data_11060 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11060 _Entry.Title ; Unusual Thermal Disassembly of the SPFH Domain Oligomer from Pyrococcus horikoshii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-26 _Entry.Accession_date 2008-11-26 _Entry.Last_release_date 2010-01-11 _Entry.Original_release_date 2010-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yohta Kuwahara . . . 11060 2 Satoru Unzai . . . 11060 3 Takashi Nagata . . . 11060 4 Yoko Hiroaki . . . 11060 5 Hideshi Yokoyama . . . 11060 6 Ikuo Matsui . . . 11060 7 Takahisa Ikegami . . . 11060 8 Yoshinori Fujiyoshi . . . 11060 9 Hidekazu Hiroaki . . . 11060 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'membrane protein' . 11060 'SPFH domain' . 11060 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11060 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 395 11060 '15N chemical shifts' 115 11060 '1H chemical shifts' 807 11060 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 . . 2010-01-11 2008-11-26 original author . 11060 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2RPB 'BMRB Entry Tracking System' 11060 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11060 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19804735 _Citation.Full_citation . _Citation.Title ; Unusual Thermal Disassembly of the SPFH Domain Oligomer from Pyrococcus horikoshii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biophysical J.' _Citation.Journal_name_full 'Biophysical Journal' _Citation.Journal_volume 97 _Citation.Journal_issue 7 _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 2034 _Citation.Page_last 2043 _Citation.Year 2009 _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 Yohta Kuwahara . . . 11060 1 2 Satoru Unzai . . . 11060 1 3 Takashi Nagata . . . 11060 1 4 Yoko Hiroaki . . . 11060 1 5 Hideshi Yokoyama . . . 11060 1 6 Ikuo Matsui . . . 11060 1 7 Takahisa Ikegami . . . 11060 1 8 Yoshinori Fujiyoshi . . . 11060 1 9 Hidekazu Hiroaki . . . 11060 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11060 _Assembly.ID 1 _Assembly.Name PH0470 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SPFH domain' 1 $entity_1 A . yes native no no . . . 11060 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11060 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SPFH domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSDHVDLREHVIDVPPQEVI CKDNVVVTVDAVVYYQVIDP VKAVYNVSDFLMAIVKLAQT NLRAIIGEMELDETLSGRDI INARLREELDKITDRWGVKI TRVEIQRIDPPKD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 62-65 represent cloning artifacts' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12868.851 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 PDB 2RPB . "The Solution Structure Of Membrane Protein" . . . . . 100.00 113 100.00 100.00 4.23e-73 . . . . 11060 1 2 no DBJ BAA29558 . "298aa long hypothetical membrane protein [Pyrococcus horikoshii OT3]" . . . . . 96.46 298 100.00 100.00 7.99e-69 . . . . 11060 1 3 no EMBL CAB50468 . "Stomatin-like protein [Pyrococcus abyssi GE5]" . . . . . 96.46 299 97.25 100.00 6.02e-68 . . . . 11060 1 4 no GB AEC52040 . "Hypothetical membrane protease subunit [Pyrococcus sp. NA2]" . . . . . 96.46 296 99.08 100.00 1.72e-68 . . . . 11060 1 5 no REF WP_013748594 . "hypothetical protein [Pyrococcus sp. NA2]" . . . . . 96.46 296 99.08 100.00 1.72e-68 . . . . 11060 1 6 no REF WP_048053138 . "hypothetical protein [Pyrococcus horikoshii]" . . . . . 96.46 294 100.00 100.00 7.51e-69 . . . . 11060 1 7 no REF WP_048147080 . "hypothetical protein [Pyrococcus abyssi]" . . . . . 96.46 298 97.25 100.00 6.44e-68 . . . . 11060 1 8 no TPE CCE71018 . "TPA: stomatin-like protein [Pyrococcus abyssi GE5]" . . . . . 96.46 298 97.25 100.00 6.44e-68 . . . . 11060 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 62 GLY . 11060 1 2 63 SER . 11060 1 3 64 ASP . 11060 1 4 65 HIS . 11060 1 5 66 VAL . 11060 1 6 67 ASP . 11060 1 7 68 LEU . 11060 1 8 69 ARG . 11060 1 9 70 GLU . 11060 1 10 71 HIS . 11060 1 11 72 VAL . 11060 1 12 73 ILE . 11060 1 13 74 ASP . 11060 1 14 75 VAL . 11060 1 15 76 PRO . 11060 1 16 77 PRO . 11060 1 17 78 GLN . 11060 1 18 79 GLU . 11060 1 19 80 VAL . 11060 1 20 81 ILE . 11060 1 21 82 CYS . 11060 1 22 83 LYS . 11060 1 23 84 ASP . 11060 1 24 85 ASN . 11060 1 25 86 VAL . 11060 1 26 87 VAL . 11060 1 27 88 VAL . 11060 1 28 89 THR . 11060 1 29 90 VAL . 11060 1 30 91 ASP . 11060 1 31 92 ALA . 11060 1 32 93 VAL . 11060 1 33 94 VAL . 11060 1 34 95 TYR . 11060 1 35 96 TYR . 11060 1 36 97 GLN . 11060 1 37 98 VAL . 11060 1 38 99 ILE . 11060 1 39 100 ASP . 11060 1 40 101 PRO . 11060 1 41 102 VAL . 11060 1 42 103 LYS . 11060 1 43 104 ALA . 11060 1 44 105 VAL . 11060 1 45 106 TYR . 11060 1 46 107 ASN . 11060 1 47 108 VAL . 11060 1 48 109 SER . 11060 1 49 110 ASP . 11060 1 50 111 PHE . 11060 1 51 112 LEU . 11060 1 52 113 MET . 11060 1 53 114 ALA . 11060 1 54 115 ILE . 11060 1 55 116 VAL . 11060 1 56 117 LYS . 11060 1 57 118 LEU . 11060 1 58 119 ALA . 11060 1 59 120 GLN . 11060 1 60 121 THR . 11060 1 61 122 ASN . 11060 1 62 123 LEU . 11060 1 63 124 ARG . 11060 1 64 125 ALA . 11060 1 65 126 ILE . 11060 1 66 127 ILE . 11060 1 67 128 GLY . 11060 1 68 129 GLU . 11060 1 69 130 MET . 11060 1 70 131 GLU . 11060 1 71 132 LEU . 11060 1 72 133 ASP . 11060 1 73 134 GLU . 11060 1 74 135 THR . 11060 1 75 136 LEU . 11060 1 76 137 SER . 11060 1 77 138 GLY . 11060 1 78 139 ARG . 11060 1 79 140 ASP . 11060 1 80 141 ILE . 11060 1 81 142 ILE . 11060 1 82 143 ASN . 11060 1 83 144 ALA . 11060 1 84 145 ARG . 11060 1 85 146 LEU . 11060 1 86 147 ARG . 11060 1 87 148 GLU . 11060 1 88 149 GLU . 11060 1 89 150 LEU . 11060 1 90 151 ASP . 11060 1 91 152 LYS . 11060 1 92 153 ILE . 11060 1 93 154 THR . 11060 1 94 155 ASP . 11060 1 95 156 ARG . 11060 1 96 157 TRP . 11060 1 97 158 GLY . 11060 1 98 159 VAL . 11060 1 99 160 LYS . 11060 1 100 161 ILE . 11060 1 101 162 THR . 11060 1 102 163 ARG . 11060 1 103 164 VAL . 11060 1 104 165 GLU . 11060 1 105 166 ILE . 11060 1 106 167 GLN . 11060 1 107 168 ARG . 11060 1 108 169 ILE . 11060 1 109 170 ASP . 11060 1 110 171 PRO . 11060 1 111 172 PRO . 11060 1 112 173 LYS . 11060 1 113 174 ASP . 11060 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 11060 1 . SER 2 2 11060 1 . ASP 3 3 11060 1 . HIS 4 4 11060 1 . VAL 5 5 11060 1 . ASP 6 6 11060 1 . LEU 7 7 11060 1 . ARG 8 8 11060 1 . GLU 9 9 11060 1 . HIS 10 10 11060 1 . VAL 11 11 11060 1 . ILE 12 12 11060 1 . ASP 13 13 11060 1 . VAL 14 14 11060 1 . PRO 15 15 11060 1 . PRO 16 16 11060 1 . GLN 17 17 11060 1 . GLU 18 18 11060 1 . VAL 19 19 11060 1 . ILE 20 20 11060 1 . CYS 21 21 11060 1 . LYS 22 22 11060 1 . ASP 23 23 11060 1 . ASN 24 24 11060 1 . VAL 25 25 11060 1 . VAL 26 26 11060 1 . VAL 27 27 11060 1 . THR 28 28 11060 1 . VAL 29 29 11060 1 . ASP 30 30 11060 1 . ALA 31 31 11060 1 . VAL 32 32 11060 1 . VAL 33 33 11060 1 . TYR 34 34 11060 1 . TYR 35 35 11060 1 . GLN 36 36 11060 1 . VAL 37 37 11060 1 . ILE 38 38 11060 1 . ASP 39 39 11060 1 . PRO 40 40 11060 1 . VAL 41 41 11060 1 . LYS 42 42 11060 1 . ALA 43 43 11060 1 . VAL 44 44 11060 1 . TYR 45 45 11060 1 . ASN 46 46 11060 1 . VAL 47 47 11060 1 . SER 48 48 11060 1 . ASP 49 49 11060 1 . PHE 50 50 11060 1 . LEU 51 51 11060 1 . MET 52 52 11060 1 . ALA 53 53 11060 1 . ILE 54 54 11060 1 . VAL 55 55 11060 1 . LYS 56 56 11060 1 . LEU 57 57 11060 1 . ALA 58 58 11060 1 . GLN 59 59 11060 1 . THR 60 60 11060 1 . ASN 61 61 11060 1 . LEU 62 62 11060 1 . ARG 63 63 11060 1 . ALA 64 64 11060 1 . ILE 65 65 11060 1 . ILE 66 66 11060 1 . GLY 67 67 11060 1 . GLU 68 68 11060 1 . MET 69 69 11060 1 . GLU 70 70 11060 1 . LEU 71 71 11060 1 . ASP 72 72 11060 1 . GLU 73 73 11060 1 . THR 74 74 11060 1 . LEU 75 75 11060 1 . SER 76 76 11060 1 . GLY 77 77 11060 1 . ARG 78 78 11060 1 . ASP 79 79 11060 1 . ILE 80 80 11060 1 . ILE 81 81 11060 1 . ASN 82 82 11060 1 . ALA 83 83 11060 1 . ARG 84 84 11060 1 . LEU 85 85 11060 1 . ARG 86 86 11060 1 . GLU 87 87 11060 1 . GLU 88 88 11060 1 . LEU 89 89 11060 1 . ASP 90 90 11060 1 . LYS 91 91 11060 1 . ILE 92 92 11060 1 . THR 93 93 11060 1 . ASP 94 94 11060 1 . ARG 95 95 11060 1 . TRP 96 96 11060 1 . GLY 97 97 11060 1 . VAL 98 98 11060 1 . LYS 99 99 11060 1 . ILE 100 100 11060 1 . THR 101 101 11060 1 . ARG 102 102 11060 1 . VAL 103 103 11060 1 . GLU 104 104 11060 1 . ILE 105 105 11060 1 . GLN 106 106 11060 1 . ARG 107 107 11060 1 . ILE 108 108 11060 1 . ASP 109 109 11060 1 . PRO 110 110 11060 1 . PRO 111 111 11060 1 . LYS 112 112 11060 1 . ASP 113 113 11060 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 11060 _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 $entity_1 . 53953 organism . 'Pyrococcus horikoshii OT3' 'Pyrococcus horikoshii' . . Archaea . Pyrococcus horikoshii OT3 . . . . . . . . . . . . . . . PH0470 . . . . 11060 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 11060 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 469008 Escherichia coli 'BL21 codonplus(DE3)-RIL' . . . . . . . . . . . . . . . pGEX-4T3 . . . . . . 11060 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11060 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPFH domain' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.7 . . mM . . . . 11060 1 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11060 1 3 H2O . . . . . . . 90 . . % . . . . 11060 1 4 D2O . . . . . . . 10 . . % . . . . 11060 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 11060 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SPFH domain' '[U-100% 13C]' . . 1 $entity_1 . . 0.8 . . mM . . . . 11060 2 2 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 11060 2 3 D2O . . . . . . . 100 . . % . . . . 11060 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 11060 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 11060 1 pH 7.5 . pH 11060 1 pressure 1 . atm 11060 1 temperature 303 . K 11060 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11060 _Software.ID 1 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 11060 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11060 1 'structure solution' 11060 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11060 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 11060 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11060 2 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 11060 _Software.ID 3 _Software.Name Molmol _Software.Version 2K.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 11060 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11060 3 refinement 11060 3 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11060 _Software.ID 4 _Software.Name SPARKY _Software.Version 3.106 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 11060 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11060 4 refinement 11060 4 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 11060 _Software.ID 5 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 11060 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11060 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11060 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11060 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 11060 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11060 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 500 . . . 11060 1 2 spectrometer_2 Bruker DRX . 800 . . . 11060 1 3 spectrometer_3 Varian INOVA . 900 . . . 11060 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 11060 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 2 '3D CBCANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 7 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 8 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11060 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11060 1 10 '3D 13C-editted NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11060 1 11 '3D 15N-editted NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 11060 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 11060 _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 dioxane 'methylene carbons' . . . . ppm 69.46 external direct 1.0 . . . . . . . . . 11060 1 H 1 TMS 'methyl protons' . . . . ppm 0 external direct 1.0 . . . . . . . . . 11060 1 N 15 TMS 'methyl protons' . . . . ppm 0 external indirect 0.10136767 . . . . . . . . . 11060 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 11060 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 isotropic 11060 1 2 '3D CBCANH' 1 $sample_1 isotropic 11060 1 3 '3D CBCA(CO)NH' 1 $sample_1 isotropic 11060 1 4 '3D HNCO' 1 $sample_1 isotropic 11060 1 5 '3D HNCA' 1 $sample_1 isotropic 11060 1 6 '3D HN(CO)CA' 1 $sample_1 isotropic 11060 1 7 '3D CC(CO)NH' 1 $sample_1 isotropic 11060 1 8 '3D HCC(CO)NH' 1 $sample_1 isotropic 11060 1 9 '3D HCCH-TOCSY' 2 $sample_2 isotropic 11060 1 10 '3D 13C-editted NOESY' 2 $sample_2 isotropic 11060 1 11 '3D 15N-editted NOESY' 1 $sample_1 isotropic 11060 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 HA H 1 4.66 0.001 . 1 . . . . 63 SER HA . 11060 1 2 . 1 1 2 2 SER HB2 H 1 3.992 0 . 2 . . . . 63 SER HB2 . 11060 1 3 . 1 1 2 2 SER HB3 H 1 3.951 0 . 2 . . . . 63 SER HB3 . 11060 1 4 . 1 1 2 2 SER CB C 13 63.645 0.001 . 1 . . . . 63 SER CB . 11060 1 5 . 1 1 3 3 ASP HA H 1 4.688 0 . 1 . . . . 