data_18622 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18622 _Entry.Title ; Solution structure of second CARD of human RIG-I. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-07-27 _Entry.Accession_date 2012-07-27 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Kaushik Dutta . . . 18622 2 Jenish Patel . . . 18622 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18622 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18622 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18622 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 448 18622 '15N chemical shifts' 96 18622 '1H chemical shifts' 671 18622 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-18 2012-07-27 update BMRB 'update entry citation' 18622 1 . . 2012-10-19 2012-07-27 original author 'original release' 18622 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18623 'Solution structure of mutant (T170E) second CARD of human RIG-I' 18622 PDB 2LWD 'BMRB Entry Tracking System' 18622 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18622 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23063562 _Citation.Full_citation . _Citation.Title 'Structure and dynamics of the second CARD of human RIG-I provide mechanistic insights into regulation of RIG-I activation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full 'Structure (London, England : 1993)' _Citation.Journal_volume 20 _Citation.Journal_issue 12 _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 2048 _Citation.Page_last 2061 _Citation.Year 2012 _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 Fabien Ferrage . . . 18622 1 2 Kaushik Dutta . . . 18622 1 3 Estanislao Nistal-Villan . . . 18622 1 4 Jenish Patel . R. . 18622 1 5 Maria Sanchez-Aparicio . T. . 18622 1 6 Pablo 'De Ioannes' . . . 18622 1 7 Angeliki Buku . . . 18622 1 8 'Gloria Gonzalez' Aseguinolaza . . . 18622 1 9 Adolfo Garcia-Sastre . . . 18622 1 10 Aneel Aggarwal . K. . 18622 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18622 _Assembly.ID 1 _Assembly.Name 'second CARD of human RIG-I' _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 'second CARD of human RIG-I' 1 $card2 A . yes native no no . . . 18622 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_card2 _Entity.Sf_category entity _Entity.Sf_framecode card2 _Entity.Entry_ID 18622 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'second CARD of human RIG-I' _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 ; GSHMKKIEKLEEYRLLLKRL QPEFKTRIIPTDIISDLSEC LINQECEEILQICSTKGMMA GAEKLVECLLRSDKENWPKT LKLALEKERNKFSELWIVEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 100 _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 11369.512 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18623 . "mutant (T170E) second CARD of human RIG-I" . . . . . 100.00 100 99.00 99.00 7.60e-62 . . . . 18622 1 2 no PDB 2LWD . "Solution Structure Of Second Card Of Human Rig-I" . . . . . 100.00 100 100.00 100.00 7.13e-63 . . . . 18622 1 3 no PDB 2LWE . "Solution Structure Of Mutant (T170e) Second Card Of Human Rig-I" . . . . . 100.00 100 99.00 99.00 7.60e-62 . . . . 18622 1 4 no PDB 4NQK . "Structure Of An Ubiquitin Complex" . . . . . 97.00 203 98.97 98.97 2.23e-58 . . . . 18622 1 5 no PDB 4P4H . "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" . . . . . 97.00 205 98.97 98.97 1.32e-58 . . . . 18622 1 6 no DBJ BAG11006 . "ATP-dependent RNA helicase DDX58 [synthetic construct]" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 1 7 no DBJ BAG54273 . "unnamed protein product [Homo sapiens]" . . . . . 97.00 854 98.97 98.97 1.89e-54 . . . . 18622 1 8 no EMBL CAI46068 . "hypothetical protein [Homo sapiens]" . . . . . 97.00 703 98.97 98.97 4.72e-55 . . . . 18622 1 9 no GB AAD19826 . "RNA helicase [Homo sapiens]" . . . . . 97.00 925 98.97 98.97 2.18e-54 . . . . 18622 1 10 no GB AAI07732 . "DDX58 protein, partial [Homo sapiens]" . . . . . 97.00 251 98.97 98.97 8.02e-58 . . . . 18622 1 11 no GB AAI32787 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 1 12 no GB AAI36611 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 1 13 no GB EAW58547 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58, isoform CRA_a, partial [Homo sapiens]" . . . . . 97.00 703 98.97 98.97 4.53e-55 . . . . 18622 1 14 no REF NP_055129 . "probable ATP-dependent RNA helicase DDX58 [Homo sapiens]" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 1 15 no REF XP_001156662 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Pan troglodytes]" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 1 16 no REF XP_002819761 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pongo abelii]" . . . . . 97.00 925 98.97 98.97 2.49e-54 . . . . 18622 1 17 no REF XP_003830148 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pan paniscus]" . . . . . 97.00 925 98.97 98.97 2.32e-54 . . . . 18622 1 18 no REF XP_004047964 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Gorilla gorilla gorilla]" . . . . . 97.00 890 98.97 98.97 1.52e-54 . . . . 18622 1 19 no SP O95786 . "RecName: Full=Probable ATP-dependent RNA helicase DDX58; AltName: Full=DEAD box protein 58; AltName: Full=RIG-I-like receptor 1" . . . . . 97.00 925 98.97 98.97 2.25e-54 . . . . 18622 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 91 GLY . 18622 1 2 92 SER . 18622 1 3 93 HIS . 18622 1 4 94 MET . 18622 1 5 95 LYS . 18622 1 6 96 LYS . 18622 1 7 97 ILE . 18622 1 8 98 GLU . 18622 1 9 99 LYS . 18622 1 10 100 LEU . 18622 1 11 101 GLU . 18622 1 12 102 GLU . 18622 1 13 103 TYR . 18622 1 14 104 ARG . 18622 1 15 105 LEU . 18622 1 16 106 LEU . 18622 1 17 107 LEU . 18622 1 18 108 LYS . 18622 1 19 109 ARG . 18622 1 20 110 LEU . 18622 1 21 111 GLN . 18622 1 22 112 PRO . 18622 1 23 113 GLU . 18622 1 24 114 PHE . 18622 1 25 115 LYS . 18622 1 26 116 THR . 18622 1 27 117 ARG . 18622 1 28 118 ILE . 18622 1 29 119 ILE . 18622 1 30 120 PRO . 18622 1 31 121 THR . 18622 1 32 122 ASP . 18622 1 33 123 ILE . 18622 1 34 124 ILE . 18622 1 35 125 SER . 18622 1 36 126 ASP . 18622 1 37 127 LEU . 18622 1 38 128 SER . 18622 1 39 129 GLU . 18622 1 40 130 CYS . 18622 1 41 131 LEU . 18622 1 42 132 ILE . 18622 1 43 133 ASN . 18622 1 44 134 GLN . 18622 1 45 135 GLU . 18622 1 46 136 CYS . 18622 1 47 137 GLU . 18622 1 48 138 GLU . 18622 1 49 139 ILE . 18622 1 50 140 LEU . 18622 1 51 141 GLN . 18622 1 52 142 ILE . 18622 1 53 143 CYS . 18622 1 54 144 SER . 18622 1 55 145 THR . 18622 1 56 146 LYS . 18622 1 57 147 GLY . 18622 1 58 148 MET . 18622 1 59 149 MET . 18622 1 60 150 ALA . 18622 1 61 151 GLY . 18622 1 62 152 ALA . 18622 1 63 153 GLU . 18622 1 64 154 LYS . 18622 1 65 155 LEU . 18622 1 66 156 VAL . 18622 1 67 157 GLU . 18622 1 68 158 CYS . 18622 1 69 159 LEU . 18622 1 70 160 LEU . 18622 1 71 161 ARG . 18622 1 72 162 SER . 18622 1 73 163 ASP . 18622 1 74 164 LYS . 18622 1 75 165 GLU . 18622 1 76 166 ASN . 18622 1 77 167 TRP . 18622 1 78 168 PRO . 18622 1 79 169 LYS . 18622 1 80 170 THR . 18622 1 81 171 LEU . 18622 1 82 172 LYS . 18622 1 83 173 LEU . 18622 1 84 174 ALA . 18622 1 85 175 LEU . 18622 1 86 176 GLU . 18622 1 87 177 LYS . 18622 1 88 178 GLU . 18622 1 89 179 ARG . 18622 1 90 180 ASN . 18622 1 91 181 LYS . 18622 1 92 182 PHE . 18622 1 93 183 SER . 18622 1 94 184 GLU . 18622 1 95 185 LEU . 18622 1 96 186 TRP . 18622 1 97 187 ILE . 18622 1 98 188 VAL . 18622 1 99 189 GLU . 18622 1 100 190 LYS . 18622 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 18622 1 . SER 2 2 18622 1 . HIS 3 3 18622 1 . MET 4 4 18622 1 . LYS 5 5 18622 1 . LYS 6 6 18622 1 . ILE 7 7 18622 1 . GLU 8 8 18622 1 . LYS 9 9 18622 1 . LEU 10 10 18622 1 . GLU 11 11 18622 1 . GLU 12 12 18622 1 . TYR 13 13 18622 1 . ARG 14 14 18622 1 . LEU 15 15 18622 1 . LEU 16 16 18622 1 . LEU 17 17 18622 1 . LYS 18 18 18622 1 . ARG 19 19 18622 1 . LEU 20 20 18622 1 . GLN 21 21 18622 1 . PRO 22 22 18622 1 . GLU 23 23 18622 1 . PHE 24 24 18622 1 . LYS 25 25 18622 1 . THR 26 26 18622 1 . ARG 27 27 18622 1 . ILE 28 28 18622 1 . ILE 29 29 18622 1 . PRO 30 30 18622 1 . THR 31 31 18622 1 . ASP 32 32 18622 1 . ILE 33 33 18622 1 . ILE 34 34 18622 1 . SER 35 35 18622 1 . ASP 36 36 18622 1 . LEU 37 37 18622 1 . SER 38 38 18622 1 . GLU 39 39 18622 1 . CYS 40 40 18622 1 . LEU 41 41 18622 1 . ILE 42 42 18622 1 . ASN 43 43 18622 1 . GLN 44 44 18622 1 . GLU 45 45 18622 1 . CYS 46 46 18622 1 . GLU 47 47 18622 1 . GLU 48 48 18622 1 . ILE 49 49 18622 1 . LEU 50 50 18622 1 . GLN 51 51 18622 1 . ILE 52 52 18622 1 . CYS 53 53 18622 1 . SER 54 54 18622 1 . THR 55 55 18622 1 . LYS 56 56 18622 1 . GLY 57 57 18622 1 . MET 58 58 18622 1 . MET 59 59 18622 1 . ALA 60 60 18622 1 . GLY 61 61 18622 1 . ALA 62 62 18622 1 . GLU 63 63 18622 1 . LYS 64 64 18622 1 . LEU 65 65 18622 1 . VAL 66 66 18622 1 . GLU 67 67 18622 1 . CYS 68 68 18622 1 . LEU 69 69 18622 1 . LEU 70 70 18622 1 . ARG 71 71 18622 1 . SER 72 72 18622 1 . ASP 73 73 18622 1 . LYS 74 74 18622 1 . GLU 75 75 18622 1 . ASN 76 76 18622 1 . TRP 77 77 18622 1 . PRO 78 78 18622 1 . LYS 79 79 18622 1 . THR 80 80 18622 1 . LEU 81 81 18622 1 . LYS 82 82 18622 1 . LEU 83 83 18622 1 . ALA 84 84 18622 1 . LEU 85 85 18622 1 . GLU 86 86 18622 1 . LYS 87 87 18622 1 . GLU 88 88 18622 1 . ARG 89 89 18622 1 . ASN 90 90 18622 1 . LYS 91 91 18622 1 . PHE 92 92 18622 1 . SER 93 93 18622 1 . GLU 94 94 18622 1 . LEU 95 95 18622 1 . TRP 96 96 18622 1 . ILE 97 97 18622 1 . VAL 98 98 18622 1 . GLU 99 99 18622 1 . LYS 100 100 18622 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 18622 _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 $card2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18622 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 18622 _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 $card2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) codon plus RPL' . . . . . . . . . . . . . . . pET15b . . . . . . 18622 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18622 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 card2 '[U-100% 15N]' . . 1 $card2 . . 300 . . uM . . . . 18622 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18622 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18622 1 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18622 1 5 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18622 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18622 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N labeled sample' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 card2 '[U-100% 13C; U-100% 15N]' . . 1 $card2 . . 300 . . uM . . . . 18622 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18622 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18622 2 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18622 2 5 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18622 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18622 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C-15N labeled sample' _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 card2 '[U-100% 13C; U-100% 15N]' . . 1 $card2 . . 300 . . uM . . . . 18622 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18622 3 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18622 3 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18622 3 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 18622 _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' 250 . mM 18622 1 pH 7.5 . pH 18622 1 pressure 1 . atm 18622 1 temperature 273 . K 18622 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18622 _Software.ID 1 _Software.Name ARIA _Software.Version 2.3 _Software.Details ARIA/CNS loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18622 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18622 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18622 _Software.ID 2 _Software.Name NMRView _Software.Version 8.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18622 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18622 2 'chemical shift calculation' 18622 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18622 _Software.ID 3 _Software.Name CNS _Software.Version 1.2 _Software.Details CNS loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18622 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18622 3 'structure solution' 18622 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18622 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18622 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18622 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 18622 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18622 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 CryoProbe . . 18622 1 2 spectrometer_2 Bruker Avance . 900 CryoProbe . . 18622 1 3 spectrometer_3 Bruker Avance . 800 CryoProbe . . 18622 1 4 spectrometer_4 Bruker Avance . 700 CryoProbe . . 18622 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 18622 _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 . . . . . . . . . . . . . . . . 