data_18623 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18623 _Entry.Title ; Solution structure of mutant (T170E) 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 . . . 18623 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' . 18623 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 18623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 431 18623 '15N chemical shifts' 96 18623 '1H chemical shifts' 679 18623 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' 18623 1 . . 2012-10-19 2012-07-27 original author 'original release' 18623 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18622 'Solution structure of second CARD of human RIG-I.' 18623 PDB 2LWE 'BMRB Entry Tracking System' 18623 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18623 _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 . . . 18623 1 2 Kaushik Dutta . . . 18623 1 3 Estanislao Nistal-Villan . . . 18623 1 4 Jenish Patel . R. . 18623 1 5 Maria Sanchez-Aparicio . T. . 18623 1 6 Pablo 'De Ioannes' . . . 18623 1 7 Angeliki Buku . . . 18623 1 8 'Gloria Gonzalez' Aseguinolaza . . . 18623 1 9 Adolfo Garcia-Sastre . . . 18623 1 10 Aneel Aggarwal . K. . 18623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18623 _Assembly.ID 1 _Assembly.Name 'mutant (T170E) 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 'mutant (T170E) second CARD of human RIG-I' 1 $card2_mutant A . yes native no no . . . 18623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_card2_mutant _Entity.Sf_category entity _Entity.Sf_framecode card2_mutant _Entity.Entry_ID 18623 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'mutant (T170E) 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 GAEKLVECLLRSDKENWPKE 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 11397.522 _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 18622 . "second CARD of human RIG-I" . . . . . 100.00 100 99.00 99.00 7.60e-62 . . . . 18623 1 2 no PDB 2LWD . "Solution Structure Of Second Card Of Human Rig-I" . . . . . 100.00 100 99.00 99.00 7.60e-62 . . . . 18623 1 3 no PDB 2LWE . "Solution Structure Of Mutant (T170e) Second Card Of Human Rig-I" . . . . . 100.00 100 100.00 100.00 1.76e-62 . . . . 18623 1 4 no PDB 4NQK . "Structure Of An Ubiquitin Complex" . . . . . 97.00 203 97.94 97.94 2.53e-57 . . . . 18623 1 5 no PDB 4P4H . "Caught-in-action Signaling Complex Of Rig-i 2card Domain And Mavs Card Domain" . . . . . 97.00 205 97.94 97.94 1.94e-57 . . . . 18623 1 6 no DBJ BAG11006 . "ATP-dependent RNA helicase DDX58 [synthetic construct]" . . . . . 97.00 925 97.94 97.94 1.72e-53 . . . . 18623 1 7 no DBJ BAG54273 . "unnamed protein product [Homo sapiens]" . . . . . 97.00 854 97.94 97.94 1.58e-53 . . . . 18623 1 8 no EMBL CAI46068 . "hypothetical protein [Homo sapiens]" . . . . . 97.00 703 97.94 97.94 3.72e-54 . . . . 18623 1 9 no GB AAD19826 . "RNA helicase [Homo sapiens]" . . . . . 97.00 925 97.94 97.94 1.96e-53 . . . . 18623 1 10 no GB AAI07732 . "DDX58 protein, partial [Homo sapiens]" . . . . . 97.00 251 97.94 97.94 7.60e-57 . . . . 18623 1 11 no GB AAI32787 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" . . . . . 97.00 925 97.94 97.94 1.72e-53 . . . . 18623 1 12 no GB AAI36611 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58 [Homo sapiens]" . . . . . 97.00 925 97.94 97.94 1.72e-53 . . . . 18623 1 13 no GB EAW58547 . "DEAD (Asp-Glu-Ala-Asp) box polypeptide 58, isoform CRA_a, partial [Homo sapiens]" . . . . . 97.00 703 97.94 97.94 3.54e-54 . . . . 18623 1 14 no REF NP_055129 . "probable ATP-dependent RNA helicase DDX58 [Homo sapiens]" . . . . . 97.00 925 97.94 97.94 1.72e-53 . . . . 18623 1 15 no REF XP_001156662 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Pan troglodytes]" . . . . . 97.00 925 97.94 97.94 1.72e-53 . . . . 18623 1 16 no REF XP_002819761 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pongo abelii]" . . . . . 97.00 925 97.94 97.94 2.31e-53 . . . . 18623 1 17 no REF XP_003830148 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 isoform X1 [Pan paniscus]" . . . . . 97.00 925 97.94 97.94 1.64e-53 . . . . 18623 1 18 no REF XP_004047964 . "PREDICTED: probable ATP-dependent RNA helicase DDX58 [Gorilla gorilla gorilla]" . . . . . 97.00 890 97.94 97.94 1.18e-53 . . . . 18623 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 97.94 97.94 1.72e-53 . . . . 18623 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 . 18623 1 2 92 SER . 18623 1 3 93 HIS . 18623 1 4 94 MET . 18623 1 5 95 LYS . 18623 1 6 96 LYS . 18623 1 7 97 ILE . 18623 1 8 98 GLU . 18623 1 9 99 LYS . 18623 1 10 100 LEU . 18623 1 11 101 GLU . 18623 1 12 102 GLU . 18623 1 13 103 TYR . 18623 1 14 104 ARG . 18623 1 15 105 LEU . 18623 1 16 106 LEU . 18623 1 17 107 LEU . 18623 1 18 108 LYS . 18623 1 19 109 ARG . 18623 1 20 110 LEU . 18623 1 21 111 GLN . 18623 1 22 112 PRO . 18623 1 23 113 GLU . 18623 1 24 114 PHE . 18623 1 25 115 LYS . 18623 1 26 116 THR . 18623 1 27 117 ARG . 18623 1 28 118 ILE . 18623 1 29 119 ILE . 18623 1 30 120 PRO . 18623 1 31 121 THR . 18623 1 32 122 ASP . 18623 1 33 123 ILE . 18623 1 34 124 ILE . 18623 1 35 125 SER . 18623 1 36 126 ASP . 18623 1 37 127 LEU . 18623 1 38 128 SER . 18623 1 39 129 GLU . 18623 1 40 130 CYS . 18623 1 41 131 LEU . 18623 1 42 132 ILE . 18623 1 43 133 ASN . 18623 1 44 134 GLN . 18623 1 45 135 GLU . 18623 1 46 136 CYS . 18623 1 47 137 GLU . 18623 1 48 138 GLU . 18623 1 49 139 ILE . 18623 1 50 140 LEU . 18623 1 51 141 GLN . 18623 1 52 142 ILE . 18623 1 53 143 CYS . 18623 1 54 144 SER . 18623 1 55 145 THR . 18623 1 56 146 LYS . 18623 1 57 147 GLY . 18623 1 58 148 MET . 18623 1 59 149 MET . 18623 1 60 150 ALA . 18623 1 61 151 GLY . 18623 1 62 152 ALA . 18623 1 63 153 GLU . 18623 1 64 154 LYS . 18623 1 65 155 LEU . 18623 1 66 156 VAL . 18623 1 67 157 GLU . 18623 1 68 158 CYS . 18623 1 69 159 LEU . 18623 1 70 160 LEU . 18623 1 71 161 ARG . 18623 1 72 162 SER . 18623 1 73 163 ASP . 18623 1 74 164 LYS . 18623 1 75 165 GLU . 18623 1 76 166 ASN . 18623 1 77 167 TRP . 18623 1 78 168 PRO . 18623 1 79 169 LYS . 18623 1 80 170 GLU . 18623 1 81 171 LEU . 18623 1 82 172 LYS . 18623 1 83 173 LEU . 18623 1 84 174 ALA . 18623 1 85 175 LEU . 18623 1 86 176 GLU . 18623 1 87 177 LYS . 18623 1 88 178 GLU . 18623 1 89 179 ARG . 18623 1 90 180 ASN . 18623 1 91 181 LYS . 18623 1 92 182 PHE . 18623 1 93 183 SER . 18623 1 94 184 GLU . 18623 1 95 185 LEU . 18623 1 96 186 TRP . 18623 1 97 187 ILE . 18623 1 98 188 VAL . 18623 1 99 189 GLU . 18623 1 100 190 LYS . 18623 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 18623 1 . SER 2 2 18623 1 . HIS 3 3 18623 1 . MET 4 4 18623 1 . LYS 5 5 18623 1 . LYS 6 6 18623 1 . ILE 7 7 18623 1 . GLU 8 8 18623 1 . LYS 9 9 18623 1 . LEU 10 10 18623 1 . GLU 11 11 18623 1 . GLU 12 12 18623 1 . TYR 13 13 18623 1 . ARG 14 14 18623 1 . LEU 15 15 18623 1 . LEU 16 16 18623 1 . LEU 17 17 18623 1 . LYS 18 18 18623 1 . ARG 19 19 18623 1 . LEU 20 20 18623 1 . GLN 21 21 18623 1 . PRO 22 22 18623 1 . GLU 23 23 18623 1 . PHE 24 24 18623 1 . LYS 25 25 18623 1 . THR 26 26 18623 1 . ARG 27 27 18623 1 . ILE 28 28 18623 1 . ILE 29 29 18623 1 . PRO 30 30 18623 1 . THR 31 31 18623 1 . ASP 32 32 18623 1 . ILE 33 33 18623 1 . ILE 34 34 18623 1 . SER 35 35 18623 1 . ASP 36 36 18623 1 . LEU 37 37 18623 1 . SER 38 38 18623 1 . GLU 39 39 18623 1 . CYS 40 40 18623 1 . LEU 41 41 18623 1 . ILE 42 42 18623 1 . ASN 43 43 18623 1 . GLN 44 44 18623 1 . GLU 45 45 18623 1 . CYS 46 46 18623 1 . GLU 47 47 18623 1 . GLU 48 48 18623 1 . ILE 49 49 18623 1 . LEU 50 50 18623 1 . GLN 51 51 18623 1 . ILE 52 52 18623 1 . CYS 53 53 18623 1 . SER 54 54 18623 1 . THR 55 55 18623 1 . LYS 56 56 18623 1 . GLY 57 57 18623 1 . MET 58 58 18623 1 . MET 59 59 18623 1 . ALA 60 60 18623 1 . GLY 61 61 18623 1 . ALA 62 62 18623 1 . GLU 63 63 18623 1 . LYS 64 64 18623 1 . LEU 65 65 18623 1 . VAL 66 66 18623 1 . GLU 67 67 18623 1 . CYS 68 68 18623 1 . LEU 69 69 18623 1 . LEU 70 70 18623 1 . ARG 71 71 18623 1 . SER 72 72 18623 1 . ASP 73 73 18623 1 . LYS 74 74 18623 1 . GLU 75 75 18623 1 . ASN 76 76 18623 1 . TRP 77 77 18623 1 . PRO 78 78 18623 1 . LYS 79 79 18623 1 . GLU 80 80 18623 1 . LEU 81 81 18623 1 . LYS 82 82 18623 1 . LEU 83 83 18623 1 . ALA 84 84 18623 1 . LEU 85 85 18623 1 . GLU 86 86 18623 1 . LYS 87 87 18623 1 . GLU 88 88 18623 1 . ARG 89 89 18623 1 . ASN 90 90 18623 1 . LYS 91 91 18623 1 . PHE 92 92 18623 1 . SER 93 93 18623 1 . GLU 94 94 18623 1 . LEU 95 95 18623 1 . TRP 96 96 18623 1 . ILE 97 97 18623 1 . VAL 98 98 18623 1 . GLU 99 99 18623 1 . LYS 100 100 18623 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 18623 _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_mutant . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18623 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 18623 _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_mutant . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 18623 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18623 _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_mutant '[U-100% 15N]' . . 1 $card2_mutant . . 300 . . uM . . . . 18623 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18623 1 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18623 1 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18623 1 5 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18623 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18623 _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_mutant '[U-100% 13C; U-100% 15N]' . . 1 $card2_mutant . . 300 . . uM . . . . 18623 2 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18623 2 3 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18623 2 4 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18623 2 5 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18623 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 18623 _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_mutant '[U-100% 13C; U-100% 15N]' . . 1 $card2_mutant . . 300 . . uM . . . . 18623 3 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 18623 3 3 Bis-Tris 'natural abundance' . . . . . . 50 . . mM . . . . 18623 3 4 'sodium chloride' 'natural abundance' . . . . . . 250 . . mM . . . . 18623 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 18623 _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 18623 1 pH 7.5 . pH 18623 1 pressure 1 . atm 18623 1 temperature 273 . K 18623 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18623 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger A. T. et.al.' . . 18623 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18623 1 'structure solution' 18623 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18623 _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' . . 18623 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18623 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18623 _Software.ID 3 _Software.Name ARIA _Software.Version 2.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18623 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18623 3 'chemical shift calculation' 18623 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 18623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 18623 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details CryoProbe _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 18623 _NMR_spectrometer.ID 3 _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 18623 _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 . 900 CryoProbe . . 18623 1 2 spectrometer_2 Bruker Avance . 800 CryoProbe . . 18623 1 3 spectrometer_3 Bruker Avance . 700 CryoProbe . . 18623 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 18623 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 2 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 6 '3D C(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 7 '3D H(CCO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18623 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18623 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18623 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 18623 _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 . . . . . . . . . 18623 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18623 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18623 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 18623 _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' . . . 18623 1 2 '3D HNCO' . . . 18623 1 3 '3D HNCACB' . . . 18623 1 4 '3D CBCA(CO)NH' . . . 18623 1 5 '3D HBHA(CO)NH' . . . 18623 1 6 '3D C(CO)NH' . . . 18623 1 7 '3D H(CCO)NH' . . . 18623 1 10 '3D 1H-13C NOESY aromatic' . . . 18623 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 4.5960 0.03 . 1 . . . . 93 HIS HA . 18623 1 2 . 1 1 3 3 HIS HB2 H 1 3.1080 0.04 . 2 . . . . 93 HIS HB2 . 18623 1 3 . 1 1 3 3 HIS HB3 H 1 3.1770 0.04 . 2 . . . . 93 HIS HB3 . 18623 1 4 . 1 1 3 3 HIS HD2 H 1 7.1885 0.04 . 1 . . . . 93 HIS HD2 . 18623 1 5 . 1 1 3 3 HIS HE1 H 1 8.2922 0.04 . 1 . . . . 93 HIS HE1 . 