data_7024 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7024 _Entry.Title ; Resonance assignments of the 34kD rabbitpox vCCI:human MIP-1b complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-03-20 _Entry.Accession_date 2006-03-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Li Zhang . . . 7024 2 Patricia LiWang . . . 7024 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . TAMU . 7024 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7024 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 782 7024 '15N chemical shifts' 270 7024 '1H chemical shifts' 610 7024 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2006-03-20 update BMRB 'complete entry citation' 7024 1 . . 2006-08-07 2006-03-20 original author 'original release' 7024 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6809 'unliganded vCCI' 7024 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7024 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16804766 _Citation.Full_citation . _Citation.Title 'Resonance assignments of the 34 kD rabbitpox vCCI:human MIP-1beta complex' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 49 _Citation.Page_last 49 _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 Li Zhang . . . 7024 1 2 Patricia LiWang . J. . 7024 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7024 _Assembly.ID 1 _Assembly.Name 'rabbitpox vCCI:human MIP-1b complex' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 33748 _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 'protein-protein complex' 7024 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 'human MIP-1b' 1 $human_MIP-1b . . yes native no no . 'binding partner' . 7024 1 2 'rabbitpox vCCI' 2 $rabbitpox_vCCI . . yes native no no . 'binding partner' . 7024 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 35 35 SG . . . . . . . . . . 7024 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 51 51 SG . . . . . . . . . . 7024 1 3 disulfide single . 2 . 2 CYS 15 15 SG . 2 . 2 CYS 203 203 SG . . . . . . . . . . 7024 1 4 disulfide single . 2 . 2 CYS 45 45 SG . 2 . 2 CYS 241 241 SG . . . . . . . . . . 7024 1 5 disulfide single . 2 . 2 CYS 97 97 SG . 2 . 2 CYS 142 142 SG . . . . . . . . . . 7024 1 6 disulfide single . 2 . 2 CYS 150 150 SG . 2 . 2 CYS 189 189 SG . . . . . . . . . . 7024 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID 'rabbitpox vCCI:human MIP-1b complex' 7024 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_human_MIP-1b _Entity.Sf_category entity _Entity.Sf_framecode human_MIP-1b _Entity.Entry_ID 7024 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'human MIP-1b' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details '45AASA48 mutant' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; APMGSDPPTACCFSYTARKL PRNFVVDYYETSSLCSQPAV VFQTAASAQVCADPSESWVQ EYVYDLELN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7619 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details '45AASA48 mutant' _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 6809 . monomer . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 7024 1 2 no PDB 2FFK . "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Minimized Average S" . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 7024 1 3 no PDB 2FIN . "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Ensemble Structure" . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 7024 1 4 no DBJ BAA00487 . "35K major secreted protein [Vaccinia virus]" . . . . . 100.00 258 99.17 99.59 7.76e-170 . . . . 7024 1 5 no EMBL CAA64086 . "D1L protein [Cowpox virus]" . . . . . 100.00 255 97.52 97.93 2.03e-165 . . . . 7024 1 6 no EMBL CAD90757 . "I5R protein [Cowpox virus]" . . . . . 100.00 255 97.52 97.93 2.03e-165 . . . . 7024 1 7 no EMBL CAM58165 . "viral chemokine binding protein [Vaccinia virus Ankara]" . . . . . 100.00 241 97.93 98.76 4.26e-166 . . . . 7024 1 8 no EMBL CAM58393 . "viral chemokine binding protein [Vaccinia virus Ankara]" . . . . . 100.00 241 97.93 98.76 4.26e-166 . . . . 7024 1 9 no GB AAA47970 . "putative C23L [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 7024 1 10 no GB AAA48229 . "putative B29R [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 7024 1 11 no GB AAB53969 . "35kDa major secreted protein [Rabbitpox virus]" . . . . . 100.00 258 100.00 100.00 1.14e-171 . . . . 7024 1 12 no GB AAF33853 . "TC20L [Vaccinia virus Tian Tan]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 7024 1 13 no GB AAF34094 . "TB23R [Vaccinia virus Tian Tan]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 7024 1 14 no REF YP_232883 . "chemokine-binding protein [Vaccinia virus]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 7024 1 15 no REF YP_233100 . "chemokine-binding protein [Vaccinia virus]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 7024 1 16 no SP P19063 . "RecName: Full=Chemokine-binding protein; Short=vCKBP; AltName: Full=35 kDa protein; Flags: Precursor [Vaccinia virus Lister]" . . . . . 100.00 258 99.17 99.59 7.76e-170 . . . . 7024 1 17 no SP P21090 . "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 7024 1 18 no SP Q805H7 . "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus WR]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 7024 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID chemotaxis 7024 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID chemokine . 7024 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 . ALA . 7024 1 2 . PRO . 7024 1 3 . MET . 7024 1 4 . GLY . 7024 1 5 . SER . 7024 1 6 . ASP . 7024 1 7 . PRO . 7024 1 8 . PRO . 7024 1 9 . THR . 7024 1 10 . ALA . 7024 1 11 . CYS . 7024 1 12 . CYS . 7024 1 13 . PHE . 7024 1 14 . SER . 7024 1 15 . TYR . 7024 1 16 . THR . 7024 1 17 . ALA . 7024 1 18 . ARG . 7024 1 19 . LYS . 7024 1 20 . LEU . 7024 1 21 . PRO . 7024 1 22 . ARG . 7024 1 23 . ASN . 7024 1 24 . PHE . 7024 1 25 . VAL . 7024 1 26 . VAL . 7024 1 27 . ASP . 7024 1 28 . TYR . 7024 1 29 . TYR . 7024 1 30 . GLU . 7024 1 31 . THR . 7024 1 32 . SER . 7024 1 33 . SER . 7024 1 34 . LEU . 7024 1 35 . CYS . 7024 1 36 . SER . 7024 1 37 . GLN . 7024 1 38 . PRO . 7024 1 39 . ALA . 7024 1 40 . VAL . 7024 1 41 . VAL . 7024 1 42 . PHE . 7024 1 43 . GLN . 7024 1 44 . THR . 7024 1 45 . ALA . 7024 1 46 . ALA . 7024 1 47 . SER . 7024 1 48 . ALA . 7024 1 49 . GLN . 7024 1 50 . VAL . 7024 1 51 . CYS . 7024 1 52 . ALA . 7024 1 53 . ASP . 7024 1 54 . PRO . 7024 1 55 . SER . 7024 1 56 . GLU . 7024 1 57 . SER . 7024 1 58 . TRP . 7024 1 59 . VAL . 7024 1 60 . GLN . 7024 1 61 . GLU . 7024 1 62 . TYR . 7024 1 63 . VAL . 7024 1 64 . TYR . 7024 1 65 . ASP . 7024 1 66 . LEU . 7024 1 67 . GLU . 7024 1 68 . LEU . 7024 1 69 . ASN . 7024 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 7024 1 . PRO 2 2 7024 1 . MET 3 3 7024 1 . GLY 4 4 7024 1 . SER 5 5 7024 1 . ASP 6 6 7024 1 . PRO 7 7 7024 1 . PRO 8 8 7024 1 . THR 9 9 7024 1 . ALA 10 10 7024 1 . CYS 11 11 7024 1 . CYS 12 12 7024 1 . PHE 13 13 7024 1 . SER 14 14 7024 1 . TYR 15 15 7024 1 . THR 16 16 7024 1 . ALA 17 17 7024 1 . ARG 18 18 7024 1 . LYS 19 19 7024 1 . LEU 20 20 7024 1 . PRO 21 21 7024 1 . ARG 22 22 7024 1 . ASN 23 23 7024 1 . PHE 24 24 7024 1 . VAL 25 25 7024 1 . VAL 26 26 7024 1 . ASP 27 27 7024 1 . TYR 28 28 7024 1 . TYR 29 29 7024 1 . GLU 30 30 7024 1 . THR 31 31 7024 1 . SER 32 32 7024 1 . SER 33 33 7024 1 . LEU 34 34 7024 1 . CYS 35 35 7024 1 . SER 36 36 7024 1 . GLN 37 37 7024 1 . PRO 38 38 7024 1 . ALA 39 39 7024 1 . VAL 40 40 7024 1 . VAL 41 41 7024 1 . PHE 42 42 7024 1 . GLN 43 43 7024 1 . THR 44 44 7024 1 . ALA 45 45 7024 1 . ALA 46 46 7024 1 . SER 47 47 7024 1 . ALA 48 48 7024 1 . GLN 49 49 7024 1 . VAL 50 50 7024 1 . CYS 51 51 7024 1 . ALA 52 52 7024 1 . ASP 53 53 7024 1 . PRO 54 54 7024 1 . SER 55 55 7024 1 . GLU 56 56 7024 1 . SER 57 57 7024 1 . TRP 58 58 7024 1 . VAL 59 59 7024 1 . GLN 60 60 7024 1 . GLU 61 61 7024 1 . TYR 62 62 7024 1 . VAL 63 63 7024 1 . TYR 64 64 7024 1 . ASP 65 65 7024 1 . LEU 66 66 7024 1 . GLU 67 67 7024 1 . LEU 68 68 7024 1 . ASN 69 69 7024 1 stop_ save_ save_rabbitpox_vCCI _Entity.Sf_category entity _Entity.Sf_framecode rabbitpox_vCCI _Entity.Entry_ID 7024 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 'rabbitpox vCCI' _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 ; MPASLQQSSSSSSSCTEEEN KHHMGIDVIIKVTKQDQTPT NDKICQSVTEITESESDPDP EVESEDDSTSVEDVDPPTTY YSIIGGGLRMNFGFTKCPQI KSISESADGNTVNARLSSVS PGQGKDSPAITHEEALAMIK DCEVSIDIRCSEEEKDSDIK THPVLGSNISHKKVSYEDII GSTIVDTKCVKNLEFSVRIG DMCKESSELEVKDGFKYVDG SASKGATDDTSLIDSTKLKA CV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 242 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 26129 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'inhibit CC chemokine' 7024 2 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID T1/p35 . 7024 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 . MET . 7024 2 2 . PRO . 7024 2 3 . ALA . 7024 2 4 . SER . 7024 2 5 . LEU . 7024 2 6 . GLN . 7024 2 7 . GLN . 7024 2 8 . SER . 7024 2 9 . SER . 7024 2 10 . SER . 7024 2 11 . SER . 7024 2 12 . SER . 7024 2 13 . SER . 7024 2 14 . SER . 7024 2 15 . CYS . 7024 2 16 . THR . 7024 2 17 . GLU . 7024 2 18 . GLU . 7024 2 19 . GLU . 7024 2 20 . ASN . 7024 2 21 . LYS . 7024 2 22 . HIS . 7024 2 23 . HIS . 7024 2 24 . MET . 7024 2 25 . GLY . 7024 2 26 . ILE . 7024 2 27 . ASP . 7024 2 28 . VAL . 7024 2 29 . ILE . 7024 2 30 . ILE . 7024 2 31 . LYS . 7024 2 32 . VAL . 7024 2 33 . THR . 7024 2 34 . LYS . 7024 2 35 . GLN . 7024 2 36 . ASP . 7024 2 37 . GLN . 7024 2 38 . THR . 7024 2 39 . PRO . 7024 2 40 . THR . 7024 2 41 . ASN . 7024 2 42 . ASP . 7024 2 43 . LYS . 7024 2 44 . ILE . 7024 2 45 . CYS . 7024 2 46 . GLN . 7024 2 47 . SER . 7024 2 48 . VAL . 7024 2 49 . THR . 7024 2 50 . GLU . 7024 2 51 . ILE . 7024 2 52 . THR . 7024 2 53 . GLU . 7024 2 54 . SER . 7024 2 55 . GLU . 7024 2 56 . SER . 7024 2 57 . ASP . 7024 2 58 . PRO . 7024 2 59 . ASP . 7024 2 60 . PRO . 7024 2 61 . GLU . 7024 2 62 . VAL . 7024 2 63 . GLU . 7024 2 64 . SER . 7024 2 65 . GLU . 7024 2 66 . ASP . 7024 2 67 . ASP . 7024 2 68 . SER . 7024 2 69 . THR . 7024 2 70 . SER . 7024 2 71 . VAL . 7024 2 72 . GLU . 7024 2 73 . ASP . 7024 2 74 . VAL . 7024 2 75 . ASP . 7024 2 76 . PRO . 7024 2 77 . PRO . 7024 2 78 . THR . 7024 2 79 . THR . 7024 2 80 . TYR . 7024 2 81 . TYR . 7024 2 82 . SER . 7024 2 83 . ILE . 7024 2 84 . ILE . 7024 2 85 . GLY . 7024 2 86 . GLY . 7024 2 87 . GLY . 7024 2 88 . LEU . 7024 2 89 . ARG . 7024 2 90 . MET . 7024 2 91 . ASN . 7024 2 92 . PHE . 7024 2 93 . GLY . 7024 2 94 . PHE . 7024 2 95 . THR . 7024 2 96 . LYS . 7024 2 97 . CYS . 7024 2 98 . PRO . 7024 2 99 . GLN . 7024 2 100 . ILE . 7024 2 101 . LYS . 7024 2 102 . SER . 7024 2 103 . ILE . 7024 2 104 . SER . 7024 2 105 . GLU . 7024 2 106 . SER . 7024 2 107 . ALA . 7024 2 108 . ASP . 7024 2 109 . GLY . 7024 2 110 . ASN . 7024 2 111 . THR . 7024 2 112 . VAL . 7024 2 113 . ASN . 7024 2 114 . ALA . 7024 2 115 . ARG . 7024 2 116 . LEU . 7024 2 117 . SER . 7024 2 118 . SER . 7024 2 119 . VAL . 7024 2 120 . SER . 7024 2 121 . PRO . 7024 2 122 . GLY . 7024 2 123 . GLN . 7024 2 124 . GLY . 7024 2 125 . LYS . 7024 2 126 . ASP . 7024 2 127 . SER . 7024 2 128 . PRO . 7024 2 129 . ALA . 7024 2 130 . ILE . 7024 2 131 . THR . 7024 2 132 . HIS . 7024 2 133 . GLU . 7024 2 134 . GLU . 7024 2 135 . ALA . 7024 2 136 . LEU . 7024 2 137 . ALA . 7024 2 138 . MET . 7024 2 139 . ILE . 7024 2 140 . LYS . 7024 2 141 . ASP . 7024 2 142 . CYS . 7024 2 143 . GLU . 7024 2 144 . VAL . 7024 2 145 . SER . 7024 2 146 . ILE . 7024 2 147 . ASP . 7024 2 148 . ILE . 7024 2 149 . ARG . 7024 2 150 . CYS . 7024 2 151 . SER . 7024 2 152 . GLU . 7024 2 153 . GLU . 7024 2 154 . GLU . 7024 2 155 . LYS . 7024 2 156 . ASP . 7024 2 157 . SER . 7024 2 158 . ASP . 7024 2 159 . ILE . 7024 2 160 . LYS . 7024 2 161 . THR . 7024 2 162 . HIS . 7024 2 163 . PRO . 7024 2 164 . VAL . 7024 2 165 . LEU . 7024 2 166 . GLY . 7024 2 167 . SER . 7024 2 168 . ASN . 7024 2 169 . ILE . 7024 2 170 . SER . 7024 2 171 . HIS . 7024 2 172 . LYS . 7024 2 173 . LYS . 7024 2 174 . VAL . 7024 2 175 . SER . 7024 2 176 . TYR . 7024 2 177 . GLU . 7024 2 178 . ASP . 7024 2 179 . ILE . 7024 2 180 . ILE . 7024 2 181 . GLY . 7024 2 182 . SER . 7024 2 183 . THR . 7024 2 184 . ILE . 7024 2 185 . VAL . 7024 2 186 . ASP . 7024 2 187 . THR . 7024 2 188 . LYS . 7024 2 189 . CYS . 7024 2 190 . VAL . 7024 2 191 . LYS . 7024 2 192 . ASN . 7024 2 193 . LEU . 7024 2 194 . GLU . 7024 2 195 . PHE . 7024 2 196 . SER . 7024 2 197 . VAL . 7024 2 198 . ARG . 7024 2 199 . ILE . 7024 2 200 . GLY . 7024 2 201 . ASP . 7024 2 202 . MET . 7024 2 203 . CYS . 7024 2 204 . LYS . 7024 2 205 . GLU . 7024 2 206 . SER . 7024 2 207 . SER . 7024 2 208 . GLU . 7024 2 209 . LEU . 7024 2 210 . GLU . 7024 2 211 . VAL . 7024 2 212 . LYS . 7024 2 213 . ASP . 7024 2 214 . GLY . 7024 2 215 . PHE . 7024 2 216 . LYS . 7024 2 217 . TYR . 7024 2 218 . VAL . 7024 2 219 . ASP . 7024 2 220 . GLY . 7024 2 221 . SER . 7024 2 222 . ALA . 7024 2 223 . SER . 7024 2 224 . LYS . 7024 2 225 . GLY . 7024 2 226 . ALA . 7024 2 227 . THR . 7024 2 228 . ASP . 7024 2 229 . ASP . 7024 2 230 . THR . 7024 2 231 . SER . 7024 2 232 . LEU . 7024 2 233 . ILE . 7024 2 234 . ASP . 7024 2 235 . SER . 7024 2 236 . THR . 7024 2 237 . LYS . 7024 2 238 . LEU . 7024 2 239 . LYS . 7024 2 240 . ALA . 7024 2 241 . CYS . 7024 2 242 . VAL . 7024 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 . MET 1 1 7024 2 . PRO 2 2 7024 2 . ALA 3 3 7024 2 . SER 4 4 7024 2 . LEU 5 5 7024 2 . GLN 6 6 7024 2 . GLN 7 7 7024 2 . SER 8 8 7024 2 . SER 9 9 7024 2 . SER 10 10 7024 2 . SER 11 11 7024 2 . SER 12 12 7024 2 . SER 13 13 7024 2 . SER 14 14 7024 2 . CYS 15 15 7024 2 . THR 16 16 7024 2 . GLU 17 17 7024 2 . GLU 18 18 7024 2 . GLU 19 19 7024 2 . ASN 20 20 7024 2 . LYS 21 21 7024 2 . HIS 22 22 7024 2 . HIS 23 23 7024 2 . MET 24 24 7024 2 . GLY 25 25 7024 2 . ILE 26 26 7024 2 . ASP 27 27 7024 2 . VAL 28 28 7024 2 . ILE 29 29 7024 2 . ILE 30 30 7024 2 . LYS 31 31 7024 2 . VAL 32 32 7024 2 . THR 33 33 7024 2 . LYS 34 34 7024 2 . GLN 35 35 7024 2 . ASP 36 36 7024 2 . GLN 37 37 7024 2 . THR 38 38 7024 2 . PRO 39 39 7024 2 . THR 40 40 7024 2 . ASN 41 41 7024 2 . ASP 42 42 7024 2 . LYS 43 43 7024 2 . ILE 44 44 7024 2 . CYS 45 45 7024 2 . GLN 46 46 7024 2 . SER 47 47 7024 2 . VAL 48 48 7024 2 . THR 49 49 7024 2 . GLU 50 50 7024 2 . ILE 51 51 7024 2 . THR 52 52 7024 2 . GLU 53 53 7024 2 . SER 54 54 7024 2 . GLU 55 55 7024 2 . SER 56 56 7024 2 . ASP 57 57 7024 2 . PRO 58 58 7024 2 . ASP 59 59 7024 2 . PRO 60 60 7024 2 . GLU 61 61 7024 2 . VAL 62 62 7024 2 . GLU 63 63 7024 2 . SER 64 64 7024 2 . GLU 65 65 7024 2 . ASP 66 66 7024 2 . ASP 67 67 7024 2 . SER 68 68 7024 2 . THR 69 69 7024 2 . SER 70 70 7024 2 . VAL 71 71 7024 2 . GLU 72 72 7024 2 . ASP 73 73 7024 2 . VAL 74 74 7024 2 . ASP 75 75 7024 2 . PRO 76 76 7024 2 . PRO 77 77 7024 2 . THR 78 78 7024 2 . THR 79 79 7024 2 . TYR 80 80 7024 2 . TYR 81 81 7024 2 . SER 82 82 7024 2 . ILE 83 83 7024 2 . ILE 84 84 7024 2 . GLY 85 85 7024 2 . GLY 86 86 7024 2 . GLY 87 87 7024 2 . LEU 88 88 7024 2 . ARG 89 89 7024 2 . MET 90 90 7024 2 . ASN 91 91 7024 2 . PHE 92 92 7024 2 . GLY 93 93 7024 2 . PHE 94 94 7024 2 . THR 95 95 7024 2 . LYS 96 96 7024 2 . CYS 97 97 7024 2 . PRO 98 98 7024 2 . GLN 99 99 7024 2 . ILE 100 100 7024 2 . LYS 101 101 7024 2 . SER 102 102 7024 2 . ILE 103 103 7024 2 . SER 104 104 7024 2 . GLU 105 105 7024 2 . SER 106 106 7024 2 . ALA 107 107 7024 2 . ASP 108 108 7024 2 . GLY 109 109 7024 2 . ASN 110 110 7024 2 . THR 111 111 7024 2 . VAL 112 112 7024 2 . ASN 113 113 7024 2 . ALA 114 114 7024 2 . ARG 115 115 7024 2 . LEU 116 116 7024 2 . SER 117 117 7024 2 . SER 118 118 7024 2 . VAL 119 119 7024 2 . SER 120 120 7024 2 . PRO 121 121 7024 2 . GLY 122 122 7024 2 . GLN 123 123 7024 2 . GLY 124 124 7024 2 . LYS 125 125 7024 2 . ASP 126 126 7024 2 . SER 127 127 7024 2 . PRO 128 128 7024 2 . ALA 129 129 7024 2 . ILE 130 130 7024 2 . THR 131 131 7024 2 . HIS 132 132 7024 2 . GLU 133 133 7024 2 . GLU 134 134 7024 2 . ALA 135 135 7024 2 . LEU 136 136 7024 2 . ALA 137 137 7024 2 . MET 138 138 7024 2 . ILE 139 139 7024 2 . LYS 140 140 7024 2 . ASP 141 141 7024 2 . CYS 142 142 7024 2 . GLU 143 143 7024 2 . VAL 144 144 7024 2 . SER 145 145 7024 2 . ILE 146 146 7024 2 . ASP 147 147 7024 2 . ILE 148 148 7024 2 . ARG 149 149 7024 2 . CYS 150 150 7024 2 . SER 151 151 7024 2 . GLU 152 152 7024 2 . GLU 153 153 7024 2 . GLU 154 154 7024 2 . LYS 155 155 7024 2 . ASP 156 156 7024 2 . SER 157 157 7024 2 . ASP 158 158 7024 2 . ILE 159 159 7024 2 . LYS 160 160 7024 2 . THR 161 161 7024 2 . HIS 162 162 7024 2 . PRO 163 163 7024 2 . VAL 164 164 7024 2 . LEU 165 165 7024 2 . GLY 166 166 7024 2 . SER 167 167 7024 2 . ASN 168 168 7024 2 . ILE 169 169 7024 2 . SER 170 170 7024 2 . HIS 171 171 7024 2 . LYS 172 172 7024 2 . LYS 173 173 7024 2 . VAL 174 174 7024 2 . SER 175 175 7024 2 . TYR 176 176 7024 2 . GLU 177 177 7024 2 . ASP 178 178 7024 2 . ILE 179 179 7024 2 . ILE 180 180 7024 2 . GLY 181 181 7024 2 . SER 182 182 7024 2 . THR 183 183 7024 2 . ILE 184 184 7024 2 . VAL 185 185 7024 2 . ASP 186 186 7024 2 . THR 187 187 7024 2 . LYS 188 188 7024 2 . CYS 189 189 7024 2 . VAL 190 190 7024 2 . LYS 191 191 7024 2 . ASN 192 192 7024 2 . LEU 193 193 7024 2 . GLU 194 194 7024 2 . PHE 195 195 7024 2 . SER 196 196 7024 2 . VAL 197 197 7024 2 . ARG 198 198 7024 2 . ILE 199 199 7024 2 . GLY 200 200 7024 2 . ASP 201 201 7024 2 . MET 202 202 7024 2 . CYS 203 203 7024 2 . LYS 204 204 7024 2 . GLU 205 205 7024 2 . SER 206 206 7024 2 . SER 207 207 7024 2 . GLU 208 208 7024 2 . LEU 209 209 7024 2 . GLU 210 210 7024 2 . VAL 211 211 7024 2 . LYS 212 212 7024 2 . ASP 213 213 7024 2 . GLY 214 214 7024 2 . PHE 215 215 7024 2 . LYS 216 216 7024 2 . TYR 217 217 7024 2 . VAL 218 218 7024 2 . ASP 219 219 7024 2 . GLY 220 220 7024 2 . SER 221 221 7024 2 . ALA 222 222 7024 2 . SER 223 223 7024 2 . LYS 224 224 7024 2 . GLY 225 225 7024 2 . ALA 226 226 7024 2 . THR 227 227 7024 2 . ASP 228 228 7024 2 . ASP 229 229 7024 2 . THR 230 230 7024 2 . SER 231 231 7024 2 . LEU 232 232 7024 2 . ILE 233 233 7024 2 . ASP 234 234 7024 2 . SER 235 235 7024 2 . THR 236 236 7024 2 . LYS 237 237 7024 2 . LEU 238 238 7024 2 . LYS 239 239 7024 2 . ALA 240 240 7024 2 . CYS 241 241 7024 2 . VAL 242 242 7024 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 7024 _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 $human_MIP-1b . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 7024 1 2 2 $rabbitpox_vCCI . . . no . Poxvirus . . Viruses Viridiplantae Orthopox rabbitpox . . . . . . . . . . . . . . . . . . . . . 7024 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 7024 _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 $human_MIP-1b . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7024 1 2 2 $rabbitpox_vCCI . 'recombinant technology' . 'P. pastoris' . . . . . . . . . . . . . . . . . . . . . . . . . . . 7024 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7024 _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 'human MIP-1b' '[U-13C; U-15N]' . . 1 $human_MIP-1b . . 1 . . mM . . . . 7024 1 2 'rabbitpox vCCI' '[U-95% 2H; U-13C; U-15N]' . . 2 $rabbitpox_vCCI . . 1 . . mM . . . . 7024 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7024 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7 0.05 pH 7024 1 temperature 310 0.5 K 7024 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 7024 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_750MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 750MHz_spectrometer _NMR_spectrometer.Entry_ID 7024 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7024 _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 15N-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 2 13C-HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 3 HNCA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 4 HN(CO)CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 6 HN(CO)CACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 7 HNCO no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 8 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 9 CBCANH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 10 HBHA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 11 HCCH-COSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7024 1 stop_ save_ save_15N-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 15N-HSQC _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 15N-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_13C-HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 13C-HSQC _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 13C-HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCA _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CA _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCACB _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HN(CO)CACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HN(CO)CACB _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CO)CACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HNCO _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCA(CO)NH _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_CBCANH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode CBCANH _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name CBCANH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HBHA(CO)NH _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HBHA(CO)NH _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HBHA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_HCCH-COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode HCCH-COSY _NMR_spec_expt.Entry_ID 7024 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name HCCH-COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7024 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7024 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7024 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7024 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7024 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 7024 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HB1 H 1 1.501 0.028 . . . . . . 1 ALA HB . 7024 1 2 . 1 1 1 1 ALA HB2 H 1 1.501 0.028 . . . . . . 1 ALA HB . 7024 1 3 . 1 1 1 1 ALA HB3 H 1 1.501 0.028 . . . . . . 1 ALA HB . 7024 1 4 . 1 1 1 1 ALA CB C 13 18.200 0.12 . . . . . . 1 ALA CB . 7024 1 5 . 1 1 2 2 PRO HA H 1 4.475 0.028 . . . . . . 2 PRO HA . 7024 1 6 . 1 1 2 2 PRO HB2 H 1 1.900 0.028 . . . . . . 2 PRO HB2 . 7024 1 7 . 1 1 2 2 PRO HB3 H 1 2.312 0.028 . . . . . . 2 PRO HB3 . 7024 1 8 . 1 1 2 2 PRO HG2 H 1 1.973 0.028 . . . . . . 2 PRO HG2 . 7024 1 9 . 1 1 2 2 PRO HG3 H 1 2.036 0.028 . . . . . . 2 PRO HG3 . 7024 1 10 . 1 1 2 2 PRO HD2 H 1 3.582 0.028 . . . . . . 2 PRO HD2 . 7024 1 11 . 1 1 2 2 PRO HD3 H 1 3.690 0.028 . . . . . . 2 PRO HD3 . 7024 1 12 . 1 1 2 2 PRO CA C 13 63.0985 0.12 . . . . . . 2 PRO CA . 7024 1 13 . 1 1 2 2 PRO CB C 13 32.0035 0.12 . . . . . . 2 PRO CB . 7024 1 14 . 1 1 2 2 PRO CG C 13 27.507 0.12 . . . . . . 2 PRO CG . 7024 1 15 . 1 1 2 2 PRO CD C 13 50.447 0.12 . . . . . . 2 PRO CD . 7024 1 16 . 1 1 3 3 MET H H 1 8.5273 0.028 . . . . . . 3 MET H . 7024 1 17 . 1 1 3 3 MET HA H 1 4.451 0.028 . . . . . . 3 MET HA . 7024 1 18 . 1 1 3 3 MET HB2 H 1 2.050 0.028 . . . . . . 3 MET HB2 . 7024 1 19 . 1 1 3 3 MET HB3 H 1 2.092 0.028 . . . . . . 3 MET HB3 . 7024 1 20 . 1 1 3 3 MET HG2 H 1 2.588 0.028 . . . . . . 3 MET HG2 . 7024 1 21 . 1 1 3 3 MET HG3 H 1 2.641 0.028 . . . . . . 3 MET HG3 . 7024 1 22 . 1 1 3 3 MET HE1 H 1 2.098 0.028 . . . . . . 3 MET HE . 7024 1 23 . 1 1 3 3 MET HE2 H 1 2.098 0.028 . . . . . . 3 MET HE . 7024 1 24 . 1 1 3 3 MET HE3 H 1 2.098 0.028 . . . . . . 3 MET HE . 7024 1 25 . 1 1 3 3 MET CA C 13 55.8967 0.12 . . . . . . 3 MET CA . 7024 1 26 . 1 1 3 3 MET CB C 13 33.0430 0.12 . . . . . . 3 MET CB . 7024 1 27 . 1 1 3 3 MET CG C 13 32.035 0.12 . . . . . . 3 MET CG . 7024 1 28 . 1 1 3 3 MET CE C 13 17.004 0.12 . . . . . . 3 MET CE . 7024 1 29 . 1 1 3 3 MET N N 15 121.2883 0.113 . . . . . . 3 MET N . 7024 1 30 . 1 1 4 4 GLY H H 1 8.4210 0.028 . . . . . . 4 GLY H . 7024 1 31 . 1 1 4 4 GLY HA2 H 1 3.996 0.028 . . . . . . 4 GLY HA2 . 7024 1 32 . 1 1 4 4 GLY HA3 H 1 3.996 0.028 . . . . . . 4 GLY HA3 . 7024 1 33 . 1 1 4 4 GLY CA C 13 45.4120 0.12 . . . . . . 4 GLY CA . 7024 1 34 . 1 1 4 4 GLY N N 15 110.6100 0.113 . . . . . . 4 GLY N . 7024 1 35 . 1 1 5 5 SER H H 1 8.0800 0.028 . . . . . . 5 SER H . 7024 1 36 . 1 1 5 5 SER HA H 1 4.447 0.028 . . . . . . 5 SER HA . 7024 1 37 . 1 1 5 5 SER HB2 H 1 3.818 0.028 . . . . . . 5 SER HB2 . 7024 1 38 . 1 1 5 5 SER HB3 H 1 3.818 0.028 . . . . . . 5 SER HB3 . 7024 1 39 . 1 1 5 5 SER CA C 13 58.2420 0.12 . . . . . . 5 SER CA . 7024 1 40 . 1 1 5 5 SER CB C 13 64.0040 0.12 . . . . . . 5 SER CB . 7024 1 41 . 1 1 5 5 SER N N 15 115.1140 0.113 . . . . . . 5 SER N . 7024 1 42 . 1 1 6 6 ASP H H 1 8.2080 0.028 . . . . . . 6 ASP H . 7024 1 43 . 1 1 6 6 ASP HA H 1 4.837 0.028 . . . . . . 6 ASP HA . 7024 1 44 . 1 1 6 6 ASP HB2 H 1 2.363 0.028 . . . . . . 6 ASP HB2 . 7024 1 45 . 1 1 6 6 ASP HB3 H 1 2.556 0.028 . . . . . . 6 ASP HB3 . 7024 1 46 . 1 1 6 6 ASP CA C 13 52.7790 0.12 . . . . . . 6 ASP CA . 7024 1 47 . 1 1 6 6 ASP CB C 13 40.5670 0.12 . . . . . . 6 ASP CB . 7024 1 48 . 1 1 6 6 ASP N N 15 122.7560 0.113 . . . . . . 6 ASP N . 7024 1 49 . 1 1 8 8 PRO HA H 1 4.536 0.028 . . . . . . 8 PRO HA . 7024 1 50 . 1 1 8 8 PRO HB2 H 1 2.016 0.028 . . . . . . 8 PRO HB2 . 7024 1 51 . 1 1 8 8 PRO HB3 H 1 2.218 0.028 . . . . . . 8 PRO HB3 . 7024 1 52 . 1 1 8 8 PRO HG2 H 1 2.023 0.028 . . . . . . 8 PRO HG2 . 7024 1 53 . 1 1 8 8 PRO HG3 H 1 2.023 0.028 . . . . . . 8 PRO HG3 . 7024 1 54 . 1 1 8 8 PRO CA C 13 63.3290 0.12 . . . . . . 8 PRO CA . 7024 1 55 . 1 1 8 8 PRO CB C 13 32.0220 0.12 . . . . . . 8 PRO CB . 7024 1 56 . 1 1 8 8 PRO CG C 13 26.968 0.12 . . . . . . 8 PRO CG . 7024 1 57 . 1 1 9 9 THR H H 1 7.8390 0.028 . . . . . . 9 THR H . 7024 1 58 . 1 1 9 9 THR HA H 1 4.408 0.028 . . . . . . 9 THR HA . 7024 1 59 . 1 1 9 9 THR HB H 1 4.578 0.028 . . . . . . 9 THR HB . 7024 1 60 . 1 1 9 9 THR HG21 H 1 1.156 0.028 . . . . . . 9 THR HG2 . 7024 1 61 . 1 1 9 9 THR HG22 H 1 1.156 0.028 . . . . . . 9 THR HG2 . 7024 1 62 . 1 1 9 9 THR HG23 H 1 1.156 0.028 . . . . . . 9 THR HG2 . 7024 1 63 . 1 1 9 9 THR CA C 13 60.8610 0.12 . . . . . . 9 THR CA . 7024 1 64 . 1 1 9 9 THR CB C 13 69.3060 0.12 . . . . . . 9 THR CB . 7024 1 65 . 1 1 9 9 THR CG2 C 13 21.868 0.12 . . . . . . 9 THR CG2 . 7024 1 66 . 1 1 9 9 THR N N 15 109.7970 0.113 . . . . . . 9 THR N . 7024 1 67 . 1 1 10 10 ALA H H 1 7.6090 0.028 . . . . . . 10 ALA H . 7024 1 68 . 1 1 10 10 ALA HA H 1 5.148 0.028 . . . . . . 10 ALA HA . 7024 1 69 . 1 1 10 10 ALA HB1 H 1 1.347 0.028 . . . . . . 10 ALA HB . 7024 1 70 . 1 1 10 10 ALA HB2 H 1 1.347 0.028 . . . . . . 10 ALA HB . 7024 1 71 . 1 1 10 10 ALA HB3 H 1 1.347 0.028 . . . . . . 10 ALA HB . 7024 1 72 . 1 1 10 10 ALA CA C 13 52.0950 0.12 . . . . . . 10 ALA CA . 7024 1 73 . 1 1 10 10 ALA CB C 13 19.6620 0.12 . . . . . . 10 ALA CB . 7024 1 74 . 1 1 10 10 ALA N N 15 124.7880 0.113 . . . . . . 10 ALA N . 7024 1 75 . 1 1 11 11 CYS H H 1 8.2230 0.028 . . . . . . 11 CYS H . 7024 1 76 . 1 1 11 11 CYS HA H 1 5.234 0.028 . . . . . . 11 CYS HA . 7024 1 77 . 1 1 11 11 CYS HB2 H 1 2.043 0.028 . . . . . . 11 CYS HB2 . 7024 1 78 . 1 1 11 11 CYS HB3 H 1 2.997 0.028 . . . . . . 11 CYS HB3 . 7024 1 79 . 1 1 11 11 CYS CA C 13 51.6360 0.12 . . . . . . 11 CYS CA . 7024 1 80 . 1 1 11 11 CYS CB C 13 40.7930 0.12 . . . . . . 11 CYS CB . 7024 1 81 . 1 1 11 11 CYS N N 15 115.877 0.113 . . . . . . 11 CYS N . 7024 1 82 . 1 1 12 12 CYS H H 1 9.1890 0.028 . . . . . . 12 CYS H . 7024 1 83 . 1 1 12 12 CYS HA H 1 5.300 0.028 . . . . . . 12 CYS HA . 7024 1 84 . 1 1 12 12 CYS HB2 H 1 2.391 0.028 . . . . . . 12 CYS HB2 . 7024 1 85 . 1 1 12 12 CYS HB3 H 1 2.965 0.028 . . . . . . 12 CYS HB3 . 7024 1 86 . 1 1 12 12 CYS CA C 13 55.6260 0.12 . . . . . . 12 CYS CA . 7024 1 87 . 1 1 12 12 CYS CB C 13 45.3720 0.12 . . . . . . 12 CYS CB . 7024 1 88 . 1 1 12 12 CYS N N 15 119.3210 0.113 . . . . . . 12 CYS N . 7024 1 89 . 1 1 13 13 PHE H H 1 8.5770 0.028 . . . . . . 13 PHE H . 7024 1 90 . 1 1 13 13 PHE HA H 1 4.481 0.028 . . . . . . 13 PHE HA . 7024 1 91 . 1 1 13 13 PHE HB2 H 1 3.360 0.028 . . . . . . 13 PHE HB2 . 7024 1 92 . 1 1 13 13 PHE HB3 H 1 3.360 0.028 . . . . . . 13 PHE HB3 . 7024 1 93 . 1 1 13 13 PHE HD1 H 1 6.910 0.028 . . . . . . 13 PHE HD1 . 7024 1 94 . 1 1 13 13 PHE HD2 H 1 6.910 0.028 . . . . . . 13 PHE HD2 . 7024 1 95 . 1 1 13 13 PHE HE1 H 1 6.670 0.028 . . . . . . 13 PHE HE1 . 7024 1 96 . 1 1 13 13 PHE HE2 H 1 6.670 0.028 . . . . . . 13 PHE HE2 . 7024 1 97 . 1 1 13 13 PHE CA C 13 57.4950 0.12 . . . . . . 13 PHE CA . 7024 1 98 . 1 1 13 13 PHE CB C 13 42.9420 0.12 . . . . . . 13 PHE CB . 7024 1 99 . 1 1 13 13 PHE CD1 C 13 131.0000 0.12 . . . . . . 13 PHE CD1 . 7024 1 100 . 1 1 13 13 PHE CE1 C 13 129.3200 0.12 . . . . . . 13 PHE CE1 . 7024 1 101 . 1 1 13 13 PHE N N 15 117.7070 0.113 . . . . . . 13 PHE N . 7024 1 102 . 1 1 14 14 SER H H 1 7.3300 0.028 . . . . . . 14 SER H . 7024 1 103 . 1 1 14 14 SER HA H 1 4.124 0.028 . . . . . . 14 SER HA . 7024 1 104 . 1 1 14 14 SER HB2 H 1 3.639 0.028 . . . . . . 14 SER HB2 . 7024 1 105 . 1 1 14 14 SER HB3 H 1 3.757 0.028 . . . . . . 14 SER HB3 . 7024 1 106 . 1 1 14 14 SER CA C 13 57.2900 0.12 . . . . . . 14 SER CA . 7024 1 107 . 1 1 14 14 SER CB C 13 63.1830 0.12 . . . . . . 14 SER CB . 7024 1 108 . 1 1 14 14 SER N N 15 112.2940 0.113 . . . . . . 14 SER N . 7024 1 109 . 1 1 15 15 TYR H H 1 8.3870 0.028 . . . . . . 15 TYR H . 7024 1 110 . 1 1 15 15 TYR HA H 1 4.943 0.028 . . . . . . 15 TYR HA . 7024 1 111 . 1 1 15 15 TYR HB2 H 1 2.830 0.028 . . . . . . 15 TYR HB2 . 7024 1 112 . 1 1 15 15 TYR HB3 H 1 3.337 0.028 . . . . . . 15 TYR HB3 . 7024 1 113 . 1 1 15 15 TYR HD1 H 1 6.890 0.028 . . . . . . 15 TYR HD1 . 7024 1 114 . 1 1 15 15 TYR HD2 H 1 6.890 0.028 . . . . . . 15 TYR HD2 . 7024 1 115 . 1 1 15 15 TYR HE1 H 1 6.820 0.028 . . . . . . 15 TYR HE1 . 7024 1 116 . 1 1 15 15 TYR HE2 H 1 6.820 0.028 . . . . . . 15 TYR HE2 . 7024 1 117 . 1 1 15 15 TYR CA C 13 55.2900 0.12 . . . . . . 15 TYR CA . 7024 1 118 . 1 1 15 15 TYR CB C 13 41.7520 0.12 . . . . . . 15 TYR CB . 7024 1 119 . 1 1 15 15 TYR CD1 C 13 133.1000 0.12 . . . . . . 15 TYR CD1 . 7024 1 120 . 1 1 15 15 TYR CE1 C 13 117.4000 0.12 . . . . . . 15 TYR CE1 . 7024 1 121 . 1 1 15 15 TYR N N 15 123.4350 0.113 . . . . . . 15 TYR N . 7024 1 122 . 1 1 16 16 THR H H 1 8.3490 0.028 . . . . . . 16 THR H . 7024 1 123 . 1 1 16 16 THR HA H 1 4.363 0.028 . . . . . . 16 THR HA . 7024 1 124 . 1 1 16 16 THR HB H 1 4.417 0.028 . . . . . . 16 THR HB . 7024 1 125 . 1 1 16 16 THR HG21 H 1 1.646 0.028 . . . . . . 16 THR HG2 . 7024 1 126 . 1 1 16 16 THR HG22 H 1 1.646 0.028 . . . . . . 16 THR HG2 . 7024 1 127 . 1 1 16 16 THR HG23 H 1 1.646 0.028 . . . . . . 16 THR HG2 . 7024 1 128 . 1 1 16 16 THR CA C 13 62.5210 0.12 . . . . . . 16 THR CA . 7024 1 129 . 1 1 16 16 THR CB C 13 69.0640 0.12 . . . . . . 16 THR CB . 7024 1 130 . 1 1 16 16 THR CG2 C 13 19.116 0.12 . . . . . . 16 THR CG2 . 7024 1 131 . 1 1 16 16 THR N N 15 112.8730 0.113 . . . . . . 16 THR N . 7024 1 132 . 1 1 17 17 ALA H H 1 9.4430 0.028 . . . . . . 17 ALA H . 7024 1 133 . 1 1 17 17 ALA HA H 1 4.710 0.028 . . . . . . 17 ALA HA . 7024 1 134 . 1 1 17 17 ALA HB1 H 1 1.524 0.028 . . . . . . 17 ALA HB . 7024 1 135 . 1 1 17 17 ALA HB2 H 1 1.524 0.028 . . . . . . 17 ALA HB . 7024 1 136 . 1 1 17 17 ALA HB3 H 1 1.524 0.028 . . . . . . 17 ALA HB . 7024 1 137 . 1 1 17 17 ALA CA C 13 52.4740 0.12 . . . . . . 17 ALA CA . 7024 1 138 . 1 1 17 17 ALA CB C 13 19.7610 0.12 . . . . . . 17 ALA CB . 7024 1 139 . 1 1 17 17 ALA N N 15 131.9760 0.113 . . . . . . 17 ALA N . 7024 1 140 . 1 1 18 18 ARG H H 1 8.2200 0.028 . . . . . . 18 ARG H . 7024 1 141 . 1 1 18 18 ARG HA H 1 4.420 0.028 . . . . . . 18 ARG HA . 7024 1 142 . 1 1 18 18 ARG HB2 H 1 1.553 0.028 . . . . . . 18 ARG HB2 . 7024 1 143 . 1 1 18 18 ARG HB3 H 1 1.668 0.028 . . . . . . 18 ARG HB3 . 7024 1 144 . 1 1 18 18 ARG HG2 H 1 1.471 0.028 . . . . . . 18 ARG HG2 . 7024 1 145 . 1 1 18 18 ARG HG3 H 1 1.471 0.028 . . . . . . 18 ARG HG3 . 7024 1 146 . 1 1 18 18 ARG HD2 H 1 3.074 0.028 . . . . . . 18 ARG HD2 . 7024 1 147 . 1 1 18 18 ARG HD3 H 1 3.189 0.028 . . . . . . 18 ARG HD3 . 7024 1 148 . 1 1 18 18 ARG CA C 13 54.4390 0.12 . . . . . . 18 ARG CA . 7024 1 149 . 1 1 18 18 ARG CB C 13 33.0010 0.12 . . . . . . 18 ARG CB . 7024 1 150 . 1 1 18 18 ARG CG C 13 27.386 0.12 . . . . . . 18 ARG CG . 7024 1 151 . 1 1 18 18 ARG CD C 13 43.310 0.12 . . . . . . 18 ARG CD . 7024 1 152 . 1 1 18 18 ARG N N 15 119.6700 0.113 . . . . . . 18 ARG N . 7024 1 153 . 1 1 19 19 LYS H H 1 7.7320 0.028 . . . . . . 19 LYS H . 7024 1 154 . 1 1 19 19 LYS HA H 1 2.252 0.028 . . . . . . 19 LYS HA . 7024 1 155 . 1 1 19 19 LYS HB2 H 1 0.594 0.028 . . . . . . 19 LYS HB2 . 7024 1 156 . 1 1 19 19 LYS HB3 H 1 0.919 0.028 . . . . . . 19 LYS HB3 . 7024 1 157 . 1 1 19 19 LYS HG2 H 1 -0.132 0.028 . . . . . . 19 LYS HG2 . 7024 1 158 . 1 1 19 19 LYS HG3 H 1 0.207 0.028 . . . . . . 19 LYS HG3 . 7024 1 159 . 1 1 19 19 LYS HD2 H 1 1.193 0.028 . . . . . . 19 LYS HD2 . 7024 1 160 . 1 1 19 19 LYS HD3 H 1 1.283 0.028 . . . . . . 19 LYS HD3 . 7024 1 161 . 1 1 19 19 LYS HE2 H 1 2.758 0.028 . . . . . . 19 LYS HE2 . 7024 1 162 . 1 1 19 19 LYS HE3 H 1 2.791 0.028 . . . . . . 19 LYS HE3 . 7024 1 163 . 1 1 19 19 LYS CA C 13 55.8280 0.12 . . . . . . 19 LYS CA . 7024 1 164 . 1 1 19 19 LYS CB C 13 32.0870 0.12 . . . . . . 19 LYS CB . 7024 1 165 . 1 1 19 19 LYS CG C 13 23.422 0.12 . . . . . . 19 LYS CG . 7024 1 166 . 1 1 19 19 LYS CD C 13 29.572 0.12 . . . . . . 19 LYS CD . 7024 1 167 . 1 1 19 19 LYS CE C 13 41.852 0.12 . . . . . . 19 LYS CE . 7024 1 168 . 1 1 19 19 LYS N N 15 120.5930 0.113 . . . . . . 19 LYS N . 7024 1 169 . 1 1 20 20 LEU H H 1 5.049 0.028 . . . . . . 20 LEU H . 7024 1 170 . 1 1 20 20 LEU HA H 1 4.304 0.028 . . . . . . 20 LEU HA . 7024 1 171 . 1 1 20 20 LEU HB2 H 1 1.408 0.028 . . . . . . 20 LEU HB2 . 7024 1 172 . 1 1 20 20 LEU HB3 H 1 1.408 0.028 . . . . . . 20 LEU HB3 . 7024 1 173 . 1 1 20 20 LEU HG H 1 1.686 0.028 . . . . . . 20 LEU HG . 7024 1 174 . 1 1 20 20 LEU HD11 H 1 1.051 0.028 . . . . . . 20 LEU HD1 . 7024 1 175 . 1 1 20 20 LEU HD12 H 1 1.051 0.028 . . . . . . 20 LEU HD1 . 7024 1 176 . 1 1 20 20 LEU HD13 H 1 1.051 0.028 . . . . . . 20 LEU HD1 . 7024 1 177 . 1 1 20 20 LEU HD21 H 1 0.939 0.028 . . . . . . 20 LEU HD2 . 7024 1 178 . 1 1 20 20 LEU HD22 H 1 0.939 0.028 . . . . . . 20 LEU HD2 . 7024 1 179 . 1 1 20 20 LEU HD23 H 1 0.939 0.028 . . . . . . 20 LEU HD2 . 7024 1 180 . 1 1 20 20 LEU CA C 13 52.507 0.12 . . . . . . 20 LEU CA . 7024 1 181 . 1 1 20 20 LEU CB C 13 43.742 0.12 . . . . . . 20 LEU CB . 7024 1 182 . 1 1 20 20 LEU CG C 13 26.829 0.12 . . . . . . 20 LEU CG . 7024 1 183 . 1 1 20 20 LEU CD1 C 13 25.506 0.12 . . . . . . 20 LEU CD1 . 7024 1 184 . 1 1 20 20 LEU CD2 C 13 25.805 0.12 . . . . . . 20 LEU CD2 . 7024 1 185 . 1 1 20 20 LEU N N 15 129.067 0.113 . . . . . . 20 LEU N . 7024 1 186 . 1 1 21 21 PRO HA H 1 4.110 0.028 . . . . . . 21 PRO HA . 7024 1 187 . 1 1 21 21 PRO HB2 H 1 1.105 0.028 . . . . . . 21 PRO HB2 . 7024 1 188 . 1 1 21 21 PRO HB3 H 1 1.977 0.028 . . . . . . 21 PRO HB3 . 7024 1 189 . 1 1 21 21 PRO CA C 13 63.2190 0.12 . . . . . . 21 PRO CA . 7024 1 190 . 1 1 21 21 PRO CB C 13 31.2730 0.12 . . . . . . 21 PRO CB . 7024 1 191 . 1 1 22 22 ARG H H 1 8.3590 0.028 . . . . . . 22 ARG H . 7024 1 192 . 1 1 22 22 ARG HA H 1 3.459 0.028 . . . . . . 22 ARG HA . 7024 1 193 . 1 1 22 22 ARG HB2 H 1 1.552 0.028 . . . . . . 22 ARG HB2 . 7024 1 194 . 1 1 22 22 ARG HB3 H 1 1.552 0.028 . . . . . . 22 ARG HB3 . 7024 1 195 . 1 1 22 22 ARG CA C 13 57.8990 0.12 . . . . . . 22 ARG CA . 7024 1 196 . 1 1 22 22 ARG CB C 13 28.5420 0.12 . . . . . . 22 ARG CB . 7024 1 197 . 