18622 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 4 '3D HCACO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 8 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18622 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 18622 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18622 1 11 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 18622 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 18622 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18622 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18622 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18622 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 18622 _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' . . . 18622 1 2 '3D HNCO' . . . 18622 1 3 '3D HNCACB' . . . 18622 1 4 '3D HCACO' . . . 18622 1 5 '3D CBCA(CO)NH' . . . 18622 1 6 '3D HBHA(CO)NH' . . . 18622 1 7 '3D C(CO)NH' . . . 18622 1 8 '3D H(CCO)NH' . . . 18622 1 11 '3D 1H-13C NOESY aromatic' . . . 18622 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 3 3 HIS HA H 1 4.6540 0.03 . 1 . . . . 93 HIS HA . 18622 1 2 . 1 1 3 3 HIS HB2 H 1 3.1200 0.03 . 2 . . . . 93 HIS HB2 . 18622 1 3 . 1 1 3 3 HIS HB3 H 1 3.2010 0.03 . 2 . . . . 93 HIS HB3 . 18622 1 4 . 1 1 3 3 HIS HD2 H 1 7.1936 0.03 . 1 . . . . 93 HIS HD2 . 18622 1 5 . 1 1 3 3 HIS HE1 H 1 8.2733 0.03 . 1 . . . . 93 HIS HE1 . 18622 1 6 . 1 1 3 3 HIS C C 13 175.1346 0.09 . 1 . . . . 93 HIS C . 18622 1 7 . 1 1 3 3 HIS CA C 13 56.4113 0.40 . 1 . 16078 . . 93 HIS CA . 18622 1 8 . 1 1 3 3 HIS CB C 13 30.1458 0.40 . 1 . 16093 . . 93 HIS CB . 18622 1 9 . 1 1 3 3 HIS CD2 C 13 119.8590 0.32 . 1 . . . . 93 HIS CD2 . 18622 1 10 . 1 1 3 3 HIS CE1 C 13 137.2654 0.32 . 1 . . . . 93 HIS CE1 . 18622 1 11 . 1 1 4 4 MET H H 1 8.3202 0.01 . 1 . 16076 . . 94 MET H . 18622 1 12 . 1 1 4 4 MET HA H 1 4.4030 0.03 . 1 . . . . 94 MET HA . 18622 1 13 . 1 1 4 4 MET HB2 H 1 2.0160 0.03 . 2 . . . . 94 MET HB2 . 18622 1 14 . 1 1 4 4 MET HG2 H 1 2.5160 0.03 . 2 . . . . 94 MET HG2 . 18622 1 15 . 1 1 4 4 MET HG3 H 1 2.4600 0.03 . 2 . . . . 94 MET HG3 . 18622 1 16 . 1 1 4 4 MET C C 13 176.2231 0.09 . 1 . . . . 94 MET C . 18622 1 17 . 1 1 4 4 MET CA C 13 55.7959 0.40 . 1 . 15142 . . 94 MET CA . 18622 1 18 . 1 1 4 4 MET CB C 13 32.9724 0.40 . 1 . 15151 . . 94 MET CB . 18622 1 19 . 1 1 4 4 MET CG C 13 31.9540 0.32 . 1 . . . . 94 MET CG . 18622 1 20 . 1 1 4 4 MET N N 15 121.5315 0.05 . 1 . 16077 . . 94 MET N . 18622 1 21 . 1 1 5 5 LYS H H 1 8.3685 0.01 . 1 . 16886 . A 95 LYS H . 18622 1 22 . 1 1 5 5 LYS HA H 1 4.2760 0.03 . 1 . . . A 95 LYS HA . 18622 1 23 . 1 1 5 5 LYS HB2 H 1 1.7960 0.03 . 2 . . . A 95 LYS HB2 . 18622 1 24 . 1 1 5 5 LYS HG2 H 1 1.4400 0.03 . 2 . . . A 95 LYS HG2 . 18622 1 25 . 1 1 5 5 LYS HD2 H 1 1.7920 0.03 . 2 . . . A 95 LYS HD2 . 18622 1 26 . 1 1 5 5 LYS HD3 H 1 1.0660 0.03 . 2 . . . A 95 LYS HD3 . 18622 1 27 . 1 1 5 5 LYS HE2 H 1 2.9950 0.03 . 2 . . . A 95 LYS HE2 . 18622 1 28 . 1 1 5 5 LYS C C 13 176.7776 0.09 . 1 . . . A 95 LYS C . 18622 1 29 . 1 1 5 5 LYS CA C 13 56.7052 0.40 . 1 . 17038 . A 95 LYS CA . 18622 1 30 . 1 1 5 5 LYS CB C 13 32.9824 0.40 . 1 . 17039 . A 95 LYS CB . 18622 1 31 . 1 1 5 5 LYS CG C 13 24.8140 0.32 . 1 . . . A 95 LYS CG . 18622 1 32 . 1 1 5 5 LYS CD C 13 28.9870 0.32 . 1 . . . A 95 LYS CD . 18622 1 33 . 1 1 5 5 LYS CE C 13 42.2680 0.32 . 1 . . . A 95 LYS CE . 18622 1 34 . 1 1 5 5 LYS N N 15 123.0082 0.05 . 1 . 16887 . A 95 LYS N . 18622 1 35 . 1 1 6 6 LYS H H 1 8.3575 0.01 . 1 . 16871 . A 96 LYS H . 18622 1 36 . 1 1 6 6 LYS HA H 1 4.2450 0.03 . 1 . . . A 96 LYS HA . 18622 1 37 . 1 1 6 6 LYS HB2 H 1 1.8120 0.03 . 2 . . . A 96 LYS HB2 . 18622 1 38 . 1 1 6 6 LYS HG2 H 1 1.4610 0.03 . 2 . . . A 96 LYS HG2 . 18622 1 39 . 1 1 6 6 LYS HG3 H 1 1.3820 0.03 . 2 . . . A 96 LYS HG3 . 18622 1 40 . 1 1 6 6 LYS HD2 H 1 1.8170 0.03 . 2 . . . A 96 LYS HD2 . 18622 1 41 . 1 1 6 6 LYS HD3 H 1 1.6970 0.03 . 2 . . . A 96 LYS HD3 . 18622 1 42 . 1 1 6 6 LYS HE2 H 1 2.9940 0.03 . 2 . . . A 96 LYS HE2 . 18622 1 43 . 1 1 6 6 LYS C C 13 177.0468 0.09 . 1 . . . A 96 LYS C . 18622 1 44 . 1 1 6 6 LYS CA C 13 57.2476 0.40 . 1 . 16885 . A 96 LYS CA . 18622 1 45 . 1 1 6 6 LYS CB C 13 32.8880 0.40 . 1 . 16882 . A 96 LYS CB . 18622 1 46 . 1 1 6 6 LYS CG C 13 24.9010 0.32 . 1 . . . A 96 LYS CG . 18622 1 47 . 1 1 6 6 LYS CD C 13 29.2810 0.32 . 1 . . . A 96 LYS CD . 18622 1 48 . 1 1 6 6 LYS CE C 13 42.3810 0.32 . 1 . . . A 96 LYS CE . 18622 1 49 . 1 1 6 6 LYS N N 15 123.1656 0.05 . 1 . 16872 . A 96 LYS N . 18622 1 50 . 1 1 7 7 ILE H H 1 8.2095 0.01 . 1 . 15101 . A 97 ILE H . 18622 1 51 . 1 1 7 7 ILE HA H 1 4.1290 0.03 . 1 . . . A 97 ILE HA . 18622 1 52 . 1 1 7 7 ILE HB H 1 1.9120 0.03 . 1 . . . A 97 ILE HB . 18622 1 53 . 1 1 7 7 ILE HG12 H 1 1.2490 0.03 . 2 . . . A 97 ILE HG12 . 18622 1 54 . 1 1 7 7 ILE HG13 H 1 1.5150 0.03 . 2 . . . A 97 ILE HG13 . 18622 1 55 . 1 1 7 7 ILE HG21 H 1 0.9260 0.03 . 1 . . . A 97 ILE HG21 . 18622 1 56 . 1 1 7 7 ILE HG22 H 1 0.9260 0.03 . 1 . . . A 97 ILE HG22 . 18622 1 57 . 1 1 7 7 ILE HG23 H 1 0.9260 0.03 . 1 . . . A 97 ILE HG23 . 18622 1 58 . 1 1 7 7 ILE HD11 H 1 0.8530 0.03 . 1 . . . A 97 ILE HD11 . 18622 1 59 . 1 1 7 7 ILE HD12 H 1 0.8530 0.03 . 1 . . . A 97 ILE HD12 . 18622 1 60 . 1 1 7 7 ILE HD13 H 1 0.8530 0.03 . 1 . . . A 97 ILE HD13 . 18622 1 61 . 1 1 7 7 ILE C C 13 176.7163 0.09 . 1 . . . A 97 ILE C . 18622 1 62 . 1 1 7 7 ILE CA C 13 61.7369 0.40 . 1 . 14950 . A 97 ILE CA . 18622 1 63 . 1 1 7 7 ILE CB C 13 38.2242 0.40 . 1 . 15118 . A 97 ILE CB . 18622 1 64 . 1 1 7 7 ILE CG1 C 13 27.2850 0.32 . 1 . . . A 97 ILE CG1 . 18622 1 65 . 1 1 7 7 ILE CG2 C 13 17.7850 0.32 . 1 . . . A 97 ILE CG2 . 18622 1 66 . 1 1 7 7 ILE CD1 C 13 12.9580 0.32 . 1 . . . A 97 ILE CD1 . 18622 1 67 . 1 1 7 7 ILE N N 15 122.1781 0.05 . 1 . 15102 . A 97 ILE N . 18622 1 68 . 1 1 8 8 GLU H H 1 8.4948 0.01 . 1 . 16622 . A 98 GLU H . 18622 1 69 . 1 1 8 8 GLU HA H 1 4.2470 0.03 . 1 . . . A 98 GLU HA . 18622 1 70 . 1 1 8 8 GLU HB2 H 1 2.0760 0.03 . 2 . . . A 98 GLU HB2 . 18622 1 71 . 1 1 8 8 GLU HG2 H 1 2.3220 0.03 . 2 . . . A 98 GLU HG2 . 18622 1 72 . 1 1 8 8 GLU C C 13 178.0344 0.09 . 1 . . . A 98 GLU C . 18622 1 73 . 1 1 8 8 GLU CA C 13 57.8335 0.40 . 1 . 14953 . A 98 GLU CA . 18622 1 74 . 1 1 8 8 GLU CB C 13 30.0026 0.40 . 1 . 15805 . A 98 GLU CB . 18622 1 75 . 1 1 8 8 GLU CG C 13 36.4830 0.32 . 1 . . . A 98 GLU CG . 18622 1 76 . 1 1 8 8 GLU N N 15 125.2071 0.05 . 1 . 16623 . A 98 GLU N . 18622 1 77 . 1 1 9 9 LYS H H 1 8.4360 0.01 . 1 . 15803 . A 99 LYS H . 18622 1 78 . 1 1 9 9 LYS HA H 1 4.1780 0.03 . 1 . . . A 99 LYS HA . 18622 1 79 . 1 1 9 9 LYS HB2 H 1 1.9010 0.03 . 2 . . . A 99 LYS HB2 . 18622 1 80 . 1 1 9 9 LYS HG2 H 1 1.5140 0.03 . 2 . . . A 99 LYS HG2 . 18622 1 81 . 1 1 9 9 LYS HG3 H 1 1.4200 0.03 . 2 . . . A 99 LYS HG3 . 18622 1 82 . 1 1 9 9 LYS HD2 H 1 1.6940 0.03 . 2 . . . A 99 LYS HD2 . 18622 1 83 . 1 1 9 9 LYS HE2 H 1 2.9550 0.03 . 2 . . . A 99 LYS HE2 . 18622 1 84 . 1 1 9 9 LYS C C 13 177.9431 0.09 . 1 . . . A 99 LYS C . 18622 1 85 . 1 1 9 9 LYS CA C 13 58.0483 0.40 . 1 . 15133 . A 99 LYS CA . 18622 1 86 . 1 1 9 9 LYS CB C 13 32.3714 0.40 . 1 . 15154 . A 99 LYS CB . 18622 1 87 . 1 1 9 9 LYS CG C 13 24.8640 0.32 . 1 . . . A 99 LYS CG . 18622 1 88 . 1 1 9 9 LYS CD C 13 28.7330 0.32 . 1 . . . A 99 LYS CD . 18622 1 89 . 1 1 9 9 LYS CE C 13 42.1000 0.32 . 1 . . . A 99 LYS CE . 18622 1 90 . 1 1 9 9 LYS N N 15 121.5088 0.05 . 1 . 15804 . A 99 LYS N . 18622 1 91 . 1 1 10 10 LEU H H 1 8.2427 0.01 . 1 . 16607 . A 100 LEU H . 18622 1 92 . 1 1 10 10 LEU HA H 1 4.3430 0.03 . 1 . . . A 100 LEU HA . 18622 1 93 . 1 1 10 10 LEU HB2 H 1 1.8760 0.03 . 2 . . . A 100 LEU HB2 . 18622 1 94 . 1 1 10 10 LEU HB3 H 1 1.7770 0.03 . 2 . . . A 100 LEU HB3 . 18622 1 95 . 1 1 10 10 LEU HG H 1 1.7660 0.03 . 1 . . . A 100 LEU HG . 18622 1 96 . 1 1 10 10 LEU HD11 H 1 0.9850 0.03 . 2 . . . A 100 LEU HD11 . 18622 1 97 . 1 1 10 10 LEU HD12 H 1 0.9850 0.03 . 2 . . . A 100 LEU HD12 . 18622 1 98 . 1 1 10 10 LEU HD13 H 1 0.9850 0.03 . 2 . . . A 100 LEU HD13 . 18622 1 99 . 1 1 10 10 LEU HD21 H 1 0.8840 0.03 . 2 . . . A 100 LEU HD21 . 18622 1 100 . 1 1 10 10 LEU HD22 H 1 0.8840 0.03 . 2 . . . A 100 LEU HD22 . 18622 1 101 . 1 1 10 10 LEU HD23 H 1 0.8840 0.03 . 2 . . . A 100 LEU HD23 . 18622 1 102 . 1 1 10 10 LEU C C 13 179.1683 0.09 . 1 . . . A 100 LEU C . 18622 1 103 . 1 1 10 10 LEU CA C 13 57.6754 0.40 . 1 . 15235 . A 100 LEU CA . 18622 1 104 . 1 1 10 10 LEU CB C 13 42.7917 0.40 . 1 . 16123 . A 100 LEU CB . 18622 1 105 . 1 1 10 10 LEU CD1 C 13 24.3090 0.32 . 2 . . . A 100 LEU CD1 . 18622 1 106 . 1 1 10 10 LEU CD2 C 13 24.3090 0.32 . 2 . . . A 100 LEU CD2 . 18622 1 107 . 1 1 10 10 LEU N N 15 118.3984 0.05 . 1 . 16608 . A 100 LEU N . 18622 1 108 . 1 1 11 11 GLU H H 1 8.1024 0.01 . 1 . 15209 . A 101 GLU H . 18622 1 109 . 1 1 11 11 GLU HA H 1 4.1530 0.03 . 1 . . . A 101 GLU HA . 18622 1 110 . 1 1 11 11 GLU HB2 H 1 2.1780 0.03 . 2 . . . A 101 GLU HB2 . 18622 1 111 . 1 1 11 11 GLU HB3 H 1 2.0940 0.03 . 2 . . . A 101 GLU HB3 . 18622 1 112 . 1 1 11 11 GLU HG2 H 1 2.3790 0.03 . 2 . . . A 101 GLU HG2 . 18622 1 113 . 1 1 11 11 GLU C C 13 178.6907 0.09 . 1 . . . A 101 GLU C . 18622 1 114 . 1 1 11 11 GLU CA C 13 59.8196 0.40 . 1 . 15205 . A 101 GLU CA . 18622 1 115 . 1 1 11 11 GLU CB C 13 29.2084 0.40 . 1 . 15223 . A 101 GLU CB . 18622 1 116 . 1 1 11 11 GLU CG C 13 35.5640 0.32 . 1 . . . A 101 GLU CG . 18622 1 117 . 1 1 11 11 GLU N N 15 119.0411 0.05 . 1 . 15210 . A 101 GLU N . 18622 1 118 . 1 1 12 12 GLU H H 1 8.0117 0.01 . 1 . 16304 . A 102 GLU H . 18622 1 119 . 1 1 12 12 GLU HA H 1 3.9500 0.03 . 1 . . . A 102 GLU HA . 18622 1 120 . 1 1 12 12 GLU HB2 H 1 1.8800 0.03 . 2 . . . A 102 GLU HB2 . 18622 1 121 . 1 1 12 12 GLU HB3 H 1 1.6990 0.03 . 2 . . . A 102 GLU HB3 . 18622 1 122 . 1 1 12 12 GLU HG2 H 1 2.0070 0.03 . 2 . . . A 102 GLU HG2 . 18622 1 123 . 1 1 12 12 GLU HG3 H 1 1.8780 0.03 . 2 . . . A 102 GLU HG3 . 18622 1 124 . 1 1 12 12 GLU C C 13 179.4668 0.09 . 1 . . . A 102 GLU C . 18622 1 125 . 1 1 12 12 GLU CA C 13 59.5949 0.40 . 1 . 15520 . A 102 GLU CA . 18622 1 126 . 1 1 12 12 GLU CB C 13 28.7983 0.40 . 1 . 15532 . A 102 GLU CB . 18622 1 127 . 1 1 12 12 GLU CG C 13 35.9640 0.32 . 1 . . . A 102 GLU CG . 18622 1 128 . 1 1 12 12 GLU N N 15 117.8588 0.05 . 1 . 16305 . A 102 GLU N . 18622 1 129 . 1 1 13 13 TYR H H 1 7.4885 0.01 . 1 . 15653 . A 103 TYR H . 18622 1 130 . 1 1 13 13 TYR HA H 1 4.3010 0.03 . 1 . . . A 103 TYR HA . 18622 1 131 . 1 1 13 13 TYR HB2 H 1 2.9410 0.03 . 2 . . . A 103 TYR HB2 . 18622 1 132 . 1 1 13 13 TYR HB3 H 1 2.6130 0.03 . 2 . . . A 103 TYR HB3 . 18622 1 133 . 1 1 13 13 TYR HD1 H 1 6.7042 0.03 . 3 . . . A 103 TYR HD1 . 18622 1 134 . 1 1 13 13 TYR HE1 H 1 6.5605 0.03 . 3 . . . A 103 TYR HE1 . 18622 1 135 . 1 1 13 13 TYR C C 13 178.2236 0.09 . 1 . . . A 103 TYR C . 18622 1 136 . 1 1 13 13 TYR CA C 13 62.3145 0.40 . 1 . 14986 . A 103 TYR CA . 18622 1 137 . 1 1 13 13 TYR CB C 13 38.2192 0.40 . 1 . 15652 . A 103 TYR CB . 18622 1 138 . 1 1 13 13 TYR CD1 C 13 132.6071 0.32 . 3 . . . A 103 TYR CD1 . 18622 1 139 . 1 1 13 13 TYR CE1 C 13 118.2719 0.32 . 3 . . . A 103 TYR CE1 . 18622 1 140 . 1 1 13 13 TYR N N 15 118.7822 0.05 . 1 . 15654 . A 103 TYR N . 18622 1 141 . 1 1 14 14 ARG H H 1 8.6655 0.01 . 1 . 14987 . A 104 ARG H . 18622 1 142 . 1 1 14 14 ARG HA H 1 4.2650 0.03 . 1 . . . A 104 ARG HA . 18622 1 143 . 1 1 14 14 ARG HB2 H 1 2.2160 0.03 . 2 . . . A 104 ARG HB2 . 18622 1 144 . 1 1 14 14 ARG HB3 H 1 2.0180 0.03 . 2 . . . A 104 ARG HB3 . 18622 1 145 . 1 1 14 14 ARG HD2 H 1 3.4970 0.03 . 2 . . . A 104 ARG HD2 . 18622 1 146 . 1 1 14 14 ARG C C 13 178.3993 0.09 . 1 . . . A 104 ARG C . 18622 1 147 . 1 1 14 14 ARG CA C 13 60.6141 0.40 . 1 . 16138 . A 104 ARG CA . 18622 1 148 . 1 1 14 14 ARG CB C 13 30.5148 0.40 . 1 . 15274 . A 104 ARG CB . 18622 1 149 . 1 1 14 14 ARG CG C 13 29.0890 0.32 . 1 . . . A 104 ARG CG . 18622 1 150 . 1 1 14 14 ARG N N 15 121.2590 0.05 . 1 . 14988 . A 104 ARG N . 18622 1 151 . 1 1 15 15 LEU H H 1 8.0838 0.01 . 1 . 15227 . A 105 LEU H . 18622 1 152 . 1 1 15 15 LEU HA H 1 4.0490 0.03 . 1 . . . A 105 LEU HA . 18622 1 153 . 1 1 15 15 LEU HB2 H 1 1.8700 0.03 . 2 . . . A 105 LEU HB2 . 18622 1 154 . 1 1 15 15 LEU HB3 H 1 1.5570 0.03 . 2 . . . A 105 LEU HB3 . 18622 1 155 . 1 1 15 15 LEU HG H 1 1.5500 0.03 . 1 . . . A 105 LEU HG . 18622 1 156 . 1 1 15 15 LEU HD11 H 1 0.9440 0.03 . 2 . . . A 105 LEU HD11 . 18622 1 157 . 1 1 15 15 LEU HD12 H 1 0.9440 0.03 . 2 . . . A 105 LEU HD12 . 18622 1 158 . 1 1 15 15 LEU HD13 H 1 0.9440 0.03 . 2 . . . A 105 LEU HD13 . 18622 1 159 . 1 1 15 15 LEU HD21 H 1 0.9250 0.03 . 2 . 50418 . A 105 LEU HD21 . 18622 1 160 . 1 1 15 15 LEU HD22 H 1 0.9250 0.03 . 2 . 50418 . A 105 LEU HD22 . 18622 1 161 . 1 1 15 15 LEU HD23 H 1 0.9250 0.03 . 2 . 50418 . A 105 LEU HD23 . 18622 1 162 . 1 1 15 15 LEU C C 13 179.9562 0.09 . 1 . . . A 105 LEU C . 18622 1 163 . 1 1 15 15 LEU CA C 13 58.0698 0.40 . 1 . 17040 . A 105 LEU CA . 18622 1 164 . 1 1 15 15 LEU CB C 13 41.7000 0.40 . 1 . 17041 . A 105 LEU CB . 18622 1 165 . 1 1 15 15 LEU CG C 13 26.7880 0.32 . 1 . . . A 105 LEU CG . 18622 1 166 . 1 1 15 15 LEU CD1 C 13 25.0210 0.32 . 2 . . . A 105 LEU CD1 . 18622 1 167 . 1 1 15 15 LEU CD2 C 13 23.3900 0.32 . 2 . . . A 105 LEU CD2 . 18622 1 168 . 1 1 15 15 LEU N N 15 118.2279 0.05 . 1 . 15228 . A 105 LEU N . 18622 1 169 . 1 1 16 16 LEU H H 1 7.9020 0.01 . 1 . 16268 . A 106 LEU H . 18622 1 170 . 1 1 16 16 LEU HA H 1 4.2430 0.03 . 1 . . . A 106 LEU HA . 18622 1 171 . 