18623 1 6 . 1 1 3 3 HIS C C 13 175.2566 0.09 . 1 . . . . 93 HIS C . 18623 1 7 . 1 1 3 3 HIS CA C 13 56.5347 0.40 . 1 . 10919 . . 93 HIS CA . 18623 1 8 . 1 1 3 3 HIS CB C 13 30.1000 0.40 . 1 . 10928 . . 93 HIS CB . 18623 1 9 . 1 1 3 3 HIS CD2 C 13 119.8620 0.35 . 1 . . . . 93 HIS CD2 . 18623 1 10 . 1 1 3 3 HIS CE1 C 13 137.1764 0.35 . 1 . . . . 93 HIS CE1 . 18623 1 11 . 1 1 4 4 MET H H 1 8.3047 0.01 . 1 . 10917 . . 94 MET H . 18623 1 12 . 1 1 4 4 MET HA H 1 4.3530 0.03 . 1 . . . . 94 MET HA . 18623 1 13 . 1 1 4 4 MET HB2 H 1 1.9650 0.04 . 2 . . . . 94 MET HB2 . 18623 1 14 . 1 1 4 4 MET HG2 H 1 2.4900 0.04 . 2 . . . . 94 MET HG2 . 18623 1 15 . 1 1 4 4 MET HG3 H 1 2.4400 0.04 . 2 . . . . 94 MET HG3 . 18623 1 16 . 1 1 4 4 MET C C 13 176.2397 0.09 . 1 . . . . 94 MET C . 18623 1 17 . 1 1 4 4 MET CA C 13 55.9042 0.40 . 1 . 11627 . . 94 MET CA . 18623 1 18 . 1 1 4 4 MET CB C 13 32.9316 0.40 . 1 . 11648 . . 94 MET CB . 18623 1 19 . 1 1 4 4 MET CG C 13 31.8750 0.35 . 1 . . . . 94 MET CG . 18623 1 20 . 1 1 4 4 MET N N 15 121.5950 0.05 . 1 . 10918 . . 94 MET N . 18623 1 21 . 1 1 5 5 LYS H H 1 8.3645 0.01 . 1 . 12769 . A 95 LYS H . 18623 1 22 . 1 1 5 5 LYS HA H 1 4.2370 0.03 . 1 . . . A 95 LYS HA . 18623 1 23 . 1 1 5 5 LYS HB2 H 1 1.7650 0.04 . 2 . . . A 95 LYS HB2 . 18623 1 24 . 1 1 5 5 LYS HG2 H 1 1.4010 0.04 . 2 . . . A 95 LYS HG2 . 18623 1 25 . 1 1 5 5 LYS HD2 H 1 1.7100 0.04 . 2 . . . A 95 LYS HD2 . 18623 1 26 . 1 1 5 5 LYS HD3 H 1 1.6750 0.04 . 2 . . . A 95 LYS HD3 . 18623 1 27 . 1 1 5 5 LYS HE2 H 1 2.9600 0.04 . 2 . . . A 95 LYS HE2 . 18623 1 28 . 1 1 5 5 LYS C C 13 176.7985 0.09 . 1 . . . A 95 LYS C . 18623 1 29 . 1 1 5 5 LYS CA C 13 56.5111 0.40 . 1 . 12774 . A 95 LYS CA . 18623 1 30 . 1 1 5 5 LYS CB C 13 32.9464 0.40 . 1 . 12777 . A 95 LYS CB . 18623 1 31 . 1 1 5 5 LYS CG C 13 24.7590 0.35 . 1 . . . A 95 LYS CG . 18623 1 32 . 1 1 5 5 LYS CD C 13 28.5010 0.35 . 1 . . . A 95 LYS CD . 18623 1 33 . 1 1 5 5 LYS CE C 13 42.2290 0.35 . 1 . . . A 95 LYS CE . 18623 1 34 . 1 1 5 5 LYS N N 15 123.0106 0.05 . 1 . 12770 . A 95 LYS N . 18623 1 35 . 1 1 6 6 LYS H H 1 8.3524 0.01 . 1 . 12757 . A 96 LYS H . 18623 1 36 . 1 1 6 6 LYS HA H 1 4.1960 0.03 . 1 . . . A 96 LYS HA . 18623 1 37 . 1 1 6 6 LYS HB2 H 1 1.7700 0.04 . 2 . . . A 96 LYS HB2 . 18623 1 38 . 1 1 6 6 LYS HG2 H 1 1.4180 0.04 . 2 . . . A 96 LYS HG2 . 18623 1 39 . 1 1 6 6 LYS HG3 H 1 1.3500 0.04 . 2 . . . A 96 LYS HG3 . 18623 1 40 . 1 1 6 6 LYS HD2 H 1 1.6670 0.04 . 2 . . . A 96 LYS HD2 . 18623 1 41 . 1 1 6 6 LYS HE2 H 1 2.9500 0.04 . 2 . . . A 96 LYS HE2 . 18623 1 42 . 1 1 6 6 LYS C C 13 177.0763 0.09 . 1 . . . A 96 LYS C . 18623 1 43 . 1 1 6 6 LYS CA C 13 57.2375 0.40 . 1 . 11624 . A 96 LYS CA . 18623 1 44 . 1 1 6 6 LYS CB C 13 32.7867 0.40 . 1 . 11558 . A 96 LYS CB . 18623 1 45 . 1 1 6 6 LYS CG C 13 24.7840 0.35 . 1 . . . A 96 LYS CG . 18623 1 46 . 1 1 6 6 LYS N N 15 123.2688 0.05 . 1 . 12758 . A 96 LYS N . 18623 1 47 . 1 1 7 7 ILE H H 1 8.2116 0.01 . 1 . 11622 . A 97 ILE H . 18623 1 48 . 1 1 7 7 ILE HA H 1 4.0800 0.03 . 1 . . . A 97 ILE HA . 18623 1 49 . 1 1 7 7 ILE HB H 1 1.8650 0.03 . 1 . . . A 97 ILE HB . 18623 1 50 . 1 1 7 7 ILE HG12 H 1 1.5000 0.04 . 2 . . . A 97 ILE HG12 . 18623 1 51 . 1 1 7 7 ILE HG13 H 1 1.2400 0.04 . 2 . . . A 97 ILE HG13 . 18623 1 52 . 1 1 7 7 ILE HG21 H 1 0.8490 0.04 . 1 . . . A 97 ILE HG21 . 18623 1 53 . 1 1 7 7 ILE HG22 H 1 0.8490 0.04 . 1 . . . A 97 ILE HG22 . 18623 1 54 . 1 1 7 7 ILE HG23 H 1 0.8490 0.04 . 1 . . . A 97 ILE HG23 . 18623 1 55 . 1 1 7 7 ILE HD11 H 1 0.8490 0.04 . 1 . . . A 97 ILE HD11 . 18623 1 56 . 1 1 7 7 ILE HD12 H 1 0.8490 0.04 . 1 . . . A 97 ILE HD12 . 18623 1 57 . 1 1 7 7 ILE HD13 H 1 0.8490 0.04 . 1 . . . A 97 ILE HD13 . 18623 1 58 . 1 1 7 7 ILE C C 13 176.7273 0.09 . 1 . . . A 97 ILE C . 18623 1 59 . 1 1 7 7 ILE CA C 13 61.5384 0.40 . 1 . 11423 . A 97 ILE CA . 18623 1 60 . 1 1 7 7 ILE CB C 13 38.1712 0.40 . 1 . 11639 . A 97 ILE CB . 18623 1 61 . 1 1 7 7 ILE CG1 C 13 27.7090 0.35 . 1 . . . A 97 ILE CG1 . 18623 1 62 . 1 1 7 7 ILE CG2 C 13 18.1780 0.35 . 1 . . . A 97 ILE CG2 . 18623 1 63 . 1 1 7 7 ILE CD1 C 13 13.2570 0.35 . 1 . . . A 97 ILE CD1 . 18623 1 64 . 1 1 7 7 ILE N N 15 122.2514 0.05 . 1 . 11623 . A 97 ILE N . 18623 1 65 . 1 1 8 8 GLU H H 1 8.4891 0.01 . 1 . 11421 . A 98 GLU H . 18623 1 66 . 1 1 8 8 GLU HA H 1 4.1950 0.03 . 1 . . . A 98 GLU HA . 18623 1 67 . 1 1 8 8 GLU HB2 H 1 2.0150 0.04 . 2 . . . A 98 GLU HB2 . 18623 1 68 . 1 1 8 8 GLU HG2 H 1 2.2780 0.04 . 2 . . . A 98 GLU HG2 . 18623 1 69 . 1 1 8 8 GLU C C 13 178.0701 0.09 . 1 . . . A 98 GLU C . 18623 1 70 . 1 1 8 8 GLU CA C 13 57.9658 0.40 . 1 . 11429 . A 98 GLU CA . 18623 1 71 . 1 1 8 8 GLU CB C 13 29.9981 0.40 . 1 . 11435 . A 98 GLU CB . 18623 1 72 . 1 1 8 8 GLU CG C 13 36.5290 0.35 . 1 . . . A 98 GLU CG . 18623 1 73 . 1 1 8 8 GLU N N 15 125.1970 0.05 . 1 . 11422 . A 98 GLU N . 18623 1 74 . 1 1 9 9 LYS H H 1 8.4250 0.01 . 1 . 11601 . A 99 LYS H . 18623 1 75 . 1 1 9 9 LYS HA H 1 4.1270 0.03 . 1 . . . A 99 LYS HA . 18623 1 76 . 1 1 9 9 LYS HB2 H 1 1.8580 0.04 . 2 . . . A 99 LYS HB2 . 18623 1 77 . 1 1 9 9 LYS HG2 H 1 1.4770 0.04 . 2 . . . A 99 LYS HG2 . 18623 1 78 . 1 1 9 9 LYS HD2 H 1 1.6660 0.04 . 2 . . . A 99 LYS HD2 . 18623 1 79 . 1 1 9 9 LYS C C 13 177.9372 0.09 . 1 . . . A 99 LYS C . 18623 1 80 . 1 1 9 9 LYS CA C 13 58.1450 0.40 . 1 . 11591 . A 99 LYS CA . 18623 1 81 . 1 1 9 9 LYS CB C 13 32.1914 0.40 . 1 . 11603 . A 99 LYS CB . 18623 1 82 . 1 1 9 9 LYS CG C 13 24.6930 0.35 . 1 . . . A 99 LYS CG . 18623 1 83 . 1 1 9 9 LYS N N 15 121.5477 0.05 . 1 . 11602 . A 99 LYS N . 18623 1 84 . 1 1 10 10 LEU H H 1 8.2351 0.01 . 1 . 12501 . A 100 LEU H . 18623 1 85 . 1 1 10 10 LEU HA H 1 4.2980 0.03 . 1 . . . A 100 LEU HA . 18623 1 86 . 1 1 10 10 LEU HB2 H 1 1.8240 0.04 . 2 . . . A 100 LEU HB2 . 18623 1 87 . 1 1 10 10 LEU HB3 H 1 1.7300 0.04 . 2 . . . A 100 LEU HB3 . 18623 1 88 . 1 1 10 10 LEU HG H 1 1.7330 0.04 . 1 . . . A 100 LEU HG . 18623 1 89 . 1 1 10 10 LEU HD11 H 1 0.8800 0.04 . 2 . . . A 100 LEU HD11 . 18623 1 90 . 1 1 10 10 LEU HD12 H 1 0.8800 0.04 . 2 . . . A 100 LEU HD12 . 18623 1 91 . 1 1 10 10 LEU HD13 H 1 0.8800 0.04 . 2 . . . A 100 LEU HD13 . 18623 1 92 . 1 1 10 10 LEU HD21 H 1 0.9500 0.04 . 2 . . . A 100 LEU HD21 . 18623 1 93 . 1 1 10 10 LEU HD22 H 1 0.9500 0.04 . 2 . . . A 100 LEU HD22 . 18623 1 94 . 1 1 10 10 LEU HD23 H 1 0.9500 0.04 . 2 . . . A 100 LEU HD23 . 18623 1 95 . 1 1 10 10 LEU C C 13 179.1700 0.09 . 1 . . . A 100 LEU C . 18623 1 96 . 1 1 10 10 LEU CA C 13 57.7822 0.40 . 1 . 11807 . A 100 LEU CA . 18623 1 97 . 1 1 10 10 LEU CB C 13 42.7595 0.40 . 1 . 11078 . A 100 LEU CB . 18623 1 98 . 1 1 10 10 LEU CG C 13 26.9050 0.35 . 1 . . . A 100 LEU CG . 18623 1 99 . 1 1 10 10 LEU CD1 C 13 23.8980 0.35 . 2 . . . A 100 LEU CD1 . 18623 1 100 . 1 1 10 10 LEU N N 15 118.5855 0.05 . 1 . 12502 . A 100 LEU N . 18623 1 101 . 1 1 11 11 GLU H H 1 8.1003 0.01 . 1 . 12417 . A 101 GLU H . 18623 1 102 . 1 1 11 11 GLU HA H 1 4.1060 0.03 . 1 . . . A 101 GLU HA . 18623 1 103 . 1 1 11 11 GLU HB2 H 1 2.1350 0.04 . 2 . . . A 101 GLU HB2 . 18623 1 104 . 1 1 11 11 GLU HB3 H 1 2.0330 0.04 . 2 . . . A 101 GLU HB3 . 18623 1 105 . 1 1 11 11 GLU HG2 H 1 2.3420 0.04 . 2 . . . A 101 GLU HG2 . 18623 1 106 . 1 1 11 11 GLU C C 13 178.7038 0.09 . 1 . . . A 101 GLU C . 18623 1 107 . 1 1 11 11 GLU CA C 13 59.8520 0.40 . 1 . 11894 . A 101 GLU CA . 18623 1 108 . 1 1 11 11 GLU CB C 13 29.2474 0.40 . 1 . 11918 . A 101 GLU CB . 18623 1 109 . 1 1 11 11 GLU CG C 13 35.6600 0.35 . 1 . . . A 101 GLU CG . 18623 1 110 . 1 1 11 11 GLU N N 15 119.0193 0.05 . 1 . 12418 . A 101 GLU N . 18623 1 111 . 1 1 12 12 GLU H H 1 7.9927 0.01 . 1 . 12018 . A 102 GLU H . 18623 1 112 . 1 1 12 12 GLU HA H 1 3.9110 0.03 . 1 . . . A 102 GLU HA . 18623 1 113 . 1 1 12 12 GLU HB2 H 1 1.8460 0.04 . 2 . . . A 102 GLU HB2 . 18623 1 114 . 1 1 12 12 GLU HB3 H 1 1.6600 0.04 . 2 . . . A 102 GLU HB3 . 18623 1 115 . 1 1 12 12 GLU HG2 H 1 2.0000 0.04 . 2 . . . A 102 GLU HG2 . 18623 1 116 . 1 1 12 12 GLU HG3 H 1 1.8800 0.04 . 2 . . . A 102 GLU HG3 . 18623 1 117 . 1 1 12 12 GLU C C 13 179.4895 0.09 . 1 . . . A 102 GLU C . 18623 1 118 . 1 1 12 12 GLU CA C 13 59.6775 0.40 . 1 . 12020 . A 102 GLU CA . 18623 1 119 . 1 1 12 12 GLU CB C 13 29.2202 0.40 . 1 . 12044 . A 102 GLU CB . 18623 1 120 . 1 1 12 12 GLU CG C 13 36.0460 0.35 . 1 . . . A 102 GLU CG . 18623 1 121 . 1 1 12 12 GLU N N 15 118.0184 0.05 . 1 . 12019 . A 102 GLU N . 18623 1 122 . 1 1 13 13 TYR H H 1 7.5086 0.01 . 1 . 12003 . A 103 TYR H . 18623 1 123 . 1 1 13 13 TYR HA H 1 4.2650 0.03 . 1 . . . A 103 TYR HA . 18623 1 124 . 1 1 13 13 TYR HB2 H 1 2.9020 0.04 . 2 . . . A 103 TYR HB2 . 18623 1 125 . 1 1 13 13 TYR HB3 H 1 2.5720 0.04 . 2 . . . A 103 TYR HB3 . 18623 1 126 . 1 1 13 13 TYR HD1 H 1 6.6500 0.04 . 3 . . . A 103 TYR HD1 . 18623 1 127 . 1 1 13 13 TYR HE1 H 1 6.5300 0.04 . 3 . . . A 103 TYR HE1 . 18623 1 128 . 1 1 13 13 TYR C C 13 178.2356 0.09 . 1 . . . A 103 TYR C . 18623 1 129 . 1 1 13 13 TYR CA C 13 62.1462 0.40 . 1 . 11672 . A 103 TYR CA . 18623 1 130 . 1 1 13 13 TYR CB C 13 38.1334 0.40 . 1 . 11993 . A 103 TYR CB . 18623 1 131 . 1 1 13 13 TYR CD1 C 13 132.6128 0.35 . 3 . . . A 103 TYR CD1 . 18623 1 132 . 1 1 13 13 TYR CE1 C 13 118.2587 0.35 . 3 . . . A 103 TYR CE1 . 18623 1 133 . 1 1 13 13 TYR N N 15 118.9442 0.05 . 1 . 12004 . A 103 TYR N . 18623 1 134 . 1 1 14 14 ARG H H 1 8.6835 0.01 . 1 . 11670 . A 104 ARG H . 18623 1 135 . 1 1 14 14 ARG HA H 1 4.2160 0.03 . 1 . . . A 104 ARG HA . 18623 1 136 . 1 1 14 14 ARG HB2 H 1 2.2030 0.04 . 2 . . . A 104 ARG HB2 . 18623 1 137 . 1 1 14 14 ARG HB3 H 1 1.9860 0.04 . 2 . . . A 104 ARG HB3 . 18623 1 138 . 1 1 14 14 ARG HG2 H 1 1.9100 0.04 . 2 . . . A 104 ARG HG2 . 18623 1 139 . 1 1 14 14 ARG HD2 H 1 3.2300 0.04 . 2 . . . A 104 ARG HD2 . 18623 1 140 . 1 1 14 14 ARG HD3 H 1 3.4200 0.04 . 2 . . . A 104 ARG HD3 . 18623 1 141 . 1 1 14 14 ARG C C 13 178.3881 0.09 . 1 . . . A 104 ARG C . 18623 1 142 . 1 1 14 14 ARG CA C 13 60.7118 0.40 . 1 . 11066 . A 104 ARG CA . 18623 1 143 . 1 1 14 14 ARG CB C 13 30.6883 0.40 . 1 . 11681 . A 104 ARG CB . 18623 1 144 . 1 1 14 14 ARG CG C 13 29.1680 0.35 . 1 . . . A 104 ARG CG . 18623 1 145 . 1 1 14 14 ARG N N 15 121.3366 0.05 . 1 . 11671 . A 104 ARG N . 18623 1 146 . 1 1 15 15 LEU H H 1 8.0833 0.01 . 1 . 12453 . A 105 LEU H . 18623 1 147 . 1 1 15 15 LEU HA H 1 4.0040 0.03 . 1 . . . A 105 LEU HA . 18623 1 148 . 1 1 15 15 LEU HB2 H 1 1.8350 0.04 . 2 . . . A 105 LEU HB2 . 18623 1 149 . 1 1 15 15 LEU HB3 H 1 1.5110 0.04 . 2 . . . A 105 LEU HB3 . 18623 1 150 . 1 1 15 15 LEU HG H 1 1.5190 0.04 . 1 . . . A 105 LEU HG . 18623 1 151 . 1 1 15 15 LEU HD11 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD11 . 18623 1 152 . 1 1 15 15 LEU HD12 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD12 . 18623 1 153 . 1 1 15 15 LEU HD13 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD13 . 18623 1 154 . 1 1 15 15 LEU HD21 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD21 . 18623 1 155 . 1 1 15 15 LEU HD22 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD22 . 18623 1 156 . 1 1 15 15 LEU HD23 H 1 0.8880 0.04 . 2 . . . A 105 LEU HD23 . 18623 1 157 . 1 1 15 15 LEU C C 13 179.9421 0.09 . 1 . . . A 105 LEU C . 18623 1 158 . 1 1 15 15 LEU CA C 13 58.1808 0.40 . 1 . 11900 . A 105 LEU CA . 18623 1 159 . 1 1 15 15 LEU CB C 13 41.7325 0.40 . 1 . 11909 . A 105 LEU CB . 18623 1 160 . 1 1 15 15 LEU CD1 C 13 24.8130 0.35 . 2 . . . A 105 LEU CD1 . 18623 1 161 . 1 1 15 15 LEU CD2 C 13 23.2440 0.35 . 2 . . . A 105 LEU CD2 . 18623 1 162 . 1 1 15 15 LEU N N 15 118.3356 0.05 . 1 . 12454 . A 105 LEU N . 18623 1 163 . 1 1 16 16 LEU H H 1 7.9114 0.01 . 1 . 11655 . A 106 LEU H . 18623 1 164 . 1 1 16 16 LEU HA H 1 4.2030 0.03 . 1 . . . A 106 LEU HA . 18623 1 165 . 1 1 16 16 LEU HB2 H 1 2.0970 0.04 . 2 . . . A 106 LEU HB2 . 18623 1 166 . 1 1 16 16 LEU HB3 H 1 1.5600 0.04 . 2 . . . A 106 LEU HB3 . 18623 1 167 . 1 1 16 16 LEU HG H 1 1.6160 0.04 . 1 . . . A 106 LEU HG . 18623 1 168 . 1 1 16 16 LEU HD11 H 1 0.5220 0.04 . 2 . . . A 106 LEU HD11 . 18623 1 169 . 1 1 16 16 LEU HD12 H 1 0.5220 0.04 . 2 . . . A 106 LEU HD12 . 18623 1 170 . 1 1 16 16 LEU HD13 H 1 0.5220 0.04 . 2 . . . A 106 LEU HD13 . 18623 1 171 . 1 1 16 16 LEU HD21 H 1 0.9440 0.04 . 2 . . . A 106 LEU HD21 . 18623 1 172 . 1 1 16 16 LEU HD22 H 1 0.9440 0.04 . 2 . . . A 106 LEU HD22 . 18623 1 173 . 1 1 16 16 LEU HD23 H 1 0.9440 0.04 . 2 . . . A 106 LEU HD23 . 18623 1 174 . 1 1 16 16 LEU C C 13 178.1271 0.09 . 1 . . . A 106 LEU C . 18623 1 175 . 1 1 16 16 LEU CA C 13 58.1855 0.40 . 1 . 11657 . A 106 LEU CA . 18623 1 176 . 1 1 16 16 LEU CB C 13 42.1577 0.40 . 1 . 11660 . A 106 LEU CB . 18623 1 177 . 1 1 16 16 LEU CD1 C 13 25.3810 0.35 . 2 . . . A 106 LEU CD1 . 18623 1 178 . 1 1 16 16 LEU CD2 C 13 22.8050 0.35 . 2 . . . A 106 LEU CD2 . 18623 1 179 . 1 1 16 16 LEU N N 15 121.5184 0.05 . 1 . 11656 . A 106 LEU N . 18623 1 180 . 1 1 17 17 LEU H H 1 8.7997 0.01 . 1 . 11790 . A 107 LEU H . 18623 1 181 . 1 1 17 17 LEU HA H 1 4.3080 0.03 . 