data_4305 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4305 _Entry.Title ; 1H, 13C, 15N Assignment of PIN: A Protein Inhibitor of Neuronal Nitric Oxide Synthase ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 1999-02-05 _Entry.Accession_date 1999-02-06 _Entry.Last_release_date 2000-12-15 _Entry.Original_release_date 2000-12-15 _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 Shinya Ohki . . . 4305 2 Hidehito Tochio . . . 4305 3 Qiang Zhang . . . 4305 4 Ming Li . . . 4305 5 Mingjie Zhang . . . 4305 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4305 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 248 4305 '15N chemical shifts' 96 4305 '1H chemical shifts' 624 4305 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 . . 2000-12-15 1999-02-05 original author . 4305 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4305 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99023194 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Tochio, H., Ohki, S., Zhang, Q., Li, M., and Zhang, M., "Solution Structure of a Protein Inhibitor of Neuronal Nitric Oxide Synthase," Nat. Struct. Biol. 5, 965-969 (1998). ; _Citation.Title 'Solution Structure of a Protein Inhibitor of Neuronal Nitric Oxide Synthase' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 5 _Citation.Journal_issue . _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 965 _Citation.Page_last 969 _Citation.Year 1998 _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 Shinya Ohki . . . 4305 1 2 Hidehito Tochio . . . 4305 1 3 Qiang Zhang . . . 4305 1 4 Ming Li . . . 4305 1 5 Mingjie Zhang . . . 4305 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_PIN _Assembly.Sf_category assembly _Assembly.Sf_framecode PIN _Assembly.Entry_ID 4305 _Assembly.ID 1 _Assembly.Name 'protein inhibitor of neuronal nitric oxide synthase' _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 reported' _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 4305 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 PIN 1 $PIN_monomer . . . native . . . . . 4305 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 yes PDB 1BKQ . 'Solution Nmr Structure Of Pin: A Protein Inhibitor Of Neuronal Nitric Oxide Synthase, 20 Structures' . . . . 4305 1 yes PDB 1CMI . 'A Chain A, Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE' . . . . 4305 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID PIN abbreviation 4305 1 'protein inhibitor of neuronal nitric oxide synthase' system 4305 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PIN_monomer _Entity.Sf_category entity _Entity.Sf_framecode PIN_monomer _Entity.Entry_ID 4305 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PIN _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 ; GSHMCDRKAVIKNADMSEEM QQDSVECATQALEKYNIEKD IAAHIKKEFDKKYNPTWHCI VGRNFGSYVTHETKHFIYFY LGQVAILLFKSG ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not reported' _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 'No disulfide bonds exist in the molecule' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1CMI . "Structure Of The Human PinLC8 DIMER WITH A BOUND PEPTIDE" . . . . . 92.39 85 100.00 100.00 1.96e-55 . . . . 4305 1 2 no PDB 1F3C . "Refined Solution Structure Of 8kda Dynein Light Chain (Dlc8)" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 3 no PDB 1F95 . "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Bim Peptide Complex" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 4 no PDB 1F96 . "Solution Structure Of Dynein Light Chain 8 (Dlc8) And Nnos Peptide Complex" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 5 no PDB 3ZKE . "Structure Of Lc8 In Complex With Nek9 Peptide" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 6 no PDB 3ZKF . "Structure Of Lc8 In Complex With Nek9 Phosphopeptide" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 7 no DBJ BAB22160 . "unnamed protein product [Mus musculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 8 no DBJ BAB27063 . "unnamed protein product [Mus musculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 9 no DBJ BAB27117 . "unnamed protein product [Mus musculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 10 no DBJ BAB28970 . "unnamed protein product [Mus musculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 11 no DBJ BAB28973 . "unnamed protein product [Mus musculus]" . . . . . 96.74 89 98.88 98.88 1.36e-58 . . . . 4305 1 12 no EMBL CAG28600 . "DNCL1 [Homo sapiens]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 13 no EMBL CAG46925 . "DNCL1 [Homo sapiens]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 14 no EMBL CAH65122 . "hypothetical protein RCJMB04_3n18 [Gallus gallus]" . . . . . 96.74 89 97.75 98.88 8.50e-58 . . . . 4305 1 15 no EMBL CAZ64801 . "dynein, light chain, LC8-type 1 [Sus scrofa]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 16 no EMBL CAZ64802 . "dynein, light chain, LC8-type 1 [Phacochoerus africanus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 17 no GB AAB04149 . "cytoplasmic dynein light chain 1 [Homo sapiens]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 18 no GB AAB38257 . "protein inhibitor of neuronal nitric oxide synthase [Rattus norvegicus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 19 no GB AAC32530 . "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 20 no GB AAC32531 . "protein inhibitor of neuronal nitric oxide synthase [Oryctolagus cuniculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 21 no GB AAD01643 . "protein inhibitor of nitric oxide synthase [Mus musculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 22 no REF NP_001003901 . "dynein light chain 1, cytoplasmic [Bos taurus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 23 no REF NP_001032583 . "dynein light chain 1, cytoplasmic [Homo sapiens]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 24 no REF NP_001032584 . "dynein light chain 1, cytoplasmic [Homo sapiens]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 25 no REF NP_001075487 . "dynein light chain 1, cytoplasmic [Oryctolagus cuniculus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 26 no REF NP_001182043 . "dynein light chain 1, cytoplasmic [Sus scrofa]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 27 no SP P61273 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1 [Macaca fascicularis]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 28 no SP P61285 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=Dynein light chain LC8-type 1" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 29 no SP P63167 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 30 no SP P63168 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 31 no SP P63169 . "RecName: Full=Dynein light chain 1, cytoplasmic; AltName: Full=8 kDa dynein light chain; Short=DLC8; AltName: Full=Dynein light" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 32 no TPG DAA17449 . "TPA: dynein light chain 1-like [Bos taurus]" . . . . . 96.74 89 98.88 100.00 1.26e-58 . . . . 4305 1 33 no TPG DAA20577 . "TPA: dynein light chain 1, cytoplasmic [Bos taurus]" . . . . . 96.74 89 100.00 100.00 2.54e-59 . . . . 4305 1 34 no TPG DAA23836 . "TPA: dynein, light chain, LC8-type 2-like [Bos taurus]" . . . . . 96.74 89 97.75 98.88 1.40e-57 . . . . 4305 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID PIN abbreviation 4305 1 PIN common 4305 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 -3 GLY . 4305 1 2 -2 SER . 4305 1 3 -1 HIS . 4305 1 4 1 MET . 4305 1 5 2 CYS . 4305 1 6 3 ASP . 4305 1 7 4 ARG . 4305 1 8 5 LYS . 4305 1 9 6 ALA . 4305 1 10 7 VAL . 4305 1 11 8 ILE . 4305 1 12 9 LYS . 4305 1 13 10 ASN . 4305 1 14 11 ALA . 4305 1 15 12 ASP . 4305 1 16 13 MET . 4305 1 17 14 SER . 4305 1 18 15 GLU . 4305 1 19 16 GLU . 4305 1 20 17 MET . 4305 1 21 18 GLN . 4305 1 22 19 GLN . 4305 1 23 20 ASP . 4305 1 24 21 SER . 4305 1 25 22 VAL . 4305 1 26 23 GLU . 4305 1 27 24 CYS . 4305 1 28 25 ALA . 4305 1 29 26 THR . 4305 1 30 27 GLN . 4305 1 31 28 ALA . 4305 1 32 29 LEU . 4305 1 33 30 GLU . 4305 1 34 31 LYS . 4305 1 35 32 TYR . 4305 1 36 33 ASN . 4305 1 37 34 ILE . 4305 1 38 35 GLU . 4305 1 39 36 LYS . 4305 1 40 37 ASP . 4305 1 41 38 ILE . 4305 1 42 39 ALA . 4305 1 43 40 ALA . 4305 1 44 41 HIS . 4305 1 45 42 ILE . 4305 1 46 43 LYS . 4305 1 47 44 LYS . 4305 1 48 45 GLU . 4305 1 49 46 PHE . 4305 1 50 47 ASP . 4305 1 51 48 LYS . 4305 1 52 49 LYS . 4305 1 53 50 TYR . 4305 1 54 51 ASN . 4305 1 55 52 PRO . 4305 1 56 53 THR . 4305 1 57 54 TRP . 4305 1 58 55 HIS . 4305 1 59 56 CYS . 4305 1 60 57 ILE . 4305 1 61 58 VAL . 4305 1 62 59 GLY . 4305 1 63 60 ARG . 4305 1 64 61 ASN . 4305 1 65 62 PHE . 4305 1 66 63 GLY . 4305 1 67 64 SER . 4305 1 68 65 TYR . 4305 1 69 66 VAL . 4305 1 70 67 THR . 4305 1 71 68 HIS . 4305 1 72 69 GLU . 4305 1 73 70 THR . 4305 1 74 71 LYS . 4305 1 75 72 HIS . 4305 1 76 73 PHE . 4305 1 77 74 ILE . 4305 1 78 75 TYR . 4305 1 79 76 PHE . 4305 1 80 77 TYR . 4305 1 81 78 LEU . 4305 1 82 79 GLY . 4305 1 83 80 GLN . 4305 1 84 81 VAL . 4305 1 85 82 ALA . 4305 1 86 83 ILE . 4305 1 87 84 LEU . 4305 1 88 85 LEU . 4305 1 89 86 PHE . 4305 1 90 87 LYS . 4305 1 91 88 SER . 4305 1 92 89 GLY . 