data_6956 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6956 _Entry.Title ; RNA recognition by the Vts1 SAM domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-01-27 _Entry.Accession_date 2006-01-27 _Entry.Last_release_date 2006-04-26 _Entry.Original_release_date 2006-04-26 _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 L. Donaldson . W. . 6956 2 P. Johnson . E. . 6956 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 6956 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 352 6956 '15N chemical shifts' 83 6956 '1H chemical shifts' 613 6956 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 . . 2006-04-26 2006-01-27 original author . 6956 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6956 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16429155 _Citation.Full_citation . _Citation.Title 'RNA recognition by the Vts1p SAM domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 2 _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 177 _Citation.Page_last 178 _Citation.Year 2006 _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 P. Johnson . E. . 6956 1 2 L. Donaldson . W. . 6956 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-helix 6956 1 hairpin 6956 1 pentaloop 6956 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PROTEIN_RNA_Complex _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PROTEIN_RNA_Complex _Assembly.Entry_ID 6956 _Assembly.ID 1 _Assembly.Name 'PROTEIN/RNA Complex' _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 dimeric 6956 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 Vts1p 1 $Vts1p . . . native . . . . . 6956 1 2 5'-R(*GP*GP*AP*GP*GP*CP*UP*CP*UP*GP*GP*CP*AP*GP*CP*UP*UP*UP*C)-3' 2 $RNA . . . native . . . . . 6956 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 2B6G . . . . . . 6956 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PROTEIN/RNA Complex' abbreviation 6956 1 'PROTEIN/RNA Complex' system 6956 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vts1p _Entity.Sf_category entity _Entity.Sf_framecode Vts1p _Entity.Entry_ID 6956 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Vts1p _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 ; GSNVFNNTITHPNAGPTSAT STSTSSNGNTPLSSNSSMNP KSLTDPKLLKNIPMWLKSLR LHKYSDALSGTPWIELIYLD DETLEKKGVLALGARRKLLK AFGIVIDYKERDLIDRSAY ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 BMRB 6922 . "Vts1 (438-523)" . . . . . 72.27 86 100.00 100.00 2.32e-53 . . . . 6956 1 2 no PDB 2B6G . "Rna Recognition By The Vts1 Sam Domain" . . . . . 99.16 119 100.00 100.00 1.34e-77 . . . . 6956 1 3 no PDB 2D3D . "Crystal Structure Of The Rna Binding Sam Domain Of Saccharomyces Cerevisiae Vts1" . . . . . 73.95 88 100.00 100.00 1.67e-54 . . . . 6956 1 4 no PDB 2F8K . "Sequence Specific Recognition Of Rna Hairpins By The Sam Domain Of Vts1" . . . . . 73.95 88 100.00 100.00 1.67e-54 . . . . 6956 1 5 no PDB 2FE9 . "Solution Structure Of The Vts1 Sam Domain In The Presence Of Rna" . . . . . 71.43 86 100.00 100.00 2.33e-52 . . . . 6956 1 6 no DBJ GAA26663 . "K7_Vts1p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 7 no EMBL CAA99688 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 8 no GB AHY77628 . "Vts1p [Saccharomyces cerevisiae YJM993]" . . . . . 98.32 523 99.15 100.00 6.61e-74 . . . . 6956 1 9 no GB EDN63679 . "VTi1-2 suppressor [Saccharomyces cerevisiae YJM789]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 10 no GB EDV10919 . "protein VTS1 [Saccharomyces cerevisiae RM11-1a]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 11 no GB EDZ69055 . "YOR359Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 98.32 425 100.00 100.00 5.64e-75 . . . . 6956 1 12 no GB EEU07517 . "Vts1p [Saccharomyces cerevisiae JAY291]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 13 no REF NP_015004 . "Vts1p [Saccharomyces cerevisiae S288c]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 14 no SP Q08831 . "RecName: Full=Protein VTS1; AltName: Full=VTI1-2 suppressor protein 1 [Saccharomyces cerevisiae S288c]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 15 no TPG DAA11120 . "TPA: Vts1p [Saccharomyces cerevisiae S288c]" . . . . . 98.32 523 100.00 100.00 1.57e-74 . . . . 6956 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Vts1p abbreviation 6956 1 Vts1p common 6956 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 -37 GLY . 6956 1 2 -36 SER . 6956 1 3 -35 ASN . 6956 1 4 -34 VAL . 6956 1 5 -33 PHE . 6956 1 6 -32 ASN . 6956 1 7 -31 ASN . 6956 1 8 -30 THR . 6956 1 9 -29 ILE . 6956 1 10 -28 THR . 6956 1 11 -27 HIS . 6956 1 12 -26 PRO . 6956 1 13 -25 ASN . 6956 1 14 -24 ALA . 6956 1 15 -23 GLY . 6956 1 16 -22 PRO . 6956 1 17 -21 THR . 6956 1 18 -20 SER . 6956 1 19 -19 ALA . 6956 1 20 -18 THR . 6956 1 21 -17 SER . 6956 1 22 -16 THR . 6956 1 23 -15 SER . 6956 1 24 -14 THR . 6956 1 25 -13 SER . 6956 1 26 -12 SER . 6956 1 27 -11 ASN . 6956 1 28 -10 GLY . 6956 1 29 -9 ASN . 6956 1 30 -8 THR . 6956 1 31 -7 PRO . 6956 1 32 -6 LEU . 6956 1 33 -5 SER . 6956 1 34 -4 SER . 6956 1 35 -3 ASN . 6956 1 36 -2 SER . 6956 1 37 -1 SER . 6956 1 38 0 MET . 6956 1 39 1 ASN . 6956 1 40 2 PRO . 6956 1 41 3 LYS . 6956 1 42 4 SER . 6956 1 43 5 LEU . 6956 1 44 6 THR . 6956 1 45 7 ASP . 6956 1 46 8 PRO . 6956 1 47 9 LYS . 6956 1 48 10 LEU . 6956 1 49 11 LEU . 6956 1 50 12 LYS . 6956 1 51 13 ASN . 6956 1 52 14 ILE . 6956 1 53 15 PRO . 6956 1 54 16 MET . 6956 1 55 17 TRP . 6956 1 56 18 LEU . 6956 1 57 19 LYS . 6956 1 58 20 SER . 6956 1 59 21 LEU . 6956 1 60 22 ARG . 6956 1 61 23 LEU . 6956 1 62 24 HIS . 6956 1 63 25 LYS . 6956 1 64 26 TYR . 6956 1 65 27 SER . 6956 1 66 28 ASP . 6956 1 67 29 ALA . 6956 1 68 30 LEU . 6956 1 69 31 SER . 6956 1 70 32 GLY . 6956 1 71 33 THR . 6956 1 72 34 PRO . 6956 1 73 35 TRP . 6956 1 74 36 ILE . 6956 1 75 37 GLU . 6956 1 76 38 LEU . 6956 1 77 39 ILE . 6956 1 78 40 TYR . 6956 1 79 41 LEU . 6956 1 80 42 ASP . 6956 1 81 43 ASP . 6956 1 82 44 GLU . 6956 1 83 45 THR . 6956 1 84 46 LEU . 6956 1 85 47 GLU . 6956 1 86 48 LYS . 6956 1 87 49 LYS . 6956 1 88 50 GLY . 6956 1 89 51 VAL . 6956 1 90 52 LEU . 6956 1 91 53 ALA . 6956 1 92 54 LEU . 6956 1 93 55 GLY . 6956 1 94 56 ALA . 6956 1 95 57 ARG . 6956 1 96 58 ARG . 6956 1 97 59 LYS . 6956 1 98 60 LEU . 6956 1 99 61 LEU . 6956 1 100 62 LYS . 6956 1 101 63 ALA . 6956 1 102 64 PHE . 6956 1 103 65 GLY . 6956 1 104 66 ILE . 6956 1 105 67 VAL . 6956 1 106 68 ILE . 6956 1 107 69 ASP . 6956 1 108 70 TYR . 6956 1 109 71 LYS . 6956 1 110 72 GLU . 6956 1 111 73 ARG . 6956 1 112 74 ASP . 6956 1 113 75 LEU . 6956 1 114 76 ILE . 6956 1 115 77 ASP . 6956 1 116 78 ARG . 6956 1 117 79 SER . 6956 1 118 80 ALA . 6956 1 119 81 TYR . 6956 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 6956 1 . SER 2 2 6956 1 . ASN 3 3 6956 1 . VAL 4 4 6956 1 . PHE 5 5 6956 1 . ASN 6 6 6956 1 . ASN 7 7 6956 1 . THR 8 8 6956 1 . ILE 9 9 6956 1 . THR 10 10 6956 1 . HIS 11 11 6956 1 . PRO 12 12 6956 1 . ASN 13 13 6956 1 . ALA 14 14 6956 1 . GLY 15 15 6956 1 . PRO 16 16 6956 1 . THR 17 17 6956 1 . SER 18 18 6956 1 . ALA 19 19 6956 1 . THR 20 20 6956 1 . SER 21 21 6956 1 . THR 22 22 6956 1 . SER 23 23 6956 1 . THR 24 24 6956 1 . SER 25 25 6956 1 . SER 26 26 6956 1 . ASN 27 27 6956 1 . GLY 28 28 6956 1 . ASN 29 29 6956 1 . THR 30 30 6956 1 . PRO 31 31 6956 1 . LEU 32 32 6956 1 . SER 33 33 6956 1 . SER 34 34 6956 1 . ASN 35 35 6956 1 . SER 36 36 6956 1 . SER 37 37 6956 1 . MET 38 38 6956 1 . ASN 39 39 6956 1 . PRO 40 40 6956 1 . LYS 41 41 6956 1 . SER 42 42 6956 1 . LEU 43 43 6956 1 . THR 44 44 6956 1 . ASP 45 45 6956 1 . PRO 46 46 6956 1 . LYS 47 47 6956 1 . LEU 48 48 6956 1 . LEU 49 49 6956 1 . LYS 50 50 6956 1 . ASN 51 51 6956 1 . ILE 52 52 6956 1 . PRO 53 53 6956 1 . MET 54 54 6956 1 . TRP 55 55 6956 1 . LEU 56 56 6956 1 . LYS 57 57 6956 1 . SER 58 58 6956 1 . LEU 59 59 6956 1 . ARG 60 60 6956 1 . LEU 61 61 6956 1 . HIS 62 62 6956 1 . LYS 63 63 6956 1 . TYR 64 64 6956 1 . SER 65 65 6956 1 . ASP 66 66 6956 1 . ALA 67 67 6956 1 . LEU 68 68 6956 1 . SER 69 69 6956 1 . GLY 70 70 6956 1 . THR 71 71 6956 1 . PRO 72 72 6956 1 . TRP 73 73 6956 1 . ILE 74 74 6956 1 . GLU 75 75 6956 1 . LEU 76 76 6956 1 . ILE 77 77 6956 1 . TYR 78 78 6956 1 . LEU 79 79 6956 1 . ASP 80 80 6956 1 . ASP 81 81 6956 1 . GLU 82 82 6956 1 . THR 83 83 6956 1 . LEU 84 84 6956 1 . GLU 85 85 6956 1 . LYS 86 86 6956 1 . LYS 87 87 6956 1 . GLY 88 88 6956 1 . VAL 89 89 6956 1 . LEU 90 90 6956 1 . ALA 91 91 6956 1 . LEU 92 92 6956 1 . GLY 93 93 6956 1 . ALA 94 94 6956 1 . ARG 95 95 6956 1 . ARG 96 96 6956 1 . LYS 97 97 6956 1 . LEU 98 98 6956 1 . LEU 99 99 6956 1 . LYS 100 100 6956 1 . ALA 101 101 6956 1 . PHE 102 102 6956 1 . GLY 103 103 6956 1 . ILE 104 104 6956 1 . VAL 105 105 6956 1 . ILE 106 106 6956 1 . ASP 107 107 6956 1 . TYR 108 108 6956 1 . LYS 109 109 6956 1 . GLU 110 110 6956 1 . ARG 111 111 6956 1 . ASP 112 112 6956 1 . LEU 113 113 6956 1 . ILE 114 114 6956 1 . ASP 115 115 6956 1 . ARG 116 116 6956 1 . SER 117 117 6956 1 . ALA 118 118 6956 1 . TYR 119 119 6956 1 stop_ save_ save_RNA _Entity.Sf_category entity _Entity.Sf_framecode RNA _Entity.Entry_ID 6956 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name RNA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polyribonucleotide _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code GGAGGCUCUGGCAGCUUUC _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 19 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 2 _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID RNA abbreviation 6956 2 RNA common 6956 2 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 . G . 6956 2 2 . G . 6956 2 3 . A . 6956 2 4 . G . 6956 2 5 . G . 6956 2 6 . C . 6956 2 7 . U . 6956 2 8 . C . 6956 2 9 . U . 6956 2 10 . G . 6956 2 11 . G . 6956 2 12 . C . 6956 2 13 . A . 6956 2 14 . G . 6956 2 15 . C . 6956 2 16 . U . 6956 2 17 . U . 6956 2 18 . U . 6956 2 19 . C . 6956 2 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 . G 1 1 6956 2 . G 2 2 6956 2 . A 3 3 6956 2 . G 4 4 6956 2 . G 5 5 6956 2 . C 6 6 6956 2 . U 7 7 6956 2 . C 8 8 6956 2 . U 9 9 6956 2 . G 10 10 6956 2 . G 11 11 6956 2 . C 12 12 6956 2 . A 13 13 6956 2 . G 14 14 6956 2 . C 15 15 6956 2 . U 16 16 6956 2 . U 17 17 6956 2 . U 18 18 6956 2 . C 19 19 6956 2 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 6956 _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 $Vts1p . 