data_16362 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16362 _Entry.Title ; 1H, 13C and 15N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-24 _Entry.Accession_date 2009-06-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ines Castrillo . . . 16362 2 Marta Bruix . . . 16362 3 Jorge Santoro . . . 16362 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Instituto de Quimica Fisica Rocasolano, CSIC' . 16362 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16362 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 412 16362 '15N chemical shifts' 178 16362 '1H chemical shifts' 1142 16362 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 . . 2009-11-25 2009-06-24 update BMRB 'complete entry citation' 16362 1 . . 2009-11-16 2009-06-24 original author 'original release' 16362 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15927 '1H, 13C and 15N NMR resonance assignments of the actinoporin Sticholysin I' 16362 BMRB 16630 '1H, 13C and 15N NMR assignments of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II' 16362 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16362 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19768581 _Citation.Full_citation . _Citation.Title '(1)H, (13)C, and (15)N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol NMR Assign' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 3 _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 239 _Citation.Page_last 241 _Citation.Year 2009 _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 Ines Castrillo . . . 16362 1 2 Jorge Alegre-Cebollada . . . 16362 1 3 Alvaro Martinez-Del-Pozo . . . 16362 1 4 Jose Gavilanes . G. . 16362 1 5 Marta Bruix . . . 16362 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID actinoporin 16362 1 sticholysin 16362 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16362 _Assembly.ID 1 _Assembly.Name monomer _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 19286 _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 monomer 1 $R29Q_StnII A . yes native no no . . . 16362 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_R29Q_StnII _Entity.Sf_category entity _Entity.Sf_framecode R29Q_StnII _Entity.Entry_ID 16362 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name R29Q_StnII _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 ; ALAGTIIAGASLTFQVLDKV LEELGKVSQKIAVGIDNESG GTWTALNAYFRSGTTDVILP EFVPNTKALLYSGRKDTGPV ATGAVAAFAYYMSSGNTLGV MFSVPFDYNWYSNWWDVKIY SGKRRADQGMYEDLYYGNPY RGDNGWHEKNLGYGLRMKGI MTSAGEAKMQIKISR ; _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 175 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 16630 . stnIIY111N . . . . . 100.00 175 98.86 99.43 1.50e-121 . . . . 16362 1 2 no PDB 1GWY . "Crystal Structure Of The Water-Soluble State Of The Pore- Forming Cytolysin Sticholysin Ii" . . . . . 100.00 175 99.43 100.00 8.54e-123 . . . . 16362 1 3 no PDB 1O71 . "Crystal Structure Of The Water-Soluble State Of The Pore-Forming Cytolysin Sticholysin Ii Complexed With Glycerol" . . . . . 100.00 175 99.43 100.00 8.54e-123 . . . . 16362 1 4 no PDB 1O72 . "Crystal Structure Of The Water-soluble State Of The Pore-forming Cytolysin Sticholysin Ii Complexed With Phosphorylcholine" . . . . . 100.00 175 99.43 100.00 8.54e-123 . . . . 16362 1 5 no PDB 2L2B . "Structure Of Stnii-Y111n, A Mutant Of The Sea Anemone Actinoporin Sticholysin Ii" . . . . . 100.00 175 98.86 99.43 1.50e-121 . . . . 16362 1 6 no PDB 2L38 . "R29q Sticholysin Ii Mutant" . . . . . 100.00 175 100.00 100.00 1.52e-123 . . . . 16362 1 7 no EMBL CAC20912 . "sticholysin II [Stichodactyla helianthus]" . . . . . 100.00 175 99.43 100.00 8.54e-123 . . . . 16362 1 8 no SP P07845 . "RecName: Full=DELTA-stichotoxin-She4b; Short=DELTA-SHTX-She4b; AltName: Full=Cytolysin III; AltName: Full=Sticholysin II; Short" . . . . . 100.00 175 99.43 100.00 8.54e-123 . . . . 16362 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID cytolysin 16362 1 Hemolysis 16362 1 'ion transport' 16362 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . ALA . 16362 1 2 . LEU . 16362 1 3 . ALA . 16362 1 4 . GLY . 16362 1 5 . THR . 16362 1 6 . ILE . 16362 1 7 . ILE . 16362 1 8 . ALA . 16362 1 9 . GLY . 16362 1 10 . ALA . 16362 1 11 . SER . 16362 1 12 . LEU . 16362 1 13 . THR . 16362 1 14 . PHE . 16362 1 15 . GLN . 16362 1 16 . VAL . 16362 1 17 . LEU . 16362 1 18 . ASP . 16362 1 19 . LYS . 16362 1 20 . VAL . 16362 1 21 . LEU . 16362 1 22 . GLU . 16362 1 23 . GLU . 16362 1 24 . LEU . 16362 1 25 . GLY . 16362 1 26 . LYS . 16362 1 27 . VAL . 16362 1 28 . SER . 16362 1 29 . GLN . 16362 1 30 . LYS . 16362 1 31 . ILE . 16362 1 32 . ALA . 16362 1 33 . VAL . 16362 1 34 . GLY . 16362 1 35 . ILE . 16362 1 36 . ASP . 16362 1 37 . ASN . 16362 1 38 . GLU . 16362 1 39 . SER . 16362 1 40 . GLY . 16362 1 41 . GLY . 16362 1 42 . THR . 16362 1 43 . TRP . 16362 1 44 . THR . 16362 1 45 . ALA . 16362 1 46 . LEU . 16362 1 47 . ASN . 16362 1 48 . ALA . 16362 1 49 . TYR . 16362 1 50 . PHE . 16362 1 51 . ARG . 16362 1 52 . SER . 16362 1 53 . GLY . 16362 1 54 . THR . 16362 1 55 . THR . 16362 1 56 . ASP . 16362 1 57 . VAL . 16362 1 58 . ILE . 16362 1 59 . LEU . 16362 1 60 . PRO . 16362 1 61 . GLU . 16362 1 62 . PHE . 16362 1 63 . VAL . 16362 1 64 . PRO . 16362 1 65 . ASN . 16362 1 66 . THR . 16362 1 67 . LYS . 16362 1 68 . ALA . 16362 1 69 . LEU . 16362 1 70 . LEU . 16362 1 71 . TYR . 16362 1 72 . SER . 16362 1 73 . GLY . 16362 1 74 . ARG . 16362 1 75 . LYS . 16362 1 76 . ASP . 16362 1 77 . THR . 16362 1 78 . GLY . 16362 1 79 . PRO . 16362 1 80 . VAL . 16362 1 81 . ALA . 16362 1 82 . THR . 16362 1 83 . GLY . 16362 1 84 . ALA . 16362 1 85 . VAL . 16362 1 86 . ALA . 16362 1 87 . ALA . 16362 1 88 . PHE . 16362 1 89 . ALA . 16362 1 90 . TYR . 16362 1 91 . TYR . 16362 1 92 . MET . 16362 1 93 . SER . 16362 1 94 . SER . 16362 1 95 . GLY . 16362 1 96 . ASN . 16362 1 97 . THR . 16362 1 98 . LEU . 16362 1 99 . GLY . 16362 1 100 . VAL . 16362 1 101 . MET . 16362 1 102 . PHE . 16362 1 103 . SER . 16362 1 104 . VAL . 16362 1 105 . PRO . 16362 1 106 . PHE . 16362 1 107 . ASP . 16362 1 108 . TYR . 16362 1 109 . ASN . 16362 1 110 . TRP . 16362 1 111 . TYR . 16362 1 112 . SER . 16362 1 113 . ASN . 16362 1 114 . TRP . 16362 1 115 . TRP . 16362 1 116 . ASP . 16362 1 117 . VAL . 16362 1 118 . LYS . 16362 1 119 . ILE . 16362 1 120 . TYR . 16362 1 121 . SER . 16362 1 122 . GLY . 16362 1 123 . LYS . 16362 1 124 . ARG . 16362 1 125 . ARG . 16362 1 126 . ALA . 16362 1 127 . ASP . 16362 1 128 . GLN . 16362 1 129 . GLY . 16362 1 130 . MET . 16362 1 131 . TYR . 16362 1 132 . GLU . 16362 1 133 . ASP . 16362 1 134 . LEU . 16362 1 135 . TYR . 16362 1 136 . TYR . 16362 1 137 . GLY . 16362 1 138 . ASN . 16362 1 139 . PRO . 16362 1 140 . TYR . 16362 1 141 . ARG . 16362 1 142 . GLY . 16362 1 143 . ASP . 16362 1 144 . ASN . 16362 1 145 . GLY . 16362 1 146 . TRP . 16362 1 147 . HIS . 16362 1 148 . GLU . 16362 1 149 . LYS . 16362 1 150 . ASN . 16362 1 151 . LEU . 16362 1 152 . GLY . 16362 1 153 . TYR . 16362 1 154 . GLY . 16362 1 155 . LEU . 16362 1 156 . ARG . 16362 1 157 . MET . 16362 1 158 . LYS . 16362 1 159 . GLY . 16362 1 160 . ILE . 16362 1 161 . MET . 16362 1 162 . THR . 16362 1 163 . SER . 16362 1 164 . ALA . 16362 1 165 . GLY . 16362 1 166 . GLU . 16362 1 167 . ALA . 16362 1 168 . LYS . 16362 1 169 . MET . 16362 1 170 . GLN . 16362 1 171 . ILE . 16362 1 172 . LYS . 16362 1 173 . ILE . 16362 1 174 . SER . 16362 1 175 . ARG . 16362 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 16362 1 . LEU 2 2 16362 1 . ALA 3 3 16362 1 . GLY 4 4 16362 1 . THR 5 5 16362 1 . ILE 6 6 16362 1 . ILE 7 7 16362 1 . ALA 8 8 16362 1 . GLY 9 9 16362 1 . ALA 10 10 16362 1 . SER 11 11 16362 1 . LEU 12 12 16362 1 . THR 13 13 16362 1 . PHE 14 14 16362 1 . GLN 15 15 16362 1 . VAL 16 16 16362 1 . LEU 17 17 16362 1 . ASP 18 18 16362 1 . LYS 19 19 16362 1 . VAL 20 20 16362 1 . LEU 21 21 16362 1 . GLU 22 22 16362 1 . GLU 23 23 16362 1 . LEU 24 24 16362 1 . GLY 25 25 16362 1 . LYS 26 26 16362 1 . VAL 27 27 16362 1 . SER 28 28 16362 1 . GLN 29 29 16362 1 . LYS 30 30 16362 1 . ILE 31 31 16362 1 . ALA 32 32 16362 1 . VAL 33 33 16362 1 . GLY 34 34 16362 1 . ILE 35 35 16362 1 . ASP 36 36 16362 1 . ASN 37 37 16362 1 . GLU 38 38 16362 1 . SER 39 39 16362 1 . GLY 40 40 16362 1 . GLY 41 41 16362 1 . THR 42 42 16362 1 . TRP 43 43 16362 1 . THR 44 44 16362 1 . ALA 45 45 16362 1 . LEU 46 46 16362 1 . ASN 47 47 16362 1 . ALA 48 48 16362 1 . TYR 49 49 16362 1 . PHE 50 50 16362 1 . ARG 51 51 16362 1 . SER 52 52 16362 1 . GLY 53 53 16362 1 . THR 54 54 16362 1 . THR 55 55 16362 1 . ASP 56 56 16362 1 . VAL 57 57 16362 1 . ILE 58 58 16362 1 . LEU 59 59 16362 1 . PRO 60 60 16362 1 . GLU 61 61 16362 1 . PHE 62 62 16362 1 . VAL 63 63 16362 1 . PRO 64 64 16362 1 . ASN 65 65 16362 1 . THR 66 66 16362 1 . LYS 67 67 16362 1 . ALA 68 68 16362 1 . LEU 69 69 16362 1 . LEU 70 70 16362 1 . TYR 71 71 16362 1 . SER 72 72 16362 1 . GLY 73 73 16362 1 . ARG 74 74 16362 1 . LYS 75 75 16362 1 . ASP 76 76 16362 1 . THR 77 77 16362 1 . GLY 78 78 16362 1 . PRO 79 79 16362 1 . VAL 80 80 16362 1 . ALA 81 81 16362 1 . THR 82 82 16362 1 . GLY 83 83 16362 1 . ALA 84 84 16362 1 . VAL 85 85 16362 1 . ALA 86 86 16362 1 . ALA 87 87 16362 1 . PHE 88 88 16362 1 . ALA 89 89 16362 1 . TYR 90 90 16362 1 . TYR 91 91 16362 1 . MET 92 92 16362 1 . SER 93 93 16362 1 . SER 94 94 16362 1 . GLY 95 95 16362 1 . ASN 96 96 16362 1 . THR 97 97 16362 1 . LEU 98 98 16362 1 . GLY 99 99 16362 1 . VAL 100 100 16362 1 . MET 101 101 16362 1 . PHE 102 102 16362 1 . SER 103 103 16362 1 . VAL 104 104 16362 1 . PRO 105 105 16362 1 . PHE 106 106 16362 1 . ASP 107 107 16362 1 . TYR 108 108 16362 1 . ASN 109 109 16362 1 . TRP 110 110 16362 1 . TYR 111 111 16362 1 . SER 112 112 16362 1 . ASN 113 113 16362 1 . TRP 114 114 16362 1 . TRP 115 115 16362 1 . ASP 116 116 16362 1 . VAL 117 117 16362 1 . LYS 118 118 16362 1 . ILE 119 119 16362 1 . TYR 120 120 16362 1 . SER 121 121 16362 1 . GLY 122 122 16362 1 . LYS 123 123 16362 1 . ARG 124 124 16362 1 . ARG 125 125 16362 1 . ALA 126 126 16362 1 . ASP 127 127 16362 1 . GLN 128 128 16362 1 . GLY 129 129 16362 1 . MET 130 130 16362 1 . TYR 131 131 16362 1 . GLU 132 132 16362 1 . ASP 133 133 16362 1 . LEU 134 134 16362 1 . TYR 135 135 16362 1 . TYR 136 136 16362 1 . GLY 137 137 16362 1 . ASN 138 138 16362 1 . PRO 139 139 16362 1 . TYR 140 140 16362 1 . ARG 141 141 16362 1 . GLY 142 142 16362 1 . ASP 143 143 16362 1 . ASN 144 144 16362 1 . GLY 145 145 16362 1 . TRP 146 146 16362 1 . HIS 147 147 16362 1 . GLU 148 148 16362 1 . LYS 149 149 16362 1 . ASN 150 150 16362 1 . LEU 151 151 16362 1 . GLY 152 152 16362 1 . TYR 153 153 16362 1 . GLY 154 154 16362 1 . LEU 155 155 16362 1 . ARG 156 156 16362 1 . MET 157 157 16362 1 . LYS 158 158 16362 1 . GLY 159 159 16362 1 . ILE 160 160 16362 1 . MET 161 161 16362 1 . THR 162 162 16362 1 . SER 163 163 16362 1 . ALA 164 164 16362 1 . GLY 165 165 16362 1 . GLU 166 166 16362 1 . ALA 167 167 16362 1 . LYS 168 168 16362 1 . MET 169 169 16362 1 . GLN 170 170 16362 1 . ILE 171 171 16362 1 . LYS 172 172 16362 1 . ILE 173 173 16362 1 . SER 174 174 16362 1 . ARG 175 175 16362 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16362 _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 $R29Q_StnII . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16362 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 16362 _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 $R29Q_StnII . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE60 . . . . . . 16362 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16362 _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 'R29Q StnII' '[U-13C]; [U-15N]' . . 1 $R29Q_StnII . . 0.5 . . mM 0.1 . . . 16362 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16362 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16362 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16362 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'R29Q StnII' 'natural abundance' . . 1 $R29Q_StnII . . 0.5 . . mM 0.1 . . . 16362 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16362 2 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 16362 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 4 . pH 16362 1 pressure 1 . atm 16362 1 temperature 298 . K 16362 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16362 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16362 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16362 1 'data analysis' 16362 1 'peak picking' 16362 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16362 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16362 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16362 2 processing 16362 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 16362 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV800 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800.2 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 16362 _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 Bruker AV800 . 800.2 . . . 16362 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 16362 _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 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 5 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 12 '2D 1H-1H COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 13 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16362 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16362 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 . indirect 0.251449530 . . . . . . . . . 16362 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.00000 . . . . . . . . . 16362 1 N 15 DSS 'methyl protons' . . . . ppm 0 . indirect 0.101329118 . . . . . . . . . 16362 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16362 _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 $chemical_shift_reference_1 _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' . . . 16362 1 2 '2D 1H-13C HSQC' . . . 16362 1 3 '3D HNCACB' . . . 16362 1 4 '3D CBCA(CO)NH' . . . 16362 1 5 '3D HN(CO)CA' . . . 16362 1 6 '3D HNCA' . . . 16362 1 7 '3D HCCH-TOCSY' . . . 16362 1 8 '3D HNHA' . . . 16362 1 9 '3D 1H-15N NOESY' . . . 16362 1 10 '3D 1H-13C NOESY' . . . 16362 1 11 '2D 1H-1H TOCSY' . . . 16362 1 12 '2D 1H-1H COSY' . . . 16362 1 13 '2D 1H-1H NOESY' . . . 16362 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 16362 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA HA H 1 4.079 0.005 . 1 . . . . 1 ALA HA . 16362 1 2 . 1 1 1 1 ALA HB1 H 1 1.568 0.004 . 1 . . . . 1 ALA HB . 16362 1 3 . 1 1 1 1 ALA HB2 H 1 1.568 0.004 . 1 . . . . 1 ALA HB . 16362 1 4 . 1 1 1 1 ALA HB3 H 1 1.568 0.004 . 1 . . . . 1 ALA HB . 16362 1 5 . 1 1 1 1 ALA CA C 13 51.802 0.087 . 1 . . . . 1 ALA CA . 16362 1 6 . 1 1 1 1 ALA CB C 13 18.898 0.042 . 1 . . . . 1 ALA CB . 16362 1 7 . 1 1 2 2 LEU H H 1 11.190 0.021 . 1 . . . . 2 LEU H . 16362 1 8 . 1 1 2 2 LEU HB2 H 1 1.346 0.000 . 2 . . . . 2 LEU HB2 . 16362 1 9 . 1 1 2 2 LEU HB3 H 1 1.645 0.000 . 2 . . . . 2 LEU HB3 . 16362 1 10 . 1 1 2 2 LEU HD11 H 1 0.776 0.000 . 1 . . . . 2 LEU HD1 . 16362 1 11 . 1 1 2 2 LEU HD12 H 1 0.776 0.000 . 1 . . . . 