data_6748 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6748 _Entry.Title ; NMR assignments of the Ki67FHA/hNIFK(226-269)3P complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-07-25 _Entry.Accession_date 2005-07-25 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 In-Ja Byeon . L. . 6748 2 Angela Gronenborn . M. . 6748 3 Hongyuan Li . . . 6748 4 Ming-Daw Tsai . . . 6748 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . BSGC . 6748 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6748 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 520 6748 '15N chemical shifts' 168 6748 '1H chemical shifts' 1055 6748 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2007-01-29 2005-07-25 original author . 6748 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 5959 'NMR Assignments of Ki67FHA in a free form' 6748 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6748 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Sequential phosphorylation and multisite interactions characterize specific target recognition by the FHA domain of Ki67. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 12 _Citation.Journal_issue 11 _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 987 _Citation.Page_last 993 _Citation.Year 2005 _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 In-Ja Byeon . L. . 6748 1 2 Hongyuan Li . . . 6748 1 3 Haiyan Song . . . 6748 1 4 Angela Gronenborn . M. . 6748 1 5 Ming-Daw Tsai . . . 6748 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hNIFK 6748 1 Ki67 6748 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6748 _Assembly.ID 1 _Assembly.Name 'The Ki67FHA/hNIFK(226-269)3P 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 free' _Assembly.Molecular_mass 22000 _Assembly.Enzyme_commission_number . _Assembly.Details 'Interaction between Ki67FHA and hNIFK(226-269)3P' _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' 6748 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 Ki67FHA 1 $The_FHA_domain_of_human_Ki67 . . yes native no no . . . 6748 1 2 hNIFK 2 $triply_phosphorylated_hNIFK(226-269) . . yes native no yes . . . 6748 1 stop_ loop_ _Assembly_interaction.ID _Assembly_interaction.Entity_assembly_ID_1 _Assembly_interaction.Entity_assembly_ID_2 _Assembly_interaction.Mol_interaction_type _Assembly_interaction.Entry_ID _Assembly_interaction.Assembly_ID 1 1 2 'Slow exchange' 6748 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_The_FHA_domain_of_human_Ki67 _Entity.Sf_category entity _Entity.Sf_framecode The_FHA_domain_of_human_Ki67 _Entity.Entry_ID 6748 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Ki67FHA _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 ; MWPTRRLVTIKRSGVDGPHF PLSLSTCLFGRGIECDIRIQ LPVVSKQHCKIEIHEQEAIL HNFSSTNPTQVNGSVIDEPV RLKHGDVITIIDRSFRYENE SLQNGRKSTEFPRKIREQEP ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB41210 . "nucleolar phosphoprotein Nopp34 [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 2 no DBJ BAF84592 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 3 no DBJ BAI47080 . "MKI67 (FHA domain) interacting nucleolar phosphoprotein [synthetic construct]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 4 no GB AAH12457 . "Similar to nucleolar protein interacting with the FHA domain of pKi-67, partial [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 8.27e-22 . . . . 6748 1 5 no GB AAH22990 . "MKI67 (FHA domain) interacting nucleolar phosphoprotein [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 6 no GB AAH24238 . "MKI67 (FHA domain) interacting nucleolar phosphoprotein [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.44e-21 . . . . 6748 1 7 no GB AAY14830 . "unknown [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 8 no GB ABM82604 . "MKI67 (FHA domain) interacting nucleolar phosphoprotein [synthetic construct]" . . . . . 100.00 293 100.00 100.00 1.37e-21 . . . . 6748 1 9 no REF NP_115766 . "MKI67 FHA domain-interacting nucleolar phosphoprotein [Homo sapiens]" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 10 no REF XP_003818352 . "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Pan paniscus]" . . . . . 100.00 293 97.73 100.00 3.61e-21 . . . . 6748 1 11 no REF XP_004031768 . "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Gorilla gorilla gorilla]" . . . . . 100.00 293 100.00 100.00 1.43e-21 . . . . 6748 1 12 no REF XP_009242042 . "PREDICTED: LOW QUALITY PROTEIN: MKI67 FHA domain-interacting nucleolar phosphoprotein-like [Pongo abelii]" . . . . . 100.00 292 97.73 100.00 4.75e-21 . . . . 6748 1 13 no REF XP_515769 . "PREDICTED: MKI67 FHA domain-interacting nucleolar phosphoprotein [Pan troglodytes]" . . . . . 100.00 293 97.73 100.00 3.72e-21 . . . . 6748 1 14 no SP Q9BYG3 . "RecName: Full=MKI67 FHA domain-interacting nucleolar phosphoprotein; AltName: Full=Nucleolar phosphoprotein Nopp34; AltName: Fu" . . . . . 100.00 293 100.00 100.00 1.53e-21 . . . . 6748 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'human antigen Ki67' . 6748 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 . MET . 6748 1 2 . TRP . 6748 1 3 . PRO . 6748 1 4 . THR . 6748 1 5 . ARG . 6748 1 6 . ARG . 6748 1 7 . LEU . 6748 1 8 . VAL . 6748 1 9 . THR . 6748 1 10 . ILE . 6748 1 11 . LYS . 6748 1 12 . ARG . 6748 1 13 . SER . 6748 1 14 . GLY . 6748 1 15 . VAL . 6748 1 16 . ASP . 6748 1 17 . GLY . 6748 1 18 . PRO . 6748 1 19 . HIS . 6748 1 20 . PHE . 6748 1 21 . PRO . 6748 1 22 . LEU . 6748 1 23 . SER . 6748 1 24 . LEU . 6748 1 25 . SER . 6748 1 26 . THR . 6748 1 27 . CYS . 6748 1 28 . LEU . 6748 1 29 . PHE . 6748 1 30 . GLY . 6748 1 31 . ARG . 6748 1 32 . GLY . 6748 1 33 . ILE . 6748 1 34 . GLU . 6748 1 35 . CYS . 6748 1 36 . ASP . 6748 1 37 . ILE . 6748 1 38 . ARG . 6748 1 39 . ILE . 6748 1 40 . GLN . 6748 1 41 . LEU . 6748 1 42 . PRO . 6748 1 43 . VAL . 6748 1 44 . VAL . 6748 1 45 . SER . 6748 1 46 . LYS . 6748 1 47 . GLN . 6748 1 48 . HIS . 6748 1 49 . CYS . 6748 1 50 . LYS . 6748 1 51 . ILE . 6748 1 52 . GLU . 6748 1 53 . ILE . 6748 1 54 . HIS . 6748 1 55 . GLU . 6748 1 56 . GLN . 6748 1 57 . GLU . 6748 1 58 . ALA . 6748 1 59 . ILE . 6748 1 60 . LEU . 6748 1 61 . HIS . 6748 1 62 . ASN . 6748 1 63 . PHE . 6748 1 64 . SER . 6748 1 65 . SER . 6748 1 66 . THR . 6748 1 67 . ASN . 6748 1 68 . PRO . 6748 1 69 . THR . 6748 1 70 . GLN . 6748 1 71 . VAL . 6748 1 72 . ASN . 6748 1 73 . GLY . 6748 1 74 . SER . 6748 1 75 . VAL . 6748 1 76 . ILE . 6748 1 77 . ASP . 6748 1 78 . GLU . 6748 1 79 . PRO . 6748 1 80 . VAL . 6748 1 81 . ARG . 6748 1 82 . LEU . 6748 1 83 . LYS . 6748 1 84 . HIS . 6748 1 85 . GLY . 6748 1 86 . ASP . 6748 1 87 . VAL . 6748 1 88 . ILE . 6748 1 89 . THR . 6748 1 90 . ILE . 6748 1 91 . ILE . 6748 1 92 . ASP . 6748 1 93 . ARG . 6748 1 94 . SER . 6748 1 95 . PHE . 6748 1 96 . ARG . 6748 1 97 . TYR . 6748 1 98 . GLU . 6748 1 99 . ASN . 6748 1 100 . GLU . 6748 1 101 . SER . 6748 1 102 . LEU . 6748 1 103 . GLN . 6748 1 104 . ASN . 6748 1 105 . GLY . 6748 1 106 . ARG . 6748 1 107 . LYS . 6748 1 108 . SER . 6748 1 109 . THR . 6748 1 110 . GLU . 6748 1 111 . PHE . 6748 1 112 . PRO . 6748 1 113 . ARG . 6748 1 114 . LYS . 6748 1 115 . ILE . 6748 1 116 . ARG . 6748 1 117 . GLU . 6748 1 118 . GLN . 6748 1 119 . GLU . 6748 1 120 . PRO . 6748 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 . MET 1 1 6748 1 . TRP 2 2 6748 1 . PRO 3 3 6748 1 . THR 4 4 6748 1 . ARG 5 5 6748 1 . ARG 6 6 6748 1 . LEU 7 7 6748 1 . VAL 8 8 6748 1 . THR 9 9 6748 1 . ILE 10 10 6748 1 . LYS 11 11 6748 1 . ARG 12 12 6748 1 . SER 13 13 6748 1 . GLY 14 14 6748 1 . VAL 15 15 6748 1 . ASP 16 16 6748 1 . GLY 17 17 6748 1 . PRO 18 18 6748 1 . HIS 19 19 6748 1 . PHE 20 20 6748 1 . PRO 21 21 6748 1 . LEU 22 22 6748 1 . SER 23 23 6748 1 . LEU 24 24 6748 1 . SER 25 25 6748 1 . THR 26 26 6748 1 . CYS 27 27 6748 1 . LEU 28 28 6748 1 . PHE 29 29 6748 1 . GLY 30 30 6748 1 . ARG 31 31 6748 1 . GLY 32 32 6748 1 . ILE 33 33 6748 1 . GLU 34 34 6748 1 . CYS 35 35 6748 1 . ASP 36 36 6748 1 . ILE 37 37 6748 1 . ARG 38 38 6748 1 . ILE 39 39 6748 1 . GLN 40 40 6748 1 . LEU 41 41 6748 1 . PRO 42 42 6748 1 . VAL 43 43 6748 1 . VAL 44 44 6748 1 . SER 45 45 6748 1 . LYS 46 46 6748 1 . GLN 47 47 6748 1 . HIS 48 48 6748 1 . CYS 49 49 6748 1 . LYS 50 50 6748 1 . ILE 51 51 6748 1 . GLU 52 52 6748 1 . ILE 53 53 6748 1 . HIS 54 54 6748 1 . GLU 55 55 6748 1 . GLN 56 56 6748 1 . GLU 57 57 6748 1 . ALA 58 58 6748 1 . ILE 59 59 6748 1 . LEU 60 60 6748 1 . HIS 61 61 6748 1 . ASN 62 62 6748 1 . PHE 63 63 6748 1 . SER 64 64 6748 1 . SER 65 65 6748 1 . THR 66 66 6748 1 . ASN 67 67 6748 1 . PRO 68 68 6748 1 . THR 69 69 6748 1 . GLN 70 70 6748 1 . VAL 71 71 6748 1 . ASN 72 72 6748 1 . GLY 73 73 6748 1 . SER 74 74 6748 1 . VAL 75 75 6748 1 . ILE 76 76 6748 1 . ASP 77 77 6748 1 . GLU 78 78 6748 1 . PRO 79 79 6748 1 . VAL 80 80 6748 1 . ARG 81 81 6748 1 . LEU 82 82 6748 1 . LYS 83 83 6748 1 . HIS 84 84 6748 1 . GLY 85 85 6748 1 . ASP 86 86 6748 1 . VAL 87 87 6748 1 . ILE 88 88 6748 1 . THR 89 89 6748 1 . ILE 90 90 6748 1 . ILE 91 91 6748 1 . ASP 92 92 6748 1 . ARG 93 93 6748 1 . SER 94 94 6748 1 . PHE 95 95 6748 1 . ARG 96 96 6748 1 . TYR 97 97 6748 1 . GLU 98 98 6748 1 . ASN 99 99 6748 1 . GLU 100 100 6748 1 . SER 101 101 6748 1 . LEU 102 102 6748 1 . GLN 103 103 6748 1 . ASN 104 104 6748 1 . GLY 105 105 6748 1 . ARG 106 106 6748 1 . LYS 107 107 6748 1 . SER 108 108 6748 1 . THR 109 109 6748 1 . GLU 110 110 6748 1 . PHE 111 111 6748 1 . PRO 112 112 6748 1 . ARG 113 113 6748 1 . LYS 114 114 6748 1 . ILE 115 115 6748 1 . ARG 116 116 6748 1 . GLU 117 117 6748 1 . GLN 118 118 6748 1 . GLU 119 119 6748 1 . PRO 120 120 6748 1 stop_ save_ save_triply_phosphorylated_hNIFK(226-269) _Entity.Sf_category entity _Entity.Sf_framecode triply_phosphorylated_hNIFK(226-269) _Entity.Entry_ID 6748 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name hNIFK _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 ; KTVDSQGPTPVCTPTFLERR KSQVAELNDDDKDDEIVFKQ PISC ; _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 120 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID hNIFK . 6748 2 'triply phosphorylated hNIFK(226-269) peptide' . 6748 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 1 226 LYS . 6748 2 2 227 THR . 6748 2 3 228 VAL . 6748 2 4 229 ASP . 6748 2 5 230 SER . 6748 2 6 231 GLN . 6748 2 7 232 GLY . 6748 2 8 233 PRO . 6748 2 9 234 THR . 6748 2 10 235 PRO . 6748 2 11 236 VAL . 6748 2 12 237 CYS . 6748 2 13 238 THR . 6748 2 14 239 PRO . 6748 2 15 240 THR . 6748 2 16 241 PHE . 6748 2 17 242 LEU . 6748 2 18 243 GLU . 6748 2 19 244 ARG . 6748 2 20 245 ARG . 6748 2 21 246 LYS . 6748 2 22 247 SER . 6748 2 23 248 GLN . 6748 2 24 249 VAL . 6748 2 25 250 ALA . 6748 2 26 251 GLU . 6748 2 27 252 LEU . 6748 2 28 253 ASN . 6748 2 29 254 ASP . 6748 2 30 255 ASP . 6748 2 31 256 ASP . 6748 2 32 257 LYS . 6748 2 33 258 ASP . 6748 2 34 259 ASP . 6748 2 35 260 GLU . 6748 2 36 261 ILE . 6748 2 37 262 VAL . 6748 2 38 263 PHE . 6748 2 39 264 LYS . 6748 2 40 265 GLN . 6748 2 41 266 PRO . 6748 2 42 267 ILE . 6748 2 43 268 SER . 6748 2 44 269 CYS . 6748 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 . LYS 1 1 6748 2 . THR 2 2 6748 2 . VAL 3 3 6748 2 . ASP 4 4 6748 2 . SER 5 5 6748 2 . GLN 6 6 6748 2 . GLY 7 7 6748 2 . PRO 8 8 6748 2 . THR 9 9 6748 2 . PRO 10 10 6748 2 . VAL 11 11 6748 2 . CYS 12 12 6748 2 . THR 13 13 6748 2 . PRO 14 14 6748 2 . THR 15 15 6748 2 . PHE 16 16 6748 2 . LEU 17 17 6748 2 . GLU 18 18 6748 2 . ARG 19 19 6748 2 . ARG 20 20 6748 2 . LYS 21 21 6748 2 . SER 22 22 6748 2 . GLN 23 23 6748 2 . VAL 24 24 6748 2 . ALA 25 25 6748 2 . GLU 26 26 6748 2 . LEU 27 27 6748 2 . ASN 28 28 6748 2 . ASP 29 29 6748 2 . ASP 30 30 6748 2 . ASP 31 31 6748 2 . LYS 32 32 6748 2 . ASP 33 33 6748 2 . ASP 34 34 6748 2 . GLU 35 35 6748 2 . ILE 36 36 6748 2 . VAL 37 37 6748 2 . PHE 38 38 6748 2 . LYS 39 39 6748 2 . GLN 40 40 6748 2 . PRO 41 41 6748 2 . ILE 42 42 6748 2 . SER 43 43 6748 2 . CYS 44 44 6748 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 6748 _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 $The_FHA_domain_of_human_Ki67 . 9606 . no . Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 6748 1 2 2 $triply_phosphorylated_hNIFK(226-269) . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6748 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 6748 _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 $The_FHA_domain_of_human_Ki67 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6748 1 2 2 $triply_phosphorylated_hNIFK(226-269) . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6748 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6748 _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 Ki67FHA '[U-13C; U-15N]' . . 1 $The_FHA_domain_of_human_Ki67 . . 1 . . mM . . . . 6748 1 2 hNIFK . . . 2 $triply_phosphorylated_hNIFK(226-269) . . 1 . . mM . . . . 6748 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 6748 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Ki67FHA . . . 1 $The_FHA_domain_of_human_Ki67 . . 1 . . mM . . . . 6748 2 2 hNIFK '[U-13C; U-15N]' . . 2 $triply_phosphorylated_hNIFK(226-269) . . 1 . . mM . . . . 6748 2 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 6748 _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 7.4 0.1 pH 6748 1 temperature 290 0 K 6748 1 stop_ 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 6748 _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 . . . . . . . . . 6748 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external indirect 1.0 . . . . . . . . . 6748 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6748 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 6748 _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 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err 0.15 _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 6748 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 MET H H 1 8.0300 0.0015 . . . . . . 1 MET H . 6748 1 2 . 1 1 1 1 MET HA H 1 4.39 0.0015 . . . . . . 1 MET HA . 6748 1 3 . 1 1 1 1 MET HB2 H 1 1.82 0.0015 . . . . . . 1 MET HB1 . 6748 1 4 . 1 1 1 1 MET HB3 H 1 1.79 0.0015 . . . . . . 1 MET HB2 . 6748 1 5 . 1 1 1 1 MET HG2 H 1 2.39 0.0015 . . . . . . 1 MET HG1 . 6748 1 6 . 1 1 1 1 MET HG3 H 1 2.31 0.0015 . . . . . . 1 MET HG2 . 6748 1 7 . 1 1 1 1 MET CA C 13 55.0600 0.15 . . . . . . 1 MET CA . 6748 1 8 . 1 1 1 1 MET CB C 13 32.7 0.15 . . . . . . 1 MET CB . 6748 1 9 . 1 1 1 1 MET CG C 13 31.2 0.15 . . . . . . 1 MET CG . 6748 1 10 . 1 1 1 1 MET N N 15 119.2300 0.15 . . . . . . 1 MET N . 6748 1 11 . 1 1 2 2 TRP H H 1 8.2800 0.0015 . . . . . . 2 TRP H . 6748 1 12 . 1 1 2 2 TRP HA H 1 4.8000 0.0015 . . . . . . 2 TRP HA . 6748 1 13 . 1 1 2 2 TRP HB2 H 1 3.2200 0.0015 . . . . . . 2 TRP HB1 . 6748 1 14 . 1 1 2 2 TRP HB3 H 1 3.0600 0.0015 . . . . . . 2 TRP HB2 . 6748 1 15 . 1 1 2 2 TRP HD1 H 1 7.1600 0.0015 . . . . . . 2 TRP HD1 . 6748 1 16 . 1 1 2 2 TRP HE1 H 1 10.1480 0.0015 . . . . . . 2 TRP HE1 . 6748 1 17 . 1 1 2 2 TRP HE3 H 1 7.5240 0.0015 . . . . . . 2 TRP HE3 . 6748 1 18 . 1 1 2 2 TRP HZ2 H 1 7.4160 0.0015 . . . . . . 2 TRP HZ2 . 6748 1 19 . 1 1 2 2 TRP HZ3 H 1 7.1530 0.0015 . . . . . . 2 TRP HZ3 . 6748 1 20 . 1 1 2 2 TRP HH2 H 1 7.1580 0.0015 . . . . . . 2 TRP HH2 . 6748 1 21 . 1 1 2 2 TRP CA C 13 54.9800 0.15 . . . . . . 2 TRP CA . 6748 1 22 . 1 1 2 2 TRP CB C 13 28.6600 0.15 . . . . . . 2 TRP CB . 6748 1 23 . 1 1 2 2 TRP CD1 C 13 126.5300 0.15 . . . . . . 2 TRP CD1 . 6748 1 24 . 1 1 2 2 TRP CE3 C 13 120.5900 0.15 . . . . . . 2 TRP CE3 . 6748 1 25 . 1 1 2 2 TRP CZ2 C 13 114.1000 0.15 . . . . . . 2 TRP CZ2 . 6748 1 26 . 1 1 2 2 TRP CZ3 C 13 124.0000 0.15 . . . . . . 2 TRP CZ3 . 6748 1 27 . 1 1 2 2 TRP N N 15 122.9000 0.15 . . . . . . 2 TRP N . 6748 1 28 . 1 1 2 2 TRP NE1 N 15 128.9600 0.15 . . . . . . 2 TRP NE1 . 6748 1 29 . 1 1 3 3 PRO HA H 1 4.4900 0.0015 . . . . . . 3 PRO HA . 6748 1 30 . 1 1 3 3 PRO HB2 H 1 1.86 0.0015 . . . . . . 3 PRO HB1 . 6748 1 31 . 1 1 3 3 PRO HB3 H 1 2.16 0.0015 . . . . . . 3 PRO HB2 . 6748 1 32 . 1 1 3 3 PRO HD2 H 1 3.58 0.0015 . . . . . . 3 PRO HD1 . 6748 1 33 . 1 1 3 3 PRO HD3 H 1 3.31 0.0015 . . . . . . 3 PRO HD2 . 6748 1 34 . 1 1 3 3 PRO CA C 13 62.6000 0.15 . . . . . . 3 PRO CA . 6748 1 35 . 1 1 3 3 PRO CB C 13 31.8 0.15 . . . . . . 3 PRO CB . 6748 1 36 . 1 1 3 3 PRO CD C 13 50.4 0.15 . . . . . . 3 PRO CD . 6748 1 37 . 1 1 4 4 THR H H 1 8.3500 0.0015 . . . . . . 4 THR H . 6748 1 38 . 1 1 4 4 THR HA H 1 4.1900 0.0015 . . . . . . 4 THR HA . 6748 1 39 . 1 1 4 4 THR HB H 1 4.2200 0.0015 . . . . . . 4 THR HB . 6748 1 40 . 1 1 4 4 THR HG21 H 1 1.1910 0.0015 . . . . . . 4 THR HG2 . 6748 1 41 . 1 1 4 4 THR HG22 H 1 1.1910 0.0015 . . . . . . 4 THR HG2 . 6748 1 42 . 1 1 4 4 THR HG23 H 1 1.1910 0.0015 . . . . . . 4 THR HG2 . 6748 1 43 . 1 1 4 4 THR CA C 13 62.4000 0.15 . . . . . . 4 THR CA . 6748 1 44 . 1 1 4 4 THR CB C 13 69.1000 0.15 . . . . . . 4 THR CB . 6748 1 45 . 1 1 4 4 THR CG2 C 13 21.7500 0.15 . . . . . . 4 THR CG2 . 6748 1 46 . 1 1 4 4 THR N N 15 114.6400 0.15 . . . . . . 4 THR N . 6748 1 47 . 1 1 5 5 ARG H H 1 7.9100 0.0015 . . . . . . 5 ARG H . 6748 1 48 . 1 1 5 5 ARG HA H 1 5.1400 0.0015 . . . . . . 5 ARG HA . 6748 1 49 . 1 1 5 5 ARG HB2 H 1 1.85 0.0015 . . . . . . 5 ARG HB1 . 6748 1 50 . 1 1 5 5 ARG HD2 H 1 3.3460 0.0015 . . . . . . 5 ARG HD1 . 6748 1 51 . 1 1 5 5 ARG HD3 H 1 3.2540 0.0015 . . . . . . 5 ARG HD2 . 6748 1 52 . 1 1 5 5 ARG CA C 13 54.4000 0.15 . . . . . . 5 ARG CA . 6748 1 53 . 1 1 5 5 ARG CB C 13 32.7 0.15 . . . . . . 5 ARG CB . 6748 1 54 . 1 1 5 5 ARG CD C 13 43.5500 0.15 . . . . . . 5 ARG CD . 6748 1 55 . 1 1 5 5 ARG N N 15 121.9500 0.15 . . . . . . 5 ARG N . 6748 1 56 . 1 1 6 6 ARG H H 1 9.1480 0.0015 . . . . . . 6 ARG H . 6748 1 57 . 1 1 6 6 ARG HA H 1 5.1300 0.0015 . . . . . . 