1 1 22 22 ARG N N 15 127.0300 0.113 . . . . . . 22 ARG N . 7024 1 198 . 1 1 23 23 ASN H H 1 8.6710 0.028 . . . . . . 23 ASN H . 7024 1 199 . 1 1 23 23 ASN HA H 1 4.457 0.028 . . . . . . 23 ASN HA . 7024 1 200 . 1 1 23 23 ASN HB2 H 1 2.696 0.028 . . . . . . 23 ASN HB2 . 7024 1 201 . 1 1 23 23 ASN HB3 H 1 2.696 0.028 . . . . . . 23 ASN HB3 . 7024 1 202 . 1 1 23 23 ASN CA C 13 54.6700 0.12 . . . . . . 23 ASN CA . 7024 1 203 . 1 1 23 23 ASN CB C 13 37.0040 0.12 . . . . . . 23 ASN CB . 7024 1 204 . 1 1 23 23 ASN N N 15 113.4150 0.113 . . . . . . 23 ASN N . 7024 1 205 . 1 1 24 24 PHE H H 1 7.4821 0.028 . . . . . . 24 PHE H . 7024 1 206 . 1 1 24 24 PHE HA H 1 4.855 0.028 . . . . . . 24 PHE HA . 7024 1 207 . 1 1 24 24 PHE HB2 H 1 3.097 0.028 . . . . . . 24 PHE HB2 . 7024 1 208 . 1 1 24 24 PHE HB3 H 1 3.429 0.028 . . . . . . 24 PHE HB3 . 7024 1 209 . 1 1 24 24 PHE HD1 H 1 7.095 0.028 . . . . . . 24 PHE HD1 . 7024 1 210 . 1 1 24 24 PHE HD2 H 1 7.095 0.028 . . . . . . 24 PHE HD2 . 7024 1 211 . 1 1 24 24 PHE HE1 H 1 7.260 0.028 . . . . . . 24 PHE HE1 . 7024 1 212 . 1 1 24 24 PHE HE2 H 1 7.260 0.028 . . . . . . 24 PHE HE2 . 7024 1 213 . 1 1 24 24 PHE CA C 13 56.0529 0.12 . . . . . . 24 PHE CA . 7024 1 214 . 1 1 24 24 PHE CB C 13 39.0468 0.12 . . . . . . 24 PHE CB . 7024 1 215 . 1 1 24 24 PHE N N 15 116.6377 0.113 . . . . . . 24 PHE N . 7024 1 216 . 1 1 25 25 VAL H H 1 7.4334 0.028 . . . . . . 25 VAL H . 7024 1 217 . 1 1 25 25 VAL HA H 1 3.961 0.028 . . . . . . 25 VAL HA . 7024 1 218 . 1 1 25 25 VAL HB H 1 2.068 0.028 . . . . . . 25 VAL HB . 7024 1 219 . 1 1 25 25 VAL HG11 H 1 0.844 0.028 . . . . . . 25 VAL HG1 . 7024 1 220 . 1 1 25 25 VAL HG12 H 1 0.844 0.028 . . . . . . 25 VAL HG1 . 7024 1 221 . 1 1 25 25 VAL HG13 H 1 0.844 0.028 . . . . . . 25 VAL HG1 . 7024 1 222 . 1 1 25 25 VAL HG21 H 1 1.069 0.028 . . . . . . 25 VAL HG2 . 7024 1 223 . 1 1 25 25 VAL HG22 H 1 1.069 0.028 . . . . . . 25 VAL HG2 . 7024 1 224 . 1 1 25 25 VAL HG23 H 1 1.069 0.028 . . . . . . 25 VAL HG2 . 7024 1 225 . 1 1 25 25 VAL CA C 13 64.1621 0.12 . . . . . . 25 VAL CA . 7024 1 226 . 1 1 25 25 VAL CB C 13 32.8526 0.12 . . . . . . 25 VAL CB . 7024 1 227 . 1 1 25 25 VAL CG1 C 13 22.371 0.12 . . . . . . 25 VAL CG1 . 7024 1 228 . 1 1 25 25 VAL CG2 C 13 23.695 0.12 . . . . . . 25 VAL CG2 . 7024 1 229 . 1 1 25 25 VAL N N 15 118.3007 0.113 . . . . . . 25 VAL N . 7024 1 230 . 1 1 26 26 VAL H H 1 8.8590 0.028 . . . . . . 26 VAL H . 7024 1 231 . 1 1 26 26 VAL HA H 1 4.584 0.028 . . . . . . 26 VAL HA . 7024 1 232 . 1 1 26 26 VAL HB H 1 2.192 0.028 . . . . . . 26 VAL HB . 7024 1 233 . 1 1 26 26 VAL HG11 H 1 0.876 0.028 . . . . . . 26 VAL HG1 . 7024 1 234 . 1 1 26 26 VAL HG12 H 1 0.876 0.028 . . . . . . 26 VAL HG1 . 7024 1 235 . 1 1 26 26 VAL HG13 H 1 0.876 0.028 . . . . . . 26 VAL HG1 . 7024 1 236 . 1 1 26 26 VAL HG21 H 1 0.678 0.028 . . . . . . 26 VAL HG2 . 7024 1 237 . 1 1 26 26 VAL HG22 H 1 0.678 0.028 . . . . . . 26 VAL HG2 . 7024 1 238 . 1 1 26 26 VAL HG23 H 1 0.678 0.028 . . . . . . 26 VAL HG2 . 7024 1 239 . 1 1 26 26 VAL CA C 13 61.2329 0.12 . . . . . . 26 VAL CA . 7024 1 240 . 1 1 26 26 VAL CB C 13 33.5565 0.12 . . . . . . 26 VAL CB . 7024 1 241 . 1 1 26 26 VAL CG1 C 13 21.151 0.12 . . . . . . 26 VAL CG1 . 7024 1 242 . 1 1 26 26 VAL CG2 C 13 18.818 0.12 . . . . . . 26 VAL CG2 . 7024 1 243 . 1 1 26 26 VAL N N 15 119.0764 0.113 . . . . . . 26 VAL N . 7024 1 244 . 1 1 27 27 ASP H H 1 8.2318 0.028 . . . . . . 27 ASP H . 7024 1 245 . 1 1 27 27 ASP HA H 1 4.981 0.028 . . . . . . 27 ASP HA . 7024 1 246 . 1 1 27 27 ASP HB2 H 1 2.717 0.028 . . . . . . 27 ASP HB2 . 7024 1 247 . 1 1 27 27 ASP HB3 H 1 2.819 0.028 . . . . . . 27 ASP HB3 . 7024 1 248 . 1 1 27 27 ASP CA C 13 53.5463 0.12 . . . . . . 27 ASP CA . 7024 1 249 . 1 1 27 27 ASP CB C 13 43.4975 0.12 . . . . . . 27 ASP CB . 7024 1 250 . 1 1 27 27 ASP N N 15 118.7743 0.113 . . . . . . 27 ASP N . 7024 1 251 . 1 1 28 28 TYR H H 1 9.5247 0.028 . . . . . . 28 TYR H . 7024 1 252 . 1 1 28 28 TYR HA H 1 5.873 0.028 . . . . . . 28 TYR HA . 7024 1 253 . 1 1 28 28 TYR HB2 H 1 2.922 0.028 . . . . . . 28 TYR HB2 . 7024 1 254 . 1 1 28 28 TYR HB3 H 1 2.492 0.028 . . . . . . 28 TYR HB3 . 7024 1 255 . 1 1 28 28 TYR HD1 H 1 6.7760 0.028 . . . . . . 28 TYR HD1 . 7024 1 256 . 1 1 28 28 TYR HE1 H 1 6.7200 0.028 . . . . . . 28 TYR HE1 . 7024 1 257 . 1 1 28 28 TYR CA C 13 56.5261 0.12 . . . . . . 28 TYR CA . 7024 1 258 . 1 1 28 28 TYR CB C 13 42.7351 0.12 . . . . . . 28 TYR CB . 7024 1 259 . 1 1 28 28 TYR CD1 C 13 133.0000 0.12 . . . . . . 28 TYR CD1 . 7024 1 260 . 1 1 28 28 TYR CE1 C 13 118.2000 0.12 . . . . . . 28 TYR CE1 . 7024 1 261 . 1 1 28 28 TYR N N 15 119.1694 0.113 . . . . . . 28 TYR N . 7024 1 262 . 1 1 29 29 TYR H H 1 8.5831 0.028 . . . . . . 29 TYR H . 7024 1 263 . 1 1 29 29 TYR HA H 1 4.251 0.028 . . . . . . 29 TYR HA . 7024 1 264 . 1 1 29 29 TYR HB2 H 1 2.886 0.028 . . . . . . 29 TYR HB2 . 7024 1 265 . 1 1 29 29 TYR HB3 H 1 2.886 0.028 . . . . . . 29 TYR HB3 . 7024 1 266 . 1 1 29 29 TYR HD1 H 1 6.7400 0.028 . . . . . . 29 TYR HD1 . 7024 1 267 . 1 1 29 29 TYR HE1 H 1 6.4570 0.028 . . . . . . 29 TYR HE1 . 7024 1 268 . 1 1 29 29 TYR CA C 13 56.8635 0.12 . . . . . . 29 TYR CA . 7024 1 269 . 1 1 29 29 TYR CB C 13 40.0260 0.12 . . . . . . 29 TYR CB . 7024 1 270 . 1 1 29 29 TYR CD1 C 13 134.0000 0.12 . . . . . . 29 TYR CD1 . 7024 1 271 . 1 1 29 29 TYR CE1 C 13 117.3000 0.12 . . . . . . 29 TYR CE1 . 7024 1 272 . 1 1 29 29 TYR N N 15 114.8540 0.113 . . . . . . 29 TYR N . 7024 1 273 . 1 1 30 30 GLU H H 1 8.6517 0.028 . . . . . . 30 GLU H . 7024 1 274 . 1 1 30 30 GLU HA H 1 5.119 0.028 . . . . . . 30 GLU HA . 7024 1 275 . 1 1 30 30 GLU HB2 H 1 1.983 0.028 . . . . . . 30 GLU HB2 . 7024 1 276 . 1 1 30 30 GLU HB3 H 1 2.186 0.028 . . . . . . 30 GLU HB3 . 7024 1 277 . 1 1 30 30 GLU HG2 H 1 2.339 0.028 . . . . . . 30 GLU HG2 . 7024 1 278 . 1 1 30 30 GLU HG3 H 1 2.371 0.028 . . . . . . 30 GLU HG3 . 7024 1 279 . 1 1 30 30 GLU CA C 13 54.9777 0.12 . . . . . . 30 GLU CA . 7024 1 280 . 1 1 30 30 GLU CB C 13 32.2517 0.12 . . . . . . 30 GLU CB . 7024 1 281 . 1 1 30 30 GLU CG C 13 37.700 0.12 . . . . . . 30 GLU CG . 7024 1 282 . 1 1 30 30 GLU N N 15 119.3211 0.113 . . . . . . 30 GLU N . 7024 1 283 . 1 1 31 31 THR H H 1 7.9020 0.028 . . . . . . 31 THR H . 7024 1 284 . 1 1 31 31 THR HA H 1 4.470 0.028 . . . . . . 31 THR HA . 7024 1 285 . 1 1 31 31 THR HB H 1 4.877 0.028 . . . . . . 31 THR HB . 7024 1 286 . 1 1 31 31 THR HG21 H 1 1.204 0.028 . . . . . . 31 THR HG2 . 7024 1 287 . 1 1 31 31 THR HG22 H 1 1.204 0.028 . . . . . . 31 THR HG2 . 7024 1 288 . 1 1 31 31 THR HG23 H 1 1.204 0.028 . . . . . . 31 THR HG2 . 7024 1 289 . 1 1 31 31 THR CA C 13 62.2392 0.12 . . . . . . 31 THR CA . 7024 1 290 . 1 1 31 31 THR CB C 13 70.5225 0.12 . . . . . . 31 THR CB . 7024 1 291 . 1 1 31 31 THR CG2 C 13 23.059 0.12 . . . . . . 31 THR CG2 . 7024 1 292 . 1 1 31 31 THR N N 15 111.7390 0.113 . . . . . . 31 THR N . 7024 1 293 . 1 1 32 32 SER H H 1 9.0470 0.028 . . . . . . 32 SER H . 7024 1 294 . 1 1 32 32 SER HA H 1 4.493 0.028 . . . . . . 32 SER HA . 7024 1 295 . 1 1 32 32 SER HB2 H 1 3.965 0.028 . . . . . . 32 SER HB2 . 7024 1 296 . 1 1 32 32 SER HB3 H 1 4.284 0.028 . . . . . . 32 SER HB3 . 7024 1 297 . 1 1 32 32 SER CA C 13 58.2990 0.12 . . . . . . 32 SER CA . 7024 1 298 . 1 1 32 32 SER CB C 13 64.8500 0.12 . . . . . . 32 SER CB . 7024 1 299 . 1 1 32 32 SER N N 15 115.2920 0.113 . . . . . . 32 SER N . 7024 1 300 . 1 1 33 33 SER HA H 1 4.381 0.028 . . . . . . 33 SER HA . 7024 1 301 . 1 1 33 33 SER HB2 H 1 4.092 0.028 . . . . . . 33 SER HB2 . 7024 1 302 . 1 1 33 33 SER HB3 H 1 4.007 0.028 . . . . . . 33 SER HB3 . 7024 1 303 . 1 1 33 33 SER CA C 13 60.6660 0.12 . . . . . . 33 SER CA . 7024 1 304 . 1 1 33 33 SER CB C 13 62.8580 0.12 . . . . . . 33 SER CB . 7024 1 305 . 1 1 34 34 LEU H H 1 8.0750 0.028 . . . . . . 34 LEU H . 7024 1 306 . 1 1 34 34 LEU HA H 1 4.259 0.028 . . . . . . 34 LEU HA . 7024 1 307 . 1 1 34 34 LEU HB2 H 1 1.634 0.028 . . . . . . 34 LEU HB2 . 7024 1 308 . 1 1 34 34 LEU HB3 H 1 1.634 0.028 . . . . . . 34 LEU HB3 . 7024 1 309 . 1 1 34 34 LEU HG H 1 1.648 0.028 . . . . . . 34 LEU HG . 7024 1 310 . 1 1 34 34 LEU HD11 H 1 0.870 0.028 . . . . . . 34 LEU HD1 . 7024 1 311 . 1 1 34 34 LEU HD12 H 1 0.870 0.028 . . . . . . 34 LEU HD1 . 7024 1 312 . 1 1 34 34 LEU HD13 H 1 0.870 0.028 . . . . . . 34 LEU HD1 . 7024 1 313 . 1 1 34 34 LEU HD21 H 1 0.866 0.028 . . . . . . 34 LEU HD2 . 7024 1 314 . 1 1 34 34 LEU HD22 H 1 0.866 0.028 . . . . . . 34 LEU HD2 . 7024 1 315 . 1 1 34 34 LEU HD23 H 1 0.866 0.028 . . . . . . 34 LEU HD2 . 7024 1 316 . 1 1 34 34 LEU CA C 13 56.2690 0.12 . . . . . . 34 LEU CA . 7024 1 317 . 1 1 34 34 LEU CB C 13 41.9090 0.12 . . . . . . 34 LEU CB . 7024 1 318 . 1 1 34 34 LEU CG C 13 27.315 0.12 . . . . . . 34 LEU CG . 7024 1 319 . 1 1 34 34 LEU CD1 C 13 25.045 0.12 . . . . . . 34 LEU CD1 . 7024 1 320 . 1 1 34 34 LEU CD2 C 13 23.363 0.12 . . . . . . 34 LEU CD2 . 7024 1 321 . 1 1 34 34 LEU N N 15 120.5170 0.113 . . . . . . 34 LEU N . 7024 1 322 . 1 1 35 35 CYS H H 1 7.5770 0.028 . . . . . . 35 CYS H . 7024 1 323 . 1 1 35 35 CYS HA H 1 4.728 0.028 . . . . . . 35 CYS HA . 7024 1 324 . 1 1 35 35 CYS HB2 H 1 2.772 0.028 . . . . . . 35 CYS HB2 . 7024 1 325 . 1 1 35 35 CYS HB3 H 1 3.700 0.028 . . . . . . 35 CYS HB3 . 7024 1 326 . 1 1 35 35 CYS CA C 13 53.9320 0.12 . . . . . . 35 CYS CA . 7024 1 327 . 1 1 35 35 CYS CB C 13 37.7310 0.12 . . . . . . 35 CYS CB . 7024 1 328 . 1 1 35 35 CYS N N 15 118.5510 0.113 . . . . . . 35 CYS N . 7024 1 329 . 1 1 36 36 SER H H 1 8.6790 0.028 . . . . . . 36 SER H . 7024 1 330 . 1 1 36 36 SER HA H 1 4.207 0.028 . . . . . . 36 SER HA . 7024 1 331 . 1 1 36 36 SER HB2 H 1 4.113 0.028 . . . . . . 36 SER HB2 . 7024 1 332 . 1 1 36 36 SER HB3 H 1 4.113 0.028 . . . . . . 36 SER HB3 . 7024 1 333 . 1 1 36 36 SER CA C 13 60.9320 0.12 . . . . . . 36 SER CA . 7024 1 334 . 1 1 36 36 SER CB C 13 63.5290 0.12 . . . . . . 36 SER CB . 7024 1 335 . 1 1 36 36 SER N N 15 117.9860 0.113 . . . . . . 36 SER N . 7024 1 336 . 1 1 37 37 GLN H H 1 8.1150 0.028 . . . . . . 37 GLN H . 7024 1 337 . 1 1 37 37 GLN HA H 1 4.975 0.028 . . . . . . 37 GLN HA . 7024 1 338 . 1 1 37 37 GLN HB2 H 1 1.914 0.028 . . . . . . 37 GLN HB2 . 7024 1 339 . 1 1 37 37 GLN HB3 H 1 2.028 0.028 . . . . . . 37 GLN HB3 . 7024 1 340 . 1 1 37 37 GLN HG2 H 1 2.122 0.028 . . . . . . 37 GLN HG2 . 7024 1 341 . 1 1 37 37 GLN HG3 H 1 2.288 0.028 . . . . . . 37 GLN HG3 . 7024 1 342 . 1 1 37 37 GLN HE21 H 1 6.3960 0.028 . . . . . . 37 GLN HE21 . 7024 1 343 . 1 1 37 37 GLN HE22 H 1 6.2370 0.028 . . . . . . 37 GLN HE22 . 7024 1 344 . 1 1 37 37 GLN CA C 13 52.4970 0.12 . . . . . . 37 GLN CA . 7024 1 345 . 1 1 37 37 GLN CB C 13 29.7370 0.12 . . . . . . 37 GLN CB . 7024 1 346 . 1 1 37 37 GLN CG C 13 33.317 0.12 . . . . . . 37 GLN CG . 7024 1 347 . 1 1 37 37 GLN N N 15 120.0630 0.113 . . . . . . 37 GLN N . 7024 1 348 . 1 1 37 37 GLN NE2 N 15 107.3180 0.113 . . . . . . 37 GLN NE2 . 7024 1 349 . 1 1 38 38 PRO HA H 1 4.590 0.028 . . . . . . 38 PRO HA . 7024 1 350 . 1 1 38 38 PRO HB2 H 1 1.814 0.028 . . . . . . 38 PRO HB2 . 7024 1 351 . 1 1 38 38 PRO HB3 H 1 2.232 0.028 . . . . . . 38 PRO HB3 . 7024 1 352 . 1 1 38 38 PRO HG2 H 1 2.006 0.028 . . . . . . 38 PRO HG2 . 7024 1 353 . 1 1 38 38 PRO HG3 H 1 2.006 0.028 . . . . . . 38 PRO HG3 . 7024 1 354 . 1 1 38 38 PRO HD2 H 1 3.834 0.028 . . . . . . 38 PRO HD2 . 7024 1 355 . 1 1 38 38 PRO HD3 H 1 3.834 0.028 . . . . . . 38 PRO HD3 . 7024 1 356 . 1 1 38 38 PRO CA C 13 62.0990 0.12 . . . . . . 38 PRO CA . 7024 1 357 . 1 1 38 38 PRO CB C 13 32.8310 0.12 . . . . . . 38 PRO CB . 7024 1 358 . 1 1 38 38 PRO CG C 13 27.253 0.12 . . . . . . 38 PRO CG . 7024 1 359 . 1 1 38 38 PRO CD C 13 50.534 0.12 . . . . . . 38 PRO CD . 7024 1 360 . 1 1 39 39 ALA H H 1 8.1250 0.028 . . . . . . 39 ALA H . 7024 1 361 . 1 1 39 39 ALA HA H 1 4.621 0.028 . . . . . . 39 ALA HA . 7024 1 362 . 1 1 39 39 ALA HB1 H 1 1.552 0.028 . . . . . . 39 ALA HB . 7024 1 363 . 1 1 39 39 ALA HB2 H 1 1.552 0.028 . . . . . . 39 ALA HB . 7024 1 364 . 1 1 39 39 ALA HB3 H 1 1.552 0.028 . . . . . . 39 ALA HB . 7024 1 365 . 1 1 39 39 ALA CA C 13 53.4680 0.12 . . . . . . 39 ALA CA . 7024 1 366 . 1 1 39 39 ALA CB C 13 24.3640 0.12 . . . . . . 39 ALA CB . 7024 1 367 . 1 1 39 39 ALA N N 15 120.4190 0.113 . . . . . . 39 ALA N . 7024 1 368 . 1 1 40 40 VAL H H 1 7.8250 0.028 . . . . . . 40 VAL H . 7024 1 369 . 1 1 40 40 VAL HA H 1 3.999 0.028 . . . . . . 40 VAL HA . 7024 1 370 . 1 1 40 40 VAL HB H 1 1.122 0.028 . . . . . . 40 VAL HB . 7024 1 371 . 1 1 40 40 VAL HG11 H 1 -0.187 0.028 . . . . . . 40 VAL HG1 . 7024 1 372 . 1 1 40 40 VAL HG12 H 1 -0.187 0.028 . . . . . . 40 VAL HG1 . 7024 1 373 . 1 1 40 40 VAL HG13 H 1 -0.187 0.028 . . . . . . 40 VAL HG1 . 7024 1 374 . 1 1 40 40 VAL HG21 H 1 0.596 0.028 . . . . . . 40 VAL HG2 . 7024 1 375 . 1 1 40 40 VAL HG22 H 1 0.596 0.028 . . . . . . 40 VAL HG2 . 7024 1 376 . 1 1 40 40 VAL HG23 H 1 0.596 0.028 . . . . . . 40 VAL HG2 . 7024 1 377 . 1 1 40 40 VAL CA C 13 62.1540 0.12 . . . . . . 40 VAL CA . 7024 1 378 . 1 1 40 40 VAL CB C 13 33.6470 0.12 . . . . . . 40 VAL CB . 7024 1 379 . 1 1 40 40 VAL CG1 C 13 20.969 0.12 . . . . . . 40 VAL CG1 . 7024 1 380 . 1 1 40 40 VAL CG2 C 13 21.955 0.12 . . . . . . 40 VAL CG2 . 7024 1 381 . 1 1 40 40 VAL N N 15 121.3990 0.113 . . . . . . 40 VAL N . 7024 1 382 . 1 1 41 41 VAL H H 1 8.8650 0.028 . . . . . . 41 VAL H . 7024 1 383 . 1 1 41 41 VAL HA H 1 4.291 0.028 . . . . . . 41 VAL HA . 7024 1 384 . 1 1 41 41 VAL HB H 1 0.385 0.028 . . . . . . 41 VAL HB . 7024 1 385 . 1 1 41 41 VAL HG11 H 1 0.372 0.028 . . . . . . 41 VAL HG1 . 7024 1 386 . 1 1 41 41 VAL HG12 H 1 0.372 0.028 . . . . . . 41 VAL HG1 . 7024 1 387 . 1 1 41 41 VAL HG13 H 1 0.372 0.028 . . . . . . 41 VAL HG1 . 7024 1 388 . 1 1 41 41 VAL HG21 H 1 0.349 0.028 . . . . . . 41 VAL HG2 . 7024 1 389 . 1 1 41 41 VAL HG22 H 1 0.349 0.028 . . . . . . 41 VAL HG2 . 7024 1 390 . 1 1 41 41 VAL HG23 H 1 0.349 0.028 . . . . . . 41 VAL HG2 . 7024 1 391 . 1 1 41 41 VAL CA C 13 60.3060 0.12 . . . . . . 41 VAL CA . 7024 1 392 . 1 1 41 41 VAL CB C 13 31.4650 0.12 . . . . . . 41 VAL CB . 7024 1 393 . 1 1 41 41 VAL CG1 C 13 22.565 0.12 . . . . . . 41 VAL CG1 . 7024 1 394 . 1 1 41 41 VAL CG2 C 13 22.318 0.12 . . . . . . 41 VAL CG2 . 7024 1 395 . 1 1 41 41 VAL N N 15 127.0090 0.113 . . . . . . 41 VAL N . 7024 1 396 . 1 1 42 42 PHE H H 1 8.9700 0.028 . . . . . . 42 PHE H . 7024 1 397 . 1 1 42 42 PHE HA H 1 5.138 0.028 . . . . . . 42 PHE HA . 7024 1 398 . 1 1 42 42 PHE HB2 H 1 3.071 0.028 . . . . . . 42 PHE HB2 . 7024 1 399 . 1 1 42 42 PHE HB3 H 1 2.776 0.028 . . . . . . 42 PHE HB3 . 7024 1 400 . 1 1 42 42 PHE HD2 H 1 7.2760 0.028 . . . . . . 42 PHE HD2 . 7024 1 401 . 1 1 42 42 PHE CA C 13 57.9240 0.12 . . . . . . 42 PHE CA . 7024 1 402 . 1 1 42 42 PHE CB C 13 41.0290 0.12 . . . . . . 42 PHE CB . 7024 1 403 . 1 1 42 42 PHE CD1 C 13 131.6000 0.12 . . . . . . 42 PHE CD1 . 7024 1 404 . 1 1 42 42 PHE N N 15 123.3600 0.113 . . . . . . 42 PHE N . 7024 1 405 . 1 1 43 43 GLN H H 1 8.7480 0.028 . . . . . . 43 GLN H . 7024 1 406 . 1 1 43 43 GLN HA H 1 5.249 0.028 . . . . . . 43 GLN HA . 7024 1 407 . 1 1 43 43 GLN HB2 H 1 1.890 0.028 . . . . . . 43 GLN HB2 . 7024 1 408 . 1 1 43 43 GLN HB3 H 1 2.058 0.028 . . . . . . 43 GLN HB3 . 7024 1 409 . 1 1 43 43 GLN HG2 H 1 2.229 0.028 . . . . . . 43 GLN HG2 . 7024 1 410 . 1 1 43 43 GLN HG3 H 1 2.277 0.028 . . . . . . 43 GLN HG3 . 7024 1 411 . 1 1 43 43 GLN CA C 13 54.0890 0.12 . . . . . . 43 GLN CA . 7024 1 412 . 1 1 43 43 GLN CB C 13 30.8400 0.12 . . . . . . 43 GLN CB . 7024 1 413 . 1 1 43 43 GLN CG C 13 34.538 0.12 . . . . . . 43 GLN CG . 7024 1 414 . 1 1 43 43 GLN N N 15 121.9430 0.113 . . . . . . 43 GLN N . 7024 1 415 . 1 1 44 44 THR H H 1 8.4360 0.028 . . . . . . 44 THR H . 7024 1 416 . 1 1 44 44 THR HA H 1 5.671 0.028 . . . . . . 44 THR HA . 7024 1 417 . 1 1 44 44 THR HB H 1 4.731 0.028 . . . . . . 44 THR HB . 7024 1 418 . 1 1 44 44 THR HG21 H 1 1.046 0.028 . . . . . . 44 THR HG2 . 7024 1 419 . 1 1 44 44 THR HG22 H 1 1.046 0.028 . . . . . . 44 THR HG2 . 7024 1 420 . 1 1 44 44 THR HG23 H 1 1.046 0.028 . . . . . . 44 THR HG2 . 7024 1 421 . 1 1 44 44 THR CA C 13 59.9610 0.12 . . . . . . 44 THR CA . 7024 1 422 . 1 1 44 44 THR CB C 13 70.8820 0.12 . . . . . . 44 THR CB . 7024 1 423 . 1 1 44 44 THR CG2 C 13 21.318 0.12 . . . . . . 44 THR CG2 . 7024 1 424 . 1 1 44 44 THR N N 15 115.2720 0.113 . . . . . . 44 THR N . 7024 1 425 . 1 1 45 45 ALA H H 1 8.7110 0.028 . . . . . . 45 ALA H . 7024 1 426 . 1 1 45 45 ALA HA H 1 4.060 0.028 . . . . . . 45 ALA HA . 7024 1 427 . 1 1 45 45 ALA HB1 H 1 1.498 0.028 . . . . . . 45 ALA HB . 7024 1 428 . 1 1 45 45 ALA HB2 H 1 1.498 0.028 . . . . . . 45 ALA HB . 7024 1 429 . 1 1 45 45 ALA HB3 H 1 1.498 0.028 . . . . . . 45 ALA HB . 7024 1 430 . 1 1 45 45 ALA CA C 13 54.7010 0.12 . . . . . . 45 ALA CA . 7024 1 431 . 1 1 45 45 ALA CB C 13 17.7590 0.12 . . . . . . 45 ALA CB . 7024 1 432 . 1 1 45 45 ALA N N 15 125.8790 0.113 . . . . . . 45 ALA N . 7024 1 433 . 1 1 46 46 ALA H H 1 8.2720 0.028 . . . . . . 46 ALA H . 7024 1 434 . 1 1 46 46 ALA HA H 1 4.341 0.028 . . . . . . 46 ALA HA . 7024 1 435 . 1 1 46 46 ALA HB1 H 1 1.109 0.028 . . . . . . 46 ALA HB . 7024 1 436 . 1 1 46 46 ALA HB2 H 1 1.109 0.028 . . . . . . 46 ALA HB . 7024 1 437 . 1 1 46 46 ALA HB3 H 1 1.109 0.028 . . . . . . 46 ALA HB . 7024 1 438 . 1 1 46 46 ALA CA C 13 52.0140 0.12 . . . . . . 46 ALA CA . 7024 1 439 . 1 1 46 46 ALA CB C 13 17.7890 0.12 . . . . . . 46 ALA CB . 7024 1 440 . 1 1 46 46 ALA N N 15 120.4530 0.113 . . . . . . 46 ALA N . 7024 1 441 . 1 1 47 47 SER H H 1 8.0780 0.028 . . . . . . 47 SER H . 7024 1 442 . 1 1 47 47 SER HA H 1 3.904 0.028 . . . . . . 47 SER HA . 7024 1 443 . 1 1 47 47 SER HB2 H 1 4.019 0.028 . . . . . . 47 SER HB2 . 7024 1 444 . 1 1 47 47 SER HB3 H 1 4.019 0.028 . . . . . . 47 SER HB3 . 7024 1 445 . 1 1 47 47 SER CA C 13 59.9260 0.12 . . . . . . 47 SER CA . 7024 1 446 . 1 1 47 47 SER CB C 13 61.781 0.12 . . . . . . 