1 1 16 16 LEU HB2 H 1 2.1140 0.03 . 2 . . . A 106 LEU HB2 . 18622 1 172 . 1 1 16 16 LEU HB3 H 1 1.6000 0.03 . 2 . . . A 106 LEU HB3 . 18622 1 173 . 1 1 16 16 LEU HG H 1 1.6360 0.03 . 1 . . . A 106 LEU HG . 18622 1 174 . 1 1 16 16 LEU HD11 H 1 0.5580 0.03 . 2 . . . A 106 LEU HD11 . 18622 1 175 . 1 1 16 16 LEU HD12 H 1 0.5580 0.03 . 2 . . . A 106 LEU HD12 . 18622 1 176 . 1 1 16 16 LEU HD13 H 1 0.5580 0.03 . 2 . . . A 106 LEU HD13 . 18622 1 177 . 1 1 16 16 LEU HD21 H 1 1.0330 0.03 . 2 . 52869 . A 106 LEU HD21 . 18622 1 178 . 1 1 16 16 LEU HD22 H 1 1.0330 0.03 . 2 . 52869 . A 106 LEU HD22 . 18622 1 179 . 1 1 16 16 LEU HD23 H 1 1.0330 0.03 . 2 . 52869 . A 106 LEU HD23 . 18622 1 180 . 1 1 16 16 LEU C C 13 178.1292 0.09 . 1 . . . A 106 LEU C . 18622 1 181 . 1 1 16 16 LEU CA C 13 58.0467 0.40 . 1 . 15466 . A 106 LEU CA . 18622 1 182 . 1 1 16 16 LEU CB C 13 42.0419 0.40 . 1 . 15469 . A 106 LEU CB . 18622 1 183 . 1 1 16 16 LEU CG C 13 27.0390 0.32 . 1 . . . A 106 LEU CG . 18622 1 184 . 1 1 16 16 LEU CD1 C 13 25.4170 0.32 . 2 . . . A 106 LEU CD1 . 18622 1 185 . 1 1 16 16 LEU CD2 C 13 23.0910 0.32 . 2 . . . A 106 LEU CD2 . 18622 1 186 . 1 1 16 16 LEU N N 15 121.3522 0.05 . 1 . 16269 . A 106 LEU N . 18622 1 187 . 1 1 17 17 LEU H H 1 8.7963 0.01 . 1 . 16604 . A 107 LEU H . 18622 1 188 . 1 1 17 17 LEU HA H 1 4.3560 0.03 . 1 . . . A 107 LEU HA . 18622 1 189 . 1 1 17 17 LEU HB2 H 1 2.2130 0.03 . 2 . . . A 107 LEU HB2 . 18622 1 190 . 1 1 17 17 LEU HB3 H 1 2.0950 0.03 . 2 . . . A 107 LEU HB3 . 18622 1 191 . 1 1 17 17 LEU HG H 1 1.3290 0.03 . 1 . . . A 107 LEU HG . 18622 1 192 . 1 1 17 17 LEU HD11 H 1 0.4970 0.03 . 2 . . . A 107 LEU HD11 . 18622 1 193 . 1 1 17 17 LEU HD12 H 1 0.4970 0.03 . 2 . . . A 107 LEU HD12 . 18622 1 194 . 1 1 17 17 LEU HD13 H 1 0.4970 0.03 . 2 . . . A 107 LEU HD13 . 18622 1 195 . 1 1 17 17 LEU HD21 H 1 0.3300 0.03 . 2 . . . A 107 LEU HD21 . 18622 1 196 . 1 1 17 17 LEU HD22 H 1 0.3300 0.03 . 2 . . . A 107 LEU HD22 . 18622 1 197 . 1 1 17 17 LEU HD23 H 1 0.3300 0.03 . 2 . . . A 107 LEU HD23 . 18622 1 198 . 1 1 17 17 LEU C C 13 178.0138 0.09 . 1 . . . A 107 LEU C . 18622 1 199 . 1 1 17 17 LEU CA C 13 58.3105 0.40 . 1 . 15019 . A 107 LEU CA . 18622 1 200 . 1 1 17 17 LEU CB C 13 41.1009 0.40 . 1 . 16201 . A 107 LEU CB . 18622 1 201 . 1 1 17 17 LEU CG C 13 27.7220 0.32 . 1 . . . A 107 LEU CG . 18622 1 202 . 1 1 17 17 LEU CD1 C 13 27.5940 0.32 . 2 . . . A 107 LEU CD1 . 18622 1 203 . 1 1 17 17 LEU CD2 C 13 22.1450 0.32 . 2 . . . A 107 LEU CD2 . 18622 1 204 . 1 1 17 17 LEU N N 15 118.8978 0.05 . 1 . 16605 . A 107 LEU N . 18622 1 205 . 1 1 18 18 LYS H H 1 8.1834 0.01 . 1 . 16616 . A 108 LYS H . 18622 1 206 . 1 1 18 18 LYS HA H 1 3.9520 0.03 . 1 . . . A 108 LYS HA . 18622 1 207 . 1 1 18 18 LYS HB2 H 1 1.9790 0.03 . 2 . . . A 108 LYS HB2 . 18622 1 208 . 1 1 18 18 LYS HG2 H 1 1.4540 0.03 . 2 . . . A 108 LYS HG2 . 18622 1 209 . 1 1 18 18 LYS HG3 H 1 1.6410 0.03 . 2 . . . A 108 LYS HG3 . 18622 1 210 . 1 1 18 18 LYS HD2 H 1 1.6710 0.03 . 2 . . . A 108 LYS HD2 . 18622 1 211 . 1 1 18 18 LYS HE2 H 1 2.9400 0.03 . 2 . . . A 108 LYS HE2 . 18622 1 212 . 1 1 18 18 LYS C C 13 180.3266 0.09 . 1 . . . A 108 LYS C . 18622 1 213 . 1 1 18 18 LYS CA C 13 59.9803 0.40 . 1 . 15343 . A 108 LYS CA . 18622 1 214 . 1 1 18 18 LYS CB C 13 32.2370 0.40 . 1 . 15349 . A 108 LYS CB . 18622 1 215 . 1 1 18 18 LYS CG C 13 25.8140 0.32 . 1 . . . A 108 LYS CG . 18622 1 216 . 1 1 18 18 LYS CD C 13 29.2070 0.32 . 1 . . . A 108 LYS CD . 18622 1 217 . 1 1 18 18 LYS CE C 13 42.0770 0.32 . 1 . . . A 108 LYS CE . 18622 1 218 . 1 1 18 18 LYS N N 15 115.7069 0.05 . 1 . 16617 . A 108 LYS N . 18622 1 219 . 1 1 19 19 ARG H H 1 8.1260 0.01 . 1 . 16514 . A 109 ARG H . 18622 1 220 . 1 1 19 19 ARG HA H 1 4.2160 0.03 . 1 . . . A 109 ARG HA . 18622 1 221 . 1 1 19 19 ARG HB2 H 1 2.1680 0.03 . 2 . . . A 109 ARG HB2 . 18622 1 222 . 1 1 19 19 ARG HB3 H 1 2.3100 0.03 . 2 . . . A 109 ARG HB3 . 18622 1 223 . 1 1 19 19 ARG HG2 H 1 1.8600 0.03 . 2 . . . A 109 ARG HG2 . 18622 1 224 . 1 1 19 19 ARG HD2 H 1 3.2780 0.03 . 2 . . . A 109 ARG HD2 . 18622 1 225 . 1 1 19 19 ARG HD3 H 1 3.4300 0.03 . 2 . . . A 109 ARG HD3 . 18622 1 226 . 1 1 19 19 ARG C C 13 178.3626 0.09 . 1 . . . A 109 ARG C . 18622 1 227 . 1 1 19 19 ARG CA C 13 59.5306 0.40 . 1 . 15187 . A 109 ARG CA . 18622 1 228 . 1 1 19 19 ARG CB C 13 29.9523 0.40 . 1 . 15313 . A 109 ARG CB . 18622 1 229 . 1 1 19 19 ARG CG C 13 27.6320 0.32 . 1 . . . A 109 ARG CG . 18622 1 230 . 1 1 19 19 ARG CD C 13 43.9910 0.32 . 1 . . . A 109 ARG CD . 18622 1 231 . 1 1 19 19 ARG N N 15 119.7166 0.05 . 1 . 16515 . A 109 ARG N . 18622 1 232 . 1 1 20 20 LEU H H 1 8.1584 0.01 . 1 . 15311 . A 110 LEU H . 18622 1 233 . 1 1 20 20 LEU HA H 1 4.8680 0.03 . 1 . . . A 110 LEU HA . 18622 1 234 . 1 1 20 20 LEU HB2 H 1 2.2550 0.03 . 2 . . . A 110 LEU HB2 . 18622 1 235 . 1 1 20 20 LEU HG H 1 2.1340 0.03 . 1 . . . A 110 LEU HG . 18622 1 236 . 1 1 20 20 LEU HD11 H 1 1.1180 0.03 . 2 . . . A 110 LEU HD11 . 18622 1 237 . 1 1 20 20 LEU HD12 H 1 1.1180 0.03 . 2 . . . A 110 LEU HD12 . 18622 1 238 . 1 1 20 20 LEU HD13 H 1 1.1180 0.03 . 2 . . . A 110 LEU HD13 . 18622 1 239 . 1 1 20 20 LEU HD21 H 1 1.0380 0.03 . 2 . . . A 110 LEU HD21 . 18622 1 240 . 1 1 20 20 LEU HD22 H 1 1.0380 0.03 . 2 . . . A 110 LEU HD22 . 18622 1 241 . 1 1 20 20 LEU HD23 H 1 1.0380 0.03 . 2 . . . A 110 LEU HD23 . 18622 1 242 . 1 1 20 20 LEU C C 13 177.0164 0.09 . 1 . . . A 110 LEU C . 18622 1 243 . 1 1 20 20 LEU CA C 13 54.2397 0.40 . 1 . 15589 . A 110 LEU CA . 18622 1 244 . 1 1 20 20 LEU CB C 13 43.2585 0.40 . 1 . 15298 . A 110 LEU CB . 18622 1 245 . 1 1 20 20 LEU CG C 13 26.9670 0.32 . 1 . . . A 110 LEU CG . 18622 1 246 . 1 1 20 20 LEU CD1 C 13 26.9670 0.32 . 2 . . . A 110 LEU CD1 . 18622 1 247 . 1 1 20 20 LEU CD2 C 13 22.5630 0.32 . 2 . . . A 110 LEU CD2 . 18622 1 248 . 1 1 20 20 LEU N N 15 117.3097 0.05 . 1 . 15312 . A 110 LEU N . 18622 1 249 . 1 1 21 21 GLN H H 1 7.6428 0.01 . 1 . 15587 . A 111 GLN H . 18622 1 250 . 1 1 21 21 GLN HA H 1 4.8400 0.03 . 1 . . . A 111 GLN HA . 18622 1 251 . 1 1 21 21 GLN HB2 H 1 1.7800 0.03 . 2 . . . A 111 GLN HB2 . 18622 1 252 . 1 1 21 21 GLN HG2 H 1 2.3900 0.03 . 2 . . . A 111 GLN HG2 . 18622 1 253 . 1 1 21 21 GLN CA C 13 62.3694 0.40 . 1 . 15586 . A 111 GLN CA . 18622 1 254 . 1 1 21 21 GLN CB C 13 26.8346 0.40 . 1 . 15592 . A 111 GLN CB . 18622 1 255 . 1 1 21 21 GLN N N 15 123.2689 0.05 . 1 . 15588 . A 111 GLN N . 18622 1 256 . 1 1 22 22 PRO HA H 1 4.2360 0.03 . 1 . . . A 112 PRO HA . 18622 1 257 . 1 1 22 22 PRO HB2 H 1 2.4090 0.03 . 2 . . . A 112 PRO HB2 . 18622 1 258 . 1 1 22 22 PRO HB3 H 1 1.9160 0.03 . 2 . . . A 112 PRO HB3 . 18622 1 259 . 1 1 22 22 PRO HG2 H 1 2.0500 0.03 . 2 . . . A 112 PRO HG2 . 18622 1 260 . 1 1 22 22 PRO HG3 H 1 2.2000 0.03 . 2 . . . A 112 PRO HG3 . 18622 1 261 . 1 1 22 22 PRO HD2 H 1 3.8500 0.03 . 2 . . . A 112 PRO HD2 . 18622 1 262 . 1 1 22 22 PRO C C 13 179.5040 0.09 . 1 . . . A 112 PRO C . 18622 1 263 . 1 1 22 22 PRO CA C 13 66.7293 0.40 . 1 . 16315 . A 112 PRO CA . 18622 1 264 . 1 1 22 22 PRO CB C 13 31.0764 0.40 . 1 . 16321 . A 112 PRO CB . 18622 1 265 . 1 1 22 22 PRO CG C 13 24.7140 0.32 . 1 . . . A 112 PRO CG . 18622 1 266 . 1 1 22 22 PRO CD C 13 50.0060 0.32 . 1 . . . A 112 PRO CD . 18622 1 267 . 1 1 23 23 GLU H H 1 7.9347 0.01 . 1 . 16541 . A 113 GLU H . 18622 1 268 . 1 1 23 23 GLU HA H 1 4.1420 0.03 . 1 . . . A 113 GLU HA . 18622 1 269 . 1 1 23 23 GLU HB2 H 1 2.4620 0.03 . 2 . . . A 113 GLU HB2 . 18622 1 270 . 1 1 23 23 GLU HB3 H 1 2.0650 0.03 . 2 . . . A 113 GLU HB3 . 18622 1 271 . 1 1 23 23 GLU HG2 H 1 2.4820 0.03 . 2 . . . A 113 GLU HG2 . 18622 1 272 . 1 1 23 23 GLU HG3 H 1 2.2910 0.03 . 2 . . . A 113 GLU HG3 . 18622 1 273 . 1 1 23 23 GLU C C 13 178.0661 0.09 . 1 . . . A 113 GLU C . 18622 1 274 . 1 1 23 23 GLU CA C 13 59.0987 0.40 . 1 . 15937 . A 113 GLU CA . 18622 1 275 . 1 1 23 23 GLU CB C 13 29.5698 0.40 . 1 . 15553 . A 113 GLU CB . 18622 1 276 . 1 1 23 23 GLU CG C 13 36.4840 0.32 . 1 . . . A 113 GLU CG . 18622 1 277 . 1 1 23 23 GLU N N 15 117.2318 0.05 . 1 . 16542 . A 113 GLU N . 18622 1 278 . 1 1 24 24 PHE H H 1 8.8865 0.01 . 1 . 16589 . A 114 PHE H . 18622 1 279 . 1 1 24 24 PHE HA H 1 3.1230 0.03 . 1 . . . A 114 PHE HA . 18622 1 280 . 1 1 24 24 PHE HB2 H 1 3.0410 0.03 . 2 . . . A 114 PHE HB2 . 18622 1 281 . 1 1 24 24 PHE HB3 H 1 2.4540 0.03 . 2 . . . A 114 PHE HB3 . 18622 1 282 . 1 1 24 24 PHE HD1 H 1 6.2240 0.03 . 3 . . . A 114 PHE HD1 . 18622 1 283 . 1 1 24 24 PHE HE1 H 1 6.7151 0.03 . 3 . . . A 114 PHE HE1 . 18622 1 284 . 1 1 24 24 PHE HZ H 1 6.5557 0.03 . 1 . . . A 114 PHE HZ . 18622 1 285 . 1 1 24 24 PHE C C 13 177.1697 0.09 . 1 . . . A 114 PHE C . 18622 1 286 . 1 1 24 24 PHE CA C 13 60.9000 0.40 . 1 . 15055 . A 114 PHE CA . 18622 1 287 . 1 1 24 24 PHE CB C 13 39.9073 0.40 . 1 . 14908 . A 114 PHE CB . 18622 1 288 . 1 1 24 24 PHE CD1 C 13 132.6460 0.32 . 3 . . . A 114 PHE CD1 . 18622 1 289 . 1 1 24 24 PHE CE1 C 13 129.8437 0.32 . 3 . . . A 114 PHE CE1 . 18622 1 290 . 1 1 24 24 PHE CZ C 13 127.6371 0.32 . 1 . . . A 114 PHE CZ . 18622 1 291 . 1 1 24 24 PHE N N 15 122.3254 0.05 . 1 . 16590 . A 114 PHE N . 18622 1 292 . 1 1 25 25 LYS H H 1 8.4553 0.01 . 1 . 16673 . A 115 LYS H . 18622 1 293 . 1 1 25 25 LYS HA H 1 3.9300 0.03 . 1 . . . A 115 LYS HA . 18622 1 294 . 1 1 25 25 LYS HB2 H 1 1.9970 0.03 . 2 . . . A 115 LYS HB2 . 18622 1 295 . 1 1 25 25 LYS HB3 H 1 1.7820 0.03 . 2 . . . A 115 LYS HB3 . 18622 1 296 . 1 1 25 25 LYS HG2 H 1 1.4130 0.03 . 2 . 53415 . A 115 LYS HG2 . 18622 1 297 . 1 1 25 25 LYS HD2 H 1 1.6040 0.03 . 2 . . . A 115 LYS HD2 . 18622 1 298 . 1 1 25 25 LYS HD3 H 1 1.6700 0.03 . 2 . . . A 115 LYS HD3 . 18622 1 299 . 1 1 25 25 LYS HE2 H 1 2.9400 0.03 . 2 . . . A 115 LYS HE2 . 18622 1 300 . 1 1 25 25 LYS C C 13 176.0698 0.09 . 1 . . . A 115 LYS C . 18622 1 301 . 1 1 25 25 LYS CA C 13 59.3360 0.40 . 1 . 17031 . A 115 LYS CA . 18622 1 302 . 1 1 25 25 LYS CB C 13 32.2883 0.40 . 1 . 15886 . A 115 LYS CB . 18622 1 303 . 1 1 25 25 LYS CG C 13 25.1350 0.32 . 1 . . . A 115 LYS CG . 18622 1 304 . 1 1 25 25 LYS CD C 13 30.0460 0.32 . 1 . . . A 115 LYS CD . 18622 1 305 . 1 1 25 25 LYS CE C 13 42.3500 0.32 . 1 . . . A 115 LYS CE . 18622 1 306 . 1 1 25 25 LYS N N 15 113.4714 0.05 . 1 . 16674 . A 115 LYS N . 18622 1 307 . 1 1 26 26 THR H H 1 7.1514 0.01 . 1 . 15779 . A 116 THR H . 18622 1 308 . 1 1 26 26 THR HA H 1 4.2920 0.03 . 1 . . . A 116 THR HA . 18622 1 309 . 1 1 26 26 THR HB H 1 4.2920 0.03 . 1 . . . A 116 THR HB . 18622 1 310 . 1 1 26 26 THR HG21 H 1 1.2820 0.03 . 1 . . . A 116 THR HG21 . 18622 1 311 . 1 1 26 26 THR HG22 H 1 1.2820 0.03 . 1 . . . A 116 THR HG22 . 18622 1 312 . 1 1 26 26 THR HG23 H 1 1.2820 0.03 . 1 . . . A 116 THR HG23 . 18622 1 313 . 1 1 26 26 THR C C 13 176.0168 0.09 . 1 . . . A 116 THR C . 18622 1 314 . 1 1 26 26 THR CA C 13 63.5265 0.40 . 1 . 15904 . A 116 THR CA . 18622 1 315 . 1 1 26 26 THR CB C 13 70.0027 0.40 . 1 . 15901 . A 116 THR CB . 18622 1 316 . 1 1 26 26 THR CG2 C 13 21.8750 0.32 . 1 . . . A 116 THR CG2 . 18622 1 317 . 1 1 26 26 THR N N 15 106.4866 0.05 . 1 . 15780 . A 116 THR N . 18622 1 318 . 1 1 27 27 ARG H H 1 7.4944 0.01 . 1 . 15902 . A 117 ARG H . 18622 1 319 . 1 1 27 27 ARG HA H 1 4.4170 0.03 . 1 . . . A 117 ARG HA . 18622 1 320 . 1 1 27 27 ARG HB2 H 1 2.0870 0.03 . 2 . . . A 117 ARG HB2 . 18622 1 321 . 1 1 27 27 ARG HB3 H 1 1.5840 0.03 . 2 . . . A 117 ARG HB3 . 18622 1 322 . 1 1 27 27 ARG HG2 H 1 1.7680 0.03 . 2 . . . A 117 ARG HG2 . 18622 1 323 . 1 1 27 27 ARG HG3 H 1 1.5920 0.03 . 2 . . . A 117 ARG HG3 . 18622 1 324 . 1 1 27 27 ARG HD2 H 1 3.0650 0.03 . 2 . . . A 117 ARG HD2 . 18622 1 325 . 1 1 27 27 ARG HD3 H 1 3.0300 0.03 . 2 . . . A 117 ARG HD3 . 18622 1 326 . 1 1 27 27 ARG C C 13 175.9960 0.09 . 1 . . . A 117 ARG C . 18622 1 327 . 1 1 27 27 ARG CA C 13 56.7963 0.40 . 1 . 15820 . A 117 ARG CA . 18622 1 328 . 1 1 27 27 ARG CB C 13 32.6432 0.40 . 1 . 16369 . A 117 ARG CB . 18622 1 329 . 1 1 27 27 ARG CD C 13 43.9190 0.32 . 1 . . . A 117 ARG CD . 18622 1 330 . 1 1 27 27 ARG N N 15 118.1613 0.05 . 1 . 15903 . A 117 ARG N . 18622 1 331 . 1 1 28 28 ILE H H 1 7.5058 0.01 . 1 . 16694 . A 118 ILE H . 18622 1 332 . 1 1 28 28 ILE HA H 1 3.8120 0.03 . 1 . . . A 118 ILE HA . 18622 1 333 . 1 1 28 28 ILE HB H 1 1.1500 0.03 . 1 . . . A 118 ILE HB . 18622 1 334 . 1 1 28 28 ILE HG12 H 1 0.2530 0.03 . 2 . 50982 . A 118 ILE HG12 . 18622 1 335 . 1 1 28 28 ILE HG13 H 1 -0.4500 0.03 . 2 . . . A 118 ILE HG13 . 18622 1 336 . 1 1 28 28 ILE HG21 H 1 0.0800 0.03 . 1 . 50985 . A 118 ILE HG21 . 18622 1 337 . 1 1 28 28 ILE HG22 H 1 0.0800 0.03 . 1 . 50985 . A 118 ILE HG22 . 18622 1 338 . 1 1 28 28 ILE HG23 H 1 0.0800 0.03 . 1 . 50985 . A 118 ILE HG23 . 18622 1 339 . 1 1 28 28 ILE HD11 H 1 -0.2170 0.03 . 1 . . . A 118 ILE HD11 . 18622 1 340 . 1 1 28 28 ILE HD12 H 1 -0.2170 0.03 . 1 . . . A 118 ILE HD12 . 18622 1 341 . 1 1 28 28 ILE HD13 H 1 -0.2170 0.03 . 1 . . . A 118 ILE HD13 . 18622 1 342 . 1 1 28 28 ILE C C 13 173.9687 0.09 . 1 . . . A 118 ILE C . 18622 1 343 . 1 1 28 28 ILE CA C 13 59.2756 0.40 . 1 . 15622 . A 118 ILE CA . 18622 1 344 . 1 1 28 28 ILE CB C 13 36.3615 0.40 . 1 . 15634 . A 118 ILE CB . 18622 1 345 . 1 1 28 28 ILE CG1 C 13 27.3000 0.32 . 1 . . . A 118 ILE CG1 . 18622 1 346 . 