2 LEU HD1 . 16362 1 12 . 1 1 2 2 LEU HD13 H 1 0.776 0.000 . 1 . . . . 2 LEU HD1 . 16362 1 13 . 1 1 2 2 LEU HD21 H 1 0.808 0.000 . 1 . . . . 2 LEU HD2 . 16362 1 14 . 1 1 2 2 LEU HD22 H 1 0.808 0.000 . 1 . . . . 2 LEU HD2 . 16362 1 15 . 1 1 2 2 LEU HD23 H 1 0.808 0.000 . 1 . . . . 2 LEU HD2 . 16362 1 16 . 1 1 2 2 LEU N N 15 124.742 0.059 . 1 . . . . 2 LEU N . 16362 1 17 . 1 1 3 3 ALA H H 1 9.386 0.007 . 1 . . . . 3 ALA H . 16362 1 18 . 1 1 3 3 ALA HA H 1 3.904 0.007 . 1 . . . . 3 ALA HA . 16362 1 19 . 1 1 3 3 ALA HB1 H 1 1.392 0.004 . 1 . . . . 3 ALA HB . 16362 1 20 . 1 1 3 3 ALA HB2 H 1 1.392 0.004 . 1 . . . . 3 ALA HB . 16362 1 21 . 1 1 3 3 ALA HB3 H 1 1.392 0.004 . 1 . . . . 3 ALA HB . 16362 1 22 . 1 1 3 3 ALA CA C 13 53.857 0.047 . 1 . . . . 3 ALA CA . 16362 1 23 . 1 1 3 3 ALA CB C 13 18.969 0.061 . 1 . . . . 3 ALA CB . 16362 1 24 . 1 1 3 3 ALA N N 15 123.175 0.032 . 1 . . . . 3 ALA N . 16362 1 25 . 1 1 4 4 GLY H H 1 8.877 0.006 . 1 . . . . 4 GLY H . 16362 1 26 . 1 1 4 4 GLY HA2 H 1 3.607 0.003 . 2 . . . . 4 GLY HA2 . 16362 1 27 . 1 1 4 4 GLY HA3 H 1 4.236 0.007 . 2 . . . . 4 GLY HA3 . 16362 1 28 . 1 1 4 4 GLY CA C 13 45.188 0.062 . 1 . . . . 4 GLY CA . 16362 1 29 . 1 1 4 4 GLY N N 15 107.273 0.039 . 1 . . . . 4 GLY N . 16362 1 30 . 1 1 5 5 THR H H 1 7.744 0.011 . 1 . . . . 5 THR H . 16362 1 31 . 1 1 5 5 THR HA H 1 4.983 0.008 . 1 . . . . 5 THR HA . 16362 1 32 . 1 1 5 5 THR HB H 1 4.458 0.006 . 1 . . . . 5 THR HB . 16362 1 33 . 1 1 5 5 THR HG21 H 1 1.229 0.002 . 1 . . . . 5 THR HG2 . 16362 1 34 . 1 1 5 5 THR HG22 H 1 1.229 0.002 . 1 . . . . 5 THR HG2 . 16362 1 35 . 1 1 5 5 THR HG23 H 1 1.229 0.002 . 1 . . . . 5 THR HG2 . 16362 1 36 . 1 1 5 5 THR CA C 13 60.532 0.079 . 1 . . . . 5 THR CA . 16362 1 37 . 1 1 5 5 THR CB C 13 72.039 0.052 . 1 . . . . 5 THR CB . 16362 1 38 . 1 1 5 5 THR N N 15 111.873 0.026 . 1 . . . . 5 THR N . 16362 1 39 . 1 1 6 6 ILE H H 1 7.785 0.011 . 1 . . . . 6 ILE H . 16362 1 40 . 1 1 6 6 ILE HA H 1 5.639 0.005 . 1 . . . . 6 ILE HA . 16362 1 41 . 1 1 6 6 ILE HB H 1 1.906 0.002 . 1 . . . . 6 ILE HB . 16362 1 42 . 1 1 6 6 ILE HD11 H 1 1.004 0.002 . 1 . . . . 6 ILE HD1 . 16362 1 43 . 1 1 6 6 ILE HD12 H 1 1.004 0.002 . 1 . . . . 6 ILE HD1 . 16362 1 44 . 1 1 6 6 ILE HD13 H 1 1.004 0.002 . 1 . . . . 6 ILE HD1 . 16362 1 45 . 1 1 6 6 ILE HG12 H 1 1.620 0.003 . 2 . . . . 6 ILE HG12 . 16362 1 46 . 1 1 6 6 ILE HG13 H 1 1.376 0.006 . 2 . . . . 6 ILE HG13 . 16362 1 47 . 1 1 6 6 ILE HG21 H 1 1.082 0.005 . 1 . . . . 6 ILE HG2 . 16362 1 48 . 1 1 6 6 ILE HG22 H 1 1.082 0.005 . 1 . . . . 6 ILE HG2 . 16362 1 49 . 1 1 6 6 ILE HG23 H 1 1.082 0.005 . 1 . . . . 6 ILE HG2 . 16362 1 50 . 1 1 6 6 ILE CA C 13 58.110 0.061 . 1 . . . . 6 ILE CA . 16362 1 51 . 1 1 6 6 ILE CB C 13 41.197 0.061 . 1 . . . . 6 ILE CB . 16362 1 52 . 1 1 6 6 ILE CD1 C 13 14.313 0.087 . 1 . . . . 6 ILE CD1 . 16362 1 53 . 1 1 6 6 ILE CG1 C 13 25.712 0.070 . 1 . . . . 6 ILE CG1 . 16362 1 54 . 1 1 6 6 ILE CG2 C 13 18.759 0.061 . 1 . . . . 6 ILE CG2 . 16362 1 55 . 1 1 6 6 ILE N N 15 110.473 0.071 . 1 . . . . 6 ILE N . 16362 1 56 . 1 1 7 7 ILE H H 1 9.017 0.011 . 1 . . . . 7 ILE H . 16362 1 57 . 1 1 7 7 ILE HA H 1 4.840 0.014 . 1 . . . . 7 ILE HA . 16362 1 58 . 1 1 7 7 ILE HB H 1 2.028 0.004 . 1 . . . . 7 ILE HB . 16362 1 59 . 1 1 7 7 ILE HD11 H 1 0.792 0.008 . 1 . . . . 7 ILE HD1 . 16362 1 60 . 1 1 7 7 ILE HD12 H 1 0.792 0.008 . 1 . . . . 7 ILE HD1 . 16362 1 61 . 1 1 7 7 ILE HD13 H 1 0.792 0.008 . 1 . . . . 7 ILE HD1 . 16362 1 62 . 1 1 7 7 ILE HG12 H 1 0.874 0.000 . 2 . . . . 7 ILE HG12 . 16362 1 63 . 1 1 7 7 ILE HG13 H 1 1.314 0.004 . 2 . . . . 7 ILE HG13 . 16362 1 64 . 1 1 7 7 ILE HG21 H 1 0.877 0.012 . 1 . . . . 7 ILE HG2 . 16362 1 65 . 1 1 7 7 ILE HG22 H 1 0.877 0.012 . 1 . . . . 7 ILE HG2 . 16362 1 66 . 1 1 7 7 ILE HG23 H 1 0.877 0.012 . 1 . . . . 7 ILE HG2 . 16362 1 67 . 1 1 7 7 ILE CA C 13 59.044 0.058 . 1 . . . . 7 ILE CA . 16362 1 68 . 1 1 7 7 ILE CB C 13 43.169 0.072 . 1 . . . . 7 ILE CB . 16362 1 69 . 1 1 7 7 ILE CD1 C 13 14.065 0.038 . 1 . . . . 7 ILE CD1 . 16362 1 70 . 1 1 7 7 ILE CG1 C 13 25.325 0.088 . 1 . . . . 7 ILE CG1 . 16362 1 71 . 1 1 7 7 ILE CG2 C 13 17.915 0.081 . 1 . . . . 7 ILE CG2 . 16362 1 72 . 1 1 7 7 ILE N N 15 116.938 0.073 . 1 . . . . 7 ILE N . 16362 1 73 . 1 1 8 8 ALA H H 1 8.716 0.011 . 1 . . . . 8 ALA H . 16362 1 74 . 1 1 8 8 ALA HA H 1 4.350 0.006 . 1 . . . . 8 ALA HA . 16362 1 75 . 1 1 8 8 ALA HB1 H 1 1.522 0.009 . 1 . . . . 8 ALA HB . 16362 1 76 . 1 1 8 8 ALA HB2 H 1 1.522 0.009 . 1 . . . . 8 ALA HB . 16362 1 77 . 1 1 8 8 ALA HB3 H 1 1.522 0.009 . 1 . . . . 8 ALA HB . 16362 1 78 . 1 1 8 8 ALA CA C 13 53.508 0.048 . 1 . . . . 8 ALA CA . 16362 1 79 . 1 1 8 8 ALA CB C 13 17.571 0.058 . 1 . . . . 8 ALA CB . 16362 1 80 . 1 1 8 8 ALA N N 15 123.970 0.042 . 1 . . . . 8 ALA N . 16362 1 81 . 1 1 9 9 GLY H H 1 9.410 0.014 . 1 . . . . 9 GLY H . 16362 1 82 . 1 1 9 9 GLY HA2 H 1 3.471 0.006 . 2 . . . . 9 GLY HA2 . 16362 1 83 . 1 1 9 9 GLY HA3 H 1 3.713 0.008 . 2 . . . . 9 GLY HA3 . 16362 1 84 . 1 1 9 9 GLY CA C 13 48.476 0.057 . 1 . . . . 9 GLY CA . 16362 1 85 . 1 1 9 9 GLY N N 15 115.466 0.028 . 1 . . . . 9 GLY N . 16362 1 86 . 1 1 10 10 ALA H H 1 8.422 0.006 . 1 . . . . 10 ALA H . 16362 1 87 . 1 1 10 10 ALA HA H 1 4.185 0.006 . 1 . . . . 10 ALA HA . 16362 1 88 . 1 1 10 10 ALA HB1 H 1 1.417 0.004 . 1 . . . . 10 ALA HB . 16362 1 89 . 1 1 10 10 ALA HB2 H 1 1.417 0.004 . 1 . . . . 10 ALA HB . 16362 1 90 . 1 1 10 10 ALA HB3 H 1 1.417 0.004 . 1 . . . . 10 ALA HB . 16362 1 91 . 1 1 10 10 ALA CA C 13 53.642 0.042 . 1 . . . . 10 ALA CA . 16362 1 92 . 1 1 10 10 ALA CB C 13 18.198 0.074 . 1 . . . . 10 ALA CB . 16362 1 93 . 1 1 10 10 ALA N N 15 120.279 0.023 . 1 . . . . 10 ALA N . 16362 1 94 . 1 1 11 11 SER H H 1 7.799 0.005 . 1 . . . . 11 SER H . 16362 1 95 . 1 1 11 11 SER HA H 1 4.513 0.005 . 1 . . . . 11 SER HA . 16362 1 96 . 1 1 11 11 SER HB2 H 1 4.051 0.004 . 2 . . . . 11 SER HB2 . 16362 1 97 . 1 1 11 11 SER HB3 H 1 4.117 0.007 . 2 . . . . 11 SER HB3 . 16362 1 98 . 1 1 11 11 SER CA C 13 58.315 0.036 . 1 . . . . 11 SER CA . 16362 1 99 . 1 1 11 11 SER CB C 13 64.151 0.047 . 1 . . . . 11 SER CB . 16362 1 100 . 1 1 11 11 SER N N 15 111.504 0.038 . 1 . . . . 11 SER N . 16362 1 101 . 1 1 12 12 LEU H H 1 7.428 0.013 . 1 . . . . 12 LEU H . 16362 1 102 . 1 1 12 12 LEU HA H 1 4.037 0.005 . 1 . . . . 12 LEU HA . 16362 1 103 . 1 1 12 12 LEU HB2 H 1 1.087 0.013 . 2 . . . . 12 LEU HB2 . 16362 1 104 . 1 1 12 12 LEU HB3 H 1 2.262 0.012 . 2 . . . . 12 LEU HB3 . 16362 1 105 . 1 1 12 12 LEU HD11 H 1 0.873 0.010 . 1 . . . . 12 LEU HD1 . 16362 1 106 . 1 1 12 12 LEU HD12 H 1 0.873 0.010 . 1 . . . . 12 LEU HD1 . 16362 1 107 . 1 1 12 12 LEU HD13 H 1 0.873 0.010 . 1 . . . . 12 LEU HD1 . 16362 1 108 . 1 1 12 12 LEU HD21 H 1 0.873 0.010 . 1 . . . . 12 LEU HD2 . 16362 1 109 . 1 1 12 12 LEU HD22 H 1 0.873 0.010 . 1 . . . . 12 LEU HD2 . 16362 1 110 . 1 1 12 12 LEU HD23 H 1 0.873 0.010 . 1 . . . . 12 LEU HD2 . 16362 1 111 . 1 1 12 12 LEU HG H 1 1.010 0.001 . 1 . . . . 12 LEU HG . 16362 1 112 . 1 1 12 12 LEU N N 15 122.106 0.034 . 1 . . . . 12 LEU N . 16362 1 113 . 1 1 13 13 THR H H 1 6.832 0.011 . 1 . . . . 13 THR H . 16362 1 114 . 1 1 13 13 THR HA H 1 4.950 0.005 . 1 . . . . 13 THR HA . 16362 1 115 . 1 1 13 13 THR HB H 1 4.818 0.007 . 1 . . . . 13 THR HB . 16362 1 116 . 1 1 13 13 THR HG21 H 1 1.274 0.001 . 1 . . . . 13 THR HG2 . 16362 1 117 . 1 1 13 13 THR HG22 H 1 1.274 0.001 . 1 . . . . 13 THR HG2 . 16362 1 118 . 1 1 13 13 THR HG23 H 1 1.274 0.001 . 1 . . . . 13 THR HG2 . 16362 1 119 . 1 1 13 13 THR CA C 13 59.203 0.042 . 1 . . . . 13 THR CA . 16362 1 120 . 1 1 13 13 THR CB C 13 74.236 0.063 . 1 . . . . 13 THR CB . 16362 1 121 . 1 1 13 13 THR N N 15 117.116 0.038 . 1 . . . . 13 THR N . 16362 1 122 . 1 1 14 14 PHE H H 1 9.319 0.026 . 1 . . . . 14 PHE H . 16362 1 123 . 1 1 14 14 PHE HA H 1 4.409 0.005 . 1 . . . . 14 PHE HA . 16362 1 124 . 1 1 14 14 PHE HB2 H 1 3.200 0.014 . 2 . . . . 14 PHE HB2 . 16362 1 125 . 1 1 14 14 PHE HB3 H 1 3.373 0.016 . 2 . . . . 14 PHE HB3 . 16362 1 126 . 1 1 14 14 PHE HD1 H 1 7.350 0.010 . 1 . . . . 14 PHE HD1 . 16362 1 127 . 1 1 14 14 PHE HD2 H 1 7.350 0.010 . 1 . . . . 14 PHE HD2 . 16362 1 128 . 1 1 14 14 PHE HE1 H 1 7.110 0.003 . 1 . . . . 14 PHE HE1 . 16362 1 129 . 1 1 14 14 PHE HE2 H 1 7.110 0.003 . 1 . . . . 14 PHE HE2 . 16362 1 130 . 1 1 14 14 PHE HZ H 1 6.714 0.006 . 1 . . . . 14 PHE HZ . 16362 1 131 . 1 1 14 14 PHE CA C 13 59.282 0.030 . 1 . . . . 14 PHE CA . 16362 1 132 . 1 1 14 14 PHE CB C 13 36.888 0.072 . 1 . . . . 14 PHE CB . 16362 1 133 . 1 1 14 14 PHE N N 15 120.765 0.042 . 1 . . . . 14 PHE N . 16362 1 134 . 1 1 15 15 GLN H H 1 8.159 0.003 . 1 . . . . 15 GLN H . 16362 1 135 . 1 1 15 15 GLN HA H 1 4.293 0.005 . 1 . . . . 15 GLN HA . 16362 1 136 . 1 1 15 15 GLN HB2 H 1 2.122 0.003 . 2 . . . . 15 GLN HB2 . 16362 1 137 . 1 1 15 15 GLN HB3 H 1 2.212 0.007 . 2 . . . . 15 GLN HB3 . 16362 1 138 . 1 1 15 15 GLN HG2 H 1 2.536 0.003 . 1 . . . . 15 GLN HG2 . 16362 1 139 . 1 1 15 15 GLN HG3 H 1 2.536 0.003 . 1 . . . . 15 GLN HG3 . 16362 1 140 . 1 1 15 15 GLN CA C 13 60.064 0.035 . 1 . . . . 15 GLN CA . 16362 1 141 . 1 1 15 15 GLN CB C 13 27.924 0.012 . 1 . . . . 15 GLN CB . 16362 1 142 . 1 1 15 15 GLN CG C 13 34.694 0.051 . 1 . . . . 15 GLN CG . 16362 1 143 . 1 1 15 15 GLN N N 15 118.757 0.000 . 1 . . . . 15 GLN N . 16362 1 144 . 1 1 16 16 VAL H H 1 7.477 0.004 . 1 . . . . 16 VAL H . 16362 1 145 . 1 1 16 16 VAL HA H 1 3.715 0.007 . 1 . . . . 16 VAL HA . 16362 1 146 . 1 1 16 16 VAL HB H 1 2.279 0.005 . 1 . . . . 16 VAL HB . 16362 1 147 . 1 1 16 16 VAL HG11 H 1 1.018 0.006 . 2 . . . . 16 VAL HG1 . 16362 1 148 . 1 1 16 16 VAL HG12 H 1 1.018 0.006 . 2 . . . . 16 VAL HG1 . 16362 1 149 . 1 1 16 16 VAL HG13 H 1 1.018 0.006 . 2 . . . . 16 VAL HG1 . 16362 1 150 . 1 1 16 16 VAL HG21 H 1 1.253 0.008 . 2 . . . . 16 VAL HG2 . 16362 1 151 . 1 1 16 16 VAL HG22 H 1 1.253 0.008 . 2 . . . . 16 VAL HG2 . 16362 1 152 . 1 1 16 16 VAL HG23 H 1 1.253 0.008 . 2 . . . . 16 VAL HG2 . 16362 1 153 . 1 1 16 16 VAL CA C 13 66.278 0.060 . 1 . . . . 16 VAL CA . 16362 1 154 . 1 1 16 16 VAL CB C 13 32.235 0.070 . 1 . . . . 16 VAL CB . 16362 1 155 . 1 1 16 16 VAL CG1 C 13 21.767 0.091 . 2 . . . . 16 VAL CG1 . 16362 1 156 . 1 1 16 16 VAL CG2 C 13 22.624 0.047 . 2 . . . . 16 VAL CG2 . 16362 1 157 . 1 1 16 16 VAL N N 15 120.948 0.041 . 1 . . . . 16 VAL N . 16362 1 158 . 1 1 17 17 LEU H H 1 7.448 0.017 . 1 . . . . 17 LEU H . 16362 1 159 . 1 1 17 17 LEU HA H 1 3.977 0.004 . 1 . . . . 17 LEU HA . 16362 1 160 . 1 1 17 17 LEU HB2 H 1 1.149 0.005 . 2 . . . . 17 LEU HB2 . 16362 1 161 . 1 1 17 17 LEU HB3 H 1 1.826 0.009 . 2 . . . . 17 LEU HB3 . 16362 1 162 . 1 1 17 17 LEU HD11 H 1 0.650 0.005 . 1 . . . . 17 LEU HD1 . 16362 1 163 . 1 1 17 17 LEU HD12 H 1 0.650 0.005 . 1 . . . . 17 LEU HD1 . 16362 1 164 . 1 1 17 17 LEU HD13 H 1 0.650 0.005 . 1 . . . . 17 LEU HD1 . 16362 1 165 . 1 1 17 17 LEU HD21 H 1 0.650 0.005 . 1 . . . . 17 LEU HD2 . 16362 1 166 . 1 1 17 17 LEU HD22 H 1 0.650 0.005 . 1 . . . . 17 LEU HD2 . 16362 1 167 . 1 1 17 17 LEU HD23 H 1 0.650 0.005 . 1 . . . . 17 LEU HD2 . 16362 1 168 . 1 1 17 17 LEU HG H 1 0.807 0.009 . 1 . . . . 17 LEU HG . 16362 1 169 . 1 1 17 17 LEU N N 15 117.978 0.062 . 1 . . . . 17 LEU N . 16362 1 170 . 1 1 18 18 ASP H H 1 8.617 0.015 . 1 . . . . 18 ASP H . 16362 1 171 . 1 1 18 18 ASP HA H 1 4.524 0.010 . 1 . . . . 18 ASP HA . 16362 1 172 . 1 1 18 18 ASP HB2 H 1 2.633 0.019 . 2 . . . . 18 ASP HB2 . 16362 1 173 . 1 1 18 18 ASP HB3 H 1 2.873 0.009 . 2 . . . . 18 ASP HB3 . 16362 1 174 . 1 1 18 18 ASP CA C 13 57.671 0.072 . 1 . . . . 18 ASP CA . 16362 1 175 . 1 1 18 18 ASP CB C 13 39.807 0.021 . 1 . . . . 18 ASP CB . 16362 1 176 . 1 1 18 18 ASP N N 15 120.862 0.043 . 1 . . . . 18 ASP N . 16362 1 177 . 1 1 19 19 LYS H H 1 7.454 0.010 . 1 . . . . 19 LYS H . 16362 1 178 . 1 1 19 19 LYS HA H 1 4.137 0.006 . 1 . . . . 19 LYS HA . 16362 1 179 . 1 1 19 19 LYS HB2 H 1 1.876 0.005 . 2 . . . . 19 LYS HB2 . 16362 1 180 . 1 1 19 19 LYS HB3 H 1 2.170 0.006 . 2 . . . . 19 LYS HB3 . 16362 1 181 . 1 1 19 19 LYS HD2 H 1 1.699 0.003 . 1 . . . . 19 LYS HD2 . 16362 1 182 . 1 1 19 19 LYS HD3 H 1 1.699 0.003 . 1 . . . . 19 LYS HD3 . 16362 1 183 . 1 1 19 19 LYS HE2 H 1 3.001 0.011 . 1 . . . . 19 LYS HE2 . 16362 1 184 . 1 1 19 19 LYS HE3 H 1 3.001 0.011 . 1 . . . . 19 LYS HE3 . 16362 1 185 . 1 1 19 19 LYS HG2 H 1 1.514 0.004 . 2 . . . . 19 LYS HG2 . 16362 1 186 . 1 1 19 19 LYS HG3 H 1 1.704 0.005 . 2 . . . . 19 LYS HG3 . 16362 1 187 . 1 1 19 19 LYS CA C 13 59.164 0.071 . 1 . . . . 19 LYS CA . 16362 1 188 . 1 1 19 19 LYS CB C 13 31.447 0.051 . 1 . . . . 19 LYS CB . 16362 1 189 . 1 1 19 19 LYS CD C 13 28.988 0.078 . 1 . . . . 19 LYS CD . 16362 1 190 . 1 1 19 19 LYS CE C 13 41.903 0.027 . 1 . . . . 19 LYS CE . 16362 1 191 . 1 1 19 19 LYS CG C 13 25.143 0.066 . 1 . . . . 19 LYS CG . 16362 1 192 . 1 1 19 19 LYS N N 15 121.411 0.032 . 1 . . . . 19 LYS N . 16362 1 193 . 1 1 20 20 VAL H H 1 7.687 0.011 . 1 . . . . 20 VAL H . 16362 1 194 . 1 1 20 20 VAL HA H 1 3.663 0.006 . 1 . . . . 20 VAL HA . 16362 1 195 . 1 1 20 20 VAL HB H 1 2.476 0.013 . 1 . . . . 20 VAL HB . 16362 1 196 . 1 1 20 20 VAL HG11 H 1 1.002 0.004 . 2 . . . . 20 VAL HG1 . 16362 1 197 . 1 1 20 20 VAL HG12 H 1 1.002 0.004 . 2 . . . . 20 VAL HG1 . 16362 1 198 . 1 1 20 20 VAL HG13 H 1 1.002 0.004 . 2 . . . . 20 VAL HG1 . 16362 1 199 . 1 1 20 20 VAL HG21 H 1 1.026 0.002 . 2 . . . . 20 VAL HG2 . 16362 1 200 . 1 1 20 20 VAL HG22 H 1 1.026 0.002 . 2 . . . . 20 VAL HG2 . 16362 1 201 . 1 1 20 20 VAL HG23 H 1 1.026 0.002 . 2 . . . . 20 VAL HG2 . 16362 1 202 . 1 1 20 20 VAL CA C 13 66.017 0.059 . 1 . . . . 20 VAL CA . 16362 1 203 . 1 1 20 20 VAL CB C 13 30.816 0.093 . 1 . . . . 20 VAL CB . 16362 1 204 . 1 1 20 20 VAL CG1 C 13 22.785 0.029 . 1 . . . . 20 VAL CG1 . 16362 1 205 . 1 1 20 20 VAL CG2 C 13 22.785 0.029 . 1 . . . . 20 VAL CG2 . 16362 1 206 . 1 1 20 20 VAL N N 15 121.982 0.057 . 1 . . . . 20 VAL N . 16362 1 207 . 1 1 21 21 LEU H H 1 8.158 0.014 . 1 . . . . 21 LEU H . 16362 1 208 . 1 1 21 21 LEU HA H 1 3.992 0.011 . 1 . . . . 21 LEU HA . 16362 1 209 . 1 1 21 21 LEU HB2 H 1 1.242 0.002 . 2 . . . . 21 LEU HB2 . 16362 1 210 . 1 1 21 21 LEU HB3 H 1 2.232 0.005 . 2 . . . . 21 LEU HB3 . 16362 1 211 . 1 1 21 21 LEU HD11 H 1 0.727 0.016 . 1 . . . . 21 LEU HD1 . 16362 1 212 . 1 1 21 21 LEU HD12 H 1 0.727 0.016 . 1 . . . . 21 LEU HD1 . 16362 1 213 . 1 1 21 21 LEU HD13 H 1 0.727 0.016 . 1 . . . . 21 LEU HD1 . 16362 1 214 . 1 1 21 21 LEU HD21 H 1 0.727 0.016 . 1 . . . . 21 LEU HD2 . 16362 1 215 . 1 1 21 21 LEU HD22 H 1 0.727 0.016 . 1 . . . . 21 LEU HD2 . 16362 1 216 . 1 1 21 21 LEU HD23 H 1 0.727 0.016 . 1 . . . . 21 LEU HD2 . 16362 1 217 . 1 1 21 21 LEU HG H 1 1.702 0.015 . 1 . . . . 21 LEU HG . 16362 1 218 . 1 1 21 21 LEU N N 15 118.262 0.063 . 1 . . . . 21 LEU N . 16362 1 219 . 1 1 22 22 GLU H H 1 8.120 0.006 . 1 . . . . 22 GLU H . 16362 1 220 . 1 1 22 22 GLU HA H 1 4.051 0.013 . 1 . . . . 22 GLU HA . 16362 1 221 . 1 1 22 22 GLU HB2 H 1 2.217 0.007 . 1 . . . . 22 GLU HB2 . 16362 1 222 . 1 1 22 22 GLU HB3 H 1 2.217 0.007 . 1 . . . . 22 GLU HB3 . 16362 1 223 . 1 1 22 22 GLU HG2 H 1 2.448 0.030 . 2 . . . . 