6 ARG HA . 6748 1 58 . 1 1 6 6 ARG CA C 13 54.6900 0.15 . . . . . . 6 ARG CA . 6748 1 59 . 1 1 6 6 ARG CB C 13 33.5 0.15 . . . . . . 6 ARG CB . 6748 1 60 . 1 1 6 6 ARG N N 15 120.0700 0.15 . . . . . . 6 ARG N . 6748 1 61 . 1 1 7 7 LEU H H 1 8.8100 0.0015 . . . . . . 7 LEU H . 6748 1 62 . 1 1 7 7 LEU HA H 1 5.4170 0.0015 . . . . . . 7 LEU HA . 6748 1 63 . 1 1 7 7 LEU HB2 H 1 1.9550 0.0015 . . . . . . 7 LEU HB1 . 6748 1 64 . 1 1 7 7 LEU HB3 H 1 1.410 0.0015 . . . . . . 7 LEU HB2 . 6748 1 65 . 1 1 7 7 LEU HG H 1 1.84 0.0015 . . . . . . 7 LEU HG . 6748 1 66 . 1 1 7 7 LEU HD11 H 1 0.8400 0.0015 . . . . . . 7 LEU HD1 . 6748 1 67 . 1 1 7 7 LEU HD12 H 1 0.8400 0.0015 . . . . . . 7 LEU HD1 . 6748 1 68 . 1 1 7 7 LEU HD13 H 1 0.8400 0.0015 . . . . . . 7 LEU HD1 . 6748 1 69 . 1 1 7 7 LEU HD21 H 1 1.0400 0.0015 . . . . . . 7 LEU HD2 . 6748 1 70 . 1 1 7 7 LEU HD22 H 1 1.0400 0.0015 . . . . . . 7 LEU HD2 . 6748 1 71 . 1 1 7 7 LEU HD23 H 1 1.0400 0.0015 . . . . . . 7 LEU HD2 . 6748 1 72 . 1 1 7 7 LEU CA C 13 52.3000 0.15 . . . . . . 7 LEU CA . 6748 1 73 . 1 1 7 7 LEU CB C 13 45.2000 0.15 . . . . . . 7 LEU CB . 6748 1 74 . 1 1 7 7 LEU CG C 13 26.5 0.15 . . . . . . 7 LEU CG . 6748 1 75 . 1 1 7 7 LEU CD1 C 13 27.7600 0.15 . . . . . . 7 LEU CD1 . 6748 1 76 . 1 1 7 7 LEU CD2 C 13 23.7000 0.15 . . . . . . 7 LEU CD2 . 6748 1 77 . 1 1 7 7 LEU N N 15 116.6200 0.15 . . . . . . 7 LEU N . 6748 1 78 . 1 1 8 8 VAL H H 1 9.6800 0.0015 . . . . . . 8 VAL H . 6748 1 79 . 1 1 8 8 VAL HA H 1 4.0630 0.0015 . . . . . . 8 VAL HA . 6748 1 80 . 1 1 8 8 VAL HB H 1 1.8520 0.0015 . . . . . . 8 VAL HB . 6748 1 81 . 1 1 8 8 VAL HG11 H 1 0.8340 0.0015 . . . . . . 8 VAL HG1 . 6748 1 82 . 1 1 8 8 VAL HG12 H 1 0.8340 0.0015 . . . . . . 8 VAL HG1 . 6748 1 83 . 1 1 8 8 VAL HG13 H 1 0.8340 0.0015 . . . . . . 8 VAL HG1 . 6748 1 84 . 1 1 8 8 VAL HG21 H 1 0.3130 0.0015 . . . . . . 8 VAL HG2 . 6748 1 85 . 1 1 8 8 VAL HG22 H 1 0.3130 0.0015 . . . . . . 8 VAL HG2 . 6748 1 86 . 1 1 8 8 VAL HG23 H 1 0.3130 0.0015 . . . . . . 8 VAL HG2 . 6748 1 87 . 1 1 8 8 VAL CA C 13 62.2000 0.15 . . . . . . 8 VAL CA . 6748 1 88 . 1 1 8 8 VAL CB C 13 33.1700 0.15 . . . . . . 8 VAL CB . 6748 1 89 . 1 1 8 8 VAL CG1 C 13 19.4000 0.15 . . . . . . 8 VAL CG1 . 6748 1 90 . 1 1 8 8 VAL CG2 C 13 19.1000 0.15 . . . . . . 8 VAL CG2 . 6748 1 91 . 1 1 8 8 VAL N N 15 123.6100 0.15 . . . . . . 8 VAL N . 6748 1 92 . 1 1 9 9 THR H H 1 8.3440 0.0015 . . . . . . 9 THR H . 6748 1 93 . 1 1 9 9 THR HA H 1 3.9100 0.0015 . . . . . . 9 THR HA . 6748 1 94 . 1 1 9 9 THR HB H 1 4.09 0.0015 . . . . . . 9 THR HB . 6748 1 95 . 1 1 9 9 THR HG1 H 1 4.77 0.0015 . . . . . . 9 THR HG1 . 6748 1 96 . 1 1 9 9 THR HG21 H 1 1.1450 0.0015 . . . . . . 9 THR HG2 . 6748 1 97 . 1 1 9 9 THR HG22 H 1 1.1450 0.0015 . . . . . . 9 THR HG2 . 6748 1 98 . 1 1 9 9 THR HG23 H 1 1.1450 0.0015 . . . . . . 9 THR HG2 . 6748 1 99 . 1 1 9 9 THR CA C 13 64.5000 0.15 . . . . . . 9 THR CA . 6748 1 100 . 1 1 9 9 THR CB C 13 69.200 0.15 . . . . . . 9 THR CB . 6748 1 101 . 1 1 9 9 THR CG2 C 13 20.8000 0.15 . . . . . . 9 THR CG2 . 6748 1 102 . 1 1 9 9 THR N N 15 124.1100 0.15 . . . . . . 9 THR N . 6748 1 103 . 1 1 10 10 ILE H H 1 8.1090 0.0015 . . . . . . 10 ILE H . 6748 1 104 . 1 1 10 10 ILE HA H 1 4.2500 0.0015 . . . . . . 10 ILE HA . 6748 1 105 . 1 1 10 10 ILE HB H 1 1.6340 0.0015 . . . . . . 10 ILE HB . 6748 1 106 . 1 1 10 10 ILE HG12 H 1 1.2190 0.0015 . . . . . . 10 ILE HG11 . 6748 1 107 . 1 1 10 10 ILE HG13 H 1 1.1140 0.0015 . . . . . . 10 ILE HG12 . 6748 1 108 . 1 1 10 10 ILE HG21 H 1 0.8750 0.0015 . . . . . . 10 ILE HG2 . 6748 1 109 . 1 1 10 10 ILE HG22 H 1 0.8750 0.0015 . . . . . . 10 ILE HG2 . 6748 1 110 . 1 1 10 10 ILE HG23 H 1 0.8750 0.0015 . . . . . . 10 ILE HG2 . 6748 1 111 . 1 1 10 10 ILE HD11 H 1 0.6200 0.0015 . . . . . . 10 ILE HD1 . 6748 1 112 . 1 1 10 10 ILE HD12 H 1 0.6200 0.0015 . . . . . . 10 ILE HD1 . 6748 1 113 . 1 1 10 10 ILE HD13 H 1 0.6200 0.0015 . . . . . . 10 ILE HD1 . 6748 1 114 . 1 1 10 10 ILE CA C 13 59.1000 0.15 . . . . . . 10 ILE CA . 6748 1 115 . 1 1 10 10 ILE CB C 13 35.5300 0.15 . . . . . . 10 ILE CB . 6748 1 116 . 1 1 10 10 ILE CG1 C 13 26.3000 0.15 . . . . . . 10 ILE CG1 . 6748 1 117 . 1 1 10 10 ILE CG2 C 13 16.1500 0.15 . . . . . . 10 ILE CG2 . 6748 1 118 . 1 1 10 10 ILE CD1 C 13 10.7000 0.15 . . . . . . 10 ILE CD1 . 6748 1 119 . 1 1 10 10 ILE N N 15 126.3100 0.15 . . . . . . 10 ILE N . 6748 1 120 . 1 1 11 11 LYS H H 1 9.2160 0.0015 . . . . . . 11 LYS H . 6748 1 121 . 1 1 11 11 LYS HA H 1 4.0840 0.0015 . . . . . . 11 LYS HA . 6748 1 122 . 1 1 11 11 LYS HB2 H 1 2.1930 0.0015 . . . . . . 11 LYS HB1 . 6748 1 123 . 1 1 11 11 LYS HB3 H 1 1.7790 0.0015 . . . . . . 11 LYS HB2 . 6748 1 124 . 1 1 11 11 LYS HG2 H 1 1.4550 0.0015 . . . . . . 11 LYS HG1 . 6748 1 125 . 1 1 11 11 LYS HG3 H 1 1.3900 0.0015 . . . . . . 11 LYS HG2 . 6748 1 126 . 1 1 11 11 LYS HD2 H 1 1.6550 0.0015 . . . . . . 11 LYS HD . 6748 1 127 . 1 1 11 11 LYS HD3 H 1 1.6550 0.0015 . . . . . . 11 LYS HD . 6748 1 128 . 1 1 11 11 LYS HE2 H 1 3.0500 0.0015 . . . . . . 11 LYS HE . 6748 1 129 . 1 1 11 11 LYS HE3 H 1 3.0500 0.0015 . . . . . . 11 LYS HE . 6748 1 130 . 1 1 11 11 LYS CA C 13 57.7200 0.15 . . . . . . 11 LYS CA . 6748 1 131 . 1 1 11 11 LYS CB C 13 32.3000 0.15 . . . . . . 11 LYS CB . 6748 1 132 . 1 1 11 11 LYS CG C 13 26.1000 0.15 . . . . . . 11 LYS CG . 6748 1 133 . 1 1 11 11 LYS CD C 13 29.0000 0.15 . . . . . . 11 LYS CD . 6748 1 134 . 1 1 11 11 LYS CE C 13 41.8000 0.15 . . . . . . 11 LYS CE . 6748 1 135 . 1 1 11 11 LYS N N 15 128.3900 0.15 . . . . . . 11 LYS N . 6748 1 136 . 1 1 12 12 ARG H H 1 9.7790 0.0015 . . . . . . 12 ARG H . 6748 1 137 . 1 1 12 12 ARG HA H 1 3.9380 0.0015 . . . . . . 12 ARG HA . 6748 1 138 . 1 1 12 12 ARG HB2 H 1 1.6400 0.0015 . . . . . . 12 ARG HB . 6748 1 139 . 1 1 12 12 ARG HB3 H 1 1.6400 0.0015 . . . . . . 12 ARG HB . 6748 1 140 . 1 1 12 12 ARG HD2 H 1 3.3840 0.0015 . . . . . . 12 ARG HD1 . 6748 1 141 . 1 1 12 12 ARG HD3 H 1 3.0630 0.0015 . . . . . . 12 ARG HD2 . 6748 1 142 . 1 1 12 12 ARG HE H 1 7.6970 0.0015 . . . . . . 12 ARG HE . 6748 1 143 . 1 1 12 12 ARG HH11 H 1 6.99 0.0015 . . . . . . 12 ARG HH1 . 6748 1 144 . 1 1 12 12 ARG HH12 H 1 6.99 0.0015 . . . . . . 12 ARG HH1 . 6748 1 145 . 1 1 12 12 ARG HH21 H 1 6.44 0.0015 . . . . . . 12 ARG HH2 . 6748 1 146 . 1 1 12 12 ARG HH22 H 1 6.44 0.0015 . . . . . . 12 ARG HH2 . 6748 1 147 . 1 1 12 12 ARG CA C 13 59.7000 0.15 . . . . . . 12 ARG CA . 6748 1 148 . 1 1 12 12 ARG CB C 13 29.1000 0.15 . . . . . . 12 ARG CB . 6748 1 149 . 1 1 12 12 ARG CD C 13 43.4000 0.15 . . . . . . 12 ARG CD . 6748 1 150 . 1 1 12 12 ARG N N 15 122.7800 0.15 . . . . . . 12 ARG N . 6748 1 151 . 1 1 12 12 ARG NE N 15 83.4000 0.15 . . . . . . 12 ARG NE . 6748 1 152 . 1 1 13 13 SER H H 1 7.8500 0.0015 . . . . . . 13 SER H . 6748 1 153 . 1 1 13 13 SER HA H 1 4.1400 0.0015 . . . . . . 13 SER HA . 6748 1 154 . 1 1 13 13 SER HB2 H 1 3.81 0.0015 . . . . . . 13 SER HB1 . 6748 1 155 . 1 1 13 13 SER CA C 13 58.3000 0.15 . . . . . . 13 SER CA . 6748 1 156 . 1 1 13 13 SER CB C 13 63.3 0.15 . . . . . . 13 SER CB . 6748 1 157 . 1 1 13 13 SER N N 15 108.5600 0.15 . . . . . . 13 SER N . 6748 1 158 . 1 1 14 14 GLY H H 1 8.1230 0.0015 . . . . . . 14 GLY H . 6748 1 159 . 1 1 14 14 GLY HA2 H 1 3.4350 0.0015 . . . . . . 14 GLY HA1 . 6748 1 160 . 1 1 14 14 GLY HA3 H 1 4.4020 0.0015 . . . . . . 14 GLY HA2 . 6748 1 161 . 1 1 14 14 GLY CA C 13 44.6000 0.15 . . . . . . 14 GLY CA . 6748 1 162 . 1 1 14 14 GLY N N 15 109.4400 0.15 . . . . . . 14 GLY N . 6748 1 163 . 1 1 15 15 VAL H H 1 6.7500 0.0015 . . . . . . 15 VAL H . 6748 1 164 . 1 1 15 15 VAL HA H 1 4.3400 0.0015 . . . . . . 15 VAL HA . 6748 1 165 . 1 1 15 15 VAL HB H 1 2.1600 0.0015 . . . . . . 15 VAL HB . 6748 1 166 . 1 1 15 15 VAL HG11 H 1 0.9500 0.0015 . . . . . . 15 VAL HG1 . 6748 1 167 . 1 1 15 15 VAL HG12 H 1 0.9500 0.0015 . . . . . . 15 VAL HG1 . 6748 1 168 . 1 1 15 15 VAL HG13 H 1 0.9500 0.0015 . . . . . . 15 VAL HG1 . 6748 1 169 . 1 1 15 15 VAL HG21 H 1 0.8240 0.0015 . . . . . . 15 VAL HG2 . 6748 1 170 . 1 1 15 15 VAL HG22 H 1 0.8240 0.0015 . . . . . . 15 VAL HG2 . 6748 1 171 . 1 1 15 15 VAL HG23 H 1 0.8240 0.0015 . . . . . . 15 VAL HG2 . 6748 1 172 . 1 1 15 15 VAL CA C 13 60.1200 0.15 . . . . . . 15 VAL CA . 6748 1 173 . 1 1 15 15 VAL CB C 13 32.7000 0.15 . . . . . . 15 VAL CB . 6748 1 174 . 1 1 15 15 VAL CG1 C 13 20.7500 0.15 . . . . . . 15 VAL CG1 . 6748 1 175 . 1 1 15 15 VAL CG2 C 13 19.1600 0.15 . . . . . . 15 VAL CG2 . 6748 1 176 . 1 1 15 15 VAL N N 15 114.9400 0.15 . . . . . . 15 VAL N . 6748 1 177 . 1 1 16 16 ASP H H 1 8.6750 0.0015 . . . . . . 16 ASP H . 6748 1 178 . 1 1 16 16 ASP HA H 1 4.4500 0.0015 . . . . . . 16 ASP HA . 6748 1 179 . 1 1 16 16 ASP HB2 H 1 2.75 0.0015 . . . . . . 16 ASP HB1 . 6748 1 180 . 1 1 16 16 ASP HB3 H 1 2.65 0.0015 . . . . . . 16 ASP HB2 . 6748 1 181 . 1 1 16 16 ASP CA C 13 56.2400 0.15 . . . . . . 16 ASP CA . 6748 1 182 . 1 1 16 16 ASP CB C 13 40.5 0.15 . . . . . . 16 ASP CB . 6748 1 183 . 1 1 16 16 ASP N N 15 122.9870 0.15 . . . . . . 16 ASP N . 6748 1 184 . 1 1 17 17 GLY H H 1 9.0400 0.0015 . . . . . . 17 GLY H . 6748 1 185 . 1 1 17 17 GLY HA2 H 1 4.4760 0.0015 . . . . . . 17 GLY HA1 . 6748 1 186 . 1 1 17 17 GLY HA3 H 1 3.5570 0.0015 . . . . . . 17 GLY HA2 . 6748 1 187 . 1 1 17 17 GLY CA C 13 43.0000 0.15 . . . . . . 17 GLY CA . 6748 1 188 . 1 1 17 17 GLY N N 15 112.2400 0.15 . . . . . . 17 GLY N . 6748 1 189 . 1 1 18 18 PRO HA H 1 4.4900 0.0015 . . . . . . 18 PRO HA . 6748 1 190 . 1 1 18 18 PRO HB2 H 1 2.4500 0.0015 . . . . . . 18 PRO HB1 . 6748 1 191 . 1 1 18 18 PRO HB3 H 1 1.9400 0.0015 . . . . . . 18 PRO HB2 . 6748 1 192 . 1 1 18 18 PRO HG2 H 1 2.1600 0.0015 . . . . . . 18 PRO HG1 . 6748 1 193 . 1 1 18 18 PRO HG3 H 1 2.1000 0.0015 . . . . . . 18 PRO HG2 . 6748 1 194 . 1 1 18 18 PRO HD2 H 1 3.6400 0.0015 . . . . . . 18 PRO HD . 6748 1 195 . 1 1 18 18 PRO HD3 H 1 3.6400 0.0015 . . . . . . 18 PRO HD . 6748 1 196 . 1 1 18 18 PRO CA C 13 63.1000 0.15 . . . . . . 18 PRO CA . 6748 1 197 . 1 1 18 18 PRO CB C 13 32.8000 0.15 . . . . . . 18 PRO CB . 6748 1 198 . 1 1 18 18 PRO CG C 13 27.3000 0.15 . . . . . . 18 PRO CG . 6748 1 199 . 1 1 18 18 PRO CD C 13 50.3600 0.15 . . . . . . 18 PRO CD . 6748 1 200 . 1 1 19 19 HIS H H 1 8.9750 0.0015 . . . . . . 19 HIS H . 6748 1 201 . 1 1 19 19 HIS HA H 1 5.5700 0.0015 . . . . . . 19 HIS HA . 6748 1 202 . 1 1 19 19 HIS HB2 H 1 3.1300 0.0015 . . . . . . 19 HIS HB1 . 6748 1 203 . 1 1 19 19 HIS HB3 H 1 2.8300 0.0015 . . . . . . 19 HIS HB2 . 6748 1 204 . 1 1 19 19 HIS HD2 H 1 7.1920 0.0015 . . . . . . 19 HIS HD2 . 6748 1 205 . 1 1 19 19 HIS HE1 H 1 7.3610 0.0015 . . . . . . 19 HIS HE1 . 6748 1 206 . 1 1 19 19 HIS CA C 13 54.2100 0.15 . . . . . . 19 HIS CA . 6748 1 207 . 1 1 19 19 HIS CB C 13 33.5500 0.15 . . . . . . 19 HIS CB . 6748 1 208 . 1 1 19 19 HIS CD2 C 13 116.5500 0.15 . . . . . . 19 HIS CD2 . 6748 1 209 . 1 1 19 19 HIS N N 15 122.3300 0.15 . . . . . . 19 HIS N . 6748 1 210 . 1 1 20 20 PHE H H 1 9.6700 0.0015 . . . . . . 20 PHE H . 6748 1 211 . 1 1 20 20 PHE HA H 1 4.8100 0.0015 . . . . . . 20 PHE HA . 6748 1 212 . 1 1 20 20 PHE HB2 H 1 2.8990 0.0015 . . . . . . 20 PHE HB1 . 6748 1 213 . 1 1 20 20 PHE HB3 H 1 2.2100 0.0015 . . . . . . 20 PHE HB2 . 6748 1 214 . 1 1 20 20 PHE HD1 H 1 6.4340 0.0015 . . . . . . 20 PHE HD . 6748 1 215 . 1 1 20 20 PHE HD2 H 1 6.4340 0.0015 . . . . . . 20 PHE HD . 6748 1 216 . 1 1 20 20 PHE HE1 H 1 7.1800 0.0015 . . . . . . 20 PHE HE . 6748 1 217 . 1 1 20 20 PHE HE2 H 1 7.1800 0.0015 . . . . . . 20 PHE HE . 6748 1 218 . 1 1 20 20 PHE HZ H 1 7.2380 0.0015 . . . . . . 20 PHE HZ . 6748 1 219 . 1 1 20 20 PHE CA C 13 54.3000 0.15 . . . . . . 20 PHE CA . 6748 1 220 . 1 1 20 20 PHE CB C 13 41.4000 0.15 . . . . . . 20 PHE CB . 6748 1 221 . 1 1 20 20 PHE CD1 C 13 131.0600 0.15 . . . . . . 20 PHE CD . 6748 1 222 . 1 1 20 20 PHE CD2 C 13 131.0600 0.15 . . . . . . 20 PHE CD . 6748 1 223 . 1 1 20 20 PHE CE1 C 13 130.2000 0.15 . . . . . . 20 PHE CE . 6748 1 224 . 1 1 20 20 PHE CE2 C 13 130.2000 0.15 . . . . . . 20 PHE CE . 6748 1 225 . 1 1 20 20 PHE CZ C 13 130.7000 0.15 . . . . . . 20 PHE CZ . 6748 1 226 . 1 1 20 20 PHE N N 15 123.5500 0.15 . . . . . . 20 PHE N . 6748 1 227 . 1 1 21 21 PRO HA H 1 4.28 0.0015 . . . . . . 21 PRO HA . 6748 1 228 . 1 1 21 21 PRO HB2 H 1 2.02 0.0015 . . . . . . 21 PRO HB1 . 6748 1 229 . 1 1 21 21 PRO HB3 H 1 1.75 0.0015 . . . . . . 21 PRO HB2 . 6748 1 230 . 1 1 21 21 PRO HG2 H 1 1.78 0.0015 . . . . . . 21 PRO HG1 . 6748 1 231 . 1 1 21 21 PRO HG3 H 1 1.93 0.0015 . . . . . . 21 PRO HG2 . 6748 1 232 . 1 1 21 21 PRO HD2 H 1 3.535 0.0015 . . . . . . 21 PRO HD1 . 6748 1 233 . 1 1 21 21 PRO HD3 H 1 3.019 0.0015 . . . . . . 21 PRO HD2 . 6748 1 234 . 1 1 21 21 PRO CA C 13 62.2600 0.15 . . . . . . 21 PRO CA . 6748 1 235 . 1 1 21 21 PRO CB C 13 31.2 0.15 . . . . . . 21 PRO CB . 6748 1 236 . 1 1 21 21 PRO CG C 13 26.7 0.15 . . . . . . 21 PRO CG . 6748 1 237 . 1 1 21 21 PRO CD C 13 50.15 0.15 . . . . . . 21 PRO CD . 6748 1 238 . 1 1 22 22 LEU H H 1 8.1170 0.0015 . . . . . . 22 LEU H . 6748 1 239 . 1 1 22 22 LEU HA H 1 4.8370 0.0015 . . . . . . 22 LEU HA . 6748 1 240 . 1 1 22 22 LEU HB2 H 1 1.5060 0.0015 . . . . . . 22 LEU HB . 6748 1 241 . 1 1 22 22 LEU HB3 H 1 1.5060 0.0015 . . . . . . 22 LEU HB . 6748 1 242 . 1 1 22 22 LEU HG H 1 1.7430 0.0015 . . . . . . 22 LEU HG . 6748 1 243 . 1 1 22 22 LEU HD11 H 1 0.9900 0.0015 . . . . . . 22 LEU HD1 . 6748 1 244 . 1 1 22 22 LEU HD12 H 1 0.9900 0.0015 . . . . . . 22 LEU HD1 . 6748 1 245 . 1 1 22 22 LEU HD13 H 1 0.9900 0.0015 . . . . . . 22 LEU HD1 . 6748 1 246 . 1 1 22 22 LEU HD21 H 1 0.9940 0.0015 . . . . . . 22 LEU HD2 . 6748 1 247 . 1 1 22 22 LEU HD22 H 1 0.9940 0.0015 . . . . . . 22 LEU HD2 . 6748 1 248 . 1 1 22 22 LEU HD23 H 1 0.9940 0.0015 . . . . . . 22 LEU HD2 . 6748 1 249 . 1 1 22 22 LEU CA C 13 52.3800 0.15 . . . . . . 22 LEU CA . 6748 1 250 . 1 1 22 22 LEU CB C 13 40.3000 0.15 . . . . . . 22 LEU CB . 6748 1 251 . 1 1 22 22 LEU CG C 13 26.6000 0.15 . . . . . . 22 LEU CG . 6748 1 252 . 1 1 22 22 LEU CD1 C 13 26.3000 0.15 . . . . . . 22 LEU CD1 . 6748 1 253 . 1 1 22 22 LEU CD2 C 13 23.6000 0.15 . . . . . . 22 LEU CD2 . 6748 1 254 . 1 1 22 22 LEU N N 15 124.9800 0.15 . . . . . . 22 LEU N . 6748 1 255 . 1 1 23 23 SER H H 1 7.8210 0.0015 . . . . . . 23 SER H . 6748 1 256 . 1 1 23 23 SER HA H 1 4.4200 0.0015 . . . . . . 23 SER HA . 6748 1 257 . 1 1 23 23 SER HB2 H 1 3.8200 0.0015 . . . . . . 23 SER HB1 . 6748 1 258 . 1 1 23 23 SER HB3 H 1 3.7000 0.0015 . . . . . . 23 SER HB2 . 6748 1 259 . 1 1 23 23 SER CA C 13 57.9000 0.15 . . . . . . 23 SER CA . 6748 1 260 . 1 1 23 23 SER CB C 13 63.5000 0.15 . . . . . . 23 SER CB . 6748 1 261 . 1 1 23 23 SER N N 15 116.7800 0.15 . . . . . . 23 SER N . 6748 1 262 . 1 1 24 24 LEU H H 1 7.9900 0.0015 . . . . . . 24 LEU H . 6748 1 263 . 1 1 24 24 LEU HA H 1 4.6700 0.0015 . . . . . . 24 LEU HA . 6748 1 264 . 1 1 24 24 LEU HB2 H 1 1.8890 0.0015 . . . . . . 24 LEU HB1 . 6748 1 265 . 1 1 24 24 LEU HB3 H 1 1.8400 0.0015 . . . . . . 24 LEU HB2 . 6748 1 266 . 1 1 24 24 LEU HG H 1 1.6900 0.0015 . . . . . . 24 LEU HG . 6748 1 267 . 1 1 24 24 LEU HD11 H 1 1.0000 0.0015 . . . . . . 24 LEU HD1 . 6748 1 268 . 1 1 24 24 LEU HD12 H 1 1.0000 0.0015 . . . . . . 24 LEU HD1 . 6748 1 269 . 1 1 24 24 LEU HD13 H 1 1.0000 0.0015 . . . . . . 24 LEU HD1 . 6748 1 270 . 1 1 24 24 LEU HD21 H 1 0.9250 0.0015 . . . . . . 24 LEU HD2 . 6748 1 271 . 1 1 24 24 LEU HD22 H 1 0.9250 0.0015 . . . . . . 24 LEU HD2 . 6748 1 272 . 1 1 24 24 LEU HD23 H 1 0.9250 0.0015 . . . . . . 24 LEU HD2 . 6748 1 273 . 1 1 24 24 LEU CA C 13 53.7000 0.15 . . . . . . 24 LEU CA . 6748 1 274 . 1 1 24 24 LEU CB C 13 42.6000 0.15 . . . . . . 24 LEU CB . 6748 1 275 . 1 1 24 24 LEU CG C 13 27.0700 0.15 . . . . . . 24 LEU CG . 6748 1 276 . 1 1 24 24 LEU CD1 C 13 25.3500 0.15 . . . . . . 24 LEU CD1 . 6748 1 277 . 1 1 24 24 LEU CD2 C 13 22.8000 0.15 . . . . . . 24 LEU CD2 . 6748 1 278 . 1 1 24 24 LEU N N 15 121.3100 0.15 . . . . . . 24 LEU N . 6748 1 279 . 1 1 25 25 SER H H 1 8.4300 0.0015 . . . . . . 25 SER H . 6748 1 280 . 1 1 25 25 SER HA H 1 4.3700 0.0015 . . . . . . 25 SER HA . 6748 1 281 . 1 1 25 25 SER HB2 H 1 4.0800 0.0015 . . . . . . 25 SER HB1 . 6748 1 282 . 1 1 25 25 SER HB3 H 1 4.0150 0.0015 . . . . . . 25 SER HB2 . 6748 1 283 . 1 1 25 25 SER CA C 13 59.9000 0.15 . . . . . . 25 SER CA . 6748 1 284 . 1 1 25 25 SER CB C 13 63.4400 0.15 . . . . . . 25 SER CB . 6748 1 285 . 1 1 25 25 SER N N 15 112.8700 0.15 . . . . . . 25 SER N . 6748 1 286 . 1 1 26 26 THR H H 1 7.4080 0.0015 . . . . . . 26 THR H . 6748 1 287 . 1 1 26 26 THR HA H 1 5.2710 0.0015 . . . . . . 26 THR HA . 6748 1 288 . 1 1 26 26 THR HB H 1 3.9160 0.0015 . . . . . . 26 THR HB . 6748 1 289 . 1 1 26 26 THR HG21 H 1 1.2030 0.0015 . . . . . . 26 THR HG2 . 6748 1 290 . 1 1 26 26 THR HG22 H 1 1.2030 0.0015 . . . . . . 26 THR HG2 . 6748 1 291 . 1 1 26 26 THR HG23 H 1 1.2030 0.0015 . . . . . . 26 THR HG2 . 6748 1 292 . 1 1 26 26 THR CA C 13 60.3800 0.15 . . . . . . 26 THR CA . 6748 1 293 . 1 1 26 26 THR CB C 13 71.9600 0.15 . . . . . . 26 THR CB . 6748 1 294 . 1 1 26 26 THR CG2 C 13 22.3000 0.15 . . . . . . 26 THR CG2 . 6748 1 295 . 1 1 26 26 THR N N 15 111.4800 0.15 . . . . . . 26 THR N . 6748 1 296 . 1 1 27 27 CYS H H 1 8.8400 0.0015 . . . . . . 27 CYS H . 6748 1 297 . 1 1 27 27 CYS HA H 1 4.5870 0.0015 . . . . . . 27 CYS HA . 6748 1 298 . 1 1 27 27 CYS HB2 H 1 2.5700 0.0015 . . . . . . 27 CYS HB1 . 6748 1 299 . 1 1 27 27 CYS HB3 H 1 2.4800 0.0015 . . . . . . 27 CYS HB2 . 6748 1 300 . 1 1 27 27 CYS HG H 1 0.6300 0.0015 . . . . . . 27 CYS HG . 6748 1 301 . 1 1 27 27 CYS CA C 13 58.1100 0.15 . . . . . . 27 CYS CA . 6748 1 302 . 1 1 27 27 CYS CB C 13 28.1000 0.15 . . . . . . 