1 1 28 28 ILE CG2 C 13 17.5500 0.32 . 1 . . . A 118 ILE CG2 . 18622 1 347 . 1 1 28 28 ILE CD1 C 13 11.8640 0.32 . 1 . . . A 118 ILE CD1 . 18622 1 348 . 1 1 28 28 ILE N N 15 120.5959 0.05 . 1 . 16695 . A 118 ILE N . 18622 1 349 . 1 1 29 29 ILE H H 1 8.5218 0.01 . 1 . 15953 . A 119 ILE H . 18622 1 350 . 1 1 29 29 ILE HA H 1 4.4320 0.03 . 1 . 55998 . A 119 ILE HA . 18622 1 351 . 1 1 29 29 ILE HB H 1 2.1090 0.03 . 1 . 52701 . A 119 ILE HB . 18622 1 352 . 1 1 29 29 ILE HG12 H 1 1.4000 0.03 . 2 . 52851 . A 119 ILE HG12 . 18622 1 353 . 1 1 29 29 ILE HG13 H 1 1.2000 0.03 . 2 . . . A 119 ILE HG13 . 18622 1 354 . 1 1 29 29 ILE HG21 H 1 0.9000 0.03 . 1 . 52884 . A 119 ILE HG21 . 18622 1 355 . 1 1 29 29 ILE HG22 H 1 0.9000 0.03 . 1 . 52884 . A 119 ILE HG22 . 18622 1 356 . 1 1 29 29 ILE HG23 H 1 0.9000 0.03 . 1 . 52884 . A 119 ILE HG23 . 18622 1 357 . 1 1 29 29 ILE HD11 H 1 0.7750 0.03 . 1 . 52887 . A 119 ILE HD11 . 18622 1 358 . 1 1 29 29 ILE HD12 H 1 0.7750 0.03 . 1 . 52887 . A 119 ILE HD12 . 18622 1 359 . 1 1 29 29 ILE HD13 H 1 0.7750 0.03 . 1 . 52887 . A 119 ILE HD13 . 18622 1 360 . 1 1 29 29 ILE CA C 13 56.5706 0.40 . 1 . 14935 . A 119 ILE CA . 18622 1 361 . 1 1 29 29 ILE CB C 13 36.3487 0.40 . 1 . 14938 . A 119 ILE CB . 18622 1 362 . 1 1 29 29 ILE CG1 C 13 26.6000 0.32 . 1 . . . A 119 ILE CG1 . 18622 1 363 . 1 1 29 29 ILE CG2 C 13 17.7000 0.32 . 1 . . . A 119 ILE CG2 . 18622 1 364 . 1 1 29 29 ILE CD1 C 13 11.3000 0.32 . 1 . . . A 119 ILE CD1 . 18622 1 365 . 1 1 29 29 ILE N N 15 129.0754 0.05 . 1 . 15954 . A 119 ILE N . 18622 1 366 . 1 1 30 30 PRO HA H 1 3.7090 0.03 . 1 . . . A 120 PRO HA . 18622 1 367 . 1 1 30 30 PRO HB2 H 1 1.8130 0.03 . 2 . . . A 120 PRO HB2 . 18622 1 368 . 1 1 30 30 PRO HG2 H 1 1.9820 0.03 . 2 . . . A 120 PRO HG2 . 18622 1 369 . 1 1 30 30 PRO HG3 H 1 1.5050 0.03 . 2 . . . A 120 PRO HG3 . 18622 1 370 . 1 1 30 30 PRO HD2 H 1 4.0500 0.03 . 2 . . . A 120 PRO HD2 . 18622 1 371 . 1 1 30 30 PRO HD3 H 1 4.3040 0.03 . 2 . . . A 120 PRO HD3 . 18622 1 372 . 1 1 30 30 PRO C C 13 176.6873 0.09 . 1 . . . A 120 PRO C . 18622 1 373 . 1 1 30 30 PRO CA C 13 65.7435 0.40 . 1 . 16474 . A 120 PRO CA . 18622 1 374 . 1 1 30 30 PRO CB C 13 32.6245 0.40 . 1 . 16477 . A 120 PRO CB . 18622 1 375 . 1 1 30 30 PRO CG C 13 27.8590 0.32 . 1 . . . A 120 PRO CG . 18622 1 376 . 1 1 30 30 PRO CD C 13 51.4150 0.32 . 1 . . . A 120 PRO CD . 18622 1 377 . 1 1 31 31 THR H H 1 6.7396 0.01 . 1 . 15785 . A 121 THR H . 18622 1 378 . 1 1 31 31 THR HA H 1 4.2240 0.03 . 1 . . . A 121 THR HA . 18622 1 379 . 1 1 31 31 THR HB H 1 3.7160 0.03 . 1 . . . A 121 THR HB . 18622 1 380 . 1 1 31 31 THR HG21 H 1 1.1980 0.03 . 1 . . . A 121 THR HG21 . 18622 1 381 . 1 1 31 31 THR HG22 H 1 1.1980 0.03 . 1 . . . A 121 THR HG22 . 18622 1 382 . 1 1 31 31 THR HG23 H 1 1.1980 0.03 . 1 . . . A 121 THR HG23 . 18622 1 383 . 1 1 31 31 THR C C 13 175.9592 0.09 . 1 . . . A 121 THR C . 18622 1 384 . 1 1 31 31 THR CA C 13 64.2585 0.40 . 1 . 15787 . A 121 THR CA . 18622 1 385 . 1 1 31 31 THR CB C 13 67.2528 0.40 . 1 . 15784 . A 121 THR CB . 18622 1 386 . 1 1 31 31 THR CG2 C 13 23.2940 0.32 . 1 . . . A 121 THR CG2 . 18622 1 387 . 1 1 31 31 THR N N 15 127.9526 0.05 . 1 . 15786 . A 121 THR N . 18622 1 388 . 1 1 32 32 ASP H H 1 7.4592 0.01 . 1 . 16697 . A 122 ASP H . 18622 1 389 . 1 1 32 32 ASP HA H 1 4.6220 0.03 . 1 . . . A 122 ASP HA . 18622 1 390 . 1 1 32 32 ASP HB2 H 1 2.7160 0.03 . 2 . . . A 122 ASP HB2 . 18622 1 391 . 1 1 32 32 ASP C C 13 176.9246 0.09 . 1 . . . A 122 ASP C . 18622 1 392 . 1 1 32 32 ASP CA C 13 56.1479 0.40 . 1 . 15628 . A 122 ASP CA . 18622 1 393 . 1 1 32 32 ASP CB C 13 41.2299 0.40 . 1 . 15631 . A 122 ASP CB . 18622 1 394 . 1 1 32 32 ASP N N 15 120.2084 0.05 . 1 . 16698 . A 122 ASP N . 18622 1 395 . 1 1 33 33 ILE H H 1 6.8423 0.01 . 1 . 16784 . A 123 ILE H . 18622 1 396 . 1 1 33 33 ILE HA H 1 4.8950 0.03 . 1 . . . A 123 ILE HA . 18622 1 397 . 1 1 33 33 ILE HB H 1 1.8260 0.03 . 1 . . . A 123 ILE HB . 18622 1 398 . 1 1 33 33 ILE HG12 H 1 1.3580 0.03 . 2 . . . A 123 ILE HG12 . 18622 1 399 . 1 1 33 33 ILE HG13 H 1 1.5050 0.03 . 2 . . . A 123 ILE HG13 . 18622 1 400 . 1 1 33 33 ILE HG21 H 1 0.6950 0.03 . 1 . . . A 123 ILE HG21 . 18622 1 401 . 1 1 33 33 ILE HG22 H 1 0.6950 0.03 . 1 . . . A 123 ILE HG22 . 18622 1 402 . 1 1 33 33 ILE HG23 H 1 0.6950 0.03 . 1 . . . A 123 ILE HG23 . 18622 1 403 . 1 1 33 33 ILE HD11 H 1 0.5600 0.03 . 1 . . . A 123 ILE HD11 . 18622 1 404 . 1 1 33 33 ILE HD12 H 1 0.5600 0.03 . 1 . . . A 123 ILE HD12 . 18622 1 405 . 1 1 33 33 ILE HD13 H 1 0.5600 0.03 . 1 . . . A 123 ILE HD13 . 18622 1 406 . 1 1 33 33 ILE C C 13 177.0199 0.09 . 1 . . . A 123 ILE C . 18622 1 407 . 1 1 33 33 ILE CA C 13 61.1138 0.40 . 1 . 15793 . A 123 ILE CA . 18622 1 408 . 1 1 33 33 ILE CB C 13 41.0340 0.40 . 1 . 15796 . A 123 ILE CB . 18622 1 409 . 1 1 33 33 ILE CG1 C 13 27.4000 0.32 . 1 . . . A 123 ILE CG1 . 18622 1 410 . 1 1 33 33 ILE CG2 C 13 16.5000 0.32 . 1 . . . A 123 ILE CG2 . 18622 1 411 . 1 1 33 33 ILE CD1 C 13 14.4610 0.32 . 1 . . . A 123 ILE CD1 . 18622 1 412 . 1 1 33 33 ILE N N 15 110.2648 0.05 . 1 . 16785 . A 123 ILE N . 18622 1 413 . 1 1 34 34 ILE H H 1 7.5613 0.01 . 1 . 16643 . A 124 ILE H . 18622 1 414 . 1 1 34 34 ILE HA H 1 3.7500 0.03 . 1 . . . A 124 ILE HA . 18622 1 415 . 1 1 34 34 ILE HB H 1 1.9010 0.03 . 1 . . . A 124 ILE HB . 18622 1 416 . 1 1 34 34 ILE HG12 H 1 1.2510 0.03 . 2 . . . A 124 ILE HG12 . 18622 1 417 . 1 1 34 34 ILE HG13 H 1 1.3700 0.03 . 2 . . . A 124 ILE HG13 . 18622 1 418 . 1 1 34 34 ILE HG21 H 1 0.9100 0.03 . 1 . . . A 124 ILE HG21 . 18622 1 419 . 1 1 34 34 ILE HG22 H 1 0.9100 0.03 . 1 . . . A 124 ILE HG22 . 18622 1 420 . 1 1 34 34 ILE HG23 H 1 0.9100 0.03 . 1 . . . A 124 ILE HG23 . 18622 1 421 . 1 1 34 34 ILE HD11 H 1 0.8010 0.03 . 1 . . . A 124 ILE HD11 . 18622 1 422 . 1 1 34 34 ILE HD12 H 1 0.8010 0.03 . 1 . . . A 124 ILE HD12 . 18622 1 423 . 1 1 34 34 ILE HD13 H 1 0.8010 0.03 . 1 . . . A 124 ILE HD13 . 18622 1 424 . 1 1 34 34 ILE C C 13 177.1324 0.09 . 1 . . . A 124 ILE C . 18622 1 425 . 1 1 34 34 ILE CA C 13 63.7353 0.40 . 1 . 16162 . A 124 ILE CA . 18622 1 426 . 1 1 34 34 ILE CB C 13 37.7184 0.40 . 1 . 15601 . A 124 ILE CB . 18622 1 427 . 1 1 34 34 ILE CG1 C 13 28.4890 0.32 . 1 . . . A 124 ILE CG1 . 18622 1 428 . 1 1 34 34 ILE CG2 C 13 18.5440 0.32 . 1 . . . A 124 ILE CG2 . 18622 1 429 . 1 1 34 34 ILE CD1 C 13 14.8400 0.32 . 1 . . . A 124 ILE CD1 . 18622 1 430 . 1 1 34 34 ILE N N 15 121.7413 0.05 . 1 . 16644 . A 124 ILE N . 18622 1 431 . 1 1 35 35 SER H H 1 8.3790 0.01 . 1 . 15287 . A 125 SER H . 18622 1 432 . 1 1 35 35 SER HA H 1 3.8800 0.03 . 1 . . . A 125 SER HA . 18622 1 433 . 1 1 35 35 SER HB2 H 1 4.1890 0.03 . 2 . . . A 125 SER HB2 . 18622 1 434 . 1 1 35 35 SER C C 13 177.0283 0.09 . 1 . . . A 125 SER C . 18622 1 435 . 1 1 35 35 SER CA C 13 62.0640 0.40 . 1 . 15283 . A 125 SER CA . 18622 1 436 . 1 1 35 35 SER CB C 13 61.9170 0.40 . 1 . . . A 125 SER CB . 18622 1 437 . 1 1 35 35 SER N N 15 117.2124 0.05 . 1 . 15288 . A 125 SER N . 18622 1 438 . 1 1 36 36 ASP H H 1 7.7101 0.01 . 1 . 16646 . A 126 ASP H . 18622 1 439 . 1 1 36 36 ASP HA H 1 4.6730 0.03 . 1 . . . A 126 ASP HA . 18622 1 440 . 1 1 36 36 ASP HB2 H 1 2.7460 0.03 . 2 . . . A 126 ASP HB2 . 18622 1 441 . 1 1 36 36 ASP HB3 H 1 2.6670 0.03 . 2 . . . A 126 ASP HB3 . 18622 1 442 . 1 1 36 36 ASP C C 13 177.2563 0.09 . 1 . . . A 126 ASP C . 18622 1 443 . 1 1 36 36 ASP CA C 13 56.0375 0.40 . 1 . 17033 . A 126 ASP CA . 18622 1 444 . 1 1 36 36 ASP CB C 13 41.2302 0.40 . 1 . 17032 . A 126 ASP CB . 18622 1 445 . 1 1 36 36 ASP N N 15 119.9879 0.05 . 1 . 16647 . A 126 ASP N . 18622 1 446 . 1 1 37 37 LEU H H 1 7.5845 0.01 . 1 . 15824 . A 127 LEU H . 18622 1 447 . 1 1 37 37 LEU HA H 1 4.4370 0.03 . 1 . . . A 127 LEU HA . 18622 1 448 . 1 1 37 37 LEU HB2 H 1 1.6590 0.03 . 2 . . . A 127 LEU HB2 . 18622 1 449 . 1 1 37 37 LEU HB3 H 1 1.7140 0.03 . 2 . 49446 . A 127 LEU HB3 . 18622 1 450 . 1 1 37 37 LEU HG H 1 1.6420 0.03 . 1 . . . A 127 LEU HG . 18622 1 451 . 1 1 37 37 LEU HD11 H 1 0.7420 0.03 . 2 . . . A 127 LEU HD11 . 18622 1 452 . 1 1 37 37 LEU HD12 H 1 0.7420 0.03 . 2 . . . A 127 LEU HD12 . 18622 1 453 . 1 1 37 37 LEU HD13 H 1 0.7420 0.03 . 2 . . . A 127 LEU HD13 . 18622 1 454 . 1 1 37 37 LEU HD21 H 1 0.7840 0.03 . 2 . . . A 127 LEU HD21 . 18622 1 455 . 1 1 37 37 LEU HD22 H 1 0.7840 0.03 . 2 . . . A 127 LEU HD22 . 18622 1 456 . 1 1 37 37 LEU HD23 H 1 0.7840 0.03 . 2 . . . A 127 LEU HD23 . 18622 1 457 . 1 1 37 37 LEU C C 13 177.6051 0.09 . 1 . . . A 127 LEU C . 18622 1 458 . 1 1 37 37 LEU CA C 13 54.2549 0.40 . 1 . 15673 . A 127 LEU CA . 18622 1 459 . 1 1 37 37 LEU CB C 13 42.1197 0.40 . 1 . 15691 . A 127 LEU CB . 18622 1 460 . 1 1 37 37 LEU CG C 13 26.6120 0.32 . 1 . . . A 127 LEU CG . 18622 1 461 . 1 1 37 37 LEU CD1 C 13 26.6120 0.32 . 2 . . . A 127 LEU CD1 . 18622 1 462 . 1 1 37 37 LEU CD2 C 13 22.9520 0.32 . 2 . . . A 127 LEU CD2 . 18622 1 463 . 1 1 37 37 LEU N N 15 117.8407 0.05 . 1 . 15825 . A 127 LEU N . 18622 1 464 . 1 1 38 38 SER H H 1 7.6565 0.01 . 1 . 15686 . A 128 SER H . 18622 1 465 . 1 1 38 38 SER HA H 1 4.1780 0.03 . 1 . . . A 128 SER HA . 18622 1 466 . 1 1 38 38 SER HB2 H 1 4.0440 0.03 . 2 . . . A 128 SER HB2 . 18622 1 467 . 1 1 38 38 SER C C 13 175.5517 0.09 . 1 . . . A 128 SER C . 18622 1 468 . 1 1 38 38 SER CA C 13 62.0928 0.40 . 1 . 15688 . A 128 SER CA . 18622 1 469 . 1 1 38 38 SER CB C 13 63.5490 0.40 . 1 . . . A 128 SER CB . 18622 1 470 . 1 1 38 38 SER N N 15 117.0517 0.05 . 1 . 15687 . A 128 SER N . 18622 1 471 . 1 1 39 39 GLU H H 1 8.3681 0.01 . 1 . 16148 . A 129 GLU H . 18622 1 472 . 1 1 39 39 GLU HA H 1 4.3630 0.03 . 1 . . . A 129 GLU HA . 18622 1 473 . 1 1 39 39 GLU HB2 H 1 2.1570 0.03 . 2 . . . A 129 GLU HB2 . 18622 1 474 . 1 1 39 39 GLU HB3 H 1 2.0000 0.03 . 2 . . . A 129 GLU HB3 . 18622 1 475 . 1 1 39 39 GLU HG2 H 1 2.3070 0.03 . 2 . . . A 129 GLU HG2 . 18622 1 476 . 1 1 39 39 GLU C C 13 177.3488 0.09 . 1 . . . A 129 GLU C . 18622 1 477 . 1 1 39 39 GLU CA C 13 57.6215 0.40 . 1 . 15232 . A 129 GLU CA . 18622 1 478 . 1 1 39 39 GLU CB C 13 29.6635 0.40 . 1 . 15265 . A 129 GLU CB . 18622 1 479 . 1 1 39 39 GLU CG C 13 36.7490 0.32 . 1 . . . A 129 GLU CG . 18622 1 480 . 1 1 39 39 GLU N N 15 117.7789 0.05 . 1 . 16149 . A 129 GLU N . 18622 1 481 . 1 1 40 40 CYS H H 1 8.1561 0.01 . 1 . 16667 . A 130 CYS H . 18622 1 482 . 1 1 40 40 CYS HA H 1 4.6300 0.03 . 1 . . . A 130 CYS HA . 18622 1 483 . 1 1 40 40 CYS HB2 H 1 3.0130 0.03 . 2 . . . A 130 CYS HB2 . 18622 1 484 . 1 1 40 40 CYS HB3 H 1 2.9150 0.03 . 2 . . . A 130 CYS HB3 . 18622 1 485 . 1 1 40 40 CYS C C 13 172.7161 0.09 . 1 . . . A 130 CYS C . 18622 1 486 . 1 1 40 40 CYS CA C 13 58.6956 0.40 . 1 . 15352 . A 130 CYS CA . 18622 1 487 . 1 1 40 40 CYS CB C 13 29.5234 0.40 . 1 . 15355 . A 130 CYS CB . 18622 1 488 . 1 1 40 40 CYS N N 15 114.6029 0.05 . 1 . 16668 . A 130 CYS N . 18622 1 489 . 1 1 41 41 LEU H H 1 7.3610 0.01 . 1 . 16766 . A 131 LEU H . 18622 1 490 . 1 1 41 41 LEU HA H 1 4.7430 0.03 . 1 . . . A 131 LEU HA . 18622 1 491 . 1 1 41 41 LEU HB2 H 1 1.5590 0.03 . 2 . . . A 131 LEU HB2 . 18622 1 492 . 1 1 41 41 LEU HB3 H 1 1.4360 0.03 . 2 . . . A 131 LEU HB3 . 18622 1 493 . 1 1 41 41 LEU HG H 1 1.5360 0.03 . 1 . . . A 131 LEU HG . 18622 1 494 . 1 1 41 41 LEU HD11 H 1 0.6100 0.03 . 2 . . . A 131 LEU HD11 . 18622 1 495 . 1 1 41 41 LEU HD12 H 1 0.6100 0.03 . 2 . . . A 131 LEU HD12 . 18622 1 496 . 1 1 41 41 LEU HD13 H 1 0.6100 0.03 . 2 . . . A 131 LEU HD13 . 18622 1 497 . 1 1 41 41 LEU HD21 H 1 0.6000 0.03 . 2 . 54309 . A 131 LEU HD21 . 18622 1 498 . 1 1 41 41 LEU HD22 H 1 0.6000 0.03 . 2 . 54309 . A 131 LEU HD22 . 18622 1 499 . 1 1 41 41 LEU HD23 H 1 0.6000 0.03 . 2 . 54309 . A 131 LEU HD23 . 18622 1 500 . 1 1 41 41 LEU C C 13 175.9776 0.09 . 1 . . . A 131 LEU C . 18622 1 501 . 1 1 41 41 LEU CA C 13 53.6047 0.40 . 1 . 16825 . A 131 LEU CA . 18622 1 502 . 1 1 41 41 LEU CB C 13 44.8145 0.40 . 1 . 16816 . A 131 LEU CB . 18622 1 503 . 1 1 41 41 LEU CG C 13 26.5900 0.32 . 1 . . . A 131 LEU CG . 18622 1 504 . 1 1 41 41 LEU CD1 C 13 26.5900 0.32 . 2 . . . A 131 LEU CD1 . 18622 1 505 . 1 1 41 41 LEU CD2 C 13 22.9580 0.32 . 2 . . . A 131 LEU CD2 . 18622 1 506 . 1 1 41 41 LEU N N 15 121.6106 0.05 . 1 . 16767 . A 131 LEU N . 18622 1 507 . 1 1 42 42 ILE H H 1 8.3650 0.01 . 1 . 16814 . A 132 ILE H . 18622 1 508 . 1 1 42 42 ILE HA H 1 4.5420 0.03 . 1 . . . A 132 ILE HA . 18622 1 509 . 1 1 42 42 ILE HB H 1 2.0280 0.03 . 1 . . . A 132 ILE HB . 18622 1 510 . 1 1 42 42 ILE HG12 H 1 1.3310 0.03 . 2 . 53400 . A 132 ILE HG12 . 18622 1 511 . 1 1 42 42 ILE HG21 H 1 1.0190 0.03 . 1 . . . A 132 ILE HG21 . 18622 1 512 . 1 1 42 42 ILE HG22 H 1 1.0190 0.03 . 1 . . . A 132 ILE HG22 . 18622 1 513 . 1 1 42 42 ILE HG23 H 1 1.0190 0.03 . 1 . . . A 132 ILE HG23 . 18622 1 514 . 1 1 42 42 ILE HD11 H 1 0.9070 0.03 . 1 . . . A 132 ILE HD11 . 18622 1 515 . 1 1 42 42 ILE HD12 H 1 0.9070 0.03 . 1 . . . A 132 ILE HD12 . 18622 1 516 . 1 1 42 42 ILE HD13 H 1 0.9070 0.03 . 1 . . . A 132 ILE HD13 . 18622 1 517 . 1 1 42 42 ILE C C 13 178.1346 0.09 . 1 . . . A 132 ILE C . 18622 1 518 . 1 1 42 42 ILE CA C 13 60.4789 0.40 . 1 . 16828 . A 132 ILE CA . 18622 1 519 . 1 1 42 42 ILE CB C 13 39.7903 0.40 . 1 . 16831 . A 132 ILE CB . 