22 GLU HG2 . 16362 1 224 . 1 1 22 22 GLU HG3 H 1 2.553 0.029 . 2 . . . . 22 GLU HG3 . 16362 1 225 . 1 1 22 22 GLU CA C 13 58.944 0.091 . 1 . . . . 22 GLU CA . 16362 1 226 . 1 1 22 22 GLU CB C 13 28.653 0.096 . 1 . . . . 22 GLU CB . 16362 1 227 . 1 1 22 22 GLU CG C 13 34.072 0.073 . 1 . . . . 22 GLU CG . 16362 1 228 . 1 1 22 22 GLU N N 15 120.836 0.080 . 1 . . . . 22 GLU N . 16362 1 229 . 1 1 23 23 GLU H H 1 7.751 0.011 . 1 . . . . 23 GLU H . 16362 1 230 . 1 1 23 23 GLU HA H 1 4.286 0.008 . 1 . . . . 23 GLU HA . 16362 1 231 . 1 1 23 23 GLU HB2 H 1 2.145 0.006 . 2 . . . . 23 GLU HB2 . 16362 1 232 . 1 1 23 23 GLU HB3 H 1 2.331 0.008 . 2 . . . . 23 GLU HB3 . 16362 1 233 . 1 1 23 23 GLU HG2 H 1 2.371 0.004 . 2 . . . . 23 GLU HG2 . 16362 1 234 . 1 1 23 23 GLU HG3 H 1 2.948 0.012 . 2 . . . . 23 GLU HG3 . 16362 1 235 . 1 1 23 23 GLU CA C 13 57.588 0.042 . 1 . . . . 23 GLU CA . 16362 1 236 . 1 1 23 23 GLU CB C 13 28.396 0.079 . 1 . . . . 23 GLU CB . 16362 1 237 . 1 1 23 23 GLU CG C 13 34.917 0.046 . 1 . . . . 23 GLU CG . 16362 1 238 . 1 1 23 23 GLU N N 15 119.796 0.061 . 1 . . . . 23 GLU N . 16362 1 239 . 1 1 24 24 LEU H H 1 7.209 0.010 . 1 . . . . 24 LEU H . 16362 1 240 . 1 1 24 24 LEU HA H 1 4.237 0.006 . 1 . . . . 24 LEU HA . 16362 1 241 . 1 1 24 24 LEU HB2 H 1 1.446 0.012 . 2 . . . . 24 LEU HB2 . 16362 1 242 . 1 1 24 24 LEU HB3 H 1 1.962 0.017 . 2 . . . . 24 LEU HB3 . 16362 1 243 . 1 1 24 24 LEU HD11 H 1 0.889 0.001 . 1 . . . . 24 LEU HD1 . 16362 1 244 . 1 1 24 24 LEU HD12 H 1 0.889 0.001 . 1 . . . . 24 LEU HD1 . 16362 1 245 . 1 1 24 24 LEU HD13 H 1 0.889 0.001 . 1 . . . . 24 LEU HD1 . 16362 1 246 . 1 1 24 24 LEU HD21 H 1 0.889 0.001 . 1 . . . . 24 LEU HD2 . 16362 1 247 . 1 1 24 24 LEU HD22 H 1 0.889 0.001 . 1 . . . . 24 LEU HD2 . 16362 1 248 . 1 1 24 24 LEU HD23 H 1 0.889 0.001 . 1 . . . . 24 LEU HD2 . 16362 1 249 . 1 1 24 24 LEU HG H 1 0.986 0.008 . 1 . . . . 24 LEU HG . 16362 1 250 . 1 1 24 24 LEU N N 15 119.835 0.049 . 1 . . . . 24 LEU N . 16362 1 251 . 1 1 25 25 GLY H H 1 7.378 0.003 . 1 . . . . 25 GLY H . 16362 1 252 . 1 1 25 25 GLY HA2 H 1 3.871 0.007 . 2 . . . . 25 GLY HA2 . 16362 1 253 . 1 1 25 25 GLY HA3 H 1 4.131 0.010 . 2 . . . . 25 GLY HA3 . 16362 1 254 . 1 1 25 25 GLY CA C 13 44.599 0.094 . 1 . . . . 25 GLY CA . 16362 1 255 . 1 1 25 25 GLY N N 15 103.913 0.028 . 1 . . . . 25 GLY N . 16362 1 256 . 1 1 26 26 LYS H H 1 8.594 0.005 . 1 . . . . 26 LYS H . 16362 1 257 . 1 1 26 26 LYS HA H 1 4.323 0.005 . 1 . . . . 26 LYS HA . 16362 1 258 . 1 1 26 26 LYS HB2 H 1 1.726 0.006 . 2 . . . . 26 LYS HB2 . 16362 1 259 . 1 1 26 26 LYS HB3 H 1 1.885 0.003 . 2 . . . . 26 LYS HB3 . 16362 1 260 . 1 1 26 26 LYS HD2 H 1 1.705 0.003 . 1 . . . . 26 LYS HD2 . 16362 1 261 . 1 1 26 26 LYS HD3 H 1 1.705 0.003 . 1 . . . . 26 LYS HD3 . 16362 1 262 . 1 1 26 26 LYS HE2 H 1 3.018 0.002 . 1 . . . . 26 LYS HE2 . 16362 1 263 . 1 1 26 26 LYS HE3 H 1 3.018 0.002 . 1 . . . . 26 LYS HE3 . 16362 1 264 . 1 1 26 26 LYS HG2 H 1 1.384 0.005 . 2 . . . . 26 LYS HG2 . 16362 1 265 . 1 1 26 26 LYS HG3 H 1 1.459 0.020 . 2 . . . . 26 LYS HG3 . 16362 1 266 . 1 1 26 26 LYS CA C 13 56.391 0.046 . 1 . . . . 26 LYS CA . 16362 1 267 . 1 1 26 26 LYS CB C 13 30.721 0.030 . 1 . . . . 26 LYS CB . 16362 1 268 . 1 1 26 26 LYS CD C 13 29.221 0.119 . 1 . . . . 26 LYS CD . 16362 1 269 . 1 1 26 26 LYS CE C 13 41.935 0.059 . 1 . . . . 26 LYS CE . 16362 1 270 . 1 1 26 26 LYS CG C 13 24.677 0.069 . 1 . . . . 26 LYS CG . 16362 1 271 . 1 1 26 26 LYS N N 15 122.317 0.040 . 1 . . . . 26 LYS N . 16362 1 272 . 1 1 27 27 VAL H H 1 7.620 0.006 . 1 . . . . 27 VAL H . 16362 1 273 . 1 1 27 27 VAL HA H 1 4.453 0.008 . 1 . . . . 27 VAL HA . 16362 1 274 . 1 1 27 27 VAL HB H 1 2.051 0.004 . 1 . . . . 27 VAL HB . 16362 1 275 . 1 1 27 27 VAL HG11 H 1 0.966 0.006 . 2 . . . . 27 VAL HG1 . 16362 1 276 . 1 1 27 27 VAL HG12 H 1 0.966 0.006 . 2 . . . . 27 VAL HG1 . 16362 1 277 . 1 1 27 27 VAL HG13 H 1 0.966 0.006 . 2 . . . . 27 VAL HG1 . 16362 1 278 . 1 1 27 27 VAL HG21 H 1 0.985 0.005 . 2 . . . . 27 VAL HG2 . 16362 1 279 . 1 1 27 27 VAL HG22 H 1 0.985 0.005 . 2 . . . . 27 VAL HG2 . 16362 1 280 . 1 1 27 27 VAL HG23 H 1 0.985 0.005 . 2 . . . . 27 VAL HG2 . 16362 1 281 . 1 1 27 27 VAL CA C 13 60.693 0.062 . 1 . . . . 27 VAL CA . 16362 1 282 . 1 1 27 27 VAL CB C 13 33.956 0.045 . 1 . . . . 27 VAL CB . 16362 1 283 . 1 1 27 27 VAL CG1 C 13 20.720 0.000 . 2 . . . . 27 VAL CG1 . 16362 1 284 . 1 1 27 27 VAL CG2 C 13 21.444 0.047 . 2 . . . . 27 VAL CG2 . 16362 1 285 . 1 1 27 27 VAL N N 15 122.655 0.049 . 1 . . . . 27 VAL N . 16362 1 286 . 1 1 28 28 SER H H 1 8.447 0.006 . 1 . . . . 28 SER H . 16362 1 287 . 1 1 28 28 SER HA H 1 4.273 0.008 . 1 . . . . 28 SER HA . 16362 1 288 . 1 1 28 28 SER HB2 H 1 3.910 0.004 . 2 . . . . 28 SER HB2 . 16362 1 289 . 1 1 28 28 SER HB3 H 1 3.987 0.004 . 2 . . . . 28 SER HB3 . 16362 1 290 . 1 1 28 28 SER CA C 13 60.805 0.049 . 1 . . . . 28 SER CA . 16362 1 291 . 1 1 28 28 SER CB C 13 63.544 0.030 . 1 . . . . 28 SER CB . 16362 1 292 . 1 1 28 28 SER N N 15 118.080 0.052 . 1 . . . . 28 SER N . 16362 1 293 . 1 1 29 29 GLN H H 1 7.242 0.000 . 1 . . . . 29 GLN H . 16362 1 294 . 1 1 29 29 GLN HA H 1 4.477 0.000 . 1 . . . . 29 GLN HA . 16362 1 295 . 1 1 29 29 GLN HE21 H 1 6.461 0.003 . 2 . . . . 29 GLN HE21 . 16362 1 296 . 1 1 29 29 GLN HE22 H 1 7.188 0.000 . 2 . . . . 29 GLN HE22 . 16362 1 297 . 1 1 29 29 GLN N N 15 117.209 0.009 . 1 . . . . 29 GLN N . 16362 1 298 . 1 1 29 29 GLN NE2 N 15 111.168 0.005 . 1 . . . . 29 GLN NE2 . 16362 1 299 . 1 1 30 30 LYS HA H 1 4.919 0.011 . 1 . . . . 30 LYS HA . 16362 1 300 . 1 1 30 30 LYS HB2 H 1 1.753 0.005 . 2 . . . . 30 LYS HB2 . 16362 1 301 . 1 1 30 30 LYS HB3 H 1 2.137 0.000 . 2 . . . . 30 LYS HB3 . 16362 1 302 . 1 1 30 30 LYS CA C 13 54.593 0.069 . 1 . . . . 30 LYS CA . 16362 1 303 . 1 1 30 30 LYS CB C 13 34.998 0.065 . 1 . . . . 30 LYS CB . 16362 1 304 . 1 1 31 31 ILE H H 1 8.615 0.011 . 1 . . . . 31 ILE H . 16362 1 305 . 1 1 31 31 ILE HA H 1 5.274 0.006 . 1 . . . . 31 ILE HA . 16362 1 306 . 1 1 31 31 ILE HB H 1 1.299 0.002 . 1 . . . . 31 ILE HB . 16362 1 307 . 1 1 31 31 ILE HD11 H 1 0.298 0.002 . 1 . . . . 31 ILE HD1 . 16362 1 308 . 1 1 31 31 ILE HD12 H 1 0.298 0.002 . 1 . . . . 31 ILE HD1 . 16362 1 309 . 1 1 31 31 ILE HD13 H 1 0.298 0.002 . 1 . . . . 31 ILE HD1 . 16362 1 310 . 1 1 31 31 ILE HG12 H 1 0.292 0.009 . 2 . . . . 31 ILE HG12 . 16362 1 311 . 1 1 31 31 ILE HG13 H 1 0.983 0.012 . 2 . . . . 31 ILE HG13 . 16362 1 312 . 1 1 31 31 ILE HG21 H 1 -0.077 0.006 . 1 . . . . 31 ILE HG2 . 16362 1 313 . 1 1 31 31 ILE HG22 H 1 -0.077 0.006 . 1 . . . . 31 ILE HG2 . 16362 1 314 . 1 1 31 31 ILE HG23 H 1 -0.077 0.006 . 1 . . . . 31 ILE HG2 . 16362 1 315 . 1 1 31 31 ILE CA C 13 57.859 0.055 . 1 . . . . 31 ILE CA . 16362 1 316 . 1 1 31 31 ILE CB C 13 41.332 0.017 . 1 . . . . 31 ILE CB . 16362 1 317 . 1 1 31 31 ILE CD1 C 13 15.544 0.070 . 1 . . . . 31 ILE CD1 . 16362 1 318 . 1 1 31 31 ILE CG1 C 13 28.179 0.078 . 1 . . . . 31 ILE CG1 . 16362 1 319 . 1 1 31 31 ILE CG2 C 13 13.630 0.088 . 1 . . . . 31 ILE CG2 . 16362 1 320 . 1 1 31 31 ILE N N 15 116.259 0.040 . 1 . . . . 31 ILE N . 16362 1 321 . 1 1 32 32 ALA H H 1 7.978 0.013 . 1 . . . . 32 ALA H . 16362 1 322 . 1 1 32 32 ALA HA H 1 4.703 0.009 . 1 . . . . 32 ALA HA . 16362 1 323 . 1 1 32 32 ALA HB1 H 1 1.264 0.008 . 1 . . . . 32 ALA HB . 16362 1 324 . 1 1 32 32 ALA HB2 H 1 1.264 0.008 . 1 . . . . 32 ALA HB . 16362 1 325 . 1 1 32 32 ALA HB3 H 1 1.264 0.008 . 1 . . . . 32 ALA HB . 16362 1 326 . 1 1 32 32 ALA CA C 13 49.875 0.032 . 1 . . . . 32 ALA CA . 16362 1 327 . 1 1 32 32 ALA CB C 13 25.123 0.051 . 1 . . . . 32 ALA CB . 16362 1 328 . 1 1 32 32 ALA N N 15 127.966 0.037 . 1 . . . . 32 ALA N . 16362 1 329 . 1 1 33 33 VAL H H 1 8.679 0.016 . 1 . . . . 33 VAL H . 16362 1 330 . 1 1 33 33 VAL HA H 1 5.006 0.008 . 1 . . . . 33 VAL HA . 16362 1 331 . 1 1 33 33 VAL HB H 1 1.857 0.005 . 1 . . . . 33 VAL HB . 16362 1 332 . 1 1 33 33 VAL HG11 H 1 0.760 0.008 . 2 . . . . 33 VAL HG1 . 16362 1 333 . 1 1 33 33 VAL HG12 H 1 0.760 0.008 . 2 . . . . 33 VAL HG1 . 16362 1 334 . 1 1 33 33 VAL HG13 H 1 0.760 0.008 . 2 . . . . 33 VAL HG1 . 16362 1 335 . 1 1 33 33 VAL HG21 H 1 1.103 0.005 . 2 . . . . 33 VAL HG2 . 16362 1 336 . 1 1 33 33 VAL HG22 H 1 1.103 0.005 . 2 . . . . 33 VAL HG2 . 16362 1 337 . 1 1 33 33 VAL HG23 H 1 1.103 0.005 . 2 . . . . 33 VAL HG2 . 16362 1 338 . 1 1 33 33 VAL CA C 13 60.293 0.040 . 1 . . . . 33 VAL CA . 16362 1 339 . 1 1 33 33 VAL CB C 13 35.226 0.066 . 1 . . . . 33 VAL CB . 16362 1 340 . 1 1 33 33 VAL CG1 C 13 21.557 0.034 . 2 . . . . 33 VAL CG1 . 16362 1 341 . 1 1 33 33 VAL CG2 C 13 21.585 0.000 . 2 . . . . 33 VAL CG2 . 16362 1 342 . 1 1 33 33 VAL N N 15 122.183 0.022 . 1 . . . . 33 VAL N . 16362 1 343 . 1 1 34 34 GLY H H 1 9.065 0.012 . 1 . . . . 34 GLY H . 16362 1 344 . 1 1 34 34 GLY HA2 H 1 3.466 0.011 . 2 . . . . 34 GLY HA2 . 16362 1 345 . 1 1 34 34 GLY HA3 H 1 5.997 0.009 . 2 . . . . 34 GLY HA3 . 16362 1 346 . 1 1 34 34 GLY CA C 13 45.478 0.038 . 1 . . . . 34 GLY CA . 16362 1 347 . 1 1 34 34 GLY N N 15 113.319 0.030 . 1 . . . . 34 GLY N . 16362 1 348 . 1 1 35 35 ILE H H 1 8.523 0.013 . 1 . . . . 35 ILE H . 16362 1 349 . 1 1 35 35 ILE HA H 1 5.417 0.011 . 1 . . . . 35 ILE HA . 16362 1 350 . 1 1 35 35 ILE HB H 1 2.125 0.008 . 1 . . . . 35 ILE HB . 16362 1 351 . 1 1 35 35 ILE HD11 H 1 1.159 0.004 . 1 . . . . 35 ILE HD1 . 16362 1 352 . 1 1 35 35 ILE HD12 H 1 1.159 0.004 . 1 . . . . 35 ILE HD1 . 16362 1 353 . 1 1 35 35 ILE HD13 H 1 1.159 0.004 . 1 . . . . 35 ILE HD1 . 16362 1 354 . 1 1 35 35 ILE HG12 H 1 1.748 0.004 . 1 . . . . 35 ILE HG12 . 16362 1 355 . 1 1 35 35 ILE HG13 H 1 1.748 0.004 . 1 . . . . 35 ILE HG13 . 16362 1 356 . 1 1 35 35 ILE HG21 H 1 1.105 0.002 . 1 . . . . 35 ILE HG2 . 16362 1 357 . 1 1 35 35 ILE HG22 H 1 1.105 0.002 . 1 . . . . 35 ILE HG2 . 16362 1 358 . 1 1 35 35 ILE HG23 H 1 1.105 0.002 . 1 . . . . 35 ILE HG2 . 16362 1 359 . 1 1 35 35 ILE CA C 13 59.587 0.019 . 1 . . . . 35 ILE CA . 16362 1 360 . 1 1 35 35 ILE CB C 13 39.991 0.095 . 1 . . . . 35 ILE CB . 16362 1 361 . 1 1 35 35 ILE CD1 C 13 14.631 0.043 . 1 . . . . 35 ILE CD1 . 16362 1 362 . 1 1 35 35 ILE CG1 C 13 26.743 0.043 . 1 . . . . 35 ILE CG1 . 16362 1 363 . 1 1 35 35 ILE CG2 C 13 17.290 0.047 . 1 . . . . 35 ILE CG2 . 16362 1 364 . 1 1 35 35 ILE N N 15 121.753 0.044 . 1 . . . . 35 ILE N . 16362 1 365 . 1 1 36 36 ASP H H 1 9.426 0.012 . 1 . . . . 36 ASP H . 16362 1 366 . 1 1 36 36 ASP HA H 1 4.559 0.010 . 1 . . . . 36 ASP HA . 16362 1 367 . 1 1 36 36 ASP HB2 H 1 2.673 0.004 . 2 . . . . 36 ASP HB2 . 16362 1 368 . 1 1 36 36 ASP HB3 H 1 2.986 0.004 . 2 . . . . 36 ASP HB3 . 16362 1 369 . 1 1 36 36 ASP CA C 13 53.246 0.074 . 1 . . . . 36 ASP CA . 16362 1 370 . 1 1 36 36 ASP CB C 13 41.706 0.012 . 1 . . . . 36 ASP CB . 16362 1 371 . 1 1 36 36 ASP N N 15 126.291 0.029 . 1 . . . . 36 ASP N . 16362 1 372 . 1 1 37 37 ASN H H 1 8.778 0.013 . 1 . . . . 37 ASN H . 16362 1 373 . 1 1 37 37 ASN HA H 1 4.491 0.009 . 1 . . . . 37 ASN HA . 16362 1 374 . 1 1 37 37 ASN HB2 H 1 3.054 0.005 . 1 . . . . 37 ASN HB2 . 16362 1 375 . 1 1 37 37 ASN HB3 H 1 3.054 0.005 . 1 . . . . 37 ASN HB3 . 16362 1 376 . 1 1 37 37 ASN HD21 H 1 6.200 0.002 . 2 . . . . 37 ASN HD21 . 16362 1 377 . 1 1 37 37 ASN HD22 H 1 7.127 0.002 . 2 . . . . 37 ASN HD22 . 16362 1 378 . 1 1 37 37 ASN CA C 13 52.965 0.057 . 1 . . . . 37 ASN CA . 16362 1 379 . 1 1 37 37 ASN CB C 13 36.168 0.044 . 1 . . . . 37 ASN CB . 16362 1 380 . 1 1 37 37 ASN N N 15 125.851 0.029 . 1 . . . . 37 ASN N . 16362 1 381 . 1 1 37 37 ASN ND2 N 15 106.016 0.031 . 1 . . . . 37 ASN ND2 . 16362 1 382 . 1 1 38 38 GLU H H 1 8.473 0.010 . 1 . . . . 38 GLU H . 16362 1 383 . 1 1 38 38 GLU HA H 1 5.022 0.007 . 1 . . . . 38 GLU HA . 16362 1 384 . 1 1 38 38 GLU HB2 H 1 2.540 0.006 . 1 . . . . 38 GLU HB2 . 16362 1 385 . 1 1 38 38 GLU HB3 H 1 2.540 0.006 . 1 . . . . 38 GLU HB3 . 16362 1 386 . 1 1 38 38 GLU HG2 H 1 2.335 0.006 . 1 . . . . 38 GLU HG2 . 16362 1 387 . 1 1 38 38 GLU HG3 H 1 2.335 0.006 . 1 . . . . 38 GLU HG3 . 16362 1 388 . 1 1 38 38 GLU CA C 13 53.003 0.041 . 1 . . . . 38 GLU CA . 16362 1 389 . 1 1 38 38 GLU CB C 13 26.286 0.064 . 1 . . . . 38 GLU CB . 16362 1 390 . 1 1 38 38 GLU CG C 13 31.959 0.042 . 1 . . . . 38 GLU CG . 16362 1 391 . 1 1 38 38 GLU N N 15 125.641 0.064 . 1 . . . . 38 GLU N . 16362 1 392 . 1 1 39 39 SER H H 1 8.933 0.017 . 1 . . . . 39 SER H . 16362 1 393 . 1 1 39 39 SER HA H 1 4.091 0.007 . 1 . . . . 39 SER HA . 16362 1 394 . 1 1 39 39 SER HB2 H 1 4.105 0.006 . 2 . . . . 39 SER HB2 . 16362 1 395 . 1 1 39 39 SER HB3 H 1 4.432 0.007 . 2 . . . . 39 SER HB3 . 16362 1 396 . 1 1 39 39 SER CA C 13 60.358 0.060 . 1 . . . . 39 SER CA . 16362 1 397 . 1 1 39 39 SER CB C 13 66.091 0.067 . 1 . . . . 39 SER CB . 16362 1 398 . 1 1 39 39 SER N N 15 114.807 0.016 . 1 . . . . 39 SER N . 16362 1 399 . 1 1 40 40 GLY H H 1 8.466 0.006 . 1 . . . . 40 GLY H . 16362 1 400 . 1 1 40 40 GLY HA2 H 1 3.511 0.007 . 2 . . . . 40 GLY HA2 . 16362 1 401 . 1 1 40 40 GLY HA3 H 1 4.523 0.007 . 2 . . . . 40 GLY HA3 . 16362 1 402 . 1 1 40 40 GLY CA C 13 45.128 0.051 . 1 . . . . 40 GLY CA . 16362 1 403 . 1 1 40 40 GLY N N 15 111.638 0.082 . 1 . . . . 40 GLY N . 16362 1 404 . 1 1 41 41 GLY H H 1 7.469 0.006 . 1 . . . . 41 GLY H . 16362 1 405 . 1 1 41 41 GLY HA2 H 1 4.072 0.010 . 2 . . . . 41 GLY HA2 . 16362 1 406 . 1 1 41 41 GLY HA3 H 1 4.556 0.020 . 2 . . . . 41 GLY HA3 . 16362 1 407 . 1 1 41 41 GLY CA C 13 44.448 0.078 . 1 . . . . 41 GLY CA . 16362 1 408 . 1 1 41 41 GLY N N 15 106.108 0.023 . 1 . . . . 41 GLY N . 16362 1 409 . 1 1 42 42 THR H H 1 8.756 0.004 . 1 . . . . 42 THR H . 16362 1 410 . 1 1 42 42 THR HA H 1 4.305 0.008 . 1 . . . . 42 THR HA . 16362 1 411 . 1 1 42 42 THR HB H 1 4.077 0.006 . 1 . . . . 42 THR HB . 16362 1 412 . 1 1 42 42 THR HG21 H 1 1.236 0.006 . 1 . . . . 42 THR HG2 . 16362 1 413 . 1 1 42 42 THR HG22 H 1 1.236 0.006 . 1 . . . . 42 THR HG2 . 16362 1 414 . 1 1 42 42 THR HG23 H 1 1.236 0.006 . 1 . . . . 42 THR HG2 . 16362 1 415 . 1 1 42 42 THR CA C 13 62.794 0.054 . 1 . . . . 42 THR CA . 16362 1 416 . 1 1 42 42 THR CB C 13 70.039 0.098 . 1 . . . . 42 THR CB . 16362 1 417 . 1 1 42 42 THR CG2 C 13 23.017 0.072 . 1 . . . . 42 THR CG2 . 16362 1 418 . 1 1 42 42 THR N N 15 116.951 0.077 . 1 . . . . 42 THR N . 16362 1 419 . 1 1 43 43 TRP H H 1 8.107 0.016 . 1 . . . . 43 TRP H . 16362 1 420 . 1 1 43 43 TRP HA H 1 5.960 0.006 . 1 . . . . 43 TRP HA . 16362 1 421 . 1 1 43 43 TRP HB2 H 1 3.251 0.008 . 2 . . . . 43 TRP HB2 . 16362 1 422 . 1 1 43 43 TRP HB3 H 1 3.332 0.006 . 2 . . . . 43 TRP HB3 . 16362 1 423 . 1 1 43 43 TRP HD1 H 1 7.096 0.005 . 1 . . . . 43 TRP HD1 . 16362 1 424 . 1 1 43 43 TRP HE1 H 1 8.822 0.007 . 1 . . . . 43 TRP HE1 . 16362 1 425 . 1 1 43 43 TRP HE3 H 1 6.521 0.002 . 1 . . . . 43 TRP HE3 . 16362 1 426 . 1 1 43 43 TRP HH2 H 1 6.916 0.004 . 1 . . . . 43 TRP HH2 . 16362 1 427 . 1 1 43 43 TRP HZ2 H 1 7.058 0.002 . 1 . . . . 43 TRP HZ2 . 16362 1 428 . 1 1 43 43 TRP HZ3 H 1 6.921 0.002 . 1 . . . . 43 TRP HZ3 . 16362 1 429 . 1 1 43 43 TRP CA C 13 52.690 0.083 . 1 . . . . 43 TRP CA . 16362 1 430 . 1 1 43 43 TRP CB C 13 32.869 0.088 . 1 . . . . 43 TRP CB . 16362 1 431 . 