data_17354 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17354 _Entry.Title ; high calcium androcam ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-12-08 _Entry.Accession_date 2010-12-08 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'chemical shifts of androcam at high calcium' _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 Mehul Joshi . K. . 17354 2 Sean Moran . T. . 17354 3 Kevin MacKenzie . R. . 17354 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17354 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 587 17354 '15N chemical shifts' 162 17354 '1H chemical shifts' 1038 17354 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-14 2010-12-08 update BMRB 'update entry citation' 17354 1 . . 2012-07-25 2010-12-08 original author 'original release' 17354 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17353 'high calcium androcam' 17354 PDB 2LMV 'BMRB Entry Tracking System' 17354 stop_ save_ ############### # Citations # ############### save_high_calcium_androcam _Citation.Sf_category citations _Citation.Sf_framecode high_calcium_androcam _Citation.Entry_ID 17354 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22706934 _Citation.Full_citation . _Citation.Title 'H, 15N and 13C chemical shifts of the D. melanogaster myosin VI light chain androcam in high calcium.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 7 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 171 _Citation.Page_last 174 _Citation.Year 2013 _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 Mehul Joshi . K. . 17354 1 2 Sean Moran . . . 17354 1 3 Kevin MacKenzie . R. . 17354 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17354 _Assembly.ID 1 _Assembly.Name 'high calcium androcam' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17095.06 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 androcam 1 $androcam A . yes native no no . . . 17354 1 2 'calcium ions' 2 $CA A . no native no no . . . 17354 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_androcam _Entity.Sf_category entity _Entity.Sf_framecode androcam _Entity.Entry_ID 17354 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name androcam _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 ; MSELTEEQIAEFKDAFVQFD KEGTGKIATRELGTLMRTLG QNPTEAELQDLIAEAENNNN GQLNFTEFCGIMAKQMRETD TEEEMREAFKIFDRDGDGFI SPAELRFVMINLGEKVTDEE IDEMIREADFDGDGMINYEE FVWMISQK ; _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 148 _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 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17353 . androcam . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 2 no PDB 2LMT . "Nmr Structure Of Androcam" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 3 no PDB 2LMU . "Androcam At High Calcium" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 4 no PDB 2LMV . "Androcam At High Calcium With Three Explicit Ca2+" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 5 no EMBL CAA53630 . "calmodulin related [Drosophila melanogaster]" . . . . . 100.00 148 99.32 100.00 1.51e-99 . . . . 17354 1 6 no GB AAF56511 . "androcam, isoform A [Drosophila melanogaster]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 7 no GB AAL48405 . "AT11556p [Drosophila melanogaster]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 8 no GB ACL87451 . "And-PA, partial [synthetic construct]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 9 no GB ACL91891 . "And-PA [synthetic construct]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 10 no GB ACZ95031 . "androcam, isoform B [Drosophila melanogaster]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 11 no PRF 2021248D . "calmodulin-related protein" . . . . . 100.00 148 99.32 100.00 1.51e-99 . . . . 17354 1 12 no REF NP_001163737 . "androcam, isoform B [Drosophila melanogaster]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 13 no REF NP_476988 . "androcam, isoform A [Drosophila melanogaster]" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 14 no REF XP_001981747 . "GG11425 [Drosophila erecta]" . . . . . 100.00 148 97.30 100.00 1.45e-97 . . . . 17354 1 15 no REF XP_002041300 . "GM10265 [Drosophila sechellia]" . . . . . 100.00 148 99.32 100.00 2.88e-99 . . . . 17354 1 16 no REF XP_002098987 . "GE23620 [Drosophila yakuba]" . . . . . 100.00 148 97.30 100.00 1.25e-97 . . . . 17354 1 17 no SP P49258 . "RecName: Full=Calmodulin-related protein 97A; AltName: Full=Protein androcam" . . . . . 100.00 148 100.00 100.00 6.74e-100 . . . . 17354 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Spermatogenesis in Drosophila' 17354 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 . 17354 1 2 . SER . 17354 1 3 . GLU . 17354 1 4 . LEU . 17354 1 5 . THR . 17354 1 6 . GLU . 17354 1 7 . GLU . 17354 1 8 . GLN . 17354 1 9 . ILE . 17354 1 10 . ALA . 17354 1 11 . GLU . 17354 1 12 . PHE . 17354 1 13 . LYS . 17354 1 14 . ASP . 17354 1 15 . ALA . 17354 1 16 . PHE . 17354 1 17 . VAL . 17354 1 18 . GLN . 17354 1 19 . PHE . 17354 1 20 . ASP . 17354 1 21 . LYS . 17354 1 22 . GLU . 17354 1 23 . GLY . 17354 1 24 . THR . 17354 1 25 . GLY . 17354 1 26 . LYS . 17354 1 27 . ILE . 17354 1 28 . ALA . 17354 1 29 . THR . 17354 1 30 . ARG . 17354 1 31 . GLU . 17354 1 32 . LEU . 17354 1 33 . GLY . 17354 1 34 . THR . 17354 1 35 . LEU . 17354 1 36 . MET . 17354 1 37 . ARG . 17354 1 38 . THR . 17354 1 39 . LEU . 17354 1 40 . GLY . 17354 1 41 . GLN . 17354 1 42 . ASN . 17354 1 43 . PRO . 17354 1 44 . THR . 17354 1 45 . GLU . 17354 1 46 . ALA . 17354 1 47 . GLU . 17354 1 48 . LEU . 17354 1 49 . GLN . 17354 1 50 . ASP . 17354 1 51 . LEU . 17354 1 52 . ILE . 17354 1 53 . ALA . 17354 1 54 . GLU . 17354 1 55 . ALA . 17354 1 56 . GLU . 17354 1 57 . ASN . 17354 1 58 . ASN . 17354 1 59 . ASN . 17354 1 60 . ASN . 17354 1 61 . GLY . 17354 1 62 . GLN . 17354 1 63 . LEU . 17354 1 64 . ASN . 17354 1 65 . PHE . 17354 1 66 . THR . 17354 1 67 . GLU . 17354 1 68 . PHE . 17354 1 69 . CYS . 17354 1 70 . GLY . 17354 1 71 . ILE . 17354 1 72 . MET . 17354 1 73 . ALA . 17354 1 74 . LYS . 17354 1 75 . GLN . 17354 1 76 . MET . 17354 1 77 . ARG . 17354 1 78 . GLU . 17354 1 79 . THR . 17354 1 80 . ASP . 17354 1 81 . THR . 17354 1 82 . GLU . 17354 1 83 . GLU . 17354 1 84 . GLU . 17354 1 85 . MET . 17354 1 86 . ARG . 17354 1 87 . GLU . 17354 1 88 . ALA . 17354 1 89 . PHE . 17354 1 90 . LYS . 17354 1 91 . ILE . 17354 1 92 . PHE . 17354 1 93 . ASP . 17354 1 94 . ARG . 17354 1 95 . ASP . 17354 1 96 . GLY . 17354 1 97 . ASP . 17354 1 98 . GLY . 17354 1 99 . PHE . 17354 1 100 . ILE . 17354 1 101 . SER . 17354 1 102 . PRO . 17354 1 103 . ALA . 17354 1 104 . GLU . 17354 1 105 . LEU . 17354 1 106 . ARG . 17354 1 107 . PHE . 17354 1 108 . VAL . 17354 1 109 . MET . 17354 1 110 . ILE . 17354 1 111 . ASN . 17354 1 112 . LEU . 17354 1 113 . GLY . 17354 1 114 . GLU . 17354 1 115 . LYS . 17354 1 116 . VAL . 17354 1 117 . THR . 17354 1 118 . ASP . 17354 1 119 . GLU . 17354 1 120 . GLU . 17354 1 121 . ILE . 17354 1 122 . ASP . 17354 1 123 . GLU . 17354 1 124 . MET . 17354 1 125 . ILE . 17354 1 126 . ARG . 17354 1 127 . GLU . 17354 1 128 . ALA . 17354 1 129 . ASP . 17354 1 130 . PHE . 17354 1 131 . ASP . 17354 1 132 . GLY . 17354 1 133 . ASP . 17354 1 134 . GLY . 17354 1 135 . MET . 17354 1 136 . ILE . 17354 1 137 . ASN . 17354 1 138 . TYR . 17354 1 139 . GLU . 17354 1 140 . GLU . 17354 1 141 . PHE . 17354 1 142 . VAL . 17354 1 143 . TRP . 17354 1 144 . MET . 17354 1 145 . ILE . 17354 1 146 . SER . 17354 1 147 . GLN . 17354 1 148 . LYS . 17354 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 17354 1 . SER 2 2 17354 1 . GLU 3 3 17354 1 . LEU 4 4 17354 1 . THR 5 5 17354 1 . GLU 6 6 17354 1 . GLU 7 7 17354 1 . GLN 8 8 17354 1 . ILE 9 9 17354 1 . ALA 10 10 17354 1 . GLU 11 11 17354 1 . PHE 12 12 17354 1 . LYS 13 13 17354 1 . ASP 14 14 17354 1 . ALA 15 15 17354 1 . PHE 16 16 17354 1 . VAL 17 17 17354 1 . GLN 18 18 17354 1 . PHE 19 19 17354 1 . ASP 20 20 17354 1 . LYS 21 21 17354 1 . GLU 22 22 17354 1 . GLY 23 23 17354 1 . THR 24 24 17354 1 . GLY 25 25 17354 1 . LYS 26 26 17354 1 . ILE 27 27 17354 1 . ALA 28 28 17354 1 . THR 29 29 17354 1 . ARG 30 30 17354 1 . GLU 31 31 17354 1 . LEU 32 32 17354 1 . GLY 33 33 17354 1 . THR 34 34 17354 1 . LEU 35 35 17354 1 . MET 36 36 17354 1 . ARG 37 37 17354 1 . THR 38 38 17354 1 . LEU 39 39 17354 1 . GLY 40 40 17354 1 . GLN 41 41 17354 1 . ASN 42 42 17354 1 . PRO 43 43 17354 1 . THR 44 44 17354 1 . GLU 45 45 17354 1 . ALA 46 46 17354 1 . GLU 47 47 17354 1 . LEU 48 48 17354 1 . GLN 49 49 17354 1 . ASP 50 50 17354 1 . LEU 51 51 17354 1 . ILE 52 52 17354 1 . ALA 53 53 17354 1 . GLU 54 54 17354 1 . ALA 55 55 17354 1 . GLU 56 56 17354 1 . ASN 57 57 17354 1 . ASN 58 58 17354 1 . ASN 59 59 17354 1 . ASN 60 60 17354 1 . GLY 61 61 17354 1 . GLN 62 62 17354 1 . LEU 63 63 17354 1 . ASN 64 64 17354 1 . PHE 65 65 17354 1 . THR 66 66 17354 1 . GLU 67 67 17354 1 . PHE 68 68 17354 1 . CYS 69 69 17354 1 . GLY 70 70 17354 1 . ILE 71 71 17354 1 . MET 72 72 17354 1 . ALA 73 73 17354 1 . LYS 74 74 17354 1 . GLN 75 75 17354 1 . MET 76 76 17354 1 . ARG 77 77 17354 1 . GLU 78 78 17354 1 . THR 79 79 17354 1 . ASP 80 80 17354 1 . THR 81 81 17354 1 . GLU 82 82 17354 1 . GLU 83 83 17354 1 . GLU 84 84 17354 1 . MET 85 85 17354 1 . ARG 86 86 17354 1 . GLU 87 87 17354 1 . ALA 88 88 17354 1 . PHE 89 89 17354 1 . LYS 90 90 17354 1 . ILE 91 91 17354 1 . PHE 92 92 17354 1 . ASP 93 93 17354 1 . ARG 94 94 17354 1 . ASP 95 95 17354 1 . GLY 96 96 17354 1 . ASP 97 97 17354 1 . GLY 98 98 17354 1 . PHE 99 99 17354 1 . ILE 100 100 17354 1 . SER 101 101 17354 1 . PRO 102 102 17354 1 . ALA 103 103 17354 1 . GLU 104 104 17354 1 . LEU 105 105 17354 1 . ARG 106 106 17354 1 . PHE 107 107 17354 1 . VAL 108 108 17354 1 . MET 109 109 17354 1 . ILE 110 110 17354 1 . ASN 111 111 17354 1 . LEU 112 112 17354 1 . GLY 113 113 17354 1 . GLU 114 114 17354 1 . LYS 115 115 17354 1 . VAL 116 116 17354 1 . THR 117 117 17354 1 . ASP 118 118 17354 1 . GLU 119 119 17354 1 . GLU 120 120 17354 1 . ILE 121 121 17354 1 . ASP 122 122 17354 1 . GLU 123 123 17354 1 . MET 124 124 17354 1 . ILE 125 125 17354 1 . ARG 126 126 17354 1 . GLU 127 127 17354 1 . ALA 128 128 17354 1 . ASP 129 129 17354 1 . PHE 130 130 17354 1 . ASP 131 131 17354 1 . GLY 132 132 17354 1 . ASP 133 133 17354 1 . GLY 134 134 17354 1 . MET 135 135 17354 1 . ILE 136 136 17354 1 . ASN 137 137 17354 1 . TYR 138 138 17354 1 . GLU 139 139 17354 1 . GLU 140 140 17354 1 . PHE 141 141 17354 1 . VAL 142 142 17354 1 . TRP 143 143 17354 1 . MET 144 144 17354 1 . ILE 145 145 17354 1 . SER 146 146 17354 1 . GLN 147 147 17354 1 . LYS 148 148 17354 1 stop_ save_ save_CA _Entity.Sf_category entity _Entity.Sf_framecode CA _Entity.Entry_ID 17354 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CA _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _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 . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CA _Entity.Nonpolymer_comp_label $chem_comp_CA _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_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 . CA . 17354 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 17354 _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 $androcam . 7227 organism . 'Drosophila melanogaster' 'Fruit fly' . . Eukaryota Metazoa Drosophila melanogaster . . . . . . . . . . . . . . . . Androcam . . . . 17354 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 17354 _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 $androcam . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . . . . 17354 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_CA _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CA _Chem_comp.Entry_ID 17354 _Chem_comp.ID CA _Chem_comp.Provenance . _Chem_comp.Name 'CALCIUM ION' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CA _Chem_comp.Ambiguous_flag no _Chem_comp.Initial_date 1999-07-08 _Chem_comp.Modified_date 2011-06-04 _Chem_comp.Release_status REL _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CA _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 2 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula Ca _Chem_comp.Formula_weight 40.078 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Dec 6 14:46:49 2011 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID BHPQYMZQTOCNFJ-UHFFFAOYSA-N InChIKey InChI 1.03 17354 CA [Ca++] SMILES CACTVS 3.341 17354 CA [Ca++] SMILES_CANONICAL CACTVS 3.341 17354 CA [Ca+2] SMILES ACDLabs 10.04 17354 CA [Ca+2] SMILES 'OpenEye OEToolkits' 1.5.0 17354 CA [Ca+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 17354 CA InChI=1S/Ca/q+2 InChI InChI 1.03 17354 CA stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID calcium 'SYSTEMATIC NAME' ACDLabs 10.04 17354 CA 'calcium(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 17354 CA stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID CA . CA . . CA . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 17354 CA stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17354 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 androcam '[U-100% 13C; U-100% 15N]' . . 1 $androcam . . 1.8 . . mM . . . . 17354 1 2 'Calcium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17354 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17354 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17354 1 5 'potassium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 17354 1 6 TRIS 'natural abundance' . . . . . . 10 . . mM . . . . 17354 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 17354 1 8 TSP 'natural abundance' . . . . . . 0.1 . . mM . . . . 17354 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17354 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 17354 1 pH 7.4 . pH 17354 1 pressure 1 . atm 17354 1 temperature 273 . K 17354 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17354 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17354 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17354 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17354 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17354 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17354 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17354 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17354 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17354 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17354 1 2 spectrometer_2 Varian INOVA . 600 . . . 17354 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17354 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 5 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 7 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 8 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 10 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17354 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_hiCa_acam_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode hiCa_acam_chem_shift_ref _Chem_shift_reference.Entry_ID 17354 _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 TSP 'methyl protons' . . . . ppm -0.015 internal indirect 0.251449530 . . . . . . . . . 17354 1 H 1 TSP 'methyl protons' . . . . ppm -0.015 internal direct 1 . . . . . . . . . 17354 1 N 15 TSP 'methyl protons' . . . . ppm -0.015 internal indirect 0.101329118 . . . . . . . . . 17354 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_hiCa_acam-shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode hiCa_acam-shifts _Assigned_chem_shift_list.Entry_ID 17354 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $hiCa_acam_chem_shift_ref _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 17354 1 2 '3D HNCO' . . . 17354 1 3 '3D CBCA(CO)NH' . . . 17354 1 4 '2D 1H-13C HSQC aliphatic' . . . 17354 1 5 '3D HCCH-COSY' . . . 17354 1 6 '3D HCCH-TOCSY' . . . 17354 1 7 '2D 1H-13C HSQC aromatic' . . . 17354 1 8 '3D HCACO' . . . 17354 1 10 '3D HNCACB' . . . 17354 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 2 2 SER HA H 1 4.350 0.004 . 1 . . . . 2 S HA . 17354 1 2 . 1 1 2 2 SER HB2 H 1 3.802 0.010 . . . . . . 2 S HB# . 17354 1 3 . 1 1 2 2 SER HB3 H 1 3.802 0.010 . . . . . . 2 S HB# . 17354 1 4 . 1 1 2 2 SER C C 13 174.594 0.000 . 1 . . . . 2 S C . 17354 1 5 . 1 1 2 2 SER CA C 13 58.789 0.030 . 1 . . . . 2 S CA . 17354 1 6 . 1 1 2 2 SER CB C 13 63.907 0.007 . 1 . . . . 2 S CB . 17354 1 7 . 1 1 3 3 GLU H H 1 8.570 0.002 . 1 . . . . 3 E HN . 17354 1 8 . 1 1 3 3 GLU HA H 1 4.285 0.002 . 1 . . . . 3 E HA . 17354 1 9 . 1 1 3 3 GLU HB2 H 1 1.887 0.000 . 2 . . . . 3 E HB2 . 17354 1 10 . 1 1 3 3 GLU HB3 H 1 2.053 0.000 . 2 . . . . 3 E HB3 . 17354 1 11 . 1 1 3 3 GLU HG2 H 1 2.230 0.000 . 2 . . . . 3 E HG2 . 17354 1 12 . 1 1 3 3 GLU HG3 H 1 2.260 0.000 . 2 . . . . 3 E HG3 . 17354 1 13 . 1 1 3 3 GLU C C 13 176.217 0.000 . 1 . . . . 3 E C . 17354 1 14 . 1 1 3 3 GLU CA C 13 56.483 0.034 . 1 . . . . 3 E CA . 17354 1 15 . 1 1 3 3 GLU CB C 13 30.333 0.000 . 1 . . . . 3 E CB . 17354 1 16 . 1 1 3 3 GLU CG C 13 36.333 0.000 . 1 . . . . 3 E CG . 17354 1 17 . 1 1 3 3 GLU N N 15 121.800 0.009 . 1 . . . . 3 E N . 17354 1 18 . 1 1 4 4 LEU H H 1 8.191 0.003 . 1 . . . . 4 L HN . 17354 1 19 . 1 1 4 4 LEU HA H 1 4.584 0.001 . 1 . . . . 4 L HA . 17354 1 20 . 1 1 4 4 LEU HB2 H 1 1.658 0.000 . 2 . . . . 4 L HB2 . 17354 1 21 . 1 1 4 4 LEU HB3 H 1 1.282 0.000 . 2 . . . . 4 L HB3 . 17354 1 22 . 1 1 4 4 LEU HG H 1 1.673 0.001 . 1 . . . . 4 L HG . 17354 1 23 . 1 1 4 4 LEU HD11 H 1 0.883 0.002 . . . . . . 4 L HD1# . 17354 1 24 . 1 1 4 4 LEU HD12 H 1 0.883 0.002 . . . . . . 4 L HD1# . 17354 1 25 . 1 1 4 4 LEU HD13 H 1 0.883 0.002 . . . . . . 4 L HD1# . 17354 1 26 . 1 1 4 4 LEU HD21 H 1 0.820 0.001 . . . . . . 4 L HD2# . 17354 1 27 . 1 1 4 4 LEU HD22 H 1 0.820 0.001 . . . . . . 4 L HD2# . 17354 1 28 . 1 1 4 4 LEU HD23 H 1 0.820 0.001 . . . . . . 4 L HD2# . 17354 1 29 . 1 1 4 4 LEU C C 13 177.556 0.000 . 1 . . . . 4 L C . 17354 1 30 . 1 1 4 4 LEU CA C 13 54.191 0.024 . 1 . . . . 4 L CA . 17354 1 31 . 1 1 4 4 LEU CB C 13 43.394 0.000 . 1 . . . . 4 L CB . 17354 1 32 . 1 1 4 4 LEU CG C 13 27.083 0.000 . 1 . . . . 4 L CG . 17354 1 33 . 1 1 4 4 LEU CD1 C 13 26.473 0.025 . 2 . . . . 4 L CD1 . 17354 1 34 . 