1 . . . A 107 LEU HA . 18623 1 182 . 1 1 17 17 LEU HB2 H 1 2.1100 0.04 . 2 . . . A 107 LEU HB2 . 18623 1 183 . 1 1 17 17 LEU HB3 H 1 2.1800 0.04 . 2 . . . A 107 LEU HB3 . 18623 1 184 . 1 1 17 17 LEU HG H 1 1.3020 0.04 . 1 . . . A 107 LEU HG . 18623 1 185 . 1 1 17 17 LEU HD11 H 1 0.4520 0.04 . 2 . . . A 107 LEU HD11 . 18623 1 186 . 1 1 17 17 LEU HD12 H 1 0.4520 0.04 . 2 . . . A 107 LEU HD12 . 18623 1 187 . 1 1 17 17 LEU HD13 H 1 0.4520 0.04 . 2 . . . A 107 LEU HD13 . 18623 1 188 . 1 1 17 17 LEU HD21 H 1 0.2830 0.04 . 2 . . . A 107 LEU HD21 . 18623 1 189 . 1 1 17 17 LEU HD22 H 1 0.2830 0.04 . 2 . . . A 107 LEU HD22 . 18623 1 190 . 1 1 17 17 LEU HD23 H 1 0.2830 0.04 . 2 . . . A 107 LEU HD23 . 18623 1 191 . 1 1 17 17 LEU C C 13 178.0314 0.09 . 1 . . . A 107 LEU C . 18623 1 192 . 1 1 17 17 LEU CA C 13 58.3318 0.40 . 1 . 11789 . A 107 LEU CA . 18623 1 193 . 1 1 17 17 LEU CB C 13 40.9651 0.40 . 1 . 12170 . A 107 LEU CB . 18623 1 194 . 1 1 17 17 LEU CG C 13 27.7490 0.35 . 1 . . . A 107 LEU CG . 18623 1 195 . 1 1 17 17 LEU CD1 C 13 27.3150 0.35 . 2 . . . A 107 LEU CD1 . 18623 1 196 . 1 1 17 17 LEU CD2 C 13 22.2580 0.35 . 2 . . . A 107 LEU CD2 . 18623 1 197 . 1 1 17 17 LEU N N 15 119.0469 0.05 . 1 . 11791 . A 107 LEU N . 18623 1 198 . 1 1 18 18 LYS H H 1 8.1992 0.01 . 1 . 12165 . A 108 LYS H . 18623 1 199 . 1 1 18 18 LYS HA H 1 3.9050 0.03 . 1 . . . A 108 LYS HA . 18623 1 200 . 1 1 18 18 LYS HB2 H 1 1.9310 0.04 . 2 . . . A 108 LYS HB2 . 18623 1 201 . 1 1 18 18 LYS HG2 H 1 1.4110 0.04 . 2 . . . A 108 LYS HG2 . 18623 1 202 . 1 1 18 18 LYS HG3 H 1 1.6300 0.04 . 2 . . . A 108 LYS HG3 . 18623 1 203 . 1 1 18 18 LYS HD2 H 1 1.6220 0.04 . 2 . . . A 108 LYS HD2 . 18623 1 204 . 1 1 18 18 LYS C C 13 180.3164 0.09 . 1 . . . A 108 LYS C . 18623 1 205 . 1 1 18 18 LYS CA C 13 59.9848 0.40 . 1 . 12161 . A 108 LYS CA . 18623 1 206 . 1 1 18 18 LYS CB C 13 32.2607 0.40 . 1 . 11813 . A 108 LYS CB . 18623 1 207 . 1 1 18 18 LYS CG C 13 25.8540 0.35 . 1 . . . A 108 LYS CG . 18623 1 208 . 1 1 18 18 LYS CE C 13 42.2620 0.35 . 1 . . . A 108 LYS CE . 18623 1 209 . 1 1 18 18 LYS N N 15 115.8733 0.05 . 1 . 12166 . A 108 LYS N . 18623 1 210 . 1 1 19 19 ARG H H 1 8.1384 0.01 . 1 . 11811 . A 109 ARG H . 18623 1 211 . 1 1 19 19 ARG HA H 1 4.1710 0.03 . 1 . . . A 109 ARG HA . 18623 1 212 . 1 1 19 19 ARG HB2 H 1 2.1400 0.04 . 2 . . . A 109 ARG HB2 . 18623 1 213 . 1 1 19 19 ARG HB3 H 1 2.3150 0.04 . 2 . . . A 109 ARG HB3 . 18623 1 214 . 1 1 19 19 ARG HG2 H 1 1.8500 0.04 . 2 . . . A 109 ARG HG2 . 18623 1 215 . 1 1 19 19 ARG HG3 H 1 1.9900 0.04 . 2 . . . A 109 ARG HG3 . 18623 1 216 . 1 1 19 19 ARG HD2 H 1 3.2440 0.04 . 2 . . . A 109 ARG HD2 . 18623 1 217 . 1 1 19 19 ARG HD3 H 1 3.4120 0.04 . 2 . . . A 109 ARG HD3 . 18623 1 218 . 1 1 19 19 ARG C C 13 178.3683 0.09 . 1 . . . A 109 ARG C . 18623 1 219 . 1 1 19 19 ARG CA C 13 59.4429 0.40 . 1 . 11804 . A 109 ARG CA . 18623 1 220 . 1 1 19 19 ARG CB C 13 30.2467 0.40 . 1 . 11816 . A 109 ARG CB . 18623 1 221 . 1 1 19 19 ARG CG C 13 27.5360 0.35 . 1 . . . A 109 ARG CG . 18623 1 222 . 1 1 19 19 ARG CD C 13 44.2600 0.35 . 1 . . . A 109 ARG CD . 18623 1 223 . 1 1 19 19 ARG N N 15 119.8150 0.05 . 1 . 11812 . A 109 ARG N . 18623 1 224 . 1 1 20 20 LEU H H 1 8.1633 0.01 . 1 . 12030 . A 110 LEU H . 18623 1 225 . 1 1 20 20 LEU HA H 1 4.8180 0.03 . 1 . . . A 110 LEU HA . 18623 1 226 . 1 1 20 20 LEU HB2 H 1 2.2070 0.04 . 2 . . . A 110 LEU HB2 . 18623 1 227 . 1 1 20 20 LEU HB3 H 1 2.2300 0.04 . 2 . . . A 110 LEU HB3 . 18623 1 228 . 1 1 20 20 LEU HG H 1 2.0900 0.04 . 1 . . . A 110 LEU HG . 18623 1 229 . 1 1 20 20 LEU HD11 H 1 1.0850 0.04 . 2 . . . A 110 LEU HD11 . 18623 1 230 . 1 1 20 20 LEU HD12 H 1 1.0850 0.04 . 2 . . . A 110 LEU HD12 . 18623 1 231 . 1 1 20 20 LEU HD13 H 1 1.0850 0.04 . 2 . . . A 110 LEU HD13 . 18623 1 232 . 1 1 20 20 LEU HD21 H 1 1.0160 0.04 . 2 . . . A 110 LEU HD21 . 18623 1 233 . 1 1 20 20 LEU HD22 H 1 1.0160 0.04 . 2 . . . A 110 LEU HD22 . 18623 1 234 . 1 1 20 20 LEU HD23 H 1 1.0160 0.04 . 2 . . . A 110 LEU HD23 . 18623 1 235 . 1 1 20 20 LEU C C 13 177.0376 0.09 . 1 . . . A 110 LEU C . 18623 1 236 . 1 1 20 20 LEU CA C 13 54.1601 0.40 . 1 . 12032 . A 110 LEU CA . 18623 1 237 . 1 1 20 20 LEU CB C 13 43.2354 0.40 . 1 . 10847 . A 110 LEU CB . 18623 1 238 . 1 1 20 20 LEU CG C 13 27.0600 0.35 . 1 . . . A 110 LEU CG . 18623 1 239 . 1 1 20 20 LEU CD1 C 13 27.0600 0.35 . 2 . . . A 110 LEU CD1 . 18623 1 240 . 1 1 20 20 LEU CD2 C 13 22.5800 0.35 . 2 . . . A 110 LEU CD2 . 18623 1 241 . 1 1 20 20 LEU N N 15 117.3939 0.05 . 1 . 12031 . A 110 LEU N . 18623 1 242 . 1 1 21 21 GLN H H 1 7.6561 0.01 . 1 . 11484 . A 111 GLN H . 18623 1 243 . 1 1 21 21 GLN HB2 H 1 2.2960 0.04 . 2 . . . A 111 GLN HB2 . 18623 1 244 . 1 1 21 21 GLN HB3 H 1 2.3600 0.04 . 2 . . . A 111 GLN HB3 . 18623 1 245 . 1 1 21 21 GLN HG2 H 1 2.4000 0.04 . 2 . . . A 111 GLN HG2 . 18623 1 246 . 1 1 21 21 GLN CA C 13 62.2923 0.40 . 1 . 11480 . A 111 GLN CA . 18623 1 247 . 1 1 21 21 GLN CB C 13 26.8399 0.40 . 1 . 11495 . A 111 GLN CB . 18623 1 248 . 1 1 21 21 GLN N N 15 123.3497 0.05 . 1 . 11485 . A 111 GLN N . 18623 1 249 . 1 1 22 22 PRO HA H 1 4.1970 0.03 . 1 . . . A 112 PRO HA . 18623 1 250 . 1 1 22 22 PRO HB2 H 1 2.3700 0.04 . 2 . . . A 112 PRO HB2 . 18623 1 251 . 1 1 22 22 PRO HB3 H 1 1.8930 0.04 . 2 . . . A 112 PRO HB3 . 18623 1 252 . 1 1 22 22 PRO HG2 H 1 2.2170 0.04 . 2 . . . A 112 PRO HG2 . 18623 1 253 . 1 1 22 22 PRO HG3 H 1 2.0070 0.04 . 2 . . . A 112 PRO HG3 . 18623 1 254 . 1 1 22 22 PRO HD2 H 1 3.8020 0.04 . 2 . . . A 112 PRO HD2 . 18623 1 255 . 1 1 22 22 PRO HD3 H 1 3.8600 0.04 . 2 . . . A 112 PRO HD3 . 18623 1 256 . 1 1 22 22 PRO C C 13 179.4837 0.09 . 1 . . . A 112 PRO C . 18623 1 257 . 1 1 22 22 PRO CA C 13 66.7739 0.40 . 1 . 11210 . A 112 PRO CA . 18623 1 258 . 1 1 22 22 PRO CB C 13 31.1138 0.40 . 1 . 11213 . A 112 PRO CB . 18623 1 259 . 1 1 22 22 PRO CD C 13 50.4360 0.35 . 1 . . . A 112 PRO CD . 18623 1 260 . 1 1 23 23 GLU H H 1 7.9262 0.01 . 1 . 12150 . A 113 GLU H . 18623 1 261 . 1 1 23 23 GLU HA H 1 4.1640 0.03 . 1 . . . A 113 GLU HA . 18623 1 262 . 1 1 23 23 GLU HB2 H 1 2.4300 0.04 . 2 . . . A 113 GLU HB2 . 18623 1 263 . 1 1 23 23 GLU HB3 H 1 2.0200 0.04 . 2 . . . A 113 GLU HB3 . 18623 1 264 . 1 1 23 23 GLU HG2 H 1 2.4230 0.04 . 2 . . . A 113 GLU HG2 . 18623 1 265 . 1 1 23 23 GLU HG3 H 1 2.3630 0.04 . 2 . . . A 113 GLU HG3 . 18623 1 266 . 1 1 23 23 GLU C C 13 178.0512 0.09 . 1 . . . A 113 GLU C . 18623 1 267 . 1 1 23 23 GLU CA C 13 59.1705 0.40 . 1 . 11501 . A 113 GLU CA . 18623 1 268 . 1 1 23 23 GLU CB C 13 29.5423 0.40 . 1 . 11507 . A 113 GLU CB . 18623 1 269 . 1 1 23 23 GLU CG C 13 36.0670 0.35 . 1 . . . A 113 GLU CG . 18623 1 270 . 1 1 23 23 GLU N N 15 117.3386 0.05 . 1 . 12151 . A 113 GLU N . 18623 1 271 . 1 1 24 24 PHE H H 1 8.8859 0.01 . 1 . 11496 . A 114 PHE H . 18623 1 272 . 1 1 24 24 PHE HA H 1 3.0810 0.03 . 1 . . . A 114 PHE HA . 18623 1 273 . 1 1 24 24 PHE HB2 H 1 2.9840 0.04 . 2 . . . A 114 PHE HB2 . 18623 1 274 . 1 1 24 24 PHE HB3 H 1 2.4180 0.04 . 2 . . . A 114 PHE HB3 . 18623 1 275 . 1 1 24 24 PHE HD1 H 1 6.2000 0.04 . 3 . . . A 114 PHE HD1 . 18623 1 276 . 1 1 24 24 PHE HE1 H 1 6.7000 0.04 . 3 . . . A 114 PHE HE1 . 18623 1 277 . 1 1 24 24 PHE HZ H 1 6.5580 0.04 . 1 . . . A 114 PHE HZ . 18623 1 278 . 1 1 24 24 PHE C C 13 177.1411 0.09 . 1 . . . A 114 PHE C . 18623 1 279 . 1 1 24 24 PHE CA C 13 60.9253 0.40 . 1 . 11498 . A 114 PHE CA . 18623 1 280 . 1 1 24 24 PHE CB C 13 39.6939 0.40 . 1 . 12260 . A 114 PHE CB . 18623 1 281 . 1 1 24 24 PHE CD1 C 13 132.5508 0.35 . 3 . . . A 114 PHE CD1 . 18623 1 282 . 1 1 24 24 PHE CE1 C 13 129.8946 0.35 . 3 . . . A 114 PHE CE1 . 18623 1 283 . 1 1 24 24 PHE CZ C 13 127.6898 0.35 . 1 . . . A 114 PHE CZ . 18623 1 284 . 1 1 24 24 PHE N N 15 122.3619 0.05 . 1 . 11497 . A 114 PHE N . 18623 1 285 . 1 1 25 25 LYS H H 1 8.4484 0.01 . 1 . 12555 . A 115 LYS H . 18623 1 286 . 1 1 25 25 LYS HA H 1 3.8690 0.03 . 1 . . . A 115 LYS HA . 18623 1 287 . 1 1 25 25 LYS HB2 H 1 1.9530 0.04 . 2 . . . A 115 LYS HB2 . 18623 1 288 . 1 1 25 25 LYS HB3 H 1 1.7500 0.04 . 2 . . . A 115 LYS HB3 . 18623 1 289 . 1 1 25 25 LYS HG2 H 1 1.5710 0.04 . 2 . . . A 115 LYS HG2 . 18623 1 290 . 1 1 25 25 LYS HD2 H 1 1.7190 0.04 . 2 . . . A 115 LYS HD2 . 18623 1 291 . 1 1 25 25 LYS HE2 H 1 2.8900 0.04 . 2 . . . A 115 LYS HE2 . 18623 1 292 . 1 1 25 25 LYS C C 13 176.0810 0.09 . 1 . . . A 115 LYS C . 18623 1 293 . 1 1 25 25 LYS CA C 13 59.0664 0.40 . 1 . 12257 . A 115 LYS CA . 18623 1 294 . 1 1 25 25 LYS CB C 13 32.4486 0.40 . 1 . 12263 . A 115 LYS CB . 18623 1 295 . 1 1 25 25 LYS CG C 13 24.9670 0.35 . 1 . . . A 115 LYS CG . 18623 1 296 . 1 1 25 25 LYS CD C 13 30.8680 0.35 . 1 . . . A 115 LYS CD . 18623 1 297 . 1 1 25 25 LYS N N 15 113.4833 0.05 . 1 . 12556 . A 115 LYS N . 18623 1 298 . 1 1 26 26 THR H H 1 7.1558 0.01 . 1 . 12612 . A 116 THR H . 18623 1 299 . 1 1 26 26 THR HA H 1 4.2470 0.03 . 1 . . . A 116 THR HA . 18623 1 300 . 1 1 26 26 THR HB H 1 4.2470 0.03 . 1 . . . A 116 THR HB . 18623 1 301 . 1 1 26 26 THR HG21 H 1 1.2470 0.04 . 1 . . . A 116 THR HG21 . 18623 1 302 . 1 1 26 26 THR HG22 H 1 1.2470 0.04 . 1 . . . A 116 THR HG22 . 18623 1 303 . 1 1 26 26 THR HG23 H 1 1.2470 0.04 . 1 . . . A 116 THR HG23 . 18623 1 304 . 1 1 26 26 THR C C 13 176.0350 0.09 . 1 . . . A 116 THR C . 18623 1 305 . 1 1 26 26 THR CA C 13 62.8735 0.40 . 1 . 12368 . A 116 THR CA . 18623 1 306 . 1 1 26 26 THR CB C 13 69.7756 0.40 . 1 . 12365 . A 116 THR CB . 18623 1 307 . 1 1 26 26 THR CG2 C 13 22.3260 0.35 . 1 . . . A 116 THR CG2 . 18623 1 308 . 1 1 26 26 THR N N 15 106.5949 0.05 . 1 . 12613 . A 116 THR N . 18623 1 309 . 1 1 27 27 ARG H H 1 7.4989 0.01 . 1 . 11958 . A 117 ARG H . 18623 1 310 . 1 1 27 27 ARG HA H 1 4.3770 0.03 . 1 . . . A 117 ARG HA . 18623 1 311 . 1 1 27 27 ARG HB2 H 1 2.0470 0.04 . 2 . . . A 117 ARG HB2 . 18623 1 312 . 1 1 27 27 ARG HB3 H 1 1.5410 0.04 . 2 . . . A 117 ARG HB3 . 18623 1 313 . 1 1 27 27 ARG HG2 H 1 1.7490 0.04 . 2 . . . A 117 ARG HG2 . 18623 1 314 . 1 1 27 27 ARG HG3 H 1 1.5490 0.04 . 2 . . . A 117 ARG HG3 . 18623 1 315 . 1 1 27 27 ARG HD2 H 1 3.0800 0.04 . 2 . . . A 117 ARG HD2 . 18623 1 316 . 1 1 27 27 ARG C C 13 176.0001 0.09 . 1 . . . A 117 ARG C . 18623 1 317 . 1 1 27 27 ARG CA C 13 56.6215 0.40 . 1 . 11981 . A 117 ARG CA . 18623 1 318 . 1 1 27 27 ARG CB C 13 32.4559 0.40 . 1 . 11777 . A 117 ARG CB . 18623 1 319 . 1 1 27 27 ARG CG C 13 27.4310 0.35 . 1 . . . A 117 ARG CG . 18623 1 320 . 1 1 27 27 ARG CD C 13 43.8700 0.35 . 1 . . . A 117 ARG CD . 18623 1 321 . 1 1 27 27 ARG N N 15 118.3301 0.05 . 1 . 11959 . A 117 ARG N . 18623 1 322 . 1 1 28 28 ILE H H 1 7.4868 0.01 . 1 . 11775 . A 118 ILE H . 18623 1 323 . 1 1 28 28 ILE HA H 1 3.8300 0.03 . 1 . . . A 118 ILE HA . 18623 1 324 . 1 1 28 28 ILE HB H 1 1.1120 0.03 . 1 . . . A 118 ILE HB . 18623 1 325 . 1 1 28 28 ILE HG12 H 1 0.2000 0.04 . 2 . . . A 118 ILE HG12 . 18623 1 326 . 1 1 28 28 ILE HG13 H 1 -0.3200 0.04 . 2 . . . A 118 ILE HG13 . 18623 1 327 . 1 1 28 28 ILE HG21 H 1 0.0800 0.04 . 1 . . . A 118 ILE HG21 . 18623 1 328 . 1 1 28 28 ILE HG22 H 1 0.0800 0.04 . 1 . . . A 118 ILE HG22 . 18623 1 329 . 1 1 28 28 ILE HG23 H 1 0.0800 0.04 . 1 . . . A 118 ILE HG23 . 18623 1 330 . 1 1 28 28 ILE HD11 H 1 -0.2550 0.04 . 1 . . . A 118 ILE HD11 . 18623 1 331 . 1 1 28 28 ILE HD12 H 1 -0.2550 0.04 . 1 . . . A 118 ILE HD12 . 18623 1 332 . 1 1 28 28 ILE HD13 H 1 -0.2550 0.04 . 1 . . . A 118 ILE HD13 . 18623 1 333 . 1 1 28 28 ILE C C 13 174.0044 0.09 . 1 . . . A 118 ILE C . 18623 1 334 . 1 1 28 28 ILE CA C 13 59.3236 0.40 . 1 . 11330 . A 118 ILE CA . 18623 1 335 . 1 1 28 28 ILE CB C 13 36.7286 0.40 . 1 . 11774 . A 118 ILE CB . 18623 1 336 . 1 1 28 28 ILE CG1 C 13 26.9890 0.35 . 1 . . . A 118 ILE CG1 . 18623 1 337 . 1 1 28 28 ILE CG2 C 13 17.3380 0.35 . 1 . . . A 118 ILE CG2 . 18623 1 338 . 1 1 28 28 ILE CD1 C 13 12.0600 0.35 . 1 . . . A 118 ILE CD1 . 18623 1 339 . 1 1 28 28 ILE N N 15 120.4282 0.05 . 1 . 11776 . A 118 ILE N . 18623 1 340 . 1 1 29 29 ILE H H 1 8.5290 0.01 . 1 . 11334 . A 119 ILE H . 18623 1 341 . 1 1 29 29 ILE HA H 1 4.4300 0.03 . 1 . . . A 119 ILE HA . 18623 1 342 . 1 1 29 29 ILE HB H 1 2.1010 0.03 . 1 . . . A 119 ILE HB . 18623 1 343 . 1 1 29 29 ILE HG12 H 1 1.4400 0.04 . 2 . . . A 119 ILE HG12 . 18623 1 344 . 1 1 29 29 ILE HG13 H 1 1.2000 0.04 . 2 . . . A 119 ILE HG13 . 18623 1 345 . 1 1 29 29 ILE HG21 H 1 0.8520 0.04 . 1 . . . A 119 ILE HG21 . 18623 1 346 . 1 1 29 29 ILE HG22 H 1 0.8520 0.04 . 1 . . . A 119 ILE HG22 . 18623 1 347 . 1 1 29 29 ILE HG23 H 1 0.8520 0.04 . 1 . . . A 119 ILE HG23 . 18623 1 348 . 1 1 29 29 ILE HD11 H 1 0.7600 0.04 . 1 . . . A 119 ILE HD11 . 18623 1 349 . 1 1 29 29 ILE HD12 H 1 0.7600 0.04 . 1 . . . A 119 ILE HD12 . 18623 1 350 . 1 1 29 29 ILE HD13 H 1 0.7600 0.04 . 1 . . . A 119 ILE HD13 . 18623 1 351 . 1 1 29 29 ILE CA C 13 56.8148 0.40 . 1 . 11333 . A 119 ILE CA . 18623 1 352 . 1 1 29 29 ILE CB C 13 36.3921 0.40 . 1 . 11336 . A 119 ILE CB . 18623 1 353 . 1 1 29 29 ILE CG1 C 13 26.6000 0.35 . 1 . . . A 119 ILE CG1 . 18623 1 354 . 