1 1 43 43 TRP N N 15 126.373 0.035 . 1 . . . . 43 TRP N . 16362 1 432 . 1 1 43 43 TRP NE1 N 15 125.500 0.000 . 1 . . . . 43 TRP NE1 . 16362 1 433 . 1 1 44 44 THR H H 1 9.636 0.012 . 1 . . . . 44 THR H . 16362 1 434 . 1 1 44 44 THR HA H 1 5.688 0.008 . 1 . . . . 44 THR HA . 16362 1 435 . 1 1 44 44 THR HB H 1 4.265 0.005 . 1 . . . . 44 THR HB . 16362 1 436 . 1 1 44 44 THR HG21 H 1 1.459 0.008 . 1 . . . . 44 THR HG2 . 16362 1 437 . 1 1 44 44 THR HG22 H 1 1.459 0.008 . 1 . . . . 44 THR HG2 . 16362 1 438 . 1 1 44 44 THR HG23 H 1 1.459 0.008 . 1 . . . . 44 THR HG2 . 16362 1 439 . 1 1 44 44 THR CA C 13 60.912 0.043 . 1 . . . . 44 THR CA . 16362 1 440 . 1 1 44 44 THR CB C 13 71.494 0.068 . 1 . . . . 44 THR CB . 16362 1 441 . 1 1 44 44 THR CG2 C 13 21.223 0.104 . 1 . . . . 44 THR CG2 . 16362 1 442 . 1 1 44 44 THR N N 15 118.207 0.027 . 1 . . . . 44 THR N . 16362 1 443 . 1 1 45 45 ALA H H 1 9.400 0.028 . 1 . . . . 45 ALA H . 16362 1 444 . 1 1 45 45 ALA HA H 1 3.012 0.006 . 1 . . . . 45 ALA HA . 16362 1 445 . 1 1 45 45 ALA HB1 H 1 1.147 0.007 . 1 . . . . 45 ALA HB . 16362 1 446 . 1 1 45 45 ALA HB2 H 1 1.147 0.007 . 1 . . . . 45 ALA HB . 16362 1 447 . 1 1 45 45 ALA HB3 H 1 1.147 0.007 . 1 . . . . 45 ALA HB . 16362 1 448 . 1 1 45 45 ALA CA C 13 54.542 0.028 . 1 . . . . 45 ALA CA . 16362 1 449 . 1 1 45 45 ALA CB C 13 19.517 0.048 . 1 . . . . 45 ALA CB . 16362 1 450 . 1 1 45 45 ALA N N 15 131.392 0.035 . 1 . . . . 45 ALA N . 16362 1 451 . 1 1 46 46 LEU H H 1 7.852 0.018 . 1 . . . . 46 LEU H . 16362 1 452 . 1 1 46 46 LEU HA H 1 4.630 0.018 . 1 . . . . 46 LEU HA . 16362 1 453 . 1 1 46 46 LEU HB2 H 1 1.304 0.003 . 2 . . . . 46 LEU HB2 . 16362 1 454 . 1 1 46 46 LEU HB3 H 1 1.730 0.015 . 2 . . . . 46 LEU HB3 . 16362 1 455 . 1 1 46 46 LEU HD11 H 1 0.677 0.010 . 1 . . . . 46 LEU HD1 . 16362 1 456 . 1 1 46 46 LEU HD12 H 1 0.677 0.010 . 1 . . . . 46 LEU HD1 . 16362 1 457 . 1 1 46 46 LEU HD13 H 1 0.677 0.010 . 1 . . . . 46 LEU HD1 . 16362 1 458 . 1 1 46 46 LEU HD21 H 1 0.677 0.010 . 1 . . . . 46 LEU HD2 . 16362 1 459 . 1 1 46 46 LEU HD22 H 1 0.677 0.010 . 1 . . . . 46 LEU HD2 . 16362 1 460 . 1 1 46 46 LEU HD23 H 1 0.677 0.010 . 1 . . . . 46 LEU HD2 . 16362 1 461 . 1 1 46 46 LEU HG H 1 1.324 0.003 . 1 . . . . 46 LEU HG . 16362 1 462 . 1 1 46 46 LEU N N 15 120.909 0.042 . 1 . . . . 46 LEU N . 16362 1 463 . 1 1 47 47 ASN H H 1 7.499 0.011 . 1 . . . . 47 ASN H . 16362 1 464 . 1 1 47 47 ASN HA H 1 4.701 0.010 . 1 . . . . 47 ASN HA . 16362 1 465 . 1 1 47 47 ASN HB2 H 1 2.834 0.010 . 2 . . . . 47 ASN HB2 . 16362 1 466 . 1 1 47 47 ASN HB3 H 1 3.039 0.006 . 2 . . . . 47 ASN HB3 . 16362 1 467 . 1 1 47 47 ASN HD21 H 1 7.295 0.014 . 2 . . . . 47 ASN HD21 . 16362 1 468 . 1 1 47 47 ASN HD22 H 1 8.079 0.009 . 2 . . . . 47 ASN HD22 . 16362 1 469 . 1 1 47 47 ASN CA C 13 53.060 0.029 . 1 . . . . 47 ASN CA . 16362 1 470 . 1 1 47 47 ASN CB C 13 39.426 0.064 . 1 . . . . 47 ASN CB . 16362 1 471 . 1 1 47 47 ASN N N 15 114.382 0.032 . 1 . . . . 47 ASN N . 16362 1 472 . 1 1 47 47 ASN ND2 N 15 115.338 0.060 . 1 . . . . 47 ASN ND2 . 16362 1 473 . 1 1 48 48 ALA H H 1 8.733 0.005 . 1 . . . . 48 ALA H . 16362 1 474 . 1 1 48 48 ALA HA H 1 5.027 0.005 . 1 . . . . 48 ALA HA . 16362 1 475 . 1 1 48 48 ALA HB1 H 1 1.580 0.007 . 1 . . . . 48 ALA HB . 16362 1 476 . 1 1 48 48 ALA HB2 H 1 1.580 0.007 . 1 . . . . 48 ALA HB . 16362 1 477 . 1 1 48 48 ALA HB3 H 1 1.580 0.007 . 1 . . . . 48 ALA HB . 16362 1 478 . 1 1 48 48 ALA CA C 13 50.964 0.062 . 1 . . . . 48 ALA CA . 16362 1 479 . 1 1 48 48 ALA CB C 13 23.303 0.077 . 1 . . . . 48 ALA CB . 16362 1 480 . 1 1 48 48 ALA N N 15 120.522 0.044 . 1 . . . . 48 ALA N . 16362 1 481 . 1 1 49 49 TYR H H 1 9.558 0.014 . 1 . . . . 49 TYR H . 16362 1 482 . 1 1 49 49 TYR HA H 1 4.902 0.004 . 1 . . . . 49 TYR HA . 16362 1 483 . 1 1 49 49 TYR HB2 H 1 2.625 0.003 . 2 . . . . 49 TYR HB2 . 16362 1 484 . 1 1 49 49 TYR HB3 H 1 2.698 0.005 . 2 . . . . 49 TYR HB3 . 16362 1 485 . 1 1 49 49 TYR HD1 H 1 6.904 0.003 . 1 . . . . 49 TYR HD1 . 16362 1 486 . 1 1 49 49 TYR HD2 H 1 6.904 0.003 . 1 . . . . 49 TYR HD2 . 16362 1 487 . 1 1 49 49 TYR HE1 H 1 6.545 0.003 . 1 . . . . 49 TYR HE1 . 16362 1 488 . 1 1 49 49 TYR HE2 H 1 6.545 0.003 . 1 . . . . 49 TYR HE2 . 16362 1 489 . 1 1 49 49 TYR CA C 13 56.300 0.061 . 1 . . . . 49 TYR CA . 16362 1 490 . 1 1 49 49 TYR CB C 13 40.083 0.051 . 1 . . . . 49 TYR CB . 16362 1 491 . 1 1 49 49 TYR N N 15 125.051 0.029 . 1 . . . . 49 TYR N . 16362 1 492 . 1 1 50 50 PHE H H 1 8.606 0.004 . 1 . . . . 50 PHE H . 16362 1 493 . 1 1 50 50 PHE HA H 1 4.349 0.004 . 1 . . . . 50 PHE HA . 16362 1 494 . 1 1 50 50 PHE HB2 H 1 2.411 0.011 . 2 . . . . 50 PHE HB2 . 16362 1 495 . 1 1 50 50 PHE HB3 H 1 2.793 0.006 . 2 . . . . 50 PHE HB3 . 16362 1 496 . 1 1 50 50 PHE HD1 H 1 7.185 0.004 . 1 . . . . 50 PHE HD1 . 16362 1 497 . 1 1 50 50 PHE HD2 H 1 7.185 0.004 . 1 . . . . 50 PHE HD2 . 16362 1 498 . 1 1 50 50 PHE HE1 H 1 7.327 0.004 . 1 . . . . 50 PHE HE1 . 16362 1 499 . 1 1 50 50 PHE HE2 H 1 7.327 0.004 . 1 . . . . 50 PHE HE2 . 16362 1 500 . 1 1 50 50 PHE CA C 13 56.895 0.037 . 1 . . . . 50 PHE CA . 16362 1 501 . 1 1 50 50 PHE N N 15 126.904 0.034 . 1 . . . . 50 PHE N . 16362 1 502 . 1 1 51 51 ARG H H 1 7.951 0.008 . 1 . . . . 51 ARG H . 16362 1 503 . 1 1 51 51 ARG HA H 1 3.765 0.006 . 1 . . . . 51 ARG HA . 16362 1 504 . 1 1 51 51 ARG HB2 H 1 0.863 0.005 . 2 . . . . 51 ARG HB2 . 16362 1 505 . 1 1 51 51 ARG HB3 H 1 1.019 0.008 . 2 . . . . 51 ARG HB3 . 16362 1 506 . 1 1 51 51 ARG HD2 H 1 2.580 0.004 . 2 . . . . 51 ARG HD2 . 16362 1 507 . 1 1 51 51 ARG HD3 H 1 2.753 0.003 . 2 . . . . 51 ARG HD3 . 16362 1 508 . 1 1 51 51 ARG HG2 H 1 1.177 0.002 . 2 . . . . 51 ARG HG2 . 16362 1 509 . 1 1 51 51 ARG HG3 H 1 1.237 0.005 . 2 . . . . 51 ARG HG3 . 16362 1 510 . 1 1 51 51 ARG CA C 13 56.362 0.070 . 1 . . . . 51 ARG CA . 16362 1 511 . 1 1 51 51 ARG CB C 13 30.678 0.040 . 1 . . . . 51 ARG CB . 16362 1 512 . 1 1 51 51 ARG CD C 13 42.720 0.062 . 1 . . . . 51 ARG CD . 16362 1 513 . 1 1 51 51 ARG CG C 13 26.150 0.060 . 1 . . . . 51 ARG CG . 16362 1 514 . 1 1 51 51 ARG N N 15 127.299 0.027 . 1 . . . . 51 ARG N . 16362 1 515 . 1 1 52 52 SER H H 1 8.029 0.005 . 1 . . . . 52 SER H . 16362 1 516 . 1 1 52 52 SER HA H 1 4.702 0.011 . 1 . . . . 52 SER HA . 16362 1 517 . 1 1 52 52 SER HB2 H 1 3.433 0.009 . 2 . . . . 52 SER HB2 . 16362 1 518 . 1 1 52 52 SER HB3 H 1 3.728 0.007 . 2 . . . . 52 SER HB3 . 16362 1 519 . 1 1 52 52 SER CA C 13 57.998 0.057 . 1 . . . . 52 SER CA . 16362 1 520 . 1 1 52 52 SER CB C 13 65.896 0.067 . 1 . . . . 52 SER CB . 16362 1 521 . 1 1 52 52 SER N N 15 112.320 0.037 . 1 . . . . 52 SER N . 16362 1 522 . 1 1 53 53 GLY H H 1 8.636 0.013 . 1 . . . . 53 GLY H . 16362 1 523 . 1 1 53 53 GLY HA2 H 1 3.765 0.012 . 2 . . . . 53 GLY HA2 . 16362 1 524 . 1 1 53 53 GLY HA3 H 1 4.844 0.010 . 2 . . . . 53 GLY HA3 . 16362 1 525 . 1 1 53 53 GLY CA C 13 45.003 0.059 . 1 . . . . 53 GLY CA . 16362 1 526 . 1 1 53 53 GLY N N 15 112.928 0.029 . 1 . . . . 53 GLY N . 16362 1 527 . 1 1 54 54 THR H H 1 8.987 0.014 . 1 . . . . 54 THR H . 16362 1 528 . 1 1 54 54 THR HA H 1 3.507 0.013 . 1 . . . . 54 THR HA . 16362 1 529 . 1 1 54 54 THR HB H 1 3.921 0.009 . 1 . . . . 54 THR HB . 16362 1 530 . 1 1 54 54 THR HG21 H 1 0.800 0.008 . 1 . . . . 54 THR HG2 . 16362 1 531 . 1 1 54 54 THR HG22 H 1 0.800 0.008 . 1 . . . . 54 THR HG2 . 16362 1 532 . 1 1 54 54 THR HG23 H 1 0.800 0.008 . 1 . . . . 54 THR HG2 . 16362 1 533 . 1 1 54 54 THR CA C 13 59.069 0.070 . 1 . . . . 54 THR CA . 16362 1 534 . 1 1 54 54 THR CB C 13 68.620 0.029 . 1 . . . . 54 THR CB . 16362 1 535 . 1 1 54 54 THR CG2 C 13 17.944 0.023 . 1 . . . . 54 THR CG2 . 16362 1 536 . 1 1 54 54 THR N N 15 111.776 0.039 . 1 . . . . 54 THR N . 16362 1 537 . 1 1 55 55 THR H H 1 7.687 0.010 . 1 . . . . 55 THR H . 16362 1 538 . 1 1 55 55 THR HA H 1 4.519 0.009 . 1 . . . . 55 THR HA . 16362 1 539 . 1 1 55 55 THR HB H 1 4.134 0.007 . 1 . . . . 55 THR HB . 16362 1 540 . 1 1 55 55 THR HG21 H 1 1.101 0.008 . 1 . . . . 55 THR HG2 . 16362 1 541 . 1 1 55 55 THR HG22 H 1 1.101 0.008 . 1 . . . . 55 THR HG2 . 16362 1 542 . 1 1 55 55 THR HG23 H 1 1.101 0.008 . 1 . . . . 55 THR HG2 . 16362 1 543 . 1 1 55 55 THR CA C 13 58.953 0.033 . 1 . . . . 55 THR CA . 16362 1 544 . 1 1 55 55 THR CB C 13 68.648 0.070 . 1 . . . . 55 THR CB . 16362 1 545 . 1 1 55 55 THR CG2 C 13 19.707 0.000 . 1 . . . . 55 THR CG2 . 16362 1 546 . 1 1 55 55 THR N N 15 112.790 0.023 . 1 . . . . 55 THR N . 16362 1 547 . 1 1 56 56 ASP H H 1 8.873 0.011 . 1 . . . . 56 ASP H . 16362 1 548 . 1 1 56 56 ASP HA H 1 4.911 0.003 . 1 . . . . 56 ASP HA . 16362 1 549 . 1 1 56 56 ASP HB2 H 1 2.436 0.002 . 2 . . . . 56 ASP HB2 . 16362 1 550 . 1 1 56 56 ASP HB3 H 1 2.873 0.025 . 2 . . . . 56 ASP HB3 . 16362 1 551 . 1 1 56 56 ASP CA C 13 53.793 0.074 . 1 . . . . 56 ASP CA . 16362 1 552 . 1 1 56 56 ASP CB C 13 42.716 0.077 . 1 . . . . 56 ASP CB . 16362 1 553 . 1 1 56 56 ASP N N 15 124.069 0.073 . 1 . . . . 56 ASP N . 16362 1 554 . 1 1 57 57 VAL H H 1 7.953 0.014 . 1 . . . . 57 VAL H . 16362 1 555 . 1 1 57 57 VAL HA H 1 4.773 0.011 . 1 . . . . 57 VAL HA . 16362 1 556 . 1 1 57 57 VAL HB H 1 2.231 0.007 . 1 . . . . 57 VAL HB . 16362 1 557 . 1 1 57 57 VAL HG11 H 1 0.755 0.004 . 2 . . . . 57 VAL HG1 . 16362 1 558 . 1 1 57 57 VAL HG12 H 1 0.755 0.004 . 2 . . . . 57 VAL HG1 . 16362 1 559 . 1 1 57 57 VAL HG13 H 1 0.755 0.004 . 2 . . . . 57 VAL HG1 . 16362 1 560 . 1 1 57 57 VAL HG21 H 1 0.776 0.004 . 2 . . . . 57 VAL HG2 . 16362 1 561 . 1 1 57 57 VAL HG22 H 1 0.776 0.004 . 2 . . . . 57 VAL HG2 . 16362 1 562 . 1 1 57 57 VAL HG23 H 1 0.776 0.004 . 2 . . . . 57 VAL HG2 . 16362 1 563 . 1 1 57 57 VAL CA C 13 59.555 0.071 . 1 . . . . 57 VAL CA . 16362 1 564 . 1 1 57 57 VAL CB C 13 34.769 0.070 . 1 . . . . 57 VAL CB . 16362 1 565 . 1 1 57 57 VAL CG1 C 13 18.595 0.010 . 2 . . . . 57 VAL CG1 . 16362 1 566 . 1 1 57 57 VAL CG2 C 13 21.090 0.039 . 2 . . . . 57 VAL CG2 . 16362 1 567 . 1 1 57 57 VAL N N 15 114.160 0.023 . 1 . . . . 57 VAL N . 16362 1 568 . 1 1 58 58 ILE H H 1 8.182 0.003 . 1 . . . . 58 ILE H . 16362 1 569 . 1 1 58 58 ILE HA H 1 4.386 0.008 . 1 . . . . 58 ILE HA . 16362 1 570 . 1 1 58 58 ILE HB H 1 1.884 0.004 . 1 . . . . 58 ILE HB . 16362 1 571 . 1 1 58 58 ILE HD11 H 1 0.941 0.006 . 1 . . . . 58 ILE HD1 . 16362 1 572 . 1 1 58 58 ILE HD12 H 1 0.941 0.006 . 1 . . . . 58 ILE HD1 . 16362 1 573 . 1 1 58 58 ILE HD13 H 1 0.941 0.006 . 1 . . . . 58 ILE HD1 . 16362 1 574 . 1 1 58 58 ILE HG12 H 1 1.255 0.004 . 2 . . . . 58 ILE HG12 . 16362 1 575 . 1 1 58 58 ILE HG13 H 1 1.507 0.004 . 2 . . . . 58 ILE HG13 . 16362 1 576 . 1 1 58 58 ILE HG21 H 1 1.045 0.004 . 1 . . . . 58 ILE HG2 . 16362 1 577 . 1 1 58 58 ILE HG22 H 1 1.045 0.004 . 1 . . . . 58 ILE HG2 . 16362 1 578 . 1 1 58 58 ILE HG23 H 1 1.045 0.004 . 1 . . . . 58 ILE HG2 . 16362 1 579 . 1 1 58 58 ILE CA C 13 59.789 0.063 . 1 . . . . 58 ILE CA . 16362 1 580 . 1 1 58 58 ILE CB C 13 39.505 0.099 . 1 . . . . 58 ILE CB . 16362 1 581 . 1 1 58 58 ILE CD1 C 13 12.860 0.082 . 1 . . . . 58 ILE CD1 . 16362 1 582 . 1 1 58 58 ILE CG1 C 13 27.128 0.067 . 1 . . . . 58 ILE CG1 . 16362 1 583 . 1 1 58 58 ILE CG2 C 13 17.385 0.029 . 1 . . . . 58 ILE CG2 . 16362 1 584 . 1 1 58 58 ILE N N 15 120.467 0.059 . 1 . . . . 58 ILE N . 16362 1 585 . 1 1 59 59 LEU H H 1 7.969 0.038 . 1 . . . . 59 LEU H . 16362 1 586 . 1 1 59 59 LEU HA H 1 4.050 0.005 . 1 . . . . 59 LEU HA . 16362 1 587 . 1 1 59 59 LEU HB2 H 1 1.223 0.004 . 2 . . . . 59 LEU HB2 . 16362 1 588 . 1 1 59 59 LEU HB3 H 1 1.391 0.013 . 2 . . . . 59 LEU HB3 . 16362 1 589 . 1 1 59 59 LEU HD11 H 1 -0.122 0.002 . 2 . . . . 59 LEU HD1 . 16362 1 590 . 1 1 59 59 LEU HD12 H 1 -0.122 0.002 . 2 . . . . 59 LEU HD1 . 16362 1 591 . 1 1 59 59 LEU HD13 H 1 -0.122 0.002 . 2 . . . . 59 LEU HD1 . 16362 1 592 . 1 1 59 59 LEU HD21 H 1 0.271 0.004 . 2 . . . . 59 LEU HD2 . 16362 1 593 . 1 1 59 59 LEU HD22 H 1 0.271 0.004 . 2 . . . . 59 LEU HD2 . 16362 1 594 . 1 1 59 59 LEU HD23 H 1 0.271 0.004 . 2 . . . . 59 LEU HD2 . 16362 1 595 . 1 1 59 59 LEU HG H 1 1.322 0.002 . 1 . . . . 59 LEU HG . 16362 1 596 . 1 1 59 59 LEU N N 15 126.914 0.039 . 1 . . . . 59 LEU N . 16362 1 597 . 1 1 60 60 PRO HA H 1 4.291 0.004 . 1 . . . . 60 PRO HA . 16362 1 598 . 1 1 60 60 PRO HB2 H 1 1.775 0.007 . 2 . . . . 60 PRO HB2 . 16362 1 599 . 1 1 60 60 PRO HB3 H 1 2.280 0.004 . 2 . . . . 60 PRO HB3 . 16362 1 600 . 1 1 60 60 PRO HD2 H 1 3.700 0.004 . 1 . . . . 60 PRO HD2 . 16362 1 601 . 1 1 60 60 PRO HD3 H 1 3.700 0.004 . 1 . . . . 60 PRO HD3 . 16362 1 602 . 1 1 60 60 PRO HG2 H 1 2.177 0.004 . 2 . . . . 60 PRO HG2 . 16362 1 603 . 1 1 60 60 PRO HG3 H 1 1.891 0.002 . 2 . . . . 60 PRO HG3 . 16362 1 604 . 1 1 60 60 PRO CA C 13 63.555 0.039 . 1 . . . . 60 PRO CA . 16362 1 605 . 1 1 60 60 PRO CB C 13 31.660 0.077 . 1 . . . . 60 PRO CB . 16362 1 606 . 1 1 60 60 PRO CD C 13 49.582 0.043 . 1 . . . . 60 PRO CD . 16362 1 607 . 1 1 60 60 PRO CG C 13 28.331 0.089 . 1 . . . . 60 PRO CG . 16362 1 608 . 1 1 61 61 GLU H H 1 8.712 0.006 . 1 . . . . 61 GLU H . 16362 1 609 . 1 1 61 61 GLU HA H 1 3.875 0.008 . 1 . . . . 61 GLU HA . 16362 1 610 . 1 1 61 61 GLU HB2 H 1 1.831 0.008 . 2 . . . . 61 GLU HB2 . 16362 1 611 . 1 1 61 61 GLU HB3 H 1 2.115 0.007 . 2 . . . . 61 GLU HB3 . 16362 1 612 . 1 1 61 61 GLU HG2 H 1 1.860 0.007 . 2 . . . . 61 GLU HG2 . 16362 1 613 . 1 1 61 61 GLU HG3 H 1 2.056 0.005 . 2 . . . . 61 GLU HG3 . 16362 1 614 . 1 1 61 61 GLU CA C 13 60.044 0.080 . 1 . . . . 61 GLU CA . 16362 1 615 . 1 1 61 61 GLU CB C 13 28.756 0.084 . 1 . . . . 61 GLU CB . 16362 1 616 . 1 1 61 61 GLU CG C 13 32.294 0.066 . 1 . . . . 61 GLU CG . 16362 1 617 . 1 1 61 61 GLU N N 15 125.484 0.040 . 1 . . . . 61 GLU N . 16362 1 618 . 1 1 62 62 PHE H H 1 7.772 0.012 . 1 . . . . 62 PHE H . 16362 1 619 . 1 1 62 62 PHE HA H 1 5.920 0.011 . 1 . . . . 62 PHE HA . 16362 1 620 . 1 1 62 62 PHE HB2 H 1 2.950 0.005 . 2 . . . . 62 PHE HB2 . 16362 1 621 . 1 1 62 62 PHE HB3 H 1 3.058 0.009 . 2 . . . . 62 PHE HB3 . 16362 1 622 . 1 1 62 62 PHE HD1 H 1 7.401 0.007 . 1 . . . . 62 PHE HD1 . 16362 1 623 . 1 1 62 62 PHE HD2 H 1 7.401 0.007 . 1 . . . . 62 PHE HD2 . 16362 1 624 . 1 1 62 62 PHE HE1 H 1 7.455 0.001 . 1 . . . . 62 PHE HE1 . 16362 1 625 . 1 1 62 62 PHE HE2 H 1 7.455 0.001 . 1 . . . . 62 PHE HE2 . 16362 1 626 . 1 1 62 62 PHE CA C 13 55.453 0.082 . 1 . . . . 62 PHE CA . 16362 1 627 . 1 1 62 62 PHE CB C 13 42.479 0.024 . 1 . . . . 62 PHE CB . 16362 1 628 . 1 1 62 62 PHE N N 15 112.695 0.049 . 1 . . . . 62 PHE N . 16362 1 629 . 1 1 63 63 VAL H H 1 9.127 0.017 . 1 . . . . 63 VAL H . 16362 1 630 . 1 1 63 63 VAL HA H 1 4.507 0.008 . 1 . . . . 63 VAL HA . 16362 1 631 . 1 1 63 63 VAL HB H 1 2.030 0.011 . 1 . . . . 63 VAL HB . 16362 1 632 . 1 1 63 63 VAL HG11 H 1 0.603 0.006 . 2 . . . . 63 VAL HG1 . 16362 1 633 . 1 1 63 63 VAL HG12 H 1 0.603 0.006 . 2 . . . . 63 VAL HG1 . 16362 1 634 . 1 1 63 63 VAL HG13 H 1 0.603 0.006 . 2 . . . . 63 VAL HG1 . 16362 1 635 . 1 1 63 63 VAL HG21 H 1 0.859 0.003 . 2 . . . . 63 VAL HG2 . 16362 1 636 . 1 1 63 63 VAL HG22 H 1 0.859 0.003 . 2 . . . . 63 VAL HG2 . 16362 1 637 . 1 1 63 63 VAL HG23 H 1 0.859 0.003 . 2 . . . . 63 VAL HG2 . 16362 1 638 . 1 1 63 63 VAL CA C 13 58.840 0.066 . 1 . . . . 