27 CYS CB . 6748 1 303 . 1 1 27 27 CYS N N 15 123.3700 0.15 . . . . . . 27 CYS N . 6748 1 304 . 1 1 28 28 LEU H H 1 10.4930 0.0015 . . . . . . 28 LEU H . 6748 1 305 . 1 1 28 28 LEU HA H 1 5.0300 0.0015 . . . . . . 28 LEU HA . 6748 1 306 . 1 1 28 28 LEU HB2 H 1 1.9470 0.0015 . . . . . . 28 LEU HB1 . 6748 1 307 . 1 1 28 28 LEU HB3 H 1 1.6060 0.0015 . . . . . . 28 LEU HB2 . 6748 1 308 . 1 1 28 28 LEU HG H 1 1.7100 0.0015 . . . . . . 28 LEU HG . 6748 1 309 . 1 1 28 28 LEU HD11 H 1 0.9100 0.0015 . . . . . . 28 LEU HD1 . 6748 1 310 . 1 1 28 28 LEU HD12 H 1 0.9100 0.0015 . . . . . . 28 LEU HD1 . 6748 1 311 . 1 1 28 28 LEU HD13 H 1 0.9100 0.0015 . . . . . . 28 LEU HD1 . 6748 1 312 . 1 1 28 28 LEU HD21 H 1 1.1300 0.0015 . . . . . . 28 LEU HD2 . 6748 1 313 . 1 1 28 28 LEU HD22 H 1 1.1300 0.0015 . . . . . . 28 LEU HD2 . 6748 1 314 . 1 1 28 28 LEU HD23 H 1 1.1300 0.0015 . . . . . . 28 LEU HD2 . 6748 1 315 . 1 1 28 28 LEU CA C 13 54.5900 0.15 . . . . . . 28 LEU CA . 6748 1 316 . 1 1 28 28 LEU CB C 13 45.2000 0.15 . . . . . . 28 LEU CB . 6748 1 317 . 1 1 28 28 LEU CG C 13 27.4000 0.15 . . . . . . 28 LEU CG . 6748 1 318 . 1 1 28 28 LEU CD1 C 13 26.3300 0.15 . . . . . . 28 LEU CD1 . 6748 1 319 . 1 1 28 28 LEU CD2 C 13 23.3000 0.15 . . . . . . 28 LEU CD2 . 6748 1 320 . 1 1 28 28 LEU N N 15 133.6000 0.15 . . . . . . 28 LEU N . 6748 1 321 . 1 1 29 29 PHE H H 1 9.4070 0.0015 . . . . . . 29 PHE H . 6748 1 322 . 1 1 29 29 PHE HA H 1 6.0200 0.0015 . . . . . . 29 PHE HA . 6748 1 323 . 1 1 29 29 PHE HB2 H 1 3.5700 0.0015 . . . . . . 29 PHE HB1 . 6748 1 324 . 1 1 29 29 PHE HB3 H 1 2.4570 0.0015 . . . . . . 29 PHE HB2 . 6748 1 325 . 1 1 29 29 PHE HD1 H 1 6.7860 0.0015 . . . . . . 29 PHE HD . 6748 1 326 . 1 1 29 29 PHE HD2 H 1 6.7860 0.0015 . . . . . . 29 PHE HD . 6748 1 327 . 1 1 29 29 PHE HE1 H 1 6.1080 0.0015 . . . . . . 29 PHE HE . 6748 1 328 . 1 1 29 29 PHE HE2 H 1 6.1080 0.0015 . . . . . . 29 PHE HE . 6748 1 329 . 1 1 29 29 PHE HZ H 1 6.6430 0.0015 . . . . . . 29 PHE HZ . 6748 1 330 . 1 1 29 29 PHE CA C 13 54.6000 0.15 . . . . . . 29 PHE CA . 6748 1 331 . 1 1 29 29 PHE CB C 13 42.4800 0.15 . . . . . . 29 PHE CB . 6748 1 332 . 1 1 29 29 PHE CD1 C 13 132.0600 0.15 . . . . . . 29 PHE CD . 6748 1 333 . 1 1 29 29 PHE CD2 C 13 132.0600 0.15 . . . . . . 29 PHE CD . 6748 1 334 . 1 1 29 29 PHE CE1 C 13 129.0600 0.15 . . . . . . 29 PHE CE . 6748 1 335 . 1 1 29 29 PHE CE2 C 13 129.0600 0.15 . . . . . . 29 PHE CE . 6748 1 336 . 1 1 29 29 PHE CZ C 13 128.4000 0.15 . . . . . . 29 PHE CZ . 6748 1 337 . 1 1 29 29 PHE N N 15 123.6500 0.15 . . . . . . 29 PHE N . 6748 1 338 . 1 1 30 30 GLY H H 1 8.6490 0.0015 . . . . . . 30 GLY H . 6748 1 339 . 1 1 30 30 GLY HA2 H 1 4.0490 0.0015 . . . . . . 30 GLY HA1 . 6748 1 340 . 1 1 30 30 GLY HA3 H 1 4.8700 0.0015 . . . . . . 30 GLY HA2 . 6748 1 341 . 1 1 30 30 GLY CA C 13 47.4400 0.15 . . . . . . 30 GLY CA . 6748 1 342 . 1 1 30 30 GLY N N 15 108.5500 0.15 . . . . . . 30 GLY N . 6748 1 343 . 1 1 31 31 ARG H H 1 8.8110 0.0015 . . . . . . 31 ARG H . 6748 1 344 . 1 1 31 31 ARG HA H 1 4.42 0.0015 . . . . . . 31 ARG HA . 6748 1 345 . 1 1 31 31 ARG HB2 H 1 1.69 0.0015 . . . . . . 31 ARG HB1 . 6748 1 346 . 1 1 31 31 ARG HB3 H 1 1.95 0.0015 . . . . . . 31 ARG HB2 . 6748 1 347 . 1 1 31 31 ARG HD2 H 1 3.1300 0.0015 . . . . . . 31 ARG HD1 . 6748 1 348 . 1 1 31 31 ARG HD3 H 1 3.70 0.0015 . . . . . . 31 ARG HD2 . 6748 1 349 . 1 1 31 31 ARG HE H 1 7.44 0.0015 . . . . . . 31 ARG HE . 6748 1 350 . 1 1 31 31 ARG HH11 H 1 6.31 0.0015 . . . . . . 31 ARG HH11 . 6748 1 351 . 1 1 31 31 ARG HH21 H 1 7.22 0.0015 . . . . . . 31 ARG HH21 . 6748 1 352 . 1 1 31 31 ARG CA C 13 55.7 0.15 . . . . . . 31 ARG CA . 6748 1 353 . 1 1 31 31 ARG CB C 13 31.2 0.15 . . . . . . 31 ARG CB . 6748 1 354 . 1 1 31 31 ARG CD C 13 43.3 0.15 . . . . . . 31 ARG CD . 6748 1 355 . 1 1 31 31 ARG N N 15 119.6800 0.15 . . . . . . 31 ARG N . 6748 1 356 . 1 1 31 31 ARG NE N 15 85.2 0.15 . . . . . . 31 ARG NE . 6748 1 357 . 1 1 32 32 GLY H H 1 9.2370 0.0015 . . . . . . 32 GLY H . 6748 1 358 . 1 1 32 32 GLY HA2 H 1 4.2520 0.0015 . . . . . . 32 GLY HA1 . 6748 1 359 . 1 1 32 32 GLY HA3 H 1 3.9310 0.0015 . . . . . . 32 GLY HA2 . 6748 1 360 . 1 1 32 32 GLY CA C 13 45.0000 0.15 . . . . . . 32 GLY CA . 6748 1 361 . 1 1 32 32 GLY N N 15 112.4200 0.15 . . . . . . 32 GLY N . 6748 1 362 . 1 1 33 33 ILE H H 1 8.5780 0.0015 . . . . . . 33 ILE H . 6748 1 363 . 1 1 33 33 ILE HA H 1 3.8400 0.0015 . . . . . . 33 ILE HA . 6748 1 364 . 1 1 33 33 ILE HB H 1 1.9200 0.0015 . . . . . . 33 ILE HB . 6748 1 365 . 1 1 33 33 ILE HG12 H 1 1.4600 0.0015 . . . . . . 33 ILE HG11 . 6748 1 366 . 1 1 33 33 ILE HG13 H 1 1.3500 0.0015 . . . . . . 33 ILE HG12 . 6748 1 367 . 1 1 33 33 ILE HG21 H 1 0.9790 0.0015 . . . . . . 33 ILE HG2 . 6748 1 368 . 1 1 33 33 ILE HG22 H 1 0.9790 0.0015 . . . . . . 33 ILE HG2 . 6748 1 369 . 1 1 33 33 ILE HG23 H 1 0.9790 0.0015 . . . . . . 33 ILE HG2 . 6748 1 370 . 1 1 33 33 ILE HD11 H 1 0.9000 0.0015 . . . . . . 33 ILE HD1 . 6748 1 371 . 1 1 33 33 ILE HD12 H 1 0.9000 0.0015 . . . . . . 33 ILE HD1 . 6748 1 372 . 1 1 33 33 ILE HD13 H 1 0.9000 0.0015 . . . . . . 33 ILE HD1 . 6748 1 373 . 1 1 33 33 ILE CA C 13 63.0000 0.15 . . . . . . 33 ILE CA . 6748 1 374 . 1 1 33 33 ILE CB C 13 38.5000 0.15 . . . . . . 33 ILE CB . 6748 1 375 . 1 1 33 33 ILE CG1 C 13 28.1000 0.15 . . . . . . 33 ILE CG1 . 6748 1 376 . 1 1 33 33 ILE CG2 C 13 17.4800 0.15 . . . . . . 33 ILE CG2 . 6748 1 377 . 1 1 33 33 ILE CD1 C 13 13.7000 0.15 . . . . . . 33 ILE CD1 . 6748 1 378 . 1 1 33 33 ILE N N 15 120.4600 0.15 . . . . . . 33 ILE N . 6748 1 379 . 1 1 34 34 GLU H H 1 10.2200 0.0015 . . . . . . 34 GLU H . 6748 1 380 . 1 1 34 34 GLU HA H 1 4.2740 0.0015 . . . . . . 34 GLU HA . 6748 1 381 . 1 1 34 34 GLU HB2 H 1 1.9800 0.0015 . . . . . . 34 GLU HB1 . 6748 1 382 . 1 1 34 34 GLU HB3 H 1 2.0200 0.0015 . . . . . . 34 GLU HB2 . 6748 1 383 . 1 1 34 34 GLU HG2 H 1 2.2490 0.0015 . . . . . . 34 GLU HG1 . 6748 1 384 . 1 1 34 34 GLU HG3 H 1 2.1640 0.0015 . . . . . . 34 GLU HG2 . 6748 1 385 . 1 1 34 34 GLU CA C 13 56.6400 0.15 . . . . . . 34 GLU CA . 6748 1 386 . 1 1 34 34 GLU CB C 13 28.4000 0.15 . . . . . . 34 GLU CB . 6748 1 387 . 1 1 34 34 GLU CG C 13 35.2000 0.15 . . . . . . 34 GLU CG . 6748 1 388 . 1 1 34 34 GLU N N 15 121.5500 0.15 . . . . . . 34 GLU N . 6748 1 389 . 1 1 35 35 CYS H H 1 7.5500 0.0015 . . . . . . 35 CYS H . 6748 1 390 . 1 1 35 35 CYS HA H 1 3.6970 0.0015 . . . . . . 35 CYS HA . 6748 1 391 . 1 1 35 35 CYS HB2 H 1 2.7600 0.0015 . . . . . . 35 CYS HB1 . 6748 1 392 . 1 1 35 35 CYS HB3 H 1 2.5620 0.0015 . . . . . . 35 CYS HB2 . 6748 1 393 . 1 1 35 35 CYS HG H 1 2.4550 0.0015 . . . . . . 35 CYS HG . 6748 1 394 . 1 1 35 35 CYS CA C 13 61.4000 0.15 . . . . . . 35 CYS CA . 6748 1 395 . 1 1 35 35 CYS CB C 13 27.3000 0.15 . . . . . . 35 CYS CB . 6748 1 396 . 1 1 35 35 CYS N N 15 120.4900 0.15 . . . . . . 35 CYS N . 6748 1 397 . 1 1 36 36 ASP H H 1 8.0100 0.0015 . . . . . . 36 ASP H . 6748 1 398 . 1 1 36 36 ASP HA H 1 4.3630 0.0015 . . . . . . 36 ASP HA . 6748 1 399 . 1 1 36 36 ASP HB2 H 1 2.6870 0.0015 . . . . . . 36 ASP HB1 . 6748 1 400 . 1 1 36 36 ASP HB3 H 1 2.6420 0.0015 . . . . . . 36 ASP HB2 . 6748 1 401 . 1 1 36 36 ASP CA C 13 57.7000 0.15 . . . . . . 36 ASP CA . 6748 1 402 . 1 1 36 36 ASP CB C 13 42.7600 0.15 . . . . . . 36 ASP CB . 6748 1 403 . 1 1 36 36 ASP N N 15 123.0900 0.15 . . . . . . 36 ASP N . 6748 1 404 . 1 1 37 37 ILE H H 1 7.5200 0.0015 . . . . . . 37 ILE H . 6748 1 405 . 1 1 37 37 ILE HA H 1 3.9360 0.0015 . . . . . . 37 ILE HA . 6748 1 406 . 1 1 37 37 ILE HB H 1 0.7100 0.0015 . . . . . . 37 ILE HB . 6748 1 407 . 1 1 37 37 ILE HG12 H 1 0.0180 0.0015 . . . . . . 37 ILE HG11 . 6748 1 408 . 1 1 37 37 ILE HG13 H 1 -0.0190 0.0015 . . . . . . 37 ILE HG12 . 6748 1 409 . 1 1 37 37 ILE HG21 H 1 0.4130 0.0015 . . . . . . 37 ILE HG2 . 6748 1 410 . 1 1 37 37 ILE HG22 H 1 0.4130 0.0015 . . . . . . 37 ILE HG2 . 6748 1 411 . 1 1 37 37 ILE HG23 H 1 0.4130 0.0015 . . . . . . 37 ILE HG2 . 6748 1 412 . 1 1 37 37 ILE HD11 H 1 -0.7080 0.0015 . . . . . . 37 ILE HD1 . 6748 1 413 . 1 1 37 37 ILE HD12 H 1 -0.7080 0.0015 . . . . . . 37 ILE HD1 . 6748 1 414 . 1 1 37 37 ILE HD13 H 1 -0.7080 0.0015 . . . . . . 37 ILE HD1 . 6748 1 415 . 1 1 37 37 ILE CA C 13 61.0000 0.15 . . . . . . 37 ILE CA . 6748 1 416 . 1 1 37 37 ILE CB C 13 37.9000 0.15 . . . . . . 37 ILE CB . 6748 1 417 . 1 1 37 37 ILE CG1 C 13 26.4000 0.15 . . . . . . 37 ILE CG1 . 6748 1 418 . 1 1 37 37 ILE CG2 C 13 17.0400 0.15 . . . . . . 37 ILE CG2 . 6748 1 419 . 1 1 37 37 ILE CD1 C 13 12.5200 0.15 . . . . . . 37 ILE CD1 . 6748 1 420 . 1 1 37 37 ILE N N 15 115.4900 0.15 . . . . . . 37 ILE N . 6748 1 421 . 1 1 38 38 ARG H H 1 8.7900 0.0015 . . . . . . 38 ARG H . 6748 1 422 . 1 1 38 38 ARG HA H 1 5.5980 0.0015 . . . . . . 38 ARG HA . 6748 1 423 . 1 1 38 38 ARG HB2 H 1 1.8200 0.0015 . . . . . . 38 ARG HB1 . 6748 1 424 . 1 1 38 38 ARG HB3 H 1 1.5300 0.0015 . . . . . . 38 ARG HB2 . 6748 1 425 . 1 1 38 38 ARG HG2 H 1 1.2300 0.0015 . . . . . . 38 ARG HG1 . 6748 1 426 . 1 1 38 38 ARG HG3 H 1 1.5800 0.0015 . . . . . . 38 ARG HG2 . 6748 1 427 . 1 1 38 38 ARG HD2 H 1 3.1100 0.0015 . . . . . . 38 ARG HD1 . 6748 1 428 . 1 1 38 38 ARG HD3 H 1 2.9900 0.0015 . . . . . . 38 ARG HD2 . 6748 1 429 . 1 1 38 38 ARG HE H 1 6.7150 0.0015 . . . . . . 38 ARG HE . 6748 1 430 . 1 1 38 38 ARG CA C 13 53.0000 0.15 . . . . . . 38 ARG CA . 6748 1 431 . 1 1 38 38 ARG CB C 13 32.1000 0.15 . . . . . . 38 ARG CB . 6748 1 432 . 1 1 38 38 ARG CG C 13 27.4000 0.15 . . . . . . 38 ARG CG . 6748 1 433 . 1 1 38 38 ARG CD C 13 44.3800 0.15 . . . . . . 38 ARG CD . 6748 1 434 . 1 1 38 38 ARG N N 15 127.7400 0.15 . . . . . . 38 ARG N . 6748 1 435 . 1 1 38 38 ARG NE N 15 83.4000 0.15 . . . . . . 38 ARG NE . 6748 1 436 . 1 1 39 39 ILE H H 1 8.0000 0.0015 . . . . . . 39 ILE H . 6748 1 437 . 1 1 39 39 ILE HA H 1 4.8200 0.0015 . . . . . . 39 ILE HA . 6748 1 438 . 1 1 39 39 ILE HB H 1 1.81 0.0015 . . . . . . 39 ILE HB . 6748 1 439 . 1 1 39 39 ILE HG12 H 1 1.7480 0.0015 . . . . . . 39 ILE HG11 . 6748 1 440 . 1 1 39 39 ILE HG13 H 1 1.06 0.0015 . . . . . . 39 ILE HG12 . 6748 1 441 . 1 1 39 39 ILE HG21 H 1 0.7700 0.0015 . . . . . . 39 ILE HG2 . 6748 1 442 . 1 1 39 39 ILE HG22 H 1 0.7700 0.0015 . . . . . . 39 ILE HG2 . 6748 1 443 . 1 1 39 39 ILE HG23 H 1 0.7700 0.0015 . . . . . . 39 ILE HG2 . 6748 1 444 . 1 1 39 39 ILE HD11 H 1 1.0810 0.0015 . . . . . . 39 ILE HD1 . 6748 1 445 . 1 1 39 39 ILE HD12 H 1 1.0810 0.0015 . . . . . . 39 ILE HD1 . 6748 1 446 . 1 1 39 39 ILE HD13 H 1 1.0810 0.0015 . . . . . . 39 ILE HD1 . 6748 1 447 . 1 1 39 39 ILE CA C 13 59.7000 0.15 . . . . . . 39 ILE CA . 6748 1 448 . 1 1 39 39 ILE CB C 13 39.0 0.15 . . . . . . 39 ILE CB . 6748 1 449 . 1 1 39 39 ILE CG1 C 13 27.4000 0.15 . . . . . . 39 ILE CG1 . 6748 1 450 . 1 1 39 39 ILE CG2 C 13 18.4000 0.15 . . . . . . 39 ILE CG2 . 6748 1 451 . 1 1 39 39 ILE CD1 C 13 16.1000 0.15 . . . . . . 39 ILE CD1 . 6748 1 452 . 1 1 39 39 ILE N N 15 124.8300 0.15 . . . . . . 39 ILE N . 6748 1 453 . 1 1 40 40 GLN H H 1 9.1900 0.0015 . . . . . . 40 GLN H . 6748 1 454 . 1 1 40 40 GLN HA H 1 4.4300 0.0015 . . . . . . 40 GLN HA . 6748 1 455 . 1 1 40 40 GLN HB2 H 1 2.1050 0.0015 . . . . . . 40 GLN HB1 . 6748 1 456 . 1 1 40 40 GLN HB3 H 1 2.0700 0.0015 . . . . . . 40 GLN HB2 . 6748 1 457 . 1 1 40 40 GLN HG2 H 1 2.3400 0.0015 . . . . . . 40 GLN HG1 . 6748 1 458 . 1 1 40 40 GLN HG3 H 1 1.9700 0.0015 . . . . . . 40 GLN HG2 . 6748 1 459 . 1 1 40 40 GLN HE21 H 1 6.8900 0.0015 . . . . . . 40 GLN HE21 . 6748 1 460 . 1 1 40 40 GLN HE22 H 1 7.1300 0.0015 . . . . . . 40 GLN HE22 . 6748 1 461 . 1 1 40 40 GLN CA C 13 55.2700 0.15 . . . . . . 40 GLN CA . 6748 1 462 . 1 1 40 40 GLN CB C 13 28.1000 0.15 . . . . . . 40 GLN CB . 6748 1 463 . 1 1 40 40 GLN CG C 13 34.8000 0.15 . . . . . . 40 GLN CG . 6748 1 464 . 1 1 40 40 GLN N N 15 124.8200 0.15 . . . . . . 40 GLN N . 6748 1 465 . 1 1 40 40 GLN NE2 N 15 110.5500 0.15 . . . . . . 40 GLN NE2 . 6748 1 466 . 1 1 41 41 LEU H H 1 7.8760 0.0015 . . . . . . 41 LEU H . 6748 1 467 . 1 1 41 41 LEU HA H 1 5.0800 0.0015 . . . . . . 41 LEU HA . 6748 1 468 . 1 1 41 41 LEU HB2 H 1 1.6300 0.0015 . . . . . . 41 LEU HB1 . 6748 1 469 . 1 1 41 41 LEU HB3 H 1 1.2600 0.0015 . . . . . . 41 LEU HB2 . 6748 1 470 . 1 1 41 41 LEU HG H 1 1.510 0.0015 . . . . . . 41 LEU HG . 6748 1 471 . 1 1 41 41 LEU HD11 H 1 1.1080 0.0015 . . . . . . 41 LEU HD1 . 6748 1 472 . 1 1 41 41 LEU HD12 H 1 1.1080 0.0015 . . . . . . 41 LEU HD1 . 6748 1 473 . 1 1 41 41 LEU HD13 H 1 1.1080 0.0015 . . . . . . 41 LEU HD1 . 6748 1 474 . 1 1 41 41 LEU HD21 H 1 0.8300 0.0015 . . . . . . 41 LEU HD2 . 6748 1 475 . 1 1 41 41 LEU HD22 H 1 0.8300 0.0015 . . . . . . 41 LEU HD2 . 6748 1 476 . 1 1 41 41 LEU HD23 H 1 0.8300 0.0015 . . . . . . 41 LEU HD2 . 6748 1 477 . 1 1 41 41 LEU CA C 13 51.0400 0.15 . . . . . . 41 LEU CA . 6748 1 478 . 1 1 41 41 LEU CB C 13 46.4000 0.15 . . . . . . 41 LEU CB . 6748 1 479 . 1 1 41 41 LEU CG C 13 27.0 0.15 . . . . . . 41 LEU CG . 6748 1 480 . 1 1 41 41 LEU CD1 C 13 23.4000 0.15 . . . . . . 41 LEU CD1 . 6748 1 481 . 1 1 41 41 LEU CD2 C 13 24.5000 0.15 . . . . . . 41 LEU CD2 . 6748 1 482 . 1 1 41 41 LEU N N 15 120.5100 0.15 . . . . . . 41 LEU N . 6748 1 483 . 1 1 42 42 PRO HA H 1 4.2030 0.0015 . . . . . . 42 PRO HA . 6748 1 484 . 1 1 42 42 PRO HB2 H 1 2.4070 0.0015 . . . . . . 42 PRO HB1 . 6748 1 485 . 1 1 42 42 PRO HB3 H 1 1.8710 0.0015 . . . . . . 42 PRO HB2 . 6748 1 486 . 1 1 42 42 PRO HG2 H 1 2.1900 0.0015 . . . . . . 42 PRO HG1 . 6748 1 487 . 1 1 42 42 PRO HG3 H 1 2.0050 0.0015 . . . . . . 42 PRO HG2 . 6748 1 488 . 1 1 42 42 PRO HD2 H 1 3.9420 0.0015 . . . . . . 42 PRO HD1 . 6748 1 489 . 1 1 42 42 PRO HD3 H 1 3.7770 0.0015 . . . . . . 42 PRO HD2 . 6748 1 490 . 1 1 42 42 PRO CA C 13 64.5200 0.15 . . . . . . 42 PRO CA . 6748 1 491 . 1 1 42 42 PRO CB C 13 32.2000 0.15 . . . . . . 42 PRO CB . 6748 1 492 . 1 1 42 42 PRO CG C 13 27.4500 0.15 . . . . . . 42 PRO CG . 6748 1 493 . 1 1 42 42 PRO CD C 13 50.5300 0.15 . . . . . . 42 PRO CD . 6748 1 494 . 1 1 43 43 VAL H H 1 5.7190 0.0015 . . . . . . 43 VAL H . 6748 1 495 . 1 1 43 43 VAL HA H 1 4.0440 0.0015 . . . . . . 43 VAL HA . 6748 1 496 . 1 1 43 43 VAL HB H 1 2.24 0.0015 . . . . . . 43 VAL HB . 6748 1 497 . 1 1 43 43 VAL HG11 H 1 0.4500 0.0015 . . . . . . 43 VAL HG1 . 6748 1 498 . 1 1 43 43 VAL HG12 H 1 0.4500 0.0015 . . . . . . 43 VAL HG1 . 6748 1 499 . 1 1 43 43 VAL HG13 H 1 0.4500 0.0015 . . . . . . 43 VAL HG1 . 6748 1 500 . 1 1 43 43 VAL HG21 H 1 0.4670 0.0015 . . . . . . 43 VAL HG2 . 6748 1 501 . 1 1 43 43 VAL HG22 H 1 0.4670 0.0015 . . . . . . 43 VAL HG2 . 6748 1 502 . 1 1 43 43 VAL HG23 H 1 0.4670 0.0015 . . . . . . 43 VAL HG2 . 6748 1 503 . 1 1 43 43 VAL CA C 13 59.8000 0.15 . . . . . . 43 VAL CA . 6748 1 504 . 1 1 43 43 VAL CB C 13 31.000 0.15 . . . . . . 43 VAL CB . 6748 1 505 . 1 1 43 43 VAL CG1 C 13 20.9900 0.15 . . . . . . 43 VAL CG1 . 6748 1 506 . 1 1 43 43 VAL CG2 C 13 19.9300 0.15 . . . . . . 43 VAL CG2 . 6748 1 507 . 1 1 43 43 VAL N N 15 97.9500 0.15 . . . . . . 43 VAL N . 6748 1 508 . 1 1 44 44 VAL H H 1 7.2100 0.0015 . . . . . . 44 VAL H . 6748 1 509 . 1 1 44 44 VAL HA H 1 4.0200 0.0015 . . . . . . 44 VAL HA . 6748 1 510 . 1 1 44 44 VAL HB H 1 2.29 0.0015 . . . . . . 44 VAL HB . 6748 1 511 . 1 1 44 44 VAL HG11 H 1 0.8210 0.0015 . . . . . . 44 VAL HG1 . 6748 1 512 . 1 1 44 44 VAL HG12 H 1 0.8210 0.0015 . . . . . . 44 VAL HG1 . 6748 1 513 . 1 1 44 44 VAL HG13 H 1 0.8210 0.0015 . . . . . . 44 VAL HG1 . 6748 1 514 . 1 1 44 44 VAL HG21 H 1 1.2780 0.0015 . . . . . . 44 VAL HG2 . 6748 1 515 . 1 1 44 44 VAL HG22 H 1 1.2780 0.0015 . . . . . . 44 VAL HG2 . 6748 1 516 . 1 1 44 44 VAL HG23 H 1 1.2780 0.0015 . . . . . . 44 VAL HG2 . 6748 1 517 . 1 1 44 44 VAL CA C 13 61.8000 0.15 . . . . . . 44 VAL CA . 6748 1 518 . 1 1 44 44 VAL CB C 13 31.7 0.15 . . . . . . 44 VAL CB . 6748 1 519 . 1 1 44 44 VAL CG1 C 13 24.7000 0.15 . . . . . . 44 VAL CG1 . 6748 1 520 . 1 1 44 44 VAL CG2 C 13 21.2600 0.15 . . . . . . 44 VAL CG2 . 6748 1 521 . 1 1 44 44 VAL N N 15 122.8600 0.15 . . . . . . 44 VAL N . 6748 1 522 . 1 1 45 45 SER H H 1 11.3720 0.0015 . . . . . . 45 SER H . 6748 1 523 . 1 1 45 45 SER HA H 1 4.6900 0.0015 . . . . . . 45 SER HA . 6748 1 524 . 1 1 45 45 SER HB2 H 1 4.0200 0.0015 . . . . . . 45 SER HB1 . 6748 1 525 . 1 1 45 45 SER HB3 H 1 3.6200 0.0015 . . . . . . 45 SER HB2 . 6748 1 526 . 1 1 45 45 SER CA C 13 61.6000 0.15 . . . . . . 45 SER CA . 6748 1 527 . 1 1 45 45 SER CB C 13 64.0600 0.15 . . . . . . 45 SER CB . 6748 1 528 . 1 1 45 45 SER N N 15 128.4000 0.15 . . . . . . 45 SER N . 6748 1 529 . 1 1 46 46 LYS H H 1 9.8950 0.0015 . . . . . . 46 LYS H . 6748 1 530 . 1 1 46 46 LYS HA H 1 3.7200 0.0015 . . . . . . 46 LYS HA . 6748 1 531 . 1 1 46 46 LYS HG2 H 1 1.4400 0.0015 . . . . . . 46 LYS HG . 6748 1 532 . 1 1 46 46 LYS HG3 H 1 1.4400 0.0015 . . . . . . 46 LYS HG . 6748 1 533 . 1 1 46 46 LYS HE2 H 1 2.9750 0.0015 . . . . . . 46 LYS HE . 6748 1 534 . 1 1 46 46 LYS HE3 H 1 2.9750 0.0015 . . . . . . 46 LYS HE . 6748 1 535 . 1 1 46 46 LYS CA C 13 61.7600 0.15 . . . . . . 46 LYS CA . 6748 1 536 . 1 1 46 46 LYS CG C 13 24.6000 0.15 . . . . . . 46 LYS CG . 6748 1 537 . 1 1 46 46 LYS N N 15 127.0200 0.15 . . . . . . 46 LYS N . 6748 1 538 . 1 1 47 47 GLN H H 1 7.7950 0.0015 . . . . . . 47 GLN H . 6748 1 539 . 1 1 47 47 GLN HA H 1 4.4140 0.0015 . . . . . . 47 GLN HA . 6748 1 540 . 1 1 47 47 GLN HB2 H 1 1.9000 0.0015 . . . . . . 47 GLN HB1 . 6748 1 541 . 1 1 47 47 GLN HB3 H 1 1.8570 0.0015 . . . . . . 47 GLN HB2 . 6748 1 542 . 1 1 47 47 GLN HG2 H 1 2.3500 0.0015 . . . . . . 47 GLN HG1 . 6748 1 543 . 1 1 47 47 GLN HG3 H 1 2.1800 0.0015 . . . . . . 47 GLN HG2 . 6748 1 544 . 1 1 47 47 GLN HE21 H 1 8.0920 0.0015 . . . . . . 47 GLN HE21 . 6748 1 545 . 