data_6844 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6844 _Entry.Title ; Solution Structure of Drosophila melanogaster SNF RBD2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-29 _Entry.Accession_date 2005-10-20 _Entry.Last_release_date 2009-10-20 _Entry.Original_release_date 2009-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 G. Cui . . . 6844 2 C. Li . . . 6844 3 C. Jin . . . 6844 4 B. Xia . . . 6844 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6844 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 339 6844 '15N chemical shifts' 90 6844 '1H chemical shifts' 601 6844 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2009-10-20 2005-09-29 original author . 6844 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2AYM 'BMRB Entry Tracking System' 6844 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6844 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19727396 _Citation.Full_citation . _Citation.Title 'Structure and Novel Functional Mechanism of Drosophila SNF in Sex-Lethal Splicing' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 9 _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 6890 _Citation.Page_last . _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hu Jicheng . . . 6844 1 2 Cui Gaofeng . . . 6844 1 3 Li Congmin . . . 6844 1 4 Liu Cong . . . 6844 1 5 Shang Erchang . . . 6844 1 6 Lai Luhua . . . 6844 1 7 Jin Changwen . . . 6844 1 8 Wang Jiwu . . . 6844 1 9 Xia Bin . . . 6844 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA binding' 6844 1 'RNA splicing' 6844 1 'SNF RBD2' 6844 1 'solution structure' 6844 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_U1_A _Assembly.Sf_category assembly _Assembly.Sf_framecode system_U1_A _Assembly.Entry_ID 6844 _Assembly.ID 1 _Assembly.Name 'U1 small nuclear ribonucleoprotein A' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6844 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'U1 small nuclear ribonucleoprotein A' 1 $U1_A . . . native . . . . . 6844 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 2AYM . . . . . . 6844 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'U1 small nuclear ribonucleoprotein A' abbreviation 6844 1 'U1 small nuclear ribonucleoprotein A' system 6844 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_U1_A _Entity.Sf_category entity _Entity.Sf_framecode U1_A _Entity.Entry_ID 6844 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'U1 small nuclear ribonucleoprotein A' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AQTEQPPNQILFLTNLPEET NEMMLSMLFNQFPGFKEVRL VPNRHDIAFVEFTTELQSNA AKEALQGFKITPTHAMKITF AKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 83 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2AYM . "Solution Structure Of Drosophila Melanogaster Snf Rbd2" . . . . . 100.00 83 100.00 100.00 1.13e-51 . . . . 6844 1 2 no PDB 2B0G . "Solution Structure Of Drosophila Melanogaster Snf Rbd2" . . . . . 100.00 83 100.00 100.00 1.13e-51 . . . . 6844 1 3 no GB AAA28441 . "small nuclear ribonucleoprotein [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 4 no GB AAA28903 . "nuclear protein [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 5 no GB AAF46017 . "sans fille [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 6 no GB AAL29039 . "LD45302p [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 7 no GB ACL84772 . "snf-PA, partial [synthetic construct]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 8 no REF NP_511045 . "sans fille [Drosophila melanogaster]" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 9 no REF XP_001355411 . "GA18235 [Drosophila pseudoobscura pseudoobscura]" . . . . . 98.80 216 100.00 100.00 5.01e-50 . . . . 6844 1 10 no REF XP_001964014 . "GF21334 [Drosophila ananassae]" . . . . . 98.80 216 100.00 100.00 2.92e-50 . . . . 6844 1 11 no REF XP_001976948 . "GG18748 [Drosophila erecta]" . . . . . 98.80 216 100.00 100.00 3.58e-50 . . . . 6844 1 12 no REF XP_001992159 . "GH24608 [Drosophila grimshawi]" . . . . . 98.80 216 100.00 100.00 2.92e-50 . . . . 6844 1 13 no SP P43332 . "RecName: Full=U1 small nuclear ribonucleoprotein A; Short=U1 snRNP A; Short=U1-A; Short=U1A; AltName: Full=Sex determination pr" . . . . . 100.00 216 100.00 100.00 7.07e-51 . . . . 6844 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'U1 small nuclear ribonucleoprotein A' abbreviation 6844 1 'U1 small nuclear ribonucleoprotein A' common 6844 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 1 134 ALA . 6844 1 2 135 GLN . 6844 1 3 136 THR . 6844 1 4 137 GLU . 6844 1 5 138 GLN . 6844 1 6 139 PRO . 6844 1 7 140 PRO . 6844 1 8 141 ASN . 6844 1 9 142 GLN . 6844 1 10 143 ILE . 6844 1 11 144 LEU . 6844 1 12 145 PHE . 6844 1 13 146 LEU . 6844 1 14 147 THR . 6844 1 15 148 ASN . 6844 1 16 149 LEU . 6844 1 17 150 PRO . 6844 1 18 151 GLU . 6844 1 19 152 GLU . 6844 1 20 153 THR . 6844 1 21 154 ASN . 6844 1 22 155 GLU . 6844 1 23 156 MET . 6844 1 24 157 MET . 6844 1 25 158 LEU . 6844 1 26 159 SER . 6844 1 27 160 MET . 6844 1 28 161 LEU . 6844 1 29 162 PHE . 6844 1 30 163 ASN . 6844 1 31 164 GLN . 6844 1 32 165 PHE . 6844 1 33 166 PRO . 6844 1 34 167 GLY . 6844 1 35 168 PHE . 6844 1 36 169 LYS . 6844 1 37 170 GLU . 6844 1 38 171 VAL . 6844 1 39 172 ARG . 6844 1 40 173 LEU . 6844 1 41 174 VAL . 6844 1 42 175 PRO . 6844 1 43 176 ASN . 6844 1 44 177 ARG . 6844 1 45 178 HIS . 6844 1 46 179 ASP . 6844 1 47 180 ILE . 6844 1 48 181 ALA . 6844 1 49 182 PHE . 6844 1 50 183 VAL . 6844 1 51 184 GLU . 6844 1 52 185 PHE . 6844 1 53 186 THR . 6844 1 54 187 THR . 6844 1 55 188 GLU . 6844 1 56 189 LEU . 6844 1 57 190 GLN . 6844 1 58 191 SER . 6844 1 59 192 ASN . 6844 1 60 193 ALA . 6844 1 61 194 ALA . 6844 1 62 195 LYS . 6844 1 63 196 GLU . 6844 1 64 197 ALA . 6844 1 65 198 LEU . 6844 1 66 199 GLN . 6844 1 67 200 GLY . 6844 1 68 201 PHE . 6844 1 69 202 LYS . 6844 1 70 203 ILE . 6844 1 71 204 THR . 6844 1 72 205 PRO . 6844 1 73 206 THR . 6844 1 74 207 HIS . 6844 1 75 208 ALA . 6844 1 76 209 MET . 6844 1 77 210 LYS . 6844 1 78 211 ILE . 6844 1 79 212 THR . 6844 1 80 213 PHE . 6844 1 81 214 ALA . 6844 1 82 215 LYS . 6844 1 83 216 LYS . 6844 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 . ALA 1 1 6844 1 . GLN 2 2 6844 1 . THR 3 3 6844 1 . GLU 4 4 6844 1 . GLN 5 5 6844 1 . PRO 6 6 6844 1 . PRO 7 7 6844 1 . ASN 8 8 6844 1 . GLN 9 9 6844 1 . ILE 10 10 6844 1 . LEU 11 11 6844 1 . PHE 12 12 6844 1 . LEU 13 13 6844 1 . THR 14 14 6844 1 . ASN 15 15 6844 1 . LEU 16 16 6844 1 . PRO 17 17 6844 1 . GLU 18 18 6844 1 . GLU 19 19 6844 1 . THR 20 20 6844 1 . ASN 21 21 6844 1 . GLU 22 22 6844 1 . MET 23 23 6844 1 . MET 24 24 6844 1 . LEU 25 25 6844 1 . SER 26 26 6844 1 . MET 27 27 6844 1 . LEU 28 28 6844 1 . PHE 29 29 6844 1 . ASN 30 30 6844 1 . GLN 31 31 6844 1 . PHE 32 32 6844 1 . PRO 33 33 6844 1 . GLY 34 34 6844 1 . PHE 35 35 6844 1 . LYS 36 36 6844 1 . GLU 37 37 6844 1 . VAL 38 38 6844 1 . ARG 39 39 6844 1 . LEU 40 40 6844 1 . VAL 41 41 6844 1 . PRO 42 42 6844 1 . ASN 43 43 6844 1 . ARG 44 44 6844 1 . HIS 45 45 6844 1 . ASP 46 46 6844 1 . ILE 47 47 6844 1 . ALA 48 48 6844 1 . PHE 49 49 6844 1 . VAL 50 50 6844 1 . GLU 51 51 6844 1 . PHE 52 52 6844 1 . THR 53 53 6844 1 . THR 54 54 6844 1 . GLU 55 55 6844 1 . LEU 56 56 6844 1 . GLN 57 57 6844 1 . SER 58 58 6844 1 . ASN 59 59 6844 1 . ALA 60 60 6844 1 . ALA 61 61 6844 1 . LYS 62 62 6844 1 . GLU 63 63 6844 1 . ALA 64 64 6844 1 . LEU 65 65 6844 1 . GLN 66 66 6844 1 . GLY 67 67 6844 1 . PHE 68 68 6844 1 . LYS 69 69 6844 1 . ILE 70 70 6844 1 . THR 71 71 6844 1 . PRO 72 72 6844 1 . THR 73 73 6844 1 . HIS 74 74 6844 1 . ALA 75 75 6844 1 . MET 76 76 6844 1 . LYS 77 77 6844 1 . ILE 78 78 6844 1 . THR 79 79 6844 1 . PHE 80 80 6844 1 . ALA 81 81 6844 1 . LYS 82 82 6844 1 . LYS 83 83 6844 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 6844 _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 $U1_A . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . . . . 6844 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 6844 _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 $U1_A . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6844 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6844 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'U1 small nuclear ribonucleoprotein A' '[U-15N; U-13C]' . . 1 $U1_A . . 1 . . mM . . . . 6844 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6844 1 3 EDTA . . . . . . . 1 . . mM . . . . 6844 1 4 NaCl . . . . . . . 50 . . mM . . . . 6844 1 5 H2O . . . . . . . 90 . . % . . . . 6844 1 6 D2O . . . . . . . 10 . . % . . . . 6844 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6844 _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 6844 1 pH 7.2 . pH 6844 1 pressure 1 . atm 6844 1 temperature 298 . K 6844 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6844 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6844 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 6844 _Software.ID 2 _Software.Name NMRPipe _Software.Version 2.1 _Software.Details 'Frank Delaglio' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6844 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6844 _Software.ID 3 _Software.Name NMRView _Software.Version 5 _Software.Details 'Bruce Johnson' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 6844 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6844 _Software.ID 4 _Software.Name CYANA _Software.Version 1.0.6 _Software.Details 'Peter Guntert' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6844 4 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 6844 _Software.ID 5 _Software.Name AMBER _Software.Version 7.0 _Software.Details 'David Case' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6844 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6844 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6844 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 600 . . . 