data_6193 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6193 _Entry.Title ; 1H, 13C, 15N PSD-95 PDZ3 NMR Assignments, pH 7, 20C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-04-26 _Entry.Accession_date 2004-04-27 _Entry.Last_release_date 2004-10-01 _Entry.Original_release_date 2004-10-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Nkoli Ukpabi . . . 6193 2 Sudhir Sharma . . . 6193 3 Mark Spaller . R. . 6193 4 Pearl Tsang . . . 6193 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6193 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 6193 '15N chemical shifts' 118 6193 '1H chemical shifts' 580 6193 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 . . 2004-10-01 2004-04-26 original author . 6193 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6193 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15452444 _Citation.Full_citation . _Citation.Title 'Letter to the Editor: 1H, 15N and 13C Backbone and Side Chain Assignments of PSD-95 PDZ3 protein' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 1 _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 111 _Citation.Page_last 112 _Citation.Year 2004 _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 Nkoli Ukpabi . . . 6193 1 2 Sudhir Sharma . . . 6193 1 3 Mark Spaller . R. . 6193 1 4 Pearl Tsang . . . 6193 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID MAGUK 6193 1 NMR 6193 1 PDZ 6193 1 PSD95 6193 1 'Resonance Assignments' 6193 1 SAP90 6193 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PSD-95_PDZ3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PSD-95_PDZ3 _Assembly.Entry_ID 6193 _Assembly.ID 1 _Assembly.Name 'PSD-95 PDZ3' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6193 1 stop_ 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 'PSD-95 PDZ3' 1 $PSD-95_PDZ3 . . . native . . . . . 6193 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PSD-95 PDZ3' abbreviation 6193 1 'PSD-95 PDZ3' system 6193 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PSD-95_PDZ3 _Entity.Sf_category entity _Entity.Sf_framecode PSD-95_PDZ3 _Entity.Entry_ID 6193 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PSD-95 PDZ3' _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 ; GSPEFLGEEDIPREPRRIVI HRGSTGLGFNIVGGEDGEGI FISFILAGGPADLSGELRKG DQILSVNGVDLRNASHEQAA IALKNAGQTVTIIAQYKPEE YSRFEANSR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 109 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 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 BMRB 18516 . PDZ3 . . . . . 93.58 103 99.02 99.02 6.03e-64 . . . . 6193 1 2 no PDB 1BE9 . "The Third Pdz Domain From The Synaptic Protein Psd-95 In Complex With A C-Terminal Peptide Derived From Cript." . . . . . 100.00 119 99.08 100.00 3.71e-70 . . . . 6193 1 3 no PDB 1BFE . "The Third Pdz Domain From The Synaptic Protein Psd-95" . . . . . 100.00 119 99.08 100.00 3.71e-70 . . . . 6193 1 4 no PDB 1TP3 . "Pdz3 Domain Of Psd-95 Protein Complexed With Kketpv Peptide Ligand" . . . . . 100.00 119 100.00 100.00 2.56e-70 . . . . 6193 1 5 no PDB 1TP5 . "Crystal Structure Of Pdz3 Domain Of Psd-95 Protein Complexed With A Peptide Ligand Kketwv" . . . . . 100.00 119 100.00 100.00 2.56e-70 . . . . 6193 1 6 no PDB 1TQ3 . "Higher Resolution Crystal Structure Of The Third Pdz Domain Of Post Synaptic Psd-95 Protein" . . . . . 100.00 119 100.00 100.00 2.56e-70 . . . . 6193 1 7 no PDB 3I4W . "Crystal Structure Of The Third Pdz Domain Of Psd-95" . . . . . 93.58 104 98.04 98.04 5.81e-63 . . . . 6193 1 8 no PDB 3K82 . "Crystal Structure Of The Third Pdz Domain Of Psd-95" . . . . . 89.91 98 98.98 98.98 7.28e-61 . . . . 6193 1 9 no REF XP_005669278 . "PREDICTED: disks large homolog 4-like [Sus scrofa]" . . . . . 95.41 174 97.12 98.08 9.90e-65 . . . . 6193 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PSD-95 PDZ3' abbreviation 6193 1 'PSD-95 PDZ3' common 6193 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 -1 GLY . 6193 1 2 1 SER . 6193 1 3 2 PRO . 6193 1 4 3 GLU . 6193 1 5 4 PHE . 6193 1 6 5 LEU . 6193 1 7 6 GLY . 6193 1 8 7 GLU . 6193 1 9 8 GLU . 6193 1 10 9 ASP . 6193 1 11 10 ILE . 6193 1 12 11 PRO . 6193 1 13 12 ARG . 6193 1 14 13 GLU . 6193 1 15 14 PRO . 6193 1 16 15 ARG . 6193 1 17 16 ARG . 6193 1 18 17 ILE . 6193 1 19 18 VAL . 6193 1 20 19 ILE . 6193 1 21 20 HIS . 6193 1 22 21 ARG . 6193 1 23 22 GLY . 6193 1 24 23 SER . 6193 1 25 24 THR . 6193 1 26 25 GLY . 6193 1 27 26 LEU . 6193 1 28 27 GLY . 6193 1 29 28 PHE . 6193 1 30 29 ASN . 6193 1 31 30 ILE . 6193 1 32 31 VAL . 6193 1 33 32 GLY . 6193 1 34 33 GLY . 6193 1 35 34 GLU . 6193 1 36 35 ASP . 6193 1 37 36 GLY . 6193 1 38 37 GLU . 6193 1 39 38 GLY . 6193 1 40 39 ILE . 6193 1 41 40 PHE . 6193 1 42 41 ILE . 6193 1 43 42 SER . 6193 1 44 43 PHE . 6193 1 45 44 ILE . 6193 1 46 45 LEU . 6193 1 47 46 ALA . 6193 1 48 47 GLY . 6193 1 49 48 GLY . 6193 1 50 49 PRO . 6193 1 51 50 ALA . 6193 1 52 51 ASP . 6193 1 53 52 LEU . 6193 1 54 53 SER . 6193 1 55 54 GLY . 6193 1 56 55 GLU . 6193 1 57 56 LEU . 6193 1 58 57 ARG . 6193 1 59 58 LYS . 6193 1 60 59 GLY . 6193 1 61 60 ASP . 6193 1 62 61 GLN . 6193 1 63 62 ILE . 6193 1 64 63 LEU . 6193 1 65 64 SER . 6193 1 66 65 VAL . 6193 1 67 66 ASN . 6193 1 68 67 GLY . 6193 1 69 68 VAL . 6193 1 70 69 ASP . 6193 1 71 70 LEU . 6193 1 72 71 ARG . 6193 1 73 72 ASN . 6193 1 74 73 ALA . 6193 1 75 74 SER . 6193 1 76 75 HIS . 6193 1 77 76 GLU . 6193 1 78 77 GLN . 6193 1 79 78 ALA . 6193 1 80 79 ALA . 6193 1 81 80 ILE . 6193 1 82 81 ALA . 6193 1 83 82 LEU . 6193 1 84 83 LYS . 6193 1 85 84 ASN . 6193 1 86 85 ALA . 6193 1 87 86 GLY . 6193 1 88 87 GLN . 6193 1 89 88 THR . 6193 1 90 89 VAL . 6193 1 91 90 THR . 6193 1 92 91 ILE . 6193 1 93 92 ILE . 6193 1 94 93 ALA . 6193 1 95 94 GLN . 6193 1 96 95 TYR . 6193 1 97 96 LYS . 6193 1 98 97 PRO . 6193 1 99 98 GLU . 6193 1 100 99 GLU . 6193 1 101 100 TYR . 6193 1 102 101 SER . 6193 1 103 102 ARG . 6193 1 104 103 PHE . 6193 1 105 104 GLU . 6193 1 106 105 ALA . 6193 1 107 106 ASN . 6193 1 108 107 SER . 6193 1 109 108 ARG . 6193 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 6193 1 . SER 2 2 6193 1 . PRO 3 3 6193 1 . GLU 4 4 6193 1 . PHE 5 5 6193 1 . LEU 6 6 6193 1 . GLY 7 7 6193 1 . GLU 8 8 6193 1 . GLU 9 9 6193 1 . ASP 10 10 6193 1 . ILE 11 11 6193 1 . PRO 12 12 6193 1 . ARG 13 13 6193 1 . GLU 14 14 6193 1 . PRO 15 15 6193 1 . ARG 16 16 6193 1 . ARG 17 17 6193 1 . ILE 18 18 6193 1 . VAL 19 19 6193 1 . ILE 20 20 6193 1 . HIS 21 21 6193 1 . ARG 22 22 6193 1 . GLY 23 23 6193 1 . SER 24 24 6193 1 . THR 25 25 6193 1 . GLY 26 26 6193 1 . LEU 27 27 6193 1 . GLY 28 28 6193 1 . PHE 29 29 6193 1 . ASN 30 30 6193 1 . ILE 31 31 6193 1 . VAL 32 32 6193 1 . GLY 33 33 6193 1 . GLY 34 34 6193 1 . GLU 35 35 6193 1 . ASP 36 36 6193 1 . GLY 37 37 6193 1 . GLU 38 38 6193 1 . GLY 39 39 6193 1 . ILE 40 40 6193 1 . PHE 41 41 6193 1 . ILE 42 42 6193 1 . SER 43 43 6193 1 . PHE 44 44 6193 1 . ILE 45 45 6193 1 . LEU 46 46 6193 1 . ALA 47 47 6193 1 . GLY 48 48 6193 1 . GLY 49 49 6193 1 . PRO 50 50 6193 1 . ALA 51 51 6193 1 . ASP 52 52 6193 1 . LEU 53 53 6193 1 . SER 54 54 6193 1 . GLY 55 55 6193 1 . GLU 56 56 6193 1 . LEU 57 57 6193 1 . ARG 58 58 6193 1 . LYS 59 59 6193 1 . GLY 60 60 6193 1 . ASP 61 61 6193 1 . GLN 62 62 6193 1 . ILE 63 63 6193 1 . LEU 64 64 6193 1 . SER 65 65 6193 1 . VAL 66 66 6193 1 . ASN 67 67 6193 1 . GLY 68 68 6193 1 . VAL 69 69 6193 1 . ASP 70 70 6193 1 . LEU 71 71 6193 1 . ARG 72 72 6193 1 . ASN 73 73 6193 1 . ALA 74 74 6193 1 . SER 75 75 6193 1 . HIS 76 76 6193 1 . GLU 77 77 6193 1 . GLN 78 78 6193 1 . ALA 79 79 6193 1 . ALA 80 80 6193 1 . ILE 81 81 6193 1 . ALA 82 82 6193 1 . LEU 83 83 6193 1 . LYS 84 84 6193 1 . ASN 85 85 6193 1 . ALA 86 86 6193 1 . GLY 87 87 6193 1 . GLN 88 88 6193 1 . THR 89 89 6193 1 . VAL 90 90 6193 1 . THR 91 91 6193 1 . ILE 92 92 6193 1 . ILE 93 93 6193 1 . ALA 94 94 6193 1 . GLN 95 95 6193 1 . TYR 96 96 6193 1 . LYS 97 97 6193 1 . PRO 98 98 6193 1 . GLU 99 99 6193 1 . GLU 100 100 6193 1 . TYR 101 101 6193 1 . SER 102 102 6193 1 . ARG 103 103 6193 1 . PHE 104 104 6193 1 . GLU 105 105 6193 1 . ALA 106 106 6193 1 . ASN 107 107 6193 1 . SER 108 108 6193 1 . ARG 109 109 6193 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 6193 _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 $PSD-95_PDZ3 . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 6193 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 6193 _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 $PSD-95_PDZ3 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6193 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6193 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'PSD-95 PDZ3' '[U-95% 13C; U-95% 15N]' . . 1 $PSD-95_PDZ3 . . . 0.562 0.562 mM . . . . 6193 1 stop_ save_ ####################### # Sample conditions # ####################### save_Neutral_pH_20C _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Neutral_pH_20C _Sample_condition_list.Entry_ID 6193 _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 pH 7.0 0.05 pH 6193 1 pressure 1 . atm 6193 1 temperature 293 0.1 K 6193 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6193 _Software.ID 1 _Software.Name NMRPipe _Software.Version '2.2, Rev 2002.365.14.32' _Software.Details 'Delaglio, F., et al., J. Biomol. NMR, 6, 277-293.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'Processing of 2D & 3D data' 6193 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6193 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX-Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6193 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6193 _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 NMR_spectrometer_1 Bruker DMX-Avance . 500 . . . 6193 1 2 NMR_spectrometer_2 Varian INOVA . 600 . . . 6193 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 6193 _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 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 2 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 3 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 4 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 5 TOCSY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 6 NOESY-HSQC . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 7 CBCACONH . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 8 HNHBHA . . . . . . . . . . . 1 $sample_1 . . . 1 $Neutral_pH_20C . . . . . . . . . . . . . . . . . . . . . 6193 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6193 _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 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6193 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6193 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6193 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_PSD-95_PDZ3_neutral_pH _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode PSD-95_PDZ3_neutral_pH _Assigned_chem_shift_list.Entry_ID 6193 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Neutral_pH_20C _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 6193 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 SER CA C 13 56.171 0.05 . 1 . . . . 1 . . . 6193 1 2 . 1 1 2 2 SER HA H 1 4.273 0.015 . 1 . . . . 1 . . . 6193 1 3 . 1 1 2 2 SER CB C 13 56.463 0.05 . 1 . . . . 1 . . . 6193 1 4 . 1 1 2 2 SER HB2 H 1 3.814 0.015 . 1 . . . . 1 . . . 6193 1 5 . 1 1 2 2 SER HB3 H 1 3.688 0.006 . 1 . . . . 1 . . . 6193 1 6 . 1 1 3 3 PRO CA C 13 60.738 0.057 . 1 . . . . 2 . . . 6193 1 7 . 1 1 3 3 PRO HA H 1 4.268 0.003 . 1 . . . . 2 . . . 6193 1 8 . 1 1 3 3 PRO C C 13 173.903 0.002 . 1 . . . . 2 . . . 6193 1 9 . 1 1 3 3 PRO CB C 13 29.187 0.035 . 1 . . . . 2 . . . 6193 1 10 . 1 1 3 3 PRO HB2 H 1 2.129 0.004 . 1 . . . . 2 . . . 6193 1 11 . 1 1 3 3 PRO HB3 H 1 1.709 0.002 . 1 . . . . 2 . . . 6193 1 12 . 1 1 3 3 PRO HG2 H 1 1.877 0.002 . 1 . . . . 2 . . . 6193 1 13 . 1 1 3 3 PRO HD2 H 1 3.704 0.005 . 1 . . . . 2 . . . 6193 1 14 . 1 1 3 3 PRO HD3 H 1 3.592 0.003 . 1 . . . . 2 . . . 6193 1 15 . 1 1 4 4 GLU H H 1 8.292 0.007 . 1 . . . . 3 . . . 6193 1 16 . 1 1 4 4 GLU N N 15 120.098 0.025 . 1 . . . . 3 . . . 6193 1 17 . 1 1 4 4 GLU CA C 13 54.042 0.017 . 1 . . . . 3 . . . 6193 1 18 . 1 1 4 4 GLU HA H 1 4.005 0.015 . 1 . . . . 3 . . . 6193 1 19 . 1 1 4 4 GLU C C 13 173.144 0.001 . 1 . . . . 3 . . . 6193 1 20 . 1 1 4 4 GLU CB C 13 27.420 0.05 . 1 . . . . 3 . . . 6193 1 21 . 1 1 4 4 GLU HB2 H 1 1.692 0.015 . 1 . . . . 3 . . . 6193 1 22 . 1 1 4 4 GLU HG2 H 1 2.010 0.005 . 1 . . . . 3 . . . 6193 1 23 . 1 1 4 4 GLU HG3 H 1 1.940 0.009 . 1 . . . . 3 . . . 6193 1 24 . 1 1 5 5 PHE H H 1 7.995 0.002 . 1 . . . . 4 . . . 6193 1 25 . 1 1 5 5 PHE N N 15 120.098 0.04 . 1 . . . . 4 . . . 6193 1 26 . 1 1 5 5 PHE CA C 13 54.552 0.035 . 1 . . . . 4 . . . 6193 1 27 . 1 1 5 5 PHE HA H 1 4.531 0.015 . 1 . . . . 4 . . . 6193 1 28 . 1 1 5 5 PHE C C 13 172.385 0.001 . 1 . . . . 4 . . . 6193 1 29 . 1 1 5 5 PHE CB C 13 36.648 0.05 . 1 . . . . 4 . . . 6193 1 30 . 1 1 5 5 PHE HB2 H 1 2.975 0.015 . 1 . . . . 4 . . . 6193 1 31 . 1 1 5 5 PHE HB3 H 1 2.896 0.015 . 1 . . . . 4 . . . 6193 1 32 . 1 1 6 6 LEU H H 1 8.099 0.001 . 1 . . . . 5 . . . 6193 1 33 . 1 1 6 6 LEU N N 15 124.401 0.011 . 1 . . . . 5 . . . 6193 1 34 . 1 1 6 6 LEU CA C 13 52.183 0.009 . 1 . . . . 5 . . . 6193 1 35 . 1 1 6 6 LEU HA H 1 4.196 0.015 . 1 . . . . 5 . . . 6193 1 36 . 1 1 6 6 LEU C C 13 174.500 0.05 . 1 . . . . 5 . . . 6193 1 37 . 1 1 6 6 LEU CB C 13 39.635 0.05 . 1 . . . . 5 . . . 6193 1 38 . 1 1 6 6 LEU HB2 H 1 1.416 0.006 . 1 . . . . 5 . . . 6193 1 39 . 1 1 6 6 LEU HD11 H 1 0.736 0.007 . 1 . . . . 5 . . . 6193 1 40 . 1 1 6 6 LEU HD12 H 1 0.736 0.007 . 1 . . . . 5 . . . 6193 1 41 . 1 1 6 6 LEU HD13 H 1 0.736 0.007 . 1 . . . . 5 . . . 6193 1 42 . 1 1 6 6 LEU HD21 H 1 0.688 0.015 . 1 . . . . 5 . . . 6193 1 43 . 1 1 6 6 LEU HD22 H 1 0.688 0.015 . 1 . . . . 5 . . . 6193 1 44 . 1 1 6 6 LEU HD23 H 1 0.688 0.015 . 1 . . . . 5 . . . 6193 1 45 . 1 1 6 6 LEU HG H 1 1.382 0.015 . 1 . . . . 5 . . . 6193 1 46 . 1 1 7 7 GLY H H 1 7.846 0.005 . 1 . . . . 6 . . . 6193 1 47 . 1 1 7 7 GLY N N 15 108.791 0.045 . 1 . . . . 6 . . . 6193 1 48 . 1 1 7 7 GLY CA C 13 42.308 0.05 . 1 . . . . 6 . . . 6193 1 49 . 1 1 7 7 GLY HA2 H 1 3.768 0.004 . 1 . . . . 6 . . . 6193 1 50 . 1 1 7 7 GLY C C 13 171.284 0.05 . 1 . . . . 6 . . . 6193 1 51 . 1 1 8 8 GLU H H 1 8.276 0.002 . 1 . . . . 7 . . . 6193 1 52 . 1 1 8 8 GLU N N 15 120.294 0.04 . 1 . . . . 7 . . . 6193 1 53 . 1 1 8 8 GLU CA C 13 54.072 0.011 . 1 . . . . 7 . . . 6193 1 54 . 1 1 8 8 GLU HA H 1 4.119 0.004 . 1 . . . . 7 . . . 6193 1 55 . 1 1 8 8 GLU C C 13 174.327 0.010 . 1 . . . . 7 . . . 6193 1 56 . 1 1 8 8 GLU CB C 13 27.533 0.05 . 1 . . . . 7 . . . 6193 1 57 . 1 1 8 8 GLU HB2 H 1 1.966 0.009 . 1 . . . . 7 . . . 6193 1 58 . 1 1 8 8 GLU HB3 H 1 1.790 0.002 . 1 . . . . 7 . . . 6193 1 59 . 1 1 8 8 GLU HG2 H 1 2.147 0.015 . 1 . . . . 7 . . . 6193 1 60 . 1 1 9 9 GLU H H 1 8.630 0.005 . 1 . . . . 8 . . . 6193 1 61 . 1 1 9 9 GLU N N 15 120.342 0.057 . 1 . . . . 8 . . . 6193 1 62 . 1 1 9 9 GLU CA C 13 54.169 0.05 . 1 . . . . 8 . . . 6193 1 63 . 1 1 9 9 GLU HA H 1 4.095 0.015 . 1 . . . . 8 . . . 6193 1 64 . 1 1 9 9 GLU C C 13 173.373 0.001 . 1 . . . . 8 . . . 6193 1 65 . 1 1 9 9 GLU CB C 13 27.317 0.05 . 1 . . . . 8 . . . 6193 1 66 . 1 1 9 9 GLU HB2 H 1 1.918 0.015 . 1 . . . . 8 . . . 6193 1 67 . 1 1 9 9 GLU HB3 H 1 1.790 0.015 . 1 . . . . 8 . . . 6193 1 68 . 1 1 9 9 GLU HG2 H 1 2.123 0.001 . 1 . . . . 8 . . . 6193 1 69 . 1 1 10 10 ASP H H 1 8.214 0.004 . 1 . . . . 9 . . . 6193 1 70 . 1 1 10 10 ASP N N 15 119.870 0.025 . 1 . . . . 9 . . . 6193 1 71 . 1 1 10 10 ASP CA C 13 51.348 0.104 . 1 . . . . 9 . . . 6193 1 72 . 1 1 10 10 ASP HA H 1 4.481 0.015 . 1 . . . . 9 . . . 6193 1 73 . 1 1 10 10 ASP C C 13 172.697 0.05 . 1 . . . . 9 . . . 6193 1 74 . 1 1 10 10 ASP CB C 13 38.190 0.05 . 1 . . . . 9 . . . 6193 1 75 . 1 1 10 10 ASP HB2 H 1 2.558 0.015 . 1 . . . . 9 . . . 6193 1 76 . 1 1 10 10 ASP HB3 H 1 2.462 0.015 . 1 . . . . 9 . . . 6193 1 77 . 1 1 11 11 ILE H H 1 7.590 0.003 . 1 . . . . 10 . . . 6193 1 78 . 1 1 11 11 ILE N N 15 122.438 0.04 . 1 . . . . 10 . . . 6193 1 79 . 1 1 11 11 ILE CA C 13 55.586 0.019 . 1 . . . . 10 . . . 6193 1 80 . 1 1 11 11 ILE HA H 1 4.160 0.015 . 1 . . . . 10 . . . 6193 1 81 . 1 1 11 11 ILE CB C 13 36.096 0.062 . 1 . . . . 10 . . . 6193 1 82 . 1 1 11 11 ILE HB H 1 1.443 0.004 . 1 . . . . 10 . . . 6193 1 83 . 1 1 11 11 ILE HG21 H 1 0.355 0.005 . 1 . . . . 10 . . . 6193 1 84 . 1 1 11 11 ILE HG22 H 1 0.355 0.005 . 1 . . . . 10 . . . 6193 1 85 . 1 1 11 11 ILE HG23 H 1 0.355 0.005 . 1 . . . . 10 . . . 6193 1 86 . 1 1 11 11 ILE HG13 H 1 0.711 0.004 . 1 . . . . 10 . . . 6193 1 87 . 1 1 12 12 PRO CA C 13 60.696 0.086 . 1 . . . . 11 . . . 6193 1 88 . 1 1 12 12 PRO HA H 1 4.360 0.005 . 1 . . . . 11 . . . 6193 1 89 . 1 1 12 12 PRO C C 13 174.996 0.001 . 1 . . . . 11 . . . 6193 1 90 . 1 1 12 12 PRO CB C 13 29.809 0.043 . 1 . . . . 11 . . . 6193 1 91 . 1 1 12 12 PRO HB2 H 1 2.394 0.003 . 1 . . . . 11 . . . 6193 1 92 . 1 1 12 12 PRO HB3 H 1 1.805 0.003 . 1 . . . . 11 . . . 6193 1 93 . 1 1 12 12 PRO HG2 H 1 1.907 0.006 . 1 . . . . 11 . . . 6193 1 94 . 1 1 12 12 PRO HD2 H 1 3.803 0.015 . 1 . . . . 11 . . . 6193 1 95 . 1 1 12 12 PRO HD3 H 1 3.417 0.015 . 1 . . . . 11 . . . 6193 1 96 . 1 1 13 13 ARG H H 1 8.819 0.003 . 1 . . . . 12 . . . 6193 1 97 . 1 1 13 13 ARG N N 15 119.377 0.035 . 1 . . . . 12 . . . 6193 1 98 . 1 1 13 13 ARG CA C 13 52.433 0.077 . 1 . . . . 12 . . . 6193 1 99 . 1 1 13 13 ARG HA H 1 4.493 0.003 . 1 . . . . 12 . . . 6193 1 100 . 1 1 13 13 ARG C C 13 172.579 0.05 . 1 . . . . 12 . . . 6193 1 101 . 1 1 13 13 ARG CB C 13 27.747 0.054 . 1 . . . . 12 . . . 6193 1 102 . 1 1 13 13 ARG HB2 H 1 2.208 0.006 . 1 . . . . 12 . . . 6193 1 103 . 1 1 13 13 ARG HB3 H 1 1.786 0.005 . 1 . . . . 12 . . . 6193 1 104 . 1 1 13 13 ARG CG C 13 24.740 0.05 . 1 . . . . 12 . . . 6193 1 105 . 1 1 13 13 ARG HG2 H 1 1.751 0.001 . 1 . . . . 12 . . . 6193 1 106 . 1 1 13 13 ARG CD C 13 39.930 0.030 . 1 . . . . 12 . . . 6193 1 107 . 1 1 13 13 ARG HD2 H 1 3.240 0.007 . 1 . . . . 12 . . . 6193 1 108 . 1 1 13 13 ARG NE N 15 83.929 0.04 . 1 . . . . 12 . . . 6193 1 109 . 1 1 13 13 ARG HE H 1 7.443 0.003 . 1 . . . . 12 . . . 6193 1 110 . 1 1 14 14 GLU H H 1 7.642 0.003 . 1 . . . . 13 . . . 6193 1 111 . 1 1 14 14 GLU N N 15 119.331 0.043 . 1 . . . . 13 . . . 6193 1 112 . 1 1 14 14 GLU CA C 13 52.532 0.058 . 1 . . . . 13 . . . 6193 1 113 . 1 1 14 14 GLU HA H 1 4.542 0.002 . 1 . . . . 13 . . . 6193 1 114 . 1 1 14 14 GLU HB2 H 1 2.018 0.001 . 1 . . . . 13 . . . 6193 1 115 . 1 1 14 14 GLU HB3 H 1 1.827 0.001 . 1 . . . . 13 . . . 6193 1 116 . 1 1 14 14 GLU HG2 H 1 2.210 0.015 . 1 . . . . 13 . . . 6193 1 117 . 1 1 15 15 PRO CA C 13 60.653 0.060 . 1 . . . . 14 . . . 6193 1 118 . 1 1 15 15 PRO HA H 1 4.511 0.006 . 1 . . . . 14 . . . 6193 1 119 . 1 1 15 15 PRO C C 13 173.193 0.002 . 1 . . . . 14 . . . 6193 1 120 . 1 1 15 15 PRO CB C 13 28.686 0.05 . 1 . . . . 14 . . . 6193 1 121 . 1 1 15 15 PRO HB2 H 1 1.737 0.003 . 1 . . . . 14 . . . 6193 1 122 . 1 1 15 15 PRO HB3 H 1 1.545 0.006 . 1 . . . . 14 . . . 6193 1 123 . 1 1 16 16 ARG H H 1 9.280 0.005 . 1 . . . . 15 . . . 6193 1 124 . 1 1 16 16 ARG N N 15 122.078 0.04 . 1 . . . . 15 . . . 6193 1 125 . 1 1 16 16 ARG CA C 13 51.615 0.043 . 1 . . . . 15 . . . 6193 1 126 . 1 1 16 16 ARG HA H 1 4.607 0.015 . 1 . . . . 15 . . . 6193 1 127 . 1 1 16 16 ARG C C 13 173.217 0.05 . 1 . . . . 15 . . . 6193 1 128 . 1 1 16 16 ARG CB C 13 29.068 0.032 . 1 . . . . 15 . . . 6193 1 129 . 1 1 16 16 ARG HB2 H 1 1.604 0.015 . 1 . . . . 15 . . . 6193 1 130 . 1 1 16 16 ARG HB3 H 1 1.502 0.001 . 1 . . . . 15 . . . 6193 1 131 . 1 1 16 16 ARG CG C 13 22.671 0.05 . 1 . . . . 15 . . . 6193 1 132 . 1 1 16 16 ARG HG2 H 1 1.375 0.015 . 1 . . . . 15 . . . 6193 1 133 . 1 1 16 16 ARG CD C 13 40.669 0.003 . 1 . . . . 15 . . . 6193 1 134 . 1 1 16 16 ARG HD2 H 1 3.144 0.002 . 1 . . . . 15 . . . 6193 1 135 . 1 1 16 16 ARG HD3 H 1 2.915 0.001 . 1 . . . . 15 . . . 6193 1 136 . 1 1 16 16 ARG NE N 15 81.822 0.04 . 1 . . . . 15 . . . 6193 1 137 . 1 1 16 16 ARG HE H 1 7.302 0.004 . 1 . . . . 15 . . . 6193 1 138 . 1 1 17 17 ARG H H 1 8.319 0.003 . 1 . . . . 16 . . . 6193 1 139 . 1 1 17 17 ARG N N 15 121.855 0.021 . 1 . . . . 16 . . . 6193 1 140 . 1 1 17 17 ARG CA C 13 52.637 0.05 . 1 . . . . 16 . . . 6193 1 141 . 1 1 17 17 ARG HA H 1 4.799 0.005 . 