4305 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4305 1 . SER 2 2 4305 1 . HIS 3 3 4305 1 . MET 4 4 4305 1 . CYS 5 5 4305 1 . ASP 6 6 4305 1 . ARG 7 7 4305 1 . LYS 8 8 4305 1 . ALA 9 9 4305 1 . VAL 10 10 4305 1 . ILE 11 11 4305 1 . LYS 12 12 4305 1 . ASN 13 13 4305 1 . ALA 14 14 4305 1 . ASP 15 15 4305 1 . MET 16 16 4305 1 . SER 17 17 4305 1 . GLU 18 18 4305 1 . GLU 19 19 4305 1 . MET 20 20 4305 1 . GLN 21 21 4305 1 . GLN 22 22 4305 1 . ASP 23 23 4305 1 . SER 24 24 4305 1 . VAL 25 25 4305 1 . GLU 26 26 4305 1 . CYS 27 27 4305 1 . ALA 28 28 4305 1 . THR 29 29 4305 1 . GLN 30 30 4305 1 . ALA 31 31 4305 1 . LEU 32 32 4305 1 . GLU 33 33 4305 1 . LYS 34 34 4305 1 . TYR 35 35 4305 1 . ASN 36 36 4305 1 . ILE 37 37 4305 1 . GLU 38 38 4305 1 . LYS 39 39 4305 1 . ASP 40 40 4305 1 . ILE 41 41 4305 1 . ALA 42 42 4305 1 . ALA 43 43 4305 1 . HIS 44 44 4305 1 . ILE 45 45 4305 1 . LYS 46 46 4305 1 . LYS 47 47 4305 1 . GLU 48 48 4305 1 . PHE 49 49 4305 1 . ASP 50 50 4305 1 . LYS 51 51 4305 1 . LYS 52 52 4305 1 . TYR 53 53 4305 1 . ASN 54 54 4305 1 . PRO 55 55 4305 1 . THR 56 56 4305 1 . TRP 57 57 4305 1 . HIS 58 58 4305 1 . CYS 59 59 4305 1 . ILE 60 60 4305 1 . VAL 61 61 4305 1 . GLY 62 62 4305 1 . ARG 63 63 4305 1 . ASN 64 64 4305 1 . PHE 65 65 4305 1 . GLY 66 66 4305 1 . SER 67 67 4305 1 . TYR 68 68 4305 1 . VAL 69 69 4305 1 . THR 70 70 4305 1 . HIS 71 71 4305 1 . GLU 72 72 4305 1 . THR 73 73 4305 1 . LYS 74 74 4305 1 . HIS 75 75 4305 1 . PHE 76 76 4305 1 . ILE 77 77 4305 1 . TYR 78 78 4305 1 . PHE 79 79 4305 1 . TYR 80 80 4305 1 . LEU 81 81 4305 1 . GLY 82 82 4305 1 . GLN 83 83 4305 1 . VAL 84 84 4305 1 . ALA 85 85 4305 1 . ILE 86 86 4305 1 . LEU 87 87 4305 1 . LEU 88 88 4305 1 . PHE 89 89 4305 1 . LYS 90 90 4305 1 . SER 91 91 4305 1 . GLY 92 92 4305 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 4305 _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 $PIN_monomer . 10116 . . 'Rattus norvegicus' 'Norway rat' . . Eukaryota Metazoa Rattus norvegicus . . . . . . . . . . . . . . . . . . . . . 4305 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 4305 _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 $PIN_monomer . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4305 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4305 _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 PIN '[U-13C; U-15N]' . . 1 $PIN_monomer . . 1.5 . . mM . . . . 4305 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4305 _Sample.ID 2 _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 PIN [U-15N] . . 1 $PIN_monomer . . 1.5 . . mM . . . . 4305 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 4305 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 na 4305 1 temperature 303 0.2 K 4305 1 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 4305 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4305 _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 Varian INOVA . 500 . . . 4305 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 4305 _Experiment_list.ID 1 _Experiment_list.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 4305 _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 . . . . . . . . . 4305 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 4305 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4305 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4305 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-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 . 4305 1 . . 2 $sample_2 . 4305 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 4 4 MET CA C 13 56.380 . . 1 . . . . . . . . 4305 1 2 . 1 1 4 4 MET CB C 13 33.230 . . 1 . . . . . . . . 4305 1 3 . 1 1 4 4 MET CE C 13 17.530 . . 1 . . . . . . . . 4305 1 4 . 1 1 4 4 MET HA H 1 4.440 . . 1 . . . . . . . . 4305 1 5 . 1 1 4 4 MET HB2 H 1 2.080 . . 2 . . . . . . . . 4305 1 6 . 1 1 4 4 MET HB3 H 1 2.010 . . 2 . . . . . . . . 4305 1 7 . 1 1 4 4 MET HE1 H 1 2.010 . . 1 . . . . . . . . 4305 1 8 . 1 1 4 4 MET HE2 H 1 2.010 . . 1 . . . . . . . . 4305 1 9 . 1 1 4 4 MET HE3 H 1 2.010 . . 1 . . . . . . . . 4305 1 10 . 1 1 4 4 MET HG2 H 1 2.580 . . 2 . . . . . . . . 4305 1 11 . 1 1 4 4 MET HG3 H 1 2.010 . . 2 . . . . . . . . 4305 1 12 . 1 1 4 4 MET H H 1 8.500 . . 1 . . . . . . . . 4305 1 13 . 1 1 4 4 MET N N 15 122.370 . . 1 . . . . . . . . 4305 1 14 . 1 1 5 5 CYS CA C 13 59.000 . . 1 . . . . . . . . 4305 1 15 . 1 1 5 5 CYS CB C 13 27.720 . . 1 . . . . . . . . 4305 1 16 . 1 1 5 5 CYS HA H 1 4.460 . . 1 . . . . . . . . 4305 1 17 . 1 1 5 5 CYS HB2 H 1 2.930 . . 1 . . . . . . . . 4305 1 18 . 1 1 5 5 CYS HB3 H 1 2.930 . . 1 . . . . . . . . 4305 1 19 . 1 1 5 5 CYS H H 1 8.430 . . 1 . . . . . . . . 4305 1 20 . 1 1 5 5 CYS N N 15 120.380 . . 1 . . . . . . . . 4305 1 21 . 1 1 6 6 ASP CA C 13 55.020 . . 1 . . . . . . . . 4305 1 22 . 1 1 6 6 ASP CB C 13 41.570 . . 1 . . . . . . . . 4305 1 23 . 1 1 6 6 ASP HA H 1 4.600 . . 1 . . . . . . . . 4305 1 24 . 1 1 6 6 ASP HB2 H 1 2.700 . . 1 . . . . . . . . 4305 1 25 . 1 1 6 6 ASP HB3 H 1 2.700 . . 1 . . . . . . . . 4305 1 26 . 1 1 6 6 ASP H H 1 8.320 . . 1 . . . . . . . . 4305 1 27 . 1 1 6 6 ASP N N 15 123.330 . . 1 . . . . . . . . 4305 1 28 . 1 1 7 7 ARG CA C 13 56.160 . . 1 . . . . . . . . 4305 1 29 . 1 1 7 7 ARG CB C 13 31.180 . . 1 . . . . . . . . 4305 1 30 . 1 1 7 7 ARG CG C 13 27.780 . . 1 . . . . . . . . 4305 1 31 . 1 1 7 7 ARG HA H 1 4.310 . . 1 . . . . . . . . 4305 1 32 . 1 1 7 7 ARG HB2 H 1 1.840 . . 1 . . . . . . . . 4305 1 33 . 1 1 7 7 ARG HB3 H 1 1.840 . . 1 . . . . . . . . 4305 1 34 . 1 1 7 7 ARG HD2 H 1 3.130 . . 1 . . . . . . . . 4305 1 35 . 1 1 7 7 ARG HD3 H 1 3.130 . . 1 . . . . . . . . 4305 1 36 . 1 1 7 7 ARG HG2 H 1 1.700 . . 2 . . . . . . . . 4305 1 37 . 1 1 7 7 ARG HG3 H 1 1.620 . . 2 . . . . . . . . 4305 1 38 . 1 1 7 7 ARG H H 1 8.150 . . 1 . . . . . . . . 4305 1 39 . 1 1 7 7 ARG N N 15 121.720 . . 1 . . . . . . . . 4305 1 40 . 1 1 8 8 LYS CA C 13 56.450 . . 1 . . . . . . . . 4305 1 41 . 1 1 8 8 LYS CB C 13 33.480 . . 1 . . . . . . . . 4305 1 42 . 1 1 8 8 LYS CD C 13 29.560 . . 1 . . . . . . . . 4305 1 43 . 1 1 8 8 LYS CG C 13 25.230 . . 1 . . . . . . . . 4305 1 44 . 1 1 8 8 LYS HA H 1 4.310 . . 1 . . . . . . . . 4305 1 45 . 1 1 8 8 LYS HB2 H 1 1.810 . . 1 . . . . . . . . 4305 1 46 . 1 1 8 8 LYS HB3 H 1 1.810 . . 1 . . . . . . . . 4305 1 47 . 1 1 8 8 LYS HD2 H 1 1.690 . . 2 . . . . . . . . 4305 1 48 . 1 1 8 8 LYS HD3 H 1 1.450 . . 2 . . . . . . . . 4305 1 49 . 1 1 8 8 LYS HE2 H 1 3.000 . . 1 . . . . . . . . 4305 1 50 . 1 1 8 8 LYS HE3 H 1 3.000 . . 1 . . . . . . . . 4305 1 51 . 1 1 8 8 LYS HG2 H 1 1.290 . . 1 . . . . . . . . 4305 1 52 . 1 1 8 8 LYS HG3 H 1 1.290 . . 1 . . . . . . . . 4305 1 53 . 1 1 8 8 LYS H H 1 8.140 . . 1 . . . . . . . . 4305 1 54 . 1 1 8 8 LYS N N 15 122.250 . . 1 . . . . . . . . 4305 1 55 . 1 1 9 9 ALA CA C 13 52.070 . . 1 . . . . . . . . 4305 1 56 . 1 1 9 9 ALA CB C 13 21.530 . . 1 . . . . . . . . 4305 1 57 . 1 1 9 9 ALA HA H 1 5.160 . . 1 . . . . . . . . 4305 1 58 . 1 1 9 9 ALA HB1 H 1 1.320 . . 1 . . . . . . . . 4305 1 59 . 1 1 9 9 ALA HB2 H 1 1.320 . . 1 . . . . . . . . 4305 1 60 . 1 1 9 9 ALA HB3 H 1 1.320 . . 1 . . . . . . . . 4305 1 61 . 1 1 9 9 ALA H H 1 8.460 . . 1 . . . . . . . . 4305 1 62 . 1 1 9 9 ALA N N 15 126.850 . . 1 . . . . . . . . 4305 1 63 . 1 1 10 10 VAL CA C 13 62.320 . . 1 . . . . . . . . 4305 1 64 . 1 1 10 10 VAL CB C 13 34.700 . . 1 . . . . . . . . 4305 1 65 . 1 1 10 10 VAL CG1 C 13 21.400 . . 1 . . . . . . . . 4305 1 66 . 1 1 10 10 VAL CG2 C 13 20.700 . . 1 . . . . . . . . 4305 1 67 . 1 1 10 10 VAL HA H 1 4.240 . . 1 . . . . . . . . 4305 1 68 . 1 1 10 10 VAL HB H 1 2.060 . . 1 . . . . . . . . 4305 1 69 . 1 1 10 10 VAL HG11 H 1 0.850 . . 1 . . . . . . . . 4305 1 70 . 1 1 10 10 VAL HG12 H 1 0.850 . . 1 . . . . . . . . 4305 1 71 . 1 1 10 10 VAL HG13 H 1 0.850 . . 1 . . . . . . . . 4305 1 72 . 1 1 10 10 VAL HG21 H 1 0.950 . . 1 . . . . . . . . 4305 1 73 . 1 1 10 10 VAL HG22 H 1 0.950 . . 1 . . . . . . . . 4305 1 74 . 1 1 10 10 VAL HG23 H 1 0.950 . . 1 . . . . . . . . 4305 1 75 . 1 1 10 10 VAL H H 1 8.910 . . 1 . . . . . . . . 4305 1 76 . 1 1 10 10 VAL N N 15 123.590 . . 1 . . . . . . . . 4305 1 77 . 1 1 11 11 ILE CA C 13 62.200 . . 1 . . . . . . . . 4305 1 78 . 1 1 11 11 ILE CB C 13 37.180 . . 1 . . . . . . . . 4305 1 79 . 1 1 11 11 ILE CD1 C 13 12.540 . . 1 . . . . . . . . 4305 1 80 . 1 1 11 11 ILE CG1 C 13 28.300 . . 1 . . . . . . . . 4305 1 81 . 1 1 11 11 ILE CG2 C 13 18.630 . . 1 . . . . . . . . 4305 1 82 . 1 1 11 11 ILE HA H 1 4.040 . . 1 . . . . . . . . 4305 1 83 . 1 1 11 11 ILE HB H 1 1.990 . . 1 . . . . . . . . 4305 1 84 . 1 1 11 11 ILE HD11 H 1 0.680 . . 1 . . . . . . . . 4305 1 85 . 1 1 11 11 ILE HD12 H 1 0.680 . . 1 . . . . . . . . 4305 1 86 . 1 1 11 11 ILE HD13 H 1 0.680 . . 1 . . . . . . . . 4305 1 87 . 1 1 11 11 ILE HG12 H 1 1.470 . . 2 . . . . . . . . 4305 1 88 . 1 1 11 11 ILE HG13 H 1 1.000 . . 2 . . . . . . . . 4305 1 89 . 1 1 11 11 ILE HG21 H 1 0.810 . . 1 . . . . . . . . 4305 1 90 . 1 1 11 11 ILE HG22 H 1 0.810 . . 1 . . . . . . . . 4305 1 91 . 1 1 11 11 ILE HG23 H 1 0.810 . . 1 . . . . . . . . 4305 1 92 . 1 1 11 11 ILE H H 1 9.120 . . 1 . . . . . . . . 4305 1 93 . 1 1 11 11 ILE N N 15 129.360 . . 1 . . . . . . . . 4305 1 94 . 1 1 12 12 LYS CA C 13 56.860 . . 1 . . . . . . . . 4305 1 95 . 