1 1 29 29 ILE CG2 C 13 17.7000 0.35 . 1 . . . A 119 ILE CG2 . 18623 1 355 . 1 1 29 29 ILE CD1 C 13 11.3000 0.35 . 1 . . . A 119 ILE CD1 . 18623 1 356 . 1 1 29 29 ILE N N 15 128.8932 0.05 . 1 . 11335 . A 119 ILE N . 18623 1 357 . 1 1 30 30 PRO HA H 1 3.6860 0.03 . 1 . . . A 120 PRO HA . 18623 1 358 . 1 1 30 30 PRO HB2 H 1 1.7720 0.04 . 2 . . . A 120 PRO HB2 . 18623 1 359 . 1 1 30 30 PRO HB3 H 1 2.0300 0.04 . 2 . . . A 120 PRO HB3 . 18623 1 360 . 1 1 30 30 PRO HG2 H 1 1.7840 0.04 . 2 . . . A 120 PRO HG2 . 18623 1 361 . 1 1 30 30 PRO HG3 H 1 1.5400 0.04 . 2 . . . A 120 PRO HG3 . 18623 1 362 . 1 1 30 30 PRO HD2 H 1 4.0480 0.04 . 2 . . . A 120 PRO HD2 . 18623 1 363 . 1 1 30 30 PRO HD3 H 1 4.2300 0.04 . 2 . . . A 120 PRO HD3 . 18623 1 364 . 1 1 30 30 PRO C C 13 176.6338 0.09 . 1 . . . A 120 PRO C . 18623 1 365 . 1 1 30 30 PRO CA C 13 65.6877 0.40 . 1 . 10781 . A 120 PRO CA . 18623 1 366 . 1 1 30 30 PRO CB C 13 32.5399 0.40 . 1 . 10784 . A 120 PRO CB . 18623 1 367 . 1 1 30 30 PRO CG C 13 27.5880 0.35 . 1 . . . A 120 PRO CG . 18623 1 368 . 1 1 30 30 PRO CD C 13 51.5200 0.35 . 1 . . . A 120 PRO CD . 18623 1 369 . 1 1 31 31 THR H H 1 6.7522 0.01 . 1 . 11346 . A 121 THR H . 18623 1 370 . 1 1 31 31 THR HA H 1 3.6860 0.03 . 1 . . . A 121 THR HA . 18623 1 371 . 1 1 31 31 THR HB H 1 4.1740 0.03 . 1 . . . A 121 THR HB . 18623 1 372 . 1 1 31 31 THR HG21 H 1 1.1660 0.04 . 1 . . . A 121 THR HG21 . 18623 1 373 . 1 1 31 31 THR HG22 H 1 1.1660 0.04 . 1 . . . A 121 THR HG22 . 18623 1 374 . 1 1 31 31 THR HG23 H 1 1.1660 0.04 . 1 . . . A 121 THR HG23 . 18623 1 375 . 1 1 31 31 THR C C 13 175.8754 0.09 . 1 . . . A 121 THR C . 18623 1 376 . 1 1 31 31 THR CA C 13 64.2052 0.40 . 1 . 11000 . A 121 THR CA . 18623 1 377 . 1 1 31 31 THR CB C 13 67.0474 0.40 . 1 . 11759 . A 121 THR CB . 18623 1 378 . 1 1 31 31 THR CG2 C 13 23.0770 0.35 . 1 . . . A 121 THR CG2 . 18623 1 379 . 1 1 31 31 THR N N 15 128.2915 0.05 . 1 . 11347 . A 121 THR N . 18623 1 380 . 1 1 32 32 ASP H H 1 7.4512 0.01 . 1 . 11766 . A 122 ASP H . 18623 1 381 . 1 1 32 32 ASP HA H 1 4.5710 0.03 . 1 . . . A 122 ASP HA . 18623 1 382 . 1 1 32 32 ASP HB2 H 1 2.6630 0.04 . 2 . . . A 122 ASP HB2 . 18623 1 383 . 1 1 32 32 ASP C C 13 176.9627 0.09 . 1 . . . A 122 ASP C . 18623 1 384 . 1 1 32 32 ASP CA C 13 56.1276 0.40 . 1 . 11768 . A 122 ASP CA . 18623 1 385 . 1 1 32 32 ASP CB C 13 41.0031 0.40 . 1 . 11771 . A 122 ASP CB . 18623 1 386 . 1 1 32 32 ASP N N 15 120.4355 0.05 . 1 . 11767 . A 122 ASP N . 18623 1 387 . 1 1 33 33 ILE H H 1 6.8873 0.01 . 1 . 12318 . A 123 ILE H . 18623 1 388 . 1 1 33 33 ILE HA H 1 4.7670 0.03 . 1 . . . A 123 ILE HA . 18623 1 389 . 1 1 33 33 ILE HB H 1 1.7610 0.03 . 1 . . . A 123 ILE HB . 18623 1 390 . 1 1 33 33 ILE HG12 H 1 1.3200 0.04 . 2 . . . A 123 ILE HG12 . 18623 1 391 . 1 1 33 33 ILE HG13 H 1 1.3900 0.04 . 2 . . . A 123 ILE HG13 . 18623 1 392 . 1 1 33 33 ILE HG21 H 1 0.6700 0.04 . 1 . . . A 123 ILE HG21 . 18623 1 393 . 1 1 33 33 ILE HG22 H 1 0.6700 0.04 . 1 . . . A 123 ILE HG22 . 18623 1 394 . 1 1 33 33 ILE HG23 H 1 0.6700 0.04 . 1 . . . A 123 ILE HG23 . 18623 1 395 . 1 1 33 33 ILE HD11 H 1 0.5400 0.04 . 1 . . . A 123 ILE HD11 . 18623 1 396 . 1 1 33 33 ILE HD12 H 1 0.5400 0.04 . 1 . . . A 123 ILE HD12 . 18623 1 397 . 1 1 33 33 ILE HD13 H 1 0.5400 0.04 . 1 . . . A 123 ILE HD13 . 18623 1 398 . 1 1 33 33 ILE C C 13 177.1889 0.09 . 1 . . . A 123 ILE C . 18623 1 399 . 1 1 33 33 ILE CA C 13 61.2388 0.40 . 1 . 12317 . A 123 ILE CA . 18623 1 400 . 1 1 33 33 ILE CB C 13 40.6858 0.40 . 1 . 12320 . A 123 ILE CB . 18623 1 401 . 1 1 33 33 ILE CG1 C 13 27.3360 0.35 . 1 . . . A 123 ILE CG1 . 18623 1 402 . 1 1 33 33 ILE CG2 C 13 17.0600 0.35 . 1 . . . A 123 ILE CG2 . 18623 1 403 . 1 1 33 33 ILE CD1 C 13 14.0580 0.35 . 1 . . . A 123 ILE CD1 . 18623 1 404 . 1 1 33 33 ILE N N 15 111.1755 0.05 . 1 . 12319 . A 123 ILE N . 18623 1 405 . 1 1 34 34 ILE H H 1 7.6074 0.01 . 1 . 11748 . A 124 ILE H . 18623 1 406 . 1 1 34 34 ILE HA H 1 3.6850 0.03 . 1 . . . A 124 ILE HA . 18623 1 407 . 1 1 34 34 ILE HB H 1 1.8670 0.03 . 1 . . . A 124 ILE HB . 18623 1 408 . 1 1 34 34 ILE HG12 H 1 1.1900 0.04 . 2 . . . A 124 ILE HG12 . 18623 1 409 . 1 1 34 34 ILE HG13 H 1 1.2400 0.04 . 2 . . . A 124 ILE HG13 . 18623 1 410 . 1 1 34 34 ILE HG21 H 1 0.8710 0.04 . 1 . . . A 124 ILE HG21 . 18623 1 411 . 1 1 34 34 ILE HG22 H 1 0.8710 0.04 . 1 . . . A 124 ILE HG22 . 18623 1 412 . 1 1 34 34 ILE HG23 H 1 0.8710 0.04 . 1 . . . A 124 ILE HG23 . 18623 1 413 . 1 1 34 34 ILE HD11 H 1 0.7400 0.04 . 1 . . . A 124 ILE HD11 . 18623 1 414 . 1 1 34 34 ILE HD12 H 1 0.7400 0.04 . 1 . . . A 124 ILE HD12 . 18623 1 415 . 1 1 34 34 ILE HD13 H 1 0.7400 0.04 . 1 . . . A 124 ILE HD13 . 18623 1 416 . 1 1 34 34 ILE C C 13 177.4228 0.09 . 1 . . . A 124 ILE C . 18623 1 417 . 1 1 34 34 ILE CA C 13 64.2640 0.40 . 1 . 11195 . A 124 ILE CA . 18623 1 418 . 1 1 34 34 ILE CB C 13 37.6979 0.40 . 1 . 11753 . A 124 ILE CB . 18623 1 419 . 1 1 34 34 ILE CD1 C 13 14.6400 0.35 . 1 . . . A 124 ILE CD1 . 18623 1 420 . 1 1 34 34 ILE N N 15 120.5857 0.05 . 1 . 11749 . A 124 ILE N . 18623 1 421 . 1 1 35 35 SER H H 1 8.2438 0.01 . 1 . 12123 . A 125 SER H . 18623 1 422 . 1 1 35 35 SER HA H 1 4.1800 0.03 . 1 . . . A 125 SER HA . 18623 1 423 . 1 1 35 35 SER HB2 H 1 3.8500 0.04 . 2 . . . A 125 SER HB2 . 18623 1 424 . 1 1 35 35 SER C C 13 176.4901 0.09 . 1 . . . A 125 SER C . 18623 1 425 . 1 1 35 35 SER CA C 13 61.3200 0.40 . 1 . . . A 125 SER CA . 18623 1 426 . 1 1 35 35 SER CB C 13 62.4050 0.40 . 1 . 11819 . A 125 SER CB . 18623 1 427 . 1 1 35 35 SER N N 15 116.9435 0.05 . 1 . 12124 . A 125 SER N . 18623 1 428 . 1 1 36 36 ASP H H 1 7.6567 0.01 . 1 . 11820 . A 126 ASP H . 18623 1 429 . 1 1 36 36 ASP HA H 1 4.7210 0.03 . 1 . . . A 126 ASP HA . 18623 1 430 . 1 1 36 36 ASP HB2 H 1 2.8760 0.04 . 2 . . . A 126 ASP HB2 . 18623 1 431 . 1 1 36 36 ASP HB3 H 1 2.6330 0.04 . 2 . . . A 126 ASP HB3 . 18623 1 432 . 1 1 36 36 ASP C C 13 176.7328 0.09 . 1 . . . A 126 ASP C . 18623 1 433 . 1 1 36 36 ASP CA C 13 55.5658 0.40 . 1 . 11984 . A 126 ASP CA . 18623 1 434 . 1 1 36 36 ASP CB C 13 41.2493 0.40 . 1 . 11825 . A 126 ASP CB . 18623 1 435 . 1 1 36 36 ASP N N 15 119.8055 0.05 . 1 . 11821 . A 126 ASP N . 18623 1 436 . 1 1 37 37 LEU H H 1 7.5166 0.01 . 1 . 11826 . A 127 LEU H . 18623 1 437 . 1 1 37 37 LEU HA H 1 4.6420 0.03 . 1 . . . A 127 LEU HA . 18623 1 438 . 1 1 37 37 LEU HB2 H 1 1.6130 0.04 . 2 . . . A 127 LEU HB2 . 18623 1 439 . 1 1 37 37 LEU HB3 H 1 1.6700 0.04 . 2 . . . A 127 LEU HB3 . 18623 1 440 . 1 1 37 37 LEU HG H 1 1.6720 0.04 . 1 . . . A 127 LEU HG . 18623 1 441 . 1 1 37 37 LEU HD11 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD11 . 18623 1 442 . 1 1 37 37 LEU HD12 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD12 . 18623 1 443 . 1 1 37 37 LEU HD13 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD13 . 18623 1 444 . 1 1 37 37 LEU HD21 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD21 . 18623 1 445 . 1 1 37 37 LEU HD22 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD22 . 18623 1 446 . 1 1 37 37 LEU HD23 H 1 0.7060 0.04 . 2 . . . A 127 LEU HD23 . 18623 1 447 . 1 1 37 37 LEU C C 13 177.5212 0.09 . 1 . . . A 127 LEU C . 18623 1 448 . 1 1 37 37 LEU CA C 13 53.9619 0.40 . 1 . 11828 . A 127 LEU CA . 18623 1 449 . 1 1 37 37 LEU CB C 13 41.9128 0.40 . 1 . 12194 . A 127 LEU CB . 18623 1 450 . 1 1 37 37 LEU CG C 13 26.7480 0.35 . 1 . . . A 127 LEU CG . 18623 1 451 . 1 1 37 37 LEU CD1 C 13 26.7480 0.35 . 2 . . . A 127 LEU CD1 . 18623 1 452 . 1 1 37 37 LEU CD2 C 13 22.4740 0.35 . 2 . . . A 127 LEU CD2 . 18623 1 453 . 1 1 37 37 LEU N N 15 119.0068 0.05 . 1 . 11827 . A 127 LEU N . 18623 1 454 . 1 1 38 38 SER H H 1 7.5657 0.01 . 1 . 12507 . A 128 SER H . 18623 1 455 . 1 1 38 38 SER HA H 1 3.9940 0.03 . 1 . . . A 128 SER HA . 18623 1 456 . 1 1 38 38 SER HB2 H 1 3.9940 0.04 . 2 . . . A 128 SER HB2 . 18623 1 457 . 1 1 38 38 SER C C 13 175.5145 0.09 . 1 . . . A 128 SER C . 18623 1 458 . 1 1 38 38 SER CA C 13 62.1480 0.40 . 1 . 12188 . A 128 SER CA . 18623 1 459 . 1 1 38 38 SER CB C 13 63.2487 0.40 . 1 . 11045 . A 128 SER CB . 18623 1 460 . 1 1 38 38 SER N N 15 116.2015 0.05 . 1 . 12508 . A 128 SER N . 18623 1 461 . 1 1 39 39 GLU H H 1 8.6377 0.01 . 1 . 11844 . A 129 GLU H . 18623 1 462 . 1 1 39 39 GLU HA H 1 4.3910 0.03 . 1 . . . A 129 GLU HA . 18623 1 463 . 1 1 39 39 GLU HB2 H 1 2.1400 0.04 . 2 . . . A 129 GLU HB2 . 18623 1 464 . 1 1 39 39 GLU HB3 H 1 1.8610 0.04 . 2 . . . A 129 GLU HB3 . 18623 1 465 . 1 1 39 39 GLU HG2 H 1 2.3150 0.04 . 2 . . . A 129 GLU HG2 . 18623 1 466 . 1 1 39 39 GLU HG3 H 1 2.1920 0.04 . 2 . . . A 129 GLU HG3 . 18623 1 467 . 1 1 39 39 GLU C C 13 177.5278 0.09 . 1 . . . A 129 GLU C . 18623 1 468 . 1 1 39 39 GLU CA C 13 56.9974 0.40 . 1 . 11240 . A 129 GLU CA . 18623 1 469 . 1 1 39 39 GLU CB C 13 29.1401 0.40 . 1 . 11879 . A 129 GLU CB . 18623 1 470 . 1 1 39 39 GLU CG C 13 36.5470 0.35 . 1 . . . A 129 GLU CG . 18623 1 471 . 1 1 39 39 GLU N N 15 118.3562 0.05 . 1 . 11845 . A 129 GLU N . 18623 1 472 . 1 1 40 40 CYS H H 1 8.1002 0.01 . 1 . 12210 . A 130 CYS H . 18623 1 473 . 1 1 40 40 CYS HA H 1 4.5360 0.03 . 1 . . . A 130 CYS HA . 18623 1 474 . 1 1 40 40 CYS HB2 H 1 2.9470 0.04 . 2 . . . A 130 CYS HB2 . 18623 1 475 . 1 1 40 40 CYS HB3 H 1 2.7950 0.04 . 2 . . . A 130 CYS HB3 . 18623 1 476 . 1 1 40 40 CYS C C 13 172.9440 0.09 . 1 . . . A 130 CYS C . 18623 1 477 . 1 1 40 40 CYS CA C 13 59.5310 0.40 . 1 . 12209 . A 130 CYS CA . 18623 1 478 . 1 1 40 40 CYS CB C 13 29.4623 0.40 . 1 . 11717 . A 130 CYS CB . 18623 1 479 . 1 1 40 40 CYS N N 15 114.8884 0.05 . 1 . 12211 . A 130 CYS N . 18623 1 480 . 1 1 41 41 LEU H H 1 7.3720 0.01 . 1 . 11706 . A 131 LEU H . 18623 1 481 . 1 1 41 41 LEU HA H 1 4.6860 0.03 . 1 . . . A 131 LEU HA . 18623 1 482 . 1 1 41 41 LEU HB2 H 1 1.4920 0.04 . 2 . . . A 131 LEU HB2 . 18623 1 483 . 1 1 41 41 LEU HB3 H 1 1.4070 0.04 . 2 . . . A 131 LEU HB3 . 18623 1 484 . 1 1 41 41 LEU HG H 1 1.4990 0.04 . 1 . . . A 131 LEU HG . 18623 1 485 . 1 1 41 41 LEU HD11 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD11 . 18623 1 486 . 1 1 41 41 LEU HD12 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD12 . 18623 1 487 . 1 1 41 41 LEU HD13 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD13 . 18623 1 488 . 1 1 41 41 LEU HD21 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD21 . 18623 1 489 . 1 1 41 41 LEU HD22 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD22 . 18623 1 490 . 1 1 41 41 LEU HD23 H 1 0.5940 0.04 . 2 . . . A 131 LEU HD23 . 18623 1 491 . 1 1 41 41 LEU C C 13 176.2178 0.09 . 1 . . . A 131 LEU C . 18623 1 492 . 1 1 41 41 LEU CA C 13 53.5894 0.40 . 1 . 12095 . A 131 LEU CA . 18623 1 493 . 1 1 41 41 LEU CB C 13 44.7969 0.40 . 1 . 11186 . A 131 LEU CB . 18623 1 494 . 1 1 41 41 LEU CG C 13 26.5370 0.35 . 1 . . . A 131 LEU CG . 18623 1 495 . 1 1 41 41 LEU CD1 C 13 26.5370 0.35 . 2 . . . A 131 LEU CD1 . 18623 1 496 . 1 1 41 41 LEU CD2 C 13 23.0130 0.35 . 2 . . . A 131 LEU CD2 . 18623 1 497 . 1 1 41 41 LEU N N 15 121.4172 0.05 . 1 . 11707 . A 131 LEU N . 18623 1 498 . 1 1 42 42 ILE H H 1 8.4452 0.01 . 1 . 12096 . A 132 ILE H . 18623 1 499 . 1 1 42 42 ILE HA H 1 4.4890 0.03 . 1 . . . A 132 ILE HA . 18623 1 500 . 1 1 42 42 ILE HB H 1 1.9980 0.03 . 1 . . . A 132 ILE HB . 18623 1 501 . 1 1 42 42 ILE HG12 H 1 1.2800 0.04 . 2 . . . A 132 ILE HG12 . 18623 1 502 . 1 1 42 42 ILE HG21 H 1 0.9700 0.04 . 1 . . . A 132 ILE HG21 . 18623 1 503 . 1 1 42 42 ILE HG22 H 1 0.9700 0.04 . 1 . . . A 132 ILE HG22 . 18623 1 504 . 1 1 42 42 ILE HG23 H 1 0.9700 0.04 . 1 . . . A 132 ILE HG23 . 18623 1 505 . 1 1 42 42 ILE HD11 H 1 0.8847 0.04 . 1 . . . A 132 ILE HD11 . 18623 1 506 . 1 1 42 42 ILE HD12 H 1 0.8847 0.04 . 1 . . . A 132 ILE HD12 . 18623 1 507 . 1 1 42 42 ILE HD13 H 1 0.8847 0.04 . 1 . . . A 132 ILE HD13 . 18623 1 508 . 1 1 42 42 ILE C C 13 178.1899 0.09 . 1 . . . A 132 ILE C . 18623 1 509 . 1 1 42 42 ILE CA C 13 60.6054 0.40 . 1 . 10823 . A 132 ILE CA . 18623 1 510 . 1 1 42 42 ILE CB C 13 39.5394 0.40 . 1 . 10829 . A 132 ILE CB . 18623 1 511 . 1 1 42 42 ILE CG1 C 13 26.3580 0.35 . 1 . . . A 132 ILE CG1 . 18623 1 512 . 1 1 42 42 ILE CG2 C 13 17.6080 0.35 . 1 . . . A 132 ILE CG2 . 18623 1 513 . 1 1 42 42 ILE CD1 C 13 12.9860 0.35 . 1 . . . A 132 ILE CD1 . 18623 1 514 . 1 1 42 42 ILE N N 15 116.8662 0.05 . 1 . 12097 . A 132 ILE N . 18623 1 515 . 1 1 43 43 ASN H H 1 9.0445 0.01 . 1 . 11457 . A 133 ASN H . 18623 1 516 . 1 1 43 43 ASN HA H 1 4.2400 0.03 . 1 . . . A 133 ASN HA . 18623 1 517 . 1 1 43 43 ASN HB2 H 1 2.8280 0.04 . 2 . . . A 133 ASN HB2 . 18623 1 518 . 1 1 43 43 ASN HB3 H 1 2.7500 0.04 . 2 . . . A 133 ASN HB3 . 18623 1 519 . 1 1 43 43 ASN C C 13 177.2228 0.09 . 1 . . . A 133 ASN C . 18623 1 520 . 1 1 43 43 ASN CA C 13 57.6794 0.40 . 1 . 11459 . A 133 ASN CA . 18623 1 521 . 1 1 43 43 ASN CB C 13 38.0652 0.40 . 1 . 11465 . A 133 ASN CB . 18623 1 522 . 1 1 43 43 ASN N N 15 123.7892 0.05 . 1 . 11458 . A 133 ASN N . 18623 1 523 . 1 1 44 44 GLN H H 1 8.8326 0.01 . 1 . 11835 . A 134 GLN H . 18623 1 524 . 