1 . . . . 16 . . . 6193 1 142 . 1 1 17 17 ARG C C 13 172.737 0.002 . 1 . . . . 16 . . . 6193 1 143 . 1 1 17 17 ARG CB C 13 28.803 0.05 . 1 . . . . 16 . . . 6193 1 144 . 1 1 17 17 ARG HB2 H 1 1.581 0.004 . 1 . . . . 16 . . . 6193 1 145 . 1 1 17 17 ARG HB3 H 1 1.384 0.015 . 1 . . . . 16 . . . 6193 1 146 . 1 1 17 17 ARG CG C 13 24.206 0.05 . 1 . . . . 16 . . . 6193 1 147 . 1 1 17 17 ARG HG2 H 1 1.137 0.015 . 1 . . . . 16 . . . 6193 1 148 . 1 1 17 17 ARG HG3 H 1 1.085 0.015 . 1 . . . . 16 . . . 6193 1 149 . 1 1 17 17 ARG CD C 13 40.719 0.05 . 1 . . . . 16 . . . 6193 1 150 . 1 1 17 17 ARG HD2 H 1 2.932 0.015 . 1 . . . . 16 . . . 6193 1 151 . 1 1 17 17 ARG NE N 15 83.880 0.04 . 1 . . . . 16 . . . 6193 1 152 . 1 1 17 17 ARG HE H 1 7.043 0.002 . 1 . . . . 16 . . . 6193 1 153 . 1 1 18 18 ILE H H 1 9.464 0.003 . 1 . . . . 17 . . . 6193 1 154 . 1 1 18 18 ILE N N 15 130.434 0.026 . 1 . . . . 17 . . . 6193 1 155 . 1 1 18 18 ILE CA C 13 58.271 0.029 . 1 . . . . 17 . . . 6193 1 156 . 1 1 18 18 ILE HA H 1 4.155 0.001 . 1 . . . . 17 . . . 6193 1 157 . 1 1 18 18 ILE C C 13 170.652 0.002 . 1 . . . . 17 . . . 6193 1 158 . 1 1 18 18 ILE CB C 13 39.895 0.045 . 1 . . . . 17 . . . 6193 1 159 . 1 1 18 18 ILE HB H 1 1.382 0.003 . 1 . . . . 17 . . . 6193 1 160 . 1 1 18 18 ILE HG21 H 1 0.609 0.015 . 1 . . . . 17 . . . 6193 1 161 . 1 1 18 18 ILE HG22 H 1 0.609 0.015 . 1 . . . . 17 . . . 6193 1 162 . 1 1 18 18 ILE HG23 H 1 0.609 0.015 . 1 . . . . 17 . . . 6193 1 163 . 1 1 19 19 VAL H H 1 8.577 0.002 . 1 . . . . 18 . . . 6193 1 164 . 1 1 19 19 VAL N N 15 127.129 0.010 . 1 . . . . 18 . . . 6193 1 165 . 1 1 19 19 VAL CA C 13 58.362 0.029 . 1 . . . . 18 . . . 6193 1 166 . 1 1 19 19 VAL HA H 1 4.781 0.015 . 1 . . . . 18 . . . 6193 1 167 . 1 1 19 19 VAL C C 13 173.082 0.001 . 1 . . . . 18 . . . 6193 1 168 . 1 1 19 19 VAL CB C 13 30.030 0.05 . 1 . . . . 18 . . . 6193 1 169 . 1 1 19 19 VAL HB H 1 1.674 0.003 . 1 . . . . 18 . . . 6193 1 170 . 1 1 19 19 VAL HG11 H 1 0.720 0.015 . 1 . . . . 18 . . . 6193 1 171 . 1 1 19 19 VAL HG12 H 1 0.720 0.015 . 1 . . . . 18 . . . 6193 1 172 . 1 1 19 19 VAL HG13 H 1 0.720 0.015 . 1 . . . . 18 . . . 6193 1 173 . 1 1 19 19 VAL HG21 H 1 0.396 0.015 . 1 . . . . 18 . . . 6193 1 174 . 1 1 19 19 VAL HG22 H 1 0.396 0.015 . 1 . . . . 18 . . . 6193 1 175 . 1 1 19 19 VAL HG23 H 1 0.396 0.015 . 1 . . . . 18 . . . 6193 1 176 . 1 1 20 20 ILE H H 1 8.914 0.003 . 1 . . . . 19 . . . 6193 1 177 . 1 1 20 20 ILE N N 15 125.437 0.016 . 1 . . . . 19 . . . 6193 1 178 . 1 1 20 20 ILE CA C 13 55.883 0.028 . 1 . . . . 19 . . . 6193 1 179 . 1 1 20 20 ILE HA H 1 4.338 0.004 . 1 . . . . 19 . . . 6193 1 180 . 1 1 20 20 ILE C C 13 170.862 0.008 . 1 . . . . 19 . . . 6193 1 181 . 1 1 20 20 ILE CB C 13 38.557 0.05 . 1 . . . . 19 . . . 6193 1 182 . 1 1 20 20 ILE HB H 1 1.537 0.015 . 1 . . . . 19 . . . 6193 1 183 . 1 1 20 20 ILE HG21 H 1 0.711 0.015 . 1 . . . . 19 . . . 6193 1 184 . 1 1 20 20 ILE HG22 H 1 0.711 0.015 . 1 . . . . 19 . . . 6193 1 185 . 1 1 20 20 ILE HG23 H 1 0.711 0.015 . 1 . . . . 19 . . . 6193 1 186 . 1 1 20 20 ILE HG13 H 1 0.991 0.015 . 1 . . . . 19 . . . 6193 1 187 . 1 1 21 21 HIS H H 1 8.508 0.007 . 1 . . . . 20 . . . 6193 1 188 . 1 1 21 21 HIS N N 15 124.353 0.046 . 1 . . . . 20 . . . 6193 1 189 . 1 1 21 21 HIS CA C 13 51.623 0.031 . 1 . . . . 20 . . . 6193 1 190 . 1 1 21 21 HIS HA H 1 5.115 0.004 . 1 . . . . 20 . . . 6193 1 191 . 1 1 21 21 HIS C C 13 171.972 0.007 . 1 . . . . 20 . . . 6193 1 192 . 1 1 21 21 HIS CB C 13 27.437 0.05 . 1 . . . . 20 . . . 6193 1 193 . 1 1 21 21 HIS HB2 H 1 2.934 0.002 . 1 . . . . 20 . . . 6193 1 194 . 1 1 21 21 HIS HB3 H 1 2.863 0.014 . 1 . . . . 20 . . . 6193 1 195 . 1 1 22 22 ARG H H 1 6.634 0.015 . 1 . . . . 21 . . . 6193 1 196 . 1 1 22 22 ARG N N 15 108.600 0.029 . 1 . . . . 21 . . . 6193 1 197 . 1 1 22 22 ARG CA C 13 54.937 0.05 . 1 . . . . 21 . . . 6193 1 198 . 1 1 22 22 ARG HA H 1 3.640 0.002 . 1 . . . . 21 . . . 6193 1 199 . 1 1 22 22 ARG C C 13 172.650 0.05 . 1 . . . . 21 . . . 6193 1 200 . 1 1 22 22 ARG CB C 13 28.958 0.05 . 1 . . . . 21 . . . 6193 1 201 . 1 1 22 22 ARG HB2 H 1 1.620 0.006 . 1 . . . . 21 . . . 6193 1 202 . 1 1 22 22 ARG CD C 13 40.211 0.002 . 1 . . . . 21 . . . 6193 1 203 . 1 1 22 22 ARG NE N 15 81.452 0.04 . 1 . . . . 21 . . . 6193 1 204 . 1 1 22 22 ARG HE H 1 6.631 0.006 . 1 . . . . 21 . . . 6193 1 205 . 1 1 23 23 GLY H H 1 7.696 0.004 . 1 . . . . 22 . . . 6193 1 206 . 1 1 23 23 GLY N N 15 112.251 0.021 . 1 . . . . 22 . . . 6193 1 207 . 1 1 23 23 GLY CA C 13 41.816 0.044 . 1 . . . . 22 . . . 6193 1 208 . 1 1 23 23 GLY HA2 H 1 4.497 0.005 . 1 . . . . 22 . . . 6193 1 209 . 1 1 23 23 GLY HA3 H 1 3.821 0.003 . 1 . . . . 22 . . . 6193 1 210 . 1 1 24 24 SER CA C 13 58.052 0.018 . 1 . . . . 23 . . . 6193 1 211 . 1 1 24 24 SER HA H 1 4.157 0.005 . 1 . . . . 23 . . . 6193 1 212 . 1 1 24 24 SER CB C 13 60.138 0.112 . 1 . . . . 23 . . . 6193 1 213 . 1 1 24 24 SER HB2 H 1 3.841 0.005 . 1 . . . . 23 . . . 6193 1 214 . 1 1 25 25 THR H H 1 7.938 0.005 . 1 . . . . 24 . . . 6193 1 215 . 1 1 25 25 THR N N 15 109.815 0.073 . 1 . . . . 24 . . . 6193 1 216 . 1 1 25 25 THR CA C 13 53.946 0.05 . 1 . . . . 24 . . . 6193 1 217 . 1 1 25 25 THR HA H 1 4.417 0.005 . 1 . . . . 24 . . . 6193 1 218 . 1 1 25 25 THR C C 13 173.130 0.015 . 1 . . . . 24 . . . 6193 1 219 . 1 1 25 25 THR CB C 13 66.378 0.076 . 1 . . . . 24 . . . 6193 1 220 . 1 1 25 25 THR HB H 1 4.352 0.001 . 1 . . . . 24 . . . 6193 1 221 . 1 1 25 25 THR HG21 H 1 0.981 0.001 . 1 . . . . 24 . . . 6193 1 222 . 1 1 25 25 THR HG22 H 1 0.981 0.001 . 1 . . . . 24 . . . 6193 1 223 . 1 1 25 25 THR HG23 H 1 0.981 0.001 . 1 . . . . 24 . . . 6193 1 224 . 1 1 26 26 GLY H H 1 7.655 0.003 . 1 . . . . 25 . . . 6193 1 225 . 1 1 26 26 GLY N N 15 108.791 0.016 . 1 . . . . 25 . . . 6193 1 226 . 1 1 26 26 GLY CA C 13 42.182 0.074 . 1 . . . . 25 . . . 6193 1 227 . 1 1 26 26 GLY HA2 H 1 4.343 0.002 . 1 . . . . 25 . . . 6193 1 228 . 1 1 26 26 GLY HA3 H 1 3.620 0.013 . 1 . . . . 25 . . . 6193 1 229 . 1 1 26 26 GLY C C 13 171.416 0.004 . 1 . . . . 25 . . . 6193 1 230 . 1 1 27 27 LEU H H 1 8.799 0.008 . 1 . . . . 26 . . . 6193 1 231 . 1 1 27 27 LEU N N 15 120.464 0.055 . 1 . . . . 26 . . . 6193 1 232 . 1 1 27 27 LEU CA C 13 52.693 0.023 . 1 . . . . 26 . . . 6193 1 233 . 1 1 27 27 LEU HA H 1 3.996 0.015 . 1 . . . . 26 . . . 6193 1 234 . 1 1 27 27 LEU C C 13 174.166 0.008 . 1 . . . . 26 . . . 6193 1 235 . 1 1 27 27 LEU CB C 13 39.738 0.05 . 1 . . . . 26 . . . 6193 1 236 . 1 1 27 27 LEU HB2 H 1 1.266 0.005 . 1 . . . . 26 . . . 6193 1 237 . 1 1 27 27 LEU HB3 H 1 1.125 0.001 . 1 . . . . 26 . . . 6193 1 238 . 1 1 28 28 GLY H H 1 8.358 0.003 . 1 . . . . 27 . . . 6193 1 239 . 1 1 28 28 GLY N N 15 102.3 0.033 . 1 . . . . 27 . . . 6193 1 240 . 1 1 28 28 GLY CA C 13 43.341 0.031 . 1 . . . . 27 . . . 6193 1 241 . 1 1 28 28 GLY HA2 H 1 4.072 0.005 . 1 . . . . 27 . . . 6193 1 242 . 1 1 28 28 GLY HA3 H 1 3.704 0.002 . 1 . . . . 27 . . . 6193 1 243 . 1 1 28 28 GLY C C 13 172.555 0.005 . 1 . . . . 27 . . . 6193 1 244 . 1 1 29 29 PHE H H 1 7.082 0.002 . 1 . . . . 28 . . . 6193 1 245 . 1 1 29 29 PHE N N 15 114.410 0.020 . 1 . . . . 28 . . . 6193 1 246 . 1 1 29 29 PHE CA C 13 53.341 0.032 . 1 . . . . 28 . . . 6193 1 247 . 1 1 29 29 PHE HA H 1 5.249 0.001 . 1 . . . . 28 . . . 6193 1 248 . 1 1 29 29 PHE C C 13 169.674 0.004 . 1 . . . . 28 . . . 6193 1 249 . 1 1 29 29 PHE CB C 13 38.421 0.05 . 1 . . . . 28 . . . 6193 1 250 . 1 1 29 29 PHE HB2 H 1 3.284 0.001 . 1 . . . . 28 . . . 6193 1 251 . 1 1 29 29 PHE HB3 H 1 2.765 0.006 . 1 . . . . 28 . . . 6193 1 252 . 1 1 30 30 ASN H H 1 8.653 0.005 . 1 . . . . 29 . . . 6193 1 253 . 1 1 30 30 ASN N N 15 118.277 0.045 . 1 . . . . 29 . . . 6193 1 254 . 1 1 30 30 ASN CA C 13 48.345 0.011 . 1 . . . . 29 . . . 6193 1 255 . 1 1 30 30 ASN HA H 1 5.204 0.002 . 1 . . . . 29 . . . 6193 1 256 . 1 1 30 30 ASN C C 13 171.834 0.008 . 1 . . . . 29 . . . 6193 1 257 . 1 1 30 30 ASN CB C 13 38.486 0.009 . 1 . . . . 29 . . . 6193 1 258 . 1 1 30 30 ASN HB2 H 1 2.923 0.002 . 1 . . . . 29 . . . 6193 1 259 . 1 1 30 30 ASN HB3 H 1 2.627 0.002 . 1 . . . . 29 . . . 6193 1 260 . 1 1 30 30 ASN CG C 13 173.313 0.005 . 1 . . . . 29 . . . 6193 1 261 . 1 1 30 30 ASN ND2 N 15 110.572 0.017 . 1 . . . . 29 . . . 6193 1 262 . 1 1 30 30 ASN HD21 H 1 7.249 0.004 . 1 . . . . 29 . . . 6193 1 263 . 1 1 30 30 ASN HD22 H 1 6.707 0.001 . 1 . . . . 29 . . . 6193 1 264 . 1 1 31 31 ILE H H 1 8.297 0.003 . 1 . . . . 30 . . . 6193 1 265 . 1 1 31 31 ILE N N 15 111.087 0.021 . 1 . . . . 30 . . . 6193 1 266 . 1 1 31 31 ILE CA C 13 55.972 0.051 . 1 . . . . 30 . . . 6193 1 267 . 1 1 31 31 ILE HA H 1 5.738 0.006 . 1 . . . . 30 . . . 6193 1 268 . 1 1 31 31 ILE C C 13 173.121 0.002 . 1 . . . . 30 . . . 6193 1 269 . 1 1 31 31 ILE CB C 13 40.069 0.05 . 1 . . . . 30 . . . 6193 1 270 . 1 1 31 31 ILE HB H 1 1.636 0.003 . 1 . . . . 30 . . . 6193 1 271 . 1 1 31 31 ILE HG21 H 1 0.725 0.015 . 1 . . . . 30 . . . 6193 1 272 . 1 1 31 31 ILE HG22 H 1 0.725 0.015 . 1 . . . . 30 . . . 6193 1 273 . 1 1 31 31 ILE HG23 H 1 0.725 0.015 . 1 . . . . 30 . . . 6193 1 274 . 1 1 31 31 ILE HD11 H 1 0.333 0.015 . 1 . . . . 30 . . . 6193 1 275 . 1 1 31 31 ILE HD12 H 1 0.333 0.015 . 1 . . . . 30 . . . 6193 1 276 . 1 1 31 31 ILE HD13 H 1 0.333 0.015 . 1 . . . . 30 . . . 6193 1 277 . 1 1 32 32 VAL H H 1 9.100 0.003 . 1 . . . . 31 . . . 6193 1 278 . 1 1 32 32 VAL N N 15 115.541 0.037 . 1 . . . . 31 . . . 6193 1 279 . 1 1 32 32 VAL CA C 13 56.837 0.028 . 1 . . . . 31 . . . 6193 1 280 . 1 1 32 32 VAL HA H 1 4.561 0.004 . 1 . . . . 31 . . . 6193 1 281 . 1 1 32 32 VAL C C 13 170.823 0.004 . 1 . . . . 31 . . . 6193 1 282 . 1 1 32 32 VAL CB C 13 33.546 0.05 . 1 . . . . 31 . . . 6193 1 283 . 1 1 32 32 VAL HB H 1 2.035 0.001 . 1 . . . . 31 . . . 6193 1 284 . 1 1 32 32 VAL HG21 H 1 0.571 0.015 . 1 . . . . 31 . . . 6193 1 285 . 1 1 32 32 VAL HG22 H 1 0.571 0.015 . 1 . . . . 31 . . . 6193 1 286 . 1 1 32 32 VAL HG23 H 1 0.571 0.015 . 1 . . . . 31 . . . 6193 1 287 . 1 1 33 33 GLY H H 1 8.315 0.004 . 1 . . . . 32 . . . 6193 1 288 . 1 1 33 33 GLY N N 15 107.149 0.033 . 1 . . . . 32 . . . 6193 1 289 . 1 1 33 33 GLY CA C 13 41.351 0.062 . 1 . . . . 32 . . . 