 18906 1 472 . 1 1 46 46 VAL H H 1 8.312 0.005 . . . . . . 185 VAL HN . 18906 1 473 . 1 1 46 46 VAL HA H 1 3.434 0.006 . . . . . . 185 VAL HA . 18906 1 474 . 1 1 46 46 VAL HB H 1 1.334 0.004 . . . . . . 185 VAL HB . 18906 1 475 . 1 1 46 46 VAL HG11 H 1 0.790 0.002 . . . . . . 185 VAL QG1 . 18906 1 476 . 1 1 46 46 VAL HG12 H 1 0.790 0.002 . . . . . . 185 VAL QG1 . 18906 1 477 . 1 1 46 46 VAL HG13 H 1 0.790 0.002 . . . . . . 185 VAL QG1 . 18906 1 478 . 1 1 46 46 VAL HG21 H 1 0.415 0.001 . . . . . . 185 VAL QG2 . 18906 1 479 . 1 1 46 46 VAL HG22 H 1 0.415 0.001 . . . . . . 185 VAL QG2 . 18906 1 480 . 1 1 46 46 VAL HG23 H 1 0.415 0.001 . . . . . . 185 VAL QG2 . 18906 1 481 . 1 1 46 46 VAL C C 13 176.788 0.000 . . . . . . 185 VAL C . 18906 1 482 . 1 1 46 46 VAL CA C 13 65.137 0.021 . . . . . . 185 VAL CA . 18906 1 483 . 1 1 46 46 VAL CB C 13 32.827 0.046 . . . . . . 185 VAL CB . 18906 1 484 . 1 1 46 46 VAL CG1 C 13 22.489 0.030 . . . . . . 185 VAL CG1 . 18906 1 485 . 1 1 46 46 VAL CG2 C 13 24.001 0.037 . . . . . . 185 VAL CG2 . 18906 1 486 . 1 1 46 46 VAL N N 15 114.723 0.036 . . . . . . 185 VAL N . 18906 1 487 . 1 1 47 47 ARG H H 1 8.814 0.006 . . . . . . 186 ARG HN . 18906 1 488 . 1 1 47 47 ARG HA H 1 4.058 0.004 . . . . . . 186 ARG HA . 18906 1 489 . 1 1 47 47 ARG HB2 H 1 1.793 0.006 . . . . . . 186 ARG HB2 . 18906 1 490 . 1 1 47 47 ARG HB3 H 1 1.648 0.002 . . . . . . 186 ARG HB3 . 18906 1 491 . 1 1 47 47 ARG HG2 H 1 2.015 0.006 . . . . . . 186 ARG HG2 . 18906 1 492 . 1 1 47 47 ARG HG3 H 1 1.935 0.004 . . . . . . 186 ARG HG3 . 18906 1 493 . 1 1 47 47 ARG HD2 H 1 3.108 0.004 . . . . . . 186 ARG QD . 18906 1 494 . 1 1 47 47 ARG HD3 H 1 3.108 0.004 . . . . . . 186 ARG QD . 18906 1 495 . 1 1 47 47 ARG CA C 13 62.382 0.046 . . . . . . 186 ARG CA . 18906 1 496 . 1 1 47 47 ARG CB C 13 26.927 0.208 . . . . . . 186 ARG CB . 18906 1 497 . 1 1 47 47 ARG CG C 13 27.858 0.008 . . . . . . 186 ARG CG . 18906 1 498 . 1 1 47 47 ARG CD C 13 43.554 0.013 . . . . . . 186 ARG CD . 18906 1 499 . 1 1 47 47 ARG N N 15 122.429 0.047 . . . . . . 186 ARG N . 18906 1 500 . 1 1 48 48 PRO HA H 1 4.308 0.006 . . . . . . 187 PRO HA . 18906 1 501 . 1 1 48 48 PRO HB2 H 1 2.221 0.006 . . . . . . 187 PRO HB2 . 18906 1 502 . 1 1 48 48 PRO HB3 H 1 1.685 0.005 . . . . . . 187 PRO HB3 . 18906 1 503 . 1 1 48 48 PRO HG2 H 1 1.878 0.004 . . . . . . 187 PRO QG . 18906 1 504 . 1 1 48 48 PRO HG3 H 1 1.878 0.004 . . . . . . 187 PRO QG . 18906 1 505 . 1 1 48 48 PRO HD2 H 1 3.429 0.002 . . . . . . 187 PRO QD . 18906 1 506 . 1 1 48 48 PRO HD3 H 1 3.429 0.002 . . . . . . 187 PRO QD . 18906 1 507 . 1 1 48 48 PRO C C 13 179.267 0.000 . . . . . . 187 PRO C . 18906 1 508 . 1 1 48 48 PRO CA C 13 65.597 0.128 . . . . . . 187 PRO CA . 18906 1 509 . 1 1 48 48 PRO CB C 13 30.959 0.029 . . . . . . 187 PRO CB . 18906 1 510 . 1 1 48 48 PRO CG C 13 28.339 0.022 . . . . . . 187 PRO CG . 18906 1 511 . 1 1 48 48 PRO CD C 13 50.523 0.026 . . . . . . 187 PRO CD . 18906 1 512 . 1 1 49 49 LEU H H 1 6.871 0.003 . . . . . . 188 LEU HN . 18906 1 513 . 1 1 49 49 LEU HA H 1 4.088 0.006 . . . . . . 188 LEU HA . 18906 1 514 . 1 1 49 49 LEU HB2 H 1 2.008 0.004 . . . . . . 188 LEU HB2 . 18906 1 515 . 1 1 49 49 LEU HB3 H 1 1.417 0.004 . . . . . . 188 LEU HB3 . 18906 1 516 . 1 1 49 49 LEU HG H 1 1.589 0.004 . . . . . . 188 LEU HG . 18906 1 517 . 1 1 49 49 LEU HD11 H 1 0.617 0.004 . . . . . . 188 LEU QD1 . 18906 1 518 . 1 1 49 49 LEU HD12 H 1 0.617 0.004 . . . . . . 188 LEU QD1 . 18906 1 519 . 1 1 49 49 LEU HD13 H 1 0.617 0.004 . . . . . . 188 LEU QD1 . 18906 1 520 . 1 1 49 49 LEU HD21 H 1 0.357 0.004 . . . . . . 188 LEU QD2 . 18906 1 521 . 1 1 49 49 LEU HD22 H 1 0.357 0.004 . . . . . . 188 LEU QD2 . 18906 1 522 . 1 1 49 49 LEU HD23 H 1 0.357 0.004 . . . . . . 188 LEU QD2 . 18906 1 523 . 1 1 49 49 LEU C C 13 179.793 0.000 . . . . . . 188 LEU C . 18906 1 524 . 1 1 49 49 LEU CA C 13 57.096 0.044 . . . . . . 188 LEU CA . 18906 1 525 . 1 1 49 49 LEU CB C 13 41.192 0.040 . . . . . . 188 LEU CB . 18906 1 526 . 1 1 49 49 LEU CG C 13 26.005 0.082 . . . . . . 188 LEU CG . 18906 1 527 . 1 1 49 49 LEU CD1 C 13 21.155 0.043 . . . . . . 188 LEU CD1 . 18906 1 528 . 1 1 49 49 LEU CD2 C 13 25.839 0.015 . . . . . . 188 LEU CD2 . 18906 1 529 . 