1 1 44 44 GLN HA H 1 4.0970 0.03 . 1 . . . A 134 GLN HA . 18623 1 525 . 1 1 44 44 GLN HB2 H 1 2.0030 0.04 . 2 . . . A 134 GLN HB2 . 18623 1 526 . 1 1 44 44 GLN HG2 H 1 2.3740 0.04 . 2 . . . A 134 GLN HG2 . 18623 1 527 . 1 1 44 44 GLN C C 13 178.2595 0.09 . 1 . . . A 134 GLN C . 18623 1 528 . 1 1 44 44 GLN CA C 13 58.8972 0.40 . 1 . 11831 . A 134 GLN CA . 18623 1 529 . 1 1 44 44 GLN CB C 13 28.4809 0.40 . 1 . 11837 . A 134 GLN CB . 18623 1 530 . 1 1 44 44 GLN CG C 13 34.2000 0.35 . 1 . . . A 134 GLN CG . 18623 1 531 . 1 1 44 44 GLN N N 15 118.3680 0.05 . 1 . 11836 . A 134 GLN N . 18623 1 532 . 1 1 45 45 GLU H H 1 7.2569 0.01 . 1 . 12000 . A 135 GLU H . 18623 1 533 . 1 1 45 45 GLU HA H 1 4.0360 0.03 . 1 . . . A 135 GLU HA . 18623 1 534 . 1 1 45 45 GLU HB2 H 1 2.3280 0.04 . 2 . . . A 135 GLU HB2 . 18623 1 535 . 1 1 45 45 GLU HB3 H 1 2.0070 0.04 . 2 . . . A 135 GLU HB3 . 18623 1 536 . 1 1 45 45 GLU HG2 H 1 2.2550 0.04 . 2 . . . A 135 GLU HG2 . 18623 1 537 . 1 1 45 45 GLU HG3 H 1 2.3200 0.04 . 2 . . . A 135 GLU HG3 . 18623 1 538 . 1 1 45 45 GLU C C 13 178.5911 0.09 . 1 . . . A 135 GLU C . 18623 1 539 . 1 1 45 45 GLU CA C 13 59.1817 0.40 . 1 . 11978 . A 135 GLU CA . 18623 1 540 . 1 1 45 45 GLU CB C 13 29.7143 0.40 . 1 . 11171 . A 135 GLU CB . 18623 1 541 . 1 1 45 45 GLU CG C 13 37.8150 0.35 . 1 . . . A 135 GLU CG . 18623 1 542 . 1 1 45 45 GLU N N 15 118.5590 0.05 . 1 . 12001 . A 135 GLU N . 18623 1 543 . 1 1 46 46 CYS H H 1 7.8330 0.01 . 1 . 12060 . A 136 CYS H . 18623 1 544 . 1 1 46 46 CYS HA H 1 3.7820 0.03 . 1 . . . A 136 CYS HA . 18623 1 545 . 1 1 46 46 CYS HB2 H 1 3.0980 0.04 . 2 . . . A 136 CYS HB2 . 18623 1 546 . 1 1 46 46 CYS HB3 H 1 2.6620 0.04 . 2 . . . A 136 CYS HB3 . 18623 1 547 . 1 1 46 46 CYS C C 13 176.2497 0.09 . 1 . . . A 136 CYS C . 18623 1 548 . 1 1 46 46 CYS CA C 13 63.9020 0.40 . 1 . 12017 . A 136 CYS CA . 18623 1 549 . 1 1 46 46 CYS CB C 13 26.3848 0.40 . 1 . 11165 . A 136 CYS CB . 18623 1 550 . 1 1 46 46 CYS N N 15 117.6492 0.05 . 1 . 12061 . A 136 CYS N . 18623 1 551 . 1 1 47 47 GLU H H 1 8.1148 0.01 . 1 . 12048 . A 137 GLU H . 18623 1 552 . 1 1 47 47 GLU HA H 1 3.8300 0.03 . 1 . . . A 137 GLU HA . 18623 1 553 . 1 1 47 47 GLU HB2 H 1 1.9510 0.04 . 2 . . . A 137 GLU HB2 . 18623 1 554 . 1 1 47 47 GLU HG2 H 1 2.2760 0.04 . 2 . . . A 137 GLU HG2 . 18623 1 555 . 1 1 47 47 GLU HG3 H 1 2.1660 0.04 . 2 . . . A 137 GLU HG3 . 18623 1 556 . 1 1 47 47 GLU C C 13 179.2121 0.09 . 1 . . . A 137 GLU C . 18623 1 557 . 1 1 47 47 GLU CA C 13 59.5820 0.40 . 1 . 12023 . A 137 GLU CA . 18623 1 558 . 1 1 47 47 GLU CB C 13 29.2659 0.40 . 1 . 12047 . A 137 GLU CB . 18623 1 559 . 1 1 47 47 GLU CG C 13 36.5360 0.35 . 1 . . . A 137 GLU CG . 18623 1 560 . 1 1 47 47 GLU N N 15 117.7599 0.05 . 1 . 12049 . A 137 GLU N . 18623 1 561 . 1 1 48 48 GLU H H 1 7.9412 0.01 . 1 . 11703 . A 138 GLU H . 18623 1 562 . 1 1 48 48 GLU HA H 1 3.9770 0.03 . 1 . . . A 138 GLU HA . 18623 1 563 . 1 1 48 48 GLU HB2 H 1 2.0900 0.04 . 2 . . . A 138 GLU HB2 . 18623 1 564 . 1 1 48 48 GLU HB3 H 1 1.9840 0.04 . 2 . . . A 138 GLU HB3 . 18623 1 565 . 1 1 48 48 GLU HG2 H 1 2.3600 0.04 . 2 . . . A 138 GLU HG2 . 18623 1 566 . 1 1 48 48 GLU C C 13 179.0252 0.09 . 1 . . . A 138 GLU C . 18623 1 567 . 1 1 48 48 GLU CA C 13 59.7528 0.40 . 1 . 11702 . A 138 GLU CA . 18623 1 568 . 1 1 48 48 GLU CB C 13 29.7257 0.40 . 1 . 11024 . A 138 GLU CB . 18623 1 569 . 1 1 48 48 GLU CG C 13 36.4400 0.35 . 1 . . . A 138 GLU CG . 18623 1 570 . 1 1 48 48 GLU N N 15 121.0882 0.05 . 1 . 11704 . A 138 GLU N . 18623 1 571 . 1 1 49 49 ILE H H 1 8.3513 0.01 . 1 . 12408 . A 139 ILE H . 18623 1 572 . 1 1 49 49 ILE HA H 1 3.3420 0.03 . 1 . . . A 139 ILE HA . 18623 1 573 . 1 1 49 49 ILE HB H 1 1.8200 0.03 . 1 . . . A 139 ILE HB . 18623 1 574 . 1 1 49 49 ILE HG12 H 1 0.8000 0.04 . 2 . . . A 139 ILE HG12 . 18623 1 575 . 1 1 49 49 ILE HG13 H 1 1.0700 0.04 . 2 . . . A 139 ILE HG13 . 18623 1 576 . 1 1 49 49 ILE HG21 H 1 0.6610 0.04 . 1 . . . A 139 ILE HG21 . 18623 1 577 . 1 1 49 49 ILE HG22 H 1 0.6610 0.04 . 1 . . . A 139 ILE HG22 . 18623 1 578 . 1 1 49 49 ILE HG23 H 1 0.6610 0.04 . 1 . . . A 139 ILE HG23 . 18623 1 579 . 1 1 49 49 ILE HD11 H 1 0.7690 0.04 . 1 . . . A 139 ILE HD11 . 18623 1 580 . 1 1 49 49 ILE HD12 H 1 0.7690 0.04 . 1 . . . A 139 ILE HD12 . 18623 1 581 . 1 1 49 49 ILE HD13 H 1 0.7690 0.04 . 1 . . . A 139 ILE HD13 . 18623 1 582 . 1 1 49 49 ILE C C 13 178.4871 0.09 . 1 . . . A 139 ILE C . 18623 1 583 . 1 1 49 49 ILE CA C 13 66.3944 0.40 . 1 . 11729 . A 139 ILE CA . 18623 1 584 . 1 1 49 49 ILE CB C 13 38.6564 0.40 . 1 . 11798 . A 139 ILE CB . 18623 1 585 . 1 1 49 49 ILE CG2 C 13 18.1370 0.35 . 1 . . . A 139 ILE CG2 . 18623 1 586 . 1 1 49 49 ILE CD1 C 13 13.7700 0.35 . 1 . . . A 139 ILE CD1 . 18623 1 587 . 1 1 49 49 ILE N N 15 119.5407 0.05 . 1 . 12409 . A 139 ILE N . 18623 1 588 . 1 1 50 50 LEU H H 1 8.1709 0.01 . 1 . 10980 . A 140 LEU H . 18623 1 589 . 1 1 50 50 LEU HA H 1 3.8320 0.03 . 1 . . . A 140 LEU HA . 18623 1 590 . 1 1 50 50 LEU HB2 H 1 1.8250 0.04 . 2 . . . A 140 LEU HB2 . 18623 1 591 . 1 1 50 50 LEU HB3 H 1 1.4350 0.04 . 2 . . . A 140 LEU HB3 . 18623 1 592 . 1 1 50 50 LEU HG H 1 1.7770 0.04 . 1 . . . A 140 LEU HG . 18623 1 593 . 1 1 50 50 LEU HD11 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD11 . 18623 1 594 . 1 1 50 50 LEU HD12 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD12 . 18623 1 595 . 1 1 50 50 LEU HD13 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD13 . 18623 1 596 . 1 1 50 50 LEU HD21 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD21 . 18623 1 597 . 1 1 50 50 LEU HD22 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD22 . 18623 1 598 . 1 1 50 50 LEU HD23 H 1 0.7840 0.04 . 2 . . . A 140 LEU HD23 . 18623 1 599 . 1 1 50 50 LEU C C 13 179.8190 0.09 . 1 . . . A 140 LEU C . 18623 1 600 . 1 1 50 50 LEU CA C 13 58.7885 0.40 . 1 . 11732 . A 140 LEU CA . 18623 1 601 . 1 1 50 50 LEU CB C 13 41.0686 0.40 . 1 . 11735 . A 140 LEU CB . 18623 1 602 . 1 1 50 50 LEU CG C 13 26.6310 0.35 . 1 . . . A 140 LEU CG . 18623 1 603 . 1 1 50 50 LEU CD1 C 13 24.5810 0.35 . 2 . . . A 140 LEU CD1 . 18623 1 604 . 1 1 50 50 LEU CD2 C 13 23.6060 0.35 . 2 . . . A 140 LEU CD2 . 18623 1 605 . 1 1 50 50 LEU N N 15 120.5964 0.05 . 1 . 10981 . A 140 LEU N . 18623 1 606 . 1 1 51 51 GLN H H 1 8.2348 0.01 . 1 . 11640 . A 141 GLN H . 18623 1 607 . 1 1 51 51 GLN HA H 1 4.0450 0.03 . 1 . . . A 141 GLN HA . 18623 1 608 . 1 1 51 51 GLN HB2 H 1 2.1540 0.04 . 2 . . . A 141 GLN HB2 . 18623 1 609 . 1 1 51 51 GLN HG2 H 1 2.3730 0.04 . 2 . . . A 141 GLN HG2 . 18623 1 610 . 1 1 51 51 GLN HG3 H 1 2.4400 0.04 . 2 . . . A 141 GLN HG3 . 18623 1 611 . 1 1 51 51 GLN C C 13 179.7721 0.09 . 1 . . . A 141 GLN C . 18623 1 612 . 1 1 51 51 GLN CA C 13 59.1598 0.40 . 1 . 10859 . A 141 GLN CA . 18623 1 613 . 1 1 51 51 GLN CB C 13 27.6421 0.40 . 1 . 11696 . A 141 GLN CB . 18623 1 614 . 1 1 51 51 GLN CG C 13 33.4140 0.35 . 1 . . . A 141 GLN CG . 18623 1 615 . 1 1 51 51 GLN N N 15 121.4268 0.05 . 1 . 11641 . A 141 GLN N . 18623 1 616 . 1 1 52 52 ILE H H 1 8.4988 0.01 . 1 . 11523 . A 142 ILE H . 18623 1 617 . 1 1 52 52 ILE HA H 1 3.6110 0.03 . 1 . . . A 142 ILE HA . 18623 1 618 . 1 1 52 52 ILE HB H 1 1.8640 0.03 . 1 . . . A 142 ILE HB . 18623 1 619 . 1 1 52 52 ILE HG12 H 1 1.0800 0.04 . 2 . . . A 142 ILE HG12 . 18623 1 620 . 1 1 52 52 ILE HG21 H 1 0.7600 0.04 . 1 . . . A 142 ILE HG21 . 18623 1 621 . 1 1 52 52 ILE HG22 H 1 0.7600 0.04 . 1 . . . A 142 ILE HG22 . 18623 1 622 . 1 1 52 52 ILE HG23 H 1 0.7600 0.04 . 1 . . . A 142 ILE HG23 . 18623 1 623 . 1 1 52 52 ILE HD11 H 1 0.7600 0.04 . 1 . . . A 142 ILE HD11 . 18623 1 624 . 1 1 52 52 ILE HD12 H 1 0.7600 0.04 . 1 . . . A 142 ILE HD12 . 18623 1 625 . 1 1 52 52 ILE HD13 H 1 0.7600 0.04 . 1 . . . A 142 ILE HD13 . 18623 1 626 . 1 1 52 52 ILE C C 13 178.8161 0.09 . 1 . . . A 142 ILE C . 18623 1 627 . 1 1 52 52 ILE CA C 13 65.2960 0.40 . 1 . 11510 . A 142 ILE CA . 18623 1 628 . 1 1 52 52 ILE CB C 13 38.0026 0.40 . 1 . 11519 . A 142 ILE CB . 18623 1 629 . 1 1 52 52 ILE CG1 C 13 29.1000 0.35 . 1 . . . A 142 ILE CG1 . 18623 1 630 . 1 1 52 52 ILE CG2 C 13 17.5870 0.35 . 1 . . . A 142 ILE CG2 . 18623 1 631 . 1 1 52 52 ILE N N 15 122.9648 0.05 . 1 . 11524 . A 142 ILE N . 18623 1 632 . 1 1 53 53 CYS H H 1 8.5620 0.01 . 1 . 12447 . A 143 CYS H . 18623 1 633 . 1 1 53 53 CYS HA H 1 4.0970 0.03 . 1 . . . A 143 CYS HA . 18623 1 634 . 1 1 53 53 CYS HB2 H 1 3.1870 0.04 . 2 . . . A 143 CYS HB2 . 18623 1 635 . 1 1 53 53 CYS HB3 H 1 2.8150 0.04 . 2 . . . A 143 CYS HB3 . 18623 1 636 . 1 1 53 53 CYS C C 13 177.0165 0.09 . 1 . . . A 143 CYS C . 18623 1 637 . 1 1 53 53 CYS CA C 13 63.8416 0.40 . 1 . 11840 . A 143 CYS CA . 18623 1 638 . 1 1 53 53 CYS CB C 13 27.0738 0.40 . 1 . 11882 . A 143 CYS CB . 18623 1 639 . 1 1 53 53 CYS N N 15 118.8043 0.05 . 1 . 12448 . A 143 CYS N . 18623 1 640 . 1 1 54 54 SER H H 1 7.6634 0.01 . 1 . 12312 . A 144 SER H . 18623 1 641 . 1 1 54 54 SER HA H 1 4.1960 0.03 . 1 . . . A 144 SER HA . 18623 1 642 . 1 1 54 54 SER HB2 H 1 3.9460 0.04 . 2 . . . A 144 SER HB2 . 18623 1 643 . 1 1 54 54 SER HB3 H 1 3.9600 0.04 . 2 . . . A 144 SER HB3 . 18623 1 644 . 1 1 54 54 SER C C 13 175.1121 0.09 . 1 . . . A 144 SER C . 18623 1 645 . 1 1 54 54 SER CA C 13 60.9566 0.40 . 1 . 12299 . A 144 SER CA . 18623 1 646 . 1 1 54 54 SER CB C 13 63.7021 0.40 . 1 . 12296 . A 144 SER CB . 18623 1 647 . 1 1 54 54 SER N N 15 111.7616 0.05 . 1 . 12313 . A 144 SER N . 18623 1 648 . 1 1 55 55 THR H H 1 7.8782 0.01 . 1 . 12309 . A 145 THR H . 18623 1 649 . 1 1 55 55 THR HA H 1 4.3480 0.03 . 1 . . . A 145 THR HA . 18623 1 650 . 1 1 55 55 THR HB H 1 4.0960 0.03 . 1 . . . A 145 THR HB . 18623 1 651 . 1 1 55 55 THR HG21 H 1 1.2280 0.04 . 1 . . . A 145 THR HG21 . 18623 1 652 . 1 1 55 55 THR HG22 H 1 1.2280 0.04 . 1 . . . A 145 THR HG22 . 18623 1 653 . 1 1 55 55 THR HG23 H 1 1.2280 0.04 . 1 . . . A 145 THR HG23 . 18623 1 654 . 1 1 55 55 THR C C 13 175.8442 0.09 . 1 . . . A 145 THR C . 18623 1 655 . 1 1 55 55 THR CA C 13 63.3913 0.40 . 1 . 11582 . A 145 THR CA . 18623 1 656 . 1 1 55 55 THR CB C 13 70.3493 0.40 . 1 . 10895 . A 145 THR CB . 18623 1 657 . 1 1 55 55 THR CG2 C 13 22.3430 0.35 . 1 . . . A 145 THR CG2 . 18623 1 658 . 1 1 55 55 THR N N 15 110.9687 0.05 . 1 . 12310 . A 145 THR N . 18623 1 659 . 1 1 56 56 LYS H H 1 8.8986 0.01 . 1 . 11580 . A 146 LYS H . 18623 1 660 . 1 1 56 56 LYS HA H 1 4.5110 0.03 . 1 . . . A 146 LYS HA . 18623 1 661 . 1 1 56 56 LYS HB2 H 1 1.8190 0.04 . 2 . . . A 146 LYS HB2 . 18623 1 662 . 1 1 56 56 LYS HB3 H 1 1.7120 0.04 . 2 . . . A 146 LYS HB3 . 18623 1 663 . 1 1 56 56 LYS HG2 H 1 1.3960 0.04 . 2 . . . A 146 LYS HG2 . 18623 1 664 . 1 1 56 56 LYS HG3 H 1 1.5200 0.04 . 2 . . . A 146 LYS HG3 . 18623 1 665 . 1 1 56 56 LYS HD2 H 1 1.6050 0.04 . 2 . . . A 146 LYS HD2 . 18623 1 666 . 1 1 56 56 LYS HD3 H 1 1.5450 0.04 . 2 . . . A 146 LYS HD3 . 18623 1 667 . 1 1 56 56 LYS HE2 H 1 2.9220 0.04 . 2 . . . A 146 LYS HE2 . 18623 1 668 . 1 1 56 56 LYS C C 13 177.3980 0.09 . 1 . . . A 146 LYS C . 18623 1 669 . 1 1 56 56 LYS CA C 13 56.0746 0.40 . 1 . 11318 . A 146 LYS CA . 18623 1 670 . 1 1 56 56 LYS CB C 13 34.6074 0.40 . 1 . 11588 . A 146 LYS CB . 18623 1 671 . 1 1 56 56 LYS CG C 13 24.9340 0.35 . 1 . . . A 146 LYS CG . 18623 1 672 . 1 1 56 56 LYS N N 15 121.5193 0.05 . 1 . 11581 . A 146 LYS N . 18623 1 673 . 1 1 57 57 GLY H H 1 7.5400 0.01 . 1 . 12351 . A 147 GLY H . 18623 1 674 . 1 1 57 57 GLY HA2 H 1 4.6660 0.04 . 2 . . . A 147 GLY HA2 . 18623 1 675 . 1 1 57 57 GLY HA3 H 1 3.9700 0.04 . 2 . . . A 147 GLY HA3 . 18623 1 676 . 1 1 57 57 GLY C C 13 174.3340 0.09 . 1 . . . A 147 GLY C . 18623 1 677 . 1 1 57 57 GLY CA C 13 44.7122 0.40 . 1 . 11189 . A 147 GLY CA . 18623 1 678 . 1 1 57 57 GLY N N 15 109.2144 0.05 . 1 . 12352 . A 147 GLY N . 18623 1 679 . 1 1 58 58 MET H H 1 8.5992 0.01 . 1 . 12108 . A 148 MET H . 18623 1 680 . 1 1 58 58 MET HA H 1 4.2590 0.03 . 1 . . . A 148 MET HA . 18623 1 681 . 1 1 58 58 MET HB2 H 1 2.2160 0.04 . 2 . . . A 148 MET HB2 . 18623 1 682 . 1 1 58 58 MET HB3 H 1 1.9890 0.04 . 2 . . . A 148 MET HB3 . 18623 1 683 . 1 1 58 58 MET HG2 H 1 2.8560 0.04 . 2 . . . A 148 MET HG2 . 18623 1 684 . 1 1 58 58 MET HG3 H 1 2.8400 0.04 . 2 . . . A 148 MET HG3 . 18623 1 685 . 1 1 58 58 MET HE1 H 1 2.0400 0.04 . 1 . . . A 148 MET HE1 . 18623 1 686 . 1 1 58 58 MET HE2 H 1 2.0400 0.04 . 1 . . . A 148 MET HE2 . 18623 1 687 . 1 1 58 58 MET HE3 H 1 2.0400 0.04 . 1 . . . A 148 MET HE3 . 18623 1 688 . 1 1 58 58 MET C C 13 178.3333 0.09 . 1 . . . A 148 MET C . 18623 1 689 . 1 1 58 58 MET CA C 13 58.1259 0.40 . 1 . 12086 . A 148 MET CA . 18623 1 690 . 1 1 58 58 MET CB C 13 32.2762 0.40 . 1 . 12110 . A 148 MET CB . 18623 1 691 . 1 1 58 58 MET CG C 13 33.4850 0.35 . 1 . . . A 148 MET CG . 18623 1 692 . 1 1 58 58 MET CE C 13 18.4800 0.35 . 1 . . . A 148 MET CE . 18623 1 693 . 1 1 58 58 MET N N 15 116.7954 0.05 . 1 . 12109 . A 148 MET N . 18623 1 694 . 1 1 59 59 MET H H 1 8.3529 0.01 . 1 . 12450 . A 149 MET H . 18623 1 695 . 1 1 59 59 MET HA H 1 4.2770 0.03 . 