1 1 4 4 LEU CD2 C 13 23.483 0.018 . 2 . . . . 4 L CD2 . 17354 1 35 . 1 1 4 4 LEU N N 15 121.220 0.032 . 1 . . . . 4 L N . 17354 1 36 . 1 1 5 5 THR H H 1 8.746 0.003 . 1 . . . . 5 T HN . 17354 1 37 . 1 1 5 5 THR HA H 1 4.416 0.011 . 1 . . . . 5 T HA . 17354 1 38 . 1 1 5 5 THR HB H 1 4.738 0.007 . 1 . . . . 5 T HB . 17354 1 39 . 1 1 5 5 THR HG21 H 1 1.286 0.009 . . . . . . 5 T HG2# . 17354 1 40 . 1 1 5 5 THR HG22 H 1 1.286 0.009 . . . . . . 5 T HG2# . 17354 1 41 . 1 1 5 5 THR HG23 H 1 1.286 0.009 . . . . . . 5 T HG2# . 17354 1 42 . 1 1 5 5 THR C C 13 175.156 0.000 . 1 . . . . 5 T C . 17354 1 43 . 1 1 5 5 THR CA C 13 60.274 0.021 . 1 . . . . 5 T CA . 17354 1 44 . 1 1 5 5 THR CB C 13 71.158 0.021 . 1 . . . . 5 T CB . 17354 1 45 . 1 1 5 5 THR CG2 C 13 21.943 0.006 . 1 . . . . 5 T CG2 . 17354 1 46 . 1 1 5 5 THR N N 15 113.450 0.020 . 1 . . . . 5 T N . 17354 1 47 . 1 1 6 6 GLU H H 1 8.983 0.002 . 1 . . . . 6 E HN . 17354 1 48 . 1 1 6 6 GLU HA H 1 3.901 0.002 . 1 . . . . 6 E HA . 17354 1 49 . 1 1 6 6 GLU HB2 H 1 2.010 0.000 . . . . . . 6 E HB# . 17354 1 50 . 1 1 6 6 GLU HB3 H 1 2.010 0.000 . . . . . . 6 E HB# . 17354 1 51 . 1 1 6 6 GLU HG2 H 1 2.305 0.000 . 2 . . . . 6 E HG2 . 17354 1 52 . 1 1 6 6 GLU HG3 H 1 2.371 0.000 . 2 . . . . 6 E HG3 . 17354 1 53 . 1 1 6 6 GLU C C 13 179.256 0.000 . 1 . . . . 6 E C . 17354 1 54 . 1 1 6 6 GLU CA C 13 59.883 0.034 . 1 . . . . 6 E CA . 17354 1 55 . 1 1 6 6 GLU CB C 13 29.312 0.000 . 1 . . . . 6 E CB . 17354 1 56 . 1 1 6 6 GLU CG C 13 36.363 0.000 . 1 . . . . 6 E CG . 17354 1 57 . 1 1 6 6 GLU N N 15 120.330 0.009 . 1 . . . . 6 E N . 17354 1 58 . 1 1 7 7 GLU H H 1 8.640 0.002 . 1 . . . . 7 E HN . 17354 1 59 . 1 1 7 7 GLU HA H 1 4.023 0.002 . 1 . . . . 7 E HA . 17354 1 60 . 1 1 7 7 GLU HB2 H 1 1.901 0.000 . 2 . . . . 7 E HB2 . 17354 1 61 . 1 1 7 7 GLU HB3 H 1 2.003 0.000 . 2 . . . . 7 E HB3 . 17354 1 62 . 1 1 7 7 GLU HG2 H 1 2.330 0.000 . 2 . . . . 7 E HG2 . 17354 1 63 . 1 1 7 7 GLU HG3 H 1 2.408 0.000 . 2 . . . . 7 E HG3 . 17354 1 64 . 1 1 7 7 GLU C C 13 179.056 0.000 . 1 . . . . 7 E C . 17354 1 65 . 1 1 7 7 GLU CA C 13 60.144 0.034 . 1 . . . . 7 E CA . 17354 1 66 . 1 1 7 7 GLU CB C 13 28.952 0.000 . 1 . . . . 7 E CB . 17354 1 67 . 1 1 7 7 GLU CG C 13 36.913 0.000 . 1 . . . . 7 E CG . 17354 1 68 . 1 1 7 7 GLU N N 15 119.440 0.009 . 1 . . . . 7 E N . 17354 1 69 . 1 1 8 8 GLN H H 1 7.669 0.002 . 1 . . . . 8 Q HN . 17354 1 70 . 1 1 8 8 GLN HA H 1 3.749 0.002 . 1 . . . . 8 Q HA . 17354 1 71 . 1 1 8 8 GLN HB2 H 1 1.175 0.000 . 2 . . . . 8 Q HB2 . 17354 1 72 . 1 1 8 8 GLN HB3 H 1 2.143 0.000 . 2 . . . . 8 Q HB3 . 17354 1 73 . 1 1 8 8 GLN HG2 H 1 2.185 0.000 . 2 . . . . 8 Q HG2 . 17354 1 74 . 1 1 8 8 GLN HG3 H 1 2.256 0.000 . 2 . . . . 8 Q HG3 . 17354 1 75 . 1 1 8 8 GLN HE21 H 1 6.650 0.003 . 2 . . . . 8 Q HE21 . 17354 1 76 . 1 1 8 8 GLN HE22 H 1 7.610 0.003 . 2 . . . . 8 Q HE22 . 17354 1 77 . 1 1 8 8 GLN C C 13 177.056 0.000 . 1 . . . . 8 Q C . 17354 1 78 . 1 1 8 8 GLN CA C 13 58.649 0.038 . 1 . . . . 8 Q CA . 17354 1 79 . 1 1 8 8 GLN CB C 13 29.103 0.000 . 1 . . . . 8 Q CB . 17354 1 80 . 1 1 8 8 GLN CG C 13 34.813 0.000 . 1 . . . . 8 Q CG . 17354 1 81 . 1 1 8 8 GLN N N 15 120.660 0.018 . 1 . . . . 8 Q N . 17354 1 82 . 1 1 8 8 GLN NE2 N 15 111.000 0.003 . 1 . . . . 8 Q NE2 . 17354 1 83 . 1 1 9 9 ILE H H 1 8.088 0.003 . 1 . . . . 9 I HN . 17354 1 84 . 1 1 9 9 ILE HA H 1 3.373 0.001 . 1 . . . . 9 I HA . 17354 1 85 . 1 1 9 9 ILE HB H 1 1.829 0.000 . 1 . . . . 9 I HB . 17354 1 86 . 1 1 9 9 ILE HG12 H 1 0.998 0.000 . 2 . . . . 9 I HG12 . 17354 1 87 . 1 1 9 9 ILE HG13 H 1 1.609 0.000 . 2 . . . . 9 I HG13 . 17354 1 88 . 1 1 9 9 ILE HG21 H 1 1.109 0.002 . . . . . . 9 I HG2# . 17354 1 89 . 1 1 9 9 ILE HG22 H 1 1.109 0.002 . . . . . . 9 I HG2# . 17354 1 90 . 1 1 9 9 ILE HG23 H 1 1.109 0.002 . . . . . . 9 I HG2# . 17354 1 91 . 1 1 9 9 ILE HD11 H 1 0.759 0.002 . . . . . . 9 I HD1# . 17354 1 92 . 1 1 9 9 ILE HD12 H 1 0.759 0.002 . . . . . . 9 I HD1# . 17354 1 93 . 1 1 9 9 ILE HD13 H 1 0.759 0.002 . . . . . . 9 I HD1# . 17354 1 94 . 1 1 9 9 ILE C C 13 177.656 0.000 . 1 . . . . 9 I C . 17354 1 95 . 1 1 9 9 ILE CA C 13 65.743 0.000 . 1 . . . . 9 I CA . 17354 1 96 . 1 1 9 9 ILE CB C 13 37.613 0.000 . 1 . . . . 9 I CB . 17354 1 97 . 1 1 9 9 ILE CG1 C 13 30.083 0.000 . 1 . . . . 9 I CG1 . 17354 1 98 . 1 1 9 9 ILE CG2 C 13 17.573 0.016 . 1 . . . . 9 I CG2 . 17354 1 99 . 1 1 9 9 ILE CD1 C 13 12.700 0.005 . 1 . . . . 9 I CD1 . 17354 1 100 . 1 1 9 9 ILE N N 15 118.140 0.060 . 1 . . . . 9 I N . 17354 1 101 . 1 1 10 10 ALA H H 1 7.840 0.003 . 1 . . . . 10 A HN . 17354 1 102 . 1 1 10 10 ALA HA H 1 4.107 0.002 . 1 . . . . 10 A HA . 17354 1 103 . 1 1 10 10 ALA HB1 H 1 1.476 0.000 . . . . . . 10 A HB# . 17354 1 104 . 1 1 10 10 ALA HB2 H 1 1.476 0.000 . . . . . . 10 A HB# . 17354 1 105 . 1 1 10 10 ALA HB3 H 1 1.476 0.000 . . . . . . 10 A HB# . 17354 1 106 . 1 1 10 10 ALA C C 13 180.256 0.000 . 1 . . . . 10 A C . 17354 1 107 . 1 1 10 10 ALA CA C 13 55.373 0.018 . 1 . . . . 10 A CA . 17354 1 108 . 1 1 10 10 ALA CB C 13 18.013 0.000 . 1 . . . . 10 A CB . 17354 1 109 . 1 1 10 10 ALA N N 15 120.750 0.022 . 1 . . . . 10 A N . 17354 1 110 . 1 1 11 11 GLU H H 1 7.715 0.002 . 1 . . . . 11 E HN . 17354 1 111 . 1 1 11 11 GLU HA H 1 4.162 0.002 . 1 . . . . 11 E HA . 17354 1 112 . 1 1 11 11 GLU HB2 H 1 2.151 0.000 . . . . . . 11 E HB# . 17354 1 113 . 1 1 11 11 GLU HB3 H 1 2.151 0.000 . . . . . . 11 E HB# . 17354 1 114 . 1 1 11 11 GLU HG2 H 1 2.288 0.000 . 2 . . . . 11 E HG2 . 17354 1 115 . 1 1 11 11 GLU HG3 H 1 2.477 0.000 . 2 . . . . 11 E HG3 . 17354 1 116 . 1 1 11 11 GLU C C 13 180.256 0.000 . 1 . . . . 11 E C . 17354 1 117 . 1 1 11 11 GLU CA C 13 59.305 0.034 . 1 . . . . 11 E CA . 17354 1 118 . 1 1 11 11 GLU CB C 13 29.475 0.000 . 1 . . . . 11 E CB . 17354 1 119 . 1 1 11 11 GLU CG C 13 36.203 0.000 . 1 . . . . 11 E CG . 17354 1 120 . 1 1 11 11 GLU N N 15 119.800 0.009 . 1 . . . . 11 E N . 17354 1 121 . 1 1 12 12 PHE H H 1 9.044 0.006 . 1 . . . . 12 F HN . 17354 1 122 . 1 1 12 12 PHE HA H 1 4.902 0.009 . 1 . . . . 12 F HA . 17354 1 123 . 1 1 12 12 PHE HB2 H 1 3.582 0.011 . 2 . . . . 12 F HB2 . 17354 1 124 . 1 1 12 12 PHE HB3 H 1 3.922 0.012 . 2 . . . . 12 F HB3 . 17354 1 125 . 1 1 12 12 PHE HD1 H 1 7.210 0.011 . . . . . . 12 F HD# . 17354 1 126 . 1 1 12 12 PHE HD2 H 1 7.210 0.011 . . . . . . 12 F HD# . 17354 1 127 . 1 1 12 12 PHE HE1 H 1 7.300 0.012 . . . . . . 12 F HE# . 17354 1 128 . 1 1 12 12 PHE HE2 H 1 7.300 0.012 . . . . . . 12 F HE# . 17354 1 129 . 1 1 12 12 PHE HZ H 1 7.130 0.700 . 1 . . . . 12 F HZ . 17354 1 130 . 1 1 12 12 PHE C C 13 178.356 0.000 . 1 . . . . 12 F C . 17354 1 131 . 1 1 12 12 PHE CA C 13 57.609 0.024 . 1 . . . . 12 F CA . 17354 1 132 . 1 1 12 12 PHE CB C 13 36.605 0.008 . 1 . . . . 12 F CB . 17354 1 133 . 1 1 12 12 PHE N N 15 120.270 0.027 . 1 . . . . 12 F N . 17354 1 134 . 1 1 13 13 LYS H H 1 9.142 0.002 . 1 . . . . 13 K HN . 17354 1 135 . 1 1 13 13 LYS HA H 1 3.702 0.007 . 1 . . . . 13 K HA . 17354 1 136 . 1 1 13 13 LYS HB2 H 1 1.650 0.000 . 2 . . . . 13 K HB2 . 17354 1 137 . 1 1 13 13 LYS HB3 H 1 1.932 0.000 . 2 . . . . 13 K HB3 . 17354 1 138 . 1 1 13 13 LYS HG2 H 1 0.778 0.000 . 2 . . . . 13 K HG2 . 17354 1 139 . 1 1 13 13 LYS HG3 H 1 1.176 0.000 . 2 . . . . 13 K HG3 . 17354 1 140 . 1 1 13 13 LYS HD2 H 1 1.051 0.000 . 2 . . . . 13 K HD2 . 17354 1 141 . 1 1 13 13 LYS HD3 H 1 1.201 0.000 . 2 . . . . 13 K HD3 . 17354 1 142 . 1 1 13 13 LYS HE2 H 1 2.514 0.000 . . . . . . 13 K HE# . 17354 1 143 . 1 1 13 13 LYS HE3 H 1 2.514 0.000 . . . . . . 13 K HE# . 17354 1 144 . 1 1 13 13 LYS C C 13 177.456 0.000 . 1 . . . . 13 K C . 17354 1 145 . 1 1 13 13 LYS CA C 13 59.831 0.045 . 1 . . . . 13 K CA . 17354 1 146 . 1 1 13 13 LYS CB C 13 31.423 0.045 . 1 . . . . 13 K CB . 17354 1 147 . 1 1 13 13 LYS CG C 13 24.253 0.000 . 1 . . . . 13 K CG . 17354 1 148 . 1 1 13 13 LYS CD C 13 28.203 0.000 . 1 . . . . 13 K CD . 17354 1 149 . 1 1 13 13 LYS CE C 13 41.623 0.000 . 1 . . . . 13 K CE . 17354 1 150 . 1 1 13 13 LYS N N 15 122.780 0.039 . 1 . . . . 13 K N . 17354 1 151 . 1 1 14 14 ASP H H 1 7.796 0.000 . 1 . . . . 14 D HN . 17354 1 152 . 1 1 14 14 ASP HA H 1 4.403 0.000 . 1 . . . . 14 D HA . 17354 1 153 . 1 1 14 14 ASP HB2 H 1 2.704 0.000 . 2 . . . . 14 D HB2 . 17354 1 154 . 1 1 14 14 ASP HB3 H 1 2.800 0.000 . 2 . . . . 14 D HB3 . 17354 1 155 . 1 1 14 14 ASP C C 13 178.256 0.000 . 1 . . . . 14 D C . 17354 1 156 . 1 1 14 14 ASP CA C 13 57.276 0.000 . 1 . . . . 14 D CA . 17354 1 157 . 1 1 14 14 ASP CB C 13 40.776 0.000 . 1 . . . . 14 D CB . 17354 1 158 . 1 1 14 14 ASP N N 15 117.883 0.000 . 1 . . . . 14 D N . 17354 1 159 . 1 1 15 15 ALA H H 1 7.548 0.003 . 1 . . . . 15 A HN . 17354 1 160 . 1 1 15 15 ALA HA H 1 4.358 0.002 . 1 . . . . 15 A HA . 17354 1 161 . 1 1 15 15 ALA HB1 H 1 1.636 0.000 . . . . . . 15 A HB# . 17354 1 162 . 1 1 15 15 ALA HB2 H 1 1.636 0.000 . . . . . . 15 A HB# . 17354 1 163 . 1 1 15 15 ALA HB3 H 1 1.636 0.000 . . . . . . 15 A HB# . 17354 1 164 . 1 1 15 15 ALA C C 13 178.856 0.000 . 1 . . . . 15 A C . 17354 1 165 . 1 1 15 15 ALA CA C 13 54.802 0.018 . 1 . . . . 15 A CA . 17354 1 166 . 1 1 15 15 ALA CB C 13 19.595 0.000 . 1 . . . . 15 A CB . 17354 1 167 . 1 1 15 15 ALA N N 15 120.106 0.022 . 1 . . . . 15 A N . 17354 1 168 . 1 1 16 16 PHE H H 1 8.883 0.006 . 1 . . . . 16 F HN . 17354 1 169 . 1 1 16 16 PHE HA H 1 3.777 0.009 . 1 . . . . 16 F HA . 17354 1 170 . 1 1 16 16 PHE HB2 H 1 3.130 0.011 . 2 . . . . 16 F HB2 . 17354 1 171 . 1 1 16 16 PHE HB3 H 1 3.374 0.012 . 2 . . . . 16 F HB3 . 17354 1 172 . 1 1 16 16 PHE HD1 H 1 6.730 0.011 . . . . . . 16 F HD# . 17354 1 173 . 1 1 16 16 PHE HD2 H 1 6.730 0.011 . . . . . . 16 F HD# . 17354 1 174 . 1 1 16 16 PHE HE1 H 1 6.940 0.012 . . . . . . 16 F HE# . 17354 1 175 . 1 1 16 16 PHE HE2 H 1 6.940 0.012 . . . . . . 16 F HE# . 17354 1 176 . 1 1 16 16 PHE HZ H 1 7.130 0.700 . 1 . . . . 16 F HZ . 17354 1 177 . 1 1 16 16 PHE C C 13 177.696 0.000 . 1 . . . . 16 F C . 17354 1 178 . 1 1 16 16 PHE CA C 13 62.349 0.024 . 1 . . . . 16 F CA . 17354 1 179 . 1 1 16 16 PHE CB C 13 41.010 0.008 . 1 . . . . 16 F CB . 17354 1 180 . 1 1 16 16 PHE N N 15 120.427 0.027 . 1 . . . . 16 F N . 17354 1 181 . 1 1 17 17 VAL H H 1 8.535 0.003 . 1 . . . . 17 V HN . 17354 1 182 . 1 1 17 17 VAL HA H 1 3.886 0.005 . 1 . . . . 17 V HA . 17354 1 183 . 1 1 17 17 VAL HB H 1 2.340 0.006 . 1 . . . . 17 V HB . 17354 1 184 . 1 1 17 17 VAL HG11 H 1 1.092 0.004 . . . . . . 17 V HG1# . 17354 1 185 . 1 1 17 17 VAL HG12 H 1 1.092 0.004 . . . . . . 17 V HG1# . 17354 1 186 . 1 1 17 17 VAL HG13 H 1 1.092 0.004 . . . . . . 17 V HG1# . 17354 1 187 . 1 1 17 17 VAL HG21 H 1 1.137 0.006 . . . . . . 17 V HG2# . 17354 1 188 . 1 1 17 17 VAL HG22 H 1 1.137 0.006 . . . . . . 17 V HG2# . 17354 1 189 . 1 1 17 17 VAL HG23 H 1 1.137 0.006 . . . . . . 17 V HG2# . 17354 1 190 . 1 1 17 17 VAL C C 13 178.356 0.000 . 1 . . . . 17 V C . 17354 1 191 . 1 1 17 17 VAL CA C 13 65.439 0.032 . 1 . . . . 17 V CA . 17354 1 192 . 1 1 17 17 VAL CB C 13 31.690 0.038 . 1 . . . . 17 V CB . 17354 1 193 . 1 1 17 17 VAL CG1 C 13 21.132 0.015 . 2 . . . . 17 V CG1 . 17354 1 194 . 1 1 17 17 VAL CG2 C 13 21.273 0.021 . 2 . . . . 17 V CG2 . 17354 1 195 . 1 1 17 17 VAL N N 15 113.296 0.011 . 1 . . . . 17 V N . 17354 1 196 . 1 1 18 18 GLN H H 1 7.398 0.002 . 1 . . . . 18 Q HN . 17354 1 197 . 1 1 18 18 GLN HA H 1 3.934 0.002 . 1 . . . . 18 Q HA . 17354 1 198 . 1 1 18 18 GLN HB2 H 1 2.081 0.000 . 2 . . . . 18 Q HB2 . 17354 1 199 . 1 1 18 18 GLN HB3 H 1 1.963 0.000 . 2 . . . . 18 Q HB3 . 17354 1 200 . 1 1 18 18 GLN HG2 H 1 2.387 0.000 . 2 . . . . 18 Q HG2 . 17354 1 201 . 1 1 18 18 GLN HG3 H 1 2.489 0.000 . 2 . . . . 18 Q HG3 . 17354 1 202 . 1 1 18 18 GLN HE21 H 1 6.800 0.003 . 2 . . . . 18 Q HE21 . 17354 1 203 . 1 1 18 18 GLN HE22 H 1 7.390 0.003 . 2 . . . . 18 Q HE22 . 17354 1 204 . 1 1 18 18 GLN C C 13 176.856 0.000 . 1 . . . . 18 Q C . 17354 1 205 . 1 1 18 18 GLN CA C 13 57.764 0.038 . 1 . . . . 18 Q CA . 17354 1 206 . 1 1 18 18 GLN CB C 13 27.934 0.000 . 1 . . . . 18 Q CB . 17354 1 207 . 1 1 18 18 GLN CG C 13 33.773 0.000 . 1 . . . . 18 Q CG . 17354 1 208 . 1 1 18 18 GLN N N 15 117.748 0.018 . 1 . . . . 18 Q N . 17354 1 209 . 1 1 18 18 GLN NE2 N 15 112.900 0.003 . 1 . . . . 18 Q NE2 . 17354 1 210 . 1 1 19 19 PHE H H 1 7.675 0.006 . 1 . . . . 19 F HN . 17354 1 211 . 1 1 19 19 PHE HA H 1 4.248 0.009 . 1 . . . . 19 F HA . 17354 1 212 . 1 1 19 19 PHE HB2 H 1 2.667 0.011 . 2 . . . . 19 F HB2 . 17354 1 213 . 1 1 19 19 PHE HB3 H 1 3.038 0.012 . 2 . . . . 19 F HB3 . 17354 1 214 . 1 1 19 19 PHE HD1 H 1 7.300 0.011 . . . . . . 19 F HD# . 17354 1 215 . 1 1 19 19 PHE HD2 H 1 7.300 0.011 . . . . . . 19 F HD# . 17354 1 216 . 1 1 19 19 PHE HE1 H 1 7.300 0.012 . . . . . . 19 F HE# . 17354 1 217 . 1 1 19 19 PHE HE2 H 1 7.300 0.012 . . . . . . 19 F HE# . 17354 1 218 . 1 1 19 19 PHE HZ H 1 7.130 0.700 . 1 . . . . 19 F HZ . 17354 1 219 . 1 1 19 19 PHE C C 13 174.756 0.000 . 1 . . . . 19 F C . 17354 1 220 . 1 1 19 19 PHE CA C 13 58.755 0.024 . 1 . . . . 19 F CA . 17354 1 221 . 1 1 19 19 PHE CB C 13 39.756 0.008 . 1 . . . . 19 F CB . 17354 1 222 . 1 1 19 19 PHE N N 15 116.384 0.027 . 1 . . . . 19 F N . 17354 1 223 . 1 1 20 20 ASP H H 1 7.491 0.000 . 1 . . . . 20 D HN . 17354 1 224 . 1 1 20 20 ASP HA H 1 4.911 0.000 . 1 . . . . 20 D HA . 17354 1 225 . 1 1 20 20 ASP HB2 H 1 2.104 0.000 . 2 . . . . 20 D HB2 . 17354 1 226 . 1 1 20 20 ASP HB3 H 1 2.726 0.000 . 2 . . . . 20 D HB3 . 17354 1 227 . 1 1 20 20 ASP C C 13 176.656 0.000 . 1 . . . . 20 D C . 17354 1 228 . 1 1 20 20 ASP CA C 13 52.223 0.000 . 1 . . . . 20 D CA . 17354 1 229 . 1 1 20 20 ASP CB C 13 39.834 0.000 . 1 . . . . 20 D CB . 17354 1 230 . 1 1 20 20 ASP N N 15 122.660 0.000 . 1 . . . . 20 D N . 17354 1 231 . 1 1 21 21 LYS H H 1 8.052 0.002 . 1 . . . . 21 K HN . 17354 1 232 . 1 1 21 21 LYS HA H 1 4.028 0.007 . 1 . . . . 21 K HA . 17354 1 233 . 1 1 21 21 LYS HB2 H 1 1.841 0.000 . . . . . . 21 K HB# . 17354 1 234 . 1 1 21 21 LYS HB3 H 1 1.841 0.000 . . . . . . 21 K HB# . 17354 1 235 . 1 1 21 21 LYS HG2 H 1 1.417 0.000 . 2 . . . . 21 K HG2 . 17354 1 236 . 1 1 21 21 LYS HG3 H 1 1.458 0.000 . 2 . . . . 21 K HG3 . 17354 1 237 . 1 1 21 21 LYS HD2 H 1 1.646 0.000 . 2 . . . . 21 K HD2 . 17354 1 238 . 1 1 21 21 LYS HD3 H 1 1.658 0.000 . 2 . . . . 21 K HD3 . 17354 1 239 . 1 1 21 21 LYS HE2 H 1 2.980 0.000 . . . . . . 21 K HE# . 17354 1 240 . 1 1 21 21 LYS HE3 H 1 2.980 0.000 . . . . . . 21 K HE# . 17354 1 241 . 1 1 21 21 LYS C C 13 178.456 0.000 . 1 . . . . 21 K C . 17354 1 242 . 1 1 21 21 LYS CA C 13 58.715 0.045 . 1 . . . . 21 K CA . 17354 1 243 . 1 1 21 21 LYS CB C 13 32.225 0.045 . 1 . . . . 21 K CB . 17354 1 244 . 1 1 21 21 LYS CG C 13 25.053 0.000 . 1 . . . . 21 K CG . 17354 1 245 . 1 1 21 21 LYS CD C 13 28.733 0.000 . 1 . . . . 21 K CD . 17354 1 246 . 1 1 21 21 LYS CE C 13 42.133 0.000 . 1 . . . . 21 K CE . 17354 1 247 . 1 1 21 21 LYS N N 15 122.892 0.039 . 1 . . . . 21 K N . 17354 1 248 . 1 1 22 22 GLU H H 1 8.744 0.002 . 1 . . . . 22 E HN . 17354 1 249 . 1 1 22 22 GLU HA H 1 4.382 0.002 . 1 . . . . 22 E HA . 17354 1 250 . 1 1 22 22 GLU HB2 H 1 2.035 0.000 . 2 . . . . 22 E HB2 . 17354 1 251 . 1 1 22 22 GLU HB3 H 1 2.242 0.000 . 2 . . . . 22 E HB3 . 17354 1 252 . 1 1 22 22 GLU HG2 H 1 2.242 0.000 . 2 . . . . 22 E HG2 . 17354 1 253 . 1 1 22 22 GLU HG3 H 1 2.286 0.000 . 2 . . . . 22 E HG3 . 17354 1 254 . 1 1 22 22 GLU C C 13 177.056 0.000 . 1 . . . . 22 E C . 17354 1 255 . 1 1 22 22 GLU CA C 13 56.209 0.034 . 1 . . . . 22 E CA . 17354 1 256 . 1 1 22 22 GLU CB C 13 30.080 0.000 . 1 . . . . 22 E CB . 17354 1 257 . 1 1 22 22 GLU CG C 13 36.883 0.000 . 1 . . . . 22 E CG . 17354 1 258 . 1 1 22 22 GLU N N 15 115.632 0.009 . 1 . . . . 22 E N . 17354 1 259 . 1 1 23 23 GLY H H 1 7.948 0.002 . 1 . . . . 23 G HN . 17354 1 260 . 1 1 23 23 GLY HA2 H 1 3.920 0.010 . . . . . . 23 G HA1 . 17354 1 261 . 1 1 23 23 GLY HA3 H 1 3.870 0.011 . 2 . . . . 23 G HA2 . 17354 1 262 . 1 1 23 23 GLY C C 13 175.956 0.000 . 1 . . . . 23 G C . 17354 1 263 . 1 1 23 23 GLY CA C 13 47.403 0.047 . 1 . . . . 23 G CA . 17354 1 264 . 1 1 23 23 GLY N N 15 110.267 0.008 . 1 . . . . 23 G N . 17354 1 265 . 1 1 24 24 THR H H 1 9.292 0.003 . 1 . . . . 24 T HN . 17354 1 266 . 1 1 24 24 THR HA H 1 4.305 0.011 . 1 . . . . 24 T HA . 17354 1 267 . 1 1 24 24 THR HB H 1 4.347 0.007 . 1 . . . . 24 T HB . 17354 1 268 . 1 1 24 24 THR HG21 H 1 1.202 0.009 . . . . . . 24 T HG2# . 17354 1 269 . 1 1 24 24 THR HG22 H 1 1.202 0.009 . . . . . . 24 T HG2# . 17354 1 270 . 1 1 24 24 THR HG23 H 1 1.202 0.009 . . . . . . 24 T HG2# . 17354 1 271 . 1 1 24 24 THR C C 13 176.656 0.000 . 1 . . . . 24 T C . 17354 1 272 . 1 1 24 24 THR CA C 13 62.270 0.021 . 1 . . . . 24 T CA . 17354 1 273 . 1 1 24 24 THR CB C 13 70.669 0.021 . 1 . . . . 24 T CB . 17354 1 274 . 1 1 24 24 THR CG2 C 13 22.173 0.006 . 1 . . . . 24 T CG2 . 17354 1 275 . 1 1 24 24 THR N N 15 113.026 0.020 . 1 . . . . 24 T N . 17354 1 276 . 1 1 25 25 GLY H H 1 10.734 0.002 . 1 . . . . 25 G HN . 17354 1 277 . 1 1 25 25 GLY HA2 H 1 3.788 0.010 . . . . . . 25 G HA1 . 17354 1 278 . 1 1 25 25 GLY HA3 H 1 4.336 0.011 . 2 . . . . 25 G HA2 . 17354 1 279 . 1 1 25 25 GLY C C 13 173.456 0.000 . 1 . . . . 25 G C . 17354 1 280 . 1 1 25 25 GLY CA C 13 45.443 0.047 . 1 . . . . 25 G CA . 17354 1 281 . 1 1 25 25 GLY N N 15 115.218 0.008 . 1 . . . . 25 G N . 17354 1 282 . 1 1 26 26 LYS H H 1 7.734 0.002 . 1 . . . . 26 K HN . 17354 1 283 . 1 1 26 26 LYS HA H 1 5.417 0.007 . 1 . . . . 26 K HA . 17354 1 284 . 1 1 26 26 LYS HB2 H 1 1.577 0.000 . 2 . . . . 26 K HB2 . 17354 1 285 . 1 1 26 26 LYS HB3 H 1 1.515 0.000 . 2 . . . . 26 K HB3 . 17354 1 286 . 1 1 26 26 LYS HG2 H 1 1.219 0.000 . 2 . . . . 26 K HG2 . 17354 1 287 . 1 1 26 26 LYS HG3 H 1 1.316 0.000 . 2 . . . . 26 K HG3 . 17354 1 288 . 1 1 26 26 LYS HD2 H 1 1.458 0.000 . 2 . . . . 26 K HD2 . 17354 1 289 . 1 1 26 26 LYS HD3 H 1 1.587 0.000 . 2 . . . . 26 K HD3 . 17354 1 290 . 1 1 26 26 LYS HE2 H 1 2.961 0.000 . . . . . . 26 K HE# . 17354 1 291 . 1 1 26 26 LYS HE3 H 1 2.961 0.000 . . . . . . 26 K HE# . 17354 1 292 . 1 1 26 26 LYS C C 13 174.456 0.000 . 1 . . . . 26 K C . 17354 1 293 . 1 1 26 26 LYS CA C 13 54.659 0.045 . 