64 ASP HA . 11060 1 6 . 1 1 3 3 ASP HB2 H 1 2.743 0 . 2 . . . . 64 ASP HB2 . 11060 1 7 . 1 1 3 3 ASP HB3 H 1 2.693 0 . 2 . . . . 64 ASP HB3 . 11060 1 8 . 1 1 3 3 ASP H H 1 8.603 0 . 1 . . . . 64 ASP HN . 11060 1 9 . 1 1 3 3 ASP CA C 13 54.354 0 . 1 . . . . 64 ASP CA . 11060 1 10 . 1 1 3 3 ASP CB C 13 40.98 0.011 . 1 . . . . 64 ASP CB . 11060 1 11 . 1 1 3 3 ASP N N 15 122.069 0 . 1 . . . . 64 ASP N . 11060 1 12 . 1 1 4 4 HIS HA H 1 4.735 0 . 1 . . . . 65 HIS HA . 11060 1 13 . 1 1 4 4 HIS HB2 H 1 3.234 0 . 2 . . . . 65 HIS HB2 . 11060 1 14 . 1 1 4 4 HIS HB3 H 1 3.21 0 . 2 . . . . 65 HIS HB3 . 11060 1 15 . 1 1 4 4 HIS HD2 H 1 7.139 0 . 1 . . . . 65 HIS HD2 . 11060 1 16 . 1 1 4 4 HIS HE1 H 1 8.072 0 . 1 . . . . 65 HIS HE1 . 11060 1 17 . 1 1 4 4 HIS H H 1 8.354 0 . 1 . . . . 65 HIS HN . 11060 1 18 . 1 1 4 4 HIS CA C 13 56.22 0 . 1 . . . . 65 HIS CA . 11060 1 19 . 1 1 4 4 HIS CB C 13 30.57 0.004 . 1 . . . . 65 HIS CB . 11060 1 20 . 1 1 4 4 HIS CD2 C 13 119.807 0 . 1 . . . . 65 HIS CD2 . 11060 1 21 . 1 1 4 4 HIS CE1 C 13 138.053 0 . 1 . . . . 65 HIS CE1 . 11060 1 22 . 1 1 4 4 HIS N N 15 119.219 0 . 1 . . . . 65 HIS N . 11060 1 23 . 1 1 5 5 VAL HG11 H 1 0.999 0 . 1 . . . . 66 VAL QG1 . 11060 1 24 . 1 1 5 5 VAL HG12 H 1 0.999 0 . 1 . . . . 66 VAL QG1 . 11060 1 25 . 1 1 5 5 VAL HG13 H 1 0.999 0 . 1 . . . . 66 VAL QG1 . 11060 1 26 . 1 1 5 5 VAL HG21 H 1 1.003 0 . 1 . . . . 66 VAL QG2 . 11060 1 27 . 1 1 5 5 VAL HG22 H 1 1.003 0 . 1 . . . . 66 VAL QG2 . 11060 1 28 . 1 1 5 5 VAL HG23 H 1 1.003 0 . 1 . . . . 66 VAL QG2 . 11060 1 29 . 1 1 5 5 VAL HA H 1 4.183 0 . 1 . . . . 66 VAL HA . 11060 1 30 . 1 1 5 5 VAL HB H 1 2.138 0 . 1 . . . . 66 VAL HB . 11060 1 31 . 1 1 5 5 VAL H H 1 8.073 0 . 1 . . . . 66 VAL HN . 11060 1 32 . 1 1 5 5 VAL CA C 13 62.127 0 . 1 . . . . 66 VAL CA . 11060 1 33 . 1 1 5 5 VAL CB C 13 32.96 0 . 1 . . . . 66 VAL CB . 11060 1 34 . 1 1 5 5 VAL CG1 C 13 20.568 0 . 2 . . . . 66 VAL CG1 . 11060 1 35 . 1 1 5 5 VAL CG2 C 13 20.494 0 . 2 . . . . 66 VAL CG2 . 11060 1 36 . 1 1 5 5 VAL N N 15 121.775 0 . 1 . . . . 66 VAL N . 11060 1 37 . 1 1 6 6 ASP CA C 13 53.727 0 . 1 . . . . 67 ASP CA . 11060 1 38 . 1 1 6 6 ASP CB C 13 41.472 0.002 . 1 . . . . 67 ASP CB . 11060 1 39 . 1 1 6 6 ASP HA H 1 4.771 0 . 1 . . . . 67 ASP HA . 11060 1 40 . 1 1 6 6 ASP HB2 H 1 2.957 0 . 2 . . . . 67 ASP HB2 . 11060 1 41 . 1 1 6 6 ASP HB3 H 1 2.801 0 . 2 . . . . 67 ASP HB3 . 11060 1 42 . 1 1 6 6 ASP H H 1 8.615 0 . 1 . . . . 67 ASP HN . 11060 1 43 . 1 1 6 6 ASP N N 15 124.725 0 . 1 . . . . 67 ASP N . 11060 1 44 . 1 1 7 7 LEU CA C 13 54.586 0 . 1 . . . . 68 LEU CA . 11060 1 45 . 1 1 7 7 LEU CB C 13 41.657 0.009 . 1 . . . . 68 LEU CB . 11060 1 46 . 1 1 7 7 LEU CD1 C 13 25.286 0 . 2 . . . . 68 LEU CD1 . 11060 1 47 . 1 1 7 7 LEU CD2 C 13 22.995 0 . 2 . . . . 68 LEU CD2 . 11060 1 48 . 1 1 7 7 LEU CG C 13 26.864 0 . 1 . . . . 68 LEU CG . 11060 1 49 . 1 1 7 7 LEU HA H 1 4.556 0 . 1 . . . . 68 LEU HA . 11060 1 50 . 1 1 7 7 LEU HB2 H 1 1.795 0 . 2 . . . . 68 LEU HB2 . 11060 1 51 . 1 1 7 7 LEU HB3 H 1 1.732 0 . 2 . . . . 68 LEU HB3 . 11060 1 52 . 1 1 7 7 LEU HG H 1 1.727 0 . 1 . . . . 68 LEU HG . 11060 1 53 . 1 1 7 7 LEU H H 1 8.441 0 . 1 . . . . 68 LEU HN . 11060 1 54 . 1 1 7 7 LEU N N 15 123.747 0 . 1 . . . . 68 LEU N . 11060 1 55 . 1 1 7 7 LEU HD11 H 1 1.013 0 . 1 . . . . 68 LEU QD1 . 11060 1 56 . 1 1 7 7 LEU HD12 H 1 1.013 0 . 1 . . . . 68 LEU QD1 . 11060 1 57 . 1 1 7 7 LEU HD13 H 1 1.013 0 . 1 . . . . 68 LEU QD1 . 11060 1 58 . 1 1 7 7 LEU HD21 H 1 0.921 0 . 1 . . . . 68 LEU QD2 . 11060 1 59 . 1 1 7 7 LEU HD22 H 1 0.921 0 . 1 . . . . 68 LEU QD2 . 11060 1 60 . 1 1 7 7 LEU HD23 H 1 0.921 0 . 1 . . . . 68 LEU QD2 . 11060 1 61 . 1 1 8 8 ARG CA C 13 56.247 0 . 1 . . . . 69 ARG CA . 11060 1 62 . 1 1 8 8 ARG CB C 13 30.828 0.009 . 1 . . . . 69 ARG CB . 11060 1 63 . 1 1 8 8 ARG CD C 13 43.257 0.005 . 1 . . . . 69 ARG CD . 11060 1 64 . 1 1 8 8 ARG CG C 13 26.84 0 . 1 . . . . 69 ARG CG . 11060 1 65 . 1 1 8 8 ARG HA H 1 4.253 0 . 1 . . . . 69 ARG HA . 11060 1 66 . 1 1 8 8 ARG HB2 H 1 1.828 0 . 2 . . . . 69 ARG HB2 . 11060 1 67 . 1 1 8 8 ARG HB3 H 1 1.753 0 . 2 . . . . 69 ARG HB3 . 11060 1 68 . 1 1 8 8 ARG HD2 H 1 3.277 0 . 2 . . . . 69 ARG HD2 . 11060 1 69 . 1 1 8 8 ARG HD3 H 1 3.23 0 . 2 . . . . 69 ARG HD3 . 11060 1 70 . 1 1 8 8 ARG H H 1 8.209 0 . 1 . . . . 69 ARG HN . 11060 1 71 . 1 1 8 8 ARG N N 15 121.063 0 . 1 . . . . 69 ARG N . 11060 1 72 . 1 1 8 8 ARG HG2 H 1 1.604 0 . 2 . . . . 69 ARG QG . 11060 1 73 . 1 1 9 9 GLU CA C 13 55.691 0 . 1 . . . . 70 GLU CA . 11060 1 74 . 1 1 9 9 GLU CB C 13 31.777 0.004 . 1 . . . . 70 GLU CB . 11060 1 75 . 1 1 9 9 GLU CG C 13 38.009 0 . 1 . . . . 70 GLU CG . 11060 1 76 . 1 1 9 9 GLU HA H 1 4.655 0 . 1 . . . . 70 GLU HA . 11060 1 77 . 1 1 9 9 GLU HB2 H 1 2.119 0 . 2 . . . . 70 GLU HB2 . 11060 1 78 . 1 1 9 9 GLU HB3 H 1 1.958 0 . 2 . . . . 70 GLU HB3 . 11060 1 79 . 1 1 9 9 GLU H H 1 8.338 0 . 1 . . . . 70 GLU HN . 11060 1 80 . 1 1 9 9 GLU N N 15 121.677 0 . 1 . . . . 70 GLU N . 11060 1 81 . 1 1 9 9 GLU HG2 H 1 2.288 0 . 2 . . . . 70 GLU QG . 11060 1 82 . 1 1 10 10 HIS CA C 13 54.619 0 . 1 . . . . 71 HIS CA . 11060 1 83 . 1 1 10 10 HIS CB C 13 32.189 0.011 . 1 . . . . 71 HIS CB . 11060 1 84 . 1 1 10 10 HIS CD2 C 13 120.557 0 . 1 . . . . 71 HIS CD2 . 11060 1 85 . 1 1 10 10 HIS CE1 C 13 137.207 0 . 1 . . . . 71 HIS CE1 . 11060 1 86 . 1 1 10 10 HIS HA H 1 4.716 0 . 1 . . . . 71 HIS HA . 11060 1 87 . 1 1 10 10 HIS HB2 H 1 2.874 0 . 2 . . . . 71 HIS HB2 . 11060 1 88 . 1 1 10 10 HIS HB3 H 1 1.631 0 . 2 . . . . 71 HIS HB3 . 11060 1 89 . 1 1 10 10 HIS HD2 H 1 6.941 0 . 1 . . . . 71 HIS HD2 . 11060 1 90 . 1 1 10 10 HIS HE1 H 1 8.096 0 . 1 . . . . 71 HIS HE1 . 11060 1 91 . 1 1 10 10 HIS H H 1 9.043 0 . 1 . . . . 71 HIS HN . 11060 1 92 . 1 1 10 10 HIS N N 15 125.575 0 . 1 . . . . 71 HIS N . 11060 1 93 . 1 1 11 11 VAL CA C 13 60.567 0 . 1 . . . . 72 VAL CA . 11060 1 94 . 1 1 11 11 VAL CB C 13 35.38 0 . 1 . . . . 72 VAL CB . 11060 1 95 . 1 1 11 11 VAL CG1 C 13 20.584 0 . 2 . . . . 72 VAL CG1 . 11060 1 96 . 1 1 11 11 VAL CG2 C 13 21.395 0 . 2 . . . . 72 VAL CG2 . 11060 1 97 . 1 1 11 11 VAL HA H 1 4.951 0 . 1 . . . . 72 VAL HA . 11060 1 98 . 1 1 11 11 VAL HB H 1 1.781 0 . 1 . . . . 72 VAL HB . 11060 1 99 . 1 1 11 11 VAL H H 1 8.218 0 . 1 . . . . 72 VAL HN . 11060 1 100 . 1 1 11 11 VAL N N 15 117.348 0 . 1 . . . . 72 VAL N . 11060 1 101 . 1 1 11 11 VAL HG11 H 1 0.678 0 . 1 . . . . 72 VAL QG1 . 11060 1 102 . 1 1 11 11 VAL HG12 H 1 0.678 0 . 1 . . . . 72 VAL QG1 . 11060 1 103 . 1 1 11 11 VAL HG13 H 1 0.678 0 . 1 . . . . 72 VAL QG1 . 11060 1 104 . 1 1 11 11 VAL HG21 H 1 0.583 0 . 1 . . . . 72 VAL QG2 . 11060 1 105 . 1 1 11 11 VAL HG22 H 1 0.583 0 . 1 . . . . 72 VAL QG2 . 11060 1 106 . 1 1 11 11 VAL HG23 H 1 0.583 0 . 1 . . . . 72 VAL QG2 . 11060 1 107 . 1 1 12 12 ILE CA C 13 59.857 0 . 1 . . . . 73 ILE CA . 11060 1 108 . 1 1 12 12 ILE CB C 13 41.969 0 . 1 . . . . 73 ILE CB . 11060 1 109 . 1 1 12 12 ILE CD1 C 13 14.87 0 . 1 . . . . 73 ILE CD1 . 11060 1 110 . 1 1 12 12 ILE CG1 C 13 27.752 0.01 . 1 . . . . 73 ILE CG1 . 11060 1 111 . 1 1 12 12 ILE CG2 C 13 17.204 0 . 1 . . . . 73 ILE CG2 . 11060 1 112 . 1 1 12 12 ILE HA H 1 4.464 0 . 1 . . . . 73 ILE HA . 11060 1 113 . 1 1 12 12 ILE HB H 1 1.82 0 . 1 . . . . 73 ILE HB . 11060 1 114 . 1 1 12 12 ILE HG12 H 1 1.719 0.004 . 2 . . . . 73 ILE HG12 . 11060 1 115 . 1 1 12 12 ILE HG13 H 1 1.201 0.014 . 2 . . . . 73 ILE HG13 . 11060 1 116 . 1 1 12 12 ILE H H 1 9.272 0 . 1 . . . . 73 ILE HN . 11060 1 117 . 1 1 12 12 ILE N N 15 126.908 0 . 1 . . . . 73 ILE N . 11060 1 118 . 1 1 12 12 ILE HD11 H 1 0.799 0 . 1 . . . . 73 ILE QD1 . 11060 1 119 . 1 1 12 12 ILE HD12 H 1 0.799 0 . 1 . . . . 73 ILE QD1 . 11060 1 120 . 1 1 12 12 ILE HD13 H 1 0.799 0 . 1 . . . . 73 ILE QD1 . 11060 1 121 . 1 1 12 12 ILE HG21 H 1 0.839 0 . 1 . . . . 73 ILE QG2 . 11060 1 122 . 1 1 12 12 ILE HG22 H 1 0.839 0 . 1 . . . . 73 ILE QG2 . 11060 1 123 . 1 1 12 12 ILE HG23 H 1 0.839 0 . 1 . . . . 73 ILE QG2 . 11060 1 124 . 1 1 13 13 ASP CB C 13 41.534 0.008 . 1 . . . . 74 ASP CB . 11060 1 125 . 1 1 13 13 ASP HA H 1 4.885 0 . 1 . . . . 74 ASP HA . 11060 1 126 . 1 1 13 13 ASP HB2 H 1 2.606 0 . 2 . . . . 74 ASP HB2 . 11060 1 127 . 1 1 13 13 ASP HB3 H 1 2.555 0 . 2 . . . . 74 ASP HB3 . 11060 1 128 . 1 1 13 13 ASP H H 1 8.501 0 . 1 . . . . 74 ASP HN . 11060 1 129 . 1 1 13 13 ASP N N 15 126.253 0 . 1 . . . . 74 ASP N . 11060 1 130 . 1 1 14 14 VAL CA C 13 59.55 0 . 1 . . . . 75 VAL CA . 11060 1 131 . 1 1 14 14 VAL CB C 13 32.27 0 . 1 . . . . 75 VAL CB . 11060 1 132 . 1 1 14 14 VAL CG1 C 13 21.629 0 . 2 . . . . 75 VAL CG1 . 11060 1 133 . 1 1 14 14 VAL CG2 C 13 21.492 0 . 2 . . . . 75 VAL CG2 . 11060 1 134 . 1 1 14 14 VAL HA H 1 4.491 0 . 1 . . . . 75 VAL HA . 11060 1 135 . 1 1 14 14 VAL HB H 1 2.219 0 . 1 . . . . 75 VAL HB . 11060 1 136 . 1 1 14 14 VAL H H 1 8.758 0 . 1 . . . . 75 VAL HN . 11060 1 137 . 1 1 14 14 VAL N N 15 124.997 0 . 1 . . . . 75 VAL N . 11060 1 138 . 1 1 14 14 VAL HG11 H 1 1.1 0 . 1 . . . . 75 VAL QG1 . 11060 1 139 . 1 1 14 14 VAL HG12 H 1 1.1 0 . 1 . . . . 75 VAL QG1 . 11060 1 140 . 1 1 14 14 VAL HG13 H 1 1.1 0 . 1 . . . . 75 VAL QG1 . 11060 1 141 . 1 1 14 14 VAL HG21 H 1 0.831 0 . 1 . . . . 75 VAL QG2 . 11060 1 142 . 1 1 14 14 VAL HG22 H 1 0.831 0 . 1 . . . . 75 VAL QG2 . 11060 1 143 . 1 1 14 14 VAL HG23 H 1 0.831 0 . 1 . . . . 75 VAL QG2 . 11060 1 144 . 1 1 15 15 PRO CB C 13 30.981 0.005 . 1 . . . . 76 PRO CB . 11060 1 145 . 1 1 15 15 PRO CD C 13 51.88 0.001 . 1 . . . . 76 PRO CD . 11060 1 146 . 1 1 15 15 PRO CG C 13 27.153 0 . 1 . . . . 76 PRO CG . 11060 1 147 . 1 1 15 15 PRO HA H 1 4.837 0 . 1 . . . . 76 PRO HA . 11060 1 148 . 1 1 15 15 PRO HB2 H 1 2.6 0 . 2 . . . . 76 PRO HB2 . 11060 1 149 . 1 1 15 15 PRO HB3 H 1 1.913 0 . 2 . . . . 76 PRO HB3 . 11060 1 150 . 1 1 15 15 PRO HD2 H 1 4.215 0 . 2 . . . . 76 PRO HD2 . 11060 1 151 . 1 1 15 15 PRO HD3 H 1 3.572 0 . 2 . . . . 76 PRO HD3 . 11060 1 152 . 1 1 15 15 PRO HG2 H 1 2.1 0 . 2 . . . . 76 PRO QG . 11060 1 153 . 1 1 16 16 PRO CB C 13 32.267 0.011 . 1 . . . . 77 PRO CB . 11060 1 154 . 1 1 16 16 PRO CD C 13 50.578 0.003 . 1 . . . . 77 PRO CD . 11060 1 155 . 1 1 16 16 PRO CG C 13 27.545 0 . 1 . . . . 77 PRO CG . 11060 1 156 . 1 1 16 16 PRO HA H 1 4.881 0.002 . 1 . . . . 77 PRO HA . 11060 1 157 . 1 1 16 16 PRO HB2 H 1 2.142 0 . 2 . . . . 77 PRO HB2 . 11060 1 158 . 1 1 16 16 PRO HB3 H 1 1.903 0 . 2 . . . . 77 PRO HB3 . 11060 1 159 . 1 1 16 16 PRO HD2 H 1 3.983 0 . 2 . . . . 77 PRO HD2 . 11060 1 160 . 1 1 16 16 PRO HD3 H 1 3.748 0 . 2 . . . . 77 PRO HD3 . 11060 1 161 . 1 1 16 16 PRO HG2 H 1 2.147 0 . 2 . . . . 77 PRO QG . 11060 1 162 . 1 1 17 17 GLN CA C 13 53.332 0 . 1 . . . . 78 GLN CA . 11060 1 163 . 1 1 17 17 GLN CB C 13 33.352 0.015 . 1 . . . . 78 GLN CB . 11060 1 164 . 1 1 17 17 GLN CG C 13 33.202 0.02 . 1 . . . . 78 GLN CG . 11060 1 165 . 1 1 17 17 GLN HA H 1 4.768 0 . 1 . . . . 78 GLN HA . 11060 1 166 . 1 1 17 17 GLN HB2 H 1 2.618 0 . 2 . . . . 78 GLN HB2 . 11060 1 167 . 1 1 17 17 GLN HB3 H 1 2.191 0 . 2 . . . . 78 GLN HB3 . 11060 1 168 . 1 1 17 17 GLN HG2 H 1 2.084 0 . 2 . . . . 78 GLN HG2 . 11060 1 169 . 1 1 17 17 GLN HG3 H 1 2.015 0 . 2 . . . . 78 GLN HG3 . 11060 1 170 . 1 1 17 17 GLN H H 1 8.612 0 . 1 . . . . 78 GLN HN . 11060 1 171 . 1 1 17 17 GLN N N 15 119.55 0 . 1 . . . . 78 GLN N . 11060 1 172 . 1 1 17 17 GLN NE2 N 15 110.276 0 . 1 . . . . 78 GLN NE2 . 11060 1 173 . 1 1 17 17 GLN HE21 H 1 7.152 0 . 4 . . . . 78 GLN QE2 . 11060 1 174 . 1 1 17 17 GLN HE22 H 1 7.152 0 . 4 . . . . 78 GLN QE2 . 11060 1 175 . 1 1 18 18 GLU CA C 13 55.955 0 . 1 . . . . 79 GLU CA . 11060 1 176 . 1 1 18 18 GLU CB C 13 30.087 0.005 . 1 . . . . 79 GLU CB . 11060 1 177 . 1 1 18 18 GLU CG C 13 37.055 0 . 1 . . . . 79 GLU CG . 11060 1 178 . 1 1 18 18 GLU HA H 1 5.07 0 . 1 . . . . 79 GLU HA . 11060 1 179 . 1 1 18 18 GLU HB2 H 1 2.024 0 . 2 . . . . 79 GLU HB2 . 11060 1 180 . 1 1 18 18 GLU HB3 H 1 1.843 0 . 2 . . . . 79 GLU HB3 . 11060 1 181 . 1 1 18 18 GLU HG2 H 1 2.318 0 . 2 . . . . 79 GLU HG2 . 11060 1 182 . 1 1 18 18 GLU HG3 H 1 2.221 0 . 2 . . . . 79 GLU HG3 . 11060 1 183 . 1 1 18 18 GLU H H 1 8.626 0 . 1 . . . . 79 GLU HN . 11060 1 184 . 1 1 18 18 GLU N N 15 123.226 0 . 1 . . . . 79 GLU N . 11060 1 185 . 1 1 19 19 VAL CA C 13 60.191 0 . 1 . . . . 80 VAL CA . 11060 1 186 . 1 1 19 19 VAL CB C 13 34.901 0 . 1 . . . . 80 VAL CB . 11060 1 187 . 1 1 19 19 VAL CG1 C 13 23.014 0 . 2 . . . . 80 VAL CG1 . 11060 1 188 . 1 1 19 19 VAL CG2 C 13 21.243 0 . 2 . . . . 80 VAL CG2 . 11060 1 189 . 1 1 19 19 VAL HA H 1 4.562 0 . 1 . . . . 80 VAL HA . 11060 1 190 . 1 1 19 19 VAL HB H 1 2.112 0 . 1 . . . . 80 VAL HB . 11060 1 191 . 1 1 19 19 VAL H H 1 9.568 0 . 1 . . . . 80 VAL HN . 11060 1 192 . 1 1 19 19 VAL N N 15 123.365 0 . 1 . . . . 80 VAL N . 11060 1 193 . 1 1 19 19 VAL HG11 H 1 0.963 0 . 1 . . . . 80 VAL QG1 . 11060 1 194 . 1 1 19 19 VAL HG12 H 1 0.963 0 . 1 . . . . 80 VAL QG1 . 11060 1 195 . 1 1 19 19 VAL HG13 H 1 0.963 0 . 1 . . . . 80 VAL QG1 . 11060 1 196 . 1 1 19 19 VAL HG21 H 1 0.878 0 . 1 . . . . 80 VAL QG2 . 11060 1 197 . 1 1 19 19 VAL HG22 H 1 0.878 0 . 1 . . . . 80 VAL QG2 . 11060 1 198 . 1 1 19 19 VAL HG23 H 1 0.878 0 . 1 . . . . 80 VAL QG2 . 11060 1 199 . 1 1 20 20 ILE CA C 13 60.81 0 . 