1 . . . A 149 MET HA . 18623 1 696 . 1 1 59 59 MET HB2 H 1 2.0800 0.04 . 2 . . . A 149 MET HB2 . 18623 1 697 . 1 1 59 59 MET HB3 H 1 1.8880 0.04 . 2 . . . A 149 MET HB3 . 18623 1 698 . 1 1 59 59 MET HG2 H 1 2.5920 0.04 . 2 . . . A 149 MET HG2 . 18623 1 699 . 1 1 59 59 MET HG3 H 1 2.5300 0.04 . 2 . . . A 149 MET HG3 . 18623 1 700 . 1 1 59 59 MET HE1 H 1 2.0500 0.04 . 1 . . . A 149 MET HE1 . 18623 1 701 . 1 1 59 59 MET HE2 H 1 2.0500 0.04 . 1 . . . A 149 MET HE2 . 18623 1 702 . 1 1 59 59 MET HE3 H 1 2.0500 0.04 . 1 . . . A 149 MET HE3 . 18623 1 703 . 1 1 59 59 MET C C 13 178.4221 0.09 . 1 . . . A 149 MET C . 18623 1 704 . 1 1 59 59 MET CA C 13 59.7172 0.40 . 1 . 10913 . A 149 MET CA . 18623 1 705 . 1 1 59 59 MET CB C 13 32.3281 0.40 . 1 . 10925 . A 149 MET CB . 18623 1 706 . 1 1 59 59 MET CG C 13 32.0790 0.35 . 1 . . . A 149 MET CG . 18623 1 707 . 1 1 59 59 MET CE C 13 16.9500 0.35 . 1 . . . A 149 MET CE . 18623 1 708 . 1 1 59 59 MET N N 15 118.9043 0.05 . 1 . 12451 . A 149 MET N . 18623 1 709 . 1 1 60 60 ALA H H 1 8.0324 0.01 . 1 . 11643 . A 150 ALA H . 18623 1 710 . 1 1 60 60 ALA HA H 1 4.1380 0.03 . 1 . . . A 150 ALA HA . 18623 1 711 . 1 1 60 60 ALA HB1 H 1 1.2080 0.04 . 1 . . . A 150 ALA HB1 . 18623 1 712 . 1 1 60 60 ALA HB2 H 1 1.2080 0.04 . 1 . . . A 150 ALA HB2 . 18623 1 713 . 1 1 60 60 ALA HB3 H 1 1.2080 0.04 . 1 . . . A 150 ALA HB3 . 18623 1 714 . 1 1 60 60 ALA C C 13 182.0974 0.09 . 1 . . . A 150 ALA C . 18623 1 715 . 1 1 60 60 ALA CA C 13 54.5848 0.40 . 1 . 11630 . A 150 ALA CA . 18623 1 716 . 1 1 60 60 ALA CB C 13 18.4486 0.40 . 1 . 11654 . A 150 ALA CB . 18623 1 717 . 1 1 60 60 ALA N N 15 122.2075 0.05 . 1 . 11644 . A 150 ALA N . 18623 1 718 . 1 1 61 61 GLY H H 1 8.3164 0.01 . 1 . 12360 . A 151 GLY H . 18623 1 719 . 1 1 61 61 GLY HA2 H 1 4.3040 0.04 . 2 . . . A 151 GLY HA2 . 18623 1 720 . 1 1 61 61 GLY HA3 H 1 3.5210 0.04 . 2 . . . A 151 GLY HA3 . 18623 1 721 . 1 1 61 61 GLY C C 13 174.9504 0.09 . 1 . . . A 151 GLY C . 18623 1 722 . 1 1 61 61 GLY CA C 13 47.7671 0.40 . 1 . 11399 . A 151 GLY CA . 18623 1 723 . 1 1 61 61 GLY N N 15 108.4879 0.05 . 1 . 12361 . A 151 GLY N . 18623 1 724 . 1 1 62 62 ALA H H 1 8.9626 0.01 . 1 . 11397 . A 152 ALA H . 18623 1 725 . 1 1 62 62 ALA HA H 1 3.8530 0.03 . 1 . . . A 152 ALA HA . 18623 1 726 . 1 1 62 62 ALA HB1 H 1 1.5640 0.04 . 1 . . . A 152 ALA HB1 . 18623 1 727 . 1 1 62 62 ALA HB2 H 1 1.5640 0.04 . 1 . . . A 152 ALA HB2 . 18623 1 728 . 1 1 62 62 ALA HB3 H 1 1.5640 0.04 . 1 . . . A 152 ALA HB3 . 18623 1 729 . 1 1 62 62 ALA C C 13 179.2294 0.09 . 1 . . . A 152 ALA C . 18623 1 730 . 1 1 62 62 ALA CA C 13 55.6654 0.40 . 1 . 11396 . A 152 ALA CA . 18623 1 731 . 1 1 62 62 ALA CB C 13 18.4045 0.40 . 1 . 11402 . A 152 ALA CB . 18623 1 732 . 1 1 62 62 ALA N N 15 126.5892 0.05 . 1 . 11398 . A 152 ALA N . 18623 1 733 . 1 1 63 63 GLU H H 1 8.2882 0.01 . 1 . 11886 . A 153 GLU H . 18623 1 734 . 1 1 63 63 GLU HA H 1 3.7500 0.03 . 1 . . . A 153 GLU HA . 18623 1 735 . 1 1 63 63 GLU HB2 H 1 2.0760 0.04 . 2 . . . A 153 GLU HB2 . 18623 1 736 . 1 1 63 63 GLU HG2 H 1 2.3930 0.04 . 2 . . . A 153 GLU HG2 . 18623 1 737 . 1 1 63 63 GLU HG3 H 1 2.0760 0.04 . 2 . . . A 153 GLU HG3 . 18623 1 738 . 1 1 63 63 GLU C C 13 178.8249 0.09 . 1 . . . A 153 GLU C . 18623 1 739 . 1 1 63 63 GLU CA C 13 60.1374 0.40 . 1 . 11888 . A 153 GLU CA . 18623 1 740 . 1 1 63 63 GLU CB C 13 29.7467 0.40 . 1 . 12038 . A 153 GLU CB . 18623 1 741 . 1 1 63 63 GLU CG C 13 37.4380 0.35 . 1 . . . A 153 GLU CG . 18623 1 742 . 1 1 63 63 GLU N N 15 118.1969 0.05 . 1 . 11887 . A 153 GLU N . 18623 1 743 . 1 1 64 64 LYS H H 1 7.6157 0.01 . 1 . 11754 . A 154 LYS H . 18623 1 744 . 1 1 64 64 LYS HA H 1 4.1740 0.03 . 1 . . . A 154 LYS HA . 18623 1 745 . 1 1 64 64 LYS HB2 H 1 1.7970 0.04 . 2 . . . A 154 LYS HB2 . 18623 1 746 . 1 1 64 64 LYS HG2 H 1 1.5130 0.04 . 2 . . . A 154 LYS HG2 . 18623 1 747 . 1 1 64 64 LYS HG3 H 1 1.2060 0.04 . 2 . . . A 154 LYS HG3 . 18623 1 748 . 1 1 64 64 LYS HD2 H 1 1.8120 0.04 . 2 . . . A 154 LYS HD2 . 18623 1 749 . 1 1 64 64 LYS HD3 H 1 1.5700 0.04 . 2 . . . A 154 LYS HD3 . 18623 1 750 . 1 1 64 64 LYS HE2 H 1 2.5200 0.04 . 2 . . . A 154 LYS HE2 . 18623 1 751 . 1 1 64 64 LYS HE3 H 1 2.7200 0.04 . 2 . . . A 154 LYS HE3 . 18623 1 752 . 1 1 64 64 LYS C C 13 177.7816 0.09 . 1 . . . A 154 LYS C . 18623 1 753 . 1 1 64 64 LYS CA C 13 56.9292 0.40 . 1 . 11747 . A 154 LYS CA . 18623 1 754 . 1 1 64 64 LYS CB C 13 30.2816 0.40 . 1 . 12737 . A 154 LYS CB . 18623 1 755 . 1 1 64 64 LYS CG C 13 24.8140 0.35 . 1 . . . A 154 LYS CG . 18623 1 756 . 1 1 64 64 LYS CD C 13 27.6390 0.35 . 1 . . . A 154 LYS CD . 18623 1 757 . 1 1 64 64 LYS CE C 13 41.6900 0.35 . 1 . . . A 154 LYS CE . 18623 1 758 . 1 1 64 64 LYS N N 15 120.3648 0.05 . 1 . 11755 . A 154 LYS N . 18623 1 759 . 1 1 65 65 LEU H H 1 8.2789 0.01 . 1 . 11619 . A 155 LEU H . 18623 1 760 . 1 1 65 65 LEU HA H 1 3.8620 0.03 . 1 . . . A 155 LEU HA . 18623 1 761 . 1 1 65 65 LEU HB2 H 1 2.2600 0.04 . 2 . . . A 155 LEU HB2 . 18623 1 762 . 1 1 65 65 LEU HB3 H 1 1.2840 0.04 . 2 . . . A 155 LEU HB3 . 18623 1 763 . 1 1 65 65 LEU HG H 1 1.2900 0.04 . 1 . . . A 155 LEU HG . 18623 1 764 . 1 1 65 65 LEU HD11 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD11 . 18623 1 765 . 1 1 65 65 LEU HD12 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD12 . 18623 1 766 . 1 1 65 65 LEU HD13 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD13 . 18623 1 767 . 1 1 65 65 LEU HD21 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD21 . 18623 1 768 . 1 1 65 65 LEU HD22 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD22 . 18623 1 769 . 1 1 65 65 LEU HD23 H 1 0.7470 0.04 . 2 . . . A 155 LEU HD23 . 18623 1 770 . 1 1 65 65 LEU C C 13 177.3885 0.09 . 1 . . . A 155 LEU C . 18623 1 771 . 1 1 65 65 LEU CA C 13 58.5964 0.40 . 1 . 11093 . A 155 LEU CA . 18623 1 772 . 1 1 65 65 LEU CB C 13 41.1442 0.40 . 1 . 11633 . A 155 LEU CB . 18623 1 773 . 1 1 65 65 LEU CG C 13 26.2630 0.35 . 1 . . . A 155 LEU CG . 18623 1 774 . 1 1 65 65 LEU CD1 C 13 26.2630 0.35 . 2 . . . A 155 LEU CD1 . 18623 1 775 . 1 1 65 65 LEU CD2 C 13 23.7610 0.35 . 2 . . . A 155 LEU CD2 . 18623 1 776 . 1 1 65 65 LEU N N 15 121.8275 0.05 . 1 . 11620 . A 155 LEU N . 18623 1 777 . 1 1 66 66 VAL H H 1 7.9203 0.01 . 1 . 11925 . A 156 VAL H . 18623 1 778 . 1 1 66 66 VAL HA H 1 2.8180 0.03 . 1 . . . A 156 VAL HA . 18623 1 779 . 1 1 66 66 VAL HB H 1 1.9850 0.03 . 1 . . . A 156 VAL HB . 18623 1 780 . 1 1 66 66 VAL HG11 H 1 0.5700 0.04 . 2 . . . A 156 VAL HG11 . 18623 1 781 . 1 1 66 66 VAL HG12 H 1 0.5700 0.04 . 2 . . . A 156 VAL HG12 . 18623 1 782 . 1 1 66 66 VAL HG13 H 1 0.5700 0.04 . 2 . . . A 156 VAL HG13 . 18623 1 783 . 1 1 66 66 VAL HG21 H 1 0.2980 0.04 . 2 . . . A 156 VAL HG21 . 18623 1 784 . 1 1 66 66 VAL HG22 H 1 0.2980 0.04 . 2 . . . A 156 VAL HG22 . 18623 1 785 . 1 1 66 66 VAL HG23 H 1 0.2980 0.04 . 2 . . . A 156 VAL HG23 . 18623 1 786 . 1 1 66 66 VAL C C 13 176.5240 0.09 . 1 . . . A 156 VAL C . 18623 1 787 . 1 1 66 66 VAL CA C 13 67.3213 0.40 . 1 . 11924 . A 156 VAL CA . 18623 1 788 . 1 1 66 66 VAL CB C 13 30.8933 0.40 . 1 . 11948 . A 156 VAL CB . 18623 1 789 . 1 1 66 66 VAL CG1 C 13 20.7100 0.35 . 2 . . . A 156 VAL CG1 . 18623 1 790 . 1 1 66 66 VAL CG2 C 13 23.9800 0.35 . 2 . . . A 156 VAL CG2 . 18623 1 791 . 1 1 66 66 VAL N N 15 118.7528 0.05 . 1 . 11926 . A 156 VAL N . 18623 1 792 . 1 1 67 67 GLU H H 1 7.4680 0.01 . 1 . 12594 . A 157 GLU H . 18623 1 793 . 1 1 67 67 GLU HA H 1 3.6900 0.03 . 1 . . . A 157 GLU HA . 18623 1 794 . 1 1 67 67 GLU HB2 H 1 2.1580 0.04 . 2 . . . A 157 GLU HB2 . 18623 1 795 . 1 1 67 67 GLU HG2 H 1 2.3500 0.04 . 2 . . . A 157 GLU HG2 . 18623 1 796 . 1 1 67 67 GLU HG3 H 1 2.0290 0.04 . 2 . . . A 157 GLU HG3 . 18623 1 797 . 1 1 67 67 GLU C C 13 179.3917 0.09 . 1 . . . A 157 GLU C . 18623 1 798 . 1 1 67 67 GLU CA C 13 59.9321 0.40 . 1 . 11216 . A 157 GLU CA . 18623 1 799 . 1 1 67 67 GLU CB C 13 29.4008 0.40 . 1 . 12008 . A 157 GLU CB . 18623 1 800 . 1 1 67 67 GLU CG C 13 36.2510 0.35 . 1 . . . A 157 GLU CG . 18623 1 801 . 1 1 67 67 GLU N N 15 118.6443 0.05 . 1 . 12595 . A 157 GLU N . 18623 1 802 . 1 1 68 68 CYS H H 1 8.0369 0.01 . 1 . 12162 . A 158 CYS H . 18623 1 803 . 1 1 68 68 CYS HA H 1 3.8420 0.03 . 1 . . . A 158 CYS HA . 18623 1 804 . 1 1 68 68 CYS HB2 H 1 2.7550 0.04 . 2 . . . A 158 CYS HB2 . 18623 1 805 . 1 1 68 68 CYS HB3 H 1 2.6320 0.04 . 2 . . . A 158 CYS HB3 . 18623 1 806 . 1 1 68 68 CYS C C 13 177.6978 0.09 . 1 . . . A 158 CYS C . 18623 1 807 . 1 1 68 68 CYS CA C 13 63.5761 0.40 . 1 . 11684 . A 158 CYS CA . 18623 1 808 . 1 1 68 68 CYS CB C 13 27.1778 0.40 . 1 . 11699 . A 158 CYS CB . 18623 1 809 . 1 1 68 68 CYS N N 15 116.1034 0.05 . 1 . 12163 . A 158 CYS N . 18623 1 810 . 1 1 69 69 LEU H H 1 7.9841 0.01 . 1 . 11697 . A 159 LEU H . 18623 1 811 . 1 1 69 69 LEU HA H 1 3.1380 0.03 . 1 . . . A 159 LEU HA . 18623 1 812 . 1 1 69 69 LEU HB2 H 1 1.0320 0.04 . 2 . . . A 159 LEU HB2 . 18623 1 813 . 1 1 69 69 LEU HB3 H 1 -0.6360 0.04 . 2 . . . A 159 LEU HB3 . 18623 1 814 . 1 1 69 69 LEU HG H 1 1.3520 0.04 . 1 . . . A 159 LEU HG . 18623 1 815 . 1 1 69 69 LEU HD11 H 1 0.8710 0.04 . 2 . . . A 159 LEU HD11 . 18623 1 816 . 1 1 69 69 LEU HD12 H 1 0.8710 0.04 . 2 . . . A 159 LEU HD12 . 18623 1 817 . 1 1 69 69 LEU HD13 H 1 0.8710 0.04 . 2 . . . A 159 LEU HD13 . 18623 1 818 . 1 1 69 69 LEU HD21 H 1 0.2960 0.04 . 2 . . . A 159 LEU HD21 . 18623 1 819 . 1 1 69 69 LEU HD22 H 1 0.2960 0.04 . 2 . . . A 159 LEU HD22 . 18623 1 820 . 1 1 69 69 LEU HD23 H 1 0.2960 0.04 . 2 . . . A 159 LEU HD23 . 18623 1 821 . 1 1 69 69 LEU C C 13 178.4606 0.09 . 1 . . . A 159 LEU C . 18623 1 822 . 1 1 69 69 LEU CA C 13 57.3468 0.40 . 1 . 11690 . A 159 LEU CA . 18623 1 823 . 1 1 69 69 LEU CB C 13 39.5397 0.40 . 1 . 11201 . A 159 LEU CB . 18623 1 824 . 1 1 69 69 LEU CG C 13 25.4150 0.35 . 1 . . . A 159 LEU CG . 18623 1 825 . 1 1 69 69 LEU CD1 C 13 25.4150 0.35 . 2 . . . A 159 LEU CD1 . 18623 1 826 . 1 1 69 69 LEU CD2 C 13 25.4150 0.35 . 2 . . . A 159 LEU CD2 . 18623 1 827 . 1 1 69 69 LEU N N 15 121.3827 0.05 . 1 . 11698 . A 159 LEU N . 18623 1 828 . 1 1 70 70 LEU H H 1 8.2588 0.01 . 1 . 12465 . A 160 LEU H . 18623 1 829 . 1 1 70 70 LEU HA H 1 3.7460 0.03 . 1 . . . A 160 LEU HA . 18623 1 830 . 1 1 70 70 LEU HB2 H 1 1.7780 0.04 . 2 . . . A 160 LEU HB2 . 18623 1 831 . 1 1 70 70 LEU HB3 H 1 1.3150 0.04 . 2 . . . A 160 LEU HB3 . 18623 1 832 . 1 1 70 70 LEU HG H 1 1.7920 0.04 . 1 . . . A 160 LEU HG . 18623 1 833 . 1 1 70 70 LEU HD11 H 1 0.7220 0.04 . 2 . . . A 160 LEU HD11 . 18623 1 834 . 1 1 70 70 LEU HD12 H 1 0.7220 0.04 . 2 . . . A 160 LEU HD12 . 18623 1 835 . 1 1 70 70 LEU HD13 H 1 0.7220 0.04 . 2 . . . A 160 LEU HD13 . 18623 1 836 . 1 1 70 70 LEU HD21 H 1 0.9420 0.04 . 2 . . . A 160 LEU HD21 . 18623 1 837 . 1 1 70 70 LEU HD22 H 1 0.9420 0.04 . 2 . . . A 160 LEU HD22 . 18623 1 838 . 1 1 70 70 LEU HD23 H 1 0.9420 0.04 . 2 . . . A 160 LEU HD23 . 18623 1 839 . 1 1 70 70 LEU C C 13 178.2220 0.09 . 1 . . . A 160 LEU C . 18623 1 840 . 1 1 70 70 LEU CA C 13 57.9147 0.40 . 1 . 11270 . A 160 LEU CA . 18623 1 841 . 1 1 70 70 LEU CB C 13 41.5079 0.40 . 1 . 12137 . A 160 LEU CB . 18623 1 842 . 1 1 70 70 LEU CG C 13 26.2210 0.35 . 1 . . . A 160 LEU CG . 18623 1 843 . 1 1 70 70 LEU CD1 C 13 26.2210 0.35 . 2 . . . A 160 LEU CD1 . 18623 1 844 . 1 1 70 70 LEU CD2 C 13 24.4450 0.35 . 2 . . . A 160 LEU CD2 . 18623 1 845 . 1 1 70 70 LEU N N 15 117.0628 0.05 . 1 . 12466 . A 160 LEU N . 18623 1 846 . 1 1 71 71 ARG H H 1 7.0047 0.01 . 1 . 12264 . A 161 ARG H . 18623 1 847 . 1 1 71 71 ARG HA H 1 4.3150 0.03 . 1 . . . A 161 ARG HA . 18623 1 848 . 1 1 71 71 ARG HB2 H 1 1.7400 0.04 . 2 . . . A 161 ARG HB2 . 18623 1 849 . 1 1 71 71 ARG HB3 H 1 1.8200 0.04 . 2 . . . A 161 ARG HB3 . 18623 1 850 . 1 1 71 71 ARG HG2 H 1 1.7000 0.04 . 2 . . . A 161 ARG HG2 . 18623 1 851 . 1 1 71 71 ARG HD2 H 1 3.0890 0.04 . 2 . . . A 161 ARG HD2 . 18623 1 852 . 1 1 71 71 ARG C C 13 176.2886 0.09 . 1 . . . A 161 ARG C . 18623 1 853 . 1 1 71 71 ARG CA C 13 55.7777 0.40 . 1 . 12269 . A 161 ARG CA . 18623 1 854 . 1 1 71 71 ARG CB C 13 31.1082 0.40 . 1 . 12275 . A 161 ARG CB . 18623 1 855 . 1 1 71 71 ARG CG C 13 27.3290 0.35 . 1 . . . A 161 ARG CG . 18623 1 856 . 1 1 71 71 ARG N N 15 113.7379 0.05 . 1 . 12265 . A 161 ARG N . 18623 1 857 . 1 1 72 72 SER H H 1 6.9796 0.01 . 1 . 12240 . A 162 SER H . 18623 1 858 . 1 1 72 72 SER HA H 1 4.1660 0.03 . 1 . . . A 162 SER HA . 18623 1 859 . 1 1 72 72 SER HB2 H 1 3.8250 0.04 . 2 . . . A 162 SER HB2 . 18623 1 860 . 1 1 72 72 SER HB3 H 1 3.6800 0.04 . 2 . . . A 162 SER HB3 . 18623 1 861 . 1 1 72 72 SER C C 13 176.2262 0.09 . 1 . . . A 162 SER C . 18623 1 862 . 1 1 72 72 SER CA C 13 59.2025 0.40 . 1 . 12248 . A 162 SER CA . 18623 1 863 . 1 1 72 72 SER CB C 13 63.4003 0.40 . 1 . 11357 . A 162 SER CB . 18623 1 864 . 1 1 72 72 SER N N 15 114.6052 0.05 . 1 . 12241 . A 162 SER N . 18623 1 865 . 1 1 73 73 ASP H H 1 8.7993 0.01 . 1 . 11364 . A 163 ASP H . 18623 1 866 . 1 1 73 73 ASP HA H 1 4.8020 0.03 . 1 . . . A 163 ASP HA . 18623 1 867 . 