1 1 49 49 LEU N N 15 116.188 0.039 . . . . . . 188 LEU N . 18906 1 530 . 1 1 50 50 ILE H H 1 7.842 0.008 . . . . . . 189 ILE HN . 18906 1 531 . 1 1 50 50 ILE HA H 1 3.518 0.006 . . . . . . 189 ILE HA . 18906 1 532 . 1 1 50 50 ILE HB H 1 1.891 0.004 . . . . . . 189 ILE HB . 18906 1 533 . 1 1 50 50 ILE HG12 H 1 1.815 0.003 . . . . . . 189 ILE HG12 . 18906 1 534 . 1 1 50 50 ILE HG13 H 1 0.890 0.007 . . . . . . 189 ILE HG13 . 18906 1 535 . 1 1 50 50 ILE HG21 H 1 0.986 0.003 . . . . . . 189 ILE QG2 . 18906 1 536 . 1 1 50 50 ILE HG22 H 1 0.986 0.003 . . . . . . 189 ILE QG2 . 18906 1 537 . 1 1 50 50 ILE HG23 H 1 0.986 0.003 . . . . . . 189 ILE QG2 . 18906 1 538 . 1 1 50 50 ILE HD11 H 1 0.910 0.003 . . . . . . 189 ILE QD1 . 18906 1 539 . 1 1 50 50 ILE HD12 H 1 0.910 0.003 . . . . . . 189 ILE QD1 . 18906 1 540 . 1 1 50 50 ILE HD13 H 1 0.910 0.003 . . . . . . 189 ILE QD1 . 18906 1 541 . 1 1 50 50 ILE C C 13 178.177 0.000 . . . . . . 189 ILE C . 18906 1 542 . 1 1 50 50 ILE CA C 13 64.969 0.024 . . . . . . 189 ILE CA . 18906 1 543 . 1 1 50 50 ILE CB C 13 37.962 0.051 . . . . . . 189 ILE CB . 18906 1 544 . 1 1 50 50 ILE CG1 C 13 28.848 0.089 . . . . . . 189 ILE CG1 . 18906 1 545 . 1 1 50 50 ILE CG2 C 13 17.795 0.071 . . . . . . 189 ILE CG2 . 18906 1 546 . 1 1 50 50 ILE CD1 C 13 14.858 0.065 . . . . . . 189 ILE CD1 . 18906 1 547 . 1 1 50 50 ILE N N 15 119.708 0.051 . . . . . . 189 ILE N . 18906 1 548 . 1 1 51 51 ALA H H 1 8.447 0.005 . . . . . . 190 ALA HN . 18906 1 549 . 1 1 51 51 ALA HA H 1 3.934 0.008 . . . . . . 190 ALA HA . 18906 1 550 . 1 1 51 51 ALA HB1 H 1 1.351 0.006 . . . . . . 190 ALA HB# . 18906 1 551 . 1 1 51 51 ALA HB2 H 1 1.351 0.006 . . . . . . 190 ALA HB# . 18906 1 552 . 1 1 51 51 ALA HB3 H 1 1.351 0.006 . . . . . . 190 ALA HB# . 18906 1 553 . 1 1 51 51 ALA C C 13 178.663 0.000 . . . . . . 190 ALA C . 18906 1 554 . 1 1 51 51 ALA CA C 13 54.643 0.068 . . . . . . 190 ALA CA . 18906 1 555 . 1 1 51 51 ALA CB C 13 18.242 0.109 . . . . . . 190 ALA CB . 18906 1 556 . 1 1 51 51 ALA N N 15 122.597 0.034 . . . . . . 190 ALA N . 18906 1 557 . 1 1 52 52 ALA H H 1 7.635 0.004 . . . . . . 191 ALA HN . 18906 1 558 . 1 1 52 52 ALA HA H 1 4.043 0.007 . . . . . . 191 ALA HA . 18906 1 559 . 1 1 52 52 ALA HB1 H 1 1.455 0.006 . . . . . . 191 ALA HB# . 18906 1 560 . 1 1 52 52 ALA HB2 H 1 1.455 0.006 . . . . . . 191 ALA HB# . 18906 1 561 . 1 1 52 52 ALA HB3 H 1 1.455 0.006 . . . . . . 191 ALA HB# . 18906 1 562 . 1 1 52 52 ALA C C 13 179.357 0.000 . . . . . . 191 ALA C . 18906 1 563 . 1 1 52 52 ALA CA C 13 54.432 0.102 . . . . . . 191 ALA CA . 18906 1 564 . 1 1 52 52 ALA CB C 13 18.263 0.080 . . . . . . 191 ALA CB . 18906 1 565 . 1 1 52 52 ALA N N 15 117.631 0.046 . . . . . . 191 ALA N . 18906 1 566 . 1 1 53 53 LYS H H 1 6.739 0.004 . . . . . . 192 LYS HN . 18906 1 567 . 1 1 53 53 LYS HA H 1 4.236 0.007 . . . . . . 192 LYS HA . 18906 1 568 . 1 1 53 53 LYS HB2 H 1 1.775 0.010 . . . . . . 192 LYS QB . 18906 1 569 . 1 1 53 53 LYS HB3 H 1 1.775 0.010 . . . . . . 192 LYS QB . 18906 1 570 . 1 1 53 53 LYS HG2 H 1 1.481 0.004 . . . . . . 192 LYS QG . 18906 1 571 . 1 1 53 53 LYS HG3 H 1 1.481 0.004 . . . . . . 192 LYS QG . 18906 1 572 . 1 1 53 53 LYS HD2 H 1 1.703 0.015 . . . . . . 192 LYS HD2 . 18906 1 573 . 1 1 53 53 LYS HD3 H 1 1.603 0.005 . . . . . . 192 LYS HD3 . 18906 1 574 . 1 1 53 53 LYS HE2 H 1 2.993 0.014 . . . . . . 192 LYS QE . 18906 1 575 . 1 1 53 53 LYS HE3 H 1 2.993 0.014 . . . . . . 192 LYS QE . 18906 1 576 . 1 1 53 53 LYS C C 13 175.346 0.000 . . . . . . 192 LYS C . 18906 1 577 . 1 1 53 53 LYS CA C 13 55.756 0.102 . . . . . . 192 LYS CA . 18906 1 578 . 1 1 53 53 LYS CB C 13 34.169 0.041 . . . . . . 192 LYS CB . 18906 1 579 . 1 1 53 53 LYS CG C 13 24.448 0.029 . . . . . . 192 LYS CG . 18906 1 580 . 1 1 53 53 LYS CD C 13 28.317 0.020 . . . . . . 192 LYS CD . 18906 1 581 . 1 1 53 53 LYS CE C 13 41.954 0.095 . . . . . . 192 LYS CE . 18906 1 582 . 1 1 53 53 LYS N N 15 113.084 0.036 . . . . . . 192 LYS N . 18906 1 583 . 1 1 54 54 ASN H H 1 7.546 0.006 . . . . . . 193 ASN HN . 18906 1 584 . 1 1 54 54 ASN HA H 1 5.332 0.005 . . . . . . 193 ASN HA . 18906 1 585 . 1 1 54 54 ASN HB2 H 1 2.736 0.011 . . . . . . 193 ASN HB2 . 18906 1 586 . 1 1 54 54 ASN HB3 H 1 2.525 0.007 . . . . . . 