4932 organism . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . Vts1 . . 6956 1 2 2 $RNA . 7227 organism . 'Drosophila melanogaster' 'fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . . . ; Drosophila melanogaster sequence from nanos RNA termed the Smaug Recognition Element. ; . . 6956 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 6956 _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 $Vts1p . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6956 1 2 2 $RNA . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'RNA was produced by T7 polymerase based in vitro transcription.' . . 6956 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6956 _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 Vts1p '[U-15N; U-13C]' . . 1 $Vts1p . . . 0.2 0.8 mM . . . . 6956 1 2 RNA . . . 2 $RNA . . . 0.2 0.8 mM . . . . 6956 1 3 'sodium phosphate buffer' . . . . . . . 20 . . mM . . . . 6956 1 4 'sodium chloride' . . . . . . . 150 . . mM . . . . 6956 1 5 'sodium azide' . . . . . . . 0.02 . . % . . . . 6956 1 6 H2O . . . . . . . 90 . . % . . . . 6956 1 7 D2O . . . . . . . 10 . . % . . . . 6956 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 6956 _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' 150 . mM 6956 1 pH 7.8 . pH 6956 1 pressure 1 . atm 6956 1 temperature 293 . K 6956 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 6956 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details Guentert loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6956 1 stop_ save_ save_XPLOR-NIH _Software.Sf_category software _Software.Sf_framecode XPLOR-NIH _Software.Entry_ID 6956 _Software.ID 2 _Software.Name 'X-PLOR NIH' _Software.Version 2.11.0 _Software.Details Schweiters loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 6956 2 'structure solution' 6956 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6956 _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 6956 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 500 . . . 6956 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 6956 _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' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6956 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6956 1 3 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6956 1 4 '2D 12C-filtered 13C-edited NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6956 1 stop_ 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 6956 _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 . . . . . . . 1 $entry_citation . . 1 $entry_citation 6956 1 H 1 DSS 'methyl protons' . . . . ppm . . . 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6956 1 N 15 DSS 'methyl protons' . . . . ppm . . . . . . . 1 $entry_citation . . 1 $entry_citation 6956 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 6956 _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 . 6956 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 39 39 ASN HB3 H 1 1.880 . . 2 . . . . 1 . . . 6956 1 2 . 1 1 40 40 PRO HA H 1 4.780 . . 1 . . . . 2 . . . 6956 1 3 . 1 1 40 40 PRO HB2 H 1 1.500 . . 2 . . . . 2 . . . 6956 1 4 . 1 1 40 40 PRO HB3 H 1 1.580 . . 2 . . . . 2 . . . 6956 1 5 . 1 1 40 40 PRO HG2 H 1 1.900 . . 1 . . . . 2 . . . 6956 1 6 . 1 1 40 40 PRO HG3 H 1 1.900 . . 1 . . . . 2 . . . 6956 1 7 . 1 1 40 40 PRO HD2 H 1 3.800 . . 1 . . . . 2 . . . 6956 1 8 . 1 1 40 40 PRO HD3 H 1 3.800 . . 1 . . . . 2 . . . 6956 1 9 . 1 1 40 40 PRO C C 13 175.038 . . 1 . . . . 2 . . . 6956 1 10 . 1 1 40 40 PRO CA C 13 65.490 . . 1 . . . . 2 . . . 6956 1 11 . 1 1 40 40 PRO CB C 13 32.004 . . 1 . . . . 2 . . . 6956 1 12 . 1 1 40 40 PRO CG C 13 27.648 . . 1 . . . . 2 . . . 6956 1 13 . 1 1 40 40 PRO CD C 13 51.054 . . 1 . . . . 2 . . . 6956 1 14 . 1 1 41 41 LYS H H 1 8.198 . . 1 . . . . 3 . . . 6956 1 15 . 1 1 41 41 LYS HA H 1 3.804 . . 1 . . . . 3 . . . 6956 1 16 . 1 1 41 41 LYS HB2 H 1 1.790 . . 1 . . . . 3 . . . 6956 1 17 . 1 1 41 41 LYS HB3 H 1 1.790 . . 1 . . . . 3 . . . 6956 1 18 . 1 1 41 41 LYS HG2 H 1 1.510 . . 2 . . . . 3 . . . 6956 1 19 . 1 1 41 41 LYS HG3 H 1 1.428 . . 2 . . . . 3 . . . 6956 1 20 . 1 1 41 41 LYS HD3 H 1 1.694 . . 2 . . . . 3 . . . 6956 1 21 . 1 1 41 41 LYS HE2 H 1 3.025 . . 2 . . . . 3 . . . 6956 1 22 . 1 1 41 41 LYS C C 13 175.193 . . 1 . . . . 3 . . . 6956 1 23 . 1 1 41 41 LYS CA C 13 58.864 . . 1 . . . . 3 . . . 6956 1 24 . 1 1 41 41 LYS CB C 13 31.969 . . 1 . . . . 3 . . . 6956 1 25 . 1 1 41 41 LYS CG C 13 25.127 . . 1 . . . . 3 . . . 6956 1 26 . 1 1 41 41 LYS CD C 13 28.898 . . 1 . . . . 3 . . . 6956 1 27 . 1 1 41 41 LYS CE C 13 42.072 . . 1 . . . . 3 . . . 6956 1 28 . 1 1 41 41 LYS N N 15 116.974 . . 1 . . . . 3 . . . 6956 1 29 . 1 1 42 42 SER H H 1 7.295 . . 1 . . . . 4 . . . 6956 1 30 . 1 1 42 42 SER HA H 1 4.399 . . 1 . . . . 4 . . . 6956 1 31 . 1 1 42 42 SER HB2 H 1 3.889 . . 2 . . . . 4 . . . 6956 1 32 . 1 1 42 42 SER HB3 H 1 3.786 . . 2 . . . . 4 . . . 6956 1 33 . 1 1 42 42 SER C C 13 173.145 . . 1 . . . . 4 . . . 6956 1 34 . 1 1 42 42 SER CA C 13 60.252 . . 1 . . . . 4 . . . 6956 1 35 . 1 1 42 42 SER CB C 13 62.857 . . 1 . . . . 4 . . . 6956 1 36 . 1 1 42 42 SER N N 15 113.305 . . 1 . . . . 4 . . . 6956 1 37 . 1 1 43 43 LEU H H 1 7.632 . . 1 . . . . 5 . . . 6956 1 38 . 1 1 43 43 LEU HA H 1 3.991 . . 1 . . . . 5 . . . 6956 1 39 . 1 1 43 43 LEU HB2 H 1 1.360 . . 2 . . . . 5 . . . 6956 1 40 . 1 1 43 43 LEU HB3 H 1 1.563 . . 2 . . . . 5 . . . 6956 1 41 . 1 1 43 43 LEU HD11 H 1 0.804 . . 2 . . . . 5 . . . 6956 1 42 . 1 1 43 43 LEU HD12 H 1 0.804 . . 2 . . . . 5 . . . 6956 1 43 . 1 1 43 43 LEU HD13 H 1 0.804 . . 2 . . . . 5 . . . 6956 1 44 . 1 1 43 43 LEU HD21 H 1 0.595 . . 2 . . . . 5 . . . 6956 1 45 . 1 1 43 43 LEU HD22 H 1 0.595 . . 2 . . . . 5 . . . 6956 1 46 . 1 1 43 43 LEU HD23 H 1 0.595 . . 2 . . . . 5 . . . 6956 1 47 . 1 1 43 43 LEU C C 13 174.787 . . 1 . . . . 5 . . . 6956 1 48 . 1 1 43 43 LEU CA C 13 56.612 . . 1 . . . . 5 . . . 6956 1 49 . 1 1 43 43 LEU CB C 13 44.149 . . 1 . . . . 5 . . . 6956 1 50 . 1 1 43 43 LEU CD1 C 13 26.980 . . 1 . . . . 5 . . . 6956 1 51 . 1 1 43 43 LEU CD2 C 13 23.960 . . 1 . . . . 5 . . . 6956 1 52 . 1 1 43 43 LEU N N 15 115.922 . . 1 . . . . 5 . . . 6956 1 53 . 1 1 44 44 THR H H 1 7.019 . . 1 . . . . 6 . . . 6956 1 54 . 1 1 44 44 THR HA H 1 4.165 . . 1 . . . . 6 . . . 6956 1 55 . 1 1 44 44 THR HB H 1 4.410 . . 1 . . . . 6 . . . 6956 1 56 . 1 1 44 44 THR HG21 H 1 0.873 . . 1 . . . . 6 . . . 6956 1 57 . 1 1 44 44 THR HG22 H 1 0.873 . . 1 . . . . 6 . . . 6956 1 58 . 1 1 44 44 THR HG23 H 1 0.873 . . 1 . . . . 6 . . . 6956 1 59 . 1 1 44 44 THR CA C 13 59.588 . . 1 . . . . 6 . . . 6956 1 60 . 1 1 44 44 THR CB C 13 68.604 . . 1 . . . . 6 . . . 6956 1 61 . 1 1 44 44 THR CG2 C 13 21.063 . . 1 . . . . 6 . . . 6956 1 62 . 1 1 44 44 THR N N 15 129.353 . . 1 . . . . 6 . . . 6956 1 63 . 1 1 45 45 ASP H H 1 7.007 . . 1 . . . . 7 . . . 6956 1 64 . 1 1 45 45 ASP HA H 1 4.639 . . 1 . . . . 7 . . . 6956 1 65 . 1 1 45 45 ASP HB2 H 1 2.866 . . 2 . . . . 7 . . . 6956 1 66 . 1 1 45 45 ASP HB3 H 1 2.964 . . 2 . . . . 7 . . . 6956 1 67 . 1 1 45 45 ASP CA C 13 52.481 . . 1 . . . . 7 . . . 6956 1 68 . 1 1 45 45 ASP CB C 13 42.440 . . 1 . . . . 7 . . . 6956 1 69 . 1 1 45 45 ASP N N 15 125.149 . . 1 . . . . 7 . . . 6956 1 70 . 1 1 46 46 PRO HA H 1 3.752 . . 1 . . . . 8 . . . 6956 1 71 . 1 1 46 46 PRO HB2 H 1 2.000 . . 1 . . . . 8 . . . 6956 1 72 . 1 1 46 46 PRO HB3 H 1 2.000 . . 1 . . . . 8 . . . 6956 1 73 . 1 1 46 46 PRO HG2 H 1 2.115 . . 2 . . . . 8 . . . 6956 1 74 . 1 1 46 46 PRO HG3 H 1 1.906 . . 2 . . . . 8 . . . 6956 1 75 . 1 1 46 46 PRO HD2 H 1 3.990 . . 2 . . . . 8 . . . 6956 1 76 . 1 1 46 46 PRO HD3 H 1 3.816 . . 2 . . . . 8 . . . 6956 1 77 . 1 1 46 46 PRO C C 13 174.743 . . 1 . . . . 8 . . . 6956 1 78 . 1 1 46 46 PRO CA C 13 65.345 . . 1 . . . . 8 . . . 6956 1 79 . 1 1 46 46 PRO CB C 13 32.652 . . 1 . . . . 8 . . . 6956 1 80 . 1 1 46 46 PRO CG C 13 28.280 . . 1 . . . . 8 . . . 6956 1 81 . 1 1 46 46 PRO CD C 13 50.959 . . 1 . . . . 8 . . . 6956 1 82 . 1 1 47 47 LYS H H 1 8.144 . . 1 . . . . 9 . . . 6956 1 83 . 1 1 47 47 LYS HA H 1 3.959 . . 1 . . . . 9 . . . 6956 1 84 . 1 1 47 47 LYS HB2 H 1 1.715 . . 1 . . . . 9 . . . 6956 1 85 . 1 1 47 47 LYS HB3 H 1 1.715 . . 1 . . . . 9 . . . 6956 1 86 . 1 1 47 47 LYS HG2 H 1 1.431 . . 1 . . . . 9 . . . 6956 1 87 . 1 1 47 47 LYS HG3 H 1 1.431 . . 1 . . . . 9 . . . 6956 1 88 . 1 1 47 47 LYS HD2 H 1 1.000 . . 2 . . . . 9 . . . 6956 1 89 . 1 1 47 47 LYS HD3 H 1 1.800 . . 2 . . . . 9 . . . 6956 1 90 . 1 1 47 47 LYS HE2 H 1 2.994 . . 1 . . . . 9 . . . 6956 1 91 . 1 1 47 47 LYS HE3 H 1 2.994 . . 1 . . . . 9 . . . 6956 1 92 . 1 1 47 47 LYS C C 13 176.208 . . 1 . . . . 9 . . . 6956 1 93 . 1 1 47 47 LYS CA C 13 58.675 . . 1 . . . . 9 . . . 6956 1 94 . 1 1 47 47 LYS CB C 13 32.049 . . 1 . . . . 9 . . . 6956 1 95 . 1 1 47 47 LYS CG C 13 25.102 . . 1 . . . . 9 . . . 6956 1 96 . 1 1 47 47 LYS CD C 13 29.154 . . 1 . . . . 9 . . . 6956 1 97 . 1 1 47 47 LYS CE C 13 42.082 . . 1 . . . . 9 . . . 6956 1 98 . 1 1 47 47 LYS N N 15 114.734 . . 1 . . . . 9 . . . 6956 1 99 . 1 1 48 48 LEU H H 1 7.436 . . 1 . . . . 10 . . . 6956 1 100 . 1 1 48 48 LEU HA H 1 4.345 . . 1 . . . . 10 . . . 6956 1 101 . 1 1 48 48 LEU HB2 H 1 1.558 . . 1 . . . . 10 . . . 6956 1 102 . 1 1 48 48 LEU HB3 H 1 1.558 . . 1 . . . . 10 . . . 6956 1 103 . 1 1 48 48 LEU HG H 1 1.653 . . 1 . . . . 10 . . . 6956 1 104 . 1 1 48 48 LEU HD11 H 1 0.747 . . 2 . . . . 10 . . . 6956 1 105 . 1 1 48 48 LEU HD12 H 1 0.747 . . 2 . . . . 10 . . . 6956 1 106 . 1 1 48 48 LEU HD13 H 1 0.747 . . 2 . . . . 10 . . . 6956 1 107 . 1 1 48 48 LEU HD21 H 1 1.000 . . 2 . . . . 10 . . . 6956 1 108 . 1 1 48 48 LEU HD22 H 1 1.000 . . 2 . . . . 10 . . . 6956 1 109 . 1 1 48 48 LEU HD23 H 1 1.000 . . 2 . . . . 10 . . . 6956 1 110 . 1 1 48 48 LEU C C 13 175.883 . . 1 . . . . 10 . . . 6956 1 111 . 1 1 48 48 LEU CA C 13 57.500 . . 1 . . . . 10 . . . 6956 1 112 . 1 1 48 48 LEU CB C 13 42.082 . . 1 . . . . 10 . . . 6956 1 113 . 1 1 48 48 LEU CG C 13 27.225 . . 1 . . . . 10 . . . 6956 1 114 . 