1 . . . . 26 K CA . 17354 1 294 . 1 1 26 26 LYS CB C 13 37.040 0.045 . 1 . . . . 26 K CB . 17354 1 295 . 1 1 26 26 LYS CG C 13 25.163 0.000 . 1 . . . . 26 K CG . 17354 1 296 . 1 1 26 26 LYS CD C 13 29.463 0.045 . 1 . . . . 26 K CD . 17354 1 297 . 1 1 26 26 LYS CE C 13 42.383 0.045 . 1 . . . . 26 K CE . 17354 1 298 . 1 1 26 26 LYS N N 15 118.720 0.039 . 1 . . . . 26 K N . 17354 1 299 . 1 1 27 27 ILE H H 1 8.526 0.003 . 1 . . . . 27 I HN . 17354 1 300 . 1 1 27 27 ILE HA H 1 4.525 0.001 . 1 . . . . 27 I HA . 17354 1 301 . 1 1 27 27 ILE HB H 1 1.561 0.000 . 1 . . . . 27 I HB . 17354 1 302 . 1 1 27 27 ILE HG12 H 1 0.751 0.000 . 2 . . . . 27 I HG12 . 17354 1 303 . 1 1 27 27 ILE HG13 H 1 1.117 0.000 . 2 . . . . 27 I HG13 . 17354 1 304 . 1 1 27 27 ILE HG21 H 1 -0.040 0.002 . . . . . . 27 I HG2# . 17354 1 305 . 1 1 27 27 ILE HG22 H 1 -0.040 0.002 . . . . . . 27 I HG2# . 17354 1 306 . 1 1 27 27 ILE HG23 H 1 -0.040 0.002 . . . . . . 27 I HG2# . 17354 1 307 . 1 1 27 27 ILE HD11 H 1 0.270 0.002 . . . . . . 27 I HD1# . 17354 1 308 . 1 1 27 27 ILE HD12 H 1 0.270 0.002 . . . . . . 27 I HD1# . 17354 1 309 . 1 1 27 27 ILE HD13 H 1 0.270 0.002 . . . . . . 27 I HD1# . 17354 1 310 . 1 1 27 27 ILE C C 13 174.856 0.000 . 1 . . . . 27 I C . 17354 1 311 . 1 1 27 27 ILE CA C 13 58.316 0.000 . 1 . . . . 27 I CA . 17354 1 312 . 1 1 27 27 ILE CB C 13 41.608 0.000 . 1 . . . . 27 I CB . 17354 1 313 . 1 1 27 27 ILE CG1 C 13 25.343 0.000 . 1 . . . . 27 I CG1 . 17354 1 314 . 1 1 27 27 ILE CG2 C 13 17.583 0.016 . 1 . . . . 27 I CG2 . 17354 1 315 . 1 1 27 27 ILE CD1 C 13 14.563 0.005 . 1 . . . . 27 I CD1 . 17354 1 316 . 1 1 27 27 ILE N N 15 111.513 0.060 . 1 . . . . 27 I N . 17354 1 317 . 1 1 28 28 ALA H H 1 8.681 0.003 . 1 . . . . 28 A HN . 17354 1 318 . 1 1 28 28 ALA HA H 1 4.803 0.002 . 1 . . . . 28 A HA . 17354 1 319 . 1 1 28 28 ALA HB1 H 1 1.546 0.000 . . . . . . 28 A HB# . 17354 1 320 . 1 1 28 28 ALA HB2 H 1 1.546 0.000 . . . . . . 28 A HB# . 17354 1 321 . 1 1 28 28 ALA HB3 H 1 1.546 0.000 . . . . . . 28 A HB# . 17354 1 322 . 1 1 28 28 ALA C C 13 179.414 0.000 . 1 . . . . 28 A C . 17354 1 323 . 1 1 28 28 ALA CA C 13 51.401 0.018 . 1 . . . . 28 A CA . 17354 1 324 . 1 1 28 28 ALA CB C 13 19.359 0.000 . 1 . . . . 28 A CB . 17354 1 325 . 1 1 28 28 ALA N N 15 124.313 0.022 . 1 . . . . 28 A N . 17354 1 326 . 1 1 29 29 THR H H 1 8.506 0.003 . 1 . . . . 29 T HN . 17354 1 327 . 1 1 29 29 THR HA H 1 3.596 0.011 . 1 . . . . 29 T HA . 17354 1 328 . 1 1 29 29 THR HB H 1 4.147 0.007 . 1 . . . . 29 T HB . 17354 1 329 . 1 1 29 29 THR HG21 H 1 1.109 0.009 . . . . . . 29 T HG2# . 17354 1 330 . 1 1 29 29 THR HG22 H 1 1.109 0.009 . . . . . . 29 T HG2# . 17354 1 331 . 1 1 29 29 THR HG23 H 1 1.109 0.009 . . . . . . 29 T HG2# . 17354 1 332 . 1 1 29 29 THR C C 13 177.156 0.000 . 1 . . . . 29 T C . 17354 1 333 . 1 1 29 29 THR CA C 13 65.809 0.021 . 1 . . . . 29 T CA . 17354 1 334 . 1 1 29 29 THR CB C 13 67.297 0.021 . 1 . . . . 29 T CB . 17354 1 335 . 1 1 29 29 THR CG2 C 13 24.043 0.006 . 1 . . . . 29 T CG2 . 17354 1 336 . 1 1 29 29 THR N N 15 115.976 0.020 . 1 . . . . 29 T N . 17354 1 337 . 1 1 30 30 ARG H H 1 8.030 0.002 . 1 . . . . 30 R HN . 17354 1 338 . 1 1 30 30 ARG HA H 1 4.231 0.000 . 1 . . . . 30 R HA . 17354 1 339 . 1 1 30 30 ARG HB2 H 1 1.856 0.000 . 2 . . . . 30 R HB2 . 17354 1 340 . 1 1 30 30 ARG HB3 H 1 1.948 0.000 . 2 . . . . 30 R HB3 . 17354 1 341 . 1 1 30 30 ARG HG2 H 1 1.578 0.000 . 2 . . . . 30 R HG2 . 17354 1 342 . 1 1 30 30 ARG HG3 H 1 1.641 0.000 . 2 . . . . 30 R HG3 . 17354 1 343 . 1 1 30 30 ARG HD2 H 1 3.215 0.000 . . . . . . 30 R HD# . 17354 1 344 . 1 1 30 30 ARG HD3 H 1 3.215 0.000 . . . . . . 30 R HD# . 17354 1 345 . 1 1 30 30 ARG C C 13 176.856 0.000 . 1 . . . . 30 R C . 17354 1 346 . 1 1 30 30 ARG CA C 13 58.119 0.000 . 1 . . . . 30 R CA . 17354 1 347 . 1 1 30 30 ARG CB C 13 29.435 0.000 . 1 . . . . 30 R CB . 17354 1 348 . 1 1 30 30 ARG CG C 13 26.993 0.000 . 1 . . . . 30 R CG . 17354 1 349 . 1 1 30 30 ARG CD C 13 43.093 0.000 . 1 . . . . 30 R CD . 17354 1 350 . 1 1 30 30 ARG N N 15 117.600 0.044 . 1 . . . . 30 R N . 17354 1 351 . 1 1 31 31 GLU H H 1 7.798 0.002 . 1 . . . . 31 E HN . 17354 1 352 . 1 1 31 31 GLU HA H 1 4.624 0.002 . 1 . . . . 31 E HA . 17354 1 353 . 1 1 31 31 GLU HB2 H 1 2.261 0.000 . 2 . . . . 31 E HB2 . 17354 1 354 . 1 1 31 31 GLU HB3 H 1 1.885 0.000 . 2 . . . . 31 E HB3 . 17354 1 355 . 1 1 31 31 GLU HG2 H 1 2.245 0.000 . 2 . . . . 31 E HG2 . 17354 1 356 . 1 1 31 31 GLU HG3 H 1 2.348 0.000 . 2 . . . . 31 E HG3 . 17354 1 357 . 1 1 31 31 GLU C C 13 175.756 0.000 . 1 . . . . 31 E C . 17354 1 358 . 1 1 31 31 GLU CA C 13 55.866 0.034 . 1 . . . . 31 E CA . 17354 1 359 . 1 1 31 31 GLU CB C 13 29.868 0.000 . 1 . . . . 31 E CB . 17354 1 360 . 1 1 31 31 GLU CG C 13 36.803 0.000 . 1 . . . . 31 E CG . 17354 1 361 . 1 1 31 31 GLU N N 15 117.998 0.009 . 1 . . . . 31 E N . 17354 1 362 . 1 1 32 32 LEU H H 1 7.563 0.003 . 1 . . . . 32 L HN . 17354 1 363 . 1 1 32 32 LEU HA H 1 3.667 0.001 . 1 . . . . 32 L HA . 17354 1 364 . 1 1 32 32 LEU HB2 H 1 1.409 0.000 . 2 . . . . 32 L HB2 . 17354 1 365 . 1 1 32 32 LEU HB3 H 1 1.847 0.000 . 2 . . . . 32 L HB3 . 17354 1 366 . 1 1 32 32 LEU HG H 1 1.486 0.001 . 1 . . . . 32 L HG . 17354 1 367 . 1 1 32 32 LEU HD11 H 1 0.988 0.002 . . . . . . 32 L HD1# . 17354 1 368 . 1 1 32 32 LEU HD12 H 1 0.988 0.002 . . . . . . 32 L HD1# . 17354 1 369 . 1 1 32 32 LEU HD13 H 1 0.988 0.002 . . . . . . 32 L HD1# . 17354 1 370 . 1 1 32 32 LEU HD21 H 1 0.856 0.001 . . . . . . 32 L HD2# . 17354 1 371 . 1 1 32 32 LEU HD22 H 1 0.856 0.001 . . . . . . 32 L HD2# . 17354 1 372 . 1 1 32 32 LEU HD23 H 1 0.856 0.001 . . . . . . 32 L HD2# . 17354 1 373 . 1 1 32 32 LEU C C 13 177.756 0.000 . 1 . . . . 32 L C . 17354 1 374 . 1 1 32 32 LEU CA C 13 58.585 0.024 . 1 . . . . 32 L CA . 17354 1 375 . 1 1 32 32 LEU CB C 13 42.191 0.000 . 1 . . . . 32 L CB . 17354 1 376 . 1 1 32 32 LEU CG C 13 26.953 0.000 . 1 . . . . 32 L CG . 17354 1 377 . 1 1 32 32 LEU CD1 C 13 23.283 0.025 . 2 . . . . 32 L CD1 . 17354 1 378 . 1 1 32 32 LEU CD2 C 13 26.313 0.018 . 2 . . . . 32 L CD2 . 17354 1 379 . 1 1 32 32 LEU N N 15 119.993 0.032 . 1 . . . . 32 L N . 17354 1 380 . 1 1 33 33 GLY H H 1 8.945 0.002 . 1 . . . . 33 G HN . 17354 1 381 . 1 1 33 33 GLY HA2 H 1 3.797 0.010 . . . . . . 33 G HA1 . 17354 1 382 . 1 1 33 33 GLY HA3 H 1 3.454 0.011 . 2 . . . . 33 G HA2 . 17354 1 383 . 1 1 33 33 GLY C C 13 175.056 0.000 . 1 . . . . 33 G C . 17354 1 384 . 1 1 33 33 GLY CA C 13 48.165 0.047 . 1 . . . . 33 G CA . 17354 1 385 . 1 1 33 33 GLY N N 15 106.142 0.008 . 1 . . . . 33 G N . 17354 1 386 . 1 1 34 34 THR H H 1 7.769 0.003 . 1 . . . . 34 T HN . 17354 1 387 . 1 1 34 34 THR HA H 1 3.830 0.011 . 1 . . . . 34 T HA . 17354 1 388 . 1 1 34 34 THR HB H 1 4.156 0.007 . 1 . . . . 34 T HB . 17354 1 389 . 1 1 34 34 THR HG21 H 1 1.396 0.009 . . . . . . 34 T HG2# . 17354 1 390 . 1 1 34 34 THR HG22 H 1 1.396 0.009 . . . . . . 34 T HG2# . 17354 1 391 . 1 1 34 34 THR HG23 H 1 1.396 0.009 . . . . . . 34 T HG2# . 17354 1 392 . 1 1 34 34 THR C C 13 176.656 0.000 . 1 . . . . 34 T C . 17354 1 393 . 1 1 34 34 THR CA C 13 66.060 0.021 . 1 . . . . 34 T CA . 17354 1 394 . 1 1 34 34 THR CB C 13 68.395 0.021 . 1 . . . . 34 T CB . 17354 1 395 . 1 1 34 34 THR CG2 C 13 22.733 0.006 . 1 . . . . 34 T CG2 . 17354 1 396 . 1 1 34 34 THR N N 15 118.402 0.020 . 1 . . . . 34 T N . 17354 1 397 . 1 1 35 35 LEU H H 1 7.684 0.003 . 1 . . . . 35 L HN . 17354 1 398 . 1 1 35 35 LEU HA H 1 3.667 0.001 . 1 . . . . 35 L HA . 17354 1 399 . 1 1 35 35 LEU HB2 H 1 0.342 0.000 . 2 . . . . 35 L HB2 . 17354 1 400 . 1 1 35 35 LEU HB3 H 1 1.428 0.000 . 2 . . . . 35 L HB3 . 17354 1 401 . 1 1 35 35 LEU HG H 1 1.058 0.001 . 1 . . . . 35 L HG . 17354 1 402 . 1 1 35 35 LEU HD11 H 1 0.534 0.002 . . . . . . 35 L HD1# . 17354 1 403 . 1 1 35 35 LEU HD12 H 1 0.534 0.002 . . . . . . 35 L HD1# . 17354 1 404 . 1 1 35 35 LEU HD13 H 1 0.534 0.002 . . . . . . 35 L HD1# . 17354 1 405 . 1 1 35 35 LEU HD21 H 1 -0.088 0.001 . . . . . . 35 L HD2# . 17354 1 406 . 1 1 35 35 LEU HD22 H 1 -0.088 0.001 . . . . . . 35 L HD2# . 17354 1 407 . 1 1 35 35 LEU HD23 H 1 -0.088 0.001 . . . . . . 35 L HD2# . 17354 1 408 . 1 1 35 35 LEU C C 13 178.516 0.000 . 1 . . . . 35 L C . 17354 1 409 . 1 1 35 35 LEU CA C 13 58.395 0.024 . 1 . . . . 35 L CA . 17354 1 410 . 1 1 35 35 LEU CB C 13 40.217 0.000 . 1 . . . . 35 L CB . 17354 1 411 . 1 1 35 35 LEU CG C 13 27.053 0.000 . 1 . . . . 35 L CG . 17354 1 412 . 1 1 35 35 LEU CD1 C 13 22.753 0.025 . 2 . . . . 35 L CD1 . 17354 1 413 . 1 1 35 35 LEU CD2 C 13 27.113 0.018 . 2 . . . . 35 L CD2 . 17354 1 414 . 1 1 35 35 LEU N N 15 124.770 0.032 . 1 . . . . 35 L N . 17354 1 415 . 1 1 36 36 MET H H 1 8.819 0.003 . 1 . . . . 36 M HN . 17354 1 416 . 1 1 36 36 MET HA H 1 3.756 0.000 . 1 . . . . 36 M HA . 17354 1 417 . 1 1 36 36 MET HB2 H 1 1.906 0.000 . 2 . . . . 36 M HB2 . 17354 1 418 . 1 1 36 36 MET HB3 H 1 2.023 0.000 . 2 . . . . 36 M HB3 . 17354 1 419 . 1 1 36 36 MET HG2 H 1 2.483 0.000 . 2 . . . . 36 M HG2 . 17354 1 420 . 1 1 36 36 MET HG3 H 1 2.865 0.000 . 2 . . . . 36 M HG3 . 17354 1 421 . 1 1 36 36 MET HE1 H 1 1.763 0.062 . . . . . . 36 M HE# . 17354 1 422 . 1 1 36 36 MET HE2 H 1 1.763 0.062 . . . . . . 36 M HE# . 17354 1 423 . 1 1 36 36 MET HE3 H 1 1.763 0.062 . . . . . . 36 M HE# . 17354 1 424 . 1 1 36 36 MET C C 13 178.535 0.000 . 1 . . . . 36 M C . 17354 1 425 . 1 1 36 36 MET CA C 13 61.258 0.000 . 1 . . . . 36 M CA . 17354 1 426 . 1 1 36 36 MET CB C 13 32.816 0.000 . 1 . . . . 36 M CB . 17354 1 427 . 1 1 36 36 MET CG C 13 33.383 0.000 . 1 . . . . 36 M CG . 17354 1 428 . 1 1 36 36 MET CE C 13 16.766 0.020 . 1 . . . . 36 M CE . 17354 1 429 . 1 1 36 36 MET N N 15 117.947 0.020 . 1 . . . . 36 M N . 17354 1 430 . 1 1 37 37 ARG H H 1 8.239 0.002 . 1 . . . . 37 R HN . 17354 1 431 . 1 1 37 37 ARG HA H 1 4.600 0.000 . 1 . . . . 37 R HA . 17354 1 432 . 1 1 37 37 ARG HB2 H 1 1.913 0.000 . 2 . . . . 37 R HB2 . 17354 1 433 . 1 1 37 37 ARG HB3 H 1 1.957 0.000 . 2 . . . . 37 R HB3 . 17354 1 434 . 1 1 37 37 ARG HG2 H 1 1.818 0.000 . 2 . . . . 37 R HG2 . 17354 1 435 . 1 1 37 37 ARG HG3 H 1 1.900 0.000 . 2 . . . . 37 R HG3 . 17354 1 436 . 1 1 37 37 ARG HD2 H 1 3.080 0.000 . 2 . . . . 37 R HD2 . 17354 1 437 . 1 1 37 37 ARG HD3 H 1 3.250 0.000 . 2 . . . . 37 R HD3 . 17354 1 438 . 1 1 37 37 ARG C C 13 181.410 0.000 . 1 . . . . 37 R C . 17354 1 439 . 1 1 37 37 ARG CA C 13 59.365 0.000 . 1 . . . . 37 R CA . 17354 1 440 . 1 1 37 37 ARG CB C 13 30.336 0.000 . 1 . . . . 37 R CB . 17354 1 441 . 1 1 37 37 ARG CG C 13 29.183 0.000 . 1 . . . . 37 R CG . 17354 1 442 . 1 1 37 37 ARG CD C 13 43.603 0.000 . 1 . . . . 37 R CD . 17354 1 443 . 1 1 37 37 ARG N N 15 118.738 0.044 . 1 . . . . 37 R N . 17354 1 444 . 1 1 38 38 THR H H 1 8.133 0.003 . 1 . . . . 38 T HN . 17354 1 445 . 1 1 38 38 THR HA H 1 4.206 0.011 . 1 . . . . 38 T HA . 17354 1 446 . 1 1 38 38 THR HB H 1 4.589 0.007 . 1 . . . . 38 T HB . 17354 1 447 . 1 1 38 38 THR HG21 H 1 1.482 0.009 . . . . . . 38 T HG2# . 17354 1 448 . 1 1 38 38 THR HG22 H 1 1.482 0.009 . . . . . . 38 T HG2# . 17354 1 449 . 1 1 38 38 THR HG23 H 1 1.482 0.009 . . . . . . 38 T HG2# . 17354 1 450 . 1 1 38 38 THR C C 13 175.306 0.000 . 1 . . . . 38 T C . 17354 1 451 . 1 1 38 38 THR CA C 13 66.210 0.021 . 1 . . . . 38 T CA . 17354 1 452 . 1 1 38 38 THR CB C 13 69.168 0.021 . 1 . . . . 38 T CB . 17354 1 453 . 1 1 38 38 THR CG2 C 13 21.343 0.006 . 1 . . . . 38 T CG2 . 17354 1 454 . 1 1 38 38 THR N N 15 117.721 0.020 . 1 . . . . 38 T N . 17354 1 455 . 1 1 39 39 LEU H H 1 7.271 0.003 . 1 . . . . 39 L HN . 17354 1 456 . 1 1 39 39 LEU HA H 1 4.576 0.001 . 1 . . . . 39 L HA . 17354 1 457 . 1 1 39 39 LEU HB2 H 1 1.760 0.000 . 2 . . . . 39 L HB2 . 17354 1 458 . 1 1 39 39 LEU HB3 H 1 1.884 0.000 . 2 . . . . 39 L HB3 . 17354 1 459 . 1 1 39 39 LEU HG H 1 1.731 0.001 . 1 . . . . 39 L HG . 17354 1 460 . 1 1 39 39 LEU HD11 H 1 1.170 0.002 . . . . . . 39 L HD1# . 17354 1 461 . 1 1 39 39 LEU HD12 H 1 1.170 0.002 . . . . . . 39 L HD1# . 17354 1 462 . 1 1 39 39 LEU HD13 H 1 1.170 0.002 . . . . . . 39 L HD1# . 17354 1 463 . 1 1 39 39 LEU HD21 H 1 0.983 0.001 . . . . . . 39 L HD2# . 17354 1 464 . 1 1 39 39 LEU HD22 H 1 0.983 0.001 . . . . . . 39 L HD2# . 17354 1 465 . 1 1 39 39 LEU HD23 H 1 0.983 0.001 . . . . . . 39 L HD2# . 17354 1 466 . 1 1 39 39 LEU C C 13 176.894 0.000 . 1 . . . . 39 L C . 17354 1 467 . 1 1 39 39 LEU CA C 13 54.363 0.024 . 1 . . . . 39 L CA . 17354 1 468 . 1 1 39 39 LEU CB C 13 42.774 0.000 . 1 . . . . 39 L CB . 17354 1 469 . 1 1 39 39 LEU CG C 13 26.833 0.000 . 1 . . . . 39 L CG . 17354 1 470 . 1 1 39 39 LEU CD1 C 13 22.953 0.025 . 2 . . . . 39 L CD1 . 17354 1 471 . 1 1 39 39 LEU CD2 C 13 26.703 0.018 . 2 . . . . 39 L CD2 . 17354 1 472 . 1 1 39 39 LEU N N 15 120.672 0.032 . 1 . . . . 39 L N . 17354 1 473 . 1 1 40 40 GLY H H 1 7.782 0.002 . 1 . . . . 40 G HN . 17354 1 474 . 1 1 40 40 GLY HA2 H 1 3.816 0.010 . . . . . . 40 G HA1 . 17354 1 475 . 1 1 40 40 GLY HA3 H 1 4.245 0.011 . 2 . . . . 40 G HA2 . 17354 1 476 . 1 1 40 40 GLY C C 13 174.221 0.000 . 1 . . . . 40 G C . 17354 1 477 . 1 1 40 40 GLY CA C 13 46.027 0.047 . 1 . . . . 40 G CA . 17354 1 478 . 1 1 40 40 GLY N N 15 107.000 0.008 . 1 . . . . 40 G N . 17354 1 479 . 1 1 41 41 GLN H H 1 7.928 0.002 . 1 . . . . 41 Q HN . 17354 1 480 . 1 1 41 41 GLN HA H 1 4.424 0.002 . 1 . . . . 41 Q HA . 17354 1 481 . 1 1 41 41 GLN HB2 H 1 1.522 0.000 . 2 . . . . 41 Q HB2 . 17354 1 482 . 1 1 41 41 GLN HB3 H 1 2.080 0.000 . 2 . . . . 41 Q HB3 . 17354 1 483 . 1 1 41 41 GLN HG2 H 1 1.980 0.000 . 2 . . . . 41 Q HG2 . 17354 1 484 . 1 1 41 41 GLN HG3 H 1 2.184 0.000 . 2 . . . . 41 Q HG3 . 17354 1 485 . 1 1 41 41 GLN HE21 H 1 6.970 0.003 . 2 . . . . 41 Q HE21 . 17354 1 486 . 1 1 41 41 GLN HE22 H 1 7.680 0.003 . 2 . . . . 41 Q HE22 . 17354 1 487 . 1 1 41 41 GLN C C 13 176.626 0.000 . 1 . . . . 41 Q C . 17354 1 488 . 1 1 41 41 GLN CA C 13 53.513 0.038 . 1 . . . . 41 Q CA . 17354 1 489 . 1 1 41 41 GLN CB C 13 30.289 0.000 . 1 . . . . 41 Q CB . 17354 1 490 . 1 1 41 41 GLN CG C 13 33.283 0.000 . 1 . . . . 41 Q CG . 17354 1 491 . 1 1 41 41 GLN N N 15 117.925 0.018 . 1 . . . . 41 Q N . 17354 1 492 . 1 1 41 41 GLN NE2 N 15 113.900 0.003 . 1 . . . . 41 Q NE2 . 17354 1 493 . 1 1 42 42 ASN H H 1 8.651 0.003 . 1 . . . . 42 N HN . 17354 1 494 . 1 1 42 42 ASN HA H 1 5.169 0.007 . 1 . . . . 42 N HA . 17354 1 495 . 1 1 42 42 ASN HB2 H 1 2.737 0.002 . 2 . . . . 42 N HB2 . 17354 1 496 . 1 1 42 42 ASN HB3 H 1 2.509 0.003 . 2 . . . . 42 N HB3 . 17354 1 497 . 1 1 42 42 ASN HD21 H 1 6.730 0.003 . 2 . . . . 42 N HD21 . 17354 1 498 . 1 1 42 42 ASN HD22 H 1 7.500 0.003 . 2 . . . . 42 N HD22 . 17354 1 499 . 1 1 42 42 ASN C C 13 171.806 0.000 . 1 . . . . 42 N C . 17354 1 500 . 1 1 42 42 ASN CA C 13 51.037 0.023 . 1 . . . . 42 N CA . 17354 1 501 . 1 1 42 42 ASN CB C 13 39.462 0.064 . 1 . . . . 42 N CB . 17354 1 502 . 1 1 42 42 ASN N N 15 117.147 0.018 . 1 . . . . 42 N N . 17354 1 503 . 1 1 42 42 ASN ND2 N 15 112.500 0.003 . 1 . . . . 42 N ND2 . 17354 1 504 . 1 1 43 43 PRO HA H 1 4.723 0.000 . 1 . . . . 43 P HA . 17354 1 505 . 1 1 43 43 PRO HB2 H 1 2.054 0.000 . 2 . . . . 43 P HB2 . 17354 1 506 . 1 1 43 43 PRO HB3 H 1 1.958 0.000 . 2 . . . . 43 P HB3 . 17354 1 507 . 1 1 43 43 PRO HG2 H 1 1.911 0.000 . 2 . . . . 43 P HG2 . 17354 1 508 . 1 1 43 43 PRO HG3 H 1 1.984 0.000 . 2 . . . . 43 P HG3 . 17354 1 509 . 1 1 43 43 PRO HD2 H 1 3.233 0.003 . 2 . . . . 43 P HD2 . 17354 1 510 . 1 1 43 43 PRO HD3 H 1 3.658 0.003 . 2 . . . . 43 P HD3 . 17354 1 511 . 1 1 43 43 PRO CA C 13 62.406 0.000 . 1 . . . . 43 P CA . 17354 1 512 . 1 1 43 43 PRO CB C 13 31.577 0.000 . 1 . . . . 43 P CB . 17354 1 513 . 1 1 43 43 PRO CG C 13 27.123 0.000 . 1 . . . . 43 P CG . 17354 1 514 . 1 1 43 43 PRO CD C 13 50.093 0.014 . 1 . . . . 43 P CD . 17354 1 515 . 1 1 43 43 PRO N N 15 109.600 0.000 . 1 . . . . 43 P N . 17354 1 516 . 1 1 44 44 THR H H 1 8.895 0.003 . 1 . . . . 44 T HN . 17354 1 517 . 1 1 44 44 THR HA H 1 4.372 0.011 . 1 . . . . 44 T HA . 17354 1 518 . 1 1 44 44 THR HB H 1 4.697 0.007 . 1 . . . . 44 T HB . 17354 1 519 . 1 1 44 44 THR HG21 H 1 1.349 0.009 . . . . . . 44 T HG2# . 17354 1 520 . 1 1 44 44 THR HG22 H 1 1.349 0.009 . . . . . . 44 T HG2# . 17354 1 521 . 1 1 44 44 THR HG23 H 1 1.349 0.009 . . . . . . 44 T HG2# . 17354 1 522 . 1 1 44 44 THR C C 13 174.891 0.000 . 1 . . . . 44 T C . 17354 1 523 . 1 1 44 44 THR CA C 13 60.915 0.021 . 1 . . . . 44 T CA . 17354 1 524 . 1 1 44 44 THR CB C 13 70.807 0.021 . 1 . . . . 44 T CB . 17354 1 525 . 1 1 44 44 THR CG2 C 13 21.903 0.006 . 1 . . . . 44 T CG2 . 17354 1 526 . 1 1 44 44 THR N N 15 113.532 0.020 . 1 . . . . 44 T N . 17354 1 527 . 1 1 45 45 GLU H H 1 8.846 0.002 . 1 . . . . 45 E HN . 17354 1 528 . 1 1 45 45 GLU HA H 1 4.000 0.002 . 1 . . . . 45 E HA . 17354 1 529 . 1 1 45 45 GLU HB2 H 1 2.032 0.000 . . . . . . 45 E HB# . 17354 1 530 . 1 1 45 45 GLU HB3 H 1 2.032 0.000 . . . . . . 45 E HB# . 17354 1 531 . 1 1 45 45 GLU HG2 H 1 2.308 0.000 . 2 . . . . 45 E HG2 . 17354 1 532 . 1 1 45 45 GLU HG3 H 1 2.352 0.000 . 2 . . . . 45 E HG3 . 17354 1 533 . 1 1 45 45 GLU C C 13 178.919 0.000 . 1 . . . . 45 E C . 17354 1 534 . 1 1 45 45 GLU CA C 13 60.018 0.034 . 1 . . . . 45 E CA . 17354 1 535 . 1 1 45 45 GLU CB C 13 29.096 0.000 . 1 . . . . 45 E CB . 17354 1 536 . 1 1 45 45 GLU CG C 13 36.223 0.000 . 1 . . . . 45 E CG . 17354 1 537 . 1 1 45 45 GLU N N 15 120.832 0.009 . 1 . . . . 45 E N . 17354 1 538 . 1 1 46 46 ALA H H 1 8.333 0.003 . 1 . . . . 46 A HN . 17354 1 539 . 1 1 46 46 ALA HA H 1 4.069 0.002 . 1 . . . . 46 A HA . 17354 1 540 . 1 1 46 46 ALA HB1 H 1 1.372 0.000 . . . . . . 46 A HB# . 17354 1 541 . 1 1 46 46 ALA HB2 H 1 1.372 0.000 . . . . . . 46 A HB# . 17354 1 542 . 1 1 46 46 ALA HB3 H 1 1.372 0.000 . . . . . . 46 A HB# . 17354 1 543 . 1 1 46 46 ALA C C 13 180.412 0.000 . 1 . . . . 46 A C . 17354 1 544 . 1 1 46 46 ALA CA C 13 55.023 0.018 . 1 . . . . 46 A CA . 17354 1 545 . 1 1 46 46 ALA CB C 13 18.355 0.000 . 1 . . . . 46 A CB . 17354 1 546 . 1 1 46 46 ALA N N 15 120.900 0.022 . 1 . . . . 46 A N . 17354 1 547 . 1 1 47 47 GLU H H 1 7.745 0.002 . 1 . . . . 47 E HN . 17354 1 548 . 1 1 47 47 GLU HA H 1 4.012 0.002 . 