193 ASN HB3 . 18906 1 587 . 1 1 54 54 ASN HD21 H 1 8.804 0.004 . . . . . . 193 ASN HD21 . 18906 1 588 . 1 1 54 54 ASN HD22 H 1 6.889 0.006 . . . . . . 193 ASN HD22 . 18906 1 589 . 1 1 54 54 ASN CA C 13 50.756 0.028 . . . . . . 193 ASN CA . 18906 1 590 . 1 1 54 54 ASN CB C 13 41.193 0.016 . . . . . . 193 ASN CB . 18906 1 591 . 1 1 54 54 ASN N N 15 114.907 0.051 . . . . . . 193 ASN N . 18906 1 592 . 1 1 54 54 ASN ND2 N 15 117.041 0.093 . . . . . . 193 ASN ND2 . 18906 1 593 . 1 1 55 55 PRO HA H 1 4.550 0.006 . . . . . . 194 PRO HA . 18906 1 594 . 1 1 55 55 PRO HB2 H 1 2.400 0.006 . . . . . . 194 PRO HB2 . 18906 1 595 . 1 1 55 55 PRO HB3 H 1 1.930 0.011 . . . . . . 194 PRO HB3 . 18906 1 596 . 1 1 55 55 PRO HG2 H 1 2.026 0.005 . . . . . . 194 PRO HG2 . 18906 1 597 . 1 1 55 55 PRO HG3 H 1 1.962 0.006 . . . . . . 194 PRO HG3 . 18906 1 598 . 1 1 55 55 PRO HD2 H 1 3.663 0.003 . . . . . . 194 PRO HD2 . 18906 1 599 . 1 1 55 55 PRO HD3 H 1 3.393 0.003 . . . . . . 194 PRO HD3 . 18906 1 600 . 1 1 55 55 PRO C C 13 177.903 0.000 . . . . . . 194 PRO C . 18906 1 601 . 1 1 55 55 PRO CA C 13 65.011 0.032 . . . . . . 194 PRO CA . 18906 1 602 . 1 1 55 55 PRO CB C 13 32.367 0.035 . . . . . . 194 PRO CB . 18906 1 603 . 1 1 55 55 PRO CG C 13 27.454 0.051 . . . . . . 194 PRO CG . 18906 1 604 . 1 1 55 55 PRO CD C 13 50.196 0.026 . . . . . . 194 PRO CD . 18906 1 605 . 1 1 56 56 LYS H H 1 8.489 0.005 . . . . . . 195 LYS HN . 18906 1 606 . 1 1 56 56 LYS HA H 1 4.408 0.006 . . . . . . 195 LYS HA . 18906 1 607 . 1 1 56 56 LYS HB2 H 1 2.041 0.006 . . . . . . 195 LYS HB2 . 18906 1 608 . 1 1 56 56 LYS HB3 H 1 1.712 0.011 . . . . . . 195 LYS HB3 . 18906 1 609 . 1 1 56 56 LYS HG2 H 1 1.416 0.018 . . . . . . 195 LYS HG2 . 18906 1 610 . 1 1 56 56 LYS HG3 H 1 1.350 0.011 . . . . . . 195 LYS HG3 . 18906 1 611 . 1 1 56 56 LYS HD2 H 1 1.663 0.009 . . . . . . 195 LYS QD . 18906 1 612 . 1 1 56 56 LYS HD3 H 1 1.663 0.009 . . . . . . 195 LYS QD . 18906 1 613 . 1 1 56 56 LYS HE2 H 1 2.981 0.009 . . . . . . 195 LYS QE . 18906 1 614 . 1 1 56 56 LYS HE3 H 1 2.981 0.009 . . . . . . 195 LYS QE . 18906 1 615 . 1 1 56 56 LYS C C 13 176.064 0.000 . . . . . . 195 LYS C . 18906 1 616 . 1 1 56 56 LYS CA C 13 55.288 0.142 . . . . . . 195 LYS CA . 18906 1 617 . 1 1 56 56 LYS CB C 13 31.770 0.085 . . . . . . 195 LYS CB . 18906 1 618 . 1 1 56 56 LYS CG C 13 25.241 0.032 . . . . . . 195 LYS CG . 18906 1 619 . 1 1 56 56 LYS CD C 13 29.010 0.031 . . . . . . 195 LYS CD . 18906 1 620 . 1 1 56 56 LYS CE C 13 41.933 0.088 . . . . . . 195 LYS CE . 18906 1 621 . 1 1 56 56 LYS N N 15 116.121 0.105 . . . . . . 195 LYS N . 18906 1 622 . 1 1 57 57 ILE H H 1 7.450 0.005 . . . . . . 196 ILE HN . 18906 1 623 . 1 1 57 57 ILE HA H 1 3.956 0.007 . . . . . . 196 ILE HA . 18906 1 624 . 1 1 57 57 ILE HB H 1 1.898 0.003 . . . . . . 196 ILE HB . 18906 1 625 . 1 1 57 57 ILE HG12 H 1 1.494 0.007 . . . . . . 196 ILE HG12 . 18906 1 626 . 1 1 57 57 ILE HG13 H 1 1.347 0.004 . . . . . . 196 ILE HG13 . 18906 1 627 . 1 1 57 57 ILE HG21 H 1 1.008 0.003 . . . . . . 196 ILE QG2 . 18906 1 628 . 1 1 57 57 ILE HG22 H 1 1.008 0.003 . . . . . . 196 ILE QG2 . 18906 1 629 . 1 1 57 57 ILE HG23 H 1 1.008 0.003 . . . . . . 196 ILE QG2 . 18906 1 630 . 1 1 57 57 ILE HD11 H 1 0.891 0.003 . . . . . . 196 ILE QD1 . 18906 1 631 . 1 1 57 57 ILE HD12 H 1 0.891 0.003 . . . . . . 196 ILE QD1 . 18906 1 632 . 1 1 57 57 ILE HD13 H 1 0.891 0.003 . . . . . . 196 ILE QD1 . 18906 1 633 . 1 1 57 57 ILE C C 13 174.029 0.000 . . . . . . 196 ILE C . 18906 1 634 . 1 1 57 57 ILE CA C 13 61.033 0.054 . . . . . . 196 ILE CA . 18906 1 635 . 1 1 57 57 ILE CB C 13 38.908 0.114 . . . . . . 196 ILE CB . 18906 1 636 . 1 1 57 57 ILE CG1 C 13 29.486 0.037 . . . . . . 196 ILE CG1 . 18906 1 637 . 1 1 57 57 ILE CG2 C 13 17.374 0.049 . . . . . . 196 ILE CG2 . 18906 1 638 . 1 1 57 57 ILE CD1 C 13 13.073 0.042 . . . . . . 196 ILE CD1 . 18906 1 639 . 1 1 57 57 ILE N N 15 121.112 0.022 . . . . . . 196 ILE N . 18906 1 640 . 1 1 58 58 ALA H H 1 7.916 0.003 . . . . . . 197 ALA HN . 18906 1 641 . 1 1 58 58 ALA HA H 1 4.309 0.008 . . . . . . 197 ALA HA . 18906 1 642 . 1 1 58 58 ALA HB1 H 1 1.382 0.007 . . . . . . 197 ALA HB# . 18906 1 643 . 1 1 58 58 ALA HB2 H 1 1.382 0.007 . . . . . . 197 ALA HB# . 