1 1 12 12 LYS CB C 13 33.100 . . 1 . . . . . . . . 4305 1 96 . 1 1 12 12 LYS CD C 13 28.080 . . 1 . . . . . . . . 4305 1 97 . 1 1 12 12 LYS CG C 13 24.370 . . 1 . . . . . . . . 4305 1 98 . 1 1 12 12 LYS HA H 1 4.430 . . 1 . . . . . . . . 4305 1 99 . 1 1 12 12 LYS HB2 H 1 1.870 . . 2 . . . . . . . . 4305 1 100 . 1 1 12 12 LYS HB3 H 1 1.660 . . 2 . . . . . . . . 4305 1 101 . 1 1 12 12 LYS HD2 H 1 1.530 . . 1 . . . . . . . . 4305 1 102 . 1 1 12 12 LYS HD3 H 1 1.530 . . 1 . . . . . . . . 4305 1 103 . 1 1 12 12 LYS HE2 H 1 2.780 . . 1 . . . . . . . . 4305 1 104 . 1 1 12 12 LYS HE3 H 1 2.780 . . 1 . . . . . . . . 4305 1 105 . 1 1 12 12 LYS HG2 H 1 1.320 . . 2 . . . . . . . . 4305 1 106 . 1 1 12 12 LYS HG3 H 1 1.340 . . 2 . . . . . . . . 4305 1 107 . 1 1 12 12 LYS H H 1 8.430 . . 1 . . . . . . . . 4305 1 108 . 1 1 12 12 LYS N N 15 129.770 . . 1 . . . . . . . . 4305 1 109 . 1 1 13 13 ASN CA C 13 54.300 . . 1 . . . . . . . . 4305 1 110 . 1 1 13 13 ASN CB C 13 43.060 . . 1 . . . . . . . . 4305 1 111 . 1 1 13 13 ASN HA H 1 5.000 . . 1 . . . . . . . . 4305 1 112 . 1 1 13 13 ASN HB2 H 1 2.990 . . 2 . . . . . . . . 4305 1 113 . 1 1 13 13 ASN HB3 H 1 2.920 . . 2 . . . . . . . . 4305 1 114 . 1 1 13 13 ASN H H 1 8.180 . . 1 . . . . . . . . 4305 1 115 . 1 1 13 13 ASN N N 15 115.440 . . 1 . . . . . . . . 4305 1 116 . 1 1 13 13 ASN ND2 N 15 111.420 . . 1 . . . . . . . . 4305 1 117 . 1 1 13 13 ASN HD21 H 1 6.820 . . 2 . . . . . . . . 4305 1 118 . 1 1 13 13 ASN HD22 H 1 7.590 . . 2 . . . . . . . . 4305 1 119 . 1 1 14 14 ALA CA C 13 52.490 . . 1 . . . . . . . . 4305 1 120 . 1 1 14 14 ALA CB C 13 22.770 . . 1 . . . . . . . . 4305 1 121 . 1 1 14 14 ALA HA H 1 4.840 . . 1 . . . . . . . . 4305 1 122 . 1 1 14 14 ALA HB1 H 1 1.370 . . 1 . . . . . . . . 4305 1 123 . 1 1 14 14 ALA HB2 H 1 1.370 . . 1 . . . . . . . . 4305 1 124 . 1 1 14 14 ALA HB3 H 1 1.370 . . 1 . . . . . . . . 4305 1 125 . 1 1 14 14 ALA H H 1 8.780 . . 1 . . . . . . . . 4305 1 126 . 1 1 14 14 ALA N N 15 124.800 . . 1 . . . . . . . . 4305 1 127 . 1 1 15 15 ASP CA C 13 53.720 . . 1 . . . . . . . . 4305 1 128 . 1 1 15 15 ASP CB C 13 41.350 . . 1 . . . . . . . . 4305 1 129 . 1 1 15 15 ASP HA H 1 4.870 . . 1 . . . . . . . . 4305 1 130 . 1 1 15 15 ASP HB2 H 1 2.850 . . 2 . . . . . . . . 4305 1 131 . 1 1 15 15 ASP HB3 H 1 2.780 . . 2 . . . . . . . . 4305 1 132 . 1 1 15 15 ASP H H 1 8.900 . . 1 . . . . . . . . 4305 1 133 . 1 1 15 15 ASP N N 15 123.230 . . 1 . . . . . . . . 4305 1 134 . 1 1 16 16 MET CA C 13 56.390 . . 1 . . . . . . . . 4305 1 135 . 1 1 16 16 MET CB C 13 38.830 . . 1 . . . . . . . . 4305 1 136 . 1 1 16 16 MET CE C 13 17.870 . . 1 . . . . . . . . 4305 1 137 . 1 1 16 16 MET CG C 13 34.350 . . 1 . . . . . . . . 4305 1 138 . 1 1 16 16 MET HA H 1 4.550 . . 1 . . . . . . . . 4305 1 139 . 1 1 16 16 MET HB2 H 1 1.850 . . 2 . . . . . . . . 4305 1 140 . 1 1 16 16 MET HB3 H 1 2.190 . . 2 . . . . . . . . 4305 1 141 . 1 1 16 16 MET HE1 H 1 2.060 . . 1 . . . . . . . . 4305 1 142 . 1 1 16 16 MET HE2 H 1 2.060 . . 1 . . . . . . . . 4305 1 143 . 1 1 16 16 MET HE3 H 1 2.060 . . 1 . . . . . . . . 4305 1 144 . 1 1 16 16 MET HG2 H 1 2.910 . . 2 . . . . . . . . 4305 1 145 . 1 1 16 16 MET HG3 H 1 2.640 . . 2 . . . . . . . . 4305 1 146 . 1 1 16 16 MET H H 1 7.930 . . 1 . . . . . . . . 4305 1 147 . 1 1 16 16 MET N N 15 120.600 . . 1 . . . . . . . . 4305 1 148 . 1 1 17 17 SER CA C 13 58.570 . . 1 . . . . . . . . 4305 1 149 . 1 1 17 17 SER CB C 13 64.510 . . 1 . . . . . . . . 4305 1 150 . 1 1 17 17 SER HA H 1 4.490 . . 1 . . . . . . . . 4305 1 151 . 1 1 17 17 SER HB2 H 1 4.410 . . 2 . . . . . . . . 4305 1 152 . 1 1 17 17 SER HB3 H 1 4.120 . . 2 . . . . . . . . 4305 1 153 . 1 1 17 17 SER H H 1 9.280 . . 1 . . . . . . . . 4305 1 154 . 1 1 17 17 SER N N 15 123.110 . . 1 . . . . . . . . 4305 1 155 . 1 1 18 18 GLU CA C 13 61.150 . . 1 . . . . . . . . 4305 1 156 . 1 1 18 18 GLU CB C 13 29.700 . . 1 . . . . . . . . 4305 1 157 . 1 1 18 18 GLU CG C 13 36.860 . . 1 . . . . . . . . 4305 1 158 . 1 1 18 18 GLU HA H 1 3.810 . . 1 . . . . . . . . 4305 1 159 . 1 1 18 18 GLU HB2 H 1 2.080 . . 2 . . . . . . . . 4305 1 160 . 1 1 18 18 GLU HB3 H 1 2.050 . . 2 . . . . . . . . 4305 1 161 . 1 1 18 18 GLU HG2 H 1 2.410 . . 2 . . . . . . . . 4305 1 162 . 1 1 18 18 GLU HG3 H 1 2.360 . . 2 . . . . . . . . 4305 1 163 . 1 1 18 18 GLU H H 1 9.260 . . 1 . . . . . . . . 4305 1 164 . 1 1 18 18 GLU N N 15 124.160 . . 1 . . . . . . . . 4305 1 165 . 1 1 19 19 GLU CA C 13 60.550 . . 1 . . . . . . . . 4305 1 166 . 1 1 19 19 GLU CB C 13 29.560 . . 1 . . . . . . . . 4305 1 167 . 1 1 19 19 GLU CG C 13 36.660 . . 1 . . . . . . . . 4305 1 168 . 1 1 19 19 GLU HA H 1 4.040 . . 1 . . . . . . . . 4305 1 169 . 1 1 19 19 GLU HB2 H 1 1.990 . . 2 . . . . . . . . 4305 1 170 . 1 1 19 19 GLU HB3 H 1 2.070 . . 2 . . . . . . . . 4305 1 171 . 1 1 19 19 GLU HG2 H 1 2.420 . . 2 . . . . . . . . 4305 1 172 . 1 1 19 19 GLU HG3 H 1 2.340 . . 2 . . . . . . . . 4305 1 173 . 1 1 19 19 GLU H H 1 9.180 . . 1 . . . . . . . . 4305 1 174 . 1 1 19 19 GLU N N 15 119.270 . . 1 . . . . . . . . 4305 1 175 . 1 1 20 20 MET CA C 13 60.030 . . 1 . . . . . . . . 4305 1 176 . 1 1 20 20 MET CB C 13 33.150 . . 1 . . . . . . . . 4305 1 177 . 1 1 20 20 MET CE C 13 16.910 . . 1 . . . . . . . . 4305 1 178 . 1 1 20 20 MET CG C 13 33.710 . . 1 . . . . . . . . 4305 1 179 . 1 1 20 20 MET HA H 1 3.970 . . 1 . . . . . . . . 4305 1 180 . 1 1 20 20 MET HB2 H 1 2.060 . . 2 . . . . . . . . 4305 1 181 . 1 1 20 20 MET HB3 H 1 2.150 . . 2 . . . . . . . . 4305 1 182 . 1 1 20 20 MET HE1 H 1 1.680 . . 1 . . . . . . . . 4305 1 183 . 1 1 20 20 MET HE2 H 1 1.680 . . 1 . . . . . . . . 4305 1 184 . 1 1 20 20 MET HE3 H 1 1.680 . . 1 . . . . . . . . 4305 1 185 . 1 1 20 20 MET HG2 H 1 2.240 . . 2 . . . . . . . . 4305 1 186 . 1 1 20 20 MET HG3 H 1 2.460 . . 2 . . . . . . . . 4305 1 187 . 1 1 20 20 MET H H 1 7.610 . . 1 . . . . . . . . 4305 1 188 . 1 1 20 20 MET N N 15 121.020 . . 1 . . . . . . . . 4305 1 189 . 1 1 21 21 GLN CA C 13 60.350 . . 1 . . . . . . . . 4305 1 190 . 1 1 21 21 GLN CB C 13 29.120 . . 1 . . . . . . . . 4305 1 191 . 1 1 21 21 GLN CG C 13 34.990 . . 1 . . . . . . . . 4305 1 192 . 1 1 21 21 GLN HA H 1 3.810 . . 1 . . . . . . . . 4305 1 193 . 1 1 21 21 GLN HB2 H 1 2.090 . . 2 . . . . . . . . 4305 1 194 . 1 1 21 21 GLN HB3 H 1 1.940 . . 2 . . . . . . . . 4305 1 195 . 1 1 21 21 GLN HG2 H 1 2.190 . . 2 . . . . . . . . 4305 1 196 . 1 1 21 21 GLN HG3 H 1 2.410 . . 2 . . . . . . . . 4305 1 197 . 1 1 21 21 GLN H H 1 8.580 . . 1 . . . . . . . . 4305 1 198 . 1 1 21 21 GLN N N 15 123.070 . . 1 . . . . . . . . 4305 1 199 . 1 1 21 21 GLN NE2 N 15 111.170 . . 1 . . . . . . . . 4305 1 200 . 1 1 21 21 GLN HE21 H 1 6.740 . . 2 . . . . . . . . 4305 1 201 . 1 1 21 21 GLN HE22 H 1 7.040 . . 2 . . . . . . . . 4305 1 202 . 1 1 22 22 GLN CA C 13 59.360 . . 1 . . . . . . . . 4305 1 203 . 1 1 22 22 GLN CB C 13 27.910 . . 1 . . . . . . . . 4305 1 204 . 1 1 22 22 GLN CG C 13 33.920 . . 1 . . . . . . . . 4305 1 205 . 1 1 22 22 GLN HA H 1 3.900 . . 1 . . . . . . . . 4305 1 206 . 1 1 22 22 GLN HB2 H 1 2.150 . . 1 . . . . . . . . 4305 1 207 . 1 1 22 22 GLN HB3 H 1 2.150 . . 1 . . . . . . . . 4305 1 208 . 1 1 22 22 GLN HG2 H 1 2.460 . . 1 . . . . . . . . 4305 1 209 . 1 1 22 22 GLN HG3 H 1 2.460 . . 1 . . . . . . . . 4305 1 210 . 1 1 22 22 GLN H H 1 7.920 . . 1 . . . . . . . . 4305 1 211 . 1 1 22 22 GLN N N 15 118.600 . . 1 . . . . . . . . 4305 1 212 . 1 1 22 22 GLN NE2 N 15 112.980 . . 1 . . . . . . . . 4305 1 213 . 1 1 22 22 GLN HE21 H 1 6.850 . . 2 . . . . . . . . 4305 1 214 . 1 1 22 22 GLN HE22 H 1 7.610 . . 2 . . . . . . . . 4305 1 215 . 1 1 23 23 ASP CA C 13 57.820 . . 1 . . . . . . . . 4305 1 216 . 1 1 23 23 ASP CB C 13 41.280 . . 1 . . . . . . . . 4305 1 217 . 1 1 23 23 ASP HA H 1 4.620 . . 1 . . . . . . . . 4305 1 218 . 1 1 23 23 ASP HB2 H 1 2.890 . . 2 . . . . . . . . 4305 1 219 . 1 1 23 23 ASP HB3 H 1 2.790 . . 2 . . . . . . . . 4305 1 220 . 1 1 23 23 ASP H H 1 7.900 . . 1 . . . . . . . . 4305 1 221 . 1 1 23 23 ASP N N 15 119.990 . . 1 . . . . . . . . 4305 1 222 . 1 1 24 24 SER CA C 13 63.470 . . 1 . . . . . . . . 4305 1 223 . 1 1 24 24 SER CB C 13 63.470 . . 1 . . . . . . . . 4305 1 224 . 1 1 24 24 SER HA H 1 4.000 . . 1 . . . . . . . . 4305 1 225 . 1 1 24 24 SER HB2 H 1 3.890 . . 2 . . . . . . . . 4305 1 226 . 1 1 24 24 SER HB3 H 1 3.380 . . 2 . . . . . . . . 4305 1 227 . 1 1 24 24 SER H H 1 8.490 . . 1 . . . . . . . . 4305 1 228 . 1 1 24 24 SER N N 15 118.690 . . 1 . . . . . . . . 4305 1 229 . 1 1 25 25 VAL CA C 13 66.930 . . 1 . . . . . . . . 4305 1 230 . 1 1 25 25 VAL CB C 13 32.360 . . 1 . . . . . . . . 4305 1 231 . 1 1 25 25 VAL CG1 C 13 22.150 . . 1 . . . . . . . . 4305 1 232 . 1 1 25 25 VAL CG2 C 13 21.560 . . 1 . . . . . . . . 4305 1 233 . 1 1 25 25 VAL HA H 1 3.450 . . 1 . . . . . . . . 4305 1 234 . 1 1 25 25 VAL HB H 1 1.980 . . 1 . . . . . . . . 4305 1 235 . 1 1 25 25 VAL HG11 H 1 0.820 . . 1 . . . . . . . . 4305 1 236 . 1 1 25 25 VAL HG12 H 1 0.820 . . 1 . . . . . . . . 4305 1 237 . 1 1 25 25 VAL HG13 H 1 0.820 . . 1 . . . . . . . . 4305 1 238 . 1 1 25 25 VAL HG21 H 1 0.360 . . 1 . . . . . . . . 4305 1 239 . 1 1 25 25 VAL HG22 H 1 0.360 . . 1 . . . . . . . . 4305 1 240 . 1 1 25 25 VAL HG23 H 1 0.360 . . 1 . . . . . . . . 4305 1 241 . 