6844 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 6844 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6844 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6844 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 6844 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6844 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6844 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6844 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6844 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6844 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6844 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6844 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 1 1 ALA H H 1 8.383 . . 1 . . . . . . . . 6844 1 2 . 1 1 1 1 ALA CA C 13 52.770 . . 1 . . . . . . . . 6844 1 3 . 1 1 1 1 ALA HA H 1 4.320 . . 1 . . . . . . . . 6844 1 4 . 1 1 1 1 ALA CB C 13 19.130 . . 1 . . . . . . . . 6844 1 5 . 1 1 1 1 ALA HB1 H 1 1.420 . . 1 . . . . . . . . 6844 1 6 . 1 1 1 1 ALA HB2 H 1 1.420 . . 1 . . . . . . . . 6844 1 7 . 1 1 1 1 ALA HB3 H 1 1.420 . . 1 . . . . . . . . 6844 1 8 . 1 1 1 1 ALA C C 13 177.690 . . 1 . . . . . . . . 6844 1 9 . 1 1 2 2 GLN N N 15 120.900 . . 1 . . . . . . . . 6844 1 10 . 1 1 2 2 GLN H H 1 8.483 . . 1 . . . . . . . . 6844 1 11 . 1 1 2 2 GLN CA C 13 56.100 . . 1 . . . . . . . . 6844 1 12 . 1 1 2 2 GLN HA H 1 4.430 . . 1 . . . . . . . . 6844 1 13 . 1 1 2 2 GLN CB C 13 29.600 . . 1 . . . . . . . . 6844 1 14 . 1 1 2 2 GLN HB2 H 1 2.157 . . 2 . . . . . . . . 6844 1 15 . 1 1 2 2 GLN HB3 H 1 1.997 . . 2 . . . . . . . . 6844 1 16 . 1 1 2 2 GLN CG C 13 33.960 . . 1 . . . . . . . . 6844 1 17 . 1 1 2 2 GLN HG2 H 1 2.388 . . 2 . . . . . . . . 6844 1 18 . 1 1 2 2 GLN NE2 N 15 113.500 . . 1 . . . . . . . . 6844 1 19 . 1 1 2 2 GLN HE21 H 1 7.583 . . 2 . . . . . . . . 6844 1 20 . 1 1 2 2 GLN HE22 H 1 6.840 . . 2 . . . . . . . . 6844 1 21 . 1 1 2 2 GLN C C 13 176.122 . . 1 . . . . . . . . 6844 1 22 . 1 1 3 3 THR N N 15 116.410 . . 1 . . . . . . . . 6844 1 23 . 1 1 3 3 THR H H 1 8.218 . . 1 . . . . . . . . 6844 1 24 . 1 1 3 3 THR CA C 13 61.930 . . 1 . . . . . . . . 6844 1 25 . 1 1 3 3 THR HA H 1 4.370 . . 1 . . . . . . . . 6844 1 26 . 1 1 3 3 THR CB C 13 70.100 . . 1 . . . . . . . . 6844 1 27 . 1 1 3 3 THR HB H 1 4.244 . . 1 . . . . . . . . 6844 1 28 . 1 1 3 3 THR CG2 C 13 21.810 . . 1 . . . . . . . . 6844 1 29 . 1 1 3 3 THR HG21 H 1 1.230 . . 1 . . . . . . . . 6844 1 30 . 1 1 3 3 THR HG22 H 1 1.230 . . 1 . . . . . . . . 6844 1 31 . 1 1 3 3 THR HG23 H 1 1.230 . . 1 . . . . . . . . 6844 1 32 . 1 1 3 3 THR C C 13 174.589 . . 1 . . . . . . . . 6844 1 33 . 1 1 4 4 GLU N N 15 124.410 . . 1 . . . . . . . . 6844 1 34 . 1 1 4 4 GLU H H 1 8.486 . . 1 . . . . . . . . 6844 1 35 . 1 1 4 4 GLU CA C 13 56.610 . . 1 . . . . . . . . 6844 1 36 . 1 1 4 4 GLU HA H 1 4.436 . . 1 . . . . . . . . 6844 1 37 . 1 1 4 4 GLU CB C 13 30.600 . . 1 . . . . . . . . 6844 1 38 . 1 1 4 4 GLU HB2 H 1 2.120 . . 2 . . . . . . . . 6844 1 39 . 1 1 4 4 GLU HB3 H 1 2.000 . . 2 . . . . . . . . 6844 1 40 . 1 1 4 4 GLU CG C 13 36.290 . . 1 . . . . . . . . 6844 1 41 . 1 1 4 4 GLU HG2 H 1 2.390 . . 2 . . . . . . . . 6844 1 42 . 1 1 4 4 GLU HG3 H 1 2.326 . . 2 . . . . . . . . 6844 1 43 . 1 1 5 5 GLN N N 15 124.040 . . 1 . . . . . . . . 6844 1 44 . 1 1 5 5 GLN H H 1 8.567 . . 1 . . . . . . . . 6844 1 45 . 1 1 5 5 GLN CA C 13 53.700 . . 1 . . . . . . . . 6844 1 46 . 1 1 5 5 GLN HA H 1 4.620 . . 1 . . . . . . . . 6844 1 47 . 1 1 5 5 GLN CB C 13 28.850 . . 1 . . . . . . . . 6844 1 48 . 1 1 5 5 GLN HB2 H 1 2.322 . . 2 . . . . . . . . 6844 1 49 . 1 1 5 5 GLN HB3 H 1 2.080 . . 2 . . . . . . . . 6844 1 50 . 1 1 5 5 GLN CG C 13 33.660 . . 1 . . . . . . . . 6844 1 51 . 1 1 5 5 GLN HG2 H 1 2.594 . . 2 . . . . . . . . 6844 1 52 . 1 1 5 5 GLN HG3 H 1 2.423 . . 2 . . . . . . . . 6844 1 53 . 1 1 5 5 GLN NE2 N 15 114.298 . . 1 . . . . . . . . 6844 1 54 . 1 1 5 5 GLN HE21 H 1 7.632 . . 2 . . . . . . . . 6844 1 55 . 1 1 5 5 GLN HE22 H 1 6.992 . . 2 . . . . . . . . 6844 1 56 . 1 1 6 6 PRO CA C 13 61.430 . . 1 . . . . . . . . 6844 1 57 . 1 1 6 6 PRO HA H 1 4.650 . . 1 . . . . . . . . 6844 1 58 . 1 1 6 6 PRO CB C 13 30.850 . . 1 . . . . . . . . 6844 1 59 . 1 1 6 6 PRO HB2 H 1 2.316 . . 2 . . . . . . . . 6844 1 60 . 1 1 6 6 PRO HB3 H 1 1.850 . . 2 . . . . . . . . 6844 1 61 . 1 1 6 6 PRO CG C 13 27.300 . . 1 . . . . . . . . 6844 1 62 . 1 1 6 6 PRO HG2 H 1 2.036 . . 2 . . . . . . . . 6844 1 63 . 1 1 6 6 PRO HG3 H 1 1.964 . . 2 . . . . . . . . 6844 1 64 . 1 1 6 6 PRO CD C 13 50.610 . . 1 . . . . . . . . 6844 1 65 . 1 1 6 6 PRO HD2 H 1 3.760 . . 2 . . . . . . . . 6844 1 66 . 1 1 7 7 PRO CA C 13 62.700 . . 1 . . . . . . . . 6844 1 67 . 1 1 7 7 PRO HA H 1 1.585 . . 1 . . . . . . . . 6844 1 68 . 1 1 7 7 PRO CB C 13 32.210 . . 1 . . . . . . . . 6844 1 69 . 1 1 7 7 PRO HB2 H 1 1.527 . . 2 . . . . . . . . 6844 1 70 . 1 1 7 7 PRO HB3 H 1 1.408 . . 2 . . . . . . . . 6844 1 71 . 1 1 7 7 PRO CG C 13 27.600 . . 1 . . . . . . . . 6844 1 72 . 1 1 7 7 PRO HG2 H 1 1.882 . . 2 . . . . . . . . 6844 1 73 . 1 1 7 7 PRO HG3 H 1 1.675 . . 2 . . . . . . . . 6844 1 74 . 1 1 7 7 PRO CD C 13 50.090 . . 1 . . . . . . . . 6844 1 75 . 1 1 7 7 PRO HD2 H 1 3.693 . . 2 . . . . . . . . 6844 1 76 . 1 1 7 7 PRO HD3 H 1 3.351 . . 2 . . . . . . . . 6844 1 77 . 1 1 7 7 PRO C C 13 174.641 . . 1 . . . . . . . . 6844 1 78 . 1 1 8 8 ASN N N 15 118.448 . . 1 . . . . . . . . 6844 1 79 . 1 1 8 8 ASN H H 1 6.401 . . 1 . . . . . . . . 6844 1 80 . 1 1 8 8 ASN CA C 13 51.740 . . 1 . . . . . . . . 6844 1 81 . 1 1 8 8 ASN HA H 1 4.846 . . 1 . . . . . . . . 6844 1 82 . 1 1 8 8 ASN CB C 13 41.750 . . 1 . . . . . . . . 6844 1 83 . 1 1 8 8 ASN HB2 H 1 3.180 . . 2 . . . . . . . . 6844 1 84 . 1 1 8 8 ASN HB3 H 1 2.919 . . 2 . . . . . . . . 6844 1 85 . 1 1 8 8 ASN ND2 N 15 113.500 . . 1 . . . . . . . . 6844 1 86 . 1 1 8 8 ASN HD21 H 1 7.530 . . 2 . . . . . . . . 6844 1 87 . 1 1 8 8 ASN HD22 H 1 7.021 . . 2 . . . . . . . . 6844 1 88 . 1 1 8 8 ASN C C 13 174.589 . . 1 . . . . . . . . 6844 1 89 . 1 1 9 9 GLN N N 15 126.580 . . 1 . . . . . . . . 6844 1 90 . 1 1 9 9 GLN H H 1 9.433 . . 1 . . . . . . . . 6844 1 91 . 1 1 9 9 GLN CA C 13 59.000 . . 1 . . . . . . . . 6844 1 92 . 1 1 9 9 GLN HA H 1 4.134 . . 1 . . . . . . . . 6844 1 93 . 1 1 9 9 GLN CB C 13 27.850 . . 1 . . . . . . . . 6844 1 94 . 1 1 9 9 GLN HB2 H 1 2.270 . . 2 . . . . . . . . 6844 1 95 . 1 1 9 9 GLN HB3 H 1 2.181 . . 2 . . . . . . . . 6844 1 96 . 1 1 9 9 GLN CG C 13 34.270 . . 1 . . . . . . . . 6844 1 97 . 1 1 9 9 GLN HG2 H 1 2.380 . . 1 . . . . . . . . 6844 1 98 . 1 1 9 9 GLN HG3 H 1 2.380 . . 1 . . . . . . . . 6844 1 99 . 1 1 9 9 GLN NE2 N 15 112.584 . . 1 . . . . . . . . 6844 1 100 . 1 1 9 9 GLN HE21 H 1 7.666 . . 2 . . . . . . . . 6844 1 101 . 1 1 9 9 GLN HE22 H 1 6.897 . . 2 . . . . . . . . 6844 1 102 . 1 1 9 9 GLN C C 13 173.212 . . 1 . . . . . . . . 6844 1 103 . 1 1 10 10 ILE N N 15 119.780 . . 1 . . . . . . . . 6844 1 104 . 1 1 10 10 ILE H H 1 7.892 . . 1 . . . . . . . . 6844 1 105 . 1 1 10 10 ILE CA C 13 60.350 . . 1 . . . . . . . . 6844 1 106 . 1 1 10 10 ILE HA H 1 5.030 . . 1 . . . . . . . . 6844 1 107 . 1 1 10 10 ILE CB C 13 39.000 . . 1 . . . . . . . . 6844 1 108 . 1 1 10 10 ILE HB H 1 1.728 . . 1 . . . . . . . . 6844 1 109 . 1 1 10 10 ILE CG1 C 13 28.900 . . 2 . . . . . . . . 6844 1 110 . 1 1 10 10 ILE HG13 H 1 0.833 . . 1 . . . . . . . . 6844 1 111 . 1 1 10 10 ILE HG12 H 1 0.782 . . 1 . . . . . . . . 6844 1 112 . 1 1 10 10 ILE CD1 C 13 13.370 . . 1 . . . . . . . . 6844 1 113 . 1 1 10 10 ILE HD11 H 1 0.781 . . 1 . . . . . . . . 6844 1 114 . 1 1 10 10 ILE HD12 H 1 0.781 . . 1 . . . . . . . . 6844 1 115 . 1 1 10 10 ILE HD13 H 1 0.781 . . 1 . . . . . . . . 6844 1 116 . 1 1 10 10 ILE CG2 C 13 18.980 . . 1 . . . . . . . . 6844 1 117 . 1 1 10 10 ILE HG21 H 1 1.024 . . 1 . . . . . . . . 6844 1 118 . 1 1 10 10 ILE HG22 H 1 1.024 . . 1 . . . . . . . . 6844 1 119 . 1 1 10 10 ILE HG23 H 1 1.024 . . 1 . . . . . . . . 6844 1 120 . 1 1 10 10 ILE C C 13 175.233 . . 1 . . . . . . . . 6844 1 121 . 1 1 11 11 LEU N N 15 125.920 . . 1 . . . . . . . . 6844 1 122 . 1 1 11 11 LEU H H 1 9.678 . . 1 . . . . . . . . 6844 1 123 . 1 1 11 11 LEU CA C 13 53.050 . . 1 . . . . . . . . 6844 1 124 . 1 1 11 11 LEU HA H 1 5.094 . . 1 . . . . . . . . 6844 1 125 . 1 1 11 11 LEU CB C 13 44.620 . . 1 . . . . . . . . 6844 1 126 . 1 1 11 11 LEU HB2 H 1 1.836 . . 2 . . . . . . . . 6844 1 127 . 1 1 11 11 LEU HB3 H 1 1.293 . . 2 . . . . . . . . 6844 1 128 . 1 1 11 11 LEU CG C 13 26.680 . . 1 . . . . . . . . 6844 1 129 . 1 1 11 11 LEU HG H 1 1.921 . . 1 . . . . . . . . 6844 1 130 . 1 1 11 11 LEU CD1 C 13 25.000 . . 1 . . . . . . . . 6844 1 131 . 1 1 11 11 LEU HD11 H 1 0.920 . . 2 . . . . . . . . 6844 1 132 . 1 1 11 11 LEU HD12 H 1 0.920 . . 2 . . . . . . . . 6844 1 133 . 1 1 11 11 LEU HD13 H 1 0.920 . . 2 . . . . . . . . 6844 1 134 . 1 1 11 11 LEU CD2 C 13 23.570 . . 1 . . . . . . . . 6844 1 135 . 1 1 11 11 LEU HD21 H 1 0.724 . . 2 . . . . . . . . 6844 1 136 . 1 1 11 11 LEU HD22 H 1 0.724 . . 2 . . . . . . . . 6844 1 137 . 1 1 11 11 LEU HD23 H 1 0.724 . . 