18906 1 644 . 1 1 58 58 ALA HB3 H 1 1.382 0.007 . . . . . . 197 ALA HB# . 18906 1 645 . 1 1 58 58 ALA CA C 13 51.999 0.040 . . . . . . 197 ALA CA . 18906 1 646 . 1 1 58 58 ALA CB C 13 19.505 0.064 . . . . . . 197 ALA CB . 18906 1 647 . 1 1 58 58 ALA N N 15 129.567 0.052 . . . . . . 197 ALA N . 18906 1 648 . 1 1 59 59 VAL H H 1 8.738 0.015 . . . . . . 198 VAL HN . 18906 1 649 . 1 1 59 59 VAL HA H 1 3.658 0.001 . . . . . . 198 VAL HA . 18906 1 650 . 1 1 59 59 VAL HB H 1 2.080 0.001 . . . . . . 198 VAL HB . 18906 1 651 . 1 1 59 59 VAL HG11 H 1 1.084 0.001 . . . . . . 198 VAL QG1 . 18906 1 652 . 1 1 59 59 VAL HG12 H 1 1.084 0.001 . . . . . . 198 VAL QG1 . 18906 1 653 . 1 1 59 59 VAL HG13 H 1 1.084 0.001 . . . . . . 198 VAL QG1 . 18906 1 654 . 1 1 59 59 VAL HG21 H 1 0.977 0.001 . . . . . . 198 VAL QG2 . 18906 1 655 . 1 1 59 59 VAL HG22 H 1 0.977 0.001 . . . . . . 198 VAL QG2 . 18906 1 656 . 1 1 59 59 VAL HG23 H 1 0.977 0.001 . . . . . . 198 VAL QG2 . 18906 1 657 . 1 1 59 59 VAL CA C 13 66.701 0.025 . . . . . . 198 VAL CA . 18906 1 658 . 1 1 59 59 VAL CB C 13 31.660 0.023 . . . . . . 198 VAL CB . 18906 1 659 . 1 1 59 59 VAL CG1 C 13 22.547 0.008 . . . . . . 198 VAL CG1 . 18906 1 660 . 1 1 59 59 VAL CG2 C 13 20.985 0.012 . . . . . . 198 VAL CG2 . 18906 1 661 . 1 1 59 59 VAL N N 15 123.180 0.028 . . . . . . 198 VAL N . 18906 1 662 . 1 1 60 60 SER HA H 1 4.112 0.004 . . . . . . 199 SER HA . 18906 1 663 . 1 1 60 60 SER HB2 H 1 3.886 0.009 . . . . . . 199 SER HB2 . 18906 1 664 . 1 1 60 60 SER HB3 H 1 3.815 0.008 . . . . . . 199 SER HB3 . 18906 1 665 . 1 1 60 60 SER C C 13 177.107 0.000 . . . . . . 199 SER C . 18906 1 666 . 1 1 60 60 SER CA C 13 61.121 0.044 . . . . . . 199 SER CA . 18906 1 667 . 1 1 60 60 SER CB C 13 61.583 0.043 . . . . . . 199 SER CB . 18906 1 668 . 1 1 61 61 LYS H H 1 6.540 0.006 . . . . . . 200 LYS HN . 18906 1 669 . 1 1 61 61 LYS HA H 1 3.890 0.008 . . . . . . 200 LYS HA . 18906 1 670 . 1 1 61 61 LYS HB2 H 1 1.557 0.006 . . . . . . 200 LYS HB2 . 18906 1 671 . 1 1 61 61 LYS HB3 H 1 1.174 0.005 . . . . . . 200 LYS HB3 . 18906 1 672 . 1 1 61 61 LYS HG2 H 1 0.900 0.006 . . . . . . 200 LYS HG2 . 18906 1 673 . 1 1 61 61 LYS HG3 H 1 -0.203 0.004 . . . . . . 200 LYS HG3 . 18906 1 674 . 1 1 61 61 LYS HD2 H 1 1.025 0.004 . . . . . . 200 LYS HD2 . 18906 1 675 . 1 1 61 61 LYS HD3 H 1 0.317 0.005 . . . . . . 200 LYS HD3 . 18906 1 676 . 1 1 61 61 LYS HE2 H 1 2.007 0.002 . . . . . . 200 LYS QE . 18906 1 677 . 1 1 61 61 LYS HE3 H 1 2.007 0.002 . . . . . . 200 LYS QE . 18906 1 678 . 1 1 61 61 LYS C C 13 177.712 0.000 . . . . . . 200 LYS C . 18906 1 679 . 1 1 61 61 LYS CA C 13 59.386 0.040 . . . . . . 200 LYS CA . 18906 1 680 . 1 1 61 61 LYS CB C 13 32.615 0.044 . . . . . . 200 LYS CB . 18906 1 681 . 1 1 61 61 LYS CG C 13 26.315 0.061 . . . . . . 200 LYS CG . 18906 1 682 . 1 1 61 61 LYS CD C 13 29.364 0.033 . . . . . . 200 LYS CD . 18906 1 683 . 1 1 61 61 LYS CE C 13 41.648 0.082 . . . . . . 200 LYS CE . 18906 1 684 . 1 1 61 61 LYS N N 15 121.818 0.081 . . . . . . 200 LYS N . 18906 1 685 . 1 1 62 62 MET H H 1 8.279 0.005 . . . . . . 201 MET HN . 18906 1 686 . 1 1 62 62 MET HA H 1 4.165 0.011 . . . . . . 201 MET HA . 18906 1 687 . 1 1 62 62 MET HB2 H 1 2.485 0.010 . . . . . . 201 MET HB2 . 18906 1 688 . 1 1 62 62 MET HB3 H 1 2.415 0.014 . . . . . . 201 MET HB3 . 18906 1 689 . 1 1 62 62 MET HE1 H 1 2.012 0.010 . . . . . . 201 MET HE# . 18906 1 690 . 1 1 62 62 MET HE2 H 1 2.012 0.010 . . . . . . 201 MET HE# . 18906 1 691 . 1 1 62 62 MET HE3 H 1 2.012 0.010 . . . . . . 201 MET HE# . 18906 1 692 . 1 1 62 62 MET C C 13 177.719 0.000 . . . . . . 201 MET C . 18906 1 693 . 1 1 62 62 MET CA C 13 58.928 0.063 . . . . . . 201 MET CA . 18906 1 694 . 1 1 62 62 MET CB C 13 32.210 0.108 . . . . . . 201 MET CB . 18906 1 695 . 1 1 62 62 MET CE C 13 18.444 0.000 . . . . . . 201 MET CE . 18906 1 696 . 1 1 62 62 MET N N 15 119.464 0.048 . . . . . . 201 MET N . 18906 1 697 . 1 1 63 63 MET H H 1 8.550 0.005 . . . . . . 202 MET HN . 18906 1 698 . 1 1 63 63 MET HA H 1 4.366 0.005 . . . . . . 202 MET HA . 18906 1 699 . 1 1 63 63 MET HB2 H 1 2.247 0.013 . . . . . . 202 MET HB2 . 18906 1 700 . 1 1 63 63 MET HB3 H 1 2.188 0.010 . . . . . . 202 MET HB3 . 18906 1 701 . 