1 1 47 47 GLN HE22 H 1 6.5280 0.0015 . . . . . . 47 GLN HE22 . 6748 1 546 . 1 1 47 47 GLN CA C 13 56.3000 0.15 . . . . . . 47 GLN CA . 6748 1 547 . 1 1 47 47 GLN CB C 13 29.4000 0.15 . . . . . . 47 GLN CB . 6748 1 548 . 1 1 47 47 GLN CG C 13 33.1400 0.15 . . . . . . 47 GLN CG . 6748 1 549 . 1 1 47 47 GLN N N 15 111.8000 0.15 . . . . . . 47 GLN N . 6748 1 550 . 1 1 47 47 GLN NE2 N 15 110.9800 0.15 . . . . . . 47 GLN NE2 . 6748 1 551 . 1 1 48 48 HIS H H 1 10.0300 0.0015 . . . . . . 48 HIS H . 6748 1 552 . 1 1 48 48 HIS HA H 1 4.3900 0.0015 . . . . . . 48 HIS HA . 6748 1 553 . 1 1 48 48 HIS HB2 H 1 3.2900 0.0015 . . . . . . 48 HIS HB1 . 6748 1 554 . 1 1 48 48 HIS HB3 H 1 3.1500 0.0015 . . . . . . 48 HIS HB2 . 6748 1 555 . 1 1 48 48 HIS HD2 H 1 7.2910 0.0015 . . . . . . 48 HIS HD2 . 6748 1 556 . 1 1 48 48 HIS HE1 H 1 8.0250 0.0015 . . . . . . 48 HIS HE1 . 6748 1 557 . 1 1 48 48 HIS HE2 H 1 10.4330 0.0015 . . . . . . 48 HIS HE2 . 6748 1 558 . 1 1 48 48 HIS CA C 13 59.4000 0.15 . . . . . . 48 HIS CA . 6748 1 559 . 1 1 48 48 HIS CB C 13 35.4000 0.15 . . . . . . 48 HIS CB . 6748 1 560 . 1 1 48 48 HIS CD2 C 13 117.5600 0.15 . . . . . . 48 HIS CD2 . 6748 1 561 . 1 1 48 48 HIS N N 15 125.5800 0.15 . . . . . . 48 HIS N . 6748 1 562 . 1 1 48 48 HIS NE2 N 15 163.0800 0.15 . . . . . . 48 HIS NE2 . 6748 1 563 . 1 1 49 49 CYS H H 1 8.4340 0.0015 . . . . . . 49 CYS H . 6748 1 564 . 1 1 49 49 CYS HA H 1 4.6660 0.0015 . . . . . . 49 CYS HA . 6748 1 565 . 1 1 49 49 CYS HB2 H 1 3.0600 0.0015 . . . . . . 49 CYS HB1 . 6748 1 566 . 1 1 49 49 CYS HB3 H 1 3.4900 0.0015 . . . . . . 49 CYS HB2 . 6748 1 567 . 1 1 49 49 CYS HG H 1 0.5900 0.0015 . . . . . . 49 CYS HG . 6748 1 568 . 1 1 49 49 CYS CA C 13 56.1600 0.15 . . . . . . 49 CYS CA . 6748 1 569 . 1 1 49 49 CYS CB C 13 29.8000 0.15 . . . . . . 49 CYS CB . 6748 1 570 . 1 1 49 49 CYS N N 15 110.8700 0.15 . . . . . . 49 CYS N . 6748 1 571 . 1 1 50 50 LYS H H 1 8.8190 0.0015 . . . . . . 50 LYS H . 6748 1 572 . 1 1 50 50 LYS HA H 1 5.8590 0.0015 . . . . . . 50 LYS HA . 6748 1 573 . 1 1 50 50 LYS HB2 H 1 1.73 0.0015 . . . . . . 50 LYS HB1 . 6748 1 574 . 1 1 50 50 LYS HG2 H 1 1.1700 0.0015 . . . . . . 50 LYS HG . 6748 1 575 . 1 1 50 50 LYS HG3 H 1 1.1700 0.0015 . . . . . . 50 LYS HG . 6748 1 576 . 1 1 50 50 LYS HD2 H 1 1.7300 0.0015 . . . . . . 50 LYS HD1 . 6748 1 577 . 1 1 50 50 LYS HD3 H 1 1.6700 0.0015 . . . . . . 50 LYS HD2 . 6748 1 578 . 1 1 50 50 LYS HE2 H 1 2.6420 0.0015 . . . . . . 50 LYS HE1 . 6748 1 579 . 1 1 50 50 LYS HE3 H 1 2.3990 0.0015 . . . . . . 50 LYS HE2 . 6748 1 580 . 1 1 50 50 LYS CA C 13 54.4000 0.15 . . . . . . 50 LYS CA . 6748 1 581 . 1 1 50 50 LYS CB C 13 38.0000 0.15 . . . . . . 50 LYS CB . 6748 1 582 . 1 1 50 50 LYS CG C 13 24.7000 0.15 . . . . . . 50 LYS CG . 6748 1 583 . 1 1 50 50 LYS CD C 13 29.8000 0.15 . . . . . . 50 LYS CD . 6748 1 584 . 1 1 50 50 LYS CE C 13 41.6000 0.15 . . . . . . 50 LYS CE . 6748 1 585 . 1 1 50 50 LYS N N 15 118.0500 0.15 . . . . . . 50 LYS N . 6748 1 586 . 1 1 51 51 ILE H H 1 9.3760 0.0015 . . . . . . 51 ILE H . 6748 1 587 . 1 1 51 51 ILE HA H 1 5.1100 0.0015 . . . . . . 51 ILE HA . 6748 1 588 . 1 1 51 51 ILE HB H 1 1.5700 0.0015 . . . . . . 51 ILE HB . 6748 1 589 . 1 1 51 51 ILE HG12 H 1 1.8890 0.0015 . . . . . . 51 ILE HG11 . 6748 1 590 . 1 1 51 51 ILE HG13 H 1 0.81 0.0015 . . . . . . 51 ILE HG12 . 6748 1 591 . 1 1 51 51 ILE HG21 H 1 0.7120 0.0015 . . . . . . 51 ILE HG2 . 6748 1 592 . 1 1 51 51 ILE HG22 H 1 0.7120 0.0015 . . . . . . 51 ILE HG2 . 6748 1 593 . 1 1 51 51 ILE HG23 H 1 0.7120 0.0015 . . . . . . 51 ILE HG2 . 6748 1 594 . 1 1 51 51 ILE HD11 H 1 0.9470 0.0015 . . . . . . 51 ILE HD1 . 6748 1 595 . 1 1 51 51 ILE HD12 H 1 0.9470 0.0015 . . . . . . 51 ILE HD1 . 6748 1 596 . 1 1 51 51 ILE HD13 H 1 0.9470 0.0015 . . . . . . 51 ILE HD1 . 6748 1 597 . 1 1 51 51 ILE CA C 13 59.8700 0.15 . . . . . . 51 ILE CA . 6748 1 598 . 1 1 51 51 ILE CB C 13 41.1000 0.15 . . . . . . 51 ILE CB . 6748 1 599 . 1 1 51 51 ILE CG1 C 13 29.6 0.15 . . . . . . 51 ILE CG1 . 6748 1 600 . 1 1 51 51 ILE CG2 C 13 17.6400 0.15 . . . . . . 51 ILE CG2 . 6748 1 601 . 1 1 51 51 ILE CD1 C 13 14.9000 0.15 . . . . . . 51 ILE CD1 . 6748 1 602 . 1 1 51 51 ILE N N 15 123.4100 0.15 . . . . . . 51 ILE N . 6748 1 603 . 1 1 52 52 GLU H H 1 9.5000 0.0015 . . . . . . 52 GLU H . 6748 1 604 . 1 1 52 52 GLU HA H 1 5.0980 0.0015 . . . . . . 52 GLU HA . 6748 1 605 . 1 1 52 52 GLU HB2 H 1 2.0800 0.0015 . . . . . . 52 GLU HB1 . 6748 1 606 . 1 1 52 52 GLU HB3 H 1 1.9450 0.0015 . . . . . . 52 GLU HB2 . 6748 1 607 . 1 1 52 52 GLU HG2 H 1 2.19 0.0015 . . . . . . 52 GLU HG1 . 6748 1 608 . 1 1 52 52 GLU HG3 H 1 2.09 0.0015 . . . . . . 52 GLU HG2 . 6748 1 609 . 1 1 52 52 GLU CA C 13 54.1500 0.15 . . . . . . 52 GLU CA . 6748 1 610 . 1 1 52 52 GLU CB C 13 32.8000 0.15 . . . . . . 52 GLU CB . 6748 1 611 . 1 1 52 52 GLU CG C 13 35.8000 0.15 . . . . . . 52 GLU CG . 6748 1 612 . 1 1 52 52 GLU N N 15 127.0300 0.15 . . . . . . 52 GLU N . 6748 1 613 . 1 1 53 53 ILE H H 1 8.8560 0.0015 . . . . . . 53 ILE H . 6748 1 614 . 1 1 53 53 ILE HA H 1 4.8200 0.0015 . . . . . . 53 ILE HA . 6748 1 615 . 1 1 53 53 ILE HB H 1 1.9350 0.0015 . . . . . . 53 ILE HB . 6748 1 616 . 1 1 53 53 ILE HG12 H 1 1.1790 0.0015 . . . . . . 53 ILE HG11 . 6748 1 617 . 1 1 53 53 ILE HG13 H 1 1.4330 0.0015 . . . . . . 53 ILE HG12 . 6748 1 618 . 1 1 53 53 ILE HG21 H 1 0.7500 0.0015 . . . . . . 53 ILE HG2 . 6748 1 619 . 1 1 53 53 ILE HG22 H 1 0.7500 0.0015 . . . . . . 53 ILE HG2 . 6748 1 620 . 1 1 53 53 ILE HG23 H 1 0.7500 0.0015 . . . . . . 53 ILE HG2 . 6748 1 621 . 1 1 53 53 ILE HD11 H 1 0.7500 0.0015 . . . . . . 53 ILE HD1 . 6748 1 622 . 1 1 53 53 ILE HD12 H 1 0.7500 0.0015 . . . . . . 53 ILE HD1 . 6748 1 623 . 1 1 53 53 ILE HD13 H 1 0.7500 0.0015 . . . . . . 53 ILE HD1 . 6748 1 624 . 1 1 53 53 ILE CA C 13 59.5900 0.15 . . . . . . 53 ILE CA . 6748 1 625 . 1 1 53 53 ILE CB C 13 36.8000 0.15 . . . . . . 53 ILE CB . 6748 1 626 . 1 1 53 53 ILE CG1 C 13 27.5000 0.15 . . . . . . 53 ILE CG1 . 6748 1 627 . 1 1 53 53 ILE CG2 C 13 17.5000 0.15 . . . . . . 53 ILE CG2 . 6748 1 628 . 1 1 53 53 ILE CD1 C 13 12.2300 0.15 . . . . . . 53 ILE CD1 . 6748 1 629 . 1 1 53 53 ILE N N 15 124.9900 0.15 . . . . . . 53 ILE N . 6748 1 630 . 1 1 54 54 HIS H H 1 8.8500 0.0015 . . . . . . 54 HIS H . 6748 1 631 . 1 1 54 54 HIS HA H 1 4.8300 0.0015 . . . . . . 54 HIS HA . 6748 1 632 . 1 1 54 54 HIS HB2 H 1 3.1520 0.0015 . . . . . . 54 HIS HB1 . 6748 1 633 . 1 1 54 54 HIS HB3 H 1 2.9700 0.0015 . . . . . . 54 HIS HB2 . 6748 1 634 . 1 1 54 54 HIS HD2 H 1 6.9560 0.0015 . . . . . . 54 HIS HD2 . 6748 1 635 . 1 1 54 54 HIS HE1 H 1 7.9420 0.0015 . . . . . . 54 HIS HE1 . 6748 1 636 . 1 1 54 54 HIS CA C 13 54.8600 0.15 . . . . . . 54 HIS CA . 6748 1 637 . 1 1 54 54 HIS CB C 13 32.2000 0.15 . . . . . . 54 HIS CB . 6748 1 638 . 1 1 54 54 HIS CD2 C 13 118.8800 0.15 . . . . . . 54 HIS CD2 . 6748 1 639 . 1 1 54 54 HIS N N 15 127.8300 0.15 . . . . . . 54 HIS N . 6748 1 640 . 1 1 55 55 GLU H H 1 9.19 0.0015 . . . . . . 55 GLU H . 6748 1 641 . 1 1 55 55 GLU HA H 1 3.55 0.0015 . . . . . . 55 GLU HA . 6748 1 642 . 1 1 55 55 GLU HG2 H 1 2.01 0.0015 . . . . . . 55 GLU HG1 . 6748 1 643 . 1 1 55 55 GLU CA C 13 58.3 0.15 . . . . . . 55 GLU CA . 6748 1 644 . 1 1 55 55 GLU CG C 13 35.8 0.15 . . . . . . 55 GLU CG . 6748 1 645 . 1 1 55 55 GLU N N 15 124.3 0.15 . . . . . . 55 GLU N . 6748 1 646 . 1 1 56 56 GLN H H 1 8.55 0.0015 . . . . . . 56 GLN H . 6748 1 647 . 1 1 56 56 GLN HA H 1 4.10 0.0015 . . . . . . 56 GLN HA . 6748 1 648 . 1 1 56 56 GLN HB2 H 1 2.30 0.0015 . . . . . . 56 GLN HB1 . 6748 1 649 . 1 1 56 56 GLN HB3 H 1 2.11 0.0015 . . . . . . 56 GLN HB2 . 6748 1 650 . 1 1 56 56 GLN HG2 H 1 2.32 0.0015 . . . . . . 56 GLN HG1 . 6748 1 651 . 1 1 56 56 GLN HG3 H 1 2.28 0.0015 . . . . . . 56 GLN HG2 . 6748 1 652 . 1 1 56 56 GLN CA C 13 56.16 0.15 . . . . . . 56 GLN CA . 6748 1 653 . 1 1 56 56 GLN CB C 13 28.1 0.15 . . . . . . 56 GLN CB . 6748 1 654 . 1 1 56 56 GLN CG C 13 33.5 0.15 . . . . . . 56 GLN CG . 6748 1 655 . 1 1 56 56 GLN N N 15 112.8500 0.15 . . . . . . 56 GLN N . 6748 1 656 . 1 1 57 57 GLU H H 1 7.9300 0.0015 . . . . . . 57 GLU H . 6748 1 657 . 1 1 57 57 GLU HA H 1 4.5900 0.0015 . . . . . . 57 GLU HA . 6748 1 658 . 1 1 57 57 GLU HB2 H 1 1.9800 0.0015 . . . . . . 57 GLU HB . 6748 1 659 . 1 1 57 57 GLU HB3 H 1 1.9800 0.0015 . . . . . . 57 GLU HB . 6748 1 660 . 1 1 57 57 GLU HG2 H 1 2.2500 0.0015 . . . . . . 57 GLU HG . 6748 1 661 . 1 1 57 57 GLU HG3 H 1 2.2500 0.0015 . . . . . . 57 GLU HG . 6748 1 662 . 1 1 57 57 GLU CA C 13 54.8300 0.15 . . . . . . 57 GLU CA . 6748 1 663 . 1 1 57 57 GLU CB C 13 32.3000 0.15 . . . . . . 57 GLU CB . 6748 1 664 . 1 1 57 57 GLU CG C 13 35.2000 0.15 . . . . . . 57 GLU CG . 6748 1 665 . 1 1 57 57 GLU N N 15 118.7900 0.15 . . . . . . 57 GLU N . 6748 1 666 . 1 1 58 58 ALA H H 1 8.9860 0.0015 . . . . . . 58 ALA H . 6748 1 667 . 1 1 58 58 ALA HA H 1 4.9900 0.0015 . . . . . . 58 ALA HA . 6748 1 668 . 1 1 58 58 ALA HB1 H 1 1.0200 0.0015 . . . . . . 58 ALA HB . 6748 1 669 . 1 1 58 58 ALA HB2 H 1 1.0200 0.0015 . . . . . . 58 ALA HB . 6748 1 670 . 1 1 58 58 ALA HB3 H 1 1.0200 0.0015 . . . . . . 58 ALA HB . 6748 1 671 . 1 1 58 58 ALA CA C 13 50.5000 0.15 . . . . . . 58 ALA CA . 6748 1 672 . 1 1 58 58 ALA CB C 13 21.0000 0.15 . . . . . . 58 ALA CB . 6748 1 673 . 1 1 58 58 ALA N N 15 124.8500 0.15 . . . . . . 58 ALA N . 6748 1 674 . 1 1 59 59 ILE H H 1 9.0430 0.0015 . . . . . . 59 ILE H . 6748 1 675 . 1 1 59 59 ILE HA H 1 4.6400 0.0015 . . . . . . 59 ILE HA . 6748 1 676 . 1 1 59 59 ILE HB H 1 1.9600 0.0015 . . . . . . 59 ILE HB . 6748 1 677 . 1 1 59 59 ILE HG12 H 1 1.4300 0.0015 . . . . . . 59 ILE HG11 . 6748 1 678 . 1 1 59 59 ILE HG13 H 1 1.0950 0.0015 . . . . . . 59 ILE HG12 . 6748 1 679 . 1 1 59 59 ILE HG21 H 1 0.4230 0.0015 . . . . . . 59 ILE HG2 . 6748 1 680 . 1 1 59 59 ILE HG22 H 1 0.4230 0.0015 . . . . . . 59 ILE HG2 . 6748 1 681 . 1 1 59 59 ILE HG23 H 1 0.4230 0.0015 . . . . . . 59 ILE HG2 . 6748 1 682 . 1 1 59 59 ILE HD11 H 1 0.7310 0.0015 . . . . . . 59 ILE HD1 . 6748 1 683 . 1 1 59 59 ILE HD12 H 1 0.7310 0.0015 . . . . . . 59 ILE HD1 . 6748 1 684 . 1 1 59 59 ILE HD13 H 1 0.7310 0.0015 . . . . . . 59 ILE HD1 . 6748 1 685 . 1 1 59 59 ILE CA C 13 58.9000 0.15 . . . . . . 59 ILE CA . 6748 1 686 . 1 1 59 59 ILE CB C 13 39.4000 0.15 . . . . . . 59 ILE CB . 6748 1 687 . 1 1 59 59 ILE CG1 C 13 27.7000 0.15 . . . . . . 59 ILE CG1 . 6748 1 688 . 1 1 59 59 ILE CG2 C 13 17.7900 0.15 . . . . . . 59 ILE CG2 . 6748 1 689 . 1 1 59 59 ILE CD1 C 13 11.9000 0.15 . . . . . . 59 ILE CD1 . 6748 1 690 . 1 1 59 59 ILE N N 15 123.3700 0.15 . . . . . . 59 ILE N . 6748 1 691 . 1 1 60 60 LEU H H 1 9.2710 0.0015 . . . . . . 60 LEU H . 6748 1 692 . 1 1 60 60 LEU HA H 1 5.0580 0.0015 . . . . . . 60 LEU HA . 6748 1 693 . 1 1 60 60 LEU HB2 H 1 1.7450 0.0015 . . . . . . 60 LEU HB1 . 6748 1 694 . 1 1 60 60 LEU HB3 H 1 1.0300 0.0015 . . . . . . 60 LEU HB2 . 6748 1 695 . 1 1 60 60 LEU HG H 1 1.23 0.0015 . . . . . . 60 LEU HG . 6748 1 696 . 1 1 60 60 LEU HD11 H 1 0.6410 0.0015 . . . . . . 60 LEU HD1 . 6748 1 697 . 1 1 60 60 LEU HD12 H 1 0.6410 0.0015 . . . . . . 60 LEU HD1 . 6748 1 698 . 1 1 60 60 LEU HD13 H 1 0.6410 0.0015 . . . . . . 60 LEU HD1 . 6748 1 699 . 1 1 60 60 LEU HD21 H 1 0.7080 0.0015 . . . . . . 60 LEU HD2 . 6748 1 700 . 1 1 60 60 LEU HD22 H 1 0.7080 0.0015 . . . . . . 60 LEU HD2 . 6748 1 701 . 1 1 60 60 LEU HD23 H 1 0.7080 0.0015 . . . . . . 60 LEU HD2 . 6748 1 702 . 1 1 60 60 LEU CA C 13 53.2000 0.15 . . . . . . 60 LEU CA . 6748 1 703 . 1 1 60 60 LEU CB C 13 44.4000 0.15 . . . . . . 60 LEU CB . 6748 1 704 . 1 1 60 60 LEU CG C 13 27.5 0.15 . . . . . . 60 LEU CG . 6748 1 705 . 1 1 60 60 LEU CD1 C 13 27.8000 0.15 . . . . . . 60 LEU CD1 . 6748 1 706 . 1 1 60 60 LEU CD2 C 13 24.4000 0.15 . . . . . . 60 LEU CD2 . 6748 1 707 . 1 1 60 60 LEU N N 15 129.4300 0.15 . . . . . . 60 LEU N . 6748 1 708 . 1 1 61 61 HIS H H 1 9.1620 0.0015 . . . . . . 61 HIS H . 6748 1 709 . 1 1 61 61 HIS HA H 1 4.5670 0.0015 . . . . . . 61 HIS HA . 6748 1 710 . 1 1 61 61 HIS HB2 H 1 2.677 0.0015 . . . . . . 61 HIS HB1 . 6748 1 711 . 1 1 61 61 HIS HB3 H 1 2.587 0.0015 . . . . . . 61 HIS HB2 . 6748 1 712 . 1 1 61 61 HIS HD2 H 1 6.8430 0.0015 . . . . . . 61 HIS HD2 . 6748 1 713 . 1 1 61 61 HIS HE1 H 1 7.6560 0.0015 . . . . . . 61 HIS HE1 . 6748 1 714 . 1 1 61 61 HIS CA C 13 53.8100 0.15 . . . . . . 61 HIS CA . 6748 1 715 . 1 1 61 61 HIS CB C 13 33.4000 0.15 . . . . . . 61 HIS CB . 6748 1 716 . 1 1 61 61 HIS CD2 C 13 117.1000 0.15 . . . . . . 61 HIS CD2 . 6748 1 717 . 1 1 61 61 HIS N N 15 123.5300 0.15 . . . . . . 61 HIS N . 6748 1 718 . 1 1 62 62 ASN H H 1 9.7610 0.0015 . . . . . . 62 ASN H . 6748 1 719 . 1 1 62 62 ASN HA H 1 4.5100 0.0015 . . . . . . 62 ASN HA . 6748 1 720 . 1 1 62 62 ASN HB2 H 1 2.8140 0.0015 . . . . . . 62 ASN HB1 . 6748 1 721 . 1 1 62 62 ASN HB3 H 1 2.1800 0.0015 . . . . . . 62 ASN HB2 . 6748 1 722 . 1 1 62 62 ASN HD21 H 1 8.2930 0.0015 . . . . . . 62 ASN HD21 . 6748 1 723 . 1 1 62 62 ASN HD22 H 1 7.7670 0.0015 . . . . . . 62 ASN HD22 . 6748 1 724 . 1 1 62 62 ASN CA C 13 53.9700 0.15 . . . . . . 62 ASN CA . 6748 1 725 . 1 1 62 62 ASN CB C 13 41.7500 0.15 . . . . . . 62 ASN CB . 6748 1 726 . 1 1 62 62 ASN N N 15 120.9100 0.15 . . . . . . 62 ASN N . 6748 1 727 . 1 1 62 62 ASN ND2 N 15 121.9000 0.15 . . . . . . 62 ASN ND2 . 6748 1 728 . 1 1 63 63 PHE H H 1 8.4690 0.0015 . . . . . . 63 PHE H . 6748 1 729 . 1 1 63 63 PHE HA H 1 5.1190 0.0015 . . . . . . 63 PHE HA . 6748 1 730 . 1 1 63 63 PHE HB2 H 1 3.2900 0.0015 . . . . . . 63 PHE HB1 . 6748 1 731 . 1 1 63 63 PHE HB3 H 1 2.6900 0.0015 . . . . . . 63 PHE HB2 . 6748 1 732 . 1 1 63 63 PHE HD1 H 1 6.9600 0.0015 . . . . . . 63 PHE HD . 6748 1 733 . 1 1 63 63 PHE HD2 H 1 6.9600 0.0015 . . . . . . 63 PHE HD . 6748 1 734 . 1 1 63 63 PHE HE1 H 1 7.1720 0.0015 . . . . . . 63 PHE HE . 6748 1 735 . 1 1 63 63 PHE HE2 H 1 7.1720 0.0015 . . . . . . 63 PHE HE . 6748 1 736 . 1 1 63 63 PHE HZ H 1 7.0220 0.0015 . . . . . . 63 PHE HZ . 6748 1 737 . 1 1 63 63 PHE CA C 13 54.8700 0.15 . . . . . . 63 PHE CA . 6748 1 738 . 1 1 63 63 PHE CB C 13 40.0000 0.15 . . . . . . 63 PHE CB . 6748 1 739 . 1 1 63 63 PHE CD1 C 13 129.4000 0.15 . . . . . . 63 PHE CD . 6748 1 740 . 1 1 63 63 PHE CD2 C 13 129.4000 0.15 . . . . . . 63 PHE CD . 6748 1 741 . 1 1 63 63 PHE CE1 C 13 130.3000 0.15 . . . . . . 63 PHE CE . 6748 1 742 . 1 1 63 63 PHE CE2 C 13 130.3000 0.15 . . . . . . 63 PHE CE . 6748 1 743 . 1 1 63 63 PHE CZ C 13 128.4400 0.15 . . . . . . 63 PHE CZ . 6748 1 744 . 1 1 63 63 PHE N N 15 121.8700 0.15 . . . . . . 63 PHE N . 6748 1 745 . 1 1 64 64 SER H H 1 7.1400 0.0015 . . . . . . 64 SER H . 6748 1 746 . 1 1 64 64 SER HA H 1 4.3550 0.0015 . . . . . . 64 SER HA . 6748 1 747 . 1 1 64 64 SER HB2 H 1 3.2900 0.0015 . . . . . . 64 SER HB1 . 6748 1 748 . 1 1 64 64 SER HB3 H 1 2.5200 0.0015 . . . . . . 64 SER HB2 . 6748 1 749 . 1 1 64 64 SER CA C 13 58.2200 0.15 . . . . . . 64 SER CA . 6748 1 750 . 1 1 64 64 SER CB C 13 63.4000 0.15 . . . . . . 64 SER CB . 6748 1 751 . 1 1 64 64 SER N N 15 110.8100 0.15 . . . . . . 64 SER N . 6748 1 752 . 1 1 65 65 SER H H 1 9.0620 0.0015 . . . . . . 65 SER H . 6748 1 753 . 1 1 65 65 SER HA H 1 4.5500 0.0015 . . . . . . 65 SER HA . 6748 1 754 . 1 1 65 65 SER HB2 H 1 3.98 0.0015 . . . . . . 65 SER HB1 . 6748 1 755 . 1 1 65 65 SER HB3 H 1 3.90 0.0015 . . . . . . 65 SER HB2 . 6748 1 756 . 1 1 65 65 SER CA C 13 58.8400 0.15 . . . . . . 65 SER CA . 6748 1 757 . 1 1 65 65 SER CB C 13 62.9 0.15 . . . . . . 65 SER CB . 6748 1 758 . 1 1 65 65 SER N N 15 124.4500 0.15 . . . . . . 65 SER N . 6748 1 759 . 1 1 66 66 THR H H 1 7.7700 0.0015 . . . . . . 66 THR H . 6748 1 760 . 1 1 66 66 THR HA H 1 4.1170 0.0015 . . . . . . 66 THR HA . 6748 1 761 . 1 1 66 66 THR HB H 1 3.7800 0.0015 . . . . . . 66 THR HB . 6748 1 762 . 1 1 66 66 THR HG1 H 1 5.67 0.0015 . . . . . . 66 THR HG1 . 6748 1 763 . 1 1 66 66 THR HG21 H 1 1.1600 0.0015 . . . . . . 66 THR HG2 . 6748 1 764 . 1 1 66 66 THR HG22 H 1 1.1600 0.0015 . . . . . . 66 THR HG2 . 6748 1 765 . 1 1 66 66 THR HG23 H 1 1.1600 0.0015 . . . . . . 66 THR HG2 . 6748 1 766 . 1 1 66 66 THR CA C 13 63.7100 0.15 . . . . . . 66 THR CA . 6748 1 767 . 1 1 66 66 THR CB C 13 68.8800 0.15 . . . . . . 66 THR CB . 6748 1 768 . 1 1 66 66 THR CG2 C 13 22.4000 0.15 . . . . . . 66 THR CG2 . 6748 1 769 . 1 1 66 66 THR N N 15 114.9600 0.15 . . . . . . 66 THR N . 6748 1 770 . 1 1 67 67 ASN H H 1 7.4140 0.0015 . . . . . . 67 ASN H . 6748 1 771 . 1 1 67 67 ASN HA H 1 5.3300 0.0015 . . . . . . 67 ASN HA . 6748 1 772 . 1 1 67 67 ASN HB2 H 1 2.7600 0.0015 . . . . . . 67 ASN HB1 . 6748 1 773 . 1 1 67 67 ASN HD21 H 1 8.3300 0.0015 . . . . . . 67 ASN HD21 . 6748 1 774 . 1 1 67 67 ASN HD22 H 1 7.5700 0.0015 . . . . . . 67 ASN HD22 . 6748 1 775 . 1 1 67 67 ASN CA C 13 50.6000 0.15 . . . . . . 67 ASN CA . 6748 1 776 . 1 1 67 67 ASN CB C 13 40.6800 0.15 . . . . . . 67 ASN CB . 6748 1 777 . 1 1 67 67 ASN N N 15 117.0200 0.15 . . . . . . 67 ASN N . 6748 1 778 . 1 1 67 67 ASN ND2 N 15 118.8000 0.15 . . . . . . 67 ASN ND2 . 6748 1 779 . 1 1 68 68 PRO HA H 1 4.5300 0.0015 . . . . . . 68 PRO HA . 6748 1 780 . 1 1 68 68 PRO HB2 H 1 2.50 0.0015 . . . . . . 68 PRO HB1 . 6748 1 781 . 1 1 68 68 PRO HB3 H 1 2.00 0.0015 . . . . . . 68 PRO HB2 . 6748 1 782 . 1 1 68 68 PRO HG2 H 1 2.04 0.0015 . . . . . . 68 PRO HG1 . 6748 1 783 . 1 1 68 68 PRO HG3 H 1 2.00 0.0015 . . . . . . 68 PRO HG2 . 6748 1 784 . 1 1 68 68 PRO HD2 H 1 3.2600 0.0015 . . . . . . 68 PRO HD1 . 6748 1 785 . 1 1 68 68 PRO HD3 H 1 3.6200 0.0015 . . . . . . 68 PRO HD2 . 6748 1 786 . 1 1 68 68 PRO CA C 13 64.3 0.15 . . . . . . 68 PRO CA . 6748 1 787 . 1 1 68 68 PRO CB C 13 32.8 0.15 . . . . . . 68 PRO CB . 6748 1 788 . 