1 . . . . 47 E HA . 17354 1 549 . 1 1 47 47 GLU HB2 H 1 1.872 0.000 . 2 . . . . 47 E HB2 . 17354 1 550 . 1 1 47 47 GLU HB3 H 1 2.292 0.000 . 2 . . . . 47 E HB3 . 17354 1 551 . 1 1 47 47 GLU HG2 H 1 2.248 0.000 . 2 . . . . 47 E HG2 . 17354 1 552 . 1 1 47 47 GLU HG3 H 1 2.354 0.000 . 2 . . . . 47 E HG3 . 17354 1 553 . 1 1 47 47 GLU C C 13 179.816 0.000 . 1 . . . . 47 E C . 17354 1 554 . 1 1 47 47 GLU CA C 13 58.811 0.034 . 1 . . . . 47 E CA . 17354 1 555 . 1 1 47 47 GLU CB C 13 29.820 0.000 . 1 . . . . 47 E CB . 17354 1 556 . 1 1 47 47 GLU CG C 13 37.003 0.000 . 1 . . . . 47 E CG . 17354 1 557 . 1 1 47 47 GLU N N 15 118.856 0.009 . 1 . . . . 47 E N . 17354 1 558 . 1 1 48 48 LEU H H 1 8.475 0.003 . 1 . . . . 48 L HN . 17354 1 559 . 1 1 48 48 LEU HA H 1 3.925 0.001 . 1 . . . . 48 L HA . 17354 1 560 . 1 1 48 48 LEU HB2 H 1 1.659 0.000 . . . . . . 48 L HB# . 17354 1 561 . 1 1 48 48 LEU HB3 H 1 1.659 0.000 . . . . . . 48 L HB# . 17354 1 562 . 1 1 48 48 LEU HG H 1 1.597 0.001 . 1 . . . . 48 L HG . 17354 1 563 . 1 1 48 48 LEU HD11 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 564 . 1 1 48 48 LEU HD12 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 565 . 1 1 48 48 LEU HD13 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 566 . 1 1 48 48 LEU HD21 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 567 . 1 1 48 48 LEU HD22 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 568 . 1 1 48 48 LEU HD23 H 1 0.813 0.002 . . . . . . 48 L HD# . 17354 1 569 . 1 1 48 48 LEU C C 13 178.097 0.000 . 1 . . . . 48 L C . 17354 1 570 . 1 1 48 48 LEU CA C 13 58.090 0.024 . 1 . . . . 48 L CA . 17354 1 571 . 1 1 48 48 LEU CB C 13 41.892 0.000 . 1 . . . . 48 L CB . 17354 1 572 . 1 1 48 48 LEU CG C 13 27.243 0.000 . 1 . . . . 48 L CG . 17354 1 573 . 1 1 48 48 LEU CD1 C 13 24.663 0.025 . . . . . . 48 L CD# . 17354 1 574 . 1 1 48 48 LEU CD2 C 13 24.663 0.025 . . . . . . 48 L CD# . 17354 1 575 . 1 1 48 48 LEU N N 15 119.997 0.032 . 1 . . . . 48 L N . 17354 1 576 . 1 1 49 49 GLN H H 1 8.053 0.002 . 1 . . . . 49 Q HN . 17354 1 577 . 1 1 49 49 GLN HA H 1 3.890 0.002 . 1 . . . . 49 Q HA . 17354 1 578 . 1 1 49 49 GLN HB2 H 1 2.124 0.000 . 2 . . . . 49 Q HB2 . 17354 1 579 . 1 1 49 49 GLN HB3 H 1 2.159 0.000 . 2 . . . . 49 Q HB3 . 17354 1 580 . 1 1 49 49 GLN HG2 H 1 2.480 0.000 . . . . . . 49 Q HG# . 17354 1 581 . 1 1 49 49 GLN HG3 H 1 2.480 0.000 . . . . . . 49 Q HG# . 17354 1 582 . 1 1 49 49 GLN HE21 H 1 6.830 0.003 . 2 . . . . 49 Q HE21 . 17354 1 583 . 1 1 49 49 GLN HE22 H 1 7.550 0.003 . 2 . . . . 49 Q HE22 . 17354 1 584 . 1 1 49 49 GLN C C 13 178.676 0.000 . 1 . . . . 49 Q C . 17354 1 585 . 1 1 49 49 GLN CA C 13 58.902 0.038 . 1 . . . . 49 Q CA . 17354 1 586 . 1 1 49 49 GLN CB C 13 27.915 0.000 . 1 . . . . 49 Q CB . 17354 1 587 . 1 1 49 49 GLN CG C 13 33.803 0.000 . 1 . . . . 49 Q CG . 17354 1 588 . 1 1 49 49 GLN N N 15 116.632 0.018 . 1 . . . . 49 Q N . 17354 1 589 . 1 1 49 49 GLN NE2 N 15 112.400 0.003 . 1 . . . . 49 Q NE2 . 17354 1 590 . 1 1 50 50 ASP H H 1 7.563 0.000 . 1 . . . . 50 D HN . 17354 1 591 . 1 1 50 50 ASP HA H 1 4.483 0.000 . 1 . . . . 50 D HA . 17354 1 592 . 1 1 50 50 ASP HB2 H 1 2.691 0.000 . 2 . . . . 50 D HB2 . 17354 1 593 . 1 1 50 50 ASP HB3 H 1 2.735 0.000 . 2 . . . . 50 D HB3 . 17354 1 594 . 1 1 50 50 ASP C C 13 178.525 0.000 . 1 . . . . 50 D C . 17354 1 595 . 1 1 50 50 ASP CA C 13 57.284 0.000 . 1 . . . . 50 D CA . 17354 1 596 . 1 1 50 50 ASP CB C 13 40.586 0.000 . 1 . . . . 50 D CB . 17354 1 597 . 1 1 50 50 ASP N N 15 119.443 0.000 . 1 . . . . 50 D N . 17354 1 598 . 1 1 51 51 LEU H H 1 8.058 0.003 . 1 . . . . 51 L HN . 17354 1 599 . 1 1 51 51 LEU HA H 1 4.062 0.001 . 1 . . . . 51 L HA . 17354 1 600 . 1 1 51 51 LEU HB2 H 1 2.027 0.000 . 2 . . . . 51 L HB2 . 17354 1 601 . 1 1 51 51 LEU HB3 H 1 1.291 0.000 . 2 . . . . 51 L HB3 . 17354 1 602 . 1 1 51 51 LEU HG H 1 1.923 0.001 . 1 . . . . 51 L HG . 17354 1 603 . 1 1 51 51 LEU HD11 H 1 0.754 0.002 . . . . . . 51 L HD1# . 17354 1 604 . 1 1 51 51 LEU HD12 H 1 0.754 0.002 . . . . . . 51 L HD1# . 17354 1 605 . 1 1 51 51 LEU HD13 H 1 0.754 0.002 . . . . . . 51 L HD1# . 17354 1 606 . 1 1 51 51 LEU HD21 H 1 0.874 0.001 . . . . . . 51 L HD2# . 17354 1 607 . 1 1 51 51 LEU HD22 H 1 0.874 0.001 . . . . . . 51 L HD2# . 17354 1 608 . 1 1 51 51 LEU HD23 H 1 0.874 0.001 . . . . . . 51 L HD2# . 17354 1 609 . 1 1 51 51 LEU C C 13 179.692 0.000 . 1 . . . . 51 L C . 17354 1 610 . 1 1 51 51 LEU CA C 13 57.774 0.024 . 1 . . . . 51 L CA . 17354 1 611 . 1 1 51 51 LEU CB C 13 42.457 0.000 . 1 . . . . 51 L CB . 17354 1 612 . 1 1 51 51 LEU CG C 13 26.493 0.000 . 1 . . . . 51 L CG . 17354 1 613 . 1 1 51 51 LEU CD1 C 13 25.083 0.025 . 2 . . . . 51 L CD1 . 17354 1 614 . 1 1 51 51 LEU CD2 C 13 22.863 0.018 . 2 . . . . 51 L CD2 . 17354 1 615 . 1 1 51 51 LEU N N 15 120.710 0.032 . 1 . . . . 51 L N . 17354 1 616 . 1 1 52 52 ILE H H 1 8.172 0.003 . 1 . . . . 52 I HN . 17354 1 617 . 1 1 52 52 ILE HA H 1 3.696 0.001 . 1 . . . . 52 I HA . 17354 1 618 . 1 1 52 52 ILE HB H 1 1.901 0.000 . 1 . . . . 52 I HB . 17354 1 619 . 1 1 52 52 ILE HG12 H 1 1.035 0.000 . 2 . . . . 52 I HG12 . 17354 1 620 . 1 1 52 52 ILE HG13 H 1 1.583 0.000 . 2 . . . . 52 I HG13 . 17354 1 621 . 1 1 52 52 ILE HG21 H 1 0.842 0.002 . . . . . . 52 I HG2# . 17354 1 622 . 1 1 52 52 ILE HG22 H 1 0.842 0.002 . . . . . . 52 I HG2# . 17354 1 623 . 1 1 52 52 ILE HG23 H 1 0.842 0.002 . . . . . . 52 I HG2# . 17354 1 624 . 1 1 52 52 ILE HD11 H 1 0.777 0.002 . . . . . . 52 I HD1# . 17354 1 625 . 1 1 52 52 ILE HD12 H 1 0.777 0.002 . . . . . . 52 I HD1# . 17354 1 626 . 1 1 52 52 ILE HD13 H 1 0.777 0.002 . . . . . . 52 I HD1# . 17354 1 627 . 1 1 52 52 ILE C C 13 176.966 0.000 . 1 . . . . 52 I C . 17354 1 628 . 1 1 52 52 ILE CA C 13 64.550 0.000 . 1 . . . . 52 I CA . 17354 1 629 . 1 1 52 52 ILE CB C 13 38.513 0.000 . 1 . . . . 52 I CB . 17354 1 630 . 1 1 52 52 ILE CG1 C 13 28.393 0.000 . 1 . . . . 52 I CG1 . 17354 1 631 . 1 1 52 52 ILE CG2 C 13 17.633 0.016 . 1 . . . . 52 I CG2 . 17354 1 632 . 1 1 52 52 ILE CD1 C 13 13.783 0.005 . 1 . . . . 52 I CD1 . 17354 1 633 . 1 1 52 52 ILE N N 15 116.210 0.060 . 1 . . . . 52 I N . 17354 1 634 . 1 1 53 53 ALA H H 1 7.798 0.003 . 1 . . . . 53 A HN . 17354 1 635 . 1 1 53 53 ALA HA H 1 4.105 0.002 . 1 . . . . 53 A HA . 17354 1 636 . 1 1 53 53 ALA HB1 H 1 1.517 0.000 . . . . . . 53 A HB# . 17354 1 637 . 1 1 53 53 ALA HB2 H 1 1.517 0.000 . . . . . . 53 A HB# . 17354 1 638 . 1 1 53 53 ALA HB3 H 1 1.517 0.000 . . . . . . 53 A HB# . 17354 1 639 . 1 1 53 53 ALA C C 13 180.109 0.000 . 1 . . . . 53 A C . 17354 1 640 . 1 1 53 53 ALA CA C 13 55.323 0.018 . 1 . . . . 53 A CA . 17354 1 641 . 1 1 53 53 ALA CB C 13 18.322 0.000 . 1 . . . . 53 A CB . 17354 1 642 . 1 1 53 53 ALA N N 15 122.621 0.022 . 1 . . . . 53 A N . 17354 1 643 . 1 1 54 54 GLU H H 1 8.026 0.002 . 1 . . . . 54 E HN . 17354 1 644 . 1 1 54 54 GLU HA H 1 4.102 0.002 . 1 . . . . 54 E HA . 17354 1 645 . 1 1 54 54 GLU HB2 H 1 2.070 0.000 . . . . . . 54 E HB# . 17354 1 646 . 1 1 54 54 GLU HB3 H 1 2.070 0.000 . . . . . . 54 E HB# . 17354 1 647 . 1 1 54 54 GLU HG2 H 1 2.261 0.000 . 2 . . . . 54 E HG2 . 17354 1 648 . 1 1 54 54 GLU HG3 H 1 2.335 0.000 . 2 . . . . 54 E HG3 . 17354 1 649 . 1 1 54 54 GLU C C 13 177.951 0.000 . 1 . . . . 54 E C . 17354 1 650 . 1 1 54 54 GLU CA C 13 58.745 0.034 . 1 . . . . 54 E CA . 17354 1 651 . 1 1 54 54 GLU CB C 13 29.359 0.000 . 1 . . . . 54 E CB . 17354 1 652 . 1 1 54 54 GLU CG C 13 36.203 0.000 . 1 . . . . 54 E CG . 17354 1 653 . 1 1 54 54 GLU N N 15 117.507 0.009 . 1 . . . . 54 E N . 17354 1 654 . 1 1 55 55 ALA H H 1 7.931 0.003 . 1 . . . . 55 A HN . 17354 1 655 . 1 1 55 55 ALA HA H 1 4.297 0.002 . 1 . . . . 55 A HA . 17354 1 656 . 1 1 55 55 ALA HB1 H 1 1.398 0.000 . . . . . . 55 A HB# . 17354 1 657 . 1 1 55 55 ALA HB2 H 1 1.398 0.000 . . . . . . 55 A HB# . 17354 1 658 . 1 1 55 55 ALA HB3 H 1 1.398 0.000 . . . . . . 55 A HB# . 17354 1 659 . 1 1 55 55 ALA C C 13 179.999 0.000 . 1 . . . . 55 A C . 17354 1 660 . 1 1 55 55 ALA CA C 13 53.829 0.018 . 1 . . . . 55 A CA . 17354 1 661 . 1 1 55 55 ALA CB C 13 18.771 0.000 . 1 . . . . 55 A CB . 17354 1 662 . 1 1 55 55 ALA N N 15 122.169 0.022 . 1 . . . . 55 A N . 17354 1 663 . 1 1 56 56 GLU H H 1 8.536 0.002 . 1 . . . . 56 E HN . 17354 1 664 . 1 1 56 56 GLU HA H 1 3.990 0.002 . 1 . . . . 56 E HA . 17354 1 665 . 1 1 56 56 GLU HB2 H 1 2.060 0.000 . 2 . . . . 56 E HB2 . 17354 1 666 . 1 1 56 56 GLU HB3 H 1 2.114 0.000 . 2 . . . . 56 E HB3 . 17354 1 667 . 1 1 56 56 GLU HG2 H 1 2.251 0.000 . 2 . . . . 56 E HG2 . 17354 1 668 . 1 1 56 56 GLU HG3 H 1 2.345 0.000 . 2 . . . . 56 E HG3 . 17354 1 669 . 1 1 56 56 GLU C C 13 177.148 0.000 . 1 . . . . 56 E C . 17354 1 670 . 1 1 56 56 GLU CA C 13 58.641 0.034 . 1 . . . . 56 E CA . 17354 1 671 . 1 1 56 56 GLU CB C 13 29.265 0.000 . 1 . . . . 56 E CB . 17354 1 672 . 1 1 56 56 GLU CG C 13 36.933 0.000 . 1 . . . . 56 E CG . 17354 1 673 . 1 1 56 56 GLU N N 15 118.869 0.009 . 1 . . . . 56 E N . 17354 1 674 . 1 1 57 57 ASN H H 1 8.110 0.003 . 1 . . . . 57 N HN . 17354 1 675 . 1 1 57 57 ASN HA H 1 4.670 0.007 . 1 . . . . 57 N HA . 17354 1 676 . 1 1 57 57 ASN HB2 H 1 2.780 0.002 . . . . . . 57 N HB# . 17354 1 677 . 1 1 57 57 ASN HB3 H 1 2.780 0.002 . . . . . . 57 N HB# . 17354 1 678 . 1 1 57 57 ASN HD21 H 1 6.950 0.003 . 2 . . . . 57 N HD21 . 17354 1 679 . 1 1 57 57 ASN HD22 H 1 7.720 0.003 . 2 . . . . 57 N HD22 . 17354 1 680 . 1 1 57 57 ASN CA C 13 54.473 0.023 . 1 . . . . 57 N CA . 17354 1 681 . 1 1 57 57 ASN CB C 13 39.263 0.064 . 1 . . . . 57 N CB . 17354 1 682 . 1 1 57 57 ASN N N 15 117.500 0.018 . 1 . . . . 57 N N . 17354 1 683 . 1 1 57 57 ASN ND2 N 15 113.600 0.003 . 1 . . . . 57 N ND2 . 17354 1 684 . 1 1 58 58 ASN H H 1 8.110 0.003 . 1 . . . . 58 N HN . 17354 1 685 . 1 1 58 58 ASN HA H 1 4.800 0.007 . 1 . . . . 58 N HA . 17354 1 686 . 1 1 58 58 ASN HB2 H 1 2.800 0.002 . 2 . . . . 58 N HB2 . 17354 1 687 . 1 1 58 58 ASN HB3 H 1 2.860 0.003 . 2 . . . . 58 N HB3 . 17354 1 688 . 1 1 58 58 ASN HD21 H 1 6.950 0.003 . 2 . . . . 58 N HD21 . 17354 1 689 . 1 1 58 58 ASN HD22 H 1 7.720 0.003 . 2 . . . . 58 N HD22 . 17354 1 690 . 1 1 58 58 ASN CA C 13 53.943 0.023 . 1 . . . . 58 N CA . 17354 1 691 . 1 1 58 58 ASN CB C 13 39.693 0.064 . 1 . . . . 58 N CB . 17354 1 692 . 1 1 58 58 ASN N N 15 117.500 0.018 . 1 . . . . 58 N N . 17354 1 693 . 1 1 58 58 ASN ND2 N 15 113.900 0.003 . 1 . . . . 58 N ND2 . 17354 1 694 . 1 1 59 59 ASN HA H 1 4.890 0.007 . 1 . . . . 59 N HA . 17354 1 695 . 1 1 59 59 ASN HB2 H 1 2.800 0.002 . 2 . . . . 59 N HB2 . 17354 1 696 . 1 1 59 59 ASN HB3 H 1 3.169 0.003 . 2 . . . . 59 N HB3 . 17354 1 697 . 1 1 59 59 ASN HD21 H 1 6.910 0.003 . 2 . . . . 59 N HD21 . 17354 1 698 . 1 1 59 59 ASN HD22 H 1 7.710 0.003 . 2 . . . . 59 N HD22 . 17354 1 699 . 1 1 59 59 ASN CA C 13 53.463 0.023 . 1 . . . . 59 N CA . 17354 1 700 . 1 1 59 59 ASN CB C 13 39.533 0.064 . 1 . . . . 59 N CB . 17354 1 701 . 1 1 59 59 ASN N N 15 117.500 0.018 . 1 . . . . 59 N N . 17354 1 702 . 1 1 59 59 ASN ND2 N 15 113.000 0.003 . 1 . . . . 59 N ND2 . 17354 1 703 . 1 1 60 60 ASN H H 1 8.661 0.003 . 1 . . . . 60 N HN . 17354 1 704 . 1 1 60 60 ASN HA H 1 4.616 0.007 . 1 . . . . 60 N HA . 17354 1 705 . 1 1 60 60 ASN HB2 H 1 2.763 0.002 . 2 . . . . 60 N HB2 . 17354 1 706 . 1 1 60 60 ASN HB3 H 1 3.018 0.003 . 2 . . . . 60 N HB3 . 17354 1 707 . 1 1 60 60 ASN HD21 H 1 6.870 0.003 . 2 . . . . 60 N HD21 . 17354 1 708 . 1 1 60 60 ASN HD22 H 1 7.550 0.003 . 2 . . . . 60 N HD22 . 17354 1 709 . 1 1 60 60 ASN CA C 13 53.983 0.023 . 1 . . . . 60 N CA . 17354 1 710 . 1 1 60 60 ASN CB C 13 38.273 0.064 . 1 . . . . 60 N CB . 17354 1 711 . 1 1 60 60 ASN N N 15 116.920 0.018 . 1 . . . . 60 N N . 17354 1 712 . 1 1 60 60 ASN ND2 N 15 112.500 0.003 . 1 . . . . 60 N ND2 . 17354 1 713 . 1 1 61 61 GLY H H 1 8.387 0.002 . 1 . . . . 61 G HN . 17354 1 714 . 1 1 61 61 GLY HA2 H 1 3.759 0.010 . . . . . . 61 G HA1 . 17354 1 715 . 1 1 61 61 GLY HA3 H 1 4.128 0.011 . 2 . . . . 61 G HA2 . 17354 1 716 . 1 1 61 61 GLY C C 13 174.303 0.000 . 1 . . . . 61 G C . 17354 1 717 . 1 1 61 61 GLY CA C 13 46.479 0.047 . 1 . . . . 61 G CA . 17354 1 718 . 1 1 61 61 GLY N N 15 105.683 0.008 . 1 . . . . 61 G N . 17354 1 719 . 1 1 62 62 GLN H H 1 7.602 0.002 . 1 . . . . 62 Q HN . 17354 1 720 . 1 1 62 62 GLN HA H 1 5.341 0.002 . 1 . . . . 62 Q HA . 17354 1 721 . 1 1 62 62 GLN HB2 H 1 1.905 0.000 . 2 . . . . 62 Q HB2 . 17354 1 722 . 1 1 62 62 GLN HB3 H 1 1.935 0.000 . 2 . . . . 62 Q HB3 . 17354 1 723 . 1 1 62 62 GLN HG2 H 1 2.178 0.000 . 2 . . . . 62 Q HG2 . 17354 1 724 . 1 1 62 62 GLN HG3 H 1 2.308 0.000 . 2 . . . . 62 Q HG3 . 17354 1 725 . 1 1 62 62 GLN HE21 H 1 6.760 0.003 . 2 . . . . 62 Q HE21 . 17354 1 726 . 1 1 62 62 GLN HE22 H 1 7.340 0.003 . 2 . . . . 62 Q HE22 . 17354 1 727 . 1 1 62 62 GLN C C 13 174.380 0.000 . 1 . . . . 62 Q C . 17354 1 728 . 1 1 62 62 GLN CA C 13 54.267 0.038 . 1 . . . . 62 Q CA . 17354 1 729 . 1 1 62 62 GLN CB C 13 33.506 0.000 . 1 . . . . 62 Q CB . 17354 1 730 . 1 1 62 62 GLN CG C 13 33.759 0.000 . 1 . . . . 62 Q CG . 17354 1 731 . 1 1 62 62 GLN N N 15 118.885 0.018 . 1 . . . . 62 Q N . 17354 1 732 . 1 1 62 62 GLN NE2 N 15 111.400 0.003 . 1 . . . . 62 Q NE2 . 17354 1 733 . 1 1 63 63 LEU H H 1 9.080 0.003 . 1 . . . . 63 L HN . 17354 1 734 . 1 1 63 63 LEU HA H 1 4.995 0.001 . 1 . . . . 63 L HA . 17354 1 735 . 1 1 63 63 LEU HB2 H 1 1.650 0.000 . . . . . . 63 L HB# . 17354 1 736 . 1 1 63 63 LEU HB3 H 1 1.650 0.000 . . . . . . 63 L HB# . 17354 1 737 . 1 1 63 63 LEU HG H 1 1.646 0.001 . 1 . . . . 63 L HG . 17354 1 738 . 1 1 63 63 LEU HD11 H 1 0.848 0.002 . . . . . . 63 L HD1# . 17354 1 739 . 1 1 63 63 LEU HD12 H 1 0.848 0.002 . . . . . . 63 L HD1# . 17354 1 740 . 1 1 63 63 LEU HD13 H 1 0.848 0.002 . . . . . . 63 L HD1# . 17354 1 741 . 1 1 63 63 LEU HD21 H 1 0.855 0.001 . . . . . . 63 L HD2# . 17354 1 742 . 1 1 63 63 LEU HD22 H 1 0.855 0.001 . . . . . . 63 L HD2# . 17354 1 743 . 1 1 63 63 LEU HD23 H 1 0.855 0.001 . . . . . . 63 L HD2# . 17354 1 744 . 1 1 63 63 LEU C C 13 175.774 0.000 . 1 . . . . 63 L C . 17354 1 745 . 1 1 63 63 LEU CA C 13 53.704 0.024 . 1 . . . . 63 L CA . 17354 1 746 . 1 1 63 63 LEU CB C 13 46.156 0.000 . 1 . . . . 63 L CB . 17354 1 747 . 1 1 63 63 LEU CG C 13 26.123 0.000 . 1 . . . . 63 L CG . 17354 1 748 . 1 1 63 63 LEU CD1 C 13 25.573 0.025 . 2 . . . . 63 L CD1 . 17354 1 749 . 1 1 63 63 LEU CD2 C 13 27.573 0.018 . 2 . . . . 63 L CD2 . 17354 1 750 . 1 1 63 63 LEU N N 15 121.039 0.032 . 1 . . . . 63 L N . 17354 1 751 . 1 1 64 64 ASN H H 1 9.220 0.003 . 1 . . . . 64 N HN . 17354 1 752 . 1 1 64 64 ASN HA H 1 5.658 0.007 . 1 . . . . 64 N HA . 17354 1 753 . 1 1 64 64 ASN HB2 H 1 3.502 0.003 . 2 . . . . 64 N HB2 . 17354 1 754 . 1 1 64 64 ASN HB3 H 1 2.782 0.002 . 2 . . . . 64 N HB3 . 17354 1 755 . 1 1 64 64 ASN HD21 H 1 6.910 0.003 . 2 . . . . 64 N HD21 . 17354 1 756 . 1 1 64 64 ASN HD22 H 1 7.450 0.003 . 2 . . . . 64 N HD22 . 17354 1 757 . 1 1 64 64 ASN C C 13 175.612 0.000 . 1 . . . . 64 N C . 17354 1 758 . 1 1 64 64 ASN CA C 13 50.934 0.023 . 1 . . . . 64 N CA . 17354 1 759 . 1 1 64 64 ASN CB C 13 39.275 0.064 . 1 . . . . 64 N CB . 17354 1 760 . 1 1 64 64 ASN N N 15 120.418 0.018 . 1 . . . . 64 N N . 17354 1 761 . 1 1 64 64 ASN ND2 N 15 110.700 0.003 . 1 . . . . 64 N ND2 . 17354 1 762 . 1 1 65 65 PHE H H 1 8.662 0.006 . 1 . . . . 65 F HN . 17354 1 763 . 1 1 65 65 PHE HA H 1 3.618 0.009 . 1 . . . . 65 F HA . 17354 1 764 . 1 1 65 65 PHE HB2 H 1 2.331 0.011 . 2 . . . . 65 F HB2 . 17354 1 765 . 1 1 65 65 PHE HB3 H 1 2.657 0.012 . 2 . . . . 65 F HB3 . 17354 1 766 . 1 1 65 65 PHE HD1 H 1 6.610 0.011 . . . . . . 65 F HD# . 17354 1 767 . 1 1 65 65 PHE HD2 H 1 6.610 0.011 . . . . . . 65 F HD# . 17354 1 768 . 1 1 65 65 PHE HE1 H 1 6.800 0.012 . . . . . . 65 F HE# . 17354 1 769 . 1 1 65 65 PHE HE2 H 1 6.800 0.012 . . . . . . 65 F HE# . 17354 1 770 . 1 1 65 65 PHE HZ H 1 7.530 0.700 . 1 . . . . 65 F HZ . 17354 1 771 . 1 1 65 65 PHE C C 13 177.260 0.000 . 1 . . . . 65 F C . 17354 1 772 . 1 1 65 65 PHE CA C 13 62.025 0.024 . 1 . . . . 65 F CA . 17354 1 773 . 1 1 65 65 PHE CB C 13 39.109 0.008 . 1 . . . . 65 F CB . 17354 1 774 . 1 1 65 65 PHE N N 15 118.351 0.027 . 1 . . . . 65 F N . 17354 1 775 . 1 1 66 66 THR H H 1 8.119 0.003 . 1 . . . . 66 T HN . 17354 1 776 . 1 1 66 66 THR HA H 1 3.604 0.011 . 1 . . . . 66 T HA . 17354 1 777 . 1 1 66 66 THR HB H 1 4.196 0.007 . 1 . . . . 66 T HB . 17354 1 778 . 1 1 66 66 THR HG21 H 1 1.221 0.009 . . . . . . 66 T HG2# . 17354 1 779 . 1 1 66 66 THR HG22 H 1 1.221 0.009 . . . . . . 66 T HG2# . 17354 1 780 . 1 1 66 66 THR HG23 H 1 1.221 0.009 . . . . . . 66 T HG2# . 17354 1 781 . 1 1 66 66 THR C C 13 177.783 0.000 . 1 . . . . 66 T C . 17354 1 782 . 1 1 66 66 THR CA C 13 66.983 0.021 . 1 . . . . 66 T CA . 17354 1 783 . 1 1 66 66 THR CB C 13 68.342 0.021 . 1 . . . . 66 T CB . 17354 1 784 . 1 1 66 66 THR CG2 C 13 21.903 0.006 . 1 . . . . 66 T CG2 . 17354 1 785 . 1 1 66 66 THR N N 15 117.481 0.020 . 1 . . . . 66 T N . 17354 1 786 . 1 1 67 67 GLU H H 1 8.750 0.002 . 1 . . . . 67 E HN . 17354 1 787 . 1 1 67 67 GLU HA H 1 3.975 0.002 . 1 . . . . 67 E HA . 17354 1 788 . 1 1 67 67 GLU HB2 H 1 1.870 0.000 . 2 . . . . 67 E HB2 . 17354 1 789 . 1 1 67 67 GLU HB3 H 1 2.357 0.000 . 2 . . . . 67 E HB3 . 17354 1 790 . 1 1 67 67 GLU HG2 H 1 2.260 0.000 . 2 . . . . 67 E HG2 . 17354 1 791 . 1 1 67 67 GLU HG3 H 1 2.493 0.000 . 2 . . . . 67 E HG3 . 17354 1 792 . 1 1 67 67 GLU C C 13 179.994 0.000 . 1 . . . . 67 E C . 17354 1 793 . 1 1 67 67 GLU CA C 13 58.939 0.034 . 1 . . . . 67 E CA . 17354 1 794 . 1 1 67 67 GLU CB C 13 29.908 0.000 . 1 . . . . 67 E CB . 17354 1 795 . 1 1 67 67 GLU CG C 13 36.903 0.000 . 1 . . . . 67 E CG . 17354 1 796 . 1 1 67 67 GLU N N 15 123.511 0.009 . 1 . . . . 67 E N . 17354 1 797 . 1 1 68 68 PHE H H 1 8.682 0.006 . 1 . . . . 68 F HN . 17354 1 798 . 1 1 68 68 PHE HA H 1 4.085 0.009 . 1 . . . . 68 F HA . 17354 1 799 . 1 1 68 68 PHE HB2 H 1 3.175 0.011 . . . . . . 68 F HB# . 17354 1 800 . 1 1 68 68 PHE HB3 H 1 3.175 0.011 . . . . . . 68 F HB# . 17354 1 801 . 1 1 68 68 PHE HD1 H 1 6.960 0.009 . . . . . . 68 F HD# . 17354 1 802 . 1 1 68 68 PHE HD2 H 1 6.960 0.009 . . . . . . 68 F HD# . 17354 1 803 . 