1 1 73 73 ASP HB2 H 1 2.8270 0.04 . 2 . . . A 163 ASP HB2 . 18623 1 868 . 1 1 73 73 ASP HB3 H 1 2.7100 0.04 . 2 . . . A 163 ASP HB3 . 18623 1 869 . 1 1 73 73 ASP C C 13 176.0201 0.09 . 1 . . . A 163 ASP C . 18623 1 870 . 1 1 73 73 ASP CA C 13 53.4027 0.40 . 1 . 10904 . A 163 ASP CA . 18623 1 871 . 1 1 73 73 ASP CB C 13 40.9417 0.40 . 1 . 11366 . A 163 ASP CB . 18623 1 872 . 1 1 73 73 ASP N N 15 127.4927 0.05 . 1 . 11365 . A 163 ASP N . 18623 1 873 . 1 1 74 74 LYS H H 1 8.4575 0.01 . 1 . 11598 . A 164 LYS H . 18623 1 874 . 1 1 74 74 LYS HA H 1 4.3930 0.03 . 1 . . . A 164 LYS HA . 18623 1 875 . 1 1 74 74 LYS HB2 H 1 2.0840 0.04 . 2 . . . A 164 LYS HB2 . 18623 1 876 . 1 1 74 74 LYS HB3 H 1 2.1700 0.04 . 2 . . . A 164 LYS HB3 . 18623 1 877 . 1 1 74 74 LYS HG2 H 1 1.5430 0.04 . 2 . . . A 164 LYS HG2 . 18623 1 878 . 1 1 74 74 LYS HG3 H 1 1.6450 0.04 . 2 . . . A 164 LYS HG3 . 18623 1 879 . 1 1 74 74 LYS HD2 H 1 1.7390 0.04 . 2 . . . A 164 LYS HD2 . 18623 1 880 . 1 1 74 74 LYS C C 13 176.6802 0.09 . 1 . . . A 164 LYS C . 18623 1 881 . 1 1 74 74 LYS CA C 13 55.6751 0.40 . 1 . 11594 . A 164 LYS CA . 18623 1 882 . 1 1 74 74 LYS CB C 13 31.1570 0.40 . 1 . 11468 . A 164 LYS CB . 18623 1 883 . 1 1 74 74 LYS CG C 13 24.4840 0.35 . 1 . . . A 164 LYS CG . 18623 1 884 . 1 1 74 74 LYS CD C 13 29.7740 0.35 . 1 . . . A 164 LYS CD . 18623 1 885 . 1 1 74 74 LYS CE C 13 43.5780 0.35 . 1 . . . A 164 LYS CE . 18623 1 886 . 1 1 74 74 LYS N N 15 121.9391 0.05 . 1 . 11599 . A 164 LYS N . 18623 1 887 . 1 1 75 75 GLU H H 1 8.7464 0.01 . 1 . 11454 . A 165 GLU H . 18623 1 888 . 1 1 75 75 GLU HA H 1 3.9420 0.03 . 1 . . . A 165 GLU HA . 18623 1 889 . 1 1 75 75 GLU HB2 H 1 2.0430 0.04 . 2 . . . A 165 GLU HB2 . 18623 1 890 . 1 1 75 75 GLU HG2 H 1 2.3010 0.04 . 2 . . . A 165 GLU HG2 . 18623 1 891 . 1 1 75 75 GLU C C 13 175.2265 0.09 . 1 . . . A 165 GLU C . 18623 1 892 . 1 1 75 75 GLU CA C 13 58.7050 0.40 . 1 . 11456 . A 165 GLU CA . 18623 1 893 . 1 1 75 75 GLU CB C 13 29.7231 0.40 . 1 . 11471 . A 165 GLU CB . 18623 1 894 . 1 1 75 75 GLU CG C 13 36.0470 0.35 . 1 . . . A 165 GLU CG . 18623 1 895 . 1 1 75 75 GLU N N 15 123.5916 0.05 . 1 . 11455 . A 165 GLU N . 18623 1 896 . 1 1 76 76 ASN H H 1 8.5835 0.01 . 1 . 12276 . A 166 ASN H . 18623 1 897 . 1 1 76 76 ASN HA H 1 4.7930 0.03 . 1 . . . A 166 ASN HA . 18623 1 898 . 1 1 76 76 ASN HB2 H 1 2.9190 0.04 . 2 . . . A 166 ASN HB2 . 18623 1 899 . 1 1 76 76 ASN HB3 H 1 2.8330 0.04 . 2 . . . A 166 ASN HB3 . 18623 1 900 . 1 1 76 76 ASN C C 13 176.7689 0.09 . 1 . . . A 166 ASN C . 18623 1 901 . 1 1 76 76 ASN CA C 13 52.6875 0.40 . 1 . 12281 . A 166 ASN CA . 18623 1 902 . 1 1 76 76 ASN CB C 13 38.1632 0.40 . 1 . 12284 . A 166 ASN CB . 18623 1 903 . 1 1 76 76 ASN N N 15 112.4693 0.05 . 1 . 12277 . A 166 ASN N . 18623 1 904 . 1 1 77 77 TRP H H 1 8.0718 0.01 . 1 . 11541 . A 167 TRP H . 18623 1 905 . 1 1 77 77 TRP HA H 1 4.5700 0.03 . 1 . . . A 167 TRP HA . 18623 1 906 . 1 1 77 77 TRP HB2 H 1 3.6000 0.04 . 2 . . . A 167 TRP HB2 . 18623 1 907 . 1 1 77 77 TRP HB3 H 1 3.2500 0.04 . 2 . . . A 167 TRP HB3 . 18623 1 908 . 1 1 77 77 TRP HD1 H 1 7.9688 0.04 . 1 . . . A 167 TRP HD1 . 18623 1 909 . 1 1 77 77 TRP HE1 H 1 10.4800 0.04 . 1 . . . A 167 TRP HE1 . 18623 1 910 . 1 1 77 77 TRP HZ2 H 1 7.1500 0.04 . 1 . . . A 167 TRP HZ2 . 18623 1 911 . 1 1 77 77 TRP HH2 H 1 7.1700 0.04 . 1 . . . A 167 TRP HH2 . 18623 1 912 . 1 1 77 77 TRP CA C 13 62.1280 0.40 . 1 . 11528 . A 167 TRP CA . 18623 1 913 . 1 1 77 77 TRP CB C 13 28.8562 0.40 . 1 . 11561 . A 167 TRP CB . 18623 1 914 . 1 1 77 77 TRP CD1 C 13 130.3528 0.35 . 1 . . . A 167 TRP CD1 . 18623 1 915 . 1 1 77 77 TRP CZ2 C 13 113.5506 0.35 . 1 . . . A 167 TRP CZ2 . 18623 1 916 . 1 1 77 77 TRP N N 15 122.6915 0.05 . 1 . 11542 . A 167 TRP N . 18623 1 917 . 1 1 77 77 TRP NE1 N 15 133.5030 0.05 . 1 . . . A 167 TRP NE1 . 18623 1 918 . 1 1 78 78 PRO HA H 1 3.9900 0.03 . 1 . . . A 168 PRO HA . 18623 1 919 . 1 1 78 78 PRO HB2 H 1 0.9590 0.04 . 2 . . . A 168 PRO HB2 . 18623 1 920 . 1 1 78 78 PRO HB3 H 1 0.8760 0.04 . 2 . . . A 168 PRO HB3 . 18623 1 921 . 1 1 78 78 PRO HG2 H 1 -0.6000 0.04 . 2 . . . A 168 PRO HG2 . 18623 1 922 . 1 1 78 78 PRO HD2 H 1 2.9100 0.04 . 2 . . . A 168 PRO HD2 . 18623 1 923 . 1 1 78 78 PRO HD3 H 1 2.1580 0.04 . 2 . . . A 168 PRO HD3 . 18623 1 924 . 1 1 78 78 PRO C C 13 179.5633 0.09 . 1 . . . A 168 PRO C . 18623 1 925 . 1 1 78 78 PRO CA C 13 66.8755 0.40 . 1 . 11174 . A 168 PRO CA . 18623 1 926 . 1 1 78 78 PRO CB C 13 30.4750 0.40 . 1 . 11177 . A 168 PRO CB . 18623 1 927 . 1 1 78 78 PRO CG C 13 27.3150 0.35 . 1 . . . A 168 PRO CG . 18623 1 928 . 1 1 78 78 PRO CD C 13 49.6570 0.35 . 1 . . . A 168 PRO CD . 18623 1 929 . 1 1 79 79 LYS H H 1 7.2264 0.01 . 1 . 12072 . A 169 LYS H . 18623 1 930 . 1 1 79 79 LYS HA H 1 3.9510 0.03 . 1 . . . A 169 LYS HA . 18623 1 931 . 1 1 79 79 LYS HB2 H 1 1.8070 0.04 . 2 . . . A 169 LYS HB2 . 18623 1 932 . 1 1 79 79 LYS HB3 H 1 1.8500 0.04 . 2 . . . A 169 LYS HB3 . 18623 1 933 . 1 1 79 79 LYS HG2 H 1 1.6160 0.04 . 2 . . . A 169 LYS HG2 . 18623 1 934 . 1 1 79 79 LYS HG3 H 1 1.3350 0.04 . 2 . . . A 169 LYS HG3 . 18623 1 935 . 1 1 79 79 LYS HD2 H 1 1.8150 0.04 . 2 . . . A 169 LYS HD2 . 18623 1 936 . 1 1 79 79 LYS HE2 H 1 2.8760 0.04 . 2 . . . A 169 LYS HE2 . 18623 1 937 . 1 1 79 79 LYS C C 13 178.1697 0.09 . 1 . . . A 169 LYS C . 18623 1 938 . 1 1 79 79 LYS CA C 13 58.7360 0.40 . 1 . 12071 . A 169 LYS CA . 18623 1 939 . 1 1 79 79 LYS CB C 13 32.3176 0.40 . 1 . 10976 . A 169 LYS CB . 18623 1 940 . 1 1 79 79 LYS CG C 13 24.9660 0.35 . 1 . . . A 169 LYS CG . 18623 1 941 . 1 1 79 79 LYS CD C 13 30.0480 0.35 . 1 . . . A 169 LYS CD . 18623 1 942 . 1 1 79 79 LYS CE C 13 41.7300 0.35 . 1 . . . A 169 LYS CE . 18623 1 943 . 1 1 79 79 LYS N N 15 117.9802 0.05 . 1 . 12073 . A 169 LYS N . 18623 1 944 . 1 1 80 80 GLU H H 1 8.3483 0.01 . 1 . 11724 . A 170 GLU H . 18623 1 945 . 1 1 80 80 GLU HA H 1 4.1010 0.03 . 1 . . . A 170 GLU HA . 18623 1 946 . 1 1 80 80 GLU HB2 H 1 2.0870 0.04 . 2 . . . A 170 GLU HB2 . 18623 1 947 . 1 1 80 80 GLU HB3 H 1 1.9690 0.04 . 2 . . . A 170 GLU HB3 . 18623 1 948 . 1 1 80 80 GLU HG2 H 1 2.2660 0.04 . 2 . . . A 170 GLU HG2 . 18623 1 949 . 1 1 80 80 GLU HG3 H 1 2.1280 0.04 . 2 . . . A 170 GLU HG3 . 18623 1 950 . 1 1 80 80 GLU C C 13 180.2040 0.09 . 1 . . . A 170 GLU C . 18623 1 951 . 1 1 80 80 GLU CA C 13 59.0980 0.40 . 1 . 11720 . A 170 GLU CA . 18623 1 952 . 1 1 80 80 GLU CB C 13 29.2172 0.40 . 1 . 11726 . A 170 GLU CB . 18623 1 953 . 1 1 80 80 GLU CG C 13 35.9860 0.35 . 1 . . . A 170 GLU CG . 18623 1 954 . 1 1 80 80 GLU N N 15 120.5329 0.05 . 1 . 11725 . A 170 GLU N . 18623 1 955 . 1 1 81 81 LEU H H 1 9.0956 0.01 . 1 . 11778 . A 171 LEU H . 18623 1 956 . 1 1 81 81 LEU HA H 1 4.0860 0.03 . 1 . . . A 171 LEU HA . 18623 1 957 . 1 1 81 81 LEU HB2 H 1 2.1330 0.04 . 2 . . . A 171 LEU HB2 . 18623 1 958 . 1 1 81 81 LEU HB3 H 1 1.4740 0.04 . 2 . . . A 171 LEU HB3 . 18623 1 959 . 1 1 81 81 LEU HG H 1 1.1410 0.04 . 1 . . . A 171 LEU HG . 18623 1 960 . 1 1 81 81 LEU HD11 H 1 0.1320 0.04 . 2 . . . A 171 LEU HD11 . 18623 1 961 . 1 1 81 81 LEU HD12 H 1 0.1320 0.04 . 2 . . . A 171 LEU HD12 . 18623 1 962 . 1 1 81 81 LEU HD13 H 1 0.1320 0.04 . 2 . . . A 171 LEU HD13 . 18623 1 963 . 1 1 81 81 LEU HD21 H 1 0.7130 0.04 . 2 . . . A 171 LEU HD21 . 18623 1 964 . 1 1 81 81 LEU HD22 H 1 0.7130 0.04 . 2 . . . A 171 LEU HD22 . 18623 1 965 . 1 1 81 81 LEU HD23 H 1 0.7130 0.04 . 2 . . . A 171 LEU HD23 . 18623 1 966 . 1 1 81 81 LEU C C 13 177.5085 0.09 . 1 . . . A 171 LEU C . 18623 1 967 . 1 1 81 81 LEU CA C 13 58.2543 0.40 . 1 . 11780 . A 171 LEU CA . 18623 1 968 . 1 1 81 81 LEU CB C 13 41.5567 0.40 . 1 . 11942 . A 171 LEU CB . 18623 1 969 . 1 1 81 81 LEU CG C 13 27.4510 0.35 . 1 . . . A 171 LEU CG . 18623 1 970 . 1 1 81 81 LEU CD1 C 13 24.6650 0.35 . 2 . . . A 171 LEU CD1 . 18623 1 971 . 1 1 81 81 LEU CD2 C 13 23.0770 0.35 . 2 . . . A 171 LEU CD2 . 18623 1 972 . 1 1 81 81 LEU N N 15 119.7569 0.05 . 1 . 11779 . A 171 LEU N . 18623 1 973 . 1 1 82 82 LYS H H 1 7.6994 0.01 . 1 . 12504 . A 172 LYS H . 18623 1 974 . 1 1 82 82 LYS HA H 1 4.1320 0.03 . 1 . . . A 172 LYS HA . 18623 1 975 . 1 1 82 82 LYS HB2 H 1 2.4750 0.04 . 2 . . . A 172 LYS HB2 . 18623 1 976 . 1 1 82 82 LYS HB3 H 1 2.0080 0.04 . 2 . . . A 172 LYS HB3 . 18623 1 977 . 1 1 82 82 LYS HG2 H 1 1.5100 0.04 . 2 . . . A 172 LYS HG2 . 18623 1 978 . 1 1 82 82 LYS HD2 H 1 1.6000 0.04 . 2 . . . A 172 LYS HD2 . 18623 1 979 . 1 1 82 82 LYS C C 13 177.4831 0.09 . 1 . . . A 172 LYS C . 18623 1 980 . 1 1 82 82 LYS CA C 13 59.2120 0.40 . 1 . 11930 . A 172 LYS CA . 18623 1 981 . 1 1 82 82 LYS CB C 13 32.8734 0.40 . 1 . 12014 . A 172 LYS CB . 18623 1 982 . 1 1 82 82 LYS CG C 13 23.9140 0.35 . 1 . . . A 172 LYS CG . 18623 1 983 . 1 1 82 82 LYS N N 15 118.6872 0.05 . 1 . 12505 . A 172 LYS N . 18623 1 984 . 1 1 83 83 LEU H H 1 8.3408 0.01 . 1 . 12498 . A 173 LEU H . 18623 1 985 . 1 1 83 83 LEU HA H 1 4.0150 0.03 . 1 . . . A 173 LEU HA . 18623 1 986 . 1 1 83 83 LEU HB2 H 1 1.8850 0.04 . 2 . . . A 173 LEU HB2 . 18623 1 987 . 1 1 83 83 LEU HB3 H 1 1.5320 0.04 . 2 . . . A 173 LEU HB3 . 18623 1 988 . 1 1 83 83 LEU HG H 1 1.8890 0.04 . 1 . . . A 173 LEU HG . 18623 1 989 . 1 1 83 83 LEU HD11 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD11 . 18623 1 990 . 1 1 83 83 LEU HD12 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD12 . 18623 1 991 . 1 1 83 83 LEU HD13 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD13 . 18623 1 992 . 1 1 83 83 LEU HD21 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD21 . 18623 1 993 . 1 1 83 83 LEU HD22 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD22 . 18623 1 994 . 1 1 83 83 LEU HD23 H 1 0.8800 0.04 . 2 . . . A 173 LEU HD23 . 18623 1 995 . 1 1 83 83 LEU C C 13 179.9781 0.09 . 1 . . . A 173 LEU C . 18623 1 996 . 1 1 83 83 LEU CA C 13 58.0843 0.40 . 1 . 10871 . A 173 LEU CA . 18623 1 997 . 1 1 83 83 LEU CB C 13 41.5100 0.40 . 1 . 11549 . A 173 LEU CB . 18623 1 998 . 1 1 83 83 LEU CG C 13 26.9050 0.35 . 1 . . . A 173 LEU CG . 18623 1 999 . 1 1 83 83 LEU CD1 C 13 25.0640 0.35 . 2 . . . A 173 LEU CD1 . 18623 1 1000 . 1 1 83 83 LEU CD2 C 13 22.9540 0.35 . 2 . . . A 173 LEU CD2 . 18623 1 1001 . 1 1 83 83 LEU N N 15 117.6168 0.05 . 1 . 12499 . A 173 LEU N . 18623 1 1002 . 1 1 84 84 ALA H H 1 8.1256 0.01 . 1 . 12381 . A 174 ALA H . 18623 1 1003 . 1 1 84 84 ALA HA H 1 4.0830 0.03 . 1 . . . A 174 ALA HA . 18623 1 1004 . 1 1 84 84 ALA HB1 H 1 1.5080 0.04 . 1 . . . A 174 ALA HB1 . 18623 1 1005 . 1 1 84 84 ALA HB2 H 1 1.5080 0.04 . 1 . . . A 174 ALA HB2 . 18623 1 1006 . 1 1 84 84 ALA HB3 H 1 1.5080 0.04 . 1 . . . A 174 ALA HB3 . 18623 1 1007 . 1 1 84 84 ALA C C 13 179.7340 0.09 . 1 . . . A 174 ALA C . 18623 1 1008 . 1 1 84 84 ALA CA C 13 55.2979 0.40 . 1 . 11540 . A 174 ALA CA . 18623 1 1009 . 1 1 84 84 ALA CB C 13 18.7693 0.40 . 1 . 11192 . A 174 ALA CB . 18623 1 1010 . 1 1 84 84 ALA N N 15 122.8049 0.05 . 1 . 12382 . A 174 ALA N . 18623 1 1011 . 1 1 85 85 LEU H H 1 8.3975 0.01 . 1 . 12087 . A 175 LEU H . 18623 1 1012 . 1 1 85 85 LEU HA H 1 3.9160 0.03 . 1 . . . A 175 LEU HA . 18623 1 1013 . 1 1 85 85 LEU HB2 H 1 2.2720 0.04 . 2 . . . A 175 LEU HB2 . 18623 1 1014 . 1 1 85 85 LEU HB3 H 1 1.4030 0.04 . 2 . . . A 175 LEU HB3 . 18623 1 1015 . 1 1 85 85 LEU HG H 1 2.1400 0.04 . 1 . . . A 175 LEU HG . 18623 1 1016 . 1 1 85 85 LEU HD11 H 1 0.8600 0.04 . 2 . . . A 175 LEU HD11 . 18623 1 1017 . 1 1 85 85 LEU HD12 H 1 0.8600 0.04 . 2 . . . A 175 LEU HD12 . 18623 1 1018 . 1 1 85 85 LEU HD13 H 1 0.8600 0.04 . 2 . . . A 175 LEU HD13 . 18623 1 1019 . 1 1 85 85 LEU HD21 H 1 0.7100 0.04 . 2 . . . A 175 LEU HD21 . 18623 1 1020 . 1 1 85 85 LEU HD22 H 1 0.7100 0.04 . 2 . . . A 175 LEU HD22 . 18623 1 1021 . 1 1 85 85 LEU HD23 H 1 0.7100 0.04 . 2 . . . A 175 LEU HD23 . 18623 1 1022 . 1 1 85 85 LEU C C 13 179.5480 0.09 . 1 . . . A 175 LEU C . 18623 1 1023 . 1 1 85 85 LEU CA C 13 57.4320 0.40 . 1 . 12089 . A 175 LEU CA . 18623 1 1024 . 1 1 85 85 LEU CB C 13 42.0079 0.40 . 1 . 12104 . A 175 LEU CB . 18623 1 1025 . 1 1 85 85 LEU CD1 C 13 28.0200 0.35 . 2 . . . A 175 LEU CD1 . 18623 1 1026 . 1 1 85 85 LEU N N 15 116.7029 0.05 . 1 . 12088 . A 175 LEU N . 18623 1 1027 . 1 1 86 86 GLU H H 1 8.4630 0.01 . 1 . 11853 . A 176 GLU H . 18623 1 1028 . 1 1 86 86 GLU HA H 1 4.0790 0.03 . 1 . . . A 176 GLU HA . 18623 1 1029 . 1 1 86 86 GLU HB2 H 1 2.1620 0.04 . 2 . . . A 176 GLU HB2 . 18623 1 1030 . 1 1 86 86 GLU HB3 H 1 2.0520 0.04 . 2 . . . A 176 GLU HB3 . 18623 1 1031 . 1 1 86 86 GLU HG2 H 1 2.4760 0.04 . 2 . . . A 176 GLU HG2 . 18623 1 1032 . 1 1 86 86 GLU HG3 H 1 2.2730 0.04 . 2 . . . A 176 GLU HG3 . 18623 1 1033 . 1 1 86 86 GLU C C 13 180.3784 0.09 . 1 . . . A 176 GLU C . 18623 1 1034 . 1 1 86 86 GLU CA C 13 58.8582 0.40 . 1 . 11855 . A 176 GLU CA . 18623 1 1035 . 1 1 86 86 GLU CB C 13 30.0699 0.40 . 1 . 11876 . A 176 GLU CB . 18623 1 1036 . 1 1 86 86 GLU CG C 13 36.7770 0.35 . 1 . . . A 176 GLU CG . 18623 1 1037 . 1 1 86 86 GLU N N 15 118.3978 0.05 . 1 . 11854 . A 176 GLU N . 18623 1 1038 . 