1 1 25 25 VAL H H 1 7.370 . . 1 . . . . . . . . 4305 1 242 . 1 1 25 25 VAL N N 15 122.040 . . 1 . . . . . . . . 4305 1 243 . 1 1 26 26 GLU CA C 13 60.370 . . 1 . . . . . . . . 4305 1 244 . 1 1 26 26 GLU CB C 13 29.990 . . 1 . . . . . . . . 4305 1 245 . 1 1 26 26 GLU CG C 13 36.230 . . 1 . . . . . . . . 4305 1 246 . 1 1 26 26 GLU HA H 1 4.080 . . 1 . . . . . . . . 4305 1 247 . 1 1 26 26 GLU HB2 H 1 2.190 . . 1 . . . . . . . . 4305 1 248 . 1 1 26 26 GLU HB3 H 1 2.190 . . 1 . . . . . . . . 4305 1 249 . 1 1 26 26 GLU HG2 H 1 2.380 . . 1 . . . . . . . . 4305 1 250 . 1 1 26 26 GLU HG3 H 1 2.380 . . 1 . . . . . . . . 4305 1 251 . 1 1 26 26 GLU H H 1 8.470 . . 1 . . . . . . . . 4305 1 252 . 1 1 26 26 GLU N N 15 124.010 . . 1 . . . . . . . . 4305 1 253 . 1 1 27 27 CYS CA C 13 63.270 . . 1 . . . . . . . . 4305 1 254 . 1 1 27 27 CYS CB C 13 27.730 . . 1 . . . . . . . . 4305 1 255 . 1 1 27 27 CYS HA H 1 4.260 . . 1 . . . . . . . . 4305 1 256 . 1 1 27 27 CYS HB2 H 1 3.430 . . 2 . . . . . . . . 4305 1 257 . 1 1 27 27 CYS HB3 H 1 2.840 . . 2 . . . . . . . . 4305 1 258 . 1 1 27 27 CYS H H 1 8.890 . . 1 . . . . . . . . 4305 1 259 . 1 1 27 27 CYS N N 15 120.530 . . 1 . . . . . . . . 4305 1 260 . 1 1 28 28 ALA CA C 13 55.600 . . 1 . . . . . . . . 4305 1 261 . 1 1 28 28 ALA CB C 13 20.500 . . 1 . . . . . . . . 4305 1 262 . 1 1 28 28 ALA HA H 1 4.040 . . 1 . . . . . . . . 4305 1 263 . 1 1 28 28 ALA HB1 H 1 1.630 . . 1 . . . . . . . . 4305 1 264 . 1 1 28 28 ALA HB2 H 1 1.630 . . 1 . . . . . . . . 4305 1 265 . 1 1 28 28 ALA HB3 H 1 1.630 . . 1 . . . . . . . . 4305 1 266 . 1 1 28 28 ALA H H 1 8.350 . . 1 . . . . . . . . 4305 1 267 . 1 1 28 28 ALA N N 15 120.500 . . 1 . . . . . . . . 4305 1 268 . 1 1 29 29 THR CA C 13 68.100 . . 1 . . . . . . . . 4305 1 269 . 1 1 29 29 THR CB C 13 68.940 . . 1 . . . . . . . . 4305 1 270 . 1 1 29 29 THR CG2 C 13 21.520 . . 1 . . . . . . . . 4305 1 271 . 1 1 29 29 THR HA H 1 3.770 . . 1 . . . . . . . . 4305 1 272 . 1 1 29 29 THR HB H 1 4.470 . . 1 . . . . . . . . 4305 1 273 . 1 1 29 29 THR HG21 H 1 1.240 . . 1 . . . . . . . . 4305 1 274 . 1 1 29 29 THR HG22 H 1 1.240 . . 1 . . . . . . . . 4305 1 275 . 1 1 29 29 THR HG23 H 1 1.240 . . 1 . . . . . . . . 4305 1 276 . 1 1 29 29 THR H H 1 8.390 . . 1 . . . . . . . . 4305 1 277 . 1 1 29 29 THR N N 15 115.500 . . 1 . . . . . . . . 4305 1 278 . 1 1 30 30 GLN CA C 13 59.090 . . 1 . . . . . . . . 4305 1 279 . 1 1 30 30 GLN CB C 13 28.670 . . 1 . . . . . . . . 4305 1 280 . 1 1 30 30 GLN CG C 13 34.360 . . 1 . . . . . . . . 4305 1 281 . 1 1 30 30 GLN HA H 1 4.000 . . 1 . . . . . . . . 4305 1 282 . 1 1 30 30 GLN HB2 H 1 2.300 . . 2 . . . . . . . . 4305 1 283 . 1 1 30 30 GLN HB3 H 1 2.080 . . 2 . . . . . . . . 4305 1 284 . 1 1 30 30 GLN HG2 H 1 2.600 . . 2 . . . . . . . . 4305 1 285 . 1 1 30 30 GLN HG3 H 1 2.380 . . 2 . . . . . . . . 4305 1 286 . 1 1 30 30 GLN H H 1 7.850 . . 1 . . . . . . . . 4305 1 287 . 1 1 30 30 GLN N N 15 120.550 . . 1 . . . . . . . . 4305 1 288 . 1 1 30 30 GLN NE2 N 15 112.920 . . 1 . . . . . . . . 4305 1 289 . 1 1 30 30 GLN HE21 H 1 6.850 . . 1 . . . . . . . . 4305 1 290 . 1 1 30 30 GLN HE22 H 1 7.680 . . 1 . . . . . . . . 4305 1 291 . 1 1 31 31 ALA CA C 13 55.850 . . 1 . . . . . . . . 4305 1 292 . 1 1 31 31 ALA CB C 13 20.730 . . 1 . . . . . . . . 4305 1 293 . 1 1 31 31 ALA HA H 1 3.650 . . 1 . . . . . . . . 4305 1 294 . 1 1 31 31 ALA HB1 H 1 1.730 . . 1 . . . . . . . . 4305 1 295 . 1 1 31 31 ALA HB2 H 1 1.730 . . 1 . . . . . . . . 4305 1 296 . 1 1 31 31 ALA HB3 H 1 1.730 . . 1 . . . . . . . . 4305 1 297 . 1 1 31 31 ALA H H 1 8.280 . . 1 . . . . . . . . 4305 1 298 . 1 1 31 31 ALA N N 15 122.520 . . 1 . . . . . . . . 4305 1 299 . 1 1 32 32 LEU CA C 13 57.820 . . 1 . . . . . . . . 4305 1 300 . 1 1 32 32 LEU CB C 13 42.610 . . 1 . . . . . . . . 4305 1 301 . 1 1 32 32 LEU CD1 C 13 26.540 . . 1 . . . . . . . . 4305 1 302 . 1 1 32 32 LEU CD2 C 13 25.580 . . 1 . . . . . . . . 4305 1 303 . 1 1 32 32 LEU HA H 1 4.230 . . 1 . . . . . . . . 4305 1 304 . 1 1 32 32 LEU HB2 H 1 1.850 . . 2 . . . . . . . . 4305 1 305 . 1 1 32 32 LEU HB3 H 1 1.640 . . 2 . . . . . . . . 4305 1 306 . 1 1 32 32 LEU HD11 H 1 0.910 . . 1 . . . . . . . . 4305 1 307 . 1 1 32 32 LEU HD12 H 1 0.910 . . 1 . . . . . . . . 4305 1 308 . 1 1 32 32 LEU HD13 H 1 0.910 . . 1 . . . . . . . . 4305 1 309 . 1 1 32 32 LEU HD21 H 1 0.950 . . 1 . . . . . . . . 4305 1 310 . 1 1 32 32 LEU HD22 H 1 0.950 . . 1 . . . . . . . . 4305 1 311 . 1 1 32 32 LEU HD23 H 1 0.950 . . 1 . . . . . . . . 4305 1 312 . 1 1 32 32 LEU HG H 1 1.640 . . 1 . . . . . . . . 4305 1 313 . 1 1 32 32 LEU H H 1 8.260 . . 1 . . . . . . . . 4305 1 314 . 1 1 32 32 LEU N N 15 117.620 . . 1 . . . . . . . . 4305 1 315 . 1 1 33 33 GLU CA C 13 58.040 . . 1 . . . . . . . . 4305 1 316 . 1 1 33 33 GLU CB C 13 30.460 . . 1 . . . . . . . . 4305 1 317 . 1 1 33 33 GLU CG C 13 36.660 . . 1 . . . . . . . . 4305 1 318 . 1 1 33 33 GLU HA H 1 4.110 . . 1 . . . . . . . . 4305 1 319 . 1 1 33 33 GLU HB2 H 1 2.020 . . 2 . . . . . . . . 4305 1 320 . 1 1 33 33 GLU HB3 H 1 2.080 . . 2 . . . . . . . . 4305 1 321 . 1 1 33 33 GLU HG2 H 1 2.240 . . 2 . . . . . . . . 4305 1 322 . 1 1 33 33 GLU HG3 H 1 2.450 . . 2 . . . . . . . . 4305 1 323 . 1 1 33 33 GLU H H 1 7.330 . . 1 . . . . . . . . 4305 1 324 . 1 1 33 33 GLU N N 15 116.580 . . 1 . . . . . . . . 4305 1 325 . 1 1 34 34 LYS CA C 13 58.000 . . 1 . . . . . . . . 4305 1 326 . 1 1 34 34 LYS CB C 13 35.540 . . 1 . . . . . . . . 4305 1 327 . 1 1 34 34 LYS CD C 13 29.630 . . 1 . . . . . . . . 4305 1 328 . 1 1 34 34 LYS CG C 13 25.300 . . 1 . . . . . . . . 4305 1 329 . 1 1 34 34 LYS HA H 1 3.940 . . 1 . . . . . . . . 4305 1 330 . 1 1 34 34 LYS HB2 H 1 1.150 . . 2 . . . . . . . . 4305 1 331 . 1 1 34 34 LYS HB3 H 1 0.880 . . 2 . . . . . . . . 4305 1 332 . 1 1 34 34 LYS HD2 H 1 1.250 . . 1 . . . . . . . . 4305 1 333 . 1 1 34 34 LYS HD3 H 1 1.250 . . 1 . . . . . . . . 4305 1 334 . 1 1 34 34 LYS HE2 H 1 2.800 . . 1 . . . . . . . . 4305 1 335 . 1 1 34 34 LYS HE3 H 1 2.800 . . 1 . . . . . . . . 4305 1 336 . 1 1 34 34 LYS HG2 H 1 1.050 . . 2 . . . . . . . . 4305 1 337 . 1 1 34 34 LYS HG3 H 1 0.730 . . 2 . . . . . . . . 4305 1 338 . 1 1 34 34 LYS H H 1 7.200 . . 1 . . . . . . . . 4305 1 339 . 1 1 34 34 LYS N N 15 118.110 . . 1 . . . . . . . . 4305 1 340 . 1 1 35 35 TYR CA C 13 57.210 . . 1 . . . . . . . . 4305 1 341 . 1 1 35 35 TYR CB C 13 42.450 . . 1 . . . . . . . . 4305 1 342 . 1 1 35 35 TYR HA H 1 4.900 . . 1 . . . . . . . . 4305 1 343 . 1 1 35 35 TYR HB2 H 1 2.660 . . 2 . . . . . . . . 4305 1 344 . 1 1 35 35 TYR HB3 H 1 3.230 . . 2 . . . . . . . . 4305 1 345 . 1 1 35 35 TYR HD2 H 1 7.170 . . 1 . . . . . . . . 4305 1 346 . 1 1 35 35 TYR HD1 H 1 7.170 . . 1 . . . . . . . . 4305 1 347 . 1 1 35 35 TYR HE2 H 1 6.690 . . 1 . . . . . . . . 4305 1 348 . 1 1 35 35 TYR HE1 H 1 6.690 . . 1 . . . . . . . . 4305 1 349 . 1 1 35 35 TYR H H 1 8.050 . . 1 . . . . . . . . 4305 1 350 . 1 1 35 35 TYR N N 15 117.430 . . 1 . . . . . . . . 4305 1 351 . 1 1 36 36 ASN CA C 13 53.370 . . 1 . . . . . . . . 4305 1 352 . 1 1 36 36 ASN CB C 13 40.950 . . 1 . . . . . . . . 4305 1 353 . 1 1 36 36 ASN HA H 1 4.910 . . 1 . . . . . . . . 4305 1 354 . 1 1 36 36 ASN HB2 H 1 2.850 . . 2 . . . . . . . . 4305 1 355 . 1 1 36 36 ASN HB3 H 1 2.780 . . 2 . . . . . . . . 4305 1 356 . 1 1 36 36 ASN H H 1 8.410 . . 1 . . . . . . . . 4305 1 357 . 1 1 36 36 ASN N N 15 114.640 . . 1 . . . . . . . . 4305 1 358 . 1 1 36 36 ASN ND2 N 15 113.040 . . 1 . . . . . . . . 4305 1 359 . 1 1 36 36 ASN HD21 H 1 6.830 . . 2 . . . . . . . . 4305 1 360 . 1 1 36 36 ASN HD22 H 1 7.540 . . 2 . . . . . . . . 4305 1 361 . 1 1 37 37 ILE CA C 13 60.730 . . 1 . . . . . . . . 4305 1 362 . 1 1 37 37 ILE CB C 13 39.050 . . 1 . . . . . . . . 4305 1 363 . 1 1 37 37 ILE CD1 C 13 12.560 . . 1 . . . . . . . . 4305 1 364 . 1 1 37 37 ILE CG1 C 13 27.900 . . 1 . . . . . . . . 4305 1 365 . 1 1 37 37 ILE CG2 C 13 19.080 . . 1 . . . . . . . . 4305 1 366 . 1 1 37 37 ILE HA H 1 4.280 . . 1 . . . . . . . . 4305 1 367 . 1 1 37 37 ILE HB H 1 2.140 . . 1 . . . . . . . . 4305 1 368 . 1 1 37 37 ILE HD11 H 1 0.960 . . 1 . . . . . . . . 4305 1 369 . 1 1 37 37 ILE HD12 H 1 0.960 . . 1 . . . . . . . . 4305 1 370 . 1 1 37 37 ILE HD13 H 1 0.960 . . 1 . . . . . . . . 4305 1 371 . 1 1 37 37 ILE HG12 H 1 1.650 . . 2 . . . . . . . . 4305 1 372 . 1 1 37 37 ILE HG13 H 1 1.390 . . 2 . . . . . . . . 4305 1 373 . 1 1 37 37 ILE HG21 H 1 1.100 . . 1 . . . . . . . . 4305 1 374 . 1 1 37 37 ILE HG22 H 1 1.100 . . 1 . . . . . . . . 4305 1 375 . 1 1 37 37 ILE HG23 H 1 1.100 . . 1 . . . . . . . . 4305 1 376 . 1 1 37 37 ILE H H 1 7.820 . . 1 . . . . . . . . 4305 1 377 . 1 1 37 37 ILE N N 15 121.580 . . 1 . . . . . . . . 4305 1 378 . 1 1 38 38 GLU CA C 13 62.960 . . 1 . . . . . . . . 4305 1 379 . 1 1 38 38 GLU CB C 13 29.110 . . 1 . . . . . . . . 4305 1 380 . 1 1 38 38 GLU HA H 1 3.710 . . 1 . . . . . . . . 4305 1 381 . 1 1 38 38 GLU HB2 H 1 2.080 . . 2 . . . . . . . . 4305 1 382 . 1 1 38 38 GLU HB3 H 1 2.140 . . 2 . . . . . . . . 4305 1 383 . 1 1 38 38 GLU HG2 H 1 2.570 . . 2 . . . . . . . . 4305 1 384 . 1 1 38 38 GLU HG3 H 1 2.360 . . 2 . . . . . . . . 4305 1 385 . 1 1 38 38 GLU H H 1 10.310 . . 1 . . . . . . . . 4305 1 386 . 1 1 38 38 GLU N N 15 130.380 . . 1 . . . . . . . . 