47 SER CB . 7024 1 447 . 1 1 47 47 SER N N 15 111.8340 0.113 . . . . . . 47 SER N . 7024 1 448 . 1 1 48 48 ALA H H 1 6.9790 0.028 . . . . . . 48 ALA H . 7024 1 449 . 1 1 48 48 ALA HA H 1 4.060 0.028 . . . . . . 48 ALA HA . 7024 1 450 . 1 1 48 48 ALA HB1 H 1 0.744 0.028 . . . . . . 48 ALA HB . 7024 1 451 . 1 1 48 48 ALA HB2 H 1 0.744 0.028 . . . . . . 48 ALA HB . 7024 1 452 . 1 1 48 48 ALA HB3 H 1 0.744 0.028 . . . . . . 48 ALA HB . 7024 1 453 . 1 1 48 48 ALA CA C 13 51.1250 0.12 . . . . . . 48 ALA CA . 7024 1 454 . 1 1 48 48 ALA CB C 13 20.2620 0.12 . . . . . . 48 ALA CB . 7024 1 455 . 1 1 48 48 ALA N N 15 122.0140 0.113 . . . . . . 48 ALA N . 7024 1 456 . 1 1 49 49 GLN H H 1 8.1840 0.028 . . . . . . 49 GLN H . 7024 1 457 . 1 1 49 49 GLN HA H 1 5.160 0.028 . . . . . . 49 GLN HA . 7024 1 458 . 1 1 49 49 GLN HB2 H 1 1.835 0.028 . . . . . . 49 GLN HB2 . 7024 1 459 . 1 1 49 49 GLN HB3 H 1 1.638 0.028 . . . . . . 49 GLN HB3 . 7024 1 460 . 1 1 49 49 GLN CA C 13 55.1030 0.12 . . . . . . 49 GLN CA . 7024 1 461 . 1 1 49 49 GLN CB C 13 31.5740 0.12 . . . . . . 49 GLN CB . 7024 1 462 . 1 1 49 49 GLN N N 15 118.5200 0.113 . . . . . . 49 GLN N . 7024 1 463 . 1 1 50 50 VAL H H 1 9.0050 0.028 . . . . . . 50 VAL H . 7024 1 464 . 1 1 50 50 VAL HA H 1 4.162 0.028 . . . . . . 50 VAL HA . 7024 1 465 . 1 1 50 50 VAL HB H 1 2.109 0.028 . . . . . . 50 VAL HB . 7024 1 466 . 1 1 50 50 VAL HG11 H 1 1.225 0.028 . . . . . . 50 VAL HG1 . 7024 1 467 . 1 1 50 50 VAL HG12 H 1 1.225 0.028 . . . . . . 50 VAL HG1 . 7024 1 468 . 1 1 50 50 VAL HG13 H 1 1.225 0.028 . . . . . . 50 VAL HG1 . 7024 1 469 . 1 1 50 50 VAL HG21 H 1 0.969 0.028 . . . . . . 50 VAL HG2 . 7024 1 470 . 1 1 50 50 VAL HG22 H 1 0.969 0.028 . . . . . . 50 VAL HG2 . 7024 1 471 . 1 1 50 50 VAL HG23 H 1 0.969 0.028 . . . . . . 50 VAL HG2 . 7024 1 472 . 1 1 50 50 VAL CA C 13 61.6270 0.12 . . . . . . 50 VAL CA . 7024 1 473 . 1 1 50 50 VAL CB C 13 35.8810 0.12 . . . . . . 50 VAL CB . 7024 1 474 . 1 1 50 50 VAL CG1 C 13 21.701 0.12 . . . . . . 50 VAL CG1 . 7024 1 475 . 1 1 50 50 VAL CG2 C 13 20.272 0.12 . . . . . . 50 VAL CG2 . 7024 1 476 . 1 1 50 50 VAL N N 15 122.8400 0.113 . . . . . . 50 VAL N . 7024 1 477 . 1 1 51 51 CYS H H 1 9.7580 0.028 . . . . . . 51 CYS H . 7024 1 478 . 1 1 51 51 CYS HA H 1 4.739 0.028 . . . . . . 51 CYS HA . 7024 1 479 . 1 1 51 51 CYS HB2 H 1 2.737 0.028 . . . . . . 51 CYS HB2 . 7024 1 480 . 1 1 51 51 CYS HB3 H 1 2.737 0.028 . . . . . . 51 CYS HB3 . 7024 1 481 . 1 1 51 51 CYS CA C 13 57.4240 0.12 . . . . . . 51 CYS CA . 7024 1 482 . 1 1 51 51 CYS CB C 13 46.6530 0.12 . . . . . . 51 CYS CB . 7024 1 483 . 1 1 51 51 CYS N N 15 124.9820 0.113 . . . . . . 51 CYS N . 7024 1 484 . 1 1 52 52 ALA H H 1 9.8880 0.028 . . . . . . 52 ALA H . 7024 1 485 . 1 1 52 52 ALA HA H 1 4.914 0.028 . . . . . . 52 ALA HA . 7024 1 486 . 1 1 52 52 ALA HB1 H 1 1.237 0.028 . . . . . . 52 ALA HB . 7024 1 487 . 1 1 52 52 ALA HB2 H 1 1.237 0.028 . . . . . . 52 ALA HB . 7024 1 488 . 1 1 52 52 ALA HB3 H 1 1.237 0.028 . . . . . . 52 ALA HB . 7024 1 489 . 1 1 52 52 ALA CA C 13 50.5190 0.12 . . . . . . 52 ALA CA . 7024 1 490 . 1 1 52 52 ALA CB C 13 24.4080 0.12 . . . . . . 52 ALA CB . 7024 1 491 . 1 1 52 52 ALA N N 15 128.4850 0.113 . . . . . . 52 ALA N . 7024 1 492 . 1 1 53 53 ASP H H 1 8.1690 0.028 . . . . . . 53 ASP H . 7024 1 493 . 1 1 53 53 ASP HA H 1 4.893 0.028 . . . . . . 53 ASP HA . 7024 1 494 . 1 1 53 53 ASP CA C 13 52.8630 0.12 . . . . . . 53 ASP CA . 7024 1 495 . 1 1 53 53 ASP CB C 13 41.9240 0.12 . . . . . . 53 ASP CB . 7024 1 496 . 1 1 53 53 ASP N N 15 122.7730 0.113 . . . . . . 53 ASP N . 7024 1 497 . 1 1 54 54 PRO HA H 1 3.906 0.028 . . . . . . 54 PRO HA . 7024 1 498 . 1 1 54 54 PRO HB2 H 1 1.845 0.028 . . . . . . 54 PRO HB2 . 7024 1 499 . 1 1 54 54 PRO HB3 H 1 2.135 0.028 . . . . . . 54 PRO HB3 . 7024 1 500 . 1 1 54 54 PRO HG2 H 1 1.718 0.028 . . . . . . 54 PRO HG2 . 7024 1 501 . 1 1 54 54 PRO HG3 H 1 1.787 0.028 . . . . . . 54 PRO HG3 . 7024 1 502 . 1 1 54 54 PRO HD2 H 1 3.620 0.028 . . . . . . 54 PRO HD2 . 7024 1 503 . 1 1 54 54 PRO HD3 H 1 4.095 0.028 . . . . . . 54 PRO HD3 . 7024 1 504 . 1 1 54 54 PRO CA C 13 63.4400 0.12 . . . . . . 54 PRO CA . 7024 1 505 . 1 1 54 54 PRO CB C 13 32.3230 0.12 . . . . . . 54 PRO CB . 7024 1 506 . 1 1 54 54 PRO CG C 13 27.078 0.12 . . . . . . 54 PRO CG . 7024 1 507 . 1 1 54 54 PRO CD C 13 50.693 0.12 . . . . . . 54 PRO CD . 7024 1 508 . 1 1 55 55 SER H H 1 8.3780 0.028 . . . . . . 55 SER H . 7024 1 509 . 1 1 55 55 SER HA H 1 4.099 0.028 . . . . . . 55 SER HA . 7024 1 510 . 1 1 55 55 SER HB2 H 1 3.815 0.028 . . . . . . 55 SER HB2 . 7024 1 511 . 1 1 55 55 SER HB3 H 1 3.815 0.028 . . . . . . 55 SER HB3 . 7024 1 512 . 1 1 55 55 SER CA C 13 59.4360 0.12 . . . . . . 55 SER CA . 7024 1 513 . 1 1 55 55 SER CB C 13 64.0670 0.12 . . . . . . 55 SER CB . 7024 1 514 . 1 1 55 55 SER N N 15 111.8480 0.113 . . . . . . 55 SER N . 7024 1 515 . 1 1 56 56 GLU H H 1 7.5290 0.028 . . . . . . 56 GLU H . 7024 1 516 . 1 1 56 56 GLU HA H 1 4.187 0.028 . . . . . . 56 GLU HA . 7024 1 517 . 1 1 56 56 GLU HB2 H 1 1.664 0.028 . . . . . . 56 GLU HB2 . 7024 1 518 . 1 1 56 56 GLU HB3 H 1 1.773 0.028 . . . . . . 56 GLU HB3 . 7024 1 519 . 1 1 56 56 GLU HG2 H 1 2.104 0.028 . . . . . . 56 GLU HG2 . 7024 1 520 . 1 1 56 56 GLU HG3 H 1 2.249 0.028 . . . . . . 56 GLU HG3 . 7024 1 521 . 1 1 56 56 GLU CA C 13 56.2080 0.12 . . . . . . 56 GLU CA . 7024 1 522 . 1 1 56 56 GLU CB C 13 30.4640 0.12 . . . . . . 56 GLU CB . 7024 1 523 . 1 1 56 56 GLU CG C 13 36.873 0.12 . . . . . . 56 GLU CG . 7024 1 524 . 1 1 56 56 GLU N N 15 123.0430 0.113 . . . . . . 56 GLU N . 7024 1 525 . 1 1 57 57 SER H H 1 8.8200 0.028 . . . . . . 57 SER H . 7024 1 526 . 1 1 57 57 SER HA H 1 3.989 0.028 . . . . . . 57 SER HA . 7024 1 527 . 1 1 57 57 SER HB2 H 1 3.989 0.028 . . . . . . 57 SER HB2 . 7024 1 528 . 1 1 57 57 SER HB3 H 1 3.989 0.028 . . . . . . 57 SER HB3 . 7024 1 529 . 1 1 57 57 SER CA C 13 62.268 0.12 . . . . . . 57 SER CA . 7024 1 530 . 1 1 57 57 SER CB C 13 62.2680 0.12 . . . . . . 57 SER CB . 7024 1 531 . 1 1 57 57 SER N N 15 120.4770 0.113 . . . . . . 57 SER N . 7024 1 532 . 1 1 58 58 TRP H H 1 8.1530 0.028 . . . . . . 58 TRP H . 7024 1 533 . 1 1 58 58 TRP HA H 1 4.343 0.028 . . . . . . 58 TRP HA . 7024 1 534 . 1 1 58 58 TRP HB2 H 1 2.9900 0.028 . . . . . . 58 TRP HB2 . 7024 1 535 . 1 1 58 58 TRP HB3 H 1 3.0800 0.028 . . . . . . 58 TRP HB3 . 7024 1 536 . 1 1 58 58 TRP HD1 H 1 7.5360 0.028 . . . . . . 58 TRP HD1 . 7024 1 537 . 1 1 58 58 TRP HE1 H 1 10.2300 0.028 . . . . . . 58 TRP HE1 . 7024 1 538 . 1 1 58 58 TRP HE3 H 1 5.7970 0.028 . . . . . . 58 TRP HE3 . 7024 1 539 . 1 1 58 58 TRP HZ2 H 1 7.3640 0.028 . . . . . . 58 TRP HZ2 . 7024 1 540 . 1 1 58 58 TRP HZ3 H 1 6.2800 0.028 . . . . . . 58 TRP HZ3 . 7024 1 541 . 1 1 58 58 TRP HH2 H 1 6.7740 0.028 . . . . . . 58 TRP HH2 . 7024 1 542 . 1 1 58 58 TRP CA C 13 59.1940 0.12 . . . . . . 58 TRP CA . 7024 1 543 . 1 1 58 58 TRP CB C 13 26.9200 0.12 . . . . . . 58 TRP CB . 7024 1 544 . 1 1 58 58 TRP CD1 C 13 128.3000 0.12 . . . . . . 58 TRP CD1 . 7024 1 545 . 1 1 58 58 TRP CE3 C 13 121.5000 0.12 . . . . . . 58 TRP CE3 . 7024 1 546 . 1 1 58 58 TRP CZ2 C 13 115.9400 0.12 . . . . . . 58 TRP CZ2 . 7024 1 547 . 1 1 58 58 TRP CZ3 C 13 121.9000 0.12 . . . . . . 58 TRP CZ3 . 7024 1 548 . 1 1 58 58 TRP CH2 C 13 122.4000 0.12 . . . . . . 58 TRP CH2 . 7024 1 549 . 1 1 58 58 TRP N N 15 119.5500 0.113 . . . . . . 58 TRP N . 7024 1 550 . 1 1 58 58 TRP NE1 N 15 130.3610 0.113 . . . . . . 58 TRP NE1 . 7024 1 551 . 1 1 59 59 VAL H H 1 5.5950 0.028 . . . . . . 59 VAL H . 7024 1 552 . 1 1 59 59 VAL HA H 1 2.656 0.028 . . . . . . 59 VAL HA . 7024 1 553 . 1 1 59 59 VAL HB H 1 1.723 0.028 . . . . . . 59 VAL HB . 7024 1 554 . 1 1 59 59 VAL HG11 H 1 0.373 0.028 . . . . . . 59 VAL HG1 . 7024 1 555 . 1 1 59 59 VAL HG12 H 1 0.373 0.028 . . . . . . 59 VAL HG1 . 7024 1 556 . 1 1 59 59 VAL HG13 H 1 0.373 0.028 . . . . . . 59 VAL HG1 . 7024 1 557 . 1 1 59 59 VAL HG21 H 1 -0.708 0.028 . . . . . . 59 VAL HG2 . 7024 1 558 . 1 1 59 59 VAL HG22 H 1 -0.708 0.028 . . . . . . 59 VAL HG2 . 7024 1 559 . 1 1 59 59 VAL HG23 H 1 -0.708 0.028 . . . . . . 59 VAL HG2 . 7024 1 560 . 1 1 59 59 VAL CA C 13 65.7730 0.12 . . . . . . 59 VAL CA . 7024 1 561 . 1 1 59 59 VAL CB C 13 30.9260 0.12 . . . . . . 59 VAL CB . 7024 1 562 . 1 1 59 59 VAL CG1 C 13 20.371 0.12 . . . . . . 59 VAL CG1 . 7024 1 563 . 1 1 59 59 VAL CG2 C 13 22.139 0.12 . . . . . . 59 VAL CG2 . 7024 1 564 . 1 1 59 59 VAL N N 15 122.4190 0.113 . . . . . . 59 VAL N . 7024 1 565 . 1 1 60 60 GLN H H 1 6.9330 0.028 . . . . . . 60 GLN H . 7024 1 566 . 1 1 60 60 GLN HA H 1 3.756 0.028 . . . . . . 60 GLN HA . 7024 1 567 . 1 1 60 60 GLN HB2 H 1 1.976 0.028 . . . . . . 60 GLN HB2 . 7024 1 568 . 1 1 60 60 GLN HB3 H 1 2.044 0.028 . . . . . . 60 GLN HB3 . 7024 1 569 . 1 1 60 60 GLN HG2 H 1 2.369 0.028 . . . . . . 60 GLN HG2 . 7024 1 570 . 1 1 60 60 GLN HG3 H 1 2.369 0.028 . . . . . . 60 GLN HG3 . 7024 1 571 . 1 1 60 60 GLN CA C 13 58.2740 0.12 . . . . . . 60 GLN CA . 7024 1 572 . 1 1 60 60 GLN CB C 13 27.7960 0.12 . . . . . . 60 GLN CB . 7024 1 573 . 1 1 60 60 GLN CG C 13 33.422 0.12 . . . . . . 60 GLN CG . 7024 1 574 . 1 1 60 60 GLN N N 15 116.1850 0.113 . . . . . . 60 GLN N . 7024 1 575 . 1 1 61 61 GLU H H 1 8.2090 0.028 . . . . . . 61 GLU H . 7024 1 576 . 1 1 61 61 GLU HA H 1 4.071 0.028 . . . . . . 61 GLU HA . 7024 1 577 . 1 1 61 61 GLU HB2 H 1 2.314 0.028 . . . . . . 61 GLU HB2 . 7024 1 578 . 1 1 61 61 GLU HB3 H 1 2.314 0.028 . . . . . . 61 GLU HB3 . 7024 1 579 . 1 1 61 61 GLU HG2 H 1 2.310 0.028 . . . . . . 61 GLU HG2 . 7024 1 580 . 1 1 61 61 GLU HG3 H 1 2.528 0.028 . . . . . . 61 GLU HG3 . 7024 1 581 . 1 1 61 61 GLU CA C 13 59.4280 0.12 . . . . . . 61 GLU CA . 7024 1 582 . 1 1 61 61 GLU CB C 13 29.5110 0.12 . . . . . . 61 GLU CB . 7024 1 583 . 1 1 61 61 GLU CG C 13 36.514 0.12 . . . . . . 61 GLU CG . 7024 1 584 . 1 1 61 61 GLU N N 15 119.6170 0.113 . . . . . . 61 GLU N . 7024 1 585 . 1 1 62 62 TYR H H 1 8.6640 0.028 . . . . . . 62 TYR H . 7024 1 586 . 1 1 62 62 TYR HA H 1 4.410 0.028 . . . . . . 62 TYR HA . 7024 1 587 . 1 1 62 62 TYR HB2 H 1 3.570 0.028 . . . . . . 62 TYR HB2 . 7024 1 588 . 1 1 62 62 TYR HB3 H 1 2.773 0.028 . . . . . . 62 TYR HB3 . 7024 1 589 . 1 1 62 62 TYR HD1 H 1 6.7360 0.028 . . . . . . 62 TYR HD1 . 7024 1 590 . 1 1 62 62 TYR HE1 H 1 6.7120 0.028 . . . . . . 62 TYR HE1 . 7024 1 591 . 1 1 62 62 TYR CA C 13 59.6930 0.12 . . . . . . 62 TYR CA . 7024 1 592 . 1 1 62 62 TYR CB C 13 37.4550 0.12 . . . . . . 62 TYR CB . 7024 1 593 . 1 1 62 62 TYR CD1 C 13 130.6000 0.12 . . . . . . 62 TYR CD1 . 7024 1 594 . 1 1 62 62 TYR CE1 C 13 117.3000 0.12 . . . . . . 62 TYR CE1 . 7024 1 595 . 1 1 62 62 TYR N N 15 122.1140 0.113 . . . . . . 62 TYR N . 7024 1 596 . 1 1 63 63 VAL H H 1 8.1770 0.028 . . . . . . 63 VAL H . 7024 1 597 . 1 1 63 63 VAL HA H 1 3.090 0.028 . . . . . . 63 VAL HA . 7024 1 598 . 1 1 63 63 VAL HB H 1 1.803 0.028 . . . . . . 63 VAL HB . 7024 1 599 . 1 1 63 63 VAL HG11 H 1 0.416 0.028 . . . . . . 63 VAL HG1 . 7024 1 600 . 1 1 63 63 VAL HG12 H 1 0.416 0.028 . . . . . . 63 VAL HG1 . 7024 1 601 . 1 1 63 63 VAL HG13 H 1 0.416 0.028 . . . . . . 63 VAL HG1 . 7024 1 602 . 1 1 63 63 VAL HG21 H 1 0.474 0.028 . . . . . . 63 VAL HG2 . 7024 1 603 . 1 1 63 63 VAL HG22 H 1 0.474 0.028 . . . . . . 63 VAL HG2 . 7024 1 604 . 1 1 63 63 VAL HG23 H 1 0.474 0.028 . . . . . . 63 VAL HG2 . 7024 1 605 . 1 1 63 63 VAL CA C 13 67.4060 0.12 . . . . . . 63 VAL CA . 7024 1 606 . 1 1 63 63 VAL CB C 13 31.5740 0.12 . . . . . . 63 VAL CB . 7024 1 607 . 1 1 63 63 VAL CG1 C 13 22.869 0.12 . . . . . . 63 VAL CG1 . 7024 1 608 . 1 1 63 63 VAL CG2 C 13 20.768 0.12 . . . . . . 63 VAL CG2 . 7024 1 609 . 1 1 63 63 VAL N N 15 118.7630 0.113 . . . . . . 63 VAL N . 7024 1 610 . 1 1 64 64 TYR H H 1 7.7770 0.028 . . . . . . 64 TYR H . 7024 1 611 . 1 1 64 64 TYR HA H 1 4.169 0.028 . . . . . . 64 TYR HA . 7024 1 612 . 1 1 64 64 TYR HB2 H 1 3.111 0.028 . . . . . . 64 TYR HB2 . 7024 1 613 . 1 1 64 64 TYR HB3 H 1 3.185 0.028 . . . . . . 64 TYR HB3 . 7024 1 614 . 1 1 64 64 TYR HD1 H 1 7.1970 0.028 . . . . . . 64 TYR HD1 . 7024 1 615 . 1 1 64 64 TYR HE1 H 1 6.8170 0.028 . . . . . . 64 TYR HE1 . 7024 1 616 . 1 1 64 64 TYR CA C 13 60.9580 0.12 . . . . . . 64 TYR CA . 7024 1 617 . 1 1 64 64 TYR CB C 13 38.0920 0.12 . . . . . . 64 TYR CB . 7024 1 618 . 1 1 64 64 TYR CD1 C 13 133.5000 0.12 . . . . . . 64 TYR CD1 . 7024 1 619 . 1 1 64 64 TYR CE1 C 13 118.2000 0.12 . . . . . . 64 TYR CE1 . 7024 1 620 . 1 1 64 64 TYR N N 15 117.6540 0.113 . . . . . . 64 TYR N . 7024 1 621 . 1 1 65 65 ASP H H 1 7.9520 0.028 . . . . . . 65 ASP H . 7024 1 622 . 1 1 65 65 ASP HA H 1 4.419 0.028 . . . . . . 65 ASP HA . 7024 1 623 . 1 1 65 65 ASP HB2 H 1 2.725 0.028 . . . . . . 65 ASP HB2 . 7024 1 624 . 1 1 65 65 ASP HB3 H 1 2.913 0.028 . . . . . . 65 ASP HB3 . 7024 1 625 . 1 1 65 65 ASP CA C 13 57.4360 0.12 . . . . . . 65 ASP CA . 7024 1 626 . 1 1 65 65 ASP CB C 13 42.9580 0.12 . . . . . . 65 ASP CB . 7024 1 627 . 1 1 65 65 ASP N N 15 118.3930 0.113 . . . . . . 65 ASP N . 7024 1 628 . 1 1 66 66 LEU H H 1 8.4450 0.028 . . . . . . 66 LEU H . 7024 1 629 . 1 1 66 66 LEU HA H 1 4.099 0.028 . . . . . . 66 LEU HA . 7024 1 630 . 1 1 66 66 LEU HB2 H 1 1.738 0.028 . . . . . . 66 LEU HB2 . 7024 1 631 . 1 1 66 66 LEU HB3 H 1 2.061 0.028 . . . . . . 66 LEU HB3 . 7024 1 632 . 1 1 66 66 LEU HG H 1 1.798 0.028 . . . . . . 66 LEU HG . 7024 1 633 . 1 1 66 66 LEU HD11 H 1 0.950 0.028 . . . . . . 66 LEU HD1 . 7024 1 634 . 1 1 66 66 LEU HD12 H 1 0.950 0.028 . . . . . . 66 LEU HD1 . 7024 1 635 . 1 1 66 66 LEU HD13 H 1 0.950 0.028 . . . . . . 66 LEU HD1 . 7024 1 636 . 1 1 66 66 LEU CA C 13 57.2640 0.12 . . . . . . 66 LEU CA . 7024 1 637 . 1 1 66 66 LEU CB C 13 42.7040 0.12 . . . . . . 66 LEU CB . 7024 1 638 . 1 1 66 66 LEU CG C 13 27.585 0.12 . . . . . . 66 LEU CG . 7024 1 639 . 1 1 66 66 LEU CD1 C 13 26.959 0.12 . . . . . . 66 LEU CD1 . 7024 1 640 . 1 1 66 66 LEU N N 15 119.5930 0.113 . . . . . . 66 LEU N . 7024 1 641 . 1 1 67 67 GLU H H 1 7.9050 0.028 . . . . . . 67 GLU H . 7024 1 642 . 1 1 67 67 GLU HA H 1 4.319 0.028 . . . . . . 67 GLU HA . 7024 1 643 . 1 1 67 67 GLU HB2 H 1 2.057 0.028 . . . . . . 67 GLU HB2 . 7024 1 644 . 1 1 67 67 GLU HB3 H 1 2.149 0.028 . . . . . . 67 GLU HB3 . 7024 1 645 . 1 1 67 67 GLU HG2 H 1 2.455 0.028 . . . . . . 67 GLU HG2 . 7024 1 646 . 1 1 67 67 GLU HG3 H 1 2.499 0.028 . . . . . . 67 GLU HG3 . 7024 1 647 . 1 1 67 67 GLU CA C 13 57.4360 0.12 . . . . . . 67 GLU CA . 7024 1 648 . 1 1 67 67 GLU CB C 13 30.1490 0.12 . . . . . . 67 GLU CB . 7024 1 649 . 1 1 67 67 GLU CG C 13 36.302 0.12 . . . . . . 67 GLU CG . 7024 1 650 . 1 1 67 67 GLU N N 15 118.2670 0.113 . . . . . . 67 GLU N . 7024 1 651 . 1 1 68 68 LEU H H 1 7.5720 0.028 . . . . . . 68 LEU H . 7024 1 652 . 1 1 68 68 LEU HA H 1 4.243 0.028 . . . . . . 68 LEU HA . 7024 1 653 . 1 1 68 68 LEU HB2 H 1 1.569 0.028 . . . . . . 68 LEU HB2 . 7024 1 654 . 1 1 68 68 LEU HB3 H 1 1.667 0.028 . . . . . . 68 LEU HB3 . 7024 1 655 . 1 1 68 68 LEU HG H 1 1.664 0.028 . . . . . . 68 LEU HG . 7024 1 656 . 1 1 68 68 LEU HD11 H 1 0.817 0.028 . . . . . . 68 LEU HD1 . 7024 1 657 . 1 1 68 68 LEU HD12 H 1 0.817 0.028 . . . . . . 68 LEU HD1 . 7024 1 658 . 1 1 68 68 LEU HD13 H 1 0.817 0.028 . . . . . . 68 LEU HD1 . 7024 1 659 . 1 1 68 68 LEU CA C 13 55.8060 0.12 . . . . . . 68 LEU CA . 7024 1 660 . 1 1 68 68 LEU CB C 13 42.5310 0.12 . . . . . . 68 LEU CB . 7024 1 661 . 1 1 68 68 LEU CG C 13 26.594 0.12 . . . . . . 68 LEU CG . 7024 1 662 . 1 1 68 68 LEU CD1 C 13 23.539 0.12 . . . . . . 68 LEU CD1 . 7024 1 663 . 1 1 68 68 LEU N N 15 120.9570 0.113 . . . . . . 68 LEU N . 7024 1 664 . 1 1 69 69 ASN H H 1 7.6670 0.028 . . . . . . 69 ASN H . 7024 1 665 . 1 1 69 69 ASN CA C 13 54.9240 0.12 . . . . . . 69 ASN CA . 7024 1 666 . 1 1 69 69 ASN CB C 13 41.0150 0.12 . . . . . . 69 ASN CB . 7024 1 667 . 1 1 69 69 ASN N N 15 124.0200 0.113 . . . . . . 69 ASN N . 7024 1 668 . 2 2 17 17 GLU H H 1 8.4772 0.011 . . . . . . 17 GLU H . 7024 1 669 . 2 2 17 17 GLU C C 13 176.464 0.325 . . . . . . 17 GLU C . 7024 1 670 . 2 2 17 17 GLU CA C 13 55.8785 0.325 . . . . . . 17 GLU CA . 7024 1 671 . 2 2 17 17 GLU CB C 13 29.4452 0.325 . . . . . . 17 GLU CB . 7024 1 672 . 2 2 17 17 GLU N N 15 123.7010 0.113 . . . . . . 17 GLU N . 7024 1 673 . 2 2 18 18 GLU H H 1 8.2705 0.011 . . . . . . 18 GLU H . 7024 1 674 . 2 2 18 18 GLU C C 13 176.401 0.325 . . . . . . 18 GLU C . 7024 1 675 . 2 2 18 18 GLU CA C 13 56.061 0.325 . . . . . . 18 GLU CA . 7024 1 676 . 2 2 18 18 GLU CB C 13 30.0149 0.325 . . . . . . 18 GLU CB . 7024 1 677 . 2 2 18 18 GLU N N 15 121.9503 0.113 . . . . . . 18 GLU N . 7024 1 678 . 2 2 19 19 GLU H H 1 8.4774 0.011 . . . . . . 19 GLU H . 7024 1 679 . 2 2 19 19 GLU C C 13 172.990 0.325 . . . . . . 19 GLU C . 7024 1 680 . 2 2 19 19 GLU CA C 13 57.201 0.325 . . . . . . 19 GLU CA . 7024 1 681 . 2 2 19 19 GLU CB C 13 29.399 0.325 . . . . . . 19 GLU CB . 7024 1 682 . 2 2 19 19 GLU N N 15 122.5482 0.113 . . . . . . 19 GLU N . 7024 1 683 . 2 2 20 20 ASN H H 1 8.6478 0.011 . . . . . . 20 ASN H . 7024 1 684 . 2 2 20 20 ASN C C 13 173.870 0.325 . . . . . . 20 ASN C . 7024 1 685 . 2 2 20 20 ASN CA C 13 53.550 0.325 . . . . . . 20 ASN CA . 7024 1 686 . 2 2 20 20 ASN CB C 13 37.888 0.325 . . . . . . 20 ASN CB . 7024 1 687 . 2 2 20 20 ASN N N 15 116.2207 0.113 . . . . . . 20 ASN N . 7024 1 688 . 2 2 21 21 LYS H H 1 7.1588 0.011 . . . . . . 21 LYS H . 7024 1 689 . 2 2 21 21 LYS C C 13 175.273 0.325 . . . . . . 21 LYS C . 7024 1 690 . 2 2 21 21 LYS CA C 13 54.3963 0.325 . . . . . . 21 LYS CA . 7024 1 691 . 2 2 21 21 LYS CB C 13 34.855 0.325 . . . . . . 21 LYS CB . 7024 1 692 . 2 2 21 21 LYS N N 15 116.3596 0.113 . . . . . . 21 LYS N . 7024 1 693 . 2 2 22 22 HIS H H 1 9.2475 0.011 . . . . . . 22 HIS H . 7024 1 694 . 2 2 22 22 HIS C C 13 175.137 0.325 . . . . . . 22 HIS C . 7024 1 695 . 2 2 22 22 HIS CA C 13 54.573 0.325 . . . . . . 22 HIS CA . 