2 . . . . . . . . 6844 1 138 . 1 1 11 11 LEU C C 13 175.233 . . 1 . . . . . . . . 6844 1 139 . 1 1 12 12 PHE N N 15 123.690 . . 1 . . . . . . . . 6844 1 140 . 1 1 12 12 PHE H H 1 9.411 . . 1 . . . . . . . . 6844 1 141 . 1 1 12 12 PHE CA C 13 55.070 . . 1 . . . . . . . . 6844 1 142 . 1 1 12 12 PHE HA H 1 5.158 . . 1 . . . . . . . . 6844 1 143 . 1 1 12 12 PHE CB C 13 41.070 . . 1 . . . . . . . . 6844 1 144 . 1 1 12 12 PHE HB2 H 1 2.982 . . 2 . . . . . . . . 6844 1 145 . 1 1 12 12 PHE HB3 H 1 2.590 . . 2 . . . . . . . . 6844 1 146 . 1 1 12 12 PHE HD2 H 1 6.570 . . 3 . . . . . . . . 6844 1 147 . 1 1 12 12 PHE HE1 H 1 7.190 . . 3 . . . . . . . . 6844 1 148 . 1 1 12 12 PHE HZ H 1 6.880 . . 1 . . . . . . . . 6844 1 149 . 1 1 12 12 PHE C C 13 173.177 . . 1 . . . . . . . . 6844 1 150 . 1 1 13 13 LEU N N 15 130.080 . . 1 . . . . . . . . 6844 1 151 . 1 1 13 13 LEU H H 1 8.780 . . 1 . . . . . . . . 6844 1 152 . 1 1 13 13 LEU CA C 13 52.850 . . 1 . . . . . . . . 6844 1 153 . 1 1 13 13 LEU HA H 1 5.115 . . 1 . . . . . . . . 6844 1 154 . 1 1 13 13 LEU CB C 13 44.080 . . 1 . . . . . . . . 6844 1 155 . 1 1 13 13 LEU HB2 H 1 1.537 . . 2 . . . . . . . . 6844 1 156 . 1 1 13 13 LEU HB3 H 1 1.302 . . 2 . . . . . . . . 6844 1 157 . 1 1 13 13 LEU CG C 13 28.450 . . 1 . . . . . . . . 6844 1 158 . 1 1 13 13 LEU HG H 1 1.556 . . 1 . . . . . . . . 6844 1 159 . 1 1 13 13 LEU CD1 C 13 25.800 . . 1 . . . . . . . . 6844 1 160 . 1 1 13 13 LEU HD11 H 1 0.850 . . 2 . . . . . . . . 6844 1 161 . 1 1 13 13 LEU HD12 H 1 0.850 . . 2 . . . . . . . . 6844 1 162 . 1 1 13 13 LEU HD13 H 1 0.850 . . 2 . . . . . . . . 6844 1 163 . 1 1 13 13 LEU CD2 C 13 26.000 . . 1 . . . . . . . . 6844 1 164 . 1 1 13 13 LEU HD21 H 1 0.780 . . 2 . . . . . . . . 6844 1 165 . 1 1 13 13 LEU HD22 H 1 0.780 . . 2 . . . . . . . . 6844 1 166 . 1 1 13 13 LEU HD23 H 1 0.780 . . 2 . . . . . . . . 6844 1 167 . 1 1 13 13 LEU C C 13 175.129 . . 1 . . . . . . . . 6844 1 168 . 1 1 14 14 THR N N 15 108.810 . . 1 . . . . . . . . 6844 1 169 . 1 1 14 14 THR H H 1 8.502 . . 1 . . . . . . . . 6844 1 170 . 1 1 14 14 THR CA C 13 59.430 . . 1 . . . . . . . . 6844 1 171 . 1 1 14 14 THR HA H 1 5.011 . . 1 . . . . . . . . 6844 1 172 . 1 1 14 14 THR CB C 13 72.300 . . 1 . . . . . . . . 6844 1 173 . 1 1 14 14 THR HB H 1 4.191 . . 1 . . . . . . . . 6844 1 174 . 1 1 14 14 THR CG2 C 13 22.850 . . 1 . . . . . . . . 6844 1 175 . 1 1 14 14 THR HG21 H 1 0.659 . . 1 . . . . . . . . 6844 1 176 . 1 1 14 14 THR HG22 H 1 0.659 . . 1 . . . . . . . . 6844 1 177 . 1 1 14 14 THR HG23 H 1 0.659 . . 1 . . . . . . . . 6844 1 178 . 1 1 14 14 THR C C 13 174.066 . . 1 . . . . . . . . 6844 1 179 . 1 1 15 15 ASN N N 15 116.105 . . 1 . . . . . . . . 6844 1 180 . 1 1 15 15 ASN H H 1 8.841 . . 1 . . . . . . . . 6844 1 181 . 1 1 15 15 ASN CA C 13 54.040 . . 1 . . . . . . . . 6844 1 182 . 1 1 15 15 ASN HA H 1 4.440 . . 1 . . . . . . . . 6844 1 183 . 1 1 15 15 ASN CB C 13 38.940 . . 1 . . . . . . . . 6844 1 184 . 1 1 15 15 ASN HB2 H 1 3.750 . . 2 . . . . . . . . 6844 1 185 . 1 1 15 15 ASN HB3 H 1 2.512 . . 2 . . . . . . . . 6844 1 186 . 1 1 15 15 ASN ND2 N 15 111.951 . . 1 . . . . . . . . 6844 1 187 . 1 1 15 15 ASN HD21 H 1 7.967 . . 2 . . . . . . . . 6844 1 188 . 1 1 15 15 ASN HD22 H 1 6.810 . . 2 . . . . . . . . 6844 1 189 . 1 1 15 15 ASN C C 13 174.745 . . 1 . . . . . . . . 6844 1 190 . 1 1 16 16 LEU N N 15 116.330 . . 1 . . . . . . . . 6844 1 191 . 1 1 16 16 LEU H H 1 8.127 . . 1 . . . . . . . . 6844 1 192 . 1 1 16 16 LEU CA C 13 52.500 . . 1 . . . . . . . . 6844 1 193 . 1 1 16 16 LEU HA H 1 4.420 . . 1 . . . . . . . . 6844 1 194 . 1 1 16 16 LEU CB C 13 38.890 . . 1 . . . . . . . . 6844 1 195 . 1 1 16 16 LEU HB2 H 1 1.801 . . 2 . . . . . . . . 6844 1 196 . 1 1 16 16 LEU HB3 H 1 1.620 . . 2 . . . . . . . . 6844 1 197 . 1 1 16 16 LEU CG C 13 26.600 . . 1 . . . . . . . . 6844 1 198 . 1 1 16 16 LEU HG H 1 0.578 . . 1 . . . . . . . . 6844 1 199 . 1 1 16 16 LEU CD1 C 13 23.200 . . 1 . . . . . . . . 6844 1 200 . 1 1 16 16 LEU HD11 H 1 0.761 . . 2 . . . . . . . . 6844 1 201 . 1 1 16 16 LEU HD12 H 1 0.761 . . 2 . . . . . . . . 6844 1 202 . 1 1 16 16 LEU HD13 H 1 0.761 . . 2 . . . . . . . . 6844 1 203 . 1 1 17 17 PRO CA C 13 61.850 . . 1 . . . . . . . . 6844 1 204 . 1 1 17 17 PRO HA H 1 3.791 . . 1 . . . . . . . . 6844 1 205 . 1 1 17 17 PRO CB C 13 31.730 . . 1 . . . . . . . . 6844 1 206 . 1 1 17 17 PRO HB2 H 1 1.990 . . 2 . . . . . . . . 6844 1 207 . 1 1 17 17 PRO HB3 H 1 1.100 . . 2 . . . . . . . . 6844 1 208 . 1 1 17 17 PRO CG C 13 27.100 . . 1 . . . . . . . . 6844 1 209 . 1 1 17 17 PRO HG2 H 1 1.726 . . 1 . . . . . . . . 6844 1 210 . 1 1 17 17 PRO HG3 H 1 1.726 . . 1 . . . . . . . . 6844 1 211 . 1 1 17 17 PRO CD C 13 49.500 . . 1 . . . . . . . . 6844 1 212 . 1 1 17 17 PRO HD2 H 1 3.634 . . 2 . . . . . . . . 6844 1 213 . 1 1 17 17 PRO HD3 H 1 3.408 . . 2 . . . . . . . . 6844 1 214 . 1 1 17 17 PRO C C 13 177.411 . . 1 . . . . . . . . 6844 1 215 . 1 1 18 18 GLU N N 15 121.430 . . 1 . . . . . . . . 6844 1 216 . 1 1 18 18 GLU H H 1 8.801 . . 1 . . . . . . . . 6844 1 217 . 1 1 18 18 GLU CA C 13 59.150 . . 1 . . . . . . . . 6844 1 218 . 1 1 18 18 GLU HA H 1 3.566 . . 1 . . . . . . . . 6844 1 219 . 1 1 18 18 GLU CB C 13 29.300 . . 1 . . . . . . . . 6844 1 220 . 1 1 18 18 GLU HB2 H 1 1.810 . . 1 . . . . . . . . 6844 1 221 . 1 1 18 18 GLU HB3 H 1 1.810 . . 1 . . . . . . . . 6844 1 222 . 1 1 18 18 GLU CG C 13 36.478 . . 1 . . . . . . . . 6844 1 223 . 1 1 18 18 GLU HG2 H 1 2.104 . . 1 . . . . . . . . 6844 1 224 . 1 1 18 18 GLU HG3 H 1 2.104 . . 1 . . . . . . . . 6844 1 225 . 1 1 18 18 GLU C C 13 177.010 . . 1 . . . . . . . . 6844 1 226 . 1 1 19 19 GLU N N 15 115.330 . . 1 . . . . . . . . 6844 1 227 . 1 1 19 19 GLU H H 1 8.711 . . 1 . . . . . . . . 6844 1 228 . 1 1 19 19 GLU CA C 13 57.650 . . 1 . . . . . . . . 6844 1 229 . 1 1 19 19 GLU HA H 1 4.071 . . 1 . . . . . . . . 6844 1 230 . 1 1 19 19 GLU CB C 13 28.400 . . 1 . . . . . . . . 6844 1 231 . 1 1 19 19 GLU HB2 H 1 2.020 . . 2 . . . . . . . . 6844 1 232 . 1 1 19 19 GLU HB3 H 1 1.910 . . 2 . . . . . . . . 6844 1 233 . 1 1 19 19 GLU CG C 13 36.560 . . 1 . . . . . . . . 6844 1 234 . 1 1 19 19 GLU HG2 H 1 2.155 . . 1 . . . . . . . . 6844 1 235 . 1 1 19 19 GLU HG3 H 1 2.155 . . 1 . . . . . . . . 6844 1 236 . 1 1 19 19 GLU C C 13 175.791 . . 1 . . . . . . . . 6844 1 237 . 1 1 20 20 THR N N 15 118.180 . . 1 . . . . . . . . 6844 1 238 . 1 1 20 20 THR H H 1 7.462 . . 1 . . . . . . . . 6844 1 239 . 1 1 20 20 THR CA C 13 66.150 . . 1 . . . . . . . . 6844 1 240 . 1 1 20 20 THR HA H 1 3.954 . . 1 . . . . . . . . 6844 1 241 . 1 1 20 20 THR CB C 13 68.700 . . 1 . . . . . . . . 6844 1 242 . 1 1 20 20 THR HB H 1 4.089 . . 1 . . . . . . . . 6844 1 243 . 1 1 20 20 THR CG2 C 13 22.800 . . 1 . . . . . . . . 6844 1 244 . 1 1 20 20 THR HG21 H 1 1.180 . . 1 . . . . . . . . 6844 1 245 . 1 1 20 20 THR HG22 H 1 1.180 . . 1 . . . . . . . . 6844 1 246 . 1 1 20 20 THR HG23 H 1 1.180 . . 1 . . . . . . . . 6844 1 247 . 1 1 20 20 THR HG1 H 1 5.656 . . 1 . . . . . . . . 6844 1 248 . 1 1 20 20 THR C C 13 173.665 . . 1 . . . . . . . . 6844 1 249 . 1 1 21 21 ASN N N 15 121.390 . . 1 . . . . . . . . 6844 1 250 . 1 1 21 21 ASN H H 1 7.257 . . 1 . . . . . . . . 6844 1 251 . 1 1 21 21 ASN CA C 13 51.180 . . 1 . . . . . . . . 6844 1 252 . 1 1 21 21 ASN HA H 1 4.870 . . 1 . . . . . . . . 6844 1 253 . 1 1 21 21 ASN CB C 13 40.670 . . 1 . . . . . . . . 6844 1 254 . 1 1 21 21 ASN HB2 H 1 3.241 . . 2 . . . . . . . . 6844 1 255 . 1 1 21 21 ASN HB3 H 1 2.965 . . 2 . . . . . . . . 6844 1 256 . 1 1 21 21 ASN ND2 N 15 113.900 . . 1 . . . . . . . . 6844 1 257 . 1 1 21 21 ASN HD21 H 1 7.583 . . 2 . . . . . . . . 6844 1 258 . 1 1 21 21 ASN HD22 H 1 6.840 . . 2 . . . . . . . . 6844 1 259 . 1 1 21 21 ASN C C 13 174.380 . . 1 . . . . . . . . 6844 1 260 . 1 1 22 22 GLU N N 15 119.810 . . 1 . . . . . . . . 6844 1 261 . 1 1 22 22 GLU H H 1 9.365 . . 1 . . . . . . . . 6844 1 262 . 1 1 22 22 GLU CA C 13 60.850 . . 1 . . . . . . . . 6844 1 263 . 1 1 22 22 GLU HA H 1 3.807 . . 1 . . . . . . . . 6844 1 264 . 1 1 22 22 GLU CB C 13 29.600 . . 1 . . . . . . . . 6844 1 265 . 1 1 22 22 GLU HB2 H 1 2.160 . . 2 . . . . . . . . 6844 1 266 . 1 1 22 22 GLU HB3 H 1 2.095 . . 2 . . . . . . . . 6844 1 267 . 1 1 22 22 GLU CG C 13 36.539 . . 1 . . . . . . . . 6844 1 268 . 1 1 22 22 GLU HG2 H 1 2.301 . . 1 . . . . . . . . 6844 1 269 . 1 1 22 22 GLU HG3 H 1 2.301 . . 1 . . . . . . . . 6844 1 270 . 1 1 22 22 GLU C C 13 178.369 . . 1 . . . . . . . . 6844 1 271 . 1 1 23 23 MET N N 15 122.220 . . 1 . . . . . . . . 6844 1 272 . 1 1 23 23 MET H H 1 8.490 . . 1 . . . . . . . . 6844 1 273 . 1 1 23 23 MET CA C 13 59.050 . . 1 . . . . . . . . 6844 1 274 . 1 1 23 23 MET HA H 1 4.244 . . 1 . . . . . . . . 6844 1 275 . 1 1 23 23 MET CB C 13 31.800 . . 1 . . . . . . . . 6844 1 276 . 1 1 23 23 MET HB2 H 1 2.190 . . 2 . . . . . . . . 6844 1 277 . 1 1 23 23 MET HB3 H 1 2.080 . . 2 . . . . . . . . 6844 1 278 . 1 1 23 23 MET CG C 13 32.060 . . 1 . . . . . . . . 6844 1 279 . 1 1 23 23 MET HG2 H 1 2.650 . . 2 . . . . . . . . 6844 1 280 . 1 1 23 23 MET HG3 H 1 2.540 . . 2 . . . . . . . . 6844 1 281 . 1 1 23 23 MET C C 13 178.820 . . 1 . . . . . . . . 6844 1 282 . 1 1 24 24 MET N N 15 119.530 . . 1 . . . . . . . . 6844 1 283 . 1 1 24 24 MET H H 1 8.421 . . 1 . . . . . . . . 6844 1 284 . 1 1 24 24 MET CA C 13 58.990 . . 1 . . . . . . . . 6844 1 285 . 1 1 24 24 MET HA H 1 4.059 . . 1 . . . . . . . . 6844 1 286 . 1 1 24 24 MET CB C 13 34.310 . . 