1 1 48 48 LEU CD1 C 13 23.559 . . 1 . . . . 10 . . . 6956 1 115 . 1 1 48 48 LEU CD2 C 13 25.102 . . 1 . . . . 10 . . . 6956 1 116 . 1 1 48 48 LEU N N 15 117.700 . . 1 . . . . 10 . . . 6956 1 117 . 1 1 49 49 LEU H H 1 8.252 . . 1 . . . . 11 . . . 6956 1 118 . 1 1 49 49 LEU HA H 1 3.380 . . 1 . . . . 11 . . . 6956 1 119 . 1 1 49 49 LEU HB3 H 1 0.789 . . 2 . . . . 11 . . . 6956 1 120 . 1 1 49 49 LEU HD11 H 1 -0.674 . . 2 . . . . 11 . . . 6956 1 121 . 1 1 49 49 LEU HD12 H 1 -0.674 . . 2 . . . . 11 . . . 6956 1 122 . 1 1 49 49 LEU HD13 H 1 -0.674 . . 2 . . . . 11 . . . 6956 1 123 . 1 1 49 49 LEU HD21 H 1 -0.010 . . 4 . . . . 11 . . . 6956 1 124 . 1 1 49 49 LEU HD22 H 1 -0.010 . . 4 . . . . 11 . . . 6956 1 125 . 1 1 49 49 LEU HD23 H 1 -0.010 . . 4 . . . . 11 . . . 6956 1 126 . 1 1 49 49 LEU C C 13 175.016 . . 1 . . . . 11 . . . 6956 1 127 . 1 1 49 49 LEU CA C 13 57.520 . . 1 . . . . 11 . . . 6956 1 128 . 1 1 49 49 LEU CB C 13 39.760 . . 1 . . . . 11 . . . 6956 1 129 . 1 1 49 49 LEU CD1 C 13 25.184 . . 1 . . . . 11 . . . 6956 1 130 . 1 1 49 49 LEU CD2 C 13 20.410 . . 1 . . . . 11 . . . 6956 1 131 . 1 1 49 49 LEU N N 15 118.938 . . 1 . . . . 11 . . . 6956 1 132 . 1 1 50 50 LYS H H 1 7.007 . . 1 . . . . 12 . . . 6956 1 133 . 1 1 50 50 LYS HA H 1 4.450 . . 1 . . . . 12 . . . 6956 1 134 . 1 1 50 50 LYS HB2 H 1 2.384 . . 2 . . . . 12 . . . 6956 1 135 . 1 1 50 50 LYS HB3 H 1 1.831 . . 2 . . . . 12 . . . 6956 1 136 . 1 1 50 50 LYS HG2 H 1 1.797 . . 2 . . . . 12 . . . 6956 1 137 . 1 1 50 50 LYS HG3 H 1 1.543 . . 2 . . . . 12 . . . 6956 1 138 . 1 1 50 50 LYS HE3 H 1 3.034 . . 2 . . . . 12 . . . 6956 1 139 . 1 1 50 50 LYS C C 13 170.640 . . 1 . . . . 12 . . . 6956 1 140 . 1 1 50 50 LYS CA C 13 57.212 . . 1 . . . . 12 . . . 6956 1 141 . 1 1 50 50 LYS CB C 13 32.550 . . 1 . . . . 12 . . . 6956 1 142 . 1 1 50 50 LYS CG C 13 25.972 . . 1 . . . . 12 . . . 6956 1 143 . 1 1 50 50 LYS CD C 13 28.992 . . 1 . . . . 12 . . . 6956 1 144 . 1 1 50 50 LYS CE C 13 42.151 . . 1 . . . . 12 . . . 6956 1 145 . 1 1 50 50 LYS N N 15 110.317 . . 1 . . . . 12 . . . 6956 1 146 . 1 1 51 51 ASN H H 1 7.733 . . 1 . . . . 13 . . . 6956 1 147 . 1 1 51 51 ASN HA H 1 5.000 . . 1 . . . . 13 . . . 6956 1 148 . 1 1 51 51 ASN HB2 H 1 2.589 . . 2 . . . . 13 . . . 6956 1 149 . 1 1 51 51 ASN HB3 H 1 3.213 . . 2 . . . . 13 . . . 6956 1 150 . 1 1 51 51 ASN HD21 H 1 7.790 . . 2 . . . . 13 . . . 6956 1 151 . 1 1 51 51 ASN HD22 H 1 6.860 . . 2 . . . . 13 . . . 6956 1 152 . 1 1 51 51 ASN C C 13 170.647 . . 1 . . . . 13 . . . 6956 1 153 . 1 1 51 51 ASN CA C 13 51.123 . . 1 . . . . 13 . . . 6956 1 154 . 1 1 51 51 ASN CB C 13 38.336 . . 1 . . . . 13 . . . 6956 1 155 . 1 1 51 51 ASN N N 15 121.956 . . 1 . . . . 13 . . . 6956 1 156 . 1 1 51 51 ASN ND2 N 15 111.700 . . 1 . . . . 13 . . . 6956 1 157 . 1 1 52 52 ILE H H 1 8.990 . . 1 . . . . 14 . . . 6956 1 158 . 1 1 52 52 ILE HA H 1 4.380 . . 1 . . . . 14 . . . 6956 1 159 . 1 1 52 52 ILE HB H 1 2.391 . . 1 . . . . 14 . . . 6956 1 160 . 1 1 52 52 ILE HG12 H 1 0.590 . . 1 . . . . 14 . . . 6956 1 161 . 1 1 52 52 ILE HG13 H 1 1.794 . . 1 . . . . 14 . . . 6956 1 162 . 1 1 52 52 ILE HG21 H 1 0.950 . . 1 . . . . 14 . . . 6956 1 163 . 1 1 52 52 ILE HG22 H 1 0.950 . . 1 . . . . 14 . . . 6956 1 164 . 1 1 52 52 ILE HG23 H 1 0.950 . . 1 . . . . 14 . . . 6956 1 165 . 1 1 52 52 ILE HD11 H 1 0.440 . . 1 . . . . 14 . . . 6956 1 166 . 1 1 52 52 ILE HD12 H 1 0.440 . . 1 . . . . 14 . . . 6956 1 167 . 1 1 52 52 ILE HD13 H 1 0.440 . . 1 . . . . 14 . . . 6956 1 168 . 1 1 52 52 ILE CA C 13 62.522 . . 1 . . . . 14 . . . 6956 1 169 . 1 1 52 52 ILE CB C 13 33.236 . . 1 . . . . 14 . . . 6956 1 170 . 1 1 52 52 ILE CG2 C 13 17.797 . . 1 . . . . 14 . . . 6956 1 171 . 1 1 52 52 ILE CD1 C 13 7.850 . . 1 . . . . 14 . . . 6956 1 172 . 1 1 52 52 ILE N N 15 123.452 . . 1 . . . . 14 . . . 6956 1 173 . 1 1 53 53 PRO HA H 1 4.415 . . 1 . . . . 15 . . . 6956 1 174 . 1 1 53 53 PRO HB2 H 1 1.870 . . 1 . . . . 15 . . . 6956 1 175 . 1 1 53 53 PRO HB3 H 1 1.870 . . 1 . . . . 15 . . . 6956 1 176 . 1 1 53 53 PRO HG2 H 1 2.270 . . 1 . . . . 15 . . . 6956 1 177 . 1 1 53 53 PRO HG3 H 1 2.270 . . 1 . . . . 15 . . . 6956 1 178 . 1 1 53 53 PRO HD2 H 1 4.056 . . 2 . . . . 15 . . . 6956 1 179 . 1 1 53 53 PRO HD3 H 1 3.771 . . 2 . . . . 15 . . . 6956 1 180 . 1 1 53 53 PRO CA C 13 60.243 . . 1 . . . . 15 . . . 6956 1 181 . 1 1 53 53 PRO CB C 13 31.648 . . 1 . . . . 15 . . . 6956 1 182 . 1 1 53 53 PRO CG C 13 29.078 . . 1 . . . . 15 . . . 6956 1 183 . 1 1 53 53 PRO CD C 13 49.848 . . 1 . . . . 15 . . . 6956 1 184 . 1 1 54 54 MET H H 1 7.635 . . 1 . . . . 16 . . . 6956 1 185 . 1 1 54 54 MET HA H 1 4.521 . . 1 . . . . 16 . . . 6956 1 186 . 1 1 54 54 MET HB2 H 1 2.050 . . 2 . . . . 16 . . . 6956 1 187 . 1 1 54 54 MET HB3 H 1 2.230 . . 2 . . . . 16 . . . 6956 1 188 . 1 1 54 54 MET HE1 H 1 2.040 . . 1 . . . . 16 . . . 6956 1 189 . 1 1 54 54 MET HE2 H 1 2.040 . . 1 . . . . 16 . . . 6956 1 190 . 1 1 54 54 MET HE3 H 1 2.040 . . 1 . . . . 16 . . . 6956 1 191 . 1 1 54 54 MET C C 13 176.471 . . 1 . . . . 16 . . . 6956 1 192 . 1 1 54 54 MET CA C 13 57.210 . . 1 . . . . 16 . . . 6956 1 193 . 1 1 54 54 MET CB C 13 32.450 . . 1 . . . . 16 . . . 6956 1 194 . 1 1 54 54 MET CE C 13 16.750 . . 1 . . . . 16 . . . 6956 1 195 . 1 1 54 54 MET N N 15 116.445 . . 1 . . . . 16 . . . 6956 1 196 . 1 1 55 55 TRP H H 1 8.882 . . 1 . . . . 17 . . . 6956 1 197 . 1 1 55 55 TRP HA H 1 3.890 . . 1 . . . . 17 . . . 6956 1 198 . 1 1 55 55 TRP HB2 H 1 3.590 . . 2 . . . . 17 . . . 6956 1 199 . 1 1 55 55 TRP HB3 H 1 3.700 . . 2 . . . . 17 . . . 6956 1 200 . 1 1 55 55 TRP HD1 H 1 6.730 . . 1 . . . . 17 . . . 6956 1 201 . 1 1 55 55 TRP HE1 H 1 10.640 . . 3 . . . . 17 . . . 6956 1 202 . 1 1 55 55 TRP HE3 H 1 6.720 . . 3 . . . . 17 . . . 6956 1 203 . 1 1 55 55 TRP HZ2 H 1 7.050 . . 3 . . . . 17 . . . 6956 1 204 . 1 1 55 55 TRP HZ3 H 1 6.710 . . 3 . . . . 17 . . . 6956 1 205 . 1 1 55 55 TRP HH2 H 1 7.000 . . 1 . . . . 17 . . . 6956 1 206 . 1 1 55 55 TRP C C 13 177.410 . . 1 . . . . 17 . . . 6956 1 207 . 1 1 55 55 TRP CA C 13 63.358 . . 1 . . . . 17 . . . 6956 1 208 . 1 1 55 55 TRP CB C 13 28.931 . . 1 . . . . 17 . . . 6956 1 209 . 1 1 55 55 TRP CD1 C 13 128.000 . . 3 . . . . 17 . . . 6956 1 210 . 1 1 55 55 TRP CE3 C 13 119.835 . . 3 . . . . 17 . . . 6956 1 211 . 1 1 55 55 TRP CZ2 C 13 114.110 . . 3 . . . . 17 . . . 6956 1 212 . 1 1 55 55 TRP CZ3 C 13 121.098 . . 3 . . . . 17 . . . 6956 1 213 . 1 1 55 55 TRP CH2 C 13 124.550 . . 1 . . . . 17 . . . 6956 1 214 . 1 1 55 55 TRP N N 15 128.134 . . 1 . . . . 17 . . . 6956 1 215 . 1 1 55 55 TRP NE1 N 15 131.020 . . 1 . . . . 17 . . . 6956 1 216 . 1 1 56 56 LEU H H 1 9.677 . . 1 . . . . 18 . . . 6956 1 217 . 1 1 56 56 LEU HA H 1 3.910 . . 1 . . . . 18 . . . 6956 1 218 . 1 1 56 56 LEU HB2 H 1 1.037 . . 2 . . . . 18 . . . 6956 1 219 . 1 1 56 56 LEU HB3 H 1 2.080 . . 2 . . . . 18 . . . 6956 1 220 . 1 1 56 56 LEU HD11 H 1 1.060 . . 2 . . . . 18 . . . 6956 1 221 . 1 1 56 56 LEU HD12 H 1 1.060 . . 2 . . . . 18 . . . 6956 1 222 . 1 1 56 56 LEU HD13 H 1 1.060 . . 2 . . . . 18 . . . 6956 1 223 . 1 1 56 56 LEU HD21 H 1 0.920 . . 2 . . . . 18 . . . 6956 1 224 . 1 1 56 56 LEU HD22 H 1 0.920 . . 2 . . . . 18 . . . 6956 1 225 . 1 1 56 56 LEU HD23 H 1 0.920 . . 2 . . . . 18 . . . 6956 1 226 . 1 1 56 56 LEU C C 13 178.118 . . 1 . . . . 18 . . . 6956 1 227 . 1 1 56 56 LEU CA C 13 57.773 . . 1 . . . . 18 . . . 6956 1 228 . 1 1 56 56 LEU CB C 13 41.028 . . 1 . . . . 18 . . . 6956 1 229 . 1 1 56 56 LEU CD1 C 13 23.170 . . 1 . . . . 18 . . . 6956 1 230 . 1 1 56 56 LEU CD2 C 13 27.218 . . 1 . . . . 18 . . . 6956 1 231 . 1 1 56 56 LEU N N 15 117.499 . . 1 . . . . 18 . . . 6956 1 232 . 1 1 57 57 LYS H H 1 8.314 . . 1 . . . . 19 . . . 6956 1 233 . 1 1 57 57 LYS HA H 1 4.400 . . 1 . . . . 19 . . . 6956 1 234 . 1 1 57 57 LYS HG2 H 1 1.400 . . 2 . . . . 19 . . . 6956 1 235 . 1 1 57 57 LYS HG3 H 1 1.950 . . 2 . . . . 19 . . . 6956 1 236 . 1 1 57 57 LYS HD2 H 1 1.100 . . 1 . . . . 19 . . . 6956 1 237 . 1 1 57 57 LYS HD3 H 1 1.100 . . 1 . . . . 19 . . . 6956 1 238 . 1 1 57 57 LYS HE2 H 1 2.640 . . 1 . . . . 19 . . . 6956 1 239 . 1 1 57 57 LYS HE3 H 1 2.640 . . 1 . . . . 19 . . . 6956 1 240 . 1 1 57 57 LYS C C 13 177.337 . . 1 . . . . 19 . . . 6956 1 241 . 1 1 57 57 LYS CA C 13 59.370 . . 1 . . . . 19 . . . 6956 1 242 . 1 1 57 57 LYS CB C 13 32.422 . . 1 . . . . 19 . . . 6956 1 243 . 1 1 57 57 LYS CG C 13 25.545 . . 1 . . . . 19 . . . 6956 1 244 . 1 1 57 57 LYS CD C 13 29.267 . . 1 . . . . 19 . . . 6956 1 245 . 1 1 57 57 LYS CE C 13 42.193 . . 1 . . . . 19 . . . 6956 1 246 . 1 1 57 57 LYS N N 15 122.544 . . 1 . . . . 19 . . . 6956 1 247 . 1 1 58 58 SER H H 1 8.047 . . 1 . . . . 20 . . . 6956 1 248 . 1 1 58 58 SER HA H 1 4.176 . . 1 . . . . 20 . . . 6956 1 249 . 1 1 58 58 SER HB2 H 1 3.850 . . 1 . . . . 20 . . . 6956 1 250 . 1 1 58 58 SER HB3 H 1 3.850 . . 1 . . . . 20 . . . 6956 1 251 . 1 1 58 58 SER C C 13 171.873 . . 1 . . . . 20 . . . 6956 1 252 . 1 1 58 58 SER CA C 13 61.987 . . 1 . . . . 20 . . . 6956 1 253 . 1 1 58 58 SER CB C 13 63.358 . . 1 . . . . 20 . . . 6956 1 254 . 1 1 58 58 SER N N 15 118.123 . . 1 . . . . 20 . . . 6956 1 255 . 1 1 59 59 LEU H H 1 6.695 . . 1 . . . . 21 . . . 6956 1 256 . 1 1 59 59 LEU HA H 1 4.231 . . 1 . . . . 21 . . . 6956 1 257 . 1 1 59 59 LEU HB2 H 1 1.387 . . 2 . . . . 21 . . . 6956 1 258 . 1 1 59 59 LEU HB3 H 1 1.220 . . 2 . . . . 21 . . . 6956 1 259 . 1 1 59 59 LEU HD11 H 1 -0.279 . . 2 . . . . 21 . . . 6956 1 260 . 1 1 59 59 LEU HD12 H 1 -0.279 . . 2 . . . . 21 . . . 6956 1 261 . 1 1 59 59 LEU HD13 H 1 -0.279 . . 2 . . . . 21 . . . 6956 1 262 . 1 1 59 59 LEU HD21 H 1 0.444 . . 2 . . . . 21 . . . 6956 1 263 . 1 1 59 59 LEU HD22 H 1 0.444 . . 2 . . . . 21 . . . 6956 1 264 . 1 1 59 59 LEU HD23 H 1 0.444 . . 2 . . . . 21 . . . 6956 1 265 . 1 1 59 59 LEU C C 13 172.515 . . 1 . . . . 21 . . . 6956 1 266 . 1 1 59 59 LEU CA C 13 54.169 . . 1 . . . . 21 . . . 6956 1 267 . 1 1 59 59 LEU CB C 13 44.300 . . 1 . . . . 21 . . . 6956 1 268 . 1 1 59 59 LEU CD1 C 13 24.910 . . 2 . . . . 21 . . . 6956 1 269 . 1 1 59 59 LEU CD2 C 13 23.505 . . 2 . . . . 21 . . . 6956 1 270 . 1 1 59 59 LEU N N 15 119.604 . . 1 . . . . 21 . . . 6956 1 271 . 