6193 1 290 . 1 1 33 33 GLY HA2 H 1 4.897 0.015 . 1 . . . . 32 . . . 6193 1 291 . 1 1 33 33 GLY HA3 H 1 4.033 0.002 . 1 . . . . 32 . . . 6193 1 292 . 1 1 33 33 GLY C C 13 172.496 0.001 . 1 . . . . 32 . . . 6193 1 293 . 1 1 34 34 GLY H H 1 8.225 0.008 . 1 . . . . 33 . . . 6193 1 294 . 1 1 34 34 GLY N N 15 106.910 0.044 . 1 . . . . 33 . . . 6193 1 295 . 1 1 34 34 GLY CA C 13 43.050 0.045 . 1 . . . . 33 . . . 6193 1 296 . 1 1 34 34 GLY HA2 H 1 4.056 0.003 . 1 . . . . 33 . . . 6193 1 297 . 1 1 34 34 GLY HA3 H 1 3.922 0.001 . 1 . . . . 33 . . . 6193 1 298 . 1 1 34 34 GLY C C 13 172.500 0.001 . 1 . . . . 33 . . . 6193 1 299 . 1 1 35 35 GLU H H 1 8.963 0.005 . 1 . . . . 34 . . . 6193 1 300 . 1 1 35 35 GLU N N 15 121.875 0.010 . 1 . . . . 34 . . . 6193 1 301 . 1 1 35 35 GLU CA C 13 53.907 0.068 . 1 . . . . 34 . . . 6193 1 302 . 1 1 35 35 GLU HA H 1 4.352 0.005 . 1 . . . . 34 . . . 6193 1 303 . 1 1 35 35 GLU C C 13 174.135 0.002 . 1 . . . . 34 . . . 6193 1 304 . 1 1 35 35 GLU CB C 13 27.487 0.05 . 1 . . . . 34 . . . 6193 1 305 . 1 1 35 35 GLU HB2 H 1 1.982 0.005 . 1 . . . . 34 . . . 6193 1 306 . 1 1 35 35 GLU HB3 H 1 1.884 0.003 . 1 . . . . 34 . . . 6193 1 307 . 1 1 35 35 GLU HG2 H 1 2.216 0.002 . 1 . . . . 34 . . . 6193 1 308 . 1 1 35 35 GLU HG3 H 1 2.160 0.001 . 1 . . . . 34 . . . 6193 1 309 . 1 1 36 36 ASP H H 1 9.140 0.003 . 1 . . . . 35 . . . 6193 1 310 . 1 1 36 36 ASP N N 15 120.971 0.013 . 1 . . . . 35 . . . 6193 1 311 . 1 1 36 36 ASP CA C 13 52.022 0.036 . 1 . . . . 35 . . . 6193 1 312 . 1 1 36 36 ASP HA H 1 4.381 0.004 . 1 . . . . 35 . . . 6193 1 313 . 1 1 36 36 ASP C C 13 173.667 0.006 . 1 . . . . 35 . . . 6193 1 314 . 1 1 36 36 ASP CB C 13 37.809 0.05 . 1 . . . . 35 . . . 6193 1 315 . 1 1 36 36 ASP HB2 H 1 2.709 0.003 . 1 . . . . 35 . . . 6193 1 316 . 1 1 36 36 ASP HB3 H 1 2.463 0.003 . 1 . . . . 35 . . . 6193 1 317 . 1 1 37 37 GLY H H 1 8.319 0.003 . 1 . . . . 36 . . . 6193 1 318 . 1 1 37 37 GLY N N 15 106.746 0.011 . 1 . . . . 36 . . . 6193 1 319 . 1 1 37 37 GLY CA C 13 43.494 0.089 . 1 . . . . 36 . . . 6193 1 320 . 1 1 37 37 GLY HA2 H 1 3.903 0.002 . 1 . . . . 36 . . . 6193 1 321 . 1 1 37 37 GLY HA3 H 1 3.621 0.004 . 1 . . . . 36 . . . 6193 1 322 . 1 1 37 37 GLY C C 13 172.680 0.006 . 1 . . . . 36 . . . 6193 1 323 . 1 1 38 38 GLU H H 1 8.457 0.005 . 1 . . . . 37 . . . 6193 1 324 . 1 1 38 38 GLU N N 15 118.541 0.047 . 1 . . . . 37 . . . 6193 1 325 . 1 1 38 38 GLU CA C 13 54.547 0.060 . 1 . . . . 37 . . . 6193 1 326 . 1 1 38 38 GLU HA H 1 4.236 0.004 . 1 . . . . 37 . . . 6193 1 327 . 1 1 38 38 GLU C C 13 173.700 0.009 . 1 . . . . 37 . . . 6193 1 328 . 1 1 38 38 GLU CB C 13 27.065 0.05 . 1 . . . . 37 . . . 6193 1 329 . 1 1 38 38 GLU HB2 H 1 2.124 0.001 . 1 . . . . 37 . . . 6193 1 330 . 1 1 38 38 GLU HG2 H 1 2.401 0.015 . 1 . . . . 37 . . . 6193 1 331 . 1 1 39 39 GLY H H 1 8.245 0.002 . 1 . . . . 38 . . . 6193 1 332 . 1 1 39 39 GLY N N 15 108.349 0.042 . 1 . . . . 38 . . . 6193 1 333 . 1 1 39 39 GLY CA C 13 41.479 0.072 . 1 . . . . 38 . . . 6193 1 334 . 1 1 39 39 GLY HA2 H 1 4.101 0.005 . 1 . . . . 38 . . . 6193 1 335 . 1 1 39 39 GLY HA3 H 1 3.490 0.003 . 1 . . . . 38 . . . 6193 1 336 . 1 1 39 39 GLY C C 13 168.655 0.002 . 1 . . . . 38 . . . 6193 1 337 . 1 1 40 40 ILE H H 1 8.279 0.003 . 1 . . . . 39 . . . 6193 1 338 . 1 1 40 40 ILE N N 15 118.790 0.025 . 1 . . . . 39 . . . 6193 1 339 . 1 1 40 40 ILE CA C 13 54.223 0.073 . 1 . . . . 39 . . . 6193 1 340 . 1 1 40 40 ILE HA H 1 4.606 0.007 . 1 . . . . 39 . . . 6193 1 341 . 1 1 40 40 ILE C C 13 172.041 0.005 . 1 . . . . 39 . . . 6193 1 342 . 1 1 40 40 ILE CB C 13 33.921 0.05 . 1 . . . . 39 . . . 6193 1 343 . 1 1 40 40 ILE HB H 1 1.905 0.005 . 1 . . . . 39 . . . 6193 1 344 . 1 1 40 40 ILE HG21 H 1 0.545 0.015 . 1 . . . . 39 . . . 6193 1 345 . 1 1 40 40 ILE HG22 H 1 0.545 0.015 . 1 . . . . 39 . . . 6193 1 346 . 1 1 40 40 ILE HG23 H 1 0.545 0.015 . 1 . . . . 39 . . . 6193 1 347 . 1 1 40 40 ILE HG12 H 1 0.545 0.015 . 1 . . . . 39 . . . 6193 1 348 . 1 1 40 40 ILE HD11 H 1 0.348 0.015 . 1 . . . . 39 . . . 6193 1 349 . 1 1 40 40 ILE HD12 H 1 0.348 0.015 . 1 . . . . 39 . . . 6193 1 350 . 1 1 40 40 ILE HD13 H 1 0.348 0.015 . 1 . . . . 39 . . . 6193 1 351 . 1 1 41 41 PHE H H 1 8.892 0.004 . 1 . . . . 40 . . . 6193 1 352 . 1 1 41 41 PHE N N 15 123.271 0.011 . 1 . . . . 40 . . . 6193 1 353 . 1 1 41 41 PHE CA C 13 52.434 0.112 . 1 . . . . 40 . . . 6193 1 354 . 1 1 41 41 PHE HA H 1 5.437 0.015 . 1 . . . . 40 . . . 6193 1 355 . 1 1 41 41 PHE C C 13 172.911 0.007 . 1 . . . . 40 . . . 6193 1 356 . 1 1 41 41 PHE CB C 13 41.336 0.05 . 1 . . . . 40 . . . 6193 1 357 . 1 1 41 41 PHE HB2 H 1 2.530 0.015 . 1 . . . . 40 . . . 6193 1 358 . 1 1 41 41 PHE HB3 H 1 2.369 0.015 . 1 . . . . 40 . . . 6193 1 359 . 1 1 42 42 ILE H H 1 8.826 0.002 . 1 . . . . 41 . . . 6193 1 360 . 1 1 42 42 ILE N N 15 119.593 0.051 . 1 . . . . 41 . . . 6193 1 361 . 1 1 42 42 ILE CA C 13 58.520 0.171 . 1 . . . . 41 . . . 6193 1 362 . 1 1 42 42 ILE HA H 1 4.330 0.010 . 1 . . . . 41 . . . 6193 1 363 . 1 1 42 42 ILE C C 13 172.516 0.004 . 1 . . . . 41 . . . 6193 1 364 . 1 1 42 42 ILE CB C 13 33.823 0.05 . 1 . . . . 41 . . . 6193 1 365 . 1 1 42 42 ILE HB H 1 1.957 0.001 . 1 . . . . 41 . . . 6193 1 366 . 1 1 42 42 ILE HG21 H 1 0.524 0.015 . 1 . . . . 41 . . . 6193 1 367 . 1 1 42 42 ILE HG22 H 1 0.524 0.015 . 1 . . . . 41 . . . 6193 1 368 . 1 1 42 42 ILE HG23 H 1 0.524 0.015 . 1 . . . . 41 . . . 6193 1 369 . 1 1 42 42 ILE HG12 H 1 0.519 0.015 . 1 . . . . 41 . . . 6193 1 370 . 1 1 42 42 ILE HD11 H 1 0.011 0.015 . 1 . . . . 41 . . . 6193 1 371 . 1 1 42 42 ILE HD12 H 1 0.011 0.015 . 1 . . . . 41 . . . 6193 1 372 . 1 1 42 42 ILE HD13 H 1 0.011 0.015 . 1 . . . . 41 . . . 6193 1 373 . 1 1 43 43 SER H H 1 8.558 0.004 . 1 . . . . 42 . . . 6193 1 374 . 1 1 43 43 SER N N 15 120.599 0.040 . 1 . . . . 42 . . . 6193 1 375 . 1 1 43 43 SER CA C 13 54.564 0.048 . 1 . . . . 42 . . . 6193 1 376 . 1 1 43 43 SER HA H 1 4.726 0.001 . 1 . . . . 42 . . . 6193 1 377 . 1 1 43 43 SER C C 13 172.671 0.006 . 1 . . . . 42 . . . 6193 1 378 . 1 1 43 43 SER CB C 13 62.916 0.05 . 1 . . . . 42 . . . 6193 1 379 . 1 1 43 43 SER HB2 H 1 3.978 0.003 . 1 . . . . 42 . . . 6193 1 380 . 1 1 43 43 SER HB3 H 1 3.564 0.004 . 1 . . . . 42 . . . 6193 1 381 . 1 1 44 44 PHE H H 1 7.098 0.002 . 1 . . . . 43 . . . 6193 1 382 . 1 1 44 44 PHE N N 15 120.980 0.012 . 1 . . . . 43 . . . 6193 1 383 . 1 1 44 44 PHE CA C 13 55.689 0.049 . 1 . . . . 43 . . . 6193 1 384 . 1 1 44 44 PHE HA H 1 4.464 0.005 . 1 . . . . 43 . . . 6193 1 385 . 1 1 44 44 PHE C C 13 170.117 0.006 . 1 . . . . 43 . . . 6193 1 386 . 1 1 44 44 PHE CB C 13 40.053 0.05 . 1 . . . . 43 . . . 6193 1 387 . 1 1 44 44 PHE HB2 H 1 3.316 0.005 . 1 . . . . 43 . . . 6193 1 388 . 1 1 44 44 PHE HB3 H 1 2.411 0.002 . 1 . . . . 43 . . . 6193 1 389 . 1 1 45 45 ILE H H 1 7.899 0.002 . 1 . . . . 44 . . . 6193 1 390 . 1 1 45 45 ILE N N 15 127.230 0.037 . 1 . . . . 44 . . . 6193 1 391 . 1 1 45 45 ILE CA C 13 56.278 0.100 . 1 . . . . 44 . . . 6193 1 392 . 1 1 45 45 ILE HA H 1 4.014 0.004 . 1 . . . . 44 . . . 6193 1 393 . 1 1 45 45 ILE C C 13 170.873 0.001 . 1 . . . . 44 . . . 6193 1 394 . 1 1 45 45 ILE CB C 13 35.836 0.05 . 1 . . . . 44 . . . 6193 1 395 . 1 1 45 45 ILE HB H 1 1.444 0.015 . 1 . . . . 44 . . . 6193 1 396 . 1 1 45 45 ILE HG21 H 1 0.534 0.015 . 1 . . . . 44 . . . 6193 1 397 . 1 1 45 45 ILE HG22 H 1 0.534 0.015 . 1 . . . . 44 . . . 6193 1 398 . 1 1 45 45 ILE HG23 H 1 0.534 0.015 . 1 . . . . 44 . . . 6193 1 399 . 1 1 45 45 ILE HG12 H 1 0.532 0.015 . 1 . . . . 44 . . . 6193 1 400 . 1 1 45 45 ILE HD11 H 1 0.315 0.015 . 1 . . . . 44 . . . 6193 1 401 . 1 1 45 45 ILE HD12 H 1 0.315 0.015 . 1 . . . . 44 . . . 6193 1 402 . 1 1 45 45 ILE HD13 H 1 0.315 0.015 . 1 . . . . 44 . . . 6193 1 403 . 1 1 46 46 LEU H H 1 7.374 0.002 . 1 . . . . 45 . . . 6193 1 404 . 1 1 46 46 LEU N N 15 126.919 0.019 . 1 . . . . 45 . . . 6193 1 405 . 1 1 46 46 LEU CA C 13 52.256 0.042 . 1 . . . . 45 . . . 6193 1 406 . 1 1 46 46 LEU HA H 1 3.864 0.004 . 1 . . . . 45 . . . 6193 1 407 . 1 1 46 46 LEU C C 13 174.314 0.003 . 1 . . . . 45 . . . 6193 1 408 . 1 1 46 46 LEU CB C 13 39.845 0.05 . 1 . . . . 45 . . . 6193 1 409 . 1 1 46 46 LEU HB2 H 1 1.504 0.006 . 1 . . . . 45 . . . 6193 1 410 . 1 1 46 46 LEU HB3 H 1 1.290 0.004 . 1 . . . . 45 . . . 6193 1 411 . 1 1 46 46 LEU HD11 H 1 0.928 0.015 . 1 . . . . 45 . . . 6193 1 412 . 1 1 46 46 LEU HD12 H 1 0.928 0.015 . 1 . . . . 45 . . . 6193 1 413 . 1 1 46 46 LEU HD13 H 1 0.928 0.015 . 1 . . . . 45 . . . 6193 1 414 . 1 1 46 46 LEU HD21 H 1 0.815 0.015 . 1 . . . . 45 . . . 6193 1 415 . 1 1 46 46 LEU HD22 H 1 0.815 0.015 . 1 . . . . 45 . . . 6193 1 416 . 1 1 46 46 LEU HD23 H 1 0.815 0.015 . 1 . . . . 45 . . . 6193 1 417 . 1 1 46 46 LEU HG H 1 1.423 0.015 . 1 . . . . 45 . . . 6193 1 418 . 1 1 47 47 ALA H H 1 8.867 0.003 . 1 . . . . 46 . . . 6193 1 419 . 1 1 47 47 ALA N N 15 120.585 13.573 . 1 . . . . 46 . . . 6193 1 420 . 1 1 47 47 ALA CA C 13 50.892 0.240 . 1 . . . . 46 . . . 6193 1 421 . 1 1 47 47 ALA HA H 1 3.964 0.006 . 1 . . . . 46 . . . 6193 1 422 . 1 1 47 47 ALA C C 13 176.387 0.002 . 1 . . . . 46 . . . 6193 1 423 . 1 1 47 47 ALA CB C 13 14.836 0.05 . 1 . . . . 46 . . . 6193 1 424 . 1 1 47 47 ALA HB1 H 1 1.251 0.002 . 1 . . . . 46 . . . 6193 1 425 . 1 1 47 47 ALA HB2 H 1 1.251 0.002 . 1 . . . . 46 . . . 6193 1 426 . 1 1 47 47 ALA HB3 H 1 1.251 0.002 . 1 . . . . 46 . . . 6193 1 427 . 1 1 48 48 GLY H H 1 10.470 0.002 . 1 . . . . 47 . . . 6193 1 428 . 1 1 48 48 GLY N N 15 113.692 0.015 . 1 . . . . 47 . . . 6193 1 429 . 1 1 48 48 GLY CA C 13 42.490 0.043 . 1 . . . . 47 . . . 6193 1 430 . 1 1 48 48 GLY HA2 H 1 4.063 0.005 . 1 . . . . 47 . . . 6193 1 431 . 1 1 48 48 GLY HA3 H 1 3.531 0.004 . 1 . . . . 47 . . . 6193 1 432 . 1 1 48 48 GLY C C 13 171.593 0.004 . 1 . . . . 47 . . . 6193 1 433 . 1 1 49 49 GLY H H 1 7.600 0.002 . 1 . . . . 48 . . . 6193 1 434 . 1 1 49 49 GLY N N 15 105.791 0.024 . 1 . . . . 48 . . . 6193 1 435 . 1 1 49 49 GLY CA C 13 42.467 0.046 . 1 . . . . 48 . . . 6193 1 436 . 1 1 49 49 GLY HA2 H 1 4.386 0.003 . 1 . . . . 48 . . . 6193 1 437 . 1 1 49 49 GLY HA3 H 1 3.659 0.004 . 1 . . . . 48 . . . 6193 1 438 . 