1 . . . . . . . . 6844 1 287 . 1 1 24 24 MET HB2 H 1 2.340 . . 2 . . . . . . . . 6844 1 288 . 1 1 24 24 MET HB3 H 1 2.111 . . 2 . . . . . . . . 6844 1 289 . 1 1 24 24 MET CG C 13 31.800 . . 1 . . . . . . . . 6844 1 290 . 1 1 24 24 MET HG2 H 1 2.746 . . 2 . . . . . . . . 6844 1 291 . 1 1 24 24 MET HG3 H 1 2.529 . . 2 . . . . . . . . 6844 1 292 . 1 1 24 24 MET C C 13 178.752 . . 1 . . . . . . . . 6844 1 293 . 1 1 25 25 LEU N N 15 115.730 . . 1 . . . . . . . . 6844 1 294 . 1 1 25 25 LEU H H 1 7.422 . . 1 . . . . . . . . 6844 1 295 . 1 1 25 25 LEU CA C 13 57.300 . . 1 . . . . . . . . 6844 1 296 . 1 1 25 25 LEU HA H 1 4.270 . . 1 . . . . . . . . 6844 1 297 . 1 1 25 25 LEU CB C 13 43.570 . . 1 . . . . . . . . 6844 1 298 . 1 1 25 25 LEU HB2 H 1 2.037 . . 2 . . . . . . . . 6844 1 299 . 1 1 25 25 LEU HB3 H 1 1.316 . . 2 . . . . . . . . 6844 1 300 . 1 1 25 25 LEU CG C 13 26.350 . . 1 . . . . . . . . 6844 1 301 . 1 1 25 25 LEU HG H 1 0.665 . . 1 . . . . . . . . 6844 1 302 . 1 1 25 25 LEU CD1 C 13 22.500 . . 1 . . . . . . . . 6844 1 303 . 1 1 25 25 LEU HD11 H 1 0.840 . . 2 . . . . . . . . 6844 1 304 . 1 1 25 25 LEU HD12 H 1 0.840 . . 2 . . . . . . . . 6844 1 305 . 1 1 25 25 LEU HD13 H 1 0.840 . . 2 . . . . . . . . 6844 1 306 . 1 1 25 25 LEU CD2 C 13 27.000 . . 1 . . . . . . . . 6844 1 307 . 1 1 25 25 LEU HD21 H 1 1.870 . . 2 . . . . . . . . 6844 1 308 . 1 1 25 25 LEU HD22 H 1 1.870 . . 2 . . . . . . . . 6844 1 309 . 1 1 25 25 LEU HD23 H 1 1.870 . . 2 . . . . . . . . 6844 1 310 . 1 1 25 25 LEU C C 13 179.360 . . 1 . . . . . . . . 6844 1 311 . 1 1 26 26 SER N N 15 118.340 . . 1 . . . . . . . . 6844 1 312 . 1 1 26 26 SER H H 1 9.110 . . 1 . . . . . . . . 6844 1 313 . 1 1 26 26 SER CA C 13 62.850 . . 1 . . . . . . . . 6844 1 314 . 1 1 26 26 SER HA H 1 3.896 . . 1 . . . . . . . . 6844 1 315 . 1 1 26 26 SER CB C 13 62.850 . . 1 . . . . . . . . 6844 1 316 . 1 1 26 26 SER HB2 H 1 4.111 . . 2 . . . . . . . . 6844 1 317 . 1 1 26 26 SER HB3 H 1 4.017 . . 2 . . . . . . . . 6844 1 318 . 1 1 26 26 SER C C 13 175.477 . . 1 . . . . . . . . 6844 1 319 . 1 1 27 27 MET N N 15 118.660 . . 1 . . . . . . . . 6844 1 320 . 1 1 27 27 MET H H 1 7.988 . . 1 . . . . . . . . 6844 1 321 . 1 1 27 27 MET CA C 13 58.200 . . 1 . . . . . . . . 6844 1 322 . 1 1 27 27 MET HA H 1 4.050 . . 1 . . . . . . . . 6844 1 323 . 1 1 27 27 MET CB C 13 32.190 . . 1 . . . . . . . . 6844 1 324 . 1 1 27 27 MET HB2 H 1 2.175 . . 1 . . . . . . . . 6844 1 325 . 1 1 27 27 MET HB3 H 1 2.175 . . 1 . . . . . . . . 6844 1 326 . 1 1 27 27 MET CG C 13 32.200 . . 1 . . . . . . . . 6844 1 327 . 1 1 27 27 MET HG2 H 1 2.695 . . 1 . . . . . . . . 6844 1 328 . 1 1 27 27 MET HG3 H 1 2.695 . . 1 . . . . . . . . 6844 1 329 . 1 1 27 27 MET CE C 13 17.250 . . 1 . . . . . . . . 6844 1 330 . 1 1 27 27 MET HE1 H 1 2.100 . . 1 . . . . . . . . 6844 1 331 . 1 1 27 27 MET HE2 H 1 2.100 . . 1 . . . . . . . . 6844 1 332 . 1 1 27 27 MET HE3 H 1 2.100 . . 1 . . . . . . . . 6844 1 333 . 1 1 27 27 MET C C 13 177.725 . . 1 . . . . . . . . 6844 1 334 . 1 1 28 28 LEU N N 15 117.380 . . 1 . . . . . . . . 6844 1 335 . 1 1 28 28 LEU H H 1 7.032 . . 1 . . . . . . . . 6844 1 336 . 1 1 28 28 LEU CA C 13 56.730 . . 1 . . . . . . . . 6844 1 337 . 1 1 28 28 LEU HA H 1 4.048 . . 1 . . . . . . . . 6844 1 338 . 1 1 28 28 LEU CB C 13 42.790 . . 1 . . . . . . . . 6844 1 339 . 1 1 28 28 LEU HB2 H 1 1.008 . . 2 . . . . . . . . 6844 1 340 . 1 1 28 28 LEU HB3 H 1 1.636 . . 2 . . . . . . . . 6844 1 341 . 1 1 28 28 LEU CG C 13 25.850 . . 1 . . . . . . . . 6844 1 342 . 1 1 28 28 LEU HG H 1 1.466 . . 1 . . . . . . . . 6844 1 343 . 1 1 28 28 LEU CD1 C 13 23.320 . . 1 . . . . . . . . 6844 1 344 . 1 1 28 28 LEU HD11 H 1 0.343 . . 2 . . . . . . . . 6844 1 345 . 1 1 28 28 LEU HD12 H 1 0.343 . . 2 . . . . . . . . 6844 1 346 . 1 1 28 28 LEU HD13 H 1 0.343 . . 2 . . . . . . . . 6844 1 347 . 1 1 28 28 LEU CD2 C 13 24.800 . . 1 . . . . . . . . 6844 1 348 . 1 1 28 28 LEU HD21 H 1 0.500 . . 2 . . . . . . . . 6844 1 349 . 1 1 28 28 LEU HD22 H 1 0.500 . . 2 . . . . . . . . 6844 1 350 . 1 1 28 28 LEU HD23 H 1 0.500 . . 2 . . . . . . . . 6844 1 351 . 1 1 28 28 LEU C C 13 178.544 . . 1 . . . . . . . . 6844 1 352 . 1 1 29 29 PHE N N 15 114.460 . . 1 . . . . . . . . 6844 1 353 . 1 1 29 29 PHE H H 1 7.725 . . 1 . . . . . . . . 6844 1 354 . 1 1 29 29 PHE CA C 13 62.290 . . 1 . . . . . . . . 6844 1 355 . 1 1 29 29 PHE HA H 1 4.344 . . 1 . . . . . . . . 6844 1 356 . 1 1 29 29 PHE CB C 13 40.510 . . 1 . . . . . . . . 6844 1 357 . 1 1 29 29 PHE HB2 H 1 3.069 . . 2 . . . . . . . . 6844 1 358 . 1 1 29 29 PHE HB3 H 1 2.327 . . 2 . . . . . . . . 6844 1 359 . 1 1 29 29 PHE HD1 H 1 7.538 . . 3 . . . . . . . . 6844 1 360 . 1 1 29 29 PHE HE1 H 1 7.390 . . 3 . . . . . . . . 6844 1 361 . 1 1 29 29 PHE HZ H 1 7.080 . . 1 . . . . . . . . 6844 1 362 . 1 1 29 29 PHE C C 13 176.418 . . 1 . . . . . . . . 6844 1 363 . 1 1 30 30 ASN N N 15 116.540 . . 1 . . . . . . . . 6844 1 364 . 1 1 30 30 ASN H H 1 8.323 . . 1 . . . . . . . . 6844 1 365 . 1 1 30 30 ASN CA C 13 54.100 . . 1 . . . . . . . . 6844 1 366 . 1 1 30 30 ASN HA H 1 4.040 . . 1 . . . . . . . . 6844 1 367 . 1 1 30 30 ASN CB C 13 37.630 . . 1 . . . . . . . . 6844 1 368 . 1 1 30 30 ASN HB2 H 1 2.560 . . 2 . . . . . . . . 6844 1 369 . 1 1 30 30 ASN HB3 H 1 2.250 . . 2 . . . . . . . . 6844 1 370 . 1 1 30 30 ASN ND2 N 15 110.590 . . 1 . . . . . . . . 6844 1 371 . 1 1 30 30 ASN HD21 H 1 6.532 . . 2 . . . . . . . . 6844 1 372 . 1 1 30 30 ASN HD22 H 1 7.270 . . 2 . . . . . . . . 6844 1 373 . 1 1 30 30 ASN C C 13 176.192 . . 1 . . . . . . . . 6844 1 374 . 1 1 31 31 GLN N N 15 115.020 . . 1 . . . . . . . . 6844 1 375 . 1 1 31 31 GLN H H 1 6.903 . . 1 . . . . . . . . 6844 1 376 . 1 1 31 31 GLN CA C 13 56.250 . . 1 . . . . . . . . 6844 1 377 . 1 1 31 31 GLN HA H 1 4.025 . . 1 . . . . . . . . 6844 1 378 . 1 1 31 31 GLN CB C 13 29.200 . . 1 . . . . . . . . 6844 1 379 . 1 1 31 31 GLN HB2 H 1 1.818 . . 2 . . . . . . . . 6844 1 380 . 1 1 31 31 GLN HB3 H 1 1.590 . . 2 . . . . . . . . 6844 1 381 . 1 1 31 31 GLN CG C 13 34.130 . . 1 . . . . . . . . 6844 1 382 . 1 1 31 31 GLN HG2 H 1 2.060 . . 1 . . . . . . . . 6844 1 383 . 1 1 31 31 GLN HG3 H 1 2.060 . . 1 . . . . . . . . 6844 1 384 . 1 1 31 31 GLN NE2 N 15 113.096 . . 1 . . . . . . . . 6844 1 385 . 1 1 31 31 GLN HE21 H 1 7.735 . . 2 . . . . . . . . 6844 1 386 . 1 1 31 31 GLN HE22 H 1 6.837 . . 2 . . . . . . . . 6844 1 387 . 1 1 31 31 GLN C C 13 175.408 . . 1 . . . . . . . . 6844 1 388 . 1 1 32 32 PHE N N 15 121.200 . . 1 . . . . . . . . 6844 1 389 . 1 1 32 32 PHE H H 1 7.847 . . 1 . . . . . . . . 6844 1 390 . 1 1 32 32 PHE CA C 13 56.500 . . 1 . . . . . . . . 6844 1 391 . 1 1 32 32 PHE HA H 1 4.740 . . 1 . . . . . . . . 6844 1 392 . 1 1 32 32 PHE CB C 13 39.390 . . 1 . . . . . . . . 6844 1 393 . 1 1 32 32 PHE HB2 H 1 3.786 . . 2 . . . . . . . . 6844 1 394 . 1 1 32 32 PHE HB3 H 1 3.325 . . 2 . . . . . . . . 6844 1 395 . 1 1 32 32 PHE HD1 H 1 7.355 . . 3 . . . . . . . . 6844 1 396 . 1 1 32 32 PHE HE1 H 1 7.025 . . 3 . . . . . . . . 6844 1 397 . 1 1 32 32 PHE HZ H 1 7.141 . . 1 . . . . . . . . 6844 1 398 . 1 1 33 33 PRO CA C 13 63.940 . . 1 . . . . . . . . 6844 1 399 . 1 1 33 33 PRO HA H 1 4.462 . . 1 . . . . . . . . 6844 1 400 . 1 1 33 33 PRO CB C 13 32.670 . . 1 . . . . . . . . 6844 1 401 . 1 1 33 33 PRO HB2 H 1 2.460 . . 2 . . . . . . . . 6844 1 402 . 1 1 33 33 PRO HB3 H 1 2.029 . . 2 . . . . . . . . 6844 1 403 . 1 1 33 33 PRO CG C 13 27.820 . . 1 . . . . . . . . 6844 1 404 . 1 1 33 33 PRO HG2 H 1 2.254 . . 2 . . . . . . . . 6844 1 405 . 1 1 33 33 PRO HG3 H 1 2.134 . . 2 . . . . . . . . 6844 1 406 . 1 1 33 33 PRO CD C 13 51.190 . . 1 . . . . . . . . 6844 1 407 . 1 1 33 33 PRO HD2 H 1 4.054 . . 2 . . . . . . . . 6844 1 408 . 1 1 33 33 PRO HD3 H 1 3.986 . . 2 . . . . . . . . 6844 1 409 . 1 1 33 33 PRO C C 13 177.529 . . 1 . . . . . . . . 6844 1 410 . 1 1 34 34 GLY N N 15 109.760 . . 1 . . . . . . . . 6844 1 411 . 1 1 34 34 GLY H H 1 8.923 . . 1 . . . . . . . . 6844 1 412 . 1 1 34 34 GLY CA C 13 45.500 . . 1 . . . . . . . . 6844 1 413 . 1 1 34 34 GLY HA2 H 1 3.810 . . 2 . . . . . . . . 6844 1 414 . 1 1 34 34 GLY HA3 H 1 4.625 . . 2 . . . . . . . . 6844 1 415 . 1 1 34 34 GLY C C 13 175.181 . . 1 . . . . . . . . 6844 1 416 . 1 1 35 35 PHE N N 15 121.740 . . 1 . . . . . . . . 6844 1 417 . 1 1 35 35 PHE H H 1 7.496 . . 1 . . . . . . . . 6844 1 418 . 1 1 35 35 PHE CA C 13 60.240 . . 1 . . . . . . . . 6844 1 419 . 1 1 35 35 PHE HA H 1 5.067 . . 1 . . . . . . . . 6844 1 420 . 1 1 35 35 PHE CB C 13 39.120 . . 1 . . . . . . . . 6844 1 421 . 1 1 35 35 PHE HB2 H 1 3.320 . . 2 . . . . . . . . 6844 1 422 . 1 1 35 35 PHE HB3 H 1 2.880 . . 2 . . . . . . . . 6844 1 423 . 1 1 35 35 PHE HD1 H 1 6.640 . . 3 . . . . . . . . 6844 1 424 . 1 1 35 35 PHE HE1 H 1 7.232 . . 2 . . . . . . . . 6844 1 425 . 1 1 35 35 PHE HZ H 1 7.081 . . 1 . . . . . . . . 6844 1 426 . 1 1 35 35 PHE C C 13 174.589 . . 1 . . . . . . . . 6844 1 427 . 1 1 36 36 LYS N N 15 128.390 . . 1 . . . . . . . . 6844 1 428 . 1 1 36 36 LYS H H 1 8.017 . . 1 . . . . . . . . 6844 1 429 . 1 1 36 36 LYS CA C 13 57.190 . . 1 . . . . . . . . 6844 1 430 . 1 1 36 36 LYS HA H 1 4.150 . . 1 . . . . . . . . 6844 1 431 . 1 1 36 36 LYS CB C 13 33.980 . . 1 . . . . . . . . 6844 1 432 . 1 1 36 36 LYS HB2 H 1 1.350 . . 2 . . . . . . . . 6844 1 433 . 1 1 36 36 LYS HB3 H 1 1.103 . . 2 . . . . . . . . 6844 1 434 . 1 1 36 36 LYS CG C 13 24.430 . . 1 . . . . . . . . 6844 1 435 . 1 1 36 36 LYS HG2 H 1 1.270 . . 