1 1 60 60 ARG H H 1 8.340 . . 1 . . . . 22 . . . 6956 1 272 . 1 1 60 60 ARG HA H 1 4.398 . . 1 . . . . 22 . . . 6956 1 273 . 1 1 60 60 ARG HB2 H 1 1.730 . . 2 . . . . 22 . . . 6956 1 274 . 1 1 60 60 ARG HB3 H 1 1.660 . . 2 . . . . 22 . . . 6956 1 275 . 1 1 60 60 ARG HG2 H 1 1.700 . . 2 . . . . 22 . . . 6956 1 276 . 1 1 60 60 ARG HG3 H 1 1.670 . . 2 . . . . 22 . . . 6956 1 277 . 1 1 60 60 ARG HD2 H 1 3.480 . . 2 . . . . 22 . . . 6956 1 278 . 1 1 60 60 ARG HD3 H 1 3.252 . . 2 . . . . 22 . . . 6956 1 279 . 1 1 60 60 ARG HE H 1 7.210 . . 1 . . . . 22 . . . 6956 1 280 . 1 1 60 60 ARG C C 13 174.370 . . 1 . . . . 22 . . . 6956 1 281 . 1 1 60 60 ARG CA C 13 58.915 . . 1 . . . . 22 . . . 6956 1 282 . 1 1 60 60 ARG CB C 13 26.087 . . 1 . . . . 22 . . . 6956 1 283 . 1 1 60 60 ARG CG C 13 28.593 . . 1 . . . . 22 . . . 6956 1 284 . 1 1 60 60 ARG CD C 13 43.260 . . 1 . . . . 22 . . . 6956 1 285 . 1 1 60 60 ARG N N 15 115.237 . . 1 . . . . 22 . . . 6956 1 286 . 1 1 60 60 ARG NE N 15 85.540 . . 1 . . . . 22 . . . 6956 1 287 . 1 1 61 61 LEU H H 1 8.473 . . 1 . . . . 23 . . . 6956 1 288 . 1 1 61 61 LEU HB2 H 1 1.390 . . 2 . . . . 23 . . . 6956 1 289 . 1 1 61 61 LEU HB3 H 1 2.040 . . 2 . . . . 23 . . . 6956 1 290 . 1 1 61 61 LEU HG H 1 0.880 . . 1 . . . . 23 . . . 6956 1 291 . 1 1 61 61 LEU HD11 H 1 0.540 . . 2 . . . . 23 . . . 6956 1 292 . 1 1 61 61 LEU HD12 H 1 0.540 . . 2 . . . . 23 . . . 6956 1 293 . 1 1 61 61 LEU HD13 H 1 0.540 . . 2 . . . . 23 . . . 6956 1 294 . 1 1 61 61 LEU HD21 H 1 0.878 . . 2 . . . . 23 . . . 6956 1 295 . 1 1 61 61 LEU HD22 H 1 0.878 . . 2 . . . . 23 . . . 6956 1 296 . 1 1 61 61 LEU HD23 H 1 0.878 . . 2 . . . . 23 . . . 6956 1 297 . 1 1 61 61 LEU C C 13 173.014 . . 1 . . . . 23 . . . 6956 1 298 . 1 1 61 61 LEU CA C 13 54.154 . . 1 . . . . 23 . . . 6956 1 299 . 1 1 61 61 LEU CB C 13 44.114 . . 1 . . . . 23 . . . 6956 1 300 . 1 1 61 61 LEU CG C 13 25.648 . . 1 . . . . 23 . . . 6956 1 301 . 1 1 61 61 LEU CD1 C 13 23.261 . . 1 . . . . 23 . . . 6956 1 302 . 1 1 61 61 LEU CD2 C 13 23.554 . . 1 . . . . 23 . . . 6956 1 303 . 1 1 61 61 LEU N N 15 120.413 . . 1 . . . . 23 . . . 6956 1 304 . 1 1 62 62 HIS H H 1 9.781 . . 1 . . . . 24 . . . 6956 1 305 . 1 1 62 62 HIS HA H 1 4.390 . . 1 . . . . 24 . . . 6956 1 306 . 1 1 62 62 HIS HB2 H 1 3.323 . . 2 . . . . 24 . . . 6956 1 307 . 1 1 62 62 HIS HB3 H 1 2.681 . . 2 . . . . 24 . . . 6956 1 308 . 1 1 62 62 HIS HD2 H 1 6.975 . . 3 . . . . 24 . . . 6956 1 309 . 1 1 62 62 HIS HE1 H 1 7.514 . . 3 . . . . 24 . . . 6956 1 310 . 1 1 62 62 HIS C C 13 174.425 . . 1 . . . . 24 . . . 6956 1 311 . 1 1 62 62 HIS CA C 13 59.175 . . 1 . . . . 24 . . . 6956 1 312 . 1 1 62 62 HIS CB C 13 29.889 . . 1 . . . . 24 . . . 6956 1 313 . 1 1 62 62 HIS CD2 C 13 118.405 . . 1 . . . . 24 . . . 6956 1 314 . 1 1 62 62 HIS CE1 C 13 138.807 . . 1 . . . . 24 . . . 6956 1 315 . 1 1 62 62 HIS N N 15 120.686 . . 1 . . . . 24 . . . 6956 1 316 . 1 1 63 63 LYS H H 1 8.402 . . 1 . . . . 25 . . . 6956 1 317 . 1 1 63 63 LYS HA H 1 4.028 . . 1 . . . . 25 . . . 6956 1 318 . 1 1 63 63 LYS HB2 H 1 0.970 . . 2 . . . . 25 . . . 6956 1 319 . 1 1 63 63 LYS HB3 H 1 1.670 . . 2 . . . . 25 . . . 6956 1 320 . 1 1 63 63 LYS HG2 H 1 -0.008 . . 2 . . . . 25 . . . 6956 1 321 . 1 1 63 63 LYS HG3 H 1 0.500 . . 2 . . . . 25 . . . 6956 1 322 . 1 1 63 63 LYS HD2 H 1 1.539 . . 1 . . . . 25 . . . 6956 1 323 . 1 1 63 63 LYS HD3 H 1 1.539 . . 1 . . . . 25 . . . 6956 1 324 . 1 1 63 63 LYS HE2 H 1 2.880 . . 2 . . . . 25 . . . 6956 1 325 . 1 1 63 63 LYS HE3 H 1 2.700 . . 2 . . . . 25 . . . 6956 1 326 . 1 1 63 63 LYS C C 13 174.278 . . 1 . . . . 25 . . . 6956 1 327 . 1 1 63 63 LYS CA C 13 58.257 . . 1 . . . . 25 . . . 6956 1 328 . 1 1 63 63 LYS CB C 13 31.643 . . 1 . . . . 25 . . . 6956 1 329 . 1 1 63 63 LYS CG C 13 23.058 . . 1 . . . . 25 . . . 6956 1 330 . 1 1 63 63 LYS CD C 13 29.463 . . 1 . . . . 25 . . . 6956 1 331 . 1 1 63 63 LYS CE C 13 41.708 . . 1 . . . . 25 . . . 6956 1 332 . 1 1 63 63 LYS N N 15 125.052 . . 1 . . . . 25 . . . 6956 1 333 . 1 1 64 64 TYR H H 1 7.814 . . 1 . . . . 26 . . . 6956 1 334 . 1 1 64 64 TYR HA H 1 4.110 . . 1 . . . . 26 . . . 6956 1 335 . 1 1 64 64 TYR HB2 H 1 3.380 . . 2 . . . . 26 . . . 6956 1 336 . 1 1 64 64 TYR HB3 H 1 2.660 . . 2 . . . . 26 . . . 6956 1 337 . 1 1 64 64 TYR HD1 H 1 7.155 . . 3 . . . . 26 . . . 6956 1 338 . 1 1 64 64 TYR HE1 H 1 7.193 . . 3 . . . . 26 . . . 6956 1 339 . 1 1 64 64 TYR C C 13 171.991 . . 1 . . . . 26 . . . 6956 1 340 . 1 1 64 64 TYR CA C 13 58.206 . . 1 . . . . 26 . . . 6956 1 341 . 1 1 64 64 TYR CB C 13 37.206 . . 1 . . . . 26 . . . 6956 1 342 . 1 1 64 64 TYR CD1 C 13 133.740 . . 3 . . . . 26 . . . 6956 1 343 . 1 1 64 64 TYR CE1 C 13 119.473 . . 3 . . . . 26 . . . 6956 1 344 . 1 1 64 64 TYR N N 15 117.076 . . 1 . . . . 26 . . . 6956 1 345 . 1 1 65 65 SER H H 1 7.794 . . 1 . . . . 27 . . . 6956 1 346 . 1 1 65 65 SER HA H 1 3.938 . . 1 . . . . 27 . . . 6956 1 347 . 1 1 65 65 SER C C 13 173.994 . . 1 . . . . 27 . . . 6956 1 348 . 1 1 65 65 SER CA C 13 63.358 . . 1 . . . . 27 . . . 6956 1 349 . 1 1 65 65 SER N N 15 116.450 . . 1 . . . . 27 . . . 6956 1 350 . 1 1 66 66 ASP H H 1 8.876 . . 1 . . . . 28 . . . 6956 1 351 . 1 1 66 66 ASP HA H 1 4.420 . . 1 . . . . 28 . . . 6956 1 352 . 1 1 66 66 ASP HB2 H 1 2.700 . . 2 . . . . 28 . . . 6956 1 353 . 1 1 66 66 ASP HB3 H 1 2.791 . . 2 . . . . 28 . . . 6956 1 354 . 1 1 66 66 ASP C C 13 176.021 . . 1 . . . . 28 . . . 6956 1 355 . 1 1 66 66 ASP CA C 13 57.115 . . 1 . . . . 28 . . . 6956 1 356 . 1 1 66 66 ASP CB C 13 39.626 . . 1 . . . . 28 . . . 6956 1 357 . 1 1 66 66 ASP N N 15 121.442 . . 1 . . . . 28 . . . 6956 1 358 . 1 1 67 67 ALA H H 1 8.146 . . 1 . . . . 29 . . . 6956 1 359 . 1 1 67 67 ALA HA H 1 4.273 . . 1 . . . . 29 . . . 6956 1 360 . 1 1 67 67 ALA HB1 H 1 1.542 . . 1 . . . . 29 . . . 6956 1 361 . 1 1 67 67 ALA HB2 H 1 1.542 . . 1 . . . . 29 . . . 6956 1 362 . 1 1 67 67 ALA HB3 H 1 1.542 . . 1 . . . . 29 . . . 6956 1 363 . 1 1 67 67 ALA C C 13 176.490 . . 1 . . . . 29 . . . 6956 1 364 . 1 1 67 67 ALA CA C 13 54.991 . . 1 . . . . 29 . . . 6956 1 365 . 1 1 67 67 ALA CB C 13 18.153 . . 1 . . . . 29 . . . 6956 1 366 . 1 1 67 67 ALA N N 15 122.293 . . 1 . . . . 29 . . . 6956 1 367 . 1 1 68 68 LEU H H 1 7.515 . . 1 . . . . 30 . . . 6956 1 368 . 1 1 68 68 LEU HA H 1 4.535 . . 1 . . . . 30 . . . 6956 1 369 . 1 1 68 68 LEU HB2 H 1 1.840 . . 2 . . . . 30 . . . 6956 1 370 . 1 1 68 68 LEU HB3 H 1 1.682 . . 2 . . . . 30 . . . 6956 1 371 . 1 1 68 68 LEU HD11 H 1 0.680 . . 2 . . . . 30 . . . 6956 1 372 . 1 1 68 68 LEU HD12 H 1 0.680 . . 2 . . . . 30 . . . 6956 1 373 . 1 1 68 68 LEU HD13 H 1 0.680 . . 2 . . . . 30 . . . 6956 1 374 . 1 1 68 68 LEU HD21 H 1 0.930 . . 2 . . . . 30 . . . 6956 1 375 . 1 1 68 68 LEU HD22 H 1 0.930 . . 2 . . . . 30 . . . 6956 1 376 . 1 1 68 68 LEU HD23 H 1 0.930 . . 2 . . . . 30 . . . 6956 1 377 . 1 1 68 68 LEU C C 13 174.345 . . 1 . . . . 30 . . . 6956 1 378 . 1 1 68 68 LEU CA C 13 54.500 . . 1 . . . . 30 . . . 6956 1 379 . 1 1 68 68 LEU CB C 13 42.440 . . 1 . . . . 30 . . . 6956 1 380 . 1 1 68 68 LEU CD1 C 13 21.485 . . 1 . . . . 30 . . . 6956 1 381 . 1 1 68 68 LEU CD2 C 13 26.040 . . 1 . . . . 30 . . . 6956 1 382 . 1 1 68 68 LEU N N 15 112.881 . . 1 . . . . 30 . . . 6956 1 383 . 1 1 69 69 SER H H 1 8.105 . . 1 . . . . 31 . . . 6956 1 384 . 1 1 69 69 SER HA H 1 4.172 . . 1 . . . . 31 . . . 6956 1 385 . 1 1 69 69 SER HB2 H 1 4.130 . . 2 . . . . 31 . . . 6956 1 386 . 1 1 69 69 SER HB3 H 1 4.110 . . 2 . . . . 31 . . . 6956 1 387 . 1 1 69 69 SER C C 13 172.676 . . 1 . . . . 31 . . . 6956 1 388 . 1 1 69 69 SER CA C 13 60.848 . . 1 . . . . 31 . . . 6956 1 389 . 1 1 69 69 SER CB C 13 63.358 . . 1 . . . . 31 . . . 6956 1 390 . 1 1 69 69 SER N N 15 114.122 . . 1 . . . . 31 . . . 6956 1 391 . 1 1 70 70 GLY H H 1 8.750 . . 1 . . . . 32 . . . 6956 1 392 . 1 1 70 70 GLY HA2 H 1 4.010 . . 2 . . . . 32 . . . 6956 1 393 . 1 1 70 70 GLY HA3 H 1 3.972 . . 2 . . . . 32 . . . 6956 1 394 . 1 1 70 70 GLY C C 13 171.213 . . 1 . . . . 32 . . . 6956 1 395 . 1 1 70 70 GLY CA C 13 45.780 . . 1 . . . . 32 . . . 6956 1 396 . 1 1 70 70 GLY N N 15 110.715 . . 1 . . . . 32 . . . 6956 1 397 . 1 1 71 71 THR H H 1 7.858 . . 1 . . . . 33 . . . 6956 1 398 . 1 1 71 71 THR HA H 1 4.177 . . 1 . . . . 33 . . . 6956 1 399 . 1 1 71 71 THR HB H 1 4.006 . . 1 . . . . 33 . . . 6956 1 400 . 1 1 71 71 THR HG21 H 1 1.160 . . 1 . . . . 33 . . . 6956 1 401 . 1 1 71 71 THR HG22 H 1 1.160 . . 1 . . . . 33 . . . 6956 1 402 . 1 1 71 71 THR HG23 H 1 1.160 . . 1 . . . . 33 . . . 6956 1 403 . 1 1 71 71 THR CA C 13 60.011 . . 1 . . . . 33 . . . 6956 1 404 . 1 1 71 71 THR CB C 13 70.889 . . 1 . . . . 33 . . . 6956 1 405 . 1 1 71 71 THR CG2 C 13 21.060 . . 1 . . . . 33 . . . 6956 1 406 . 1 1 71 71 THR N N 15 118.659 . . 1 . . . . 33 . . . 6956 1 407 . 1 1 72 72 PRO HA H 1 4.468 . . 1 . . . . 34 . . . 6956 1 408 . 1 1 72 72 PRO HB2 H 1 1.835 . . 2 . . . . 34 . . . 6956 1 409 . 1 1 72 72 PRO HB3 H 1 2.381 . . 2 . . . . 34 . . . 6956 1 410 . 1 1 72 72 PRO HG2 H 1 2.002 . . 1 . . . . 34 . . . 6956 1 411 . 1 1 72 72 PRO HG3 H 1 2.002 . . 1 . . . . 34 . . . 6956 1 412 . 1 1 72 72 PRO HD2 H 1 3.882 . . 2 . . . . 34 . . . 6956 1 413 . 1 1 72 72 PRO HD3 H 1 3.714 . . 2 . . . . 34 . . . 6956 1 414 . 1 1 72 72 PRO C C 13 176.970 . . 1 . . . . 34 . . . 6956 1 415 . 1 1 72 72 PRO CA C 13 62.520 . . 1 . . . . 34 . . . 6956 1 416 . 1 1 72 72 PRO CB C 13 32.399 . . 1 . . . . 34 . . . 6956 1 417 . 1 1 72 72 PRO CG C 13 27.588 . . 1 . . . . 34 . . . 6956 1 418 . 1 1 72 72 PRO CD C 13 51.011 . . 1 . . . . 34 . . . 6956 1 419 . 1 1 73 73 TRP H H 1 9.230 . . 1 . . . . 35 . . . 6956 1 420 . 1 1 73 73 TRP HA H 1 3.888 . . 1 . . . . 35 . . . 6956 1 421 . 1 1 73 73 TRP HB2 H 1 2.763 . . 2 . . . . 35 . . . 6956 1 422 . 1 1 73 73 TRP HB3 H 1 3.376 . . 2 . . . . 35 . . . 6956 1 423 . 1 1 73 73 TRP HD1 H 1 7.200 . . 1 . . . . 35 . . . 6956 1 424 . 1 1 73 73 TRP HE1 H 1 10.190 . . 3 . . . . 35 . . . 6956 1 425 . 1 1 73 73 TRP HE3 H 1 6.920 . . 3 . . . . 35 . . . 6956 1 426 . 1 1 73 73 TRP HZ2 H 1 5.750 . . 3 . . . . 35 . . . 6956 1 427 . 1 1 73 73 TRP HZ3 H 1 6.480 . . 3 . . . . 35 . . . 6956 1 428 . 1 1 73 73 TRP HH2 H 1 6.670 . . 1 . . . . 