1 1 50 50 PRO CA C 13 63.136 0.066 . 1 . . . . 49 . . . 6193 1 439 . 1 1 50 50 PRO HA H 1 4.096 0.005 . 1 . . . . 49 . . . 6193 1 440 . 1 1 50 50 PRO C C 13 176.370 0.002 . 1 . . . . 49 . . . 6193 1 441 . 1 1 50 50 PRO CB C 13 29.463 0.027 . 1 . . . . 49 . . . 6193 1 442 . 1 1 50 50 PRO HB2 H 1 2.524 0.001 . 1 . . . . 49 . . . 6193 1 443 . 1 1 50 50 PRO HB3 H 1 1.974 0.226 . 1 . . . . 49 . . . 6193 1 444 . 1 1 50 50 PRO HG2 H 1 1.914 0.007 . 1 . . . . 49 . . . 6193 1 445 . 1 1 51 51 ALA H H 1 7.404 0.002 . 1 . . . . 50 . . . 6193 1 446 . 1 1 51 51 ALA N N 15 117.599 0.016 . 1 . . . . 50 . . . 6193 1 447 . 1 1 51 51 ALA CA C 13 51.619 0.012 . 1 . . . . 50 . . . 6193 1 448 . 1 1 51 51 ALA HA H 1 4.077 0.001 . 1 . . . . 50 . . . 6193 1 449 . 1 1 51 51 ALA C C 13 176.716 0.002 . 1 . . . . 50 . . . 6193 1 450 . 1 1 51 51 ALA CB C 13 16.194 0.05 . 1 . . . . 50 . . . 6193 1 451 . 1 1 51 51 ALA HB1 H 1 1.394 0.002 . 1 . . . . 50 . . . 6193 1 452 . 1 1 51 51 ALA HB2 H 1 1.394 0.002 . 1 . . . . 50 . . . 6193 1 453 . 1 1 51 51 ALA HB3 H 1 1.394 0.002 . 1 . . . . 50 . . . 6193 1 454 . 1 1 52 52 ASP H H 1 8.738 0.002 . 1 . . . . 51 . . . 6193 1 455 . 1 1 52 52 ASP N N 15 123.271 0.012 . 1 . . . . 51 . . . 6193 1 456 . 1 1 52 52 ASP CA C 13 53.863 0.020 . 1 . . . . 51 . . . 6193 1 457 . 1 1 52 52 ASP HA H 1 4.155 0.015 . 1 . . . . 51 . . . 6193 1 458 . 1 1 52 52 ASP C C 13 174.891 0.004 . 1 . . . . 51 . . . 6193 1 459 . 1 1 52 52 ASP CB C 13 39.911 0.05 . 1 . . . . 51 . . . 6193 1 460 . 1 1 52 52 ASP HB2 H 1 2.688 0.001 . 1 . . . . 51 . . . 6193 1 461 . 1 1 53 53 LEU H H 1 8.173 0.002 . 1 . . . . 52 . . . 6193 1 462 . 1 1 53 53 LEU N N 15 116.989 0.025 . 1 . . . . 52 . . . 6193 1 463 . 1 1 53 53 LEU CA C 13 54.336 0.021 . 1 . . . . 52 . . . 6193 1 464 . 1 1 53 53 LEU HA H 1 3.877 0.001 . 1 . . . . 52 . . . 6193 1 465 . 1 1 53 53 LEU C C 13 176.536 0.008 . 1 . . . . 52 . . . 6193 1 466 . 1 1 53 53 LEU CB C 13 38.573 0.05 . 1 . . . . 52 . . . 6193 1 467 . 1 1 53 53 LEU HB2 H 1 1.578 0.015 . 1 . . . . 52 . . . 6193 1 468 . 1 1 53 53 LEU HB3 H 1 1.377 0.005 . 1 . . . . 52 . . . 6193 1 469 . 1 1 54 54 SER H H 1 7.633 0.002 . 1 . . . . 53 . . . 6193 1 470 . 1 1 54 54 SER N N 15 112.211 0.030 . 1 . . . . 53 . . . 6193 1 471 . 1 1 54 54 SER CA C 13 57.184 0.046 . 1 . . . . 53 . . . 6193 1 472 . 1 1 54 54 SER HA H 1 4.240 0.005 . 1 . . . . 53 . . . 6193 1 473 . 1 1 54 54 SER C C 13 173.482 0.004 . 1 . . . . 53 . . . 6193 1 474 . 1 1 54 54 SER CB C 13 60.574 0.027 . 1 . . . . 53 . . . 6193 1 475 . 1 1 54 54 SER HB2 H 1 4.012 0.004 . 1 . . . . 53 . . . 6193 1 476 . 1 1 54 54 SER HB3 H 1 3.823 0.004 . 1 . . . . 53 . . . 6193 1 477 . 1 1 55 55 GLY H H 1 7.440 0.002 . 1 . . . . 54 . . . 6193 1 478 . 1 1 55 55 GLY N N 15 107.276 0.017 . 1 . . . . 54 . . . 6193 1 479 . 1 1 55 55 GLY CA C 13 43.762 0.025 . 1 . . . . 54 . . . 6193 1 480 . 1 1 55 55 GLY HA2 H 1 3.869 0.001 . 1 . . . . 54 . . . 6193 1 481 . 1 1 55 55 GLY C C 13 172.062 0.007 . 1 . . . . 54 . . . 6193 1 482 . 1 1 56 56 GLU H H 1 7.671 0.003 . 1 . . . . 55 . . . 6193 1 483 . 1 1 56 56 GLU N N 15 117.572 0.015 . 1 . . . . 55 . . . 6193 1 484 . 1 1 56 56 GLU CA C 13 54.843 0.018 . 1 . . . . 55 . . . 6193 1 485 . 1 1 56 56 GLU HA H 1 4.136 0.002 . 1 . . . . 55 . . . 6193 1 486 . 1 1 56 56 GLU C C 13 173.349 0.003 . 1 . . . . 55 . . . 6193 1 487 . 1 1 56 56 GLU CB C 13 30.022 0.05 . 1 . . . . 55 . . . 6193 1 488 . 1 1 56 56 GLU HB2 H 1 1.997 0.001 . 1 . . . . 55 . . . 6193 1 489 . 1 1 56 56 GLU HB3 H 1 1.524 0.004 . 1 . . . . 55 . . . 6193 1 490 . 1 1 56 56 GLU HG2 H 1 2.153 0.015 . 1 . . . . 55 . . . 6193 1 491 . 1 1 57 57 LEU H H 1 7.839 0.002 . 1 . . . . 56 . . . 6193 1 492 . 1 1 57 57 LEU N N 15 119.291 0.019 . 1 . . . . 56 . . . 6193 1 493 . 1 1 57 57 LEU CA C 13 51.250 0.041 . 1 . . . . 56 . . . 6193 1 494 . 1 1 57 57 LEU HA H 1 4.050 0.003 . 1 . . . . 56 . . . 6193 1 495 . 1 1 57 57 LEU C C 13 172.571 0.002 . 1 . . . . 56 . . . 6193 1 496 . 1 1 57 57 LEU CB C 13 42.152 0.034 . 1 . . . . 56 . . . 6193 1 497 . 1 1 57 57 LEU HB2 H 1 1.092 0.004 . 1 . . . . 56 . . . 6193 1 498 . 1 1 57 57 LEU HB3 H 1 0.921 0.015 . 1 . . . . 56 . . . 6193 1 499 . 1 1 57 57 LEU HD11 H 1 0.331 0.015 . 1 . . . . 56 . . . 6193 1 500 . 1 1 57 57 LEU HD12 H 1 0.331 0.015 . 1 . . . . 56 . . . 6193 1 501 . 1 1 57 57 LEU HD13 H 1 0.331 0.015 . 1 . . . . 56 . . . 6193 1 502 . 1 1 57 57 LEU HD21 H 1 0.236 0.015 . 1 . . . . 56 . . . 6193 1 503 . 1 1 57 57 LEU HD22 H 1 0.236 0.015 . 1 . . . . 56 . . . 6193 1 504 . 1 1 57 57 LEU HD23 H 1 0.236 0.015 . 1 . . . . 56 . . . 6193 1 505 . 1 1 57 57 LEU HG H 1 0.934 0.015 . 1 . . . . 56 . . . 6193 1 506 . 1 1 58 58 ARG H H 1 9.202 0.005 . 1 . . . . 57 . . . 6193 1 507 . 1 1 58 58 ARG N N 15 120.950 0.012 . 1 . . . . 57 . . . 6193 1 508 . 1 1 58 58 ARG CA C 13 50.798 0.051 . 1 . . . . 57 . . . 6193 1 509 . 1 1 58 58 ARG HA H 1 4.231 0.005 . 1 . . . . 57 . . . 6193 1 510 . 1 1 58 58 ARG C C 13 172.208 0.05 . 1 . . . . 57 . . . 6193 1 511 . 1 1 58 58 ARG CB C 13 30.980 0.045 . 1 . . . . 57 . . . 6193 1 512 . 1 1 58 58 ARG HB2 H 1 1.425 0.003 . 1 . . . . 57 . . . 6193 1 513 . 1 1 58 58 ARG HB3 H 1 1.266 0.002 . 1 . . . . 57 . . . 6193 1 514 . 1 1 58 58 ARG CG C 13 22.987 0.05 . 1 . . . . 57 . . . 6193 1 515 . 1 1 58 58 ARG HG2 H 1 1.163 0.001 . 1 . . . . 57 . . . 6193 1 516 . 1 1 58 58 ARG HG3 H 1 0.975 0.015 . 1 . . . . 57 . . . 6193 1 517 . 1 1 58 58 ARG CD C 13 40.102 0.045 . 1 . . . . 57 . . . 6193 1 518 . 1 1 58 58 ARG HD2 H 1 2.540 0.015 . 1 . . . . 57 . . . 6193 1 519 . 1 1 58 58 ARG HD3 H 1 2.412 0.005 . 1 . . . . 57 . . . 6193 1 520 . 1 1 58 58 ARG NE N 15 83.978 0.04 . 1 . . . . 57 . . . 6193 1 521 . 1 1 58 58 ARG HE H 1 6.833 0.002 . 1 . . . . 57 . . . 6193 1 522 . 1 1 59 59 LYS H H 1 8.100 0.003 . 1 . . . . 58 . . . 6193 1 523 . 1 1 59 59 LYS N N 15 119.965 0.024 . 1 . . . . 58 . . . 6193 1 524 . 1 1 59 59 LYS CA C 13 54.559 0.044 . 1 . . . . 58 . . . 6193 1 525 . 1 1 59 59 LYS HA H 1 3.574 0.005 . 1 . . . . 58 . . . 6193 1 526 . 1 1 59 59 LYS C C 13 174.491 0.004 . 1 . . . . 58 . . . 6193 1 527 . 1 1 59 59 LYS CB C 13 29.010 0.029 . 1 . . . . 58 . . . 6193 1 528 . 1 1 59 59 LYS HB2 H 1 1.330 0.001 . 1 . . . . 58 . . . 6193 1 529 . 1 1 59 59 LYS HG2 H 1 1.172 0.002 . 1 . . . . 58 . . . 6193 1 530 . 1 1 59 59 LYS HD2 H 1 1.357 0.015 . 1 . . . . 58 . . . 6193 1 531 . 1 1 59 59 LYS HE2 H 1 2.895 0.015 . 1 . . . . 58 . . . 6193 1 532 . 1 1 60 60 GLY H H 1 8.351 0.004 . 1 . . . . 59 . . . 6193 1 533 . 1 1 60 60 GLY N N 15 114.198 0.022 . 1 . . . . 59 . . . 6193 1 534 . 1 1 60 60 GLY CA C 13 42.199 0.044 . 1 . . . . 59 . . . 6193 1 535 . 1 1 60 60 GLY HA2 H 1 3.859 0.006 . 1 . . . . 59 . . . 6193 1 536 . 1 1 60 60 GLY HA3 H 1 2.697 0.003 . 1 . . . . 59 . . . 6193 1 537 . 1 1 60 60 GLY C C 13 170.230 0.002 . 1 . . . . 59 . . . 6193 1 538 . 1 1 61 61 ASP H H 1 7.748 0.003 . 1 . . . . 60 . . . 6193 1 539 . 1 1 61 61 ASP N N 15 118.487 0.022 . 1 . . . . 60 . . . 6193 1 540 . 1 1 61 61 ASP CA C 13 52.807 0.042 . 1 . . . . 60 . . . 6193 1 541 . 1 1 61 61 ASP HA H 1 5.011 0.005 . 1 . . . . 60 . . . 6193 1 542 . 1 1 61 61 ASP C C 13 173.322 0.003 . 1 . . . . 60 . . . 6193 1 543 . 1 1 61 61 ASP CB C 13 39.352 0.020 . 1 . . . . 60 . . . 6193 1 544 . 1 1 61 61 ASP HB2 H 1 2.700 0.002 . 1 . . . . 60 . . . 6193 1 545 . 1 1 61 61 ASP HB3 H 1 1.731 0.008 . 1 . . . . 60 . . . 6193 1 546 . 1 1 62 62 GLN H H 1 9.279 0.003 . 1 . . . . 61 . . . 6193 1 547 . 1 1 62 62 GLN N N 15 122.996 0.032 . 1 . . . . 61 . . . 6193 1 548 . 1 1 62 62 GLN CA C 13 50.821 0.065 . 1 . . . . 61 . . . 6193 1 549 . 1 1 62 62 GLN HA H 1 4.380 0.004 . 1 . . . . 61 . . . 6193 1 550 . 1 1 62 62 GLN C C 13 174.156 0.001 . 1 . . . . 61 . . . 6193 1 551 . 1 1 62 62 GLN CB C 13 26.566 0.05 . 1 . . . . 61 . . . 6193 1 552 . 1 1 62 62 GLN HB2 H 1 1.677 0.001 . 1 . . . . 61 . . . 6193 1 553 . 1 1 62 62 GLN HB3 H 1 1.395 0.003 . 1 . . . . 61 . . . 6193 1 554 . 1 1 62 62 GLN CG C 13 30.550 0.05 . 1 . . . . 61 . . . 6193 1 555 . 1 1 62 62 GLN HG2 H 1 1.480 0.015 . 1 . . . . 61 . . . 6193 1 556 . 1 1 62 62 GLN CD C 13 175.697 0.011 . 1 . . . . 61 . . . 6193 1 557 . 1 1 62 62 GLN NE2 N 15 108.074 0.016 . 1 . . . . 61 . . . 6193 1 558 . 1 1 62 62 GLN HE21 H 1 7.334 0.003 . 1 . . . . 61 . . . 6193 1 559 . 1 1 62 62 GLN HE22 H 1 6.721 0.002 . 1 . . . . 61 . . . 6193 1 560 . 1 1 63 63 ILE H H 1 8.421 0.002 . 1 . . . . 62 . . . 6193 1 561 . 1 1 63 63 ILE N N 15 124.692 0.043 . 1 . . . . 62 . . . 6193 1 562 . 1 1 63 63 ILE CA C 13 58.307 0.036 . 1 . . . . 62 . . . 6193 1 563 . 1 1 63 63 ILE HA H 1 3.754 0.004 . 1 . . . . 62 . . . 6193 1 564 . 1 1 63 63 ILE C C 13 171.653 0.003 . 1 . . . . 62 . . . 6193 1 565 . 1 1 63 63 ILE CB C 13 34.757 0.061 . 1 . . . . 62 . . . 6193 1 566 . 1 1 63 63 ILE HB H 1 1.392 0.001 . 1 . . . . 62 . . . 6193 1 567 . 1 1 63 63 ILE HG21 H 1 0.514 0.001 . 1 . . . . 62 . . . 6193 1 568 . 1 1 63 63 ILE HG22 H 1 0.514 0.001 . 1 . . . . 62 . . . 6193 1 569 . 1 1 63 63 ILE HG23 H 1 0.514 0.001 . 1 . . . . 62 . . . 6193 1 570 . 1 1 64 64 LEU H H 1 9.157 0.003 . 1 . . . . 63 . . . 6193 1 571 . 1 1 64 64 LEU N N 15 127.791 0.025 . 1 . . . . 63 . . . 6193 1 572 . 1 1 64 64 LEU CA C 13 53.416 0.051 . 1 . . . . 63 . . . 6193 1 573 . 1 1 64 64 LEU HA H 1 4.032 0.005 . 1 . . . . 63 . . . 6193 1 574 . 1 1 64 64 LEU C C 13 174.952 0.002 . 1 . . . . 63 . . . 6193 1 575 . 1 1 64 64 LEU CB C 13 38.383 0.05 . 1 . . . . 63 . . . 6193 1 576 . 1 1 64 64 LEU HB2 H 1 1.453 0.002 . 1 . . . . 63 . . . 6193 1 577 . 1 1 64 64 LEU HB3 H 1 1.179 0.015 . 1 . . . . 63 . . . 6193 1 578 . 1 1 64 64 LEU HD11 H 1 0.678 0.015 . 1 . . . . 63 . . . 6193 1 579 . 1 1 64 64 LEU HD12 H 1 0.678 0.015 . 1 . . . . 63 . . . 6193 1 580 . 1 1 64 64 LEU HD13 H 1 0.678 0.015 . 1 . . . . 63 . . . 6193 1 581 . 1 1 64 64 LEU HD21 H 1 0.494 0.015 . 1 . . . . 63 . . . 6193 1 582 . 1 1 64 64 LEU HD22 H 1 0.494 0.015 . 1 . . . . 63 . . . 6193 1 583 . 1 1 64 64 LEU HD23 H 1 0.494 0.015 . 1 . . . . 63 . . . 6193 1 584 . 1 1 64 64 LEU HG H 1 1.396 0.015 . 1 . . . . 63 . . . 6193 1 585 . 1 1 65 65 SER H H 1 7.497 0.003 . 1 . . . . 64 . . . 6193 1 586 . 1 1 65 65 SER N N 15 108.400 0.036 . 