1 . . . . 81 ILE CA . 11060 1 200 . 1 1 20 20 ILE CB C 13 39.198 0 . 1 . . . . 81 ILE CB . 11060 1 201 . 1 1 20 20 ILE CD1 C 13 13.505 0 . 1 . . . . 81 ILE CD1 . 11060 1 202 . 1 1 20 20 ILE CG1 C 13 28.289 0.019 . 1 . . . . 81 ILE CG1 . 11060 1 203 . 1 1 20 20 ILE CG2 C 13 17.618 0 . 1 . . . . 81 ILE CG2 . 11060 1 204 . 1 1 20 20 ILE HA H 1 4.678 0 . 1 . . . . 81 ILE HA . 11060 1 205 . 1 1 20 20 ILE HB H 1 1.813 0 . 1 . . . . 81 ILE HB . 11060 1 206 . 1 1 20 20 ILE HG12 H 1 1.662 0 . 2 . . . . 81 ILE HG12 . 11060 1 207 . 1 1 20 20 ILE HG13 H 1 1.188 0 . 2 . . . . 81 ILE HG13 . 11060 1 208 . 1 1 20 20 ILE H H 1 8.048 0 . 1 . . . . 81 ILE HN . 11060 1 209 . 1 1 20 20 ILE N N 15 122.564 0 . 1 . . . . 81 ILE N . 11060 1 210 . 1 1 20 20 ILE HD11 H 1 0.96 0 . 1 . . . . 81 ILE QD1 . 11060 1 211 . 1 1 20 20 ILE HD12 H 1 0.96 0 . 1 . . . . 81 ILE QD1 . 11060 1 212 . 1 1 20 20 ILE HD13 H 1 0.96 0 . 1 . . . . 81 ILE QD1 . 11060 1 213 . 1 1 20 20 ILE HG21 H 1 1.133 0 . 1 . . . . 81 ILE QG2 . 11060 1 214 . 1 1 20 20 ILE HG22 H 1 1.133 0 . 1 . . . . 81 ILE QG2 . 11060 1 215 . 1 1 20 20 ILE HG23 H 1 1.133 0 . 1 . . . . 81 ILE QG2 . 11060 1 216 . 1 1 21 21 CYS CB C 13 29.386 0.002 . 1 . . . . 82 CYS CB . 11060 1 217 . 1 1 21 21 CYS HA H 1 4.932 0.001 . 1 . . . . 82 CYS HA . 11060 1 218 . 1 1 21 21 CYS HB2 H 1 3.693 0 . 2 . . . . 82 CYS HB2 . 11060 1 219 . 1 1 21 21 CYS HB3 H 1 3.251 0 . 2 . . . . 82 CYS HB3 . 11060 1 220 . 1 1 21 21 CYS H H 1 8.796 0 . 1 . . . . 82 CYS HN . 11060 1 221 . 1 1 21 21 CYS N N 15 125.96 0 . 1 . . . . 82 CYS N . 11060 1 222 . 1 1 22 22 LYS CA C 13 59.33 0 . 1 . . . . 83 LYS CA . 11060 1 223 . 1 1 22 22 LYS CB C 13 33.478 0.003 . 1 . . . . 83 LYS CB . 11060 1 224 . 1 1 22 22 LYS CD C 13 29.717 0.002 . 1 . . . . 83 LYS CD . 11060 1 225 . 1 1 22 22 LYS CE C 13 41.859 0 . 1 . . . . 83 LYS CE . 11060 1 226 . 1 1 22 22 LYS CG C 13 24.594 0.006 . 1 . . . . 83 LYS CG . 11060 1 227 . 1 1 22 22 LYS HA H 1 4.096 0 . 1 . . . . 83 LYS HA . 11060 1 228 . 1 1 22 22 LYS HB2 H 1 1.693 0 . 2 . . . . 83 LYS HB2 . 11060 1 229 . 1 1 22 22 LYS HB3 H 1 1.313 0 . 2 . . . . 83 LYS HB3 . 11060 1 230 . 1 1 22 22 LYS HD2 H 1 1.767 0 . 2 . . . . 83 LYS HD2 . 11060 1 231 . 1 1 22 22 LYS HD3 H 1 1.689 0 . 2 . . . . 83 LYS HD3 . 11060 1 232 . 1 1 22 22 LYS HG2 H 1 1.594 0 . 2 . . . . 83 LYS HG2 . 11060 1 233 . 1 1 22 22 LYS HG3 H 1 1.523 0 . 2 . . . . 83 LYS HG3 . 11060 1 234 . 1 1 22 22 LYS H H 1 8.735 0 . 1 . . . . 83 LYS HN . 11060 1 235 . 1 1 22 22 LYS N N 15 123.785 0 . 1 . . . . 83 LYS N . 11060 1 236 . 1 1 22 22 LYS HE2 H 1 3.085 0 . 2 . . . . 83 LYS QE . 11060 1 237 . 1 1 23 23 ASP CA C 13 53.011 0 . 1 . . . . 84 ASP CA . 11060 1 238 . 1 1 23 23 ASP CB C 13 38.642 0.01 . 1 . . . . 84 ASP CB . 11060 1 239 . 1 1 23 23 ASP HA H 1 4.694 0 . 1 . . . . 84 ASP HA . 11060 1 240 . 1 1 23 23 ASP HB2 H 1 3.15 0 . 2 . . . . 84 ASP HB2 . 11060 1 241 . 1 1 23 23 ASP HB3 H 1 2.733 0 . 2 . . . . 84 ASP HB3 . 11060 1 242 . 1 1 23 23 ASP H H 1 8.667 0 . 1 . . . . 84 ASP HN . 11060 1 243 . 1 1 23 23 ASP N N 15 112.676 0 . 1 . . . . 84 ASP N . 11060 1 244 . 1 1 24 24 ASN CA C 13 54.989 0 . 1 . . . . 85 ASN CA . 11060 1 245 . 1 1 24 24 ASN CB C 13 36.698 0.004 . 1 . . . . 85 ASN CB . 11060 1 246 . 1 1 24 24 ASN HA H 1 4.321 0 . 1 . . . . 85 ASN HA . 11060 1 247 . 1 1 24 24 ASN HB2 H 1 3.169 0 . 2 . . . . 85 ASN HB2 . 11060 1 248 . 1 1 24 24 ASN HB3 H 1 3.061 0 . 2 . . . . 85 ASN HB3 . 11060 1 249 . 1 1 24 24 ASN HD21 H 1 7.597 0 . 2 . . . . 85 ASN HD21 . 11060 1 250 . 1 1 24 24 ASN HD22 H 1 6.887 0 . 2 . . . . 85 ASN HD22 . 11060 1 251 . 1 1 24 24 ASN H H 1 8.264 0 . 1 . . . . 85 ASN HN . 11060 1 252 . 1 1 24 24 ASN N N 15 112.321 0 . 1 . . . . 85 ASN N . 11060 1 253 . 1 1 24 24 ASN ND2 N 15 112.606 0 . 1 . . . . 85 ASN ND2 . 11060 1 254 . 1 1 25 25 VAL CA C 13 61.92 0 . 1 . . . . 86 VAL CA . 11060 1 255 . 1 1 25 25 VAL CB C 13 33.581 0 . 1 . . . . 86 VAL CB . 11060 1 256 . 1 1 25 25 VAL CG1 C 13 22.057 0 . 2 . . . . 86 VAL CG1 . 11060 1 257 . 1 1 25 25 VAL CG2 C 13 21.279 0 . 2 . . . . 86 VAL CG2 . 11060 1 258 . 1 1 25 25 VAL HA H 1 4.247 0 . 1 . . . . 86 VAL HA . 11060 1 259 . 1 1 25 25 VAL HB H 1 1.97 0 . 1 . . . . 86 VAL HB . 11060 1 260 . 1 1 25 25 VAL H H 1 6.817 0 . 1 . . . . 86 VAL HN . 11060 1 261 . 1 1 25 25 VAL N N 15 117.663 0 . 1 . . . . 86 VAL N . 11060 1 262 . 1 1 25 25 VAL HG11 H 1 1.102 0 . 1 . . . . 86 VAL QG1 . 11060 1 263 . 1 1 25 25 VAL HG12 H 1 1.102 0 . 1 . . . . 86 VAL QG1 . 11060 1 264 . 1 1 25 25 VAL HG13 H 1 1.102 0 . 1 . . . . 86 VAL QG1 . 11060 1 265 . 1 1 25 25 VAL HG21 H 1 0.989 0 . 1 . . . . 86 VAL QG2 . 11060 1 266 . 1 1 25 25 VAL HG22 H 1 0.989 0 . 1 . . . . 86 VAL QG2 . 11060 1 267 . 1 1 25 25 VAL HG23 H 1 0.989 0 . 1 . . . . 86 VAL QG2 . 11060 1 268 . 1 1 26 26 VAL CA C 13 62.127 0 . 1 . . . . 87 VAL CA . 11060 1 269 . 1 1 26 26 VAL CB C 13 32.468 0 . 1 . . . . 87 VAL CB . 11060 1 270 . 1 1 26 26 VAL CG1 C 13 21.795 0 . 2 . . . . 87 VAL CG1 . 11060 1 271 . 1 1 26 26 VAL CG2 C 13 21.591 0 . 2 . . . . 87 VAL CG2 . 11060 1 272 . 1 1 26 26 VAL HA H 1 4.71 0 . 1 . . . . 87 VAL HA . 11060 1 273 . 1 1 26 26 VAL HB H 1 2.025 0 . 1 . . . . 87 VAL HB . 11060 1 274 . 1 1 26 26 VAL H H 1 8.467 0 . 1 . . . . 87 VAL HN . 11060 1 275 . 1 1 26 26 VAL N N 15 128.149 0 . 1 . . . . 87 VAL N . 11060 1 276 . 1 1 26 26 VAL HG11 H 1 1.036 0 . 1 . . . . 87 VAL QG1 . 11060 1 277 . 1 1 26 26 VAL HG12 H 1 1.036 0 . 1 . . . . 87 VAL QG1 . 11060 1 278 . 1 1 26 26 VAL HG13 H 1 1.036 0 . 1 . . . . 87 VAL QG1 . 11060 1 279 . 1 1 26 26 VAL HG21 H 1 0.909 0 . 1 . . . . 87 VAL QG2 . 11060 1 280 . 1 1 26 26 VAL HG22 H 1 0.909 0 . 1 . . . . 87 VAL QG2 . 11060 1 281 . 1 1 26 26 VAL HG23 H 1 0.909 0 . 1 . . . . 87 VAL QG2 . 11060 1 282 . 1 1 27 27 VAL CA C 13 58.409 0 . 1 . . . . 88 VAL CA . 11060 1 283 . 1 1 27 27 VAL CB C 13 34.991 0 . 1 . . . . 88 VAL CB . 11060 1 284 . 1 1 27 27 VAL CG1 C 13 17.276 0 . 2 . . . . 88 VAL CG1 . 11060 1 285 . 1 1 27 27 VAL CG2 C 13 20.703 0 . 2 . . . . 88 VAL CG2 . 11060 1 286 . 1 1 27 27 VAL HA H 1 4.995 0 . 1 . . . . 88 VAL HA . 11060 1 287 . 1 1 27 27 VAL HB H 1 1.849 0 . 1 . . . . 88 VAL HB . 11060 1 288 . 1 1 27 27 VAL H H 1 8.983 0 . 1 . . . . 88 VAL HN . 11060 1 289 . 1 1 27 27 VAL N N 15 119.421 0 . 1 . . . . 88 VAL N . 11060 1 290 . 1 1 27 27 VAL HG11 H 1 0.82 0 . 1 . . . . 88 VAL QG1 . 11060 1 291 . 1 1 27 27 VAL HG12 H 1 0.82 0 . 1 . . . . 88 VAL QG1 . 11060 1 292 . 1 1 27 27 VAL HG13 H 1 0.82 0 . 1 . . . . 88 VAL QG1 . 11060 1 293 . 1 1 27 27 VAL HG21 H 1 0.809 0 . 1 . . . . 88 VAL QG2 . 11060 1 294 . 1 1 27 27 VAL HG22 H 1 0.809 0 . 1 . . . . 88 VAL QG2 . 11060 1 295 . 1 1 27 27 VAL HG23 H 1 0.809 0 . 1 . . . . 88 VAL QG2 . 11060 1 296 . 1 1 28 28 THR CA C 13 62.18 0 . 1 . . . . 89 THR CA . 11060 1 297 . 1 1 28 28 THR CB C 13 69.351 0 . 1 . . . . 89 THR CB . 11060 1 298 . 1 1 28 28 THR CG2 C 13 21.631 0 . 1 . . . . 89 THR CG2 . 11060 1 299 . 1 1 28 28 THR HA H 1 5.249 0 . 1 . . . . 89 THR HA . 11060 1 300 . 1 1 28 28 THR HB H 1 4.053 0 . 1 . . . . 89 THR HB . 11060 1 301 . 1 1 28 28 THR H H 1 8.544 0 . 1 . . . . 89 THR HN . 11060 1 302 . 1 1 28 28 THR N N 15 118.81 0 . 1 . . . . 89 THR N . 11060 1 303 . 1 1 28 28 THR HG21 H 1 1.159 0 . 1 . . . . 89 THR QG2 . 11060 1 304 . 1 1 28 28 THR HG22 H 1 1.159 0 . 1 . . . . 89 THR QG2 . 11060 1 305 . 1 1 28 28 THR HG23 H 1 1.159 0 . 1 . . . . 89 THR QG2 . 11060 1 306 . 1 1 29 29 VAL CA C 13 58.826 0 . 1 . . . . 90 VAL CA . 11060 1 307 . 1 1 29 29 VAL CB C 13 36.035 0 . 1 . . . . 90 VAL CB . 11060 1 308 . 1 1 29 29 VAL CG1 C 13 21.734 0 . 2 . . . . 90 VAL CG1 . 11060 1 309 . 1 1 29 29 VAL CG2 C 13 21.734 0 . 2 . . . . 90 VAL CG2 . 11060 1 310 . 1 1 29 29 VAL HA H 1 5.527 0 . 1 . . . . 90 VAL HA . 11060 1 311 . 1 1 29 29 VAL HB H 1 1.989 0 . 1 . . . . 90 VAL HB . 11060 1 312 . 1 1 29 29 VAL H H 1 8.818 0 . 1 . . . . 90 VAL HN . 11060 1 313 . 1 1 29 29 VAL N N 15 123.67 0 . 1 . . . . 90 VAL N . 11060 1 314 . 1 1 29 29 VAL HG11 H 1 1.061 0 . 1 . . . . 90 VAL QQG . 11060 1 315 . 1 1 29 29 VAL HG12 H 1 1.061 0 . 1 . . . . 90 VAL QQG . 11060 1 316 . 1 1 29 29 VAL HG13 H 1 1.061 0 . 1 . . . . 90 VAL QQG . 11060 1 317 . 1 1 29 29 VAL HG21 H 1 1.061 0 . 1 . . . . 90 VAL QG2 . 11060 1 318 . 1 1 29 29 VAL HG22 H 1 1.061 0 . 1 . . . . 90 VAL QG2 . 11060 1 319 . 1 1 29 29 VAL HG23 H 1 1.061 0 . 1 . . . . 90 VAL QG2 . 11060 1 320 . 1 1 30 30 ASP CA C 13 52.821 0 . 1 . . . . 91 ASP CA . 11060 1 321 . 1 1 30 30 ASP CB C 13 42.96 0.001 . 1 . . . . 91 ASP CB . 11060 1 322 . 1 1 30 30 ASP HA H 1 4.785 0 . 1 . . . . 91 ASP HA . 11060 1 323 . 1 1 30 30 ASP HB2 H 1 3.325 0 . 2 . . . . 91 ASP HB2 . 11060 1 324 . 1 1 30 30 ASP HB3 H 1 2.52 0 . 2 . . . . 91 ASP HB3 . 11060 1 325 . 1 1 30 30 ASP H H 1 8.478 0 . 1 . . . . 91 ASP HN . 11060 1 326 . 1 1 30 30 ASP N N 15 125.411 0 . 1 . . . . 91 ASP N . 11060 1 327 . 1 1 31 31 ALA CA C 13 51.718 0 . 1 . . . . 92 ALA CA . 11060 1 328 . 1 1 31 31 ALA CB C 13 22.216 0 . 1 . . . . 92 ALA CB . 11060 1 329 . 1 1 31 31 ALA HA H 1 5.268 0 . 1 . . . . 92 ALA HA . 11060 1 330 . 1 1 31 31 ALA H H 1 8.075 0 . 1 . . . . 92 ALA HN . 11060 1 331 . 1 1 31 31 ALA N N 15 116.806 0 . 1 . . . . 92 ALA N . 11060 1 332 . 1 1 31 31 ALA HB1 H 1 1.239 0 . 1 . . . . 92 ALA QB . 11060 1 333 . 1 1 31 31 ALA HB2 H 1 1.239 0 . 1 . . . . 92 ALA QB . 11060 1 334 . 1 1 31 31 ALA HB3 H 1 1.239 0 . 1 . . . . 92 ALA QB . 11060 1 335 . 1 1 32 32 VAL CB C 13 34.772 0 . 1 . . . . 93 VAL CB . 11060 1 336 . 1 1 32 32 VAL CG1 C 13 21.011 0 . 2 . . . . 93 VAL CG1 . 11060 1 337 . 1 1 32 32 VAL CG2 C 13 22.162 0 . 2 . . . . 93 VAL CG2 . 11060 1 338 . 1 1 32 32 VAL HA H 1 4.901 0 . 1 . . . . 93 VAL HA . 11060 1 339 . 1 1 32 32 VAL HB H 1 1.898 0 . 1 . . . . 93 VAL HB . 11060 1 340 . 1 1 32 32 VAL H H 1 8.306 0 . 1 . . . . 93 VAL HN . 11060 1 341 . 1 1 32 32 VAL N N 15 117.482 0 . 1 . . . . 93 VAL N . 11060 1 342 . 1 1 32 32 VAL HG11 H 1 1.002 0 . 1 . . . . 93 VAL QG1 . 11060 1 343 . 1 1 32 32 VAL HG12 H 1 1.002 0 . 1 . . . . 93 VAL QG1 . 11060 1 344 . 1 1 32 32 VAL HG13 H 1 1.002 0 . 1 . . . . 93 VAL QG1 . 11060 1 345 . 1 1 32 32 VAL HG21 H 1 0.756 0 . 1 . . . . 93 VAL QG2 . 11060 1 346 . 1 1 32 32 VAL HG22 H 1 0.756 0 . 1 . . . . 93 VAL QG2 . 11060 1 347 . 1 1 32 32 VAL HG23 H 1 0.756 0 . 1 . . . . 93 VAL QG2 . 11060 1 348 . 1 1 33 33 VAL CA C 13 61.058 0 . 1 . . . . 94 VAL CA . 11060 1 349 . 1 1 33 33 VAL CB C 13 34.773 0 . 1 . . . . 94 VAL CB . 11060 1 350 . 1 1 33 33 VAL CG1 C 13 21.926 0 . 2 . . . . 94 VAL CG1 . 11060 1 351 . 1 1 33 33 VAL CG2 C 13 20.939 0 . 2 . . . . 94 VAL CG2 . 11060 1 352 . 1 1 33 33 VAL HA H 1 4.515 0 . 1 . . . . 94 VAL HA . 11060 1 353 . 1 1 33 33 VAL HB H 1 2.013 0 . 1 . . . . 94 VAL HB . 11060 1 354 . 1 1 33 33 VAL H H 1 8.873 0 . 1 . . . . 94 VAL HN . 11060 1 355 . 1 1 33 33 VAL N N 15 124.653 0 . 1 . . . . 94 VAL N . 11060 1 356 . 1 1 33 33 VAL HG11 H 1 1.076 0 . 1 . . . . 94 VAL QG1 . 11060 1 357 . 1 1 33 33 VAL HG12 H 1 1.076 0 . 1 . . . . 94 VAL QG1 . 11060 1 358 . 1 1 33 33 VAL HG13 H 1 1.076 0 . 1 . . . . 94 VAL QG1 . 11060 1 359 . 1 1 33 33 VAL HG21 H 1 0.83 0 . 1 . . . . 94 VAL QG2 . 11060 1 360 . 1 1 33 33 VAL HG22 H 1 0.83 0 . 1 . . . . 94 VAL QG2 . 11060 1 361 . 1 1 33 33 VAL HG23 H 1 0.83 0 . 1 . . . . 94 VAL QG2 . 11060 1 362 . 1 1 34 34 TYR CA C 13 56.333 0 . 1 . . . . 95 TYR CA . 11060 1 363 . 1 1 34 34 TYR CB C 13 40.336 0.005 . 1 . . . . 95 TYR CB . 11060 1 364 . 1 1 34 34 TYR CD1 C 13 133.309 0 . 3 . . . . 95 TYR CD1 . 11060 1 365 . 1 1 34 34 TYR CE1 C 13 117.864 0 . 3 . . . . 95 TYR CE1 . 11060 1 366 . 1 1 34 34 TYR HA H 1 5.834 0 . 1 . . . . 95 TYR HA . 11060 1 367 . 1 1 34 34 TYR HB2 H 1 3.178 0 . 2 . . . . 95 TYR HB2 . 11060 1 368 . 1 1 34 34 TYR HB3 H 1 2.777 0 . 2 . . . . 95 TYR HB3 . 11060 1 369 . 1 1 34 34 TYR HD1 H 1 6.874 0 . 3 . . . . 95 TYR QD . 11060 1 370 . 1 1 34 34 TYR HE1 H 1 6.604 0 . 3 . . . . 95 TYR QE . 11060 1 371 . 1 1 34 34 TYR H H 1 8.989 0 . 1 . . . . 95 TYR HN . 11060 1 372 . 1 1 34 34 TYR N N 15 126.081 0 . 1 . . . . 95 TYR N . 11060 1 373 . 1 1 34 34 TYR CD2 C 13 133.309 0 . 3 . . . . 95 TYR CD2 . 11060 1 374 . 1 1 34 34 TYR CE2 C 13 117.864 0 . 3 . . . . 95 TYR CE2 . 11060 1 375 . 1 1 35 35 TYR CA C 13 55.679 0 . 1 . . . . 96 TYR CA . 11060 1 376 . 1 1 35 35 TYR CB C 13 42.824 0.005 . 1 . . . . 96 TYR CB . 11060 1 377 . 1 1 35 35 TYR CD1 C 13 133.127 0 . 3 . . . . 96 TYR CD1 . 11060 1 378 . 1 1 35 35 TYR CE1 C 13 117.811 0 . 3 . . . . 96 TYR CE1 . 11060 1 379 . 1 1 35 35 TYR HA H 1 6.097 0 . 1 . . . . 96 TYR HA . 11060 1 380 . 1 1 35 35 TYR HB2 H 1 3.124 0 . 2 . . . . 96 TYR HB2 . 11060 1 381 . 1 1 35 35 TYR HB3 H 1 2.843 0 . 2 . . . . 96 TYR HB3 . 11060 1 382 . 1 1 35 35 TYR HD1 H 1 6.862 0 . 3 . . . . 96 TYR QD . 11060 1 383 . 1 1 35 35 TYR HE1 H 1 6.584 0 . 3 . . . . 96 TYR QE . 11060 1 384 . 1 1 35 35 TYR H H 1 9.102 0 . 1 . . . . 96 TYR HN . 11060 1 385 . 1 1 35 35 TYR N N 15 117.188 0 . 1 . . . . 96 TYR N . 11060 1 386 . 1 1 35 35 TYR CD2 C 13 133.127 0 . 3 . . . . 96 TYR CD2 . 11060 1 387 . 1 1 35 35 TYR CE2 C 13 117.811 0 . 3 . . . . 96 TYR CE2 . 11060 1 388 . 1 1 36 36 GLN CB C 13 33.643 0 . 1 . . . . 97 GLN CB . 11060 1 389 . 1 1 36 36 GLN CG C 13 33.687 0.012 . 1 . . . . 97 GLN CG . 11060 1 390 . 