1 1 68 68 PRO CG C 13 27.5 0.15 . . . . . . 68 PRO CG . 6748 1 789 . 1 1 68 68 PRO CD C 13 50.0700 0.15 . . . . . . 68 PRO CD . 6748 1 790 . 1 1 69 69 THR H H 1 7.8400 0.0015 . . . . . . 69 THR H . 6748 1 791 . 1 1 69 69 THR HA H 1 3.9800 0.0015 . . . . . . 69 THR HA . 6748 1 792 . 1 1 69 69 THR HB H 1 3.5700 0.0015 . . . . . . 69 THR HB . 6748 1 793 . 1 1 69 69 THR HG1 H 1 6.1030 0.0015 . . . . . . 69 THR HG1 . 6748 1 794 . 1 1 69 69 THR HG21 H 1 1.1500 0.0015 . . . . . . 69 THR HG2 . 6748 1 795 . 1 1 69 69 THR HG22 H 1 1.1500 0.0015 . . . . . . 69 THR HG2 . 6748 1 796 . 1 1 69 69 THR HG23 H 1 1.1500 0.0015 . . . . . . 69 THR HG2 . 6748 1 797 . 1 1 69 69 THR CA C 13 65.6200 0.15 . . . . . . 69 THR CA . 6748 1 798 . 1 1 69 69 THR CB C 13 69.7270 0.15 . . . . . . 69 THR CB . 6748 1 799 . 1 1 69 69 THR CG2 C 13 22.8000 0.15 . . . . . . 69 THR CG2 . 6748 1 800 . 1 1 69 69 THR N N 15 118.5500 0.15 . . . . . . 69 THR N . 6748 1 801 . 1 1 70 70 GLN H H 1 8.3600 0.0015 . . . . . . 70 GLN H . 6748 1 802 . 1 1 70 70 GLN HA H 1 5.1850 0.0015 . . . . . . 70 GLN HA . 6748 1 803 . 1 1 70 70 GLN HB2 H 1 1.7960 0.0015 . . . . . . 70 GLN HB1 . 6748 1 804 . 1 1 70 70 GLN HB3 H 1 1.60 0.0015 . . . . . . 70 GLN HB2 . 6748 1 805 . 1 1 70 70 GLN HG2 H 1 2.3380 0.0015 . . . . . . 70 GLN HG1 . 6748 1 806 . 1 1 70 70 GLN HG3 H 1 1.82 0.0015 . . . . . . 70 GLN HG2 . 6748 1 807 . 1 1 70 70 GLN HE21 H 1 7.2600 0.0015 . . . . . . 70 GLN HE21 . 6748 1 808 . 1 1 70 70 GLN HE22 H 1 6.5400 0.0015 . . . . . . 70 GLN HE22 . 6748 1 809 . 1 1 70 70 GLN CA C 13 53.4000 0.15 . . . . . . 70 GLN CA . 6748 1 810 . 1 1 70 70 GLN CB C 13 32.8 0.15 . . . . . . 70 GLN CB . 6748 1 811 . 1 1 70 70 GLN CG C 13 33.3 0.15 . . . . . . 70 GLN CG . 6748 1 812 . 1 1 70 70 GLN N N 15 121.1000 0.15 . . . . . . 70 GLN N . 6748 1 813 . 1 1 70 70 GLN NE2 N 15 109.0300 0.15 . . . . . . 70 GLN NE2 . 6748 1 814 . 1 1 71 71 VAL H H 1 8.6700 0.0015 . . . . . . 71 VAL H . 6748 1 815 . 1 1 71 71 VAL HA H 1 4.9000 0.0015 . . . . . . 71 VAL HA . 6748 1 816 . 1 1 71 71 VAL HB H 1 1.7910 0.0015 . . . . . . 71 VAL HB . 6748 1 817 . 1 1 71 71 VAL HG11 H 1 0.7420 0.0015 . . . . . . 71 VAL HG1 . 6748 1 818 . 1 1 71 71 VAL HG12 H 1 0.7420 0.0015 . . . . . . 71 VAL HG1 . 6748 1 819 . 1 1 71 71 VAL HG13 H 1 0.7420 0.0015 . . . . . . 71 VAL HG1 . 6748 1 820 . 1 1 71 71 VAL HG21 H 1 0.7420 0.0015 . . . . . . 71 VAL HG2 . 6748 1 821 . 1 1 71 71 VAL HG22 H 1 0.7420 0.0015 . . . . . . 71 VAL HG2 . 6748 1 822 . 1 1 71 71 VAL HG23 H 1 0.7420 0.0015 . . . . . . 71 VAL HG2 . 6748 1 823 . 1 1 71 71 VAL CA C 13 61.0800 0.15 . . . . . . 71 VAL CA . 6748 1 824 . 1 1 71 71 VAL CB C 13 33.4900 0.15 . . . . . . 71 VAL CB . 6748 1 825 . 1 1 71 71 VAL CG1 C 13 23.7200 0.15 . . . . . . 71 VAL CG1 . 6748 1 826 . 1 1 71 71 VAL CG2 C 13 20.5700 0.15 . . . . . . 71 VAL CG2 . 6748 1 827 . 1 1 71 71 VAL N N 15 117.9500 0.15 . . . . . . 71 VAL N . 6748 1 828 . 1 1 72 72 ASN H H 1 9.9450 0.0015 . . . . . . 72 ASN H . 6748 1 829 . 1 1 72 72 ASN HA H 1 4.4550 0.0015 . . . . . . 72 ASN HA . 6748 1 830 . 1 1 72 72 ASN HB2 H 1 3.0200 0.0015 . . . . . . 72 ASN HB . 6748 1 831 . 1 1 72 72 ASN HB3 H 1 3.0200 0.0015 . . . . . . 72 ASN HB . 6748 1 832 . 1 1 72 72 ASN HD21 H 1 7.8730 0.0015 . . . . . . 72 ASN HD21 . 6748 1 833 . 1 1 72 72 ASN HD22 H 1 7.5350 0.0015 . . . . . . 72 ASN HD22 . 6748 1 834 . 1 1 72 72 ASN CA C 13 53.9000 0.15 . . . . . . 72 ASN CA . 6748 1 835 . 1 1 72 72 ASN CB C 13 36.8000 0.15 . . . . . . 72 ASN CB . 6748 1 836 . 1 1 72 72 ASN N N 15 127.1700 0.15 . . . . . . 72 ASN N . 6748 1 837 . 1 1 72 72 ASN ND2 N 15 117.0600 0.15 . . . . . . 72 ASN ND2 . 6748 1 838 . 1 1 73 73 GLY H H 1 8.7880 0.0015 . . . . . . 73 GLY H . 6748 1 839 . 1 1 73 73 GLY HA2 H 1 4.1310 0.0015 . . . . . . 73 GLY HA1 . 6748 1 840 . 1 1 73 73 GLY HA3 H 1 3.7380 0.0015 . . . . . . 73 GLY HA2 . 6748 1 841 . 1 1 73 73 GLY CA C 13 45.3500 0.15 . . . . . . 73 GLY CA . 6748 1 842 . 1 1 73 73 GLY N N 15 102.6900 0.15 . . . . . . 73 GLY N . 6748 1 843 . 1 1 74 74 SER H H 1 7.7200 0.0015 . . . . . . 74 SER H . 6748 1 844 . 1 1 74 74 SER HA H 1 4.8950 0.0015 . . . . . . 74 SER HA . 6748 1 845 . 1 1 74 74 SER HB2 H 1 3.8630 0.0015 . . . . . . 74 SER HB1 . 6748 1 846 . 1 1 74 74 SER HB3 H 1 3.7010 0.0015 . . . . . . 74 SER HB2 . 6748 1 847 . 1 1 74 74 SER CA C 13 57.0400 0.15 . . . . . . 74 SER CA . 6748 1 848 . 1 1 74 74 SER CB C 13 64.7000 0.15 . . . . . . 74 SER CB . 6748 1 849 . 1 1 74 74 SER N N 15 114.9600 0.15 . . . . . . 74 SER N . 6748 1 850 . 1 1 75 75 VAL H H 1 8.6530 0.0015 . . . . . . 75 VAL H . 6748 1 851 . 1 1 75 75 VAL HA H 1 3.9500 0.0015 . . . . . . 75 VAL HA . 6748 1 852 . 1 1 75 75 VAL HB H 1 1.9400 0.0015 . . . . . . 75 VAL HB . 6748 1 853 . 1 1 75 75 VAL HG11 H 1 1.0100 0.0015 . . . . . . 75 VAL HG1 . 6748 1 854 . 1 1 75 75 VAL HG12 H 1 1.0100 0.0015 . . . . . . 75 VAL HG1 . 6748 1 855 . 1 1 75 75 VAL HG13 H 1 1.0100 0.0015 . . . . . . 75 VAL HG1 . 6748 1 856 . 1 1 75 75 VAL HG21 H 1 0.9170 0.0015 . . . . . . 75 VAL HG2 . 6748 1 857 . 1 1 75 75 VAL HG22 H 1 0.9170 0.0015 . . . . . . 75 VAL HG2 . 6748 1 858 . 1 1 75 75 VAL HG23 H 1 0.9170 0.0015 . . . . . . 75 VAL HG2 . 6748 1 859 . 1 1 75 75 VAL CA C 13 63.4900 0.15 . . . . . . 75 VAL CA . 6748 1 860 . 1 1 75 75 VAL CB C 13 32.5000 0.15 . . . . . . 75 VAL CB . 6748 1 861 . 1 1 75 75 VAL CG1 C 13 21.5300 0.15 . . . . . . 75 VAL CG1 . 6748 1 862 . 1 1 75 75 VAL CG2 C 13 21.6000 0.15 . . . . . . 75 VAL CG2 . 6748 1 863 . 1 1 75 75 VAL N N 15 123.9900 0.15 . . . . . . 75 VAL N . 6748 1 864 . 1 1 76 76 ILE H H 1 7.9570 0.0015 . . . . . . 76 ILE H . 6748 1 865 . 1 1 76 76 ILE HA H 1 4.4960 0.0015 . . . . . . 76 ILE HA . 6748 1 866 . 1 1 76 76 ILE HB H 1 1.9030 0.0015 . . . . . . 76 ILE HB . 6748 1 867 . 1 1 76 76 ILE HG12 H 1 1.11 0.0015 . . . . . . 76 ILE HG11 . 6748 1 868 . 1 1 76 76 ILE HG13 H 1 1.22 0.0015 . . . . . . 76 ILE HG12 . 6748 1 869 . 1 1 76 76 ILE HG21 H 1 0.8300 0.0015 . . . . . . 76 ILE HG2 . 6748 1 870 . 1 1 76 76 ILE HG22 H 1 0.8300 0.0015 . . . . . . 76 ILE HG2 . 6748 1 871 . 1 1 76 76 ILE HG23 H 1 0.8300 0.0015 . . . . . . 76 ILE HG2 . 6748 1 872 . 1 1 76 76 ILE HD11 H 1 0.6500 0.0015 . . . . . . 76 ILE HD1 . 6748 1 873 . 1 1 76 76 ILE HD12 H 1 0.6500 0.0015 . . . . . . 76 ILE HD1 . 6748 1 874 . 1 1 76 76 ILE HD13 H 1 0.6500 0.0015 . . . . . . 76 ILE HD1 . 6748 1 875 . 1 1 76 76 ILE CA C 13 59.3000 0.15 . . . . . . 76 ILE CA . 6748 1 876 . 1 1 76 76 ILE CB C 13 38.3000 0.15 . . . . . . 76 ILE CB . 6748 1 877 . 1 1 76 76 ILE CG1 C 13 25.4 0.15 . . . . . . 76 ILE CG1 . 6748 1 878 . 1 1 76 76 ILE CG2 C 13 18.4000 0.15 . . . . . . 76 ILE CG2 . 6748 1 879 . 1 1 76 76 ILE CD1 C 13 12.7100 0.15 . . . . . . 76 ILE CD1 . 6748 1 880 . 1 1 76 76 ILE N N 15 122.7900 0.15 . . . . . . 76 ILE N . 6748 1 881 . 1 1 77 77 ASP H H 1 8.5570 0.0015 . . . . . . 77 ASP H . 6748 1 882 . 1 1 77 77 ASP HA H 1 4.7770 0.0015 . . . . . . 77 ASP HA . 6748 1 883 . 1 1 77 77 ASP HB2 H 1 2.7300 0.0015 . . . . . . 77 ASP HB . 6748 1 884 . 1 1 77 77 ASP HB3 H 1 2.7300 0.0015 . . . . . . 77 ASP HB . 6748 1 885 . 1 1 77 77 ASP CA C 13 53.8500 0.15 . . . . . . 77 ASP CA . 6748 1 886 . 1 1 77 77 ASP CB C 13 41.7000 0.15 . . . . . . 77 ASP CB . 6748 1 887 . 1 1 77 77 ASP N N 15 122.4800 0.15 . . . . . . 77 ASP N . 6748 1 888 . 1 1 78 78 GLU H H 1 8.3100 0.0015 . . . . . . 78 GLU H . 6748 1 889 . 1 1 78 78 GLU HA H 1 4.57 0.0015 . . . . . . 78 GLU HA . 6748 1 890 . 1 1 78 78 GLU HB2 H 1 1.91 0.0015 . . . . . . 78 GLU HB1 . 6748 1 891 . 1 1 78 78 GLU HB3 H 1 2.11 0.0015 . . . . . . 78 GLU HB2 . 6748 1 892 . 1 1 78 78 GLU HG2 H 1 2.29 0.0015 . . . . . . 78 GLU HG1 . 6748 1 893 . 1 1 78 78 GLU CA C 13 54.4 0.15 . . . . . . 78 GLU CA . 6748 1 894 . 1 1 78 78 GLU CB C 13 28.8 0.15 . . . . . . 78 GLU CB . 6748 1 895 . 1 1 78 78 GLU N N 15 120.6200 0.15 . . . . . . 78 GLU N . 6748 1 896 . 1 1 79 79 PRO HA H 1 4.5900 0.0015 . . . . . . 79 PRO HA . 6748 1 897 . 1 1 79 79 PRO HB2 H 1 1.2300 0.0015 . . . . . . 79 PRO HB . 6748 1 898 . 1 1 79 79 PRO HB3 H 1 1.2300 0.0015 . . . . . . 79 PRO HB . 6748 1 899 . 1 1 79 79 PRO HG2 H 1 1.84 0.0015 . . . . . . 79 PRO HG1 . 6748 1 900 . 1 1 79 79 PRO HG3 H 1 1.82 0.0015 . . . . . . 79 PRO HG2 . 6748 1 901 . 1 1 79 79 PRO HD2 H 1 3.8020 0.0015 . . . . . . 79 PRO HD1 . 6748 1 902 . 1 1 79 79 PRO HD3 H 1 3.5200 0.0015 . . . . . . 79 PRO HD2 . 6748 1 903 . 1 1 79 79 PRO CA C 13 63.2400 0.15 . . . . . . 79 PRO CA . 6748 1 904 . 1 1 79 79 PRO CB C 13 31.0000 0.15 . . . . . . 79 PRO CB . 6748 1 905 . 1 1 79 79 PRO CG C 13 27.8 0.15 . . . . . . 79 PRO CG . 6748 1 906 . 1 1 80 80 VAL H H 1 8.3190 0.0015 . . . . . . 80 VAL H . 6748 1 907 . 1 1 80 80 VAL HA H 1 4.5200 0.0015 . . . . . . 80 VAL HA . 6748 1 908 . 1 1 80 80 VAL HB H 1 1.8890 0.0015 . . . . . . 80 VAL HB . 6748 1 909 . 1 1 80 80 VAL HG11 H 1 0.9200 0.0015 . . . . . . 80 VAL HG1 . 6748 1 910 . 1 1 80 80 VAL HG12 H 1 0.9200 0.0015 . . . . . . 80 VAL HG1 . 6748 1 911 . 1 1 80 80 VAL HG13 H 1 0.9200 0.0015 . . . . . . 80 VAL HG1 . 6748 1 912 . 1 1 80 80 VAL HG21 H 1 0.9200 0.0015 . . . . . . 80 VAL HG2 . 6748 1 913 . 1 1 80 80 VAL HG22 H 1 0.9200 0.0015 . . . . . . 80 VAL HG2 . 6748 1 914 . 1 1 80 80 VAL HG23 H 1 0.9200 0.0015 . . . . . . 80 VAL HG2 . 6748 1 915 . 1 1 80 80 VAL CA C 13 59.0100 0.15 . . . . . . 80 VAL CA . 6748 1 916 . 1 1 80 80 VAL CB C 13 35.8000 0.15 . . . . . . 80 VAL CB . 6748 1 917 . 1 1 80 80 VAL CG1 C 13 21.3000 0.15 . . . . . . 80 VAL CG1 . 6748 1 918 . 1 1 80 80 VAL CG2 C 13 20.3800 0.15 . . . . . . 80 VAL CG2 . 6748 1 919 . 1 1 80 80 VAL N N 15 116.9100 0.15 . . . . . . 80 VAL N . 6748 1 920 . 1 1 81 81 ARG H H 1 8.5370 0.0015 . . . . . . 81 ARG H . 6748 1 921 . 1 1 81 81 ARG HA H 1 4.5600 0.0015 . . . . . . 81 ARG HA . 6748 1 922 . 1 1 81 81 ARG HB2 H 1 1.7800 0.0015 . . . . . . 81 ARG HB1 . 6748 1 923 . 1 1 81 81 ARG HB3 H 1 1.6700 0.0015 . . . . . . 81 ARG HB2 . 6748 1 924 . 1 1 81 81 ARG HG2 H 1 1.6100 0.0015 . . . . . . 81 ARG HG1 . 6748 1 925 . 1 1 81 81 ARG HG3 H 1 1.5300 0.0015 . . . . . . 81 ARG HG2 . 6748 1 926 . 1 1 81 81 ARG HD2 H 1 3.1600 0.0015 . . . . . . 81 ARG HD . 6748 1 927 . 1 1 81 81 ARG HD3 H 1 3.1600 0.0015 . . . . . . 81 ARG HD . 6748 1 928 . 1 1 81 81 ARG CA C 13 55.5500 0.15 . . . . . . 81 ARG CA . 6748 1 929 . 1 1 81 81 ARG CB C 13 29.9000 0.15 . . . . . . 81 ARG CB . 6748 1 930 . 1 1 81 81 ARG CG C 13 27.8000 0.15 . . . . . . 81 ARG CG . 6748 1 931 . 1 1 81 81 ARG CD C 13 43.3400 0.15 . . . . . . 81 ARG CD . 6748 1 932 . 1 1 81 81 ARG N N 15 125.0000 0.15 . . . . . . 81 ARG N . 6748 1 933 . 1 1 82 82 LEU H H 1 8.7100 0.0015 . . . . . . 82 LEU H . 6748 1 934 . 1 1 82 82 LEU HA H 1 4.3780 0.0015 . . . . . . 82 LEU HA . 6748 1 935 . 1 1 82 82 LEU HB2 H 1 1.0000 0.0015 . . . . . . 82 LEU HB1 . 6748 1 936 . 1 1 82 82 LEU HB3 H 1 0.59 0.0015 . . . . . . 82 LEU HB2 . 6748 1 937 . 1 1 82 82 LEU HG H 1 1.4080 0.0015 . . . . . . 82 LEU HG . 6748 1 938 . 1 1 82 82 LEU HD11 H 1 0.7010 0.0015 . . . . . . 82 LEU HD1 . 6748 1 939 . 1 1 82 82 LEU HD12 H 1 0.7010 0.0015 . . . . . . 82 LEU HD1 . 6748 1 940 . 1 1 82 82 LEU HD13 H 1 0.7010 0.0015 . . . . . . 82 LEU HD1 . 6748 1 941 . 1 1 82 82 LEU HD21 H 1 0.3100 0.0015 . . . . . . 82 LEU HD2 . 6748 1 942 . 1 1 82 82 LEU HD22 H 1 0.3100 0.0015 . . . . . . 82 LEU HD2 . 6748 1 943 . 1 1 82 82 LEU HD23 H 1 0.3100 0.0015 . . . . . . 82 LEU HD2 . 6748 1 944 . 1 1 82 82 LEU CA C 13 54.1400 0.15 . . . . . . 82 LEU CA . 6748 1 945 . 1 1 82 82 LEU CB C 13 43.2 0.15 . . . . . . 82 LEU CB . 6748 1 946 . 1 1 82 82 LEU CG C 13 26.1200 0.15 . . . . . . 82 LEU CG . 6748 1 947 . 1 1 82 82 LEU CD1 C 13 22.4200 0.15 . . . . . . 82 LEU CD1 . 6748 1 948 . 1 1 82 82 LEU CD2 C 13 26.1200 0.15 . . . . . . 82 LEU CD2 . 6748 1 949 . 1 1 82 82 LEU N N 15 127.3500 0.15 . . . . . . 82 LEU N . 6748 1 950 . 1 1 83 83 LYS H H 1 9.1500 0.0015 . . . . . . 83 LYS H . 6748 1 951 . 1 1 83 83 LYS HA H 1 4.8400 0.0015 . . . . . . 83 LYS HA . 6748 1 952 . 1 1 83 83 LYS HB2 H 1 1.8900 0.0015 . . . . . . 83 LYS HB1 . 6748 1 953 . 1 1 83 83 LYS HB3 H 1 1.8400 0.0015 . . . . . . 83 LYS HB2 . 6748 1 954 . 1 1 83 83 LYS HG2 H 1 1.6310 0.0015 . . . . . . 83 LYS HG1 . 6748 1 955 . 1 1 83 83 LYS HG3 H 1 1.3990 0.0015 . . . . . . 83 LYS HG2 . 6748 1 956 . 1 1 83 83 LYS HD2 H 1 1.7600 0.0015 . . . . . . 83 LYS HD1 . 6748 1 957 . 1 1 83 83 LYS HE2 H 1 3.1000 0.0015 . . . . . . 83 LYS HE . 6748 1 958 . 1 1 83 83 LYS HE3 H 1 3.1000 0.0015 . . . . . . 83 LYS HE . 6748 1 959 . 1 1 83 83 LYS CA C 13 53.9000 0.15 . . . . . . 83 LYS CA . 6748 1 960 . 1 1 83 83 LYS CB C 13 35.1000 0.15 . . . . . . 83 LYS CB . 6748 1 961 . 1 1 83 83 LYS CG C 13 23.6000 0.15 . . . . . . 83 LYS CG . 6748 1 962 . 1 1 83 83 LYS CD C 13 28.8000 0.15 . . . . . . 83 LYS CD . 6748 1 963 . 1 1 83 83 LYS CE C 13 41.8000 0.15 . . . . . . 83 LYS CE . 6748 1 964 . 1 1 83 83 LYS N N 15 121.9500 0.15 . . . . . . 83 LYS N . 6748 1 965 . 1 1 84 84 HIS H H 1 8.9500 0.0015 . . . . . . 84 HIS H . 6748 1 966 . 1 1 84 84 HIS HA H 1 4.1070 0.0015 . . . . . . 84 HIS HA . 6748 1 967 . 1 1 84 84 HIS HB2 H 1 3.2600 0.0015 . . . . . . 84 HIS HB1 . 6748 1 968 . 1 1 84 84 HIS HB3 H 1 3.0000 0.0015 . . . . . . 84 HIS HB2 . 6748 1 969 . 1 1 84 84 HIS HD2 H 1 6.9300 0.0015 . . . . . . 84 HIS HD2 . 6748 1 970 . 1 1 84 84 HIS HE1 H 1 7.5500 0.0015 . . . . . . 84 HIS HE1 . 6748 1 971 . 1 1 84 84 HIS CA C 13 59.5600 0.15 . . . . . . 84 HIS CA . 6748 1 972 . 1 1 84 84 HIS CB C 13 31.5 0.15 . . . . . . 84 HIS CB . 6748 1 973 . 1 1 84 84 HIS CD2 C 13 117.3400 0.15 . . . . . . 84 HIS CD2 . 6748 1 974 . 1 1 84 84 HIS N N 15 121.2000 0.15 . . . . . . 84 HIS N . 6748 1 975 . 1 1 85 85 GLY H H 1 9.3180 0.0015 . . . . . . 85 GLY H . 6748 1 976 . 1 1 85 85 GLY HA2 H 1 4.3110 0.0015 . . . . . . 85 GLY HA1 . 6748 1 977 . 1 1 85 85 GLY HA3 H 1 3.1140 0.0015 . . . . . . 85 GLY HA2 . 6748 1 978 . 1 1 85 85 GLY CA C 13 44.4000 0.15 . . . . . . 85 GLY CA . 6748 1 979 . 1 1 85 85 GLY N N 15 117.5600 0.15 . . . . . . 85 GLY N . 6748 1 980 . 1 1 86 86 ASP H H 1 8.5400 0.0015 . . . . . . 86 ASP H . 6748 1 981 . 1 1 86 86 ASP HA H 1 4.86 0.0015 . . . . . . 86 ASP HA . 6748 1 982 . 1 1 86 86 ASP HB2 H 1 2.32 0.0015 . . . . . . 86 ASP HB1 . 6748 1 983 . 1 1 86 86 ASP HB3 H 1 2.89 0.0015 . . . . . . 86 ASP HB2 . 6748 1 984 . 1 1 86 86 ASP CA C 13 53.3900 0.15 . . . . . . 86 ASP CA . 6748 1 985 . 1 1 86 86 ASP CB C 13 41.8 0.15 . . . . . . 86 ASP CB . 6748 1 986 . 1 1 86 86 ASP N N 15 122.2600 0.15 . . . . . . 86 ASP N . 6748 1 987 . 1 1 87 87 VAL H H 1 8.3660 0.0015 . . . . . . 87 VAL H . 6748 1 988 . 1 1 87 87 VAL HA H 1 4.7270 0.0015 . . . . . . 87 VAL HA . 6748 1 989 . 1 1 87 87 VAL HB H 1 1.9880 0.0015 . . . . . . 87 VAL HB . 6748 1 990 . 1 1 87 87 VAL HG11 H 1 0.7900 0.0015 . . . . . . 87 VAL HG1 . 6748 1 991 . 1 1 87 87 VAL HG12 H 1 0.7900 0.0015 . . . . . . 87 VAL HG1 . 6748 1 992 . 1 1 87 87 VAL HG13 H 1 0.7900 0.0015 . . . . . . 87 VAL HG1 . 6748 1 993 . 1 1 87 87 VAL HG21 H 1 0.9960 0.0015 . . . . . . 87 VAL HG2 . 6748 1 994 . 1 1 87 87 VAL HG22 H 1 0.9960 0.0015 . . . . . . 87 VAL HG2 . 6748 1 995 . 1 1 87 87 VAL HG23 H 1 0.9960 0.0015 . . . . . . 87 VAL HG2 . 6748 1 996 . 1 1 87 87 VAL CA C 13 61.3800 0.15 . . . . . . 87 VAL CA . 6748 1 997 . 1 1 87 87 VAL CB C 13 33.6000 0.15 . . . . . . 87 VAL CB . 6748 1 998 . 1 1 87 87 VAL CG1 C 13 21.5500 0.15 . . . . . . 87 VAL CG1 . 6748 1 999 . 1 1 87 87 VAL CG2 C 13 21.4100 0.15 . . . . . . 87 VAL CG2 . 6748 1 1000 . 1 1 87 87 VAL N N 15 119.0000 0.15 . . . . . . 87 VAL N . 6748 1 1001 . 1 1 88 88 ILE H H 1 9.6600 0.0015 . . . . . . 88 ILE H . 6748 1 1002 . 1 1 88 88 ILE HA H 1 4.6810 0.0015 . . . . . . 88 ILE HA . 6748 1 1003 . 1 1 88 88 ILE HB H 1 1.8350 0.0015 . . . . . . 88 ILE HB . 6748 1 1004 . 1 1 88 88 ILE HG12 H 1 1.6600 0.0015 . . . . . . 88 ILE HG11 . 6748 1 1005 . 1 1 88 88 ILE HG13 H 1 0.8200 0.0015 . . . . . . 88 ILE HG12 . 6748 1 1006 . 1 1 88 88 ILE HG21 H 1 0.5600 0.0015 . . . . . . 88 ILE HG2 . 6748 1 1007 . 1 1 88 88 ILE HG22 H 1 0.5600 0.0015 . . . . . . 88 ILE HG2 . 6748 1 1008 . 1 1 88 88 ILE HG23 H 1 0.5600 0.0015 . . . . . . 88 ILE HG2 . 6748 1 1009 . 1 1 88 88 ILE HD11 H 1 0.8260 0.0015 . . . . . . 88 ILE HD1 . 6748 1 1010 . 1 1 88 88 ILE HD12 H 1 0.8260 0.0015 . . . . . . 88 ILE HD1 . 6748 1 1011 . 1 1 88 88 ILE HD13 H 1 0.8260 0.0015 . . . . . . 88 ILE HD1 . 6748 1 1012 . 1 1 88 88 ILE CA C 13 60.2500 0.15 . . . . . . 88 ILE CA . 6748 1 1013 . 1 1 88 88 ILE CB C 13 41.0700 0.15 . . . . . . 88 ILE CB . 6748 1 1014 . 1 1 88 88 ILE CG1 C 13 27.4000 0.15 . . . . . . 88 ILE CG1 . 6748 1 1015 . 1 1 88 88 ILE CG2 C 13 16.9000 0.15 . . . . . . 88 ILE CG2 . 6748 1 1016 . 1 1 88 88 ILE CD1 C 13 15.3500 0.15 . . . . . . 88 ILE CD1 . 6748 1 1017 . 1 1 88 88 ILE N N 15 132.5100 0.15 . . . . . . 88 ILE N . 6748 1 1018 . 1 1 89 89 THR H H 1 9.2700 0.0015 . . . . . . 89 THR H . 6748 1 1019 . 1 1 89 89 THR HA H 1 5.1730 0.0015 . . . . . . 89 THR HA . 6748 1 1020 . 1 1 89 89 THR HB H 1 3.5350 0.0015 . . . . . . 89 THR HB . 6748 1 1021 . 1 1 89 89 THR HG21 H 1 0.8020 0.0015 . . . . . . 89 THR HG2 . 6748 1 1022 . 1 1 89 89 THR HG22 H 1 0.8020 0.0015 . . . . . . 89 THR HG2 . 6748 1 1023 . 1 1 89 89 THR HG23 H 1 0.8020 0.0015 . . . . . . 89 THR HG2 . 6748 1 1024 . 1 1 89 89 THR CA C 13 61.9000 0.15 . . . . . . 89 THR CA . 6748 1 1025 . 1 1 89 89 THR CB C 13 70.6100 0.15 . . . . . . 89 THR CB . 6748 1 1026 . 1 1 89 89 THR CG2 C 13 21.35 0.15 . . . . . . 89 THR CG2 . 6748 1 1027 . 1 1 89 89 THR N N 15 123.4100 0.15 . . . . . . 89 THR N . 6748 1 1028 . 1 1 90 90 ILE H H 1 9.3200 0.0015 . . . . . . 90 ILE H . 6748 1 1029 . 1 1 90 90 ILE HA H 1 3.9720 0.0015 . . . . . . 90 ILE HA . 6748 1 1030 . 