1 1 63 63 MET HG2 H 1 2.834 0.007 . . . . . . 202 MET HG2 . 18906 1 702 . 1 1 63 63 MET HG3 H 1 2.778 0.010 . . . . . . 202 MET HG3 . 18906 1 703 . 1 1 63 63 MET C C 13 179.581 0.000 . . . . . . 202 MET C . 18906 1 704 . 1 1 63 63 MET CA C 13 58.171 0.066 . . . . . . 202 MET CA . 18906 1 705 . 1 1 63 63 MET CB C 13 31.192 0.047 . . . . . . 202 MET CB . 18906 1 706 . 1 1 63 63 MET CG C 13 32.070 0.030 . . . . . . 202 MET CG . 18906 1 707 . 1 1 63 63 MET CE C 13 15.947 0.000 . . . . . . 202 MET CE . 18906 1 708 . 1 1 63 63 MET N N 15 115.498 0.043 . . . . . . 202 MET N . 18906 1 709 . 1 1 64 64 MET H H 1 7.784 0.004 . . . . . . 203 MET HN . 18906 1 710 . 1 1 64 64 MET HA H 1 4.421 0.006 . . . . . . 203 MET HA . 18906 1 711 . 1 1 64 64 MET HB2 H 1 2.681 0.005 . . . . . . 203 MET HB2 . 18906 1 712 . 1 1 64 64 MET HB3 H 1 2.431 0.004 . . . . . . 203 MET HB3 . 18906 1 713 . 1 1 64 64 MET HG2 H 1 3.011 0.002 . . . . . . 203 MET HG2 . 18906 1 714 . 1 1 64 64 MET HG3 H 1 2.811 0.004 . . . . . . 203 MET HG3 . 18906 1 715 . 1 1 64 64 MET C C 13 179.161 0.000 . . . . . . 203 MET C . 18906 1 716 . 1 1 64 64 MET CA C 13 59.300 0.068 . . . . . . 203 MET CA . 18906 1 717 . 1 1 64 64 MET CB C 13 33.554 0.050 . . . . . . 203 MET CB . 18906 1 718 . 1 1 64 64 MET CG C 13 32.760 0.022 . . . . . . 203 MET CG . 18906 1 719 . 1 1 64 64 MET N N 15 119.983 0.057 . . . . . . 203 MET N . 18906 1 720 . 1 1 65 65 VAL H H 1 8.684 0.005 . . . . . . 204 VAL HN . 18906 1 721 . 1 1 65 65 VAL HA H 1 3.843 0.005 . . . . . . 204 VAL HA . 18906 1 722 . 1 1 65 65 VAL HB H 1 2.444 0.002 . . . . . . 204 VAL HB . 18906 1 723 . 1 1 65 65 VAL HG11 H 1 1.346 0.001 . . . . . . 204 VAL QG1 . 18906 1 724 . 1 1 65 65 VAL HG12 H 1 1.346 0.001 . . . . . . 204 VAL QG1 . 18906 1 725 . 1 1 65 65 VAL HG13 H 1 1.346 0.001 . . . . . . 204 VAL QG1 . 18906 1 726 . 1 1 65 65 VAL HG21 H 1 1.164 0.002 . . . . . . 204 VAL QG2 . 18906 1 727 . 1 1 65 65 VAL HG22 H 1 1.164 0.002 . . . . . . 204 VAL QG2 . 18906 1 728 . 1 1 65 65 VAL HG23 H 1 1.164 0.002 . . . . . . 204 VAL QG2 . 18906 1 729 . 1 1 65 65 VAL C C 13 177.253 0.000 . . . . . . 204 VAL C . 18906 1 730 . 1 1 65 65 VAL CA C 13 67.103 0.033 . . . . . . 204 VAL CA . 18906 1 731 . 1 1 65 65 VAL CB C 13 31.703 0.091 . . . . . . 204 VAL CB . 18906 1 732 . 1 1 65 65 VAL CG1 C 13 24.132 0.013 . . . . . . 204 VAL CG1 . 18906 1 733 . 1 1 65 65 VAL CG2 C 13 22.264 0.050 . . . . . . 204 VAL CG2 . 18906 1 734 . 1 1 65 65 VAL N N 15 120.692 0.037 . . . . . . 204 VAL N . 18906 1 735 . 1 1 66 66 LEU H H 1 8.967 0.006 . . . . . . 205 LEU HN . 18906 1 736 . 1 1 66 66 LEU HA H 1 4.156 0.011 . . . . . . 205 LEU HA . 18906 1 737 . 1 1 66 66 LEU HB2 H 1 2.171 0.005 . . . . . . 205 LEU HB2 . 18906 1 738 . 1 1 66 66 LEU HB3 H 1 1.863 0.004 . . . . . . 205 LEU HB3 . 18906 1 739 . 1 1 66 66 LEU HG H 1 1.925 0.007 . . . . . . 205 LEU HG . 18906 1 740 . 1 1 66 66 LEU HD11 H 1 0.971 0.001 . . . . . . 205 LEU QD1 . 18906 1 741 . 1 1 66 66 LEU HD12 H 1 0.971 0.001 . . . . . . 205 LEU QD1 . 18906 1 742 . 1 1 66 66 LEU HD13 H 1 0.971 0.001 . . . . . . 205 LEU QD1 . 18906 1 743 . 1 1 66 66 LEU HD21 H 1 0.885 0.004 . . . . . . 205 LEU QD2 . 18906 1 744 . 1 1 66 66 LEU HD22 H 1 0.885 0.004 . . . . . . 205 LEU QD2 . 18906 1 745 . 1 1 66 66 LEU HD23 H 1 0.885 0.004 . . . . . . 205 LEU QD2 . 18906 1 746 . 1 1 66 66 LEU C C 13 178.909 0.000 . . . . . . 205 LEU C . 18906 1 747 . 1 1 66 66 LEU CA C 13 59.017 0.102 . . . . . . 205 LEU CA . 18906 1 748 . 1 1 66 66 LEU CB C 13 42.598 0.034 . . . . . . 205 LEU CB . 18906 1 749 . 1 1 66 66 LEU CG C 13 27.213 0.043 . . . . . . 205 LEU CG . 18906 1 750 . 1 1 66 66 LEU CD1 C 13 26.020 0.040 . . . . . . 205 LEU CD1 . 18906 1 751 . 1 1 66 66 LEU CD2 C 13 24.887 0.081 . . . . . . 205 LEU CD2 . 18906 1 752 . 1 1 66 66 LEU N N 15 122.146 0.027 . . . . . . 205 LEU N . 18906 1 753 . 1 1 67 67 GLY H H 1 8.333 0.004 . . . . . . 206 GLY HN . 18906 1 754 . 1 1 67 67 GLY HA2 H 1 4.028 0.017 . . . . . . 206 GLY HA2 . 18906 1 755 . 1 1 67 67 GLY HA3 H 1 4.164 0.019 . . . . . . 206 GLY HA3 . 18906 1 756 . 1 1 67 67 GLY C C 13 176.294 0.000 . . . . . . 206 GLY C . 18906 1 757 . 1 1 67 67 GLY CA C 13 47.837 0.065 . . . . . . 206 GLY CA . 18906 1 758 . 1 1 67 67 GLY N N 15 105.800 0.055 . . . . . . 