2 . . . . . . . . 6844 1 436 . 1 1 36 36 LYS HG3 H 1 1.031 . . 2 . . . . . . . . 6844 1 437 . 1 1 36 36 LYS CD C 13 29.120 . . 1 . . . . . . . . 6844 1 438 . 1 1 36 36 LYS HD2 H 1 1.520 . . 2 . . . . . . . . 6844 1 439 . 1 1 36 36 LYS HD3 H 1 1.271 . . 2 . . . . . . . . 6844 1 440 . 1 1 36 36 LYS CE C 13 41.640 . . 1 . . . . . . . . 6844 1 441 . 1 1 36 36 LYS HE2 H 1 2.830 . . 1 . . . . . . . . 6844 1 442 . 1 1 36 36 LYS HE3 H 1 2.830 . . 1 . . . . . . . . 6844 1 443 . 1 1 36 36 LYS C C 13 174.641 . . 1 . . . . . . . . 6844 1 444 . 1 1 37 37 GLU N N 15 111.556 . . 1 . . . . . . . . 6844 1 445 . 1 1 37 37 GLU H H 1 6.516 . . 1 . . . . . . . . 6844 1 446 . 1 1 37 37 GLU CA C 13 55.770 . . 1 . . . . . . . . 6844 1 447 . 1 1 37 37 GLU HA H 1 4.200 . . 1 . . . . . . . . 6844 1 448 . 1 1 37 37 GLU CB C 13 31.970 . . 1 . . . . . . . . 6844 1 449 . 1 1 37 37 GLU HB2 H 1 1.994 . . 2 . . . . . . . . 6844 1 450 . 1 1 37 37 GLU HB3 H 1 1.752 . . 2 . . . . . . . . 6844 1 451 . 1 1 37 37 GLU CG C 13 34.600 . . 1 . . . . . . . . 6844 1 452 . 1 1 37 37 GLU HG2 H 1 1.842 . . 2 . . . . . . . . 6844 1 453 . 1 1 37 37 GLU HG3 H 1 1.776 . . 2 . . . . . . . . 6844 1 454 . 1 1 37 37 GLU C C 13 173.386 . . 1 . . . . . . . . 6844 1 455 . 1 1 38 38 VAL N N 15 121.490 . . 1 . . . . . . . . 6844 1 456 . 1 1 38 38 VAL H H 1 8.660 . . 1 . . . . . . . . 6844 1 457 . 1 1 38 38 VAL CA C 13 60.780 . . 1 . . . . . . . . 6844 1 458 . 1 1 38 38 VAL HA H 1 4.780 . . 1 . . . . . . . . 6844 1 459 . 1 1 38 38 VAL CB C 13 33.970 . . 1 . . . . . . . . 6844 1 460 . 1 1 38 38 VAL HB H 1 2.066 . . 1 . . . . . . . . 6844 1 461 . 1 1 38 38 VAL CG2 C 13 21.910 . . 1 . . . . . . . . 6844 1 462 . 1 1 38 38 VAL HG21 H 1 1.007 . . 2 . . . . . . . . 6844 1 463 . 1 1 38 38 VAL HG22 H 1 1.007 . . 2 . . . . . . . . 6844 1 464 . 1 1 38 38 VAL HG23 H 1 1.007 . . 2 . . . . . . . . 6844 1 465 . 1 1 38 38 VAL CG1 C 13 21.500 . . 1 . . . . . . . . 6844 1 466 . 1 1 38 38 VAL HG11 H 1 1.115 . . 2 . . . . . . . . 6844 1 467 . 1 1 38 38 VAL HG12 H 1 1.115 . . 2 . . . . . . . . 6844 1 468 . 1 1 38 38 VAL HG13 H 1 1.115 . . 2 . . . . . . . . 6844 1 469 . 1 1 38 38 VAL C C 13 174.467 . . 1 . . . . . . . . 6844 1 470 . 1 1 39 39 ARG N N 15 125.840 . . 1 . . . . . . . . 6844 1 471 . 1 1 39 39 ARG H H 1 9.227 . . 1 . . . . . . . . 6844 1 472 . 1 1 39 39 ARG CA C 13 55.550 . . 1 . . . . . . . . 6844 1 473 . 1 1 39 39 ARG HA H 1 4.765 . . 1 . . . . . . . . 6844 1 474 . 1 1 39 39 ARG CB C 13 33.900 . . 1 . . . . . . . . 6844 1 475 . 1 1 39 39 ARG HB2 H 1 1.807 . . 2 . . . . . . . . 6844 1 476 . 1 1 39 39 ARG HB3 H 1 1.773 . . 2 . . . . . . . . 6844 1 477 . 1 1 39 39 ARG CG C 13 28.000 . . 1 . . . . . . . . 6844 1 478 . 1 1 39 39 ARG HG2 H 1 1.506 . . 2 . . . . . . . . 6844 1 479 . 1 1 39 39 ARG HG3 H 1 1.430 . . 2 . . . . . . . . 6844 1 480 . 1 1 39 39 ARG CD C 13 43.570 . . 1 . . . . . . . . 6844 1 481 . 1 1 39 39 ARG HD2 H 1 3.007 . . 2 . . . . . . . . 6844 1 482 . 1 1 39 39 ARG HD3 H 1 3.267 . . 2 . . . . . . . . 6844 1 483 . 1 1 39 39 ARG NE N 15 108.062 . . 1 . . . . . . . . 6844 1 484 . 1 1 39 39 ARG HE H 1 7.348 . . 1 . . . . . . . . 6844 1 485 . 1 1 39 39 ARG C C 13 174.815 . . 1 . . . . . . . . 6844 1 486 . 1 1 40 40 LEU N N 15 123.840 . . 1 . . . . . . . . 6844 1 487 . 1 1 40 40 LEU H H 1 8.657 . . 1 . . . . . . . . 6844 1 488 . 1 1 40 40 LEU CA C 13 53.840 . . 1 . . . . . . . . 6844 1 489 . 1 1 40 40 LEU HA H 1 4.650 . . 1 . . . . . . . . 6844 1 490 . 1 1 40 40 LEU CB C 13 41.700 . . 1 . . . . . . . . 6844 1 491 . 1 1 40 40 LEU HB2 H 1 1.820 . . 2 . . . . . . . . 6844 1 492 . 1 1 40 40 LEU HB3 H 1 1.626 . . 2 . . . . . . . . 6844 1 493 . 1 1 40 40 LEU CG C 13 27.570 . . 1 . . . . . . . . 6844 1 494 . 1 1 40 40 LEU HG H 1 1.710 . . 1 . . . . . . . . 6844 1 495 . 1 1 40 40 LEU CD1 C 13 25.820 . . 1 . . . . . . . . 6844 1 496 . 1 1 40 40 LEU HD11 H 1 0.954 . . 2 . . . . . . . . 6844 1 497 . 1 1 40 40 LEU HD12 H 1 0.954 . . 2 . . . . . . . . 6844 1 498 . 1 1 40 40 LEU HD13 H 1 0.954 . . 2 . . . . . . . . 6844 1 499 . 1 1 40 40 LEU CD2 C 13 22.660 . . 1 . . . . . . . . 6844 1 500 . 1 1 40 40 LEU HD21 H 1 0.794 . . 2 . . . . . . . . 6844 1 501 . 1 1 40 40 LEU HD22 H 1 0.794 . . 2 . . . . . . . . 6844 1 502 . 1 1 40 40 LEU HD23 H 1 0.794 . . 2 . . . . . . . . 6844 1 503 . 1 1 40 40 LEU C C 13 177.237 . . 1 . . . . . . . . 6844 1 504 . 1 1 41 41 VAL N N 15 125.360 . . 1 . . . . . . . . 6844 1 505 . 1 1 41 41 VAL H H 1 9.686 . . 1 . . . . . . . . 6844 1 506 . 1 1 41 41 VAL CA C 13 59.800 . . 1 . . . . . . . . 6844 1 507 . 1 1 41 41 VAL HA H 1 4.528 . . 1 . . . . . . . . 6844 1 508 . 1 1 41 41 VAL CB C 13 33.400 . . 1 . . . . . . . . 6844 1 509 . 1 1 41 41 VAL HB H 1 2.061 . . 1 . . . . . . . . 6844 1 510 . 1 1 41 41 VAL CG2 C 13 21.700 . . 1 . . . . . . . . 6844 1 511 . 1 1 41 41 VAL HG21 H 1 1.077 . . 2 . . . . . . . . 6844 1 512 . 1 1 41 41 VAL HG22 H 1 1.077 . . 2 . . . . . . . . 6844 1 513 . 1 1 41 41 VAL HG23 H 1 1.077 . . 2 . . . . . . . . 6844 1 514 . 1 1 41 41 VAL CG1 C 13 21.010 . . 1 . . . . . . . . 6844 1 515 . 1 1 41 41 VAL HG11 H 1 1.061 . . 2 . . . . . . . . 6844 1 516 . 1 1 41 41 VAL HG12 H 1 1.061 . . 2 . . . . . . . . 6844 1 517 . 1 1 41 41 VAL HG13 H 1 1.061 . . 2 . . . . . . . . 6844 1 518 . 1 1 42 42 PRO CA C 13 64.400 . . 1 . . . . . . . . 6844 1 519 . 1 1 42 42 PRO HA H 1 4.233 . . 1 . . . . . . . . 6844 1 520 . 1 1 42 42 PRO CB C 13 32.020 . . 1 . . . . . . . . 6844 1 521 . 1 1 42 42 PRO HB2 H 1 2.309 . . 2 . . . . . . . . 6844 1 522 . 1 1 42 42 PRO HB3 H 1 1.865 . . 2 . . . . . . . . 6844 1 523 . 1 1 42 42 PRO CG C 13 27.730 . . 1 . . . . . . . . 6844 1 524 . 1 1 42 42 PRO HG2 H 1 2.108 . . 2 . . . . . . . . 6844 1 525 . 1 1 42 42 PRO HG3 H 1 2.007 . . 2 . . . . . . . . 6844 1 526 . 1 1 42 42 PRO CD C 13 51.400 . . 1 . . . . . . . . 6844 1 527 . 1 1 42 42 PRO HD2 H 1 3.941 . . 2 . . . . . . . . 6844 1 528 . 1 1 42 42 PRO HD3 H 1 3.720 . . 2 . . . . . . . . 6844 1 529 . 1 1 42 42 PRO C C 13 176.962 . . 1 . . . . . . . . 6844 1 530 . 1 1 43 43 ASN N N 15 114.660 . . 1 . . . . . . . . 6844 1 531 . 1 1 43 43 ASN H H 1 8.749 . . 1 . . . . . . . . 6844 1 532 . 1 1 43 43 ASN CA C 13 54.980 . . 1 . . . . . . . . 6844 1 533 . 1 1 43 43 ASN HA H 1 4.365 . . 1 . . . . . . . . 6844 1 534 . 1 1 43 43 ASN CB C 13 37.960 . . 1 . . . . . . . . 6844 1 535 . 1 1 43 43 ASN HB2 H 1 3.071 . . 2 . . . . . . . . 6844 1 536 . 1 1 43 43 ASN HB3 H 1 3.022 . . 2 . . . . . . . . 6844 1 537 . 1 1 43 43 ASN ND2 N 15 114.580 . . 1 . . . . . . . . 6844 1 538 . 1 1 43 43 ASN HD21 H 1 7.613 . . 2 . . . . . . . . 6844 1 539 . 1 1 43 43 ASN HD22 H 1 6.995 . . 2 . . . . . . . . 6844 1 540 . 1 1 43 43 ASN C C 13 174.310 . . 1 . . . . . . . . 6844 1 541 . 1 1 44 44 ARG N N 15 118.980 . . 1 . . . . . . . . 6844 1 542 . 1 1 44 44 ARG H H 1 7.767 . . 1 . . . . . . . . 6844 1 543 . 1 1 44 44 ARG CA C 13 54.100 . . 1 . . . . . . . . 6844 1 544 . 1 1 44 44 ARG HA H 1 4.800 . . 1 . . . . . . . . 6844 1 545 . 1 1 44 44 ARG CB C 13 32.400 . . 1 . . . . . . . . 6844 1 546 . 1 1 44 44 ARG HB2 H 1 1.885 . . 2 . . . . . . . . 6844 1 547 . 1 1 44 44 ARG HB3 H 1 1.763 . . 2 . . . . . . . . 6844 1 548 . 1 1 44 44 ARG CG C 13 26.320 . . 1 . . . . . . . . 6844 1 549 . 1 1 44 44 ARG HG2 H 1 1.570 . . 1 . . . . . . . . 6844 1 550 . 1 1 44 44 ARG HG3 H 1 1.570 . . 1 . . . . . . . . 6844 1 551 . 1 1 44 44 ARG CD C 13 42.290 . . 1 . . . . . . . . 6844 1 552 . 1 1 44 44 ARG HD2 H 1 3.290 . . 2 . . . . . . . . 6844 1 553 . 1 1 44 44 ARG HD3 H 1 3.191 . . 2 . . . . . . . . 6844 1 554 . 1 1 44 44 ARG NE N 15 109.016 . . 1 . . . . . . . . 6844 1 555 . 1 1 44 44 ARG HE H 1 8.954 . . 1 . . . . . . . . 6844 1 556 . 1 1 44 44 ARG C C 13 175.425 . . 1 . . . . . . . . 6844 1 557 . 1 1 45 45 HIS N N 15 120.580 . . 1 . . . . . . . . 6844 1 558 . 1 1 45 45 HIS H H 1 9.001 . . 1 . . . . . . . . 6844 1 559 . 1 1 45 45 HIS CA C 13 56.130 . . 1 . . . . . . . . 6844 1 560 . 1 1 45 45 HIS HA H 1 4.850 . . 1 . . . . . . . . 6844 1 561 . 1 1 45 45 HIS CB C 13 30.430 . . 1 . . . . . . . . 6844 1 562 . 1 1 45 45 HIS HB2 H 1 3.190 . . 2 . . . . . . . . 6844 1 563 . 1 1 45 45 HIS HB3 H 1 3.340 . . 2 . . . . . . . . 6844 1 564 . 1 1 45 45 HIS C C 13 173.892 . . 1 . . . . . . . . 6844 1 565 . 1 1 46 46 ASP N N 15 113.890 . . 1 . . . . . . . . 6844 1 566 . 1 1 46 46 ASP H H 1 9.145 . . 1 . . . . . . . . 6844 1 567 . 1 1 46 46 ASP CA C 13 54.700 . . 1 . . . . . . . . 6844 1 568 . 1 1 46 46 ASP HA H 1 4.684 . . 1 . . . . . . . . 6844 1 569 . 1 1 46 46 ASP CB C 13 40.690 . . 1 . . . . . . . . 6844 1 570 . 1 1 46 46 ASP HB2 H 1 2.920 . . 2 . . . . . . . . 6844 1 571 . 1 1 46 46 ASP HB3 H 1 2.420 . . 2 . . . . . . . . 6844 1 572 . 1 1 46 46 ASP C C 13 174.397 . . 1 . . . . . . . . 6844 1 573 . 1 1 47 47 ILE N N 15 110.000 . . 1 . . . . . . . . 6844 1 574 . 1 1 47 47 ILE H H 1 6.808 . . 1 . . . . . . . . 6844 1 575 . 1 1 47 47 ILE CA C 13 58.000 . . 1 . . . . . . . . 6844 1 576 . 1 1 47 47 ILE HA H 1 5.304 . . 1 . . . . . . . . 6844 1 577 . 1 1 47 47 ILE CB C 13 41.770 . . 1 . . . . . . . . 6844 1 578 . 1 1 47 47 ILE HB H 1 1.736 . . 1 . . . . . . . . 6844 1 579 . 1 1 47 47 ILE CG1 C 13 25.000 . . 2 . . . . . . . . 6844 1 580 . 1 1 47 47 ILE HG13 H 1 1.230 . . 1 . . . . . . . . 6844 1 581 . 1 1 47 47 ILE HG12 H 1 0.862 . . 1 . . . . . . . . 6844 1 582 . 1 1 47 47 ILE CD1 C 13 13.990 . . 1 . . . . . . . . 6844 1 583 . 1 1 47 47 ILE HD11 H 1 0.916 . . 1 . . . . . . . . 6844 1 584 . 1 1 47 47 ILE HD12 H 1 0.916 . . 