1 1 36 36 GLN HA H 1 4.942 0.001 . 1 . . . . 97 GLN HA . 11060 1 391 . 1 1 36 36 GLN HE21 H 1 7.273 0 . 2 . . . . 97 GLN HE21 . 11060 1 392 . 1 1 36 36 GLN HE22 H 1 6.765 0 . 2 . . . . 97 GLN HE22 . 11060 1 393 . 1 1 36 36 GLN HG2 H 1 2.324 0 . 2 . . . . 97 GLN HG2 . 11060 1 394 . 1 1 36 36 GLN HG3 H 1 2.259 0 . 2 . . . . 97 GLN HG3 . 11060 1 395 . 1 1 36 36 GLN H H 1 9.441 0 . 1 . . . . 97 GLN HN . 11060 1 396 . 1 1 36 36 GLN N N 15 118 0 . 1 . . . . 97 GLN N . 11060 1 397 . 1 1 36 36 GLN NE2 N 15 110.209 0.001 . 1 . . . . 97 GLN NE2 . 11060 1 398 . 1 1 36 36 GLN HB2 H 1 1.978 0 . 2 . . . . 97 GLN QB . 11060 1 399 . 1 1 37 37 VAL CA C 13 63.621 0 . 1 . . . . 98 VAL CA . 11060 1 400 . 1 1 37 37 VAL CB C 13 31.38 0 . 1 . . . . 98 VAL CB . 11060 1 401 . 1 1 37 37 VAL CG1 C 13 21.391 0 . 2 . . . . 98 VAL CG1 . 11060 1 402 . 1 1 37 37 VAL CG2 C 13 21.341 0 . 2 . . . . 98 VAL CG2 . 11060 1 403 . 1 1 37 37 VAL HA H 1 4.286 0 . 1 . . . . 98 VAL HA . 11060 1 404 . 1 1 37 37 VAL HB H 1 2.347 0 . 1 . . . . 98 VAL HB . 11060 1 405 . 1 1 37 37 VAL H H 1 9.692 0 . 1 . . . . 98 VAL HN . 11060 1 406 . 1 1 37 37 VAL N N 15 126.436 0 . 1 . . . . 98 VAL N . 11060 1 407 . 1 1 37 37 VAL HG11 H 1 1.16 0 . 1 . . . . 98 VAL QG1 . 11060 1 408 . 1 1 37 37 VAL HG12 H 1 1.16 0 . 1 . . . . 98 VAL QG1 . 11060 1 409 . 1 1 37 37 VAL HG13 H 1 1.16 0 . 1 . . . . 98 VAL QG1 . 11060 1 410 . 1 1 37 37 VAL HG21 H 1 0.933 0 . 1 . . . . 98 VAL QG2 . 11060 1 411 . 1 1 37 37 VAL HG22 H 1 0.933 0 . 1 . . . . 98 VAL QG2 . 11060 1 412 . 1 1 37 37 VAL HG23 H 1 0.933 0 . 1 . . . . 98 VAL QG2 . 11060 1 413 . 1 1 38 38 ILE CA C 13 61.011 0 . 1 . . . . 99 ILE CA . 11060 1 414 . 1 1 38 38 ILE CB C 13 38.943 0 . 1 . . . . 99 ILE CB . 11060 1 415 . 1 1 38 38 ILE CD1 C 13 12.972 0 . 1 . . . . 99 ILE CD1 . 11060 1 416 . 1 1 38 38 ILE CG1 C 13 27.101 0.012 . 1 . . . . 99 ILE CG1 . 11060 1 417 . 1 1 38 38 ILE CG2 C 13 18.499 0 . 1 . . . . 99 ILE CG2 . 11060 1 418 . 1 1 38 38 ILE HA H 1 4.514 0 . 1 . . . . 99 ILE HA . 11060 1 419 . 1 1 38 38 ILE HB H 1 2.02 0 . 1 . . . . 99 ILE HB . 11060 1 420 . 1 1 38 38 ILE HG12 H 1 1.367 0 . 2 . . . . 99 ILE HG12 . 11060 1 421 . 1 1 38 38 ILE HG13 H 1 1.156 0 . 2 . . . . 99 ILE HG13 . 11060 1 422 . 1 1 38 38 ILE H H 1 8.54 0 . 1 . . . . 99 ILE HN . 11060 1 423 . 1 1 38 38 ILE N N 15 123.48 0 . 1 . . . . 99 ILE N . 11060 1 424 . 1 1 38 38 ILE HD11 H 1 0.909 0 . 1 . . . . 99 ILE QD1 . 11060 1 425 . 1 1 38 38 ILE HD12 H 1 0.909 0 . 1 . . . . 99 ILE QD1 . 11060 1 426 . 1 1 38 38 ILE HD13 H 1 0.909 0 . 1 . . . . 99 ILE QD1 . 11060 1 427 . 1 1 38 38 ILE HG21 H 1 0.979 0 . 1 . . . . 99 ILE QG2 . 11060 1 428 . 1 1 38 38 ILE HG22 H 1 0.979 0 . 1 . . . . 99 ILE QG2 . 11060 1 429 . 1 1 38 38 ILE HG23 H 1 0.979 0 . 1 . . . . 99 ILE QG2 . 11060 1 430 . 1 1 39 39 ASP CA C 13 50.85 0 . 1 . . . . 100 ASP CA . 11060 1 431 . 1 1 39 39 ASP CB C 13 41.979 0 . 1 . . . . 100 ASP CB . 11060 1 432 . 1 1 39 39 ASP HA H 1 5.326 0 . 1 . . . . 100 ASP HA . 11060 1 433 . 1 1 39 39 ASP HB2 H 1 3.056 0 . 2 . . . . 100 ASP HB2 . 11060 1 434 . 1 1 39 39 ASP HB3 H 1 2.645 0 . 2 . . . . 100 ASP HB3 . 11060 1 435 . 1 1 39 39 ASP H H 1 8.135 0 . 1 . . . . 100 ASP HN . 11060 1 436 . 1 1 39 39 ASP N N 15 119.056 0 . 1 . . . . 100 ASP N . 11060 1 437 . 1 1 40 40 PRO CA C 13 64.279 0 . 1 . . . . 101 PRO CA . 11060 1 438 . 1 1 40 40 PRO CB C 13 32.51 0.006 . 1 . . . . 101 PRO CB . 11060 1 439 . 1 1 40 40 PRO CD C 13 50.865 0.001 . 1 . . . . 101 PRO CD . 11060 1 440 . 1 1 40 40 PRO CG C 13 27.062 0.045 . 1 . . . . 101 PRO CG . 11060 1 441 . 1 1 40 40 PRO HA H 1 4.299 0 . 1 . . . . 101 PRO HA . 11060 1 442 . 1 1 40 40 PRO HB2 H 1 2.447 0 . 2 . . . . 101 PRO HB2 . 11060 1 443 . 1 1 40 40 PRO HB3 H 1 2.155 0 . 2 . . . . 101 PRO HB3 . 11060 1 444 . 1 1 40 40 PRO HD2 H 1 4.138 0 . 2 . . . . 101 PRO HD2 . 11060 1 445 . 1 1 40 40 PRO HD3 H 1 3.698 0 . 2 . . . . 101 PRO HD3 . 11060 1 446 . 1 1 40 40 PRO HG2 H 1 2.204 0 . 2 . . . . 101 PRO HG2 . 11060 1 447 . 1 1 40 40 PRO HG3 H 1 2.133 0 . 2 . . . . 101 PRO HG3 . 11060 1 448 . 1 1 41 41 VAL CA C 13 65.12 0 . 1 . . . . 102 VAL CA . 11060 1 449 . 1 1 41 41 VAL CB C 13 31.406 0 . 1 . . . . 102 VAL CB . 11060 1 450 . 1 1 41 41 VAL CG1 C 13 22.44 0 . 2 . . . . 102 VAL CG1 . 11060 1 451 . 1 1 41 41 VAL CG2 C 13 21.081 0 . 2 . . . . 102 VAL CG2 . 11060 1 452 . 1 1 41 41 VAL HA H 1 3.886 0 . 1 . . . . 102 VAL HA . 11060 1 453 . 1 1 41 41 VAL HB H 1 2.388 0 . 1 . . . . 102 VAL HB . 11060 1 454 . 1 1 41 41 VAL H H 1 7.936 0 . 1 . . . . 102 VAL HN . 11060 1 455 . 1 1 41 41 VAL N N 15 118.168 0 . 1 . . . . 102 VAL N . 11060 1 456 . 1 1 41 41 VAL HG11 H 1 1.134 0 . 1 . . . . 102 VAL QG1 . 11060 1 457 . 1 1 41 41 VAL HG12 H 1 1.134 0 . 1 . . . . 102 VAL QG1 . 11060 1 458 . 1 1 41 41 VAL HG13 H 1 1.134 0 . 1 . . . . 102 VAL QG1 . 11060 1 459 . 1 1 41 41 VAL HG21 H 1 1.051 0 . 1 . . . . 102 VAL QG2 . 11060 1 460 . 1 1 41 41 VAL HG22 H 1 1.051 0 . 1 . . . . 102 VAL QG2 . 11060 1 461 . 1 1 41 41 VAL HG23 H 1 1.051 0 . 1 . . . . 102 VAL QG2 . 11060 1 462 . 1 1 42 42 LYS CA C 13 57.852 0 . 1 . . . . 103 LYS CA . 11060 1 463 . 1 1 42 42 LYS CB C 13 33.597 0.002 . 1 . . . . 103 LYS CB . 11060 1 464 . 1 1 42 42 LYS CD C 13 29.627 0 . 1 . . . . 103 LYS CD . 11060 1 465 . 1 1 42 42 LYS CE C 13 41.745 0 . 1 . . . . 103 LYS CE . 11060 1 466 . 1 1 42 42 LYS CG C 13 25.865 0.015 . 1 . . . . 103 LYS CG . 11060 1 467 . 1 1 42 42 LYS HA H 1 4.242 0 . 1 . . . . 103 LYS HA . 11060 1 468 . 1 1 42 42 LYS HB2 H 1 1.919 0 . 2 . . . . 103 LYS HB2 . 11060 1 469 . 1 1 42 42 LYS HB3 H 1 1.69 0 . 2 . . . . 103 LYS HB3 . 11060 1 470 . 1 1 42 42 LYS HG2 H 1 1.598 0 . 2 . . . . 103 LYS HG2 . 11060 1 471 . 1 1 42 42 LYS HG3 H 1 1.444 0 . 2 . . . . 103 LYS HG3 . 11060 1 472 . 1 1 42 42 LYS H H 1 7.24 0 . 1 . . . . 103 LYS HN . 11060 1 473 . 1 1 42 42 LYS N N 15 118.28 0 . 1 . . . . 103 LYS N . 11060 1 474 . 1 1 42 42 LYS HD2 H 1 1.699 0 . 2 . . . . 103 LYS QD . 11060 1 475 . 1 1 42 42 LYS HE2 H 1 3.087 0 . 2 . . . . 103 LYS QE . 11060 1 476 . 1 1 43 43 ALA CA C 13 53.615 0 . 1 . . . . 104 ALA CA . 11060 1 477 . 1 1 43 43 ALA CB C 13 18.578 0 . 1 . . . . 104 ALA CB . 11060 1 478 . 1 1 43 43 ALA HA H 1 4.632 0 . 1 . . . . 104 ALA HA . 11060 1 479 . 1 1 43 43 ALA H H 1 7.702 0 . 1 . . . . 104 ALA HN . 11060 1 480 . 1 1 43 43 ALA N N 15 122.122 0 . 1 . . . . 104 ALA N . 11060 1 481 . 1 1 43 43 ALA HB1 H 1 1.432 0 . 1 . . . . 104 ALA QB . 11060 1 482 . 1 1 43 43 ALA HB2 H 1 1.432 0 . 1 . . . . 104 ALA QB . 11060 1 483 . 1 1 43 43 ALA HB3 H 1 1.432 0 . 1 . . . . 104 ALA QB . 11060 1 484 . 1 1 44 44 VAL CA C 13 62.53 0 . 1 . . . . 105 VAL CA . 11060 1 485 . 1 1 44 44 VAL CB C 13 31.68 0 . 1 . . . . 105 VAL CB . 11060 1 486 . 1 1 44 44 VAL CG1 C 13 20.103 0 . 2 . . . . 105 VAL CG1 . 11060 1 487 . 1 1 44 44 VAL CG2 C 13 20.967 0 . 2 . . . . 105 VAL CG2 . 11060 1 488 . 1 1 44 44 VAL HA H 1 4.197 0 . 1 . . . . 105 VAL HA . 11060 1 489 . 1 1 44 44 VAL HB H 1 2.23 0 . 1 . . . . 105 VAL HB . 11060 1 490 . 1 1 44 44 VAL H H 1 7.682 0 . 1 . . . . 105 VAL HN . 11060 1 491 . 1 1 44 44 VAL N N 15 115.037 0 . 1 . . . . 105 VAL N . 11060 1 492 . 1 1 44 44 VAL HG11 H 1 0.958 0 . 1 . . . . 105 VAL QG1 . 11060 1 493 . 1 1 44 44 VAL HG12 H 1 0.958 0 . 1 . . . . 105 VAL QG1 . 11060 1 494 . 1 1 44 44 VAL HG13 H 1 0.958 0 . 1 . . . . 105 VAL QG1 . 11060 1 495 . 1 1 44 44 VAL HG21 H 1 0.87 0 . 1 . . . . 105 VAL QG2 . 11060 1 496 . 1 1 44 44 VAL HG22 H 1 0.87 0 . 1 . . . . 105 VAL QG2 . 11060 1 497 . 1 1 44 44 VAL HG23 H 1 0.87 0 . 1 . . . . 105 VAL QG2 . 11060 1 498 . 1 1 45 45 TYR CA C 13 57.222 0 . 1 . . . . 106 TYR CA . 11060 1 499 . 1 1 45 45 TYR CB C 13 38.651 0 . 1 . . . . 106 TYR CB . 11060 1 500 . 1 1 45 45 TYR CD1 C 13 133.093 0 . 3 . . . . 106 TYR CD1 . 11060 1 501 . 1 1 45 45 TYR CE1 C 13 118.058 0 . 3 . . . . 106 TYR CE1 . 11060 1 502 . 1 1 45 45 TYR HA H 1 4.652 0 . 1 . . . . 106 TYR HA . 11060 1 503 . 1 1 45 45 TYR HD1 H 1 7.06 0 . 3 . . . . 106 TYR QD . 11060 1 504 . 1 1 45 45 TYR HE1 H 1 6.774 0 . 3 . . . . 106 TYR QE . 11060 1 505 . 1 1 45 45 TYR H H 1 7.436 0 . 1 . . . . 106 TYR HN . 11060 1 506 . 1 1 45 45 TYR N N 15 118.804 0 . 1 . . . . 106 TYR N . 11060 1 507 . 1 1 45 45 TYR HB2 H 1 3.062 0 . 2 . . . . 106 TYR QB . 11060 1 508 . 1 1 45 45 TYR CD2 C 13 133.093 0 . 3 . . . . 106 TYR CD2 . 11060 1 509 . 1 1 45 45 TYR CE2 C 13 118.058 0 . 3 . . . . 106 TYR CE2 . 11060 1 510 . 1 1 46 46 ASN CB C 13 39.028 0.002 . 1 . . . . 107 ASN CB . 11060 1 511 . 1 1 46 46 ASN HA H 1 4.959 0.001 . 1 . . . . 107 ASN HA . 11060 1 512 . 1 1 46 46 ASN HB2 H 1 3.145 0 . 2 . . . . 107 ASN HB2 . 11060 1 513 . 1 1 46 46 ASN HB3 H 1 3.034 0 . 2 . . . . 107 ASN HB3 . 11060 1 514 . 1 1 46 46 ASN HD21 H 1 7.778 0 . 2 . . . . 107 ASN HD21 . 11060 1 515 . 1 1 46 46 ASN HD22 H 1 7.126 0 . 2 . . . . 107 ASN HD22 . 11060 1 516 . 1 1 46 46 ASN H H 1 8.614 0 . 1 . . . . 107 ASN HN . 11060 1 517 . 1 1 46 46 ASN N N 15 118.495 0 . 1 . . . . 107 ASN N . 11060 1 518 . 1 1 46 46 ASN ND2 N 15 112.638 0.002 . 1 . . . . 107 ASN ND2 . 11060 1 519 . 1 1 47 47 VAL CA C 13 65.178 0 . 1 . . . . 108 VAL CA . 11060 1 520 . 1 1 47 47 VAL CB C 13 32.022 0 . 1 . . . . 108 VAL CB . 11060 1 521 . 1 1 47 47 VAL CG1 C 13 21.838 0 . 2 . . . . 108 VAL CG1 . 11060 1 522 . 1 1 47 47 VAL CG2 C 13 20.377 0 . 2 . . . . 108 VAL CG2 . 11060 1 523 . 1 1 47 47 VAL HA H 1 3.952 0 . 1 . . . . 108 VAL HA . 11060 1 524 . 1 1 47 47 VAL HB H 1 2.086 0 . 1 . . . . 108 VAL HB . 11060 1 525 . 1 1 47 47 VAL H H 1 8.342 0 . 1 . . . . 108 VAL HN . 11060 1 526 . 1 1 47 47 VAL N N 15 123.377 0 . 1 . . . . 108 VAL N . 11060 1 527 . 1 1 47 47 VAL HG11 H 1 1.025 0 . 1 . . . . 108 VAL QG1 . 11060 1 528 . 1 1 47 47 VAL HG12 H 1 1.025 0 . 1 . . . . 108 VAL QG1 . 11060 1 529 . 1 1 47 47 VAL HG13 H 1 1.025 0 . 1 . . . . 108 VAL QG1 . 11060 1 530 . 1 1 47 47 VAL HG21 H 1 0.98 0 . 1 . . . . 108 VAL QG2 . 11060 1 531 . 1 1 47 47 VAL HG22 H 1 0.98 0 . 1 . . . . 108 VAL QG2 . 11060 1 532 . 1 1 47 47 VAL HG23 H 1 0.98 0 . 1 . . . . 108 VAL QG2 . 11060 1 533 . 1 1 48 48 SER CA C 13 61.473 0 . 1 . . . . 109 SER CA . 11060 1 534 . 1 1 48 48 SER CB C 13 62.248 0 . 1 . . . . 109 SER CB . 11060 1 535 . 1 1 48 48 SER HA H 1 4.298 0 . 1 . . . . 109 SER HA . 11060 1 536 . 1 1 48 48 SER H H 1 8.353 0 . 1 . . . . 109 SER HN . 11060 1 537 . 1 1 48 48 SER N N 15 116.439 0 . 1 . . . . 109 SER N . 11060 1 538 . 1 1 48 48 SER HB2 H 1 4.005 0 . 2 . . . . 109 SER QB . 11060 1 539 . 1 1 49 49 ASP CA C 13 56.211 0 . 1 . . . . 110 ASP CA . 11060 1 540 . 1 1 49 49 ASP CB C 13 40.691 0 . 1 . . . . 110 ASP CB . 11060 1 541 . 1 1 49 49 ASP HA H 1 4.534 0 . 1 . . . . 110 ASP HA . 11060 1 542 . 1 1 49 49 ASP H H 1 7.832 0 . 1 . . . . 110 ASP HN . 11060 1 543 . 1 1 49 49 ASP N N 15 121.141 0 . 1 . . . . 110 ASP N . 11060 1 544 . 1 1 49 49 ASP HB2 H 1 2.835 0 . 2 . . . . 110 ASP QB . 11060 1 545 . 1 1 50 50 PHE CA C 13 60.009 0 . 1 . . . . 111 PHE CA . 11060 1 546 . 1 1 50 50 PHE CB C 13 38.598 0.006 . 1 . . . . 111 PHE CB . 11060 1 547 . 1 1 50 50 PHE CD1 C 13 131.549 0 . 3 . . . . 111 PHE CD1 . 11060 1 548 . 1 1 50 50 PHE CE1 C 13 130.103 0 . 3 . . . . 111 PHE CE1 . 11060 1 549 . 1 1 50 50 PHE CZ C 13 128.738 0 . 1 . . . . 111 PHE CZ . 11060 1 550 . 1 1 50 50 PHE HA H 1 3.486 0 . 1 . . . . 111 PHE HA . 11060 1 551 . 1 1 50 50 PHE HB2 H 1 2.854 0 . 2 . . . . 111 PHE HB2 . 11060 1 552 . 1 1 50 50 PHE HB3 H 1 2.65 0 . 2 . . . . 111 PHE HB3 . 11060 1 553 . 1 1 50 50 PHE HD1 H 1 6.581 0 . 3 . . . . 111 PHE QD . 11060 1 554 . 1 1 50 50 PHE HE1 H 1 6.595 0 . 3 . . . . 111 PHE QE . 11060 1 555 . 1 1 50 50 PHE H H 1 8.044 0 . 1 . . . . 111 PHE HN . 11060 1 556 . 1 1 50 50 PHE HZ H 1 6.486 0 . 1 . . . . 111 PHE HZ . 11060 1 557 . 1 1 50 50 PHE N N 15 122.621 0 . 1 . . . . 111 PHE N . 11060 1 558 . 1 1 50 50 PHE CD2 C 13 131.549 0 . 3 . . . . 111 PHE CD2 . 11060 1 559 . 1 1 50 50 PHE CE2 C 13 130.103 0 . 3 . . . . 111 PHE CE2 . 11060 1 560 . 1 1 51 51 LEU CA C 13 58.009 0 . 1 . . . . 112 LEU CA . 11060 1 561 . 1 1 51 51 LEU CB C 13 41.213 0.001 . 1 . . . . 112 LEU CB . 11060 1 562 . 1 1 51 51 LEU CD1 C 13 25.419 0 . 2 . . . . 112 LEU CD1 . 11060 1 563 . 1 1 51 51 LEU CD2 C 13 23.056 0 . 2 . . . . 112 LEU CD2 . 11060 1 564 . 1 1 51 51 LEU CG C 13 26.71 0 . 1 . . . . 112 LEU CG . 11060 1 565 . 1 1 51 51 LEU HA H 1 3.546 0 . 1 . . . . 112 LEU HA . 11060 1 566 . 1 1 51 51 LEU HB2 H 1 1.771 0 . 2 . . . . 112 LEU HB2 . 11060 1 567 . 1 1 51 51 LEU HB3 H 1 1.473 0 . 2 . . . . 112 LEU HB3 . 11060 1 568 . 1 1 51 51 LEU HG H 1 1.738 0 . 1 . . . . 112 LEU HG . 11060 1 569 . 1 1 51 51 LEU H H 1 8.046 0 . 1 . . . . 112 LEU HN . 11060 1 570 . 1 1 51 51 LEU N N 15 119.691 0 . 1 . . . . 112 LEU N . 11060 1 571 . 1 1 51 51 LEU HD11 H 1 0.97 0 . 1 . . . . 112 LEU QD1 . 11060 1 572 . 1 1 51 51 LEU HD12 H 1 0.97 0 . 1 . . . . 112 LEU QD1 . 11060 1 573 . 1 1 51 51 LEU HD13 H 1 0.97 0 . 1 . . . . 112 LEU QD1 . 11060 1 574 . 1 1 51 51 LEU HD21 H 1 0.816 0 . 1 . . . . 112 LEU QD2 . 11060 1 575 . 1 1 51 51 LEU HD22 H 1 0.816 0 . 1 . . . . 112 LEU QD2 . 11060 1 576 . 1 1 51 51 LEU HD23 H 1 0.816 0 . 1 . . . . 112 LEU QD2 . 11060 1 577 . 1 1 52 52 MET CA C 13 57.696 0 . 1 . . . . 113 MET CA . 11060 1 578 . 1 1 52 52 MET CB C 13 32.289 0.003 . 