206 GLY N . 18906 1 759 . 1 1 68 68 ALA H H 1 7.951 0.004 . . . . . . 207 ALA HN . 18906 1 760 . 1 1 68 68 ALA HA H 1 4.342 0.011 . . . . . . 207 ALA HA . 18906 1 761 . 1 1 68 68 ALA HB1 H 1 1.537 0.005 . . . . . . 207 ALA HB# . 18906 1 762 . 1 1 68 68 ALA HB2 H 1 1.537 0.005 . . . . . . 207 ALA HB# . 18906 1 763 . 1 1 68 68 ALA HB3 H 1 1.537 0.005 . . . . . . 207 ALA HB# . 18906 1 764 . 1 1 68 68 ALA C C 13 179.043 0.000 . . . . . . 207 ALA C . 18906 1 765 . 1 1 68 68 ALA CA C 13 55.349 0.044 . . . . . . 207 ALA CA . 18906 1 766 . 1 1 68 68 ALA CB C 13 18.357 0.031 . . . . . . 207 ALA CB . 18906 1 767 . 1 1 68 68 ALA N N 15 125.439 0.024 . . . . . . 207 ALA N . 18906 1 768 . 1 1 69 69 LYS H H 1 9.115 0.004 . . . . . . 208 LYS HN . 18906 1 769 . 1 1 69 69 LYS HA H 1 4.574 0.005 . . . . . . 208 LYS HA . 18906 1 770 . 1 1 69 69 LYS HB2 H 1 2.534 0.008 . . . . . . 208 LYS HB2 . 18906 1 771 . 1 1 69 69 LYS HB3 H 1 2.313 0.004 . . . . . . 208 LYS HB3 . 18906 1 772 . 1 1 69 69 LYS HG2 H 1 1.982 0.003 . . . . . . 208 LYS QG . 18906 1 773 . 1 1 69 69 LYS HG3 H 1 1.982 0.003 . . . . . . 208 LYS QG . 18906 1 774 . 1 1 69 69 LYS HD2 H 1 2.104 0.004 . . . . . . 208 LYS HD2 . 18906 1 775 . 1 1 69 69 LYS HD3 H 1 1.761 0.004 . . . . . . 208 LYS HD3 . 18906 1 776 . 1 1 69 69 LYS HE2 H 1 3.024 0.006 . . . . . . 208 LYS HE2 . 18906 1 777 . 1 1 69 69 LYS HE3 H 1 2.658 0.004 . . . . . . 208 LYS HE3 . 18906 1 778 . 1 1 69 69 LYS C C 13 178.699 0.000 . . . . . . 208 LYS C . 18906 1 779 . 1 1 69 69 LYS CA C 13 60.054 0.114 . . . . . . 208 LYS CA . 18906 1 780 . 1 1 69 69 LYS CB C 13 32.706 0.017 . . . . . . 208 LYS CB . 18906 1 781 . 1 1 69 69 LYS CG C 13 26.771 0.112 . . . . . . 208 LYS CG . 18906 1 782 . 1 1 69 69 LYS CD C 13 30.419 0.037 . . . . . . 208 LYS CD . 18906 1 783 . 1 1 69 69 LYS CE C 13 41.374 0.094 . . . . . . 208 LYS CE . 18906 1 784 . 1 1 69 69 LYS N N 15 116.732 0.031 . . . . . . 208 LYS N . 18906 1 785 . 1 1 70 70 TRP H H 1 8.998 0.006 . . . . . . 209 TRP HN . 18906 1 786 . 1 1 70 70 TRP HA H 1 3.888 0.007 . . . . . . 209 TRP HA . 18906 1 787 . 1 1 70 70 TRP HB2 H 1 3.454 0.005 . . . . . . 209 TRP HB2 . 18906 1 788 . 1 1 70 70 TRP HB3 H 1 3.333 0.007 . . . . . . 209 TRP HB3 . 18906 1 789 . 1 1 70 70 TRP HD1 H 1 7.209 0.005 . . . . . . 209 TRP HD1 . 18906 1 790 . 1 1 70 70 TRP HE1 H 1 10.121 0.007 . . . . . . 209 TRP HE1 . 18906 1 791 . 1 1 70 70 TRP HE3 H 1 6.127 0.001 . . . . . . 209 TRP HE3 . 18906 1 792 . 1 1 70 70 TRP HZ2 H 1 7.515 0.001 . . . . . . 209 TRP HZ2 . 18906 1 793 . 1 1 70 70 TRP HZ3 H 1 6.844 0.002 . . . . . . 209 TRP HZ3 . 18906 1 794 . 1 1 70 70 TRP HH2 H 1 6.816 0.001 . . . . . . 209 TRP HH2 . 18906 1 795 . 1 1 70 70 TRP C C 13 177.723 0.000 . . . . . . 209 TRP C . 18906 1 796 . 1 1 70 70 TRP CA C 13 58.934 0.072 . . . . . . 209 TRP CA . 18906 1 797 . 1 1 70 70 TRP CB C 13 30.412 0.050 . . . . . . 209 TRP CB . 18906 1 798 . 1 1 70 70 TRP N N 15 121.738 0.085 . . . . . . 209 TRP N . 18906 1 799 . 1 1 70 70 TRP NE1 N 15 128.284 0.010 . . . . . . 209 TRP NE1 . 18906 1 800 . 1 1 71 71 ARG H H 1 7.943 0.004 . . . . . . 210 ARG HN . 18906 1 801 . 1 1 71 71 ARG HA H 1 3.666 0.009 . . . . . . 210 ARG HA . 18906 1 802 . 1 1 71 71 ARG HB2 H 1 2.113 0.007 . . . . . . 210 ARG HB2 . 18906 1 803 . 1 1 71 71 ARG HB3 H 1 1.981 0.010 . . . . . . 210 ARG HB3 . 18906 1 804 . 1 1 71 71 ARG HG2 H 1 1.763 0.002 . . . . . . 210 ARG HG2 . 18906 1 805 . 1 1 71 71 ARG HG3 H 1 1.493 0.003 . . . . . . 210 ARG HG3 . 18906 1 806 . 1 1 71 71 ARG HD2 H 1 3.271 0.003 . . . . . . 210 ARG QD . 18906 1 807 . 1 1 71 71 ARG HD3 H 1 3.271 0.003 . . . . . . 210 ARG QD . 18906 1 808 . 1 1 71 71 ARG C C 13 178.695 0.000 . . . . . . 210 ARG C . 18906 1 809 . 1 1 71 71 ARG CA C 13 59.994 0.053 . . . . . . 210 ARG CA . 18906 1 810 . 1 1 71 71 ARG CB C 13 29.675 0.036 . . . . . . 210 ARG CB . 18906 1 811 . 1 1 71 71 ARG CG C 13 27.501 0.045 . . . . . . 210 ARG CG . 18906 1 812 . 1 1 71 71 ARG CD C 13 43.275 0.040 . . . . . . 210 ARG CD . 18906 1 813 . 1 1 71 71 ARG N N 15 122.326 0.052 . . . . . . 210 ARG N . 18906 1 814 . 1 1 72 72 GLU H H 1 8.169 0.004 . . . . . . 211 GLU HN . 18906 1 815 . 1 1 72 72 GLU HA H 1 3.851 0.007 . . . . . . 211 GLU HA . 18906 1 816 . 