1 1 68 68 PHE HE1 H 1 7.230 0.011 . . . . . . 68 F HE# . 17354 1 804 . 1 1 68 68 PHE HE2 H 1 7.230 0.011 . . . . . . 68 F HE# . 17354 1 805 . 1 1 68 68 PHE HZ H 1 7.130 0.700 . 1 . . . . 68 F HZ . 17354 1 806 . 1 1 68 68 PHE C C 13 176.165 0.000 . 1 . . . . 68 F C . 17354 1 807 . 1 1 68 68 PHE CA C 13 61.510 0.024 . 1 . . . . 68 F CA . 17354 1 808 . 1 1 68 68 PHE CB C 13 39.181 0.008 . 1 . . . . 68 F CB . 17354 1 809 . 1 1 68 68 PHE N N 15 120.923 0.027 . 1 . . . . 68 F N . 17354 1 810 . 1 1 69 69 CYS H H 1 8.324 0.006 . 1 . . . . 69 C HN . 17354 1 811 . 1 1 69 69 CYS HA H 1 3.349 0.009 . 1 . . . . 69 C HA . 17354 1 812 . 1 1 69 69 CYS HB2 H 1 2.786 0.012 . 2 . . . . 69 C HB2 . 17354 1 813 . 1 1 69 69 CYS HB3 H 1 2.334 0.011 . 2 . . . . 69 C HB3 . 17354 1 814 . 1 1 69 69 CYS C C 13 176.326 0.000 . 1 . . . . 69 C C . 17354 1 815 . 1 1 69 69 CYS CA C 13 65.099 0.024 . 1 . . . . 69 C CA . 17354 1 816 . 1 1 69 69 CYS CB C 13 26.522 0.008 . 1 . . . . 69 C CB . 17354 1 817 . 1 1 69 69 CYS N N 15 117.716 0.027 . 1 . . . . 69 C N . 17354 1 818 . 1 1 70 70 GLY H H 1 7.691 0.002 . 1 . . . . 70 G HN . 17354 1 819 . 1 1 70 70 GLY HA2 H 1 3.737 0.010 . . . . . . 70 G HA1 . 17354 1 820 . 1 1 70 70 GLY HA3 H 1 3.807 0.011 . 2 . . . . 70 G HA2 . 17354 1 821 . 1 1 70 70 GLY C C 13 176.342 0.000 . 1 . . . . 70 G C . 17354 1 822 . 1 1 70 70 GLY CA C 13 47.087 0.047 . 1 . . . . 70 G CA . 17354 1 823 . 1 1 70 70 GLY N N 15 106.441 0.008 . 1 . . . . 70 G N . 17354 1 824 . 1 1 71 71 ILE H H 1 7.548 0.003 . 1 . . . . 71 I HN . 17354 1 825 . 1 1 71 71 ILE HA H 1 3.588 0.001 . 1 . . . . 71 I HA . 17354 1 826 . 1 1 71 71 ILE HB H 1 1.813 0.000 . 1 . . . . 71 I HB . 17354 1 827 . 1 1 71 71 ILE HG12 H 1 1.066 0.000 . 2 . . . . 71 I HG12 . 17354 1 828 . 1 1 71 71 ILE HG13 H 1 1.713 0.000 . 2 . . . . 71 I HG13 . 17354 1 829 . 1 1 71 71 ILE HG21 H 1 0.801 0.002 . . . . . . 71 I HG2# . 17354 1 830 . 1 1 71 71 ILE HG22 H 1 0.801 0.002 . . . . . . 71 I HG2# . 17354 1 831 . 1 1 71 71 ILE HG23 H 1 0.801 0.002 . . . . . . 71 I HG2# . 17354 1 832 . 1 1 71 71 ILE HD11 H 1 0.815 0.002 . . . . . . 71 I HD1# . 17354 1 833 . 1 1 71 71 ILE HD12 H 1 0.815 0.002 . . . . . . 71 I HD1# . 17354 1 834 . 1 1 71 71 ILE HD13 H 1 0.815 0.002 . . . . . . 71 I HD1# . 17354 1 835 . 1 1 71 71 ILE C C 13 177.912 0.000 . 1 . . . . 71 I C . 17354 1 836 . 1 1 71 71 ILE CA C 13 65.248 0.000 . 1 . . . . 71 I CA . 17354 1 837 . 1 1 71 71 ILE CB C 13 38.346 0.000 . 1 . . . . 71 I CB . 17354 1 838 . 1 1 71 71 ILE CG1 C 13 29.613 0.000 . 1 . . . . 71 I CG1 . 17354 1 839 . 1 1 71 71 ILE CG2 C 13 17.383 0.016 . 1 . . . . 71 I CG2 . 17354 1 840 . 1 1 71 71 ILE CD1 C 13 14.876 0.005 . 1 . . . . 71 I CD1 . 17354 1 841 . 1 1 71 71 ILE N N 15 124.033 0.060 . 1 . . . . 71 I N . 17354 1 842 . 1 1 72 72 MET H H 1 7.722 0.003 . 1 . . . . 72 M HN . 17354 1 843 . 1 1 72 72 MET HA H 1 3.972 0.000 . 1 . . . . 72 M HA . 17354 1 844 . 1 1 72 72 MET HB2 H 1 1.515 0.000 . 2 . . . . 72 M HB2 . 17354 1 845 . 1 1 72 72 MET HB3 H 1 1.407 0.000 . 2 . . . . 72 M HB3 . 17354 1 846 . 1 1 72 72 MET HG2 H 1 0.928 0.000 . 2 . . . . 72 M HG2 . 17354 1 847 . 1 1 72 72 MET HG3 H 1 1.042 0.000 . 2 . . . . 72 M HG3 . 17354 1 848 . 1 1 72 72 MET HE1 H 1 1.530 0.062 . . . . . . 72 M HE# . 17354 1 849 . 1 1 72 72 MET HE2 H 1 1.530 0.062 . . . . . . 72 M HE# . 17354 1 850 . 1 1 72 72 MET HE3 H 1 1.530 0.062 . . . . . . 72 M HE# . 17354 1 851 . 1 1 72 72 MET C C 13 178.436 0.000 . 1 . . . . 72 M C . 17354 1 852 . 1 1 72 72 MET CA C 13 56.043 0.000 . 1 . . . . 72 M CA . 17354 1 853 . 1 1 72 72 MET CB C 13 30.381 0.000 . 1 . . . . 72 M CB . 17354 1 854 . 1 1 72 72 MET CG C 13 32.413 0.000 . 1 . . . . 72 M CG . 17354 1 855 . 1 1 72 72 MET CE C 13 16.843 0.020 . 1 . . . . 72 M CE . 17354 1 856 . 1 1 72 72 MET N N 15 117.948 0.020 . 1 . . . . 72 M N . 17354 1 857 . 1 1 73 73 ALA H H 1 8.363 0.003 . 1 . . . . 73 A HN . 17354 1 858 . 1 1 73 73 ALA HA H 1 3.985 0.002 . 1 . . . . 73 A HA . 17354 1 859 . 1 1 73 73 ALA HB1 H 1 1.424 0.000 . . . . . . 73 A HB# . 17354 1 860 . 1 1 73 73 ALA HB2 H 1 1.424 0.000 . . . . . . 73 A HB# . 17354 1 861 . 1 1 73 73 ALA HB3 H 1 1.424 0.000 . . . . . . 73 A HB# . 17354 1 862 . 1 1 73 73 ALA C C 13 179.913 0.000 . 1 . . . . 73 A C . 17354 1 863 . 1 1 73 73 ALA CA C 13 55.218 0.018 . 1 . . . . 73 A CA . 17354 1 864 . 1 1 73 73 ALA CB C 13 18.002 0.000 . 1 . . . . 73 A CB . 17354 1 865 . 1 1 73 73 ALA N N 15 120.599 0.022 . 1 . . . . 73 A N . 17354 1 866 . 1 1 74 74 LYS H H 1 7.403 0.002 . 1 . . . . 74 K HN . 17354 1 867 . 1 1 74 74 LYS HA H 1 3.970 0.007 . 1 . . . . 74 K HA . 17354 1 868 . 1 1 74 74 LYS HB2 H 1 1.871 0.000 . 2 . . . . 74 K HB2 . 17354 1 869 . 1 1 74 74 LYS HB3 H 1 1.906 0.000 . 2 . . . . 74 K HB3 . 17354 1 870 . 1 1 74 74 LYS HG2 H 1 1.374 0.000 . 2 . . . . 74 K HG2 . 17354 1 871 . 1 1 74 74 LYS HG3 H 1 1.502 0.000 . 2 . . . . 74 K HG3 . 17354 1 872 . 1 1 74 74 LYS HD2 H 1 1.617 0.000 . . . . . . 74 K HD# . 17354 1 873 . 1 1 74 74 LYS HD3 H 1 1.617 0.000 . . . . . . 74 K HD# . 17354 1 874 . 1 1 74 74 LYS HE2 H 1 2.903 0.000 . . . . . . 74 K HE# . 17354 1 875 . 1 1 74 74 LYS HE3 H 1 2.903 0.000 . . . . . . 74 K HE# . 17354 1 876 . 1 1 74 74 LYS C C 13 178.427 0.000 . 1 . . . . 74 K C . 17354 1 877 . 1 1 74 74 LYS CA C 13 59.131 0.045 . 1 . . . . 74 K CA . 17354 1 878 . 1 1 74 74 LYS CB C 13 32.454 0.045 . 1 . . . . 74 K CB . 17354 1 879 . 1 1 74 74 LYS CG C 13 25.203 0.000 . 1 . . . . 74 K CG . 17354 1 880 . 1 1 74 74 LYS CD C 13 29.503 0.000 . 1 . . . . 74 K CD . 17354 1 881 . 1 1 74 74 LYS CE C 13 42.013 0.000 . 1 . . . . 74 K CE . 17354 1 882 . 1 1 74 74 LYS N N 15 117.336 0.039 . 1 . . . . 74 K N . 17354 1 883 . 1 1 75 75 GLN H H 1 8.009 0.002 . 1 . . . . 75 Q HN . 17354 1 884 . 1 1 75 75 GLN HA H 1 4.011 0.002 . 1 . . . . 75 Q HA . 17354 1 885 . 1 1 75 75 GLN HB2 H 1 2.016 0.000 . 2 . . . . 75 Q HB2 . 17354 1 886 . 1 1 75 75 GLN HB3 H 1 2.056 0.000 . 2 . . . . 75 Q HB3 . 17354 1 887 . 1 1 75 75 GLN HG2 H 1 2.303 0.000 . . . . . . 75 Q HG# . 17354 1 888 . 1 1 75 75 GLN HG3 H 1 2.303 0.000 . . . . . . 75 Q HG# . 17354 1 889 . 1 1 75 75 GLN HE21 H 1 6.760 0.003 . 2 . . . . 75 Q HE21 . 17354 1 890 . 1 1 75 75 GLN HE22 H 1 7.360 0.003 . 2 . . . . 75 Q HE22 . 17354 1 891 . 1 1 75 75 GLN C C 13 177.656 0.000 . 1 . . . . 75 Q C . 17354 1 892 . 1 1 75 75 GLN CA C 13 57.305 0.038 . 1 . . . . 75 Q CA . 17354 1 893 . 1 1 75 75 GLN CB C 13 28.195 0.000 . 1 . . . . 75 Q CB . 17354 1 894 . 1 1 75 75 GLN CG C 13 33.063 0.000 . 1 . . . . 75 Q CG . 17354 1 895 . 1 1 75 75 GLN N N 15 118.802 0.018 . 1 . . . . 75 Q N . 17354 1 896 . 1 1 75 75 GLN NE2 N 15 110.000 0.003 . 1 . . . . 75 Q NE2 . 17354 1 897 . 1 1 76 76 MET H H 1 8.034 0.003 . 1 . . . . 76 M HN . 17354 1 898 . 1 1 76 76 MET HA H 1 4.198 0.000 . 1 . . . . 76 M HA . 17354 1 899 . 1 1 76 76 MET HB2 H 1 2.028 0.000 . 2 . . . . 76 M HB2 . 17354 1 900 . 1 1 76 76 MET HB3 H 1 2.221 0.000 . 2 . . . . 76 M HB3 . 17354 1 901 . 1 1 76 76 MET HG2 H 1 2.544 0.000 . 2 . . . . 76 M HG2 . 17354 1 902 . 1 1 76 76 MET HG3 H 1 2.684 0.000 . 2 . . . . 76 M HG3 . 17354 1 903 . 1 1 76 76 MET HE1 H 1 2.104 0.062 . . . . . . 76 M HE# . 17354 1 904 . 1 1 76 76 MET HE2 H 1 2.104 0.062 . . . . . . 76 M HE# . 17354 1 905 . 1 1 76 76 MET HE3 H 1 2.104 0.062 . . . . . . 76 M HE# . 17354 1 906 . 1 1 76 76 MET C C 13 176.615 0.000 . 1 . . . . 76 M C . 17354 1 907 . 1 1 76 76 MET CA C 13 57.128 0.000 . 1 . . . . 76 M CA . 17354 1 908 . 1 1 76 76 MET CB C 13 33.411 0.000 . 1 . . . . 76 M CB . 17354 1 909 . 1 1 76 76 MET CG C 13 32.133 0.000 . 1 . . . . 76 M CG . 17354 1 910 . 1 1 76 76 MET CE C 13 16.861 0.020 . 1 . . . . 76 M CE . 17354 1 911 . 1 1 76 76 MET N N 15 116.809 0.020 . 1 . . . . 76 M N . 17354 1 912 . 1 1 77 77 ARG H H 1 7.633 0.002 . 1 . . . . 77 R HN . 17354 1 913 . 1 1 77 77 ARG HA H 1 4.265 0.000 . 1 . . . . 77 R HA . 17354 1 914 . 1 1 77 77 ARG HB2 H 1 1.906 0.000 . . . . . . 77 R HB# . 17354 1 915 . 1 1 77 77 ARG HB3 H 1 1.906 0.000 . . . . . . 77 R HB# . 17354 1 916 . 1 1 77 77 ARG HG2 H 1 1.682 0.000 . 2 . . . . 77 R HG2 . 17354 1 917 . 1 1 77 77 ARG HG3 H 1 1.730 0.000 . 2 . . . . 77 R HG3 . 17354 1 918 . 1 1 77 77 ARG HD2 H 1 3.203 0.000 . . . . . . 77 R HD# . 17354 1 919 . 1 1 77 77 ARG HD3 H 1 3.203 0.000 . . . . . . 77 R HD# . 17354 1 920 . 1 1 77 77 ARG C C 13 176.856 0.000 . 1 . . . . 77 R C . 17354 1 921 . 1 1 77 77 ARG CA C 13 57.255 0.000 . 1 . . . . 77 R CA . 17354 1 922 . 1 1 77 77 ARG CB C 13 30.674 0.000 . 1 . . . . 77 R CB . 17354 1 923 . 1 1 77 77 ARG CG C 13 27.183 0.000 . 1 . . . . 77 R CG . 17354 1 924 . 1 1 77 77 ARG CD C 13 43.543 0.000 . 1 . . . . 77 R CD . 17354 1 925 . 1 1 77 77 ARG N N 15 120.038 0.044 . 1 . . . . 77 R N . 17354 1 926 . 1 1 78 78 GLU H H 1 8.344 0.002 . 1 . . . . 78 E HN . 17354 1 927 . 1 1 78 78 GLU HA H 1 4.339 0.002 . 1 . . . . 78 E HA . 17354 1 928 . 1 1 78 78 GLU HB2 H 1 1.990 0.000 . 2 . . . . 78 E HB2 . 17354 1 929 . 1 1 78 78 GLU HB3 H 1 2.116 0.000 . 2 . . . . 78 E HB3 . 17354 1 930 . 1 1 78 78 GLU HG2 H 1 2.275 0.000 . 2 . . . . 78 E HG2 . 17354 1 931 . 1 1 78 78 GLU HG3 H 1 2.364 0.000 . 2 . . . . 78 E HG3 . 17354 1 932 . 1 1 78 78 GLU C C 13 176.976 0.000 . 1 . . . . 78 E C . 17354 1 933 . 1 1 78 78 GLU CA C 13 57.043 0.034 . 1 . . . . 78 E CA . 17354 1 934 . 1 1 78 78 GLU CB C 13 30.033 0.000 . 1 . . . . 78 E CB . 17354 1 935 . 1 1 78 78 GLU CG C 13 35.973 0.000 . 1 . . . . 78 E CG . 17354 1 936 . 1 1 78 78 GLU N N 15 121.600 0.009 . 1 . . . . 78 E N . 17354 1 937 . 1 1 79 79 THR H H 1 8.211 0.003 . 1 . . . . 79 T HN . 17354 1 938 . 1 1 79 79 THR HA H 1 4.313 0.011 . 1 . . . . 79 T HA . 17354 1 939 . 1 1 79 79 THR HB H 1 4.251 0.007 . 1 . . . . 79 T HB . 17354 1 940 . 1 1 79 79 THR HG21 H 1 1.228 0.009 . . . . . . 79 T HG2# . 17354 1 941 . 1 1 79 79 THR HG22 H 1 1.228 0.009 . . . . . . 79 T HG2# . 17354 1 942 . 1 1 79 79 THR HG23 H 1 1.228 0.009 . . . . . . 79 T HG2# . 17354 1 943 . 1 1 79 79 THR C C 13 174.379 0.000 . 1 . . . . 79 T C . 17354 1 944 . 1 1 79 79 THR CA C 13 62.473 0.021 . 1 . . . . 79 T CA . 17354 1 945 . 1 1 79 79 THR CB C 13 69.753 0.021 . 1 . . . . 79 T CB . 17354 1 946 . 1 1 79 79 THR CG2 C 13 21.753 0.006 . 1 . . . . 79 T CG2 . 17354 1 947 . 1 1 79 79 THR N N 15 116.027 0.020 . 1 . . . . 79 T N . 17354 1 948 . 1 1 80 80 ASP H H 1 8.530 0.000 . 1 . . . . 80 D HN . 17354 1 949 . 1 1 80 80 ASP HA H 1 4.746 0.000 . 1 . . . . 80 D HA . 17354 1 950 . 1 1 80 80 ASP HB2 H 1 2.770 0.000 . 2 . . . . 80 D HB2 . 17354 1 951 . 1 1 80 80 ASP HB3 H 1 2.719 0.000 . 2 . . . . 80 D HB3 . 17354 1 952 . 1 1 80 80 ASP C C 13 176.806 0.000 . 1 . . . . 80 D C . 17354 1 953 . 1 1 80 80 ASP CA C 13 54.811 0.000 . 1 . . . . 80 D CA . 17354 1 954 . 1 1 80 80 ASP CB C 13 41.183 0.000 . 1 . . . . 80 D CB . 17354 1 955 . 1 1 80 80 ASP N N 15 123.851 0.000 . 1 . . . . 80 D N . 17354 1 956 . 1 1 81 81 THR H H 1 8.333 0.003 . 1 . . . . 81 T HN . 17354 1 957 . 1 1 81 81 THR HA H 1 4.319 0.011 . 1 . . . . 81 T HA . 17354 1 958 . 1 1 81 81 THR HB H 1 4.444 0.007 . 1 . . . . 81 T HB . 17354 1 959 . 1 1 81 81 THR HG21 H 1 1.290 0.009 . . . . . . 81 T HG2# . 17354 1 960 . 1 1 81 81 THR HG22 H 1 1.290 0.009 . . . . . . 81 T HG2# . 17354 1 961 . 1 1 81 81 THR HG23 H 1 1.290 0.009 . . . . . . 81 T HG2# . 17354 1 962 . 1 1 81 81 THR C C 13 175.438 0.000 . 1 . . . . 81 T C . 17354 1 963 . 1 1 81 81 THR CA C 13 63.093 0.021 . 1 . . . . 81 T CA . 17354 1 964 . 1 1 81 81 THR CB C 13 69.993 0.021 . 1 . . . . 81 T CB . 17354 1 965 . 1 1 81 81 THR CG2 C 13 21.843 0.006 . 1 . . . . 81 T CG2 . 17354 1 966 . 1 1 81 81 THR N N 15 114.845 0.020 . 1 . . . . 81 T N . 17354 1 967 . 1 1 82 82 GLU H H 1 8.495 0.002 . 1 . . . . 82 E HN . 17354 1 968 . 1 1 82 82 GLU HA H 1 4.175 0.002 . 1 . . . . 82 E HA . 17354 1 969 . 1 1 82 82 GLU HB2 H 1 2.153 0.000 . . . . . . 82 E HB# . 17354 1 970 . 1 1 82 82 GLU HB3 H 1 2.153 0.000 . . . . . . 82 E HB# . 17354 1 971 . 1 1 82 82 GLU HG2 H 1 2.286 0.000 . 2 . . . . 82 E HG2 . 17354 1 972 . 1 1 82 82 GLU HG3 H 1 2.474 0.000 . 2 . . . . 82 E HG3 . 17354 1 973 . 1 1 82 82 GLU C C 13 177.756 0.000 . 1 . . . . 82 E C . 17354 1 974 . 1 1 82 82 GLU CA C 13 59.194 0.034 . 1 . . . . 82 E CA . 17354 1 975 . 1 1 82 82 GLU CB C 13 29.413 0.000 . 1 . . . . 82 E CB . 17354 1 976 . 1 1 82 82 GLU CG C 13 36.193 0.000 . 1 . . . . 82 E CG . 17354 1 977 . 1 1 82 82 GLU N N 15 122.584 0.009 . 1 . . . . 82 E N . 17354 1 978 . 1 1 83 83 GLU H H 1 8.366 0.002 . 1 . . . . 83 E HN . 17354 1 979 . 1 1 83 83 GLU HA H 1 4.023 0.002 . 1 . . . . 83 E HA . 17354 1 980 . 1 1 83 83 GLU HB2 H 1 2.050 0.000 . 2 . . . . 83 E HB2 . 17354 1 981 . 1 1 83 83 GLU HB3 H 1 2.100 0.000 . 2 . . . . 83 E HB3 . 17354 1 982 . 1 1 83 83 GLU HG2 H 1 2.320 0.000 . 2 . . . . 83 E HG2 . 17354 1 983 . 1 1 83 83 GLU HG3 H 1 2.360 0.000 . 2 . . . . 83 E HG3 . 17354 1 984 . 1 1 83 83 GLU C C 13 178.908 0.000 . 1 . . . . 83 E C . 17354 1 985 . 1 1 83 83 GLU CA C 13 59.662 0.034 . 1 . . . . 83 E CA . 17354 1 986 . 1 1 83 83 GLU CB C 13 29.403 0.000 . 1 . . . . 83 E CB . 17354 1 987 . 1 1 83 83 GLU CG C 13 36.463 1.000 . 1 . . . . 83 E CG . 17354 1 988 . 1 1 83 83 GLU N N 15 118.951 0.009 . 1 . . . . 83 E N . 17354 1 989 . 1 1 84 84 GLU H H 1 8.116 0.002 . 1 . . . . 84 E HN . 17354 1 990 . 1 1 84 84 GLU HA H 1 4.130 0.002 . 1 . . . . 84 E HA . 17354 1 991 . 1 1 84 84 GLU HB2 H 1 2.120 0.000 . 2 . . . . 84 E HB2 . 17354 1 992 . 1 1 84 84 GLU HB3 H 1 2.260 0.000 . 2 . . . . 84 E HB3 . 17354 1 993 . 1 1 84 84 GLU HG2 H 1 2.350 0.000 . 2 . . . . 84 E HG2 . 17354 1 994 . 1 1 84 84 GLU HG3 H 1 2.450 0.000 . 2 . . . . 84 E HG3 . 17354 1 995 . 1 1 84 84 GLU C C 13 179.742 0.000 . 1 . . . . 84 E C . 17354 1 996 . 1 1 84 84 GLU CA C 13 59.413 0.034 . 1 . . . . 84 E CA . 17354 1 997 . 1 1 84 84 GLU CB C 13 29.522 0.000 . 1 . . . . 84 E CB . 17354 1 998 . 1 1 84 84 GLU CG C 13 36.463 1.000 . 1 . . . . 84 E CG . 17354 1 999 . 1 1 84 84 GLU N N 15 119.061 0.009 . 1 . . . . 84 E N . 17354 1 1000 . 1 1 85 85 MET H H 1 8.385 0.003 . 1 . . . . 85 M HN . 17354 1 1001 . 1 1 85 85 MET HA H 1 4.508 0.000 . 1 . . . . 85 M HA . 17354 1 1002 . 1 1 85 85 MET HB2 H 1 2.684 0.000 . 2 . . . . 85 M HB2 . 17354 1 1003 . 1 1 85 85 MET HB3 H 1 2.221 0.000 . 2 . . . . 85 M HB3 . 17354 1 1004 . 1 1 85 85 MET HG2 H 1 2.596 0.000 . 2 . . . . 85 M HG2 . 17354 1 1005 . 1 1 85 85 MET HG3 H 1 2.863 0.000 . 2 . . . . 85 M HG3 . 17354 1 1006 . 1 1 85 85 MET HE1 H 1 2.003 0.062 . . . . . . 85 M HE# . 17354 1 1007 . 1 1 85 85 MET HE2 H 1 2.003 0.062 . . . . . . 85 M HE# . 17354 1 1008 . 1 1 85 85 MET HE3 H 1 2.003 0.062 . . . . . . 85 M HE# . 17354 1 1009 . 1 1 85 85 MET C C 13 178.433 0.000 . 1 . . . . 85 M C . 17354 1 1010 . 1 1 85 85 MET CA C 13 58.963 0.000 . 1 . . . . 85 M CA . 17354 1 1011 . 1 1 85 85 MET CB C 13 32.943 0.000 . 1 . . . . 85 M CB . 17354 1 1012 . 1 1 85 85 MET CG C 13 33.143 0.000 . 1 . . . . 85 M CG . 17354 1 1013 . 1 1 85 85 MET CE C 13 17.412 0.020 . 1 . . . . 85 M CE . 17354 1 1014 . 1 1 85 85 MET N N 15 120.602 0.020 . 1 . . . . 85 M N . 17354 1 1015 . 1 1 86 86 ARG H H 1 8.604 0.002 . 1 . . . . 86 R HN . 17354 1 1016 . 1 1 86 86 ARG HA H 1 4.090 0.000 . 1 . . . . 86 R HA . 17354 1 1017 . 1 1 86 86 ARG HB2 H 1 1.761 0.000 . 2 . . . . 86 R HB2 . 17354 1 1018 . 1 1 86 86 ARG HB3 H 1 2.049 0.000 . 2 . . . . 86 R HB3 . 17354 1 1019 . 1 1 86 86 ARG HG2 H 1 1.515 0.000 . 2 . . . . 86 R HG2 . 17354 1 1020 . 1 1 86 86 ARG HG3 H 1 1.761 0.000 . 2 . . . . 86 R HG3 . 17354 1 1021 . 1 1 86 86 ARG HD2 H 1 2.794 0.000 . 2 . . . . 86 R HD2 . 17354 1 1022 . 1 1 86 86 ARG HD3 H 1 2.858 0.000 . 2 . . . . 86 R HD3 . 17354 1 1023 . 1 1 86 86 ARG C C 13 179.516 0.000 . 1 . . . . 86 R C . 17354 1 1024 . 1 1 86 86 ARG CA C 13 59.563 0.000 . 1 . . . . 86 R CA . 17354 1 1025 . 1 1 86 86 ARG CB C 13 29.774 0.000 . 1 . . . . 86 R CB . 17354 1 1026 . 1 1 86 86 ARG CG C 13 27.093 0.000 . 1 . . . . 86 R CG . 17354 1 1027 . 1 1 86 86 ARG CD C 13 42.933 0.000 . 1 . . . . 86 R CD . 17354 1 1028 . 1 1 86 86 ARG N N 15 120.667 0.044 . 1 . . . . 86 R N . 17354 1 1029 . 1 1 87 87 GLU H H 1 8.085 0.002 . 1 . . . . 87 E HN . 17354 1 1030 . 1 1 87 87 GLU HA H 1 4.065 0.002 . 1 . . . . 87 E HA . 17354 1 1031 . 1 1 87 87 GLU HB2 H 1 2.132 0.000 . 2 . . . . 87 E HB2 . 17354 1 1032 . 1 1 87 87 GLU HB3 H 1 2.158 0.000 . 2 . . . . 87 E HB3 . 17354 1 1033 . 1 1 87 87 GLU HG2 H 1 2.474 0.000 . . . . . . 87 E HG# . 17354 1 1034 . 1 1 87 87 GLU HG3 H 1 2.474 0.000 . . . . . . 87 E HG# . 17354 1 1035 . 1 1 87 87 GLU C C 13 178.863 0.000 . 1 . . . . 87 E C . 17354 1 1036 . 1 1 87 87 GLU CA C 13 59.103 0.034 . 1 . . . . 87 E CA . 17354 1 1037 . 1 1 87 87 GLU CB C 13 29.266 0.000 . 1 . . . . 87 E CB . 17354 1 1038 . 1 1 87 87 GLU CG C 13 35.973 0.000 . 1 . . . . 87 E CG . 17354 1 1039 . 1 1 87 87 GLU N N 15 119.088 0.009 . 1 . . . . 87 E N . 17354 1 1040 . 1 1 88 88 ALA H H 1 8.142 0.003 . 1 . . . . 88 A HN . 17354 1 1041 . 1 1 88 88 ALA HA H 1 4.207 0.002 . 1 . . . . 88 A HA . 17354 1 1042 . 1 1 88 88 ALA HB1 H 1 1.786 0.000 . . . . . . 88 A HB# . 17354 1 1043 . 1 1 88 88 ALA HB2 H 1 1.786 0.000 . . . . . . 88 A HB# . 17354 1 1044 . 1 1 88 88 ALA HB3 H 1 1.786 0.000 . . . . . . 88 A HB# . 17354 1 1045 . 1 1 88 88 ALA C C 13 179.054 0.000 . 1 . . . . 88 A C . 17354 1 1046 . 1 1 88 88 ALA CA C 13 55.190 0.018 . 1 . . . . 88 A CA . 17354 1 1047 . 1 1 88 88 ALA CB C 13 17.942 0.000 . 1 . . . . 88 A CB . 17354 1 1048 . 1 1 88 88 ALA N N 15 122.357 0.022 . 1 . . . . 88 A N . 17354 1 1049 . 1 1 89 89 PHE H H 1 8.517 0.006 . 1 . . . . 89 F HN . 17354 1 1050 . 1 1 89 89 PHE HA H 1 3.091 0.009 . 1 . . . . 89 F HA . 17354 1 1051 . 1 1 89 89 PHE HB2 H 1 3.045 0.011 . 2 . . . . 89 F HB2 . 17354 1 1052 . 1 1 89 89 PHE HB3 H 1 3.135 0.011 . 2 . . . . 89 F HB3 . 17354 1 1053 . 1 1 89 89 PHE HD1 H 1 7.230 0.009 . . . . . . 89 F HD# . 17354 1 1054 . 1 1 89 89 PHE HD2 H 1 7.230 0.009 . . . . . . 89 F HD# . 17354 1 1055 . 1 1 89 89 PHE HE1 H 1 6.930 0.011 . . . . . . 89 F HE# . 17354 1 1056 . 1 1 89 89 PHE HE2 H 1 6.930 0.011 . . . . . . 89 F HE# . 17354 1 1057 . 1 1 89 89 PHE HZ H 1 6.980 0.700 . 1 . . . . 89 F HZ . 17354 1 1058 . 1 1 89 89 PHE C C 13 176.467 0.000 . 