18622 1 520 . 1 1 42 42 ILE CG1 C 13 26.8000 0.32 . 1 . . . A 132 ILE CG1 . 18622 1 521 . 1 1 42 42 ILE CG2 C 13 17.7000 0.32 . 1 . . . A 132 ILE CG2 . 18622 1 522 . 1 1 42 42 ILE CD1 C 13 13.4500 0.32 . 1 . . . A 132 ILE CD1 . 18622 1 523 . 1 1 42 42 ILE N N 15 116.4906 0.05 . 1 . 16815 . A 132 ILE N . 18622 1 524 . 1 1 43 43 ASN H H 1 9.0298 0.01 . 1 . 15932 . A 133 ASN H . 18622 1 525 . 1 1 43 43 ASN HA H 1 4.2860 0.03 . 1 . . . A 133 ASN HA . 18622 1 526 . 1 1 43 43 ASN HB2 H 1 2.8680 0.03 . 2 . . . A 133 ASN HB2 . 18622 1 527 . 1 1 43 43 ASN HB3 H 1 2.7760 0.03 . 2 . . . A 133 ASN HB3 . 18622 1 528 . 1 1 43 43 ASN C C 13 177.1932 0.09 . 1 . . . A 133 ASN C . 18622 1 529 . 1 1 43 43 ASN CA C 13 57.5093 0.40 . 1 . 14893 . A 133 ASN CA . 18622 1 530 . 1 1 43 43 ASN CB C 13 37.9957 0.40 . 1 . 14899 . A 133 ASN CB . 18622 1 531 . 1 1 43 43 ASN N N 15 123.6239 0.05 . 1 . 15933 . A 133 ASN N . 18622 1 532 . 1 1 44 44 GLN H H 1 8.8116 0.01 . 1 . 16649 . A 134 GLN H . 18622 1 533 . 1 1 44 44 GLN HA H 1 4.1690 0.03 . 1 . . . A 134 GLN HA . 18622 1 534 . 1 1 44 44 GLN HB2 H 1 2.0580 0.03 . 2 . . . A 134 GLN HB2 . 18622 1 535 . 1 1 44 44 GLN HG2 H 1 2.4010 0.03 . 2 . . . A 134 GLN HG2 . 18622 1 536 . 1 1 44 44 GLN C C 13 178.1566 0.09 . 1 . . . A 134 GLN C . 18622 1 537 . 1 1 44 44 GLN CA C 13 58.7537 0.40 . 1 . 15016 . A 134 GLN CA . 18622 1 538 . 1 1 44 44 GLN CB C 13 28.4339 0.40 . 1 . 16447 . A 134 GLN CB . 18622 1 539 . 1 1 44 44 GLN CG C 13 34.0650 0.32 . 1 . . . A 134 GLN CG . 18622 1 540 . 1 1 44 44 GLN N N 15 118.4524 0.05 . 1 . 16650 . A 134 GLN N . 18622 1 541 . 1 1 45 45 GLU H H 1 7.3094 0.01 . 1 . 16610 . A 135 GLU H . 18622 1 542 . 1 1 45 45 GLU HA H 1 4.0740 0.03 . 1 . . . A 135 GLU HA . 18622 1 543 . 1 1 45 45 GLU HB2 H 1 2.3700 0.03 . 2 . . . A 135 GLU HB2 . 18622 1 544 . 1 1 45 45 GLU HB3 H 1 2.0800 0.03 . 2 . . . A 135 GLU HB3 . 18622 1 545 . 1 1 45 45 GLU HG2 H 1 2.2930 0.03 . 2 . . . A 135 GLU HG2 . 18622 1 546 . 1 1 45 45 GLU HG3 H 1 2.2500 0.03 . 2 . . . A 135 GLU HG3 . 18622 1 547 . 1 1 45 45 GLU C C 13 178.6088 0.09 . 1 . . . A 135 GLU C . 18622 1 548 . 1 1 45 45 GLU CA C 13 59.2705 0.40 . 1 . 15736 . A 135 GLU CA . 18622 1 549 . 1 1 45 45 GLU CB C 13 29.7140 0.40 . 1 . 16324 . A 135 GLU CB . 18622 1 550 . 1 1 45 45 GLU CG C 13 38.1450 0.32 . 1 . . . A 135 GLU CG . 18622 1 551 . 1 1 45 45 GLU N N 15 118.5224 0.05 . 1 . 16611 . A 135 GLU N . 18622 1 552 . 1 1 46 46 CYS H H 1 7.8564 0.01 . 1 . 16580 . A 136 CYS H . 18622 1 553 . 1 1 46 46 CYS HA H 1 3.8240 0.03 . 1 . . . A 136 CYS HA . 18622 1 554 . 1 1 46 46 CYS HB2 H 1 3.1430 0.03 . 2 . . . A 136 CYS HB2 . 18622 1 555 . 1 1 46 46 CYS HB3 H 1 2.7100 0.03 . 2 . . . A 136 CYS HB3 . 18622 1 556 . 1 1 46 46 CYS C C 13 176.2270 0.09 . 1 . . . A 136 CYS C . 18622 1 557 . 1 1 46 46 CYS CA C 13 64.0159 0.40 . 1 . 16297 . A 136 CYS CA . 18622 1 558 . 1 1 46 46 CYS CB C 13 26.3471 0.40 . 1 . 15559 . A 136 CYS CB . 18622 1 559 . 1 1 46 46 CYS N N 15 117.4224 0.05 . 1 . 16581 . A 136 CYS N . 18622 1 560 . 1 1 47 47 GLU H H 1 8.0611 0.01 . 1 . 15509 . A 137 GLU H . 18622 1 561 . 1 1 47 47 GLU HA H 1 3.8750 0.03 . 1 . . . A 137 GLU HA . 18622 1 562 . 1 1 47 47 GLU HB2 H 1 2.0070 0.03 . 2 . . . A 137 GLU HB2 . 18622 1 563 . 1 1 47 47 GLU HB3 H 1 2.2080 0.03 . 2 . . . A 137 GLU HB3 . 18622 1 564 . 1 1 47 47 GLU HG2 H 1 2.2660 0.03 . 2 . . . A 137 GLU HG2 . 18622 1 565 . 1 1 47 47 GLU C C 13 179.2311 0.09 . 1 . . . A 137 GLU C . 18622 1 566 . 1 1 47 47 GLU CA C 13 59.5834 0.40 . 1 . 15517 . A 137 GLU CA . 18622 1 567 . 1 1 47 47 GLU CB C 13 29.2115 0.40 . 1 . 15529 . A 137 GLU CB . 18622 1 568 . 1 1 47 47 GLU CG C 13 36.3850 0.32 . 1 . . . A 137 GLU CG . 18622 1 569 . 1 1 47 47 GLU N N 15 117.5898 0.05 . 1 . 15510 . A 137 GLU N . 18622 1 570 . 1 1 48 48 GLU H H 1 7.9900 0.01 . 1 . 16523 . A 138 GLU H . 18622 1 571 . 1 1 48 48 GLU HA H 1 4.0160 0.03 . 1 . . . A 138 GLU HA . 18622 1 572 . 1 1 48 48 GLU HB2 H 1 2.1370 0.03 . 2 . . . A 138 GLU HB2 . 18622 1 573 . 1 1 48 48 GLU HB3 H 1 2.0180 0.03 . 2 . . . A 138 GLU HB3 . 18622 1 574 . 1 1 48 48 GLU HG2 H 1 2.3900 0.03 . 2 . . . A 138 GLU HG2 . 18622 1 575 . 1 1 48 48 GLU HG3 H 1 2.1240 0.03 . 2 . . . A 138 GLU HG3 . 18622 1 576 . 1 1 48 48 GLU C C 13 179.0346 0.09 . 1 . . . A 138 GLU C . 18622 1 577 . 1 1 48 48 GLU CA C 13 59.6504 0.40 . 1 . 16102 . A 138 GLU CA . 18622 1 578 . 1 1 48 48 GLU CB C 13 29.6805 0.40 . 1 . 16111 . A 138 GLU CB . 18622 1 579 . 1 1 48 48 GLU CG C 13 36.2860 0.32 . 1 . . . A 138 GLU CG . 18622 1 580 . 1 1 48 48 GLU N N 15 121.0610 0.05 . 1 . 16524 . A 138 GLU N . 18622 1 581 . 1 1 49 49 ILE H H 1 8.3685 0.01 . 1 . 15194 . A 139 ILE H . 18622 1 582 . 1 1 49 49 ILE HA H 1 3.3840 0.03 . 1 . . . A 139 ILE HA . 18622 1 583 . 1 1 49 49 ILE HB H 1 1.8620 0.03 . 1 . . . A 139 ILE HB . 18622 1 584 . 1 1 49 49 ILE HG12 H 1 1.0630 0.03 . 2 . . . A 139 ILE HG12 . 18622 1 585 . 1 1 49 49 ILE HG21 H 1 0.6860 0.03 . 1 . . . A 139 ILE HG21 . 18622 1 586 . 1 1 49 49 ILE HG22 H 1 0.6860 0.03 . 1 . . . A 139 ILE HG22 . 18622 1 587 . 1 1 49 49 ILE HG23 H 1 0.6860 0.03 . 1 . . . A 139 ILE HG23 . 18622 1 588 . 1 1 49 49 ILE HD11 H 1 0.7720 0.03 . 1 . . . A 139 ILE HD11 . 18622 1 589 . 1 1 49 49 ILE HD12 H 1 0.7720 0.03 . 1 . . . A 139 ILE HD12 . 18622 1 590 . 1 1 49 49 ILE HD13 H 1 0.7720 0.03 . 1 . . . A 139 ILE HD13 . 18622 1 591 . 1 1 49 49 ILE C C 13 178.4918 0.09 . 1 . . . A 139 ILE C . 18622 1 592 . 1 1 49 49 ILE CA C 13 66.3532 0.40 . 1 . 16096 . A 139 ILE CA . 18622 1 593 . 1 1 49 49 ILE CB C 13 38.5031 0.40 . 1 . 15178 . A 139 ILE CB . 18622 1 594 . 1 1 49 49 ILE CG2 C 13 17.6300 0.32 . 1 . . . A 139 ILE CG2 . 18622 1 595 . 1 1 49 49 ILE CD1 C 13 13.8500 0.32 . 1 . . . A 139 ILE CD1 . 18622 1 596 . 1 1 49 49 ILE N N 15 119.3904 0.05 . 1 . 15195 . A 139 ILE N . 18622 1 597 . 1 1 50 50 LEU H H 1 8.1072 0.01 . 1 . 16556 . A 140 LEU H . 18622 1 598 . 1 1 50 50 LEU HA H 1 3.8840 0.03 . 1 . . . A 140 LEU HA . 18622 1 599 . 1 1 50 50 LEU HB2 H 1 1.8790 0.03 . 2 . . . A 140 LEU HB2 . 18622 1 600 . 1 1 50 50 LEU HB3 H 1 1.4750 0.03 . 2 . . . A 140 LEU HB3 . 18622 1 601 . 1 1 50 50 LEU HG H 1 1.7990 0.03 . 1 . . . A 140 LEU HG . 18622 1 602 . 1 1 50 50 LEU HD11 H 1 0.8130 0.03 . 2 . . . A 140 LEU HD11 . 18622 1 603 . 1 1 50 50 LEU HD12 H 1 0.8130 0.03 . 2 . . . A 140 LEU HD12 . 18622 1 604 . 1 1 50 50 LEU HD13 H 1 0.8130 0.03 . 2 . . . A 140 LEU HD13 . 18622 1 605 . 1 1 50 50 LEU C C 13 179.8268 0.09 . 1 . . . A 140 LEU C . 18622 1 606 . 1 1 50 50 LEU CA C 13 58.8033 0.40 . 1 . 15172 . A 140 LEU CA . 18622 1 607 . 1 1 50 50 LEU CB C 13 41.1085 0.40 . 1 . 16087 . A 140 LEU CB . 18622 1 608 . 1 1 50 50 LEU CD1 C 13 24.8590 0.32 . 2 . . . A 140 LEU CD1 . 18622 1 609 . 1 1 50 50 LEU CD2 C 13 24.8590 0.32 . 2 . . . A 140 LEU CD2 . 18622 1 610 . 1 1 50 50 LEU N N 15 120.3747 0.05 . 1 . 16557 . A 140 LEU N . 18622 1 611 . 1 1 51 51 GLN H H 1 8.2470 0.01 . 1 . 16508 . A 141 GLN H . 18622 1 612 . 1 1 51 51 GLN HA H 1 4.0860 0.03 . 1 . . . A 141 GLN HA . 18622 1 613 . 1 1 51 51 GLN HB2 H 1 2.2030 0.03 . 2 . . . A 141 GLN HB2 . 18622 1 614 . 1 1 51 51 GLN HG2 H 1 2.4070 0.03 . 2 . . . A 141 GLN HG2 . 18622 1 615 . 1 1 51 51 GLN HG3 H 1 2.3400 0.03 . 2 . . . A 141 GLN HG3 . 18622 1 616 . 1 1 51 51 GLN C C 13 179.7914 0.09 . 1 . . . A 141 GLN C . 18622 1 617 . 1 1 51 51 GLN CA C 13 59.1934 0.40 . 1 . 15976 . A 141 GLN CA . 18622 1 618 . 1 1 51 51 GLN CB C 13 27.8225 0.40 . 1 . 14983 . A 141 GLN CB . 18622 1 619 . 1 1 51 51 GLN CG C 13 33.6360 0.32 . 1 . . . A 141 GLN CG . 18622 1 620 . 1 1 51 51 GLN N N 15 121.4111 0.05 . 1 . 16509 . A 141 GLN N . 18622 1 621 . 1 1 52 52 ILE H H 1 8.5269 0.01 . 1 . 16499 . A 142 ILE H . 18622 1 622 . 1 1 52 52 ILE HA H 1 3.6540 0.03 . 1 . . . A 142 ILE HA . 18622 1 623 . 1 1 52 52 ILE HB H 1 1.9000 0.03 . 1 . . . A 142 ILE HB . 18622 1 624 . 1 1 52 52 ILE HG12 H 1 1.2300 0.03 . 2 . . . A 142 ILE HG12 . 18622 1 625 . 1 1 52 52 ILE HG13 H 1 1.0680 0.03 . 2 . . . A 142 ILE HG13 . 18622 1 626 . 1 1 52 52 ILE HG21 H 1 0.7950 0.03 . 1 . . . A 142 ILE HG21 . 18622 1 627 . 1 1 52 52 ILE HG22 H 1 0.7950 0.03 . 1 . . . A 142 ILE HG22 . 18622 1 628 . 1 1 52 52 ILE HG23 H 1 0.7950 0.03 . 1 . . . A 142 ILE HG23 . 18622 1 629 . 1 1 52 52 ILE HD11 H 1 0.7860 0.03 . 1 . . . A 142 ILE HD11 . 18622 1 630 . 1 1 52 52 ILE HD12 H 1 0.7860 0.03 . 1 . . . A 142 ILE HD12 . 18622 1 631 . 1 1 52 52 ILE HD13 H 1 0.7860 0.03 . 1 . . . A 142 ILE HD13 . 18622 1 632 . 1 1 52 52 ILE C C 13 178.8450 0.09 . 1 . . . A 142 ILE C . 18622 1 633 . 1 1 52 52 ILE CA C 13 65.3674 0.40 . 1 . 14974 . A 142 ILE CA . 18622 1 634 . 1 1 52 52 ILE CB C 13 38.1608 0.40 . 1 . 14980 . A 142 ILE CB . 18622 1 635 . 1 1 52 52 ILE CG2 C 13 17.9350 0.32 . 1 . . . A 142 ILE CG2 . 18622 1 636 . 1 1 52 52 ILE N N 15 122.8806 0.05 . 1 . 16500 . A 142 ILE N . 18622 1 637 . 1 1 53 53 CYS H H 1 8.5410 0.01 . 1 . 16562 . A 143 CYS H . 18622 1 638 . 1 1 53 53 CYS HA H 1 4.1400 0.03 . 1 . . . A 143 CYS HA . 18622 1 639 . 1 1 53 53 CYS HB2 H 1 3.2420 0.03 . 2 . . . A 143 CYS HB2 . 18622 1 640 . 1 1 53 53 CYS HB3 H 1 2.8580 0.03 . 2 . . . A 143 CYS HB3 . 18622 1 641 . 1 1 53 53 CYS C C 13 176.9970 0.09 . 1 . . . A 143 CYS C . 18622 1 642 . 1 1 53 53 CYS CA C 13 63.8894 0.40 . 1 . 15013 . A 143 CYS CA . 18622 1 643 . 1 1 53 53 CYS CB C 13 27.1019 0.40 . 1 . 16429 . A 143 CYS CB . 18622 1 644 . 1 1 53 53 CYS N N 15 118.6130 0.05 . 1 . 16563 . A 143 CYS N . 18622 1 645 . 1 1 54 54 SER H H 1 7.6427 0.01 . 1 . 15713 . A 144 SER H . 18622 1 646 . 1 1 54 54 SER HA H 1 4.2430 0.03 . 1 . . . A 144 SER HA . 18622 1 647 . 1 1 54 54 SER HB2 H 1 3.9880 0.03 . 2 . . . A 144 SER HB2 . 18622 1 648 . 1 1 54 54 SER C C 13 175.1261 0.09 . 1 . . . A 144 SER C . 18622 1 649 . 1 1 54 54 SER CA C 13 60.7797 0.40 . 1 . 15712 . A 144 SER CA . 18622 1 650 . 1 1 54 54 SER CB C 13 63.7283 0.40 . 1 . 15709 . A 144 SER CB . 18622 1 651 . 1 1 54 54 SER N N 15 111.6038 0.05 . 1 . 15714 . A 144 SER N . 18622 1 652 . 1 1 55 55 THR H H 1 7.8820 0.01 . 1 . 15578 . A 145 THR H . 18622 1 653 . 1 1 55 55 THR HA H 1 4.3890 0.03 . 1 . . . A 145 THR HA . 18622 1 654 . 1 1 55 55 THR HB H 1 4.1390 0.03 . 1 . . . A 145 THR HB . 18622 1 655 . 1 1 55 55 THR HG21 H 1 1.2570 0.03 . 1 . . . A 145 THR HG21 . 18622 1 656 . 1 1 55 55 THR HG22 H 1 1.2570 0.03 . 1 . . . A 145 THR HG22 . 18622 1 657 . 1 1 55 55 THR HG23 H 1 1.2570 0.03 . 1 . . . A 145 THR HG23 . 18622 1 658 . 1 1 55 55 THR C C 13 175.8521 0.09 . 1 . . . A 145 THR C . 18622 1 659 . 1 1 55 55 THR CA C 13 63.2861 0.40 . 1 . 15577 . A 145 THR CA . 18622 1 660 . 1 1 55 55 THR CB C 13 70.5418 0.40 . 1 . 15574 . A 145 THR CB . 18622 1 661 . 1 1 55 55 THR CG2 C 13 22.0390 0.32 . 1 . . . A 145 THR CG2 . 18622 1 662 . 1 1 55 55 THR N N 15 110.8847 0.05 . 1 . 15579 . A 145 THR N . 18622 1 663 . 1 1 56 56 LYS H H 1 8.8973 0.01 . 1 . 15941 . A 146 LYS H . 18622 1 664 . 1 1 56 56 LYS HA H 1 4.5560 0.03 . 1 . . . A 146 LYS HA . 18622 1 665 . 1 1 56 56 LYS HB2 H 1 1.8600 0.03 . 2 . . . A 146 LYS HB2 . 18622 1 666 . 1 1 56 56 LYS HB3 H 1 1.7480 0.03 . 2 . . . A 146 LYS HB3 . 18622 1 667 . 1 1 56 56 LYS HG2 H 1 1.4270 0.03 . 2 . . . A 146 LYS HG2 . 18622 1 668 . 1 1 56 56 LYS HG3 H 1 1.2300 0.03 . 2 . . . A 146 LYS HG3 . 18622 1 669 . 1 1 56 56 LYS HD2 H 1 1.5740 0.03 . 2 . . . A 146 LYS HD2 . 18622 1 670 . 1 1 56 56 LYS HD3 H 1 1.5220 0.03 . 2 . . . A 146 LYS HD3 . 18622 1 671 . 1 1 56 56 LYS HE2 H 1 2.9650 0.03 . 2 . 53676 . A 146 LYS HE2 . 18622 1 672 . 1 1 56 56 LYS C C 13 177.4049 0.09 . 1 . . . A 146 LYS C . 18622 1 673 . 1 1 56 56 LYS CA C 13 55.9055 0.40 . 1 . 14923 . A 146 LYS CA . 18622 1 674 . 1 1 56 56 LYS CB C 13 34.5480 0.40 . 1 . 14929 . A 146 LYS CB . 18622 1 675 . 1 1 56 56 LYS CG C 13 25.1900 0.32 . 1 . . . A 146 LYS CG . 18622 1 676 . 1 1 56 56 LYS CD C 13 28.7270 0.32 . 1 . . . A 146 LYS CD . 18622 1 677 . 1 1 56 56 LYS CE C 13 42.2850 0.32 . 1 . . . A 146 LYS CE . 18622 1 678 . 1 1 56 56 LYS N N 15 121.4241 0.05 . 1 . 15942 . A 146 LYS N . 18622 1 679 . 1 1 57 57 GLY H H 1 7.5363 0.01 . 1 . 15725 . A 147 GLY H . 18622 1 680 . 1 1 57 57 GLY HA2 H 1 4.7070 0.03 . 2 . . . A 147 GLY HA2 . 18622 1 681 . 1 1 57 57 GLY HA3 H 1 4.0170 0.03 . 2 . . . A 147 GLY HA3 . 18622 1 682 . 1 1 57 57 GLY C C 13 174.3558 0.09 . 1 . . . A 147 GLY C . 18622 1 683 . 1 1 57 57 GLY CA C 13 44.6363 0.40 . 1 . 16018 . A 147 GLY CA . 18622 1 684 . 1 1 57 57 GLY N N 15 109.0966 0.05 . 1 . 15726 . A 147 GLY N . 18622 1 685 . 1 1 58 58 MET H H 1 8.5960 0.01 . 1 . 16763 . A 148 MET H . 18622 1 686 . 1 1 58 58 MET HA H 1 4.3100 0.03 . 1 . . . A 148 MET HA . 18622 1 687 . 1 1 58 58 MET HB2 H 1 2.2730 0.03 . 2 . . . A 148 MET HB2 . 18622 1 688 . 1 1 58 58 MET HB3 H 1 2.0250 0.03 . 2 . . . A 148 MET HB3 . 18622 1 689 . 1 1 58 58 MET HG2 H 1 2.8870 0.03 . 2 . . . A 148 MET HG2 . 18622 1 690 . 1 1 58 58 MET HG3 H 1 2.8500 0.03 . 2 . . . A 148 MET HG3 . 18622 1 691 . 1 1 58 58 MET HE1 H 1 2.0790 0.03 . 1 . . . A 148 MET HE1 . 18622 1 692 . 1 1 58 58 MET HE2 H 1 2.0790 0.03 . 1 . . . A 148 MET HE2 . 18622 1 693 . 1 1 58 58 MET HE3 H 1 2.0790 0.03 . 1 . . . A 148 MET HE3 . 18622 1 694 . 1 1 58 58 MET C C 13 178.3138 0.09 . 1 . . . A 148 MET C . 18622 1 695 . 