1 1 72 72 GLU HB2 H 1 2.413 0.006 . . . . . . 211 GLU HB2 . 18906 1 817 . 1 1 72 72 GLU HB3 H 1 2.130 0.006 . . . . . . 211 GLU HB3 . 18906 1 818 . 1 1 72 72 GLU HG2 H 1 2.596 0.016 . . . . . . 211 GLU HG2 . 18906 1 819 . 1 1 72 72 GLU HG3 H 1 2.520 0.005 . . . . . . 211 GLU HG3 . 18906 1 820 . 1 1 72 72 GLU C C 13 177.446 0.000 . . . . . . 211 GLU C . 18906 1 821 . 1 1 72 72 GLU CA C 13 59.263 0.032 . . . . . . 211 GLU CA . 18906 1 822 . 1 1 72 72 GLU CB C 13 29.347 0.174 . . . . . . 211 GLU CB . 18906 1 823 . 1 1 72 72 GLU CG C 13 36.270 0.000 . . . . . . 211 GLU CG . 18906 1 824 . 1 1 72 72 GLU N N 15 120.146 0.051 . . . . . . 211 GLU N . 18906 1 825 . 1 1 73 73 PHE H H 1 8.739 0.004 . . . . . . 212 PHE HN . 18906 1 826 . 1 1 73 73 PHE HA H 1 4.233 0.007 . . . . . . 212 PHE HA . 18906 1 827 . 1 1 73 73 PHE HB2 H 1 3.018 0.006 . . . . . . 212 PHE HB2 . 18906 1 828 . 1 1 73 73 PHE HB3 H 1 2.587 0.006 . . . . . . 212 PHE HB3 . 18906 1 829 . 1 1 73 73 PHE HD1 H 1 6.441 0.002 . . . . . . 212 PHE QD . 18906 1 830 . 1 1 73 73 PHE HD2 H 1 6.441 0.002 . . . . . . 212 PHE QD . 18906 1 831 . 1 1 73 73 PHE HE1 H 1 6.839 0.003 . . . . . . 212 PHE QE . 18906 1 832 . 1 1 73 73 PHE HE2 H 1 6.839 0.003 . . . . . . 212 PHE QE . 18906 1 833 . 1 1 73 73 PHE C C 13 177.215 0.000 . . . . . . 212 PHE C . 18906 1 834 . 1 1 73 73 PHE CA C 13 60.820 0.040 . . . . . . 212 PHE CA . 18906 1 835 . 1 1 73 73 PHE CB C 13 40.891 0.035 . . . . . . 212 PHE CB . 18906 1 836 . 1 1 73 73 PHE N N 15 121.154 0.025 . . . . . . 212 PHE N . 18906 1 837 . 1 1 74 74 SER H H 1 8.087 0.003 . . . . . . 213 SER HN . 18906 1 838 . 1 1 74 74 SER HA H 1 3.778 0.015 . . . . . . 213 SER HA . 18906 1 839 . 1 1 74 74 SER HB2 H 1 3.297 0.011 . . . . . . 213 SER HB2 . 18906 1 840 . 1 1 74 74 SER HB3 H 1 2.683 0.016 . . . . . . 213 SER HB3 . 18906 1 841 . 1 1 74 74 SER C C 13 176.069 0.000 . . . . . . 213 SER C . 18906 1 842 . 1 1 74 74 SER CA C 13 61.022 0.068 . . . . . . 213 SER CA . 18906 1 843 . 1 1 74 74 SER CB C 13 62.718 0.072 . . . . . . 213 SER CB . 18906 1 844 . 1 1 74 74 SER N N 15 111.911 0.074 . . . . . . 213 SER N . 18906 1 845 . 1 1 75 75 THR H H 1 7.553 0.005 . . . . . . 214 THR HN . 18906 1 846 . 1 1 75 75 THR HA H 1 3.981 0.011 . . . . . . 214 THR HA . 18906 1 847 . 1 1 75 75 THR HB H 1 4.169 0.008 . . . . . . 214 THR HB . 18906 1 848 . 1 1 75 75 THR HG21 H 1 1.167 0.004 . . . . . . 214 THR QG2 . 18906 1 849 . 1 1 75 75 THR HG22 H 1 1.167 0.004 . . . . . . 214 THR QG2 . 18906 1 850 . 1 1 75 75 THR HG23 H 1 1.167 0.004 . . . . . . 214 THR QG2 . 18906 1 851 . 1 1 75 75 THR C C 13 174.294 0.000 . . . . . . 214 THR C . 18906 1 852 . 1 1 75 75 THR CA C 13 64.952 0.073 . . . . . . 214 THR CA . 18906 1 853 . 1 1 75 75 THR CB C 13 69.226 0.231 . . . . . . 214 THR CB . 18906 1 854 . 1 1 75 75 THR CG2 C 13 21.217 0.021 . . . . . . 214 THR CG2 . 18906 1 855 . 1 1 75 75 THR N N 15 115.144 0.039 . . . . . . 214 THR N . 18906 1 856 . 1 1 76 76 ASN H H 1 7.434 0.006 . . . . . . 215 ASN HN . 18906 1 857 . 1 1 76 76 ASN HA H 1 4.594 0.008 . . . . . . 215 ASN HA . 18906 1 858 . 1 1 76 76 ASN HB2 H 1 2.773 0.013 . . . . . . 215 ASN HB2 . 18906 1 859 . 1 1 76 76 ASN HB3 H 1 2.681 0.006 . . . . . . 215 ASN HB3 . 18906 1 860 . 1 1 76 76 ASN HD21 H 1 7.629 0.003 . . . . . . 215 ASN HD21 . 18906 1 861 . 1 1 76 76 ASN HD22 H 1 6.904 0.004 . . . . . . 215 ASN HD22 . 18906 1 862 . 1 1 76 76 ASN C C 13 173.124 0.000 . . . . . . 215 ASN C . 18906 1 863 . 1 1 76 76 ASN CA C 13 53.070 0.042 . . . . . . 215 ASN CA . 18906 1 864 . 1 1 76 76 ASN CB C 13 39.235 0.113 . . . . . . 215 ASN CB . 18906 1 865 . 1 1 76 76 ASN N N 15 118.550 0.036 . . . . . . 215 ASN N . 18906 1 866 . 1 1 76 76 ASN ND2 N 15 112.686 0.292 . . . . . . 215 ASN ND2 . 18906 1 867 . 1 1 77 77 ASN H H 1 7.066 0.004 . . . . . . 216 ASN HN . 18906 1 868 . 1 1 77 77 ASN HA H 1 3.820 0.002 . . . . . . 216 ASN HA . 18906 1 869 . 1 1 77 77 ASN HB2 H 1 2.686 0.005 . . . . . . 216 ASN HB2 . 18906 1 870 . 1 1 77 77 ASN HB3 H 1 2.534 0.002 . . . . . . 216 ASN HB3 . 18906 1 871 . 1 1 77 77 ASN HD21 H 1 7.266 0.004 . . . . . . 216 ASN HD21 . 18906 1 872 . 1 1 77 77 ASN HD22 H 1 7.117 0.002 . . . . . . 216 ASN HD22 . 18906 1 873 . 1 1 77 77 ASN CA C 13 50.729 0.045 . . . . . . 