35 . . . 6956 1 429 . 1 1 73 73 TRP C C 13 172.877 . . 1 . . . . 35 . . . 6956 1 430 . 1 1 73 73 TRP CA C 13 60.848 . . 1 . . . . 35 . . . 6956 1 431 . 1 1 73 73 TRP CB C 13 26.943 . . 1 . . . . 35 . . . 6956 1 432 . 1 1 73 73 TRP CD1 C 13 125.515 . . 3 . . . . 35 . . . 6956 1 433 . 1 1 73 73 TRP CE3 C 13 121.018 . . 3 . . . . 35 . . . 6956 1 434 . 1 1 73 73 TRP CZ2 C 13 112.989 . . 3 . . . . 35 . . . 6956 1 435 . 1 1 73 73 TRP CH2 C 13 123.746 . . 1 . . . . 35 . . . 6956 1 436 . 1 1 73 73 TRP N N 15 123.706 . . 1 . . . . 35 . . . 6956 1 437 . 1 1 73 73 TRP NE1 N 15 129.190 . . 1 . . . . 35 . . . 6956 1 438 . 1 1 74 74 ILE H H 1 5.863 . . 1 . . . . 36 . . . 6956 1 439 . 1 1 74 74 ILE HA H 1 3.016 . . 1 . . . . 36 . . . 6956 1 440 . 1 1 74 74 ILE HG12 H 1 0.754 . . 1 . . . . 36 . . . 6956 1 441 . 1 1 74 74 ILE HG13 H 1 0.691 . . 1 . . . . 36 . . . 6956 1 442 . 1 1 74 74 ILE HG21 H 1 0.140 . . 1 . . . . 36 . . . 6956 1 443 . 1 1 74 74 ILE HG22 H 1 0.140 . . 1 . . . . 36 . . . 6956 1 444 . 1 1 74 74 ILE HG23 H 1 0.140 . . 1 . . . . 36 . . . 6956 1 445 . 1 1 74 74 ILE HD11 H 1 0.606 . . 1 . . . . 36 . . . 6956 1 446 . 1 1 74 74 ILE HD12 H 1 0.606 . . 1 . . . . 36 . . . 6956 1 447 . 1 1 74 74 ILE HD13 H 1 0.606 . . 1 . . . . 36 . . . 6956 1 448 . 1 1 74 74 ILE C C 13 172.330 . . 1 . . . . 36 . . . 6956 1 449 . 1 1 74 74 ILE CA C 13 63.764 . . 1 . . . . 36 . . . 6956 1 450 . 1 1 74 74 ILE CB C 13 37.932 . . 1 . . . . 36 . . . 6956 1 451 . 1 1 74 74 ILE CG1 C 13 28.230 . . 2 . . . . 36 . . . 6956 1 452 . 1 1 74 74 ILE CG2 C 13 16.730 . . 1 . . . . 36 . . . 6956 1 453 . 1 1 74 74 ILE CD1 C 13 14.183 . . 1 . . . . 36 . . . 6956 1 454 . 1 1 74 74 ILE N N 15 115.721 . . 1 . . . . 36 . . . 6956 1 455 . 1 1 75 75 GLU H H 1 7.003 . . 1 . . . . 37 . . . 6956 1 456 . 1 1 75 75 GLU HA H 1 4.240 . . 1 . . . . 37 . . . 6956 1 457 . 1 1 75 75 GLU HB2 H 1 1.898 . . 1 . . . . 37 . . . 6956 1 458 . 1 1 75 75 GLU HB3 H 1 1.898 . . 1 . . . . 37 . . . 6956 1 459 . 1 1 75 75 GLU HG2 H 1 2.070 . . 1 . . . . 37 . . . 6956 1 460 . 1 1 75 75 GLU HG3 H 1 2.070 . . 1 . . . . 37 . . . 6956 1 461 . 1 1 75 75 GLU C C 13 175.491 . . 1 . . . . 37 . . . 6956 1 462 . 1 1 75 75 GLU CA C 13 57.115 . . 1 . . . . 37 . . . 6956 1 463 . 1 1 75 75 GLU CB C 13 31.070 . . 1 . . . . 37 . . . 6956 1 464 . 1 1 75 75 GLU CG C 13 36.371 . . 1 . . . . 37 . . . 6956 1 465 . 1 1 75 75 GLU N N 15 117.637 . . 1 . . . . 37 . . . 6956 1 466 . 1 1 76 76 LEU H H 1 8.160 . . 1 . . . . 38 . . . 6956 1 467 . 1 1 76 76 LEU HA H 1 3.473 . . 1 . . . . 38 . . . 6956 1 468 . 1 1 76 76 LEU HB2 H 1 1.457 . . 2 . . . . 38 . . . 6956 1 469 . 1 1 76 76 LEU HB3 H 1 1.185 . . 2 . . . . 38 . . . 6956 1 470 . 1 1 76 76 LEU HD11 H 1 0.918 . . 4 . . . . 38 . . . 6956 1 471 . 1 1 76 76 LEU HD12 H 1 0.918 . . 4 . . . . 38 . . . 6956 1 472 . 1 1 76 76 LEU HD13 H 1 0.918 . . 4 . . . . 38 . . . 6956 1 473 . 1 1 76 76 LEU HD21 H 1 0.610 . . 2 . . . . 38 . . . 6956 1 474 . 1 1 76 76 LEU HD22 H 1 0.610 . . 2 . . . . 38 . . . 6956 1 475 . 1 1 76 76 LEU HD23 H 1 0.610 . . 2 . . . . 38 . . . 6956 1 476 . 1 1 76 76 LEU C C 13 173.214 . . 1 . . . . 38 . . . 6956 1 477 . 1 1 76 76 LEU CA C 13 57.695 . . 1 . . . . 38 . . . 6956 1 478 . 1 1 76 76 LEU CB C 13 43.377 . . 1 . . . . 38 . . . 6956 1 479 . 1 1 76 76 LEU CD1 C 13 24.244 . . 1 . . . . 38 . . . 6956 1 480 . 1 1 76 76 LEU CD2 C 13 25.120 . . 1 . . . . 38 . . . 6956 1 481 . 1 1 76 76 LEU N N 15 122.755 . . 1 . . . . 38 . . . 6956 1 482 . 1 1 77 77 ILE H H 1 6.884 . . 1 . . . . 39 . . . 6956 1 483 . 1 1 77 77 ILE HB H 1 1.701 . . 1 . . . . 39 . . . 6956 1 484 . 1 1 77 77 ILE HG21 H 1 0.784 . . 1 . . . . 39 . . . 6956 1 485 . 1 1 77 77 ILE HG22 H 1 0.784 . . 1 . . . . 39 . . . 6956 1 486 . 1 1 77 77 ILE HG23 H 1 0.784 . . 1 . . . . 39 . . . 6956 1 487 . 1 1 77 77 ILE HD11 H 1 0.649 . . 1 . . . . 39 . . . 6956 1 488 . 1 1 77 77 ILE HD12 H 1 0.649 . . 1 . . . . 39 . . . 6956 1 489 . 1 1 77 77 ILE HD13 H 1 0.649 . . 1 . . . . 39 . . . 6956 1 490 . 1 1 77 77 ILE C C 13 171.400 . . 1 . . . . 39 . . . 6956 1 491 . 1 1 77 77 ILE CA C 13 62.522 . . 1 . . . . 39 . . . 6956 1 492 . 1 1 77 77 ILE CB C 13 36.902 . . 1 . . . . 39 . . . 6956 1 493 . 1 1 77 77 ILE CG1 C 13 23.380 . . 2 . . . . 39 . . . 6956 1 494 . 1 1 77 77 ILE CG2 C 13 15.162 . . 1 . . . . 39 . . . 6956 1 495 . 1 1 77 77 ILE CD1 C 13 13.893 . . 1 . . . . 39 . . . 6956 1 496 . 1 1 77 77 ILE N N 15 131.970 . . 1 . . . . 39 . . . 6956 1 497 . 1 1 78 78 TYR H H 1 6.596 . . 1 . . . . 40 . . . 6956 1 498 . 1 1 78 78 TYR HA H 1 4.389 . . 1 . . . . 40 . . . 6956 1 499 . 1 1 78 78 TYR HB2 H 1 3.386 . . 2 . . . . 40 . . . 6956 1 500 . 1 1 78 78 TYR HB3 H 1 2.357 . . 2 . . . . 40 . . . 6956 1 501 . 1 1 78 78 TYR HD1 H 1 7.155 . . 3 . . . . 40 . . . 6956 1 502 . 1 1 78 78 TYR HE1 H 1 7.090 . . 3 . . . . 40 . . . 6956 1 503 . 1 1 78 78 TYR C C 13 173.345 . . 1 . . . . 40 . . . 6956 1 504 . 1 1 78 78 TYR CA C 13 58.599 . . 1 . . . . 40 . . . 6956 1 505 . 1 1 78 78 TYR CB C 13 38.751 . . 1 . . . . 40 . . . 6956 1 506 . 1 1 78 78 TYR CD1 C 13 133.740 . . 3 . . . . 40 . . . 6956 1 507 . 1 1 78 78 TYR CE1 C 13 119.474 . . 3 . . . . 40 . . . 6956 1 508 . 1 1 78 78 TYR N N 15 114.442 . . 1 . . . . 40 . . . 6956 1 509 . 1 1 79 79 LEU H H 1 7.487 . . 1 . . . . 41 . . . 6956 1 510 . 1 1 79 79 LEU HA H 1 4.282 . . 1 . . . . 41 . . . 6956 1 511 . 1 1 79 79 LEU HB2 H 1 1.550 . . 2 . . . . 41 . . . 6956 1 512 . 1 1 79 79 LEU HB3 H 1 2.058 . . 2 . . . . 41 . . . 6956 1 513 . 1 1 79 79 LEU HD11 H 1 1.260 . . 2 . . . . 41 . . . 6956 1 514 . 1 1 79 79 LEU HD12 H 1 1.260 . . 2 . . . . 41 . . . 6956 1 515 . 1 1 79 79 LEU HD13 H 1 1.260 . . 2 . . . . 41 . . . 6956 1 516 . 1 1 79 79 LEU HD21 H 1 0.830 . . 2 . . . . 41 . . . 6956 1 517 . 1 1 79 79 LEU HD22 H 1 0.830 . . 2 . . . . 41 . . . 6956 1 518 . 1 1 79 79 LEU HD23 H 1 0.830 . . 2 . . . . 41 . . . 6956 1 519 . 1 1 79 79 LEU C C 13 172.505 . . 1 . . . . 41 . . . 6956 1 520 . 1 1 79 79 LEU CA C 13 56.277 . . 1 . . . . 41 . . . 6956 1 521 . 1 1 79 79 LEU CB C 13 42.328 . . 1 . . . . 41 . . . 6956 1 522 . 1 1 79 79 LEU CD1 C 13 22.586 . . 1 . . . . 41 . . . 6956 1 523 . 1 1 79 79 LEU CD2 C 13 26.507 . . 1 . . . . 41 . . . 6956 1 524 . 1 1 79 79 LEU N N 15 122.127 . . 1 . . . . 41 . . . 6956 1 525 . 1 1 80 80 ASP H H 1 7.487 . . 1 . . . . 42 . . . 6956 1 526 . 1 1 80 80 ASP HB2 H 1 3.225 . . 2 . . . . 42 . . . 6956 1 527 . 1 1 80 80 ASP HB3 H 1 2.825 . . 2 . . . . 42 . . . 6956 1 528 . 1 1 80 80 ASP C C 13 172.858 . . 1 . . . . 42 . . . 6956 1 529 . 1 1 80 80 ASP CA C 13 51.077 . . 1 . . . . 42 . . . 6956 1 530 . 1 1 80 80 ASP CB C 13 42.680 . . 1 . . . . 42 . . . 6956 1 531 . 1 1 80 80 ASP N N 15 117.519 . . 1 . . . . 42 . . . 6956 1 532 . 1 1 81 81 ASP H H 1 8.573 . . 1 . . . . 43 . . . 6956 1 533 . 1 1 81 81 ASP HA H 1 4.090 . . 1 . . . . 43 . . . 6956 1 534 . 1 1 81 81 ASP HB2 H 1 2.700 . . 2 . . . . 43 . . . 6956 1 535 . 1 1 81 81 ASP HB3 H 1 2.560 . . 2 . . . . 43 . . . 6956 1 536 . 1 1 81 81 ASP C C 13 174.459 . . 1 . . . . 43 . . . 6956 1 537 . 1 1 81 81 ASP CA C 13 59.466 . . 1 . . . . 43 . . . 6956 1 538 . 1 1 81 81 ASP CB C 13 43.277 . . 1 . . . . 43 . . . 6956 1 539 . 1 1 81 81 ASP N N 15 118.688 . . 1 . . . . 43 . . . 6956 1 540 . 1 1 82 82 GLU H H 1 8.537 . . 1 . . . . 44 . . . 6956 1 541 . 1 1 82 82 GLU HA H 1 4.120 . . 1 . . . . 44 . . . 6956 1 542 . 1 1 82 82 GLU HB2 H 1 1.956 . . 3 . . . . 44 . . . 6956 1 543 . 1 1 82 82 GLU HB3 H 1 2.109 . . 2 . . . . 44 . . . 6956 1 544 . 1 1 82 82 GLU HG2 H 1 2.665 . . 3 . . . . 44 . . . 6956 1 545 . 1 1 82 82 GLU HG3 H 1 2.346 . . 2 . . . . 44 . . . 6956 1 546 . 1 1 82 82 GLU C C 13 176.825 . . 1 . . . . 44 . . . 6956 1 547 . 1 1 82 82 GLU CA C 13 59.304 . . 1 . . . . 44 . . . 6956 1 548 . 1 1 82 82 GLU CB C 13 29.810 . . 1 . . . . 44 . . . 6956 1 549 . 1 1 82 82 GLU N N 15 116.613 . . 1 . . . . 44 . . . 6956 1 550 . 1 1 83 83 THR H H 1 8.489 . . 1 . . . . 45 . . . 6956 1 551 . 1 1 83 83 THR HA H 1 4.194 . . 1 . . . . 45 . . . 6956 1 552 . 1 1 83 83 THR HB H 1 3.880 . . 1 . . . . 45 . . . 6956 1 553 . 1 1 83 83 THR HG21 H 1 1.280 . . 1 . . . . 45 . . . 6956 1 554 . 1 1 83 83 THR HG22 H 1 1.280 . . 1 . . . . 45 . . . 6956 1 555 . 1 1 83 83 THR HG23 H 1 1.280 . . 1 . . . . 45 . . . 6956 1 556 . 1 1 83 83 THR C C 13 173.855 . . 1 . . . . 45 . . . 6956 1 557 . 1 1 83 83 THR CA C 13 67.301 . . 1 . . . . 45 . . . 6956 1 558 . 1 1 83 83 THR CG2 C 13 22.653 . . 1 . . . . 45 . . . 6956 1 559 . 1 1 83 83 THR N N 15 117.688 . . 1 . . . . 45 . . . 6956 1 560 . 1 1 84 84 LEU H H 1 8.692 . . 1 . . . . 46 . . . 6956 1 561 . 1 1 84 84 LEU HA H 1 3.787 . . 1 . . . . 46 . . . 6956 1 562 . 1 1 84 84 LEU HB2 H 1 2.172 . . 2 . . . . 46 . . . 6956 1 563 . 1 1 84 84 LEU HB3 H 1 0.921 . . 2 . . . . 46 . . . 6956 1 564 . 1 1 84 84 LEU HD11 H 1 0.764 . . 2 . . . . 46 . . . 6956 1 565 . 1 1 84 84 LEU HD12 H 1 0.764 . . 2 . . . . 46 . . . 6956 1 566 . 1 1 84 84 LEU HD13 H 1 0.764 . . 2 . . . . 46 . . . 6956 1 567 . 1 1 84 84 LEU HD21 H 1 0.921 . . 2 . . . . 46 . . . 6956 1 568 . 1 1 84 84 LEU HD22 H 1 0.921 . . 2 . . . . 46 . . . 6956 1 569 . 1 1 84 84 LEU HD23 H 1 0.921 . . 2 . . . . 46 . . . 6956 1 570 . 1 1 84 84 LEU C C 13 175.862 . . 1 . . . . 46 . . . 6956 1 571 . 1 1 84 84 LEU CA C 13 58.380 . . 1 . . . . 46 . . . 6956 1 572 . 1 1 84 84 LEU CB C 13 42.239 . . 1 . . . . 46 . . . 6956 1 573 . 1 1 84 84 LEU CD1 C 13 26.550 . . 1 . . . . 46 . . . 6956 1 574 . 1 1 84 84 LEU CD2 C 13 23.690 . . 1 . . . . 46 . . . 6956 1 575 . 1 1 84 84 LEU N N 15 121.370 . . 1 . . . . 46 . . . 6956 1 576 . 1 1 85 85 GLU H H 1 8.134 . . 1 . . . . 47 . . . 6956 1 577 . 1 1 85 85 GLU HA H 1 3.809 . . 1 . . . . 47 . . . 6956 1 578 . 1 1 85 85 GLU HB2 H 1 2.338 . . 2 . . . . 47 . . . 6956 1 579 . 1 1 85 85 GLU HB3 H 1 2.167 . . 2 . . . . 47 . . . 6956 1 580 . 1 1 85 85 GLU HG2 H 1 2.145 . . 2 . . . . 47 . . . 6956 1 581 . 1 1 85 85 GLU HG3 H 1 2.065 . . 2 . . . . 47 . . . 6956 1 582 . 1 1 85 85 GLU C C 13 177.686 . . 1 . . . . 47 . . . 6956 1 583 . 1 1 85 85 GLU CA C 13 60.011 . . 1 . . . . 47 . . . 6956 1 584 . 1 1 85 85 GLU CB C 13 28.550 . . 1 . . . . 47 . . . 6956 1 585 . 1 1 85 85 GLU CG C 13 35.531 . . 1 . . . . 