1 1 58 58 MET CA C 13 58.2296 0.40 . 1 . 15046 . A 148 MET CA . 18622 1 696 . 1 1 58 58 MET CB C 13 32.3804 0.40 . 1 . 15052 . A 148 MET CB . 18622 1 697 . 1 1 58 58 MET CG C 13 33.5130 0.32 . 1 . . . A 148 MET CG . 18622 1 698 . 1 1 58 58 MET CE C 13 18.4500 0.32 . 1 . . . A 148 MET CE . 18622 1 699 . 1 1 58 58 MET N N 15 116.6569 0.05 . 1 . 16764 . A 148 MET N . 18622 1 700 . 1 1 59 59 MET H H 1 8.3398 0.01 . 1 . 16565 . A 149 MET H . 18622 1 701 . 1 1 59 59 MET HA H 1 4.3240 0.03 . 1 . . . A 149 MET HA . 18622 1 702 . 1 1 59 59 MET HB2 H 1 2.1200 0.03 . 2 . . . A 149 MET HB2 . 18622 1 703 . 1 1 59 59 MET HB3 H 1 1.9010 0.03 . 2 . . . A 149 MET HB3 . 18622 1 704 . 1 1 59 59 MET HG2 H 1 2.6500 0.03 . 2 . . . A 149 MET HG2 . 18622 1 705 . 1 1 59 59 MET HG3 H 1 2.5910 0.03 . 2 . . . A 149 MET HG3 . 18622 1 706 . 1 1 59 59 MET HE1 H 1 2.0750 0.03 . 1 . . . A 149 MET HE1 . 18622 1 707 . 1 1 59 59 MET HE2 H 1 2.0750 0.03 . 1 . . . A 149 MET HE2 . 18622 1 708 . 1 1 59 59 MET HE3 H 1 2.0750 0.03 . 1 . . . A 149 MET HE3 . 18622 1 709 . 1 1 59 59 MET C C 13 178.4092 0.09 . 1 . . . A 149 MET C . 18622 1 710 . 1 1 59 59 MET CA C 13 59.7372 0.40 . 1 . 15202 . A 149 MET CA . 18622 1 711 . 1 1 59 59 MET CB C 13 32.3395 0.40 . 1 . 15220 . A 149 MET CB . 18622 1 712 . 1 1 59 59 MET CG C 13 31.9980 0.32 . 1 . . . A 149 MET CG . 18622 1 713 . 1 1 59 59 MET CE C 13 16.9700 0.32 . 1 . . . A 149 MET CE . 18622 1 714 . 1 1 59 59 MET N N 15 118.7416 0.05 . 1 . 16566 . A 149 MET N . 18622 1 715 . 1 1 60 60 ALA H H 1 8.0276 0.01 . 1 . 16256 . A 150 ALA H . 18622 1 716 . 1 1 60 60 ALA HA H 1 4.1810 0.03 . 1 . . . A 150 ALA HA . 18622 1 717 . 1 1 60 60 ALA HB1 H 1 1.2550 0.03 . 1 . . . A 150 ALA HB1 . 18622 1 718 . 1 1 60 60 ALA HB2 H 1 1.2550 0.03 . 1 . . . A 150 ALA HB2 . 18622 1 719 . 1 1 60 60 ALA HB3 H 1 1.2550 0.03 . 1 . . . A 150 ALA HB3 . 18622 1 720 . 1 1 60 60 ALA C C 13 182.1162 0.09 . 1 . . . A 150 ALA C . 18622 1 721 . 1 1 60 60 ALA CA C 13 54.6088 0.40 . 1 . 16222 . A 150 ALA CA . 18622 1 722 . 1 1 60 60 ALA CB C 13 18.3355 0.40 . 1 . 15454 . A 150 ALA CB . 18622 1 723 . 1 1 60 60 ALA N N 15 122.0822 0.05 . 1 . 16257 . A 150 ALA N . 18622 1 724 . 1 1 61 61 GLY H H 1 8.3156 0.01 . 1 . 15380 . A 151 GLY H . 18622 1 725 . 1 1 61 61 GLY HA2 H 1 4.3530 0.03 . 2 . . . A 151 GLY HA2 . 18622 1 726 . 1 1 61 61 GLY HA3 H 1 3.5600 0.03 . 2 . . . A 151 GLY HA3 . 18622 1 727 . 1 1 61 61 GLY C C 13 174.9626 0.09 . 1 . . . A 151 GLY C . 18622 1 728 . 1 1 61 61 GLY CA C 13 47.9276 0.40 . 1 . 15928 . A 151 GLY CA . 18622 1 729 . 1 1 61 61 GLY N N 15 108.3960 0.05 . 1 . 15381 . A 151 GLY N . 18622 1 730 . 1 1 62 62 ALA H H 1 8.9842 0.01 . 1 . 16745 . A 152 ALA H . 18622 1 731 . 1 1 62 62 ALA HA H 1 3.8940 0.03 . 1 . . . A 152 ALA HA . 18622 1 732 . 1 1 62 62 ALA HB1 H 1 1.6090 0.03 . 1 . . . A 152 ALA HB1 . 18622 1 733 . 1 1 62 62 ALA HB2 H 1 1.6090 0.03 . 1 . . . A 152 ALA HB2 . 18622 1 734 . 1 1 62 62 ALA HB3 H 1 1.6090 0.03 . 1 . . . A 152 ALA HB3 . 18622 1 735 . 1 1 62 62 ALA C C 13 179.2194 0.09 . 1 . . . A 152 ALA C . 18622 1 736 . 1 1 62 62 ALA CA C 13 55.6266 0.40 . 1 . 16141 . A 152 ALA CA . 18622 1 737 . 1 1 62 62 ALA CB C 13 18.3205 0.40 . 1 . 16159 . A 152 ALA CB . 18622 1 738 . 1 1 62 62 ALA N N 15 126.5257 0.05 . 1 . 16746 . A 152 ALA N . 18622 1 739 . 1 1 63 63 GLU H H 1 8.3009 0.01 . 1 . 16532 . A 153 GLU H . 18622 1 740 . 1 1 63 63 GLU HA H 1 3.7900 0.03 . 1 . . . A 153 GLU HA . 18622 1 741 . 1 1 63 63 GLU HB2 H 1 2.1240 0.03 . 2 . . . A 153 GLU HB2 . 18622 1 742 . 1 1 63 63 GLU HG2 H 1 2.4170 0.03 . 2 . . . A 153 GLU HG2 . 18622 1 743 . 1 1 63 63 GLU HG3 H 1 2.0900 0.03 . 2 . . . A 153 GLU HG3 . 18622 1 744 . 1 1 63 63 GLU C C 13 178.8283 0.09 . 1 . . . A 153 GLU C . 18622 1 745 . 1 1 63 63 GLU CA C 13 60.1945 0.40 . 1 . 16363 . A 153 GLU CA . 18622 1 746 . 1 1 63 63 GLU CB C 13 29.7997 0.40 . 1 . 15268 . A 153 GLU CB . 18622 1 747 . 1 1 63 63 GLU CG C 13 37.4260 0.32 . 1 . . . A 153 GLU CG . 18622 1 748 . 1 1 63 63 GLU N N 15 118.1840 0.05 . 1 . 16533 . A 153 GLU N . 18622 1 749 . 1 1 64 64 LYS H H 1 7.5991 0.01 . 1 . 16559 . A 154 LYS H . 18622 1 750 . 1 1 64 64 LYS HA H 1 4.2150 0.03 . 1 . . . A 154 LYS HA . 18622 1 751 . 1 1 64 64 LYS HB2 H 1 2.0750 0.03 . 2 . . . A 154 LYS HB2 . 18622 1 752 . 1 1 64 64 LYS HB3 H 1 1.8500 0.03 . 2 . . . A 154 LYS HB3 . 18622 1 753 . 1 1 64 64 LYS HG2 H 1 1.2260 0.03 . 2 . . . A 154 LYS HG2 . 18622 1 754 . 1 1 64 64 LYS HD2 H 1 1.7500 0.03 . 2 . . . A 154 LYS HD2 . 18622 1 755 . 1 1 64 64 LYS HD3 H 1 1.5630 0.03 . 2 . . . A 154 LYS HD3 . 18622 1 756 . 1 1 64 64 LYS HE2 H 1 2.7400 0.03 . 2 . 49713 . A 154 LYS HE2 . 18622 1 757 . 1 1 64 64 LYS HE3 H 1 2.5300 0.03 . 2 . . . A 154 LYS HE3 . 18622 1 758 . 1 1 64 64 LYS C C 13 177.8157 0.09 . 1 . . . A 154 LYS C . 18622 1 759 . 1 1 64 64 LYS CA C 13 56.7498 0.40 . 1 . 15625 . A 154 LYS CA . 18622 1 760 . 1 1 64 64 LYS CB C 13 30.2565 0.40 . 1 . 15640 . A 154 LYS CB . 18622 1 761 . 1 1 64 64 LYS CG C 13 24.9880 0.32 . 1 . . . A 154 LYS CG . 18622 1 762 . 1 1 64 64 LYS CD C 13 27.8930 0.32 . 1 . . . A 154 LYS CD . 18622 1 763 . 1 1 64 64 LYS CE C 13 41.9400 0.32 . 1 . . . A 154 LYS CE . 18622 1 764 . 1 1 64 64 LYS N N 15 120.2047 0.05 . 1 . 16560 . A 154 LYS N . 18622 1 765 . 1 1 65 65 LEU H H 1 8.2912 0.01 . 1 . 16595 . A 155 LEU H . 18622 1 766 . 1 1 65 65 LEU HA H 1 3.9060 0.03 . 1 . . . A 155 LEU HA . 18622 1 767 . 1 1 65 65 LEU HB2 H 1 1.3300 0.03 . 2 . . . A 155 LEU HB2 . 18622 1 768 . 1 1 65 65 LEU HB3 H 1 1.8020 0.03 . 2 . . . A 155 LEU HB3 . 18622 1 769 . 1 1 65 65 LEU HG H 1 1.4900 0.03 . 1 . . . A 155 LEU HG . 18622 1 770 . 1 1 65 65 LEU HD11 H 1 0.7820 0.03 . 2 . . . A 155 LEU HD11 . 18622 1 771 . 1 1 65 65 LEU HD12 H 1 0.7820 0.03 . 2 . . . A 155 LEU HD12 . 18622 1 772 . 1 1 65 65 LEU HD13 H 1 0.7820 0.03 . 2 . . . A 155 LEU HD13 . 18622 1 773 . 1 1 65 65 LEU C C 13 177.4104 0.09 . 1 . . . A 155 LEU C . 18622 1 774 . 1 1 65 65 LEU CA C 13 58.5109 0.40 . 1 . 15136 . A 155 LEU CA . 18622 1 775 . 1 1 65 65 LEU CB C 13 41.2711 0.40 . 1 . 16291 . A 155 LEU CB . 18622 1 776 . 1 1 65 65 LEU CG C 13 26.9840 0.32 . 1 . . . A 155 LEU CG . 18622 1 777 . 1 1 65 65 LEU CD1 C 13 26.2720 0.32 . 2 . . . A 155 LEU CD1 . 18622 1 778 . 1 1 65 65 LEU CD2 C 13 23.7310 0.32 . 2 . . . A 155 LEU CD2 . 18622 1 779 . 1 1 65 65 LEU N N 15 121.6215 0.05 . 1 . 16596 . A 155 LEU N . 18622 1 780 . 1 1 66 66 VAL H H 1 7.9141 0.01 . 1 . 16289 . A 156 VAL H . 18622 1 781 . 1 1 66 66 VAL HA H 1 2.8550 0.03 . 1 . . . A 156 VAL HA . 18622 1 782 . 1 1 66 66 VAL HB H 1 2.0080 0.03 . 1 . . . A 156 VAL HB . 18622 1 783 . 1 1 66 66 VAL HG11 H 1 0.5770 0.03 . 2 . . . A 156 VAL HG11 . 18622 1 784 . 1 1 66 66 VAL HG12 H 1 0.5770 0.03 . 2 . . . A 156 VAL HG12 . 18622 1 785 . 1 1 66 66 VAL HG13 H 1 0.5770 0.03 . 2 . . . A 156 VAL HG13 . 18622 1 786 . 1 1 66 66 VAL HG21 H 1 0.2500 0.03 . 2 . . . A 156 VAL HG21 . 18622 1 787 . 1 1 66 66 VAL HG22 H 1 0.2500 0.03 . 2 . . . A 156 VAL HG22 . 18622 1 788 . 1 1 66 66 VAL HG23 H 1 0.2500 0.03 . 2 . . . A 156 VAL HG23 . 18622 1 789 . 1 1 66 66 VAL C C 13 176.4866 0.09 . 1 . . . A 156 VAL C . 18622 1 790 . 1 1 66 66 VAL CA C 13 67.4817 0.40 . 1 . 15490 . A 156 VAL CA . 18622 1 791 . 1 1 66 66 VAL CB C 13 30.7990 0.40 . 1 . 15505 . A 156 VAL CB . 18622 1 792 . 1 1 66 66 VAL CG1 C 13 20.8000 0.32 . 2 . . . A 156 VAL CG1 . 18622 1 793 . 1 1 66 66 VAL CG2 C 13 24.0000 0.32 . 2 . . . A 156 VAL CG2 . 18622 1 794 . 1 1 66 66 VAL N N 15 118.7423 0.05 . 1 . 16290 . A 156 VAL N . 18622 1 795 . 1 1 67 67 GLU H H 1 7.4070 0.01 . 1 . 16379 . A 157 GLU H . 18622 1 796 . 1 1 67 67 GLU HA H 1 3.6930 0.03 . 1 . . . A 157 GLU HA . 18622 1 797 . 1 1 67 67 GLU HB2 H 1 2.1950 0.03 . 2 . . . A 157 GLU HB2 . 18622 1 798 . 1 1 67 67 GLU HG2 H 1 2.3730 0.03 . 2 . . . A 157 GLU HG2 . 18622 1 799 . 1 1 67 67 GLU HG3 H 1 2.0840 0.03 . 2 . . . A 157 GLU HG3 . 18622 1 800 . 1 1 67 67 GLU C C 13 179.3996 0.09 . 1 . . . A 157 GLU C . 18622 1 801 . 1 1 67 67 GLU CA C 13 59.8653 0.40 . 1 . 16327 . A 157 GLU CA . 18622 1 802 . 1 1 67 67 GLU CB C 13 29.5398 0.40 . 1 . 16330 . A 157 GLU CB . 18622 1 803 . 1 1 67 67 GLU CG C 13 36.0040 0.32 . 1 . . . A 157 GLU CG . 18622 1 804 . 1 1 67 67 GLU N N 15 118.4567 0.05 . 1 . 16380 . A 157 GLU N . 18622 1 805 . 1 1 68 68 CYS H H 1 7.9972 0.01 . 1 . 16544 . A 158 CYS H . 18622 1 806 . 1 1 68 68 CYS HA H 1 3.8880 0.03 . 1 . . . A 158 CYS HA . 18622 1 807 . 1 1 68 68 CYS HB2 H 1 2.7740 0.03 . 2 . . . A 158 CYS HB2 . 18622 1 808 . 1 1 68 68 CYS HB3 H 1 2.6800 0.03 . 2 . . . A 158 CYS HB3 . 18622 1 809 . 1 1 68 68 CYS C C 13 177.7356 0.09 . 1 . . . A 158 CYS C . 18622 1 810 . 1 1 68 68 CYS CA C 13 63.2832 0.40 . 1 . 15565 . A 158 CYS CA . 18622 1 811 . 1 1 68 68 CYS CB C 13 27.2352 0.40 . 1 . 15571 . A 158 CYS CB . 18622 1 812 . 1 1 68 68 CYS N N 15 115.8867 0.05 . 1 . 16545 . A 158 CYS N . 18622 1 813 . 1 1 69 69 LEU H H 1 8.0233 0.01 . 1 . 16259 . A 159 LEU H . 18622 1 814 . 1 1 69 69 LEU HA H 1 3.1910 0.03 . 1 . . . A 159 LEU HA . 18622 1 815 . 1 1 69 69 LEU HB2 H 1 1.0650 0.03 . 2 . . . A 159 LEU HB2 . 18622 1 816 . 1 1 69 69 LEU HB3 H 1 -0.5400 0.03 . 2 . . . A 159 LEU HB3 . 18622 1 817 . 1 1 69 69 LEU HG H 1 1.3690 0.03 . 1 . 51666 . A 159 LEU HG . 18622 1 818 . 1 1 69 69 LEU HD11 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD11 . 18622 1 819 . 1 1 69 69 LEU HD12 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD12 . 18622 1 820 . 1 1 69 69 LEU HD13 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD13 . 18622 1 821 . 1 1 69 69 LEU HD21 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD21 . 18622 1 822 . 1 1 69 69 LEU HD22 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD22 . 18622 1 823 . 1 1 69 69 LEU HD23 H 1 0.3440 0.03 . 2 . . . A 159 LEU HD23 . 18622 1 824 . 1 1 69 69 LEU C C 13 178.4733 0.09 . 1 . . . A 159 LEU C . 18622 1 825 . 1 1 69 69 LEU CA C 13 57.3740 0.40 . 1 . 15463 . A 159 LEU CA . 18622 1 826 . 1 1 69 69 LEU CB C 13 39.7320 0.40 . 1 . 15472 . A 159 LEU CB . 18622 1 827 . 1 1 69 69 LEU CG C 13 25.5180 0.32 . 1 . . . A 159 LEU CG . 18622 1 828 . 1 1 69 69 LEU CD1 C 13 25.5180 0.32 . 2 . . . A 159 LEU CD1 . 18622 1 829 . 1 1 69 69 LEU CD2 C 13 25.5180 0.32 . 2 . . . A 159 LEU CD2 . 18622 1 830 . 1 1 69 69 LEU N N 15 121.3915 0.05 . 1 . 16260 . A 159 LEU N . 18622 1 831 . 1 1 70 70 LEU H H 1 8.2198 0.01 . 1 . 16574 . A 160 LEU H . 18622 1 832 . 1 1 70 70 LEU HA H 1 3.7880 0.03 . 1 . . . A 160 LEU HA . 18622 1 833 . 1 1 70 70 LEU HB2 H 1 1.8180 0.03 . 2 . . . A 160 LEU HB2 . 18622 1 834 . 1 1 70 70 LEU HB3 H 1 1.3650 0.03 . 2 . . . A 160 LEU HB3 . 18622 1 835 . 1 1 70 70 LEU HG H 1 1.7960 0.03 . 1 . . . A 160 LEU HG . 18622 1 836 . 1 1 70 70 LEU HD11 H 1 0.9780 0.03 . 2 . . . A 160 LEU HD11 . 18622 1 837 . 1 1 70 70 LEU HD12 H 1 0.9780 0.03 . 2 . . . A 160 LEU HD12 . 18622 1 838 . 1 1 70 70 LEU HD13 H 1 0.9780 0.03 . 2 . . . A 160 LEU HD13 . 18622 1 839 . 1 1 70 70 LEU HD21 H 1 0.7360 0.03 . 2 . . . A 160 LEU HD21 . 18622 1 840 . 1 1 70 70 LEU HD22 H 1 0.7360 0.03 . 2 . . . A 160 LEU HD22 . 18622 1 841 . 1 1 70 70 LEU HD23 H 1 0.7360 0.03 . 2 . . . A 160 LEU HD23 . 18622 1 842 . 1 1 70 70 LEU C C 13 178.2016 0.09 . 1 . . . A 160 LEU C . 18622 1 843 . 1 1 70 70 LEU CA C 13 57.7581 0.40 . 1 . 15292 . A 160 LEU CA . 18622 1 844 . 1 1 70 70 LEU CB C 13 41.5745 0.40 . 1 . 15301 . A 160 LEU CB . 18622 1 845 . 1 1 70 70 LEU CG C 13 26.2370 0.32 . 1 . . . A 160 LEU CG . 18622 1 846 . 1 1 70 70 LEU CD1 C 13 24.6140 0.32 . 2 . . . A 160 LEU CD1 . 18622 1 847 . 1 1 70 70 LEU CD2 C 13 26.2370 0.32 . 2 . . . A 160 LEU CD2 . 18622 1 848 . 1 1 70 70 LEU N N 15 116.9166 0.05 . 1 . 16575 . A 160 LEU N . 18622 1 849 . 1 1 71 71 ARG H H 1 6.9528 0.01 . 1 . 16583 . A 161 ARG H . 18622 1 850 . 1 1 71 71 ARG HA H 1 4.3730 0.03 . 1 . . . A 161 ARG HA . 18622 1 851 . 1 1 71 71 ARG HB2 H 1 1.8280 0.03 . 2 . . . A 161 ARG HB2 . 18622 1 852 . 1 1 71 71 ARG HB3 H 1 1.7620 0.03 . 2 . . . A 161 ARG HB3 . 18622 1 853 . 1 1 71 71 ARG HG2 H 1 1.7220 0.03 . 2 . . . A 161 ARG HG2 . 18622 1 854 . 1 1 71 71 ARG HG3 H 1 1.6870 0.03 . 2 . . . A 161 ARG HG3 . 18622 1 855 . 1 1 71 71 ARG HD2 H 1 3.1400 0.03 . 2 . . . A 161 ARG HD2 . 18622 1 856 . 1 1 71 71 ARG C C 13 176.2882 0.09 . 1 . . . A 161 ARG C . 18622 1 857 . 1 1 71 71 ARG CA C 13 55.6222 0.40 . 1 . 15754 . A 161 ARG CA . 18622 1 858 . 1 1 71 71 ARG CB C 13 31.1741 0.40 . 1 . 16459 . A 161 ARG CB . 18622 1 859 . 1 1 71 71 ARG CG C 13 27.3180 0.32 . 1 . . . A 161 ARG CG . 18622 1 860 . 1 1 71 71 ARG CD C 13 43.5750 0.32 . 1 . . . A 161 ARG CD . 18622 1 861 . 1 1 71 71 ARG N N 15 113.5972 0.05 . 1 . 16584 . A 161 ARG N . 18622 1 862 . 1 1 72 72 SER H H 1 6.9876 0.01 . 1 . 15872 . A 162 SER H . 18622 1 863 . 1 1 72 72 SER HA H 1 4.2160 0.03 . 1 . . . A 162 SER HA . 18622 1 864 . 1 1 72 72 SER HB2 H 1 3.8460 0.03 . 2 . . . A 162 SER HB2 . 18622 1 865 . 1 1 72 72 SER HB3 H 1 3.6940 0.03 . 2 . . . A 162 SER HB3 . 18622 1 866 . 1 1 72 72 SER C C 13 176.2339 0.09 . 1 . . . A 162 SER C . 18622 1 867 . 1 1 72 72 SER CA C 13 59.2428 0.40 . 1 . 15751 . A 162 SER CA . 18622 1 868 . 1 1 72 72 SER CB C 13 63.7152 0.40 . 1 . 15748 . A 162 SER CB . 18622 1 869 . 1 1 72 72 SER N N 15 114.5946 0.05 . 