1 . . . . 64 . . . 6193 1 587 . 1 1 65 65 SER CA C 13 54.260 0.044 . 1 . . . . 64 . . . 6193 1 588 . 1 1 65 65 SER HA H 1 5.028 0.004 . 1 . . . . 64 . . . 6193 1 589 . 1 1 65 65 SER C C 13 170.193 0.009 . 1 . . . . 64 . . . 6193 1 590 . 1 1 65 65 SER CB C 13 62.441 0.032 . 1 . . . . 64 . . . 6193 1 591 . 1 1 65 65 SER HB2 H 1 3.641 0.003 . 1 . . . . 64 . . . 6193 1 592 . 1 1 65 65 SER HB3 H 1 3.186 0.008 . 1 . . . . 64 . . . 6193 1 593 . 1 1 66 66 VAL H H 1 7.903 0.002 . 1 . . . . 65 . . . 6193 1 594 . 1 1 66 66 VAL N N 15 117.994 0.025 . 1 . . . . 65 . . . 6193 1 595 . 1 1 66 66 VAL CA C 13 57.460 0.027 . 1 . . . . 65 . . . 6193 1 596 . 1 1 66 66 VAL HA H 1 4.500 0.001 . 1 . . . . 65 . . . 6193 1 597 . 1 1 66 66 VAL C C 13 171.638 0.002 . 1 . . . . 65 . . . 6193 1 598 . 1 1 66 66 VAL CB C 13 32.084 0.05 . 1 . . . . 65 . . . 6193 1 599 . 1 1 66 66 VAL HB H 1 1.543 0.002 . 1 . . . . 65 . . . 6193 1 600 . 1 1 66 66 VAL HG11 H 1 0.631 0.015 . 1 . . . . 65 . . . 6193 1 601 . 1 1 66 66 VAL HG12 H 1 0.631 0.015 . 1 . . . . 65 . . . 6193 1 602 . 1 1 66 66 VAL HG13 H 1 0.631 0.015 . 1 . . . . 65 . . . 6193 1 603 . 1 1 67 67 ASN H H 1 9.765 0.001 . 1 . . . . 66 . . . 6193 1 604 . 1 1 67 67 ASN N N 15 128.635 0.025 . 1 . . . . 66 . . . 6193 1 605 . 1 1 67 67 ASN CA C 13 51.240 0.049 . 1 . . . . 66 . . . 6193 1 606 . 1 1 67 67 ASN HA H 1 4.287 0.003 . 1 . . . . 66 . . . 6193 1 607 . 1 1 67 67 ASN C C 13 172.099 0.002 . 1 . . . . 66 . . . 6193 1 608 . 1 1 67 67 ASN CB C 13 33.239 0.029 . 1 . . . . 66 . . . 6193 1 609 . 1 1 67 67 ASN HB2 H 1 3.095 0.010 . 1 . . . . 66 . . . 6193 1 610 . 1 1 67 67 ASN HB3 H 1 2.835 0.002 . 1 . . . . 66 . . . 6193 1 611 . 1 1 67 67 ASN CG C 13 173.851 0.018 . 1 . . . . 66 . . . 6193 1 612 . 1 1 67 67 ASN ND2 N 15 110.872 0.025 . 1 . . . . 66 . . . 6193 1 613 . 1 1 67 67 ASN HD21 H 1 7.677 0.003 . 1 . . . . 66 . . . 6193 1 614 . 1 1 67 67 ASN HD22 H 1 6.733 0.005 . 1 . . . . 66 . . . 6193 1 615 . 1 1 68 68 GLY H H 1 8.413 0.002 . 1 . . . . 67 . . . 6193 1 616 . 1 1 68 68 GLY N N 15 102.138 0.04 . 1 . . . . 67 . . . 6193 1 617 . 1 1 68 68 GLY CA C 13 42.419 0.023 . 1 . . . . 67 . . . 6193 1 618 . 1 1 68 68 GLY HA2 H 1 4.010 0.003 . 1 . . . . 67 . . . 6193 1 619 . 1 1 68 68 GLY HA3 H 1 3.392 0.003 . 1 . . . . 67 . . . 6193 1 620 . 1 1 68 68 GLY C C 13 171.066 0.006 . 1 . . . . 67 . . . 6193 1 621 . 1 1 69 69 VAL H H 1 8.133 0.002 . 1 . . . . 68 . . . 6193 1 622 . 1 1 69 69 VAL N N 15 123.812 0.019 . 1 . . . . 68 . . . 6193 1 623 . 1 1 69 69 VAL CA C 13 59.824 0.038 . 1 . . . . 68 . . . 6193 1 624 . 1 1 69 69 VAL HA H 1 3.764 0.001 . 1 . . . . 68 . . . 6193 1 625 . 1 1 69 69 VAL C C 13 172.332 0.002 . 1 . . . . 68 . . . 6193 1 626 . 1 1 69 69 VAL CB C 13 28.864 0.05 . 1 . . . . 68 . . . 6193 1 627 . 1 1 69 69 VAL HB H 1 2.092 0.002 . 1 . . . . 68 . . . 6193 1 628 . 1 1 69 69 VAL HG11 H 1 0.830 0.015 . 1 . . . . 68 . . . 6193 1 629 . 1 1 69 69 VAL HG12 H 1 0.830 0.015 . 1 . . . . 68 . . . 6193 1 630 . 1 1 69 69 VAL HG13 H 1 0.830 0.015 . 1 . . . . 68 . . . 6193 1 631 . 1 1 69 69 VAL HG21 H 1 0.683 0.015 . 1 . . . . 68 . . . 6193 1 632 . 1 1 69 69 VAL HG22 H 1 0.683 0.015 . 1 . . . . 68 . . . 6193 1 633 . 1 1 69 69 VAL HG23 H 1 0.683 0.015 . 1 . . . . 68 . . . 6193 1 634 . 1 1 70 70 ASP H H 1 8.452 0.002 . 1 . . . . 69 . . . 6193 1 635 . 1 1 70 70 ASP N N 15 127.017 0.036 . 1 . . . . 69 . . . 6193 1 636 . 1 1 70 70 ASP CA C 13 52.262 0.018 . 1 . . . . 69 . . . 6193 1 637 . 1 1 70 70 ASP HA H 1 4.212 0.002 . 1 . . . . 69 . . . 6193 1 638 . 1 1 70 70 ASP C C 13 174.002 0.004 . 1 . . . . 69 . . . 6193 1 639 . 1 1 70 70 ASP CB C 13 38.674 0.028 . 1 . . . . 69 . . . 6193 1 640 . 1 1 70 70 ASP HB2 H 1 2.688 0.001 . 1 . . . . 69 . . . 6193 1 641 . 1 1 70 70 ASP HB3 H 1 2.636 0.002 . 1 . . . . 69 . . . 6193 1 642 . 1 1 71 71 LEU H H 1 8.782 0.002 . 1 . . . . 70 . . . 6193 1 643 . 1 1 71 71 LEU N N 15 127.161 0.018 . 1 . . . . 70 . . . 6193 1 644 . 1 1 71 71 LEU CA C 13 50.483 0.064 . 1 . . . . 70 . . . 6193 1 645 . 1 1 71 71 LEU HA H 1 4.507 0.008 . 1 . . . . 70 . . . 6193 1 646 . 1 1 71 71 LEU C C 13 176.235 0.002 . 1 . . . . 70 . . . 6193 1 647 . 1 1 71 71 LEU CB C 13 40.122 0.05 . 1 . . . . 70 . . . 6193 1 648 . 1 1 71 71 LEU HB2 H 1 1.556 0.004 . 1 . . . . 70 . . . 6193 1 649 . 1 1 71 71 LEU HB3 H 1 1.069 0.001 . 1 . . . . 70 . . . 6193 1 650 . 1 1 71 71 LEU HD11 H 1 0.554 0.015 . 1 . . . . 70 . . . 6193 1 651 . 1 1 71 71 LEU HD12 H 1 0.554 0.015 . 1 . . . . 70 . . . 6193 1 652 . 1 1 71 71 LEU HD13 H 1 0.554 0.015 . 1 . . . . 70 . . . 6193 1 653 . 1 1 71 71 LEU HD21 H 1 0.475 0.015 . 1 . . . . 70 . . . 6193 1 654 . 1 1 71 71 LEU HD22 H 1 0.475 0.015 . 1 . . . . 70 . . . 6193 1 655 . 1 1 71 71 LEU HD23 H 1 0.475 0.015 . 1 . . . . 70 . . . 6193 1 656 . 1 1 71 71 LEU HG H 1 1.087 0.015 . 1 . . . . 70 . . . 6193 1 657 . 1 1 72 72 ARG H H 1 8.644 0.002 . 1 . . . . 71 . . . 6193 1 658 . 1 1 72 72 ARG N N 15 124.313 0.025 . 1 . . . . 71 . . . 6193 1 659 . 1 1 72 72 ARG CA C 13 58.213 0.046 . 1 . . . . 71 . . . 6193 1 660 . 1 1 72 72 ARG HA H 1 3.773 0.006 . 1 . . . . 71 . . . 6193 1 661 . 1 1 72 72 ARG C C 13 172.705 0.05 . 1 . . . . 71 . . . 6193 1 662 . 1 1 72 72 ARG CB C 13 27.098 0.024 . 1 . . . . 71 . . . 6193 1 663 . 1 1 72 72 ARG HB2 H 1 1.794 0.015 . 1 . . . . 71 . . . 6193 1 664 . 1 1 72 72 ARG HB3 H 1 1.655 0.015 . 1 . . . . 71 . . . 6193 1 665 . 1 1 72 72 ARG CG C 13 26.023 0.05 . 1 . . . . 71 . . . 6193 1 666 . 1 1 72 72 ARG HG2 H 1 1.439 0.015 . 1 . . . . 71 . . . 6193 1 667 . 1 1 72 72 ARG CD C 13 40.599 0.020 . 1 . . . . 71 . . . 6193 1 668 . 1 1 72 72 ARG HD2 H 1 3.117 0.003 . 1 . . . . 71 . . . 6193 1 669 . 1 1 72 72 ARG NE N 15 84.028 0.04 . 1 . . . . 71 . . . 6193 1 670 . 1 1 72 72 ARG HE H 1 7.765 0.004 . 1 . . . . 71 . . . 6193 1 671 . 1 1 73 73 ASN H H 1 8.388 0.004 . 1 . . . . 72 . . . 6193 1 672 . 1 1 73 73 ASN N N 15 113.471 0.035 . 1 . . . . 72 . . . 6193 1 673 . 1 1 73 73 ASN CA C 13 48.965 0.037 . 1 . . . . 72 . . . 6193 1 674 . 1 1 73 73 ASN HA H 1 4.847 0.003 . 1 . . . . 72 . . . 6193 1 675 . 1 1 73 73 ASN C C 13 171.780 0.003 . 1 . . . . 72 . . . 6193 1 676 . 1 1 73 73 ASN CB C 13 36.518 0.030 . 1 . . . . 72 . . . 6193 1 677 . 1 1 73 73 ASN HB2 H 1 2.816 0.002 . 1 . . . . 72 . . . 6193 1 678 . 1 1 73 73 ASN HB3 H 1 2.313 0.003 . 1 . . . . 72 . . . 6193 1 679 . 1 1 73 73 ASN CG C 13 174.873 0.010 . 1 . . . . 72 . . . 6193 1 680 . 1 1 73 73 ASN ND2 N 15 111.645 0.029 . 1 . . . . 72 . . . 6193 1 681 . 1 1 73 73 ASN HD21 H 1 7.491 0.003 . 1 . . . . 72 . . . 6193 1 682 . 1 1 73 73 ASN HD22 H 1 6.702 0.003 . 1 . . . . 72 . . . 6193 1 683 . 1 1 74 74 ALA H H 1 6.678 0.001 . 1 . . . . 73 . . . 6193 1 684 . 1 1 74 74 ALA N N 15 121.673 0.031 . 1 . . . . 73 . . . 6193 1 685 . 1 1 74 74 ALA CA C 13 49.162 0.027 . 1 . . . . 73 . . . 6193 1 686 . 1 1 74 74 ALA HA H 1 4.255 0.015 . 1 . . . . 73 . . . 6193 1 687 . 1 1 74 74 ALA C C 13 174.218 0.005 . 1 . . . . 73 . . . 6193 1 688 . 1 1 74 74 ALA CB C 13 18.111 0.05 . 1 . . . . 73 . . . 6193 1 689 . 1 1 74 74 ALA HB1 H 1 1.273 0.015 . 1 . . . . 73 . . . 6193 1 690 . 1 1 74 74 ALA HB2 H 1 1.273 0.015 . 1 . . . . 73 . . . 6193 1 691 . 1 1 74 74 ALA HB3 H 1 1.273 0.015 . 1 . . . . 73 . . . 6193 1 692 . 1 1 75 75 SER H H 1 8.141 0.001 . 1 . . . . 74 . . . 6193 1 693 . 1 1 75 75 SER N N 15 113.694 0.019 . 1 . . . . 74 . . . 6193 1 694 . 1 1 75 75 SER CA C 13 53.640 0.063 . 1 . . . . 74 . . . 6193 1 695 . 1 1 75 75 SER HA H 1 4.900 0.006 . 1 . . . . 74 . . . 6193 1 696 . 1 1 75 75 SER C C 13 172.502 0.05 . 1 . . . . 74 . . . 6193 1 697 . 1 1 75 75 SER CB C 13 62.761 0.069 . 1 . . . . 74 . . . 6193 1 698 . 1 1 75 75 SER HB2 H 1 4.351 0.005 . 1 . . . . 74 . . . 6193 1 699 . 1 1 75 75 SER HB3 H 1 3.928 0.007 . 1 . . . . 74 . . . 6193 1 700 . 1 1 76 76 HIS H H 1 8.902 0.005 . 1 . . . . 75 . . . 6193 1 701 . 1 1 76 76 HIS N N 15 120.840 0.025 . 1 . . . . 75 . . . 6193 1 702 . 1 1 76 76 HIS CA C 13 58.514 0.036 . 1 . . . . 75 . . . 6193 1 703 . 1 1 76 76 HIS HA H 1 3.706 0.009 . 1 . . . . 75 . . . 6193 1 704 . 1 1 76 76 HIS C C 13 174.260 0.001 . 1 . . . . 75 . . . 6193 1 705 . 1 1 76 76 HIS CB C 13 26.770 0.026 . 1 . . . . 75 . . . 6193 1 706 . 1 1 76 76 HIS HB2 H 1 3.317 0.003 . 1 . . . . 75 . . . 6193 1 707 . 1 1 76 76 HIS HB3 H 1 3.031 0.007 . 1 . . . . 75 . . . 6193 1 708 . 1 1 77 77 GLU H H 1 8.578 0.006 . 1 . . . . 76 . . . 6193 1 709 . 1 1 77 77 GLU N N 15 116.943 0.029 . 1 . . . . 76 . . . 6193 1 710 . 1 1 77 77 GLU CA C 13 56.812 0.148 . 1 . . . . 76 . . . 6193 1 711 . 1 1 77 77 GLU HA H 1 3.929 0.005 . 1 . . . . 76 . . . 6193 1 712 . 1 1 77 77 GLU C C 13 176.033 0.007 . 1 . . . . 76 . . . 6193 1 713 . 1 1 77 77 GLU CB C 13 26.755 0.05 . 1 . . . . 76 . . . 6193 1 714 . 1 1 77 77 GLU HB2 H 1 1.972 0.006 . 1 . . . . 76 . . . 6193 1 715 . 1 1 77 77 GLU HB3 H 1 1.797 0.007 . 1 . . . . 76 . . . 6193 1 716 . 1 1 77 77 GLU HG2 H 1 2.162 0.002 . 1 . . . . 76 . . . 6193 1 717 . 1 1 78 78 GLN H H 1 7.612 0.004 . 1 . . . . 77 . . . 6193 1 718 . 1 1 78 78 GLN N N 15 116.959 0.025 . 1 . . . . 77 . . . 6193 1 719 . 1 1 78 78 GLN CA C 13 55.817 0.055 . 1 . . . . 77 . . . 6193 1 720 . 1 1 78 78 GLN HA H 1 3.775 0.005 . 1 . . . . 77 . . . 6193 1 721 . 1 1 78 78 GLN C C 13 176.861 0.001 . 1 . . . . 77 . . . 6193 1 722 . 1 1 78 78 GLN CB C 13 25.797 0.05 . 1 . . . . 77 . . . 6193 1 723 . 1 1 78 78 GLN HB2 H 1 2.060 0.178 . 1 . . . . 77 . . . 6193 1 724 . 1 1 78 78 GLN HB3 H 1 1.785 0.015 . 1 . . . . 77 . . . 6193 1 725 . 1 1 78 78 GLN CG C 13 31.325 0.007 . 1 . . . . 77 . . . 6193 1 726 . 1 1 78 78 GLN HG2 H 1 2.340 0.004 . 1 . . . . 77 . . . 6193 1 727 . 1 1 78 78 GLN HG3 H 1 2.229 0.015 . 1 . . . . 77 . . . 6193 1 728 . 1 1 78 78 GLN CD C 13 177.163 0.007 . 1 . . . . 77 . . . 6193 1 729 . 1 1 78 78 GLN NE2 N 15 110.892 0.022 . 1 . . . . 77 . . . 6193 1 730 . 1 1 78 78 GLN HE21 H 1 7.392 0.003 . 1 . . . . 77 . . . 6193 1 731 . 1 1 78 78 GLN HE22 H 1 6.767 0.003 . 1 . . . . 77 . . . 6193 1 732 . 1 1 79 79 ALA H H 1 8.257 0.002 . 1 . . . . 78 . . . 6193 1 733 . 1 1 79 79 ALA N N 15 121.872 0.016 . 1 . . . . 78 . . . 6193 1 734 . 1 1 79 79 ALA CA C 13 51.986 0.027 . 1 . . . . 