1 1 90 90 ILE HB H 1 1.5810 0.0015 . . . . . . 90 ILE HB . 6748 1 1031 . 1 1 90 90 ILE HG12 H 1 1.2600 0.0015 . . . . . . 90 ILE HG11 . 6748 1 1032 . 1 1 90 90 ILE HG13 H 1 0.7300 0.0015 . . . . . . 90 ILE HG12 . 6748 1 1033 . 1 1 90 90 ILE HG21 H 1 0.1400 0.0015 . . . . . . 90 ILE HG2 . 6748 1 1034 . 1 1 90 90 ILE HG22 H 1 0.1400 0.0015 . . . . . . 90 ILE HG2 . 6748 1 1035 . 1 1 90 90 ILE HG23 H 1 0.1400 0.0015 . . . . . . 90 ILE HG2 . 6748 1 1036 . 1 1 90 90 ILE HD11 H 1 0.3700 0.0015 . . . . . . 90 ILE HD1 . 6748 1 1037 . 1 1 90 90 ILE HD12 H 1 0.3700 0.0015 . . . . . . 90 ILE HD1 . 6748 1 1038 . 1 1 90 90 ILE HD13 H 1 0.3700 0.0015 . . . . . . 90 ILE HD1 . 6748 1 1039 . 1 1 90 90 ILE CA C 13 60.6000 0.15 . . . . . . 90 ILE CA . 6748 1 1040 . 1 1 90 90 ILE CB C 13 39.7000 0.15 . . . . . . 90 ILE CB . 6748 1 1041 . 1 1 90 90 ILE CG1 C 13 27.7000 0.15 . . . . . . 90 ILE CG1 . 6748 1 1042 . 1 1 90 90 ILE CG2 C 13 16.8900 0.15 . . . . . . 90 ILE CG2 . 6748 1 1043 . 1 1 90 90 ILE CD1 C 13 16.0000 0.15 . . . . . . 90 ILE CD1 . 6748 1 1044 . 1 1 90 90 ILE N N 15 130.0400 0.15 . . . . . . 90 ILE N . 6748 1 1045 . 1 1 91 91 ILE H H 1 9.0700 0.0015 . . . . . . 91 ILE H . 6748 1 1046 . 1 1 91 91 ILE HA H 1 3.3100 0.0015 . . . . . . 91 ILE HA . 6748 1 1047 . 1 1 91 91 ILE HB H 1 2.66 0.0015 . . . . . . 91 ILE HB . 6748 1 1048 . 1 1 91 91 ILE HG12 H 1 1.07 0.0015 . . . . . . 91 ILE HG11 . 6748 1 1049 . 1 1 91 91 ILE HG13 H 1 1.50 0.0015 . . . . . . 91 ILE HG12 . 6748 1 1050 . 1 1 91 91 ILE HG21 H 1 0.9300 0.0015 . . . . . . 91 ILE HG2 . 6748 1 1051 . 1 1 91 91 ILE HG22 H 1 0.9300 0.0015 . . . . . . 91 ILE HG2 . 6748 1 1052 . 1 1 91 91 ILE HG23 H 1 0.9300 0.0015 . . . . . . 91 ILE HG2 . 6748 1 1053 . 1 1 91 91 ILE HD11 H 1 0.7360 0.0015 . . . . . . 91 ILE HD1 . 6748 1 1054 . 1 1 91 91 ILE HD12 H 1 0.7360 0.0015 . . . . . . 91 ILE HD1 . 6748 1 1055 . 1 1 91 91 ILE HD13 H 1 0.7360 0.0015 . . . . . . 91 ILE HD1 . 6748 1 1056 . 1 1 91 91 ILE CA C 13 62.4000 0.15 . . . . . . 91 ILE CA . 6748 1 1057 . 1 1 91 91 ILE CB C 13 30.5 0.15 . . . . . . 91 ILE CB . 6748 1 1058 . 1 1 91 91 ILE CG2 C 13 17.9000 0.15 . . . . . . 91 ILE CG2 . 6748 1 1059 . 1 1 91 91 ILE CD1 C 13 8.1000 0.15 . . . . . . 91 ILE CD1 . 6748 1 1060 . 1 1 91 91 ILE N N 15 120.9700 0.15 . . . . . . 91 ILE N . 6748 1 1061 . 1 1 92 92 ASP H H 1 7.5700 0.0015 . . . . . . 92 ASP H . 6748 1 1062 . 1 1 92 92 ASP HA H 1 4.3800 0.0015 . . . . . . 92 ASP HA . 6748 1 1063 . 1 1 92 92 ASP HB2 H 1 2.9900 0.0015 . . . . . . 92 ASP HB1 . 6748 1 1064 . 1 1 92 92 ASP HB3 H 1 2.3000 0.0015 . . . . . . 92 ASP HB2 . 6748 1 1065 . 1 1 92 92 ASP CA C 13 52.1600 0.15 . . . . . . 92 ASP CA . 6748 1 1066 . 1 1 92 92 ASP CB C 13 40.2000 0.15 . . . . . . 92 ASP CB . 6748 1 1067 . 1 1 92 92 ASP N N 15 122.3600 0.15 . . . . . . 92 ASP N . 6748 1 1068 . 1 1 93 93 ARG H H 1 8.5110 0.0015 . . . . . . 93 ARG H . 6748 1 1069 . 1 1 93 93 ARG HA H 1 4.9900 0.0015 . . . . . . 93 ARG HA . 6748 1 1070 . 1 1 93 93 ARG HB2 H 1 1.80 0.0015 . . . . . . 93 ARG HB1 . 6748 1 1071 . 1 1 93 93 ARG HG2 H 1 1.47 0.0015 . . . . . . 93 ARG HG1 . 6748 1 1072 . 1 1 93 93 ARG HG3 H 1 1.08 0.0015 . . . . . . 93 ARG HG2 . 6748 1 1073 . 1 1 93 93 ARG HD2 H 1 2.87 0.0015 . . . . . . 93 ARG HD . 6748 1 1074 . 1 1 93 93 ARG HD3 H 1 2.87 0.0015 . . . . . . 93 ARG HD . 6748 1 1075 . 1 1 93 93 ARG HE H 1 7.2200 0.0015 . . . . . . 93 ARG HE . 6748 1 1076 . 1 1 93 93 ARG CA C 13 51.2901 0.15 . . . . . . 93 ARG CA . 6748 1 1077 . 1 1 93 93 ARG CB C 13 27.8 0.15 . . . . . . 93 ARG CB . 6748 1 1078 . 1 1 93 93 ARG CG C 13 25.8 0.15 . . . . . . 93 ARG CG . 6748 1 1079 . 1 1 93 93 ARG CD C 13 43.6 0.15 . . . . . . 93 ARG CD . 6748 1 1080 . 1 1 93 93 ARG N N 15 121.0600 0.15 . . . . . . 93 ARG N . 6748 1 1081 . 1 1 93 93 ARG NE N 15 84.7000 0.15 . . . . . . 93 ARG NE . 6748 1 1082 . 1 1 94 94 SER H H 1 8.9330 0.0015 . . . . . . 94 SER H . 6748 1 1083 . 1 1 94 94 SER HA H 1 6.0400 0.0015 . . . . . . 94 SER HA . 6748 1 1084 . 1 1 94 94 SER HB2 H 1 3.5800 0.0015 . . . . . . 94 SER HB1 . 6748 1 1085 . 1 1 94 94 SER HB3 H 1 3.2860 0.0015 . . . . . . 94 SER HB2 . 6748 1 1086 . 1 1 94 94 SER CA C 13 57.2000 0.15 . . . . . . 94 SER CA . 6748 1 1087 . 1 1 94 94 SER CB C 13 66.1000 0.15 . . . . . . 94 SER CB . 6748 1 1088 . 1 1 94 94 SER N N 15 118.9300 0.15 . . . . . . 94 SER N . 6748 1 1089 . 1 1 95 95 PHE H H 1 9.2600 0.0015 . . . . . . 95 PHE H . 6748 1 1090 . 1 1 95 95 PHE HA H 1 5.1500 0.0015 . . . . . . 95 PHE HA . 6748 1 1091 . 1 1 95 95 PHE HB2 H 1 2.8600 0.0015 . . . . . . 95 PHE HB . 6748 1 1092 . 1 1 95 95 PHE HB3 H 1 2.8600 0.0015 . . . . . . 95 PHE HB . 6748 1 1093 . 1 1 95 95 PHE HD1 H 1 7.1300 0.0015 . . . . . . 95 PHE HD . 6748 1 1094 . 1 1 95 95 PHE HD2 H 1 7.1300 0.0015 . . . . . . 95 PHE HD . 6748 1 1095 . 1 1 95 95 PHE HE1 H 1 7.22 0.0015 . . . . . . 95 PHE HE . 6748 1 1096 . 1 1 95 95 PHE HE2 H 1 7.22 0.0015 . . . . . . 95 PHE HE . 6748 1 1097 . 1 1 95 95 PHE HZ H 1 7.05 0.0015 . . . . . . 95 PHE HZ . 6748 1 1098 . 1 1 95 95 PHE CA C 13 55.6300 0.15 . . . . . . 95 PHE CA . 6748 1 1099 . 1 1 95 95 PHE CB C 13 43.3000 0.15 . . . . . . 95 PHE CB . 6748 1 1100 . 1 1 95 95 PHE CD1 C 13 131.8000 0.15 . . . . . . 95 PHE CD . 6748 1 1101 . 1 1 95 95 PHE CD2 C 13 131.8000 0.15 . . . . . . 95 PHE CD . 6748 1 1102 . 1 1 95 95 PHE CE1 C 13 130.7 0.15 . . . . . . 95 PHE CE . 6748 1 1103 . 1 1 95 95 PHE CE2 C 13 130.7 0.15 . . . . . . 95 PHE CE . 6748 1 1104 . 1 1 95 95 PHE CZ C 13 127.6 0.15 . . . . . . 95 PHE CZ . 6748 1 1105 . 1 1 95 95 PHE N N 15 118.1600 0.15 . . . . . . 95 PHE N . 6748 1 1106 . 1 1 96 96 ARG H H 1 9.7000 0.0015 . . . . . . 96 ARG H . 6748 1 1107 . 1 1 96 96 ARG HA H 1 5.2260 0.0015 . . . . . . 96 ARG HA . 6748 1 1108 . 1 1 96 96 ARG HB2 H 1 1.47 0.0015 . . . . . . 96 ARG HB1 . 6748 1 1109 . 1 1 96 96 ARG HB3 H 1 1.86 0.0015 . . . . . . 96 ARG HB2 . 6748 1 1110 . 1 1 96 96 ARG HD2 H 1 3.1700 0.0015 . . . . . . 96 ARG HD . 6748 1 1111 . 1 1 96 96 ARG HD3 H 1 3.1700 0.0015 . . . . . . 96 ARG HD . 6748 1 1112 . 1 1 96 96 ARG HE H 1 7.7500 0.0015 . . . . . . 96 ARG HE . 6748 1 1113 . 1 1 96 96 ARG CA C 13 54.5000 0.15 . . . . . . 96 ARG CA . 6748 1 1114 . 1 1 96 96 ARG CB C 13 33.0 0.15 . . . . . . 96 ARG CB . 6748 1 1115 . 1 1 96 96 ARG N N 15 125.0200 0.15 . . . . . . 96 ARG N . 6748 1 1116 . 1 1 96 96 ARG NE N 15 82.9000 0.15 . . . . . . 96 ARG NE . 6748 1 1117 . 1 1 97 97 TYR H H 1 9.4220 0.0015 . . . . . . 97 TYR H . 6748 1 1118 . 1 1 97 97 TYR HA H 1 4.9200 0.0015 . . . . . . 97 TYR HA . 6748 1 1119 . 1 1 97 97 TYR HB2 H 1 2.9570 0.0015 . . . . . . 97 TYR HB1 . 6748 1 1120 . 1 1 97 97 TYR HB3 H 1 2.7250 0.0015 . . . . . . 97 TYR HB2 . 6748 1 1121 . 1 1 97 97 TYR HD1 H 1 6.9110 0.0015 . . . . . . 97 TYR HD . 6748 1 1122 . 1 1 97 97 TYR HD2 H 1 6.9110 0.0015 . . . . . . 97 TYR HD . 6748 1 1123 . 1 1 97 97 TYR HE1 H 1 6.4140 0.0015 . . . . . . 97 TYR HE . 6748 1 1124 . 1 1 97 97 TYR HE2 H 1 6.4140 0.0015 . . . . . . 97 TYR HE . 6748 1 1125 . 1 1 97 97 TYR CA C 13 57.8900 0.15 . . . . . . 97 TYR CA . 6748 1 1126 . 1 1 97 97 TYR CB C 13 39.2000 0.15 . . . . . . 97 TYR CB . 6748 1 1127 . 1 1 97 97 TYR CD1 C 13 132.5000 0.15 . . . . . . 97 TYR CD . 6748 1 1128 . 1 1 97 97 TYR CD2 C 13 132.5000 0.15 . . . . . . 97 TYR CD . 6748 1 1129 . 1 1 97 97 TYR CE1 C 13 116.7200 0.15 . . . . . . 97 TYR CE . 6748 1 1130 . 1 1 97 97 TYR CE2 C 13 116.7200 0.15 . . . . . . 97 TYR CE . 6748 1 1131 . 1 1 97 97 TYR N N 15 129.5700 0.15 . . . . . . 97 TYR N . 6748 1 1132 . 1 1 98 98 GLU H H 1 8.5500 0.0015 . . . . . . 98 GLU H . 6748 1 1133 . 1 1 98 98 GLU HA H 1 4.7700 0.0015 . . . . . . 98 GLU HA . 6748 1 1134 . 1 1 98 98 GLU HB2 H 1 1.91 0.0015 . . . . . . 98 GLU HB1 . 6748 1 1135 . 1 1 98 98 GLU HB3 H 1 1.86 0.0015 . . . . . . 98 GLU HB2 . 6748 1 1136 . 1 1 98 98 GLU HG2 H 1 1.7580 0.0015 . . . . . . 98 GLU HG1 . 6748 1 1137 . 1 1 98 98 GLU HG3 H 1 2.0500 0.0015 . . . . . . 98 GLU HG2 . 6748 1 1138 . 1 1 98 98 GLU CA C 13 53.9100 0.15 . . . . . . 98 GLU CA . 6748 1 1139 . 1 1 98 98 GLU CB C 13 33.7 0.15 . . . . . . 98 GLU CB . 6748 1 1140 . 1 1 98 98 GLU CG C 13 36.7000 0.15 . . . . . . 98 GLU CG . 6748 1 1141 . 1 1 98 98 GLU N N 15 125.6700 0.15 . . . . . . 98 GLU N . 6748 1 1142 . 1 1 99 99 ASN H H 1 10.9100 0.0015 . . . . . . 99 ASN H . 6748 1 1143 . 1 1 99 99 ASN HA H 1 4.9900 0.0015 . . . . . . 99 ASN HA . 6748 1 1144 . 1 1 99 99 ASN HB2 H 1 2.6600 0.0015 . . . . . . 99 ASN HB . 6748 1 1145 . 1 1 99 99 ASN HB3 H 1 2.6600 0.0015 . . . . . . 99 ASN HB . 6748 1 1146 . 1 1 99 99 ASN HD21 H 1 7.3590 0.0015 . . . . . . 99 ASN HD21 . 6748 1 1147 . 1 1 99 99 ASN HD22 H 1 6.9790 0.0015 . . . . . . 99 ASN HD22 . 6748 1 1148 . 1 1 99 99 ASN CA C 13 51.9000 0.15 . . . . . . 99 ASN CA . 6748 1 1149 . 1 1 99 99 ASN CB C 13 40.0000 0.15 . . . . . . 99 ASN CB . 6748 1 1150 . 1 1 99 99 ASN N N 15 120.9300 0.15 . . . . . . 99 ASN N . 6748 1 1151 . 1 1 99 99 ASN ND2 N 15 110.0100 0.15 . . . . . . 99 ASN ND2 . 6748 1 1152 . 1 1 100 100 GLU H H 1 8.4500 0.0015 . . . . . . 100 GLU H . 6748 1 1153 . 1 1 100 100 GLU HA H 1 4.13 0.0015 . . . . . . 100 GLU HA . 6748 1 1154 . 1 1 100 100 GLU HB2 H 1 1.91 0.0015 . . . . . . 100 GLU HB1 . 6748 1 1155 . 1 1 100 100 GLU HG2 H 1 2.04 0.0015 . . . . . . 100 GLU HG1 . 6748 1 1156 . 1 1 100 100 GLU CA C 13 56.1700 0.15 . . . . . . 100 GLU CA . 6748 1 1157 . 1 1 100 100 GLU CB C 13 30.9 0.15 . . . . . . 100 GLU CB . 6748 1 1158 . 1 1 100 100 GLU N N 15 122.9100 0.15 . . . . . . 100 GLU N . 6748 1 1159 . 1 1 101 101 SER H H 1 8.37 0.0015 . . . . . . 101 SER H . 6748 1 1160 . 1 1 101 101 SER HA H 1 4.35 0.0015 . . . . . . 101 SER HA . 6748 1 1161 . 1 1 101 101 SER HB2 H 1 3.82 0.0015 . . . . . . 101 SER HB1 . 6748 1 1162 . 1 1 101 101 SER CA C 13 58.2 0.15 . . . . . . 101 SER CA . 6748 1 1163 . 1 1 101 101 SER CB C 13 63.4 0.15 . . . . . . 101 SER CB . 6748 1 1164 . 1 1 101 101 SER N N 15 116.6 0.15 . . . . . . 101 SER N . 6748 1 1165 . 1 1 102 102 LEU H H 1 8.23 0.0015 . . . . . . 102 LEU H . 6748 1 1166 . 1 1 102 102 LEU HA H 1 4.32 0.0015 . . . . . . 102 LEU HA . 6748 1 1167 . 1 1 102 102 LEU HB2 H 1 1.57 0.0015 . . . . . . 102 LEU HB . 6748 1 1168 . 1 1 102 102 LEU HB3 H 1 1.57 0.0015 . . . . . . 102 LEU HB . 6748 1 1169 . 1 1 102 102 LEU HD11 H 1 0.81 0.0015 . . . . . . 102 LEU HD1 . 6748 1 1170 . 1 1 102 102 LEU HD12 H 1 0.81 0.0015 . . . . . . 102 LEU HD1 . 6748 1 1171 . 1 1 102 102 LEU HD13 H 1 0.81 0.0015 . . . . . . 102 LEU HD1 . 6748 1 1172 . 1 1 102 102 LEU HD21 H 1 0.88 0.0015 . . . . . . 102 LEU HD2 . 6748 1 1173 . 1 1 102 102 LEU HD22 H 1 0.88 0.0015 . . . . . . 102 LEU HD2 . 6748 1 1174 . 1 1 102 102 LEU HD23 H 1 0.88 0.0015 . . . . . . 102 LEU HD2 . 6748 1 1175 . 1 1 102 102 LEU CA C 13 54.8 0.15 . . . . . . 102 LEU CA . 6748 1 1176 . 1 1 102 102 LEU CB C 13 42.0 0.15 . . . . . . 102 LEU CB . 6748 1 1177 . 1 1 102 102 LEU CD1 C 13 23.1 0.15 . . . . . . 102 LEU CD1 . 6748 1 1178 . 1 1 102 102 LEU CD2 C 13 24.8 0.15 . . . . . . 102 LEU CD2 . 6748 1 1179 . 1 1 102 102 LEU N N 15 124.0 0.15 . . . . . . 102 LEU N . 6748 1 1180 . 1 1 103 103 GLN H H 1 8.3300 0.0015 . . . . . . 103 GLN H . 6748 1 1181 . 1 1 103 103 GLN HA H 1 4.32 0.0015 . . . . . . 103 GLN HA . 6748 1 1182 . 1 1 103 103 GLN HB2 H 1 2.09 0.0015 . . . . . . 103 GLN HB1 . 6748 1 1183 . 1 1 103 103 GLN HB3 H 1 1.98 0.0015 . . . . . . 103 GLN HB2 . 6748 1 1184 . 1 1 103 103 GLN HG2 H 1 2.36 0.0015 . . . . . . 103 GLN HG . 6748 1 1185 . 1 1 103 103 GLN HG3 H 1 2.36 0.0015 . . . . . . 103 GLN HG . 6748 1 1186 . 1 1 103 103 GLN HE21 H 1 7.5800 0.0015 . . . . . . 103 GLN HE21 . 6748 1 1187 . 1 1 103 103 GLN HE22 H 1 6.8400 0.0015 . . . . . . 103 GLN HE22 . 6748 1 1188 . 1 1 103 103 GLN CA C 13 55.5 0.15 . . . . . . 103 GLN CA . 6748 1 1189 . 1 1 103 103 GLN CB C 13 29.5 0.15 . . . . . . 103 GLN CB . 6748 1 1190 . 1 1 103 103 GLN CG C 13 33.4000 0.15 . . . . . . 103 GLN CG . 6748 1 1191 . 1 1 103 103 GLN NE2 N 15 112.1000 0.15 . . . . . . 103 GLN NE2 . 6748 1 1192 . 1 1 104 104 ASN H H 1 8.10 0.0015 . . . . . . 104 ASN H . 6748 1 1193 . 1 1 104 104 ASN HB2 H 1 2.69 0.0015 . . . . . . 104 ASN HB1 . 6748 1 1194 . 1 1 104 104 ASN CA C 13 54.7 0.15 . . . . . . 104 ASN CA . 6748 1 1195 . 1 1 104 104 ASN CB C 13 40.9 0.15 . . . . . . 104 ASN CB . 6748 1 1196 . 1 1 104 104 ASN N N 15 125.8 0.15 . . . . . . 104 ASN N . 6748 1 1197 . 1 1 105 105 GLY H H 1 8.41 0.0015 . . . . . . 105 GLY H . 6748 1 1198 . 1 1 105 105 GLY CA C 13 45.6 0.15 . . . . . . 105 GLY CA . 6748 1 1199 . 1 1 105 105 GLY N N 15 114.2 0.15 . . . . . . 105 GLY N . 6748 1 1200 . 1 1 106 106 ARG H H 1 8.10 0.0015 . . . . . . 106 ARG H . 6748 1 1201 . 1 1 106 106 ARG CA C 13 55.9 0.15 . . . . . . 106 ARG CA . 6748 1 1202 . 1 1 106 106 ARG CB C 13 30.8 0.15 . . . . . . 106 ARG CB . 6748 1 1203 . 1 1 106 106 ARG N N 15 120.6 0.15 . . . . . . 106 ARG N . 6748 1 1204 . 1 1 107 107 LYS H H 1 8.426 0.0015 . . . . . . 107 LYS H . 6748 1 1205 . 1 1 107 107 LYS CA C 13 56.0 0.15 . . . . . . 107 LYS CA . 6748 1 1206 . 1 1 107 107 LYS CB C 13 32.9 0.15 . . . . . . 107 LYS CB . 6748 1 1207 . 1 1 107 107 LYS N N 15 123.4 0.15 . . . . . . 107 LYS N . 6748 1 1208 . 1 1 108 108 SER CA C 13 58.4 0.15 . . . . . . 108 SER CA . 6748 1 1209 . 1 1 108 108 SER CB C 13 63.6 0.15 . . . . . . 108 SER CB . 6748 1 1210 . 1 1 109 109 THR H H 1 8.14 0.0015 . . . . . . 109 THR H . 6748 1 1211 . 1 1 109 109 THR HA H 1 4.30 0.0015 . . . . . . 109 THR HA . 6748 1 1212 . 1 1 109 109 THR HB H 1 4.23 0.0015 . . . . . . 109 THR HB . 6748 1 1213 . 1 1 109 109 THR HG21 H 1 1.14 0.0015 . . . . . . 109 THR HG2 . 6748 1 1214 . 1 1 109 109 THR HG22 H 1 1.14 0.0015 . . . . . . 109 THR HG2 . 6748 1 1215 . 1 1 109 109 THR HG23 H 1 1.14 0.0015 . . . . . . 109 THR HG2 . 6748 1 1216 . 1 1 109 109 THR CA C 13 61.48 0.15 . . . . . . 109 THR CA . 6748 1 1217 . 1 1 109 109 THR CB C 13 69.5 0.15 . . . . . . 109 THR CB . 6748 1 1218 . 1 1 109 109 THR N N 15 115.4 0.15 . . . . . . 109 THR N . 6748 1 1219 . 1 1 110 110 GLU H H 1 8.21 0.0015 . . . . . . 110 GLU H . 6748 1 1220 . 1 1 110 110 GLU CA C 13 56.3 0.15 . . . . . . 110 GLU CA . 6748 1 1221 . 1 1 110 110 GLU CB C 13 30.5 0.15 . . . . . . 110 GLU CB . 6748 1 1222 . 1 1 110 110 GLU N N 15 123.0 0.15 . . . . . . 110 GLU N . 6748 1 1223 . 1 1 111 111 PHE H H 1 8.12 0.0015 . . . . . . 111 PHE H . 6748 1 1224 . 1 1 111 111 PHE HA H 1 4.53 0.0015 . . . . . . 111 PHE HA . 6748 1 1225 . 1 1 111 111 PHE HB2 H 1 2.94 0.0015 . . . . . . 111 PHE HB1 . 6748 1 1226 . 1 1 111 111 PHE HD1 H 1 7.24 0.0015 . . . . . . 111 PHE HD . 6748 1 1227 . 1 1 111 111 PHE HD2 H 1 7.24 0.0015 . . . . . . 111 PHE HD . 6748 1 1228 . 1 1 111 111 PHE CA C 13 55.5 0.15 . . . . . . 111 PHE CA . 6748 1 1229 . 1 1 111 111 PHE CB C 13 41.2 0.15 . . . . . . 111 PHE CB . 6748 1 1230 . 1 1 111 111 PHE N N 15 121.5 0.15 . . . . . . 111 PHE N . 6748 1 1231 . 1 1 112 112 PRO HA H 1 4.43 0.0015 . . . . . . 112 PRO HA . 6748 1 1232 . 1 1 112 112 PRO CA C 13 62.9 0.15 . . . . . . 112 PRO CA . 6748 1 1233 . 1 1 112 112 PRO CB C 13 32.0 0.15 . . . . . . 112 PRO CB . 6748 1 1234 . 1 1 113 113 ARG H H 1 8.41 0.0015 . . . . . . 113 ARG H . 6748 1 1235 . 1 1 113 113 ARG CA C 13 56.0 0.15 . . . . . . 113 ARG CA . 6748 1 1236 . 1 1 113 113 ARG CB C 13 31.0 0.15 . . . . . . 113 ARG CB . 6748 1 1237 . 1 1 113 113 ARG N N 15 121.9 0.15 . . . . . . 113 ARG N . 6748 1 1238 . 1 1 114 114 LYS CA C 13 56.2400 0.15 . . . . . . 114 LYS CA . 6748 1 1239 . 1 1 114 114 LYS CB C 13 32.8 0.15 . . . . . . 114 LYS CB . 6748 1 1240 . 1 1 115 115 ILE H H 1 8.2860 0.0015 . . . . . . 115 ILE H . 6748 1 1241 . 1 1 115 115 ILE HA H 1 4.1380 0.0015 . . . . . . 115 ILE HA . 6748 1 1242 . 1 1 115 115 ILE HB H 1 1.8600 0.0015 . . . . . . 115 ILE HB . 6748 1 1243 . 1 1 115 115 ILE CA C 13 60.8200 0.15 . . . . . . 115 ILE CA . 6748 1 1244 . 1 1 115 115 ILE CB C 13 38.4000 0.15 . . . . . . 115 ILE CB . 6748 1 1245 . 1 1 115 115 ILE N N 15 122.8000 0.15 . . . . . . 115 ILE N . 6748 1 1246 . 1 1 116 116 ARG H H 1 8.4300 0.0015 . . . . . . 116 ARG H . 6748 1 1247 . 1 1 116 116 ARG CA C 13 56.0400 0.15 . . . . . . 116 ARG CA . 6748 1 1248 . 1 1 116 116 ARG CB C 13 30.7 0.15 . . . . . . 116 ARG CB . 6748 1 1249 . 1 1 116 116 ARG N N 15 125.4070 0.15 . . . . . . 116 ARG N . 6748 1 1250 . 1 1 117 117 GLU H H 1 8.57 0.0015 . . . . . . 117 GLU H . 6748 1 1251 . 1 1 117 117 GLU CA C 13 56.4 0.15 . . . . . . 117 GLU CA . 6748 1 1252 . 1 1 117 117 GLU CB C 13 30.2 0.15 . . . . . . 117 GLU CB . 6748 1 1253 . 1 1 117 117 GLU N N 15 122.6 0.15 . . . . . . 117 GLU N . 6748 1 1254 . 1 1 118 118 GLN CA C 13 55.5500 0.15 . . . . . . 118 GLN CA . 6748 1 1255 . 1 1 118 118 GLN CB C 13 29.6 0.15 . . . . . . 118 GLN CB . 6748 1 1256 . 1 1 119 119 GLU H H 1 8.4750 0.0015 . . . . . . 119 GLU H . 6748 1 1257 . 1 1 119 119 GLU CA C 13 54.3200 0.15 . . . . . . 119 GLU CA . 6748 1 1258 . 1 1 119 119 GLU CB C 13 29.40 0.15 . . . . . . 119 GLU CB . 6748 1 1259 . 1 1 119 119 GLU N N 15 124.6700 0.15 . . . . . . 119 GLU N . 6748 1 1260 . 2 2 1 1 LYS H H 1 8.4980 0.0015 . . . . . . 226 LYS H . 6748 1 1261 . 2 2 1 1 LYS HA H 1 4.45 0.0015 . . . . . . 226 LYS HA . 6748 1 1262 . 2 2 1 1 LYS CA C 13 56.1700 0.15 . . . . . . 226 LYS CA . 6748 1 1263 . 2 2 1 1 LYS CB C 13 33.0300 0.15 . . . . . . 226 LYS CB . 6748 1 1264 . 2 2 1 1 LYS N N 15 123.5900 0.15 . . . . . . 226 LYS N . 6748 1 1265 . 2 2 2 2 THR H H 1 8.3100 0.0015 . . . . . . 227 THR H . 6748 1 1266 . 2 2 2 2 THR HA H 1 4.3530 0.0015 . . . . . . 227 THR HA . 6748 1 1267 . 2 2 2 2 THR HB H 1 4.1970 0.0015 . . . . . . 227 THR HB . 6748 1 1268 . 2 2 2 2 THR HG21 H 1 1.2100 0.0015 . . . . . . 227 THR HG2 . 6748 1 1269 . 2 2 2 2 THR HG22 H 1 1.2100 0.0015 . . . . . . 227 THR HG2 . 