1 . . . . 89 F C . 17354 1 1059 . 1 1 89 89 PHE CA C 13 62.105 0.024 . 1 . . . . 89 F CA . 17354 1 1060 . 1 1 89 89 PHE CB C 13 39.461 0.008 . 1 . . . . 89 F CB . 17354 1 1061 . 1 1 89 89 PHE N N 15 118.951 0.027 . 1 . . . . 89 F N . 17354 1 1062 . 1 1 90 90 LYS H H 1 7.557 0.002 . 1 . . . . 90 K HN . 17354 1 1063 . 1 1 90 90 LYS HA H 1 3.869 0.007 . 1 . . . . 90 K HA . 17354 1 1064 . 1 1 90 90 LYS HB2 H 1 1.934 0.000 . . . . . . 90 K HB# . 17354 1 1065 . 1 1 90 90 LYS HB3 H 1 1.934 0.000 . . . . . . 90 K HB# . 17354 1 1066 . 1 1 90 90 LYS HG2 H 1 1.515 0.000 . 2 . . . . 90 K HG2 . 17354 1 1067 . 1 1 90 90 LYS HG3 H 1 1.759 0.000 . 2 . . . . 90 K HG3 . 17354 1 1068 . 1 1 90 90 LYS HD2 H 1 1.700 0.000 . . . . . . 90 K HD# . 17354 1 1069 . 1 1 90 90 LYS HD3 H 1 1.700 0.000 . . . . . . 90 K HD# . 17354 1 1070 . 1 1 90 90 LYS HE2 H 1 2.924 0.000 . . . . . . 90 K HE# . 17354 1 1071 . 1 1 90 90 LYS HE3 H 1 2.924 0.000 . . . . . . 90 K HE# . 17354 1 1072 . 1 1 90 90 LYS C C 13 177.972 0.000 . 1 . . . . 90 K C . 17354 1 1073 . 1 1 90 90 LYS CA C 13 59.042 0.045 . 1 . . . . 90 K CA . 17354 1 1074 . 1 1 90 90 LYS CB C 13 32.666 0.045 . 1 . . . . 90 K CB . 17354 1 1075 . 1 1 90 90 LYS CG C 13 25.473 0.000 . 1 . . . . 90 K CG . 17354 1 1076 . 1 1 90 90 LYS CD C 13 29.583 0.000 . 1 . . . . 90 K CD . 17354 1 1077 . 1 1 90 90 LYS CE C 13 42.023 0.000 . 1 . . . . 90 K CE . 17354 1 1078 . 1 1 90 90 LYS N N 15 115.324 0.039 . 1 . . . . 90 K N . 17354 1 1079 . 1 1 91 91 ILE H H 1 7.376 0.003 . 1 . . . . 91 I HN . 17354 1 1080 . 1 1 91 91 ILE HA H 1 3.594 0.001 . 1 . . . . 91 I HA . 17354 1 1081 . 1 1 91 91 ILE HB H 1 2.022 0.000 . 1 . . . . 91 I HB . 17354 1 1082 . 1 1 91 91 ILE HG12 H 1 1.210 0.000 . 2 . . . . 91 I HG12 . 17354 1 1083 . 1 1 91 91 ILE HG13 H 1 1.658 0.000 . 2 . . . . 91 I HG13 . 17354 1 1084 . 1 1 91 91 ILE HG21 H 1 0.648 0.002 . . . . . . 91 I HG2# . 17354 1 1085 . 1 1 91 91 ILE HG22 H 1 0.648 0.002 . . . . . . 91 I HG2# . 17354 1 1086 . 1 1 91 91 ILE HG23 H 1 0.648 0.002 . . . . . . 91 I HG2# . 17354 1 1087 . 1 1 91 91 ILE HD11 H 1 0.827 0.002 . . . . . . 91 I HD1# . 17354 1 1088 . 1 1 91 91 ILE HD12 H 1 0.827 0.002 . . . . . . 91 I HD1# . 17354 1 1089 . 1 1 91 91 ILE HD13 H 1 0.827 0.002 . . . . . . 91 I HD1# . 17354 1 1090 . 1 1 91 91 ILE C C 13 177.206 0.000 . 1 . . . . 91 I C . 17354 1 1091 . 1 1 91 91 ILE CA C 13 63.655 0.000 . 1 . . . . 91 I CA . 17354 1 1092 . 1 1 91 91 ILE CB C 13 37.408 0.000 . 1 . . . . 91 I CB . 17354 1 1093 . 1 1 91 91 ILE CG1 C 13 28.623 0.000 . 1 . . . . 91 I CG1 . 17354 1 1094 . 1 1 91 91 ILE CG2 C 13 16.913 0.016 . 1 . . . . 91 I CG2 . 17354 1 1095 . 1 1 91 91 ILE CD1 C 13 12.792 0.005 . 1 . . . . 91 I CD1 . 17354 1 1096 . 1 1 91 91 ILE N N 15 117.994 0.060 . 1 . . . . 91 I N . 17354 1 1097 . 1 1 92 92 PHE H H 1 7.306 0.006 . 1 . . . . 92 F HN . 17354 1 1098 . 1 1 92 92 PHE HA H 1 4.240 0.009 . 1 . . . . 92 F HA . 17354 1 1099 . 1 1 92 92 PHE HB2 H 1 2.597 0.011 . 2 . . . . 92 F HB2 . 17354 1 1100 . 1 1 92 92 PHE HB3 H 1 2.636 0.012 . 2 . . . . 92 F HB3 . 17354 1 1101 . 1 1 92 92 PHE HD1 H 1 7.300 0.024 . . . . . . 92 F HD# . 17354 1 1102 . 1 1 92 92 PHE HD2 H 1 7.300 0.024 . . . . . . 92 F HD# . 17354 1 1103 . 1 1 92 92 PHE HE1 H 1 7.360 0.008 . . . . . . 92 F HE# . 17354 1 1104 . 1 1 92 92 PHE HE2 H 1 7.360 0.008 . . . . . . 92 F HE# . 17354 1 1105 . 1 1 92 92 PHE HZ H 1 6.990 0.700 . 1 . . . . 92 F HZ . 17354 1 1106 . 1 1 92 92 PHE C C 13 176.627 0.000 . 1 . . . . 92 F C . 17354 1 1107 . 1 1 92 92 PHE CA C 13 59.924 0.024 . 1 . . . . 92 F CA . 17354 1 1108 . 1 1 92 92 PHE CB C 13 40.363 0.008 . 1 . . . . 92 F CB . 17354 1 1109 . 1 1 92 92 PHE N N 15 117.091 0.027 . 1 . . . . 92 F N . 17354 1 1110 . 1 1 93 93 ASP H H 1 7.809 0.000 . 1 . . . . 93 D HN . 17354 1 1111 . 1 1 93 93 ASP HA H 1 4.499 0.000 . 1 . . . . 93 D HA . 17354 1 1112 . 1 1 93 93 ASP HB2 H 1 1.417 0.000 . 2 . . . . 93 D HB2 . 17354 1 1113 . 1 1 93 93 ASP HB3 H 1 2.313 0.000 . 2 . . . . 93 D HB3 . 17354 1 1114 . 1 1 93 93 ASP C C 13 176.889 0.000 . 1 . . . . 93 D C . 17354 1 1115 . 1 1 93 93 ASP CA C 13 52.125 0.000 . 1 . . . . 93 D CA . 17354 1 1116 . 1 1 93 93 ASP CB C 13 38.334 0.000 . 1 . . . . 93 D CB . 17354 1 1117 . 1 1 93 93 ASP N N 15 116.600 0.000 . 1 . . . . 93 D N . 17354 1 1118 . 1 1 94 94 ARG H H 1 7.558 0.002 . 1 . . . . 94 R HN . 17354 1 1119 . 1 1 94 94 ARG HA H 1 3.861 0.000 . 1 . . . . 94 R HA . 17354 1 1120 . 1 1 94 94 ARG HB2 H 1 1.720 0.000 . 2 . . . . 94 R HB2 . 17354 1 1121 . 1 1 94 94 ARG HB3 H 1 1.862 0.000 . 2 . . . . 94 R HB3 . 17354 1 1122 . 1 1 94 94 ARG HG2 H 1 1.607 0.000 . 2 . . . . 94 R HG2 . 17354 1 1123 . 1 1 94 94 ARG HG3 H 1 1.723 0.000 . 2 . . . . 94 R HG3 . 17354 1 1124 . 1 1 94 94 ARG HD2 H 1 2.978 0.000 . 2 . . . . 94 R HD2 . 17354 1 1125 . 1 1 94 94 ARG HD3 H 1 3.118 0.000 . 2 . . . . 94 R HD3 . 17354 1 1126 . 1 1 94 94 ARG C C 13 178.098 0.000 . 1 . . . . 94 R C . 17354 1 1127 . 1 1 94 94 ARG CA C 13 58.855 0.000 . 1 . . . . 94 R CA . 17354 1 1128 . 1 1 94 94 ARG CB C 13 30.578 0.000 . 1 . . . . 94 R CB . 17354 1 1129 . 1 1 94 94 ARG CG C 13 26.933 0.000 . 1 . . . . 94 R CG . 17354 1 1130 . 1 1 94 94 ARG CD C 13 42.933 0.000 . 1 . . . . 94 R CD . 17354 1 1131 . 1 1 94 94 ARG N N 15 124.604 0.044 . 1 . . . . 94 R N . 17354 1 1132 . 1 1 95 95 ASP H H 1 8.236 0.000 . 1 . . . . 95 D HN . 17354 1 1133 . 1 1 95 95 ASP HA H 1 4.551 0.000 . 1 . . . . 95 D HA . 17354 1 1134 . 1 1 95 95 ASP HB2 H 1 2.587 0.000 . 2 . . . . 95 D HB2 . 17354 1 1135 . 1 1 95 95 ASP HB3 H 1 3.066 0.000 . 2 . . . . 95 D HB3 . 17354 1 1136 . 1 1 95 95 ASP C C 13 177.768 0.000 . 1 . . . . 95 D C . 17354 1 1137 . 1 1 95 95 ASP CA C 13 53.012 0.000 . 1 . . . . 95 D CA . 17354 1 1138 . 1 1 95 95 ASP CB C 13 39.908 0.000 . 1 . . . . 95 D CB . 17354 1 1139 . 1 1 95 95 ASP N N 15 114.063 0.000 . 1 . . . . 95 D N . 17354 1 1140 . 1 1 96 96 GLY H H 1 7.683 0.002 . 1 . . . . 96 G HN . 17354 1 1141 . 1 1 96 96 GLY HA2 H 1 3.812 0.010 . . . . . . 96 G HA1 . 17354 1 1142 . 1 1 96 96 GLY HA3 H 1 3.880 0.010 . 2 . . . . 96 G HA2 . 17354 1 1143 . 1 1 96 96 GLY C C 13 175.063 0.000 . 1 . . . . 96 G C . 17354 1 1144 . 1 1 96 96 GLY CA C 13 47.428 0.047 . 1 . . . . 96 G CA . 17354 1 1145 . 1 1 96 96 GLY N N 15 109.681 0.008 . 1 . . . . 96 G N . 17354 1 1146 . 1 1 97 97 ASP H H 1 8.486 0.000 . 1 . . . . 97 D HN . 17354 1 1147 . 1 1 97 97 ASP HA H 1 4.473 0.000 . 1 . . . . 97 D HA . 17354 1 1148 . 1 1 97 97 ASP HB2 H 1 3.155 0.000 . 2 . . . . 97 D HB2 . 17354 1 1149 . 1 1 97 97 ASP HB3 H 1 2.580 0.000 . 2 . . . . 97 D HB3 . 17354 1 1150 . 1 1 97 97 ASP C C 13 176.646 0.000 . 1 . . . . 97 D C . 17354 1 1151 . 1 1 97 97 ASP CA C 13 54.089 0.000 . 1 . . . . 97 D CA . 17354 1 1152 . 1 1 97 97 ASP CB C 13 40.442 0.000 . 1 . . . . 97 D CB . 17354 1 1153 . 1 1 97 97 ASP N N 15 121.078 0.000 . 1 . . . . 97 D N . 17354 1 1154 . 1 1 98 98 GLY H H 1 10.407 0.002 . 1 . . . . 98 G HN . 17354 1 1155 . 1 1 98 98 GLY HA2 H 1 3.427 0.010 . . . . . . 98 G HA1 . 17354 1 1156 . 1 1 98 98 GLY HA3 H 1 4.019 0.011 . 2 . . . . 98 G HA2 . 17354 1 1157 . 1 1 98 98 GLY C C 13 172.349 0.000 . 1 . . . . 98 G C . 17354 1 1158 . 1 1 98 98 GLY CA C 13 45.043 0.047 . 1 . . . . 98 G CA . 17354 1 1159 . 1 1 98 98 GLY N N 15 112.407 0.008 . 1 . . . . 98 G N . 17354 1 1160 . 1 1 99 99 PHE H H 1 8.167 0.006 . 1 . . . . 99 F HN . 17354 1 1161 . 1 1 99 99 PHE HA H 1 5.167 0.009 . 1 . . . . 99 F HA . 17354 1 1162 . 1 1 99 99 PHE HB2 H 1 2.739 0.011 . 2 . . . . 99 F HB2 . 17354 1 1163 . 1 1 99 99 PHE HB3 H 1 2.830 0.012 . 2 . . . . 99 F HB3 . 17354 1 1164 . 1 1 99 99 PHE HD1 H 1 6.910 0.011 . . . . . . 99 F HD# . 17354 1 1165 . 1 1 99 99 PHE HD2 H 1 6.910 0.011 . . . . . . 99 F HD# . 17354 1 1166 . 1 1 99 99 PHE HE1 H 1 7.450 0.012 . . . . . . 99 F HE# . 17354 1 1167 . 1 1 99 99 PHE HE2 H 1 7.450 0.012 . . . . . . 99 F HE# . 17354 1 1168 . 1 1 99 99 PHE HZ H 1 6.992 0.700 . 1 . . . . 99 F HZ . 17354 1 1169 . 1 1 99 99 PHE C C 13 174.557 0.000 . 1 . . . . 99 F C . 17354 1 1170 . 1 1 99 99 PHE CA C 13 56.153 0.024 . 1 . . . . 99 F CA . 17354 1 1171 . 1 1 99 99 PHE CB C 13 44.487 0.008 . 1 . . . . 99 F CB . 17354 1 1172 . 1 1 99 99 PHE N N 15 117.125 0.027 . 1 . . . . 99 F N . 17354 1 1173 . 1 1 100 100 ILE H H 1 10.262 0.003 . 1 . . . . 100 I HN . 17354 1 1174 . 1 1 100 100 ILE HA H 1 4.766 0.001 . 1 . . . . 100 I HA . 17354 1 1175 . 1 1 100 100 ILE HB H 1 1.939 0.000 . 1 . . . . 100 I HB . 17354 1 1176 . 1 1 100 100 ILE HG12 H 1 0.228 0.000 . 2 . . . . 100 I HG12 . 17354 1 1177 . 1 1 100 100 ILE HG13 H 1 1.233 0.000 . 2 . . . . 100 I HG13 . 17354 1 1178 . 1 1 100 100 ILE HG21 H 1 0.965 0.002 . . . . . . 100 I HG2# . 17354 1 1179 . 1 1 100 100 ILE HG22 H 1 0.965 0.002 . . . . . . 100 I HG2# . 17354 1 1180 . 1 1 100 100 ILE HG23 H 1 0.965 0.002 . . . . . . 100 I HG2# . 17354 1 1181 . 1 1 100 100 ILE HD11 H 1 0.345 0.002 . . . . . . 100 I HD1# . 17354 1 1182 . 1 1 100 100 ILE HD12 H 1 0.345 0.002 . . . . . . 100 I HD1# . 17354 1 1183 . 1 1 100 100 ILE HD13 H 1 0.345 0.002 . . . . . . 100 I HD1# . 17354 1 1184 . 1 1 100 100 ILE C C 13 175.467 0.000 . 1 . . . . 100 I C . 17354 1 1185 . 1 1 100 100 ILE CA C 13 60.534 0.000 . 1 . . . . 100 I CA . 17354 1 1186 . 1 1 100 100 ILE CB C 13 38.837 0.000 . 1 . . . . 100 I CB . 17354 1 1187 . 1 1 100 100 ILE CG1 C 13 26.803 0.000 . 1 . . . . 100 I CG1 . 17354 1 1188 . 1 1 100 100 ILE CG2 C 13 18.063 0.016 . 1 . . . . 100 I CG2 . 17354 1 1189 . 1 1 100 100 ILE CD1 C 13 15.999 0.005 . 1 . . . . 100 I CD1 . 17354 1 1190 . 1 1 100 100 ILE N N 15 126.277 0.060 . 1 . . . . 100 I N . 17354 1 1191 . 1 1 101 101 SER H H 1 9.526 0.003 . 1 . . . . 101 S HN . 17354 1 1192 . 1 1 101 101 SER HA H 1 5.095 0.004 . 1 . . . . 101 S HA . 17354 1 1193 . 1 1 101 101 SER HB2 H 1 4.010 0.010 . 2 . . . . 101 S HB2 . 17354 1 1194 . 1 1 101 101 SER HB3 H 1 4.429 0.010 . 2 . . . . 101 S HB3 . 17354 1 1195 . 1 1 101 101 SER C C 13 173.416 0.000 . 1 . . . . 101 S C . 17354 1 1196 . 1 1 101 101 SER CA C 13 55.900 0.030 . 1 . . . . 101 S CA . 17354 1 1197 . 1 1 101 101 SER CB C 13 63.540 0.007 . 1 . . . . 101 S CB . 17354 1 1198 . 1 1 101 101 SER N N 15 126.018 0.034 . 1 . . . . 101 S N . 17354 1 1199 . 1 1 102 102 PRO HA H 1 4.114 0.000 . 1 . . . . 102 P HA . 17354 1 1200 . 1 1 102 102 PRO HB2 H 1 2.017 0.000 . 2 . . . . 102 P HB2 . 17354 1 1201 . 1 1 102 102 PRO HB3 H 1 2.365 0.000 . 2 . . . . 102 P HB3 . 17354 1 1202 . 1 1 102 102 PRO HG2 H 1 2.098 0.000 . 2 . . . . 102 P HG2 . 17354 1 1203 . 1 1 102 102 PRO HG3 H 1 2.350 0.000 . 2 . . . . 102 P HG3 . 17354 1 1204 . 1 1 102 102 PRO HD2 H 1 4.011 0.003 . 2 . . . . 102 P HD2 . 17354 1 1205 . 1 1 102 102 PRO HD3 H 1 4.057 0.005 . 2 . . . . 102 P HD3 . 17354 1 1206 . 1 1 102 102 PRO CA C 13 66.502 0.000 . 1 . . . . 102 P CA . 17354 1 1207 . 1 1 102 102 PRO CB C 13 31.474 0.000 . 1 . . . . 102 P CB . 17354 1 1208 . 1 1 102 102 PRO CG C 13 28.483 0.000 . 1 . . . . 102 P CG . 17354 1 1209 . 1 1 102 102 PRO CD C 13 49.943 0.014 . 1 . . . . 102 P CD . 17354 1 1210 . 1 1 102 102 PRO N N 15 107.500 0.000 . 1 . . . . 102 P N . 17354 1 1211 . 1 1 103 103 ALA H H 1 8.008 0.003 . 1 . . . . 103 A HN . 17354 1 1212 . 1 1 103 103 ALA HA H 1 4.102 0.002 . 1 . . . . 103 A HA . 17354 1 1213 . 1 1 103 103 ALA HB1 H 1 1.416 0.000 . . . . . . 103 A HB# . 17354 1 1214 . 1 1 103 103 ALA HB2 H 1 1.416 0.000 . . . . . . 103 A HB# . 17354 1 1215 . 1 1 103 103 ALA HB3 H 1 1.416 0.000 . . . . . . 103 A HB# . 17354 1 1216 . 1 1 103 103 ALA C C 13 181.414 0.000 . 1 . . . . 103 A C . 17354 1 1217 . 1 1 103 103 ALA CA C 13 55.157 0.018 . 1 . . . . 103 A CA . 17354 1 1218 . 1 1 103 103 ALA CB C 13 18.656 0.000 . 1 . . . . 103 A CB . 17354 1 1219 . 1 1 103 103 ALA N N 15 117.316 0.022 . 1 . . . . 103 A N . 17354 1 1220 . 1 1 104 104 GLU H H 1 7.979 0.002 . 1 . . . . 104 E HN . 17354 1 1221 . 1 1 104 104 GLU HA H 1 4.070 0.002 . 1 . . . . 104 E HA . 17354 1 1222 . 1 1 104 104 GLU HB2 H 1 2.631 0.002 . 2 . . . . 104 E HB2 . 17354 1 1223 . 1 1 104 104 GLU HB3 H 1 2.669 0.002 . 2 . . . . 104 E HB3 . 17354 1 1224 . 1 1 104 104 GLU HG2 H 1 2.243 0.002 . . . . . . 104 E HG# . 17354 1 1225 . 1 1 104 104 GLU HG3 H 1 2.243 0.002 . . . . . . 104 E HG# . 17354 1 1226 . 1 1 104 104 GLU C C 13 178.662 0.000 . 1 . . . . 104 E C . 17354 1 1227 . 1 1 104 104 GLU CA C 13 59.436 0.034 . 1 . . . . 104 E CA . 17354 1 1228 . 1 1 104 104 GLU CB C 13 29.311 0.000 . 1 . . . . 104 E CB . 17354 1 1229 . 1 1 104 104 GLU CG C 13 37.923 1.000 . 1 . . . . 104 E CG . 17354 1 1230 . 1 1 104 104 GLU N N 15 121.081 0.009 . 1 . . . . 104 E N . 17354 1 1231 . 1 1 105 105 LEU H H 1 8.539 0.003 . 1 . . . . 105 L HN . 17354 1 1232 . 1 1 105 105 LEU HA H 1 4.134 0.001 . 1 . . . . 105 L HA . 17354 1 1233 . 1 1 105 105 LEU HB2 H 1 1.956 0.000 . 2 . . . . 105 L HB2 . 17354 1 1234 . 1 1 105 105 LEU HB3 H 1 1.509 0.000 . 2 . . . . 105 L HB3 . 17354 1 1235 . 1 1 105 105 LEU HG H 1 1.672 0.001 . 1 . . . . 105 L HG . 17354 1 1236 . 1 1 105 105 LEU HD11 H 1 0.947 0.002 . . . . . . 105 L HD1# . 17354 1 1237 . 1 1 105 105 LEU HD12 H 1 0.947 0.002 . . . . . . 105 L HD1# . 17354 1 1238 . 1 1 105 105 LEU HD13 H 1 0.947 0.002 . . . . . . 105 L HD1# . 17354 1 1239 . 1 1 105 105 LEU HD21 H 1 0.943 0.001 . . . . . . 105 L HD2# . 17354 1 1240 . 1 1 105 105 LEU HD22 H 1 0.943 0.001 . . . . . . 105 L HD2# . 17354 1 1241 . 1 1 105 105 LEU HD23 H 1 0.943 0.001 . . . . . . 105 L HD2# . 17354 1 1242 . 1 1 105 105 LEU C C 13 178.194 0.000 . 1 . . . . 105 L C . 17354 1 1243 . 1 1 105 105 LEU CA C 13 58.337 0.024 . 1 . . . . 105 L CA . 17354 1 1244 . 1 1 105 105 LEU CB C 13 42.163 0.000 . 1 . . . . 105 L CB . 17354 1 1245 . 1 1 105 105 LEU CG C 13 27.283 0.000 . 1 . . . . 105 L CG . 17354 1 1246 . 1 1 105 105 LEU CD1 C 13 26.473 0.025 . 2 . . . . 105 L CD1 . 17354 1 1247 . 1 1 105 105 LEU CD2 C 13 24.143 0.018 . 2 . . . . 105 L CD2 . 17354 1 1248 . 1 1 105 105 LEU N N 15 120.648 0.032 . 1 . . . . 105 L N . 17354 1 1249 . 1 1 106 106 ARG H H 1 8.296 0.002 . 1 . . . . 106 R HN . 17354 1 1250 . 1 1 106 106 ARG HA H 1 3.758 0.000 . 1 . . . . 106 R HA . 17354 1 1251 . 1 1 106 106 ARG HB2 H 1 1.903 0.000 . . . . . . 106 R HB# . 17354 1 1252 . 1 1 106 106 ARG HB3 H 1 1.903 0.000 . . . . . . 106 R HB# . 17354 1 1253 . 1 1 106 106 ARG HG2 H 1 1.686 0.000 . 2 . . . . 106 R HG2 . 17354 1 1254 . 1 1 106 106 ARG HG3 H 1 1.733 0.000 . 2 . . . . 106 R HG3 . 17354 1 1255 . 1 1 106 106 ARG HD2 H 1 3.181 0.000 . 2 . . . . 106 R HD2 . 17354 1 1256 . 1 1 106 106 ARG HD3 H 1 3.242 0.000 . 2 . . . . 106 R HD3 . 17354 1 1257 . 1 1 106 106 ARG C C 13 176.930 0.000 . 1 . . . . 106 R C . 17354 1 1258 . 1 1 106 106 ARG CA C 13 60.248 0.000 . 1 . . . . 106 R CA . 17354 1 1259 . 1 1 106 106 ARG CB C 13 30.632 0.000 . 1 . . . . 106 R CB . 17354 1 1260 . 1 1 106 106 ARG CG C 13 27.163 0.000 . 1 . . . . 106 R CG . 17354 1 1261 . 1 1 106 106 ARG CD C 13 43.343 0.000 . 1 . . . . 106 R CD . 17354 1 1262 . 1 1 106 106 ARG N N 15 117.088 0.044 . 1 . . . . 106 R N . 17354 1 1263 . 1 1 107 107 PHE H H 1 7.848 0.006 . 1 . . . . 107 F HN . 17354 1 1264 . 1 1 107 107 PHE HA H 1 4.085 0.009 . 1 . . . . 107 F HA . 17354 1 1265 . 1 1 107 107 PHE HB2 H 1 3.265 0.012 . . . . . . 107 F HB# . 17354 1 1266 . 1 1 107 107 PHE HB3 H 1 3.265 0.012 . . . . . . 107 F HB# . 17354 1 1267 . 1 1 107 107 PHE HD1 H 1 7.200 0.011 . . . . . . 107 F HD# . 17354 1 1268 . 1 1 107 107 PHE HD2 H 1 7.200 0.011 . . . . . . 107 F HD# . 17354 1 1269 . 1 1 107 107 PHE HE1 H 1 7.230 0.012 . . . . . . 107 F HE# . 17354 1 1270 . 1 1 107 107 PHE HE2 H 1 7.230 0.012 . . . . . . 107 F HE# . 17354 1 1271 . 1 1 107 107 PHE HZ H 1 7.130 0.700 . 1 . . . . 107 F HZ . 17354 1 1272 . 1 1 107 107 PHE C C 13 177.920 0.000 . 1 . . . . 107 F C . 17354 1 1273 . 1 1 107 107 PHE CA C 13 61.529 0.024 . 1 . . . . 107 F CA . 17354 1 1274 . 1 1 107 107 PHE CB C 13 39.675 0.008 . 1 . . . . 107 F CB . 17354 1 1275 . 1 1 107 107 PHE N N 15 117.200 0.027 . 1 . . . . 107 F N . 17354 1 1276 . 1 1 108 108 VAL H H 1 8.079 0.003 . 1 . . . . 108 V HN . 17354 1 1277 . 1 1 108 108 VAL HA H 1 3.421 0.005 . 1 . . . . 108 V HA . 17354 1 1278 . 1 1 108 108 VAL HB H 1 2.005 0.006 . 1 . . . . 108 V HB . 17354 1 1279 . 1 1 108 108 VAL HG11 H 1 0.324 0.004 . . . . . . 108 V HG1# . 17354 1 1280 . 1 1 108 108 VAL HG12 H 1 0.324 0.004 . . . . . . 108 V HG1# . 17354 1 1281 . 1 1 108 108 VAL HG13 H 1 0.324 0.004 . . . . . . 108 V HG1# . 17354 1 1282 . 1 1 108 108 VAL HG21 H 1 0.928 0.006 . . . . . . 108 V HG2# . 17354 1 1283 . 1 1 108 108 VAL HG22 H 1 0.928 0.006 . . . . . . 108 V HG2# . 17354 1 1284 . 1 1 108 108 VAL HG23 H 1 0.928 0.006 . . . . . . 108 V HG2# . 17354 1 1285 . 1 1 108 108 VAL C C 13 177.756 0.000 . 1 . . . . 108 V C . 17354 1 1286 . 1 1 108 108 VAL CA C 13 66.513 0.032 . 1 . . . . 108 V CA . 17354 1 1287 . 1 1 108 108 VAL CB C 13 31.673 0.038 . 1 . . . . 108 V CB . 17354 1 1288 . 1 1 108 108 VAL CG1 C 13 20.933 0.015 . 2 . . . . 108 V CG1 . 17354 1 1289 . 1 1 108 108 VAL CG2 C 13 23.373 0.021 . 2 . . . . 108 V CG2 . 17354 1 1290 . 1 1 108 108 VAL N N 15 118.700 0.011 . 1 . . . . 108 V N . 17354 1 1291 . 1 1 109 109 MET H H 1 8.120 0.003 . 1 . . . . 109 M HN . 17354 1 1292 . 1 1 109 109 MET HA H 1 4.100 0.000 . 1 . . . . 109 M HA . 17354 1 1293 . 1 1 109 109 MET HB2 H 1 2.180 0.000 . 2 . . . . 109 M HB2 . 17354 1 1294 . 1 1 109 109 MET HB3 H 1 1.900 0.000 . 2 . . . . 109 M HB3 . 17354 1 1295 . 1 1 109 109 MET HG2 H 1 2.700 0.000 . . . . . . 109 M HG# . 17354 1 1296 . 1 1 109 109 MET HG3 H 1 2.700 0.000 . . . . . . 109 M HG# . 17354 1 1297 . 1 1 109 109 MET HE1 H 1 2.020 0.062 . . . . . . 109 M HE# . 17354 1 1298 . 1 1 109 109 MET HE2 H 1 2.020 0.062 . . . . . . 109 M HE# . 17354 1 1299 . 1 1 109 109 MET HE3 H 1 2.020 0.062 . . . . . . 109 M HE# . 17354 1 1300 . 1 1 109 109 MET C C 13 178.656 0.000 . 1 . . . . 109 M C . 17354 1 1301 . 1 1 109 109 MET CA C 13 58.863 0.000 . 1 . . . . 109 M CA . 17354 1 1302 . 1 1 109 109 MET CB C 13 31.833 0.000 . 1 . . . . 109 M CB . 17354 1 1303 . 1 1 109 109 MET CG C 13 33.483 0.000 . 1 . . . . 109 M CG . 17354 1 1304 . 1 1 109 109 MET CE C 13 17.712 0.020 . 1 . . . . 109 M CE . 