1 . 15873 . A 162 SER N . 18622 1 870 . 1 1 73 73 ASP H H 1 8.7868 0.01 . 1 . 15797 . A 163 ASP H . 18622 1 871 . 1 1 73 73 ASP HA H 1 4.8360 0.03 . 1 . . . A 163 ASP HA . 18622 1 872 . 1 1 73 73 ASP HB2 H 1 2.8800 0.03 . 2 . . . A 163 ASP HB2 . 18622 1 873 . 1 1 73 73 ASP HB3 H 1 2.7430 0.03 . 2 . . . A 163 ASP HB3 . 18622 1 874 . 1 1 73 73 ASP C C 13 176.0718 0.09 . 1 . . . A 163 ASP C . 18622 1 875 . 1 1 73 73 ASP CA C 13 53.1785 0.40 . 1 . 14941 . A 163 ASP CA . 18622 1 876 . 1 1 73 73 ASP CB C 13 41.1248 0.40 . 1 . 15145 . A 163 ASP CB . 18622 1 877 . 1 1 73 73 ASP N N 15 127.3798 0.05 . 1 . 15798 . A 163 ASP N . 18622 1 878 . 1 1 74 74 LYS H H 1 8.4190 0.01 . 1 . 16688 . A 164 LYS H . 18622 1 879 . 1 1 74 74 LYS HA H 1 4.4470 0.03 . 1 . . . A 164 LYS HA . 18622 1 880 . 1 1 74 74 LYS HB2 H 1 2.1240 0.03 . 2 . . . A 164 LYS HB2 . 18622 1 881 . 1 1 74 74 LYS HG2 H 1 1.6500 0.03 . 2 . . . A 164 LYS HG2 . 18622 1 882 . 1 1 74 74 LYS HG3 H 1 1.5810 0.03 . 2 . . . A 164 LYS HG3 . 18622 1 883 . 1 1 74 74 LYS HD2 H 1 1.7620 0.03 . 2 . . . A 164 LYS HD2 . 18622 1 884 . 1 1 74 74 LYS C C 13 176.8074 0.09 . 1 . . . A 164 LYS C . 18622 1 885 . 1 1 74 74 LYS CA C 13 55.6381 0.40 . 1 . 15139 . A 164 LYS CA . 18622 1 886 . 1 1 74 74 LYS CB C 13 31.2760 0.40 . 1 . 15157 . A 164 LYS CB . 18622 1 887 . 1 1 74 74 LYS CG C 13 24.7470 0.32 . 1 . . . A 164 LYS CG . 18622 1 888 . 1 1 74 74 LYS CD C 13 28.6790 0.32 . 1 . . . A 164 LYS CD . 18622 1 889 . 1 1 74 74 LYS N N 15 121.5898 0.05 . 1 . 16689 . A 164 LYS N . 18622 1 890 . 1 1 75 75 GLU H H 1 8.7969 0.01 . 1 . 14966 . A 165 GLU H . 18622 1 891 . 1 1 75 75 GLU HA H 1 3.9790 0.03 . 1 . . . A 165 GLU HA . 18622 1 892 . 1 1 75 75 GLU HB2 H 1 2.0930 0.03 . 2 . . . A 165 GLU HB2 . 18622 1 893 . 1 1 75 75 GLU HB3 H 1 2.0930 0.03 . 2 . . . A 165 GLU HB3 . 18622 1 894 . 1 1 75 75 GLU HG2 H 1 2.3370 0.03 . 2 . . . A 165 GLU HG2 . 18622 1 895 . 1 1 75 75 GLU C C 13 175.2504 0.09 . 1 . . . A 165 GLU C . 18622 1 896 . 1 1 75 75 GLU CA C 13 58.8619 0.40 . 1 . 14965 . A 165 GLU CA . 18622 1 897 . 1 1 75 75 GLU CB C 13 29.6738 0.40 . 1 . 16213 . A 165 GLU CB . 18622 1 898 . 1 1 75 75 GLU CG C 13 36.3600 0.32 . 1 . . . A 165 GLU CG . 18622 1 899 . 1 1 75 75 GLU N N 15 124.0792 0.05 . 1 . 14967 . A 165 GLU N . 18622 1 900 . 1 1 76 76 ASN H H 1 8.2628 0.01 . 1 . 16742 . A 166 ASN H . 18622 1 901 . 1 1 76 76 ASN HA H 1 4.8520 0.03 . 1 . . . A 166 ASN HA . 18622 1 902 . 1 1 76 76 ASN HB2 H 1 2.9460 0.03 . 2 . . . A 166 ASN HB2 . 18622 1 903 . 1 1 76 76 ASN HB3 H 1 2.8070 0.03 . 2 . . . A 166 ASN HB3 . 18622 1 904 . 1 1 76 76 ASN C C 13 177.3701 0.09 . 1 . . . A 166 ASN C . 18622 1 905 . 1 1 76 76 ASN CA C 13 52.3518 0.40 . 1 . 15844 . A 166 ASN CA . 18622 1 906 . 1 1 76 76 ASN CB C 13 38.4760 0.40 . 1 . 15067 . A 166 ASN CB . 18622 1 907 . 1 1 76 76 ASN N N 15 111.9481 0.05 . 1 . 16743 . A 166 ASN N . 18622 1 908 . 1 1 77 77 TRP H H 1 8.2042 0.01 . 1 . 16631 . A 167 TRP H . 18622 1 909 . 1 1 77 77 TRP HA H 1 4.5860 0.03 . 1 . . . A 167 TRP HA . 18622 1 910 . 1 1 77 77 TRP HB2 H 1 3.2790 0.03 . 2 . . . A 167 TRP HB2 . 18622 1 911 . 1 1 77 77 TRP HB3 H 1 3.6310 0.03 . 2 . . . A 167 TRP HB3 . 18622 1 912 . 1 1 77 77 TRP HD1 H 1 7.9747 0.03 . 1 . . . A 167 TRP HD1 . 18622 1 913 . 1 1 77 77 TRP HE1 H 1 10.4592 0.03 . 1 . . . A 167 TRP HE1 . 18622 1 914 . 1 1 77 77 TRP HE3 H 1 7.2800 0.03 . 1 . . . A 167 TRP HE3 . 18622 1 915 . 1 1 77 77 TRP HZ2 H 1 7.2102 0.03 . 1 . . . A 167 TRP HZ2 . 18622 1 916 . 1 1 77 77 TRP HH2 H 1 7.0110 0.03 . 1 . . . A 167 TRP HH2 . 18622 1 917 . 1 1 77 77 TRP CA C 13 62.4874 0.40 . 1 . 15064 . A 167 TRP CA . 18622 1 918 . 1 1 77 77 TRP CB C 13 28.9488 0.40 . 1 . 15070 . A 167 TRP CB . 18622 1 919 . 1 1 77 77 TRP CD1 C 13 130.3896 0.32 . 1 . . . A 167 TRP CD1 . 18622 1 920 . 1 1 77 77 TRP CZ2 C 13 113.5937 0.32 . 1 . . . A 167 TRP CZ2 . 18622 1 921 . 1 1 77 77 TRP N N 15 123.6468 0.05 . 1 . 16632 . A 167 TRP N . 18622 1 922 . 1 1 77 77 TRP NE1 N 15 133.2935 0.05 . 1 . . . A 167 TRP NE1 . 18622 1 923 . 1 1 78 78 PRO HA H 1 4.0470 0.03 . 1 . . . A 168 PRO HA . 18622 1 924 . 1 1 78 78 PRO HB2 H 1 0.9500 0.03 . 2 . . . A 168 PRO HB2 . 18622 1 925 . 1 1 78 78 PRO HB3 H 1 0.8800 0.03 . 2 . . . A 168 PRO HB3 . 18622 1 926 . 1 1 78 78 PRO HG2 H 1 -0.5800 0.03 . 2 . . . A 168 PRO HG2 . 18622 1 927 . 1 1 78 78 PRO HD2 H 1 2.9100 0.03 . 2 . . . A 168 PRO HD2 . 18622 1 928 . 1 1 78 78 PRO HD3 H 1 2.2300 0.03 . 2 . . . A 168 PRO HD3 . 18622 1 929 . 1 1 78 78 PRO C C 13 179.7264 0.09 . 1 . . . A 168 PRO C . 18622 1 930 . 1 1 78 78 PRO CA C 13 66.9186 0.40 . 1 . 16393 . A 168 PRO CA . 18622 1 931 . 1 1 78 78 PRO CB C 13 30.5839 0.40 . 1 . 16405 . A 168 PRO CB . 18622 1 932 . 1 1 78 78 PRO CD C 13 49.6300 0.32 . 1 . . . A 168 PRO CD . 18622 1 933 . 1 1 79 79 LYS H H 1 7.5318 0.01 . 1 . 16517 . A 169 LYS H . 18622 1 934 . 1 1 79 79 LYS HA H 1 4.0170 0.03 . 1 . . . A 169 LYS HA . 18622 1 935 . 1 1 79 79 LYS HB2 H 1 1.8450 0.03 . 2 . . . A 169 LYS HB2 . 18622 1 936 . 1 1 79 79 LYS HG2 H 1 1.3940 0.03 . 2 . . . A 169 LYS HG2 . 18622 1 937 . 1 1 79 79 LYS HD2 H 1 1.6570 0.03 . 2 . . . A 169 LYS HD2 . 18622 1 938 . 1 1 79 79 LYS HE2 H 1 2.9160 0.03 . 2 . . . A 169 LYS HE2 . 18622 1 939 . 1 1 79 79 LYS C C 13 177.8808 0.09 . 1 . . . A 169 LYS C . 18622 1 940 . 1 1 79 79 LYS CA C 13 58.9240 0.40 . 1 . 15004 . A 169 LYS CA . 18622 1 941 . 1 1 79 79 LYS CB C 13 32.3199 0.40 . 1 . 15991 . A 169 LYS CB . 18622 1 942 . 1 1 79 79 LYS CG C 13 25.2080 0.32 . 1 . . . A 169 LYS CG . 18622 1 943 . 1 1 79 79 LYS CD C 13 29.0890 0.32 . 1 . . . A 169 LYS CD . 18622 1 944 . 1 1 79 79 LYS CE C 13 42.2860 0.32 . 1 . . . A 169 LYS CE . 18622 1 945 . 1 1 79 79 LYS N N 15 118.3387 0.05 . 1 . 16518 . A 169 LYS N . 18622 1 946 . 1 1 80 80 THR H H 1 8.4617 0.01 . 1 . 16601 . A 170 THR H . 18622 1 947 . 1 1 80 80 THR HA H 1 3.8770 0.03 . 1 . . . A 170 THR HA . 18622 1 948 . 1 1 80 80 THR HB H 1 4.1900 0.03 . 1 . . . A 170 THR HB . 18622 1 949 . 1 1 80 80 THR HG21 H 1 1.3140 0.03 . 1 . . . A 170 THR HG21 . 18622 1 950 . 1 1 80 80 THR HG22 H 1 1.3140 0.03 . 1 . . . A 170 THR HG22 . 18622 1 951 . 1 1 80 80 THR HG23 H 1 1.3140 0.03 . 1 . . . A 170 THR HG23 . 18622 1 952 . 1 1 80 80 THR C C 13 177.0279 0.09 . 1 . . . A 170 THR C . 18622 1 953 . 1 1 80 80 THR CA C 13 67.2410 0.40 . 1 . . . A 170 THR CA . 18622 1 954 . 1 1 80 80 THR CB C 13 68.1550 0.40 . 1 . 15001 . A 170 THR CB . 18622 1 955 . 1 1 80 80 THR CG2 C 13 22.5450 0.32 . 1 . . . A 170 THR CG2 . 18622 1 956 . 1 1 80 80 THR N N 15 119.4323 0.05 . 1 . 16602 . A 170 THR N . 18622 1 957 . 1 1 81 81 LEU H H 1 9.0804 0.01 . 1 . 16637 . A 171 LEU H . 18622 1 958 . 1 1 81 81 LEU HA H 1 4.0800 0.03 . 1 . . . A 171 LEU HA . 18622 1 959 . 1 1 81 81 LEU HB2 H 1 2.1960 0.03 . 2 . . . A 171 LEU HB2 . 18622 1 960 . 1 1 81 81 LEU HB3 H 1 1.4940 0.03 . 2 . . . A 171 LEU HB3 . 18622 1 961 . 1 1 81 81 LEU HG H 1 1.1840 0.03 . 1 . . . A 171 LEU HG . 18622 1 962 . 1 1 81 81 LEU HD11 H 1 0.1830 0.03 . 2 . . . A 171 LEU HD11 . 18622 1 963 . 1 1 81 81 LEU HD12 H 1 0.1830 0.03 . 2 . . . A 171 LEU HD12 . 18622 1 964 . 1 1 81 81 LEU HD13 H 1 0.1830 0.03 . 2 . . . A 171 LEU HD13 . 18622 1 965 . 1 1 81 81 LEU HD21 H 1 0.7620 0.03 . 2 . . . A 171 LEU HD21 . 18622 1 966 . 1 1 81 81 LEU HD22 H 1 0.7620 0.03 . 2 . . . A 171 LEU HD22 . 18622 1 967 . 1 1 81 81 LEU HD23 H 1 0.7620 0.03 . 2 . . . A 171 LEU HD23 . 18622 1 968 . 1 1 81 81 LEU C C 13 177.2524 0.09 . 1 . . . A 171 LEU C . 18622 1 969 . 1 1 81 81 LEU CA C 13 58.3643 0.40 . 1 . 14920 . A 171 LEU CA . 18622 1 970 . 1 1 81 81 LEU CB C 13 41.6287 0.40 . 1 . 16294 . A 171 LEU CB . 18622 1 971 . 1 1 81 81 LEU CG C 13 27.3120 0.32 . 1 . . . A 171 LEU CG . 18622 1 972 . 1 1 81 81 LEU CD1 C 13 24.6550 0.32 . 2 . . . A 171 LEU CD1 . 18622 1 973 . 1 1 81 81 LEU CD2 C 13 23.2390 0.32 . 2 . . . A 171 LEU CD2 . 18622 1 974 . 1 1 81 81 LEU N N 15 121.5698 0.05 . 1 . 16638 . A 171 LEU N . 18622 1 975 . 1 1 82 82 LYS H H 1 7.7775 0.01 . 1 . 16658 . A 172 LYS H . 18622 1 976 . 1 1 82 82 LYS HA H 1 4.1780 0.03 . 1 . . . A 172 LYS HA . 18622 1 977 . 1 1 82 82 LYS HB2 H 1 2.5270 0.03 . 2 . . . A 172 LYS HB2 . 18622 1 978 . 1 1 82 82 LYS HB3 H 1 2.0740 0.03 . 2 . . . A 172 LYS HB3 . 18622 1 979 . 1 1 82 82 LYS HG2 H 1 1.5190 0.03 . 2 . . . A 172 LYS HG2 . 18622 1 980 . 1 1 82 82 LYS HG3 H 1 1.6100 0.03 . 2 . . . A 172 LYS HG3 . 18622 1 981 . 1 1 82 82 LYS HD2 H 1 1.5780 0.03 . 2 . . . A 172 LYS HD2 . 18622 1 982 . 1 1 82 82 LYS C C 13 177.3907 0.09 . 1 . . . A 172 LYS C . 18622 1 983 . 1 1 82 82 LYS CA C 13 59.2823 0.40 . 1 . 15493 . A 172 LYS CA . 18622 1 984 . 1 1 82 82 LYS CB C 13 32.9051 0.40 . 1 . 16177 . A 172 LYS CB . 18622 1 985 . 1 1 82 82 LYS CG C 13 23.9820 0.32 . 1 . . . A 172 LYS CG . 18622 1 986 . 1 1 82 82 LYS CD C 13 29.0890 0.32 . 1 . . . A 172 LYS CD . 18622 1 987 . 1 1 82 82 LYS N N 15 118.4495 0.05 . 1 . 16659 . A 172 LYS N . 18622 1 988 . 1 1 83 83 LEU H H 1 8.3609 0.01 . 1 . 16652 . A 173 LEU H . 18622 1 989 . 1 1 83 83 LEU HA H 1 4.0760 0.03 . 1 . . . A 173 LEU HA . 18622 1 990 . 1 1 83 83 LEU HB2 H 1 1.9160 0.03 . 2 . . . A 173 LEU HB2 . 18622 1 991 . 1 1 83 83 LEU HB3 H 1 1.6160 0.03 . 2 . . . A 173 LEU HB3 . 18622 1 992 . 1 1 83 83 LEU HG H 1 1.8040 0.03 . 1 . . . A 173 LEU HG . 18622 1 993 . 1 1 83 83 LEU HD11 H 1 0.9280 0.03 . 2 . . . A 173 LEU HD11 . 18622 1 994 . 1 1 83 83 LEU HD12 H 1 0.9280 0.03 . 2 . . . A 173 LEU HD12 . 18622 1 995 . 1 1 83 83 LEU HD13 H 1 0.9280 0.03 . 2 . . . A 173 LEU HD13 . 18622 1 996 . 1 1 83 83 LEU C C 13 179.9340 0.09 . 1 . . . A 173 LEU C . 18622 1 997 . 1 1 83 83 LEU CA C 13 58.3004 0.40 . 1 . 15238 . A 173 LEU CA . 18622 1 998 . 1 1 83 83 LEU CB C 13 41.5540 0.40 . 1 . 15445 . A 173 LEU CB . 18622 1 999 . 1 1 83 83 LEU CG C 13 27.1080 0.32 . 1 . . . A 173 LEU CG . 18622 1 1000 . 1 1 83 83 LEU CD1 C 13 24.9610 0.32 . 2 . . . A 173 LEU CD1 . 18622 1 1001 . 1 1 83 83 LEU CD2 C 13 23.4170 0.32 . 2 . . . A 173 LEU CD2 . 18622 1 1002 . 1 1 83 83 LEU N N 15 117.6530 0.05 . 1 . 16653 . A 173 LEU N . 18622 1 1003 . 1 1 84 84 ALA H H 1 8.0794 0.01 . 1 . 15443 . A 174 ALA H . 18622 1 1004 . 1 1 84 84 ALA HA H 1 4.1450 0.03 . 1 . . . A 174 ALA HA . 18622 1 1005 . 1 1 84 84 ALA HB1 H 1 1.5390 0.03 . 1 . . . A 174 ALA HB1 . 18622 1 1006 . 1 1 84 84 ALA HB2 H 1 1.5390 0.03 . 1 . . . A 174 ALA HB2 . 18622 1 1007 . 1 1 84 84 ALA HB3 H 1 1.5390 0.03 . 1 . . . A 174 ALA HB3 . 18622 1 1008 . 1 1 84 84 ALA C C 13 179.7076 0.09 . 1 . . . A 174 ALA C . 18622 1 1009 . 1 1 84 84 ALA CA C 13 55.2162 0.40 . 1 . 15076 . A 174 ALA CA . 18622 1 1010 . 1 1 84 84 ALA CB C 13 18.9996 0.40 . 1 . 16807 . A 174 ALA CB . 18622 1 1011 . 1 1 84 84 ALA N N 15 122.6734 0.05 . 1 . 15444 . A 174 ALA N . 18622 1 1012 . 1 1 85 85 LEU H H 1 8.3683 0.01 . 1 . 16793 . A 175 LEU H . 18622 1 1013 . 1 1 85 85 LEU HA H 1 3.9630 0.03 . 1 . . . A 175 LEU HA . 18622 1 1014 . 1 1 85 85 LEU HB2 H 1 2.3260 0.03 . 2 . . . A 175 LEU HB2 . 18622 1 1015 . 1 1 85 85 LEU HB3 H 1 1.4500 0.03 . 2 . . . A 175 LEU HB3 . 18622 1 1016 . 1 1 85 85 LEU HG H 1 2.1490 0.03 . 1 . . . A 175 LEU HG . 18622 1 1017 . 1 1 85 85 LEU HD11 H 1 0.8890 0.03 . 2 . . . A 175 LEU HD11 . 18622 1 1018 . 1 1 85 85 LEU HD12 H 1 0.8890 0.03 . 2 . . . A 175 LEU HD12 . 18622 1 1019 . 1 1 85 85 LEU HD13 H 1 0.8890 0.03 . 2 . . . A 175 LEU HD13 . 18622 1 1020 . 1 1 85 85 LEU HD21 H 1 0.7000 0.03 . 2 . . . A 175 LEU HD21 . 18622 1 1021 . 1 1 85 85 LEU HD22 H 1 0.7000 0.03 . 2 . . . A 175 LEU HD22 . 18622 1 1022 . 1 1 85 85 LEU HD23 H 1 0.7000 0.03 . 2 . . . A 175 LEU HD23 . 18622 1 1023 . 1 1 85 85 LEU C C 13 179.5631 0.09 . 1 . . . A 175 LEU C . 18622 1 1024 . 1 1 85 85 LEU CA C 13 57.5250 0.40 . 1 . 16798 . A 175 LEU CA . 18622 1 1025 . 1 1 85 85 LEU CB C 13 42.0650 0.40 . 1 . 16804 . A 175 LEU CB . 18622 1 1026 . 1 1 85 85 LEU CG C 13 26.4920 0.32 . 1 . . . A 175 LEU CG . 18622 1 1027 . 1 1 85 85 LEU CD1 C 13 28.2690 0.32 . 2 . . . A 175 LEU CD1 . 18622 1 1028 . 1 1 85 85 LEU CD2 C 13 22.6640 0.32 . 2 . . . A 175 LEU CD2 . 18622 1 1029 . 1 1 85 85 LEU N N 15 116.5311 0.05 . 1 . 16794 . A 175 LEU N . 18622 1 1030 . 1 1 86 86 GLU H H 1 8.4634 0.01 . 1 . 16010 . A 176 GLU H . 18622 1 1031 . 1 1 86 86 GLU HA H 1 4.1170 0.03 . 1 . . . A 176 GLU HA . 18622 1 1032 . 1 1 86 86 GLU HB2 H 1 2.1990 0.03 . 2 . . . A 176 GLU HB2 . 18622 1 1033 . 1 1 86 86 GLU HB3 H 1 2.3120 0.03 . 2 . . . A 176 GLU HB3 . 18622 1 1034 . 1 1 86 86 GLU HG2 H 1 2.5190 0.03 . 2 . . . A 176 GLU HG2 . 18622 1 1035 . 1 1 86 86 GLU HG3 H 1 2.1120 0.03 . 2 . . . A 176 GLU HG3 . 18622 1 1036 . 1 1 86 86 GLU C C 13 180.3621 0.09 . 1 . . . A 176 GLU C . 18622 1 1037 . 1 1 86 86 GLU CA C 13 58.9463 0.40 . 1 . 15037 . A 176 GLU CA . 18622 1 1038 . 1 1 86 86 GLU CB C 13 30.2353 0.40 . 1 . 16069 . A 176 GLU CB . 18622 1 1039 . 1 1 86 86 GLU CG C 13 37.2030 0.32 . 1 . . . A 176 GLU CG . 18622 1 1040 . 1 1 86 86 GLU N N 15 118.3701 0.05 . 1 . 16011 . A 176 GLU N . 18622 1 1041 . 1 1 87 87 LYS H H 1 8.2264 0.01 . 1 . 15119 . A 177 LYS H . 18622 1 1042 . 1 1 87 87 LYS HA H 1 4.0490 0.03 . 1 . . . A 177 LYS HA . 18622 1 1043 . 1 1 87 87 LYS HB2 H 1 2.0090 0.03 . 2 . . . A 177 LYS HB2 . 18622 1 1044 . 