6748 1 1270 . 2 2 2 2 THR HG23 H 1 1.2100 0.0015 . . . . . . 227 THR HG2 . 6748 1 1271 . 2 2 2 2 THR CA C 13 61.7500 0.15 . . . . . . 227 THR CA . 6748 1 1272 . 2 2 2 2 THR CB C 13 69.5400 0.15 . . . . . . 227 THR CB . 6748 1 1273 . 2 2 2 2 THR CG2 C 13 21.6500 0.15 . . . . . . 227 THR CG2 . 6748 1 1274 . 2 2 2 2 THR N N 15 116.0500 0.15 . . . . . . 227 THR N . 6748 1 1275 . 2 2 3 3 VAL H H 1 8.2400 0.0015 . . . . . . 228 VAL H . 6748 1 1276 . 2 2 3 3 VAL HA H 1 4.1660 0.0015 . . . . . . 228 VAL HA . 6748 1 1277 . 2 2 3 3 VAL HB H 1 2.0390 0.0015 . . . . . . 228 VAL HB . 6748 1 1278 . 2 2 3 3 VAL HG11 H 1 0.9030 0.0015 . . . . . . 228 VAL HG1 . 6748 1 1279 . 2 2 3 3 VAL HG12 H 1 0.9030 0.0015 . . . . . . 228 VAL HG1 . 6748 1 1280 . 2 2 3 3 VAL HG13 H 1 0.9030 0.0015 . . . . . . 228 VAL HG1 . 6748 1 1281 . 2 2 3 3 VAL HG21 H 1 0.8760 0.0015 . . . . . . 228 VAL HG2 . 6748 1 1282 . 2 2 3 3 VAL HG22 H 1 0.8760 0.0015 . . . . . . 228 VAL HG2 . 6748 1 1283 . 2 2 3 3 VAL HG23 H 1 0.8760 0.0015 . . . . . . 228 VAL HG2 . 6748 1 1284 . 2 2 3 3 VAL CA C 13 61.4500 0.15 . . . . . . 228 VAL CA . 6748 1 1285 . 2 2 3 3 VAL CB C 13 32.9900 0.15 . . . . . . 228 VAL CB . 6748 1 1286 . 2 2 3 3 VAL CG1 C 13 20.3700 0.15 . . . . . . 228 VAL CG1 . 6748 1 1287 . 2 2 3 3 VAL CG2 C 13 20.9300 0.15 . . . . . . 228 VAL CG2 . 6748 1 1288 . 2 2 3 3 VAL N N 15 121.9400 0.15 . . . . . . 228 VAL N . 6748 1 1289 . 2 2 4 4 ASP H H 1 8.5600 0.0015 . . . . . . 229 ASP H . 6748 1 1290 . 2 2 4 4 ASP HA H 1 4.6450 0.0015 . . . . . . 229 ASP HA . 6748 1 1291 . 2 2 4 4 ASP HB2 H 1 2.7860 0.0015 . . . . . . 229 ASP HB1 . 6748 1 1292 . 2 2 4 4 ASP HB3 H 1 2.6560 0.0015 . . . . . . 229 ASP HB2 . 6748 1 1293 . 2 2 4 4 ASP CA C 13 53.8000 0.15 . . . . . . 229 ASP CA . 6748 1 1294 . 2 2 4 4 ASP CB C 13 41.3000 0.15 . . . . . . 229 ASP CB . 6748 1 1295 . 2 2 4 4 ASP N N 15 125.0400 0.15 . . . . . . 229 ASP N . 6748 1 1296 . 2 2 5 5 SER H H 1 9.5000 0.0015 . . . . . . 230 SER H . 6748 1 1297 . 2 2 5 5 SER HA H 1 4.3620 0.0015 . . . . . . 230 SER HA . 6748 1 1298 . 2 2 5 5 SER HB2 H 1 4.1800 0.0015 . . . . . . 230 SER HB1 . 6748 1 1299 . 2 2 5 5 SER HB3 H 1 4.1000 0.0015 . . . . . . 230 SER HB2 . 6748 1 1300 . 2 2 5 5 SER CA C 13 58.6600 0.15 . . . . . . 230 SER CA . 6748 1 1301 . 2 2 5 5 SER CB C 13 65.4000 0.15 . . . . . . 230 SER CB . 6748 1 1302 . 2 2 5 5 SER N N 15 121.1900 0.15 . . . . . . 230 SER N . 6748 1 1303 . 2 2 6 6 GLN H H 1 8.5200 0.0015 . . . . . . 231 GLN H . 6748 1 1304 . 2 2 6 6 GLN HA H 1 4.4600 0.0015 . . . . . . 231 GLN HA . 6748 1 1305 . 2 2 6 6 GLN HB2 H 1 2.3000 0.0015 . . . . . . 231 GLN HB1 . 6748 1 1306 . 2 2 6 6 GLN HB3 H 1 1.9600 0.0015 . . . . . . 231 GLN HB2 . 6748 1 1307 . 2 2 6 6 GLN HG2 H 1 2.3900 0.0015 . . . . . . 231 GLN HG . 6748 1 1308 . 2 2 6 6 GLN HG3 H 1 2.3900 0.0015 . . . . . . 231 GLN HG . 6748 1 1309 . 2 2 6 6 GLN HE21 H 1 8.1300 0.0015 . . . . . . 231 GLN HE21 . 6748 1 1310 . 2 2 6 6 GLN HE22 H 1 6.7700 0.0015 . . . . . . 231 GLN HE22 . 6748 1 1311 . 2 2 6 6 GLN CA C 13 55.2000 0.15 . . . . . . 231 GLN CA . 6748 1 1312 . 2 2 6 6 GLN CB C 13 29.3000 0.15 . . . . . . 231 GLN CB . 6748 1 1313 . 2 2 6 6 GLN CG C 13 33.5000 0.15 . . . . . . 231 GLN CG . 6748 1 1314 . 2 2 6 6 GLN N N 15 120.4000 0.15 . . . . . . 231 GLN N . 6748 1 1315 . 2 2 6 6 GLN NE2 N 15 114.5000 0.15 . . . . . . 231 GLN NE2 . 6748 1 1316 . 2 2 7 7 GLY H H 1 8.0800 0.0015 . . . . . . 232 GLY H . 6748 1 1317 . 2 2 7 7 GLY HA2 H 1 4.2200 0.0015 . . . . . . 232 GLY HA1 . 6748 1 1318 . 2 2 7 7 GLY HA3 H 1 4.0200 0.0015 . . . . . . 232 GLY HA2 . 6748 1 1319 . 2 2 7 7 GLY CA C 13 44.7500 0.15 . . . . . . 232 GLY CA . 6748 1 1320 . 2 2 7 7 GLY N N 15 108.3700 0.15 . . . . . . 232 GLY N . 6748 1 1321 . 2 2 8 8 PRO HA H 1 4.3900 0.0015 . . . . . . 233 PRO HA . 6748 1 1322 . 2 2 8 8 PRO HB2 H 1 2.3000 0.0015 . . . . . . 233 PRO HB1 . 6748 1 1323 . 2 2 8 8 PRO HB3 H 1 1.8600 0.0015 . . . . . . 233 PRO HB2 . 6748 1 1324 . 2 2 8 8 PRO HG2 H 1 2.0300 0.0015 . . . . . . 233 PRO HG . 6748 1 1325 . 2 2 8 8 PRO HG3 H 1 2.0300 0.0015 . . . . . . 233 PRO HG . 6748 1 1326 . 2 2 8 8 PRO HD2 H 1 3.6870 0.0015 . . . . . . 233 PRO HD1 . 6748 1 1327 . 2 2 8 8 PRO HD3 H 1 3.6150 0.0015 . . . . . . 233 PRO HD2 . 6748 1 1328 . 2 2 8 8 PRO CA C 13 62.6000 0.15 . . . . . . 233 PRO CA . 6748 1 1329 . 2 2 8 8 PRO CB C 13 31.9000 0.15 . . . . . . 233 PRO CB . 6748 1 1330 . 2 2 8 8 PRO CG C 13 27.1000 0.15 . . . . . . 233 PRO CG . 6748 1 1331 . 2 2 8 8 PRO CD C 13 49.9000 0.15 . . . . . . 233 PRO CD . 6748 1 1332 . 2 2 9 9 THR H H 1 10.6970 0.0015 . . . . . . 234 THR H . 6748 1 1333 . 2 2 9 9 THR HA H 1 4.2300 0.0015 . . . . . . 234 THR HA . 6748 1 1334 . 2 2 9 9 THR HB H 1 4.3320 0.0015 . . . . . . 234 THR HB . 6748 1 1335 . 2 2 9 9 THR HG21 H 1 1.2220 0.0015 . . . . . . 234 THR HG2 . 6748 1 1336 . 2 2 9 9 THR HG22 H 1 1.2220 0.0015 . . . . . . 234 THR HG2 . 6748 1 1337 . 2 2 9 9 THR HG23 H 1 1.2220 0.0015 . . . . . . 234 THR HG2 . 6748 1 1338 . 2 2 9 9 THR CA C 13 61.3100 0.15 . . . . . . 234 THR CA . 6748 1 1339 . 2 2 9 9 THR CB C 13 73.2200 0.15 . . . . . . 234 THR CB . 6748 1 1340 . 2 2 9 9 THR CG2 C 13 20.2100 0.15 . . . . . . 234 THR CG2 . 6748 1 1341 . 2 2 9 9 THR N N 15 126.7000 0.15 . . . . . . 234 THR N . 6748 1 1342 . 2 2 10 10 PRO HA H 1 4.5200 0.0015 . . . . . . 235 PRO HA . 6748 1 1343 . 2 2 10 10 PRO HB2 H 1 1.7700 0.0015 . . . . . . 235 PRO HB1 . 6748 1 1344 . 2 2 10 10 PRO HB3 H 1 2.2000 0.0015 . . . . . . 235 PRO HB2 . 6748 1 1345 . 2 2 10 10 PRO HG2 H 1 1.8450 0.0015 . . . . . . 235 PRO HG1 . 6748 1 1346 . 2 2 10 10 PRO HG3 H 1 1.6980 0.0015 . . . . . . 235 PRO HG2 . 6748 1 1347 . 2 2 10 10 PRO HD2 H 1 4.0000 0.0015 . . . . . . 235 PRO HD1 . 6748 1 1348 . 2 2 10 10 PRO HD3 H 1 3.8300 0.0015 . . . . . . 235 PRO HD2 . 6748 1 1349 . 2 2 10 10 PRO CA C 13 61.6300 0.15 . . . . . . 235 PRO CA . 6748 1 1350 . 2 2 10 10 PRO CB C 13 31.8300 0.15 . . . . . . 235 PRO CB . 6748 1 1351 . 2 2 10 10 PRO CG C 13 26.5500 0.15 . . . . . . 235 PRO CG . 6748 1 1352 . 2 2 10 10 PRO CD C 13 50.6000 0.15 . . . . . . 235 PRO CD . 6748 1 1353 . 2 2 11 11 VAL H H 1 8.0600 0.0015 . . . . . . 236 VAL H . 6748 1 1354 . 2 2 11 11 VAL HA H 1 3.7700 0.0015 . . . . . . 236 VAL HA . 6748 1 1355 . 2 2 11 11 VAL HB H 1 1.9300 0.0015 . . . . . . 236 VAL HB . 6748 1 1356 . 2 2 11 11 VAL HG11 H 1 1.0300 0.0015 . . . . . . 236 VAL HG1 . 6748 1 1357 . 2 2 11 11 VAL HG12 H 1 1.0300 0.0015 . . . . . . 236 VAL HG1 . 6748 1 1358 . 2 2 11 11 VAL HG13 H 1 1.0300 0.0015 . . . . . . 236 VAL HG1 . 6748 1 1359 . 2 2 11 11 VAL HG21 H 1 0.9380 0.0015 . . . . . . 236 VAL HG2 . 6748 1 1360 . 2 2 11 11 VAL HG22 H 1 0.9380 0.0015 . . . . . . 236 VAL HG2 . 6748 1 1361 . 2 2 11 11 VAL HG23 H 1 0.9380 0.0015 . . . . . . 236 VAL HG2 . 6748 1 1362 . 2 2 11 11 VAL CA C 13 62.3000 0.15 . . . . . . 236 VAL CA . 6748 1 1363 . 2 2 11 11 VAL CB C 13 32.3400 0.15 . . . . . . 236 VAL CB . 6748 1 1364 . 2 2 11 11 VAL CG1 C 13 21.6100 0.15 . . . . . . 236 VAL CG1 . 6748 1 1365 . 2 2 11 11 VAL CG2 C 13 21.0000 0.15 . . . . . . 236 VAL CG2 . 6748 1 1366 . 2 2 11 11 VAL N N 15 118.1100 0.15 . . . . . . 236 VAL N . 6748 1 1367 . 2 2 12 12 CYS H H 1 9.2490 0.0015 . . . . . . 237 CYS H . 6748 1 1368 . 2 2 12 12 CYS HA H 1 4.3000 0.0015 . . . . . . 237 CYS HA . 6748 1 1369 . 2 2 12 12 CYS HB2 H 1 2.9500 0.0015 . . . . . . 237 CYS HB1 . 6748 1 1370 . 2 2 12 12 CYS HB3 H 1 2.3400 0.0015 . . . . . . 237 CYS HB2 . 6748 1 1371 . 2 2 12 12 CYS HG H 1 1.84 0.0015 . . . . . . 237 CYS HG . 6748 1 1372 . 2 2 12 12 CYS CA C 13 58.9500 0.15 . . . . . . 237 CYS CA . 6748 1 1373 . 2 2 12 12 CYS CB C 13 26.0800 0.15 . . . . . . 237 CYS CB . 6748 1 1374 . 2 2 12 12 CYS N N 15 127.1000 0.15 . . . . . . 237 CYS N . 6748 1 1375 . 2 2 13 13 THR H H 1 8.3800 0.0015 . . . . . . 238 THR H . 6748 1 1376 . 2 2 13 13 THR HA H 1 4.9440 0.0015 . . . . . . 238 THR HA . 6748 1 1377 . 2 2 13 13 THR HB H 1 4.0010 0.0015 . . . . . . 238 THR HB . 6748 1 1378 . 2 2 13 13 THR HG21 H 1 1.3000 0.0015 . . . . . . 238 THR HG2 . 6748 1 1379 . 2 2 13 13 THR HG22 H 1 1.3000 0.0015 . . . . . . 238 THR HG2 . 6748 1 1380 . 2 2 13 13 THR HG23 H 1 1.3000 0.0015 . . . . . . 238 THR HG2 . 6748 1 1381 . 2 2 13 13 THR CA C 13 59.9800 0.15 . . . . . . 238 THR CA . 6748 1 1382 . 2 2 13 13 THR CG2 C 13 21.2900 0.15 . . . . . . 238 THR CG2 . 6748 1 1383 . 2 2 13 13 THR N N 15 122.1800 0.15 . . . . . . 238 THR N . 6748 1 1384 . 2 2 14 14 PRO HA H 1 4.26 0.0015 . . . . . . 239 PRO HA . 6748 1 1385 . 2 2 14 14 PRO HB2 H 1 2.51 0.0015 . . . . . . 239 PRO HB1 . 6748 1 1386 . 2 2 14 14 PRO HB3 H 1 2.00 0.0015 . . . . . . 239 PRO HB2 . 6748 1 1387 . 2 2 14 14 PRO HG2 H 1 2.22 0.0015 . . . . . . 239 PRO HG1 . 6748 1 1388 . 2 2 14 14 PRO HG3 H 1 1.96 0.0015 . . . . . . 239 PRO HG2 . 6748 1 1389 . 2 2 14 14 PRO HD2 H 1 3.9700 0.0015 . . . . . . 239 PRO HD . 6748 1 1390 . 2 2 14 14 PRO HD3 H 1 3.9700 0.0015 . . . . . . 239 PRO HD . 6748 1 1391 . 2 2 14 14 PRO CA C 13 66.4 0.15 . . . . . . 239 PRO CA . 6748 1 1392 . 2 2 14 14 PRO CD C 13 51.2200 0.15 . . . . . . 239 PRO CD . 6748 1 1393 . 2 2 15 15 THR H H 1 10.1900 0.0015 . . . . . . 240 THR H . 6748 1 1394 . 2 2 15 15 THR HA H 1 4.1100 0.0015 . . . . . . 240 THR HA . 6748 1 1395 . 2 2 15 15 THR HB H 1 4.5240 0.0015 . . . . . . 240 THR HB . 6748 1 1396 . 2 2 15 15 THR HG21 H 1 1.2800 0.0015 . . . . . . 240 THR HG2 . 6748 1 1397 . 2 2 15 15 THR HG22 H 1 1.2800 0.0015 . . . . . . 240 THR HG2 . 6748 1 1398 . 2 2 15 15 THR HG23 H 1 1.2800 0.0015 . . . . . . 240 THR HG2 . 6748 1 1399 . 2 2 15 15 THR CA C 13 66.0000 0.15 . . . . . . 240 THR CA . 6748 1 1400 . 2 2 15 15 THR CB C 13 67.6000 0.15 . . . . . . 240 THR CB . 6748 1 1401 . 2 2 15 15 THR CG2 C 13 21.3800 0.15 . . . . . . 240 THR CG2 . 6748 1 1402 . 2 2 15 15 THR N N 15 114.8900 0.15 . . . . . . 240 THR N . 6748 1 1403 . 2 2 16 16 PHE H H 1 7.9600 0.0015 . . . . . . 241 PHE H . 6748 1 1404 . 2 2 16 16 PHE HA H 1 4.1050 0.0015 . . . . . . 241 PHE HA . 6748 1 1405 . 2 2 16 16 PHE HB2 H 1 3.5200 0.0015 . . . . . . 241 PHE HB1 . 6748 1 1406 . 2 2 16 16 PHE HB3 H 1 3.2600 0.0015 . . . . . . 241 PHE HB2 . 6748 1 1407 . 2 2 16 16 PHE HD1 H 1 7.1800 0.0015 . . . . . . 241 PHE HD . 6748 1 1408 . 2 2 16 16 PHE HD2 H 1 7.1800 0.0015 . . . . . . 241 PHE HD . 6748 1 1409 . 2 2 16 16 PHE HE1 H 1 7.1500 0.0015 . . . . . . 241 PHE HE . 6748 1 1410 . 2 2 16 16 PHE HE2 H 1 7.1500 0.0015 . . . . . . 241 PHE HE . 6748 1 1411 . 2 2 16 16 PHE HZ H 1 7.18 0.0015 . . . . . . 241 PHE HZ . 6748 1 1412 . 2 2 16 16 PHE CA C 13 61.4500 0.15 . . . . . . 241 PHE CA . 6748 1 1413 . 2 2 16 16 PHE CB C 13 39.5500 0.15 . . . . . . 241 PHE CB . 6748 1 1414 . 2 2 16 16 PHE CD1 C 13 132.1300 0.15 . . . . . . 241 PHE CD . 6748 1 1415 . 2 2 16 16 PHE CD2 C 13 132.1300 0.15 . . . . . . 241 PHE CD . 6748 1 1416 . 2 2 16 16 PHE CE1 C 13 128.3000 0.15 . . . . . . 241 PHE CE . 6748 1 1417 . 2 2 16 16 PHE CE2 C 13 128.3000 0.15 . . . . . . 241 PHE CE . 6748 1 1418 . 2 2 16 16 PHE CZ C 13 130.6 0.15 . . . . . . 241 PHE CZ . 6748 1 1419 . 2 2 16 16 PHE N N 15 123.7800 0.15 . . . . . . 241 PHE N . 6748 1 1420 . 2 2 17 17 LEU H H 1 7.3600 0.0015 . . . . . . 242 LEU H . 6748 1 1421 . 2 2 17 17 LEU HA H 1 3.8000 0.0015 . . . . . . 242 LEU HA . 6748 1 1422 . 2 2 17 17 LEU HB2 H 1 1.9600 0.0015 . . . . . . 242 LEU HB1 . 6748 1 1423 . 2 2 17 17 LEU HB3 H 1 1.5200 0.0015 . . . . . . 242 LEU HB2 . 6748 1 1424 . 2 2 17 17 LEU HG H 1 1.7260 0.0015 . . . . . . 242 LEU HG . 6748 1 1425 . 2 2 17 17 LEU HD11 H 1 0.8300 0.0015 . . . . . . 242 LEU HD1 . 6748 1 1426 . 2 2 17 17 LEU HD12 H 1 0.8300 0.0015 . . . . . . 242 LEU HD1 . 6748 1 1427 . 2 2 17 17 LEU HD13 H 1 0.8300 0.0015 . . . . . . 242 LEU HD1 . 6748 1 1428 . 2 2 17 17 LEU HD21 H 1 0.9200 0.0015 . . . . . . 242 LEU HD2 . 6748 1 1429 . 2 2 17 17 LEU HD22 H 1 0.9200 0.0015 . . . . . . 242 LEU HD2 . 6748 1 1430 . 2 2 17 17 LEU HD23 H 1 0.9200 0.0015 . . . . . . 242 LEU HD2 . 6748 1 1431 . 2 2 17 17 LEU CA C 13 57.2500 0.15 . . . . . . 242 LEU CA . 6748 1 1432 . 2 2 17 17 LEU CB C 13 41.2000 0.15 . . . . . . 242 LEU CB . 6748 1 1433 . 2 2 17 17 LEU CG C 13 26.9600 0.15 . . . . . . 242 LEU CG . 6748 1 1434 . 2 2 17 17 LEU CD1 C 13 22.6400 0.15 . . . . . . 242 LEU CD1 . 6748 1 1435 . 2 2 17 17 LEU CD2 C 13 25.3800 0.15 . . . . . . 242 LEU CD2 . 6748 1 1436 . 2 2 17 17 LEU N N 15 116.0000 0.15 . . . . . . 242 LEU N . 6748 1 1437 . 2 2 18 18 GLU H H 1 8.4700 0.0015 . . . . . . 243 GLU H . 6748 1 1438 . 2 2 18 18 GLU HA H 1 4.0030 0.0015 . . . . . . 243 GLU HA . 6748 1 1439 . 2 2 18 18 GLU HB2 H 1 2.1000 0.0015 . . . . . . 243 GLU HB . 6748 1 1440 . 2 2 18 18 GLU HB3 H 1 2.1000 0.0015 . . . . . . 243 GLU HB . 6748 1 1441 . 2 2 18 18 GLU HG2 H 1 2.3580 0.0015 . . . . . . 243 GLU HG1 . 6748 1 1442 . 2 2 18 18 GLU HG3 H 1 2.3250 0.0015 . . . . . . 243 GLU HG2 . 6748 1 1443 . 2 2 18 18 GLU CA C 13 58.9600 0.15 . . . . . . 243 GLU CA . 6748 1 1444 . 2 2 18 18 GLU CB C 13 29.1900 0.15 . . . . . . 243 GLU CB . 6748 1 1445 . 2 2 18 18 GLU CG C 13 35.7300 0.15 . . . . . . 243 GLU CG . 6748 1 1446 . 2 2 18 18 GLU N N 15 120.7100 0.15 . . . . . . 243 GLU N . 6748 1 1447 . 2 2 19 19 ARG H H 1 8.3250 0.0015 . . . . . . 244 ARG H . 6748 1 1448 . 2 2 19 19 ARG HA H 1 4.0260 0.0015 . . . . . . 244 ARG HA . 6748 1 1449 . 2 2 19 19 ARG HB2 H 1 1.8800 0.0015 . . . . . . 244 ARG HB1 . 6748 1 1450 . 2 2 19 19 ARG HB3 H 1 1.7600 0.0015 . . . . . . 244 ARG HB2 . 6748 1 1451 . 2 2 19 19 ARG HG2 H 1 1.7700 0.0015 . . . . . . 244 ARG HG1 . 6748 1 1452 . 2 2 19 19 ARG HG3 H 1 1.5100 0.0015 . . . . . . 244 ARG HG2 . 6748 1 1453 . 2 2 19 19 ARG HD2 H 1 3.1900 0.0015 . . . . . . 244 ARG HD . 6748 1 1454 . 2 2 19 19 ARG HD3 H 1 3.1900 0.0015 . . . . . . 244 ARG HD . 6748 1 1455 . 2 2 19 19 ARG CA C 13 59.1500 0.15 . . . . . . 244 ARG CA . 6748 1 1456 . 2 2 19 19 ARG CB C 13 29.3900 0.15 . . . . . . 244 ARG CB . 6748 1 1457 . 2 2 19 19 ARG CG C 13 27.6500 0.15 . . . . . . 244 ARG CG . 6748 1 1458 . 2 2 19 19 ARG CD C 13 43.1000 0.15 . . . . . . 244 ARG CD . 6748 1 1459 . 2 2 19 19 ARG N N 15 121.0000 0.15 . . . . . . 244 ARG N . 6748 1 1460 . 2 2 20 20 ARG H H 1 7.5200 0.0015 . . . . . . 245 ARG H . 6748 1 1461 . 2 2 20 20 ARG HA H 1 3.6800 0.0015 . . . . . . 245 ARG HA . 6748 1 1462 . 2 2 20 20 ARG HB2 H 1 1.6800 0.0015 . . . . . . 245 ARG HB . 6748 1 1463 . 2 2 20 20 ARG HB3 H 1 1.6800 0.0015 . . . . . . 245 ARG HB . 6748 1 1464 . 2 2 20 20 ARG HD2 H 1 2.7770 0.0015 . . . . . . 245 ARG HD1 . 6748 1 1465 . 2 2 20 20 ARG HD3 H 1 2.4030 0.0015 . . . . . . 245 ARG HD2 . 6748 1 1466 . 2 2 20 20 ARG HE H 1 9.0200 0.0015 . . . . . . 245 ARG HE . 6748 1 1467 . 2 2 20 20 ARG HH11 H 1 8.34 0.0015 . . . . . . 245 ARG HH11 . 6748 1 1468 . 2 2 20 20 ARG HH21 H 1 8.66 0.0015 . . . . . . 245 ARG HH21 . 6748 1 1469 . 2 2 20 20 ARG CA C 13 58.4000 0.15 . . . . . . 245 ARG CA . 6748 1 1470 . 2 2 20 20 ARG CB C 13 29.2000 0.15 . . . . . . 245 ARG CB . 6748 1 1471 . 2 2 20 20 ARG CD C 13 42.2000 0.15 . . . . . . 245 ARG CD . 6748 1 1472 . 2 2 20 20 ARG N N 15 118.7500 0.15 . . . . . . 245 ARG N . 6748 1 1473 . 2 2 20 20 ARG NE N 15 81.0000 0.15 . . . . . . 245 ARG NE . 6748 1 1474 . 2 2 21 21 LYS H H 1 7.8300 0.0015 . . . . . . 246 LYS H . 6748 1 1475 . 2 2 21 21 LYS HA H 1 4.0960 0.0015 . . . . . . 246 LYS HA . 6748 1 1476 . 2 2 21 21 LYS HB2 H 1 1.9100 0.0015 . . . . . . 246 LYS HB1 . 6748 1 1477 . 2 2 21 21 LYS HG2 H 1 1.5990 0.0015 . . . . . . 246 LYS HG1 . 6748 1 1478 . 2 2 21 21 LYS HG3 H 1 1.4380 0.0015 . . . . . . 246 LYS HG2 . 6748 1 1479 . 2 2 21 21 LYS HD2 H 1 1.6950 0.0015 . . . . . . 246 LYS HD . 6748 1 1480 . 2 2 21 21 LYS HD3 H 1 1.6950 0.0015 . . . . . . 246 LYS HD . 6748 1 1481 . 2 2 21 21 LYS HE2 H 1 2.9400 0.0015 . . . . . . 246 LYS HE . 6748 1 1482 . 2 2 21 21 LYS HE3 H 1 2.9400 0.0015 . . . . . . 246 LYS HE . 6748 1 1483 . 2 2 21 21 LYS CA C 13 59.0800 0.15 . . . . . . 246 LYS CA . 6748 1 1484 . 2 2 21 21 LYS CB C 13 32.1500 0.15 . . . . . . 246 LYS CB . 6748 1 1485 . 2 2 21 21 LYS CG C 13 24.8000 0.15 . . . . . . 246 LYS CG . 6748 1 1486 . 2 2 21 21 LYS CD C 13 29.1300 0.15 . . . . . . 246 LYS CD . 6748 1 1487 . 2 2 21 21 LYS N N 15 119.0000 0.15 . . . . . . 246 LYS N . 6748 1 1488 . 2 2 22 22 SER H H 1 8.0000 0.0015 . . . . . . 247 SER H . 6748 1 1489 . 2 2 22 22 SER HA H 1 4.2600 0.0015 . . . . . . 247 SER HA . 6748 1 1490 . 2 2 22 22 SER HB2 H 1 4.0000 0.0015 . . . . . . 247 SER HB . 6748 1 1491 . 2 2 22 22 SER HB3 H 1 4.0000 0.0015 . . . . . . 247 SER HB . 6748 1 1492 . 2 2 22 22 SER CA C 13 60.8500 0.15 . . . . . . 247 SER CA . 6748 1 1493 . 2 2 22 22 SER CB C 13 62.7400 0.15 . . . . . . 247 SER CB . 6748 1 1494 . 2 2 22 22 SER N N 15 115.0000 0.15 . . . . . . 247 SER N . 6748 1 1495 . 2 2 23 23 GLN H H 1 7.5900 0.0015 . . . . . . 248 GLN H . 6748 1 1496 . 2 2 23 23 GLN HA H 1 4.1450 0.0015 . . . . . . 248 GLN HA . 6748 1 1497 . 2 2 23 23 GLN HB2 H 1 2.1600 0.0015 . . . . . . 248 GLN HB1 . 6748 1 1498 . 2 2 23 23 GLN HB3 H 1 2.0700 0.0015 . . . . . . 248 GLN HB2 . 6748 1 1499 . 2 2 23 23 GLN HG2 H 1 2.6100 0.0015 . . . . . . 248 GLN HG1 . 6748 1 1500 . 2 2 23 23 GLN HG3 H 1 2.3900 0.0015 . . . . . . 248 GLN HG2 . 6748 1 1501 . 2 2 23 23 GLN HE21 H 1 7.5800 0.0015 . . . . . . 248 GLN HE21 . 6748 1 1502 . 2 2 23 23 GLN HE22 H 1 6.7700 0.0015 . . . . . . 248 GLN HE22 . 6748 1 1503 . 2 2 23 23 GLN CA C 13 56.8500 0.15 . . . . . . 248 GLN CA . 6748 1 1504 . 2 2 23 23 GLN CB C 13 28.7400 0.15 . . . . . . 248 GLN CB . 6748 1 1505 . 2 2 23 23 GLN CG C 13 33.4500 0.15 . . . . . . 248 GLN CG . 6748 1 1506 . 2 2 23 23 GLN N N 15 119.3000 0.15 . . . . . . 248 GLN N . 6748 1 1507 . 2 2 23 23 GLN NE2 N 15 110.6000 0.15 . . . . . . 248 GLN NE2 . 6748 1 1508 . 