17354 1 1305 . 1 1 109 109 MET N N 15 116.600 0.020 . 1 . . . . 109 M N . 17354 1 1306 . 1 1 110 110 ILE H H 1 8.210 0.003 . 1 . . . . 110 I HN . 17354 1 1307 . 1 1 110 110 ILE HA H 1 3.969 0.001 . 1 . . . . 110 I HA . 17354 1 1308 . 1 1 110 110 ILE HB H 1 1.866 0.000 . 1 . . . . 110 I HB . 17354 1 1309 . 1 1 110 110 ILE HG12 H 1 1.259 0.000 . 2 . . . . 110 I HG12 . 17354 1 1310 . 1 1 110 110 ILE HG13 H 1 1.629 0.000 . 2 . . . . 110 I HG13 . 17354 1 1311 . 1 1 110 110 ILE HG21 H 1 0.835 0.002 . . . . . . 110 I HG2# . 17354 1 1312 . 1 1 110 110 ILE HG22 H 1 0.835 0.002 . . . . . . 110 I HG2# . 17354 1 1313 . 1 1 110 110 ILE HG23 H 1 0.835 0.002 . . . . . . 110 I HG2# . 17354 1 1314 . 1 1 110 110 ILE HD11 H 1 0.835 0.002 . . . . . . 110 I HD1# . 17354 1 1315 . 1 1 110 110 ILE HD12 H 1 0.835 0.002 . . . . . . 110 I HD1# . 17354 1 1316 . 1 1 110 110 ILE HD13 H 1 0.835 0.002 . . . . . . 110 I HD1# . 17354 1 1317 . 1 1 110 110 ILE C C 13 180.256 0.000 . 1 . . . . 110 I C . 17354 1 1318 . 1 1 110 110 ILE CA C 13 64.163 0.000 . 1 . . . . 110 I CA . 17354 1 1319 . 1 1 110 110 ILE CB C 13 37.343 0.000 . 1 . . . . 110 I CB . 17354 1 1320 . 1 1 110 110 ILE CG1 C 13 29.143 0.000 . 1 . . . . 110 I CG1 . 17354 1 1321 . 1 1 110 110 ILE CG2 C 13 17.063 0.016 . 1 . . . . 110 I CG2 . 17354 1 1322 . 1 1 110 110 ILE CD1 C 13 12.995 0.005 . 1 . . . . 110 I CD1 . 17354 1 1323 . 1 1 110 110 ILE N N 15 118.400 0.060 . 1 . . . . 110 I N . 17354 1 1324 . 1 1 111 111 ASN H H 1 7.746 0.003 . 1 . . . . 111 N HN . 17354 1 1325 . 1 1 111 111 ASN HA H 1 4.382 0.007 . 1 . . . . 111 N HA . 17354 1 1326 . 1 1 111 111 ASN HB2 H 1 2.551 0.007 . 2 . . . . 111 N HB2 . 17354 1 1327 . 1 1 111 111 ASN HB3 H 1 2.631 0.007 . 2 . . . . 111 N HB3 . 17354 1 1328 . 1 1 111 111 ASN HD21 H 1 6.190 0.003 . 2 . . . . 111 N HD21 . 17354 1 1329 . 1 1 111 111 ASN HD22 H 1 7.210 0.003 . 2 . . . . 111 N HD22 . 17354 1 1330 . 1 1 111 111 ASN CA C 13 56.263 0.023 . 1 . . . . 111 N CA . 17354 1 1331 . 1 1 111 111 ASN CB C 13 38.703 0.023 . 1 . . . . 111 N CB . 17354 1 1332 . 1 1 111 111 ASN N N 15 120.800 0.018 . 1 . . . . 111 N N . 17354 1 1333 . 1 1 111 111 ASN ND2 N 15 112.900 0.003 . 1 . . . . 111 N ND2 . 17354 1 1334 . 1 1 112 112 LEU H H 1 7.965 0.003 . 1 . . . . 112 L HN . 17354 1 1335 . 1 1 112 112 LEU HA H 1 4.313 0.001 . 1 . . . . 112 L HA . 17354 1 1336 . 1 1 112 112 LEU HB2 H 1 1.906 0.000 . 2 . . . . 112 L HB2 . 17354 1 1337 . 1 1 112 112 LEU HB3 H 1 1.695 0.000 . 2 . . . . 112 L HB3 . 17354 1 1338 . 1 1 112 112 LEU HG H 1 1.816 0.001 . 1 . . . . 112 L HG . 17354 1 1339 . 1 1 112 112 LEU HD11 H 1 0.810 0.002 . . . . . . 112 L HD1# . 17354 1 1340 . 1 1 112 112 LEU HD12 H 1 0.810 0.002 . . . . . . 112 L HD1# . 17354 1 1341 . 1 1 112 112 LEU HD13 H 1 0.810 0.002 . . . . . . 112 L HD1# . 17354 1 1342 . 1 1 112 112 LEU HD21 H 1 0.813 0.001 . . . . . . 112 L HD2# . 17354 1 1343 . 1 1 112 112 LEU HD22 H 1 0.813 0.001 . . . . . . 112 L HD2# . 17354 1 1344 . 1 1 112 112 LEU HD23 H 1 0.813 0.001 . . . . . . 112 L HD2# . 17354 1 1345 . 1 1 112 112 LEU C C 13 177.556 0.000 . 1 . . . . 112 L C . 17354 1 1346 . 1 1 112 112 LEU CA C 13 55.363 0.024 . 1 . . . . 112 L CA . 17354 1 1347 . 1 1 112 112 LEU CB C 13 42.382 0.000 . 1 . . . . 112 L CB . 17354 1 1348 . 1 1 112 112 LEU CG C 13 26.363 0.000 . 1 . . . . 112 L CG . 17354 1 1349 . 1 1 112 112 LEU CD1 C 13 25.733 0.025 . 2 . . . . 112 L CD1 . 17354 1 1350 . 1 1 112 112 LEU CD2 C 13 22.453 0.018 . 2 . . . . 112 L CD2 . 17354 1 1351 . 1 1 112 112 LEU N N 15 118.802 0.032 . 1 . . . . 112 L N . 17354 1 1352 . 1 1 113 113 GLY H H 1 7.887 0.002 . 1 . . . . 113 G HN . 17354 1 1353 . 1 1 113 113 GLY HA2 H 1 4.165 0.010 . . . . . . 113 G HA1 . 17354 1 1354 . 1 1 113 113 GLY HA3 H 1 3.744 0.010 . 2 . . . . 113 G HA2 . 17354 1 1355 . 1 1 113 113 GLY C C 13 174.508 0.000 . 1 . . . . 113 G C . 17354 1 1356 . 1 1 113 113 GLY CA C 13 45.500 0.047 . 1 . . . . 113 G CA . 17354 1 1357 . 1 1 113 113 GLY N N 15 107.260 0.008 . 1 . . . . 113 G N . 17354 1 1358 . 1 1 114 114 GLU H H 1 7.889 0.002 . 1 . . . . 114 E HN . 17354 1 1359 . 1 1 114 114 GLU HA H 1 4.316 0.002 . 1 . . . . 114 E HA . 17354 1 1360 . 1 1 114 114 GLU HB2 H 1 1.733 0.000 . 2 . . . . 114 E HB2 . 17354 1 1361 . 1 1 114 114 GLU HB3 H 1 1.957 0.000 . 2 . . . . 114 E HB3 . 17354 1 1362 . 1 1 114 114 GLU HG2 H 1 2.111 0.000 . 2 . . . . 114 E HG2 . 17354 1 1363 . 1 1 114 114 GLU HG3 H 1 2.248 0.000 . 2 . . . . 114 E HG3 . 17354 1 1364 . 1 1 114 114 GLU C C 13 175.790 0.000 . 1 . . . . 114 E C . 17354 1 1365 . 1 1 114 114 GLU CA C 13 55.581 0.034 . 1 . . . . 114 E CA . 17354 1 1366 . 1 1 114 114 GLU CB C 13 30.502 0.000 . 1 . . . . 114 E CB . 17354 1 1367 . 1 1 114 114 GLU CG C 13 35.473 0.000 . 1 . . . . 114 E CG . 17354 1 1368 . 1 1 114 114 GLU N N 15 119.865 0.009 . 1 . . . . 114 E N . 17354 1 1369 . 1 1 115 115 LYS H H 1 8.591 0.002 . 1 . . . . 115 K HN . 17354 1 1370 . 1 1 115 115 LYS HA H 1 4.366 0.007 . 1 . . . . 115 K HA . 17354 1 1371 . 1 1 115 115 LYS HB2 H 1 1.726 0.000 . 2 . . . . 115 K HB2 . 17354 1 1372 . 1 1 115 115 LYS HB3 H 1 1.775 0.000 . 2 . . . . 115 K HB3 . 17354 1 1373 . 1 1 115 115 LYS HG2 H 1 1.331 0.000 . 2 . . . . 115 K HG2 . 17354 1 1374 . 1 1 115 115 LYS HG3 H 1 1.420 0.000 . 2 . . . . 115 K HG3 . 17354 1 1375 . 1 1 115 115 LYS HD2 H 1 1.629 0.000 . 2 . . . . 115 K HD2 . 17354 1 1376 . 1 1 115 115 LYS HD3 H 1 1.657 0.000 . 2 . . . . 115 K HD3 . 17354 1 1377 . 1 1 115 115 LYS HE2 H 1 2.967 0.000 . . . . . . 115 K HE# . 17354 1 1378 . 1 1 115 115 LYS HE3 H 1 2.967 0.000 . . . . . . 115 K HE# . 17354 1 1379 . 1 1 115 115 LYS C C 13 175.643 0.000 . 1 . . . . 115 K C . 17354 1 1380 . 1 1 115 115 LYS CA C 13 55.704 0.045 . 1 . . . . 115 K CA . 17354 1 1381 . 1 1 115 115 LYS CB C 13 31.442 0.045 . 1 . . . . 115 K CB . 17354 1 1382 . 1 1 115 115 LYS CG C 13 24.543 0.000 . 1 . . . . 115 K CG . 17354 1 1383 . 1 1 115 115 LYS CD C 13 28.973 0.000 . 1 . . . . 115 K CD . 17354 1 1384 . 1 1 115 115 LYS CE C 13 42.143 0.000 . 1 . . . . 115 K CE . 17354 1 1385 . 1 1 115 115 LYS N N 15 123.971 0.039 . 1 . . . . 115 K N . 17354 1 1386 . 1 1 116 116 VAL H H 1 7.740 0.003 . 1 . . . . 116 V HN . 17354 1 1387 . 1 1 116 116 VAL HA H 1 4.658 0.005 . 1 . . . . 116 V HA . 17354 1 1388 . 1 1 116 116 VAL HB H 1 2.017 0.006 . 1 . . . . 116 V HB . 17354 1 1389 . 1 1 116 116 VAL HG11 H 1 0.891 0.006 . . . . . . 116 V HG1# . 17354 1 1390 . 1 1 116 116 VAL HG12 H 1 0.891 0.006 . . . . . . 116 V HG1# . 17354 1 1391 . 1 1 116 116 VAL HG13 H 1 0.891 0.006 . . . . . . 116 V HG1# . 17354 1 1392 . 1 1 116 116 VAL HG21 H 1 0.891 0.004 . . . . . . 116 V HG2# . 17354 1 1393 . 1 1 116 116 VAL HG22 H 1 0.891 0.004 . . . . . . 116 V HG2# . 17354 1 1394 . 1 1 116 116 VAL HG23 H 1 0.891 0.004 . . . . . . 116 V HG2# . 17354 1 1395 . 1 1 116 116 VAL C C 13 175.437 0.000 . 1 . . . . 116 V C . 17354 1 1396 . 1 1 116 116 VAL CA C 13 60.027 0.032 . 1 . . . . 116 V CA . 17354 1 1397 . 1 1 116 116 VAL CB C 13 34.660 0.038 . 1 . . . . 116 V CB . 17354 1 1398 . 1 1 116 116 VAL CG1 C 13 21.773 0.021 . 2 . . . . 116 V CG1 . 17354 1 1399 . 1 1 116 116 VAL CG2 C 13 20.183 0.015 . 2 . . . . 116 V CG2 . 17354 1 1400 . 1 1 116 116 VAL N N 15 120.093 0.011 . 1 . . . . 116 V N . 17354 1 1401 . 1 1 117 117 THR H H 1 8.535 0.003 . 1 . . . . 117 T HN . 17354 1 1402 . 1 1 117 117 THR HA H 1 4.587 0.011 . 1 . . . . 117 T HA . 17354 1 1403 . 1 1 117 117 THR HB H 1 4.719 0.007 . 1 . . . . 117 T HB . 17354 1 1404 . 1 1 117 117 THR HG21 H 1 1.288 0.009 . . . . . . 117 T HG2# . 17354 1 1405 . 1 1 117 117 THR HG22 H 1 1.288 0.009 . . . . . . 117 T HG2# . 17354 1 1406 . 1 1 117 117 THR HG23 H 1 1.288 0.009 . . . . . . 117 T HG2# . 17354 1 1407 . 1 1 117 117 THR C C 13 175.305 0.000 . 1 . . . . 117 T C . 17354 1 1408 . 1 1 117 117 THR CA C 13 60.175 0.021 . 1 . . . . 117 T CA . 17354 1 1409 . 1 1 117 117 THR CB C 13 71.671 0.021 . 1 . . . . 117 T CB . 17354 1 1410 . 1 1 117 117 THR CG2 C 13 21.753 0.006 . 1 . . . . 117 T CG2 . 17354 1 1411 . 1 1 117 117 THR N N 15 115.774 0.020 . 1 . . . . 117 T N . 17354 1 1412 . 1 1 118 118 ASP H H 1 8.897 0.000 . 1 . . . . 118 D HN . 17354 1 1413 . 1 1 118 118 ASP HA H 1 4.278 0.000 . 1 . . . . 118 D HA . 17354 1 1414 . 1 1 118 118 ASP HB2 H 1 2.575 0.000 . 2 . . . . 118 D HB2 . 17354 1 1415 . 1 1 118 118 ASP HB3 H 1 2.746 0.000 . 2 . . . . 118 D HB3 . 17354 1 1416 . 1 1 118 118 ASP C C 13 178.404 0.000 . 1 . . . . 118 D C . 17354 1 1417 . 1 1 118 118 ASP CA C 13 58.022 0.000 . 1 . . . . 118 D CA . 17354 1 1418 . 1 1 118 118 ASP CB C 13 39.960 0.000 . 1 . . . . 118 D CB . 17354 1 1419 . 1 1 118 118 ASP N N 15 121.262 0.000 . 1 . . . . 118 D N . 17354 1 1420 . 1 1 119 119 GLU H H 1 8.727 0.002 . 1 . . . . 119 E HN . 17354 1 1421 . 1 1 119 119 GLU HA H 1 4.121 0.002 . 1 . . . . 119 E HA . 17354 1 1422 . 1 1 119 119 GLU HB2 H 1 2.061 0.002 . 2 . . . . 119 E HB2 . 17354 1 1423 . 1 1 119 119 GLU HB3 H 1 1.956 0.002 . 2 . . . . 119 E HB3 . 17354 1 1424 . 1 1 119 119 GLU HG2 H 1 2.323 0.002 . 2 . . . . 119 E HG2 . 17354 1 1425 . 1 1 119 119 GLU HG3 H 1 2.401 0.002 . 2 . . . . 119 E HG3 . 17354 1 1426 . 1 1 119 119 GLU C C 13 179.062 0.000 . 1 . . . . 119 E C . 17354 1 1427 . 1 1 119 119 GLU CA C 13 60.033 0.034 . 1 . . . . 119 E CA . 17354 1 1428 . 1 1 119 119 GLU CB C 13 29.058 0.000 . 1 . . . . 119 E CB . 17354 1 1429 . 1 1 119 119 GLU CG C 13 36.463 1.000 . 1 . . . . 119 E CG . 17354 1 1430 . 1 1 119 119 GLU N N 15 119.299 0.009 . 1 . . . . 119 E N . 17354 1 1431 . 1 1 120 120 GLU H H 1 7.735 0.002 . 1 . . . . 120 E HN . 17354 1 1432 . 1 1 120 120 GLU HA H 1 4.032 0.002 . 1 . . . . 120 E HA . 17354 1 1433 . 1 1 120 120 GLU HB2 H 1 1.941 0.002 . 2 . . . . 120 E HB2 . 17354 1 1434 . 1 1 120 120 GLU HB3 H 1 2.353 0.002 . 2 . . . . 120 E HB3 . 17354 1 1435 . 1 1 120 120 GLU HG2 H 1 2.275 0.002 . 2 . . . . 120 E HG2 . 17354 1 1436 . 1 1 120 120 GLU HG3 H 1 2.490 0.002 . 2 . . . . 120 E HG3 . 17354 1 1437 . 1 1 120 120 GLU C C 13 179.630 0.000 . 1 . . . . 120 E C . 17354 1 1438 . 1 1 120 120 GLU CA C 13 59.148 0.034 . 1 . . . . 120 E CA . 17354 1 1439 . 1 1 120 120 GLU CB C 13 29.999 0.000 . 1 . . . . 120 E CB . 17354 1 1440 . 1 1 120 120 GLU CG C 13 37.443 1.000 . 1 . . . . 120 E CG . 17354 1 1441 . 1 1 120 120 GLU N N 15 120.669 0.009 . 1 . . . . 120 E N . 17354 1 1442 . 1 1 121 121 ILE H H 1 7.963 0.003 . 1 . . . . 121 I HN . 17354 1 1443 . 1 1 121 121 ILE HA H 1 3.812 0.001 . 1 . . . . 121 I HA . 17354 1 1444 . 1 1 121 121 ILE HB H 1 2.260 0.000 . 1 . . . . 121 I HB . 17354 1 1445 . 1 1 121 121 ILE HG12 H 1 1.453 0.000 . 2 . . . . 121 I HG12 . 17354 1 1446 . 1 1 121 121 ILE HG13 H 1 1.485 0.000 . 2 . . . . 121 I HG13 . 17354 1 1447 . 1 1 121 121 ILE HG21 H 1 1.294 0.002 . . . . . . 121 I HG2# . 17354 1 1448 . 1 1 121 121 ILE HG22 H 1 1.294 0.002 . . . . . . 121 I HG2# . 17354 1 1449 . 1 1 121 121 ILE HG23 H 1 1.294 0.002 . . . . . . 121 I HG2# . 17354 1 1450 . 1 1 121 121 ILE HD11 H 1 0.775 0.002 . . . . . . 121 I HD1# . 17354 1 1451 . 1 1 121 121 ILE HD12 H 1 0.775 0.002 . . . . . . 121 I HD1# . 17354 1 1452 . 1 1 121 121 ILE HD13 H 1 0.775 0.002 . . . . . . 121 I HD1# . 17354 1 1453 . 1 1 121 121 ILE C C 13 177.139 0.000 . 1 . . . . 121 I C . 17354 1 1454 . 1 1 121 121 ILE CA C 13 63.370 0.000 . 1 . . . . 121 I CA . 17354 1 1455 . 1 1 121 121 ILE CB C 13 36.213 0.000 . 1 . . . . 121 I CB . 17354 1 1456 . 1 1 121 121 ILE CG1 C 13 27.813 0.000 . 1 . . . . 121 I CG1 . 17354 1 1457 . 1 1 121 121 ILE CG2 C 13 17.813 0.016 . 1 . . . . 121 I CG2 . 17354 1 1458 . 1 1 121 121 ILE CD1 C 13 11.168 0.005 . 1 . . . . 121 I CD1 . 17354 1 1459 . 1 1 121 121 ILE N N 15 121.654 0.060 . 1 . . . . 121 I N . 17354 1 1460 . 1 1 122 122 ASP H H 1 8.051 0.000 . 1 . . . . 122 D HN . 17354 1 1461 . 1 1 122 122 ASP HA H 1 4.329 0.000 . 1 . . . . 122 D HA . 17354 1 1462 . 1 1 122 122 ASP HB2 H 1 2.647 0.000 . 2 . . . . 122 D HB2 . 17354 1 1463 . 1 1 122 122 ASP HB3 H 1 2.782 0.000 . 2 . . . . 122 D HB3 . 17354 1 1464 . 1 1 122 122 ASP C C 13 178.973 0.000 . 1 . . . . 122 D C . 17354 1 1465 . 1 1 122 122 ASP CA C 13 57.715 0.000 . 1 . . . . 122 D CA . 17354 1 1466 . 1 1 122 122 ASP CB C 13 40.564 0.000 . 1 . . . . 122 D CB . 17354 1 1467 . 1 1 122 122 ASP N N 15 119.207 0.000 . 1 . . . . 122 D N . 17354 1 1468 . 1 1 123 123 GLU H H 1 7.890 0.002 . 1 . . . . 123 E HN . 17354 1 1469 . 1 1 123 123 GLU HA H 1 4.012 0.002 . 1 . . . . 123 E HA . 17354 1 1470 . 1 1 123 123 GLU HB2 H 1 2.092 0.000 . 2 . . . . 123 E HB2 . 17354 1 1471 . 1 1 123 123 GLU HB3 H 1 2.114 0.000 . 2 . . . . 123 E HB3 . 17354 1 1472 . 1 1 123 123 GLU HG2 H 1 2.274 0.000 . 2 . . . . 123 E HG2 . 17354 1 1473 . 1 1 123 123 GLU HG3 H 1 2.351 0.000 . 2 . . . . 123 E HG3 . 17354 1 1474 . 1 1 123 123 GLU C C 13 177.907 0.000 . 1 . . . . 123 E C . 17354 1 1475 . 1 1 123 123 GLU CA C 13 59.319 0.034 . 1 . . . . 123 E CA . 17354 1 1476 . 1 1 123 123 GLU CB C 13 29.646 0.000 . 1 . . . . 123 E CB . 17354 1 1477 . 1 1 123 123 GLU CG C 13 35.983 0.000 . 1 . . . . 123 E CG . 17354 1 1478 . 1 1 123 123 GLU N N 15 119.459 0.009 . 1 . . . . 123 E N . 17354 1 1479 . 1 1 124 124 MET H H 1 8.058 0.003 . 1 . . . . 124 M HN . 17354 1 1480 . 1 1 124 124 MET HA H 1 4.116 0.000 . 1 . . . . 124 M HA . 17354 1 1481 . 1 1 124 124 MET HB2 H 1 2.116 0.000 . 2 . . . . 124 M HB2 . 17354 1 1482 . 1 1 124 124 MET HB3 H 1 2.348 0.000 . 2 . . . . 124 M HB3 . 17354 1 1483 . 1 1 124 124 MET HG2 H 1 2.676 0.000 . 2 . . . . 124 M HG2 . 17354 1 1484 . 1 1 124 124 MET HG3 H 1 2.770 0.000 . 2 . . . . 124 M HG3 . 17354 1 1485 . 1 1 124 124 MET HE1 H 1 2.075 0.062 . . . . . . 124 M HE# . 17354 1 1486 . 1 1 124 124 MET HE2 H 1 2.075 0.062 . . . . . . 124 M HE# . 17354 1 1487 . 1 1 124 124 MET HE3 H 1 2.075 0.062 . . . . . . 124 M HE# . 17354 1 1488 . 1 1 124 124 MET C C 13 178.965 0.000 . 1 . . . . 124 M C . 17354 1 1489 . 1 1 124 124 MET CA C 13 59.325 0.000 . 1 . . . . 124 M CA . 17354 1 1490 . 1 1 124 124 MET CB C 13 33.619 0.000 . 1 . . . . 124 M CB . 17354 1 1491 . 1 1 124 124 MET CG C 13 32.133 0.000 . 1 . . . . 124 M CG . 17354 1 1492 . 1 1 124 124 MET CE C 13 16.792 0.020 . 1 . . . . 124 M CE . 17354 1 1493 . 1 1 124 124 MET N N 15 119.750 0.020 . 1 . . . . 124 M N . 17354 1 1494 . 1 1 125 125 ILE H H 1 7.999 0.003 . 1 . . . . 125 I HN . 17354 1 1495 . 1 1 125 125 ILE HA H 1 3.561 0.001 . 1 . . . . 125 I HA . 17354 1 1496 . 1 1 125 125 ILE HB H 1 2.035 0.000 . 1 . . . . 125 I HB . 17354 1 1497 . 1 1 125 125 ILE HG12 H 1 1.130 0.000 . 2 . . . . 125 I HG12 . 17354 1 1498 . 1 1 125 125 ILE HG13 H 1 1.693 0.000 . 2 . . . . 125 I HG13 . 17354 1 1499 . 1 1 125 125 ILE HG21 H 1 0.711 0.002 . . . . . . 125 I HG2# . 17354 1 1500 . 1 1 125 125 ILE HG22 H 1 0.711 0.002 . . . . . . 125 I HG2# . 17354 1 1501 . 1 1 125 125 ILE HG23 H 1 0.711 0.002 . . . . . . 125 I HG2# . 17354 1 1502 . 1 1 125 125 ILE HD11 H 1 0.782 0.002 . . . . . . 125 I HD1# . 17354 1 1503 . 1 1 125 125 ILE HD12 H 1 0.782 0.002 . . . . . . 125 I HD1# . 17354 1 1504 . 1 1 125 125 ILE HD13 H 1 0.782 0.002 . . . . . . 125 I HD1# . 17354 1 1505 . 1 1 125 125 ILE C C 13 176.714 0.000 . 1 . . . . 125 I C . 17354 1 1506 . 1 1 125 125 ILE CA C 13 64.408 0.000 . 1 . . . . 125 I CA . 17354 1 1507 . 1 1 125 125 ILE CB C 13 37.089 0.000 . 1 . . . . 125 I CB . 17354 1 1508 . 1 1 125 125 ILE CG1 C 13 28.753 0.000 . 1 . . . . 125 I CG1 . 17354 1 1509 . 1 1 125 125 ILE CG2 C 13 15.953 0.016 . 1 . . . . 125 I CG2 . 17354 1 1510 . 1 1 125 125 ILE CD1 C 13 12.523 0.005 . 1 . . . . 125 I CD1 . 17354 1 1511 . 1 1 125 125 ILE N N 15 118.026 0.060 . 1 . . . . 125 I N . 17354 1 1512 . 1 1 126 126 ARG H H 1 8.119 0.002 . 1 . . . . 126 R HN . 17354 1 1513 . 1 1 126 126 ARG HA H 1 3.932 0.000 . 1 . . . . 126 R HA . 17354 1 1514 . 1 1 126 126 ARG HB2 H 1 1.840 0.000 . 2 . . . . 126 R HB2 . 17354 1 1515 . 1 1 126 126 ARG HB3 H 1 1.922 0.000 . 2 . . . . 126 R HB3 . 17354 1 1516 . 1 1 126 126 ARG HG2 H 1 1.616 0.000 . 2 . . . . 126 R HG2 . 17354 1 1517 . 1 1 126 126 ARG HG3 H 1 1.749 0.000 . 2 . . . . 126 R HG3 . 17354 1 1518 . 1 1 126 126 ARG HD2 H 1 3.203 0.000 . . . . . . 126 R HD# . 17354 1 1519 . 1 1 126 126 ARG HD3 H 1 3.203 0.000 . . . . . . 126 R HD# . 17354 1 1520 . 1 1 126 126 ARG C C 13 179.383 0.000 . 1 . . . . 126 R C . 17354 1 1521 . 1 1 126 126 ARG CA C 13 59.726 0.000 . 1 . . . . 126 R CA . 17354 1 1522 . 1 1 126 126 ARG CB C 13 30.203 0.000 . 1 . . . . 126 R CB . 17354 1 1523 . 1 1 126 126 ARG CG C 13 27.763 0.000 . 1 . . . . 126 R CG . 17354 1 1524 . 1 1 126 126 ARG CD C 13 43.313 0.000 . 1 . . . . 126 R CD . 17354 1 1525 . 1 1 126 126 ARG N N 15 117.481 0.044 . 1 . . . . 126 R N . 17354 1 1526 . 1 1 127 127 GLU H H 1 7.895 0.002 . 1 . . . . 127 E HN . 17354 1 1527 . 1 1 127 127 GLU HA H 1 3.914 0.002 . 1 . . . . 127 E HA . 17354 1 1528 . 1 1 127 127 GLU HB2 H 1 2.148 0.000 . . . . . . 127 E HB# . 17354 1 1529 . 1 1 127 127 GLU HB3 H 1 2.148 0.000 . . . . . . 127 E HB# . 17354 1 1530 . 1 1 127 127 GLU HG2 H 1 2.386 0.000 . 2 . . . . 127 E HG2 . 17354 1 1531 . 1 1 127 127 GLU HG3 H 1 2.524 0.000 . 2 . . . . 127 E HG3 . 17354 1 1532 . 1 1 127 127 GLU C C 13 176.347 0.000 . 1 . . . . 127 E C . 17354 1 1533 . 1 1 127 127 GLU CA C 13 58.659 0.034 . 1 . . . . 127 E CA . 17354 1 1534 . 1 1 127 127 GLU CB C 13 30.075 0.000 . 1 . . . . 127 E CB . 17354 1 1535 . 1 1 127 127 GLU CG C 13 36.613 0.000 . 1 . . . . 127 E CG . 17354 1 1536 . 1 1 127 127 GLU N N 15 115.875 0.009 . 1 . . . . 127 E N . 17354 1 1537 . 1 1 128 128 ALA H H 1 7.119 0.003 . 1 . . . . 128 A HN . 17354 1 1538 . 1 1 128 128 ALA HA H 1 4.138 0.002 . 1 . . . . 128 A HA . 17354 1 1539 . 1 1 128 128 ALA HB1 H 1 1.519 0.000 . . . . . . 128 A HB# . 17354 1 1540 . 1 1 128 128 ALA HB2 H 1 1.519 0.000 . . . . . . 128 A HB# . 17354 1 1541 . 1 1 128 128 ALA HB3 H 1 1.519 0.000 . . . . . . 128 A HB# . 17354 1 1542 . 1 1 128 128 ALA C C 13 175.559 0.000 . 1 . . . . 128 A C . 17354 1 1543 . 1 1 128 128 ALA CA C 13 51.727 0.018 . 1 . . . . 128 A CA . 17354 1 1544 . 1 1 128 128 ALA CB C 13 20.772 0.000 . 1 . . . . 128 A CB . 17354 1 1545 . 1 1 128 128 ALA N N 15 118.032 0.022 . 1 . . . . 128 A N . 17354 1 1546 . 