4305 1 387 . 1 1 39 39 LYS CA C 13 60.260 . . 1 . . . . . . . . 4305 1 388 . 1 1 39 39 LYS CB C 13 32.170 . . 1 . . . . . . . . 4305 1 389 . 1 1 39 39 LYS CG C 13 24.610 . . 1 . . . . . . . . 4305 1 390 . 1 1 39 39 LYS HA H 1 3.870 . . 1 . . . . . . . . 4305 1 391 . 1 1 39 39 LYS HB2 H 1 2.150 . . 2 . . . . . . . . 4305 1 392 . 1 1 39 39 LYS HB3 H 1 1.760 . . 2 . . . . . . . . 4305 1 393 . 1 1 39 39 LYS HD2 H 1 1.710 . . 1 . . . . . . . . 4305 1 394 . 1 1 39 39 LYS HD3 H 1 1.710 . . 1 . . . . . . . . 4305 1 395 . 1 1 39 39 LYS HE2 H 1 3.080 . . 1 . . . . . . . . 4305 1 396 . 1 1 39 39 LYS HE3 H 1 3.080 . . 1 . . . . . . . . 4305 1 397 . 1 1 39 39 LYS HG2 H 1 1.600 . . 2 . . . . . . . . 4305 1 398 . 1 1 39 39 LYS HG3 H 1 1.490 . . 2 . . . . . . . . 4305 1 399 . 1 1 39 39 LYS H H 1 8.720 . . 1 . . . . . . . . 4305 1 400 . 1 1 39 39 LYS N N 15 117.140 . . 1 . . . . . . . . 4305 1 401 . 1 1 40 40 ASP CA C 13 56.950 . . 1 . . . . . . . . 4305 1 402 . 1 1 40 40 ASP CB C 13 40.350 . . 1 . . . . . . . . 4305 1 403 . 1 1 40 40 ASP HA H 1 4.200 . . 1 . . . . . . . . 4305 1 404 . 1 1 40 40 ASP HB2 H 1 2.660 . . 2 . . . . . . . . 4305 1 405 . 1 1 40 40 ASP HB3 H 1 1.960 . . 2 . . . . . . . . 4305 1 406 . 1 1 40 40 ASP H H 1 6.910 . . 1 . . . . . . . . 4305 1 407 . 1 1 40 40 ASP N N 15 120.640 . . 1 . . . . . . . . 4305 1 408 . 1 1 41 41 ILE CA C 13 66.000 . . 1 . . . . . . . . 4305 1 409 . 1 1 41 41 ILE CB C 13 38.920 . . 1 . . . . . . . . 4305 1 410 . 1 1 41 41 ILE CD1 C 13 14.630 . . 1 . . . . . . . . 4305 1 411 . 1 1 41 41 ILE CG1 C 13 30.690 . . 1 . . . . . . . . 4305 1 412 . 1 1 41 41 ILE CG2 C 13 18.800 . . 1 . . . . . . . . 4305 1 413 . 1 1 41 41 ILE HA H 1 3.450 . . 1 . . . . . . . . 4305 1 414 . 1 1 41 41 ILE HB H 1 1.860 . . 1 . . . . . . . . 4305 1 415 . 1 1 41 41 ILE HD11 H 1 0.740 . . 1 . . . . . . . . 4305 1 416 . 1 1 41 41 ILE HD12 H 1 0.740 . . 1 . . . . . . . . 4305 1 417 . 1 1 41 41 ILE HD13 H 1 0.740 . . 1 . . . . . . . . 4305 1 418 . 1 1 41 41 ILE HG12 H 1 1.650 . . 1 . . . . . . . . 4305 1 419 . 1 1 41 41 ILE HG13 H 1 1.650 . . 1 . . . . . . . . 4305 1 420 . 1 1 41 41 ILE HG21 H 1 0.880 . . 1 . . . . . . . . 4305 1 421 . 1 1 41 41 ILE HG22 H 1 0.880 . . 1 . . . . . . . . 4305 1 422 . 1 1 41 41 ILE HG23 H 1 0.880 . . 1 . . . . . . . . 4305 1 423 . 1 1 41 41 ILE H H 1 7.590 . . 1 . . . . . . . . 4305 1 424 . 1 1 41 41 ILE N N 15 123.220 . . 1 . . . . . . . . 4305 1 425 . 1 1 42 42 ALA CA C 13 55.140 . . 1 . . . . . . . . 4305 1 426 . 1 1 42 42 ALA CB C 13 18.210 . . 1 . . . . . . . . 4305 1 427 . 1 1 42 42 ALA HA H 1 3.960 . . 1 . . . . . . . . 4305 1 428 . 1 1 42 42 ALA HB1 H 1 1.270 . . 1 . . . . . . . . 4305 1 429 . 1 1 42 42 ALA HB2 H 1 1.270 . . 1 . . . . . . . . 4305 1 430 . 1 1 42 42 ALA HB3 H 1 1.270 . . 1 . . . . . . . . 4305 1 431 . 1 1 42 42 ALA H H 1 8.120 . . 1 . . . . . . . . 4305 1 432 . 1 1 42 42 ALA N N 15 119.710 . . 1 . . . . . . . . 4305 1 433 . 1 1 43 43 ALA CA C 13 55.360 . . 1 . . . . . . . . 4305 1 434 . 1 1 43 43 ALA CB C 13 18.620 . . 1 . . . . . . . . 4305 1 435 . 1 1 43 43 ALA HA H 1 3.370 . . 1 . . . . . . . . 4305 1 436 . 1 1 43 43 ALA HB1 H 1 0.830 . . 1 . . . . . . . . 4305 1 437 . 1 1 43 43 ALA HB2 H 1 0.830 . . 1 . . . . . . . . 4305 1 438 . 1 1 43 43 ALA HB3 H 1 0.830 . . 1 . . . . . . . . 4305 1 439 . 1 1 43 43 ALA H H 1 7.860 . . 1 . . . . . . . . 4305 1 440 . 1 1 43 43 ALA N N 15 119.380 . . 1 . . . . . . . . 4305 1 441 . 1 1 44 44 HIS CA C 13 60.850 . . 1 . . . . . . . . 4305 1 442 . 1 1 44 44 HIS CB C 13 31.920 . . 1 . . . . . . . . 4305 1 443 . 1 1 44 44 HIS HA H 1 3.950 . . 1 . . . . . . . . 4305 1 444 . 1 1 44 44 HIS HB2 H 1 3.280 . . 2 . . . . . . . . 4305 1 445 . 1 1 44 44 HIS HB3 H 1 3.120 . . 2 . . . . . . . . 4305 1 446 . 1 1 44 44 HIS HD2 H 1 6.790 . . 1 . . . . . . . . 4305 1 447 . 1 1 44 44 HIS HE1 H 1 7.880 . . 1 . . . . . . . . 4305 1 448 . 1 1 44 44 HIS H H 1 7.400 . . 1 . . . . . . . . 4305 1 449 . 1 1 44 44 HIS N N 15 116.660 . . 1 . . . . . . . . 4305 1 450 . 1 1 45 45 ILE CA C 13 65.360 . . 1 . . . . . . . . 4305 1 451 . 1 1 45 45 ILE CB C 13 38.930 . . 1 . . . . . . . . 4305 1 452 . 1 1 45 45 ILE CD1 C 13 15.670 . . 1 . . . . . . . . 4305 1 453 . 1 1 45 45 ILE CG1 C 13 29.200 . . 1 . . . . . . . . 4305 1 454 . 1 1 45 45 ILE CG2 C 13 19.700 . . 1 . . . . . . . . 4305 1 455 . 1 1 45 45 ILE HA H 1 3.680 . . 1 . . . . . . . . 4305 1 456 . 1 1 45 45 ILE HB H 1 1.960 . . 1 . . . . . . . . 4305 1 457 . 1 1 45 45 ILE HD11 H 1 0.790 . . 1 . . . . . . . . 4305 1 458 . 1 1 45 45 ILE HD12 H 1 0.790 . . 1 . . . . . . . . 4305 1 459 . 1 1 45 45 ILE HD13 H 1 0.790 . . 1 . . . . . . . . 4305 1 460 . 1 1 45 45 ILE HG12 H 1 2.070 . . 1 . . . . . . . . 4305 1 461 . 1 1 45 45 ILE HG13 H 1 2.070 . . 1 . . . . . . . . 4305 1 462 . 1 1 45 45 ILE HG21 H 1 0.690 . . 1 . . . . . . . . 4305 1 463 . 1 1 45 45 ILE HG22 H 1 0.690 . . 1 . . . . . . . . 4305 1 464 . 1 1 45 45 ILE HG23 H 1 0.690 . . 1 . . . . . . . . 4305 1 465 . 1 1 45 45 ILE H H 1 7.480 . . 1 . . . . . . . . 4305 1 466 . 1 1 45 45 ILE N N 15 117.260 . . 1 . . . . . . . . 4305 1 467 . 1 1 46 46 LYS CA C 13 61.520 . . 1 . . . . . . . . 4305 1 468 . 1 1 46 46 LYS CB C 13 36.400 . . 1 . . . . . . . . 4305 1 469 . 1 1 46 46 LYS CG C 13 27.610 . . 1 . . . . . . . . 4305 1 470 . 1 1 46 46 LYS HA H 1 3.440 . . 1 . . . . . . . . 4305 1 471 . 1 1 46 46 LYS HB2 H 1 1.860 . . 2 . . . . . . . . 4305 1 472 . 1 1 46 46 LYS HB3 H 1 2.140 . . 2 . . . . . . . . 4305 1 473 . 1 1 46 46 LYS HG2 H 1 1.420 . . 2 . . . . . . . . 4305 1 474 . 1 1 46 46 LYS HG3 H 1 1.580 . . 2 . . . . . . . . 4305 1 475 . 1 1 46 46 LYS H H 1 8.160 . . 1 . . . . . . . . 4305 1 476 . 1 1 46 46 LYS N N 15 118.880 . . 1 . . . . . . . . 4305 1 477 . 1 1 47 47 LYS CA C 13 60.460 . . 1 . . . . . . . . 4305 1 478 . 1 1 47 47 LYS CB C 13 32.930 . . 1 . . . . . . . . 4305 1 479 . 1 1 47 47 LYS CG C 13 26.960 . . 1 . . . . . . . . 4305 1 480 . 1 1 47 47 LYS HA H 1 3.890 . . 1 . . . . . . . . 4305 1 481 . 1 1 47 47 LYS HB2 H 1 1.790 . . 2 . . . . . . . . 4305 1 482 . 1 1 47 47 LYS HB3 H 1 1.710 . . 2 . . . . . . . . 4305 1 483 . 1 1 47 47 LYS HE2 H 1 2.840 . . 1 . . . . . . . . 4305 1 484 . 1 1 47 47 LYS HE3 H 1 2.840 . . 1 . . . . . . . . 4305 1 485 . 1 1 47 47 LYS HG2 H 1 1.400 . . 1 . . . . . . . . 4305 1 486 . 1 1 47 47 LYS HG3 H 1 1.400 . . 1 . . . . . . . . 4305 1 487 . 1 1 47 47 LYS H H 1 8.360 . . 1 . . . . . . . . 4305 1 488 . 1 1 47 47 LYS N N 15 117.750 . . 1 . . . . . . . . 4305 1 489 . 1 1 48 48 GLU CA C 13 59.200 . . 1 . . . . . . . . 4305 1 490 . 1 1 48 48 GLU CB C 13 29.950 . . 1 . . . . . . . . 4305 1 491 . 1 1 48 48 GLU CG C 13 36.660 . . 1 . . . . . . . . 4305 1 492 . 1 1 48 48 GLU HA H 1 3.900 . . 1 . . . . . . . . 4305 1 493 . 1 1 48 48 GLU HB2 H 1 1.820 . . 2 . . . . . . . . 4305 1 494 . 1 1 48 48 GLU HB3 H 1 2.030 . . 2 . . . . . . . . 4305 1 495 . 1 1 48 48 GLU HG2 H 1 2.380 . . 2 . . . . . . . . 4305 1 496 . 1 1 48 48 GLU HG3 H 1 2.420 . . 2 . . . . . . . . 4305 1 497 . 1 1 48 48 GLU H H 1 7.810 . . 1 . . . . . . . . 4305 1 498 . 1 1 48 48 GLU N N 15 120.140 . . 1 . . . . . . . . 4305 1 499 . 1 1 49 49 PHE CA C 13 63.930 . . 1 . . . . . . . . 4305 1 500 . 1 1 49 49 PHE CB C 13 36.050 . . 1 . . . . . . . . 4305 1 501 . 1 1 49 49 PHE HA H 1 3.660 . . 1 . . . . . . . . 4305 1 502 . 1 1 49 49 PHE HB2 H 1 2.610 . . 2 . . . . . . . . 4305 1 503 . 1 1 49 49 PHE HB3 H 1 0.730 . . 2 . . . . . . . . 4305 1 504 . 1 1 49 49 PHE HD2 H 1 5.840 . . 1 . . . . . . . . 4305 1 505 . 1 1 49 49 PHE HD1 H 1 5.840 . . 1 . . . . . . . . 4305 1 506 . 1 1 49 49 PHE HE2 H 1 6.630 . . 1 . . . . . . . . 4305 1 507 . 1 1 49 49 PHE HE1 H 1 6.630 . . 1 . . . . . . . . 4305 1 508 . 1 1 49 49 PHE H H 1 8.420 . . 1 . . . . . . . . 4305 1 509 . 1 1 49 49 PHE HZ H 1 6.980 . . 1 . . . . . . . . 4305 1 510 . 1 1 49 49 PHE N N 15 123.610 . . 1 . . . . . . . . 4305 1 511 . 1 1 50 50 ASP CA C 13 57.790 . . 1 . . . . . . . . 4305 1 512 . 1 1 50 50 ASP CB C 13 40.570 . . 1 . . . . . . . . 4305 1 513 . 1 1 50 50 ASP HA H 1 4.320 . . 1 . . . . . . . . 4305 1 514 . 1 1 50 50 ASP HB2 H 1 2.790 . . 2 . . . . . . . . 4305 1 515 . 1 1 50 50 ASP HB3 H 1 2.540 . . 2 . . . . . . . . 4305 1 516 . 1 1 50 50 ASP H H 1 8.500 . . 1 . . . . . . . . 4305 1 517 . 1 1 50 50 ASP N N 15 120.650 . . 1 . . . . . . . . 4305 1 518 . 1 1 51 51 LYS CA C 13 59.380 . . 1 . . . . . . . . 4305 1 519 . 1 1 51 51 LYS CB C 13 33.170 . . 1 . . . . . . . . 4305 1 520 . 1 1 51 51 LYS CD C 13 29.600 . . 1 . . . . . . . . 4305 1 521 . 1 1 51 51 LYS CG C 13 25.000 . . 1 . . . . . . . . 4305 1 522 . 1 1 51 51 LYS HA H 1 3.970 . . 1 . . . . . . . . 4305 1 523 . 1 1 51 51 LYS HB2 H 1 1.800 . . 1 . . . . . . . . 4305 1 524 . 1 1 51 51 LYS HB3 H 1 1.800 . . 1 . . . . . . . . 4305 1 525 . 1 1 51 51 LYS HD2 H 1 1.630 . . 1 . . . . . . . . 4305 1 526 . 1 1 51 51 LYS HD3 H 1 1.630 . . 1 . . . . . . . . 4305 1 527 . 1 1 51 51 LYS HE2 H 1 2.840 . . 1 . . . . . . . . 4305 1 528 . 1 1 51 51 LYS HE3 H 1 2.840 . . 1 . . . . . . . . 4305 1 529 . 1 1 51 51 LYS HG2 H 1 1.460 . . 2 . . . . . . . . 4305 1 530 . 1 1 51 51 LYS HG3 H 1 1.250 . . 2 . . . . . . . . 4305 1 531 . 1 1 51 51 LYS H H 1 7.210 . . 1 . . . . . . . . 4305 1 532 . 1 1 51 51 LYS N N 15 117.850 . . 