1 . . . . 113 MET CB . 11060 1 579 . 1 1 52 52 MET CE C 13 16.914 0 . 1 . . . . 113 MET CE . 11060 1 580 . 1 1 52 52 MET CG C 13 32.223 0.002 . 1 . . . . 113 MET CG . 11060 1 581 . 1 1 52 52 MET HA H 1 4.231 0 . 1 . . . . 113 MET HA . 11060 1 582 . 1 1 52 52 MET HB2 H 1 2.23 0 . 2 . . . . 113 MET HB2 . 11060 1 583 . 1 1 52 52 MET HB3 H 1 2.127 0 . 2 . . . . 113 MET HB3 . 11060 1 584 . 1 1 52 52 MET HG2 H 1 2.81 0 . 2 . . . . 113 MET HG2 . 11060 1 585 . 1 1 52 52 MET HG3 H 1 2.686 0 . 2 . . . . 113 MET HG3 . 11060 1 586 . 1 1 52 52 MET H H 1 7.563 0 . 1 . . . . 113 MET HN . 11060 1 587 . 1 1 52 52 MET N N 15 115.77 0 . 1 . . . . 113 MET N . 11060 1 588 . 1 1 52 52 MET HE1 H 1 2.206 0 . 1 . . . . 113 MET QE . 11060 1 589 . 1 1 52 52 MET HE2 H 1 2.206 0 . 1 . . . . 113 MET QE . 11060 1 590 . 1 1 52 52 MET HE3 H 1 2.206 0 . 1 . . . . 113 MET QE . 11060 1 591 . 1 1 53 53 ALA CA C 13 54.815 0 . 1 . . . . 114 ALA CA . 11060 1 592 . 1 1 53 53 ALA CB C 13 18.369 0 . 1 . . . . 114 ALA CB . 11060 1 593 . 1 1 53 53 ALA HA H 1 4.199 0 . 1 . . . . 114 ALA HA . 11060 1 594 . 1 1 53 53 ALA H H 1 7.878 0 . 1 . . . . 114 ALA HN . 11060 1 595 . 1 1 53 53 ALA N N 15 121.804 0 . 1 . . . . 114 ALA N . 11060 1 596 . 1 1 53 53 ALA HB1 H 1 1.446 0 . 1 . . . . 114 ALA QB . 11060 1 597 . 1 1 53 53 ALA HB2 H 1 1.446 0 . 1 . . . . 114 ALA QB . 11060 1 598 . 1 1 53 53 ALA HB3 H 1 1.446 0 . 1 . . . . 114 ALA QB . 11060 1 599 . 1 1 54 54 ILE CA C 13 63.259 0 . 1 . . . . 115 ILE CA . 11060 1 600 . 1 1 54 54 ILE CB C 13 36.127 0 . 1 . . . . 115 ILE CB . 11060 1 601 . 1 1 54 54 ILE CD1 C 13 12.137 0 . 1 . . . . 115 ILE CD1 . 11060 1 602 . 1 1 54 54 ILE CG1 C 13 28.387 0.041 . 1 . . . . 115 ILE CG1 . 11060 1 603 . 1 1 54 54 ILE CG2 C 13 17.865 0 . 1 . . . . 115 ILE CG2 . 11060 1 604 . 1 1 54 54 ILE HA H 1 3.767 0 . 1 . . . . 115 ILE HA . 11060 1 605 . 1 1 54 54 ILE HB H 1 1.677 0 . 1 . . . . 115 ILE HB . 11060 1 606 . 1 1 54 54 ILE HG12 H 1 1.176 0 . 2 . . . . 115 ILE HG12 . 11060 1 607 . 1 1 54 54 ILE HG13 H 1 0.927 0 . 2 . . . . 115 ILE HG13 . 11060 1 608 . 1 1 54 54 ILE H H 1 8.202 0 . 1 . . . . 115 ILE HN . 11060 1 609 . 1 1 54 54 ILE N N 15 118.054 0 . 1 . . . . 115 ILE N . 11060 1 610 . 1 1 54 54 ILE HD11 H 1 0.596 0 . 1 . . . . 115 ILE QD1 . 11060 1 611 . 1 1 54 54 ILE HD12 H 1 0.596 0 . 1 . . . . 115 ILE QD1 . 11060 1 612 . 1 1 54 54 ILE HD13 H 1 0.596 0 . 1 . . . . 115 ILE QD1 . 11060 1 613 . 1 1 54 54 ILE HG21 H 1 0.67 0 . 1 . . . . 115 ILE QG2 . 11060 1 614 . 1 1 54 54 ILE HG22 H 1 0.67 0 . 1 . . . . 115 ILE QG2 . 11060 1 615 . 1 1 54 54 ILE HG23 H 1 0.67 0 . 1 . . . . 115 ILE QG2 . 11060 1 616 . 1 1 55 55 VAL CA C 13 68.036 0 . 1 . . . . 116 VAL CA . 11060 1 617 . 1 1 55 55 VAL CB C 13 31.463 0 . 1 . . . . 116 VAL CB . 11060 1 618 . 1 1 55 55 VAL CG1 C 13 23.981 0 . 2 . . . . 116 VAL CG1 . 11060 1 619 . 1 1 55 55 VAL CG2 C 13 21.732 0 . 2 . . . . 116 VAL CG2 . 11060 1 620 . 1 1 55 55 VAL HA H 1 3.509 0 . 1 . . . . 116 VAL HA . 11060 1 621 . 1 1 55 55 VAL HB H 1 2.238 0 . 1 . . . . 116 VAL HB . 11060 1 622 . 1 1 55 55 VAL H H 1 7.961 0 . 1 . . . . 116 VAL HN . 11060 1 623 . 1 1 55 55 VAL N N 15 121.095 0 . 1 . . . . 116 VAL N . 11060 1 624 . 1 1 55 55 VAL HG11 H 1 1.179 0 . 1 . . . . 116 VAL QG1 . 11060 1 625 . 1 1 55 55 VAL HG12 H 1 1.179 0 . 1 . . . . 116 VAL QG1 . 11060 1 626 . 1 1 55 55 VAL HG13 H 1 1.179 0 . 1 . . . . 116 VAL QG1 . 11060 1 627 . 1 1 55 55 VAL HG21 H 1 1.043 0 . 1 . . . . 116 VAL QG2 . 11060 1 628 . 1 1 55 55 VAL HG22 H 1 1.043 0 . 1 . . . . 116 VAL QG2 . 11060 1 629 . 1 1 55 55 VAL HG23 H 1 1.043 0 . 1 . . . . 116 VAL QG2 . 11060 1 630 . 1 1 56 56 LYS CA C 13 59.077 0 . 1 . . . . 117 LYS CA . 11060 1 631 . 1 1 56 56 LYS CB C 13 31.997 0 . 1 . . . . 117 LYS CB . 11060 1 632 . 1 1 56 56 LYS CD C 13 28.786 0 . 1 . . . . 117 LYS CD . 11060 1 633 . 1 1 56 56 LYS CE C 13 41.857 0 . 1 . . . . 117 LYS CE . 11060 1 634 . 1 1 56 56 LYS CG C 13 25.205 0.013 . 1 . . . . 117 LYS CG . 11060 1 635 . 1 1 56 56 LYS HA H 1 4.297 0 . 1 . . . . 117 LYS HA . 11060 1 636 . 1 1 56 56 LYS HG2 H 1 1.678 0 . 2 . . . . 117 LYS HG2 . 11060 1 637 . 1 1 56 56 LYS HG3 H 1 1.591 0 . 2 . . . . 117 LYS HG3 . 11060 1 638 . 1 1 56 56 LYS H H 1 8 0 . 1 . . . . 117 LYS HN . 11060 1 639 . 1 1 56 56 LYS N N 15 118.806 0 . 1 . . . . 117 LYS N . 11060 1 640 . 1 1 56 56 LYS HB2 H 1 2.024 0 . 2 . . . . 117 LYS QB . 11060 1 641 . 1 1 56 56 LYS HD2 H 1 1.819 0 . 2 . . . . 117 LYS QD . 11060 1 642 . 1 1 56 56 LYS HE2 H 1 3.087 0 . 2 . . . . 117 LYS QE . 11060 1 643 . 1 1 57 57 LEU CA C 13 57.515 0 . 1 . . . . 118 LEU CA . 11060 1 644 . 1 1 57 57 LEU CB C 13 42.727 0 . 1 . . . . 118 LEU CB . 11060 1 645 . 1 1 57 57 LEU CD1 C 13 24.487 0 . 2 . . . . 118 LEU CD1 . 11060 1 646 . 1 1 57 57 LEU CD2 C 13 24.837 0 . 2 . . . . 118 LEU CD2 . 11060 1 647 . 1 1 57 57 LEU CG C 13 27.095 0 . 1 . . . . 118 LEU CG . 11060 1 648 . 1 1 57 57 LEU HA H 1 4.286 0 . 1 . . . . 118 LEU HA . 11060 1 649 . 1 1 57 57 LEU HB2 H 1 1.994 0 . 2 . . . . 118 LEU HB2 . 11060 1 650 . 1 1 57 57 LEU HB3 H 1 1.547 0 . 2 . . . . 118 LEU HB3 . 11060 1 651 . 1 1 57 57 LEU HG H 1 1.842 0 . 1 . . . . 118 LEU HG . 11060 1 652 . 1 1 57 57 LEU H H 1 8.39 0 . 1 . . . . 118 LEU HN . 11060 1 653 . 1 1 57 57 LEU N N 15 120.738 0 . 1 . . . . 118 LEU N . 11060 1 654 . 1 1 57 57 LEU HD11 H 1 1.082 0 . 1 . . . . 118 LEU QD1 . 11060 1 655 . 1 1 57 57 LEU HD12 H 1 1.082 0 . 1 . . . . 118 LEU QD1 . 11060 1 656 . 1 1 57 57 LEU HD13 H 1 1.082 0 . 1 . . . . 118 LEU QD1 . 11060 1 657 . 1 1 57 57 LEU HD21 H 1 1.099 0 . 1 . . . . 118 LEU QD2 . 11060 1 658 . 1 1 57 57 LEU HD22 H 1 1.099 0 . 1 . . . . 118 LEU QD2 . 11060 1 659 . 1 1 57 57 LEU HD23 H 1 1.099 0 . 1 . . . . 118 LEU QD2 . 11060 1 660 . 1 1 58 58 ALA CA C 13 55.695 0 . 1 . . . . 119 ALA CA . 11060 1 661 . 1 1 58 58 ALA CB C 13 17.984 0 . 1 . . . . 119 ALA CB . 11060 1 662 . 1 1 58 58 ALA HA H 1 4.131 0 . 1 . . . . 119 ALA HA . 11060 1 663 . 1 1 58 58 ALA H H 1 9.213 0 . 1 . . . . 119 ALA HN . 11060 1 664 . 1 1 58 58 ALA N N 15 123.641 0 . 1 . . . . 119 ALA N . 11060 1 665 . 1 1 58 58 ALA HB1 H 1 1.552 0 . 1 . . . . 119 ALA QB . 11060 1 666 . 1 1 58 58 ALA HB2 H 1 1.552 0 . 1 . . . . 119 ALA QB . 11060 1 667 . 1 1 58 58 ALA HB3 H 1 1.552 0 . 1 . . . . 119 ALA QB . 11060 1 668 . 1 1 59 59 GLN CA C 13 60.234 0 . 1 . . . . 120 GLN CA . 11060 1 669 . 1 1 59 59 GLN CB C 13 28.353 0.023 . 1 . . . . 120 GLN CB . 11060 1 670 . 1 1 59 59 GLN CG C 13 35.176 0.037 . 1 . . . . 120 GLN CG . 11060 1 671 . 1 1 59 59 GLN HA H 1 3.972 0 . 1 . . . . 120 GLN HA . 11060 1 672 . 1 1 59 59 GLN HB2 H 1 2.52 0 . 2 . . . . 120 GLN HB2 . 11060 1 673 . 1 1 59 59 GLN HB3 H 1 2.09 0 . 2 . . . . 120 GLN HB3 . 11060 1 674 . 1 1 59 59 GLN HE21 H 1 7.001 0 . 2 . . . . 120 GLN HE21 . 11060 1 675 . 1 1 59 59 GLN HE22 H 1 7.041 0 . 2 . . . . 120 GLN HE22 . 11060 1 676 . 1 1 59 59 GLN HG2 H 1 2.899 0 . 2 . . . . 120 GLN HG2 . 11060 1 677 . 1 1 59 59 GLN HG3 H 1 2.167 0 . 2 . . . . 120 GLN HG3 . 11060 1 678 . 1 1 59 59 GLN H H 1 8.649 0 . 1 . . . . 120 GLN HN . 11060 1 679 . 1 1 59 59 GLN N N 15 116.453 0 . 1 . . . . 120 GLN N . 11060 1 680 . 1 1 59 59 GLN NE2 N 15 110.689 0.021 . 1 . . . . 120 GLN NE2 . 11060 1 681 . 1 1 60 60 THR CA C 13 66.36 0 . 1 . . . . 121 THR CA . 11060 1 682 . 1 1 60 60 THR CB C 13 68.868 0 . 1 . . . . 121 THR CB . 11060 1 683 . 1 1 60 60 THR CG2 C 13 21.351 0 . 1 . . . . 121 THR CG2 . 11060 1 684 . 1 1 60 60 THR HA H 1 4.076 0 . 1 . . . . 121 THR HA . 11060 1 685 . 1 1 60 60 THR HB H 1 4.376 0 . 1 . . . . 121 THR HB . 11060 1 686 . 1 1 60 60 THR H H 1 8.566 0 . 1 . . . . 121 THR HN . 11060 1 687 . 1 1 60 60 THR N N 15 115.479 0 . 1 . . . . 121 THR N . 11060 1 688 . 1 1 60 60 THR HG21 H 1 1.402 0 . 1 . . . . 121 THR QG2 . 11060 1 689 . 1 1 60 60 THR HG22 H 1 1.402 0 . 1 . . . . 121 THR QG2 . 11060 1 690 . 1 1 60 60 THR HG23 H 1 1.402 0 . 1 . . . . 121 THR QG2 . 11060 1 691 . 1 1 61 61 ASN CA C 13 57.397 0 . 1 . . . . 122 ASN CA . 11060 1 692 . 1 1 61 61 ASN CB C 13 39.535 0.05 . 1 . . . . 122 ASN CB . 11060 1 693 . 1 1 61 61 ASN HA H 1 4.626 0 . 1 . . . . 122 ASN HA . 11060 1 694 . 1 1 61 61 ASN HB2 H 1 2.82 0 . 2 . . . . 122 ASN HB2 . 11060 1 695 . 1 1 61 61 ASN HB3 H 1 2.416 0 . 2 . . . . 122 ASN HB3 . 11060 1 696 . 1 1 61 61 ASN HD21 H 1 7.206 0 . 2 . . . . 122 ASN HD21 . 11060 1 697 . 1 1 61 61 ASN HD22 H 1 7.436 0 . 2 . . . . 122 ASN HD22 . 11060 1 698 . 1 1 61 61 ASN H H 1 8.433 0 . 1 . . . . 122 ASN HN . 11060 1 699 . 1 1 61 61 ASN N N 15 120.652 0 . 1 . . . . 122 ASN N . 11060 1 700 . 1 1 61 61 ASN ND2 N 15 110.379 0.004 . 1 . . . . 122 ASN ND2 . 11060 1 701 . 1 1 62 62 LEU CA C 13 58.804 0 . 1 . . . . 123 LEU CA . 11060 1 702 . 1 1 62 62 LEU CB C 13 42.331 0.007 . 1 . . . . 123 LEU CB . 11060 1 703 . 1 1 62 62 LEU CD1 C 13 24.764 0 . 2 . . . . 123 LEU CD1 . 11060 1 704 . 1 1 62 62 LEU CD2 C 13 24.699 0 . 2 . . . . 123 LEU CD2 . 11060 1 705 . 1 1 62 62 LEU CG C 13 27.203 0 . 1 . . . . 123 LEU CG . 11060 1 706 . 1 1 62 62 LEU HA H 1 4.068 0 . 1 . . . . 123 LEU HA . 11060 1 707 . 1 1 62 62 LEU HB2 H 1 2.047 0 . 2 . . . . 123 LEU HB2 . 11060 1 708 . 1 1 62 62 LEU HB3 H 1 1.459 0 . 2 . . . . 123 LEU HB3 . 11060 1 709 . 1 1 62 62 LEU HG H 1 1.8 0 . 1 . . . . 123 LEU HG . 11060 1 710 . 1 1 62 62 LEU H H 1 8.837 0 . 1 . . . . 123 LEU HN . 11060 1 711 . 1 1 62 62 LEU N N 15 121.425 0 . 1 . . . . 123 LEU N . 11060 1 712 . 1 1 62 62 LEU HD11 H 1 0.876 0 . 1 . . . . 123 LEU QD1 . 11060 1 713 . 1 1 62 62 LEU HD12 H 1 0.876 0 . 1 . . . . 123 LEU QD1 . 11060 1 714 . 1 1 62 62 LEU HD13 H 1 0.876 0 . 1 . . . . 123 LEU QD1 . 11060 1 715 . 1 1 62 62 LEU HD21 H 1 0.835 0 . 1 . . . . 123 LEU QD2 . 11060 1 716 . 1 1 62 62 LEU HD22 H 1 0.835 0 . 1 . . . . 123 LEU QD2 . 11060 1 717 . 1 1 62 62 LEU HD23 H 1 0.835 0 . 1 . . . . 123 LEU QD2 . 11060 1 718 . 1 1 63 63 ARG CA C 13 59.647 0 . 1 . . . . 124 ARG CA . 11060 1 719 . 1 1 63 63 ARG CB C 13 30.112 0 . 1 . . . . 124 ARG CB . 11060 1 720 . 1 1 63 63 ARG CD C 13 43.48 0.032 . 1 . . . . 124 ARG CD . 11060 1 721 . 1 1 63 63 ARG CG C 13 28.208 0.03 . 1 . . . . 124 ARG CG . 11060 1 722 . 1 1 63 63 ARG HA H 1 4.03 0 . 1 . . . . 124 ARG HA . 11060 1 723 . 1 1 63 63 ARG HD2 H 1 3.456 0 . 2 . . . . 124 ARG HD2 . 11060 1 724 . 1 1 63 63 ARG HD3 H 1 3.382 0 . 2 . . . . 124 ARG HD3 . 11060 1 725 . 1 1 63 63 ARG HG2 H 1 1.99 0 . 2 . . . . 124 ARG HG2 . 11060 1 726 . 1 1 63 63 ARG HG3 H 1 1.77 0 . 2 . . . . 124 ARG HG3 . 11060 1 727 . 1 1 63 63 ARG H H 1 7.502 0 . 1 . . . . 124 ARG HN . 11060 1 728 . 1 1 63 63 ARG N N 15 116.156 0 . 1 . . . . 124 ARG N . 11060 1 729 . 1 1 63 63 ARG HB2 H 1 2.073 0 . 2 . . . . 124 ARG QB . 11060 1 730 . 1 1 64 64 ALA CA C 13 54.793 0 . 1 . . . . 125 ALA CA . 11060 1 731 . 1 1 64 64 ALA CB C 13 18.471 0 . 1 . . . . 125 ALA CB . 11060 1 732 . 1 1 64 64 ALA HA H 1 4.26 0 . 1 . . . . 125 ALA HA . 11060 1 733 . 1 1 64 64 ALA H H 1 7.637 0 . 1 . . . . 125 ALA HN . 11060 1 734 . 1 1 64 64 ALA N N 15 121.808 0 . 1 . . . . 125 ALA N . 11060 1 735 . 1 1 64 64 ALA HB1 H 1 1.655 0 . 1 . . . . 125 ALA QB . 11060 1 736 . 1 1 64 64 ALA HB2 H 1 1.655 0 . 1 . . . . 125 ALA QB . 11060 1 737 . 1 1 64 64 ALA HB3 H 1 1.655 0 . 1 . . . . 125 ALA QB . 11060 1 738 . 1 1 65 65 ILE CA C 13 64.917 0 . 1 . . . . 126 ILE CA . 11060 1 739 . 1 1 65 65 ILE CB C 13 39.599 0 . 1 . . . . 126 ILE CB . 11060 1 740 . 1 1 65 65 ILE CD1 C 13 14.51 0 . 1 . . . . 126 ILE CD1 . 11060 1 741 . 1 1 65 65 ILE CG1 C 13 29.151 0.026 . 1 . . . . 126 ILE CG1 . 11060 1 742 . 1 1 65 65 ILE CG2 C 13 17.916 0 . 1 . . . . 126 ILE CG2 . 11060 1 743 . 1 1 65 65 ILE HA H 1 3.745 0 . 1 . . . . 126 ILE HA . 11060 1 744 . 1 1 65 65 ILE HB H 1 1.803 0 . 1 . . . . 126 ILE HB . 11060 1 745 . 1 1 65 65 ILE HG12 H 1 2.073 0 . 2 . . . . 126 ILE HG12 . 11060 1 746 . 1 1 65 65 ILE HG13 H 1 0.999 0 . 2 . . . . 126 ILE HG13 . 11060 1 747 . 1 1 65 65 ILE H H 1 8.476 0 . 1 . . . . 126 ILE HN . 11060 1 748 . 1 1 65 65 ILE N N 15 117.948 0 . 1 . . . . 126 ILE N . 11060 1 749 . 1 1 65 65 ILE HD11 H 1 0.856 0 . 1 . . . . 126 ILE QD1 . 11060 1 750 . 1 1 65 65 ILE HD12 H 1 0.856 0 . 1 . . . . 126 ILE QD1 . 11060 1 751 . 1 1 65 65 ILE HD13 H 1 0.856 0 . 1 . . . . 126 ILE QD1 . 11060 1 752 . 1 1 65 65 ILE HG21 H 1 1.039 0 . 1 . . . . 126 ILE QG2 . 11060 1 753 . 1 1 65 65 ILE HG22 H 1 1.039 0 . 1 . . . . 126 ILE QG2 . 11060 1 754 . 1 1 65 65 ILE HG23 H 1 1.039 0 . 1 . . . . 126 ILE QG2 . 11060 1 755 . 1 1 66 66 ILE CA C 13 64.704 0 . 1 . . . . 127 ILE CA . 11060 1 756 . 1 1 66 66 ILE CB C 13 37.188 0 . 1 . . . . 127 ILE CB . 11060 1 757 . 1 1 66 66 ILE CD1 C 13 14.124 0 . 1 . . . . 127 ILE CD1 . 11060 1 758 . 1 1 66 66 ILE CG1 C 13 30.624 0.008 . 1 . . . . 127 ILE CG1 . 11060 1 759 . 1 1 66 66 ILE CG2 C 13 18.761 0 . 1 . . . . 127 ILE CG2 . 11060 1 760 . 1 1 66 66 ILE HA H 1 3.826 0 . 1 . . . . 127 ILE HA . 11060 1 761 . 1 1 66 66 ILE HB H 1 1.928 0 . 1 . . . . 127 ILE HB . 11060 1 762 . 1 1 66 66 ILE HG12 H 1 1.822 0 . 2 . . . . 127 ILE HG12 . 11060 1 763 . 1 1 66 66 ILE HG13 H 1 1.286 0 . 2 . . . . 127 ILE HG13 . 11060 1 764 . 1 1 66 66 ILE H H 1 8.13 0 . 1 . . . . 127 ILE HN . 11060 1 765 . 1 1 66 66 ILE N N 15 118.919 0 . 1 . . . . 127 ILE N . 11060 1 766 . 1 1 66 66 ILE HD11 H 1 0.917 0 . 