78 . . . 6193 1 735 . 1 1 79 79 ALA HA H 1 3.823 0.003 . 1 . . . . 78 . . . 6193 1 736 . 1 1 79 79 ALA C C 13 175.101 0.05 . 1 . . . . 78 . . . 6193 1 737 . 1 1 79 79 ALA CB C 13 16.510 0.05 . 1 . . . . 78 . . . 6193 1 738 . 1 1 79 79 ALA HB1 H 1 1.178 0.002 . 1 . . . . 78 . . . 6193 1 739 . 1 1 79 79 ALA HB2 H 1 1.178 0.002 . 1 . . . . 78 . . . 6193 1 740 . 1 1 79 79 ALA HB3 H 1 1.178 0.002 . 1 . . . . 78 . . . 6193 1 741 . 1 1 80 80 ALA H H 1 8.511 0.007 . 1 . . . . 79 . . . 6193 1 742 . 1 1 80 80 ALA N N 15 119.759 0.018 . 1 . . . . 79 . . . 6193 1 743 . 1 1 80 80 ALA CA C 13 52.557 0.028 . 1 . . . . 79 . . . 6193 1 744 . 1 1 80 80 ALA HA H 1 3.795 0.005 . 1 . . . . 79 . . . 6193 1 745 . 1 1 80 80 ALA C C 13 178.815 0.002 . 1 . . . . 79 . . . 6193 1 746 . 1 1 80 80 ALA CB C 13 14.844 0.05 . 1 . . . . 79 . . . 6193 1 747 . 1 1 80 80 ALA HB1 H 1 1.289 0.005 . 1 . . . . 79 . . . 6193 1 748 . 1 1 80 80 ALA HB2 H 1 1.289 0.005 . 1 . . . . 79 . . . 6193 1 749 . 1 1 80 80 ALA HB3 H 1 1.289 0.005 . 1 . . . . 79 . . . 6193 1 750 . 1 1 81 81 ILE H H 1 8.035 0.003 . 1 . . . . 80 . . . 6193 1 751 . 1 1 81 81 ILE N N 15 119.541 0.028 . 1 . . . . 80 . . . 6193 1 752 . 1 1 81 81 ILE CA C 13 61.852 0.013 . 1 . . . . 80 . . . 6193 1 753 . 1 1 81 81 ILE HA H 1 3.524 0.003 . 1 . . . . 80 . . . 6193 1 754 . 1 1 81 81 ILE C C 13 174.606 0.003 . 1 . . . . 80 . . . 6193 1 755 . 1 1 81 81 ILE CB C 13 35.223 0.05 . 1 . . . . 80 . . . 6193 1 756 . 1 1 81 81 ILE HB H 1 1.702 0.005 . 1 . . . . 80 . . . 6193 1 757 . 1 1 81 81 ILE HG21 H 1 0.760 0.015 . 1 . . . . 80 . . . 6193 1 758 . 1 1 81 81 ILE HG22 H 1 0.760 0.015 . 1 . . . . 80 . . . 6193 1 759 . 1 1 81 81 ILE HG23 H 1 0.760 0.015 . 1 . . . . 80 . . . 6193 1 760 . 1 1 82 82 ALA H H 1 7.767 0.002 . 1 . . . . 81 . . . 6193 1 761 . 1 1 82 82 ALA N N 15 122.227 0.016 . 1 . . . . 81 . . . 6193 1 762 . 1 1 82 82 ALA CA C 13 52.164 0.025 . 1 . . . . 81 . . . 6193 1 763 . 1 1 82 82 ALA HA H 1 3.948 0.001 . 1 . . . . 81 . . . 6193 1 764 . 1 1 82 82 ALA C C 13 178.298 0.003 . 1 . . . . 81 . . . 6193 1 765 . 1 1 82 82 ALA CB C 13 14.824 0.05 . 1 . . . . 81 . . . 6193 1 766 . 1 1 82 82 ALA HB1 H 1 1.294 0.001 . 1 . . . . 81 . . . 6193 1 767 . 1 1 82 82 ALA HB2 H 1 1.294 0.001 . 1 . . . . 81 . . . 6193 1 768 . 1 1 82 82 ALA HB3 H 1 1.294 0.001 . 1 . . . . 81 . . . 6193 1 769 . 1 1 83 83 LEU H H 1 8.123 0.002 . 1 . . . . 82 . . . 6193 1 770 . 1 1 83 83 LEU N N 15 115.655 0.010 . 1 . . . . 82 . . . 6193 1 771 . 1 1 83 83 LEU CA C 13 55.236 0.044 . 1 . . . . 82 . . . 6193 1 772 . 1 1 83 83 LEU HA H 1 3.716 0.001 . 1 . . . . 82 . . . 6193 1 773 . 1 1 83 83 LEU C C 13 175.900 0.003 . 1 . . . . 82 . . . 6193 1 774 . 1 1 83 83 LEU CB C 13 38.573 0.05 . 1 . . . . 82 . . . 6193 1 775 . 1 1 83 83 LEU HB2 H 1 1.757 0.001 . 1 . . . . 82 . . . 6193 1 776 . 1 1 83 83 LEU HB3 H 1 1.193 0.015 . 1 . . . . 82 . . . 6193 1 777 . 1 1 83 83 LEU HG H 1 1.584 0.015 . 1 . . . . 82 . . . 6193 1 778 . 1 1 84 84 LYS H H 1 7.867 0.001 . 1 . . . . 83 . . . 6193 1 779 . 1 1 84 84 LYS N N 15 120.762 0.012 . 1 . . . . 83 . . . 6193 1 780 . 1 1 84 84 LYS CA C 13 56.472 0.037 . 1 . . . . 83 . . . 6193 1 781 . 1 1 84 84 LYS HA H 1 3.923 0.002 . 1 . . . . 83 . . . 6193 1 782 . 1 1 84 84 LYS C C 13 175.673 0.002 . 1 . . . . 83 . . . 6193 1 783 . 1 1 84 84 LYS CB C 13 29.553 0.05 . 1 . . . . 83 . . . 6193 1 784 . 1 1 84 84 LYS HB2 H 1 1.781 0.001 . 1 . . . . 83 . . . 6193 1 785 . 1 1 84 84 LYS HG2 H 1 1.311 0.015 . 1 . . . . 83 . . . 6193 1 786 . 1 1 85 85 ASN H H 1 7.886 0.002 . 1 . . . . 84 . . . 6193 1 787 . 1 1 85 85 ASN N N 15 114.849 0.022 . 1 . . . . 84 . . . 6193 1 788 . 1 1 85 85 ASN CA C 13 50.539 0.036 . 1 . . . . 84 . . . 6193 1 789 . 1 1 85 85 ASN HA H 1 4.581 0.002 . 1 . . . . 84 . . . 6193 1 790 . 1 1 85 85 ASN C C 13 172.896 0.001 . 1 . . . . 84 . . . 6193 1 791 . 1 1 85 85 ASN CB C 13 35.561 0.044 . 1 . . . . 84 . . . 6193 1 792 . 1 1 85 85 ASN HB2 H 1 2.897 0.005 . 1 . . . . 84 . . . 6193 1 793 . 1 1 85 85 ASN HB3 H 1 2.612 0.015 . 1 . . . . 84 . . . 6193 1 794 . 1 1 85 85 ASN CG C 13 173.809 0.013 . 1 . . . . 84 . . . 6193 1 795 . 1 1 85 85 ASN ND2 N 15 111.674 0.019 . 1 . . . . 84 . . . 6193 1 796 . 1 1 85 85 ASN HD21 H 1 7.391 0.003 . 1 . . . . 84 . . . 6193 1 797 . 1 1 85 85 ASN HD22 H 1 6.846 0.005 . 1 . . . . 84 . . . 6193 1 798 . 1 1 86 86 ALA H H 1 6.867 0.003 . 1 . . . . 85 . . . 6193 1 799 . 1 1 86 86 ALA N N 15 120.053 0.024 . 1 . . . . 85 . . . 6193 1 800 . 1 1 86 86 ALA CA C 13 50.615 0.022 . 1 . . . . 85 . . . 6193 1 801 . 1 1 86 86 ALA HA H 1 4.059 0.001 . 1 . . . . 85 . . . 6193 1 802 . 1 1 86 86 ALA C C 13 173.302 0.006 . 1 . . . . 85 . . . 6193 1 803 . 1 1 86 86 ALA CB C 13 17.376 0.05 . 1 . . . . 85 . . . 6193 1 804 . 1 1 86 86 ALA HB1 H 1 1.345 0.003 . 1 . . . . 85 . . . 6193 1 805 . 1 1 86 86 ALA HB2 H 1 1.345 0.003 . 1 . . . . 85 . . . 6193 1 806 . 1 1 86 86 ALA HB3 H 1 1.345 0.003 . 1 . . . . 85 . . . 6193 1 807 . 1 1 87 87 GLY H H 1 7.886 0.002 . 1 . . . . 86 . . . 6193 1 808 . 1 1 87 87 GLY N N 15 103.677 0.04 . 1 . . . . 86 . . . 6193 1 809 . 1 1 87 87 GLY CA C 13 41.538 0.027 . 1 . . . . 86 . . . 6193 1 810 . 1 1 87 87 GLY HA2 H 1 4.089 0.005 . 1 . . . . 86 . . . 6193 1 811 . 1 1 87 87 GLY HA3 H 1 3.625 0.002 . 1 . . . . 86 . . . 6193 1 812 . 1 1 87 87 GLY C C 13 172.213 0.003 . 1 . . . . 86 . . . 6193 1 813 . 1 1 88 88 GLN H H 1 8.554 0.006 . 1 . . . . 87 . . . 6193 1 814 . 1 1 88 88 GLN N N 15 118.230 0.022 . 1 . . . . 87 . . . 6193 1 815 . 1 1 88 88 GLN CA C 13 55.375 0.027 . 1 . . . . 87 . . . 6193 1 816 . 1 1 88 88 GLN HA H 1 3.988 0.005 . 1 . . . . 87 . . . 6193 1 817 . 1 1 88 88 GLN C C 13 173.159 0.004 . 1 . . . . 87 . . . 6193 1 818 . 1 1 88 88 GLN CB C 13 26.713 0.05 . 1 . . . . 87 . . . 6193 1 819 . 1 1 88 88 GLN HB2 H 1 2.080 0.001 . 1 . . . . 87 . . . 6193 1 820 . 1 1 88 88 GLN HB3 H 1 1.998 0.015 . 1 . . . . 87 . . . 6193 1 821 . 1 1 88 88 GLN CG C 13 31.240 0.004 . 1 . . . . 87 . . . 6193 1 822 . 1 1 88 88 GLN CD C 13 177.468 0.010 . 1 . . . . 87 . . . 6193 1 823 . 1 1 88 88 GLN NE2 N 15 111.705 0.008 . 1 . . . . 87 . . . 6193 1 824 . 1 1 88 88 GLN HE21 H 1 7.441 0.003 . 1 . . . . 87 . . . 6193 1 825 . 1 1 88 88 GLN HE22 H 1 6.848 0.004 . 1 . . . . 87 . . . 6193 1 826 . 1 1 89 89 THR H H 1 7.750 0.003 . 1 . . . . 88 . . . 6193 1 827 . 1 1 89 89 THR N N 15 114.601 0.022 . 1 . . . . 88 . . . 6193 1 828 . 1 1 89 89 THR CA C 13 59.418 0.046 . 1 . . . . 88 . . . 6193 1 829 . 1 1 89 89 THR HA H 1 4.482 0.003 . 1 . . . . 88 . . . 6193 1 830 . 1 1 89 89 THR C C 13 170.633 0.05 . 1 . . . . 88 . . . 6193 1 831 . 1 1 89 89 THR CB C 13 66.734 0.074 . 1 . . . . 88 . . . 6193 1 832 . 1 1 89 89 THR HB H 1 3.762 0.005 . 1 . . . . 88 . . . 6193 1 833 . 1 1 89 89 THR HG21 H 1 0.780 0.015 . 1 . . . . 88 . . . 6193 1 834 . 1 1 89 89 THR HG22 H 1 0.780 0.015 . 1 . . . . 88 . . . 6193 1 835 . 1 1 89 89 THR HG23 H 1 0.780 0.015 . 1 . . . . 88 . . . 6193 1 836 . 1 1 90 90 VAL H H 1 9.002 0.005 . 1 . . . . 89 . . . 6193 1 837 . 1 1 90 90 VAL N N 15 128.268 0.026 . 1 . . . . 89 . . . 6193 1 838 . 1 1 90 90 VAL CA C 13 58.750 0.017 . 1 . . . . 89 . . . 6193 1 839 . 1 1 90 90 VAL HA H 1 4.279 0.001 . 1 . . . . 89 . . . 6193 1 840 . 1 1 90 90 VAL C C 13 171.147 0.001 . 1 . . . . 89 . . . 6193 1 841 . 1 1 90 90 VAL CB C 13 30.731 0.05 . 1 . . . . 89 . . . 6193 1 842 . 1 1 90 90 VAL HB H 1 1.851 0.002 . 1 . . . . 89 . . . 6193 1 843 . 1 1 90 90 VAL HG11 H 1 0.641 0.015 . 1 . . . . 89 . . . 6193 1 844 . 1 1 90 90 VAL HG12 H 1 0.641 0.015 . 1 . . . . 89 . . . 6193 1 845 . 1 1 90 90 VAL HG13 H 1 0.641 0.015 . 1 . . . . 89 . . . 6193 1 846 . 1 1 91 91 THR H H 1 9.041 0.002 . 1 . . . . 90 . . . 6193 1 847 . 1 1 91 91 THR N N 15 123.152 0.026 . 1 . . . . 90 . . . 6193 1 848 . 1 1 91 91 THR CA C 13 59.456 0.034 . 1 . . . . 90 . . . 6193 1 849 . 1 1 91 91 THR HA H 1 4.677 0.001 . 1 . . . . 90 . . . 6193 1 850 . 1 1 91 91 THR C C 13 171.789 0.001 . 1 . . . . 90 . . . 6193 1 851 . 1 1 91 91 THR CB C 13 65.578 0.052 . 1 . . . . 90 . . . 6193 1 852 . 1 1 91 91 THR HB H 1 3.921 0.003 . 1 . . . . 90 . . . 6193 1 853 . 1 1 91 91 THR HG21 H 1 0.834 0.003 . 1 . . . . 90 . . . 6193 1 854 . 1 1 91 91 THR HG22 H 1 0.834 0.003 . 1 . . . . 90 . . . 6193 1 855 . 1 1 91 91 THR HG23 H 1 0.834 0.003 . 1 . . . . 90 . . . 6193 1 856 . 1 1 92 92 ILE H H 1 9.801 0.003 . 1 . . . . 91 . . . 6193 1 857 . 1 1 92 92 ILE N N 15 132.333 0.04 . 1 . . . . 91 . . . 6193 1 858 . 1 1 92 92 ILE CA C 13 56.704 0.061 . 1 . . . . 91 . . . 6193 1 859 . 1 1 92 92 ILE HA H 1 4.573 0.006 . 1 . . . . 91 . . . 6193 1 860 . 1 1 92 92 ILE C C 13 171.812 0.006 . 1 . . . . 91 . . . 6193 1 861 . 1 1 92 92 ILE CB C 13 39.044 0.05 . 1 . . . . 91 . . . 6193 1 862 . 1 1 92 92 ILE HB H 1 1.580 0.002 . 1 . . . . 91 . . . 6193 1 863 . 1 1 92 92 ILE HG21 H 1 0.638 0.001 . 1 . . . . 91 . . . 6193 1 864 . 1 1 92 92 ILE HG22 H 1 0.638 0.001 . 1 . . . . 91 . . . 6193 1 865 . 1 1 92 92 ILE HG23 H 1 0.638 0.001 . 1 . . . . 91 . . . 6193 1 866 . 1 1 93 93 ILE H H 1 7.745 0.004 . 1 . . . . 92 . . . 6193 1 867 . 1 1 93 93 ILE N N 15 124.951 0.015 . 1 . . . . 92 . . . 6193 1 868 . 1 1 93 93 ILE CA C 13 56.312 0.046 . 1 . . . . 92 . . . 6193 1 869 . 1 1 93 93 ILE HA H 1 5.051 0.002 . 1 . . . . 92 . . . 6193 1 870 . 1 1 93 93 ILE C C 13 172.246 0.004 . 1 . . . . 92 . . . 6193 1 871 . 1 1 93 93 ILE CB C 13 32.850 0.05 . 1 . . . . 92 . . . 6193 1 872 . 1 1 93 93 ILE HB H 1 1.828 0.001 . 1 . . . . 92 . . . 6193 1 873 . 1 1 93 93 ILE HG21 H 1 0.628 0.015 . 1 . . . . 92 . . . 6193 1 874 . 1 1 93 93 ILE HG22 H 1 0.628 0.015 . 1 . . . . 92 . . . 6193 1 875 . 1 1 93 93 ILE HG23 H 1 0.628 0.015 . 1 . . . . 92 . . . 6193 1 876 . 1 1 93 93 ILE HD11 H 1 0.549 0.015 . 1 . . . . 92 . . . 6193 1 877 . 1 1 93 93 ILE HD12 H 1 0.549 0.015 . 1 . . . . 92 . . . 6193 1 878 . 1 1 93 93 ILE HD13 H 1 0.549 0.015 . 1 . . . . 92 . . . 6193 1 879 . 1 1 94 94 ALA H H 1 8.849 0.003 . 1 . . . . 93 . . . 6193 1 880 . 1 1 94 94 ALA N N 15 129.934 0.017 . 1 . . . . 93 . . . 6193 1 881 . 1 1 94 94 ALA CA C 13 46.467 0.023 . 1 . . . . 93 . . . 6193 1 882 . 1 1 94 94 ALA HA H 1 5.378 0.001 . 1 . . . . 93 . . . 6193 1 883 . 