7024 1 696 . 2 2 22 22 HIS CB C 13 32.1460 0.325 . . . . . . 22 HIS CB . 7024 1 697 . 2 2 22 22 HIS N N 15 116.7666 0.113 . . . . . . 22 HIS N . 7024 1 698 . 2 2 23 23 HIS H H 1 9.9487 0.011 . . . . . . 23 HIS H . 7024 1 699 . 2 2 23 23 HIS C C 13 174.437 0.325 . . . . . . 23 HIS C . 7024 1 700 . 2 2 23 23 HIS CA C 13 54.636 0.325 . . . . . . 23 HIS CA . 7024 1 701 . 2 2 23 23 HIS CB C 13 26.4697 0.325 . . . . . . 23 HIS CB . 7024 1 702 . 2 2 23 23 HIS N N 15 127.9639 0.113 . . . . . . 23 HIS N . 7024 1 703 . 2 2 24 24 MET H H 1 7.8325 0.011 . . . . . . 24 MET H . 7024 1 704 . 2 2 24 24 MET C C 13 176.539 0.325 . . . . . . 24 MET C . 7024 1 705 . 2 2 24 24 MET CA C 13 52.802 0.325 . . . . . . 24 MET CA . 7024 1 706 . 2 2 24 24 MET CB C 13 29.345 0.325 . . . . . . 24 MET CB . 7024 1 707 . 2 2 24 24 MET N N 15 121.4663 0.113 . . . . . . 24 MET N . 7024 1 708 . 2 2 25 25 GLY H H 1 9.5646 0.011 . . . . . . 25 GLY H . 7024 1 709 . 2 2 25 25 GLY C C 13 169.811 0.325 . . . . . . 25 GLY C . 7024 1 710 . 2 2 25 25 GLY CA C 13 42.74 0.325 . . . . . . 25 GLY CA . 7024 1 711 . 2 2 25 25 GLY N N 15 109.5229 0.113 . . . . . . 25 GLY N . 7024 1 712 . 2 2 26 26 ILE H H 1 8.2662 0.011 . . . . . . 26 ILE H . 7024 1 713 . 2 2 26 26 ILE C C 13 172.390 0.325 . . . . . . 26 ILE C . 7024 1 714 . 2 2 26 26 ILE CA C 13 56.8748 0.325 . . . . . . 26 ILE CA . 7024 1 715 . 2 2 26 26 ILE CB C 13 42.165 0.325 . . . . . . 26 ILE CB . 7024 1 716 . 2 2 26 26 ILE N N 15 115.2975 0.113 . . . . . . 26 ILE N . 7024 1 717 . 2 2 27 27 ASP H H 1 8.8485 0.011 . . . . . . 27 ASP H . 7024 1 718 . 2 2 27 27 ASP C C 13 173.635 0.325 . . . . . . 27 ASP C . 7024 1 719 . 2 2 27 27 ASP CA C 13 54.233 0.325 . . . . . . 27 ASP CA . 7024 1 720 . 2 2 27 27 ASP CB C 13 45.1676 0.325 . . . . . . 27 ASP CB . 7024 1 721 . 2 2 27 27 ASP N N 15 127.0619 0.113 . . . . . . 27 ASP N . 7024 1 722 . 2 2 28 28 VAL H H 1 9.4421 0.011 . . . . . . 28 VAL H . 7024 1 723 . 2 2 28 28 VAL N N 15 128.4793 0.113 . . . . . . 28 VAL N . 7024 1 724 . 2 2 30 30 ILE H H 1 8.777 0.011 . . . . . . 30 ILE H . 7024 1 725 . 2 2 30 30 ILE C C 13 170.920 0.325 . . . . . . 30 ILE C . 7024 1 726 . 2 2 30 30 ILE CA C 13 58.869 0.325 . . . . . . 30 ILE CA . 7024 1 727 . 2 2 30 30 ILE CB C 13 42.335 0.325 . . . . . . 30 ILE CB . 7024 1 728 . 2 2 30 30 ILE N N 15 120.386 0.113 . . . . . . 30 ILE N . 7024 1 729 . 2 2 31 31 LYS H H 1 9.0110 0.011 . . . . . . 31 LYS H . 7024 1 730 . 2 2 31 31 LYS C C 13 176.217 0.325 . . . . . . 31 LYS C . 7024 1 731 . 2 2 31 31 LYS CA C 13 54.978 0.325 . . . . . . 31 LYS CA . 7024 1 732 . 2 2 31 31 LYS CB C 13 36.074 0.325 . . . . . . 31 LYS CB . 7024 1 733 . 2 2 31 31 LYS N N 15 127.0718 0.113 . . . . . . 31 LYS N . 7024 1 734 . 2 2 32 32 VAL H H 1 9.7599 0.011 . . . . . . 32 VAL H . 7024 1 735 . 2 2 32 32 VAL C C 13 175.007 0.325 . . . . . . 32 VAL C . 7024 1 736 . 2 2 32 32 VAL N N 15 130.0904 0.113 . . . . . . 32 VAL N . 7024 1 737 . 2 2 33 33 THR H H 1 9.0244 0.011 . . . . . . 33 THR H . 7024 1 738 . 2 2 33 33 THR C C 13 174.789 0.325 . . . . . . 33 THR C . 7024 1 739 . 2 2 33 33 THR CA C 13 61.7372 0.325 . . . . . . 33 THR CA . 7024 1 740 . 2 2 33 33 THR CB C 13 68.7893 0.325 . . . . . . 33 THR CB . 7024 1 741 . 2 2 33 33 THR N N 15 123.6228 0.113 . . . . . . 33 THR N . 7024 1 742 . 2 2 34 34 LYS H H 1 9.1496 0.011 . . . . . . 34 LYS H . 7024 1 743 . 2 2 34 34 LYS C C 13 176.183 0.325 . . . . . . 34 LYS C . 7024 1 744 . 2 2 34 34 LYS CA C 13 56.3639 0.325 . . . . . . 34 LYS CA . 7024 1 745 . 2 2 34 34 LYS CB C 13 32.2347 0.325 . . . . . . 34 LYS CB . 7024 1 746 . 2 2 34 34 LYS N N 15 128.3265 0.113 . . . . . . 34 LYS N . 7024 1 747 . 2 2 35 35 GLN H H 1 7.3971 0.011 . . . . . . 35 GLN H . 7024 1 748 . 2 2 35 35 GLN C C 13 176.421 0.325 . . . . . . 35 GLN C . 7024 1 749 . 2 2 35 35 GLN CA C 13 55.888 0.325 . . . . . . 35 GLN CA . 7024 1 750 . 2 2 35 35 GLN CB C 13 27.3182 0.325 . . . . . . 35 GLN CB . 7024 1 751 . 2 2 35 35 GLN N N 15 116.2795 0.113 . . . . . . 35 GLN N . 7024 1 752 . 2 2 36 36 ASP H H 1 8.7181 0.011 . . . . . . 36 ASP H . 7024 1 753 . 2 2 36 36 ASP C C 13 171.654 0.325 . . . . . . 36 ASP C . 7024 1 754 . 2 2 36 36 ASP CA C 13 55.574 0.325 . . . . . . 36 ASP CA . 7024 1 755 . 2 2 36 36 ASP CB C 13 40.1024 0.325 . . . . . . 36 ASP CB . 7024 1 756 . 2 2 36 36 ASP N N 15 122.4009 0.113 . . . . . . 36 ASP N . 7024 1 757 . 2 2 37 37 GLN H H 1 7.7876 0.011 . . . . . . 37 GLN H . 7024 1 758 . 2 2 37 37 GLN C C 13 174.193 0.325 . . . . . . 37 GLN C . 7024 1 759 . 2 2 37 37 GLN CA C 13 55.203 0.325 . . . . . . 37 GLN CA . 7024 1 760 . 2 2 37 37 GLN CB C 13 31.272 0.325 . . . . . . 37 GLN CB . 7024 1 761 . 2 2 37 37 GLN N N 15 121.9198 0.113 . . . . . . 37 GLN N . 7024 1 762 . 2 2 38 38 THR H H 1 8.3128 0.011 . . . . . . 38 THR H . 7024 1 763 . 2 2 38 38 THR CA C 13 58.398 0.325 . . . . . . 38 THR CA . 7024 1 764 . 2 2 38 38 THR CB C 13 70.607 0.325 . . . . . . 38 THR CB . 7024 1 765 . 2 2 38 38 THR N N 15 117.2693 0.113 . . . . . . 38 THR N . 7024 1 766 . 2 2 40 40 THR H H 1 8.3759 0.011 . . . . . . 40 THR H . 7024 1 767 . 2 2 40 40 THR C C 13 173.812 0.325 . . . . . . 40 THR C . 7024 1 768 . 2 2 40 40 THR CA C 13 62.2130 0.325 . . . . . . 40 THR CA . 7024 1 769 . 2 2 40 40 THR CB C 13 69.0553 0.325 . . . . . . 40 THR CB . 7024 1 770 . 2 2 40 40 THR N N 15 114.8970 0.113 . . . . . . 40 THR N . 7024 1 771 . 2 2 41 41 ASN H H 1 8.394 0.011 . . . . . . 41 ASN H . 7024 1 772 . 2 2 41 41 ASN C C 13 173.047 0.325 . . . . . . 41 ASN C . 7024 1 773 . 2 2 41 41 ASN CA C 13 53.687 0.325 . . . . . . 41 ASN CA . 7024 1 774 . 2 2 41 41 ASN CB C 13 38.381 0.325 . . . . . . 41 ASN CB . 7024 1 775 . 2 2 41 41 ASN N N 15 123.632 0.113 . . . . . . 41 ASN N . 7024 1 776 . 2 2 42 42 ASP H H 1 8.2946 0.011 . . . . . . 42 ASP H . 7024 1 777 . 2 2 42 42 ASP C C 13 177.020 0.325 . . . . . . 42 ASP C . 7024 1 778 . 2 2 42 42 ASP CA C 13 51.9358 0.325 . . . . . . 42 ASP CA . 7024 1 779 . 2 2 42 42 ASP CB C 13 40.2930 0.325 . . . . . . 42 ASP CB . 7024 1 780 . 2 2 42 42 ASP N N 15 122.6210 0.113 . . . . . . 42 ASP N . 7024 1 781 . 2 2 43 43 LYS H H 1 8.2959 0.011 . . . . . . 43 LYS H . 7024 1 782 . 2 2 43 43 LYS C C 13 176.756 0.325 . . . . . . 43 LYS C . 7024 1 783 . 2 2 43 43 LYS CA C 13 56.004 0.325 . . . . . . 43 LYS CA . 7024 1 784 . 2 2 43 43 LYS CB C 13 29.957 0.325 . . . . . . 43 LYS CB . 7024 1 785 . 2 2 43 43 LYS N N 15 121.2271 0.113 . . . . . . 43 LYS N . 7024 1 786 . 2 2 44 44 ILE H H 1 7.5065 0.011 . . . . . . 44 ILE H . 7024 1 787 . 2 2 44 44 ILE C C 13 176.428 0.325 . . . . . . 44 ILE C . 7024 1 788 . 2 2 44 44 ILE CA C 13 60.2073 0.325 . . . . . . 44 ILE CA . 7024 1 789 . 2 2 44 44 ILE CB C 13 38.7746 0.325 . . . . . . 44 ILE CB . 7024 1 790 . 2 2 44 44 ILE N N 15 115.5853 0.113 . . . . . . 44 ILE N . 7024 1 791 . 2 2 45 45 CYS H H 1 8.6911 0.011 . . . . . . 45 CYS H . 7024 1 792 . 2 2 45 45 CYS C C 13 175.723 0.325 . . . . . . 45 CYS C . 7024 1 793 . 2 2 45 45 CYS CA C 13 52.584 0.325 . . . . . . 45 CYS CA . 7024 1 794 . 2 2 45 45 CYS CB C 13 34.458 0.325 . . . . . . 45 CYS CB . 7024 1 795 . 2 2 45 45 CYS N N 15 109.6962 0.113 . . . . . . 45 CYS N . 7024 1 796 . 2 2 46 46 GLN H H 1 9.0894 0.011 . . . . . . 46 GLN H . 7024 1 797 . 2 2 46 46 GLN C C 13 177.761 0.325 . . . . . . 46 GLN C . 7024 1 798 . 2 2 46 46 GLN CA C 13 59.737 0.325 . . . . . . 46 GLN CA . 7024 1 799 . 2 2 46 46 GLN CB C 13 28.521 0.325 . . . . . . 46 GLN CB . 7024 1 800 . 2 2 46 46 GLN N N 15 119.7933 0.113 . . . . . . 46 GLN N . 7024 1 801 . 2 2 47 47 SER H H 1 7.6621 0.011 . . . . . . 47 SER H . 7024 1 802 . 2 2 47 47 SER C C 13 172.834 0.325 . . . . . . 47 SER C . 7024 1 803 . 2 2 47 47 SER CA C 13 58.2220 0.325 . . . . . . 47 SER CA . 7024 1 804 . 2 2 47 47 SER CB C 13 64.2935 0.325 . . . . . . 47 SER CB . 7024 1 805 . 2 2 47 47 SER N N 15 108.6086 0.113 . . . . . . 47 SER N . 7024 1 806 . 2 2 48 48 VAL H H 1 8.4310 0.011 . . . . . . 48 VAL H . 7024 1 807 . 2 2 48 48 VAL C C 13 175.627 0.325 . . . . . . 48 VAL C . 7024 1 808 . 2 2 48 48 VAL CA C 13 61.0005 0.325 . . . . . . 48 VAL CA . 7024 1 809 . 2 2 48 48 VAL CB C 13 34.0859 0.325 . . . . . . 48 VAL CB . 7024 1 810 . 2 2 48 48 VAL N N 15 124.7000 0.113 . . . . . . 48 VAL N . 7024 1 811 . 2 2 49 49 THR H H 1 8.7091 0.011 . . . . . . 49 THR H . 7024 1 812 . 2 2 49 49 THR C C 13 176.544 0.325 . . . . . . 49 THR C . 7024 1 813 . 2 2 49 49 THR CA C 13 60.490 0.325 . . . . . . 49 THR CA . 7024 1 814 . 2 2 49 49 THR CB C 13 71.467 0.325 . . . . . . 49 THR CB . 7024 1 815 . 2 2 49 49 THR N N 15 120.1580 0.113 . . . . . . 49 THR N . 7024 1 816 . 2 2 50 50 GLU H H 1 8.4857 0.011 . . . . . . 50 GLU H . 7024 1 817 . 2 2 50 50 GLU C C 13 175.011 0.325 . . . . . . 50 GLU C . 7024 1 818 . 2 2 50 50 GLU CA C 13 54.103 0.325 . . . . . . 50 GLU CA . 7024 1 819 . 2 2 50 50 GLU CB C 13 32.001 0.325 . . . . . . 50 GLU CB . 7024 1 820 . 2 2 50 50 GLU N N 15 125.3885 0.113 . . . . . . 50 GLU N . 7024 1 821 . 2 2 51 51 ILE H H 1 8.9360 0.011 . . . . . . 51 ILE H . 7024 1 822 . 2 2 51 51 ILE C C 13 173.848 0.325 . . . . . . 51 ILE C . 7024 1 823 . 2 2 51 51 ILE CA C 13 59.9726 0.325 . . . . . . 51 ILE CA . 7024 1 824 . 2 2 51 51 ILE CB C 13 41.3623 0.325 . . . . . . 51 ILE CB . 7024 1 825 . 2 2 51 51 ILE N N 15 126.4737 0.113 . . . . . . 51 ILE N . 7024 1 826 . 2 2 52 52 THR H H 1 8.4675 0.011 . . . . . . 52 THR H . 7024 1 827 . 2 2 52 52 THR C C 13 173.838 0.325 . . . . . . 52 THR C . 7024 1 828 . 2 2 52 52 THR CA C 13 60.871 0.325 . . . . . . 52 THR CA . 7024 1 829 . 2 2 52 52 THR CB C 13 69.9709 0.325 . . . . . . 52 THR CB . 7024 1 830 . 2 2 52 52 THR N N 15 120.7241 0.113 . . . . . . 52 THR N . 7024 1 831 . 2 2 53 53 GLU H H 1 8.748 0.011 . . . . . . 53 GLU H . 7024 1 832 . 2 2 53 53 GLU C C 13 174.309 0.325 . . . . . . 53 GLU C . 7024 1 833 . 2 2 53 53 GLU CA C 13 55.9512 0.325 . . . . . . 53 GLU CA . 7024 1 834 . 2 2 53 53 GLU CB C 13 29.7614 0.325 . . . . . . 53 GLU CB . 7024 1 835 . 2 2 53 53 GLU N N 15 127.524 0.113 . . . . . . 53 GLU N . 7024 1 836 . 2 2 54 54 SER H H 1 8.0463 0.011 . . . . . . 54 SER H . 7024 1 837 . 2 2 54 54 SER C C 13 173.940 0.325 . . . . . . 54 SER C . 7024 1 838 . 2 2 54 54 SER CA C 13 57.1573 0.325 . . . . . . 54 SER CA . 7024 1 839 . 2 2 54 54 SER CB C 13 64.8258 0.325 . . . . . . 54 SER CB . 7024 1 840 . 2 2 54 54 SER N N 15 117.5771 0.113 . . . . . . 54 SER N . 7024 1 841 . 2 2 55 55 GLU H H 1 8.858 0.011 . . . . . . 55 GLU H . 7024 1 842 . 2 2 55 55 GLU C C 13 176.470 0.325 . . . . . . 55 GLU C . 7024 1 843 . 2 2 55 55 GLU CA C 13 56.444 0.325 . . . . . . 55 GLU CA . 7024 1 844 . 2 2 55 55 GLU CB C 13 29.8328 0.325 . . . . . . 55 GLU CB . 7024 1 845 . 2 2 55 55 GLU N N 15 122.977 0.113 . . . . . . 55 GLU N . 7024 1 846 . 2 2 56 56 SER H H 1 8.3421 0.011 . . . . . . 56 SER H . 7024 1 847 . 2 2 56 56 SER C C 13 173.812 0.325 . . . . . . 56 SER C . 7024 1 848 . 2 2 56 56 SER CA C 13 57.913 0.325 . . . . . . 56 SER CA . 7024 1 849 . 2 2 56 56 SER CB C 13 63.761 0.325 . . . . . . 56 SER CB . 7024 1 850 . 2 2 56 56 SER N N 15 116.7604 0.113 . . . . . . 56 SER N . 7024 1 851 . 2 2 57 57 ASP H H 1 8.3942 0.011 . . . . . . 57 ASP H . 7024 1 852 . 2 2 57 57 ASP CA C 13 52.428 0.325 . . . . . . 57 ASP CA . 7024 1 853 . 2 2 57 57 ASP CB C 13 40.474 0.325 . . . . . . 57 ASP CB . 7024 1 854 . 2 2 57 57 ASP N N 15 123.6324 0.113 . . . . . . 57 ASP N . 7024 1 855 . 2 2 59 59 ASP H H 1 8.3637 0.011 . . . . . . 59 ASP H . 7024 1 856 . 2 2 59 59 ASP CA C 13 51.990 0.325 . . . . . . 59 ASP CA . 7024 1 857 . 2 2 59 59 ASP CB C 13 40.802 0.325 . . . . . . 59 ASP CB . 7024 1 858 . 2 2 59 59 ASP N N 15 121.7651 0.113 . . . . . . 59 ASP N . 7024 1 859 . 2 2 61 61 GLU H H 1 8.4445 0.011 . . . . . . 61 GLU H . 7024 1 860 . 2 2 61 61 GLU C C 13 176.665 0.325 . . . . . . 61 GLU C . 7024 1 861 . 2 2 61 61 GLU CA C 13 56.4354 0.325 . . . . . . 61 GLU CA . 7024 1 862 . 2 2 61 61 GLU CB C 13 29.1987 0.325 . . . . . . 61 GLU CB . 7024 1 863 . 2 2 61 61 GLU N N 15 119.3849 0.113 . . . . . . 61 GLU N . 7024 1 864 . 2 2 62 62 VAL H H 1 7.7475 0.011 . . . . . . 62 VAL H . 7024 1 865 . 2 2 62 62 VAL C C 13 175.969 0.325 . . . . . . 62 VAL C . 7024 1 866 . 2 2 62 62 VAL CA C 13 61.7157 0.325 . . . . . . 62 VAL CA . 7024 1 867 . 2 2 62 62 VAL CB C 13 32.2348 0.325 . . . . . . 62 VAL CB . 7024 1 868 . 2 2 62 62 VAL N N 15 119.4117 0.113 . . . . . . 62 VAL N . 7024 1 869 . 2 2 63 63 GLU H H 1 8.3856 0.011 . . . . . . 63 GLU H . 7024 1 870 . 2 2 63 63 GLU C C 13 176.326 0.325 . . . . . . 63 GLU C . 7024 1 871 . 2 2 63 63 GLU CA C 13 56.232 0.325 . . . . . . 63 GLU CA . 7024 1 872 . 2 2 63 63 GLU CB C 13 29.596 0.325 . . . . . . 63 GLU CB . 7024 1 873 . 2 2 63 63 GLU N N 15 124.3502 0.113 . . . . . . 63 GLU N . 7024 1 874 . 2 2 64 64 SER H H 1 8.2522 0.011 . . . . . . 64 SER H . 7024 1 875 . 2 2 64 64 SER C C 13 174.608 0.325 . . . . . . 64 SER C . 7024 1 876 . 2 2 64 64 SER CA C 13 57.7238 0.325 . . . . . . 64 SER CA . 7024 1 877 . 2 2 64 64 SER CB C 13 63.858 0.325 . . . . . . 64 SER CB . 7024 1 878 . 2 2 64 64 SER N N 15 116.7822 0.113 . . . . . . 64 SER N . 7024 1 879 . 2 2 65 65 GLU H H 1 8.5110 0.011 . . . . . . 65 GLU H . 7024 1 880 . 2 2 65 65 GLU C C 13 176.270 0.325 . . . . . . 65 GLU C . 7024 1 881 . 2 2 65 65 GLU CA C 13 56.406 0.325 . . . . . . 65 GLU CA . 7024 1 882 . 2 2 65 65 GLU CB C 13 29.494 0.325 . . . . . . 65 GLU CB . 7024 1 883 . 2 2 65 65 GLU N N 15 122.8446 0.113 . . . . . . 65 GLU N . 7024 1 884 . 2 2 66 66 ASP H H 1 8.2120 0.011 . . . . . . 66 ASP H . 7024 1 885 . 2 2 66 66 ASP C C 13 175.967 0.325 . . . . . . 66 ASP C . 7024 1 886 . 2 2 66 66 ASP CA C 13 54.155 0.325 . . . . . . 66 ASP CA . 7024 1 887 . 2 2 66 66 ASP CB C 13 41.056 0.325 . . . . . . 66 ASP CB . 7024 1 888 . 2 2 66 66 ASP N N 15 120.4522 0.113 . . . . . . 66 ASP N . 7024 1 889 . 2 2 67 67 ASP H H 1 8.2365 0.011 . . . . . . 67 ASP H . 7024 1 890 . 2 2 67 67 ASP C C 13 176.615 0.325 . . . . . . 67 ASP C . 7024 1 891 . 2 2 67 67 ASP CA C 13 54.0956 0.325 . . . . . . 67 ASP CA . 7024 1 892 . 2 2 67 67 ASP CB C 13 40.724 0.325 . . . . . . 67 ASP CB . 7024 1 893 . 2 2 67 67 ASP N N 15 120.8361 0.113 . . . . . . 67 ASP N . 7024 1 894 . 2 2 68 68 SER H H 1 8.3040 0.011 . . . . . . 68 SER H . 7024 1 895 . 2 2 68 68 SER C C 13 175.042 0.325 . . . . . . 68 SER C . 7024 1 896 . 2 2 68 68 SER CA C 13 58.663 0.325 . . . . . . 68 SER CA . 7024 1 897 . 2 2 68 68 SER CB C 13 63.488 0.325 . . . . . . 68 SER CB . 7024 1 898 . 2 2 68 68 SER N N 15 116.1157 0.113 . . . . . . 68 SER N . 7024 1 899 . 2 2 69 69 THR H H 1 8.1235 0.011 . . . . . . 69 THR H . 7024 1 900 . 2 2 69 69 THR C C 13 174.670 0.325 . . . . . . 69 THR C . 7024 1 901 . 2 2 69 69 THR CA C 13 61.8696 0.325 . . . . . . 69 THR CA . 7024 1 902 . 2 2 69 69 THR CB C 13 69.1982 0.325 . . . . . . 69 THR CB . 7024 1 903 . 2 2 69 69 THR N N 15 115.4643 0.113 . . . . . . 69 THR N . 7024 1 904 . 2 2 70 70 SER H H 1 8.2450 0.011 . . . . . . 70 SER H . 7024 1 905 . 2 2 70 70 SER C C 13 174.581 0.325 . . . . . . 70 SER C . 7024 1 906 . 2 2 70 70 SER CA C 13 57.8596 0.325 . . . . . . 70 SER CA . 7024 1 907 . 2 2 70 70 SER CB C 13 63.530 0.325 . . . . . . 70 SER CB . 7024 1 908 . 2 2 70 70 SER N N 15 118.4007 0.113 . . . . . . 70 SER N . 7024 1 909 . 2 2 71 71 VAL H H 1 8.1144 0.011 . . . . . . 71 VAL H . 7024 1 910 . 2 2 71 71 VAL C C 13 176.133 0.325 . . . . . . 71 VAL C . 7024 1 911 . 2 2 71 71 VAL CA C 13 61.906 0.325 . . . . . . 71 VAL CA . 7024 1 912 . 2 2 71 71 VAL CB C 13 31.866 0.325 . . . . . . 71 VAL CB . 7024 1 913 . 2 2 71 71 VAL N N 15 121.4130 0.113 . . . . . . 71 VAL N . 7024 1 914 . 2 2 72 72 GLU H H 1 8.2878 0.011 . . . . . . 72 GLU H . 7024 1 915 . 2 2 72 72 GLU C C 13 176.017 0.325 . . . . . . 72 GLU C . 7024 1 916 . 2 2 72 72 GLU CA C 13 56.1477 0.325 . . . . . . 72 GLU CA . 7024 1 917 . 2 2 72 72 GLU CB C 13 29.8051 0.325 . . . . . . 72 GLU CB . 7024 1 918 . 2 2 72 72 GLU N N 15 123.2380 0.113 . . . . . . 72 GLU N . 7024 1 919 . 2 2 73 73 ASP H H 1 8.2264 0.011 . . . . . . 73 ASP H . 7024 1 920 . 2 2 73 73 ASP C C 13 175.738 0.325 . . . . . . 73 ASP C . 7024 1 921 . 2 2 73 73 ASP CA C 13 54.025 0.325 . . . . . . 73 ASP CA . 7024 1 922 . 2 2 73 73 ASP CB C 13 40.727 0.325 . . . . . . 73 ASP CB . 7024 1 923 . 2 2 73 73 ASP N N 15 121.2519 0.113 . . . . . . 73 ASP N . 7024 1 924 . 2 2 74 74 VAL H H 1 7.8492 0.011 . . . . . . 74 VAL H . 7024 1 925 . 2 2 74 74 VAL C C 13 174.943 0.325 . . . . . . 74 VAL C . 7024 1 926 . 2 2 74 74 VAL CA C 13 61.180 0.325 . . . . . . 74 VAL CA . 7024 1 927 . 2 2 74 74 VAL CB C 13 32.507 0.325 . . . . . . 74 VAL CB . 7024 1 928 . 2 2 74 74 VAL N N 15 119.0652 0.113 . . . . . . 74 VAL N . 7024 1 929 . 2 2 75 75 ASP H H 1 8.3659 0.011 . . . . . . 75 ASP H . 7024 1 930 . 2 2 75 75 ASP CA C 13 61.182 0.325 . . . . . . 75 ASP CA . 7024 1 931 . 2 2 75 75 ASP CB C 13 40.318 0.325 . . . . . . 75 ASP CB . 7024 1 932 . 2 2 75 75 ASP N N 15 124.9996 0.113 . . . . . . 75 ASP N . 7024 1 933 . 2 2 78 78 THR H H 1 8.1177 0.011 . . . . . . 78 THR H . 7024 1 934 . 2 2 78 78 THR C C 13 173.246 0.325 . . . . . . 78 THR C . 7024 1 935 . 2 2 78 78 THR CA C 13 62.398 0.325 . . . . . . 78 THR CA . 7024 1 936 . 2 2 78 78 THR CB C 13 70.611 0.325 . . . . . . 78 THR CB . 7024 1 937 . 2 2 78 78 THR N N 15 118.3739 0.113 . . . . . . 78 THR N . 7024 1 938 . 2 2 79 79 THR H H 1 8.4481 0.011 . . . . . . 79 THR H . 7024 1 939 . 2 2 79 79 THR C C 13 172.345 0.325 . . . . . . 79 THR C . 7024 1 940 . 2 2 79 79 THR CA C 13 62.163 0.325 . . . . . . 79 THR CA . 7024 1 941 . 2 2 79 79 THR CB C 13 70.375 0.325 . . . . . . 79 THR CB . 7024 1 942 . 2 2 79 79 THR N N 15 123.2056 0.113 . . . . . . 79 THR N . 7024 1 943 . 2 2 80 80 TYR H H 1 9.4095 0.011 . . . . . . 80 TYR H . 7024 1 944 . 2 2 80 80 TYR C C 13 175.556 0.325 . . . . . . 80 TYR C . 7024 1 945 . 2 2 80 80 TYR CA C 13 56.1117 0.325 . . . . . . 80 TYR CA . 7024 1 946 . 2 2 80 80 TYR CB C 13 40.3217 0.325 . . . . . . 