1 . . . . 127 ILE QD1 . 11060 1 767 . 1 1 66 66 ILE HD12 H 1 0.917 0 . 1 . . . . 127 ILE QD1 . 11060 1 768 . 1 1 66 66 ILE HD13 H 1 0.917 0 . 1 . . . . 127 ILE QD1 . 11060 1 769 . 1 1 66 66 ILE HG21 H 1 0.976 0 . 1 . . . . 127 ILE QG2 . 11060 1 770 . 1 1 66 66 ILE HG22 H 1 0.976 0 . 1 . . . . 127 ILE QG2 . 11060 1 771 . 1 1 66 66 ILE HG23 H 1 0.976 0 . 1 . . . . 127 ILE QG2 . 11060 1 772 . 1 1 67 67 GLY CA C 13 46.401 0.002 . 1 . . . . 128 GLY CA . 11060 1 773 . 1 1 67 67 GLY HA2 H 1 4.437 0 . 1 . . . . 128 GLY HA1 . 11060 1 774 . 1 1 67 67 GLY HA3 H 1 3.925 0 . 2 . . . . 128 GLY HA2 . 11060 1 775 . 1 1 67 67 GLY H H 1 7.683 0 . 1 . . . . 128 GLY HN . 11060 1 776 . 1 1 67 67 GLY N N 15 104.485 0 . 1 . . . . 128 GLY N . 11060 1 777 . 1 1 68 68 GLU CA C 13 55.446 0 . 1 . . . . 129 GLU CA . 11060 1 778 . 1 1 68 68 GLU CB C 13 30.672 0.011 . 1 . . . . 129 GLU CB . 11060 1 779 . 1 1 68 68 GLU CG C 13 35.944 0.007 . 1 . . . . 129 GLU CG . 11060 1 780 . 1 1 68 68 GLU HA H 1 4.589 0 . 1 . . . . 129 GLU HA . 11060 1 781 . 1 1 68 68 GLU HB2 H 1 2.477 0 . 2 . . . . 129 GLU HB2 . 11060 1 782 . 1 1 68 68 GLU HB3 H 1 2.154 0 . 2 . . . . 129 GLU HB3 . 11060 1 783 . 1 1 68 68 GLU HG2 H 1 2.651 0 . 2 . . . . 129 GLU HG2 . 11060 1 784 . 1 1 68 68 GLU HG3 H 1 2.398 0 . 2 . . . . 129 GLU HG3 . 11060 1 785 . 1 1 68 68 GLU H H 1 7.111 0 . 1 . . . . 129 GLU HN . 11060 1 786 . 1 1 68 68 GLU N N 15 115.084 0 . 1 . . . . 129 GLU N . 11060 1 787 . 1 1 69 69 MET CA C 13 55.238 0 . 1 . . . . 130 MET CA . 11060 1 788 . 1 1 69 69 MET CB C 13 36.559 0.021 . 1 . . . . 130 MET CB . 11060 1 789 . 1 1 69 69 MET CE C 13 17.183 0 . 1 . . . . 130 MET CE . 11060 1 790 . 1 1 69 69 MET CG C 13 32.286 0.022 . 1 . . . . 130 MET CG . 11060 1 791 . 1 1 69 69 MET HA H 1 4.763 0 . 1 . . . . 130 MET HA . 11060 1 792 . 1 1 69 69 MET HB2 H 1 2.277 0 . 2 . . . . 130 MET HB2 . 11060 1 793 . 1 1 69 69 MET HB3 H 1 2.177 0 . 2 . . . . 130 MET HB3 . 11060 1 794 . 1 1 69 69 MET HG2 H 1 2.865 0 . 2 . . . . 130 MET HG2 . 11060 1 795 . 1 1 69 69 MET HG3 H 1 2.444 0 . 2 . . . . 130 MET HG3 . 11060 1 796 . 1 1 69 69 MET H H 1 8.414 0 . 1 . . . . 130 MET HN . 11060 1 797 . 1 1 69 69 MET N N 15 121.732 0 . 1 . . . . 130 MET N . 11060 1 798 . 1 1 69 69 MET HE1 H 1 2.056 0 . 1 . . . . 130 MET QE . 11060 1 799 . 1 1 69 69 MET HE2 H 1 2.056 0 . 1 . . . . 130 MET QE . 11060 1 800 . 1 1 69 69 MET HE3 H 1 2.056 0 . 1 . . . . 130 MET QE . 11060 1 801 . 1 1 70 70 GLU CA C 13 56.474 0 . 1 . . . . 131 GLU CA . 11060 1 802 . 1 1 70 70 GLU CB C 13 30.686 0.052 . 1 . . . . 131 GLU CB . 11060 1 803 . 1 1 70 70 GLU CG C 13 38.352 0.002 . 1 . . . . 131 GLU CG . 11060 1 804 . 1 1 70 70 GLU HA H 1 4.354 0 . 1 . . . . 131 GLU HA . 11060 1 805 . 1 1 70 70 GLU HB2 H 1 2.468 0 . 2 . . . . 131 GLU HB2 . 11060 1 806 . 1 1 70 70 GLU HB3 H 1 2.118 0 . 2 . . . . 131 GLU HB3 . 11060 1 807 . 1 1 70 70 GLU HG2 H 1 2.597 0 . 2 . . . . 131 GLU HG2 . 11060 1 808 . 1 1 70 70 GLU HG3 H 1 2.237 0 . 2 . . . . 131 GLU HG3 . 11060 1 809 . 1 1 70 70 GLU H H 1 9.395 0 . 1 . . . . 131 GLU HN . 11060 1 810 . 1 1 70 70 GLU N N 15 122.754 0 . 1 . . . . 131 GLU N . 11060 1 811 . 1 1 71 71 LEU CA C 13 59.955 0 . 1 . . . . 132 LEU CA . 11060 1 812 . 1 1 71 71 LEU CB C 13 40.9 0.013 . 1 . . . . 132 LEU CB . 11060 1 813 . 1 1 71 71 LEU CD1 C 13 25.727 0 . 2 . . . . 132 LEU CD1 . 11060 1 814 . 1 1 71 71 LEU CD2 C 13 23.552 0 . 2 . . . . 132 LEU CD2 . 11060 1 815 . 1 1 71 71 LEU CG C 13 27.136 0 . 1 . . . . 132 LEU CG . 11060 1 816 . 1 1 71 71 LEU HA H 1 4.454 0 . 1 . . . . 132 LEU HA . 11060 1 817 . 1 1 71 71 LEU HB2 H 1 2.085 0 . 2 . . . . 132 LEU HB2 . 11060 1 818 . 1 1 71 71 LEU HB3 H 1 1.808 0 . 2 . . . . 132 LEU HB3 . 11060 1 819 . 1 1 71 71 LEU HG H 1 1.682 0 . 1 . . . . 132 LEU HG . 11060 1 820 . 1 1 71 71 LEU H H 1 10.32 0 . 1 . . . . 132 LEU HN . 11060 1 821 . 1 1 71 71 LEU N N 15 127.791 0 . 1 . . . . 132 LEU N . 11060 1 822 . 1 1 71 71 LEU HD11 H 1 1.11 0 . 1 . . . . 132 LEU QD1 . 11060 1 823 . 1 1 71 71 LEU HD12 H 1 1.11 0 . 1 . . . . 132 LEU QD1 . 11060 1 824 . 1 1 71 71 LEU HD13 H 1 1.11 0 . 1 . . . . 132 LEU QD1 . 11060 1 825 . 1 1 71 71 LEU HD21 H 1 0.948 0 . 1 . . . . 132 LEU QD2 . 11060 1 826 . 1 1 71 71 LEU HD22 H 1 0.948 0 . 1 . . . . 132 LEU QD2 . 11060 1 827 . 1 1 71 71 LEU HD23 H 1 0.948 0 . 1 . . . . 132 LEU QD2 . 11060 1 828 . 1 1 72 72 ASP CA C 13 57.961 0 . 1 . . . . 133 ASP CA . 11060 1 829 . 1 1 72 72 ASP CB C 13 40.031 0 . 1 . . . . 133 ASP CB . 11060 1 830 . 1 1 72 72 ASP HA H 1 4.452 0 . 1 . . . . 133 ASP HA . 11060 1 831 . 1 1 72 72 ASP H H 1 9.283 0 . 1 . . . . 133 ASP HN . 11060 1 832 . 1 1 72 72 ASP N N 15 117.573 0 . 1 . . . . 133 ASP N . 11060 1 833 . 1 1 72 72 ASP HB2 H 1 2.753 0 . 2 . . . . 133 ASP QB . 11060 1 834 . 1 1 73 73 GLU CA C 13 58.07 0 . 1 . . . . 134 GLU CA . 11060 1 835 . 1 1 73 73 GLU CB C 13 30.329 0.044 . 1 . . . . 134 GLU CB . 11060 1 836 . 1 1 73 73 GLU CG C 13 36.429 0 . 1 . . . . 134 GLU CG . 11060 1 837 . 1 1 73 73 GLU HA H 1 4.166 0 . 1 . . . . 134 GLU HA . 11060 1 838 . 1 1 73 73 GLU HB2 H 1 2.466 0 . 2 . . . . 134 GLU HB2 . 11060 1 839 . 1 1 73 73 GLU HB3 H 1 2.209 0 . 2 . . . . 134 GLU HB3 . 11060 1 840 . 1 1 73 73 GLU HG2 H 1 2.526 0 . 2 . . . . 134 GLU HG2 . 11060 1 841 . 1 1 73 73 GLU HG3 H 1 2.418 0 . 2 . . . . 134 GLU HG3 . 11060 1 842 . 1 1 73 73 GLU H H 1 7.307 0 . 1 . . . . 134 GLU HN . 11060 1 843 . 1 1 73 73 GLU N N 15 118.947 0 . 1 . . . . 134 GLU N . 11060 1 844 . 1 1 74 74 THR CA C 13 67.017 0 . 1 . . . . 135 THR CA . 11060 1 845 . 1 1 74 74 THR CB C 13 68.224 0.152 . 1 . . . . 135 THR CB . 11060 1 846 . 1 1 74 74 THR CG2 C 13 22.236 0 . 1 . . . . 135 THR CG2 . 11060 1 847 . 1 1 74 74 THR HA H 1 3.966 0 . 1 . . . . 135 THR HA . 11060 1 848 . 1 1 74 74 THR HB H 1 4.49 0 . 1 . . . . 135 THR HB . 11060 1 849 . 1 1 74 74 THR H H 1 8.334 0 . 1 . . . . 135 THR HN . 11060 1 850 . 1 1 74 74 THR N N 15 116.702 0 . 1 . . . . 135 THR N . 11060 1 851 . 1 1 74 74 THR HG21 H 1 1.24 0 . 1 . . . . 135 THR QG2 . 11060 1 852 . 1 1 74 74 THR HG22 H 1 1.24 0 . 1 . . . . 135 THR QG2 . 11060 1 853 . 1 1 74 74 THR HG23 H 1 1.24 0 . 1 . . . . 135 THR QG2 . 11060 1 854 . 1 1 75 75 LEU CA C 13 57.604 0 . 1 . . . . 136 LEU CA . 11060 1 855 . 1 1 75 75 LEU CB C 13 41.375 0 . 1 . . . . 136 LEU CB . 11060 1 856 . 1 1 75 75 LEU CD1 C 13 25.552 0 . 2 . . . . 136 LEU CD1 . 11060 1 857 . 1 1 75 75 LEU CD2 C 13 23.47 0 . 2 . . . . 136 LEU CD2 . 11060 1 858 . 1 1 75 75 LEU CG C 13 26.714 0 . 1 . . . . 136 LEU CG . 11060 1 859 . 1 1 75 75 LEU HA H 1 4.164 0 . 1 . . . . 136 LEU HA . 11060 1 860 . 1 1 75 75 LEU HB2 H 1 2.038 0 . 2 . . . . 136 LEU HB2 . 11060 1 861 . 1 1 75 75 LEU HB3 H 1 1.691 0 . 2 . . . . 136 LEU HB3 . 11060 1 862 . 1 1 75 75 LEU HG H 1 1.984 0 . 1 . . . . 136 LEU HG . 11060 1 863 . 1 1 75 75 LEU H H 1 8.159 0 . 1 . . . . 136 LEU HN . 11060 1 864 . 1 1 75 75 LEU N N 15 118.009 0 . 1 . . . . 136 LEU N . 11060 1 865 . 1 1 75 75 LEU HD11 H 1 1.063 0 . 1 . . . . 136 LEU QD1 . 11060 1 866 . 1 1 75 75 LEU HD12 H 1 1.063 0 . 1 . . . . 136 LEU QD1 . 11060 1 867 . 1 1 75 75 LEU HD13 H 1 1.063 0 . 1 . . . . 136 LEU QD1 . 11060 1 868 . 1 1 75 75 LEU HD21 H 1 0.947 0 . 1 . . . . 136 LEU QD2 . 11060 1 869 . 1 1 75 75 LEU HD22 H 1 0.947 0 . 1 . . . . 136 LEU QD2 . 11060 1 870 . 1 1 75 75 LEU HD23 H 1 0.947 0 . 1 . . . . 136 LEU QD2 . 11060 1 871 . 1 1 76 76 SER CA C 13 58.446 0 . 1 . . . . 137 SER CA . 11060 1 872 . 1 1 76 76 SER CB C 13 63.709 0.001 . 1 . . . . 137 SER CB . 11060 1 873 . 1 1 76 76 SER HA H 1 4.808 0 . 1 . . . . 137 SER HA . 11060 1 874 . 1 1 76 76 SER HB2 H 1 4.164 0 . 2 . . . . 137 SER HB2 . 11060 1 875 . 1 1 76 76 SER HB3 H 1 4.102 0 . 2 . . . . 137 SER HB3 . 11060 1 876 . 1 1 76 76 SER H H 1 7.713 0 . 1 . . . . 137 SER HN . 11060 1 877 . 1 1 76 76 SER N N 15 111.428 0 . 1 . . . . 137 SER N . 11060 1 878 . 1 1 77 77 GLY CA C 13 46.311 0.001 . 1 . . . . 138 GLY CA . 11060 1 879 . 1 1 77 77 GLY HA2 H 1 4.815 0 . 1 . . . . 138 GLY HA1 . 11060 1 880 . 1 1 77 77 GLY HA3 H 1 3.86 0.001 . 2 . . . . 138 GLY HA2 . 11060 1 881 . 1 1 77 77 GLY H H 1 7.779 0 . 1 . . . . 138 GLY HN . 11060 1 882 . 1 1 77 77 GLY N N 15 112.185 0 . 1 . . . . 138 GLY N . 11060 1 883 . 1 1 78 78 ARG CA C 13 61.186 0 . 1 . . . . 139 ARG CA . 11060 1 884 . 1 1 78 78 ARG CB C 13 29.871 0.001 . 1 . . . . 139 ARG CB . 11060 1 885 . 1 1 78 78 ARG CD C 13 43.28 0 . 1 . . . . 139 ARG CD . 11060 1 886 . 1 1 78 78 ARG CG C 13 28.763 0.07 . 1 . . . . 139 ARG CG . 11060 1 887 . 1 1 78 78 ARG HA H 1 3.853 0 . 1 . . . . 139 ARG HA . 11060 1 888 . 1 1 78 78 ARG HB2 H 1 2.052 0 . 2 . . . . 139 ARG HB2 . 11060 1 889 . 1 1 78 78 ARG HB3 H 1 1.982 0 . 2 . . . . 139 ARG HB3 . 11060 1 890 . 1 1 78 78 ARG HG2 H 1 1.921 0 . 2 . . . . 139 ARG HG2 . 11060 1 891 . 1 1 78 78 ARG HG3 H 1 1.669 0 . 2 . . . . 139 ARG HG3 . 11060 1 892 . 1 1 78 78 ARG H H 1 8.311 0 . 1 . . . . 139 ARG HN . 11060 1 893 . 1 1 78 78 ARG N N 15 121.172 0 . 1 . . . . 139 ARG N . 11060 1 894 . 1 1 78 78 ARG HD2 H 1 3.415 0 . 2 . . . . 139 ARG QD . 11060 1 895 . 1 1 79 79 ASP CA C 13 57.533 0 . 1 . . . . 140 ASP CA . 11060 1 896 . 1 1 79 79 ASP CB C 13 39.905 0.008 . 1 . . . . 140 ASP CB . 11060 1 897 . 1 1 79 79 ASP HA H 1 4.63 0 . 1 . . . . 140 ASP HA . 11060 1 898 . 1 1 79 79 ASP HB2 H 1 2.853 0 . 2 . . . . 140 ASP HB2 . 11060 1 899 . 1 1 79 79 ASP HB3 H 1 2.771 0 . 2 . . . . 140 ASP HB3 . 11060 1 900 . 1 1 79 79 ASP H H 1 8.749 0 . 1 . . . . 140 ASP HN . 11060 1 901 . 1 1 79 79 ASP N N 15 114.843 0 . 1 . . . . 140 ASP N . 11060 1 902 . 1 1 80 80 ILE CA C 13 63.732 0 . 1 . . . . 141 ILE CA . 11060 1 903 . 1 1 80 80 ILE CB C 13 38.239 0 . 1 . . . . 141 ILE CB . 11060 1 904 . 1 1 80 80 ILE CD1 C 13 13 0 . 1 . . . . 141 ILE CD1 . 11060 1 905 . 1 1 80 80 ILE CG1 C 13 28.52 0.077 . 1 . . . . 141 ILE CG1 . 11060 1 906 . 1 1 80 80 ILE CG2 C 13 17.24 0 . 1 . . . . 141 ILE CG2 . 11060 1 907 . 1 1 80 80 ILE HA H 1 4.07 0 . 1 . . . . 141 ILE HA . 11060 1 908 . 1 1 80 80 ILE HB H 1 2.146 0 . 1 . . . . 141 ILE HB . 11060 1 909 . 1 1 80 80 ILE HG12 H 1 1.756 0 . 2 . . . . 141 ILE HG12 . 11060 1 910 . 1 1 80 80 ILE HG13 H 1 1.369 0 . 2 . . . . 141 ILE HG13 . 11060 1 911 . 1 1 80 80 ILE H H 1 7.565 0 . 1 . . . . 141 ILE HN . 11060 1 912 . 1 1 80 80 ILE N N 15 121.986 0 . 1 . . . . 141 ILE N . 11060 1 913 . 1 1 80 80 ILE HD11 H 1 1.057 0 . 1 . . . . 141 ILE QD1 . 11060 1 914 . 1 1 80 80 ILE HD12 H 1 1.057 0 . 1 . . . . 141 ILE QD1 . 11060 1 915 . 1 1 80 80 ILE HD13 H 1 1.057 0 . 1 . . . . 141 ILE QD1 . 11060 1 916 . 1 1 80 80 ILE HG21 H 1 1.05 0 . 1 . . . . 141 ILE QG2 . 11060 1 917 . 1 1 80 80 ILE HG22 H 1 1.05 0 . 1 . . . . 141 ILE QG2 . 11060 1 918 . 1 1 80 80 ILE HG23 H 1 1.05 0 . 1 . . . . 141 ILE QG2 . 11060 1 919 . 1 1 81 81 ILE CA C 13 66.387 0 . 1 . . . . 142 ILE CA . 11060 1 920 . 1 1 81 81 ILE CB C 13 38.194 0 . 1 . . . . 142 ILE CB . 11060 1 921 . 1 1 81 81 ILE CD1 C 13 14.169 0 . 1 . . . . 142 ILE CD1 . 11060 1 922 . 1 1 81 81 ILE CG1 C 13 29.062 0.009 . 1 . . . . 142 ILE CG1 . 11060 1 923 . 1 1 81 81 ILE CG2 C 13 18.485 0 . 1 . . . . 142 ILE CG2 . 11060 1 924 . 1 1 81 81 ILE HA H 1 3.531 0 . 1 . . . . 142 ILE HA . 11060 1 925 . 1 1 81 81 ILE HB H 1 1.854 0 . 1 . . . . 142 ILE HB . 11060 1 926 . 1 1 81 81 ILE HG12 H 1 1.921 0 . 2 . . . . 142 ILE HG12 . 11060 1 927 . 1 1 81 81 ILE HG13 H 1 0.89 0 . 2 . . . . 142 ILE HG13 . 11060 1 928 . 1 1 81 81 ILE H H 1 8.309 0 . 1 . . . . 142 ILE HN . 11060 1 929 . 1 1 81 81 ILE N N 15 121.735 0 . 1 . . . . 142 ILE N . 11060 1 930 . 1 1 81 81 ILE HD11 H 1 0.955 0 . 1 . . . . 142 ILE QD1 . 11060 1 931 . 1 1 81 81 ILE HD12 H 1 0.955 0 . 1 . . . . 142 ILE QD1 . 11060 1 932 . 1 1 81 81 ILE HD13 H 1 0.955 0 . 1 . . . . 142 ILE QD1 . 11060 1 933 . 1 1 81 81 ILE HG21 H 1 0.965 0 . 1 . . . . 142 ILE QG2 . 11060 1 934 . 1 1 81 81 ILE HG22 H 1 0.965 0 . 1 . . . . 142 ILE QG2 . 11060 1 935 . 1 1 81 81 ILE HG23 H 1 0.965 0 . 1 . . . . 142 ILE QG2 . 11060 1 936 . 1 1 82 82 ASN CA C 13 56.121 0 . 1 . . . . 143 ASN CA . 11060 1 937 . 1 1 82 82 ASN CB C 13 38.023 0 . 1 . . . . 143 ASN CB . 11060 1 938 . 1 1 82 82 ASN HA H 1 4.369 0 . 1 . . . . 143 ASN HA . 11060 1 939 . 1 1 82 82 ASN HB2 H 1 3.141 0 . 2 . . . . 143 ASN HB2 . 11060 1 940 . 1 1 82 82 ASN HB3 H 1 3.04 0 . 2 . . . . 143 ASN HB3 . 11060 1 941 . 1 1 82 82 ASN H H 1 8.919 0 . 1 . . . . 143 ASN HN . 11060 1 942 . 1 1 82 82 ASN N N 15 118.128 0 . 1 . . . . 143 ASN N . 11060 1 943 . 1 1 82 82 ASN ND2 N 15 108.582 0 . 1 . . . . 143 ASN ND2 . 11060 1 944 . 1 1 82 82 ASN HD21 H 1 7.515 0 . 4 . . . . 143 ASN QD2 . 11060 1 945 . 1 1 82 82 ASN HD22 H 1 7.515 0 . 4 . . . . 143 ASN QD2 . 11060 1 946 . 1 1 83 83 ALA CA C 13 55.23 0 . 1 . . . . 144 ALA CA . 11060 1 947 . 1 1 83 83 ALA CB C 13 18.378 0 . 1 . . . . 144 ALA CB . 11060 1 948 . 1 1 83 83 ALA HA H 1 4.31 0 . 1 . . . . 144 ALA HA . 11060 1 949 . 1 1 83 83 ALA H H 1 7.687 0 . 1 . . . . 144 ALA HN . 11060 1 950 . 1 1 83 83 ALA N N 15 122.048 0 . 1 . . . . 144 ALA N . 11060 1 951 . 1 1 83 83 ALA HB1 H 1 1.715 0 . 1 . . . . 144 ALA QB . 11060 1 952 . 1 1 83 83 ALA HB2 H 1 1.715 0 . 1 . . . . 144 ALA QB . 11060 1 953 . 1 1 83 83 ALA HB3 H 1 1.715 0 . 1 . . . . 144 ALA QB . 11060 1 954 . 1 1 84 84 ARG CA C 13 58.842 0 . 