63 VAL CA . 16362 1 639 . 1 1 63 63 VAL CB C 13 32.751 0.050 . 1 . . . . 63 VAL CB . 16362 1 640 . 1 1 63 63 VAL CG1 C 13 21.297 0.077 . 2 . . . . 63 VAL CG1 . 16362 1 641 . 1 1 63 63 VAL CG2 C 13 20.528 0.020 . 2 . . . . 63 VAL CG2 . 16362 1 642 . 1 1 63 63 VAL N N 15 121.225 0.032 . 1 . . . . 63 VAL N . 16362 1 643 . 1 1 64 64 PRO HA H 1 4.513 0.003 . 1 . . . . 64 PRO HA . 16362 1 644 . 1 1 64 64 PRO HB2 H 1 2.429 0.008 . 2 . . . . 64 PRO HB2 . 16362 1 645 . 1 1 64 64 PRO HB3 H 1 1.680 0.006 . 2 . . . . 64 PRO HB3 . 16362 1 646 . 1 1 64 64 PRO HD2 H 1 3.287 0.011 . 2 . . . . 64 PRO HD2 . 16362 1 647 . 1 1 64 64 PRO HD3 H 1 3.796 0.011 . 2 . . . . 64 PRO HD3 . 16362 1 648 . 1 1 64 64 PRO HG2 H 1 2.052 0.008 . 2 . . . . 64 PRO HG2 . 16362 1 649 . 1 1 64 64 PRO HG3 H 1 1.901 0.009 . 2 . . . . 64 PRO HG3 . 16362 1 650 . 1 1 64 64 PRO CA C 13 62.060 0.050 . 1 . . . . 64 PRO CA . 16362 1 651 . 1 1 64 64 PRO CB C 13 32.227 0.046 . 1 . . . . 64 PRO CB . 16362 1 652 . 1 1 64 64 PRO CD C 13 51.304 0.058 . 1 . . . . 64 PRO CD . 16362 1 653 . 1 1 64 64 PRO CG C 13 27.079 0.071 . 1 . . . . 64 PRO CG . 16362 1 654 . 1 1 65 65 ASN H H 1 8.563 0.003 . 1 . . . . 65 ASN H . 16362 1 655 . 1 1 65 65 ASN HA H 1 4.256 0.011 . 1 . . . . 65 ASN HA . 16362 1 656 . 1 1 65 65 ASN HB2 H 1 2.150 0.006 . 2 . . . . 65 ASN HB2 . 16362 1 657 . 1 1 65 65 ASN HB3 H 1 2.479 0.009 . 2 . . . . 65 ASN HB3 . 16362 1 658 . 1 1 65 65 ASN HD21 H 1 7.126 0.004 . 2 . . . . 65 ASN HD21 . 16362 1 659 . 1 1 65 65 ASN HD22 H 1 7.875 0.009 . 2 . . . . 65 ASN HD22 . 16362 1 660 . 1 1 65 65 ASN CA C 13 54.680 0.043 . 1 . . . . 65 ASN CA . 16362 1 661 . 1 1 65 65 ASN CB C 13 39.309 0.068 . 1 . . . . 65 ASN CB . 16362 1 662 . 1 1 65 65 ASN N N 15 118.125 0.031 . 1 . . . . 65 ASN N . 16362 1 663 . 1 1 65 65 ASN ND2 N 15 116.569 0.036 . 1 . . . . 65 ASN ND2 . 16362 1 664 . 1 1 66 66 THR H H 1 9.196 0.008 . 1 . . . . 66 THR H . 16362 1 665 . 1 1 66 66 THR HA H 1 4.868 0.007 . 1 . . . . 66 THR HA . 16362 1 666 . 1 1 66 66 THR HB H 1 4.576 0.009 . 1 . . . . 66 THR HB . 16362 1 667 . 1 1 66 66 THR HG21 H 1 1.220 0.010 . 1 . . . . 66 THR HG2 . 16362 1 668 . 1 1 66 66 THR HG22 H 1 1.220 0.010 . 1 . . . . 66 THR HG2 . 16362 1 669 . 1 1 66 66 THR HG23 H 1 1.220 0.010 . 1 . . . . 66 THR HG2 . 16362 1 670 . 1 1 66 66 THR CA C 13 65.272 0.077 . 1 . . . . 66 THR CA . 16362 1 671 . 1 1 66 66 THR CB C 13 68.926 0.074 . 1 . . . . 66 THR CB . 16362 1 672 . 1 1 66 66 THR CG2 C 13 21.878 0.000 . 1 . . . . 66 THR CG2 . 16362 1 673 . 1 1 66 66 THR N N 15 119.182 0.061 . 1 . . . . 66 THR N . 16362 1 674 . 1 1 67 67 LYS H H 1 7.835 0.014 . 1 . . . . 67 LYS H . 16362 1 675 . 1 1 67 67 LYS HA H 1 4.959 0.008 . 1 . . . . 67 LYS HA . 16362 1 676 . 1 1 67 67 LYS HB2 H 1 1.748 0.009 . 2 . . . . 67 LYS HB2 . 16362 1 677 . 1 1 67 67 LYS HB3 H 1 2.097 0.012 . 2 . . . . 67 LYS HB3 . 16362 1 678 . 1 1 67 67 LYS HG2 H 1 1.200 0.003 . 1 . . . . 67 LYS HG2 . 16362 1 679 . 1 1 67 67 LYS HG3 H 1 1.200 0.003 . 1 . . . . 67 LYS HG3 . 16362 1 680 . 1 1 67 67 LYS CA C 13 52.967 0.047 . 1 . . . . 67 LYS CA . 16362 1 681 . 1 1 67 67 LYS CB C 13 32.715 0.051 . 1 . . . . 67 LYS CB . 16362 1 682 . 1 1 67 67 LYS CG C 13 24.935 0.063 . 1 . . . . 67 LYS CG . 16362 1 683 . 1 1 67 67 LYS N N 15 120.408 0.077 . 1 . . . . 67 LYS N . 16362 1 684 . 1 1 68 68 ALA H H 1 9.391 0.011 . 1 . . . . 68 ALA H . 16362 1 685 . 1 1 68 68 ALA HA H 1 5.858 0.010 . 1 . . . . 68 ALA HA . 16362 1 686 . 1 1 68 68 ALA HB1 H 1 1.155 0.004 . 1 . . . . 68 ALA HB . 16362 1 687 . 1 1 68 68 ALA HB2 H 1 1.155 0.004 . 1 . . . . 68 ALA HB . 16362 1 688 . 1 1 68 68 ALA HB3 H 1 1.155 0.004 . 1 . . . . 68 ALA HB . 16362 1 689 . 1 1 68 68 ALA CA C 13 48.663 0.088 . 1 . . . . 68 ALA CA . 16362 1 690 . 1 1 68 68 ALA CB C 13 23.330 0.072 . 1 . . . . 68 ALA CB . 16362 1 691 . 1 1 68 68 ALA N N 15 118.308 0.095 . 1 . . . . 68 ALA N . 16362 1 692 . 1 1 69 69 LEU H H 1 8.667 0.015 . 1 . . . . 69 LEU H . 16362 1 693 . 1 1 69 69 LEU HA H 1 5.025 0.008 . 1 . . . . 69 LEU HA . 16362 1 694 . 1 1 69 69 LEU HB2 H 1 1.672 0.003 . 2 . . . . 69 LEU HB2 . 16362 1 695 . 1 1 69 69 LEU HB3 H 1 1.829 0.003 . 2 . . . . 69 LEU HB3 . 16362 1 696 . 1 1 69 69 LEU HD11 H 1 0.823 0.002 . 1 . . . . 69 LEU HD1 . 16362 1 697 . 1 1 69 69 LEU HD12 H 1 0.823 0.002 . 1 . . . . 69 LEU HD1 . 16362 1 698 . 1 1 69 69 LEU HD13 H 1 0.823 0.002 . 1 . . . . 69 LEU HD1 . 16362 1 699 . 1 1 69 69 LEU HD21 H 1 0.823 0.002 . 1 . . . . 69 LEU HD2 . 16362 1 700 . 1 1 69 69 LEU HD22 H 1 0.823 0.002 . 1 . . . . 69 LEU HD2 . 16362 1 701 . 1 1 69 69 LEU HD23 H 1 0.823 0.002 . 1 . . . . 69 LEU HD2 . 16362 1 702 . 1 1 69 69 LEU HG H 1 2.244 0.006 . 1 . . . . 69 LEU HG . 16362 1 703 . 1 1 69 69 LEU N N 15 118.351 0.077 . 1 . . . . 69 LEU N . 16362 1 704 . 1 1 70 70 LEU H H 1 8.082 0.013 . 1 . . . . 70 LEU H . 16362 1 705 . 1 1 70 70 LEU HA H 1 5.697 0.011 . 1 . . . . 70 LEU HA . 16362 1 706 . 1 1 70 70 LEU HB2 H 1 1.008 0.013 . 2 . . . . 70 LEU HB2 . 16362 1 707 . 1 1 70 70 LEU HB3 H 1 2.251 0.014 . 2 . . . . 70 LEU HB3 . 16362 1 708 . 1 1 70 70 LEU HD11 H 1 0.680 0.013 . 2 . . . . 70 LEU HD1 . 16362 1 709 . 1 1 70 70 LEU HD12 H 1 0.680 0.013 . 2 . . . . 70 LEU HD1 . 16362 1 710 . 1 1 70 70 LEU HD13 H 1 0.680 0.013 . 2 . . . . 70 LEU HD1 . 16362 1 711 . 1 1 70 70 LEU HD21 H 1 0.863 0.005 . 2 . . . . 70 LEU HD2 . 16362 1 712 . 1 1 70 70 LEU HD22 H 1 0.863 0.005 . 2 . . . . 70 LEU HD2 . 16362 1 713 . 1 1 70 70 LEU HD23 H 1 0.863 0.005 . 2 . . . . 70 LEU HD2 . 16362 1 714 . 1 1 70 70 LEU HG H 1 1.619 0.003 . 1 . . . . 70 LEU HG . 16362 1 715 . 1 1 70 70 LEU N N 15 119.371 0.049 . 1 . . . . 70 LEU N . 16362 1 716 . 1 1 71 71 TYR H H 1 9.868 0.012 . 1 . . . . 71 TYR H . 16362 1 717 . 1 1 71 71 TYR HA H 1 4.862 0.016 . 1 . . . . 71 TYR HA . 16362 1 718 . 1 1 71 71 TYR HB2 H 1 2.834 0.004 . 2 . . . . 71 TYR HB2 . 16362 1 719 . 1 1 71 71 TYR HB3 H 1 2.179 0.006 . 2 . . . . 71 TYR HB3 . 16362 1 720 . 1 1 71 71 TYR HD1 H 1 6.634 0.004 . 1 . . . . 71 TYR HD1 . 16362 1 721 . 1 1 71 71 TYR HD2 H 1 6.634 0.004 . 1 . . . . 71 TYR HD2 . 16362 1 722 . 1 1 71 71 TYR HE1 H 1 6.493 0.003 . 1 . . . . 71 TYR HE1 . 16362 1 723 . 1 1 71 71 TYR HE2 H 1 6.493 0.003 . 1 . . . . 71 TYR HE2 . 16362 1 724 . 1 1 71 71 TYR CA C 13 56.158 0.067 . 1 . . . . 71 TYR CA . 16362 1 725 . 1 1 71 71 TYR CB C 13 42.422 0.059 . 1 . . . . 71 TYR CB . 16362 1 726 . 1 1 71 71 TYR N N 15 125.022 0.023 . 1 . . . . 71 TYR N . 16362 1 727 . 1 1 72 72 SER H H 1 6.052 0.015 . 1 . . . . 72 SER H . 16362 1 728 . 1 1 72 72 SER HA H 1 5.156 0.008 . 1 . . . . 72 SER HA . 16362 1 729 . 1 1 72 72 SER HB2 H 1 3.636 0.007 . 2 . . . . 72 SER HB2 . 16362 1 730 . 1 1 72 72 SER HB3 H 1 3.990 0.005 . 2 . . . . 72 SER HB3 . 16362 1 731 . 1 1 72 72 SER CA C 13 56.016 0.035 . 1 . . . . 72 SER CA . 16362 1 732 . 1 1 72 72 SER CB C 13 66.020 0.049 . 1 . . . . 72 SER CB . 16362 1 733 . 1 1 72 72 SER N N 15 115.980 0.015 . 1 . . . . 72 SER N . 16362 1 734 . 1 1 73 73 GLY H H 1 8.071 0.014 . 1 . . . . 73 GLY H . 16362 1 735 . 1 1 73 73 GLY HA2 H 1 4.734 0.004 . 2 . . . . 73 GLY HA2 . 16362 1 736 . 1 1 73 73 GLY HA3 H 1 3.655 0.004 . 2 . . . . 73 GLY HA3 . 16362 1 737 . 1 1 73 73 GLY CA C 13 44.136 0.085 . 1 . . . . 73 GLY CA . 16362 1 738 . 1 1 73 73 GLY N N 15 102.051 0.006 . 1 . . . . 73 GLY N . 16362 1 739 . 1 1 74 74 ARG H H 1 9.213 0.005 . 1 . . . . 74 ARG H . 16362 1 740 . 1 1 74 74 ARG HA H 1 5.132 0.011 . 1 . . . . 74 ARG HA . 16362 1 741 . 1 1 74 74 ARG CA C 13 55.136 0.043 . 1 . . . . 74 ARG CA . 16362 1 742 . 1 1 74 74 ARG CB C 13 33.259 0.054 . 1 . . . . 74 ARG CB . 16362 1 743 . 1 1 74 74 ARG CG C 13 25.619 0.000 . 1 . . . . 74 ARG CG . 16362 1 744 . 1 1 74 74 ARG N N 15 113.391 0.049 . 1 . . . . 74 ARG N . 16362 1 745 . 1 1 75 75 LYS H H 1 7.610 0.016 . 1 . . . . 75 LYS H . 16362 1 746 . 1 1 75 75 LYS HA H 1 4.482 0.009 . 1 . . . . 75 LYS HA . 16362 1 747 . 1 1 75 75 LYS HB2 H 1 1.842 0.003 . 2 . . . . 75 LYS HB2 . 16362 1 748 . 1 1 75 75 LYS HB3 H 1 2.275 0.004 . 2 . . . . 75 LYS HB3 . 16362 1 749 . 1 1 75 75 LYS HD2 H 1 2.042 0.004 . 1 . . . . 75 LYS HD2 . 16362 1 750 . 1 1 75 75 LYS HD3 H 1 2.042 0.004 . 1 . . . . 75 LYS HD3 . 16362 1 751 . 1 1 75 75 LYS HE2 H 1 3.323 0.008 . 2 . . . . 75 LYS HE2 . 16362 1 752 . 1 1 75 75 LYS HE3 H 1 3.394 0.004 . 2 . . . . 75 LYS HE3 . 16362 1 753 . 1 1 75 75 LYS HG2 H 1 1.510 0.007 . 2 . . . . 75 LYS HG2 . 16362 1 754 . 1 1 75 75 LYS HG3 H 1 1.830 0.005 . 2 . . . . 75 LYS HG3 . 16362 1 755 . 1 1 75 75 LYS CA C 13 55.759 0.049 . 1 . . . . 75 LYS CA . 16362 1 756 . 1 1 75 75 LYS CB C 13 32.378 0.096 . 1 . . . . 75 LYS CB . 16362 1 757 . 1 1 75 75 LYS CD C 13 28.694 0.048 . 1 . . . . 75 LYS CD . 16362 1 758 . 1 1 75 75 LYS CE C 13 41.763 0.059 . 1 . . . . 75 LYS CE . 16362 1 759 . 1 1 75 75 LYS CG C 13 21.947 0.063 . 1 . . . . 75 LYS CG . 16362 1 760 . 1 1 75 75 LYS N N 15 116.157 0.109 . 1 . . . . 75 LYS N . 16362 1 761 . 1 1 76 76 ASP H H 1 8.378 0.005 . 1 . . . . 76 ASP H . 16362 1 762 . 1 1 76 76 ASP HA H 1 4.509 0.001 . 1 . . . . 76 ASP HA . 16362 1 763 . 1 1 76 76 ASP HB2 H 1 2.535 0.012 . 2 . . . . 76 ASP HB2 . 16362 1 764 . 1 1 76 76 ASP HB3 H 1 2.771 0.029 . 2 . . . . 76 ASP HB3 . 16362 1 765 . 1 1 76 76 ASP CA C 13 54.215 0.034 . 1 . . . . 76 ASP CA . 16362 1 766 . 1 1 76 76 ASP CB C 13 41.534 0.059 . 1 . . . . 76 ASP CB . 16362 1 767 . 1 1 76 76 ASP N N 15 121.006 0.049 . 1 . . . . 76 ASP N . 16362 1 768 . 1 1 77 77 THR H H 1 8.482 0.003 . 1 . . . . 77 THR H . 16362 1 769 . 1 1 77 77 THR HA H 1 4.249 0.005 . 1 . . . . 77 THR HA . 16362 1 770 . 1 1 77 77 THR HB H 1 4.274 0.007 . 1 . . . . 77 THR HB . 16362 1 771 . 1 1 77 77 THR HG21 H 1 1.278 0.006 . 1 . . . . 77 THR HG2 . 16362 1 772 . 1 1 77 77 THR HG22 H 1 1.278 0.006 . 1 . . . . 77 THR HG2 . 16362 1 773 . 1 1 77 77 THR HG23 H 1 1.278 0.006 . 1 . . . . 77 THR HG2 . 16362 1 774 . 1 1 77 77 THR CA C 13 62.855 0.041 . 1 . . . . 77 THR CA . 16362 1 775 . 1 1 77 77 THR CB C 13 69.338 0.098 . 1 . . . . 77 THR CB . 16362 1 776 . 1 1 77 77 THR CG2 C 13 21.958 0.043 . 1 . . . . 77 THR CG2 . 16362 1 777 . 1 1 77 77 THR N N 15 114.410 0.024 . 1 . . . . 77 THR N . 16362 1 778 . 1 1 78 78 GLY H H 1 8.433 0.003 . 1 . . . . 78 GLY H . 16362 1 779 . 1 1 78 78 GLY HA2 H 1 3.993 0.006 . 2 . . . . 78 GLY HA2 . 16362 1 780 . 1 1 78 78 GLY HA3 H 1 4.508 0.002 . 2 . . . . 78 GLY HA3 . 16362 1 781 . 1 1 78 78 GLY CA C 13 44.596 0.053 . 1 . . . . 78 GLY CA . 16362 1 782 . 1 1 78 78 GLY N N 15 111.708 0.020 . 1 . . . . 78 GLY N . 16362 1 783 . 1 1 79 79 PRO HA H 1 4.564 0.002 . 1 . . . . 79 PRO HA . 16362 1 784 . 1 1 79 79 PRO HB2 H 1 2.192 0.005 . 2 . . . . 79 PRO HB2 . 16362 1 785 . 1 1 79 79 PRO HB3 H 1 2.157 0.002 . 2 . . . . 79 PRO HB3 . 16362 1 786 . 1 1 79 79 PRO HD2 H 1 3.570 0.006 . 2 . . . . 79 PRO HD2 . 16362 1 787 . 1 1 79 79 PRO HD3 H 1 3.758 0.004 . 2 . . . . 79 PRO HD3 . 16362 1 788 . 1 1 79 79 PRO HG2 H 1 1.964 0.008 . 2 . . . . 79 PRO HG2 . 16362 1 789 . 1 1 79 79 PRO HG3 H 1 2.101 0.005 . 2 . . . . 79 PRO HG3 . 16362 1 790 . 1 1 79 79 PRO CA C 13 63.949 0.023 . 1 . . . . 79 PRO CA . 16362 1 791 . 1 1 79 79 PRO CB C 13 31.395 0.062 . 1 . . . . 79 PRO CB . 16362 1 792 . 1 1 79 79 PRO CD C 13 49.376 0.079 . 1 . . . . 79 PRO CD . 16362 1 793 . 1 1 79 79 PRO CG C 13 26.752 0.057 . 1 . . . . 79 PRO CG . 16362 1 794 . 1 1 80 80 VAL H H 1 7.740 0.005 . 1 . . . . 80 VAL H . 16362 1 795 . 1 1 80 80 VAL HA H 1 4.090 0.005 . 1 . . . . 80 VAL HA . 16362 1 796 . 1 1 80 80 VAL HB H 1 2.020 0.004 . 1 . . . . 80 VAL HB . 16362 1 797 . 1 1 80 80 VAL HG11 H 1 0.878 0.006 . 2 . . . . 80 VAL HG1 . 16362 1 798 . 1 1 80 80 VAL HG12 H 1 0.878 0.006 . 2 . . . . 80 VAL HG1 . 16362 1 799 . 1 1 80 80 VAL HG13 H 1 0.878 0.006 . 2 . . . . 80 VAL HG1 . 16362 1 800 . 1 1 80 80 VAL HG21 H 1 0.915 0.003 . 2 . . . . 80 VAL HG2 . 16362 1 801 . 1 1 80 80 VAL HG22 H 1 0.915 0.003 . 2 . . . . 80 VAL HG2 . 16362 1 802 . 1 1 80 80 VAL HG23 H 1 0.915 0.003 . 2 . . . . 80 VAL HG2 . 16362 1 803 . 1 1 80 80 VAL CA C 13 61.765 0.059 . 1 . . . . 80 VAL CA . 16362 1 804 . 1 1 80 80 VAL CB C 13 32.500 0.078 . 1 . . . . 80 VAL CB . 16362 1 805 . 1 1 80 80 VAL CG1 C 13 20.693 0.048 . 2 . . . . 80 VAL CG1 . 16362 1 806 . 1 1 80 80 VAL CG2 C 13 20.766 0.035 . 2 . . . . 80 VAL CG2 . 16362 1 807 . 1 1 80 80 VAL N N 15 119.493 0.030 . 1 . . . . 80 VAL N . 16362 1 808 . 1 1 81 81 ALA H H 1 8.473 0.003 . 1 . . . . 81 ALA H . 16362 1 809 . 1 1 81 81 ALA HA H 1 3.992 0.010 . 1 . . . . 81 ALA HA . 16362 1 810 . 1 1 81 81 ALA HB1 H 1 1.051 0.004 . 1 . . . . 81 ALA HB . 16362 1 811 . 1 1 81 81 ALA HB2 H 1 1.051 0.004 . 1 . . . . 81 ALA HB . 16362 1 812 . 1 1 81 81 ALA HB3 H 1 1.051 0.004 . 1 . . . . 81 ALA HB . 16362 1 813 . 1 1 81 81 ALA CA C 13 51.812 0.053 . 1 . . . . 81 ALA CA . 16362 1 814 . 1 1 81 81 ALA CB C 13 17.768 0.074 . 1 . . . . 81 ALA CB . 16362 1 815 . 1 1 81 81 ALA N N 15 130.873 0.032 . 1 . . . . 81 ALA N . 16362 1 816 . 1 1 82 82 THR H H 1 7.474 0.009 . 1 . . . . 82 THR H . 16362 1 817 . 1 1 82 82 THR HA H 1 4.508 0.001 . 1 . . . . 82 THR HA . 16362 1 818 . 1 1 82 82 THR HB H 1 4.449 0.008 . 1 . . . . 82 THR HB . 16362 1 819 . 1 1 82 82 THR HG21 H 1 1.222 0.004 . 1 . . . . 82 THR HG2 . 16362 1 820 . 1 1 82 82 THR HG22 H 1 1.222 0.004 . 1 . . . . 82 THR HG2 . 16362 1 821 . 1 1 82 82 THR HG23 H 1 1.222 0.004 . 1 . . . . 82 THR HG2 . 16362 1 822 . 1 1 82 82 THR CA C 13 60.918 0.085 . 1 . . . . 82 THR CA . 16362 1 823 . 1 1 82 82 THR CB C 13 71.613 0.043 . 1 . . . . 82 THR CB . 16362 1 824 . 1 1 82 82 THR CG2 C 13 21.435 0.021 . 1 . . . . 82 THR CG2 . 16362 1 825 . 1 1 82 82 THR N N 15 111.079 0.042 . 1 . . . . 82 THR N . 16362 1 826 . 1 1 83 83 GLY H H 1 8.248 0.006 . 1 . . . . 83 GLY H . 16362 1 827 . 1 1 83 83 GLY HA2 H 1 3.906 0.007 . 2 . . . . 83 GLY HA2 . 16362 1 828 . 1 1 83 83 GLY HA3 H 1 4.208 0.004 . 2 . . . . 83 GLY HA3 . 16362 1 829 . 1 1 83 83 GLY CA C 13 43.855 0.059 . 1 . . . . 83 GLY CA . 16362 1 830 . 1 1 83 83 GLY N N 15 108.402 0.072 . 1 . . . . 83 GLY N . 16362 1 831 . 1 1 84 84 ALA H H 1 8.971 0.017 . 1 . . . . 84 ALA H . 16362 1 832 . 1 1 84 84 ALA HA H 1 4.830 0.009 . 1 . . . . 84 ALA HA . 16362 1 833 . 1 1 84 84 ALA HB1 H 1 1.060 0.009 . 1 . . . . 84 ALA HB . 16362 1 834 . 1 1 84 84 ALA HB2 H 1 1.060 0.009 . 1 . . . . 84 ALA HB . 16362 1 835 . 1 1 84 84 ALA HB3 H 1 1.060 0.009 . 1 . . . . 84 ALA HB . 16362 1 836 . 1 1 84 84 ALA CA C 13 51.191 0.062 . 1 . . . . 84 ALA CA . 16362 1 837 . 1 1 84 84 ALA CB C 13 18.636 0.082 . 1 . . . . 84 ALA CB . 16362 1 838 . 1 1 84 84 ALA N N 15 124.962 0.064 . 1 . . . . 84 ALA N . 16362 1 839 . 1 1 85 85 VAL H H 1 8.847 0.006 . 1 . . . . 85 VAL H . 16362 1 840 . 1 1 85 85 VAL HA H 1 4.897 0.008 . 1 . . . . 85 VAL HA . 16362 1 841 . 1 1 85 85 VAL HB H 1 1.712 0.005 . 1 . . . . 85 VAL HB . 16362 1 842 . 1 1 85 85 VAL HG11 H 1 0.926 0.004 . 2 . . . . 85 VAL HG1 . 16362 1 843 . 1 1 85 85 VAL HG12 H 1 0.926 0.004 . 2 . . . . 85 VAL HG1 . 16362 1 844 . 1 1 85 85 VAL HG13 H 1 0.926 0.004 . 2 . . . . 85 VAL HG1 . 16362 1 845 . 1 1 85 85 VAL HG21 H 1 0.771 0.008 . 2 . . . . 85 VAL HG2 . 16362 1 846 . 1 1 85 85 VAL HG22 H 1 0.771 0.008 . 2 . . . . 