216 ASN CA . 18906 1 874 . 1 1 77 77 ASN CB C 13 38.921 0.051 . . . . . . 216 ASN CB . 18906 1 875 . 1 1 77 77 ASN N N 15 119.091 0.053 . . . . . . 216 ASN N . 18906 1 876 . 1 1 77 77 ASN ND2 N 15 109.813 0.280 . . . . . . 216 ASN ND2 . 18906 1 877 . 1 1 78 78 PRO HA H 1 4.167 0.007 . . . . . . 217 PRO HA . 18906 1 878 . 1 1 78 78 PRO HB2 H 1 1.834 0.006 . . . . . . 217 PRO HB2 . 18906 1 879 . 1 1 78 78 PRO HB3 H 1 1.166 0.008 . . . . . . 217 PRO HB3 . 18906 1 880 . 1 1 78 78 PRO HG2 H 1 1.472 0.006 . . . . . . 217 PRO HG2 . 18906 1 881 . 1 1 78 78 PRO HG3 H 1 0.817 0.004 . . . . . . 217 PRO HG3 . 18906 1 882 . 1 1 78 78 PRO HD2 H 1 3.126 0.006 . . . . . . 217 PRO HD2 . 18906 1 883 . 1 1 78 78 PRO HD3 H 1 2.604 0.002 . . . . . . 217 PRO HD3 . 18906 1 884 . 1 1 78 78 PRO C C 13 176.524 0.000 . . . . . . 217 PRO C . 18906 1 885 . 1 1 78 78 PRO CA C 13 63.440 0.128 . . . . . . 217 PRO CA . 18906 1 886 . 1 1 78 78 PRO CB C 13 31.615 0.052 . . . . . . 217 PRO CB . 18906 1 887 . 1 1 78 78 PRO CG C 13 25.527 0.044 . . . . . . 217 PRO CG . 18906 1 888 . 1 1 78 78 PRO CD C 13 50.071 0.024 . . . . . . 217 PRO CD . 18906 1 889 . 1 1 79 79 PHE H H 1 8.115 0.006 . . . . . . 218 PHE HN . 18906 1 890 . 1 1 79 79 PHE HA H 1 4.589 0.006 . . . . . . 218 PHE HA . 18906 1 891 . 1 1 79 79 PHE HB2 H 1 3.277 0.009 . . . . . . 218 PHE HB2 . 18906 1 892 . 1 1 79 79 PHE HB3 H 1 2.835 0.007 . . . . . . 218 PHE HB3 . 18906 1 893 . 1 1 79 79 PHE HD1 H 1 7.169 0.003 . . . . . . 218 PHE QD . 18906 1 894 . 1 1 79 79 PHE HD2 H 1 7.169 0.003 . . . . . . 218 PHE QD . 18906 1 895 . 1 1 79 79 PHE HE1 H 1 7.347 0.003 . . . . . . 218 PHE QE . 18906 1 896 . 1 1 79 79 PHE HE2 H 1 7.347 0.003 . . . . . . 218 PHE QE . 18906 1 897 . 1 1 79 79 PHE HZ H 1 7.306 0.000 . . . . . . 218 PHE HZ . 18906 1 898 . 1 1 79 79 PHE C C 13 175.426 0.000 . . . . . . 218 PHE C . 18906 1 899 . 1 1 79 79 PHE CA C 13 57.209 0.050 . . . . . . 218 PHE CA . 18906 1 900 . 1 1 79 79 PHE CB C 13 38.187 0.047 . . . . . . 218 PHE CB . 18906 1 901 . 1 1 79 79 PHE N N 15 118.873 0.063 . . . . . . 218 PHE N . 18906 1 902 . 1 1 80 80 LYS H H 1 7.382 0.006 . . . . . . 219 LYS HN . 18906 1 903 . 1 1 80 80 LYS HA H 1 4.221 0.003 . . . . . . 219 LYS HA . 18906 1 904 . 1 1 80 80 LYS HB2 H 1 1.815 0.010 . . . . . . 219 LYS HB2 . 18906 1 905 . 1 1 80 80 LYS HB3 H 1 1.730 0.015 . . . . . . 219 LYS HB3 . 18906 1 906 . 1 1 80 80 LYS HG2 H 1 1.383 0.004 . . . . . . 219 LYS QG . 18906 1 907 . 1 1 80 80 LYS HG3 H 1 1.383 0.004 . . . . . . 219 LYS QG . 18906 1 908 . 1 1 80 80 LYS HD2 H 1 1.665 0.004 . . . . . . 219 LYS QD . 18906 1 909 . 1 1 80 80 LYS HD3 H 1 1.665 0.004 . . . . . . 219 LYS QD . 18906 1 910 . 1 1 80 80 LYS HE2 H 1 2.981 0.002 . . . . . . 219 LYS QE . 18906 1 911 . 1 1 80 80 LYS HE3 H 1 2.981 0.002 . . . . . . 219 LYS QE . 18906 1 912 . 1 1 80 80 LYS CA C 13 56.797 0.056 . . . . . . 219 LYS CA . 18906 1 913 . 1 1 80 80 LYS CB C 13 33.189 0.067 . . . . . . 219 LYS CB . 18906 1 914 . 1 1 80 80 LYS CG C 13 24.393 0.036 . . . . . . 219 LYS CG . 18906 1 915 . 1 1 80 80 LYS CD C 13 29.215 0.043 . . . . . . 219 LYS CD . 18906 1 916 . 1 1 80 80 LYS N N 15 120.709 0.055 . . . . . . 219 LYS N . 18906 1 917 . 1 1 85 85 ALA HA H 1 4.424 0.008 . . . . . . 224 ALA HA . 18906 1 918 . 1 1 85 85 ALA HB1 H 1 1.411 0.008 . . . . . . 224 ALA HB# . 18906 1 919 . 1 1 85 85 ALA HB2 H 1 1.411 0.008 . . . . . . 224 ALA HB# . 18906 1 920 . 1 1 85 85 ALA HB3 H 1 1.411 0.008 . . . . . . 224 ALA HB# . 18906 1 921 . 1 1 85 85 ALA C C 13 176.480 0.000 . . . . . . 224 ALA C . 18906 1 922 . 1 1 85 85 ALA CA C 13 52.463 0.055 . . . . . . 224 ALA CA . 18906 1 923 . 1 1 85 85 ALA CB C 13 19.537 0.049 . . . . . . 224 ALA CB . 18906 1 924 . 1 1 86 86 SER H H 1 7.968 0.003 . . . . . . 225 SER HN . 18906 1 925 . 1 1 86 86 SER HA H 1 4.267 0.005 . . . . . . 225 SER HA . 18906 1 926 . 1 1 86 86 SER HB2 H 1 3.851 0.001 . . . . . . 225 SER QB . 18906 1 927 . 1 1 86 86 SER HB3 H 1 3.851 0.001 . . . . . . 225 SER QB . 18906 1 928 . 1 1 86 86 SER CA C 13 59.954 0.095 . . . . . . 225 SER CA . 18906 1 929 . 1 1 86 86 SER CB C 13 65.019 0.127 . . . . . . 225 SER CB . 18906 1 930 . 1 1 86 86 SER N N 15 120.820 0.024 . . . . . . 225 SER N . 18906 1 stop_ save_