1 . . . . . . . . 4305 1 533 . 1 1 52 52 LYS CA C 13 59.400 . . 1 . . . . . . . . 4305 1 534 . 1 1 52 52 LYS CB C 13 34.460 . . 1 . . . . . . . . 4305 1 535 . 1 1 52 52 LYS CD C 13 29.570 . . 1 . . . . . . . . 4305 1 536 . 1 1 52 52 LYS CG C 13 25.300 . . 1 . . . . . . . . 4305 1 537 . 1 1 52 52 LYS HA H 1 3.760 . . 1 . . . . . . . . 4305 1 538 . 1 1 52 52 LYS HB2 H 1 1.110 . . 2 . . . . . . . . 4305 1 539 . 1 1 52 52 LYS HB3 H 1 0.700 . . 2 . . . . . . . . 4305 1 540 . 1 1 52 52 LYS HD2 H 1 1.190 . . 2 . . . . . . . . 4305 1 541 . 1 1 52 52 LYS HD3 H 1 1.600 . . 2 . . . . . . . . 4305 1 542 . 1 1 52 52 LYS HE2 H 1 2.600 . . 2 . . . . . . . . 4305 1 543 . 1 1 52 52 LYS HE3 H 1 2.540 . . 2 . . . . . . . . 4305 1 544 . 1 1 52 52 LYS HG2 H 1 0.910 . . 2 . . . . . . . . 4305 1 545 . 1 1 52 52 LYS HG3 H 1 0.270 . . 2 . . . . . . . . 4305 1 546 . 1 1 52 52 LYS H H 1 7.990 . . 1 . . . . . . . . 4305 1 547 . 1 1 52 52 LYS N N 15 118.200 . . 1 . . . . . . . . 4305 1 548 . 1 1 53 53 TYR CA C 13 58.390 . . 1 . . . . . . . . 4305 1 549 . 1 1 53 53 TYR CB C 13 40.700 . . 1 . . . . . . . . 4305 1 550 . 1 1 53 53 TYR HA H 1 4.880 . . 1 . . . . . . . . 4305 1 551 . 1 1 53 53 TYR HB2 H 1 3.910 . . 2 . . . . . . . . 4305 1 552 . 1 1 53 53 TYR HB3 H 1 2.780 . . 2 . . . . . . . . 4305 1 553 . 1 1 53 53 TYR HD2 H 1 6.510 . . 1 . . . . . . . . 4305 1 554 . 1 1 53 53 TYR HD1 H 1 6.510 . . 1 . . . . . . . . 4305 1 555 . 1 1 53 53 TYR HE2 H 1 6.220 . . 1 . . . . . . . . 4305 1 556 . 1 1 53 53 TYR HE1 H 1 6.220 . . 1 . . . . . . . . 4305 1 557 . 1 1 53 53 TYR H H 1 8.410 . . 1 . . . . . . . . 4305 1 558 . 1 1 53 53 TYR N N 15 115.610 . . 1 . . . . . . . . 4305 1 559 . 1 1 54 54 ASN CA C 13 55.770 . . 1 . . . . . . . . 4305 1 560 . 1 1 54 54 ASN CB C 13 37.000 . . 1 . . . . . . . . 4305 1 561 . 1 1 54 54 ASN HA H 1 4.910 . . 1 . . . . . . . . 4305 1 562 . 1 1 54 54 ASN HB2 H 1 3.700 . . 2 . . . . . . . . 4305 1 563 . 1 1 54 54 ASN HB3 H 1 2.900 . . 2 . . . . . . . . 4305 1 564 . 1 1 54 54 ASN H H 1 6.930 . . 1 . . . . . . . . 4305 1 565 . 1 1 54 54 ASN N N 15 113.560 . . 1 . . . . . . . . 4305 1 566 . 1 1 54 54 ASN ND2 N 15 113.550 . . 1 . . . . . . . . 4305 1 567 . 1 1 54 54 ASN HD21 H 1 6.970 . . 2 . . . . . . . . 4305 1 568 . 1 1 54 54 ASN HD22 H 1 7.580 . . 2 . . . . . . . . 4305 1 569 . 1 1 55 55 PRO CA C 13 60.920 . . 1 . . . . . . . . 4305 1 570 . 1 1 55 55 PRO CB C 13 32.730 . . 1 . . . . . . . . 4305 1 571 . 1 1 55 55 PRO CD C 13 50.800 . . 1 . . . . . . . . 4305 1 572 . 1 1 55 55 PRO CG C 13 28.450 . . 1 . . . . . . . . 4305 1 573 . 1 1 55 55 PRO HA H 1 5.180 . . 1 . . . . . . . . 4305 1 574 . 1 1 55 55 PRO HB2 H 1 2.210 . . 2 . . . . . . . . 4305 1 575 . 1 1 55 55 PRO HB3 H 1 2.030 . . 2 . . . . . . . . 4305 1 576 . 1 1 55 55 PRO HD2 H 1 3.570 . . 2 . . . . . . . . 4305 1 577 . 1 1 55 55 PRO HD3 H 1 3.870 . . 2 . . . . . . . . 4305 1 578 . 1 1 55 55 PRO HG2 H 1 1.890 . . 2 . . . . . . . . 4305 1 579 . 1 1 55 55 PRO HG3 H 1 2.020 . . 2 . . . . . . . . 4305 1 580 . 1 1 56 56 THR CA C 13 65.270 . . 1 . . . . . . . . 4305 1 581 . 1 1 56 56 THR CB C 13 69.950 . . 1 . . . . . . . . 4305 1 582 . 1 1 56 56 THR CG2 C 13 23.120 . . 1 . . . . . . . . 4305 1 583 . 1 1 56 56 THR HA H 1 3.750 . . 1 . . . . . . . . 4305 1 584 . 1 1 56 56 THR HB H 1 3.790 . . 1 . . . . . . . . 4305 1 585 . 1 1 56 56 THR HG21 H 1 0.930 . . 1 . . . . . . . . 4305 1 586 . 1 1 56 56 THR HG22 H 1 0.930 . . 1 . . . . . . . . 4305 1 587 . 1 1 56 56 THR HG23 H 1 0.930 . . 1 . . . . . . . . 4305 1 588 . 1 1 56 56 THR H H 1 7.970 . . 1 . . . . . . . . 4305 1 589 . 1 1 56 56 THR N N 15 121.500 . . 1 . . . . . . . . 4305 1 590 . 1 1 57 57 TRP CA C 13 56.360 . . 1 . . . . . . . . 4305 1 591 . 1 1 57 57 TRP CB C 13 30.260 . . 1 . . . . . . . . 4305 1 592 . 1 1 57 57 TRP HA H 1 4.720 . . 1 . . . . . . . . 4305 1 593 . 1 1 57 57 TRP HB2 H 1 3.050 . . 2 . . . . . . . . 4305 1 594 . 1 1 57 57 TRP HB3 H 1 2.340 . . 2 . . . . . . . . 4305 1 595 . 1 1 57 57 TRP HD1 H 1 8.090 . . 2 . . . . . . . . 4305 1 596 . 1 1 57 57 TRP HE1 H 1 9.100 . . 2 . . . . . . . . 4305 1 597 . 1 1 57 57 TRP HE3 H 1 7.240 . . 1 . . . . . . . . 4305 1 598 . 1 1 57 57 TRP HH2 H 1 7.310 . . 1 . . . . . . . . 4305 1 599 . 1 1 57 57 TRP H H 1 9.520 . . 1 . . . . . . . . 4305 1 600 . 1 1 57 57 TRP HZ2 H 1 7.430 . . 1 . . . . . . . . 4305 1 601 . 1 1 57 57 TRP HZ3 H 1 6.610 . . 1 . . . . . . . . 4305 1 602 . 1 1 57 57 TRP N N 15 128.290 . . 1 . . . . . . . . 4305 1 603 . 1 1 57 57 TRP NE1 N 15 130.996 . . 1 . . . . . . . . 4305 1 604 . 1 1 58 58 HIS CA C 13 55.400 . . 1 . . . . . . . . 4305 1 605 . 1 1 58 58 HIS CB C 13 34.620 . . 1 . . . . . . . . 4305 1 606 . 1 1 58 58 HIS HA H 1 4.830 . . 1 . . . . . . . . 4305 1 607 . 1 1 58 58 HIS HB2 H 1 2.550 . . 2 . . . . . . . . 4305 1 608 . 1 1 58 58 HIS HB3 H 1 1.740 . . 2 . . . . . . . . 4305 1 609 . 1 1 58 58 HIS HD2 H 1 7.280 . . 2 . . . . . . . . 4305 1 610 . 1 1 58 58 HIS HE1 H 1 8.470 . . 2 . . . . . . . . 4305 1 611 . 1 1 58 58 HIS H H 1 8.530 . . 1 . . . . . . . . 4305 1 612 . 1 1 58 58 HIS N N 15 118.970 . . 1 . . . . . . . . 4305 1 613 . 1 1 59 59 CYS CA C 13 57.050 . . 1 . . . . . . . . 4305 1 614 . 1 1 59 59 CYS CB C 13 31.430 . . 1 . . . . . . . . 4305 1 615 . 1 1 59 59 CYS HA H 1 5.840 . . 1 . . . . . . . . 4305 1 616 . 1 1 59 59 CYS HB2 H 1 2.520 . . 2 . . . . . . . . 4305 1 617 . 1 1 59 59 CYS HB3 H 1 2.860 . . 2 . . . . . . . . 4305 1 618 . 1 1 59 59 CYS H H 1 8.240 . . 1 . . . . . . . . 4305 1 619 . 1 1 59 59 CYS N N 15 121.300 . . 1 . . . . . . . . 4305 1 620 . 1 1 60 60 ILE CA C 13 60.270 . . 1 . . . . . . . . 4305 1 621 . 1 1 60 60 ILE CB C 13 40.090 . . 1 . . . . . . . . 4305 1 622 . 1 1 60 60 ILE CD1 C 13 13.740 . . 1 . . . . . . . . 4305 1 623 . 1 1 60 60 ILE CG1 C 13 29.950 . . 1 . . . . . . . . 4305 1 624 . 1 1 60 60 ILE CG2 C 13 19.280 . . 1 . . . . . . . . 4305 1 625 . 1 1 60 60 ILE HA H 1 4.540 . . 1 . . . . . . . . 4305 1 626 . 1 1 60 60 ILE HB H 1 1.610 . . 1 . . . . . . . . 4305 1 627 . 1 1 60 60 ILE HD11 H 1 0.740 . . 1 . . . . . . . . 4305 1 628 . 1 1 60 60 ILE HD12 H 1 0.740 . . 1 . . . . . . . . 4305 1 629 . 1 1 60 60 ILE HD13 H 1 0.740 . . 1 . . . . . . . . 4305 1 630 . 1 1 60 60 ILE HG12 H 1 1.130 . . 2 . . . . . . . . 4305 1 631 . 1 1 60 60 ILE HG13 H 1 1.320 . . 2 . . . . . . . . 4305 1 632 . 1 1 60 60 ILE HG21 H 1 -0.210 . . 1 . . . . . . . . 4305 1 633 . 1 1 60 60 ILE HG22 H 1 -0.210 . . 1 . . . . . . . . 4305 1 634 . 1 1 60 60 ILE HG23 H 1 -0.210 . . 1 . . . . . . . . 4305 1 635 . 1 1 60 60 ILE H H 1 9.330 . . 1 . . . . . . . . 4305 1 636 . 1 1 60 60 ILE N N 15 132.850 . . 1 . . . . . . . . 4305 1 637 . 1 1 61 61 VAL CA C 13 59.980 . . 1 . . . . . . . . 4305 1 638 . 1 1 61 61 VAL CB C 13 36.900 . . 1 . . . . . . . . 4305 1 639 . 1 1 61 61 VAL CG1 C 13 22.540 . . 1 . . . . . . . . 4305 1 640 . 1 1 61 61 VAL CG2 C 13 21.470 . . 1 . . . . . . . . 4305 1 641 . 1 1 61 61 VAL HA H 1 5.370 . . 1 . . . . . . . . 4305 1 642 . 1 1 61 61 VAL HB H 1 1.720 . . 1 . . . . . . . . 4305 1 643 . 1 1 61 61 VAL HG11 H 1 0.850 . . 1 . . . . . . . . 4305 1 644 . 1 1 61 61 VAL HG12 H 1 0.850 . . 1 . . . . . . . . 4305 1 645 . 1 1 61 61 VAL HG13 H 1 0.850 . . 1 . . . . . . . . 4305 1 646 . 1 1 61 61 VAL HG21 H 1 0.780 . . 1 . . . . . . . . 4305 1 647 . 1 1 61 61 VAL HG22 H 1 0.780 . . 1 . . . . . . . . 4305 1 648 . 1 1 61 61 VAL HG23 H 1 0.780 . . 1 . . . . . . . . 4305 1 649 . 1 1 61 61 VAL H H 1 8.290 . . 1 . . . . . . . . 4305 1 650 . 1 1 61 61 VAL N N 15 125.030 . . 1 . . . . . . . . 4305 1 651 . 1 1 62 62 GLY CA C 13 47.080 . . 1 . . . . . . . . 4305 1 652 . 1 1 62 62 GLY HA2 H 1 4.900 . . 2 . . . . . . . . 4305 1 653 . 1 1 62 62 GLY HA3 H 1 4.510 . . 2 . . . . . . . . 4305 1 654 . 1 1 62 62 GLY H H 1 9.610 . . 1 . . . . . . . . 4305 1 655 . 1 1 62 62 GLY N N 15 112.860 . . 1 . . . . . . . . 4305 1 656 . 1 1 63 63 ARG CA C 13 57.520 . . 1 . . . . . . . . 4305 1 657 . 1 1 63 63 ARG CB C 13 32.380 . . 1 . . . . . . . . 4305 1 658 . 1 1 63 63 ARG HA H 1 4.830 . . 1 . . . . . . . . 4305 1 659 . 1 1 63 63 ARG HB2 H 1 2.120 . . 2 . . . . . . . . 4305 1 660 . 1 1 63 63 ARG HB3 H 1 1.790 . . 2 . . . . . . . . 4305 1 661 . 1 1 63 63 ARG HD2 H 1 3.230 . . 1 . . . . . . . . 4305 1 662 . 1 1 63 63 ARG HD3 H 1 3.230 . . 1 . . . . . . . . 4305 1 663 . 1 1 63 63 ARG HG2 H 1 1.480 . . 2 . . . . . . . . 4305 1 664 . 1 1 63 63 ARG HG3 H 1 1.590 . . 2 . . . . . . . . 4305 1 665 . 1 1 63 63 ARG H H 1 8.790 . . 1 . . . . . . . . 4305 1 666 . 1 1 63 63 ARG N N 15 119.330 . . 1 . . . . . . . . 4305 1 667 . 1 1 64 64 ASN CA C 13 55.120 . . 1 . . . . . . . . 4305 1 668 . 1 1 64 64 ASN CB C 13 41.880 . . 1 . . . . . . . . 4305 1 669 . 1 1 64 64 ASN HA H 1 5.090 . . 1 . . . . . . . . 4305 1 670 . 1 1 64 64 ASN HB2 H 1 2.940 . . 2 . . . . . . . . 4305 1 671 . 1 1 64 64 ASN HB3 H 1 2.860 . . 2 . . . . . . . . 4305 1 672 . 1 1 64 64 ASN H H 1 8.920 . . 1 . . . . . . . . 4305 1 673 . 1 1 64 64 ASN N N 15 117.080 . . 1 . . . . . . . . 4305 1 674 . 1 1 64 64 ASN ND2 N 15 113.390 . . 1 . . . . . . . . 4305 1 675 . 1 1 64 64 ASN HD21 H 1 7.110 . . 2 . . . . . . . . 4305 1 676 . 1 1 64 64 ASN HD22 H 1 7.860 . . 2 . . . . . . . . 4305 1 677 . 1 1 65 65 PHE CA C 13 57.930 . . 1 . . . . . . . . 4305 1 678 . 