80 TYR CB . 7024 1 947 . 2 2 80 80 TYR N N 15 124.8459 0.113 . . . . . . 80 TYR N . 7024 1 948 . 2 2 81 81 TYR H H 1 9.4257 0.011 . . . . . . 81 TYR H . 7024 1 949 . 2 2 81 81 TYR C C 13 175.311 0.325 . . . . . . 81 TYR C . 7024 1 950 . 2 2 81 81 TYR CA C 13 56.878 0.325 . . . . . . 81 TYR CA . 7024 1 951 . 2 2 81 81 TYR CB C 13 41.431 0.325 . . . . . . 81 TYR CB . 7024 1 952 . 2 2 81 81 TYR N N 15 119.3582 0.113 . . . . . . 81 TYR N . 7024 1 953 . 2 2 82 82 SER H H 1 8.9513 0.011 . . . . . . 82 SER H . 7024 1 954 . 2 2 82 82 SER C C 13 175.136 0.325 . . . . . . 82 SER C . 7024 1 955 . 2 2 82 82 SER CA C 13 56.0344 0.325 . . . . . . 82 SER CA . 7024 1 956 . 2 2 82 82 SER CB C 13 64.0842 0.325 . . . . . . 82 SER CB . 7024 1 957 . 2 2 82 82 SER N N 15 117.3608 0.113 . . . . . . 82 SER N . 7024 1 958 . 2 2 83 83 ILE H H 1 9.611 0.011 . . . . . . 83 ILE H . 7024 1 959 . 2 2 83 83 ILE C C 13 176.746 0.325 . . . . . . 83 ILE C . 7024 1 960 . 2 2 83 83 ILE CA C 13 60.314 0.325 . . . . . . 83 ILE CA . 7024 1 961 . 2 2 83 83 ILE CB C 13 39.846 0.325 . . . . . . 83 ILE CB . 7024 1 962 . 2 2 83 83 ILE N N 15 126.596 0.113 . . . . . . 83 ILE N . 7024 1 963 . 2 2 84 84 ILE H H 1 9.360 0.011 . . . . . . 84 ILE H . 7024 1 964 . 2 2 84 84 ILE C C 13 175.302 0.325 . . . . . . 84 ILE C . 7024 1 965 . 2 2 84 84 ILE CA C 13 60.419 0.325 . . . . . . 84 ILE CA . 7024 1 966 . 2 2 84 84 ILE CB C 13 37.3660 0.325 . . . . . . 84 ILE CB . 7024 1 967 . 2 2 84 84 ILE N N 15 132.999 0.113 . . . . . . 84 ILE N . 7024 1 968 . 2 2 85 85 GLY H H 1 8.757 0.011 . . . . . . 85 GLY H . 7024 1 969 . 2 2 85 85 GLY C C 13 176.133 0.325 . . . . . . 85 GLY C . 7024 1 970 . 2 2 85 85 GLY CA C 13 45.8266 0.325 . . . . . . 85 GLY CA . 7024 1 971 . 2 2 85 85 GLY N N 15 116.161 0.113 . . . . . . 85 GLY N . 7024 1 972 . 2 2 86 86 GLY H H 1 8.2698 0.011 . . . . . . 86 GLY H . 7024 1 973 . 2 2 86 86 GLY C C 13 174.314 0.325 . . . . . . 86 GLY C . 7024 1 974 . 2 2 86 86 GLY CA C 13 46.035 0.325 . . . . . . 86 GLY CA . 7024 1 975 . 2 2 86 86 GLY N N 15 112.1875 0.113 . . . . . . 86 GLY N . 7024 1 976 . 2 2 87 87 GLY H H 1 8.654 0.011 . . . . . . 87 GLY H . 7024 1 977 . 2 2 87 87 GLY C C 13 174.382 0.325 . . . . . . 87 GLY C . 7024 1 978 . 2 2 87 87 GLY CA C 13 44.659 0.325 . . . . . . 87 GLY CA . 7024 1 979 . 2 2 87 87 GLY N N 15 107.022 0.113 . . . . . . 87 GLY N . 7024 1 980 . 2 2 88 88 LEU H H 1 7.6049 0.011 . . . . . . 88 LEU H . 7024 1 981 . 2 2 88 88 LEU C C 13 173.790 0.325 . . . . . . 88 LEU C . 7024 1 982 . 2 2 88 88 LEU CA C 13 52.5020 0.325 . . . . . . 88 LEU CA . 7024 1 983 . 2 2 88 88 LEU CB C 13 45.6223 0.325 . . . . . . 88 LEU CB . 7024 1 984 . 2 2 88 88 LEU N N 15 119.2881 0.113 . . . . . . 88 LEU N . 7024 1 985 . 2 2 89 89 ARG H H 1 8.613 0.011 . . . . . . 89 ARG H . 7024 1 986 . 2 2 89 89 ARG C C 13 172.566 0.325 . . . . . . 89 ARG C . 7024 1 987 . 2 2 89 89 ARG CA C 13 54.823 0.325 . . . . . . 89 ARG CA . 7024 1 988 . 2 2 89 89 ARG CB C 13 30.029 0.325 . . . . . . 89 ARG CB . 7024 1 989 . 2 2 89 89 ARG N N 15 122.099 0.113 . . . . . . 89 ARG N . 7024 1 990 . 2 2 90 90 MET H H 1 8.797 0.011 . . . . . . 90 MET H . 7024 1 991 . 2 2 90 90 MET CA C 13 54.861 0.325 . . . . . . 90 MET CA . 7024 1 992 . 2 2 90 90 MET CB C 13 35.098 0.325 . . . . . . 90 MET CB . 7024 1 993 . 2 2 90 90 MET N N 15 125.433 0.113 . . . . . . 90 MET N . 7024 1 994 . 2 2 91 91 ASN H H 1 9.0244 0.011 . . . . . . 91 ASN H . 7024 1 995 . 2 2 91 91 ASN C C 13 174.467 0.325 . . . . . . 91 ASN C . 7024 1 996 . 2 2 91 91 ASN CA C 13 51.358 0.325 . . . . . . 91 ASN CA . 7024 1 997 . 2 2 91 91 ASN CB C 13 40.186 0.325 . . . . . . 91 ASN CB . 7024 1 998 . 2 2 91 91 ASN N N 15 123.6228 0.113 . . . . . . 91 ASN N . 7024 1 999 . 2 2 92 92 PHE H H 1 9.3895 0.011 . . . . . . 92 PHE H . 7024 1 1000 . 2 2 92 92 PHE C C 13 174.581 0.325 . . . . . . 92 PHE C . 7024 1 1001 . 2 2 92 92 PHE CA C 13 55.959 0.325 . . . . . . 92 PHE CA . 7024 1 1002 . 2 2 92 92 PHE CB C 13 42.992 0.325 . . . . . . 92 PHE CB . 7024 1 1003 . 2 2 92 92 PHE N N 15 124.4245 0.113 . . . . . . 92 PHE N . 7024 1 1004 . 2 2 93 93 GLY H H 1 8.652 0.011 . . . . . . 93 GLY H . 7024 1 1005 . 2 2 93 93 GLY C C 13 172.194 0.325 . . . . . . 93 GLY C . 7024 1 1006 . 2 2 93 93 GLY CA C 13 44.624 0.325 . . . . . . 93 GLY CA . 7024 1 1007 . 2 2 93 93 GLY N N 15 110.572 0.113 . . . . . . 93 GLY N . 7024 1 1008 . 2 2 94 94 PHE H H 1 8.8727 0.011 . . . . . . 94 PHE H . 7024 1 1009 . 2 2 94 94 PHE C C 13 175.471 0.325 . . . . . . 94 PHE C . 7024 1 1010 . 2 2 94 94 PHE CA C 13 57.1436 0.325 . . . . . . 94 PHE CA . 7024 1 1011 . 2 2 94 94 PHE CB C 13 42.4735 0.325 . . . . . . 94 PHE CB . 7024 1 1012 . 2 2 94 94 PHE N N 15 120.2636 0.113 . . . . . . 94 PHE N . 7024 1 1013 . 2 2 95 95 THR H H 1 8.7522 0.011 . . . . . . 95 THR H . 7024 1 1014 . 2 2 95 95 THR C C 13 171.563 0.325 . . . . . . 95 THR C . 7024 1 1015 . 2 2 95 95 THR CA C 13 61.8216 0.325 . . . . . . 95 THR CA . 7024 1 1016 . 2 2 95 95 THR CB C 13 69.9100 0.325 . . . . . . 95 THR CB . 7024 1 1017 . 2 2 95 95 THR N N 15 123.4455 0.113 . . . . . . 95 THR N . 7024 1 1018 . 2 2 96 96 LYS H H 1 9.3386 0.011 . . . . . . 96 LYS H . 7024 1 1019 . 2 2 96 96 LYS C C 13 174.169 0.325 . . . . . . 96 LYS C . 7024 1 1020 . 2 2 96 96 LYS CA C 13 57.254 0.325 . . . . . . 96 LYS CA . 7024 1 1021 . 2 2 96 96 LYS CB C 13 27.7490 0.325 . . . . . . 96 LYS CB . 7024 1 1022 . 2 2 96 96 LYS N N 15 121.0152 0.113 . . . . . . 96 LYS N . 7024 1 1023 . 2 2 97 97 CYS H H 1 7.9481 0.011 . . . . . . 97 CYS H . 7024 1 1024 . 2 2 97 97 CYS CA C 13 53.5132 0.325 . . . . . . 97 CYS CA . 7024 1 1025 . 2 2 97 97 CYS CB C 13 43.890 0.325 . . . . . . 97 CYS CB . 7024 1 1026 . 2 2 97 97 CYS N N 15 113.0842 0.113 . . . . . . 97 CYS N . 7024 1 1027 . 2 2 99 99 GLN H H 1 8.2069 0.011 . . . . . . 99 GLN H . 7024 1 1028 . 2 2 99 99 GLN C C 13 176.217 0.325 . . . . . . 99 GLN C . 7024 1 1029 . 2 2 99 99 GLN CA C 13 56.074 0.325 . . . . . . 99 GLN CA . 7024 1 1030 . 2 2 99 99 GLN CB C 13 28.9396 0.325 . . . . . . 99 GLN CB . 7024 1 1031 . 2 2 99 99 GLN N N 15 116.9809 0.113 . . . . . . 99 GLN N . 7024 1 1032 . 2 2 100 100 ILE H H 1 8.1148 0.011 . . . . . . 100 ILE H . 7024 1 1033 . 2 2 100 100 ILE C C 13 175.518 0.325 . . . . . . 100 ILE C . 7024 1 1034 . 2 2 100 100 ILE CA C 13 58.2494 0.325 . . . . . . 100 ILE CA . 7024 1 1035 . 2 2 100 100 ILE CB C 13 35.4674 0.325 . . . . . . 100 ILE CB . 7024 1 1036 . 2 2 100 100 ILE N N 15 124.3754 0.113 . . . . . . 100 ILE N . 7024 1 1037 . 2 2 101 101 LYS H H 1 8.0003 0.011 . . . . . . 101 LYS H . 7024 1 1038 . 2 2 101 101 LYS C C 13 174.377 0.325 . . . . . . 101 LYS C . 7024 1 1039 . 2 2 101 101 LYS CA C 13 54.2026 0.325 . . . . . . 101 LYS CA . 7024 1 1040 . 2 2 101 101 LYS CB C 13 36.1026 0.325 . . . . . . 101 LYS CB . 7024 1 1041 . 2 2 101 101 LYS N N 15 122.5799 0.113 . . . . . . 101 LYS N . 7024 1 1042 . 2 2 102 102 SER H H 1 7.9511 0.011 . . . . . . 102 SER H . 7024 1 1043 . 2 2 102 102 SER C C 13 173.651 0.325 . . . . . . 102 SER C . 7024 1 1044 . 2 2 102 102 SER CA C 13 56.2213 0.325 . . . . . . 102 SER CA . 7024 1 1045 . 2 2 102 102 SER CB C 13 63.4292 0.325 . . . . . . 102 SER CB . 7024 1 1046 . 2 2 102 102 SER N N 15 115.1674 0.113 . . . . . . 102 SER N . 7024 1 1047 . 2 2 103 103 ILE H H 1 8.1830 0.011 . . . . . . 103 ILE H . 7024 1 1048 . 2 2 103 103 ILE C C 13 174.018 0.325 . . . . . . 103 ILE C . 7024 1 1049 . 2 2 103 103 ILE CA C 13 61.3513 0.325 . . . . . . 103 ILE CA . 7024 1 1050 . 2 2 103 103 ILE CB C 13 40.7572 0.325 . . . . . . 103 ILE CB . 7024 1 1051 . 2 2 103 103 ILE N N 15 126.6591 0.113 . . . . . . 103 ILE N . 7024 1 1052 . 2 2 104 104 SER H H 1 9.1171 0.011 . . . . . . 104 SER H . 7024 1 1053 . 2 2 104 104 SER C C 13 176.508 0.325 . . . . . . 104 SER C . 7024 1 1054 . 2 2 104 104 SER CA C 13 57.5765 0.325 . . . . . . 104 SER CA . 7024 1 1055 . 2 2 104 104 SER CB C 13 66.7729 0.325 . . . . . . 104 SER CB . 7024 1 1056 . 2 2 104 104 SER N N 15 123.6521 0.113 . . . . . . 104 SER N . 7024 1 1057 . 2 2 105 105 GLU H H 1 8.6478 0.011 . . . . . . 105 GLU H . 7024 1 1058 . 2 2 105 105 GLU C C 13 174.707 0.325 . . . . . . 105 GLU C . 7024 1 1059 . 2 2 105 105 GLU CA C 13 54.911 0.325 . . . . . . 105 GLU CA . 7024 1 1060 . 2 2 105 105 GLU CB C 13 35.364 0.325 . . . . . . 105 GLU CB . 7024 1 1061 . 2 2 105 105 GLU N N 15 116.2207 0.113 . . . . . . 105 GLU N . 7024 1 1062 . 2 2 106 106 SER H H 1 9.0981 0.011 . . . . . . 106 SER H . 7024 1 1063 . 2 2 106 106 SER C C 13 171.790 0.325 . . . . . . 106 SER C . 7024 1 1064 . 2 2 106 106 SER CA C 13 57.8282 0.325 . . . . . . 106 SER CA . 7024 1 1065 . 2 2 106 106 SER CB C 13 66.5891 0.325 . . . . . . 106 SER CB . 7024 1 1066 . 2 2 106 106 SER N N 15 113.9075 0.113 . . . . . . 106 SER N . 7024 1 1067 . 2 2 107 107 ALA H H 1 8.8157 0.011 . . . . . . 107 ALA H . 7024 1 1068 . 2 2 107 107 ALA C C 13 176.104 0.325 . . . . . . 107 ALA C . 7024 1 1069 . 2 2 107 107 ALA CA C 13 51.5106 0.325 . . . . . . 107 ALA CA . 7024 1 1070 . 2 2 107 107 ALA CB C 13 21.2273 0.325 . . . . . . 107 ALA CB . 7024 1 1071 . 2 2 107 107 ALA N N 15 121.8496 0.113 . . . . . . 107 ALA N . 7024 1 1072 . 2 2 108 108 ASP H H 1 8.2926 0.011 . . . . . . 108 ASP H . 7024 1 1073 . 2 2 108 108 ASP CA C 13 53.4460 0.325 . . . . . . 108 ASP CA . 7024 1 1074 . 2 2 108 108 ASP CB C 13 42.5741 0.325 . . . . . . 108 ASP CB . 7024 1 1075 . 2 2 108 108 ASP N N 15 120.5204 0.113 . . . . . . 108 ASP N . 7024 1 1076 . 2 2 111 111 THR H H 1 8.288 0.011 . . . . . . 111 THR H . 7024 1 1077 . 2 2 111 111 THR C C 13 174.193 0.325 . . . . . . 111 THR C . 7024 1 1078 . 2 2 111 111 THR CA C 13 61.045 0.325 . . . . . . 111 THR CA . 7024 1 1079 . 2 2 111 111 THR CB C 13 71.060 0.325 . . . . . . 111 THR CB . 7024 1 1080 . 2 2 111 111 THR N N 15 114.705 0.113 . . . . . . 111 THR N . 7024 1 1081 . 2 2 112 112 VAL H H 1 9.260 0.011 . . . . . . 112 VAL H . 7024 1 1082 . 2 2 112 112 VAL C C 13 173.326 0.325 . . . . . . 112 VAL C . 7024 1 1083 . 2 2 112 112 VAL CA C 13 61.369 0.325 . . . . . . 112 VAL CA . 7024 1 1084 . 2 2 112 112 VAL CB C 13 34.289 0.325 . . . . . . 112 VAL CB . 7024 1 1085 . 2 2 112 112 VAL N N 15 125.966 0.113 . . . . . . 112 VAL N . 7024 1 1086 . 2 2 113 113 ASN H H 1 9.1996 0.011 . . . . . . 113 ASN H . 7024 1 1087 . 2 2 113 113 ASN C C 13 174.433 0.325 . . . . . . 113 ASN C . 7024 1 1088 . 2 2 113 113 ASN CA C 13 50.6406 0.325 . . . . . . 113 ASN CA . 7024 1 1089 . 2 2 113 113 ASN CB C 13 41.408 0.325 . . . . . . 113 ASN CB . 7024 1 1090 . 2 2 113 113 ASN N N 15 124.9551 0.113 . . . . . . 113 ASN N . 7024 1 1091 . 2 2 114 114 ALA H H 1 9.062 0.011 . . . . . . 114 ALA H . 7024 1 1092 . 2 2 114 114 ALA C C 13 174.405 0.325 . . . . . . 114 ALA C . 7024 1 1093 . 2 2 114 114 ALA CA C 13 50.996 0.325 . . . . . . 114 ALA CA . 7024 1 1094 . 2 2 114 114 ALA CB C 13 22.343 0.325 . . . . . . 114 ALA CB . 7024 1 1095 . 2 2 114 114 ALA N N 15 119.799 0.113 . . . . . . 114 ALA N . 7024 1 1096 . 2 2 115 115 ARG H H 1 8.324 0.011 . . . . . . 115 ARG H . 7024 1 1097 . 2 2 115 115 ARG C C 13 175.136 0.325 . . . . . . 115 ARG C . 7024 1 1098 . 2 2 115 115 ARG CA C 13 54.422 0.325 . . . . . . 115 ARG CA . 7024 1 1099 . 2 2 115 115 ARG CB C 13 34.107 0.325 . . . . . . 115 ARG CB . 7024 1 1100 . 2 2 115 115 ARG N N 15 118.329 0.113 . . . . . . 115 ARG N . 7024 1 1101 . 2 2 116 116 LEU H H 1 9.1133 0.011 . . . . . . 116 LEU H . 7024 1 1102 . 2 2 116 116 LEU C C 13 175.133 0.325 . . . . . . 116 LEU C . 7024 1 1103 . 2 2 116 116 LEU CA C 13 54.5865 0.325 . . . . . . 116 LEU CA . 7024 1 1104 . 2 2 116 116 LEU CB C 13 43.2755 0.325 . . . . . . 116 LEU CB . 7024 1 1105 . 2 2 116 116 LEU N N 15 129.1430 0.113 . . . . . . 116 LEU N . 7024 1 1106 . 2 2 117 117 SER H H 1 9.3940 0.011 . . . . . . 117 SER H . 7024 1 1107 . 2 2 117 117 SER C C 13 176.078 0.325 . . . . . . 117 SER C . 7024 1 1108 . 2 2 117 117 SER CA C 13 57.4654 0.325 . . . . . . 117 SER CA . 7024 1 1109 . 2 2 117 117 SER CB C 13 70.0237 0.325 . . . . . . 117 SER CB . 7024 1 1110 . 2 2 117 117 SER N N 15 115.3913 0.113 . . . . . . 117 SER N . 7024 1 1111 . 2 2 118 118 SER H H 1 8.8745 0.011 . . . . . . 118 SER H . 7024 1 1112 . 2 2 118 118 SER C C 13 171.288 0.325 . . . . . . 118 SER C . 7024 1 1113 . 2 2 118 118 SER CA C 13 58.5145 0.325 . . . . . . 118 SER CA . 7024 1 1114 . 2 2 118 118 SER CB C 13 63.6756 0.325 . . . . . . 118 SER CB . 7024 1 1115 . 2 2 118 118 SER N N 15 118.0411 0.113 . . . . . . 118 SER N . 7024 1 1116 . 2 2 119 119 VAL H H 1 8.0572 0.011 . . . . . . 119 VAL H . 7024 1 1117 . 2 2 119 119 VAL C C 13 174.734 0.325 . . . . . . 119 VAL C . 7024 1 1118 . 2 2 119 119 VAL CA C 13 59.9343 0.325 . . . . . . 119 VAL CA . 7024 1 1119 . 2 2 119 119 VAL CB C 13 33.6890 0.325 . . . . . . 119 VAL CB . 7024 1 1120 . 2 2 119 119 VAL N N 15 119.2793 0.113 . . . . . . 119 VAL N . 7024 1 1121 . 2 2 120 120 SER H H 1 8.4481 0.011 . . . . . . 120 SER H . 7024 1 1122 . 2 2 120 120 SER CA C 13 57.655 0.325 . . . . . . 120 SER CA . 7024 1 1123 . 2 2 120 120 SER CB C 13 61.791 0.325 . . . . . . 120 SER CB . 7024 1 1124 . 2 2 120 120 SER N N 15 123.2056 0.113 . . . . . . 120 SER N . 7024 1 1125 . 2 2 122 122 GLY H H 1 8.7581 0.011 . . . . . . 122 GLY H . 7024 1 1126 . 2 2 122 122 GLY C C 13 175.434 0.325 . . . . . . 122 GLY C . 7024 1 1127 . 2 2 122 122 GLY CA C 13 45.2536 0.325 . . . . . . 122 GLY CA . 7024 1 1128 . 2 2 122 122 GLY N N 15 108.9700 0.113 . . . . . . 122 GLY N . 7024 1 1129 . 2 2 123 123 GLN H H 1 8.5035 0.011 . . . . . . 123 GLN H . 7024 1 1130 . 2 2 123 123 GLN C C 13 175.868 0.325 . . . . . . 123 GLN C . 7024 1 1131 . 2 2 123 123 GLN CA C 13 54.5999 0.325 . . . . . . 123 GLN CA . 7024 1 1132 . 2 2 123 123 GLN CB C 13 30.4626 0.325 . . . . . . 123 GLN CB . 7024 1 1133 . 2 2 123 123 GLN N N 15 118.1177 0.113 . . . . . . 123 GLN N . 7024 1 1134 . 2 2 124 124 GLY H H 1 8.5017 0.011 . . . . . . 124 GLY H . 7024 1 1135 . 2 2 124 124 GLY C C 13 173.900 0.325 . . . . . . 124 GLY C . 7024 1 1136 . 2 2 124 124 GLY CA C 13 45.1914 0.325 . . . . . . 124 GLY CA . 7024 1 1137 . 2 2 124 124 GLY N N 15 107.6244 0.113 . . . . . . 124 GLY N . 7024 1 1138 . 2 2 125 125 LYS H H 1 7.4052 0.011 . . . . . . 125 LYS H . 7024 1 1139 . 2 2 125 125 LYS CA C 13 52.9633 0.325 . . . . . . 125 LYS CA . 7024 1 1140 . 2 2 125 125 LYS CB C 13 32.9762 0.325 . . . . . . 125 LYS CB . 7024 1 1141 . 2 2 125 125 LYS N N 15 117.7862 0.113 . . . . . . 125 LYS N . 7024 1 1142 . 2 2 127 127 SER H H 1 8.4126 0.011 . . . . . . 127 SER H . 7024 1 1143 . 2 2 127 127 SER CA C 13 55.258 0.325 . . . . . . 127 SER CA . 7024 1 1144 . 2 2 127 127 SER CB C 13 63.713 0.325 . . . . . . 127 SER CB . 7024 1 1145 . 2 2 127 127 SER N N 15 116.3866 0.113 . . . . . . 127 SER N . 7024 1 1146 . 2 2 129 129 ALA H H 1 8.486 0.011 . . . . . . 129 ALA H . 7024 1 1147 . 2 2 129 129 ALA C C 13 176.895 0.325 . . . . . . 129 ALA C . 7024 1 1148 . 2 2 129 129 ALA CA C 13 50.390 0.325 . . . . . . 129 ALA CA . 7024 1 1149 . 2 2 129 129 ALA CB C 13 18.320 0.325 . . . . . . 129 ALA CB . 7024 1 1150 . 2 2 129 129 ALA N N 15 125.388 0.113 . . . . . . 129 ALA N . 7024 1 1151 . 2 2 130 130 ILE H H 1 8.5207 0.011 . . . . . . 130 ILE H . 7024 1 1152 . 2 2 130 130 ILE C C 13 175.925 0.325 . . . . . . 130 ILE C . 7024 1 1153 . 2 2 130 130 ILE CA C 13 59.2364 0.325 . . . . . . 130 ILE CA . 7024 1 1154 . 2 2 130 130 ILE CB C 13 39.5720 0.325 . . . . . . 130 ILE CB . 7024 1 1155 . 2 2 130 130 ILE N N 15 115.4118 0.113 . . . . . . 130 ILE N . 7024 1 1156 . 2 2 131 131 THR H H 1 8.6525 0.011 . . . . . . 131 THR H . 7024 1 1157 . 2 2 131 131 THR C C 13 175.585 0.325 . . . . . . 131 THR C . 7024 1 1158 . 2 2 131 131 THR CA C 13 61.611 0.325 . . . . . . 131 THR CA . 7024 1 1159 . 2 2 131 131 THR CB C 13 70.932 0.325 . . . . . . 131 THR CB . 7024 1 1160 . 2 2 131 131 THR N N 15 110.5718 0.113 . . . . . . 131 THR N . 7024 1 1161 . 2 2 132 132 HIS H H 1 8.736 0.011 . . . . . . 132 HIS H . 7024 1 1162 . 2 2 132 132 HIS C C 13 176.317 0.325 . . . . . . 132 HIS C . 7024 1 1163 . 2 2 132 132 HIS CA C 13 60.801 0.325 . . . . . . 132 HIS CA . 7024 1 1164 . 2 2 132 132 HIS CB C 13 29.532 0.325 . . . . . . 132 HIS CB . 7024 1 1165 . 2 2 132 132 HIS N N 15 120.021 0.113 . . . . . . 132 HIS N . 7024 1 1166 . 2 2 133 133 GLU H H 1 8.9838 0.011 . . . . . . 133 GLU H . 7024 1 1167 . 2 2 133 133 GLU C C 13 180.001 0.325 . . . . . . 133 GLU C . 7024 1 1168 . 2 2 133 133 GLU CA C 13 60.0880 0.325 . . . . . . 133 GLU CA . 7024 1 1169 . 2 2 133 133 GLU CB C 13 28.4840 0.325 . . . . . . 133 GLU CB . 7024 1 1170 . 2 2 133 133 GLU N N 15 116.0832 0.113 . . . . . . 133 GLU N . 7024 1 1171 . 2 2 134 134 GLU H H 1 7.7352 0.011 . . . . . . 134 GLU H . 7024 1 1172 . 2 2 134 134 GLU C C 13 179.496 0.325 . . . . . . 134 GLU C . 7024 1 1173 . 2 2 134 134 GLU CA C 13 58.610 0.325 . . . . . . 134 GLU CA . 7024 1 1174 . 2 2 134 134 GLU CB C 13 29.450 0.325 . . . . . . 134 GLU CB . 7024 1 1175 . 2 2 134 134 GLU N N 15 120.1308 0.113 . . . . . . 134 GLU N . 7024 1 1176 . 2 2 135 135 ALA H H 1 8.7832 0.011 . . . . . . 135 ALA H . 7024 1 1177 . 2 2 135 135 ALA C C 13 178.058 0.325 . . . . . . 135 ALA C . 7024 1 1178 . 2 2 135 135 ALA CA C 13 55.367 0.325 . . . . . . 135 ALA CA . 7024 1 1179 . 2 2 135 135 ALA CB C 13 18.283 0.325 . . . . . . 135 ALA CB . 7024 1 1180 . 2 2 135 135 ALA N N 15 124.7941 0.113 . . . . . . 135 ALA N . 7024 1 1181 . 2 2 136 136 LEU H H 1 7.9966 0.011 . . . . . . 136 LEU H . 7024 1 1182 . 2 2 136 136 LEU C C 13 179.160 0.325 . . . . . . 136 LEU C . 7024 1 1183 . 2 2 136 136 LEU CA C 13 56.988 0.325 . . . . . . 136 LEU CA . 7024 1 1184 . 2 2 136 136 LEU CB C 13 41.2327 0.325 . . . . . . 136 LEU CB . 7024 1 1185 . 2 2 136 136 LEU N N 15 117.0016 0.113 . . . . . . 136 LEU N . 7024 1 1186 . 2 2 137 137 ALA H H 1 7.1475 0.011 . . . . . . 137 ALA H . 7024 1 1187 . 2 2 137 137 ALA C C 13 179.187 0.325 . . . . . . 137 ALA C . 7024 1 1188 . 