1 1 129 129 ASP H H 1 7.463 0.000 . 1 . . . . 129 D HN . 17354 1 1547 . 1 1 129 129 ASP HA H 1 4.551 0.000 . 1 . . . . 129 D HA . 17354 1 1548 . 1 1 129 129 ASP HB2 H 1 2.433 0.000 . 2 . . . . 129 D HB2 . 17354 1 1549 . 1 1 129 129 ASP HB3 H 1 2.698 0.000 . 2 . . . . 129 D HB3 . 17354 1 1550 . 1 1 129 129 ASP C C 13 177.384 0.000 . 1 . . . . 129 D C . 17354 1 1551 . 1 1 129 129 ASP CA C 13 53.006 0.000 . 1 . . . . 129 D CA . 17354 1 1552 . 1 1 129 129 ASP CB C 13 39.536 0.000 . 1 . . . . 129 D CB . 17354 1 1553 . 1 1 129 129 ASP N N 15 115.354 0.000 . 1 . . . . 129 D N . 17354 1 1554 . 1 1 130 130 PHE H H 1 8.216 0.006 . 1 . . . . 130 F HN . 17354 1 1555 . 1 1 130 130 PHE HA H 1 4.319 0.009 . 1 . . . . 130 F HA . 17354 1 1556 . 1 1 130 130 PHE HB2 H 1 3.019 0.011 . 2 . . . . 130 F HB2 . 17354 1 1557 . 1 1 130 130 PHE HB3 H 1 3.181 0.012 . 2 . . . . 130 F HB3 . 17354 1 1558 . 1 1 130 130 PHE HD1 H 1 7.080 0.011 . . . . . . 130 F HD# . 17354 1 1559 . 1 1 130 130 PHE HD2 H 1 7.080 0.011 . . . . . . 130 F HD# . 17354 1 1560 . 1 1 130 130 PHE HE1 H 1 6.790 0.012 . . . . . . 130 F HE# . 17354 1 1561 . 1 1 130 130 PHE HE2 H 1 6.790 0.012 . . . . . . 130 F HE# . 17354 1 1562 . 1 1 130 130 PHE HZ H 1 7.130 0.700 . 1 . . . . 130 F HZ . 17354 1 1563 . 1 1 130 130 PHE C C 13 177.651 0.000 . 1 . . . . 130 F C . 17354 1 1564 . 1 1 130 130 PHE CA C 13 59.519 0.024 . 1 . . . . 130 F CA . 17354 1 1565 . 1 1 130 130 PHE CB C 13 39.012 0.008 . 1 . . . . 130 F CB . 17354 1 1566 . 1 1 130 130 PHE N N 15 126.661 0.027 . 1 . . . . 130 F N . 17354 1 1567 . 1 1 131 131 ASP H H 1 8.190 0.000 . 1 . . . . 131 D HN . 17354 1 1568 . 1 1 131 131 ASP HA H 1 4.632 0.000 . 1 . . . . 131 D HA . 17354 1 1569 . 1 1 131 131 ASP HB2 H 1 2.659 0.000 . 2 . . . . 131 D HB2 . 17354 1 1570 . 1 1 131 131 ASP HB3 H 1 3.092 0.000 . 2 . . . . 131 D HB3 . 17354 1 1571 . 1 1 131 131 ASP C C 13 178.191 0.000 . 1 . . . . 131 D C . 17354 1 1572 . 1 1 131 131 ASP CA C 13 53.383 0.000 . 1 . . . . 131 D CA . 17354 1 1573 . 1 1 131 131 ASP CB C 13 39.866 0.000 . 1 . . . . 131 D CB . 17354 1 1574 . 1 1 131 131 ASP N N 15 114.876 0.000 . 1 . . . . 131 D N . 17354 1 1575 . 1 1 132 132 GLY H H 1 7.512 0.002 . 1 . . . . 132 G HN . 17354 1 1576 . 1 1 132 132 GLY HA2 H 1 3.784 0.010 . . . . . . 132 G HA1 . 17354 1 1577 . 1 1 132 132 GLY HA3 H 1 3.896 0.011 . 2 . . . . 132 G HA2 . 17354 1 1578 . 1 1 132 132 GLY C C 13 175.011 0.000 . 1 . . . . 132 G C . 17354 1 1579 . 1 1 132 132 GLY CA C 13 47.568 0.047 . 1 . . . . 132 G CA . 17354 1 1580 . 1 1 132 132 GLY N N 15 108.556 0.008 . 1 . . . . 132 G N . 17354 1 1581 . 1 1 133 133 ASP H H 1 8.274 0.000 . 1 . . . . 133 D HN . 17354 1 1582 . 1 1 133 133 ASP HA H 1 4.437 0.000 . 1 . . . . 133 D HA . 17354 1 1583 . 1 1 133 133 ASP HB2 H 1 2.873 0.000 . 2 . . . . 133 D HB2 . 17354 1 1584 . 1 1 133 133 ASP HB3 H 1 2.404 0.000 . 2 . . . . 133 D HB3 . 17354 1 1585 . 1 1 133 133 ASP C C 13 177.224 0.000 . 1 . . . . 133 D C . 17354 1 1586 . 1 1 133 133 ASP CA C 13 53.673 0.000 . 1 . . . . 133 D CA . 17354 1 1587 . 1 1 133 133 ASP CB C 13 40.111 0.000 . 1 . . . . 133 D CB . 17354 1 1588 . 1 1 133 133 ASP N N 15 120.790 0.000 . 1 . . . . 133 D N . 17354 1 1589 . 1 1 134 134 GLY H H 1 10.538 0.002 . 1 . . . . 134 G HN . 17354 1 1590 . 1 1 134 134 GLY HA2 H 1 3.339 0.010 . . . . . . 134 G HA1 . 17354 1 1591 . 1 1 134 134 GLY HA3 H 1 3.976 0.011 . 2 . . . . 134 G HA2 . 17354 1 1592 . 1 1 134 134 GLY C C 13 172.819 0.000 . 1 . . . . 134 G C . 17354 1 1593 . 1 1 134 134 GLY CA C 13 45.649 0.047 . 1 . . . . 134 G CA . 17354 1 1594 . 1 1 134 134 GLY N N 15 113.716 0.008 . 1 . . . . 134 G N . 17354 1 1595 . 1 1 135 135 MET H H 1 7.944 0.003 . 1 . . . . 135 M HN . 17354 1 1596 . 1 1 135 135 MET HA H 1 4.885 0.000 . 1 . . . . 135 M HA . 17354 1 1597 . 1 1 135 135 MET HB2 H 1 1.804 0.000 . 2 . . . . 135 M HB2 . 17354 1 1598 . 1 1 135 135 MET HB3 H 1 1.674 0.000 . 2 . . . . 135 M HB3 . 17354 1 1599 . 1 1 135 135 MET HG2 H 1 2.138 0.000 . . . . . . 135 M HG# . 17354 1 1600 . 1 1 135 135 MET HG3 H 1 2.138 0.000 . . . . . . 135 M HG# . 17354 1 1601 . 1 1 135 135 MET HE1 H 1 1.756 0.062 . . . . . . 135 M HE# . 17354 1 1602 . 1 1 135 135 MET HE2 H 1 1.756 0.062 . . . . . . 135 M HE# . 17354 1 1603 . 1 1 135 135 MET HE3 H 1 1.756 0.062 . . . . . . 135 M HE# . 17354 1 1604 . 1 1 135 135 MET C C 13 174.808 0.000 . 1 . . . . 135 M C . 17354 1 1605 . 1 1 135 135 MET CA C 13 52.443 0.000 . 1 . . . . 135 M CA . 17354 1 1606 . 1 1 135 135 MET CB C 13 37.322 0.000 . 1 . . . . 135 M CB . 17354 1 1607 . 1 1 135 135 MET CG C 13 32.233 0.000 . 1 . . . . 135 M CG . 17354 1 1608 . 1 1 135 135 MET CE C 13 18.108 0.020 . 1 . . . . 135 M CE . 17354 1 1609 . 1 1 135 135 MET N N 15 115.780 0.020 . 1 . . . . 135 M N . 17354 1 1610 . 1 1 136 136 ILE H H 1 9.064 0.003 . 1 . . . . 136 I HN . 17354 1 1611 . 1 1 136 136 ILE HA H 1 5.402 0.001 . 1 . . . . 136 I HA . 17354 1 1612 . 1 1 136 136 ILE HB H 1 2.363 0.000 . 1 . . . . 136 I HB . 17354 1 1613 . 1 1 136 136 ILE HG12 H 1 1.361 0.000 . . . . . . 136 I HG1# . 17354 1 1614 . 1 1 136 136 ILE HG13 H 1 1.361 0.000 . . . . . . 136 I HG1# . 17354 1 1615 . 1 1 136 136 ILE HG21 H 1 1.294 0.002 . . . . . . 136 I HG2# . 17354 1 1616 . 1 1 136 136 ILE HG22 H 1 1.294 0.002 . . . . . . 136 I HG2# . 17354 1 1617 . 1 1 136 136 ILE HG23 H 1 1.294 0.002 . . . . . . 136 I HG2# . 17354 1 1618 . 1 1 136 136 ILE HD11 H 1 0.815 0.002 . . . . . . 136 I HD1# . 17354 1 1619 . 1 1 136 136 ILE HD12 H 1 0.815 0.002 . . . . . . 136 I HD1# . 17354 1 1620 . 1 1 136 136 ILE HD13 H 1 0.815 0.002 . . . . . . 136 I HD1# . 17354 1 1621 . 1 1 136 136 ILE C C 13 176.088 0.000 . 1 . . . . 136 I C . 17354 1 1622 . 1 1 136 136 ILE CA C 13 58.325 0.000 . 1 . . . . 136 I CA . 17354 1 1623 . 1 1 136 136 ILE CB C 13 38.050 0.000 . 1 . . . . 136 I CB . 17354 1 1624 . 1 1 136 136 ILE CG1 C 13 26.753 0.000 . 1 . . . . 136 I CG1 . 17354 1 1625 . 1 1 136 136 ILE CG2 C 13 17.813 0.016 . 1 . . . . 136 I CG2 . 17354 1 1626 . 1 1 136 136 ILE CD1 C 13 11.311 0.005 . 1 . . . . 136 I CD1 . 17354 1 1627 . 1 1 136 136 ILE N N 15 125.022 0.060 . 1 . . . . 136 I N . 17354 1 1628 . 1 1 137 137 ASN H H 1 9.396 0.003 . 1 . . . . 137 N HN . 17354 1 1629 . 1 1 137 137 ASN HA H 1 5.215 0.007 . 1 . . . . 137 N HA . 17354 1 1630 . 1 1 137 137 ASN HB2 H 1 3.342 0.002 . . . . . . 137 N HB# . 17354 1 1631 . 1 1 137 137 ASN HB3 H 1 3.342 0.002 . . . . . . 137 N HB# . 17354 1 1632 . 1 1 137 137 ASN HD21 H 1 6.710 0.003 . 2 . . . . 137 N HD21 . 17354 1 1633 . 1 1 137 137 ASN HD22 H 1 7.240 0.003 . 2 . . . . 137 N HD22 . 17354 1 1634 . 1 1 137 137 ASN C C 13 174.901 0.000 . 1 . . . . 137 N C . 17354 1 1635 . 1 1 137 137 ASN CA C 13 51.193 0.023 . 1 . . . . 137 N CA . 17354 1 1636 . 1 1 137 137 ASN CB C 13 37.986 0.064 . 1 . . . . 137 N CB . 17354 1 1637 . 1 1 137 137 ASN N N 15 129.158 0.018 . 1 . . . . 137 N N . 17354 1 1638 . 1 1 137 137 ASN ND2 N 15 107.900 0.003 . 1 . . . . 137 N ND2 . 17354 1 1639 . 1 1 138 138 TYR H H 1 8.405 0.003 . 1 . . . . 138 Y HN . 17354 1 1640 . 1 1 138 138 TYR HA H 1 3.553 0.007 . 1 . . . . 138 Y HA . 17354 1 1641 . 1 1 138 138 TYR HB2 H 1 2.010 0.002 . 2 . . . . 138 Y HB2 . 17354 1 1642 . 1 1 138 138 TYR HB3 H 1 2.362 0.003 . 2 . . . . 138 Y HB3 . 17354 1 1643 . 1 1 138 138 TYR HD1 H 1 6.440 0.003 . . . . . . 138 Y HD# . 17354 1 1644 . 1 1 138 138 TYR HD2 H 1 6.440 0.003 . . . . . . 138 Y HD# . 17354 1 1645 . 1 1 138 138 TYR HE1 H 1 6.520 0.003 . . . . . . 138 Y HE# . 17354 1 1646 . 1 1 138 138 TYR HE2 H 1 6.520 0.003 . . . . . . 138 Y HE# . 17354 1 1647 . 1 1 138 138 TYR C C 13 175.736 0.000 . 1 . . . . 138 Y C . 17354 1 1648 . 1 1 138 138 TYR CA C 13 62.965 0.023 . 1 . . . . 138 Y CA . 17354 1 1649 . 1 1 138 138 TYR CB C 13 37.852 0.064 . 1 . . . . 138 Y CB . 17354 1 1650 . 1 1 138 138 TYR N N 15 118.016 0.018 . 1 . . . . 138 Y N . 17354 1 1651 . 1 1 139 139 GLU H H 1 8.018 0.002 . 1 . . . . 139 E HN . 17354 1 1652 . 1 1 139 139 GLU HA H 1 3.668 0.002 . 1 . . . . 139 E HA . 17354 1 1653 . 1 1 139 139 GLU HB2 H 1 1.998 0.000 . 2 . . . . 139 E HB2 . 17354 1 1654 . 1 1 139 139 GLU HB3 H 1 2.129 0.000 . 2 . . . . 139 E HB3 . 17354 1 1655 . 1 1 139 139 GLU HG2 H 1 2.308 0.000 . 2 . . . . 139 E HG2 . 17354 1 1656 . 1 1 139 139 GLU HG3 H 1 2.393 0.000 . 2 . . . . 139 E HG3 . 17354 1 1657 . 1 1 139 139 GLU C C 13 180.340 0.000 . 1 . . . . 139 E C . 17354 1 1658 . 1 1 139 139 GLU CA C 13 60.521 0.034 . 1 . . . . 139 E CA . 17354 1 1659 . 1 1 139 139 GLU CB C 13 29.117 0.000 . 1 . . . . 139 E CB . 17354 1 1660 . 1 1 139 139 GLU CG C 13 37.393 0.000 . 1 . . . . 139 E CG . 17354 1 1661 . 1 1 139 139 GLU N N 15 118.049 0.009 . 1 . . . . 139 E N . 17354 1 1662 . 1 1 140 140 GLU H H 1 8.621 0.002 . 1 . . . . 140 E HN . 17354 1 1663 . 1 1 140 140 GLU HA H 1 4.119 0.002 . 1 . . . . 140 E HA . 17354 1 1664 . 1 1 140 140 GLU HB2 H 1 2.484 0.000 . 2 . . . . 140 E HB2 . 17354 1 1665 . 1 1 140 140 GLU HB3 H 1 2.289 0.000 . 2 . . . . 140 E HB3 . 17354 1 1666 . 1 1 140 140 GLU HG2 H 1 2.465 0.000 . 2 . . . . 140 E HG2 . 17354 1 1667 . 1 1 140 140 GLU HG3 H 1 2.755 0.000 . 2 . . . . 140 E HG3 . 17354 1 1668 . 1 1 140 140 GLU C C 13 178.168 0.000 . 1 . . . . 140 E C . 17354 1 1669 . 1 1 140 140 GLU CA C 13 58.762 0.034 . 1 . . . . 140 E CA . 17354 1 1670 . 1 1 140 140 GLU CB C 13 29.757 0.000 . 1 . . . . 140 E CB . 17354 1 1671 . 1 1 140 140 GLU CG C 13 37.233 0.000 . 1 . . . . 140 E CG . 17354 1 1672 . 1 1 140 140 GLU N N 15 121.505 0.009 . 1 . . . . 140 E N . 17354 1 1673 . 1 1 141 141 PHE H H 1 8.942 0.006 . 1 . . . . 141 F HN . 17354 1 1674 . 1 1 141 141 PHE HA H 1 4.069 0.009 . 1 . . . . 141 F HA . 17354 1 1675 . 1 1 141 141 PHE HB2 H 1 3.259 0.011 . 2 . . . . 141 F HB2 . 17354 1 1676 . 1 1 141 141 PHE HB3 H 1 3.586 0.012 . 2 . . . . 141 F HB3 . 17354 1 1677 . 1 1 141 141 PHE HD1 H 1 6.670 0.011 . . . . . . 141 F HD# . 17354 1 1678 . 1 1 141 141 PHE HD2 H 1 6.670 0.011 . . . . . . 141 F HD# . 17354 1 1679 . 1 1 141 141 PHE HE1 H 1 6.930 0.012 . . . . . . 141 F HE# . 17354 1 1680 . 1 1 141 141 PHE HE2 H 1 6.930 0.012 . . . . . . 141 F HE# . 17354 1 1681 . 1 1 141 141 PHE HZ H 1 7.130 0.700 . 1 . . . . 141 F HZ . 17354 1 1682 . 1 1 141 141 PHE C C 13 176.082 0.000 . 1 . . . . 141 F C . 17354 1 1683 . 1 1 141 141 PHE CA C 13 61.339 0.024 . 1 . . . . 141 F CA . 17354 1 1684 . 1 1 141 141 PHE CB C 13 39.540 0.008 . 1 . . . . 141 F CB . 17354 1 1685 . 1 1 141 141 PHE N N 15 123.261 0.027 . 1 . . . . 141 F N . 17354 1 1686 . 1 1 142 142 VAL H H 1 8.385 0.003 . 1 . . . . 142 V HN . 17354 1 1687 . 1 1 142 142 VAL HA H 1 3.231 0.005 . 1 . . . . 142 V HA . 17354 1 1688 . 1 1 142 142 VAL HB H 1 1.877 0.006 . 1 . . . . 142 V HB . 17354 1 1689 . 1 1 142 142 VAL HG11 H 1 0.772 0.004 . . . . . . 142 V HG1# . 17354 1 1690 . 1 1 142 142 VAL HG12 H 1 0.772 0.004 . . . . . . 142 V HG1# . 17354 1 1691 . 1 1 142 142 VAL HG13 H 1 0.772 0.004 . . . . . . 142 V HG1# . 17354 1 1692 . 1 1 142 142 VAL HG21 H 1 0.598 0.006 . . . . . . 142 V HG2# . 17354 1 1693 . 1 1 142 142 VAL HG22 H 1 0.598 0.006 . . . . . . 142 V HG2# . 17354 1 1694 . 1 1 142 142 VAL HG23 H 1 0.598 0.006 . . . . . . 142 V HG2# . 17354 1 1695 . 1 1 142 142 VAL C C 13 179.267 0.000 . 1 . . . . 142 V C . 17354 1 1696 . 1 1 142 142 VAL CA C 13 66.449 0.032 . 1 . . . . 142 V CA . 17354 1 1697 . 1 1 142 142 VAL CB C 13 31.673 0.038 . 1 . . . . 142 V CB . 17354 1 1698 . 1 1 142 142 VAL CG1 C 13 21.063 0.015 . 2 . . . . 142 V CG1 . 17354 1 1699 . 1 1 142 142 VAL CG2 C 13 22.483 0.021 . 2 . . . . 142 V CG2 . 17354 1 1700 . 1 1 142 142 VAL N N 15 119.100 0.011 . 1 . . . . 142 V N . 17354 1 1701 . 1 1 143 143 TRP H H 1 7.620 0.003 . 1 . . . . 143 W HN . 17354 1 1702 . 1 1 143 143 TRP HA H 1 4.032 0.007 . 1 . . . . 143 W HA . 17354 1 1703 . 1 1 143 143 TRP HB2 H 1 3.345 0.002 . 2 . . . . 143 W HB2 . 17354 1 1704 . 1 1 143 143 TRP HB3 H 1 3.731 0.003 . 2 . . . . 143 W HB3 . 17354 1 1705 . 1 1 143 143 TRP HD1 H 1 7.260 0.002 . 1 . . . . 143 W HD1 . 17354 1 1706 . 1 1 143 143 TRP HE1 H 1 10.095 0.002 . 1 . . . . 143 W HE1 . 17354 1 1707 . 1 1 143 143 TRP HE3 H 1 7.470 0.002 . 1 . . . . 143 W HE3 . 17354 1 1708 . 1 1 143 143 TRP HZ2 H 1 7.450 0.002 . 1 . . . . 143 W HZ2 . 17354 1 1709 . 1 1 143 143 TRP HZ3 H 1 7.000 0.002 . 1 . . . . 143 W HZ3 . 17354 1 1710 . 1 1 143 143 TRP HH2 H 1 7.130 0.002 . 1 . . . . 143 W HH2 . 17354 1 1711 . 1 1 143 143 TRP C C 13 178.383 0.000 . 1 . . . . 143 W C . 17354 1 1712 . 1 1 143 143 TRP CA C 13 62.073 0.023 . 1 . . . . 143 W CA . 17354 1 1713 . 1 1 143 143 TRP CB C 13 28.732 0.064 . 1 . . . . 143 W CB . 17354 1 1714 . 1 1 143 143 TRP N N 15 120.826 0.018 . 1 . . . . 143 W N . 17354 1 1715 . 1 1 143 143 TRP NE1 N 15 129.219 0.018 . 1 . . . . 143 W NE1 . 17354 1 1716 . 1 1 144 144 MET H H 1 8.764 0.003 . 1 . . . . 144 M HN . 17354 1 1717 . 1 1 144 144 MET HA H 1 3.719 0.000 . 1 . . . . 144 M HA . 17354 1 1718 . 1 1 144 144 MET HB2 H 1 2.308 0.000 . 2 . . . . 144 M HB2 . 17354 1 1719 . 1 1 144 144 MET HB3 H 1 2.247 0.000 . 2 . . . . 144 M HB3 . 17354 1 1720 . 1 1 144 144 MET HG2 H 1 2.247 0.000 . 2 . . . . 144 M HG2 . 17354 1 1721 . 1 1 144 144 MET HG3 H 1 2.626 0.000 . 2 . . . . 144 M HG3 . 17354 1 1722 . 1 1 144 144 MET HE1 H 1 1.903 0.062 . . . . . . 144 M HE# . 17354 1 1723 . 1 1 144 144 MET HE2 H 1 1.903 0.062 . . . . . . 144 M HE# . 17354 1 1724 . 1 1 144 144 MET HE3 H 1 1.903 0.062 . . . . . . 144 M HE# . 17354 1 1725 . 1 1 144 144 MET C C 13 178.963 0.000 . 1 . . . . 144 M C . 17354 1 1726 . 1 1 144 144 MET CA C 13 59.704 0.000 . 1 . . . . 144 M CA . 17354 1 1727 . 1 1 144 144 MET CB C 13 34.155 0.000 . 1 . . . . 144 M CB . 17354 1 1728 . 1 1 144 144 MET CG C 13 31.473 0.000 . 1 . . . . 144 M CG . 17354 1 1729 . 1 1 144 144 MET CE C 13 16.909 0.020 . 1 . . . . 144 M CE . 17354 1 1730 . 1 1 144 144 MET N N 15 120.823 0.020 . 1 . . . . 144 M N . 17354 1 1731 . 1 1 145 145 ILE H H 1 8.273 0.003 . 1 . . . . 145 I HN . 17354 1 1732 . 1 1 145 145 ILE HA H 1 3.841 0.001 . 1 . . . . 145 I HA . 17354 1 1733 . 1 1 145 145 ILE HB H 1 1.541 0.000 . 1 . . . . 145 I HB . 17354 1 1734 . 1 1 145 145 ILE HG12 H 1 0.860 0.000 . 2 . . . . 145 I HG12 . 17354 1 1735 . 1 1 145 145 ILE HG13 H 1 0.793 0.000 . 2 . . . . 145 I HG13 . 17354 1 1736 . 1 1 145 145 ILE HG21 H 1 0.480 0.002 . . . . . . 145 I HG2# . 17354 1 1737 . 1 1 145 145 ILE HG22 H 1 0.480 0.002 . . . . . . 145 I HG2# . 17354 1 1738 . 1 1 145 145 ILE HG23 H 1 0.480 0.002 . . . . . . 145 I HG2# . 17354 1 1739 . 1 1 145 145 ILE HD11 H 1 0.459 0.002 . . . . . . 145 I HD1# . 17354 1 1740 . 1 1 145 145 ILE HD12 H 1 0.459 0.002 . . . . . . 145 I HD1# . 17354 1 1741 . 1 1 145 145 ILE HD13 H 1 0.459 0.002 . . . . . . 145 I HD1# . 17354 1 1742 . 1 1 145 145 ILE C C 13 177.385 0.000 . 1 . . . . 145 I C . 17354 1 1743 . 1 1 145 145 ILE CA C 13 61.783 0.000 . 1 . . . . 145 I CA . 17354 1 1744 . 1 1 145 145 ILE CB C 13 37.173 0.000 . 1 . . . . 145 I CB . 17354 1 1745 . 1 1 145 145 ILE CG1 C 13 26.723 0.000 . 1 . . . . 145 I CG1 . 17354 1 1746 . 1 1 145 145 ILE CG2 C 13 17.993 0.016 . 1 . . . . 145 I CG2 . 17354 1 1747 . 1 1 145 145 ILE CD1 C 13 12.233 0.005 . 1 . . . . 145 I CD1 . 17354 1 1748 . 1 1 145 145 ILE N N 15 115.322 0.060 . 1 . . . . 145 I N . 17354 1 1749 . 1 1 146 146 SER H H 1 7.538 0.003 . 1 . . . . 146 S HN . 17354 1 1750 . 1 1 146 146 SER HA H 1 4.302 0.004 . 1 . . . . 146 S HA . 17354 1 1751 . 1 1 146 146 SER HB2 H 1 3.809 0.010 . . . . . . 146 S HB# . 17354 1 1752 . 1 1 146 146 SER HB3 H 1 3.809 0.010 . . . . . . 146 S HB# . 17354 1 1753 . 1 1 146 146 SER C C 13 174.146 0.000 . 1 . . . . 146 S C . 17354 1 1754 . 1 1 146 146 SER CA C 13 59.675 0.030 . 1 . . . . 146 S CA . 17354 1 1755 . 1 1 146 146 SER CB C 13 63.592 0.007 . 1 . . . . 146 S CB . 17354 1 1756 . 1 1 146 146 SER N N 15 116.156 0.034 . 1 . . . . 146 S N . 17354 1 1757 . 1 1 147 147 GLN H H 1 7.251 0.002 . 1 . . . . 147 Q HN . 17354 1 1758 . 1 1 147 147 GLN HA H 1 3.947 0.002 . 1 . . . . 147 Q HA . 17354 1 1759 . 1 1 147 147 GLN HB2 H 1 1.611 0.000 . 2 . . . . 147 Q HB2 . 17354 1 1760 . 1 1 147 147 GLN HB3 H 1 1.901 0.000 . 2 . . . . 147 Q HB3 . 17354 1 1761 . 1 1 147 147 GLN HG2 H 1 1.524 0.000 . 2 . . . . 147 Q HG2 . 17354 1 1762 . 1 1 147 147 GLN HG3 H 1 1.765 0.000 . 2 . . . . 147 Q HG3 . 17354 1 1763 . 1 1 147 147 GLN HE21 H 1 6.260 0.003 . 2 . . . . 147 Q HE21 . 17354 1 1764 . 1 1 147 147 GLN HE22 H 1 6.650 0.003 . 2 . . . . 147 Q HE22 . 17354 1 1765 . 1 1 147 147 GLN C C 13 174.983 0.000 . 1 . . . . 147 Q C . 17354 1 1766 . 1 1 147 147 GLN CA C 13 55.314 0.038 . 1 . . . . 147 Q CA . 17354 1 1767 . 1 1 147 147 GLN CB C 13 28.622 0.000 . 1 . . . . 147 Q CB . 17354 1 1768 . 1 1 147 147 GLN CG C 13 32.593 0.000 . 1 . . . . 147 Q CG . 17354 1 1769 . 1 1 147 147 GLN N N 15 119.654 0.018 . 1 . . . . 147 Q N . 17354 1 1770 . 1 1 147 147 GLN NE2 N 15 113.800 0.003 . 1 . . . . 147 Q NE2 . 17354 1 1771 . 1 1 148 148 LYS H H 1 7.491 0.002 . 1 . . . . 148 K HN . 17354 1 1772 . 1 1 148 148 LYS HA H 1 4.007 0.007 . 1 . . . . 148 K HA . 17354 1 1773 . 1 1 148 148 LYS HB2 H 1 1.599 0.000 . 2 . . . . 148 K HB2 . 17354 1 1774 . 1 1 148 148 LYS HB3 H 1 1.738 0.000 . 2 . . . . 148 K HB3 . 17354 1 1775 . 1 1 148 148 LYS HG2 H 1 1.308 0.000 . . . . . . 148 K HG# . 17354 1 1776 . 1 1 148 148 LYS HG3 H 1 1.308 0.000 . . . . . . 148 K HG# . 17354 1 1777 . 1 1 148 148 LYS HD2 H 1 1.554 0.000 . . . . . . 148 K HD# . 17354 1 1778 . 1 1 148 148 LYS HD3 H 1 1.554 0.000 . . . . . . 148 K HD# . 17354 1 1779 . 1 1 148 148 LYS HE2 H 1 2.849 0.000 . . . . . . 148 K HE# . 17354 1 1780 . 1 1 148 148 LYS HE3 H 1 2.849 0.000 . . . . . . 148 K HE# . 17354 1 1781 . 1 1 148 148 LYS C C 13 181.244 0.000 . 1 . . . . 148 K C . 17354 1 1782 . 1 1 148 148 LYS CA C 13 57.666 0.045 . 1 . . . . 148 K CA . 17354 1 1783 . 1 1 148 148 LYS CB C 13 33.278 0.045 . 1 . . . . 148 K CB . 17354 1 1784 . 1 1 148 148 LYS CG C 13 24.583 0.000 . 1 . . . . 148 K CG . 17354 1 1785 . 1 1 148 148 LYS CD C 13 28.913 0.000 . 1 . . . . 148 K CD . 17354 1 1786 . 1 1 148 148 LYS CE C 13 42.043 0.000 . 1 . . . . 148 K CE . 17354 1 1787 . 1 1 148 148 LYS N N 15 126.541 0.039 . 1 . . . . 148 K N . 17354 1 stop_ save_