1 1 65 65 PHE CB C 13 40.420 . . 1 . . . . . . . . 4305 1 679 . 1 1 65 65 PHE HA H 1 5.290 . . 1 . . . . . . . . 4305 1 680 . 1 1 65 65 PHE HB2 H 1 3.170 . . 2 . . . . . . . . 4305 1 681 . 1 1 65 65 PHE HB3 H 1 2.390 . . 2 . . . . . . . . 4305 1 682 . 1 1 65 65 PHE HD2 H 1 6.650 . . 1 . . . . . . . . 4305 1 683 . 1 1 65 65 PHE HD1 H 1 6.650 . . 1 . . . . . . . . 4305 1 684 . 1 1 65 65 PHE HE2 H 1 7.100 . . 1 . . . . . . . . 4305 1 685 . 1 1 65 65 PHE HE1 H 1 7.100 . . 1 . . . . . . . . 4305 1 686 . 1 1 65 65 PHE H H 1 7.980 . . 1 . . . . . . . . 4305 1 687 . 1 1 65 65 PHE HZ H 1 6.890 . . 1 . . . . . . . . 4305 1 688 . 1 1 65 65 PHE N N 15 119.750 . . 1 . . . . . . . . 4305 1 689 . 1 1 66 66 GLY CA C 13 44.020 . . 1 . . . . . . . . 4305 1 690 . 1 1 66 66 GLY HA2 H 1 4.590 . . 2 . . . . . . . . 4305 1 691 . 1 1 66 66 GLY HA3 H 1 3.380 . . 2 . . . . . . . . 4305 1 692 . 1 1 66 66 GLY H H 1 9.530 . . 1 . . . . . . . . 4305 1 693 . 1 1 66 66 GLY N N 15 108.450 . . 1 . . . . . . . . 4305 1 694 . 1 1 67 67 SER CA C 13 57.610 . . 1 . . . . . . . . 4305 1 695 . 1 1 67 67 SER CB C 13 68.590 . . 1 . . . . . . . . 4305 1 696 . 1 1 67 67 SER HA H 1 5.250 . . 1 . . . . . . . . 4305 1 697 . 1 1 67 67 SER HB2 H 1 3.580 . . 1 . . . . . . . . 4305 1 698 . 1 1 67 67 SER HB3 H 1 3.580 . . 1 . . . . . . . . 4305 1 699 . 1 1 67 67 SER H H 1 8.200 . . 1 . . . . . . . . 4305 1 700 . 1 1 67 67 SER N N 15 112.230 . . 1 . . . . . . . . 4305 1 701 . 1 1 68 68 TYR CA C 13 61.000 . . 1 . . . . . . . . 4305 1 702 . 1 1 68 68 TYR CB C 13 39.800 . . 1 . . . . . . . . 4305 1 703 . 1 1 68 68 TYR HA H 1 5.090 . . 1 . . . . . . . . 4305 1 704 . 1 1 68 68 TYR HB2 H 1 2.790 . . 2 . . . . . . . . 4305 1 705 . 1 1 68 68 TYR HB3 H 1 2.950 . . 2 . . . . . . . . 4305 1 706 . 1 1 68 68 TYR H H 1 8.810 . . 1 . . . . . . . . 4305 1 707 . 1 1 68 68 TYR N N 15 122.850 . . 1 . . . . . . . . 4305 1 708 . 1 1 69 69 VAL CA C 13 57.700 . . 1 . . . . . . . . 4305 1 709 . 1 1 69 69 VAL CB C 13 34.050 . . 1 . . . . . . . . 4305 1 710 . 1 1 69 69 VAL CG1 C 13 21.250 . . 1 . . . . . . . . 4305 1 711 . 1 1 69 69 VAL CG2 C 13 17.220 . . 1 . . . . . . . . 4305 1 712 . 1 1 69 69 VAL HA H 1 5.050 . . 1 . . . . . . . . 4305 1 713 . 1 1 69 69 VAL HB H 1 2.270 . . 1 . . . . . . . . 4305 1 714 . 1 1 69 69 VAL HG11 H 1 0.560 . . 1 . . . . . . . . 4305 1 715 . 1 1 69 69 VAL HG12 H 1 0.560 . . 1 . . . . . . . . 4305 1 716 . 1 1 69 69 VAL HG13 H 1 0.560 . . 1 . . . . . . . . 4305 1 717 . 1 1 69 69 VAL HG21 H 1 -0.110 . . 1 . . . . . . . . 4305 1 718 . 1 1 69 69 VAL HG22 H 1 -0.110 . . 1 . . . . . . . . 4305 1 719 . 1 1 69 69 VAL HG23 H 1 -0.110 . . 1 . . . . . . . . 4305 1 720 . 1 1 69 69 VAL H H 1 7.970 . . 1 . . . . . . . . 4305 1 721 . 1 1 69 69 VAL N N 15 120.180 . . 1 . . . . . . . . 4305 1 722 . 1 1 70 70 THR CA C 13 64.800 . . 1 . . . . . . . . 4305 1 723 . 1 1 70 70 THR CB C 13 70.640 . . 1 . . . . . . . . 4305 1 724 . 1 1 70 70 THR CG2 C 13 22.440 . . 1 . . . . . . . . 4305 1 725 . 1 1 70 70 THR HA H 1 4.460 . . 1 . . . . . . . . 4305 1 726 . 1 1 70 70 THR HB H 1 3.590 . . 1 . . . . . . . . 4305 1 727 . 1 1 70 70 THR HG21 H 1 1.130 . . 1 . . . . . . . . 4305 1 728 . 1 1 70 70 THR HG22 H 1 1.130 . . 1 . . . . . . . . 4305 1 729 . 1 1 70 70 THR HG23 H 1 1.130 . . 1 . . . . . . . . 4305 1 730 . 1 1 70 70 THR H H 1 9.170 . . 1 . . . . . . . . 4305 1 731 . 1 1 70 70 THR N N 15 122.480 . . 1 . . . . . . . . 4305 1 732 . 1 1 71 71 HIS CA C 13 59.700 . . 1 . . . . . . . . 4305 1 733 . 1 1 71 71 HIS CB C 13 30.500 . . 1 . . . . . . . . 4305 1 734 . 1 1 71 71 HIS HA H 1 3.690 . . 1 . . . . . . . . 4305 1 735 . 1 1 71 71 HIS HD2 H 1 7.280 . . 2 . . . . . . . . 4305 1 736 . 1 1 71 71 HIS HE1 H 1 8.470 . . 2 . . . . . . . . 4305 1 737 . 1 1 71 71 HIS H H 1 9.220 . . 1 . . . . . . . . 4305 1 738 . 1 1 71 71 HIS N N 15 124.290 . . 1 . . . . . . . . 4305 1 739 . 1 1 72 72 GLU CA C 13 55.500 . . 1 . . . . . . . . 4305 1 740 . 1 1 72 72 GLU CB C 13 30.000 . . 1 . . . . . . . . 4305 1 741 . 1 1 72 72 GLU HA H 1 5.140 . . 1 . . . . . . . . 4305 1 742 . 1 1 72 72 GLU HB2 H 1 2.970 . . 1 . . . . . . . . 4305 1 743 . 1 1 72 72 GLU HB3 H 1 2.970 . . 1 . . . . . . . . 4305 1 744 . 1 1 72 72 GLU H H 1 8.200 . . 1 . . . . . . . . 4305 1 745 . 1 1 72 72 GLU N N 15 116.480 . . 1 . . . . . . . . 4305 1 746 . 1 1 73 73 THR CA C 13 60.000 . . 1 . . . . . . . . 4305 1 747 . 1 1 73 73 THR CB C 13 64.050 . . 1 . . . . . . . . 4305 1 748 . 1 1 73 73 THR CG2 C 13 22.140 . . 1 . . . . . . . . 4305 1 749 . 1 1 73 73 THR HA H 1 4.710 . . 1 . . . . . . . . 4305 1 750 . 1 1 73 73 THR HB H 1 4.290 . . 1 . . . . . . . . 4305 1 751 . 1 1 73 73 THR HG21 H 1 1.330 . . 1 . . . . . . . . 4305 1 752 . 1 1 73 73 THR HG22 H 1 1.330 . . 1 . . . . . . . . 4305 1 753 . 1 1 73 73 THR HG23 H 1 1.330 . . 1 . . . . . . . . 4305 1 754 . 1 1 73 73 THR H H 1 8.150 . . 1 . . . . . . . . 4305 1 755 . 1 1 73 73 THR N N 15 121.500 . . 1 . . . . . . . . 4305 1 756 . 1 1 74 74 LYS CA C 13 61.500 . . 1 . . . . . . . . 4305 1 757 . 1 1 74 74 LYS CB C 13 39.500 . . 1 . . . . . . . . 4305 1 758 . 1 1 74 74 LYS HA H 1 4.710 . . 1 . . . . . . . . 4305 1 759 . 1 1 74 74 LYS H H 1 8.480 . . 1 . . . . . . . . 4305 1 760 . 1 1 74 74 LYS N N 15 123.800 . . 1 . . . . . . . . 4305 1 761 . 1 1 75 75 HIS CA C 13 59.600 . . 1 . . . . . . . . 4305 1 762 . 1 1 75 75 HIS CB C 13 30.500 . . 1 . . . . . . . . 4305 1 763 . 1 1 75 75 HIS HA H 1 4.400 . . 1 . . . . . . . . 4305 1 764 . 1 1 75 75 HIS HB2 H 1 2.160 . . 2 . . . . . . . . 4305 1 765 . 1 1 75 75 HIS HB3 H 1 1.510 . . 2 . . . . . . . . 4305 1 766 . 1 1 76 76 PHE CA C 13 58.610 . . 1 . . . . . . . . 4305 1 767 . 1 1 76 76 PHE HA H 1 5.300 . . 1 . . . . . . . . 4305 1 768 . 1 1 76 76 PHE HB2 H 1 2.980 . . 1 . . . . . . . . 4305 1 769 . 1 1 76 76 PHE HB3 H 1 2.980 . . 1 . . . . . . . . 4305 1 770 . 1 1 76 76 PHE HD2 H 1 6.980 . . 1 . . . . . . . . 4305 1 771 . 1 1 76 76 PHE HD1 H 1 6.980 . . 1 . . . . . . . . 4305 1 772 . 1 1 76 76 PHE HE2 H 1 6.510 . . 1 . . . . . . . . 4305 1 773 . 1 1 76 76 PHE HE1 H 1 6.510 . . 1 . . . . . . . . 4305 1 774 . 1 1 76 76 PHE H H 1 8.140 . . 1 . . . . . . . . 4305 1 775 . 1 1 76 76 PHE HZ H 1 6.700 . . 1 . . . . . . . . 4305 1 776 . 1 1 76 76 PHE N N 15 121.800 . . 1 . . . . . . . . 4305 1 777 . 1 1 77 77 ILE CA C 13 62.400 . . 1 . . . . . . . . 4305 1 778 . 1 1 77 77 ILE CB C 13 41.100 . . 1 . . . . . . . . 4305 1 779 . 1 1 77 77 ILE CD1 C 13 14.200 . . 1 . . . . . . . . 4305 1 780 . 1 1 77 77 ILE CG1 C 13 22.860 . . 1 . . . . . . . . 4305 1 781 . 1 1 77 77 ILE CG2 C 13 15.900 . . 1 . . . . . . . . 4305 1 782 . 1 1 77 77 ILE HA H 1 4.420 . . 1 . . . . . . . . 4305 1 783 . 1 1 77 77 ILE HB H 1 2.280 . . 1 . . . . . . . . 4305 1 784 . 1 1 77 77 ILE HD11 H 1 0.670 . . 1 . . . . . . . . 4305 1 785 . 1 1 77 77 ILE HD12 H 1 0.670 . . 1 . . . . . . . . 4305 1 786 . 1 1 77 77 ILE HD13 H 1 0.670 . . 1 . . . . . . . . 4305 1 787 . 1 1 77 77 ILE HG12 H 1 1.340 . . 2 . . . . . . . . 4305 1 788 . 1 1 77 77 ILE HG13 H 1 1.680 . . 2 . . . . . . . . 4305 1 789 . 1 1 77 77 ILE HG21 H 1 1.050 . . 1 . . . . . . . . 4305 1 790 . 1 1 77 77 ILE HG22 H 1 1.050 . . 1 . . . . . . . . 4305 1 791 . 1 1 77 77 ILE HG23 H 1 1.050 . . 1 . . . . . . . . 4305 1 792 . 1 1 77 77 ILE H H 1 8.770 . . 1 . . . . . . . . 4305 1 793 . 1 1 77 77 ILE N N 15 129.600 . . 1 . . . . . . . . 4305 1 794 . 1 1 78 78 TYR CA C 13 54.820 . . 1 . . . . . . . . 4305 1 795 . 1 1 78 78 TYR CB C 13 41.440 . . 1 . . . . . . . . 4305 1 796 . 1 1 78 78 TYR HA H 1 5.980 . . 1 . . . . . . . . 4305 1 797 . 1 1 78 78 TYR HB2 H 1 3.050 . . 2 . . . . . . . . 4305 1 798 . 1 1 78 78 TYR HB3 H 1 2.890 . . 2 . . . . . . . . 4305 1 799 . 1 1 78 78 TYR HD2 H 1 7.170 . . 1 . . . . . . . . 4305 1 800 . 1 1 78 78 TYR HD1 H 1 7.170 . . 1 . . . . . . . . 4305 1 801 . 1 1 78 78 TYR HE2 H 1 6.550 . . 1 . . . . . . . . 4305 1 802 . 1 1 78 78 TYR HE1 H 1 6.550 . . 1 . . . . . . . . 4305 1 803 . 1 1 78 78 TYR H H 1 8.300 . . 1 . . . . . . . . 4305 1 804 . 1 1 78 78 TYR N N 15 127.050 . . 1 . . . . . . . . 4305 1 805 . 1 1 79 79 PHE CA C 13 55.350 . . 1 . . . . . . . . 4305 1 806 . 1 1 79 79 PHE CB C 13 43.570 . . 1 . . . . . . . . 4305 1 807 . 1 1 79 79 PHE HA H 1 5.220 . . 1 . . . . . . . . 4305 1 808 . 1 1 79 79 PHE HB2 H 1 3.030 . . 2 . . . . . . . . 4305 1 809 . 1 1 79 79 PHE HB3 H 1 2.930 . . 2 . . . . . . . . 4305 1 810 . 1 1 79 79 PHE HD2 H 1 6.960 . . 1 . . . . . . . . 4305 1 811 . 1 1 79 79 PHE HD1 H 1 6.960 . . 1 . . . . . . . . 4305 1 812 . 1 1 79 79 PHE HE2 H 1 6.900 . . 1 . . . . . . . . 4305 1 813 . 1 1 79 79 PHE HE1 H 1 6.900 . . 1 . . . . . . . . 4305 1 814 . 1 1 79 79 PHE H H 1 9.300 . . 1 . . . . . . . . 4305 1 815 . 1 1 79 79 PHE HZ H 1 7.090 . . 1 . . . . . . . . 4305 1 816 . 1 1 79 79 PHE N N 15 125.330 . . 1 . . . . . . . . 4305 1 817 . 1 1 80 80 TYR CA C 13 56.350 . . 1 . . . . . . . . 4305 1 818 . 1 1 80 80 TYR CB C 13 42.040 . . 1 . . . . . . . . 4305 1 819 . 1 1 80 80 TYR HA H 1 5.320 . . 1 . . . . . . . . 4305 1 820 . 1 1 80 80 TYR HB2 H 1 3.020 . . 2 . . . . . . . . 4305 1 821 . 1 1 80 80 TYR HB3 H 1 2.800 . . 2 . . . . . . . . 4305 1 822 . 1 1 80 80 TYR HD2 H 1 6.790 . . 1 . . . . . . . . 4305 1 823 . 1 1 80 80 TYR HD1 H 1 6.790 . . 1 . . . . . . . . 