2 2 137 137 ALA CA C 13 54.0407 0.325 . . . . . . 137 ALA CA . 7024 1 1189 . 2 2 137 137 ALA CB C 13 17.3585 0.325 . . . . . . 137 ALA CB . 7024 1 1190 . 2 2 137 137 ALA N N 15 119.1213 0.113 . . . . . . 137 ALA N . 7024 1 1191 . 2 2 138 138 MET H H 1 7.882 0.011 . . . . . . 138 MET H . 7024 1 1192 . 2 2 138 138 MET C C 13 177.934 0.325 . . . . . . 138 MET C . 7024 1 1193 . 2 2 138 138 MET CA C 13 58.907 0.325 . . . . . . 138 MET CA . 7024 1 1194 . 2 2 138 138 MET CB C 13 31.557 0.325 . . . . . . 138 MET CB . 7024 1 1195 . 2 2 138 138 MET N N 15 119.036 0.113 . . . . . . 138 MET N . 7024 1 1196 . 2 2 139 139 ILE H H 1 7.8280 0.011 . . . . . . 139 ILE H . 7024 1 1197 . 2 2 139 139 ILE C C 13 175.900 0.325 . . . . . . 139 ILE C . 7024 1 1198 . 2 2 139 139 ILE CA C 13 65.1685 0.325 . . . . . . 139 ILE CA . 7024 1 1199 . 2 2 139 139 ILE CB C 13 36.7227 0.325 . . . . . . 139 ILE CB . 7024 1 1200 . 2 2 139 139 ILE N N 15 113.5047 0.113 . . . . . . 139 ILE N . 7024 1 1201 . 2 2 140 140 LYS H H 1 6.7058 0.011 . . . . . . 140 LYS H . 7024 1 1202 . 2 2 140 140 LYS C C 13 178.042 0.325 . . . . . . 140 LYS C . 7024 1 1203 . 2 2 140 140 LYS CA C 13 55.8075 0.325 . . . . . . 140 LYS CA . 7024 1 1204 . 2 2 140 140 LYS CB C 13 31.7785 0.325 . . . . . . 140 LYS CB . 7024 1 1205 . 2 2 140 140 LYS N N 15 114.6417 0.113 . . . . . . 140 LYS N . 7024 1 1206 . 2 2 141 141 ASP H H 1 7.867 0.011 . . . . . . 141 ASP H . 7024 1 1207 . 2 2 141 141 ASP C C 13 176.706 0.325 . . . . . . 141 ASP C . 7024 1 1208 . 2 2 141 141 ASP CA C 13 55.0034 0.325 . . . . . . 141 ASP CA . 7024 1 1209 . 2 2 141 141 ASP CB C 13 42.3305 0.325 . . . . . . 141 ASP CB . 7024 1 1210 . 2 2 141 141 ASP N N 15 119.192 0.113 . . . . . . 141 ASP N . 7024 1 1211 . 2 2 142 142 CYS H H 1 7.9201 0.011 . . . . . . 142 CYS H . 7024 1 1212 . 2 2 142 142 CYS C C 13 173.953 0.325 . . . . . . 142 CYS C . 7024 1 1213 . 2 2 142 142 CYS CA C 13 56.012 0.325 . . . . . . 142 CYS CA . 7024 1 1214 . 2 2 142 142 CYS CB C 13 37.667 0.325 . . . . . . 142 CYS CB . 7024 1 1215 . 2 2 142 142 CYS N N 15 118.5531 0.113 . . . . . . 142 CYS N . 7024 1 1216 . 2 2 143 143 GLU H H 1 8.8283 0.011 . . . . . . 143 GLU H . 7024 1 1217 . 2 2 143 143 GLU C C 13 175.085 0.325 . . . . . . 143 GLU C . 7024 1 1218 . 2 2 143 143 GLU CA C 13 54.2461 0.325 . . . . . . 143 GLU CA . 7024 1 1219 . 2 2 143 143 GLU CB C 13 32.8681 0.325 . . . . . . 143 GLU CB . 7024 1 1220 . 2 2 143 143 GLU N N 15 129.8800 0.113 . . . . . . 143 GLU N . 7024 1 1221 . 2 2 144 144 VAL H H 1 8.0574 0.011 . . . . . . 144 VAL H . 7024 1 1222 . 2 2 144 144 VAL C C 13 174.410 0.325 . . . . . . 144 VAL C . 7024 1 1223 . 2 2 144 144 VAL CA C 13 59.0721 0.325 . . . . . . 144 VAL CA . 7024 1 1224 . 2 2 144 144 VAL CB C 13 34.4841 0.325 . . . . . . 144 VAL CB . 7024 1 1225 . 2 2 144 144 VAL N N 15 126.3821 0.113 . . . . . . 144 VAL N . 7024 1 1226 . 2 2 145 145 SER H H 1 9.4100 0.011 . . . . . . 145 SER H . 7024 1 1227 . 2 2 145 145 SER C C 13 173.753 0.325 . . . . . . 145 SER C . 7024 1 1228 . 2 2 145 145 SER CA C 13 55.249 0.325 . . . . . . 145 SER CA . 7024 1 1229 . 2 2 145 145 SER CB C 13 66.283 0.325 . . . . . . 145 SER CB . 7024 1 1230 . 2 2 145 145 SER N N 15 121.8108 0.113 . . . . . . 145 SER N . 7024 1 1231 . 2 2 146 146 ILE H H 1 8.7964 0.011 . . . . . . 146 ILE H . 7024 1 1232 . 2 2 146 146 ILE C C 13 175.162 0.325 . . . . . . 146 ILE C . 7024 1 1233 . 2 2 146 146 ILE CA C 13 59.9745 0.325 . . . . . . 146 ILE CA . 7024 1 1234 . 2 2 146 146 ILE CB C 13 41.1324 0.325 . . . . . . 146 ILE CB . 7024 1 1235 . 2 2 146 146 ILE N N 15 118.0337 0.113 . . . . . . 146 ILE N . 7024 1 1236 . 2 2 148 148 ILE H H 1 8.6284 0.011 . . . . . . 148 ILE H . 7024 1 1237 . 2 2 148 148 ILE CA C 13 59.0825 0.325 . . . . . . 148 ILE CA . 7024 1 1238 . 2 2 148 148 ILE CB C 13 36.8061 0.325 . . . . . . 148 ILE CB . 7024 1 1239 . 2 2 148 148 ILE N N 15 124.2178 0.113 . . . . . . 148 ILE N . 7024 1 1240 . 2 2 149 149 ARG H H 1 8.944 0.011 . . . . . . 149 ARG H . 7024 1 1241 . 2 2 149 149 ARG C C 13 175.247 0.325 . . . . . . 149 ARG C . 7024 1 1242 . 2 2 149 149 ARG N N 15 127.438 0.113 . . . . . . 149 ARG N . 7024 1 1243 . 2 2 150 150 CYS H H 1 9.1773 0.011 . . . . . . 150 CYS H . 7024 1 1244 . 2 2 150 150 CYS C C 13 174.714 0.325 . . . . . . 150 CYS C . 7024 1 1245 . 2 2 150 150 CYS CA C 13 54.2887 0.325 . . . . . . 150 CYS CA . 7024 1 1246 . 2 2 150 150 CYS CB C 13 32.511 0.325 . . . . . . 150 CYS CB . 7024 1 1247 . 2 2 150 150 CYS N N 15 120.3950 0.113 . . . . . . 150 CYS N . 7024 1 1248 . 2 2 151 151 SER H H 1 7.8878 0.011 . . . . . . 151 SER H . 7024 1 1249 . 2 2 151 151 SER CA C 13 56.5805 0.325 . . . . . . 151 SER CA . 7024 1 1250 . 2 2 151 151 SER CB C 13 64.3593 0.325 . . . . . . 151 SER CB . 7024 1 1251 . 2 2 151 151 SER N N 15 115.4293 0.113 . . . . . . 151 SER N . 7024 1 1252 . 2 2 153 153 GLU H H 1 7.7522 0.011 . . . . . . 153 GLU H . 7024 1 1253 . 2 2 153 153 GLU C C 13 176.893 0.325 . . . . . . 153 GLU C . 7024 1 1254 . 2 2 153 153 GLU CA C 13 57.0218 0.325 . . . . . . 153 GLU CA . 7024 1 1255 . 2 2 153 153 GLU CB C 13 29.723 0.325 . . . . . . 153 GLU CB . 7024 1 1256 . 2 2 153 153 GLU N N 15 122.0409 0.113 . . . . . . 153 GLU N . 7024 1 1257 . 2 2 154 154 GLU H H 1 8.4590 0.011 . . . . . . 154 GLU H . 7024 1 1258 . 2 2 154 154 GLU C C 13 176.621 0.325 . . . . . . 154 GLU C . 7024 1 1259 . 2 2 154 154 GLU CA C 13 55.402 0.325 . . . . . . 154 GLU CA . 7024 1 1260 . 2 2 154 154 GLU CB C 13 30.434 0.325 . . . . . . 154 GLU CB . 7024 1 1261 . 2 2 154 154 GLU N N 15 126.3730 0.113 . . . . . . 154 GLU N . 7024 1 1262 . 2 2 155 155 LYS H H 1 8.5713 0.011 . . . . . . 155 LYS H . 7024 1 1263 . 2 2 155 155 LYS C C 13 174.612 0.325 . . . . . . 155 LYS C . 7024 1 1264 . 2 2 155 155 LYS CA C 13 56.377 0.325 . . . . . . 155 LYS CA . 7024 1 1265 . 2 2 155 155 LYS CB C 13 30.859 0.325 . . . . . . 155 LYS CB . 7024 1 1266 . 2 2 155 155 LYS N N 15 121.6960 0.113 . . . . . . 155 LYS N . 7024 1 1267 . 2 2 156 156 ASP H H 1 8.1487 0.011 . . . . . . 156 ASP H . 7024 1 1268 . 2 2 156 156 ASP C C 13 176.874 0.325 . . . . . . 156 ASP C . 7024 1 1269 . 2 2 156 156 ASP CA C 13 54.5624 0.325 . . . . . . 156 ASP CA . 7024 1 1270 . 2 2 156 156 ASP CB C 13 40.9564 0.325 . . . . . . 156 ASP CB . 7024 1 1271 . 2 2 156 156 ASP N N 15 117.3912 0.113 . . . . . . 156 ASP N . 7024 1 1272 . 2 2 157 157 SER H H 1 8.4793 0.011 . . . . . . 157 SER H . 7024 1 1273 . 2 2 157 157 SER C C 13 173.104 0.325 . . . . . . 157 SER C . 7024 1 1274 . 2 2 157 157 SER CA C 13 60.7015 0.325 . . . . . . 157 SER CA . 7024 1 1275 . 2 2 157 157 SER CB C 13 64.7062 0.325 . . . . . . 157 SER CB . 7024 1 1276 . 2 2 157 157 SER N N 15 114.9318 0.113 . . . . . . 157 SER N . 7024 1 1277 . 2 2 158 158 ASP H H 1 8.0861 0.011 . . . . . . 158 ASP H . 7024 1 1278 . 2 2 158 158 ASP C C 13 173.983 0.325 . . . . . . 158 ASP C . 7024 1 1279 . 2 2 158 158 ASP CA C 13 52.4334 0.325 . . . . . . 158 ASP CA . 7024 1 1280 . 2 2 158 158 ASP CB C 13 39.9978 0.325 . . . . . . 158 ASP CB . 7024 1 1281 . 2 2 158 158 ASP N N 15 127.5108 0.113 . . . . . . 158 ASP N . 7024 1 1282 . 2 2 159 159 ILE H H 1 7.4673 0.011 . . . . . . 159 ILE H . 7024 1 1283 . 2 2 159 159 ILE C C 13 177.315 0.325 . . . . . . 159 ILE C . 7024 1 1284 . 2 2 159 159 ILE CA C 13 60.2700 0.325 . . . . . . 159 ILE CA . 7024 1 1285 . 2 2 159 159 ILE CB C 13 39.3496 0.325 . . . . . . 159 ILE CB . 7024 1 1286 . 2 2 159 159 ILE N N 15 118.3522 0.113 . . . . . . 159 ILE N . 7024 1 1287 . 2 2 160 160 LYS H H 1 8.6230 0.011 . . . . . . 160 LYS H . 7024 1 1288 . 2 2 160 160 LYS C C 13 177.150 0.325 . . . . . . 160 LYS C . 7024 1 1289 . 2 2 160 160 LYS CA C 13 52.7827 0.325 . . . . . . 160 LYS CA . 7024 1 1290 . 2 2 160 160 LYS CB C 13 30.8906 0.325 . . . . . . 160 LYS CB . 7024 1 1291 . 2 2 160 160 LYS N N 15 124.9340 0.113 . . . . . . 160 LYS N . 7024 1 1292 . 2 2 161 161 THR H H 1 8.3647 0.011 . . . . . . 161 THR H . 7024 1 1293 . 2 2 161 161 THR C C 13 174.860 0.325 . . . . . . 161 THR C . 7024 1 1294 . 2 2 161 161 THR CA C 13 61.2002 0.325 . . . . . . 161 THR CA . 7024 1 1295 . 2 2 161 161 THR CB C 13 67.7821 0.325 . . . . . . 161 THR CB . 7024 1 1296 . 2 2 161 161 THR N N 15 112.0385 0.113 . . . . . . 161 THR N . 7024 1 1297 . 2 2 162 162 HIS H H 1 7.0484 0.011 . . . . . . 162 HIS H . 7024 1 1298 . 2 2 162 162 HIS CA C 13 52.4543 0.325 . . . . . . 162 HIS CA . 7024 1 1299 . 2 2 162 162 HIS CB C 13 28.3280 0.325 . . . . . . 162 HIS CB . 7024 1 1300 . 2 2 162 162 HIS N N 15 118.1933 0.113 . . . . . . 162 HIS N . 7024 1 1301 . 2 2 164 164 VAL H H 1 8.6041 0.011 . . . . . . 164 VAL H . 7024 1 1302 . 2 2 164 164 VAL C C 13 176.468 0.325 . . . . . . 164 VAL C . 7024 1 1303 . 2 2 164 164 VAL CA C 13 63.015 0.325 . . . . . . 164 VAL CA . 7024 1 1304 . 2 2 164 164 VAL CB C 13 30.7626 0.325 . . . . . . 164 VAL CB . 7024 1 1305 . 2 2 164 164 VAL N N 15 122.9180 0.113 . . . . . . 164 VAL N . 7024 1 1306 . 2 2 165 165 LEU H H 1 8.5128 0.011 . . . . . . 165 LEU H . 7024 1 1307 . 2 2 165 165 LEU C C 13 177.597 0.325 . . . . . . 165 LEU C . 7024 1 1308 . 2 2 165 165 LEU CA C 13 54.1456 0.325 . . . . . . 165 LEU CA . 7024 1 1309 . 2 2 165 165 LEU CB C 13 42.0489 0.325 . . . . . . 165 LEU CB . 7024 1 1310 . 2 2 165 165 LEU N N 15 130.3650 0.113 . . . . . . 165 LEU N . 7024 1 1311 . 2 2 166 166 GLY H H 1 8.7542 0.011 . . . . . . 166 GLY H . 7024 1 1312 . 2 2 166 166 GLY C C 13 173.548 0.325 . . . . . . 166 GLY C . 7024 1 1313 . 2 2 166 166 GLY CA C 13 43.9678 0.325 . . . . . . 166 GLY CA . 7024 1 1314 . 2 2 166 166 GLY N N 15 109.5407 0.113 . . . . . . 166 GLY N . 7024 1 1315 . 2 2 167 167 SER H H 1 8.5683 0.011 . . . . . . 167 SER H . 7024 1 1316 . 2 2 167 167 SER C C 13 174.525 0.325 . . . . . . 167 SER C . 7024 1 1317 . 2 2 167 167 SER CA C 13 58.526 0.325 . . . . . . 167 SER CA . 7024 1 1318 . 2 2 167 167 SER CB C 13 64.971 0.325 . . . . . . 167 SER CB . 7024 1 1319 . 2 2 167 167 SER N N 15 114.7093 0.113 . . . . . . 167 SER N . 7024 1 1320 . 2 2 168 168 ASN H H 1 8.223 0.011 . . . . . . 168 ASN H . 7024 1 1321 . 2 2 168 168 ASN C C 13 174.488 0.325 . . . . . . 168 ASN C . 7024 1 1322 . 2 2 168 168 ASN CA C 13 54.727 0.325 . . . . . . 168 ASN CA . 7024 1 1323 . 2 2 168 168 ASN CB C 13 38.476 0.325 . . . . . . 168 ASN CB . 7024 1 1324 . 2 2 168 168 ASN N N 15 115.224 0.113 . . . . . . 168 ASN N . 7024 1 1325 . 2 2 169 169 ILE H H 1 8.0655 0.011 . . . . . . 169 ILE H . 7024 1 1326 . 2 2 169 169 ILE C C 13 175.255 0.325 . . . . . . 169 ILE C . 7024 1 1327 . 2 2 169 169 ILE CA C 13 60.8467 0.325 . . . . . . 169 ILE CA . 7024 1 1328 . 2 2 169 169 ILE CB C 13 37.9408 0.325 . . . . . . 169 ILE CB . 7024 1 1329 . 2 2 169 169 ILE N N 15 120.1736 0.113 . . . . . . 169 ILE N . 7024 1 1330 . 2 2 170 170 SER H H 1 8.6783 0.011 . . . . . . 170 SER H . 7024 1 1331 . 2 2 170 170 SER CA C 13 55.6818 0.325 . . . . . . 170 SER CA . 7024 1 1332 . 2 2 170 170 SER CB C 13 64.9600 0.325 . . . . . . 170 SER CB . 7024 1 1333 . 2 2 170 170 SER N N 15 120.5152 0.113 . . . . . . 170 SER N . 7024 1 1334 . 2 2 172 172 LYS H H 1 6.8838 0.011 . . . . . . 172 LYS H . 7024 1 1335 . 2 2 172 172 LYS C C 13 173.560 0.325 . . . . . . 172 LYS C . 7024 1 1336 . 2 2 172 172 LYS CA C 13 55.2128 0.325 . . . . . . 172 LYS CA . 7024 1 1337 . 2 2 172 172 LYS CB C 13 31.7113 0.325 . . . . . . 172 LYS CB . 7024 1 1338 . 2 2 172 172 LYS N N 15 118.1298 0.113 . . . . . . 172 LYS N . 7024 1 1339 . 2 2 173 173 LYS H H 1 8.0378 0.011 . . . . . . 173 LYS H . 7024 1 1340 . 2 2 173 173 LYS C C 13 175.950 0.325 . . . . . . 173 LYS C . 7024 1 1341 . 2 2 173 173 LYS CA C 13 58.3632 0.325 . . . . . . 173 LYS CA . 7024 1 1342 . 2 2 173 173 LYS CB C 13 31.606 0.325 . . . . . . 173 LYS CB . 7024 1 1343 . 2 2 173 173 LYS N N 15 117.9487 0.113 . . . . . . 173 LYS N . 7024 1 1344 . 2 2 174 174 VAL H H 1 6.5762 0.011 . . . . . . 174 VAL H . 7024 1 1345 . 2 2 174 174 VAL C C 13 174.746 0.325 . . . . . . 174 VAL C . 7024 1 1346 . 2 2 174 174 VAL CA C 13 59.5824 0.325 . . . . . . 174 VAL CA . 7024 1 1347 . 2 2 174 174 VAL CB C 13 32.3720 0.325 . . . . . . 174 VAL CB . 7024 1 1348 . 2 2 174 174 VAL N N 15 118.5562 0.113 . . . . . . 174 VAL N . 7024 1 1349 . 2 2 175 175 SER H H 1 7.6114 0.011 . . . . . . 175 SER H . 7024 1 1350 . 2 2 175 175 SER C C 13 172.058 0.325 . . . . . . 175 SER C . 7024 1 1351 . 2 2 175 175 SER CA C 13 59.852 0.325 . . . . . . 175 SER CA . 7024 1 1352 . 2 2 175 175 SER CB C 13 63.4840 0.325 . . . . . . 175 SER CB . 7024 1 1353 . 2 2 175 175 SER N N 15 115.7821 0.113 . . . . . . 175 SER N . 7024 1 1354 . 2 2 176 176 TYR H H 1 8.5054 0.011 . . . . . . 176 TYR H . 7024 1 1355 . 2 2 176 176 TYR C C 13 175.549 0.325 . . . . . . 176 TYR C . 7024 1 1356 . 2 2 176 176 TYR CA C 13 58.939 0.325 . . . . . . 176 TYR CA . 7024 1 1357 . 2 2 176 176 TYR CB C 13 39.159 0.325 . . . . . . 176 TYR CB . 7024 1 1358 . 2 2 176 176 TYR N N 15 124.6117 0.113 . . . . . . 176 TYR N . 7024 1 1359 . 2 2 177 177 GLU H H 1 7.2527 0.011 . . . . . . 177 GLU H . 7024 1 1360 . 2 2 177 177 GLU C C 13 175.500 0.325 . . . . . . 177 GLU C . 7024 1 1361 . 2 2 177 177 GLU CA C 13 54.0020 0.325 . . . . . . 177 GLU CA . 7024 1 1362 . 2 2 177 177 GLU CB C 13 33.0809 0.325 . . . . . . 177 GLU CB . 7024 1 1363 . 2 2 177 177 GLU N N 15 129.0926 0.113 . . . . . . 177 GLU N . 7024 1 1364 . 2 2 178 178 ASP H H 1 7.7876 0.011 . . . . . . 178 ASP H . 7024 1 1365 . 2 2 178 178 ASP C C 13 173.800 0.325 . . . . . . 178 ASP C . 7024 1 1366 . 2 2 178 178 ASP CA C 13 53.3464 0.325 . . . . . . 178 ASP CA . 7024 1 1367 . 2 2 178 178 ASP CB C 13 40.0229 0.325 . . . . . . 178 ASP CB . 7024 1 1368 . 2 2 178 178 ASP N N 15 121.9198 0.113 . . . . . . 178 ASP N . 7024 1 1369 . 2 2 179 179 ILE H H 1 8.7743 0.011 . . . . . . 179 ILE H . 7024 1 1370 . 2 2 179 179 ILE C C 13 177.296 0.325 . . . . . . 179 ILE C . 7024 1 1371 . 2 2 179 179 ILE CA C 13 62.2035 0.325 . . . . . . 179 ILE CA . 7024 1 1372 . 2 2 179 179 ILE CB C 13 41.5030 0.325 . . . . . . 179 ILE CB . 7024 1 1373 . 2 2 179 179 ILE N N 15 127.6588 0.113 . . . . . . 179 ILE N . 7024 1 1374 . 2 2 180 180 ILE H H 1 8.9641 0.011 . . . . . . 180 ILE H . 7024 1 1375 . 2 2 180 180 ILE C C 13 176.830 0.325 . . . . . . 180 ILE C . 7024 1 1376 . 2 2 180 180 ILE CA C 13 62.256 0.325 . . . . . . 180 ILE CA . 7024 1 1377 . 2 2 180 180 ILE CB C 13 38.425 0.325 . . . . . . 180 ILE CB . 7024 1 1378 . 2 2 180 180 ILE N N 15 121.0661 0.113 . . . . . . 180 ILE N . 7024 1 1379 . 2 2 181 181 GLY H H 1 9.2213 0.011 . . . . . . 181 GLY H . 7024 1 1380 . 2 2 181 181 GLY C C 13 173.781 0.325 . . . . . . 181 GLY C . 7024 1 1381 . 2 2 181 181 GLY CA C 13 44.1100 0.325 . . . . . . 181 GLY CA . 7024 1 1382 . 2 2 181 181 GLY N N 15 118.4363 0.113 . . . . . . 181 GLY N . 7024 1 1383 . 2 2 182 182 SER H H 1 8.875 0.011 . . . . . . 182 SER H . 7024 1 1384 . 2 2 182 182 SER C C 13 174.462 0.325 . . . . . . 182 SER C . 7024 1 1385 . 2 2 182 182 SER CA C 13 58.608 0.325 . . . . . . 182 SER CA . 7024 1 1386 . 2 2 182 182 SER CB C 13 61.150 0.325 . . . . . . 182 SER CB . 7024 1 1387 . 2 2 182 182 SER N N 15 121.824 0.113 . . . . . . 182 SER N . 7024 1 1388 . 2 2 183 183 THR H H 1 7.4590 0.011 . . . . . . 183 THR H . 7024 1 1389 . 2 2 183 183 THR C C 13 171.346 0.325 . . . . . . 183 THR C . 7024 1 1390 . 2 2 183 183 THR CA C 13 61.5830 0.325 . . . . . . 183 THR CA . 7024 1 1391 . 2 2 183 183 THR CB C 13 71.2064 0.325 . . . . . . 183 THR CB . 7024 1 1392 . 2 2 183 183 THR N N 15 123.7048 0.113 . . . . . . 183 THR N . 7024 1 1393 . 2 2 184 184 ILE H H 1 8.5701 0.011 . . . . . . 184 ILE H . 7024 1 1394 . 2 2 184 184 ILE C C 13 173.599 0.325 . . . . . . 184 ILE C . 7024 1 1395 . 2 2 184 184 ILE CA C 13 58.4004 0.325 . . . . . . 184 ILE CA . 7024 1 1396 . 2 2 184 184 ILE CB C 13 40.4652 0.325 . . . . . . 184 ILE CB . 7024 1 1397 . 2 2 184 184 ILE N N 15 127.4845 0.113 . . . . . . 184 ILE N . 7024 1 1398 . 2 2 185 185 VAL H H 1 8.4186 0.011 . . . . . . 185 VAL H . 7024 1 1399 . 2 2 185 185 VAL C C 13 174.275 0.325 . . . . . . 185 VAL C . 7024 1 1400 . 2 2 185 185 VAL CA C 13 59.071 0.325 . . . . . . 185 VAL CA . 7024 1 1401 . 2 2 185 185 VAL CB C 13 35.810 0.325 . . . . . . 185 VAL CB . 7024 1 1402 . 2 2 185 185 VAL N N 15 120.3748 0.113 . . . . . . 185 VAL N . 7024 1 1403 . 2 2 186 186 ASP H H 1 7.7798 0.011 . . . . . . 186 ASP H . 7024 1 1404 . 2 2 186 186 ASP C C 13 177.156 0.325 . . . . . . 186 ASP C . 7024 1 1405 . 2 2 186 186 ASP CA C 13 53.443 0.325 . . . . . . 186 ASP CA . 7024 1 1406 . 2 2 186 186 ASP CB C 13 40.865 0.325 . . . . . . 186 ASP CB . 7024 1 1407 . 2 2 186 186 ASP N N 15 122.2819 0.113 . . . . . . 186 ASP N . 7024 1 1408 . 2 2 187 187 THR H H 1 8.3368 0.011 . . . . . . 187 THR H . 7024 1 1409 . 2 2 187 187 THR C C 13 175.178 0.325 . . . . . . 187 THR C . 7024 1 1410 . 2 2 187 187 THR CA C 13 63.516 0.325 . . . . . . 187 THR CA . 7024 1 1411 . 2 2 187 187 THR CB C 13 68.711 0.325 . . . . . . 187 THR CB . 7024 1 1412 . 2 2 187 187 THR N N 15 118.8856 0.113 . . . . . . 187 THR N . 7024 1 1413 . 2 2 188 188 LYS H H 1 8.7502 0.011 . . . . . . 188 LYS H . 7024 1 1414 . 2 2 188 188 LYS C C 13 177.667 0.325 . . . . . . 188 LYS C . 7024 1 1415 . 2 2 188 188 LYS CA C 13 58.5547 0.325 . . . . . . 188 LYS CA . 7024 1 1416 . 2 2 188 188 LYS CB C 13 31.1372 0.325 . . . . . . 188 LYS CB . 7024 1 1417 . 2 2 188 188 LYS N N 15 122.0989 0.113 . . . . . . 188 LYS N . 7024 1 1418 . 2 2 189 189 CYS H H 1 7.095 0.011 . . . . . . 189 CYS H . 7024 1 1419 . 2 2 189 189 CYS C C 13 174.202 0.325 . . . . . . 189 CYS C . 7024 1 1420 . 2 2 189 189 CYS CA C 13 55.987 0.325 . . . . . . 189 CYS CA . 7024 1 1421 . 2 2 189 189 CYS N N 15 106.980 0.113 . . . . . . 189 CYS N . 7024 1 1422 . 2 2 190 190 VAL H H 1 8.058 0.011 . . . . . . 190 VAL H . 7024 1 1423 . 2 2 190 190 VAL C C 13 173.137 0.325 . . . . . . 190 VAL C . 7024 1 1424 . 2 2 190 190 VAL N N 15 123.665 0.113 . . . . . . 190 VAL N . 7024 1 1425 . 2 2 191 191 LYS H H 1 9.0419 0.011 . . . . . . 