85 VAL HG2 . 16362 1 847 . 1 1 85 85 VAL HG23 H 1 0.771 0.008 . 2 . . . . 85 VAL HG2 . 16362 1 848 . 1 1 85 85 VAL CA C 13 60.654 0.052 . 1 . . . . 85 VAL CA . 16362 1 849 . 1 1 85 85 VAL CB C 13 35.446 0.061 . 1 . . . . 85 VAL CB . 16362 1 850 . 1 1 85 85 VAL CG1 C 13 19.146 0.018 . 2 . . . . 85 VAL CG1 . 16362 1 851 . 1 1 85 85 VAL CG2 C 13 22.154 0.011 . 2 . . . . 85 VAL CG2 . 16362 1 852 . 1 1 85 85 VAL N N 15 124.337 0.063 . 1 . . . . 85 VAL N . 16362 1 853 . 1 1 86 86 ALA H H 1 8.370 0.012 . 1 . . . . 86 ALA H . 16362 1 854 . 1 1 86 86 ALA HA H 1 4.735 0.007 . 1 . . . . 86 ALA HA . 16362 1 855 . 1 1 86 86 ALA HB1 H 1 -0.119 0.003 . 1 . . . . 86 ALA HB . 16362 1 856 . 1 1 86 86 ALA HB2 H 1 -0.119 0.003 . 1 . . . . 86 ALA HB . 16362 1 857 . 1 1 86 86 ALA HB3 H 1 -0.119 0.003 . 1 . . . . 86 ALA HB . 16362 1 858 . 1 1 86 86 ALA CA C 13 50.705 0.061 . 1 . . . . 86 ALA CA . 16362 1 859 . 1 1 86 86 ALA CB C 13 22.427 0.064 . 1 . . . . 86 ALA CB . 16362 1 860 . 1 1 86 86 ALA N N 15 128.295 0.040 . 1 . . . . 86 ALA N . 16362 1 861 . 1 1 87 87 ALA H H 1 8.729 0.017 . 1 . . . . 87 ALA H . 16362 1 862 . 1 1 87 87 ALA HA H 1 5.835 0.006 . 1 . . . . 87 ALA HA . 16362 1 863 . 1 1 87 87 ALA HB1 H 1 1.257 0.006 . 1 . . . . 87 ALA HB . 16362 1 864 . 1 1 87 87 ALA HB2 H 1 1.257 0.006 . 1 . . . . 87 ALA HB . 16362 1 865 . 1 1 87 87 ALA HB3 H 1 1.257 0.006 . 1 . . . . 87 ALA HB . 16362 1 866 . 1 1 87 87 ALA CA C 13 49.822 0.041 . 1 . . . . 87 ALA CA . 16362 1 867 . 1 1 87 87 ALA CB C 13 22.232 0.088 . 1 . . . . 87 ALA CB . 16362 1 868 . 1 1 87 87 ALA N N 15 117.039 0.035 . 1 . . . . 87 ALA N . 16362 1 869 . 1 1 88 88 PHE H H 1 9.380 0.016 . 1 . . . . 88 PHE H . 16362 1 870 . 1 1 88 88 PHE HA H 1 5.357 0.008 . 1 . . . . 88 PHE HA . 16362 1 871 . 1 1 88 88 PHE HB2 H 1 2.864 0.004 . 2 . . . . 88 PHE HB2 . 16362 1 872 . 1 1 88 88 PHE HB3 H 1 3.138 0.013 . 2 . . . . 88 PHE HB3 . 16362 1 873 . 1 1 88 88 PHE HD1 H 1 6.998 0.005 . 1 . . . . 88 PHE HD1 . 16362 1 874 . 1 1 88 88 PHE HD2 H 1 6.998 0.005 . 1 . . . . 88 PHE HD2 . 16362 1 875 . 1 1 88 88 PHE HE1 H 1 7.259 0.003 . 1 . . . . 88 PHE HE1 . 16362 1 876 . 1 1 88 88 PHE HE2 H 1 7.259 0.003 . 1 . . . . 88 PHE HE2 . 16362 1 877 . 1 1 88 88 PHE CA C 13 56.099 0.001 . 1 . . . . 88 PHE CA . 16362 1 878 . 1 1 88 88 PHE CB C 13 41.556 0.052 . 1 . . . . 88 PHE CB . 16362 1 879 . 1 1 88 88 PHE N N 15 116.968 0.080 . 1 . . . . 88 PHE N . 16362 1 880 . 1 1 89 89 ALA H H 1 8.081 0.011 . 1 . . . . 89 ALA H . 16362 1 881 . 1 1 89 89 ALA HA H 1 5.991 0.007 . 1 . . . . 89 ALA HA . 16362 1 882 . 1 1 89 89 ALA HB1 H 1 1.323 0.005 . 1 . . . . 89 ALA HB . 16362 1 883 . 1 1 89 89 ALA HB2 H 1 1.323 0.005 . 1 . . . . 89 ALA HB . 16362 1 884 . 1 1 89 89 ALA HB3 H 1 1.323 0.005 . 1 . . . . 89 ALA HB . 16362 1 885 . 1 1 89 89 ALA CA C 13 50.536 0.096 . 1 . . . . 89 ALA CA . 16362 1 886 . 1 1 89 89 ALA CB C 13 24.097 0.068 . 1 . . . . 89 ALA CB . 16362 1 887 . 1 1 89 89 ALA N N 15 120.381 0.034 . 1 . . . . 89 ALA N . 16362 1 888 . 1 1 90 90 TYR H H 1 9.003 0.015 . 1 . . . . 90 TYR H . 16362 1 889 . 1 1 90 90 TYR HA H 1 4.583 0.009 . 1 . . . . 90 TYR HA . 16362 1 890 . 1 1 90 90 TYR HB2 H 1 2.431 0.006 . 2 . . . . 90 TYR HB2 . 16362 1 891 . 1 1 90 90 TYR HB3 H 1 2.570 0.005 . 2 . . . . 90 TYR HB3 . 16362 1 892 . 1 1 90 90 TYR HD1 H 1 6.936 0.003 . 1 . . . . 90 TYR HD1 . 16362 1 893 . 1 1 90 90 TYR HD2 H 1 6.936 0.003 . 1 . . . . 90 TYR HD2 . 16362 1 894 . 1 1 90 90 TYR HE1 H 1 6.494 0.004 . 1 . . . . 90 TYR HE1 . 16362 1 895 . 1 1 90 90 TYR HE2 H 1 6.494 0.004 . 1 . . . . 90 TYR HE2 . 16362 1 896 . 1 1 90 90 TYR CA C 13 57.946 0.057 . 1 . . . . 90 TYR CA . 16362 1 897 . 1 1 90 90 TYR CB C 13 43.178 0.064 . 1 . . . . 90 TYR CB . 16362 1 898 . 1 1 90 90 TYR N N 15 119.604 0.037 . 1 . . . . 90 TYR N . 16362 1 899 . 1 1 91 91 TYR H H 1 9.967 0.016 . 1 . . . . 91 TYR H . 16362 1 900 . 1 1 91 91 TYR HA H 1 4.966 0.007 . 1 . . . . 91 TYR HA . 16362 1 901 . 1 1 91 91 TYR HB2 H 1 2.833 0.004 . 2 . . . . 91 TYR HB2 . 16362 1 902 . 1 1 91 91 TYR HB3 H 1 3.144 0.005 . 2 . . . . 91 TYR HB3 . 16362 1 903 . 1 1 91 91 TYR HD1 H 1 7.051 0.016 . 1 . . . . 91 TYR HD1 . 16362 1 904 . 1 1 91 91 TYR HD2 H 1 7.051 0.016 . 1 . . . . 91 TYR HD2 . 16362 1 905 . 1 1 91 91 TYR HE1 H 1 6.574 0.002 . 1 . . . . 91 TYR HE1 . 16362 1 906 . 1 1 91 91 TYR HE2 H 1 6.574 0.002 . 1 . . . . 91 TYR HE2 . 16362 1 907 . 1 1 91 91 TYR CA C 13 56.506 0.080 . 1 . . . . 91 TYR CA . 16362 1 908 . 1 1 91 91 TYR CB C 13 39.059 0.084 . 1 . . . . 91 TYR CB . 16362 1 909 . 1 1 91 91 TYR N N 15 124.415 0.050 . 1 . . . . 91 TYR N . 16362 1 910 . 1 1 92 92 MET H H 1 8.886 0.020 . 1 . . . . 92 MET H . 16362 1 911 . 1 1 92 92 MET HA H 1 4.851 0.008 . 1 . . . . 92 MET HA . 16362 1 912 . 1 1 92 92 MET HB2 H 1 2.036 0.013 . 2 . . . . 92 MET HB2 . 16362 1 913 . 1 1 92 92 MET HB3 H 1 2.320 0.039 . 2 . . . . 92 MET HB3 . 16362 1 914 . 1 1 92 92 MET HE1 H 1 1.748 0.005 . 1 . . . . 92 MET HE . 16362 1 915 . 1 1 92 92 MET HE2 H 1 1.748 0.005 . 1 . . . . 92 MET HE . 16362 1 916 . 1 1 92 92 MET HE3 H 1 1.748 0.005 . 1 . . . . 92 MET HE . 16362 1 917 . 1 1 92 92 MET CA C 13 56.026 0.022 . 1 . . . . 92 MET CA . 16362 1 918 . 1 1 92 92 MET CB C 13 35.000 0.000 . 1 . . . . 92 MET CB . 16362 1 919 . 1 1 92 92 MET N N 15 127.096 0.025 . 1 . . . . 92 MET N . 16362 1 920 . 1 1 93 93 SER H H 1 8.174 0.007 . 1 . . . . 93 SER H . 16362 1 921 . 1 1 93 93 SER HA H 1 4.186 0.006 . 1 . . . . 93 SER HA . 16362 1 922 . 1 1 93 93 SER HB2 H 1 4.302 0.012 . 1 . . . . 93 SER HB2 . 16362 1 923 . 1 1 93 93 SER HB3 H 1 4.302 0.012 . 1 . . . . 93 SER HB3 . 16362 1 924 . 1 1 93 93 SER CA C 13 61.585 0.063 . 1 . . . . 93 SER CA . 16362 1 925 . 1 1 93 93 SER CB C 13 62.779 0.028 . 1 . . . . 93 SER CB . 16362 1 926 . 1 1 93 93 SER N N 15 116.886 0.019 . 1 . . . . 93 SER N . 16362 1 927 . 1 1 94 94 SER H H 1 7.107 0.006 . 1 . . . . 94 SER H . 16362 1 928 . 1 1 94 94 SER HA H 1 4.372 0.008 . 1 . . . . 94 SER HA . 16362 1 929 . 1 1 94 94 SER HB2 H 1 3.933 0.008 . 2 . . . . 94 SER HB2 . 16362 1 930 . 1 1 94 94 SER HB3 H 1 4.068 0.012 . 2 . . . . 94 SER HB3 . 16362 1 931 . 1 1 94 94 SER CA C 13 57.634 0.093 . 1 . . . . 94 SER CA . 16362 1 932 . 1 1 94 94 SER CB C 13 63.587 0.035 . 1 . . . . 94 SER CB . 16362 1 933 . 1 1 94 94 SER N N 15 112.711 0.030 . 1 . . . . 94 SER N . 16362 1 934 . 1 1 95 95 GLY H H 1 8.129 0.008 . 1 . . . . 95 GLY H . 16362 1 935 . 1 1 95 95 GLY HA2 H 1 3.586 0.013 . 2 . . . . 95 GLY HA2 . 16362 1 936 . 1 1 95 95 GLY HA3 H 1 4.235 0.010 . 2 . . . . 95 GLY HA3 . 16362 1 937 . 1 1 95 95 GLY CA C 13 45.213 0.017 . 1 . . . . 95 GLY CA . 16362 1 938 . 1 1 95 95 GLY N N 15 109.548 0.042 . 1 . . . . 95 GLY N . 16362 1 939 . 1 1 96 96 ASN H H 1 6.433 0.007 . 1 . . . . 96 ASN H . 16362 1 940 . 1 1 96 96 ASN HA H 1 5.754 0.007 . 1 . . . . 96 ASN HA . 16362 1 941 . 1 1 96 96 ASN HB2 H 1 1.766 0.007 . 2 . . . . 96 ASN HB2 . 16362 1 942 . 1 1 96 96 ASN HB3 H 1 2.640 0.006 . 2 . . . . 96 ASN HB3 . 16362 1 943 . 1 1 96 96 ASN HD21 H 1 6.518 0.012 . 2 . . . . 96 ASN HD21 . 16362 1 944 . 1 1 96 96 ASN HD22 H 1 6.758 0.003 . 2 . . . . 96 ASN HD22 . 16362 1 945 . 1 1 96 96 ASN CA C 13 51.283 0.048 . 1 . . . . 96 ASN CA . 16362 1 946 . 1 1 96 96 ASN CB C 13 41.490 0.020 . 1 . . . . 96 ASN CB . 16362 1 947 . 1 1 96 96 ASN N N 15 114.777 0.029 . 1 . . . . 96 ASN N . 16362 1 948 . 1 1 96 96 ASN ND2 N 15 113.982 0.067 . 1 . . . . 96 ASN ND2 . 16362 1 949 . 1 1 97 97 THR H H 1 9.334 0.019 . 1 . . . . 97 THR H . 16362 1 950 . 1 1 97 97 THR HA H 1 5.034 0.009 . 1 . . . . 97 THR HA . 16362 1 951 . 1 1 97 97 THR HB H 1 3.981 0.024 . 1 . . . . 97 THR HB . 16362 1 952 . 1 1 97 97 THR HG21 H 1 1.374 0.006 . 1 . . . . 97 THR HG2 . 16362 1 953 . 1 1 97 97 THR HG22 H 1 1.374 0.006 . 1 . . . . 97 THR HG2 . 16362 1 954 . 1 1 97 97 THR HG23 H 1 1.374 0.006 . 1 . . . . 97 THR HG2 . 16362 1 955 . 1 1 97 97 THR CA C 13 63.465 0.039 . 1 . . . . 97 THR CA . 16362 1 956 . 1 1 97 97 THR CB C 13 72.360 0.030 . 1 . . . . 97 THR CB . 16362 1 957 . 1 1 97 97 THR CG2 C 13 20.866 0.029 . 1 . . . . 97 THR CG2 . 16362 1 958 . 1 1 97 97 THR N N 15 117.785 0.040 . 1 . . . . 97 THR N . 16362 1 959 . 1 1 98 98 LEU H H 1 9.530 0.007 . 1 . . . . 98 LEU H . 16362 1 960 . 1 1 98 98 LEU HA H 1 4.555 0.010 . 1 . . . . 98 LEU HA . 16362 1 961 . 1 1 98 98 LEU HB2 H 1 1.736 0.002 . 2 . . . . 98 LEU HB2 . 16362 1 962 . 1 1 98 98 LEU HB3 H 1 1.543 0.004 . 2 . . . . 98 LEU HB3 . 16362 1 963 . 1 1 98 98 LEU HD11 H 1 0.056 0.002 . 2 . . . . 98 LEU HD1 . 16362 1 964 . 1 1 98 98 LEU HD12 H 1 0.056 0.002 . 2 . . . . 98 LEU HD1 . 16362 1 965 . 1 1 98 98 LEU HD13 H 1 0.056 0.002 . 2 . . . . 98 LEU HD1 . 16362 1 966 . 1 1 98 98 LEU HD21 H 1 0.548 0.017 . 2 . . . . 98 LEU HD2 . 16362 1 967 . 1 1 98 98 LEU HD22 H 1 0.548 0.017 . 2 . . . . 98 LEU HD2 . 16362 1 968 . 1 1 98 98 LEU HD23 H 1 0.548 0.017 . 2 . . . . 98 LEU HD2 . 16362 1 969 . 1 1 98 98 LEU HG H 1 1.114 0.012 . 1 . . . . 98 LEU HG . 16362 1 970 . 1 1 98 98 LEU N N 15 130.106 0.029 . 1 . . . . 98 LEU N . 16362 1 971 . 1 1 99 99 GLY H H 1 9.645 0.008 . 1 . . . . 99 GLY H . 16362 1 972 . 1 1 99 99 GLY HA2 H 1 3.637 0.009 . 2 . . . . 99 GLY HA2 . 16362 1 973 . 1 1 99 99 GLY HA3 H 1 5.135 0.008 . 2 . . . . 99 GLY HA3 . 16362 1 974 . 1 1 99 99 GLY CA C 13 44.953 0.038 . 1 . . . . 99 GLY CA . 16362 1 975 . 1 1 99 99 GLY N N 15 116.451 0.049 . 1 . . . . 99 GLY N . 16362 1 976 . 1 1 100 100 VAL H H 1 8.520 0.018 . 1 . . . . 100 VAL H . 16362 1 977 . 1 1 100 100 VAL HA H 1 4.699 0.005 . 1 . . . . 100 VAL HA . 16362 1 978 . 1 1 100 100 VAL HB H 1 0.354 0.007 . 1 . . . . 100 VAL HB . 16362 1 979 . 1 1 100 100 VAL HG11 H 1 0.862 0.007 . 2 . . . . 100 VAL HG1 . 16362 1 980 . 1 1 100 100 VAL HG12 H 1 0.862 0.007 . 2 . . . . 100 VAL HG1 . 16362 1 981 . 1 1 100 100 VAL HG13 H 1 0.862 0.007 . 2 . . . . 100 VAL HG1 . 16362 1 982 . 1 1 100 100 VAL HG21 H 1 0.646 0.004 . 2 . . . . 100 VAL HG2 . 16362 1 983 . 1 1 100 100 VAL HG22 H 1 0.646 0.004 . 2 . . . . 100 VAL HG2 . 16362 1 984 . 1 1 100 100 VAL HG23 H 1 0.646 0.004 . 2 . . . . 100 VAL HG2 . 16362 1 985 . 1 1 100 100 VAL CA C 13 60.470 0.020 . 1 . . . . 100 VAL CA . 16362 1 986 . 1 1 100 100 VAL CB C 13 34.214 0.051 . 1 . . . . 100 VAL CB . 16362 1 987 . 1 1 100 100 VAL CG1 C 13 20.145 0.032 . 2 . . . . 100 VAL CG1 . 16362 1 988 . 1 1 100 100 VAL CG2 C 13 21.946 0.050 . 2 . . . . 100 VAL CG2 . 16362 1 989 . 1 1 100 100 VAL N N 15 122.672 0.029 . 1 . . . . 100 VAL N . 16362 1 990 . 1 1 101 101 MET H H 1 8.890 0.013 . 1 . . . . 101 MET H . 16362 1 991 . 1 1 101 101 MET HA H 1 5.612 0.013 . 1 . . . . 101 MET HA . 16362 1 992 . 1 1 101 101 MET HB2 H 1 1.725 0.008 . 2 . . . . 101 MET HB2 . 16362 1 993 . 1 1 101 101 MET HB3 H 1 2.046 0.008 . 2 . . . . 101 MET HB3 . 16362 1 994 . 1 1 101 101 MET HE1 H 1 1.740 0.003 . 1 . . . . 101 MET HE . 16362 1 995 . 1 1 101 101 MET HE2 H 1 1.740 0.003 . 1 . . . . 101 MET HE . 16362 1 996 . 1 1 101 101 MET HE3 H 1 1.740 0.003 . 1 . . . . 101 MET HE . 16362 1 997 . 1 1 101 101 MET HG2 H 1 2.677 0.000 . 2 . . . . 101 MET HG2 . 16362 1 998 . 1 1 101 101 MET HG3 H 1 2.869 0.018 . 2 . . . . 101 MET HG3 . 16362 1 999 . 1 1 101 101 MET CA C 13 53.070 0.020 . 1 . . . . 101 MET CA . 16362 1 1000 . 1 1 101 101 MET CB C 13 34.703 0.072 . 1 . . . . 101 MET CB . 16362 1 1001 . 1 1 101 101 MET CG C 13 31.655 0.000 . 1 . . . . 101 MET CG . 16362 1 1002 . 1 1 101 101 MET N N 15 125.610 0.049 . 1 . . . . 101 MET N . 16362 1 1003 . 1 1 102 102 PHE H H 1 8.340 0.014 . 1 . . . . 102 PHE H . 16362 1 1004 . 1 1 102 102 PHE HA H 1 5.627 0.019 . 1 . . . . 102 PHE HA . 16362 1 1005 . 1 1 102 102 PHE HB2 H 1 3.028 0.003 . 2 . . . . 102 PHE HB2 . 16362 1 1006 . 1 1 102 102 PHE HB3 H 1 3.155 0.010 . 2 . . . . 102 PHE HB3 . 16362 1 1007 . 1 1 102 102 PHE HD1 H 1 7.106 0.009 . 1 . . . . 102 PHE HD1 . 16362 1 1008 . 1 1 102 102 PHE HD2 H 1 7.106 0.009 . 1 . . . . 102 PHE HD2 . 16362 1 1009 . 1 1 102 102 PHE HE1 H 1 6.951 0.004 . 1 . . . . 102 PHE HE1 . 16362 1 1010 . 1 1 102 102 PHE HE2 H 1 6.951 0.004 . 1 . . . . 102 PHE HE2 . 16362 1 1011 . 1 1 102 102 PHE HZ H 1 6.718 0.002 . 1 . . . . 102 PHE HZ . 16362 1 1012 . 1 1 102 102 PHE CA C 13 56.429 0.052 . 1 . . . . 102 PHE CA . 16362 1 1013 . 1 1 102 102 PHE CB C 13 44.758 0.002 . 1 . . . . 102 PHE CB . 16362 1 1014 . 1 1 102 102 PHE N N 15 117.604 0.020 . 1 . . . . 102 PHE N . 16362 1 1015 . 1 1 103 103 SER H H 1 9.058 0.008 . 1 . . . . 103 SER H . 16362 1 1016 . 1 1 103 103 SER HA H 1 5.129 0.007 . 1 . . . . 103 SER HA . 16362 1 1017 . 1 1 103 103 SER HB2 H 1 4.070 0.008 . 2 . . . . 103 SER HB2 . 16362 1 1018 . 1 1 103 103 SER HB3 H 1 4.255 0.005 . 2 . . . . 103 SER HB3 . 16362 1 1019 . 1 1 103 103 SER CA C 13 57.940 0.093 . 1 . . . . 103 SER CA . 16362 1 1020 . 1 1 103 103 SER CB C 13 63.975 0.059 . 1 . . . . 103 SER CB . 16362 1 1021 . 1 1 103 103 SER N N 15 113.730 0.050 . 1 . . . . 103 SER N . 16362 1 1022 . 1 1 104 104 VAL H H 1 8.696 0.014 . 1 . . . . 104 VAL H . 16362 1 1023 . 1 1 104 104 VAL HA H 1 5.035 0.008 . 1 . . . . 104 VAL HA . 16362 1 1024 . 1 1 104 104 VAL HB H 1 2.303 0.008 . 1 . . . . 104 VAL HB . 16362 1 1025 . 1 1 104 104 VAL HG11 H 1 0.849 0.003 . 2 . . . . 104 VAL HG1 . 16362 1 1026 . 1 1 104 104 VAL HG12 H 1 0.849 0.003 . 2 . . . . 104 VAL HG1 . 16362 1 1027 . 1 1 104 104 VAL HG13 H 1 0.849 0.003 . 2 . . . . 104 VAL HG1 . 16362 1 1028 . 1 1 104 104 VAL HG21 H 1 0.875 0.001 . 2 . . . . 104 VAL HG2 . 16362 1 1029 . 1 1 104 104 VAL HG22 H 1 0.875 0.001 . 2 . . . . 104 VAL HG2 . 16362 1 1030 . 1 1 104 104 VAL HG23 H 1 0.875 0.001 . 2 . . . . 104 VAL HG2 . 16362 1 1031 . 1 1 104 104 VAL CA C 13 58.876 0.083 . 1 . . . . 104 VAL CA . 16362 1 1032 . 1 1 104 104 VAL CB C 13 33.194 0.059 . 1 . . . . 104 VAL CB . 16362 1 1033 . 1 1 104 104 VAL CG1 C 13 20.692 0.011 . 2 . . . . 104 VAL CG1 . 16362 1 1034 . 1 1 104 104 VAL CG2 C 13 20.700 0.000 . 2 . . . . 104 VAL CG2 . 16362 1 1035 . 1 1 104 104 VAL N N 15 130.455 0.050 . 1 . . . . 104 VAL N . 16362 1 1036 . 1 1 105 105 PRO HA H 1 4.601 0.004 . 1 . . . . 105 PRO HA . 16362 1 1037 . 1 1 105 105 PRO HB2 H 1 2.181 0.001 . 1 . . . . 105 PRO HB2 . 16362 1 1038 . 1 1 105 105 PRO HB3 H 1 2.181 0.001 . 1 . . . . 105 PRO HB3 . 16362 1 1039 . 1 1 105 105 PRO HD2 H 1 3.071 0.001 . 1 . . . . 105 PRO HD2 . 16362 1 1040 . 1 1 105 105 PRO HD3 H 1 3.071 0.001 . 1 . . . . 105 PRO HD3 . 16362 1 1041 . 1 1 105 105 PRO HG2 H 1 1.700 0.003 . 1 . . . . 105 PRO HG2 . 16362 1 1042 . 1 1 105 105 PRO HG3 H 1 1.700 0.003 . 1 . . . . 105 PRO HG3 . 16362 1 1043 . 1 1 105 105 PRO CA C 13 62.336 0.077 . 1 . . . . 105 PRO CA . 16362 1 1044 . 1 1 105 105 PRO CB C 13 33.540 0.070 . 1 . . . . 105 PRO CB . 16362 1 1045 . 1 1 105 105 PRO CD C 13 50.080 0.138 . 1 . . . . 105 PRO CD . 16362 1 1046 . 1 1 105 105 PRO CG C 13 25.964 0.055 . 1 . . . . 105 PRO CG . 16362 1 1047 . 1 1 108 108 TYR H H 1 8.142 0.008 . 1 . . . . 108 TYR H . 16362 1 1048 . 1 1 108 108 TYR CA C 13 58.927 0.029 . 1 . . . . 108 TYR CA . 16362 1 1049 . 1 1 108 108 TYR N N 15 118.223 0.029 . 1 . . . . 108 TYR N . 16362 1 1050 . 1 1 109 109 ASN H H 1 8.486 0.015 . 1 . . . . 109 ASN H . 16362 1 1051 . 