2 2 24 24 VAL H H 1 7.4000 0.0015 . . . . . . 249 VAL H . 6748 1 1509 . 2 2 24 24 VAL HA H 1 3.4800 0.0015 . . . . . . 249 VAL HA . 6748 1 1510 . 2 2 24 24 VAL HB H 1 2.1300 0.0015 . . . . . . 249 VAL HB . 6748 1 1511 . 2 2 24 24 VAL HG11 H 1 1.0800 0.0015 . . . . . . 249 VAL HG1 . 6748 1 1512 . 2 2 24 24 VAL HG12 H 1 1.0800 0.0015 . . . . . . 249 VAL HG1 . 6748 1 1513 . 2 2 24 24 VAL HG13 H 1 1.0800 0.0015 . . . . . . 249 VAL HG1 . 6748 1 1514 . 2 2 24 24 VAL HG21 H 1 0.8780 0.0015 . . . . . . 249 VAL HG2 . 6748 1 1515 . 2 2 24 24 VAL HG22 H 1 0.8780 0.0015 . . . . . . 249 VAL HG2 . 6748 1 1516 . 2 2 24 24 VAL HG23 H 1 0.8780 0.0015 . . . . . . 249 VAL HG2 . 6748 1 1517 . 2 2 24 24 VAL CA C 13 65.9401 0.15 . . . . . . 249 VAL CA . 6748 1 1518 . 2 2 24 24 VAL CB C 13 31.5800 0.15 . . . . . . 249 VAL CB . 6748 1 1519 . 2 2 24 24 VAL CG1 C 13 22.8800 0.15 . . . . . . 249 VAL CG1 . 6748 1 1520 . 2 2 24 24 VAL CG2 C 13 21.2500 0.15 . . . . . . 249 VAL CG2 . 6748 1 1521 . 2 2 24 24 VAL N N 15 118.2000 0.15 . . . . . . 249 VAL N . 6748 1 1522 . 2 2 25 25 ALA H H 1 7.7900 0.0015 . . . . . . 250 ALA H . 6748 1 1523 . 2 2 25 25 ALA HA H 1 4.1900 0.0015 . . . . . . 250 ALA HA . 6748 1 1524 . 2 2 25 25 ALA HB1 H 1 1.4770 0.0015 . . . . . . 250 ALA HB . 6748 1 1525 . 2 2 25 25 ALA HB2 H 1 1.4770 0.0015 . . . . . . 250 ALA HB . 6748 1 1526 . 2 2 25 25 ALA HB3 H 1 1.4770 0.0015 . . . . . . 250 ALA HB . 6748 1 1527 . 2 2 25 25 ALA CA C 13 53.8300 0.15 . . . . . . 250 ALA CA . 6748 1 1528 . 2 2 25 25 ALA CB C 13 18.4400 0.15 . . . . . . 250 ALA CB . 6748 1 1529 . 2 2 25 25 ALA N N 15 120.3000 0.15 . . . . . . 250 ALA N . 6748 1 1530 . 2 2 26 26 GLU H H 1 7.6300 0.0015 . . . . . . 251 GLU H . 6748 1 1531 . 2 2 26 26 GLU HA H 1 4.3700 0.0015 . . . . . . 251 GLU HA . 6748 1 1532 . 2 2 26 26 GLU HB2 H 1 2.2490 0.0015 . . . . . . 251 GLU HB1 . 6748 1 1533 . 2 2 26 26 GLU HB3 H 1 1.9530 0.0015 . . . . . . 251 GLU HB2 . 6748 1 1534 . 2 2 26 26 GLU HG2 H 1 2.2700 0.0015 . . . . . . 251 GLU HG . 6748 1 1535 . 2 2 26 26 GLU HG3 H 1 2.2700 0.0015 . . . . . . 251 GLU HG . 6748 1 1536 . 2 2 26 26 GLU CA C 13 55.4700 0.15 . . . . . . 251 GLU CA . 6748 1 1537 . 2 2 26 26 GLU CB C 13 30.1500 0.15 . . . . . . 251 GLU CB . 6748 1 1538 . 2 2 26 26 GLU CG C 13 36.0400 0.15 . . . . . . 251 GLU CG . 6748 1 1539 . 2 2 26 26 GLU N N 15 114.2500 0.15 . . . . . . 251 GLU N . 6748 1 1540 . 2 2 27 27 LEU H H 1 7.4800 0.0015 . . . . . . 252 LEU H . 6748 1 1541 . 2 2 27 27 LEU HA H 1 4.3100 0.0015 . . . . . . 252 LEU HA . 6748 1 1542 . 2 2 27 27 LEU HB2 H 1 1.7700 0.0015 . . . . . . 252 LEU HB1 . 6748 1 1543 . 2 2 27 27 LEU HB3 H 1 1.5100 0.0015 . . . . . . 252 LEU HB2 . 6748 1 1544 . 2 2 27 27 LEU HG H 1 1.8500 0.0015 . . . . . . 252 LEU HG . 6748 1 1545 . 2 2 27 27 LEU HD11 H 1 0.8430 0.0015 . . . . . . 252 LEU HD1 . 6748 1 1546 . 2 2 27 27 LEU HD12 H 1 0.8430 0.0015 . . . . . . 252 LEU HD1 . 6748 1 1547 . 2 2 27 27 LEU HD13 H 1 0.8430 0.0015 . . . . . . 252 LEU HD1 . 6748 1 1548 . 2 2 27 27 LEU HD21 H 1 0.8350 0.0015 . . . . . . 252 LEU HD2 . 6748 1 1549 . 2 2 27 27 LEU HD22 H 1 0.8350 0.0015 . . . . . . 252 LEU HD2 . 6748 1 1550 . 2 2 27 27 LEU HD23 H 1 0.8350 0.0015 . . . . . . 252 LEU HD2 . 6748 1 1551 . 2 2 27 27 LEU CA C 13 54.9100 0.15 . . . . . . 252 LEU CA . 6748 1 1552 . 2 2 27 27 LEU CB C 13 42.1000 0.15 . . . . . . 252 LEU CB . 6748 1 1553 . 2 2 27 27 LEU CG C 13 25.9200 0.15 . . . . . . 252 LEU CG . 6748 1 1554 . 2 2 27 27 LEU CD1 C 13 25.7800 0.15 . . . . . . 252 LEU CD1 . 6748 1 1555 . 2 2 27 27 LEU CD2 C 13 22.6500 0.15 . . . . . . 252 LEU CD2 . 6748 1 1556 . 2 2 27 27 LEU N N 15 120.3000 0.15 . . . . . . 252 LEU N . 6748 1 1557 . 2 2 28 28 ASN H H 1 8.7500 0.0015 . . . . . . 253 ASN H . 6748 1 1558 . 2 2 28 28 ASN HA H 1 4.8520 0.0015 . . . . . . 253 ASN HA . 6748 1 1559 . 2 2 28 28 ASN HB2 H 1 2.8980 0.0015 . . . . . . 253 ASN HB1 . 6748 1 1560 . 2 2 28 28 ASN HB3 H 1 2.8100 0.0015 . . . . . . 253 ASN HB2 . 6748 1 1561 . 2 2 28 28 ASN HD21 H 1 7.7700 0.0015 . . . . . . 253 ASN HD21 . 6748 1 1562 . 2 2 28 28 ASN HD22 H 1 6.9900 0.0015 . . . . . . 253 ASN HD22 . 6748 1 1563 . 2 2 28 28 ASN CA C 13 52.1400 0.15 . . . . . . 253 ASN CA . 6748 1 1564 . 2 2 28 28 ASN CB C 13 39.6400 0.15 . . . . . . 253 ASN CB . 6748 1 1565 . 2 2 28 28 ASN N N 15 120.1000 0.15 . . . . . . 253 ASN N . 6748 1 1566 . 2 2 28 28 ASN ND2 N 15 113.7000 0.15 . . . . . . 253 ASN ND2 . 6748 1 1567 . 2 2 29 29 ASP H H 1 8.8100 0.0015 . . . . . . 254 ASP H . 6748 1 1568 . 2 2 29 29 ASP HA H 1 4.4900 0.0015 . . . . . . 254 ASP HA . 6748 1 1569 . 2 2 29 29 ASP HB2 H 1 2.7040 0.0015 . . . . . . 254 ASP HB1 . 6748 1 1570 . 2 2 29 29 ASP HB3 H 1 2.6050 0.0015 . . . . . . 254 ASP HB2 . 6748 1 1571 . 2 2 29 29 ASP CA C 13 55.8000 0.15 . . . . . . 254 ASP CA . 6748 1 1572 . 2 2 29 29 ASP CB C 13 40.7000 0.15 . . . . . . 254 ASP CB . 6748 1 1573 . 2 2 29 29 ASP N N 15 122.8000 0.15 . . . . . . 254 ASP N . 6748 1 1574 . 2 2 30 30 ASP H H 1 8.3600 0.0015 . . . . . . 255 ASP H . 6748 1 1575 . 2 2 30 30 ASP HA H 1 4.6050 0.0015 . . . . . . 255 ASP HA . 6748 1 1576 . 2 2 30 30 ASP HB2 H 1 2.7000 0.0015 . . . . . . 255 ASP HB1 . 6748 1 1577 . 2 2 30 30 ASP HB3 H 1 2.6400 0.0015 . . . . . . 255 ASP HB2 . 6748 1 1578 . 2 2 30 30 ASP CA C 13 54.2000 0.15 . . . . . . 255 ASP CA . 6748 1 1579 . 2 2 30 30 ASP CB C 13 40.6500 0.15 . . . . . . 255 ASP CB . 6748 1 1580 . 2 2 30 30 ASP N N 15 117.1000 0.15 . . . . . . 255 ASP N . 6748 1 1581 . 2 2 31 31 ASP H H 1 7.7800 0.0015 . . . . . . 256 ASP H . 6748 1 1582 . 2 2 31 31 ASP HA H 1 4.5700 0.0015 . . . . . . 256 ASP HA . 6748 1 1583 . 2 2 31 31 ASP HB2 H 1 2.7900 0.0015 . . . . . . 256 ASP HB1 . 6748 1 1584 . 2 2 31 31 ASP HB3 H 1 2.7400 0.0015 . . . . . . 256 ASP HB2 . 6748 1 1585 . 2 2 31 31 ASP CA C 13 54.7000 0.15 . . . . . . 256 ASP CA . 6748 1 1586 . 2 2 31 31 ASP CB C 13 41.1700 0.15 . . . . . . 256 ASP CB . 6748 1 1587 . 2 2 31 31 ASP N N 15 119.9000 0.15 . . . . . . 256 ASP N . 6748 1 1588 . 2 2 32 32 LYS H H 1 8.5280 0.0015 . . . . . . 257 LYS H . 6748 1 1589 . 2 2 32 32 LYS HA H 1 4.2300 0.0015 . . . . . . 257 LYS HA . 6748 1 1590 . 2 2 32 32 LYS HB2 H 1 1.8200 0.0015 . . . . . . 257 LYS HB . 6748 1 1591 . 2 2 32 32 LYS HB3 H 1 1.8200 0.0015 . . . . . . 257 LYS HB . 6748 1 1592 . 2 2 32 32 LYS HG2 H 1 1.4800 0.0015 . . . . . . 257 LYS HG1 . 6748 1 1593 . 2 2 32 32 LYS HG3 H 1 1.4300 0.0015 . . . . . . 257 LYS HG2 . 6748 1 1594 . 2 2 32 32 LYS HD2 H 1 1.7200 0.0015 . . . . . . 257 LYS HD . 6748 1 1595 . 2 2 32 32 LYS HD3 H 1 1.7200 0.0015 . . . . . . 257 LYS HD . 6748 1 1596 . 2 2 32 32 LYS HE2 H 1 3.0590 0.0015 . . . . . . 257 LYS HE . 6748 1 1597 . 2 2 32 32 LYS HE3 H 1 3.0590 0.0015 . . . . . . 257 LYS HE . 6748 1 1598 . 2 2 32 32 LYS CA C 13 56.2000 0.15 . . . . . . 257 LYS CA . 6748 1 1599 . 2 2 32 32 LYS CB C 13 32.5500 0.15 . . . . . . 257 LYS CB . 6748 1 1600 . 2 2 32 32 LYS CG C 13 24.5000 0.15 . . . . . . 257 LYS CG . 6748 1 1601 . 2 2 32 32 LYS CD C 13 28.9000 0.15 . . . . . . 257 LYS CD . 6748 1 1602 . 2 2 32 32 LYS CE C 13 41.9000 0.15 . . . . . . 257 LYS CE . 6748 1 1603 . 2 2 32 32 LYS N N 15 122.5200 0.15 . . . . . . 257 LYS N . 6748 1 1604 . 2 2 33 33 ASP H H 1 8.7400 0.0015 . . . . . . 258 ASP H . 6748 1 1605 . 2 2 33 33 ASP HA H 1 4.7300 0.0015 . . . . . . 258 ASP HA . 6748 1 1606 . 2 2 33 33 ASP HB2 H 1 3.1000 0.0015 . . . . . . 258 ASP HB1 . 6748 1 1607 . 2 2 33 33 ASP HB3 H 1 2.5400 0.0015 . . . . . . 258 ASP HB2 . 6748 1 1608 . 2 2 33 33 ASP CA C 13 52.8000 0.15 . . . . . . 258 ASP CA . 6748 1 1609 . 2 2 33 33 ASP CB C 13 40.7000 0.15 . . . . . . 258 ASP CB . 6748 1 1610 . 2 2 33 33 ASP N N 15 123.6000 0.15 . . . . . . 258 ASP N . 6748 1 1611 . 2 2 34 34 ASP H H 1 8.5400 0.0015 . . . . . . 259 ASP H . 6748 1 1612 . 2 2 34 34 ASP HA H 1 4.6000 0.0015 . . . . . . 259 ASP HA . 6748 1 1613 . 2 2 34 34 ASP HB2 H 1 2.7400 0.0015 . . . . . . 259 ASP HB1 . 6748 1 1614 . 2 2 34 34 ASP HB3 H 1 2.6700 0.0015 . . . . . . 259 ASP HB2 . 6748 1 1615 . 2 2 34 34 ASP CA C 13 54.3000 0.15 . . . . . . 259 ASP CA . 6748 1 1616 . 2 2 34 34 ASP CB C 13 41.0100 0.15 . . . . . . 259 ASP CB . 6748 1 1617 . 2 2 34 34 ASP N N 15 122.8500 0.15 . . . . . . 259 ASP N . 6748 1 1618 . 2 2 35 35 GLU H H 1 7.9600 0.0015 . . . . . . 260 GLU H . 6748 1 1619 . 2 2 35 35 GLU HA H 1 4.1700 0.0015 . . . . . . 260 GLU HA . 6748 1 1620 . 2 2 35 35 GLU HB2 H 1 2.0800 0.0015 . . . . . . 260 GLU HB1 . 6748 1 1621 . 2 2 35 35 GLU HB3 H 1 1.9800 0.0015 . . . . . . 260 GLU HB2 . 6748 1 1622 . 2 2 35 35 GLU HG2 H 1 2.2700 0.0015 . . . . . . 260 GLU HG1 . 6748 1 1623 . 2 2 35 35 GLU HG3 H 1 2.2300 0.0015 . . . . . . 260 GLU HG2 . 6748 1 1624 . 2 2 35 35 GLU CA C 13 58.0300 0.15 . . . . . . 260 GLU CA . 6748 1 1625 . 2 2 35 35 GLU CB C 13 30.8000 0.15 . . . . . . 260 GLU CB . 6748 1 1626 . 2 2 35 35 GLU CG C 13 36.9000 0.15 . . . . . . 260 GLU CG . 6748 1 1627 . 2 2 35 35 GLU N N 15 116.4000 0.15 . . . . . . 260 GLU N . 6748 1 1628 . 2 2 36 36 ILE H H 1 7.1300 0.0015 . . . . . . 261 ILE H . 6748 1 1629 . 2 2 36 36 ILE HA H 1 5.0300 0.0015 . . . . . . 261 ILE HA . 6748 1 1630 . 2 2 36 36 ILE HB H 1 1.7600 0.0015 . . . . . . 261 ILE HB . 6748 1 1631 . 2 2 36 36 ILE HG12 H 1 1.5020 0.0015 . . . . . . 261 ILE HG11 . 6748 1 1632 . 2 2 36 36 ILE HG13 H 1 1.3300 0.0015 . . . . . . 261 ILE HG12 . 6748 1 1633 . 2 2 36 36 ILE HG21 H 1 0.5900 0.0015 . . . . . . 261 ILE HG2 . 6748 1 1634 . 2 2 36 36 ILE HG22 H 1 0.5900 0.0015 . . . . . . 261 ILE HG2 . 6748 1 1635 . 2 2 36 36 ILE HG23 H 1 0.5900 0.0015 . . . . . . 261 ILE HG2 . 6748 1 1636 . 2 2 36 36 ILE HD11 H 1 0.8230 0.0015 . . . . . . 261 ILE HD1 . 6748 1 1637 . 2 2 36 36 ILE HD12 H 1 0.8230 0.0015 . . . . . . 261 ILE HD1 . 6748 1 1638 . 2 2 36 36 ILE HD13 H 1 0.8230 0.0015 . . . . . . 261 ILE HD1 . 6748 1 1639 . 2 2 36 36 ILE CA C 13 58.4800 0.15 . . . . . . 261 ILE CA . 6748 1 1640 . 2 2 36 36 ILE CB C 13 37.8300 0.15 . . . . . . 261 ILE CB . 6748 1 1641 . 2 2 36 36 ILE CG1 C 13 27.4000 0.15 . . . . . . 261 ILE CG1 . 6748 1 1642 . 2 2 36 36 ILE CG2 C 13 17.9000 0.15 . . . . . . 261 ILE CG2 . 6748 1 1643 . 2 2 36 36 ILE CD1 C 13 12.5000 0.15 . . . . . . 261 ILE CD1 . 6748 1 1644 . 2 2 36 36 ILE N N 15 116.1000 0.15 . . . . . . 261 ILE N . 6748 1 1645 . 2 2 37 37 VAL H H 1 9.1200 0.0015 . . . . . . 262 VAL H . 6748 1 1646 . 2 2 37 37 VAL HA H 1 4.2220 0.0015 . . . . . . 262 VAL HA . 6748 1 1647 . 2 2 37 37 VAL HB H 1 1.8560 0.0015 . . . . . . 262 VAL HB . 6748 1 1648 . 2 2 37 37 VAL HG11 H 1 0.9230 0.0015 . . . . . . 262 VAL HG1 . 6748 1 1649 . 2 2 37 37 VAL HG12 H 1 0.9230 0.0015 . . . . . . 262 VAL HG1 . 6748 1 1650 . 2 2 37 37 VAL HG13 H 1 0.9230 0.0015 . . . . . . 262 VAL HG1 . 6748 1 1651 . 2 2 37 37 VAL HG21 H 1 0.8500 0.0015 . . . . . . 262 VAL HG2 . 6748 1 1652 . 2 2 37 37 VAL HG22 H 1 0.8500 0.0015 . . . . . . 262 VAL HG2 . 6748 1 1653 . 2 2 37 37 VAL HG23 H 1 0.8500 0.0015 . . . . . . 262 VAL HG2 . 6748 1 1654 . 2 2 37 37 VAL CA C 13 60.4000 0.15 . . . . . . 262 VAL CA . 6748 1 1655 . 2 2 37 37 VAL CB C 13 35.1500 0.15 . . . . . . 262 VAL CB . 6748 1 1656 . 2 2 37 37 VAL CG1 C 13 21.1000 0.15 . . . . . . 262 VAL CG1 . 6748 1 1657 . 2 2 37 37 VAL CG2 C 13 20.4000 0.15 . . . . . . 262 VAL CG2 . 6748 1 1658 . 2 2 37 37 VAL N N 15 127.0500 0.15 . . . . . . 262 VAL N . 6748 1 1659 . 2 2 38 38 PHE H H 1 8.8700 0.0015 . . . . . . 263 PHE H . 6748 1 1660 . 2 2 38 38 PHE HA H 1 5.3700 0.0015 . . . . . . 263 PHE HA . 6748 1 1661 . 2 2 38 38 PHE HB2 H 1 3.3600 0.0015 . . . . . . 263 PHE HB1 . 6748 1 1662 . 2 2 38 38 PHE HB3 H 1 3.1600 0.0015 . . . . . . 263 PHE HB2 . 6748 1 1663 . 2 2 38 38 PHE HD1 H 1 7.2100 0.0015 . . . . . . 263 PHE HD . 6748 1 1664 . 2 2 38 38 PHE HD2 H 1 7.2100 0.0015 . . . . . . 263 PHE HD . 6748 1 1665 . 2 2 38 38 PHE HE1 H 1 7.20 0.0015 . . . . . . 263 PHE HE . 6748 1 1666 . 2 2 38 38 PHE HE2 H 1 7.20 0.0015 . . . . . . 263 PHE HE . 6748 1 1667 . 2 2 38 38 PHE HZ H 1 7.3800 0.0015 . . . . . . 263 PHE HZ . 6748 1 1668 . 2 2 38 38 PHE CA C 13 54.1000 0.15 . . . . . . 263 PHE CA . 6748 1 1669 . 2 2 38 38 PHE CB C 13 39.5000 0.15 . . . . . . 263 PHE CB . 6748 1 1670 . 2 2 38 38 PHE CD1 C 13 130.7000 0.15 . . . . . . 263 PHE CD . 6748 1 1671 . 2 2 38 38 PHE CD2 C 13 130.7000 0.15 . . . . . . 263 PHE CD . 6748 1 1672 . 2 2 38 38 PHE CZ C 13 128.9600 0.15 . . . . . . 263 PHE CZ . 6748 1 1673 . 2 2 38 38 PHE N N 15 126.3000 0.15 . . . . . . 263 PHE N . 6748 1 1674 . 2 2 39 39 LYS H H 1 8.9600 0.0015 . . . . . . 264 LYS H . 6748 1 1675 . 2 2 39 39 LYS HA H 1 4.3140 0.0015 . . . . . . 264 LYS HA . 6748 1 1676 . 2 2 39 39 LYS HB2 H 1 2.1380 0.0015 . . . . . . 264 LYS HB1 . 6748 1 1677 . 2 2 39 39 LYS HB3 H 1 2.0220 0.0015 . . . . . . 264 LYS HB2 . 6748 1 1678 . 2 2 39 39 LYS HG2 H 1 1.5800 0.0015 . . . . . . 264 LYS HG1 . 6748 1 1679 . 2 2 39 39 LYS HG3 H 1 1.4500 0.0015 . . . . . . 264 LYS HG2 . 6748 1 1680 . 2 2 39 39 LYS HD2 H 1 1.6770 0.0015 . . . . . . 264 LYS HD . 6748 1 1681 . 2 2 39 39 LYS HD3 H 1 1.6770 0.0015 . . . . . . 264 LYS HD . 6748 1 1682 . 2 2 39 39 LYS HE2 H 1 2.9200 0.0015 . . . . . . 264 LYS HE1 . 6748 1 1683 . 2 2 39 39 LYS HE3 H 1 3.01 0.0015 . . . . . . 264 LYS HE2 . 6748 1 1684 . 2 2 39 39 LYS CA C 13 57.2000 0.15 . . . . . . 264 LYS CA . 6748 1 1685 . 2 2 39 39 LYS CB C 13 33.2500 0.15 . . . . . . 264 LYS CB . 6748 1 1686 . 2 2 39 39 LYS CG C 13 24.7600 0.15 . . . . . . 264 LYS CG . 6748 1 1687 . 2 2 39 39 LYS CD C 13 29.2000 0.15 . . . . . . 264 LYS CD . 6748 1 1688 . 2 2 39 39 LYS CE C 13 41.9000 0.15 . . . . . . 264 LYS CE . 6748 1 1689 . 2 2 39 39 LYS N N 15 126.0000 0.15 . . . . . . 264 LYS N . 6748 1 1690 . 2 2 40 40 GLN H H 1 8.6200 0.0015 . . . . . . 265 GLN H . 6748 1 1691 . 2 2 40 40 GLN HA H 1 4.6970 0.0015 . . . . . . 265 GLN HA . 6748 1 1692 . 2 2 40 40 GLN HB2 H 1 2.1400 0.0015 . . . . . . 265 GLN HB1 . 6748 1 1693 . 2 2 40 40 GLN HB3 H 1 2.0000 0.0015 . . . . . . 265 GLN HB2 . 6748 1 1694 . 2 2 40 40 GLN HG2 H 1 2.4800 0.0015 . . . . . . 265 GLN HG . 6748 1 1695 . 2 2 40 40 GLN HG3 H 1 2.4800 0.0015 . . . . . . 265 GLN HG . 6748 1 1696 . 2 2 40 40 GLN HE21 H 1 7.6000 0.0015 . . . . . . 265 GLN HE21 . 6748 1 1697 . 2 2 40 40 GLN HE22 H 1 6.9400 0.0015 . . . . . . 265 GLN HE22 . 6748 1 1698 . 2 2 40 40 GLN CA C 13 53.3800 0.15 . . . . . . 265 GLN CA . 6748 1 1699 . 2 2 40 40 GLN CB C 13 28.8500 0.15 . . . . . . 265 GLN CB . 6748 1 1700 . 2 2 40 40 GLN CG C 13 33.3900 0.15 . . . . . . 265 GLN CG . 6748 1 1701 . 2 2 40 40 GLN N N 15 123.5400 0.15 . . . . . . 265 GLN N . 6748 1 1702 . 2 2 40 40 GLN NE2 N 15 112.0000 0.15 . . . . . . 265 GLN NE2 . 6748 1 1703 . 2 2 41 41 PRO HA H 1 4.5400 0.0015 . . . . . . 266 PRO HA . 6748 1 1704 . 2 2 41 41 PRO HB2 H 1 2.3200 0.0015 . . . . . . 266 PRO HB1 . 6748 1 1705 . 2 2 41 41 PRO HB3 H 1 1.9300 0.0015 . . . . . . 266 PRO HB2 . 6748 1 1706 . 2 2 41 41 PRO HG2 H 1 2.02 0.0015 . . . . . . 266 PRO HG1 . 6748 1 1707 . 2 2 41 41 PRO HD2 H 1 3.8820 0.0015 . . . . . . 266 PRO HD1 . 6748 1 1708 . 2 2 41 41 PRO HD3 H 1 3.6540 0.0015 . . . . . . 266 PRO HD2 . 6748 1 1709 . 2 2 41 41 PRO CA C 13 62.7000 0.15 . . . . . . 266 PRO CA . 6748 1 1710 . 2 2 41 41 PRO CB C 13 32.0000 0.15 . . . . . . 266 PRO CB . 6748 1 1711 . 2 2 41 41 PRO CG C 13 27.6 0.15 . . . . . . 266 PRO CG . 6748 1 1712 . 2 2 41 41 PRO CD C 13 50.5300 0.15 . . . . . . 266 PRO CD . 6748 1 1713 . 2 2 42 42 ILE H H 1 8.3500 0.0015 . . . . . . 267 ILE H . 6748 1 1714 . 2 2 42 42 ILE HA H 1 4.1900 0.0015 . . . . . . 267 ILE HA . 6748 1 1715 . 2 2 42 42 ILE HB H 1 1.8980 0.0015 . . . . . . 267 ILE HB . 6748 1 1716 . 2 2 42 42 ILE HG12 H 1 1.5100 0.0015 . . . . . . 267 ILE HG11 . 6748 1 1717 . 2 2 42 42 ILE HG13 H 1 1.2500 0.0015 . . . . . . 267 ILE HG12 . 6748 1 1718 . 2 2 42 42 ILE HG21 H 1 0.9310 0.0015 . . . . . . 267 ILE HG2 . 6748 1 1719 . 2 2 42 42 ILE HG22 H 1 0.9310 0.0015 . . . . . . 267 ILE HG2 . 6748 1 1720 . 2 2 42 42 ILE HG23 H 1 0.9310 0.0015 . . . . . . 267 ILE HG2 . 6748 1 1721 . 2 2 42 42 ILE HD11 H 1 0.8300 0.0015 . . . . . . 267 ILE HD1 . 6748 1 1722 . 2 2 42 42 ILE HD12 H 1 0.8300 0.0015 . . . . . . 267 ILE HD1 . 6748 1 1723 . 2 2 42 42 ILE HD13 H 1 0.8300 0.0015 . . . . . . 267 ILE HD1 . 6748 1 1724 . 2 2 42 42 ILE CA C 13 61.0500 0.15 . . . . . . 267 ILE CA . 6748 1 1725 . 2 2 42 42 ILE CB C 13 38.5500 0.15 . . . . . . 267 ILE CB . 6748 1 1726 . 2 2 42 42 ILE CG1 C 13 27.0900 0.15 . . . . . . 267 ILE CG1 . 6748 1 1727 . 2 2 42 42 ILE CG2 C 13 17.5700 0.15 . . . . . . 267 ILE CG2 . 6748 1 1728 . 2 2 42 42 ILE CD1 C 13 12.7600 0.15 . . . . . . 267 ILE CD1 . 6748 1 1729 . 2 2 42 42 ILE N N 15 120.7900 0.15 . . . . . . 267 ILE N . 6748 1 1730 . 2 2 43 43 SER H H 1 8.4100 0.0015 . . . . . . 268 SER H . 6748 1 1731 . 2 2 43 43 SER HA H 1 4.4800 0.0015 . . . . . . 268 SER HA . 6748 1 1732 . 2 2 43 43 SER HB2 H 1 3.8950 0.0015 . . . . . . 268 SER HB1 . 6748 1 1733 . 2 2 43 43 SER HB3 H 1 3.8440 0.0015 . . . . . . 268 SER HB2 . 6748 1 1734 . 2 2 43 43 SER CA C 13 58.0300 0.15 . . . . . . 268 SER CA . 6748 1 1735 . 2 2 43 43 SER CB C 13 63.6000 0.15 . . . . . . 268 SER CB . 6748 1 1736 . 2 2 43 43 SER N N 15 118.9000 0.15 . . . . . . 268 SER N . 6748 1 1737 . 2 2 44 44 CYS H H 1 8.4280 0.0015 . . . . . . 269 CYS H . 6748 1 1738 . 2 2 44 44 CYS HA H 1 4.5230 0.0015 . . . . . . 269 CYS HA . 6748 1 1739 . 2 2 44 44 CYS HB2 H 1 2.9270 0.0015 . . . . . . 269 CYS HB . 6748 1 1740 . 2 2 44 44 CYS HB3 H 1 2.9270 0.0015 . . . . . . 269 CYS HB . 6748 1 1741 . 2 2 44 44 CYS CA C 13 58.3600 0.15 . . . . . . 269 CYS CA . 6748 1 1742 . 2 2 44 44 CYS CB C 13 27.8000 0.15 . . . . . . 269 CYS CB . 6748 1 1743 . 2 2 44 44 CYS N N 15 121.4400 0.15 . . . . . . 269 CYS N . 6748 1 stop_ save_