4305 1 824 . 1 1 80 80 TYR HE2 H 1 6.610 . . 1 . . . . . . . . 4305 1 825 . 1 1 80 80 TYR HE1 H 1 6.610 . . 1 . . . . . . . . 4305 1 826 . 1 1 80 80 TYR H H 1 9.180 . . 1 . . . . . . . . 4305 1 827 . 1 1 80 80 TYR N N 15 118.630 . . 1 . . . . . . . . 4305 1 828 . 1 1 81 81 LEU CA C 13 54.240 . . 1 . . . . . . . . 4305 1 829 . 1 1 81 81 LEU CB C 13 43.630 . . 1 . . . . . . . . 4305 1 830 . 1 1 81 81 LEU CD1 C 13 27.080 . . 1 . . . . . . . . 4305 1 831 . 1 1 81 81 LEU CD2 C 13 25.300 . . 1 . . . . . . . . 4305 1 832 . 1 1 81 81 LEU CG C 13 27.770 . . 1 . . . . . . . . 4305 1 833 . 1 1 81 81 LEU HA H 1 4.680 . . 1 . . . . . . . . 4305 1 834 . 1 1 81 81 LEU HB2 H 1 1.420 . . 2 . . . . . . . . 4305 1 835 . 1 1 81 81 LEU HB3 H 1 1.530 . . 2 . . . . . . . . 4305 1 836 . 1 1 81 81 LEU HD11 H 1 0.950 . . 1 . . . . . . . . 4305 1 837 . 1 1 81 81 LEU HD12 H 1 0.950 . . 1 . . . . . . . . 4305 1 838 . 1 1 81 81 LEU HD13 H 1 0.950 . . 1 . . . . . . . . 4305 1 839 . 1 1 81 81 LEU HD21 H 1 1.010 . . 1 . . . . . . . . 4305 1 840 . 1 1 81 81 LEU HD22 H 1 1.010 . . 1 . . . . . . . . 4305 1 841 . 1 1 81 81 LEU HD23 H 1 1.010 . . 1 . . . . . . . . 4305 1 842 . 1 1 81 81 LEU HG H 1 1.620 . . 1 . . . . . . . . 4305 1 843 . 1 1 81 81 LEU H H 1 8.810 . . 1 . . . . . . . . 4305 1 844 . 1 1 81 81 LEU N N 15 122.850 . . 1 . . . . . . . . 4305 1 845 . 1 1 82 82 GLY CA C 13 47.440 . . 1 . . . . . . . . 4305 1 846 . 1 1 82 82 GLY HA2 H 1 4.050 . . 2 . . . . . . . . 4305 1 847 . 1 1 82 82 GLY HA3 H 1 3.690 . . 2 . . . . . . . . 4305 1 848 . 1 1 82 82 GLY H H 1 8.870 . . 1 . . . . . . . . 4305 1 849 . 1 1 82 82 GLY N N 15 115.020 . . 1 . . . . . . . . 4305 1 850 . 1 1 83 83 GLN CA C 13 56.570 . . 1 . . . . . . . . 4305 1 851 . 1 1 83 83 GLN CB C 13 30.100 . . 1 . . . . . . . . 4305 1 852 . 1 1 83 83 GLN HA H 1 4.440 . . 1 . . . . . . . . 4305 1 853 . 1 1 83 83 GLN HB2 H 1 2.460 . . 2 . . . . . . . . 4305 1 854 . 1 1 83 83 GLN HB3 H 1 1.970 . . 2 . . . . . . . . 4305 1 855 . 1 1 83 83 GLN HG2 H 1 2.410 . . 1 . . . . . . . . 4305 1 856 . 1 1 83 83 GLN HG3 H 1 2.410 . . 1 . . . . . . . . 4305 1 857 . 1 1 83 83 GLN H H 1 8.970 . . 1 . . . . . . . . 4305 1 858 . 1 1 83 83 GLN N N 15 125.240 . . 1 . . . . . . . . 4305 1 859 . 1 1 83 83 GLN NE2 N 15 112.280 . . 1 . . . . . . . . 4305 1 860 . 1 1 83 83 GLN HE21 H 1 6.700 . . 1 . . . . . . . . 4305 1 861 . 1 1 83 83 GLN HE22 H 1 7.630 . . 1 . . . . . . . . 4305 1 862 . 1 1 84 84 VAL CA C 13 62.880 . . 1 . . . . . . . . 4305 1 863 . 1 1 84 84 VAL CB C 13 33.730 . . 1 . . . . . . . . 4305 1 864 . 1 1 84 84 VAL CG1 C 13 22.010 . . 1 . . . . . . . . 4305 1 865 . 1 1 84 84 VAL CG2 C 13 21.490 . . 1 . . . . . . . . 4305 1 866 . 1 1 84 84 VAL HA H 1 3.880 . . 1 . . . . . . . . 4305 1 867 . 1 1 84 84 VAL HB H 1 2.150 . . 1 . . . . . . . . 4305 1 868 . 1 1 84 84 VAL HG11 H 1 0.820 . . 1 . . . . . . . . 4305 1 869 . 1 1 84 84 VAL HG12 H 1 0.820 . . 1 . . . . . . . . 4305 1 870 . 1 1 84 84 VAL HG13 H 1 0.820 . . 1 . . . . . . . . 4305 1 871 . 1 1 84 84 VAL HG21 H 1 0.940 . . 1 . . . . . . . . 4305 1 872 . 1 1 84 84 VAL HG22 H 1 0.940 . . 1 . . . . . . . . 4305 1 873 . 1 1 84 84 VAL HG23 H 1 0.940 . . 1 . . . . . . . . 4305 1 874 . 1 1 84 84 VAL H H 1 7.730 . . 1 . . . . . . . . 4305 1 875 . 1 1 84 84 VAL N N 15 119.030 . . 1 . . . . . . . . 4305 1 876 . 1 1 85 85 ALA CA C 13 50.920 . . 1 . . . . . . . . 4305 1 877 . 1 1 85 85 ALA CB C 13 21.180 . . 1 . . . . . . . . 4305 1 878 . 1 1 85 85 ALA HA H 1 4.310 . . 1 . . . . . . . . 4305 1 879 . 1 1 85 85 ALA HB1 H 1 0.750 . . 1 . . . . . . . . 4305 1 880 . 1 1 85 85 ALA HB2 H 1 0.750 . . 1 . . . . . . . . 4305 1 881 . 1 1 85 85 ALA HB3 H 1 0.750 . . 1 . . . . . . . . 4305 1 882 . 1 1 85 85 ALA H H 1 8.380 . . 1 . . . . . . . . 4305 1 883 . 1 1 85 85 ALA N N 15 129.260 . . 1 . . . . . . . . 4305 1 884 . 1 1 86 86 ILE CA C 13 61.000 . . 1 . . . . . . . . 4305 1 885 . 1 1 86 86 ILE CB C 13 40.040 . . 1 . . . . . . . . 4305 1 886 . 1 1 86 86 ILE CD1 C 13 15.420 . . 1 . . . . . . . . 4305 1 887 . 1 1 86 86 ILE CG1 C 13 29.340 . . 1 . . . . . . . . 4305 1 888 . 1 1 86 86 ILE CG2 C 13 20.000 . . 1 . . . . . . . . 4305 1 889 . 1 1 86 86 ILE HA H 1 4.740 . . 1 . . . . . . . . 4305 1 890 . 1 1 86 86 ILE HB H 1 0.220 . . 1 . . . . . . . . 4305 1 891 . 1 1 86 86 ILE HD11 H 1 0.400 . . 1 . . . . . . . . 4305 1 892 . 1 1 86 86 ILE HD12 H 1 0.400 . . 1 . . . . . . . . 4305 1 893 . 1 1 86 86 ILE HD13 H 1 0.400 . . 1 . . . . . . . . 4305 1 894 . 1 1 86 86 ILE HG12 H 1 0.730 . . 2 . . . . . . . . 4305 1 895 . 1 1 86 86 ILE HG13 H 1 1.130 . . 2 . . . . . . . . 4305 1 896 . 1 1 86 86 ILE HG21 H 1 0.380 . . 1 . . . . . . . . 4305 1 897 . 1 1 86 86 ILE HG22 H 1 0.380 . . 1 . . . . . . . . 4305 1 898 . 1 1 86 86 ILE HG23 H 1 0.380 . . 1 . . . . . . . . 4305 1 899 . 1 1 86 86 ILE H H 1 8.860 . . 1 . . . . . . . . 4305 1 900 . 1 1 86 86 ILE N N 15 120.630 . . 1 . . . . . . . . 4305 1 901 . 1 1 87 87 LEU CA C 13 53.810 . . 1 . . . . . . . . 4305 1 902 . 1 1 87 87 LEU CB C 13 46.510 . . 1 . . . . . . . . 4305 1 903 . 1 1 87 87 LEU CD1 C 13 24.980 . . 1 . . . . . . . . 4305 1 904 . 1 1 87 87 LEU CD2 C 13 27.200 . . 1 . . . . . . . . 4305 1 905 . 1 1 87 87 LEU HA H 1 5.340 . . 1 . . . . . . . . 4305 1 906 . 1 1 87 87 LEU HB2 H 1 1.440 . . 2 . . . . . . . . 4305 1 907 . 1 1 87 87 LEU HB3 H 1 2.060 . . 2 . . . . . . . . 4305 1 908 . 1 1 87 87 LEU HD11 H 1 0.800 . . 2 . . . . . . . . 4305 1 909 . 1 1 87 87 LEU HD12 H 1 0.800 . . 2 . . . . . . . . 4305 1 910 . 1 1 87 87 LEU HD13 H 1 0.800 . . 2 . . . . . . . . 4305 1 911 . 1 1 87 87 LEU HD21 H 1 0.850 . . 2 . . . . . . . . 4305 1 912 . 1 1 87 87 LEU HD22 H 1 0.850 . . 2 . . . . . . . . 4305 1 913 . 1 1 87 87 LEU HD23 H 1 0.850 . . 2 . . . . . . . . 4305 1 914 . 1 1 87 87 LEU HG H 1 1.620 . . 1 . . . . . . . . 4305 1 915 . 1 1 87 87 LEU H H 1 9.260 . . 1 . . . . . . . . 4305 1 916 . 1 1 87 87 LEU N N 15 128.520 . . 1 . . . . . . . . 4305 1 917 . 1 1 88 88 LEU CA C 13 54.350 . . 1 . . . . . . . . 4305 1 918 . 1 1 88 88 LEU CB C 13 46.890 . . 1 . . . . . . . . 4305 1 919 . 1 1 88 88 LEU CD1 C 13 23.080 . . 1 . . . . . . . . 4305 1 920 . 1 1 88 88 LEU CD2 C 13 24.360 . . 1 . . . . . . . . 4305 1 921 . 1 1 88 88 LEU CG C 13 27.800 . . 1 . . . . . . . . 4305 1 922 . 1 1 88 88 LEU HA H 1 5.620 . . 1 . . . . . . . . 4305 1 923 . 1 1 88 88 LEU HB2 H 1 1.070 . . 2 . . . . . . . . 4305 1 924 . 1 1 88 88 LEU HB3 H 1 1.900 . . 2 . . . . . . . . 4305 1 925 . 1 1 88 88 LEU HD11 H 1 0.700 . . 1 . . . . . . . . 4305 1 926 . 1 1 88 88 LEU HD12 H 1 0.700 . . 1 . . . . . . . . 4305 1 927 . 1 1 88 88 LEU HD13 H 1 0.700 . . 1 . . . . . . . . 4305 1 928 . 1 1 88 88 LEU HD21 H 1 -0.440 . . 1 . . . . . . . . 4305 1 929 . 1 1 88 88 LEU HD22 H 1 -0.440 . . 1 . . . . . . . . 4305 1 930 . 1 1 88 88 LEU HD23 H 1 -0.440 . . 1 . . . . . . . . 4305 1 931 . 1 1 88 88 LEU HG H 1 1.400 . . 1 . . . . . . . . 4305 1 932 . 1 1 88 88 LEU H H 1 8.840 . . 1 . . . . . . . . 4305 1 933 . 1 1 88 88 LEU N N 15 130.810 . . 1 . . . . . . . . 4305 1 934 . 1 1 89 89 PHE CA C 13 56.560 . . 1 . . . . . . . . 4305 1 935 . 1 1 89 89 PHE CB C 13 42.600 . . 1 . . . . . . . . 4305 1 936 . 1 1 89 89 PHE HA H 1 5.760 . . 1 . . . . . . . . 4305 1 937 . 1 1 89 89 PHE HB2 H 1 3.440 . . 2 . . . . . . . . 4305 1 938 . 1 1 89 89 PHE HB3 H 1 3.350 . . 2 . . . . . . . . 4305 1 939 . 1 1 89 89 PHE HD2 H 1 6.610 . . 1 . . . . . . . . 4305 1 940 . 1 1 89 89 PHE HD1 H 1 6.610 . . 1 . . . . . . . . 4305 1 941 . 1 1 89 89 PHE HE2 H 1 6.990 . . 1 . . . . . . . . 4305 1 942 . 1 1 89 89 PHE HE1 H 1 6.990 . . 1 . . . . . . . . 4305 1 943 . 1 1 89 89 PHE H H 1 8.820 . . 1 . . . . . . . . 4305 1 944 . 1 1 89 89 PHE N N 15 121.100 . . 1 . . . . . . . . 4305 1 945 . 1 1 90 90 LYS CA C 13 54.560 . . 1 . . . . . . . . 4305 1 946 . 1 1 90 90 LYS CB C 13 36.190 . . 1 . . . . . . . . 4305 1 947 . 1 1 90 90 LYS CG C 13 24.400 . . 1 . . . . . . . . 4305 1 948 . 1 1 90 90 LYS HA H 1 4.530 . . 1 . . . . . . . . 4305 1 949 . 1 1 90 90 LYS HB2 H 1 1.160 . . 2 . . . . . . . . 4305 1 950 . 1 1 90 90 LYS HB3 H 1 -0.080 . . 2 . . . . . . . . 4305 1 951 . 1 1 90 90 LYS HD2 H 1 0.690 . . 1 . . . . . . . . 4305 1 952 . 1 1 90 90 LYS HD3 H 1 0.690 . . 1 . . . . . . . . 4305 1 953 . 1 1 90 90 LYS HG2 H 1 0.280 . . 2 . . . . . . . . 4305 1 954 . 1 1 90 90 LYS HG3 H 1 -0.230 . . 2 . . . . . . . . 4305 1 955 . 1 1 90 90 LYS H H 1 7.660 . . 1 . . . . . . . . 4305 1 956 . 1 1 90 90 LYS N N 15 120.790 . . 1 . . . . . . . . 4305 1 957 . 1 1 91 91 SER CA C 13 59.910 . . 1 . . . . . . . . 4305 1 958 . 1 1 91 91 SER CB C 13 64.300 . . 1 . . . . . . . . 4305 1 959 . 1 1 91 91 SER HA H 1 4.650 . . 1 . . . . . . . . 4305 1 960 . 1 1 91 91 SER HB2 H 1 3.810 . . 2 . . . . . . . . 4305 1 961 . 1 1 91 91 SER HB3 H 1 4.180 . . 2 . . . . . . . . 4305 1 962 . 1 1 91 91 SER H H 1 8.960 . . 1 . . . . . . . . 4305 1 963 . 1 1 91 91 SER N N 15 119.200 . . 1 . . . . . . . . 4305 1 964 . 1 1 92 92 GLY CA C 13 46.450 . . 1 . . . . . . . . 4305 1 965 . 1 1 92 92 GLY HA2 H 1 3.830 . . 2 . . . . . . . . 4305 1 966 . 1 1 92 92 GLY HA3 H 1 3.560 . . 2 . . . . . . . . 4305 1 967 . 1 1 92 92 GLY H H 1 8.460 . . 1 . . . . . . . . 4305 1 968 . 1 1 92 92 GLY N N 15 123.430 . . 1 . . . . . . . . 4305 1 stop_ save_