1 1 109 109 ASN HA H 1 4.357 0.005 . 1 . . . . 109 ASN HA . 16362 1 1052 . 1 1 109 109 ASN HB2 H 1 2.243 0.010 . 2 . . . . 109 ASN HB2 . 16362 1 1053 . 1 1 109 109 ASN HB3 H 1 2.518 0.009 . 2 . . . . 109 ASN HB3 . 16362 1 1054 . 1 1 109 109 ASN HD21 H 1 6.899 0.052 . 2 . . . . 109 ASN HD21 . 16362 1 1055 . 1 1 109 109 ASN HD22 H 1 7.660 0.007 . 2 . . . . 109 ASN HD22 . 16362 1 1056 . 1 1 109 109 ASN CA C 13 55.603 0.057 . 1 . . . . 109 ASN CA . 16362 1 1057 . 1 1 109 109 ASN CB C 13 37.549 0.029 . 1 . . . . 109 ASN CB . 16362 1 1058 . 1 1 109 109 ASN N N 15 119.122 0.036 . 1 . . . . 109 ASN N . 16362 1 1059 . 1 1 109 109 ASN ND2 N 15 112.442 0.018 . 1 . . . . 109 ASN ND2 . 16362 1 1060 . 1 1 110 110 TRP H H 1 7.480 0.009 . 1 . . . . 110 TRP H . 16362 1 1061 . 1 1 110 110 TRP HA H 1 4.696 0.000 . 1 . . . . 110 TRP HA . 16362 1 1062 . 1 1 110 110 TRP HD1 H 1 7.583 0.000 . 1 . . . . 110 TRP HD1 . 16362 1 1063 . 1 1 110 110 TRP HE1 H 1 10.035 0.000 . 1 . . . . 110 TRP HE1 . 16362 1 1064 . 1 1 110 110 TRP HE3 H 1 7.586 0.000 . 1 . . . . 110 TRP HE3 . 16362 1 1065 . 1 1 110 110 TRP HH2 H 1 7.269 0.003 . 1 . . . . 110 TRP HH2 . 16362 1 1066 . 1 1 110 110 TRP HZ2 H 1 7.509 0.003 . 1 . . . . 110 TRP HZ2 . 16362 1 1067 . 1 1 110 110 TRP HZ3 H 1 7.202 0.003 . 1 . . . . 110 TRP HZ3 . 16362 1 1068 . 1 1 110 110 TRP CA C 13 57.004 0.035 . 1 . . . . 110 TRP CA . 16362 1 1069 . 1 1 110 110 TRP CB C 13 30.679 0.029 . 1 . . . . 110 TRP CB . 16362 1 1070 . 1 1 110 110 TRP N N 15 115.920 0.029 . 1 . . . . 110 TRP N . 16362 1 1071 . 1 1 110 110 TRP NE1 N 15 128.438 0.000 . 1 . . . . 110 TRP NE1 . 16362 1 1072 . 1 1 111 111 TYR H H 1 7.507 0.008 . 1 . . . . 111 TYR H . 16362 1 1073 . 1 1 111 111 TYR HA H 1 5.233 0.009 . 1 . . . . 111 TYR HA . 16362 1 1074 . 1 1 111 111 TYR HB2 H 1 2.866 0.009 . 2 . . . . 111 TYR HB2 . 16362 1 1075 . 1 1 111 111 TYR HB3 H 1 3.354 0.013 . 2 . . . . 111 TYR HB3 . 16362 1 1076 . 1 1 111 111 TYR HD1 H 1 7.433 0.002 . 1 . . . . 111 TYR HD1 . 16362 1 1077 . 1 1 111 111 TYR HD2 H 1 7.433 0.002 . 1 . . . . 111 TYR HD2 . 16362 1 1078 . 1 1 111 111 TYR HE1 H 1 7.000 0.001 . 1 . . . . 111 TYR HE1 . 16362 1 1079 . 1 1 111 111 TYR HE2 H 1 7.000 0.001 . 1 . . . . 111 TYR HE2 . 16362 1 1080 . 1 1 111 111 TYR CA C 13 56.539 0.053 . 1 . . . . 111 TYR CA . 16362 1 1081 . 1 1 111 111 TYR CB C 13 41.302 0.020 . 1 . . . . 111 TYR CB . 16362 1 1082 . 1 1 111 111 TYR N N 15 117.296 0.019 . 1 . . . . 111 TYR N . 16362 1 1083 . 1 1 112 112 SER H H 1 8.280 0.012 . 1 . . . . 112 SER H . 16362 1 1084 . 1 1 112 112 SER HA H 1 4.221 0.004 . 1 . . . . 112 SER HA . 16362 1 1085 . 1 1 112 112 SER HB2 H 1 4.055 0.008 . 1 . . . . 112 SER HB2 . 16362 1 1086 . 1 1 112 112 SER HB3 H 1 4.055 0.008 . 1 . . . . 112 SER HB3 . 16362 1 1087 . 1 1 112 112 SER CA C 13 57.420 0.070 . 1 . . . . 112 SER CA . 16362 1 1088 . 1 1 112 112 SER CB C 13 62.832 0.051 . 1 . . . . 112 SER CB . 16362 1 1089 . 1 1 112 112 SER N N 15 112.902 0.004 . 1 . . . . 112 SER N . 16362 1 1090 . 1 1 113 113 ASN H H 1 8.606 0.009 . 1 . . . . 113 ASN H . 16362 1 1091 . 1 1 113 113 ASN HA H 1 5.825 0.011 . 1 . . . . 113 ASN HA . 16362 1 1092 . 1 1 113 113 ASN HB2 H 1 2.870 0.013 . 2 . . . . 113 ASN HB2 . 16362 1 1093 . 1 1 113 113 ASN HB3 H 1 3.359 0.006 . 2 . . . . 113 ASN HB3 . 16362 1 1094 . 1 1 113 113 ASN CA C 13 53.371 0.056 . 1 . . . . 113 ASN CA . 16362 1 1095 . 1 1 113 113 ASN CB C 13 38.739 0.017 . 1 . . . . 113 ASN CB . 16362 1 1096 . 1 1 113 113 ASN N N 15 122.389 0.000 . 1 . . . . 113 ASN N . 16362 1 1097 . 1 1 114 114 TRP H H 1 9.014 0.018 . 1 . . . . 114 TRP H . 16362 1 1098 . 1 1 114 114 TRP HA H 1 5.839 0.009 . 1 . . . . 114 TRP HA . 16362 1 1099 . 1 1 114 114 TRP HB2 H 1 2.892 0.009 . 2 . . . . 114 TRP HB2 . 16362 1 1100 . 1 1 114 114 TRP HB3 H 1 3.274 0.008 . 2 . . . . 114 TRP HB3 . 16362 1 1101 . 1 1 114 114 TRP HD1 H 1 7.578 0.002 . 1 . . . . 114 TRP HD1 . 16362 1 1102 . 1 1 114 114 TRP HE3 H 1 7.224 0.002 . 1 . . . . 114 TRP HE3 . 16362 1 1103 . 1 1 114 114 TRP HH2 H 1 7.265 0.001 . 1 . . . . 114 TRP HH2 . 16362 1 1104 . 1 1 114 114 TRP HZ2 H 1 7.508 0.003 . 1 . . . . 114 TRP HZ2 . 16362 1 1105 . 1 1 114 114 TRP HZ3 H 1 7.199 0.004 . 1 . . . . 114 TRP HZ3 . 16362 1 1106 . 1 1 114 114 TRP CA C 13 56.828 0.085 . 1 . . . . 114 TRP CA . 16362 1 1107 . 1 1 114 114 TRP CB C 13 35.916 0.023 . 1 . . . . 114 TRP CB . 16362 1 1108 . 1 1 114 114 TRP N N 15 120.710 0.073 . 1 . . . . 114 TRP N . 16362 1 1109 . 1 1 115 115 TRP H H 1 9.605 0.021 . 1 . . . . 115 TRP H . 16362 1 1110 . 1 1 115 115 TRP HA H 1 5.566 0.008 . 1 . . . . 115 TRP HA . 16362 1 1111 . 1 1 115 115 TRP HB2 H 1 3.722 0.013 . 2 . . . . 115 TRP HB2 . 16362 1 1112 . 1 1 115 115 TRP HB3 H 1 4.114 0.010 . 2 . . . . 115 TRP HB3 . 16362 1 1113 . 1 1 115 115 TRP HD1 H 1 6.726 0.002 . 1 . . . . 115 TRP HD1 . 16362 1 1114 . 1 1 115 115 TRP HE1 H 1 8.949 0.015 . 1 . . . . 115 TRP HE1 . 16362 1 1115 . 1 1 115 115 TRP HE3 H 1 7.395 0.003 . 1 . . . . 115 TRP HE3 . 16362 1 1116 . 1 1 115 115 TRP HH2 H 1 6.661 0.007 . 1 . . . . 115 TRP HH2 . 16362 1 1117 . 1 1 115 115 TRP HZ2 H 1 7.391 0.004 . 1 . . . . 115 TRP HZ2 . 16362 1 1118 . 1 1 115 115 TRP HZ3 H 1 7.166 0.006 . 1 . . . . 115 TRP HZ3 . 16362 1 1119 . 1 1 115 115 TRP CA C 13 56.366 0.039 . 1 . . . . 115 TRP CA . 16362 1 1120 . 1 1 115 115 TRP CB C 13 31.828 0.104 . 1 . . . . 115 TRP CB . 16362 1 1121 . 1 1 115 115 TRP N N 15 116.175 0.042 . 1 . . . . 115 TRP N . 16362 1 1122 . 1 1 115 115 TRP NE1 N 15 128.053 0.000 . 1 . . . . 115 TRP NE1 . 16362 1 1123 . 1 1 116 116 ASP H H 1 8.813 0.017 . 1 . . . . 116 ASP H . 16362 1 1124 . 1 1 116 116 ASP HA H 1 4.679 0.007 . 1 . . . . 116 ASP HA . 16362 1 1125 . 1 1 116 116 ASP HB2 H 1 1.780 0.011 . 2 . . . . 116 ASP HB2 . 16362 1 1126 . 1 1 116 116 ASP HB3 H 1 2.050 0.003 . 2 . . . . 116 ASP HB3 . 16362 1 1127 . 1 1 116 116 ASP CA C 13 53.903 0.058 . 1 . . . . 116 ASP CA . 16362 1 1128 . 1 1 116 116 ASP CB C 13 43.083 0.042 . 1 . . . . 116 ASP CB . 16362 1 1129 . 1 1 116 116 ASP N N 15 111.596 0.042 . 1 . . . . 116 ASP N . 16362 1 1130 . 1 1 117 117 VAL H H 1 9.056 0.005 . 1 . . . . 117 VAL H . 16362 1 1131 . 1 1 117 117 VAL HA H 1 5.280 0.018 . 1 . . . . 117 VAL HA . 16362 1 1132 . 1 1 117 117 VAL HB H 1 2.046 0.009 . 1 . . . . 117 VAL HB . 16362 1 1133 . 1 1 117 117 VAL HG11 H 1 1.072 0.005 . 2 . . . . 117 VAL HG1 . 16362 1 1134 . 1 1 117 117 VAL HG12 H 1 1.072 0.005 . 2 . . . . 117 VAL HG1 . 16362 1 1135 . 1 1 117 117 VAL HG13 H 1 1.072 0.005 . 2 . . . . 117 VAL HG1 . 16362 1 1136 . 1 1 117 117 VAL HG21 H 1 1.357 0.007 . 2 . . . . 117 VAL HG2 . 16362 1 1137 . 1 1 117 117 VAL HG22 H 1 1.357 0.007 . 2 . . . . 117 VAL HG2 . 16362 1 1138 . 1 1 117 117 VAL HG23 H 1 1.357 0.007 . 2 . . . . 117 VAL HG2 . 16362 1 1139 . 1 1 117 117 VAL CA C 13 60.350 0.042 . 1 . . . . 117 VAL CA . 16362 1 1140 . 1 1 117 117 VAL CB C 13 36.583 0.065 . 1 . . . . 117 VAL CB . 16362 1 1141 . 1 1 117 117 VAL CG1 C 13 22.386 0.009 . 2 . . . . 117 VAL CG1 . 16362 1 1142 . 1 1 117 117 VAL CG2 C 13 23.044 0.062 . 2 . . . . 117 VAL CG2 . 16362 1 1143 . 1 1 117 117 VAL N N 15 119.345 0.034 . 1 . . . . 117 VAL N . 16362 1 1144 . 1 1 118 118 LYS H H 1 9.107 0.010 . 1 . . . . 118 LYS H . 16362 1 1145 . 1 1 118 118 LYS HA H 1 4.376 0.005 . 1 . . . . 118 LYS HA . 16362 1 1146 . 1 1 118 118 LYS HB2 H 1 1.335 0.005 . 2 . . . . 118 LYS HB2 . 16362 1 1147 . 1 1 118 118 LYS HB3 H 1 1.369 0.002 . 2 . . . . 118 LYS HB3 . 16362 1 1148 . 1 1 118 118 LYS HD2 H 1 1.423 0.004 . 1 . . . . 118 LYS HD2 . 16362 1 1149 . 1 1 118 118 LYS HD3 H 1 1.423 0.004 . 1 . . . . 118 LYS HD3 . 16362 1 1150 . 1 1 118 118 LYS HE2 H 1 2.571 0.005 . 2 . . . . 118 LYS HE2 . 16362 1 1151 . 1 1 118 118 LYS HE3 H 1 2.750 0.003 . 2 . . . . 118 LYS HE3 . 16362 1 1152 . 1 1 118 118 LYS HG2 H 1 0.823 0.004 . 2 . . . . 118 LYS HG2 . 16362 1 1153 . 1 1 118 118 LYS HG3 H 1 1.093 0.002 . 2 . . . . 118 LYS HG3 . 16362 1 1154 . 1 1 118 118 LYS CA C 13 55.939 0.083 . 1 . . . . 118 LYS CA . 16362 1 1155 . 1 1 118 118 LYS CB C 13 38.690 0.054 . 1 . . . . 118 LYS CB . 16362 1 1156 . 1 1 118 118 LYS CD C 13 29.101 0.044 . 1 . . . . 118 LYS CD . 16362 1 1157 . 1 1 118 118 LYS CE C 13 42.009 0.040 . 1 . . . . 118 LYS CE . 16362 1 1158 . 1 1 118 118 LYS CG C 13 25.812 0.055 . 1 . . . . 118 LYS CG . 16362 1 1159 . 1 1 118 118 LYS N N 15 125.965 0.116 . 1 . . . . 118 LYS N . 16362 1 1160 . 1 1 119 119 ILE H H 1 8.471 0.007 . 1 . . . . 119 ILE H . 16362 1 1161 . 1 1 119 119 ILE HA H 1 5.078 0.007 . 1 . . . . 119 ILE HA . 16362 1 1162 . 1 1 119 119 ILE HB H 1 1.552 0.009 . 1 . . . . 119 ILE HB . 16362 1 1163 . 1 1 119 119 ILE HD11 H 1 0.740 0.009 . 1 . . . . 119 ILE HD1 . 16362 1 1164 . 1 1 119 119 ILE HD12 H 1 0.740 0.009 . 1 . . . . 119 ILE HD1 . 16362 1 1165 . 1 1 119 119 ILE HD13 H 1 0.740 0.009 . 1 . . . . 119 ILE HD1 . 16362 1 1166 . 1 1 119 119 ILE HG12 H 1 0.902 0.009 . 1 . . . . 119 ILE HG12 . 16362 1 1167 . 1 1 119 119 ILE HG13 H 1 0.902 0.000 . 1 . . . . 119 ILE HG13 . 16362 1 1168 . 1 1 119 119 ILE HG21 H 1 0.199 0.000 . 1 . . . . 119 ILE HG2 . 16362 1 1169 . 1 1 119 119 ILE HG22 H 1 0.199 0.000 . 1 . . . . 119 ILE HG2 . 16362 1 1170 . 1 1 119 119 ILE HG23 H 1 0.199 0.000 . 1 . . . . 119 ILE HG2 . 16362 1 1171 . 1 1 119 119 ILE CA C 13 59.471 0.059 . 1 . . . . 119 ILE CA . 16362 1 1172 . 1 1 119 119 ILE CB C 13 38.225 0.054 . 1 . . . . 119 ILE CB . 16362 1 1173 . 1 1 119 119 ILE CD1 C 13 15.015 0.039 . 1 . . . . 119 ILE CD1 . 16362 1 1174 . 1 1 119 119 ILE CG1 C 13 28.716 0.049 . 1 . . . . 119 ILE CG1 . 16362 1 1175 . 1 1 119 119 ILE CG2 C 13 18.164 0.100 . 1 . . . . 119 ILE CG2 . 16362 1 1176 . 1 1 119 119 ILE N N 15 120.919 0.043 . 1 . . . . 119 ILE N . 16362 1 1177 . 1 1 120 120 TYR H H 1 9.519 0.013 . 1 . . . . 120 TYR H . 16362 1 1178 . 1 1 120 120 TYR HA H 1 4.553 0.009 . 1 . . . . 120 TYR HA . 16362 1 1179 . 1 1 120 120 TYR HB2 H 1 2.351 0.004 . 2 . . . . 120 TYR HB2 . 16362 1 1180 . 1 1 120 120 TYR HB3 H 1 2.967 0.007 . 2 . . . . 120 TYR HB3 . 16362 1 1181 . 1 1 120 120 TYR HD1 H 1 6.960 0.007 . 1 . . . . 120 TYR HD1 . 16362 1 1182 . 1 1 120 120 TYR HD2 H 1 6.960 0.007 . 1 . . . . 120 TYR HD2 . 16362 1 1183 . 1 1 120 120 TYR HE1 H 1 6.632 0.010 . 1 . . . . 120 TYR HE1 . 16362 1 1184 . 1 1 120 120 TYR HE2 H 1 6.632 0.010 . 1 . . . . 120 TYR HE2 . 16362 1 1185 . 1 1 120 120 TYR CA C 13 56.475 0.052 . 1 . . . . 120 TYR CA . 16362 1 1186 . 1 1 120 120 TYR CB C 13 40.984 0.072 . 1 . . . . 120 TYR CB . 16362 1 1187 . 1 1 120 120 TYR N N 15 126.700 0.027 . 1 . . . . 120 TYR N . 16362 1 1188 . 1 1 121 121 SER H H 1 8.644 0.005 . 1 . . . . 121 SER H . 16362 1 1189 . 1 1 121 121 SER HA H 1 4.679 0.012 . 1 . . . . 121 SER HA . 16362 1 1190 . 1 1 121 121 SER HB2 H 1 3.952 0.006 . 2 . . . . 121 SER HB2 . 16362 1 1191 . 1 1 121 121 SER HB3 H 1 3.989 0.004 . 2 . . . . 121 SER HB3 . 16362 1 1192 . 1 1 121 121 SER CA C 13 58.265 0.066 . 1 . . . . 121 SER CA . 16362 1 1193 . 1 1 121 121 SER CB C 13 63.500 0.063 . 1 . . . . 121 SER CB . 16362 1 1194 . 1 1 121 121 SER N N 15 117.499 0.050 . 1 . . . . 121 SER N . 16362 1 1195 . 1 1 122 122 GLY H H 1 8.509 0.010 . 1 . . . . 122 GLY H . 16362 1 1196 . 1 1 122 122 GLY HA2 H 1 3.969 0.000 . 2 . . . . 122 GLY HA2 . 16362 1 1197 . 1 1 122 122 GLY HA3 H 1 4.099 0.005 . 2 . . . . 122 GLY HA3 . 16362 1 1198 . 1 1 122 122 GLY CA C 13 45.437 0.073 . 1 . . . . 122 GLY CA . 16362 1 1199 . 1 1 122 122 GLY N N 15 113.205 0.026 . 1 . . . . 122 GLY N . 16362 1 1200 . 1 1 123 123 LYS H H 1 8.388 0.004 . 1 . . . . 123 LYS H . 16362 1 1201 . 1 1 123 123 LYS HA H 1 3.898 0.006 . 1 . . . . 123 LYS HA . 16362 1 1202 . 1 1 123 123 LYS HB2 H 1 1.121 0.006 . 2 . . . . 123 LYS HB2 . 16362 1 1203 . 1 1 123 123 LYS HB3 H 1 1.653 0.004 . 2 . . . . 123 LYS HB3 . 16362 1 1204 . 1 1 123 123 LYS HD2 H 1 1.186 0.002 . 2 . . . . 123 LYS HD2 . 16362 1 1205 . 1 1 123 123 LYS HD3 H 1 1.285 0.003 . 2 . . . . 123 LYS HD3 . 16362 1 1206 . 1 1 123 123 LYS HE2 H 1 2.073 0.003 . 2 . . . . 123 LYS HE2 . 16362 1 1207 . 1 1 123 123 LYS HE3 H 1 2.285 0.003 . 2 . . . . 123 LYS HE3 . 16362 1 1208 . 1 1 123 123 LYS HG2 H 1 0.423 0.007 . 2 . . . . 123 LYS HG2 . 16362 1 1209 . 1 1 123 123 LYS HG3 H 1 0.825 0.006 . 2 . . . . 123 LYS HG3 . 16362 1 1210 . 1 1 123 123 LYS CA C 13 55.932 0.054 . 1 . . . . 123 LYS CA . 16362 1 1211 . 1 1 123 123 LYS CB C 13 32.583 0.049 . 1 . . . . 123 LYS CB . 16362 1 1212 . 1 1 123 123 LYS CD C 13 28.582 0.058 . 1 . . . . 123 LYS CD . 16362 1 1213 . 1 1 123 123 LYS CE C 13 40.849 0.052 . 1 . . . . 123 LYS CE . 16362 1 1214 . 1 1 123 123 LYS CG C 13 25.286 0.083 . 1 . . . . 123 LYS CG . 16362 1 1215 . 1 1 123 123 LYS N N 15 121.677 0.031 . 1 . . . . 123 LYS N . 16362 1 1216 . 1 1 124 124 ARG H H 1 8.340 0.009 . 1 . . . . 124 ARG H . 16362 1 1217 . 1 1 124 124 ARG HA H 1 4.439 0.006 . 1 . . . . 124 ARG HA . 16362 1 1218 . 1 1 124 124 ARG HB2 H 1 1.277 0.005 . 2 . . . . 124 ARG HB2 . 16362 1 1219 . 1 1 124 124 ARG HB3 H 1 1.305 0.002 . 2 . . . . 124 ARG HB3 . 16362 1 1220 . 1 1 124 124 ARG HD2 H 1 2.634 0.007 . 2 . . . . 124 ARG HD2 . 16362 1 1221 . 1 1 124 124 ARG HD3 H 1 2.819 0.005 . 2 . . . . 124 ARG HD3 . 16362 1 1222 . 1 1 124 124 ARG HG2 H 1 1.097 0.005 . 2 . . . . 124 ARG HG2 . 16362 1 1223 . 1 1 124 124 ARG HG3 H 1 1.249 0.005 . 2 . . . . 124 ARG HG3 . 16362 1 1224 . 1 1 124 124 ARG CA C 13 53.560 0.094 . 1 . . . . 124 ARG CA . 16362 1 1225 . 1 1 124 124 ARG CB C 13 31.932 0.040 . 1 . . . . 124 ARG CB . 16362 1 1226 . 1 1 124 124 ARG CD C 13 42.355 0.090 . 1 . . . . 124 ARG CD . 16362 1 1227 . 1 1 124 124 ARG CG C 13 26.163 0.046 . 1 . . . . 124 ARG CG . 16362 1 1228 . 1 1 124 124 ARG N N 15 131.602 0.037 . 1 . . . . 124 ARG N . 16362 1 1229 . 1 1 125 125 ARG H H 1 7.883 0.005 . 1 . . . . 125 ARG H . 16362 1 1230 . 1 1 125 125 ARG HA H 1 3.862 0.009 . 1 . . . . 125 ARG HA . 16362 1 1231 . 1 1 125 125 ARG HB2 H 1 1.480 0.004 . 2 . . . . 125 ARG HB2 . 16362 1 1232 . 1 1 125 125 ARG HB3 H 1 1.701 0.007 . 2 . . . . 125 ARG HB3 . 16362 1 1233 . 1 1 125 125 ARG HD2 H 1 3.056 0.002 . 2 . . . . 125 ARG HD2 . 16362 1 1234 . 1 1 125 125 ARG HD3 H 1 3.209 0.051 . 2 . . . . 125 ARG HD3 . 16362 1 1235 . 1 1 125 125 ARG HG2 H 1 1.386 0.004 . 2 . . . . 125 ARG HG2 . 16362 1 1236 . 1 1 125 125 ARG HG3 H 1 1.496 0.006 . 2 . . . . 125 ARG HG3 . 16362 1 1237 . 1 1 125 125 ARG CA C 13 56.288 0.059 . 1 . . . . 125 ARG CA . 16362 1 1238 . 1 1 125 125 ARG CB C 13 30.581 0.039 . 1 . . . . 125 ARG CB . 16362 1 1239 . 1 1 125 125 ARG CD C 13 43.096 0.015 . 1 . . . . 125 ARG CD . 16362 1 1240 . 1 1 125 125 ARG CG C 13 28.165 0.068 . 1 . . . . 125 ARG CG . 16362 1 1241 . 1 1 125 125 ARG N N 15 120.530 0.035 . 1 . . . . 125 ARG N . 16362 1 1242 . 1 1 126 126 ALA H H 1 9.226 0.018 . 1 . . . . 126 ALA H . 16362 1 1243 . 1 1 126 126 ALA HA H 1 4.386 0.012 . 1 . . . . 126 ALA HA . 16362 1 1244 . 1 1 126 126 ALA HB1 H 1 1.160 0.006 . 1 . . . . 126 ALA HB . 16362 1 1245 . 1 1 126 126 ALA HB2 H 1 1.160 0.006 . 1 . . . . 126 ALA HB . 16362 1 1246 . 1 1 126 126 ALA HB3 H 1 1.160 0.006 . 1 . . . . 126 ALA HB . 16362 1 1247 . 1 1 126 126 ALA CA C 13 52.521 0.068 . 1 . . . . 126 ALA CA . 