47 . . . 6956 1 586 . 1 1 85 85 GLU N N 15 120.159 . . 1 . . . . 47 . . . 6956 1 587 . 1 1 86 86 LYS H H 1 8.141 . . 1 . . . . 48 . . . 6956 1 588 . 1 1 86 86 LYS HA H 1 3.983 . . 1 . . . . 48 . . . 6956 1 589 . 1 1 86 86 LYS HB2 H 1 1.998 . . 1 . . . . 48 . . . 6956 1 590 . 1 1 86 86 LYS HB3 H 1 1.998 . . 1 . . . . 48 . . . 6956 1 591 . 1 1 86 86 LYS HG2 H 1 1.517 . . 1 . . . . 48 . . . 6956 1 592 . 1 1 86 86 LYS HG3 H 1 1.517 . . 1 . . . . 48 . . . 6956 1 593 . 1 1 86 86 LYS HD2 H 1 1.676 . . 1 . . . . 48 . . . 6956 1 594 . 1 1 86 86 LYS HD3 H 1 1.676 . . 1 . . . . 48 . . . 6956 1 595 . 1 1 86 86 LYS HE2 H 1 2.960 . . 1 . . . . 48 . . . 6956 1 596 . 1 1 86 86 LYS HE3 H 1 2.960 . . 1 . . . . 48 . . . 6956 1 597 . 1 1 86 86 LYS C C 13 176.154 . . 1 . . . . 48 . . . 6956 1 598 . 1 1 86 86 LYS CA C 13 59.370 . . 1 . . . . 48 . . . 6956 1 599 . 1 1 86 86 LYS CB C 13 32.422 . . 1 . . . . 48 . . . 6956 1 600 . 1 1 86 86 LYS CG C 13 25.545 . . 1 . . . . 48 . . . 6956 1 601 . 1 1 86 86 LYS CD C 13 29.267 . . 1 . . . . 48 . . . 6956 1 602 . 1 1 86 86 LYS CE C 13 42.193 . . 1 . . . . 48 . . . 6956 1 603 . 1 1 86 86 LYS N N 15 121.527 . . 1 . . . . 48 . . . 6956 1 604 . 1 1 87 87 LYS H H 1 8.062 . . 1 . . . . 49 . . . 6956 1 605 . 1 1 87 87 LYS HA H 1 4.193 . . 1 . . . . 49 . . . 6956 1 606 . 1 1 87 87 LYS HB2 H 1 1.834 . . 1 . . . . 49 . . . 6956 1 607 . 1 1 87 87 LYS HB3 H 1 1.834 . . 1 . . . . 49 . . . 6956 1 608 . 1 1 87 87 LYS HG2 H 1 1.600 . . 1 . . . . 49 . . . 6956 1 609 . 1 1 87 87 LYS HG3 H 1 1.600 . . 1 . . . . 49 . . . 6956 1 610 . 1 1 87 87 LYS HD2 H 1 1.592 . . 1 . . . . 49 . . . 6956 1 611 . 1 1 87 87 LYS HD3 H 1 1.592 . . 1 . . . . 49 . . . 6956 1 612 . 1 1 87 87 LYS C C 13 173.457 . . 1 . . . . 49 . . . 6956 1 613 . 1 1 87 87 LYS CA C 13 57.397 . . 1 . . . . 49 . . . 6956 1 614 . 1 1 87 87 LYS CB C 13 32.868 . . 1 . . . . 49 . . . 6956 1 615 . 1 1 87 87 LYS CG C 13 25.470 . . 1 . . . . 49 . . . 6956 1 616 . 1 1 87 87 LYS CD C 13 29.123 . . 1 . . . . 49 . . . 6956 1 617 . 1 1 87 87 LYS CE C 13 41.686 . . 1 . . . . 49 . . . 6956 1 618 . 1 1 87 87 LYS N N 15 116.948 . . 1 . . . . 49 . . . 6956 1 619 . 1 1 88 88 GLY H H 1 7.642 . . 1 . . . . 50 . . . 6956 1 620 . 1 1 88 88 GLY HA2 H 1 4.649 . . 2 . . . . 50 . . . 6956 1 621 . 1 1 88 88 GLY HA3 H 1 3.613 . . 2 . . . . 50 . . . 6956 1 622 . 1 1 88 88 GLY C C 13 172.535 . . 1 . . . . 50 . . . 6956 1 623 . 1 1 88 88 GLY CA C 13 44.491 . . 1 . . . . 50 . . . 6956 1 624 . 1 1 89 89 VAL H H 1 8.377 . . 1 . . . . 51 . . . 6956 1 625 . 1 1 89 89 VAL HA H 1 4.040 . . 1 . . . . 51 . . . 6956 1 626 . 1 1 89 89 VAL HB H 1 1.649 . . 1 . . . . 51 . . . 6956 1 627 . 1 1 89 89 VAL HG11 H 1 0.462 . . 2 . . . . 51 . . . 6956 1 628 . 1 1 89 89 VAL HG12 H 1 0.462 . . 2 . . . . 51 . . . 6956 1 629 . 1 1 89 89 VAL HG13 H 1 0.462 . . 2 . . . . 51 . . . 6956 1 630 . 1 1 89 89 VAL HG21 H 1 -0.135 . . 2 . . . . 51 . . . 6956 1 631 . 1 1 89 89 VAL HG22 H 1 -0.135 . . 2 . . . . 51 . . . 6956 1 632 . 1 1 89 89 VAL HG23 H 1 -0.135 . . 2 . . . . 51 . . . 6956 1 633 . 1 1 89 89 VAL C C 13 172.614 . . 1 . . . . 51 . . . 6956 1 634 . 1 1 89 89 VAL CA C 13 60.011 . . 1 . . . . 51 . . . 6956 1 635 . 1 1 89 89 VAL CB C 13 27.379 . . 1 . . . . 51 . . . 6956 1 636 . 1 1 89 89 VAL CG1 C 13 18.924 . . 1 . . . . 51 . . . 6956 1 637 . 1 1 89 89 VAL CG2 C 13 21.763 . . 1 . . . . 51 . . . 6956 1 638 . 1 1 89 89 VAL N N 15 122.408 . . 1 . . . . 51 . . . 6956 1 639 . 1 1 90 90 LEU H H 1 7.212 . . 1 . . . . 52 . . . 6956 1 640 . 1 1 90 90 LEU HA H 1 3.935 . . 1 . . . . 52 . . . 6956 1 641 . 1 1 90 90 LEU HB2 H 1 1.638 . . 2 . . . . 52 . . . 6956 1 642 . 1 1 90 90 LEU HB3 H 1 1.900 . . 2 . . . . 52 . . . 6956 1 643 . 1 1 90 90 LEU HD11 H 1 0.888 . . 2 . . . . 52 . . . 6956 1 644 . 1 1 90 90 LEU HD12 H 1 0.888 . . 2 . . . . 52 . . . 6956 1 645 . 1 1 90 90 LEU HD13 H 1 0.888 . . 2 . . . . 52 . . . 6956 1 646 . 1 1 90 90 LEU HD21 H 1 1.014 . . 2 . . . . 52 . . . 6956 1 647 . 1 1 90 90 LEU HD22 H 1 1.014 . . 2 . . . . 52 . . . 6956 1 648 . 1 1 90 90 LEU HD23 H 1 1.014 . . 2 . . . . 52 . . . 6956 1 649 . 1 1 90 90 LEU C C 13 174.625 . . 1 . . . . 52 . . . 6956 1 650 . 1 1 90 90 LEU CA C 13 57.364 . . 1 . . . . 52 . . . 6956 1 651 . 1 1 90 90 LEU CB C 13 41.333 . . 1 . . . . 52 . . . 6956 1 652 . 1 1 90 90 LEU CG C 13 26.878 . . 1 . . . . 52 . . . 6956 1 653 . 1 1 90 90 LEU CD1 C 13 22.360 . . 1 . . . . 52 . . . 6956 1 654 . 1 1 90 90 LEU CD2 C 13 25.162 . . 1 . . . . 52 . . . 6956 1 655 . 1 1 90 90 LEU N N 15 124.238 . . 1 . . . . 52 . . . 6956 1 656 . 1 1 91 91 ALA H H 1 6.901 . . 1 . . . . 53 . . . 6956 1 657 . 1 1 91 91 ALA HA H 1 4.683 . . 1 . . . . 53 . . . 6956 1 658 . 1 1 91 91 ALA HB1 H 1 1.611 . . 1 . . . . 53 . . . 6956 1 659 . 1 1 91 91 ALA HB2 H 1 1.611 . . 1 . . . . 53 . . . 6956 1 660 . 1 1 91 91 ALA HB3 H 1 1.611 . . 1 . . . . 53 . . . 6956 1 661 . 1 1 91 91 ALA C C 13 173.751 . . 1 . . . . 53 . . . 6956 1 662 . 1 1 91 91 ALA CA C 13 51.644 . . 1 . . . . 53 . . . 6956 1 663 . 1 1 91 91 ALA CB C 13 18.881 . . 1 . . . . 53 . . . 6956 1 664 . 1 1 91 91 ALA N N 15 120.326 . . 1 . . . . 53 . . . 6956 1 665 . 1 1 92 92 LEU H H 1 8.613 . . 1 . . . . 54 . . . 6956 1 666 . 1 1 92 92 LEU HA H 1 3.811 . . 1 . . . . 54 . . . 6956 1 667 . 1 1 92 92 LEU HB2 H 1 2.010 . . 2 . . . . 54 . . . 6956 1 668 . 1 1 92 92 LEU HB3 H 1 1.684 . . 2 . . . . 54 . . . 6956 1 669 . 1 1 92 92 LEU HD11 H 1 0.870 . . 2 . . . . 54 . . . 6956 1 670 . 1 1 92 92 LEU HD12 H 1 0.870 . . 2 . . . . 54 . . . 6956 1 671 . 1 1 92 92 LEU HD13 H 1 0.870 . . 2 . . . . 54 . . . 6956 1 672 . 1 1 92 92 LEU HD21 H 1 0.900 . . 2 . . . . 54 . . . 6956 1 673 . 1 1 92 92 LEU HD22 H 1 0.900 . . 2 . . . . 54 . . . 6956 1 674 . 1 1 92 92 LEU HD23 H 1 0.900 . . 2 . . . . 54 . . . 6956 1 675 . 1 1 92 92 LEU C C 13 176.561 . . 1 . . . . 54 . . . 6956 1 676 . 1 1 92 92 LEU CA C 13 58.564 . . 1 . . . . 54 . . . 6956 1 677 . 1 1 92 92 LEU CB C 13 41.603 . . 1 . . . . 54 . . . 6956 1 678 . 1 1 92 92 LEU CD1 C 13 23.677 . . 1 . . . . 54 . . . 6956 1 679 . 1 1 92 92 LEU CD2 C 13 25.648 . . 1 . . . . 54 . . . 6956 1 680 . 1 1 92 92 LEU N N 15 131.367 . . 1 . . . . 54 . . . 6956 1 681 . 1 1 93 93 GLY H H 1 9.725 . . 1 . . . . 55 . . . 6956 1 682 . 1 1 93 93 GLY HA2 H 1 4.249 . . 2 . . . . 55 . . . 6956 1 683 . 1 1 93 93 GLY HA3 H 1 3.469 . . 2 . . . . 55 . . . 6956 1 684 . 1 1 93 93 GLY C C 13 173.618 . . 1 . . . . 55 . . . 6956 1 685 . 1 1 93 93 GLY CA C 13 47.460 . . 1 . . . . 55 . . . 6956 1 686 . 1 1 93 93 GLY N N 15 106.179 . . 1 . . . . 55 . . . 6956 1 687 . 1 1 94 94 ALA H H 1 6.318 . . 1 . . . . 56 . . . 6956 1 688 . 1 1 94 94 ALA HA H 1 3.350 . . 1 . . . . 56 . . . 6956 1 689 . 1 1 94 94 ALA HB1 H 1 1.250 . . 1 . . . . 56 . . . 6956 1 690 . 1 1 94 94 ALA HB2 H 1 1.250 . . 1 . . . . 56 . . . 6956 1 691 . 1 1 94 94 ALA HB3 H 1 1.250 . . 1 . . . . 56 . . . 6956 1 692 . 1 1 94 94 ALA C C 13 175.883 . . 1 . . . . 56 . . . 6956 1 693 . 1 1 94 94 ALA CA C 13 54.991 . . 1 . . . . 56 . . . 6956 1 694 . 1 1 94 94 ALA CB C 13 19.523 . . 1 . . . . 56 . . . 6956 1 695 . 1 1 94 94 ALA N N 15 121.353 . . 1 . . . . 56 . . . 6956 1 696 . 1 1 95 95 ARG H H 1 7.709 . . 1 . . . . 57 . . . 6956 1 697 . 1 1 95 95 ARG HA H 1 4.763 . . 1 . . . . 57 . . . 6956 1 698 . 1 1 95 95 ARG HB2 H 1 1.982 . . 1 . . . . 57 . . . 6956 1 699 . 1 1 95 95 ARG HB3 H 1 1.982 . . 1 . . . . 57 . . . 6956 1 700 . 1 1 95 95 ARG HD2 H 1 3.340 . . 2 . . . . 57 . . . 6956 1 701 . 1 1 95 95 ARG HD3 H 1 3.472 . . 2 . . . . 57 . . . 6956 1 702 . 1 1 95 95 ARG HE H 1 8.220 . . 1 . . . . 57 . . . 6956 1 703 . 1 1 95 95 ARG C C 13 175.021 . . 1 . . . . 57 . . . 6956 1 704 . 1 1 95 95 ARG CA C 13 61.685 . . 1 . . . . 57 . . . 6956 1 705 . 1 1 95 95 ARG CB C 13 30.021 . . 1 . . . . 57 . . . 6956 1 706 . 1 1 95 95 ARG CD C 13 43.279 . . 1 . . . . 57 . . . 6956 1 707 . 1 1 95 95 ARG N N 15 117.076 . . 1 . . . . 57 . . . 6956 1 708 . 1 1 95 95 ARG NE N 15 82.330 . . 1 . . . . 57 . . . 6956 1 709 . 1 1 96 96 ARG H H 1 8.446 . . 1 . . . . 58 . . . 6956 1 710 . 1 1 96 96 ARG HA H 1 4.300 . . 1 . . . . 58 . . . 6956 1 711 . 1 1 96 96 ARG HB2 H 1 1.797 . . 2 . . . . 58 . . . 6956 1 712 . 1 1 96 96 ARG HB3 H 1 1.660 . . 2 . . . . 58 . . . 6956 1 713 . 1 1 96 96 ARG HG2 H 1 1.669 . . 2 . . . . 58 . . . 6956 1 714 . 1 1 96 96 ARG HG3 H 1 1.491 . . 2 . . . . 58 . . . 6956 1 715 . 1 1 96 96 ARG HD2 H 1 3.030 . . 2 . . . . 58 . . . 6956 1 716 . 1 1 96 96 ARG HD3 H 1 3.626 . . 2 . . . . 58 . . . 6956 1 717 . 1 1 96 96 ARG HE H 1 7.143 . . 1 . . . . 58 . . . 6956 1 718 . 1 1 96 96 ARG C C 13 176.005 . . 1 . . . . 58 . . . 6956 1 719 . 1 1 96 96 ARG CA C 13 59.369 . . 1 . . . . 58 . . . 6956 1 720 . 1 1 96 96 ARG CB C 13 30.366 . . 1 . . . . 58 . . . 6956 1 721 . 1 1 96 96 ARG CG C 13 26.991 . . 1 . . . . 58 . . . 6956 1 722 . 1 1 96 96 ARG CD C 13 43.937 . . 1 . . . . 58 . . . 6956 1 723 . 1 1 96 96 ARG N N 15 116.614 . . 1 . . . . 58 . . . 6956 1 724 . 1 1 96 96 ARG NE N 15 84.550 . . 1 . . . . 58 . . . 6956 1 725 . 1 1 97 97 LYS H H 1 7.139 . . 1 . . . . 59 . . . 6956 1 726 . 1 1 97 97 LYS HA H 1 3.698 . . 1 . . . . 59 . . . 6956 1 727 . 1 1 97 97 LYS HB2 H 1 1.346 . . 2 . . . . 59 . . . 6956 1 728 . 1 1 97 97 LYS HB3 H 1 1.126 . . 2 . . . . 59 . . . 6956 1 729 . 1 1 97 97 LYS HD2 H 1 1.665 . . 2 . . . . 59 . . . 6956 1 730 . 1 1 97 97 LYS HD3 H 1 1.795 . . 2 . . . . 59 . . . 6956 1 731 . 1 1 97 97 LYS C C 13 175.244 . . 1 . . . . 59 . . . 6956 1 732 . 1 1 97 97 LYS CA C 13 60.000 . . 1 . . . . 59 . . . 6956 1 733 . 1 1 97 97 LYS CB C 13 32.609 . . 1 . . . . 59 . . . 6956 1 734 . 1 1 97 97 LYS CG C 13 25.675 . . 1 . . . . 59 . . . 6956 1 735 . 1 1 97 97 LYS CD C 13 30.358 . . 1 . . . . 59 . . . 6956 1 736 . 1 1 97 97 LYS N N 15 121.063 . . 1 . . . . 59 . . . 6956 1 737 . 1 1 98 98 LEU H H 1 7.915 . . 1 . . . . 60 . . . 6956 1 738 . 1 1 98 98 LEU HA H 1 3.260 . . 1 . . . . 60 . . . 6956 1 739 . 1 1 98 98 LEU HB2 H 1 1.530 . . 1 . . . . 60 . . . 6956 1 740 . 1 1 98 98 LEU HB3 H 1 1.530 . . 1 . . . . 60 . . . 6956 1 741 . 1 1 98 98 LEU HD11 H 1 0.710 . . 2 . . . . 60 . . . 6956 1 742 . 1 1 98 98 LEU HD12 H 1 0.710 . . 2 . . . . 60 . . . 6956 1 743 . 1 1 98 98 LEU HD13 H 1 0.710 . . 