1 . . . . 145 ARG CA . 11060 1 955 . 1 1 84 84 ARG CB C 13 30.415 0 . 1 . . . . 145 ARG CB . 11060 1 956 . 1 1 84 84 ARG CD C 13 43.058 0.003 . 1 . . . . 145 ARG CD . 11060 1 957 . 1 1 84 84 ARG CG C 13 27.316 0 . 1 . . . . 145 ARG CG . 11060 1 958 . 1 1 84 84 ARG HA H 1 4.297 0 . 1 . . . . 145 ARG HA . 11060 1 959 . 1 1 84 84 ARG HD2 H 1 3.362 0 . 2 . . . . 145 ARG HD2 . 11060 1 960 . 1 1 84 84 ARG HD3 H 1 3.161 0 . 2 . . . . 145 ARG HD3 . 11060 1 961 . 1 1 84 84 ARG HG2 H 1 2.063 0 . 2 . . . . 145 ARG HG2 . 11060 1 962 . 1 1 84 84 ARG HG3 H 1 1.842 0 . 2 . . . . 145 ARG HG3 . 11060 1 963 . 1 1 84 84 ARG H H 1 8.579 0 . 1 . . . . 145 ARG HN . 11060 1 964 . 1 1 84 84 ARG N N 15 119.43 0 . 1 . . . . 145 ARG N . 11060 1 965 . 1 1 84 84 ARG HB2 H 1 2.022 0 . 2 . . . . 145 ARG QB . 11060 1 966 . 1 1 85 85 LEU CA C 13 57.861 0 . 1 . . . . 146 LEU CA . 11060 1 967 . 1 1 85 85 LEU CB C 13 41.584 0.005 . 1 . . . . 146 LEU CB . 11060 1 968 . 1 1 85 85 LEU CD1 C 13 25.674 0 . 2 . . . . 146 LEU CD1 . 11060 1 969 . 1 1 85 85 LEU CD2 C 13 25.106 0 . 2 . . . . 146 LEU CD2 . 11060 1 970 . 1 1 85 85 LEU CG C 13 27.168 0 . 1 . . . . 146 LEU CG . 11060 1 971 . 1 1 85 85 LEU HA H 1 4.054 0 . 1 . . . . 146 LEU HA . 11060 1 972 . 1 1 85 85 LEU HB2 H 1 1.896 0 . 2 . . . . 146 LEU HB2 . 11060 1 973 . 1 1 85 85 LEU HB3 H 1 1.678 0 . 2 . . . . 146 LEU HB3 . 11060 1 974 . 1 1 85 85 LEU HG H 1 1.782 0 . 1 . . . . 146 LEU HG . 11060 1 975 . 1 1 85 85 LEU H H 1 9.083 0 . 1 . . . . 146 LEU HN . 11060 1 976 . 1 1 85 85 LEU N N 15 119.149 0 . 1 . . . . 146 LEU N . 11060 1 977 . 1 1 85 85 LEU HD11 H 1 1.055 0 . 1 . . . . 146 LEU QD1 . 11060 1 978 . 1 1 85 85 LEU HD12 H 1 1.055 0 . 1 . . . . 146 LEU QD1 . 11060 1 979 . 1 1 85 85 LEU HD13 H 1 1.055 0 . 1 . . . . 146 LEU QD1 . 11060 1 980 . 1 1 85 85 LEU HD21 H 1 0.914 0 . 1 . . . . 146 LEU QD2 . 11060 1 981 . 1 1 85 85 LEU HD22 H 1 0.914 0 . 1 . . . . 146 LEU QD2 . 11060 1 982 . 1 1 85 85 LEU HD23 H 1 0.914 0 . 1 . . . . 146 LEU QD2 . 11060 1 983 . 1 1 86 86 ARG CA C 13 60.723 0 . 1 . . . . 147 ARG CA . 11060 1 984 . 1 1 86 86 ARG CB C 13 29.549 0 . 1 . . . . 147 ARG CB . 11060 1 985 . 1 1 86 86 ARG CD C 13 43.112 0.031 . 1 . . . . 147 ARG CD . 11060 1 986 . 1 1 86 86 ARG CG C 13 26.821 0.005 . 1 . . . . 147 ARG CG . 11060 1 987 . 1 1 86 86 ARG HA H 1 3.774 0 . 1 . . . . 147 ARG HA . 11060 1 988 . 1 1 86 86 ARG HD2 H 1 3.356 0 . 2 . . . . 147 ARG HD2 . 11060 1 989 . 1 1 86 86 ARG HD3 H 1 3.174 0 . 2 . . . . 147 ARG HD3 . 11060 1 990 . 1 1 86 86 ARG HG2 H 1 1.732 0 . 2 . . . . 147 ARG HG2 . 11060 1 991 . 1 1 86 86 ARG HG3 H 1 1.583 0 . 2 . . . . 147 ARG HG3 . 11060 1 992 . 1 1 86 86 ARG H H 1 7.971 0 . 1 . . . . 147 ARG HN . 11060 1 993 . 1 1 86 86 ARG N N 15 118.395 0 . 1 . . . . 147 ARG N . 11060 1 994 . 1 1 86 86 ARG HB2 H 1 2.137 0 . 2 . . . . 147 ARG QB . 11060 1 995 . 1 1 87 87 GLU CA C 13 59.392 0 . 1 . . . . 148 GLU CA . 11060 1 996 . 1 1 87 87 GLU CB C 13 29.74 0.001 . 1 . . . . 148 GLU CB . 11060 1 997 . 1 1 87 87 GLU CG C 13 36.335 0.012 . 1 . . . . 148 GLU CG . 11060 1 998 . 1 1 87 87 GLU HA H 1 4.12 0 . 1 . . . . 148 GLU HA . 11060 1 999 . 1 1 87 87 GLU HB2 H 1 2.363 0 . 2 . . . . 148 GLU HB2 . 11060 1 1000 . 1 1 87 87 GLU HB3 H 1 2.28 0 . 2 . . . . 148 GLU HB3 . 11060 1 1001 . 1 1 87 87 GLU HG2 H 1 2.532 0 . 2 . . . . 148 GLU HG2 . 11060 1 1002 . 1 1 87 87 GLU HG3 H 1 2.426 0 . 2 . . . . 148 GLU HG3 . 11060 1 1003 . 1 1 87 87 GLU H H 1 7.895 0 . 1 . . . . 148 GLU HN . 11060 1 1004 . 1 1 87 87 GLU N N 15 116.934 0 . 1 . . . . 148 GLU N . 11060 1 1005 . 1 1 88 88 GLU CA C 13 58.455 0 . 1 . . . . 149 GLU CA . 11060 1 1006 . 1 1 88 88 GLU CB C 13 29.306 0.001 . 1 . . . . 149 GLU CB . 11060 1 1007 . 1 1 88 88 GLU CG C 13 35.343 0.008 . 1 . . . . 149 GLU CG . 11060 1 1008 . 1 1 88 88 GLU HA H 1 4.279 0 . 1 . . . . 149 GLU HA . 11060 1 1009 . 1 1 88 88 GLU HB2 H 1 2.166 0 . 2 . . . . 149 GLU HB2 . 11060 1 1010 . 1 1 88 88 GLU HB3 H 1 1.957 0 . 2 . . . . 149 GLU HB3 . 11060 1 1011 . 1 1 88 88 GLU HG2 H 1 2.705 0 . 2 . . . . 149 GLU HG2 . 11060 1 1012 . 1 1 88 88 GLU HG3 H 1 2.45 0 . 2 . . . . 149 GLU HG3 . 11060 1 1013 . 1 1 88 88 GLU H H 1 8.228 0 . 1 . . . . 149 GLU HN . 11060 1 1014 . 1 1 88 88 GLU N N 15 116.458 0 . 1 . . . . 149 GLU N . 11060 1 1015 . 1 1 89 89 LEU CA C 13 57.767 0 . 1 . . . . 150 LEU CA . 11060 1 1016 . 1 1 89 89 LEU CB C 13 42.45 0.002 . 1 . . . . 150 LEU CB . 11060 1 1017 . 1 1 89 89 LEU CD1 C 13 26.163 0 . 2 . . . . 150 LEU CD1 . 11060 1 1018 . 1 1 89 89 LEU CD2 C 13 23.196 0 . 2 . . . . 150 LEU CD2 . 11060 1 1019 . 1 1 89 89 LEU CG C 13 27.104 0 . 1 . . . . 150 LEU CG . 11060 1 1020 . 1 1 89 89 LEU HA H 1 4.239 0 . 1 . . . . 150 LEU HA . 11060 1 1021 . 1 1 89 89 LEU HB2 H 1 2.06 0 . 2 . . . . 150 LEU HB2 . 11060 1 1022 . 1 1 89 89 LEU HB3 H 1 1.473 0 . 2 . . . . 150 LEU HB3 . 11060 1 1023 . 1 1 89 89 LEU HG H 1 2.111 0 . 1 . . . . 150 LEU HG . 11060 1 1024 . 1 1 89 89 LEU H H 1 8.401 0 . 1 . . . . 150 LEU HN . 11060 1 1025 . 1 1 89 89 LEU N N 15 117.854 0 . 1 . . . . 150 LEU N . 11060 1 1026 . 1 1 89 89 LEU HD11 H 1 0.906 0 . 1 . . . . 150 LEU QD1 . 11060 1 1027 . 1 1 89 89 LEU HD12 H 1 0.906 0 . 1 . . . . 150 LEU QD1 . 11060 1 1028 . 1 1 89 89 LEU HD13 H 1 0.906 0 . 1 . . . . 150 LEU QD1 . 11060 1 1029 . 1 1 89 89 LEU HD21 H 1 0.871 0 . 1 . . . . 150 LEU QD2 . 11060 1 1030 . 1 1 89 89 LEU HD22 H 1 0.871 0 . 1 . . . . 150 LEU QD2 . 11060 1 1031 . 1 1 89 89 LEU HD23 H 1 0.871 0 . 1 . . . . 150 LEU QD2 . 11060 1 1032 . 1 1 90 90 ASP CA C 13 56.503 0 . 1 . . . . 151 ASP CA . 11060 1 1033 . 1 1 90 90 ASP CB C 13 42.435 0.006 . 1 . . . . 151 ASP CB . 11060 1 1034 . 1 1 90 90 ASP HA H 1 5.034 0 . 1 . . . . 151 ASP HA . 11060 1 1035 . 1 1 90 90 ASP HB2 H 1 3.008 0 . 2 . . . . 151 ASP HB2 . 11060 1 1036 . 1 1 90 90 ASP HB3 H 1 2.727 0 . 2 . . . . 151 ASP HB3 . 11060 1 1037 . 1 1 90 90 ASP H H 1 8.524 0 . 1 . . . . 151 ASP HN . 11060 1 1038 . 1 1 90 90 ASP N N 15 118.978 0 . 1 . . . . 151 ASP N . 11060 1 1039 . 1 1 91 91 LYS CA C 13 58.455 0 . 1 . . . . 152 LYS CA . 11060 1 1040 . 1 1 91 91 LYS CB C 13 33.021 0 . 1 . . . . 152 LYS CB . 11060 1 1041 . 1 1 91 91 LYS CD C 13 29.604 0 . 1 . . . . 152 LYS CD . 11060 1 1042 . 1 1 91 91 LYS CE C 13 41.93 0.045 . 1 . . . . 152 LYS CE . 11060 1 1043 . 1 1 91 91 LYS CG C 13 25.57 0.009 . 1 . . . . 152 LYS CG . 11060 1 1044 . 1 1 91 91 LYS HA H 1 4.279 0 . 1 . . . . 152 LYS HA . 11060 1 1045 . 1 1 91 91 LYS HE2 H 1 3.085 0 . 2 . . . . 152 LYS HE2 . 11060 1 1046 . 1 1 91 91 LYS HE3 H 1 3.022 0 . 2 . . . . 152 LYS HE3 . 11060 1 1047 . 1 1 91 91 LYS HG2 H 1 1.9 0 . 2 . . . . 152 LYS HG2 . 11060 1 1048 . 1 1 91 91 LYS HG3 H 1 1.645 0 . 2 . . . . 152 LYS HG3 . 11060 1 1049 . 1 1 91 91 LYS H H 1 7.348 0 . 1 . . . . 152 LYS HN . 11060 1 1050 . 1 1 91 91 LYS N N 15 114.172 0 . 1 . . . . 152 LYS N . 11060 1 1051 . 1 1 91 91 LYS HB2 H 1 2.065 0 . 2 . . . . 152 LYS QB . 11060 1 1052 . 1 1 91 91 LYS HD2 H 1 1.874 0 . 2 . . . . 152 LYS QD . 11060 1 1053 . 1 1 92 92 ILE CA C 13 61.448 0 . 1 . . . . 153 ILE CA . 11060 1 1054 . 1 1 92 92 ILE CB C 13 39.068 0 . 1 . . . . 153 ILE CB . 11060 1 1055 . 1 1 92 92 ILE CD1 C 13 13.291 0 . 1 . . . . 153 ILE CD1 . 11060 1 1056 . 1 1 92 92 ILE CG1 C 13 27.393 0.015 . 1 . . . . 153 ILE CG1 . 11060 1 1057 . 1 1 92 92 ILE CG2 C 13 18.141 0 . 1 . . . . 153 ILE CG2 . 11060 1 1058 . 1 1 92 92 ILE HA H 1 4.427 0 . 1 . . . . 153 ILE HA . 11060 1 1059 . 1 1 92 92 ILE HB H 1 2.243 0 . 1 . . . . 153 ILE HB . 11060 1 1060 . 1 1 92 92 ILE HG12 H 1 1.675 0 . 2 . . . . 153 ILE HG12 . 11060 1 1061 . 1 1 92 92 ILE HG13 H 1 1.543 0 . 2 . . . . 153 ILE HG13 . 11060 1 1062 . 1 1 92 92 ILE H H 1 7.597 0 . 1 . . . . 153 ILE HN . 11060 1 1063 . 1 1 92 92 ILE N N 15 114.441 0 . 1 . . . . 153 ILE N . 11060 1 1064 . 1 1 92 92 ILE HD11 H 1 1.002 0 . 1 . . . . 153 ILE QD1 . 11060 1 1065 . 1 1 92 92 ILE HD12 H 1 1.002 0 . 1 . . . . 153 ILE QD1 . 11060 1 1066 . 1 1 92 92 ILE HD13 H 1 1.002 0 . 1 . . . . 153 ILE QD1 . 11060 1 1067 . 1 1 92 92 ILE HG21 H 1 0.908 0 . 1 . . . . 153 ILE QG2 . 11060 1 1068 . 1 1 92 92 ILE HG22 H 1 0.908 0 . 1 . . . . 153 ILE QG2 . 11060 1 1069 . 1 1 92 92 ILE HG23 H 1 0.908 0 . 1 . . . . 153 ILE QG2 . 11060 1 1070 . 1 1 93 93 THR CA C 13 65.433 0 . 1 . . . . 154 THR CA . 11060 1 1071 . 1 1 93 93 THR CB C 13 67.799 0 . 1 . . . . 154 THR CB . 11060 1 1072 . 1 1 93 93 THR CG2 C 13 21.785 0 . 1 . . . . 154 THR CG2 . 11060 1 1073 . 1 1 93 93 THR HA H 1 3.879 0 . 1 . . . . 154 THR HA . 11060 1 1074 . 1 1 93 93 THR HB H 1 4.567 0 . 1 . . . . 154 THR HB . 11060 1 1075 . 1 1 93 93 THR H H 1 8.195 0 . 1 . . . . 154 THR HN . 11060 1 1076 . 1 1 93 93 THR N N 15 110.253 0.006 . 1 . . . . 154 THR N . 11060 1 1077 . 1 1 93 93 THR HG21 H 1 1.34 0 . 1 . . . . 154 THR QG2 . 11060 1 1078 . 1 1 93 93 THR HG22 H 1 1.34 0 . 1 . . . . 154 THR QG2 . 11060 1 1079 . 1 1 93 93 THR HG23 H 1 1.34 0 . 1 . . . . 154 THR QG2 . 11060 1 1080 . 1 1 94 94 ASP CA C 13 57.822 0 . 1 . . . . 155 ASP CA . 11060 1 1081 . 1 1 94 94 ASP CB C 13 41.397 0.008 . 1 . . . . 155 ASP CB . 11060 1 1082 . 1 1 94 94 ASP HA H 1 4.514 0 . 1 . . . . 155 ASP HA . 11060 1 1083 . 1 1 94 94 ASP HB2 H 1 2.976 0 . 2 . . . . 155 ASP HB2 . 11060 1 1084 . 1 1 94 94 ASP HB3 H 1 2.672 0 . 2 . . . . 155 ASP HB3 . 11060 1 1085 . 1 1 94 94 ASP H H 1 8.474 0 . 1 . . . . 155 ASP HN . 11060 1 1086 . 1 1 94 94 ASP N N 15 124.348 0 . 1 . . . . 155 ASP N . 11060 1 1087 . 1 1 95 95 ARG CA C 13 57.783 0 . 1 . . . . 156 ARG CA . 11060 1 1088 . 1 1 95 95 ARG CB C 13 29.386 0.004 . 1 . . . . 156 ARG CB . 11060 1 1089 . 1 1 95 95 ARG CD C 13 43.112 0 . 1 . . . . 156 ARG CD . 11060 1 1090 . 1 1 95 95 ARG CG C 13 26.031 0.003 . 1 . . . . 156 ARG CG . 11060 1 1091 . 1 1 95 95 ARG HA H 1 4.173 0 . 1 . . . . 156 ARG HA . 11060 1 1092 . 1 1 95 95 ARG HB2 H 1 1.765 0 . 2 . . . . 156 ARG HB2 . 11060 1 1093 . 1 1 95 95 ARG HB3 H 1 1.638 0 . 2 . . . . 156 ARG HB3 . 11060 1 1094 . 1 1 95 95 ARG HG2 H 1 1.343 0 . 2 . . . . 156 ARG HG2 . 11060 1 1095 . 1 1 95 95 ARG HG3 H 1 1.149 0 . 2 . . . . 156 ARG HG3 . 11060 1 1096 . 1 1 95 95 ARG H H 1 7.68 0 . 1 . . . . 156 ARG HN . 11060 1 1097 . 1 1 95 95 ARG N N 15 117.839 0 . 1 . . . . 156 ARG N . 11060 1 1098 . 1 1 95 95 ARG HD2 H 1 2.926 0 . 2 . . . . 156 ARG QD . 11060 1 1099 . 1 1 96 96 TRP CB C 13 29.856 0.001 . 1 . . . . 157 TRP CB . 11060 1 1100 . 1 1 96 96 TRP CD1 C 13 125.727 0 . 1 . . . . 157 TRP CD1 . 11060 1 1101 . 1 1 96 96 TRP CE3 C 13 119.855 0 . 1 . . . . 157 TRP CE3 . 11060 1 1102 . 1 1 96 96 TRP CH2 C 13 124.415 0 . 1 . . . . 157 TRP CH2 . 11060 1 1103 . 1 1 96 96 TRP CZ2 C 13 114.569 0 . 1 . . . . 157 TRP CZ2 . 11060 1 1104 . 1 1 96 96 TRP CZ3 C 13 121.306 0 . 1 . . . . 157 TRP CZ3 . 11060 1 1105 . 1 1 96 96 TRP HA H 1 4.943 0.001 . 1 . . . . 157 TRP HA . 11060 1 1106 . 1 1 96 96 TRP HB2 H 1 3.532 0 . 2 . . . . 157 TRP HB2 . 11060 1 1107 . 1 1 96 96 TRP HB3 H 1 3.161 0 . 2 . . . . 157 TRP HB3 . 11060 1 1108 . 1 1 96 96 TRP HD1 H 1 7.288 0 . 1 . . . . 157 TRP HD1 . 11060 1 1109 . 1 1 96 96 TRP HE1 H 1 10.326 0 . 1 . . . . 157 TRP HE1 . 11060 1 1110 . 1 1 96 96 TRP HE3 H 1 7.5 0 . 1 . . . . 157 TRP HE3 . 11060 1 1111 . 1 1 96 96 TRP HH2 H 1 7.176 0 . 1 . . . . 157 TRP HH2 . 11060 1 1112 . 1 1 96 96 TRP H H 1 7.88 0 . 1 . . . . 157 TRP HN . 11060 1 1113 . 1 1 96 96 TRP HZ2 H 1 7.533 0 . 1 . . . . 157 TRP HZ2 . 11060 1 1114 . 1 1 96 96 TRP HZ3 H 1 7.001 0 . 1 . . . . 157 TRP HZ3 . 11060 1 1115 . 1 1 96 96 TRP N N 15 117.944 0 . 1 . . . . 157 TRP N . 11060 1 1116 . 1 1 96 96 TRP NE1 N 15 128.873 0 . 1 . . . . 157 TRP NE1 . 11060 1 1117 . 1 1 97 97 GLY CA C 13 46.688 0 . 1 . . . . 158 GLY CA . 11060 1 1118 . 1 1 97 97 GLY HA2 H 1 4.411 0 . 1 . . . . 158 GLY HA1 . 11060 1 1119 . 1 1 97 97 GLY HA3 H 1 4.249 0 . 2 . . . . 158 GLY HA2 . 11060 1 1120 . 1 1 97 97 GLY H H 1 7.972 0 . 1 . . . . 158 GLY HN . 11060 1 1121 . 1 1 97 97 GLY N N 15 104.253 0 . 1 . . . . 158 GLY N . 11060 1 1122 . 1 1 98 98 VAL CA C 13 60.417 0 . 1 . . . . 159 VAL CA . 11060 1 1123 . 1 1 98 98 VAL CB C 13 36.365 0 . 1 . . . . 159 VAL CB . 11060 1 1124 . 1 1 98 98 VAL CG1 C 13 21.619 0 . 2 . . . . 159 VAL CG1 . 11060 1 1125 . 1 1 98 98 VAL CG2 C 13 20.665 0 . 2 . . . . 159 VAL CG2 . 11060 1 1126 . 1 1 98 98 VAL HA H 1 5.012 0 . 1 . . . . 159 VAL HA . 11060 1 1127 . 1 1 98 98 VAL HB H 1 2.02 0 . 1 . . . . 159 VAL HB . 11060 1 1128 . 1 1 98 98 VAL H H 1 7.468 0 . 1 . . . . 159 VAL HN . 11060 1 1129 . 1 1 98 98 VAL N N 15 115.979 0 . 1 . . . . 159 VAL N . 11060 1 1130 . 1 1 98 98 VAL HG11 H 1 0.907 0 . 1 . . . . 159 VAL QG1 . 11060 1 1131 . 1 1 98 98 VAL HG12 H 1 0.907 0 . 1 . . . . 159 VAL QG1 . 11060 1 1132 . 1 1 98 98 VAL HG13 H 1 0.907 0 . 1 . . . . 159 VAL QG1 . 11060 1 1133 . 1 1 98 98 VAL HG21 H 1 0.784 0 . 1 . . . . 159 VAL QG2 . 11060 1 1134 . 1 1 98 98 VAL HG22 H 1 0.784 0 . 1 . . . . 159 VAL QG2 . 11060 1 1135 . 1 1 98 98 VAL HG23 H 1 0.784 0 . 1 . . . . 159 VAL QG2 . 11060 1 1136 . 1 1 99 99 LYS CA C 13 53.521 0 . 1 . . . . 160 LYS CA . 11060 1 1137 . 1 1 99 99 LYS CB C 13 36.083 0.005 . 1 . . . . 160 LYS CB . 11060 1 1138 . 1 1 99 99 LYS CD C 13 28.536 0.025 . 1 . . . . 160 LYS CD . 11060 1 1139 . 1 1 99 99 LYS CE C 13 41.695 0 . 1 . . . . 160 LYS CE . 