1 . . . . . . . . 6844 1 585 . 1 1 47 47 ILE HD13 H 1 0.916 . . 1 . . . . . . . . 6844 1 586 . 1 1 47 47 ILE CG2 C 13 18.900 . . 1 . . . . . . . . 6844 1 587 . 1 1 47 47 ILE HG21 H 1 0.830 . . 1 . . . . . . . . 6844 1 588 . 1 1 47 47 ILE HG22 H 1 0.830 . . 1 . . . . . . . . 6844 1 589 . 1 1 47 47 ILE HG23 H 1 0.830 . . 1 . . . . . . . . 6844 1 590 . 1 1 48 48 ALA N N 15 118.918 . . 1 . . . . . . . . 6844 1 591 . 1 1 48 48 ALA H H 1 8.054 . . 1 . . . . . . . . 6844 1 592 . 1 1 48 48 ALA CA C 13 52.180 . . 1 . . . . . . . . 6844 1 593 . 1 1 48 48 ALA HA H 1 4.432 . . 1 . . . . . . . . 6844 1 594 . 1 1 48 48 ALA CB C 13 23.170 . . 1 . . . . . . . . 6844 1 595 . 1 1 48 48 ALA HB1 H 1 1.175 . . 1 . . . . . . . . 6844 1 596 . 1 1 48 48 ALA HB2 H 1 1.175 . . 1 . . . . . . . . 6844 1 597 . 1 1 48 48 ALA HB3 H 1 1.175 . . 1 . . . . . . . . 6844 1 598 . 1 1 48 48 ALA C C 13 173.648 . . 1 . . . . . . . . 6844 1 599 . 1 1 49 49 PHE N N 15 116.020 . . 1 . . . . . . . . 6844 1 600 . 1 1 49 49 PHE H H 1 8.829 . . 1 . . . . . . . . 6844 1 601 . 1 1 49 49 PHE CA C 13 56.670 . . 1 . . . . . . . . 6844 1 602 . 1 1 49 49 PHE HA H 1 5.854 . . 1 . . . . . . . . 6844 1 603 . 1 1 49 49 PHE CB C 13 42.600 . . 1 . . . . . . . . 6844 1 604 . 1 1 49 49 PHE HB2 H 1 2.965 . . 2 . . . . . . . . 6844 1 605 . 1 1 49 49 PHE HB3 H 1 2.864 . . 2 . . . . . . . . 6844 1 606 . 1 1 49 49 PHE HD1 H 1 7.150 . . 3 . . . . . . . . 6844 1 607 . 1 1 49 49 PHE HE1 H 1 7.032 . . 3 . . . . . . . . 6844 1 608 . 1 1 49 49 PHE C C 13 175.773 . . 1 . . . . . . . . 6844 1 609 . 1 1 50 50 VAL N N 15 119.640 . . 1 . . . . . . . . 6844 1 610 . 1 1 50 50 VAL H H 1 8.886 . . 1 . . . . . . . . 6844 1 611 . 1 1 50 50 VAL CA C 13 61.280 . . 1 . . . . . . . . 6844 1 612 . 1 1 50 50 VAL HA H 1 4.727 . . 1 . . . . . . . . 6844 1 613 . 1 1 50 50 VAL CB C 13 35.100 . . 1 . . . . . . . . 6844 1 614 . 1 1 50 50 VAL HB H 1 1.586 . . 1 . . . . . . . . 6844 1 615 . 1 1 50 50 VAL CG2 C 13 22.580 . . 1 . . . . . . . . 6844 1 616 . 1 1 50 50 VAL HG21 H 1 0.583 . . 2 . . . . . . . . 6844 1 617 . 1 1 50 50 VAL HG22 H 1 0.583 . . 2 . . . . . . . . 6844 1 618 . 1 1 50 50 VAL HG23 H 1 0.583 . . 2 . . . . . . . . 6844 1 619 . 1 1 50 50 VAL CG1 C 13 21.300 . . 1 . . . . . . . . 6844 1 620 . 1 1 50 50 VAL HG11 H 1 0.286 . . 2 . . . . . . . . 6844 1 621 . 1 1 50 50 VAL HG12 H 1 0.286 . . 2 . . . . . . . . 6844 1 622 . 1 1 50 50 VAL HG13 H 1 0.286 . . 2 . . . . . . . . 6844 1 623 . 1 1 50 50 VAL C C 13 173.352 . . 1 . . . . . . . . 6844 1 624 . 1 1 51 51 GLU N N 15 128.350 . . 1 . . . . . . . . 6844 1 625 . 1 1 51 51 GLU H H 1 8.934 . . 1 . . . . . . . . 6844 1 626 . 1 1 51 51 GLU CA C 13 55.500 . . 1 . . . . . . . . 6844 1 627 . 1 1 51 51 GLU HA H 1 5.101 . . 1 . . . . . . . . 6844 1 628 . 1 1 51 51 GLU CB C 13 32.700 . . 1 . . . . . . . . 6844 1 629 . 1 1 51 51 GLU HB2 H 1 1.780 . . 1 . . . . . . . . 6844 1 630 . 1 1 51 51 GLU HB3 H 1 1.780 . . 1 . . . . . . . . 6844 1 631 . 1 1 51 51 GLU CG C 13 31.870 . . 1 . . . . . . . . 6844 1 632 . 1 1 51 51 GLU HG2 H 1 2.222 . . 2 . . . . . . . . 6844 1 633 . 1 1 51 51 GLU HG3 H 1 2.060 . . 2 . . . . . . . . 6844 1 634 . 1 1 51 51 GLU C C 13 174.118 . . 1 . . . . . . . . 6844 1 635 . 1 1 52 52 PHE N N 15 126.030 . . 1 . . . . . . . . 6844 1 636 . 1 1 52 52 PHE H H 1 8.652 . . 1 . . . . . . . . 6844 1 637 . 1 1 52 52 PHE CA C 13 57.030 . . 1 . . . . . . . . 6844 1 638 . 1 1 52 52 PHE HA H 1 5.067 . . 1 . . . . . . . . 6844 1 639 . 1 1 52 52 PHE CB C 13 44.100 . . 1 . . . . . . . . 6844 1 640 . 1 1 52 52 PHE HB2 H 1 3.326 . . 1 . . . . . . . . 6844 1 641 . 1 1 52 52 PHE HB3 H 1 3.326 . . 1 . . . . . . . . 6844 1 642 . 1 1 52 52 PHE HD1 H 1 7.333 . . 3 . . . . . . . . 6844 1 643 . 1 1 52 52 PHE C C 13 176.104 . . 1 . . . . . . . . 6844 1 644 . 1 1 53 53 THR N N 15 115.510 . . 1 . . . . . . . . 6844 1 645 . 1 1 53 53 THR H H 1 8.870 . . 1 . . . . . . . . 6844 1 646 . 1 1 53 53 THR CA C 13 67.000 . . 1 . . . . . . . . 6844 1 647 . 1 1 53 53 THR HA H 1 4.123 . . 1 . . . . . . . . 6844 1 648 . 1 1 53 53 THR CB C 13 68.800 . . 1 . . . . . . . . 6844 1 649 . 1 1 53 53 THR HB H 1 4.860 . . 1 . . . . . . . . 6844 1 650 . 1 1 53 53 THR CG2 C 13 22.500 . . 1 . . . . . . . . 6844 1 651 . 1 1 53 53 THR HG21 H 1 1.350 . . 1 . . . . . . . . 6844 1 652 . 1 1 53 53 THR HG22 H 1 1.350 . . 1 . . . . . . . . 6844 1 653 . 1 1 53 53 THR HG23 H 1 1.350 . . 1 . . . . . . . . 6844 1 654 . 1 1 53 53 THR HG1 H 1 5.020 . . 1 . . . . . . . . 6844 1 655 . 1 1 53 53 THR C C 13 175.268 . . 1 . . . . . . . . 6844 1 656 . 1 1 54 54 THR N N 15 108.280 . . 1 . . . . . . . . 6844 1 657 . 1 1 54 54 THR H H 1 7.956 . . 1 . . . . . . . . 6844 1 658 . 1 1 54 54 THR CA C 13 59.250 . . 1 . . . . . . . . 6844 1 659 . 1 1 54 54 THR HA H 1 5.010 . . 1 . . . . . . . . 6844 1 660 . 1 1 54 54 THR CB C 13 73.500 . . 1 . . . . . . . . 6844 1 661 . 1 1 54 54 THR HB H 1 4.686 . . 1 . . . . . . . . 6844 1 662 . 1 1 54 54 THR CG2 C 13 21.220 . . 1 . . . . . . . . 6844 1 663 . 1 1 54 54 THR HG21 H 1 1.233 . . 1 . . . . . . . . 6844 1 664 . 1 1 54 54 THR HG22 H 1 1.233 . . 1 . . . . . . . . 6844 1 665 . 1 1 54 54 THR HG23 H 1 1.233 . . 1 . . . . . . . . 6844 1 666 . 1 1 54 54 THR HG1 H 1 5.704 . . 1 . . . . . . . . 6844 1 667 . 1 1 54 54 THR C C 13 174.780 . . 1 . . . . . . . . 6844 1 668 . 1 1 55 55 GLU N N 15 121.630 . . 1 . . . . . . . . 6844 1 669 . 1 1 55 55 GLU H H 1 9.643 . . 1 . . . . . . . . 6844 1 670 . 1 1 55 55 GLU CA C 13 58.220 . . 1 . . . . . . . . 6844 1 671 . 1 1 55 55 GLU HA H 1 4.227 . . 1 . . . . . . . . 6844 1 672 . 1 1 55 55 GLU CB C 13 28.600 . . 1 . . . . . . . . 6844 1 673 . 1 1 55 55 GLU HB2 H 1 1.750 . . 1 . . . . . . . . 6844 1 674 . 1 1 55 55 GLU HB3 H 1 1.750 . . 1 . . . . . . . . 6844 1 675 . 1 1 55 55 GLU CG C 13 36.200 . . 1 . . . . . . . . 6844 1 676 . 1 1 55 55 GLU HG2 H 1 2.114 . . 2 . . . . . . . . 6844 1 677 . 1 1 55 55 GLU HG3 H 1 2.052 . . 2 . . . . . . . . 6844 1 678 . 1 1 55 55 GLU C C 13 177.847 . . 1 . . . . . . . . 6844 1 679 . 1 1 56 56 LEU N N 15 121.900 . . 1 . . . . . . . . 6844 1 680 . 1 1 56 56 LEU H H 1 7.755 . . 1 . . . . . . . . 6844 1 681 . 1 1 56 56 LEU CA C 13 57.860 . . 1 . . . . . . . . 6844 1 682 . 1 1 56 56 LEU HA H 1 4.200 . . 1 . . . . . . . . 6844 1 683 . 1 1 56 56 LEU CB C 13 41.700 . . 1 . . . . . . . . 6844 1 684 . 1 1 56 56 LEU HB2 H 1 1.726 . . 2 . . . . . . . . 6844 1 685 . 1 1 56 56 LEU HB3 H 1 1.596 . . 2 . . . . . . . . 6844 1 686 . 1 1 56 56 LEU CG C 13 27.500 . . 1 . . . . . . . . 6844 1 687 . 1 1 56 56 LEU HG H 1 1.748 . . 1 . . . . . . . . 6844 1 688 . 1 1 56 56 LEU CD1 C 13 25.060 . . 1 . . . . . . . . 6844 1 689 . 1 1 56 56 LEU HD11 H 1 0.970 . . 2 . . . . . . . . 6844 1 690 . 1 1 56 56 LEU HD12 H 1 0.970 . . 2 . . . . . . . . 6844 1 691 . 1 1 56 56 LEU HD13 H 1 0.970 . . 2 . . . . . . . . 6844 1 692 . 1 1 56 56 LEU CD2 C 13 23.730 . . 1 . . . . . . . . 6844 1 693 . 1 1 56 56 LEU HD21 H 1 0.905 . . 2 . . . . . . . . 6844 1 694 . 1 1 56 56 LEU HD22 H 1 0.905 . . 2 . . . . . . . . 6844 1 695 . 1 1 56 56 LEU HD23 H 1 0.905 . . 2 . . . . . . . . 6844 1 696 . 1 1 56 56 LEU C C 13 180.722 . . 1 . . . . . . . . 6844 1 697 . 1 1 57 57 GLN N N 15 120.090 . . 1 . . . . . . . . 6844 1 698 . 1 1 57 57 GLN H H 1 7.553 . . 1 . . . . . . . . 6844 1 699 . 1 1 57 57 GLN CA C 13 58.080 . . 1 . . . . . . . . 6844 1 700 . 1 1 57 57 GLN HA H 1 4.090 . . 1 . . . . . . . . 6844 1 701 . 1 1 57 57 GLN CB C 13 28.200 . . 1 . . . . . . . . 6844 1 702 . 1 1 57 57 GLN HB2 H 1 2.440 . . 2 . . . . . . . . 6844 1 703 . 1 1 57 57 GLN HB3 H 1 2.603 . . 2 . . . . . . . . 6844 1 704 . 1 1 57 57 GLN CG C 13 34.410 . . 1 . . . . . . . . 6844 1 705 . 1 1 57 57 GLN HG2 H 1 2.380 . . 1 . . . . . . . . 6844 1 706 . 1 1 57 57 GLN HG3 H 1 2.380 . . 1 . . . . . . . . 6844 1 707 . 1 1 57 57 GLN NE2 N 15 109.364 . . 1 . . . . . . . . 6844 1 708 . 1 1 57 57 GLN HE21 H 1 7.352 . . 2 . . . . . . . . 6844 1 709 . 1 1 57 57 GLN HE22 H 1 6.955 . . 2 . . . . . . . . 6844 1 710 . 1 1 57 57 GLN C C 13 179.641 . . 1 . . . . . . . . 6844 1 711 . 1 1 58 58 SER N N 15 117.560 . . 1 . . . . . . . . 6844 1 712 . 1 1 58 58 SER H H 1 8.266 . . 1 . . . . . . . . 6844 1 713 . 1 1 58 58 SER CA C 13 60.400 . . 1 . . . . . . . . 6844 1 714 . 1 1 58 58 SER HA H 1 3.140 . . 1 . . . . . . . . 6844 1 715 . 1 1 58 58 SER CB C 13 61.580 . . 1 . . . . . . . . 6844 1 716 . 1 1 58 58 SER HB2 H 1 4.158 . . 2 . . . . . . . . 6844 1 717 . 1 1 58 58 SER HB3 H 1 3.925 . . 2 . . . . . . . . 6844 1 718 . 1 1 58 58 SER HG H 1 5.067 . . 1 . . . . . . . . 6844 1 719 . 1 1 58 58 SER C C 13 177.307 . . 1 . . . . . . . . 6844 1 720 . 1 1 59 59 ASN N N 15 121.830 . . 1 . . . . . . . . 6844 1 721 . 1 1 59 59 ASN H H 1 8.099 . . 1 . . . . . . . . 6844 1 722 . 1 1 59 59 ASN CA C 13 57.800 . . 1 . . . . . . . . 6844 1 723 . 1 1 59 59 ASN HA H 1 4.400 . . 1 . . . . . . . . 6844 1 724 . 1 1 59 59 ASN CB C 13 40.020 . . 1 . . . . . . . . 6844 1 725 . 1 1 59 59 ASN HB2 H 1 2.950 . . 1 . . . . . . . . 6844 1 726 . 1 1 59 59 ASN HB3 H 1 2.950 . . 1 . . . . . . . . 6844 1 727 . 1 1 59 59 ASN ND2 N 15 115.822 . . 1 . . . . . . . . 6844 1 728 . 1 1 59 59 ASN HD21 H 1 7.778 . . 2 . . . . . . . . 6844 1 729 . 1 1 59 59 ASN HD22 H 1 7.084 . . 2 . . . . . . . . 6844 1 730 . 1 1 59 59 ASN C C 13 176.192 . . 1 . . . . . . . . 6844 1 731 . 1 1 60 60 ALA N N 15 119.910 . . 1 . . . . . . . . 6844 1 732 . 1 1 60 60 ALA H H 1 7.381 . . 1 . . . . . . . . 6844 1 733 . 1 1 60 60 ALA CA C 13 55.080 . . 