2 . . . . 60 . . . 6956 1 744 . 1 1 98 98 LEU HD21 H 1 0.630 . . 2 . . . . 60 . . . 6956 1 745 . 1 1 98 98 LEU HD22 H 1 0.630 . . 2 . . . . 60 . . . 6956 1 746 . 1 1 98 98 LEU HD23 H 1 0.630 . . 2 . . . . 60 . . . 6956 1 747 . 1 1 98 98 LEU C C 13 174.047 . . 1 . . . . 60 . . . 6956 1 748 . 1 1 98 98 LEU CA C 13 54.958 . . 1 . . . . 60 . . . 6956 1 749 . 1 1 98 98 LEU CB C 13 39.111 . . 1 . . . . 60 . . . 6956 1 750 . 1 1 98 98 LEU CD1 C 13 24.455 . . 1 . . . . 60 . . . 6956 1 751 . 1 1 98 98 LEU CD2 C 13 27.325 . . 1 . . . . 60 . . . 6956 1 752 . 1 1 98 98 LEU N N 15 118.573 . . 1 . . . . 60 . . . 6956 1 753 . 1 1 99 99 LEU H H 1 8.261 . . 1 . . . . 61 . . . 6956 1 754 . 1 1 99 99 LEU HA H 1 3.660 . . 1 . . . . 61 . . . 6956 1 755 . 1 1 99 99 LEU HB2 H 1 1.600 . . 2 . . . . 61 . . . 6956 1 756 . 1 1 99 99 LEU HB3 H 1 1.360 . . 2 . . . . 61 . . . 6956 1 757 . 1 1 99 99 LEU HD11 H 1 0.980 . . 2 . . . . 61 . . . 6956 1 758 . 1 1 99 99 LEU HD12 H 1 0.980 . . 2 . . . . 61 . . . 6956 1 759 . 1 1 99 99 LEU HD13 H 1 0.980 . . 2 . . . . 61 . . . 6956 1 760 . 1 1 99 99 LEU CA C 13 55.590 . . 1 . . . . 61 . . . 6956 1 761 . 1 1 99 99 LEU CB C 13 38.269 . . 1 . . . . 61 . . . 6956 1 762 . 1 1 99 99 LEU CD1 C 13 23.495 . . 2 . . . . 61 . . . 6956 1 763 . 1 1 99 99 LEU CD2 C 13 23.550 . . 1 . . . . 61 . . . 6956 1 764 . 1 1 99 99 LEU N N 15 115.787 . . 1 . . . . 61 . . . 6956 1 765 . 1 1 100 100 LYS H H 1 7.698 . . 1 . . . . 62 . . . 6956 1 766 . 1 1 100 100 LYS HA H 1 3.990 . . 1 . . . . 62 . . . 6956 1 767 . 1 1 100 100 LYS HB2 H 1 1.825 . . 1 . . . . 62 . . . 6956 1 768 . 1 1 100 100 LYS HB3 H 1 1.825 . . 1 . . . . 62 . . . 6956 1 769 . 1 1 100 100 LYS HG2 H 1 1.436 . . 1 . . . . 62 . . . 6956 1 770 . 1 1 100 100 LYS HG3 H 1 1.436 . . 1 . . . . 62 . . . 6956 1 771 . 1 1 100 100 LYS HD2 H 1 1.552 . . 1 . . . . 62 . . . 6956 1 772 . 1 1 100 100 LYS HD3 H 1 1.552 . . 1 . . . . 62 . . . 6956 1 773 . 1 1 100 100 LYS HE2 H 1 2.853 . . 1 . . . . 62 . . . 6956 1 774 . 1 1 100 100 LYS HE3 H 1 2.853 . . 1 . . . . 62 . . . 6956 1 775 . 1 1 100 100 LYS C C 13 176.268 . . 1 . . . . 62 . . . 6956 1 776 . 1 1 100 100 LYS CA C 13 59.394 . . 1 . . . . 62 . . . 6956 1 777 . 1 1 100 100 LYS CB C 13 32.502 . . 1 . . . . 62 . . . 6956 1 778 . 1 1 100 100 LYS CG C 13 25.067 . . 1 . . . . 62 . . . 6956 1 779 . 1 1 100 100 LYS CD C 13 29.704 . . 1 . . . . 62 . . . 6956 1 780 . 1 1 100 100 LYS CE C 13 42.018 . . 1 . . . . 62 . . . 6956 1 781 . 1 1 100 100 LYS N N 15 121.719 . . 1 . . . . 62 . . . 6956 1 782 . 1 1 101 101 ALA H H 1 8.024 . . 1 . . . . 63 . . . 6956 1 783 . 1 1 101 101 ALA HA H 1 4.040 . . 1 . . . . 63 . . . 6956 1 784 . 1 1 101 101 ALA HB1 H 1 1.423 . . 1 . . . . 63 . . . 6956 1 785 . 1 1 101 101 ALA HB2 H 1 1.423 . . 1 . . . . 63 . . . 6956 1 786 . 1 1 101 101 ALA HB3 H 1 1.423 . . 1 . . . . 63 . . . 6956 1 787 . 1 1 101 101 ALA C C 13 177.374 . . 1 . . . . 63 . . . 6956 1 788 . 1 1 101 101 ALA CA C 13 54.991 . . 1 . . . . 63 . . . 6956 1 789 . 1 1 101 101 ALA CB C 13 19.012 . . 1 . . . . 63 . . . 6956 1 790 . 1 1 101 101 ALA N N 15 123.432 . . 1 . . . . 63 . . . 6956 1 791 . 1 1 102 102 PHE H H 1 9.756 . . 1 . . . . 64 . . . 6956 1 792 . 1 1 102 102 PHE HA H 1 3.270 . . 1 . . . . 64 . . . 6956 1 793 . 1 1 102 102 PHE HB2 H 1 3.274 . . 2 . . . . 64 . . . 6956 1 794 . 1 1 102 102 PHE HD1 H 1 7.080 . . 3 . . . . 64 . . . 6956 1 795 . 1 1 102 102 PHE HE1 H 1 7.100 . . 3 . . . . 64 . . . 6956 1 796 . 1 1 102 102 PHE HZ H 1 6.770 . . 1 . . . . 64 . . . 6956 1 797 . 1 1 102 102 PHE C C 13 175.729 . . 1 . . . . 64 . . . 6956 1 798 . 1 1 102 102 PHE CA C 13 57.001 . . 1 . . . . 64 . . . 6956 1 799 . 1 1 102 102 PHE CB C 13 36.748 . . 1 . . . . 64 . . . 6956 1 800 . 1 1 102 102 PHE N N 15 116.952 . . 1 . . . . 64 . . . 6956 1 801 . 1 1 103 103 GLY H H 1 8.114 . . 1 . . . . 65 . . . 6956 1 802 . 1 1 103 103 GLY HA2 H 1 4.004 . . 2 . . . . 65 . . . 6956 1 803 . 1 1 103 103 GLY HA3 H 1 3.809 . . 2 . . . . 65 . . . 6956 1 804 . 1 1 103 103 GLY C C 13 173.977 . . 1 . . . . 65 . . . 6956 1 805 . 1 1 103 103 GLY CA C 13 47.460 . . 1 . . . . 65 . . . 6956 1 806 . 1 1 103 103 GLY N N 15 104.543 . . 1 . . . . 65 . . . 6956 1 807 . 1 1 104 104 ILE H H 1 7.439 . . 1 . . . . 66 . . . 6956 1 808 . 1 1 104 104 ILE HA H 1 4.000 . . 1 . . . . 66 . . . 6956 1 809 . 1 1 104 104 ILE HB H 1 2.067 . . 1 . . . . 66 . . . 6956 1 810 . 1 1 104 104 ILE HG12 H 1 1.100 . . 1 . . . . 66 . . . 6956 1 811 . 1 1 104 104 ILE HG13 H 1 1.800 . . 1 . . . . 66 . . . 6956 1 812 . 1 1 104 104 ILE HG21 H 1 0.712 . . 1 . . . . 66 . . . 6956 1 813 . 1 1 104 104 ILE HG22 H 1 0.712 . . 1 . . . . 66 . . . 6956 1 814 . 1 1 104 104 ILE HG23 H 1 0.712 . . 1 . . . . 66 . . . 6956 1 815 . 1 1 104 104 ILE HD11 H 1 0.780 . . 1 . . . . 66 . . . 6956 1 816 . 1 1 104 104 ILE HD12 H 1 0.780 . . 1 . . . . 66 . . . 6956 1 817 . 1 1 104 104 ILE HD13 H 1 0.780 . . 1 . . . . 66 . . . 6956 1 818 . 1 1 104 104 ILE C C 13 174.640 . . 1 . . . . 66 . . . 6956 1 819 . 1 1 104 104 ILE CA C 13 64.856 . . 1 . . . . 66 . . . 6956 1 820 . 1 1 104 104 ILE CB C 13 37.885 . . 1 . . . . 66 . . . 6956 1 821 . 1 1 104 104 ILE CG1 C 13 29.087 . . 2 . . . . 66 . . . 6956 1 822 . 1 1 104 104 ILE CG2 C 13 17.279 . . 1 . . . . 66 . . . 6956 1 823 . 1 1 104 104 ILE CD1 C 13 14.030 . . 1 . . . . 66 . . . 6956 1 824 . 1 1 104 104 ILE N N 15 123.431 . . 1 . . . . 66 . . . 6956 1 825 . 1 1 105 105 VAL H H 1 7.891 . . 1 . . . . 67 . . . 6956 1 826 . 1 1 105 105 VAL HA H 1 3.371 . . 1 . . . . 67 . . . 6956 1 827 . 1 1 105 105 VAL HB H 1 2.262 . . 1 . . . . 67 . . . 6956 1 828 . 1 1 105 105 VAL HG11 H 1 1.160 . . 2 . . . . 67 . . . 6956 1 829 . 1 1 105 105 VAL HG12 H 1 1.160 . . 2 . . . . 67 . . . 6956 1 830 . 1 1 105 105 VAL HG13 H 1 1.160 . . 2 . . . . 67 . . . 6956 1 831 . 1 1 105 105 VAL HG21 H 1 0.943 . . 2 . . . . 67 . . . 6956 1 832 . 1 1 105 105 VAL HG22 H 1 0.943 . . 2 . . . . 67 . . . 6956 1 833 . 1 1 105 105 VAL HG23 H 1 0.943 . . 2 . . . . 67 . . . 6956 1 834 . 1 1 105 105 VAL C C 13 175.246 . . 1 . . . . 67 . . . 6956 1 835 . 1 1 105 105 VAL CA C 13 67.685 . . 1 . . . . 67 . . . 6956 1 836 . 1 1 105 105 VAL CB C 13 31.142 . . 1 . . . . 67 . . . 6956 1 837 . 1 1 105 105 VAL CG1 C 13 22.894 . . 1 . . . . 67 . . . 6956 1 838 . 1 1 105 105 VAL CG2 C 13 24.108 . . 1 . . . . 67 . . . 6956 1 839 . 1 1 105 105 VAL N N 15 119.664 . . 1 . . . . 67 . . . 6956 1 840 . 1 1 106 106 ILE H H 1 9.278 . . 1 . . . . 68 . . . 6956 1 841 . 1 1 106 106 ILE HA H 1 3.387 . . 1 . . . . 68 . . . 6956 1 842 . 1 1 106 106 ILE HB H 1 1.749 . . 1 . . . . 68 . . . 6956 1 843 . 1 1 106 106 ILE HG12 H 1 1.471 . . 1 . . . . 68 . . . 6956 1 844 . 1 1 106 106 ILE HG13 H 1 0.078 . . 1 . . . . 68 . . . 6956 1 845 . 1 1 106 106 ILE HG21 H 1 0.971 . . 1 . . . . 68 . . . 6956 1 846 . 1 1 106 106 ILE HG22 H 1 0.971 . . 1 . . . . 68 . . . 6956 1 847 . 1 1 106 106 ILE HG23 H 1 0.971 . . 1 . . . . 68 . . . 6956 1 848 . 1 1 106 106 ILE HD11 H 1 0.580 . . 1 . . . . 68 . . . 6956 1 849 . 1 1 106 106 ILE HD12 H 1 0.580 . . 1 . . . . 68 . . . 6956 1 850 . 1 1 106 106 ILE HD13 H 1 0.580 . . 1 . . . . 68 . . . 6956 1 851 . 1 1 106 106 ILE C C 13 174.603 . . 1 . . . . 68 . . . 6956 1 852 . 1 1 106 106 ILE CA C 13 66.660 . . 1 . . . . 68 . . . 6956 1 853 . 1 1 106 106 ILE CB C 13 38.854 . . 1 . . . . 68 . . . 6956 1 854 . 1 1 106 106 ILE CG1 C 13 29.935 . . 2 . . . . 68 . . . 6956 1 855 . 1 1 106 106 ILE CG2 C 13 17.284 . . 1 . . . . 68 . . . 6956 1 856 . 1 1 106 106 ILE CD1 C 13 13.677 . . 1 . . . . 68 . . . 6956 1 857 . 1 1 106 106 ILE N N 15 119.990 . . 1 . . . . 68 . . . 6956 1 858 . 1 1 107 107 ASP H H 1 7.612 . . 1 . . . . 69 . . . 6956 1 859 . 1 1 107 107 ASP HA H 1 4.423 . . 1 . . . . 69 . . . 6956 1 860 . 1 1 107 107 ASP HB2 H 1 3.095 . . 2 . . . . 69 . . . 6956 1 861 . 1 1 107 107 ASP HB3 H 1 2.929 . . 2 . . . . 69 . . . 6956 1 862 . 1 1 107 107 ASP CA C 13 57.618 . . 1 . . . . 69 . . . 6956 1 863 . 1 1 107 107 ASP CB C 13 41.919 . . 1 . . . . 69 . . . 6956 1 864 . 1 1 107 107 ASP N N 15 118.468 . . 1 . . . . 69 . . . 6956 1 865 . 1 1 108 108 TYR H H 1 8.244 . . 1 . . . . 70 . . . 6956 1 866 . 1 1 108 108 TYR HA H 1 3.970 . . 1 . . . . 70 . . . 6956 1 867 . 1 1 108 108 TYR HB2 H 1 3.264 . . 2 . . . . 70 . . . 6956 1 868 . 1 1 108 108 TYR HB3 H 1 2.674 . . 2 . . . . 70 . . . 6956 1 869 . 1 1 108 108 TYR HD1 H 1 7.200 . . 3 . . . . 70 . . . 6956 1 870 . 1 1 108 108 TYR HE1 H 1 6.700 . . 3 . . . . 70 . . . 6956 1 871 . 1 1 108 108 TYR C C 13 175.318 . . 1 . . . . 70 . . . 6956 1 872 . 1 1 108 108 TYR CA C 13 62.532 . . 1 . . . . 70 . . . 6956 1 873 . 1 1 108 108 TYR CB C 13 38.107 . . 1 . . . . 70 . . . 6956 1 874 . 1 1 108 108 TYR CD1 C 13 133.800 . . 3 . . . . 70 . . . 6956 1 875 . 1 1 108 108 TYR CE1 C 13 118.631 . . 3 . . . . 70 . . . 6956 1 876 . 1 1 108 108 TYR N N 15 118.823 . . 1 . . . . 70 . . . 6956 1 877 . 1 1 109 109 LYS H H 1 9.348 . . 1 . . . . 71 . . . 6956 1 878 . 1 1 109 109 LYS HA H 1 4.180 . . 1 . . . . 71 . . . 6956 1 879 . 1 1 109 109 LYS HB2 H 1 2.135 . . 2 . . . . 71 . . . 6956 1 880 . 1 1 109 109 LYS HB3 H 1 2.400 . . 2 . . . . 71 . . . 6956 1 881 . 1 1 109 109 LYS HG2 H 1 1.930 . . 2 . . . . 71 . . . 6956 1 882 . 1 1 109 109 LYS HG3 H 1 1.780 . . 2 . . . . 71 . . . 6956 1 883 . 1 1 109 109 LYS HD2 H 1 1.965 . . 2 . . . . 71 . . . 6956 1 884 . 1 1 109 109 LYS HD3 H 1 1.479 . . 2 . . . . 71 . . . 6956 1 885 . 1 1 109 109 LYS HE2 H 1 3.135 . . 1 . . . . 71 . . . 6956 1 886 . 1 1 109 109 LYS HE3 H 1 3.135 . . 1 . . . . 71 . . . 6956 1 887 . 1 1 109 109 LYS C C 13 178.059 . . 1 . . . . 71 . . . 6956 1 888 . 1 1 109 109 LYS CA C 13 60.483 . . 1 . . . . 71 . . . 6956 1 889 . 1 1 109 109 LYS CB C 13 33.720 . . 1 . . . . 71 . . . 6956 1 890 . 1 1 109 109 LYS CG C 13 24.374 . . 1 . . . . 71 . . . 6956 1 891 . 1 1 109 109 LYS CD C 13 30.637 . . 1 . . . . 71 . . . 6956 1 892 . 1 1 109 109 LYS CE C 13 42.457 . . 1 . . . . 71 . . . 6956 1 893 . 1 1 109 109 LYS N N 15 122.944 . . 1 . . . . 71 . . . 6956 1 894 . 1 1 110 110 GLU H H 1 9.350 . . 1 . . . . 72 . . . 6956 1 895 . 1 1 110 110 GLU HA H 1 4.160 . . 1 . . . . 72 . . . 6956 1 896 . 1 1 110 110 GLU HB2 H 1 2.158 . . 2 . . . . 72 . . . 