1 1 87 87 LYS H H 1 8.2705 0.01 . 1 . 11610 . A 177 LYS H . 18623 1 1039 . 1 1 87 87 LYS HA H 1 4.0000 0.03 . 1 . . . A 177 LYS HA . 18623 1 1040 . 1 1 87 87 LYS HB2 H 1 1.9630 0.04 . 2 . . . A 177 LYS HB2 . 18623 1 1041 . 1 1 87 87 LYS HG2 H 1 1.3980 0.04 . 2 . . . A 177 LYS HG2 . 18623 1 1042 . 1 1 87 87 LYS HG3 H 1 1.5520 0.04 . 2 . . . A 177 LYS HG3 . 18623 1 1043 . 1 1 87 87 LYS HD2 H 1 1.7190 0.04 . 2 . . . A 177 LYS HD2 . 18623 1 1044 . 1 1 87 87 LYS HE2 H 1 3.1070 0.04 . 2 . . . A 177 LYS HE2 . 18623 1 1045 . 1 1 87 87 LYS HE3 H 1 2.9200 0.04 . 2 . . . A 177 LYS HE3 . 18623 1 1046 . 1 1 87 87 LYS C C 13 178.1929 0.09 . 1 . . . A 177 LYS C . 18623 1 1047 . 1 1 87 87 LYS CA C 13 59.5418 0.40 . 1 . 11537 . A 177 LYS CA . 18623 1 1048 . 1 1 87 87 LYS CB C 13 32.2644 0.40 . 1 . 12233 . A 177 LYS CB . 18623 1 1049 . 1 1 87 87 LYS CG C 13 24.6230 0.35 . 1 . . . A 177 LYS CG . 18623 1 1050 . 1 1 87 87 LYS CE C 13 42.3400 0.35 . 1 . . . A 177 LYS CE . 18623 1 1051 . 1 1 87 87 LYS N N 15 122.5300 0.05 . 1 . 11611 . A 177 LYS N . 18623 1 1052 . 1 1 88 88 GLU H H 1 7.4744 0.01 . 1 . 12225 . A 178 GLU H . 18623 1 1053 . 1 1 88 88 GLU HA H 1 4.3400 0.03 . 1 . . . A 178 GLU HA . 18623 1 1054 . 1 1 88 88 GLU HB2 H 1 2.2600 0.04 . 2 . . . A 178 GLU HB2 . 18623 1 1055 . 1 1 88 88 GLU HB3 H 1 1.8060 0.04 . 2 . . . A 178 GLU HB3 . 18623 1 1056 . 1 1 88 88 GLU HG2 H 1 2.5300 0.04 . 2 . . . A 178 GLU HG2 . 18623 1 1057 . 1 1 88 88 GLU HG3 H 1 2.4900 0.04 . 2 . . . A 178 GLU HG3 . 18623 1 1058 . 1 1 88 88 GLU C C 13 175.4290 0.09 . 1 . . . A 178 GLU C . 18623 1 1059 . 1 1 88 88 GLU CA C 13 55.0739 0.40 . 1 . 11099 . A 178 GLU CA . 18623 1 1060 . 1 1 88 88 GLU CB C 13 29.0672 0.40 . 1 . 12239 . A 178 GLU CB . 18623 1 1061 . 1 1 88 88 GLU CG C 13 34.5900 0.35 . 1 . . . A 178 GLU CG . 18623 1 1062 . 1 1 88 88 GLU N N 15 114.4480 0.05 . 1 . 12226 . A 178 GLU N . 18623 1 1063 . 1 1 89 89 ARG H H 1 7.9006 0.01 . 1 . 11952 . A 179 ARG H . 18623 1 1064 . 1 1 89 89 ARG HA H 1 3.8710 0.03 . 1 . . . A 179 ARG HA . 18623 1 1065 . 1 1 89 89 ARG HB2 H 1 1.8850 0.04 . 2 . . . A 179 ARG HB2 . 18623 1 1066 . 1 1 89 89 ARG HB3 H 1 2.0080 0.04 . 2 . . . A 179 ARG HB3 . 18623 1 1067 . 1 1 89 89 ARG HG2 H 1 1.5720 0.04 . 2 . . . A 179 ARG HG2 . 18623 1 1068 . 1 1 89 89 ARG HD2 H 1 3.2130 0.04 . 2 . . . A 179 ARG HD2 . 18623 1 1069 . 1 1 89 89 ARG C C 13 175.6252 0.09 . 1 . . . A 179 ARG C . 18623 1 1070 . 1 1 89 89 ARG CA C 13 56.7866 0.40 . 1 . 11933 . A 179 ARG CA . 18623 1 1071 . 1 1 89 89 ARG CB C 13 26.8388 0.40 . 1 . 11957 . A 179 ARG CB . 18623 1 1072 . 1 1 89 89 ARG CG C 13 27.1100 0.35 . 1 . . . A 179 ARG CG . 18623 1 1073 . 1 1 89 89 ARG CD C 13 43.5900 0.35 . 1 . . . A 179 ARG CD . 18623 1 1074 . 1 1 89 89 ARG N N 15 118.3881 0.05 . 1 . 11953 . A 179 ARG N . 18623 1 1075 . 1 1 90 90 ASN H H 1 8.3148 0.01 . 1 . 12639 . A 180 ASN H . 18623 1 1076 . 1 1 90 90 ASN HA H 1 4.6330 0.03 . 1 . . . A 180 ASN HA . 18623 1 1077 . 1 1 90 90 ASN HB2 H 1 2.6850 0.04 . 2 . . . A 180 ASN HB2 . 18623 1 1078 . 1 1 90 90 ASN HB3 H 1 2.5630 0.04 . 2 . . . A 180 ASN HB3 . 18623 1 1079 . 1 1 90 90 ASN C C 13 178.1260 0.09 . 1 . . . A 180 ASN C . 18623 1 1080 . 1 1 90 90 ASN CA C 13 54.0106 0.40 . 1 . 12029 . A 180 ASN CA . 18623 1 1081 . 1 1 90 90 ASN N N 15 117.7612 0.05 . 1 . 12640 . A 180 ASN N . 18623 1 1082 . 1 1 91 91 LYS H H 1 9.2741 0.01 . 1 . 10764 . A 181 LYS H . 18623 1 1083 . 1 1 91 91 LYS HA H 1 4.1280 0.03 . 1 . . . A 181 LYS HA . 18623 1 1084 . 1 1 91 91 LYS HB2 H 1 1.8150 0.04 . 2 . . . A 181 LYS HB2 . 18623 1 1085 . 1 1 91 91 LYS HG2 H 1 1.5520 0.04 . 2 . . . A 181 LYS HG2 . 18623 1 1086 . 1 1 91 91 LYS HD2 H 1 1.6450 0.04 . 2 . . . A 181 LYS HD2 . 18623 1 1087 . 1 1 91 91 LYS HE2 H 1 2.9930 0.04 . 2 . . . A 181 LYS HE2 . 18623 1 1088 . 1 1 91 91 LYS C C 13 178.3058 0.09 . 1 . . . A 181 LYS C . 18623 1 1089 . 1 1 91 91 LYS CA C 13 58.6875 0.40 . 1 . 10889 . A 181 LYS CA . 18623 1 1090 . 1 1 91 91 LYS CB C 13 32.3676 0.40 . 1 . 10892 . A 181 LYS CB . 18623 1 1091 . 1 1 91 91 LYS CG C 13 25.3450 0.35 . 1 . . . A 181 LYS CG . 18623 1 1092 . 1 1 91 91 LYS N N 15 129.4783 0.05 . 1 . 10765 . A 181 LYS N . 18623 1 1093 . 1 1 92 92 PHE H H 1 9.7393 0.01 . 1 . 11571 . A 182 PHE H . 18623 1 1094 . 1 1 92 92 PHE HA H 1 4.0650 0.03 . 1 . . . A 182 PHE HA . 18623 1 1095 . 1 1 92 92 PHE HB2 H 1 2.8100 0.04 . 2 . . . A 182 PHE HB2 . 18623 1 1096 . 1 1 92 92 PHE HB3 H 1 2.6850 0.04 . 2 . . . A 182 PHE HB3 . 18623 1 1097 . 1 1 92 92 PHE HD1 H 1 6.9747 0.04 . 3 . . . A 182 PHE HD1 . 18623 1 1098 . 1 1 92 92 PHE HE1 H 1 7.2000 0.04 . 3 . . . A 182 PHE HE1 . 18623 1 1099 . 1 1 92 92 PHE C C 13 176.5408 0.09 . 1 . . . A 182 PHE C . 18623 1 1100 . 1 1 92 92 PHE CA C 13 61.0618 0.40 . 1 . 11306 . A 182 PHE CA . 18623 1 1101 . 1 1 92 92 PHE CB C 13 39.5130 0.40 . 1 . 11309 . A 182 PHE CB . 18623 1 1102 . 1 1 92 92 PHE CD1 C 13 132.4022 0.35 . 3 . . . A 182 PHE CD1 . 18623 1 1103 . 1 1 92 92 PHE CE1 C 13 130.4997 0.35 . 3 . . . A 182 PHE CE1 . 18623 1 1104 . 1 1 92 92 PHE N N 15 121.8967 0.05 . 1 . 11572 . A 182 PHE N . 18623 1 1105 . 1 1 93 93 SER H H 1 8.3669 0.01 . 1 . 12333 . A 183 SER H . 18623 1 1106 . 1 1 93 93 SER HA H 1 3.9660 0.03 . 1 . . . A 183 SER HA . 18623 1 1107 . 1 1 93 93 SER HB2 H 1 3.9660 0.04 . 2 . . . A 183 SER HB2 . 18623 1 1108 . 1 1 93 93 SER C C 13 176.5230 0.09 . 1 . . . A 183 SER C . 18623 1 1109 . 1 1 93 93 SER CA C 13 61.5070 0.40 . 1 . 11249 . A 183 SER CA . 18623 1 1110 . 1 1 93 93 SER CB C 13 63.5494 0.40 . 1 . 11246 . A 183 SER CB . 18623 1 1111 . 1 1 93 93 SER N N 15 110.8135 0.05 . 1 . 12334 . A 183 SER N . 18623 1 1112 . 1 1 94 94 GLU H H 1 7.4179 0.01 . 1 . 12219 . A 184 GLU H . 18623 1 1113 . 1 1 94 94 GLU HA H 1 3.9120 0.03 . 1 . . . A 184 GLU HA . 18623 1 1114 . 1 1 94 94 GLU HB2 H 1 1.9400 0.04 . 2 . . . A 184 GLU HB2 . 18623 1 1115 . 1 1 94 94 GLU HG2 H 1 2.2600 0.04 . 2 . . . A 184 GLU HG2 . 18623 1 1116 . 1 1 94 94 GLU C C 13 177.2256 0.09 . 1 . . . A 184 GLU C . 18623 1 1117 . 1 1 94 94 GLU CA C 13 58.2548 0.40 . 1 . 12224 . A 184 GLU CA . 18623 1 1118 . 1 1 94 94 GLU CB C 13 29.5464 0.40 . 1 . 12236 . A 184 GLU CB . 18623 1 1119 . 1 1 94 94 GLU CG C 13 36.2100 0.35 . 1 . . . A 184 GLU CG . 18623 1 1120 . 1 1 94 94 GLU N N 15 114.9185 0.05 . 1 . 12220 . A 184 GLU N . 18623 1 1121 . 1 1 95 95 LEU H H 1 7.2308 0.01 . 1 . 12204 . A 185 LEU H . 18623 1 1122 . 1 1 95 95 LEU HA H 1 4.1610 0.03 . 1 . . . A 185 LEU HA . 18623 1 1123 . 1 1 95 95 LEU HB2 H 1 1.3810 0.04 . 2 . . . A 185 LEU HB2 . 18623 1 1124 . 1 1 95 95 LEU HB3 H 1 1.0600 0.04 . 2 . . . A 185 LEU HB3 . 18623 1 1125 . 1 1 95 95 LEU HG H 1 1.4360 0.04 . 1 . . . A 185 LEU HG . 18623 1 1126 . 1 1 95 95 LEU HD11 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD11 . 18623 1 1127 . 1 1 95 95 LEU HD12 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD12 . 18623 1 1128 . 1 1 95 95 LEU HD13 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD13 . 18623 1 1129 . 1 1 95 95 LEU HD21 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD21 . 18623 1 1130 . 1 1 95 95 LEU HD22 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD22 . 18623 1 1131 . 1 1 95 95 LEU HD23 H 1 0.7810 0.04 . 2 . . . A 185 LEU HD23 . 18623 1 1132 . 1 1 95 95 LEU C C 13 175.9456 0.09 . 1 . . . A 185 LEU C . 18623 1 1133 . 1 1 95 95 LEU CA C 13 54.2956 0.40 . 1 . 12200 . A 185 LEU CA . 18623 1 1134 . 1 1 95 95 LEU CB C 13 42.4015 0.40 . 1 . 10940 . A 185 LEU CB . 18623 1 1135 . 1 1 95 95 LEU CG C 13 25.8110 0.35 . 1 . . . A 185 LEU CG . 18623 1 1136 . 1 1 95 95 LEU CD1 C 13 25.2870 0.35 . 2 . . . A 185 LEU CD1 . 18623 1 1137 . 1 1 95 95 LEU CD2 C 13 22.2840 0.35 . 2 . . . A 185 LEU CD2 . 18623 1 1138 . 1 1 95 95 LEU N N 15 115.4386 0.05 . 1 . 12205 . A 185 LEU N . 18623 1 1139 . 1 1 96 96 TRP H H 1 7.3054 0.01 . 1 . 11661 . A 186 TRP H . 18623 1 1140 . 1 1 96 96 TRP HA H 1 4.6440 0.03 . 1 . . . A 186 TRP HA . 18623 1 1141 . 1 1 96 96 TRP HB2 H 1 3.2480 0.04 . 2 . . . A 186 TRP HB2 . 18623 1 1142 . 1 1 96 96 TRP HB3 H 1 2.6720 0.04 . 2 . . . A 186 TRP HB3 . 18623 1 1143 . 1 1 96 96 TRP HD1 H 1 6.8000 0.04 . 1 . . . A 186 TRP HD1 . 18623 1 1144 . 1 1 96 96 TRP HE1 H 1 9.9700 0.04 . 1 . . . A 186 TRP HE1 . 18623 1 1145 . 1 1 96 96 TRP HZ2 H 1 7.0430 0.04 . 1 . . . A 186 TRP HZ2 . 18623 1 1146 . 1 1 96 96 TRP HZ3 H 1 7.2597 0.04 . 1 . . . A 186 TRP HZ3 . 18623 1 1147 . 1 1 96 96 TRP HH2 H 1 7.8238 0.04 . 1 . . . A 186 TRP HH2 . 18623 1 1148 . 1 1 96 96 TRP C C 13 172.5687 0.09 . 1 . . . A 186 TRP C . 18623 1 1149 . 1 1 96 96 TRP CA C 13 54.5336 0.40 . 1 . 10805 . A 186 TRP CA . 18623 1 1150 . 1 1 96 96 TRP CB C 13 29.4528 0.40 . 1 . 11420 . A 186 TRP CB . 18623 1 1151 . 1 1 96 96 TRP CD1 C 13 125.2318 0.35 . 1 . . . A 186 TRP CD1 . 18623 1 1152 . 1 1 96 96 TRP CZ2 C 13 114.7838 0.35 . 1 . . . A 186 TRP CZ2 . 18623 1 1153 . 1 1 96 96 TRP CZ3 C 13 124.8481 0.35 . 1 . . . A 186 TRP CZ3 . 18623 1 1154 . 1 1 96 96 TRP CH2 C 13 124.9343 0.35 . 1 . . . A 186 TRP CH2 . 18623 1 1155 . 1 1 96 96 TRP N N 15 121.8884 0.05 . 1 . 11662 . A 186 TRP N . 18623 1 1156 . 1 1 96 96 TRP NE1 N 15 126.2500 0.05 . 1 . . . A 186 TRP NE1 . 18623 1 1157 . 1 1 97 97 ILE H H 1 6.6411 0.01 . 1 . 11418 . A 187 ILE H . 18623 1 1158 . 1 1 97 97 ILE HA H 1 3.9410 0.03 . 1 . . . A 187 ILE HA . 18623 1 1159 . 1 1 97 97 ILE HB H 1 1.5790 0.03 . 1 . . . A 187 ILE HB . 18623 1 1160 . 1 1 97 97 ILE HG12 H 1 1.2000 0.04 . 2 . . . A 187 ILE HG12 . 18623 1 1161 . 1 1 97 97 ILE HG13 H 1 0.9700 0.04 . 2 . . . A 187 ILE HG13 . 18623 1 1162 . 1 1 97 97 ILE HG21 H 1 0.6780 0.04 . 1 . . . A 187 ILE HG21 . 18623 1 1163 . 1 1 97 97 ILE HG22 H 1 0.6780 0.04 . 1 . . . A 187 ILE HG22 . 18623 1 1164 . 1 1 97 97 ILE HG23 H 1 0.6780 0.04 . 1 . . . A 187 ILE HG23 . 18623 1 1165 . 1 1 97 97 ILE HD11 H 1 0.6780 0.04 . 1 . . . A 187 ILE HD11 . 18623 1 1166 . 1 1 97 97 ILE HD12 H 1 0.6780 0.04 . 1 . . . A 187 ILE HD12 . 18623 1 1167 . 1 1 97 97 ILE HD13 H 1 0.6780 0.04 . 1 . . . A 187 ILE HD13 . 18623 1 1168 . 1 1 97 97 ILE C C 13 174.7208 0.09 . 1 . . . A 187 ILE C . 18623 1 1169 . 1 1 97 97 ILE CA C 13 59.9243 0.40 . 1 . 11411 . A 187 ILE CA . 18623 1 1170 . 1 1 97 97 ILE CB C 13 37.5867 0.40 . 1 . 11489 . A 187 ILE CB . 18623 1 1171 . 1 1 97 97 ILE CG1 C 13 27.4240 0.35 . 1 . . . A 187 ILE CG1 . 18623 1 1172 . 1 1 97 97 ILE CG2 C 13 17.5700 0.35 . 1 . . . A 187 ILE CG2 . 18623 1 1173 . 1 1 97 97 ILE CD1 C 13 11.8690 0.35 . 1 . . . A 187 ILE CD1 . 18623 1 1174 . 1 1 97 97 ILE N N 15 126.0626 0.05 . 1 . 11419 . A 187 ILE N . 18623 1 1175 . 1 1 98 98 VAL H H 1 7.8588 0.01 . 1 . 11490 . A 188 VAL H . 18623 1 1176 . 1 1 98 98 VAL HA H 1 4.1630 0.03 . 1 . . . A 188 VAL HA . 18623 1 1177 . 1 1 98 98 VAL HB H 1 1.6310 0.03 . 1 . . . A 188 VAL HB . 18623 1 1178 . 1 1 98 98 VAL HG11 H 1 0.2970 0.04 . 2 . . . A 188 VAL HG11 . 18623 1 1179 . 1 1 98 98 VAL HG12 H 1 0.2970 0.04 . 2 . . . A 188 VAL HG12 . 18623 1 1180 . 1 1 98 98 VAL HG13 H 1 0.2970 0.04 . 2 . . . A 188 VAL HG13 . 18623 1 1181 . 1 1 98 98 VAL HG21 H 1 0.3150 0.04 . 2 . . . A 188 VAL HG21 . 18623 1 1182 . 1 1 98 98 VAL HG22 H 1 0.3150 0.04 . 2 . . . A 188 VAL HG22 . 18623 1 1183 . 1 1 98 98 VAL HG23 H 1 0.3150 0.04 . 2 . . . A 188 VAL HG23 . 18623 1 1184 . 1 1 98 98 VAL C C 13 175.2679 0.09 . 1 . . . A 188 VAL C . 18623 1 1185 . 1 1 98 98 VAL CA C 13 60.2596 0.40 . 1 . 10817 . A 188 VAL CA . 18623 1 1186 . 1 1 98 98 VAL CB C 13 33.5025 0.40 . 1 . 11444 . A 188 VAL CB . 18623 1 1187 . 1 1 98 98 VAL CG1 C 13 20.7910 0.35 . 2 . . . A 188 VAL CG1 . 18623 1 1188 . 1 1 98 98 VAL CG2 C 13 19.9130 0.35 . 2 . . . A 188 VAL CG2 . 18623 1 1189 . 1 1 98 98 VAL N N 15 123.4869 0.05 . 1 . 11491 . A 188 VAL N . 18623 1 1190 . 1 1 99 99 GLU H H 1 7.9334 0.01 . 1 . 11439 . A 189 GLU H . 18623 1 1191 . 1 1 99 99 GLU HA H 1 4.1880 0.03 . 1 . . . A 189 GLU HA . 18623 1 1192 . 1 1 99 99 GLU HB2 H 1 1.9420 0.04 . 2 . . . A 189 GLU HB2 . 18623 1 1193 . 1 1 99 99 GLU HB3 H 1 1.8060 0.04 . 2 . . . A 189 GLU HB3 . 18623 1 1194 . 1 1 99 99 GLU HG2 H 1 2.1430 0.04 . 2 . . . A 189 GLU HG2 . 18623 1 1195 . 1 1 99 99 GLU C C 13 175.1154 0.09 . 1 . . . A 189 GLU C . 18623 1 1196 . 1 1 99 99 GLU CA C 13 56.4754 0.40 . 1 . 11441 . A 189 GLU CA . 18623 1 1197 . 1 1 99 99 GLU CB C 13 30.6433 0.40 . 1 . 10796 . A 189 GLU CB . 18623 1 1198 . 1 1 99 99 GLU CG C 13 36.1910 0.35 . 1 . . . A 189 GLU CG . 18623 1 1199 . 1 1 99 99 GLU N N 15 124.7303 0.05 . 1 . 11440 . A 189 GLU N . 18623 1 1200 . 1 1 100 100 LYS H H 1 7.9347 0.01 . 1 . 11376 . A 190 LYS H . 18623 1 1201 . 1 1 100 100 LYS HB2 H 1 1.6900 0.04 . 2 . . . A 190 LYS HB2 . 18623 1 1202 . 1 1 100 100 LYS HG2 H 1 1.3600 0.04 . 2 . . . A 190 LYS HG2 . 18623 1 1203 . 1 1 100 100 LYS HD2 H 1 1.6300 0.04 . 2 . . . A 190 LYS HD2 . 18623 1 1204 . 1 1 100 100 LYS CA C 13 58.0489 0.40 . 1 . 11375 . A 190 LYS CA . 18623 1 1205 . 1 1 100 100 LYS CB C 13 33.4854 0.40 . 1 . 11387 . A 190 LYS CB . 18623 1 1206 . 1 1 100 100 LYS N N 15 127.3422 0.05 . 1 . 11377 . A 190 LYS N . 18623 1 stop_ save_