1 1 87 87 LYS HG2 H 1 1.4460 0.03 . 2 . . . A 177 LYS HG2 . 18622 1 1045 . 1 1 87 87 LYS HD2 H 1 1.5920 0.03 . 2 . . . A 177 LYS HD2 . 18622 1 1046 . 1 1 87 87 LYS HE2 H 1 2.9500 0.03 . 2 . . . A 177 LYS HE2 . 18622 1 1047 . 1 1 87 87 LYS HE3 H 1 3.1230 0.03 . 2 . . . A 177 LYS HE3 . 18622 1 1048 . 1 1 87 87 LYS C C 13 178.1406 0.09 . 1 . . . A 177 LYS C . 18622 1 1049 . 1 1 87 87 LYS CA C 13 59.6978 0.40 . 1 . 15109 . A 177 LYS CA . 18622 1 1050 . 1 1 87 87 LYS CB C 13 32.4831 0.40 . 1 . 16423 . A 177 LYS CB . 18622 1 1051 . 1 1 87 87 LYS CG C 13 24.6390 0.32 . 1 . . . A 177 LYS CG . 18622 1 1052 . 1 1 87 87 LYS CD C 13 29.6360 0.32 . 1 . . . A 177 LYS CD . 18622 1 1053 . 1 1 87 87 LYS CE C 13 42.3700 0.32 . 1 . . . A 177 LYS CE . 18622 1 1054 . 1 1 87 87 LYS N N 15 122.2140 0.05 . 1 . 15120 . A 177 LYS N . 18622 1 1055 . 1 1 88 88 GLU H H 1 7.4260 0.01 . 1 . 16421 . A 178 GLU H . 18622 1 1056 . 1 1 88 88 GLU HA H 1 4.3840 0.03 . 1 . . . A 178 GLU HA . 18622 1 1057 . 1 1 88 88 GLU HB2 H 1 2.2940 0.03 . 2 . . . A 178 GLU HB2 . 18622 1 1058 . 1 1 88 88 GLU HB3 H 1 1.8570 0.03 . 2 . . . A 178 GLU HB3 . 18622 1 1059 . 1 1 88 88 GLU HG2 H 1 2.4950 0.03 . 2 . . . A 178 GLU HG2 . 18622 1 1060 . 1 1 88 88 GLU HG3 H 1 2.3930 0.03 . 2 . . . A 178 GLU HG3 . 18622 1 1061 . 1 1 88 88 GLU C C 13 175.4044 0.09 . 1 . . . A 178 GLU C . 18622 1 1062 . 1 1 88 88 GLU CA C 13 55.1014 0.40 . 1 . 16303 . A 178 GLU CA . 18622 1 1063 . 1 1 88 88 GLU CB C 13 29.3324 0.40 . 1 . 15535 . A 178 GLU CB . 18622 1 1064 . 1 1 88 88 GLU CG C 13 35.2880 0.32 . 1 . . . A 178 GLU CG . 18622 1 1065 . 1 1 88 88 GLU N N 15 114.2551 0.05 . 1 . 16422 . A 178 GLU N . 18622 1 1066 . 1 1 89 89 ARG H H 1 7.8961 0.01 . 1 . 16739 . A 179 ARG H . 18622 1 1067 . 1 1 89 89 ARG HA H 1 3.9050 0.03 . 1 . . . A 179 ARG HA . 18622 1 1068 . 1 1 89 89 ARG HB2 H 1 2.0240 0.03 . 2 . . . A 179 ARG HB2 . 18622 1 1069 . 1 1 89 89 ARG HB3 H 1 1.9120 0.03 . 2 . . . A 179 ARG HB3 . 18622 1 1070 . 1 1 89 89 ARG HG2 H 1 1.6090 0.03 . 2 . . . A 179 ARG HG2 . 18622 1 1071 . 1 1 89 89 ARG HD2 H 1 3.2370 0.03 . 2 . . . A 179 ARG HD2 . 18622 1 1072 . 1 1 89 89 ARG C C 13 175.6576 0.09 . 1 . . . A 179 ARG C . 18622 1 1073 . 1 1 89 89 ARG CA C 13 56.7683 0.40 . 1 . 16144 . A 179 ARG CA . 18622 1 1074 . 1 1 89 89 ARG CB C 13 26.8279 0.40 . 1 . 15538 . A 179 ARG CB . 18622 1 1075 . 1 1 89 89 ARG CG C 13 27.1700 0.32 . 1 . . . A 179 ARG CG . 18622 1 1076 . 1 1 89 89 ARG CD C 13 43.5000 0.32 . 1 . . . A 179 ARG CD . 18622 1 1077 . 1 1 89 89 ARG N N 15 118.2635 0.05 . 1 . 16740 . A 179 ARG N . 18622 1 1078 . 1 1 90 90 ASN H H 1 8.2877 0.01 . 1 . 16154 . A 180 ASN H . 18622 1 1079 . 1 1 90 90 ASN HA H 1 4.6630 0.03 . 1 . . . A 180 ASN HA . 18622 1 1080 . 1 1 90 90 ASN HB2 H 1 2.7620 0.03 . 2 . . . A 180 ASN HB2 . 18622 1 1081 . 1 1 90 90 ASN C C 13 178.1684 0.09 . 1 . . . A 180 ASN C . 18622 1 1082 . 1 1 90 90 ASN CA C 13 53.9786 0.40 . 1 . 15247 . A 180 ASN CA . 18622 1 1083 . 1 1 90 90 ASN CB C 13 41.5006 0.40 . 1 . 15256 . A 180 ASN CB . 18622 1 1084 . 1 1 90 90 ASN N N 15 117.6333 0.05 . 1 . 16155 . A 180 ASN N . 18622 1 1085 . 1 1 91 91 LYS H H 1 9.2780 0.01 . 1 . 16787 . A 181 LYS H . 18622 1 1086 . 1 1 91 91 LYS HA H 1 4.1610 0.03 . 1 . . . A 181 LYS HA . 18622 1 1087 . 1 1 91 91 LYS HB2 H 1 1.8560 0.03 . 2 . . . A 181 LYS HB2 . 18622 1 1088 . 1 1 91 91 LYS HG2 H 1 1.5750 0.03 . 2 . . . A 181 LYS HG2 . 18622 1 1089 . 1 1 91 91 LYS HD2 H 1 1.7100 0.03 . 2 . . . A 181 LYS HD2 . 18622 1 1090 . 1 1 91 91 LYS HE2 H 1 3.0130 0.03 . 2 . . . A 181 LYS HE2 . 18622 1 1091 . 1 1 91 91 LYS C C 13 178.3313 0.09 . 1 . . . A 181 LYS C . 18622 1 1092 . 1 1 91 91 LYS CA C 13 58.6858 0.40 . 1 . 15916 . A 181 LYS CA . 18622 1 1093 . 1 1 91 91 LYS CB C 13 32.3632 0.40 . 1 . 15919 . A 181 LYS CB . 18622 1 1094 . 1 1 91 91 LYS CG C 13 25.3390 0.32 . 1 . . . A 181 LYS CG . 18622 1 1095 . 1 1 91 91 LYS CD C 13 28.6790 0.32 . 1 . . . A 181 LYS CD . 18622 1 1096 . 1 1 91 91 LYS CE C 13 42.1650 0.32 . 1 . . . A 181 LYS CE . 18622 1 1097 . 1 1 91 91 LYS N N 15 129.4110 0.05 . 1 . 16788 . A 181 LYS N . 18622 1 1098 . 1 1 92 92 PHE H H 1 9.7527 0.01 . 1 . 16547 . A 182 PHE H . 18622 1 1099 . 1 1 92 92 PHE HA H 1 4.1010 0.03 . 1 . . . A 182 PHE HA . 18622 1 1100 . 1 1 92 92 PHE HB2 H 1 2.8580 0.03 . 2 . . . A 182 PHE HB2 . 18622 1 1101 . 1 1 92 92 PHE HB3 H 1 2.7170 0.03 . 2 . . . A 182 PHE HB3 . 18622 1 1102 . 1 1 92 92 PHE HD1 H 1 7.0191 0.03 . 3 . . . A 182 PHE HD1 . 18622 1 1103 . 1 1 92 92 PHE HE1 H 1 7.2620 0.03 . 3 . . . A 182 PHE HE1 . 18622 1 1104 . 1 1 92 92 PHE C C 13 176.5627 0.09 . 1 . . . A 182 PHE C . 18622 1 1105 . 1 1 92 92 PHE CA C 13 61.0499 0.40 . 1 . 14872 . A 182 PHE CA . 18622 1 1106 . 1 1 92 92 PHE CB C 13 39.6671 0.40 . 1 . 16219 . A 182 PHE CB . 18622 1 1107 . 1 1 92 92 PHE CD1 C 13 132.3857 0.32 . 3 . . . A 182 PHE CD1 . 18622 1 1108 . 1 1 92 92 PHE CE1 C 13 130.6090 0.32 . 3 . . . A 182 PHE CE1 . 18622 1 1109 . 1 1 92 92 PHE N N 15 121.7112 0.05 . 1 . 16548 . A 182 PHE N . 18622 1 1110 . 1 1 93 93 SER H H 1 8.3564 0.01 . 1 . 15377 . A 183 SER H . 18622 1 1111 . 1 1 93 93 SER HA H 1 4.0000 0.03 . 1 . . . A 183 SER HA . 18622 1 1112 . 1 1 93 93 SER HB2 H 1 4.0000 0.03 . 2 . . . A 183 SER HB2 . 18622 1 1113 . 1 1 93 93 SER C C 13 176.5207 0.09 . 1 . . . A 183 SER C . 18622 1 1114 . 1 1 93 93 SER CA C 13 61.8757 0.40 . 1 . 15868 . A 183 SER CA . 18622 1 1115 . 1 1 93 93 SER CB C 13 63.6531 0.40 . 1 . 16414 . A 183 SER CB . 18622 1 1116 . 1 1 93 93 SER N N 15 110.6228 0.05 . 1 . 15378 . A 183 SER N . 18622 1 1117 . 1 1 94 94 GLU H H 1 7.4080 0.01 . 1 . 16412 . A 184 GLU H . 18622 1 1118 . 1 1 94 94 GLU HA H 1 3.9570 0.03 . 1 . . . A 184 GLU HA . 18622 1 1119 . 1 1 94 94 GLU HB2 H 1 1.9900 0.03 . 2 . . . A 184 GLU HB2 . 18622 1 1120 . 1 1 94 94 GLU HG2 H 1 2.3000 0.03 . 2 . . . A 184 GLU HG2 . 18622 1 1121 . 1 1 94 94 GLU C C 13 177.2179 0.09 . 1 . . . A 184 GLU C . 18622 1 1122 . 1 1 94 94 GLU CA C 13 58.4471 0.40 . 1 . 15862 . A 184 GLU CA . 18622 1 1123 . 1 1 94 94 GLU CB C 13 29.6216 0.40 . 1 . 15697 . A 184 GLU CB . 18622 1 1124 . 1 1 94 94 GLU CG C 13 36.1180 0.32 . 1 . . . A 184 GLU CG . 18622 1 1125 . 1 1 94 94 GLU N N 15 114.7274 0.05 . 1 . 16413 . A 184 GLU N . 18622 1 1126 . 1 1 95 95 LEU H H 1 7.2088 0.01 . 1 . 16448 . A 185 LEU H . 18622 1 1127 . 1 1 95 95 LEU HA H 1 4.2040 0.03 . 1 . . . A 185 LEU HA . 18622 1 1128 . 1 1 95 95 LEU HB2 H 1 1.4500 0.03 . 2 . . . A 185 LEU HB2 . 18622 1 1129 . 1 1 95 95 LEU HB3 H 1 1.1070 0.03 . 2 . . . A 185 LEU HB3 . 18622 1 1130 . 1 1 95 95 LEU HG H 1 1.4610 0.03 . 1 . . . A 185 LEU HG . 18622 1 1131 . 1 1 95 95 LEU HD11 H 1 0.8190 0.03 . 2 . 49998 . A 185 LEU HD11 . 18622 1 1132 . 1 1 95 95 LEU HD12 H 1 0.8190 0.03 . 2 . 49998 . A 185 LEU HD12 . 18622 1 1133 . 1 1 95 95 LEU HD13 H 1 0.8190 0.03 . 2 . 49998 . A 185 LEU HD13 . 18622 1 1134 . 1 1 95 95 LEU HD21 H 1 0.7730 0.03 . 2 . 54588 . A 185 LEU HD21 . 18622 1 1135 . 1 1 95 95 LEU HD22 H 1 0.7730 0.03 . 2 . 54588 . A 185 LEU HD22 . 18622 1 1136 . 1 1 95 95 LEU HD23 H 1 0.7730 0.03 . 2 . 54588 . A 185 LEU HD23 . 18622 1 1137 . 1 1 95 95 LEU C C 13 175.9499 0.09 . 1 . . . A 185 LEU C . 18622 1 1138 . 1 1 95 95 LEU CA C 13 54.2990 0.40 . 1 . 15742 . A 185 LEU CA . 18622 1 1139 . 1 1 95 95 LEU CB C 13 42.4223 0.40 . 1 . 15745 . A 185 LEU CB . 18622 1 1140 . 1 1 95 95 LEU CG C 13 27.2480 0.32 . 1 . . . A 185 LEU CG . 18622 1 1141 . 1 1 95 95 LEU CD1 C 13 25.6540 0.32 . 2 . . . A 185 LEU CD1 . 18622 1 1142 . 1 1 95 95 LEU CD2 C 13 22.3760 0.32 . 2 . . . A 185 LEU CD2 . 18622 1 1143 . 1 1 95 95 LEU N N 15 115.2912 0.05 . 1 . 16449 . A 185 LEU N . 18622 1 1144 . 1 1 96 96 TRP H H 1 7.2985 0.01 . 1 . 16439 . A 186 TRP H . 18622 1 1145 . 1 1 96 96 TRP HA H 1 4.6820 0.03 . 1 . . . A 186 TRP HA . 18622 1 1146 . 1 1 96 96 TRP HB2 H 1 3.2700 0.03 . 2 . . . A 186 TRP HB2 . 18622 1 1147 . 1 1 96 96 TRP HB3 H 1 2.7260 0.03 . 2 . . . A 186 TRP HB3 . 18622 1 1148 . 1 1 96 96 TRP HD1 H 1 6.8383 0.03 . 1 . . . A 186 TRP HD1 . 18622 1 1149 . 1 1 96 96 TRP HE1 H 1 9.9236 0.03 . 1 . . . A 186 TRP HE1 . 18622 1 1150 . 1 1 96 96 TRP HE3 H 1 7.3220 0.03 . 1 . . . A 186 TRP HE3 . 18622 1 1151 . 1 1 96 96 TRP HZ2 H 1 7.0200 0.03 . 1 . . . A 186 TRP HZ2 . 18622 1 1152 . 1 1 96 96 TRP HZ3 H 1 7.2058 0.03 . 1 . . . A 186 TRP HZ3 . 18622 1 1153 . 1 1 96 96 TRP HH2 H 1 7.8330 0.03 . 1 . . . A 186 TRP HH2 . 18622 1 1154 . 1 1 96 96 TRP C C 13 172.6184 0.09 . 1 . . . A 186 TRP C . 18622 1 1155 . 1 1 96 96 TRP CA C 13 54.5969 0.40 . 1 . 15730 . A 186 TRP CA . 18622 1 1156 . 1 1 96 96 TRP CB C 13 29.8756 0.40 . 1 . 15733 . A 186 TRP CB . 18622 1 1157 . 1 1 96 96 TRP CD1 C 13 125.2022 0.32 . 1 . . . A 186 TRP CD1 . 18622 1 1158 . 1 1 96 96 TRP CZ2 C 13 114.7253 0.32 . 1 . . . A 186 TRP CZ2 . 18622 1 1159 . 1 1 96 96 TRP CZ3 C 13 123.7979 0.32 . 1 . . . A 186 TRP CZ3 . 18622 1 1160 . 1 1 96 96 TRP CH2 C 13 125.0500 0.32 . 1 . . . A 186 TRP CH2 . 18622 1 1161 . 1 1 96 96 TRP N N 15 121.7788 0.05 . 1 . 16440 . A 186 TRP N . 18622 1 1162 . 1 1 96 96 TRP NE1 N 15 125.9624 0.05 . 1 . . . A 186 TRP NE1 . 18622 1 1163 . 1 1 97 97 ILE H H 1 6.6451 0.01 . 1 . 16481 . A 187 ILE H . 18622 1 1164 . 1 1 97 97 ILE HA H 1 3.9810 0.03 . 1 . . . A 187 ILE HA . 18622 1 1165 . 1 1 97 97 ILE HB H 1 1.6250 0.03 . 1 . . . A 187 ILE HB . 18622 1 1166 . 1 1 97 97 ILE HG12 H 1 1.2300 0.03 . 2 . 53895 . A 187 ILE HG12 . 18622 1 1167 . 1 1 97 97 ILE HG13 H 1 1.0400 0.03 . 2 . . . A 187 ILE HG13 . 18622 1 1168 . 1 1 97 97 ILE HG21 H 1 0.7120 0.03 . 1 . . . A 187 ILE HG21 . 18622 1 1169 . 1 1 97 97 ILE HG22 H 1 0.7120 0.03 . 1 . . . A 187 ILE HG22 . 18622 1 1170 . 1 1 97 97 ILE HG23 H 1 0.7120 0.03 . 1 . . . A 187 ILE HG23 . 18622 1 1171 . 1 1 97 97 ILE HD11 H 1 0.6800 0.03 . 1 . . . A 187 ILE HD11 . 18622 1 1172 . 1 1 97 97 ILE HD12 H 1 0.6800 0.03 . 1 . . . A 187 ILE HD12 . 18622 1 1173 . 1 1 97 97 ILE HD13 H 1 0.6800 0.03 . 1 . . . A 187 ILE HD13 . 18622 1 1174 . 1 1 97 97 ILE C C 13 174.7441 0.09 . 1 . . . A 187 ILE C . 18622 1 1175 . 1 1 97 97 ILE CA C 13 59.9608 0.40 . 1 . 15832 . A 187 ILE CA . 18622 1 1176 . 1 1 97 97 ILE CB C 13 37.5890 0.40 . 1 . 15790 . A 187 ILE CB . 18622 1 1177 . 1 1 97 97 ILE CG1 C 13 27.1000 0.32 . 1 . . . A 187 ILE CG1 . 18622 1 1178 . 1 1 97 97 ILE CG2 C 13 17.4040 0.32 . 1 . . . A 187 ILE CG2 . 18622 1 1179 . 1 1 97 97 ILE CD1 C 13 11.6680 0.32 . 1 . . . A 187 ILE CD1 . 18622 1 1180 . 1 1 97 97 ILE N N 15 125.9926 0.05 . 1 . 16482 . A 187 ILE N . 18622 1 1181 . 1 1 98 98 VAL H H 1 7.8608 0.01 . 1 . 16751 . A 188 VAL H . 18622 1 1182 . 1 1 98 98 VAL HA H 1 4.2090 0.03 . 1 . . . A 188 VAL HA . 18622 1 1183 . 1 1 98 98 VAL HB H 1 1.6730 0.03 . 1 . . . A 188 VAL HB . 18622 1 1184 . 1 1 98 98 VAL HG11 H 1 0.3260 0.03 . 2 . . . A 188 VAL HG11 . 18622 1 1185 . 1 1 98 98 VAL HG12 H 1 0.3260 0.03 . 2 . . . A 188 VAL HG12 . 18622 1 1186 . 1 1 98 98 VAL HG13 H 1 0.3260 0.03 . 2 . . . A 188 VAL HG13 . 18622 1 1187 . 1 1 98 98 VAL HG21 H 1 0.3090 0.03 . 2 . . . A 188 VAL HG21 . 18622 1 1188 . 1 1 98 98 VAL HG22 H 1 0.3090 0.03 . 2 . . . A 188 VAL HG22 . 18622 1 1189 . 1 1 98 98 VAL HG23 H 1 0.3090 0.03 . 2 . . . A 188 VAL HG23 . 18622 1 1190 . 1 1 98 98 VAL C C 13 175.2602 0.09 . 1 . . . A 188 VAL C . 18622 1 1191 . 1 1 98 98 VAL CA C 13 60.2012 0.40 . 1 . 15433 . A 188 VAL CA . 18622 1 1192 . 1 1 98 98 VAL CB C 13 33.7034 0.40 . 1 . 15439 . A 188 VAL CB . 18622 1 1193 . 1 1 98 98 VAL CG1 C 13 20.8360 0.32 . 2 . . . A 188 VAL CG1 . 18622 1 1194 . 1 1 98 98 VAL CG2 C 13 20.1420 0.32 . 2 . . . A 188 VAL CG2 . 18622 1 1195 . 1 1 98 98 VAL N N 15 123.3690 0.05 . 1 . 16752 . A 188 VAL N . 18622 1 1196 . 1 1 99 99 GLU H H 1 7.9349 0.01 . 1 . 16727 . A 189 GLU H . 18622 1 1197 . 1 1 99 99 GLU HA H 1 4.2250 0.03 . 1 . . . A 189 GLU HA . 18622 1 1198 . 1 1 99 99 GLU HB2 H 1 1.9920 0.03 . 2 . . . A 189 GLU HB2 . 18622 1 1199 . 1 1 99 99 GLU HB3 H 1 1.8470 0.03 . 2 . . . A 189 GLU HB3 . 18622 1 1200 . 1 1 99 99 GLU HG2 H 1 2.1810 0.03 . 2 . . . A 189 GLU HG2 . 18622 1 1201 . 1 1 99 99 GLU C C 13 175.1367 0.09 . 1 . . . A 189 GLU C . 18622 1 1202 . 1 1 99 99 GLU CA C 13 56.5792 0.40 . 1 . 15403 . A 189 GLU CA . 18622 1 1203 . 1 1 99 99 GLU CB C 13 30.5884 0.40 . 1 . 15418 . A 189 GLU CB . 18622 1 1204 . 1 1 99 99 GLU CG C 13 36.1980 0.32 . 1 . . . A 189 GLU CG . 18622 1 1205 . 1 1 99 99 GLU N N 15 124.5758 0.05 . 1 . 16728 . A 189 GLU N . 18622 1 1206 . 1 1 100 100 LYS H H 1 7.9287 0.01 . 1 . 16748 . A 190 LYS H . 18622 1 1207 . 1 1 100 100 LYS HA H 1 4.2620 0.03 . 1 . 56346 . A 190 LYS HA . 18622 1 1208 . 1 1 100 100 LYS HB2 H 1 1.6950 0.03 . 2 . 53838 . A 190 LYS HB2 . 18622 1 1209 . 1 1 100 100 LYS HB3 H 1 1.6520 0.03 . 2 . 53775 . A 190 LYS HB3 . 18622 1 1210 . 1 1 100 100 LYS HG2 H 1 1.3230 0.03 . 2 . . . A 190 LYS HG2 . 18622 1 1211 . 1 1 100 100 LYS HE2 H 1 2.9460 0.03 . 2 . 53679 . A 190 LYS HE2 . 18622 1 1212 . 1 1 100 100 LYS CA C 13 58.1788 0.40 . 1 . 15397 . A 190 LYS CA . 18622 1 1213 . 1 1 100 100 LYS CB C 13 33.4984 0.40 . 1 . 15415 . A 190 LYS CB . 18622 1 1214 . 1 1 100 100 LYS CE C 13 41.9000 0.32 . 1 . . . A 190 LYS CE . 18622 1 1215 . 1 1 100 100 LYS N N 15 127.1390 0.05 . 1 . 16749 . A 190 LYS N . 18622 1 stop_ save_