191 LYS H . 7024 1 1426 . 2 2 191 191 LYS C C 13 174.184 0.325 . . . . . . 191 LYS C . 7024 1 1427 . 2 2 191 191 LYS CA C 13 57.775 0.325 . . . . . . 191 LYS CA . 7024 1 1428 . 2 2 191 191 LYS CB C 13 33.9130 0.325 . . . . . . 191 LYS CB . 7024 1 1429 . 2 2 191 191 LYS N N 15 128.7566 0.113 . . . . . . 191 LYS N . 7024 1 1430 . 2 2 192 192 ASN H H 1 7.7655 0.011 . . . . . . 192 ASN H . 7024 1 1431 . 2 2 192 192 ASN C C 13 173.706 0.325 . . . . . . 192 ASN C . 7024 1 1432 . 2 2 192 192 ASN CA C 13 50.7272 0.325 . . . . . . 192 ASN CA . 7024 1 1433 . 2 2 192 192 ASN CB C 13 42.6636 0.325 . . . . . . 192 ASN CB . 7024 1 1434 . 2 2 192 192 ASN N N 15 109.4968 0.113 . . . . . . 192 ASN N . 7024 1 1435 . 2 2 193 193 LEU H H 1 9.6271 0.011 . . . . . . 193 LEU H . 7024 1 1436 . 2 2 193 193 LEU C C 13 173.997 0.325 . . . . . . 193 LEU C . 7024 1 1437 . 2 2 193 193 LEU CA C 13 55.0419 0.325 . . . . . . 193 LEU CA . 7024 1 1438 . 2 2 193 193 LEU CB C 13 45.9579 0.325 . . . . . . 193 LEU CB . 7024 1 1439 . 2 2 193 193 LEU N N 15 121.2978 0.113 . . . . . . 193 LEU N . 7024 1 1440 . 2 2 194 194 GLU H H 1 9.086 0.011 . . . . . . 194 GLU H . 7024 1 1441 . 2 2 194 194 GLU C C 13 173.681 0.325 . . . . . . 194 GLU C . 7024 1 1442 . 2 2 194 194 GLU CA C 13 55.640 0.325 . . . . . . 194 GLU CA . 7024 1 1443 . 2 2 194 194 GLU CB C 13 34.819 0.325 . . . . . . 194 GLU CB . 7024 1 1444 . 2 2 194 194 GLU N N 15 124.020 0.113 . . . . . . 194 GLU N . 7024 1 1445 . 2 2 195 195 PHE H H 1 9.530 0.011 . . . . . . 195 PHE H . 7024 1 1446 . 2 2 195 195 PHE C C 13 171.826 0.325 . . . . . . 195 PHE C . 7024 1 1447 . 2 2 195 195 PHE CA C 13 55.810 0.325 . . . . . . 195 PHE CA . 7024 1 1448 . 2 2 195 195 PHE CB C 13 43.0223 0.325 . . . . . . 195 PHE CB . 7024 1 1449 . 2 2 195 195 PHE N N 15 122.1845 0.113 . . . . . . 195 PHE N . 7024 1 1450 . 2 2 196 196 SER H H 1 8.844 0.011 . . . . . . 196 SER H . 7024 1 1451 . 2 2 196 196 SER C C 13 174.425 0.325 . . . . . . 196 SER C . 7024 1 1452 . 2 2 196 196 SER CA C 13 56.925 0.325 . . . . . . 196 SER CA . 7024 1 1453 . 2 2 196 196 SER CB C 13 62.016 0.325 . . . . . . 196 SER CB . 7024 1 1454 . 2 2 196 196 SER N N 15 122.129 0.113 . . . . . . 196 SER N . 7024 1 1455 . 2 2 197 197 VAL H H 1 8.7975 0.011 . . . . . . 197 VAL H . 7024 1 1456 . 2 2 197 197 VAL C C 13 172.543 0.325 . . . . . . 197 VAL C . 7024 1 1457 . 2 2 197 197 VAL CA C 13 59.4183 0.325 . . . . . . 197 VAL CA . 7024 1 1458 . 2 2 197 197 VAL CB C 13 33.8688 0.325 . . . . . . 197 VAL CB . 7024 1 1459 . 2 2 197 197 VAL N N 15 125.4334 0.113 . . . . . . 197 VAL N . 7024 1 1460 . 2 2 198 198 ARG H H 1 8.929 0.011 . . . . . . 198 ARG H . 7024 1 1461 . 2 2 198 198 ARG C C 13 174.951 0.325 . . . . . . 198 ARG C . 7024 1 1462 . 2 2 198 198 ARG CA C 13 52.505 0.325 . . . . . . 198 ARG CA . 7024 1 1463 . 2 2 198 198 ARG CB C 13 34.746 0.325 . . . . . . 198 ARG CB . 7024 1 1464 . 2 2 198 198 ARG N N 15 125.221 0.113 . . . . . . 198 ARG N . 7024 1 1465 . 2 2 199 199 ILE H H 1 7.7609 0.011 . . . . . . 199 ILE H . 7024 1 1466 . 2 2 199 199 ILE C C 13 174.266 0.325 . . . . . . 199 ILE C . 7024 1 1467 . 2 2 199 199 ILE CA C 13 59.8615 0.325 . . . . . . 199 ILE CA . 7024 1 1468 . 2 2 199 199 ILE CB C 13 39.5784 0.325 . . . . . . 199 ILE CB . 7024 1 1469 . 2 2 199 199 ILE N N 15 119.0198 0.113 . . . . . . 199 ILE N . 7024 1 1470 . 2 2 200 200 GLY H H 1 8.2923 0.011 . . . . . . 200 GLY H . 7024 1 1471 . 2 2 200 200 GLY C C 13 170.851 0.325 . . . . . . 200 GLY C . 7024 1 1472 . 2 2 200 200 GLY CA C 13 45.6485 0.325 . . . . . . 200 GLY CA . 7024 1 1473 . 2 2 200 200 GLY N N 15 111.2167 0.113 . . . . . . 200 GLY N . 7024 1 1474 . 2 2 201 201 ASP H H 1 9.5116 0.011 . . . . . . 201 ASP H . 7024 1 1475 . 2 2 201 201 ASP C C 13 177.708 0.325 . . . . . . 201 ASP C . 7024 1 1476 . 2 2 201 201 ASP CA C 13 53.8410 0.325 . . . . . . 201 ASP CA . 7024 1 1477 . 2 2 201 201 ASP CB C 13 42.730 0.325 . . . . . . 201 ASP CB . 7024 1 1478 . 2 2 201 201 ASP N N 15 122.1845 0.113 . . . . . . 201 ASP N . 7024 1 1479 . 2 2 202 202 MET H H 1 8.7272 0.011 . . . . . . 202 MET H . 7024 1 1480 . 2 2 202 202 MET C C 13 176.370 0.325 . . . . . . 202 MET C . 7024 1 1481 . 2 2 202 202 MET CA C 13 58.313 0.325 . . . . . . 202 MET CA . 7024 1 1482 . 2 2 202 202 MET CB C 13 34.686 0.325 . . . . . . 202 MET CB . 7024 1 1483 . 2 2 202 202 MET N N 15 123.5533 0.113 . . . . . . 202 MET N . 7024 1 1484 . 2 2 203 203 CYS H H 1 9.3591 0.011 . . . . . . 203 CYS H . 7024 1 1485 . 2 2 203 203 CYS C C 13 174.454 0.325 . . . . . . 203 CYS C . 7024 1 1486 . 2 2 203 203 CYS CA C 13 57.2268 0.325 . . . . . . 203 CYS CA . 7024 1 1487 . 2 2 203 203 CYS CB C 13 43.5100 0.325 . . . . . . 203 CYS CB . 7024 1 1488 . 2 2 203 203 CYS N N 15 116.4927 0.113 . . . . . . 203 CYS N . 7024 1 1489 . 2 2 204 204 LYS H H 1 7.8699 0.011 . . . . . . 204 LYS H . 7024 1 1490 . 2 2 204 204 LYS C C 13 173.837 0.325 . . . . . . 204 LYS C . 7024 1 1491 . 2 2 204 204 LYS CA C 13 55.613 0.325 . . . . . . 204 LYS CA . 7024 1 1492 . 2 2 204 204 LYS CB C 13 33.115 0.325 . . . . . . 204 LYS CB . 7024 1 1493 . 2 2 204 204 LYS N N 15 121.7202 0.113 . . . . . . 204 LYS N . 7024 1 1494 . 2 2 205 205 GLU H H 1 8.300 0.011 . . . . . . 205 GLU H . 7024 1 1495 . 2 2 205 205 GLU C C 13 177.296 0.325 . . . . . . 205 GLU C . 7024 1 1496 . 2 2 205 205 GLU CA C 13 57.273 0.325 . . . . . . 205 GLU CA . 7024 1 1497 . 2 2 205 205 GLU CB C 13 29.410 0.325 . . . . . . 205 GLU CB . 7024 1 1498 . 2 2 205 205 GLU N N 15 123.810 0.113 . . . . . . 205 GLU N . 7024 1 1499 . 2 2 206 206 SER H H 1 8.964 0.011 . . . . . . 206 SER H . 7024 1 1500 . 2 2 206 206 SER CA C 13 57.102 0.325 . . . . . . 206 SER CA . 7024 1 1501 . 2 2 206 206 SER CB C 13 64.277 0.325 . . . . . . 206 SER CB . 7024 1 1502 . 2 2 206 206 SER N N 15 121.066 0.113 . . . . . . 206 SER N . 7024 1 1503 . 2 2 208 208 GLU H H 1 8.9739 0.011 . . . . . . 208 GLU H . 7024 1 1504 . 2 2 208 208 GLU C C 13 175.831 0.325 . . . . . . 208 GLU C . 7024 1 1505 . 2 2 208 208 GLU CA C 13 57.7422 0.325 . . . . . . 208 GLU CA . 7024 1 1506 . 2 2 208 208 GLU CB C 13 29.1114 0.325 . . . . . . 208 GLU CB . 7024 1 1507 . 2 2 208 208 GLU N N 15 120.1478 0.113 . . . . . . 208 GLU N . 7024 1 1508 . 2 2 209 209 LEU H H 1 7.996 0.011 . . . . . . 209 LEU H . 7024 1 1509 . 2 2 209 209 LEU C C 13 173.421 0.325 . . . . . . 209 LEU C . 7024 1 1510 . 2 2 209 209 LEU CA C 13 53.313 0.325 . . . . . . 209 LEU CA . 7024 1 1511 . 2 2 209 209 LEU CB C 13 41.808 0.325 . . . . . . 209 LEU CB . 7024 1 1512 . 2 2 209 209 LEU N N 15 117.5771 0.113 . . . . . . 209 LEU N . 7024 1 1513 . 2 2 210 210 GLU H H 1 6.7626 0.011 . . . . . . 210 GLU H . 7024 1 1514 . 2 2 210 210 GLU C C 13 176.979 0.325 . . . . . . 210 GLU C . 7024 1 1515 . 2 2 210 210 GLU CA C 13 53.798 0.325 . . . . . . 210 GLU CA . 7024 1 1516 . 2 2 210 210 GLU CB C 13 28.6984 0.325 . . . . . . 210 GLU CB . 7024 1 1517 . 2 2 210 210 GLU N N 15 112.2086 0.113 . . . . . . 210 GLU N . 7024 1 1518 . 2 2 211 211 VAL H H 1 8.4606 0.011 . . . . . . 211 VAL H . 7024 1 1519 . 2 2 211 211 VAL C C 13 177.470 0.325 . . . . . . 211 VAL C . 7024 1 1520 . 2 2 211 211 VAL CA C 13 58.717 0.325 . . . . . . 211 VAL CA . 7024 1 1521 . 2 2 211 211 VAL CB C 13 36.754 0.325 . . . . . . 211 VAL CB . 7024 1 1522 . 2 2 211 211 VAL N N 15 113.5448 0.113 . . . . . . 211 VAL N . 7024 1 1523 . 2 2 212 212 LYS H H 1 8.680 0.011 . . . . . . 212 LYS H . 7024 1 1524 . 2 2 212 212 LYS C C 13 173.260 0.325 . . . . . . 212 LYS C . 7024 1 1525 . 2 2 212 212 LYS CA C 13 54.711 0.325 . . . . . . 212 LYS CA . 7024 1 1526 . 2 2 212 212 LYS CB C 13 37.521 0.325 . . . . . . 212 LYS CB . 7024 1 1527 . 2 2 212 212 LYS N N 15 124.149 0.113 . . . . . . 212 LYS N . 7024 1 1528 . 2 2 213 213 ASP H H 1 9.1119 0.011 . . . . . . 213 ASP H . 7024 1 1529 . 2 2 213 213 ASP C C 13 175.615 0.325 . . . . . . 213 ASP C . 7024 1 1530 . 2 2 213 213 ASP CA C 13 51.6875 0.325 . . . . . . 213 ASP CA . 7024 1 1531 . 2 2 213 213 ASP CB C 13 45.292 0.325 . . . . . . 213 ASP CB . 7024 1 1532 . 2 2 213 213 ASP N N 15 124.6814 0.113 . . . . . . 213 ASP N . 7024 1 1533 . 2 2 214 214 GLY H H 1 9.9779 0.011 . . . . . . 214 GLY H . 7024 1 1534 . 2 2 214 214 GLY C C 13 170.596 0.325 . . . . . . 214 GLY C . 7024 1 1535 . 2 2 214 214 GLY CA C 13 46.0989 0.325 . . . . . . 214 GLY CA . 7024 1 1536 . 2 2 214 214 GLY N N 15 111.7888 0.113 . . . . . . 214 GLY N . 7024 1 1537 . 2 2 215 215 PHE H H 1 8.5322 0.011 . . . . . . 215 PHE H . 7024 1 1538 . 2 2 215 215 PHE C C 13 173.028 0.325 . . . . . . 215 PHE C . 7024 1 1539 . 2 2 215 215 PHE CA C 13 56.5000 0.325 . . . . . . 215 PHE CA . 7024 1 1540 . 2 2 215 215 PHE CB C 13 43.4268 0.325 . . . . . . 215 PHE CB . 7024 1 1541 . 2 2 215 215 PHE N N 15 120.0228 0.113 . . . . . . 215 PHE N . 7024 1 1542 . 2 2 216 216 LYS H H 1 8.2224 0.011 . . . . . . 216 LYS H . 7024 1 1543 . 2 2 216 216 LYS C C 13 173.162 0.325 . . . . . . 216 LYS C . 7024 1 1544 . 2 2 216 216 LYS CA C 13 55.0558 0.325 . . . . . . 216 LYS CA . 7024 1 1545 . 2 2 216 216 LYS CB C 13 35.4611 0.325 . . . . . . 216 LYS CB . 7024 1 1546 . 2 2 216 216 LYS N N 15 125.0919 0.113 . . . . . . 216 LYS N . 7024 1 1547 . 2 2 217 217 TYR H H 1 9.2222 0.011 . . . . . . 217 TYR H . 7024 1 1548 . 2 2 217 217 TYR C C 13 173.268 0.325 . . . . . . 217 TYR C . 7024 1 1549 . 2 2 217 217 TYR CA C 13 54.893 0.325 . . . . . . 217 TYR CA . 7024 1 1550 . 2 2 217 217 TYR CB C 13 38.938 0.325 . . . . . . 217 TYR CB . 7024 1 1551 . 2 2 217 217 TYR N N 15 125.9488 0.113 . . . . . . 217 TYR N . 7024 1 1552 . 2 2 218 218 VAL H H 1 7.9551 0.011 . . . . . . 218 VAL H . 7024 1 1553 . 2 2 218 218 VAL C C 13 175.880 0.325 . . . . . . 218 VAL C . 7024 1 1554 . 2 2 218 218 VAL CA C 13 60.0015 0.325 . . . . . . 218 VAL CA . 7024 1 1555 . 2 2 218 218 VAL CB C 13 34.6994 0.325 . . . . . . 218 VAL CB . 7024 1 1556 . 2 2 218 218 VAL N N 15 123.2761 0.113 . . . . . . 218 VAL N . 7024 1 1557 . 2 2 219 219 ASP H H 1 8.2832 0.011 . . . . . . 219 ASP H . 7024 1 1558 . 2 2 219 219 ASP C C 13 176.144 0.325 . . . . . . 219 ASP C . 7024 1 1559 . 2 2 219 219 ASP CA C 13 55.1475 0.325 . . . . . . 219 ASP CA . 7024 1 1560 . 2 2 219 219 ASP CB C 13 38.9957 0.325 . . . . . . 219 ASP CB . 7024 1 1561 . 2 2 219 219 ASP N N 15 125.9951 0.113 . . . . . . 219 ASP N . 7024 1 1562 . 2 2 220 220 GLY H H 1 8.4819 0.011 . . . . . . 220 GLY H . 7024 1 1563 . 2 2 220 220 GLY C C 13 174.098 0.325 . . . . . . 220 GLY C . 7024 1 1564 . 2 2 220 220 GLY CA C 13 45.176 0.325 . . . . . . 220 GLY CA . 7024 1 1565 . 2 2 220 220 GLY N N 15 103.550 0.113 . . . . . . 220 GLY N . 7024 1 1566 . 2 2 221 221 SER H H 1 7.5454 0.011 . . . . . . 221 SER H . 7024 1 1567 . 2 2 221 221 SER C C 13 172.504 0.325 . . . . . . 221 SER C . 7024 1 1568 . 2 2 221 221 SER CA C 13 57.0865 0.325 . . . . . . 221 SER CA . 7024 1 1569 . 2 2 221 221 SER CB C 13 64.5500 0.325 . . . . . . 221 SER CB . 7024 1 1570 . 2 2 221 221 SER N N 15 116.0842 0.113 . . . . . . 221 SER N . 7024 1 1571 . 2 2 222 222 ALA H H 1 8.8741 0.011 . . . . . . 222 ALA H . 7024 1 1572 . 2 2 222 222 ALA C C 13 176.998 0.325 . . . . . . 222 ALA C . 7024 1 1573 . 2 2 222 222 ALA CA C 13 49.8674 0.325 . . . . . . 222 ALA CA . 7024 1 1574 . 2 2 222 222 ALA CB C 13 22.0453 0.325 . . . . . . 222 ALA CB . 7024 1 1575 . 2 2 222 222 ALA N N 15 128.8788 0.113 . . . . . . 222 ALA N . 7024 1 1576 . 2 2 223 223 SER H H 1 8.5380 0.011 . . . . . . 223 SER H . 7024 1 1577 . 2 2 223 223 SER C C 13 173.146 0.325 . . . . . . 223 SER C . 7024 1 1578 . 2 2 223 223 SER CA C 13 57.8788 0.325 . . . . . . 223 SER CA . 7024 1 1579 . 2 2 223 223 SER CB C 13 65.511 0.325 . . . . . . 223 SER CB . 7024 1 1580 . 2 2 223 223 SER N N 15 114.5000 0.113 . . . . . . 223 SER N . 7024 1 1581 . 2 2 224 224 LYS H H 1 8.5443 0.011 . . . . . . 224 LYS H . 7024 1 1582 . 2 2 224 224 LYS C C 13 177.115 0.325 . . . . . . 224 LYS C . 7024 1 1583 . 2 2 224 224 LYS CA C 13 55.557 0.325 . . . . . . 224 LYS CA . 7024 1 1584 . 2 2 224 224 LYS CB C 13 34.789 0.325 . . . . . . 224 LYS CB . 7024 1 1585 . 2 2 224 224 LYS N N 15 121.5518 0.113 . . . . . . 224 LYS N . 7024 1 1586 . 2 2 225 225 GLY H H 1 7.9533 0.011 . . . . . . 225 GLY H . 7024 1 1587 . 2 2 225 225 GLY C C 13 171.987 0.325 . . . . . . 225 GLY C . 7024 1 1588 . 2 2 225 225 GLY CA C 13 45.1924 0.325 . . . . . . 225 GLY CA . 7024 1 1589 . 2 2 225 225 GLY N N 15 105.9825 0.113 . . . . . . 225 GLY N . 7024 1 1590 . 2 2 226 226 ALA H H 1 8.581 0.011 . . . . . . 226 ALA H . 7024 1 1591 . 2 2 226 226 ALA C C 13 175.484 0.325 . . . . . . 226 ALA C . 7024 1 1592 . 2 2 226 226 ALA CA C 13 50.919 0.325 . . . . . . 226 ALA CA . 7024 1 1593 . 2 2 226 226 ALA CB C 13 18.503 0.325 . . . . . . 226 ALA CB . 7024 1 1594 . 2 2 226 226 ALA N N 15 124.853 0.113 . . . . . . 226 ALA N . 7024 1 1595 . 2 2 227 227 THR H H 1 8.4196 0.011 . . . . . . 227 THR H . 7024 1 1596 . 2 2 227 227 THR C C 13 172.865 0.325 . . . . . . 227 THR C . 7024 1 1597 . 2 2 227 227 THR CA C 13 59.3781 0.325 . . . . . . 227 THR CA . 7024 1 1598 . 2 2 227 227 THR CB C 13 70.7408 0.325 . . . . . . 227 THR CB . 7024 1 1599 . 2 2 227 227 THR N N 15 115.2927 0.113 . . . . . . 227 THR N . 7024 1 1600 . 2 2 228 228 ASP H H 1 8.483 0.011 . . . . . . 228 ASP H . 7024 1 1601 . 2 2 228 228 ASP C C 13 175.948 0.325 . . . . . . 228 ASP C . 7024 1 1602 . 2 2 228 228 ASP CA C 13 53.900 0.325 . . . . . . 228 ASP CA . 7024 1 1603 . 2 2 228 228 ASP CB C 13 41.032 0.325 . . . . . . 228 ASP CB . 7024 1 1604 . 2 2 228 228 ASP N N 15 119.323 0.113 . . . . . . 228 ASP N . 7024 1 1605 . 2 2 229 229 ASP H H 1 8.4430 0.011 . . . . . . 229 ASP H . 7024 1 1606 . 2 2 229 229 ASP C C 13 176.776 0.325 . . . . . . 229 ASP C . 7024 1 1607 . 2 2 229 229 ASP CA C 13 54.030 0.325 . . . . . . 229 ASP CA . 7024 1 1608 . 2 2 229 229 ASP CB C 13 42.7808 0.325 . . . . . . 229 ASP CB . 7024 1 1609 . 2 2 229 229 ASP N N 15 126.9781 0.113 . . . . . . 229 ASP N . 7024 1 1610 . 2 2 230 230 THR H H 1 8.4188 0.011 . . . . . . 230 THR H . 7024 1 1611 . 2 2 230 230 THR C C 13 174.341 0.325 . . . . . . 230 THR C . 7024 1 1612 . 2 2 230 230 THR CA C 13 65.798 0.325 . . . . . . 230 THR CA . 7024 1 1613 . 2 2 230 230 THR CB C 13 69.0420 0.325 . . . . . . 230 THR CB . 7024 1 1614 . 2 2 230 230 THR N N 15 114.0551 0.113 . . . . . . 230 THR N . 7024 1 1615 . 2 2 232 232 LEU H H 1 7.1539 0.011 . . . . . . 232 LEU H . 7024 1 1616 . 2 2 232 232 LEU C C 13 177.125 0.325 . . . . . . 232 LEU C . 7024 1 1617 . 2 2 232 232 LEU CA C 13 58.2431 0.325 . . . . . . 232 LEU CA . 7024 1 1618 . 2 2 232 232 LEU CB C 13 41.9319 0.325 . . . . . . 232 LEU CB . 7024 1 1619 . 2 2 232 232 LEU N N 15 123.5194 0.113 . . . . . . 232 LEU N . 7024 1 1620 . 2 2 233 233 ILE H H 1 7.6644 0.011 . . . . . . 233 ILE H . 7024 1 1621 . 2 2 233 233 ILE C C 13 174.423 0.325 . . . . . . 233 ILE C . 7024 1 1622 . 2 2 233 233 ILE CA C 13 58.025 0.325 . . . . . . 233 ILE CA . 7024 1 1623 . 2 2 233 233 ILE CB C 13 41.477 0.325 . . . . . . 233 ILE CB . 7024 1 1624 . 2 2 233 233 ILE N N 15 106.2956 0.113 . . . . . . 233 ILE N . 7024 1 1625 . 2 2 234 234 ASP H H 1 8.2373 0.011 . . . . . . 234 ASP H . 7024 1 1626 . 2 2 234 234 ASP CA C 13 51.683 0.325 . . . . . . 234 ASP CA . 7024 1 1627 . 2 2 234 234 ASP CB C 13 39.3227 0.325 . . . . . . 234 ASP CB . 7024 1 1628 . 2 2 234 234 ASP N N 15 120.0399 0.113 . . . . . . 234 ASP N . 7024 1 1629 . 2 2 236 236 THR H H 1 8.3517 0.011 . . . . . . 236 THR H . 7024 1 1630 . 2 2 236 236 THR C C 13 176.066 0.325 . . . . . . 236 THR C . 7024 1 1631 . 2 2 236 236 THR CA C 13 63.9668 0.325 . . . . . . 236 THR CA . 7024 1 1632 . 2 2 236 236 THR CB C 13 68.4410 0.325 . . . . . . 236 THR CB . 7024 1 1633 . 2 2 236 236 THR N N 15 112.7161 0.113 . . . . . . 236 THR N . 7024 1 1634 . 2 2 237 237 LYS H H 1 6.9082 0.011 . . . . . . 237 LYS H . 7024 1 1635 . 2 2 237 237 LYS C C 13 176.572 0.325 . . . . . . 237 LYS C . 7024 1 1636 . 2 2 237 237 LYS CA C 13 55.074 0.325 . . . . . . 237 LYS CA . 7024 1 1637 . 2 2 237 237 LYS CB C 13 32.4250 0.325 . . . . . . 237 LYS CB . 7024 1 1638 . 2 2 237 237 LYS N N 15 117.7439 0.113 . . . . . . 237 LYS N . 7024 1 1639 . 2 2 238 238 LEU H H 1 6.7691 0.011 . . . . . . 238 LEU H . 7024 1 1640 . 2 2 238 238 LEU C C 13 176.357 0.325 . . . . . . 238 LEU C . 7024 1 1641 . 2 2 238 238 LEU CA C 13 55.503 0.325 . . . . . . 238 LEU CA . 7024 1 1642 . 2 2 238 238 LEU CB C 13 41.7043 0.325 . . . . . . 238 LEU CB . 7024 1 1643 . 2 2 238 238 LEU N N 15 116.9173 0.113 . . . . . . 238 LEU N . 7024 1 1644 . 2 2 239 239 LYS H H 1 8.6275 0.011 . . . . . . 239 LYS H . 7024 1 1645 . 2 2 239 239 LYS C C 13 175.138 0.325 . . . . . . 239 LYS C . 7024 1 1646 . 2 2 239 239 LYS CA C 13 53.4406 0.325 . . . . . . 239 LYS CA . 7024 1 1647 . 2 2 239 239 LYS CB C 13 33.9051 0.325 . . . . . . 239 LYS CB . 7024 1 1648 . 2 2 239 239 LYS N N 15 119.9793 0.113 . . . . . . 239 LYS N . 7024 1 1649 . 2 2 240 240 ALA H H 1 8.6598 0.011 . . . . . . 240 ALA H . 7024 1 1650 . 2 2 240 240 ALA C C 13 176.721 0.325 . . . . . . 240 ALA C . 7024 1 1651 . 2 2 240 240 ALA CA C 13 52.985 0.325 . . . . . . 240 ALA CA . 7024 1 1652 . 2 2 240 240 ALA CB C 13 18.4467 0.325 . . . . . . 240 ALA CB . 7024 1 1653 . 2 2 240 240 ALA N N 15 123.4698 0.113 . . . . . . 240 ALA N . 7024 1 1654 . 2 2 241 241 CYS H H 1 9.166 0.011 . . . . . . 241 CYS H . 7024 1 1655 . 2 2 241 241 CYS C C 13 175.244 0.325 . . . . . . 241 CYS C . 7024 1 1656 . 2 2 241 241 CYS CA C 13 52.436 0.325 . . . . . . 241 CYS CA . 7024 1 1657 . 2 2 241 241 CYS CB C 13 35.559 0.325 . . . . . . 241 CYS CB . 7024 1 1658 . 2 2 241 241 CYS N N 15 116.972 0.113 . . . . . . 241 CYS N . 7024 1 1659 . 2 2 242 242 VAL H H 1 7.6320 0.011 . . . . . . 242 VAL H . 7024 1 1660 . 2 2 242 242 VAL CA C 13 62.316 0.325 . . . . . . 242 VAL CA . 7024 1 1661 . 2 2 242 242 VAL CB C 13 34.190 0.325 . . . . . . 242 VAL CB . 7024 1 1662 . 2 2 242 242 VAL N N 15 118.7385 0.113 . . . . . . 242 VAL N . 7024 1 stop_ save_