1 . . . . . . . . 6844 1 734 . 1 1 60 60 ALA HA H 1 4.046 . . 1 . . . . . . . . 6844 1 735 . 1 1 60 60 ALA CB C 13 18.200 . . 1 . . . . . . . . 6844 1 736 . 1 1 60 60 ALA HB1 H 1 1.515 . . 1 . . . . . . . . 6844 1 737 . 1 1 60 60 ALA HB2 H 1 1.515 . . 1 . . . . . . . . 6844 1 738 . 1 1 60 60 ALA HB3 H 1 1.515 . . 1 . . . . . . . . 6844 1 739 . 1 1 60 60 ALA C C 13 180.490 . . 1 . . . . . . . . 6844 1 740 . 1 1 61 61 ALA N N 15 120.760 . . 1 . . . . . . . . 6844 1 741 . 1 1 61 61 ALA H H 1 6.855 . . 1 . . . . . . . . 6844 1 742 . 1 1 61 61 ALA CA C 13 54.620 . . 1 . . . . . . . . 6844 1 743 . 1 1 61 61 ALA HA H 1 2.760 . . 1 . . . . . . . . 6844 1 744 . 1 1 61 61 ALA CB C 13 19.280 . . 1 . . . . . . . . 6844 1 745 . 1 1 61 61 ALA HB1 H 1 0.845 . . 1 . . . . . . . . 6844 1 746 . 1 1 61 61 ALA HB2 H 1 0.845 . . 1 . . . . . . . . 6844 1 747 . 1 1 61 61 ALA HB3 H 1 0.845 . . 1 . . . . . . . . 6844 1 748 . 1 1 62 62 LYS N N 15 118.918 . . 1 . . . . . . . . 6844 1 749 . 1 1 62 62 LYS H H 1 8.050 . . 1 . . . . . . . . 6844 1 750 . 1 1 62 62 LYS CA C 13 59.290 . . 1 . . . . . . . . 6844 1 751 . 1 1 62 62 LYS HA H 1 3.634 . . 1 . . . . . . . . 6844 1 752 . 1 1 62 62 LYS CB C 13 32.250 . . 1 . . . . . . . . 6844 1 753 . 1 1 62 62 LYS HB2 H 1 1.950 . . 2 . . . . . . . . 6844 1 754 . 1 1 62 62 LYS HB3 H 1 1.435 . . 2 . . . . . . . . 6844 1 755 . 1 1 62 62 LYS CG C 13 23.400 . . 1 . . . . . . . . 6844 1 756 . 1 1 62 62 LYS HG2 H 1 1.120 . . 1 . . . . . . . . 6844 1 757 . 1 1 62 62 LYS HG3 H 1 1.120 . . 1 . . . . . . . . 6844 1 758 . 1 1 62 62 LYS CD C 13 29.820 . . 1 . . . . . . . . 6844 1 759 . 1 1 62 62 LYS HD2 H 1 0.860 . . 2 . . . . . . . . 6844 1 760 . 1 1 62 62 LYS HD3 H 1 0.720 . . 2 . . . . . . . . 6844 1 761 . 1 1 62 62 LYS CE C 13 41.200 . . 1 . . . . . . . . 6844 1 762 . 1 1 62 62 LYS HE2 H 1 2.493 . . 2 . . . . . . . . 6844 1 763 . 1 1 62 62 LYS HE3 H 1 2.356 . . 2 . . . . . . . . 6844 1 764 . 1 1 62 62 LYS C C 13 177.028 . . 1 . . . . . . . . 6844 1 765 . 1 1 63 63 GLU N N 15 114.900 . . 1 . . . . . . . . 6844 1 766 . 1 1 63 63 GLU H H 1 8.122 . . 1 . . . . . . . . 6844 1 767 . 1 1 63 63 GLU CA C 13 58.560 . . 1 . . . . . . . . 6844 1 768 . 1 1 63 63 GLU HA H 1 3.940 . . 1 . . . . . . . . 6844 1 769 . 1 1 63 63 GLU CB C 13 29.700 . . 1 . . . . . . . . 6844 1 770 . 1 1 63 63 GLU HB2 H 1 1.935 . . 2 . . . . . . . . 6844 1 771 . 1 1 63 63 GLU HB3 H 1 2.020 . . 2 . . . . . . . . 6844 1 772 . 1 1 63 63 GLU CG C 13 36.700 . . 1 . . . . . . . . 6844 1 773 . 1 1 63 63 GLU HG2 H 1 2.400 . . 2 . . . . . . . . 6844 1 774 . 1 1 63 63 GLU HG3 H 1 2.280 . . 2 . . . . . . . . 6844 1 775 . 1 1 63 63 GLU C C 13 180.286 . . 1 . . . . . . . . 6844 1 776 . 1 1 64 64 ALA N N 15 119.400 . . 1 . . . . . . . . 6844 1 777 . 1 1 64 64 ALA H H 1 7.338 . . 1 . . . . . . . . 6844 1 778 . 1 1 64 64 ALA CA C 13 54.500 . . 1 . . . . . . . . 6844 1 779 . 1 1 64 64 ALA HA H 1 4.227 . . 1 . . . . . . . . 6844 1 780 . 1 1 64 64 ALA CB C 13 20.480 . . 1 . . . . . . . . 6844 1 781 . 1 1 64 64 ALA HB1 H 1 1.495 . . 1 . . . . . . . . 6844 1 782 . 1 1 64 64 ALA HB2 H 1 1.495 . . 1 . . . . . . . . 6844 1 783 . 1 1 64 64 ALA HB3 H 1 1.495 . . 1 . . . . . . . . 6844 1 784 . 1 1 64 64 ALA C C 13 180.286 . . 1 . . . . . . . . 6844 1 785 . 1 1 65 65 LEU N N 15 115.430 . . 1 . . . . . . . . 6844 1 786 . 1 1 65 65 LEU H H 1 7.799 . . 1 . . . . . . . . 6844 1 787 . 1 1 65 65 LEU CA C 13 54.300 . . 1 . . . . . . . . 6844 1 788 . 1 1 65 65 LEU HA H 1 4.460 . . 1 . . . . . . . . 6844 1 789 . 1 1 65 65 LEU CB C 13 42.400 . . 1 . . . . . . . . 6844 1 790 . 1 1 65 65 LEU HB2 H 1 1.330 . . 1 . . . . . . . . 6844 1 791 . 1 1 65 65 LEU HB3 H 1 1.330 . . 1 . . . . . . . . 6844 1 792 . 1 1 65 65 LEU CG C 13 26.600 . . 1 . . . . . . . . 6844 1 793 . 1 1 65 65 LEU HG H 1 1.210 . . 1 . . . . . . . . 6844 1 794 . 1 1 65 65 LEU CD1 C 13 26.300 . . 1 . . . . . . . . 6844 1 795 . 1 1 65 65 LEU HD11 H 1 30.176 . . 2 . . . . . . . . 6844 1 796 . 1 1 65 65 LEU HD12 H 1 30.176 . . 2 . . . . . . . . 6844 1 797 . 1 1 65 65 LEU HD13 H 1 30.176 . . 2 . . . . . . . . 6844 1 798 . 1 1 65 65 LEU CD2 C 13 22.700 . . 1 . . . . . . . . 6844 1 799 . 1 1 65 65 LEU HD21 H 1 0.336 . . 2 . . . . . . . . 6844 1 800 . 1 1 65 65 LEU HD22 H 1 0.336 . . 2 . . . . . . . . 6844 1 801 . 1 1 65 65 LEU HD23 H 1 0.336 . . 2 . . . . . . . . 6844 1 802 . 1 1 65 65 LEU C C 13 176.052 . . 1 . . . . . . . . 6844 1 803 . 1 1 66 66 GLN N N 15 122.170 . . 1 . . . . . . . . 6844 1 804 . 1 1 66 66 GLN H H 1 7.331 . . 1 . . . . . . . . 6844 1 805 . 1 1 66 66 GLN CA C 13 57.990 . . 1 . . . . . . . . 6844 1 806 . 1 1 66 66 GLN HA H 1 3.910 . . 1 . . . . . . . . 6844 1 807 . 1 1 66 66 GLN CB C 13 29.800 . . 1 . . . . . . . . 6844 1 808 . 1 1 66 66 GLN HB2 H 1 2.530 . . 2 . . . . . . . . 6844 1 809 . 1 1 66 66 GLN HB3 H 1 2.107 . . 2 . . . . . . . . 6844 1 810 . 1 1 66 66 GLN CG C 13 34.150 . . 1 . . . . . . . . 6844 1 811 . 1 1 66 66 GLN HG2 H 1 1.970 . . 2 . . . . . . . . 6844 1 812 . 1 1 66 66 GLN HG3 H 1 2.612 . . 2 . . . . . . . . 6844 1 813 . 1 1 66 66 GLN NE2 N 15 112.384 . . 1 . . . . . . . . 6844 1 814 . 1 1 66 66 GLN HE21 H 1 8.173 . . 2 . . . . . . . . 6844 1 815 . 1 1 66 66 GLN HE22 H 1 7.869 . . 2 . . . . . . . . 6844 1 816 . 1 1 66 66 GLN C C 13 178.178 . . 1 . . . . . . . . 6844 1 817 . 1 1 67 67 GLY N N 15 119.390 . . 1 . . . . . . . . 6844 1 818 . 1 1 67 67 GLY H H 1 8.478 . . 1 . . . . . . . . 6844 1 819 . 1 1 67 67 GLY CA C 13 46.340 . . 1 . . . . . . . . 6844 1 820 . 1 1 67 67 GLY HA2 H 1 4.139 . . 2 . . . . . . . . 6844 1 821 . 1 1 67 67 GLY HA3 H 1 3.780 . . 2 . . . . . . . . 6844 1 822 . 1 1 67 67 GLY C C 13 177.028 . . 1 . . . . . . . . 6844 1 823 . 1 1 68 68 PHE N N 15 122.490 . . 1 . . . . . . . . 6844 1 824 . 1 1 68 68 PHE H H 1 8.360 . . 1 . . . . . . . . 6844 1 825 . 1 1 68 68 PHE CA C 13 60.000 . . 1 . . . . . . . . 6844 1 826 . 1 1 68 68 PHE HA H 1 4.013 . . 1 . . . . . . . . 6844 1 827 . 1 1 68 68 PHE CB C 13 40.400 . . 1 . . . . . . . . 6844 1 828 . 1 1 68 68 PHE HB2 H 1 3.370 . . 2 . . . . . . . . 6844 1 829 . 1 1 68 68 PHE HB3 H 1 2.865 . . 2 . . . . . . . . 6844 1 830 . 1 1 68 68 PHE HD1 H 1 7.050 . . 3 . . . . . . . . 6844 1 831 . 1 1 68 68 PHE HE1 H 1 7.180 . . 3 . . . . . . . . 6844 1 832 . 1 1 68 68 PHE HZ H 1 7.091 . . 1 . . . . . . . . 6844 1 833 . 1 1 68 68 PHE C C 13 176.488 . . 1 . . . . . . . . 6844 1 834 . 1 1 69 69 LYS N N 15 129.300 . . 1 . . . . . . . . 6844 1 835 . 1 1 69 69 LYS H H 1 7.864 . . 1 . . . . . . . . 6844 1 836 . 1 1 69 69 LYS CA C 13 55.050 . . 1 . . . . . . . . 6844 1 837 . 1 1 69 69 LYS HA H 1 4.615 . . 1 . . . . . . . . 6844 1 838 . 1 1 69 69 LYS CB C 13 29.200 . . 1 . . . . . . . . 6844 1 839 . 1 1 69 69 LYS HB2 H 1 1.520 . . 2 . . . . . . . . 6844 1 840 . 1 1 69 69 LYS HB3 H 1 1.350 . . 2 . . . . . . . . 6844 1 841 . 1 1 69 69 LYS CG C 13 24.600 . . 1 . . . . . . . . 6844 1 842 . 1 1 69 69 LYS HG2 H 1 1.160 . . 2 . . . . . . . . 6844 1 843 . 1 1 69 69 LYS HG3 H 1 1.500 . . 2 . . . . . . . . 6844 1 844 . 1 1 69 69 LYS CD C 13 29.000 . . 1 . . . . . . . . 6844 1 845 . 1 1 69 69 LYS HD2 H 1 1.610 . . 2 . . . . . . . . 6844 1 846 . 1 1 69 69 LYS HD3 H 1 1.530 . . 2 . . . . . . . . 6844 1 847 . 1 1 69 69 LYS CE C 13 41.800 . . 1 . . . . . . . . 6844 1 848 . 1 1 69 69 LYS HE2 H 1 2.900 . . 2 . . . . . . . . 6844 1 849 . 1 1 69 69 LYS HE3 H 1 2.959 . . 2 . . . . . . . . 6844 1 850 . 1 1 69 69 LYS C C 13 175.164 . . 1 . . . . . . . . 6844 1 851 . 1 1 70 70 ILE N N 15 130.590 . . 1 . . . . . . . . 6844 1 852 . 1 1 70 70 ILE H H 1 8.103 . . 1 . . . . . . . . 6844 1 853 . 1 1 70 70 ILE CA C 13 64.230 . . 1 . . . . . . . . 6844 1 854 . 1 1 70 70 ILE HA H 1 3.931 . . 1 . . . . . . . . 6844 1 855 . 1 1 70 70 ILE CB C 13 38.940 . . 1 . . . . . . . . 6844 1 856 . 1 1 70 70 ILE HB H 1 1.850 . . 1 . . . . . . . . 6844 1 857 . 1 1 70 70 ILE CG1 C 13 29.310 . . 2 . . . . . . . . 6844 1 858 . 1 1 70 70 ILE HG13 H 1 1.894 . . 1 . . . . . . . . 6844 1 859 . 1 1 70 70 ILE HG12 H 1 1.354 . . 1 . . . . . . . . 6844 1 860 . 1 1 70 70 ILE CD1 C 13 13.890 . . 1 . . . . . . . . 6844 1 861 . 1 1 70 70 ILE HD11 H 1 1.013 . . 1 . . . . . . . . 6844 1 862 . 1 1 70 70 ILE HD12 H 1 1.013 . . 1 . . . . . . . . 6844 1 863 . 1 1 70 70 ILE HD13 H 1 1.013 . . 1 . . . . . . . . 6844 1 864 . 1 1 70 70 ILE CG2 C 13 17.660 . . 1 . . . . . . . . 6844 1 865 . 1 1 70 70 ILE HG21 H 1 1.090 . . 1 . . . . . . . . 6844 1 866 . 1 1 70 70 ILE HG22 H 1 1.090 . . 1 . . . . . . . . 6844 1 867 . 1 1 70 70 ILE HG23 H 1 1.090 . . 1 . . . . . . . . 6844 1 868 . 1 1 70 70 ILE C C 13 176.453 . . 1 . . . . . . . . 6844 1 869 . 1 1 71 71 THR N N 15 109.040 . . 1 . . . . . . . . 6844 1 870 . 1 1 71 71 THR H H 1 7.796 . . 1 . . . . . . . . 6844 1 871 . 1 1 71 71 THR CA C 13 59.300 . . 1 . . . . . . . . 6844 1 872 . 1 1 71 71 THR HA H 1 4.640 . . 1 . . . . . . . . 6844 1 873 . 1 1 71 71 THR CB C 13 69.040 . . 1 . . . . . . . . 6844 1 874 . 1 1 71 71 THR HB H 1 4.643 . . 1 . . . . . . . . 6844 1 875 . 1 1 71 71 THR CG2 C 13 21.720 . . 1 . . . . . . . . 6844 1 876 . 1 1 71 71 THR HG21 H 1 1.227 . . 1 . . . . . . . . 6844 1 877 . 1 1 71 71 THR HG22 H 1 1.227 . . 1 . . . . . . . . 6844 1 878 . 1 1 71 71 THR HG23 H 1 1.227 . . 1 . . . . . . . . 6844 1 879 . 1 1 72 72 PRO CA C 13 65.500 . . 1 . . . . . . . . 6844 1 880 . 1 1 72 72 PRO HA H 1 4.202 . . 1 . . . . . . . . 6844 1 881 . 1 1 72 72 PRO CB C 13 32.600 . . 1 . . . . . . . . 6844 1 882 . 1 1 72 72 PRO HB2 H 1 2.450 . . 