6956 1 897 . 1 1 110 110 GLU HB3 H 1 2.300 . . 2 . . . . 72 . . . 6956 1 898 . 1 1 110 110 GLU HG2 H 1 2.437 . . 2 . . . . 72 . . . 6956 1 899 . 1 1 110 110 GLU HG3 H 1 2.742 . . 2 . . . . 72 . . . 6956 1 900 . 1 1 110 110 GLU C C 13 176.162 . . 1 . . . . 72 . . . 6956 1 901 . 1 1 110 110 GLU CA C 13 59.260 . . 1 . . . . 72 . . . 6956 1 902 . 1 1 110 110 GLU CB C 13 28.780 . . 1 . . . . 72 . . . 6956 1 903 . 1 1 110 110 GLU CG C 13 37.082 . . 1 . . . . 72 . . . 6956 1 904 . 1 1 110 110 GLU N N 15 121.228 . . 1 . . . . 72 . . . 6956 1 905 . 1 1 111 111 ARG H H 1 7.632 . . 1 . . . . 73 . . . 6956 1 906 . 1 1 111 111 ARG HA H 1 4.300 . . 1 . . . . 73 . . . 6956 1 907 . 1 1 111 111 ARG HB2 H 1 1.969 . . 1 . . . . 73 . . . 6956 1 908 . 1 1 111 111 ARG HB3 H 1 1.969 . . 1 . . . . 73 . . . 6956 1 909 . 1 1 111 111 ARG HG2 H 1 1.943 . . 2 . . . . 73 . . . 6956 1 910 . 1 1 111 111 ARG HG3 H 1 1.575 . . 2 . . . . 73 . . . 6956 1 911 . 1 1 111 111 ARG HD2 H 1 3.080 . . 1 . . . . 73 . . . 6956 1 912 . 1 1 111 111 ARG HD3 H 1 3.080 . . 1 . . . . 73 . . . 6956 1 913 . 1 1 111 111 ARG HE H 1 7.315 . . 1 . . . . 73 . . . 6956 1 914 . 1 1 111 111 ARG C C 13 171.691 . . 1 . . . . 73 . . . 6956 1 915 . 1 1 111 111 ARG CA C 13 56.650 . . 1 . . . . 73 . . . 6956 1 916 . 1 1 111 111 ARG CB C 13 31.144 . . 1 . . . . 73 . . . 6956 1 917 . 1 1 111 111 ARG CG C 13 28.194 . . 1 . . . . 73 . . . 6956 1 918 . 1 1 111 111 ARG CD C 13 44.231 . . 1 . . . . 73 . . . 6956 1 919 . 1 1 111 111 ARG N N 15 117.225 . . 1 . . . . 73 . . . 6956 1 920 . 1 1 111 111 ARG NE N 15 85.540 . . 1 . . . . 73 . . . 6956 1 921 . 1 1 112 112 ASP H H 1 8.198 . . 1 . . . . 74 . . . 6956 1 922 . 1 1 112 112 ASP HA H 1 4.620 . . 1 . . . . 74 . . . 6956 1 923 . 1 1 112 112 ASP HB2 H 1 3.240 . . 2 . . . . 74 . . . 6956 1 924 . 1 1 112 112 ASP HB3 H 1 2.422 . . 2 . . . . 74 . . . 6956 1 925 . 1 1 112 112 ASP C C 13 173.310 . . 1 . . . . 74 . . . 6956 1 926 . 1 1 112 112 ASP CA C 13 54.782 . . 1 . . . . 74 . . . 6956 1 927 . 1 1 112 112 ASP CB C 13 39.763 . . 1 . . . . 74 . . . 6956 1 928 . 1 1 112 112 ASP N N 15 119.093 . . 1 . . . . 74 . . . 6956 1 929 . 1 1 113 113 LEU H H 1 8.557 . . 1 . . . . 75 . . . 6956 1 930 . 1 1 113 113 LEU HA H 1 4.439 . . 1 . . . . 75 . . . 6956 1 931 . 1 1 113 113 LEU HB2 H 1 1.514 . . 2 . . . . 75 . . . 6956 1 932 . 1 1 113 113 LEU HB3 H 1 1.300 . . 2 . . . . 75 . . . 6956 1 933 . 1 1 113 113 LEU HG H 1 1.328 . . 1 . . . . 75 . . . 6956 1 934 . 1 1 113 113 LEU HD11 H 1 0.712 . . 4 . . . . 75 . . . 6956 1 935 . 1 1 113 113 LEU HD12 H 1 0.712 . . 4 . . . . 75 . . . 6956 1 936 . 1 1 113 113 LEU HD13 H 1 0.712 . . 4 . . . . 75 . . . 6956 1 937 . 1 1 113 113 LEU HD21 H 1 0.291 . . 4 . . . . 75 . . . 6956 1 938 . 1 1 113 113 LEU HD22 H 1 0.291 . . 4 . . . . 75 . . . 6956 1 939 . 1 1 113 113 LEU HD23 H 1 0.291 . . 4 . . . . 75 . . . 6956 1 940 . 1 1 113 113 LEU C C 13 174.804 . . 1 . . . . 75 . . . 6956 1 941 . 1 1 113 113 LEU CA C 13 54.318 . . 1 . . . . 75 . . . 6956 1 942 . 1 1 113 113 LEU CB C 13 43.564 . . 1 . . . . 75 . . . 6956 1 943 . 1 1 113 113 LEU CG C 13 25.826 . . 1 . . . . 75 . . . 6956 1 944 . 1 1 113 113 LEU CD1 C 13 22.055 . . 1 . . . . 75 . . . 6956 1 945 . 1 1 113 113 LEU CD2 C 13 24.599 . . 1 . . . . 75 . . . 6956 1 946 . 1 1 113 113 LEU N N 15 115.187 . . 1 . . . . 75 . . . 6956 1 947 . 1 1 114 114 ILE H H 1 7.517 . . 1 . . . . 76 . . . 6956 1 948 . 1 1 114 114 ILE HA H 1 4.280 . . 1 . . . . 76 . . . 6956 1 949 . 1 1 114 114 ILE HB H 1 1.950 . . 1 . . . . 76 . . . 6956 1 950 . 1 1 114 114 ILE HG12 H 1 1.660 . . 1 . . . . 76 . . . 6956 1 951 . 1 1 114 114 ILE HG13 H 1 1.660 . . 1 . . . . 76 . . . 6956 1 952 . 1 1 114 114 ILE HG21 H 1 0.716 . . 1 . . . . 76 . . . 6956 1 953 . 1 1 114 114 ILE HG22 H 1 0.716 . . 1 . . . . 76 . . . 6956 1 954 . 1 1 114 114 ILE HG23 H 1 0.716 . . 1 . . . . 76 . . . 6956 1 955 . 1 1 114 114 ILE HD11 H 1 0.825 . . 1 . . . . 76 . . . 6956 1 956 . 1 1 114 114 ILE HD12 H 1 0.825 . . 1 . . . . 76 . . . 6956 1 957 . 1 1 114 114 ILE HD13 H 1 0.825 . . 1 . . . . 76 . . . 6956 1 958 . 1 1 114 114 ILE C C 13 173.815 . . 1 . . . . 76 . . . 6956 1 959 . 1 1 114 114 ILE CA C 13 61.146 . . 1 . . . . 76 . . . 6956 1 960 . 1 1 114 114 ILE CB C 13 38.346 . . 1 . . . . 76 . . . 6956 1 961 . 1 1 114 114 ILE CG1 C 13 29.824 . . 2 . . . . 76 . . . 6956 1 962 . 1 1 114 114 ILE CG2 C 13 16.551 . . 1 . . . . 76 . . . 6956 1 963 . 1 1 114 114 ILE CD1 C 13 14.254 . . 1 . . . . 76 . . . 6956 1 964 . 1 1 114 114 ILE N N 15 120.524 . . 1 . . . . 76 . . . 6956 1 965 . 1 1 115 115 ASP H H 1 9.464 . . 1 . . . . 77 . . . 6956 1 966 . 1 1 115 115 ASP HA H 1 4.400 . . 1 . . . . 77 . . . 6956 1 967 . 1 1 115 115 ASP HB2 H 1 2.807 . . 2 . . . . 77 . . . 6956 1 968 . 1 1 115 115 ASP HB3 H 1 2.552 . . 2 . . . . 77 . . . 6956 1 969 . 1 1 115 115 ASP C C 13 174.249 . . 1 . . . . 77 . . . 6956 1 970 . 1 1 115 115 ASP CA C 13 55.997 . . 1 . . . . 77 . . . 6956 1 971 . 1 1 115 115 ASP CB C 13 43.790 . . 1 . . . . 77 . . . 6956 1 972 . 1 1 115 115 ASP N N 15 131.522 . . 1 . . . . 77 . . . 6956 1 973 . 1 1 116 116 ARG H H 1 8.840 . . 1 . . . . 78 . . . 6956 1 974 . 1 1 116 116 ARG HA H 1 4.330 . . 1 . . . . 78 . . . 6956 1 975 . 1 1 116 116 ARG HB2 H 1 2.035 . . 1 . . . . 78 . . . 6956 1 976 . 1 1 116 116 ARG HB3 H 1 2.035 . . 1 . . . . 78 . . . 6956 1 977 . 1 1 116 116 ARG HG2 H 1 1.890 . . 1 . . . . 78 . . . 6956 1 978 . 1 1 116 116 ARG HG3 H 1 1.890 . . 1 . . . . 78 . . . 6956 1 979 . 1 1 116 116 ARG HD2 H 1 3.210 . . 2 . . . . 78 . . . 6956 1 980 . 1 1 116 116 ARG HD3 H 1 3.168 . . 2 . . . . 78 . . . 6956 1 981 . 1 1 116 116 ARG HE H 1 7.252 . . 1 . . . . 78 . . . 6956 1 982 . 1 1 116 116 ARG C C 13 175.659 . . 1 . . . . 78 . . . 6956 1 983 . 1 1 116 116 ARG CA C 13 58.248 . . 1 . . . . 78 . . . 6956 1 984 . 1 1 116 116 ARG CB C 13 29.167 . . 1 . . . . 78 . . . 6956 1 985 . 1 1 116 116 ARG CG C 13 26.330 . . 1 . . . . 78 . . . 6956 1 986 . 1 1 116 116 ARG CD C 13 42.428 . . 1 . . . . 78 . . . 6956 1 987 . 1 1 116 116 ARG N N 15 120.524 . . 1 . . . . 78 . . . 6956 1 988 . 1 1 116 116 ARG NE N 15 82.494 . . 1 . . . . 78 . . . 6956 1 989 . 1 1 117 117 SER H H 1 9.087 . . 1 . . . . 79 . . . 6956 1 990 . 1 1 117 117 SER HA H 1 4.430 . . 1 . . . . 79 . . . 6956 1 991 . 1 1 117 117 SER HB2 H 1 3.969 . . 2 . . . . 79 . . . 6956 1 992 . 1 1 117 117 SER HB3 H 1 4.000 . . 2 . . . . 79 . . . 6956 1 993 . 1 1 117 117 SER C C 13 172.538 . . 1 . . . . 79 . . . 6956 1 994 . 1 1 117 117 SER CA C 13 60.794 . . 1 . . . . 79 . . . 6956 1 995 . 1 1 117 117 SER CB C 13 63.103 . . 1 . . . . 79 . . . 6956 1 996 . 1 1 117 117 SER N N 15 116.017 . . 1 . . . . 79 . . . 6956 1 997 . 1 1 118 118 ALA H H 1 8.410 . . 1 . . . . 80 . . . 6956 1 998 . 1 1 118 118 ALA HA H 1 4.135 . . 1 . . . . 80 . . . 6956 1 999 . 1 1 118 118 ALA HB1 H 1 1.107 . . 1 . . . . 80 . . . 6956 1 1000 . 1 1 118 118 ALA HB2 H 1 1.107 . . 1 . . . . 80 . . . 6956 1 1001 . 1 1 118 118 ALA HB3 H 1 1.107 . . 1 . . . . 80 . . . 6956 1 1002 . 1 1 118 118 ALA C C 13 174.299 . . 1 . . . . 80 . . . 6956 1 1003 . 1 1 118 118 ALA CA C 13 54.154 . . 1 . . . . 80 . . . 6956 1 1004 . 1 1 118 118 ALA CB C 13 19.848 . . 1 . . . . 80 . . . 6956 1 1005 . 1 1 118 118 ALA N N 15 122.761 . . 1 . . . . 80 . . . 6956 1 1006 . 1 1 119 119 TYR H H 1 7.695 . . 1 . . . . 81 . . . 6956 1 1007 . 1 1 119 119 TYR HA H 1 4.363 . . 1 . . . . 81 . . . 6956 1 1008 . 1 1 119 119 TYR HB2 H 1 3.013 . . 2 . . . . 81 . . . 6956 1 1009 . 1 1 119 119 TYR HB3 H 1 3.188 . . 2 . . . . 81 . . . 6956 1 1010 . 1 1 119 119 TYR HD1 H 1 7.330 . . 3 . . . . 81 . . . 6956 1 1011 . 1 1 119 119 TYR HE1 H 1 6.730 . . 3 . . . . 81 . . . 6956 1 1012 . 1 1 119 119 TYR CA C 13 61.461 . . 1 . . . . 81 . . . 6956 1 1013 . 1 1 119 119 TYR CB C 13 39.093 . . 1 . . . . 81 . . . 6956 1 1014 . 1 1 119 119 TYR CD1 C 13 133.812 . . 3 . . . . 81 . . . 6956 1 1015 . 1 1 119 119 TYR N N 15 123.260 . . 1 . . . . 81 . . . 6956 1 stop_ save_ save_chemical_shift_set_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_2 _Assigned_chem_shift_list.Entry_ID 6956 _Assigned_chem_shift_list.ID 2 _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 . 6956 2 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 . 2 2 8 8 C H5 H 1 5.890 . . 2 . . . . . . . . 6956 2 2 . 2 2 8 8 C H6 H 1 7.470 . . 2 . . . . . . . . 6956 2 3 . 2 2 8 8 C H1' H 1 5.800 . . 1 . . . . . . . . 6956 2 4 . 2 2 8 8 C H2' H 1 4.330 . . 1 . . . . . . . . 6956 2 5 . 2 2 8 8 C H3' H 1 4.980 . . 1 . . . . . . . . 6956 2 6 . 2 2 8 8 C H4' H 1 4.430 . . 1 . . . . . . . . 6956 2 7 . 2 2 8 8 C H5' H 1 4.090 . . 1 . . . . . . . . 6956 2 8 . 2 2 8 8 C H5'' H 1 4.420 . . 1 . . . . . . . . 6956 2 9 . 2 2 9 9 U H5 H 1 5.980 . . 1 . . . . . . . . 6956 2 10 . 2 2 9 9 U H6 H 1 8.130 . . 1 . . . . . . . . 6956 2 11 . 2 2 9 9 U H1' H 1 6.130 . . 1 . . . . . . . . 6956 2 12 . 2 2 9 9 U H2' H 1 4.560 . . 1 . . . . . . . . 6956 2 13 . 2 2 9 9 U H3' H 1 4.620 . . 1 . . . . . . . . 6956 2 14 . 2 2 9 9 U H4' H 1 3.780 . . 1 . . . . . . . . 6956 2 15 . 2 2 9 9 U H5' H 1 3.750 . . 1 . . . . . . . . 6956 2 16 . 2 2 9 9 U H5'' H 1 3.930 . . 1 . . . . . . . . 6956 2 17 . 2 2 10 10 G H8 H 1 7.980 . . 2 . . . . . . . . 6956 2 18 . 2 2 10 10 G H21 H 1 7.060 . . 4 . . . . . . . . 6956 2 19 . 2 2 10 10 G H22 H 1 6.770 . . 4 . . . . . . . . 6956 2 20 . 2 2 10 10 G H1 H 1 11.120 . . 2 . . . . . . . . 6956 2 21 . 2 2 10 10 G H1' H 1 5.020 . . 1 . . . . . . . . 6956 2 22 . 2 2 10 10 G H2' H 1 4.690 . . 1 . . . . . . . . 6956 2 23 . 2 2 10 10 G H3' H 1 4.310 . . 1 . . . . . . . . 6956 2 24 . 2 2 10 10 G H4' H 1 3.460 . . 1 . . . . . . . . 6956 2 25 . 2 2 10 10 G H5' H 1 3.760 . . 1 . . . . . . . . 6956 2 26 . 2 2 10 10 G H5'' H 1 4.330 . . 1 . . . . . . . . 6956 2 27 . 2 2 11 11 G H8 H 1 7.770 . . 2 . . . . . . . . 6956 2 28 . 2 2 11 11 G H1' H 1 5.830 . . 1 . . . . . . . . 6956 2 29 . 2 2 11 11 G H2' H 1 5.010 . . 1 . . . . . . . . 6956 2 30 . 2 2 11 11 G H3' H 1 5.080 . . 1 . . . . . . . . 6956 2 31 . 2 2 11 11 G H4' H 1 4.340 . . 1 . . . . . . . . 6956 2 32 . 2 2 11 11 G H5' H 1 3.740 . . 1 . . . . . . . . 6956 2 33 . 2 2 11 11 G H5'' H 1 4.340 . . 1 . . . . . . . . 6956 2 stop_ save_