1 1 94 94 ALA C C 13 172.387 0.001 . 1 . . . . 93 . . . 6193 1 884 . 1 1 94 94 ALA CB C 13 20.208 0.05 . 1 . . . . 93 . . . 6193 1 885 . 1 1 94 94 ALA HB1 H 1 0.825 0.002 . 1 . . . . 93 . . . 6193 1 886 . 1 1 94 94 ALA HB2 H 1 0.825 0.002 . 1 . . . . 93 . . . 6193 1 887 . 1 1 94 94 ALA HB3 H 1 0.825 0.002 . 1 . . . . 93 . . . 6193 1 888 . 1 1 95 95 GLN H H 1 8.752 0.003 . 1 . . . . 94 . . . 6193 1 889 . 1 1 95 95 GLN N N 15 118.761 0.074 . 1 . . . . 94 . . . 6193 1 890 . 1 1 95 95 GLN CA C 13 51.858 0.027 . 1 . . . . 94 . . . 6193 1 891 . 1 1 95 95 GLN HA H 1 4.314 0.015 . 1 . . . . 94 . . . 6193 1 892 . 1 1 95 95 GLN C C 13 170.865 0.001 . 1 . . . . 94 . . . 6193 1 893 . 1 1 95 95 GLN CB C 13 29.915 0.05 . 1 . . . . 94 . . . 6193 1 894 . 1 1 95 95 GLN HB2 H 1 1.693 0.015 . 1 . . . . 94 . . . 6193 1 895 . 1 1 95 95 GLN HB3 H 1 1.442 0.015 . 1 . . . . 94 . . . 6193 1 896 . 1 1 95 95 GLN HG2 H 1 2.014 0.015 . 1 . . . . 94 . . . 6193 1 897 . 1 1 95 95 GLN CD C 13 175.767 0.008 . 1 . . . . 94 . . . 6193 1 898 . 1 1 95 95 GLN NE2 N 15 109.417 0.021 . 1 . . . . 94 . . . 6193 1 899 . 1 1 95 95 GLN HE21 H 1 7.572 0.003 . 1 . . . . 94 . . . 6193 1 900 . 1 1 95 95 GLN HE22 H 1 6.792 0.003 . 1 . . . . 94 . . . 6193 1 901 . 1 1 96 96 TYR H H 1 9.038 0.002 . 1 . . . . 95 . . . 6193 1 902 . 1 1 96 96 TYR N N 15 130.473 0.034 . 1 . . . . 95 . . . 6193 1 903 . 1 1 96 96 TYR CA C 13 56.843 0.051 . 1 . . . . 95 . . . 6193 1 904 . 1 1 96 96 TYR HA H 1 4.953 0.002 . 1 . . . . 95 . . . 6193 1 905 . 1 1 96 96 TYR C C 13 172.250 0.002 . 1 . . . . 95 . . . 6193 1 906 . 1 1 96 96 TYR CB C 13 35.353 0.05 . 1 . . . . 95 . . . 6193 1 907 . 1 1 96 96 TYR HB2 H 1 2.912 0.001 . 1 . . . . 95 . . . 6193 1 908 . 1 1 96 96 TYR HB3 H 1 2.738 0.003 . 1 . . . . 95 . . . 6193 1 909 . 1 1 97 97 LYS H H 1 7.740 0.002 . 1 . . . . 96 . . . 6193 1 910 . 1 1 97 97 LYS N N 15 128.872 0.023 . 1 . . . . 96 . . . 6193 1 911 . 1 1 97 97 LYS CA C 13 51.496 0.111 . 1 . . . . 96 . . . 6193 1 912 . 1 1 97 97 LYS HA H 1 4.742 0.004 . 1 . . . . 96 . . . 6193 1 913 . 1 1 97 97 LYS HB2 H 1 1.863 0.003 . 1 . . . . 96 . . . 6193 1 914 . 1 1 97 97 LYS HE2 H 1 2.211 0.015 . 1 . . . . 96 . . . 6193 1 915 . 1 1 98 98 PRO CA C 13 62.271 0.060 . 1 . . . . 97 . . . 6193 1 916 . 1 1 98 98 PRO HA H 1 3.924 0.003 . 1 . . . . 97 . . . 6193 1 917 . 1 1 98 98 PRO C C 13 176.505 0.002 . 1 . . . . 97 . . . 6193 1 918 . 1 1 98 98 PRO CB C 13 28.276 0.05 . 1 . . . . 97 . . . 6193 1 919 . 1 1 98 98 PRO HB2 H 1 1.785 0.010 . 1 . . . . 97 . . . 6193 1 920 . 1 1 98 98 PRO HB3 H 1 1.685 0.005 . 1 . . . . 97 . . . 6193 1 921 . 1 1 99 99 GLU H H 1 8.603 0.015 . 1 . . . . 98 . . . 6193 1 922 . 1 1 99 99 GLU N N 15 119.340 0.04 . 1 . . . . 98 . . . 6193 1 923 . 1 1 99 99 GLU CA C 13 57.386 0.05 . 1 . . . . 98 . . . 6193 1 924 . 1 1 99 99 GLU HA H 1 3.918 0.001 . 1 . . . . 98 . . . 6193 1 925 . 1 1 99 99 GLU C C 13 176.534 0.008 . 1 . . . . 98 . . . 6193 1 926 . 1 1 99 99 GLU CB C 13 24.910 0.05 . 1 . . . . 98 . . . 6193 1 927 . 1 1 99 99 GLU HB2 H 1 1.934 0.003 . 1 . . . . 98 . . . 6193 1 928 . 1 1 99 99 GLU HB3 H 1 1.804 0.002 . 1 . . . . 98 . . . 6193 1 929 . 1 1 99 99 GLU HG3 H 1 2.103 0.015 . 1 . . . . 98 . . . 6193 1 930 . 1 1 100 100 GLU H H 1 8.322 0.003 . 1 . . . . 99 . . . 6193 1 931 . 1 1 100 100 GLU N N 15 121.728 0.050 . 1 . . . . 99 . . . 6193 1 932 . 1 1 100 100 GLU CA C 13 56.782 0.032 . 1 . . . . 99 . . . 6193 1 933 . 1 1 100 100 GLU HA H 1 3.862 0.001 . 1 . . . . 99 . . . 6193 1 934 . 1 1 100 100 GLU C C 13 175.752 0.002 . 1 . . . . 99 . . . 6193 1 935 . 1 1 100 100 GLU CB C 13 26.339 0.05 . 1 . . . . 99 . . . 6193 1 936 . 1 1 100 100 GLU HB2 H 1 2.114 0.002 . 1 . . . . 99 . . . 6193 1 937 . 1 1 100 100 GLU HB3 H 1 1.998 0.001 . 1 . . . . 99 . . . 6193 1 938 . 1 1 100 100 GLU HG2 H 1 2.430 0.015 . 1 . . . . 99 . . . 6193 1 939 . 1 1 100 100 GLU HG3 H 1 2.247 0.015 . 1 . . . . 99 . . . 6193 1 940 . 1 1 101 101 TYR H H 1 8.238 0.002 . 1 . . . . 100 . . . 6193 1 941 . 1 1 101 101 TYR N N 15 118.901 0.019 . 1 . . . . 100 . . . 6193 1 942 . 1 1 101 101 TYR CA C 13 57.390 0.040 . 1 . . . . 100 . . . 6193 1 943 . 1 1 101 101 TYR HA H 1 3.167 0.005 . 1 . . . . 100 . . . 6193 1 944 . 1 1 101 101 TYR C C 13 173.561 0.002 . 1 . . . . 100 . . . 6193 1 945 . 1 1 101 101 TYR CB C 13 35.848 0.05 . 1 . . . . 100 . . . 6193 1 946 . 1 1 101 101 TYR HB2 H 1 2.798 0.004 . 1 . . . . 100 . . . 6193 1 947 . 1 1 101 101 TYR HB3 H 1 2.616 0.004 . 1 . . . . 100 . . . 6193 1 948 . 1 1 102 102 SER H H 1 7.570 0.008 . 1 . . . . 101 . . . 6193 1 949 . 1 1 102 102 SER N N 15 112.045 0.022 . 1 . . . . 101 . . . 6193 1 950 . 1 1 102 102 SER CA C 13 58.665 0.058 . 1 . . . . 101 . . . 6193 1 951 . 1 1 102 102 SER HA H 1 3.794 0.015 . 1 . . . . 101 . . . 6193 1 952 . 1 1 102 102 SER C C 13 173.197 0.002 . 1 . . . . 101 . . . 6193 1 953 . 1 1 102 102 SER CB C 13 60.066 0.05 . 1 . . . . 101 . . . 6193 1 954 . 1 1 103 103 ARG H H 1 7.007 0.002 . 1 . . . . 102 . . . 6193 1 955 . 1 1 103 103 ARG N N 15 120.176 0.033 . 1 . . . . 102 . . . 6193 1 956 . 1 1 103 103 ARG CA C 13 55.588 0.051 . 1 . . . . 102 . . . 6193 1 957 . 1 1 103 103 ARG HA H 1 3.803 0.006 . 1 . . . . 102 . . . 6193 1 958 . 1 1 103 103 ARG C C 13 172.564 0.05 . 1 . . . . 102 . . . 6193 1 959 . 1 1 103 103 ARG CB C 13 26.703 0.012 . 1 . . . . 102 . . . 6193 1 960 . 1 1 103 103 ARG HB2 H 1 1.409 0.006 . 1 . . . . 102 . . . 6193 1 961 . 1 1 103 103 ARG CG C 13 24.024 0.05 . 1 . . . . 102 . . . 6193 1 962 . 1 1 103 103 ARG HG2 H 1 1.159 0.004 . 1 . . . . 102 . . . 6193 1 963 . 1 1 103 103 ARG HG3 H 1 0.976 0.004 . 1 . . . . 102 . . . 6193 1 964 . 1 1 103 103 ARG CD C 13 40.553 0.030 . 1 . . . . 102 . . . 6193 1 965 . 1 1 103 103 ARG HD2 H 1 2.833 0.015 . 1 . . . . 102 . . . 6193 1 966 . 1 1 103 103 ARG NE N 15 83.918 0.04 . 1 . . . . 102 . . . 6193 1 967 . 1 1 103 103 ARG HE H 1 7.033 0.003 . 1 . . . . 102 . . . 6193 1 968 . 1 1 104 104 PHE H H 1 7.621 0.002 . 1 . . . . 103 . . . 6193 1 969 . 1 1 104 104 PHE N N 15 117.847 0.016 . 1 . . . . 103 . . . 6193 1 970 . 1 1 104 104 PHE CA C 13 56.870 0.038 . 1 . . . . 103 . . . 6193 1 971 . 1 1 104 104 PHE HA H 1 4.079 0.005 . 1 . . . . 103 . . . 6193 1 972 . 1 1 104 104 PHE C C 13 174.388 0.002 . 1 . . . . 103 . . . 6193 1 973 . 1 1 104 104 PHE CB C 13 35.414 0.018 . 1 . . . . 103 . . . 6193 1 974 . 1 1 104 104 PHE HB2 H 1 2.868 0.002 . 1 . . . . 103 . . . 6193 1 975 . 1 1 104 104 PHE HB3 H 1 2.342 0.008 . 1 . . . . 103 . . . 6193 1 976 . 1 1 105 105 GLU H H 1 7.433 0.001 . 1 . . . . 104 . . . 6193 1 977 . 1 1 105 105 GLU N N 15 119.122 0.018 . 1 . . . . 104 . . . 6193 1 978 . 1 1 105 105 GLU CA C 13 54.507 0.055 . 1 . . . . 104 . . . 6193 1 979 . 1 1 105 105 GLU HA H 1 3.904 0.004 . 1 . . . . 104 . . . 6193 1 980 . 1 1 105 105 GLU C C 13 173.981 0.004 . 1 . . . . 104 . . . 6193 1 981 . 1 1 105 105 GLU CB C 13 27.171 0.05 . 1 . . . . 104 . . . 6193 1 982 . 1 1 105 105 GLU HB2 H 1 1.792 0.003 . 1 . . . . 104 . . . 6193 1 983 . 1 1 105 105 GLU HB3 H 1 1.634 0.001 . 1 . . . . 104 . . . 6193 1 984 . 1 1 105 105 GLU HG2 H 1 1.934 0.012 . 1 . . . . 104 . . . 6193 1 985 . 1 1 106 106 ALA H H 1 7.719 0.002 . 1 . . . . 105 . . . 6193 1 986 . 1 1 106 106 ALA N N 15 122.115 0.023 . 1 . . . . 105 . . . 6193 1 987 . 1 1 106 106 ALA CA C 13 50.460 0.019 . 1 . . . . 105 . . . 6193 1 988 . 1 1 106 106 ALA HA H 1 4.044 0.003 . 1 . . . . 105 . . . 6193 1 989 . 1 1 106 106 ALA C C 13 175.161 0.004 . 1 . . . . 105 . . . 6193 1 990 . 1 1 106 106 ALA CB C 13 15.924 0.05 . 1 . . . . 105 . . . 6193 1 991 . 1 1 106 106 ALA HB1 H 1 1.232 0.003 . 1 . . . . 105 . . . 6193 1 992 . 1 1 106 106 ALA HB2 H 1 1.232 0.003 . 1 . . . . 105 . . . 6193 1 993 . 1 1 106 106 ALA HB3 H 1 1.232 0.003 . 1 . . . . 105 . . . 6193 1 994 . 1 1 107 107 ASN H H 1 7.926 0.002 . 1 . . . . 106 . . . 6193 1 995 . 1 1 107 107 ASN N N 15 115.943 0.025 . 1 . . . . 106 . . . 6193 1 996 . 1 1 107 107 ASN CA C 13 50.542 0.042 . 1 . . . . 106 . . . 6193 1 997 . 1 1 107 107 ASN HA H 1 4.562 0.005 . 1 . . . . 106 . . . 6193 1 998 . 1 1 107 107 ASN C C 13 172.352 0.004 . 1 . . . . 106 . . . 6193 1 999 . 1 1 107 107 ASN CB C 13 36.058 0.05 . 1 . . . . 106 . . . 6193 1 1000 . 1 1 107 107 ASN HB2 H 1 2.706 0.004 . 1 . . . . 106 . . . 6193 1 1001 . 1 1 107 107 ASN HB3 H 1 2.589 0.006 . 1 . . . . 106 . . . 6193 1 1002 . 1 1 107 107 ASN CG C 13 174.262 0.018 . 1 . . . . 106 . . . 6193 1 1003 . 1 1 107 107 ASN ND2 N 15 112.443 0.014 . 1 . . . . 106 . . . 6193 1 1004 . 1 1 107 107 ASN HD21 H 1 7.494 0.003 . 1 . . . . 106 . . . 6193 1 1005 . 1 1 107 107 ASN HD22 H 1 6.760 0.002 . 1 . . . . 106 . . . 6193 1 1006 . 1 1 108 108 SER H H 1 7.831 0.001 . 1 . . . . 107 . . . 6193 1 1007 . 1 1 108 108 SER N N 15 115.192 0.021 . 1 . . . . 107 . . . 6193 1 1008 . 1 1 108 108 SER CA C 13 55.545 0.082 . 1 . . . . 107 . . . 6193 1 1009 . 1 1 108 108 SER HA H 1 4.281 0.003 . 1 . . . . 107 . . . 6193 1 1010 . 1 1 108 108 SER C C 13 170.672 0.005 . 1 . . . . 107 . . . 6193 1 1011 . 1 1 108 108 SER CB C 13 61.062 0.078 . 1 . . . . 107 . . . 6193 1 1012 . 1 1 108 108 SER HB2 H 1 3.691 0.008 . 1 . . . . 107 . . . 6193 1 1013 . 1 1 109 109 ARG H H 1 7.627 0.009 . 1 . . . . 108 . . . 6193 1 1014 . 1 1 109 109 ARG N N 15 127.122 0.004 . 1 . . . . 108 . . . 6193 1 1015 . 1 1 109 109 ARG CA C 13 54.660 0.05 . 1 . . . . 108 . . . 6193 1 1016 . 1 1 109 109 ARG HA H 1 4.030 0.015 . 1 . . . . 108 . . . 6193 1 1017 . 1 1 109 109 ARG C C 13 172.580 0.05 . 1 . . . . 108 . . . 6193 1 1018 . 1 1 109 109 ARG CB C 13 28.611 0.008 . 1 . . . . 108 . . . 6193 1 1019 . 1 1 109 109 ARG HB2 H 1 1.718 0.015 . 1 . . . . 108 . . . 6193 1 1020 . 1 1 109 109 ARG HB3 H 1 1.579 0.002 . 1 . . . . 108 . . . 6193 1 1021 . 1 1 109 109 ARG CG C 13 24.334 0.05 . 1 . . . . 108 . . . 6193 1 1022 . 1 1 109 109 ARG HG2 H 1 1.445 0.001 . 1 . . . . 108 . . . 6193 1 1023 . 1 1 109 109 ARG CD C 13 40.736 0.010 . 1 . . . . 108 . . . 6193 1 1024 . 1 1 109 109 ARG HD2 H 1 3.023 0.002 . 1 . . . . 108 . . . 6193 1 1025 . 1 1 109 109 ARG NE N 15 84.516 0.04 . 1 . . . . 108 . . . 6193 1 1026 . 1 1 109 109 ARG HE H 1 7.064 0.006 . 1 . . . . 108 . . . 6193 1 stop_ save_