11060 1 1140 . 1 1 99 99 LYS CG C 13 24.294 0.016 . 1 . . . . 160 LYS CG . 11060 1 1141 . 1 1 99 99 LYS HA H 1 5.053 0 . 1 . . . . 160 LYS HA . 11060 1 1142 . 1 1 99 99 LYS HB2 H 1 1.927 0 . 2 . . . . 160 LYS HB2 . 11060 1 1143 . 1 1 99 99 LYS HB3 H 1 1.838 0 . 2 . . . . 160 LYS HB3 . 11060 1 1144 . 1 1 99 99 LYS HD2 H 1 1.917 0 . 2 . . . . 160 LYS HD2 . 11060 1 1145 . 1 1 99 99 LYS HD3 H 1 1.847 0 . 2 . . . . 160 LYS HD3 . 11060 1 1146 . 1 1 99 99 LYS HG2 H 1 1.556 0 . 2 . . . . 160 LYS HG2 . 11060 1 1147 . 1 1 99 99 LYS HG3 H 1 1.339 0 . 2 . . . . 160 LYS HG3 . 11060 1 1148 . 1 1 99 99 LYS H H 1 9.259 0 . 1 . . . . 160 LYS HN . 11060 1 1149 . 1 1 99 99 LYS N N 15 126.977 0 . 1 . . . . 160 LYS N . 11060 1 1150 . 1 1 99 99 LYS HE2 H 1 3.047 0 . 2 . . . . 160 LYS QE . 11060 1 1151 . 1 1 100 100 ILE CB C 13 35.185 0 . 1 . . . . 161 ILE CB . 11060 1 1152 . 1 1 100 100 ILE CD1 C 13 9.636 0 . 1 . . . . 161 ILE CD1 . 11060 1 1153 . 1 1 100 100 ILE CG1 C 13 26.155 0.003 . 1 . . . . 161 ILE CG1 . 11060 1 1154 . 1 1 100 100 ILE CG2 C 13 18.717 0.002 . 1 . . . . 161 ILE CG2 . 11060 1 1155 . 1 1 100 100 ILE HA H 1 4.896 0 . 1 . . . . 161 ILE HA . 11060 1 1156 . 1 1 100 100 ILE HB H 1 2.33 0 . 1 . . . . 161 ILE HB . 11060 1 1157 . 1 1 100 100 ILE HG12 H 1 2.109 0 . 2 . . . . 161 ILE HG12 . 11060 1 1158 . 1 1 100 100 ILE HG13 H 1 1.405 0 . 2 . . . . 161 ILE HG13 . 11060 1 1159 . 1 1 100 100 ILE H H 1 9.31 0 . 1 . . . . 161 ILE HN . 11060 1 1160 . 1 1 100 100 ILE N N 15 127.468 0 . 1 . . . . 161 ILE N . 11060 1 1161 . 1 1 100 100 ILE HD11 H 1 0.825 0 . 1 . . . . 161 ILE QD1 . 11060 1 1162 . 1 1 100 100 ILE HD12 H 1 0.825 0 . 1 . . . . 161 ILE QD1 . 11060 1 1163 . 1 1 100 100 ILE HD13 H 1 0.825 0 . 1 . . . . 161 ILE QD1 . 11060 1 1164 . 1 1 100 100 ILE HG21 H 1 1.121 0 . 1 . . . . 161 ILE QG2 . 11060 1 1165 . 1 1 100 100 ILE HG22 H 1 1.121 0 . 1 . . . . 161 ILE QG2 . 11060 1 1166 . 1 1 100 100 ILE HG23 H 1 1.121 0 . 1 . . . . 161 ILE QG2 . 11060 1 1167 . 1 1 101 101 THR CA C 13 63.075 0 . 1 . . . . 162 THR CA . 11060 1 1168 . 1 1 101 101 THR CB C 13 67.345 0 . 1 . . . . 162 THR CB . 11060 1 1169 . 1 1 101 101 THR CG2 C 13 24.316 0 . 1 . . . . 162 THR CG2 . 11060 1 1170 . 1 1 101 101 THR HA H 1 4.254 0 . 1 . . . . 162 THR HA . 11060 1 1171 . 1 1 101 101 THR HB H 1 4.192 0 . 1 . . . . 162 THR HB . 11060 1 1172 . 1 1 101 101 THR H H 1 8.783 0 . 1 . . . . 162 THR HN . 11060 1 1173 . 1 1 101 101 THR N N 15 120.609 0 . 1 . . . . 162 THR N . 11060 1 1174 . 1 1 101 101 THR HG21 H 1 1.213 0 . 1 . . . . 162 THR QG2 . 11060 1 1175 . 1 1 101 101 THR HG22 H 1 1.213 0 . 1 . . . . 162 THR QG2 . 11060 1 1176 . 1 1 101 101 THR HG23 H 1 1.213 0 . 1 . . . . 162 THR QG2 . 11060 1 1177 . 1 1 102 102 ARG CA C 13 55.929 0 . 1 . . . . 163 ARG CA . 11060 1 1178 . 1 1 102 102 ARG CB C 13 32.468 0.008 . 1 . . . . 163 ARG CB . 11060 1 1179 . 1 1 102 102 ARG CD C 13 43.405 0.003 . 1 . . . . 163 ARG CD . 11060 1 1180 . 1 1 102 102 ARG CG C 13 26.349 0.003 . 1 . . . . 163 ARG CG . 11060 1 1181 . 1 1 102 102 ARG HA H 1 4.606 0 . 1 . . . . 163 ARG HA . 11060 1 1182 . 1 1 102 102 ARG HB2 H 1 2.005 0 . 2 . . . . 163 ARG HB2 . 11060 1 1183 . 1 1 102 102 ARG HB3 H 1 1.84 0 . 2 . . . . 163 ARG HB3 . 11060 1 1184 . 1 1 102 102 ARG HD2 H 1 2.87 0 . 2 . . . . 163 ARG HD2 . 11060 1 1185 . 1 1 102 102 ARG HD3 H 1 2.788 0 . 2 . . . . 163 ARG HD3 . 11060 1 1186 . 1 1 102 102 ARG HG2 H 1 1.501 0 . 2 . . . . 163 ARG HG2 . 11060 1 1187 . 1 1 102 102 ARG HG3 H 1 1.433 0 . 2 . . . . 163 ARG HG3 . 11060 1 1188 . 1 1 102 102 ARG H H 1 7.669 0 . 1 . . . . 163 ARG HN . 11060 1 1189 . 1 1 102 102 ARG N N 15 118.258 0 . 1 . . . . 163 ARG N . 11060 1 1190 . 1 1 103 103 VAL CB C 13 35.09 0 . 1 . . . . 164 VAL CB . 11060 1 1191 . 1 1 103 103 VAL CG1 C 13 21.797 0 . 2 . . . . 164 VAL CG1 . 11060 1 1192 . 1 1 103 103 VAL CG2 C 13 22.591 0 . 2 . . . . 164 VAL CG2 . 11060 1 1193 . 1 1 103 103 VAL HA H 1 4.886 0 . 1 . . . . 164 VAL HA . 11060 1 1194 . 1 1 103 103 VAL HB H 1 2.307 0 . 1 . . . . 164 VAL HB . 11060 1 1195 . 1 1 103 103 VAL H H 1 8.7 0 . 1 . . . . 164 VAL HN . 11060 1 1196 . 1 1 103 103 VAL N N 15 122.135 0 . 1 . . . . 164 VAL N . 11060 1 1197 . 1 1 103 103 VAL HG11 H 1 1.115 0 . 1 . . . . 164 VAL QG1 . 11060 1 1198 . 1 1 103 103 VAL HG12 H 1 1.115 0 . 1 . . . . 164 VAL QG1 . 11060 1 1199 . 1 1 103 103 VAL HG13 H 1 1.115 0 . 1 . . . . 164 VAL QG1 . 11060 1 1200 . 1 1 103 103 VAL HG21 H 1 1.056 0 . 1 . . . . 164 VAL QG2 . 11060 1 1201 . 1 1 103 103 VAL HG22 H 1 1.056 0 . 1 . . . . 164 VAL QG2 . 11060 1 1202 . 1 1 103 103 VAL HG23 H 1 1.056 0 . 1 . . . . 164 VAL QG2 . 11060 1 1203 . 1 1 104 104 GLU CA C 13 54.469 0 . 1 . . . . 165 GLU CA . 11060 1 1204 . 1 1 104 104 GLU CB C 13 33.028 0.005 . 1 . . . . 165 GLU CB . 11060 1 1205 . 1 1 104 104 GLU CG C 13 36.357 0 . 1 . . . . 165 GLU CG . 11060 1 1206 . 1 1 104 104 GLU HA H 1 4.835 0 . 1 . . . . 165 GLU HA . 11060 1 1207 . 1 1 104 104 GLU HB2 H 1 2.08 0 . 2 . . . . 165 GLU HB2 . 11060 1 1208 . 1 1 104 104 GLU HB3 H 1 2.019 0 . 2 . . . . 165 GLU HB3 . 11060 1 1209 . 1 1 104 104 GLU H H 1 9.011 0 . 1 . . . . 165 GLU HN . 11060 1 1210 . 1 1 104 104 GLU N N 15 123.789 0 . 1 . . . . 165 GLU N . 11060 1 1211 . 1 1 104 104 GLU HG2 H 1 2.293 0 . 2 . . . . 165 GLU QG . 11060 1 1212 . 1 1 105 105 ILE CA C 13 61.576 0 . 1 . . . . 166 ILE CA . 11060 1 1213 . 1 1 105 105 ILE CB C 13 37.908 0 . 1 . . . . 166 ILE CB . 11060 1 1214 . 1 1 105 105 ILE CD1 C 13 13.471 0 . 1 . . . . 166 ILE CD1 . 11060 1 1215 . 1 1 105 105 ILE CG1 C 13 28.541 0 . 1 . . . . 166 ILE CG1 . 11060 1 1216 . 1 1 105 105 ILE CG2 C 13 18.621 0 . 1 . . . . 166 ILE CG2 . 11060 1 1217 . 1 1 105 105 ILE HA H 1 4.525 0 . 1 . . . . 166 ILE HA . 11060 1 1218 . 1 1 105 105 ILE HB H 1 2.016 0 . 1 . . . . 166 ILE HB . 11060 1 1219 . 1 1 105 105 ILE H H 1 9.869 0 . 1 . . . . 166 ILE HN . 11060 1 1220 . 1 1 105 105 ILE N N 15 130.058 0 . 1 . . . . 166 ILE N . 11060 1 1221 . 1 1 105 105 ILE HD11 H 1 0.951 0 . 1 . . . . 166 ILE QD1 . 11060 1 1222 . 1 1 105 105 ILE HD12 H 1 0.951 0 . 1 . . . . 166 ILE QD1 . 11060 1 1223 . 1 1 105 105 ILE HD13 H 1 0.951 0 . 1 . . . . 166 ILE QD1 . 11060 1 1224 . 1 1 105 105 ILE HG12 H 1 1.676 0 . 4 . . . . 166 ILE QG1 . 11060 1 1225 . 1 1 105 105 ILE HG13 H 1 1.676 0 . 4 . . . . 166 ILE QG1 . 11060 1 1226 . 1 1 105 105 ILE HG21 H 1 1.094 0 . 1 . . . . 166 ILE QG2 . 11060 1 1227 . 1 1 105 105 ILE HG22 H 1 1.094 0 . 1 . . . . 166 ILE QG2 . 11060 1 1228 . 1 1 105 105 ILE HG23 H 1 1.094 0 . 1 . . . . 166 ILE QG2 . 11060 1 1229 . 1 1 106 106 GLN CA C 13 55.964 0 . 1 . . . . 167 GLN CA . 11060 1 1230 . 1 1 106 106 GLN CB C 13 28.789 0.005 . 1 . . . . 167 GLN CB . 11060 1 1231 . 1 1 106 106 GLN CG C 13 34.052 0.035 . 1 . . . . 167 GLN CG . 11060 1 1232 . 1 1 106 106 GLN HA H 1 4.661 0 . 1 . . . . 167 GLN HA . 11060 1 1233 . 1 1 106 106 GLN HB2 H 1 2.508 0 . 2 . . . . 167 GLN HB2 . 11060 1 1234 . 1 1 106 106 GLN HB3 H 1 2.211 0 . 2 . . . . 167 GLN HB3 . 11060 1 1235 . 1 1 106 106 GLN HE21 H 1 7.246 0 . 2 . . . . 167 GLN HE21 . 11060 1 1236 . 1 1 106 106 GLN HE22 H 1 7.213 0 . 2 . . . . 167 GLN HE22 . 11060 1 1237 . 1 1 106 106 GLN HG2 H 1 2.496 0 . 2 . . . . 167 GLN HG2 . 11060 1 1238 . 1 1 106 106 GLN HG3 H 1 2.322 0 . 2 . . . . 167 GLN HG3 . 11060 1 1239 . 1 1 106 106 GLN H H 1 8.573 0 . 1 . . . . 167 GLN HN . 11060 1 1240 . 1 1 106 106 GLN N N 15 127.576 0 . 1 . . . . 167 GLN N . 11060 1 1241 . 1 1 106 106 GLN NE2 N 15 114.248 0.026 . 1 . . . . 167 GLN NE2 . 11060 1 1242 . 1 1 107 107 ARG CA C 13 56.113 0 . 1 . . . . 168 ARG CA . 11060 1 1243 . 1 1 107 107 ARG CB C 13 32.098 0 . 1 . . . . 168 ARG CB . 11060 1 1244 . 1 1 107 107 ARG CD C 13 43.769 0.004 . 1 . . . . 168 ARG CD . 11060 1 1245 . 1 1 107 107 ARG CG C 13 27.048 0.009 . 1 . . . . 168 ARG CG . 11060 1 1246 . 1 1 107 107 ARG HA H 1 4.468 0 . 1 . . . . 168 ARG HA . 11060 1 1247 . 1 1 107 107 ARG HD2 H 1 3.288 0 . 2 . . . . 168 ARG HD2 . 11060 1 1248 . 1 1 107 107 ARG HD3 H 1 3.179 0 . 2 . . . . 168 ARG HD3 . 11060 1 1249 . 1 1 107 107 ARG HG2 H 1 1.766 0 . 2 . . . . 168 ARG HG2 . 11060 1 1250 . 1 1 107 107 ARG HG3 H 1 1.679 0 . 2 . . . . 168 ARG HG3 . 11060 1 1251 . 1 1 107 107 ARG H H 1 8.762 0 . 1 . . . . 168 ARG HN . 11060 1 1252 . 1 1 107 107 ARG N N 15 122.725 0 . 1 . . . . 168 ARG N . 11060 1 1253 . 1 1 107 107 ARG HB3 H 1 1.863 0 . 2 . . . . 168 ARG QB . 11060 1 1254 . 1 1 108 108 ILE CA C 13 61.618 0 . 1 . . . . 169 ILE CA . 11060 1 1255 . 1 1 108 108 ILE CB C 13 39.583 0 . 1 . . . . 169 ILE CB . 11060 1 1256 . 1 1 108 108 ILE CD1 C 13 14.333 0 . 1 . . . . 169 ILE CD1 . 11060 1 1257 . 1 1 108 108 ILE CG1 C 13 27.718 0.015 . 1 . . . . 169 ILE CG1 . 11060 1 1258 . 1 1 108 108 ILE CG2 C 13 17.936 0 . 1 . . . . 169 ILE CG2 . 11060 1 1259 . 1 1 108 108 ILE HA H 1 4.451 0 . 1 . . . . 169 ILE HA . 11060 1 1260 . 1 1 108 108 ILE HB H 1 1.874 0 . 1 . . . . 169 ILE HB . 11060 1 1261 . 1 1 108 108 ILE HG12 H 1 1.58 0 . 2 . . . . 169 ILE HG12 . 11060 1 1262 . 1 1 108 108 ILE HG13 H 1 1.012 0 . 2 . . . . 169 ILE HG13 . 11060 1 1263 . 1 1 108 108 ILE H H 1 7.996 0 . 1 . . . . 169 ILE HN . 11060 1 1264 . 1 1 108 108 ILE N N 15 120.383 0 . 1 . . . . 169 ILE N . 11060 1 1265 . 1 1 108 108 ILE HD11 H 1 0.896 0 . 1 . . . . 169 ILE QD1 . 11060 1 1266 . 1 1 108 108 ILE HD12 H 1 0.896 0 . 1 . . . . 169 ILE QD1 . 11060 1 1267 . 1 1 108 108 ILE HD13 H 1 0.896 0 . 1 . . . . 169 ILE QD1 . 11060 1 1268 . 1 1 108 108 ILE HG21 H 1 0.757 0 . 1 . . . . 169 ILE QG2 . 11060 1 1269 . 1 1 108 108 ILE HG22 H 1 0.757 0 . 1 . . . . 169 ILE QG2 . 11060 1 1270 . 1 1 108 108 ILE HG23 H 1 0.757 0 . 1 . . . . 169 ILE QG2 . 11060 1 1271 . 1 1 109 109 ASP CA C 13 51.571 0 . 1 . . . . 170 ASP CA . 11060 1 1272 . 1 1 109 109 ASP CB C 13 42.763 0.002 . 1 . . . . 170 ASP CB . 11060 1 1273 . 1 1 109 109 ASP HA H 1 5.579 0 . 1 . . . . 170 ASP HA . 11060 1 1274 . 1 1 109 109 ASP HB2 H 1 2.839 0 . 2 . . . . 170 ASP HB2 . 11060 1 1275 . 1 1 109 109 ASP HB3 H 1 2.61 0 . 2 . . . . 170 ASP HB3 . 11060 1 1276 . 1 1 109 109 ASP H H 1 9.067 0 . 1 . . . . 170 ASP HN . 11060 1 1277 . 1 1 109 109 ASP N N 15 126.604 0 . 1 . . . . 170 ASP N . 11060 1 1278 . 1 1 110 110 PRO CA C 13 61.302 0 . 1 . . . . 171 PRO CA . 11060 1 1279 . 1 1 110 110 PRO CB C 13 30.857 0.005 . 1 . . . . 171 PRO CB . 11060 1 1280 . 1 1 110 110 PRO CD C 13 50.941 0.002 . 1 . . . . 171 PRO CD . 11060 1 1281 . 1 1 110 110 PRO CG C 13 26.832 0 . 1 . . . . 171 PRO CG . 11060 1 1282 . 1 1 110 110 PRO HA H 1 5.081 0 . 1 . . . . 171 PRO HA . 11060 1 1283 . 1 1 110 110 PRO HB2 H 1 2.371 0 . 2 . . . . 171 PRO HB2 . 11060 1 1284 . 1 1 110 110 PRO HB3 H 1 2.321 0 . 2 . . . . 171 PRO HB3 . 11060 1 1285 . 1 1 110 110 PRO HD2 H 1 4.197 0 . 2 . . . . 171 PRO HD2 . 11060 1 1286 . 1 1 110 110 PRO HD3 H 1 3.991 0 . 2 . . . . 171 PRO HD3 . 11060 1 1287 . 1 1 110 110 PRO HG2 H 1 2.164 0 . 2 . . . . 171 PRO QG . 11060 1 1288 . 1 1 111 111 PRO CA C 13 63.367 0 . 1 . . . . 172 PRO CA . 11060 1 1289 . 1 1 111 111 PRO CB C 13 32.05 0.045 . 1 . . . . 172 PRO CB . 11060 1 1290 . 1 1 111 111 PRO CD C 13 50.441 0.05 . 1 . . . . 172 PRO CD . 11060 1 1291 . 1 1 111 111 PRO CG C 13 27.968 0 . 1 . . . . 172 PRO CG . 11060 1 1292 . 1 1 111 111 PRO HA H 1 4.568 0 . 1 . . . . 172 PRO HA . 11060 1 1293 . 1 1 111 111 PRO HB2 H 1 2.493 0 . 2 . . . . 172 PRO HB2 . 11060 1 1294 . 1 1 111 111 PRO HB3 H 1 2.021 0 . 2 . . . . 172 PRO HB3 . 11060 1 1295 . 1 1 111 111 PRO HD2 H 1 4.125 0 . 2 . . . . 172 PRO HD2 . 11060 1 1296 . 1 1 111 111 PRO HD3 H 1 3.66 0 . 2 . . . . 172 PRO HD3 . 11060 1 1297 . 1 1 111 111 PRO HG2 H 1 2.217 0 . 2 . . . . 172 PRO QG . 11060 1 1298 . 1 1 112 112 LYS CA C 13 55.951 0 . 1 . . . . 173 LYS CA . 11060 1 1299 . 1 1 112 112 LYS CB C 13 33.412 0.015 . 1 . . . . 173 LYS CB . 11060 1 1300 . 1 1 112 112 LYS CD C 13 28.844 0 . 1 . . . . 173 LYS CD . 11060 1 1301 . 1 1 112 112 LYS CE C 13 41.932 0 . 1 . . . . 173 LYS CE . 11060 1 1302 . 1 1 112 112 LYS CG C 13 24.434 0 . 1 . . . . 173 LYS CG . 11060 1 1303 . 1 1 112 112 LYS HA H 1 4.465 0 . 1 . . . . 173 LYS HA . 11060 1 1304 . 1 1 112 112 LYS HB2 H 1 1.987 0 . 2 . . . . 173 LYS HB2 . 11060 1 1305 . 1 1 112 112 LYS HB3 H 1 1.862 0 . 2 . . . . 173 LYS HB3 . 11060 1 1306 . 1 1 112 112 LYS H H 1 8.533 0 . 1 . . . . 173 LYS HN . 11060 1 1307 . 1 1 112 112 LYS N N 15 122.499 0 . 1 . . . . 173 LYS N . 11060 1 1308 . 1 1 112 112 LYS HD2 H 1 1.805 0 . 2 . . . . 173 LYS QD . 11060 1 1309 . 1 1 112 112 LYS HE2 H 1 3.115 0 . 2 . . . . 173 LYS QE . 11060 1 1310 . 1 1 112 112 LYS HG2 H 1 1.6 0 . 2 . . . . 173 LYS QG . 11060 1 1311 . 1 1 113 113 ASP CA C 13 55.733 0 . 1 . . . . 174 ASP CA . 11060 1 1312 . 1 1 113 113 ASP CB C 13 42.273 0 . 1 . . . . 174 ASP CB . 11060 1 1313 . 1 1 113 113 ASP HA H 1 4.479 0 . 1 . . . . 174 ASP HA . 11060 1 1314 . 1 1 113 113 ASP HB2 H 1 2.777 0 . 2 . . . . 174 ASP HB2 . 11060 1 1315 . 1 1 113 113 ASP HB3 H 1 2.665 0 . 2 . . . . 174 ASP HB3 . 11060 1 1316 . 1 1 113 113 ASP H H 1 8.017 0 . 1 . . . . 174 ASP HN . 11060 1 1317 . 1 1 113 113 ASP N N 15 126.916 0 . 1 . . . . 174 ASP N . 11060 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 173 11060 1 1 174 11060 1 2 944 11060 1 2 945 11060 1 3 1224 11060 1 3 1225 11060 1 stop_ save_