2 . . . . . . . . 6844 1 883 . 1 1 72 72 PRO HB3 H 1 1.885 . . 2 . . . . . . . . 6844 1 884 . 1 1 72 72 PRO CG C 13 28.100 . . 1 . . . . . . . . 6844 1 885 . 1 1 72 72 PRO HG2 H 1 1.900 . . 1 . . . . . . . . 6844 1 886 . 1 1 72 72 PRO HG3 H 1 1.900 . . 1 . . . . . . . . 6844 1 887 . 1 1 72 72 PRO CD C 13 50.440 . . 1 . . . . . . . . 6844 1 888 . 1 1 72 72 PRO HD2 H 1 3.860 . . 2 . . . . . . . . 6844 1 889 . 1 1 72 72 PRO HD3 H 1 3.812 . . 2 . . . . . . . . 6844 1 890 . 1 1 72 72 PRO C C 13 117.718 . . 1 . . . . . . . . 6844 1 891 . 1 1 73 73 THR N N 15 126.650 . . 1 . . . . . . . . 6844 1 892 . 1 1 73 73 THR H H 1 7.516 . . 1 . . . . . . . . 6844 1 893 . 1 1 73 73 THR CA C 13 61.100 . . 1 . . . . . . . . 6844 1 894 . 1 1 73 73 THR HA H 1 4.294 . . 1 . . . . . . . . 6844 1 895 . 1 1 73 73 THR CB C 13 69.900 . . 1 . . . . . . . . 6844 1 896 . 1 1 73 73 THR HB H 1 4.315 . . 1 . . . . . . . . 6844 1 897 . 1 1 73 73 THR CG2 C 13 21.800 . . 1 . . . . . . . . 6844 1 898 . 1 1 73 73 THR HG21 H 1 1.127 . . 1 . . . . . . . . 6844 1 899 . 1 1 73 73 THR HG22 H 1 1.127 . . 1 . . . . . . . . 6844 1 900 . 1 1 73 73 THR HG23 H 1 1.127 . . 1 . . . . . . . . 6844 1 901 . 1 1 73 73 THR C C 13 174.763 . . 1 . . . . . . . . 6844 1 902 . 1 1 74 74 HIS N N 15 125.110 . . 1 . . . . . . . . 6844 1 903 . 1 1 74 74 HIS H H 1 7.740 . . 1 . . . . . . . . 6844 1 904 . 1 1 74 74 HIS CA C 13 57.780 . . 1 . . . . . . . . 6844 1 905 . 1 1 74 74 HIS HA H 1 4.502 . . 1 . . . . . . . . 6844 1 906 . 1 1 74 74 HIS CB C 13 30.930 . . 1 . . . . . . . . 6844 1 907 . 1 1 74 74 HIS HB2 H 1 3.145 . . 2 . . . . . . . . 6844 1 908 . 1 1 74 74 HIS HB3 H 1 2.920 . . 2 . . . . . . . . 6844 1 909 . 1 1 74 74 HIS HD2 H 1 7.510 . . 3 . . . . . . . . 6844 1 910 . 1 1 74 74 HIS C C 13 172.234 . . 1 . . . . . . . . 6844 1 911 . 1 1 75 75 ALA N N 15 127.480 . . 1 . . . . . . . . 6844 1 912 . 1 1 75 75 ALA H H 1 8.218 . . 1 . . . . . . . . 6844 1 913 . 1 1 75 75 ALA CA C 13 50.300 . . 1 . . . . . . . . 6844 1 914 . 1 1 75 75 ALA HA H 1 4.660 . . 1 . . . . . . . . 6844 1 915 . 1 1 75 75 ALA CB C 13 19.200 . . 1 . . . . . . . . 6844 1 916 . 1 1 75 75 ALA HB1 H 1 1.180 . . 1 . . . . . . . . 6844 1 917 . 1 1 75 75 ALA HB2 H 1 1.180 . . 1 . . . . . . . . 6844 1 918 . 1 1 75 75 ALA HB3 H 1 1.180 . . 1 . . . . . . . . 6844 1 919 . 1 1 75 75 ALA C C 13 177.411 . . 1 . . . . . . . . 6844 1 920 . 1 1 76 76 MET N N 15 127.860 . . 1 . . . . . . . . 6844 1 921 . 1 1 76 76 MET H H 1 9.046 . . 1 . . . . . . . . 6844 1 922 . 1 1 76 76 MET CA C 13 57.700 . . 1 . . . . . . . . 6844 1 923 . 1 1 76 76 MET HA H 1 4.260 . . 1 . . . . . . . . 6844 1 924 . 1 1 76 76 MET CB C 13 35.240 . . 1 . . . . . . . . 6844 1 925 . 1 1 76 76 MET HB2 H 1 2.318 . . 2 . . . . . . . . 6844 1 926 . 1 1 76 76 MET HB3 H 1 2.196 . . 2 . . . . . . . . 6844 1 927 . 1 1 76 76 MET CG C 13 30.800 . . 1 . . . . . . . . 6844 1 928 . 1 1 76 76 MET HG2 H 1 2.595 . . 2 . . . . . . . . 6844 1 929 . 1 1 76 76 MET HG3 H 1 2.540 . . 2 . . . . . . . . 6844 1 930 . 1 1 76 76 MET HE1 H 1 2.100 . . 1 . . . . . . . . 6844 1 931 . 1 1 76 76 MET HE2 H 1 2.100 . . 1 . . . . . . . . 6844 1 932 . 1 1 76 76 MET HE3 H 1 2.100 . . 1 . . . . . . . . 6844 1 933 . 1 1 76 76 MET C C 13 174.258 . . 1 . . . . . . . . 6844 1 934 . 1 1 77 77 LYS N N 15 126.900 . . 1 . . . . . . . . 6844 1 935 . 1 1 77 77 LYS H H 1 8.111 . . 1 . . . . . . . . 6844 1 936 . 1 1 77 77 LYS CA C 13 54.920 . . 1 . . . . . . . . 6844 1 937 . 1 1 77 77 LYS HA H 1 4.894 . . 1 . . . . . . . . 6844 1 938 . 1 1 77 77 LYS CB C 13 32.860 . . 1 . . . . . . . . 6844 1 939 . 1 1 77 77 LYS HB2 H 1 1.888 . . 2 . . . . . . . . 6844 1 940 . 1 1 77 77 LYS HB3 H 1 1.679 . . 2 . . . . . . . . 6844 1 941 . 1 1 77 77 LYS CG C 13 25.120 . . 1 . . . . . . . . 6844 1 942 . 1 1 77 77 LYS HG2 H 1 1.326 . . 1 . . . . . . . . 6844 1 943 . 1 1 77 77 LYS HG3 H 1 1.326 . . 1 . . . . . . . . 6844 1 944 . 1 1 77 77 LYS CD C 13 29.200 . . 1 . . . . . . . . 6844 1 945 . 1 1 77 77 LYS HD2 H 1 1.608 . . 1 . . . . . . . . 6844 1 946 . 1 1 77 77 LYS HD3 H 1 1.608 . . 1 . . . . . . . . 6844 1 947 . 1 1 77 77 LYS CE C 13 42.340 . . 1 . . . . . . . . 6844 1 948 . 1 1 77 77 LYS HE2 H 1 1.650 . . 2 . . . . . . . . 6844 1 949 . 1 1 77 77 LYS HE3 H 1 1.879 . . 2 . . . . . . . . 6844 1 950 . 1 1 77 77 LYS C C 13 175.529 . . 1 . . . . . . . . 6844 1 951 . 1 1 78 78 ILE N N 15 125.670 . . 1 . . . . . . . . 6844 1 952 . 1 1 78 78 ILE H H 1 9.399 . . 1 . . . . . . . . 6844 1 953 . 1 1 78 78 ILE CA C 13 60.990 . . 1 . . . . . . . . 6844 1 954 . 1 1 78 78 ILE HA H 1 4.912 . . 1 . . . . . . . . 6844 1 955 . 1 1 78 78 ILE CB C 13 40.680 . . 1 . . . . . . . . 6844 1 956 . 1 1 78 78 ILE HB H 1 1.618 . . 1 . . . . . . . . 6844 1 957 . 1 1 78 78 ILE CG1 C 13 27.120 . . 2 . . . . . . . . 6844 1 958 . 1 1 78 78 ILE HG13 H 1 1.648 . . 1 . . . . . . . . 6844 1 959 . 1 1 78 78 ILE HG12 H 1 1.011 . . 1 . . . . . . . . 6844 1 960 . 1 1 78 78 ILE CD1 C 13 14.740 . . 1 . . . . . . . . 6844 1 961 . 1 1 78 78 ILE HD11 H 1 0.900 . . 1 . . . . . . . . 6844 1 962 . 1 1 78 78 ILE HD12 H 1 0.900 . . 1 . . . . . . . . 6844 1 963 . 1 1 78 78 ILE HD13 H 1 0.900 . . 1 . . . . . . . . 6844 1 964 . 1 1 78 78 ILE CG2 C 13 19.890 . . 1 . . . . . . . . 6844 1 965 . 1 1 78 78 ILE HG21 H 1 0.760 . . 1 . . . . . . . . 6844 1 966 . 1 1 78 78 ILE HG22 H 1 0.760 . . 1 . . . . . . . . 6844 1 967 . 1 1 78 78 ILE HG23 H 1 0.760 . . 1 . . . . . . . . 6844 1 968 . 1 1 78 78 ILE C C 13 176.279 . . 1 . . . . . . . . 6844 1 969 . 1 1 79 79 THR N N 15 121.290 . . 1 . . . . . . . . 6844 1 970 . 1 1 79 79 THR H H 1 9.128 . . 1 . . . . . . . . 6844 1 971 . 1 1 79 79 THR CA C 13 59.620 . . 1 . . . . . . . . 6844 1 972 . 1 1 79 79 THR HA H 1 4.501 . . 1 . . . . . . . . 6844 1 973 . 1 1 79 79 THR CB C 13 72.510 . . 1 . . . . . . . . 6844 1 974 . 1 1 79 79 THR HB H 1 4.439 . . 1 . . . . . . . . 6844 1 975 . 1 1 79 79 THR CG2 C 13 22.370 . . 1 . . . . . . . . 6844 1 976 . 1 1 79 79 THR HG21 H 1 1.298 . . 1 . . . . . . . . 6844 1 977 . 1 1 79 79 THR HG22 H 1 1.298 . . 1 . . . . . . . . 6844 1 978 . 1 1 79 79 THR HG23 H 1 1.298 . . 1 . . . . . . . . 6844 1 979 . 1 1 79 79 THR C C 13 174.240 . . 1 . . . . . . . . 6844 1 980 . 1 1 80 80 PHE N N 15 121.090 . . 1 . . . . . . . . 6844 1 981 . 1 1 80 80 PHE H H 1 8.850 . . 1 . . . . . . . . 6844 1 982 . 1 1 80 80 PHE CA C 13 59.000 . . 1 . . . . . . . . 6844 1 983 . 1 1 80 80 PHE HA H 1 5.000 . . 1 . . . . . . . . 6844 1 984 . 1 1 80 80 PHE CB C 13 40.030 . . 1 . . . . . . . . 6844 1 985 . 1 1 80 80 PHE HB2 H 1 3.173 . . 2 . . . . . . . . 6844 1 986 . 1 1 80 80 PHE HB3 H 1 2.795 . . 2 . . . . . . . . 6844 1 987 . 1 1 80 80 PHE HD1 H 1 7.520 . . 3 . . . . . . . . 6844 1 988 . 1 1 80 80 PHE C C 13 176.401 . . 1 . . . . . . . . 6844 1 989 . 1 1 81 81 ALA N N 15 125.500 . . 1 . . . . . . . . 6844 1 990 . 1 1 81 81 ALA H H 1 8.868 . . 1 . . . . . . . . 6844 1 991 . 1 1 81 81 ALA CA C 13 52.240 . . 1 . . . . . . . . 6844 1 992 . 1 1 81 81 ALA HA H 1 4.305 . . 1 . . . . . . . . 6844 1 993 . 1 1 81 81 ALA CB C 13 18.980 . . 1 . . . . . . . . 6844 1 994 . 1 1 81 81 ALA HB1 H 1 1.423 . . 1 . . . . . . . . 6844 1 995 . 1 1 81 81 ALA HB2 H 1 1.423 . . 1 . . . . . . . . 6844 1 996 . 1 1 81 81 ALA HB3 H 1 1.423 . . 1 . . . . . . . . 6844 1 997 . 1 1 81 81 ALA C C 13 177.690 . . 1 . . . . . . . . 6844 1 998 . 1 1 82 82 LYS N N 15 123.630 . . 1 . . . . . . . . 6844 1 999 . 1 1 82 82 LYS H H 1 8.659 . . 1 . . . . . . . . 6844 1 1000 . 1 1 82 82 LYS CA C 13 56.900 . . 1 . . . . . . . . 6844 1 1001 . 1 1 82 82 LYS HA H 1 4.140 . . 1 . . . . . . . . 6844 1 1002 . 1 1 82 82 LYS CB C 13 33.300 . . 1 . . . . . . . . 6844 1 1003 . 1 1 82 82 LYS HB2 H 1 1.690 . . 1 . . . . . . . . 6844 1 1004 . 1 1 82 82 LYS HB3 H 1 1.690 . . 1 . . . . . . . . 6844 1 1005 . 1 1 82 82 LYS CG C 13 25.350 . . 1 . . . . . . . . 6844 1 1006 . 1 1 82 82 LYS HG2 H 1 1.330 . . 2 . . . . . . . . 6844 1 1007 . 1 1 82 82 LYS HG3 H 1 1.440 . . 2 . . . . . . . . 6844 1 1008 . 1 1 82 82 LYS CD C 13 29.340 . . 1 . . . . . . . . 6844 1 1009 . 1 1 82 82 LYS HD2 H 1 1.643 . . 1 . . . . . . . . 6844 1 1010 . 1 1 82 82 LYS HD3 H 1 1.643 . . 1 . . . . . . . . 6844 1 1011 . 1 1 82 82 LYS CE C 13 42.330 . . 1 . . . . . . . . 6844 1 1012 . 1 1 82 82 LYS HE2 H 1 2.960 . . 1 . . . . . . . . 6844 1 1013 . 1 1 82 82 LYS HE3 H 1 2.960 . . 1 . . . . . . . . 6844 1 1014 . 1 1 82 82 LYS C C 13 176.732 . . 1 . . . . . . . . 6844 1 1015 . 1 1 83 83 LYS N N 15 126.100 . . 1 . . . . . . . . 6844 1 1016 . 1 1 83 83 LYS H H 1 8.592 . . 1 . . . . . . . . 6844 1 1017 . 1 1 83 83 LYS CA C 13 56.890 . . 1 . . . . . . . . 6844 1 1018 . 1 1 83 83 LYS HA H 1 4.160 . . 1 . . . . . . . . 6844 1 1019 . 1 1 83 83 LYS CB C 13 33.070 . . 1 . . . . . . . . 6844 1 1020 . 1 1 83 83 LYS HB2 H 1 1.740 . . 1 . . . . . . . . 6844 1 1021 . 1 1 83 83 LYS HB3 H 1 1.740 . . 1 . . . . . . . . 6844 1 1022 . 1 1 83 83 LYS CG C 13 24.940 . . 1 . . . . . . . . 6844 1 1023 . 1 1 83 83 LYS HG2 H 1 1.440 . . 1 . . . . . . . . 6844 1 1024 . 1 1 83 83 LYS HG3 H 1 1.440 . . 1 . . . . . . . . 6844 1 1025 . 1 1 83 83 LYS CD C 13 29.600 . . 1 . . . . . . . . 6844 1 1026 . 1 1 83 83 LYS HD2 H 1 1.640 . . 1 . . . . . . . . 6844 1 1027 . 1 1 83 83 LYS HD3 H 1 1.640 . . 1 . . . . . . . . 6844 1 1028 . 1 1 83 83 LYS CE C 13 42.200 . . 1 . . . . . . . . 6844 1 1029 . 1 1 83 83 LYS HE2 H 1 2.970 . . 1 . . . . . . . . 6844 1 1030 . 1 1 83 83 LYS HE3 H 1 2.970 . . 1 . . . . . . . . 6844 1 stop_ save_