16362 1 1248 . 1 1 126 126 ALA CB C 13 19.215 0.061 . 1 . . . . 126 ALA CB . 16362 1 1249 . 1 1 126 126 ALA N N 15 123.575 0.057 . 1 . . . . 126 ALA N . 16362 1 1250 . 1 1 127 127 ASP H H 1 6.943 0.013 . 1 . . . . 127 ASP H . 16362 1 1251 . 1 1 127 127 ASP HA H 1 3.702 0.006 . 1 . . . . 127 ASP HA . 16362 1 1252 . 1 1 127 127 ASP HB2 H 1 2.735 0.007 . 2 . . . . 127 ASP HB2 . 16362 1 1253 . 1 1 127 127 ASP HB3 H 1 2.803 0.007 . 2 . . . . 127 ASP HB3 . 16362 1 1254 . 1 1 127 127 ASP CA C 13 51.942 0.052 . 1 . . . . 127 ASP CA . 16362 1 1255 . 1 1 127 127 ASP CB C 13 40.729 0.060 . 1 . . . . 127 ASP CB . 16362 1 1256 . 1 1 127 127 ASP N N 15 120.999 0.019 . 1 . . . . 127 ASP N . 16362 1 1257 . 1 1 128 128 GLN H H 1 8.161 0.004 . 1 . . . . 128 GLN H . 16362 1 1258 . 1 1 128 128 GLN HA H 1 3.702 0.008 . 1 . . . . 128 GLN HA . 16362 1 1259 . 1 1 128 128 GLN HB2 H 1 1.798 0.005 . 2 . . . . 128 GLN HB2 . 16362 1 1260 . 1 1 128 128 GLN HB3 H 1 2.079 0.006 . 2 . . . . 128 GLN HB3 . 16362 1 1261 . 1 1 128 128 GLN HE21 H 1 6.752 0.004 . 2 . . . . 128 GLN HE21 . 16362 1 1262 . 1 1 128 128 GLN HE22 H 1 8.039 0.019 . 2 . . . . 128 GLN HE22 . 16362 1 1263 . 1 1 128 128 GLN HG2 H 1 2.357 0.011 . 2 . . . . 128 GLN HG2 . 16362 1 1264 . 1 1 128 128 GLN HG3 H 1 2.466 0.004 . 2 . . . . 128 GLN HG3 . 16362 1 1265 . 1 1 128 128 GLN CA C 13 59.578 0.036 . 1 . . . . 128 GLN CA . 16362 1 1266 . 1 1 128 128 GLN CB C 13 27.635 0.058 . 1 . . . . 128 GLN CB . 16362 1 1267 . 1 1 128 128 GLN CG C 13 33.120 0.149 . 1 . . . . 128 GLN CG . 16362 1 1268 . 1 1 128 128 GLN N N 15 119.118 0.029 . 1 . . . . 128 GLN N . 16362 1 1269 . 1 1 128 128 GLN NE2 N 15 111.935 0.096 . 1 . . . . 128 GLN NE2 . 16362 1 1270 . 1 1 129 129 GLY H H 1 7.903 0.004 . 1 . . . . 129 GLY H . 16362 1 1271 . 1 1 129 129 GLY HA2 H 1 3.772 0.009 . 2 . . . . 129 GLY HA2 . 16362 1 1272 . 1 1 129 129 GLY HA3 H 1 3.852 0.001 . 2 . . . . 129 GLY HA3 . 16362 1 1273 . 1 1 129 129 GLY CA C 13 46.928 0.331 . 1 . . . . 129 GLY CA . 16362 1 1274 . 1 1 129 129 GLY N N 15 107.082 0.043 . 1 . . . . 129 GLY N . 16362 1 1275 . 1 1 130 130 MET H H 1 8.172 0.019 . 1 . . . . 130 MET H . 16362 1 1276 . 1 1 130 130 MET HA H 1 3.762 0.008 . 1 . . . . 130 MET HA . 16362 1 1277 . 1 1 130 130 MET HB2 H 1 1.650 0.005 . 2 . . . . 130 MET HB2 . 16362 1 1278 . 1 1 130 130 MET HB3 H 1 2.199 0.005 . 2 . . . . 130 MET HB3 . 16362 1 1279 . 1 1 130 130 MET HG2 H 1 2.095 0.000 . 1 . . . . 130 MET HG2 . 16362 1 1280 . 1 1 130 130 MET HG3 H 1 2.095 0.000 . 1 . . . . 130 MET HG3 . 16362 1 1281 . 1 1 130 130 MET CA C 13 59.385 0.074 . 1 . . . . 130 MET CA . 16362 1 1282 . 1 1 130 130 MET CB C 13 34.718 0.000 . 1 . . . . 130 MET CB . 16362 1 1283 . 1 1 130 130 MET N N 15 124.489 0.068 . 1 . . . . 130 MET N . 16362 1 1284 . 1 1 131 131 TYR H H 1 8.041 0.020 . 1 . . . . 131 TYR H . 16362 1 1285 . 1 1 131 131 TYR HA H 1 3.854 0.012 . 1 . . . . 131 TYR HA . 16362 1 1286 . 1 1 131 131 TYR HB2 H 1 3.035 0.008 . 2 . . . . 131 TYR HB2 . 16362 1 1287 . 1 1 131 131 TYR HB3 H 1 3.205 0.013 . 2 . . . . 131 TYR HB3 . 16362 1 1288 . 1 1 131 131 TYR HD1 H 1 6.877 0.005 . 1 . . . . 131 TYR HD1 . 16362 1 1289 . 1 1 131 131 TYR HD2 H 1 6.877 0.005 . 1 . . . . 131 TYR HD2 . 16362 1 1290 . 1 1 131 131 TYR HE1 H 1 6.426 0.001 . 1 . . . . 131 TYR HE1 . 16362 1 1291 . 1 1 131 131 TYR HE2 H 1 6.426 0.001 . 1 . . . . 131 TYR HE2 . 16362 1 1292 . 1 1 131 131 TYR CA C 13 62.316 0.096 . 1 . . . . 131 TYR CA . 16362 1 1293 . 1 1 131 131 TYR CB C 13 37.408 0.074 . 1 . . . . 131 TYR CB . 16362 1 1294 . 1 1 131 131 TYR N N 15 117.018 0.035 . 1 . . . . 131 TYR N . 16362 1 1295 . 1 1 132 132 GLU H H 1 8.798 0.010 . 1 . . . . 132 GLU H . 16362 1 1296 . 1 1 132 132 GLU HA H 1 3.447 0.016 . 1 . . . . 132 GLU HA . 16362 1 1297 . 1 1 132 132 GLU HB2 H 1 2.214 0.004 . 1 . . . . 132 GLU HB2 . 16362 1 1298 . 1 1 132 132 GLU HB3 H 1 2.214 0.004 . 1 . . . . 132 GLU HB3 . 16362 1 1299 . 1 1 132 132 GLU HG2 H 1 2.442 0.002 . 2 . . . . 132 GLU HG2 . 16362 1 1300 . 1 1 132 132 GLU HG3 H 1 2.922 0.016 . 2 . . . . 132 GLU HG3 . 16362 1 1301 . 1 1 132 132 GLU CA C 13 59.876 0.097 . 1 . . . . 132 GLU CA . 16362 1 1302 . 1 1 132 132 GLU CB C 13 28.449 0.227 . 1 . . . . 132 GLU CB . 16362 1 1303 . 1 1 132 132 GLU CG C 13 35.394 0.053 . 1 . . . . 132 GLU CG . 16362 1 1304 . 1 1 132 132 GLU N N 15 118.223 0.086 . 1 . . . . 132 GLU N . 16362 1 1305 . 1 1 133 133 ASP H H 1 7.984 0.010 . 1 . . . . 133 ASP H . 16362 1 1306 . 1 1 133 133 ASP HA H 1 4.243 0.012 . 1 . . . . 133 ASP HA . 16362 1 1307 . 1 1 133 133 ASP HB2 H 1 2.809 0.008 . 2 . . . . 133 ASP HB2 . 16362 1 1308 . 1 1 133 133 ASP HB3 H 1 2.864 0.007 . 2 . . . . 133 ASP HB3 . 16362 1 1309 . 1 1 133 133 ASP CA C 13 57.436 0.098 . 1 . . . . 133 ASP CA . 16362 1 1310 . 1 1 133 133 ASP CB C 13 42.387 0.019 . 1 . . . . 133 ASP CB . 16362 1 1311 . 1 1 133 133 ASP N N 15 119.059 0.103 . 1 . . . . 133 ASP N . 16362 1 1312 . 1 1 134 134 LEU H H 1 7.646 0.041 . 1 . . . . 134 LEU H . 16362 1 1313 . 1 1 134 134 LEU HA H 1 4.062 0.004 . 1 . . . . 134 LEU HA . 16362 1 1314 . 1 1 134 134 LEU HB2 H 1 1.075 0.012 . 2 . . . . 134 LEU HB2 . 16362 1 1315 . 1 1 134 134 LEU HB3 H 1 1.703 0.013 . 2 . . . . 134 LEU HB3 . 16362 1 1316 . 1 1 134 134 LEU HD11 H 1 0.721 0.005 . 1 . . . . 134 LEU HD1 . 16362 1 1317 . 1 1 134 134 LEU HD12 H 1 0.721 0.005 . 1 . . . . 134 LEU HD1 . 16362 1 1318 . 1 1 134 134 LEU HD13 H 1 0.721 0.005 . 1 . . . . 134 LEU HD1 . 16362 1 1319 . 1 1 134 134 LEU HD21 H 1 0.721 0.005 . 1 . . . . 134 LEU HD2 . 16362 1 1320 . 1 1 134 134 LEU HD22 H 1 0.721 0.005 . 1 . . . . 134 LEU HD2 . 16362 1 1321 . 1 1 134 134 LEU HD23 H 1 0.721 0.005 . 1 . . . . 134 LEU HD2 . 16362 1 1322 . 1 1 134 134 LEU N N 15 115.432 0.032 . 1 . . . . 134 LEU N . 16362 1 1323 . 1 1 135 135 TYR H H 1 9.041 0.015 . 1 . . . . 135 TYR H . 16362 1 1324 . 1 1 135 135 TYR HA H 1 3.537 0.028 . 1 . . . . 135 TYR HA . 16362 1 1325 . 1 1 135 135 TYR HB2 H 1 1.741 0.003 . 2 . . . . 135 TYR HB2 . 16362 1 1326 . 1 1 135 135 TYR HB3 H 1 2.136 0.013 . 2 . . . . 135 TYR HB3 . 16362 1 1327 . 1 1 135 135 TYR HD1 H 1 5.885 0.005 . 1 . . . . 135 TYR HD1 . 16362 1 1328 . 1 1 135 135 TYR HD2 H 1 5.885 0.005 . 1 . . . . 135 TYR HD2 . 16362 1 1329 . 1 1 135 135 TYR HE1 H 1 6.440 0.004 . 1 . . . . 135 TYR HE1 . 16362 1 1330 . 1 1 135 135 TYR HE2 H 1 6.440 0.004 . 1 . . . . 135 TYR HE2 . 16362 1 1331 . 1 1 135 135 TYR CA C 13 61.862 0.077 . 1 . . . . 135 TYR CA . 16362 1 1332 . 1 1 135 135 TYR CB C 13 38.881 0.089 . 1 . . . . 135 TYR CB . 16362 1 1333 . 1 1 135 135 TYR N N 15 120.908 0.051 . 1 . . . . 135 TYR N . 16362 1 1334 . 1 1 136 136 TYR H H 1 7.923 0.022 . 1 . . . . 136 TYR H . 16362 1 1335 . 1 1 136 136 TYR HA H 1 4.276 0.005 . 1 . . . . 136 TYR HA . 16362 1 1336 . 1 1 136 136 TYR HB2 H 1 2.823 0.005 . 2 . . . . 136 TYR HB2 . 16362 1 1337 . 1 1 136 136 TYR HB3 H 1 3.216 0.007 . 2 . . . . 136 TYR HB3 . 16362 1 1338 . 1 1 136 136 TYR HD1 H 1 7.143 0.006 . 1 . . . . 136 TYR HD1 . 16362 1 1339 . 1 1 136 136 TYR HD2 H 1 7.143 0.006 . 1 . . . . 136 TYR HD2 . 16362 1 1340 . 1 1 136 136 TYR HE1 H 1 6.833 0.004 . 1 . . . . 136 TYR HE1 . 16362 1 1341 . 1 1 136 136 TYR HE2 H 1 6.833 0.004 . 1 . . . . 136 TYR HE2 . 16362 1 1342 . 1 1 136 136 TYR CA C 13 57.925 0.098 . 1 . . . . 136 TYR CA . 16362 1 1343 . 1 1 136 136 TYR CB C 13 35.906 0.076 . 1 . . . . 136 TYR CB . 16362 1 1344 . 1 1 136 136 TYR N N 15 111.806 0.024 . 1 . . . . 136 TYR N . 16362 1 1345 . 1 1 137 137 GLY H H 1 6.591 0.017 . 1 . . . . 137 GLY H . 16362 1 1346 . 1 1 137 137 GLY HA2 H 1 3.458 0.016 . 2 . . . . 137 GLY HA2 . 16362 1 1347 . 1 1 137 137 GLY HA3 H 1 3.975 0.358 . 2 . . . . 137 GLY HA3 . 16362 1 1348 . 1 1 137 137 GLY CA C 13 46.336 0.058 . 1 . . . . 137 GLY CA . 16362 1 1349 . 1 1 137 137 GLY N N 15 107.579 0.057 . 1 . . . . 137 GLY N . 16362 1 1350 . 1 1 138 138 ASN H H 1 8.597 0.007 . 1 . . . . 138 ASN H . 16362 1 1351 . 1 1 138 138 ASN HA H 1 4.606 0.005 . 1 . . . . 138 ASN HA . 16362 1 1352 . 1 1 138 138 ASN HB2 H 1 2.545 0.007 . 2 . . . . 138 ASN HB2 . 16362 1 1353 . 1 1 138 138 ASN HB3 H 1 2.659 0.011 . 2 . . . . 138 ASN HB3 . 16362 1 1354 . 1 1 138 138 ASN HD21 H 1 6.670 0.007 . 2 . . . . 138 ASN HD21 . 16362 1 1355 . 1 1 138 138 ASN HD22 H 1 7.431 0.003 . 2 . . . . 138 ASN HD22 . 16362 1 1356 . 1 1 138 138 ASN CA C 13 52.108 0.088 . 1 . . . . 138 ASN CA . 16362 1 1357 . 1 1 138 138 ASN CB C 13 38.109 0.095 . 1 . . . . 138 ASN CB . 16362 1 1358 . 1 1 138 138 ASN N N 15 121.426 0.032 . 1 . . . . 138 ASN N . 16362 1 1359 . 1 1 138 138 ASN ND2 N 15 112.130 0.012 . 1 . . . . 138 ASN ND2 . 16362 1 1360 . 1 1 139 139 PRO HA H 1 3.991 0.001 . 1 . . . . 139 PRO HA . 16362 1 1361 . 1 1 139 139 PRO CA C 13 62.777 0.056 . 1 . . . . 139 PRO CA . 16362 1 1362 . 1 1 139 139 PRO CB C 13 32.324 0.061 . 1 . . . . 139 PRO CB . 16362 1 1363 . 1 1 139 139 PRO CG C 13 25.552 0.000 . 1 . . . . 139 PRO CG . 16362 1 1364 . 1 1 140 140 TYR H H 1 8.277 0.008 . 1 . . . . 140 TYR H . 16362 1 1365 . 1 1 140 140 TYR HA H 1 4.519 0.005 . 1 . . . . 140 TYR HA . 16362 1 1366 . 1 1 140 140 TYR HB2 H 1 2.930 0.006 . 1 . . . . 140 TYR HB2 . 16362 1 1367 . 1 1 140 140 TYR HB3 H 1 2.930 0.006 . 1 . . . . 140 TYR HB3 . 16362 1 1368 . 1 1 140 140 TYR HD1 H 1 5.989 0.002 . 1 . . . . 140 TYR HD1 . 16362 1 1369 . 1 1 140 140 TYR HD2 H 1 5.989 0.002 . 1 . . . . 140 TYR HD2 . 16362 1 1370 . 1 1 140 140 TYR HE1 H 1 6.548 0.002 . 1 . . . . 140 TYR HE1 . 16362 1 1371 . 1 1 140 140 TYR HE2 H 1 6.548 0.002 . 1 . . . . 140 TYR HE2 . 16362 1 1372 . 1 1 140 140 TYR CA C 13 57.549 0.069 . 1 . . . . 140 TYR CA . 16362 1 1373 . 1 1 140 140 TYR CB C 13 39.289 0.059 . 1 . . . . 140 TYR CB . 16362 1 1374 . 1 1 140 140 TYR N N 15 116.865 0.059 . 1 . . . . 140 TYR N . 16362 1 1375 . 1 1 141 141 ARG H H 1 8.646 0.010 . 1 . . . . 141 ARG H . 16362 1 1376 . 1 1 141 141 ARG HA H 1 4.098 0.007 . 1 . . . . 141 ARG HA . 16362 1 1377 . 1 1 141 141 ARG HB2 H 1 1.449 0.007 . 1 . . . . 141 ARG HB2 . 16362 1 1378 . 1 1 141 141 ARG HB3 H 1 1.449 0.007 . 1 . . . . 141 ARG HB3 . 16362 1 1379 . 1 1 141 141 ARG HD2 H 1 2.915 0.007 . 2 . . . . 141 ARG HD2 . 16362 1 1380 . 1 1 141 141 ARG HD3 H 1 2.981 0.002 . 2 . . . . 141 ARG HD3 . 16362 1 1381 . 1 1 141 141 ARG HG2 H 1 0.789 0.006 . 2 . . . . 141 ARG HG2 . 16362 1 1382 . 1 1 141 141 ARG HG3 H 1 0.966 0.005 . 2 . . . . 141 ARG HG3 . 16362 1 1383 . 1 1 141 141 ARG CA C 13 55.445 0.089 . 1 . . . . 141 ARG CA . 16362 1 1384 . 1 1 141 141 ARG CB C 13 32.134 0.054 . 1 . . . . 141 ARG CB . 16362 1 1385 . 1 1 141 141 ARG CD C 13 43.034 0.048 . 1 . . . . 141 ARG CD . 16362 1 1386 . 1 1 141 141 ARG CG C 13 28.408 0.042 . 1 . . . . 141 ARG CG . 16362 1 1387 . 1 1 141 141 ARG N N 15 120.973 0.055 . 1 . . . . 141 ARG N . 16362 1 1388 . 1 1 142 142 GLY H H 1 8.223 0.018 . 1 . . . . 142 GLY H . 16362 1 1389 . 1 1 142 142 GLY HA2 H 1 3.233 0.011 . 2 . . . . 142 GLY HA2 . 16362 1 1390 . 1 1 142 142 GLY HA3 H 1 4.287 0.019 . 2 . . . . 142 GLY HA3 . 16362 1 1391 . 1 1 142 142 GLY CA C 13 47.772 0.050 . 1 . . . . 142 GLY CA . 16362 1 1392 . 1 1 142 142 GLY N N 15 110.331 0.037 . 1 . . . . 142 GLY N . 16362 1 1393 . 1 1 143 143 ASP H H 1 8.134 0.007 . 1 . . . . 143 ASP H . 16362 1 1394 . 1 1 143 143 ASP HA H 1 4.630 0.007 . 1 . . . . 143 ASP HA . 16362 1 1395 . 1 1 143 143 ASP HB2 H 1 2.278 0.007 . 2 . . . . 143 ASP HB2 . 16362 1 1396 . 1 1 143 143 ASP HB3 H 1 3.313 0.007 . 2 . . . . 143 ASP HB3 . 16362 1 1397 . 1 1 143 143 ASP CA C 13 51.944 0.039 . 1 . . . . 143 ASP CA . 16362 1 1398 . 1 1 143 143 ASP CB C 13 41.366 0.079 . 1 . . . . 143 ASP CB . 16362 1 1399 . 1 1 143 143 ASP N N 15 124.405 0.043 . 1 . . . . 143 ASP N . 16362 1 1400 . 1 1 144 144 ASN H H 1 8.879 0.010 . 1 . . . . 144 ASN H . 16362 1 1401 . 1 1 144 144 ASN HA H 1 3.923 0.008 . 1 . . . . 144 ASN HA . 16362 1 1402 . 1 1 144 144 ASN HB2 H 1 3.073 0.002 . 2 . . . . 144 ASN HB2 . 16362 1 1403 . 1 1 144 144 ASN HB3 H 1 3.368 0.010 . 2 . . . . 144 ASN HB3 . 16362 1 1404 . 1 1 144 144 ASN HD21 H 1 7.351 0.007 . 2 . . . . 144 ASN HD21 . 16362 1 1405 . 1 1 144 144 ASN HD22 H 1 7.505 0.002 . 2 . . . . 144 ASN HD22 . 16362 1 1406 . 1 1 144 144 ASN CA C 13 55.613 0.059 . 1 . . . . 144 ASN CA . 16362 1 1407 . 1 1 144 144 ASN CB C 13 38.211 0.034 . 1 . . . . 144 ASN CB . 16362 1 1408 . 1 1 144 144 ASN N N 15 111.236 0.025 . 1 . . . . 144 ASN N . 16362 1 1409 . 1 1 144 144 ASN ND2 N 15 114.830 0.032 . 1 . . . . 144 ASN ND2 . 16362 1 1410 . 1 1 145 145 GLY H H 1 8.319 0.026 . 1 . . . . 145 GLY H . 16362 1 1411 . 1 1 145 145 GLY HA2 H 1 3.579 0.006 . 2 . . . . 145 GLY HA2 . 16362 1 1412 . 1 1 145 145 GLY HA3 H 1 4.509 0.013 . 2 . . . . 145 GLY HA3 . 16362 1 1413 . 1 1 145 145 GLY CA C 13 43.306 0.030 . 1 . . . . 145 GLY CA . 16362 1 1414 . 1 1 145 145 GLY N N 15 106.608 0.027 . 1 . . . . 145 GLY N . 16362 1 1415 . 1 1 146 146 TRP H H 1 8.457 0.004 . 1 . . . . 146 TRP H . 16362 1 1416 . 1 1 146 146 TRP HA H 1 4.976 0.009 . 1 . . . . 146 TRP HA . 16362 1 1417 . 1 1 146 146 TRP HB2 H 1 2.999 0.015 . 1 . . . . 146 TRP HB2 . 16362 1 1418 . 1 1 146 146 TRP HB3 H 1 2.999 0.015 . 1 . . . . 146 TRP HB3 . 16362 1 1419 . 1 1 146 146 TRP HD1 H 1 7.739 0.002 . 1 . . . . 146 TRP HD1 . 16362 1 1420 . 1 1 146 146 TRP HE1 H 1 10.028 0.018 . 1 . . . . 146 TRP HE1 . 16362 1 1421 . 1 1 146 146 TRP HE3 H 1 7.389 0.004 . 1 . . . . 146 TRP HE3 . 16362 1 1422 . 1 1 146 146 TRP HH2 H 1 6.909 0.005 . 1 . . . . 146 TRP HH2 . 16362 1 1423 . 1 1 146 146 TRP HZ2 H 1 7.183 0.016 . 1 . . . . 146 TRP HZ2 . 16362 1 1424 . 1 1 146 146 TRP HZ3 H 1 6.930 0.005 . 1 . . . . 146 TRP HZ3 . 16362 1 1425 . 1 1 146 146 TRP CA C 13 57.194 0.039 . 1 . . . . 146 TRP CA . 16362 1 1426 . 1 1 146 146 TRP CB C 13 29.786 0.038 . 1 . . . . 146 TRP CB . 16362 1 1427 . 1 1 146 146 TRP N N 15 120.335 0.031 . 1 . . . . 146 TRP N . 16362 1 1428 . 1 1 146 146 TRP NE1 N 15 129.660 0.000 . 1 . . . . 146 TRP NE1 . 16362 1 1429 . 1 1 147 147 HIS H H 1 10.001 0.017 . 1 . . . . 147 HIS H . 16362 1 1430 . 1 1 147 147 HIS HA H 1 4.952 0.009 . 1 . . . . 147 HIS HA . 16362 1 1431 . 1 1 147 147 HIS HB2 H 1 2.294 0.007 . 2 . . . . 147 HIS HB2 . 16362 1 1432 . 1 1 147 147 HIS HB3 H 1 2.632 0.008 . 2 . . . . 147 HIS HB3 . 16362 1 1433 . 1 1 147 147 HIS HD1 H 1 7.956 0.002 . 1 . . . . 147 HIS HD1 . 16362 1 1434 . 1 1 147 147 HIS HE1 H 1 7.158 0.005 . 1 . . . . 147 HIS HE1 . 16362 1 1435 . 1 1 147 147 HIS CA C 13 54.796 0.049 . 1 . . . . 147 HIS CA . 16362 1 1436 . 1 1 147 147 HIS CB C 13 31.862 0.067 . 1 . . . . 147 HIS CB . 16362 1 1437 . 1 1 147 147 HIS N N 15 120.301 0.027 . 1 . . . . 147 HIS N . 16362 1 1438 . 1 1 148 148 GLU H H 1 8.822 0.016 . 1 . . . . 148 GLU H . 16362 1 1439 . 1 1 148 148 GLU HA H 1 5.849 0.005 . 1 . . . . 148 GLU HA . 16362 1 1440 . 1 1 148 148 GLU HB2 H 1 2.180 0.009 . 2 . . . . 148 GLU HB2 . 16362 1 1441 . 1 1 148 148 GLU HB3 H 1 2.258 0.009 . 2 . . . . 148 GLU HB3 . 16362 1 1442 . 1 1 148 148 GLU HG2 H 1 2.487 0.028 . 2 . . . . 148 GLU HG2 . 16362 1 1443 . 1 1 148 148 GLU HG3 H 1 2.542 0.003 . 2 . . . . 148 GLU HG3 . 16362 1 1444 . 1 1 148 148 GLU CA C 13 54.629 0.065 . 1 . . . . 148 GLU CA . 16362 1 1445 . 1 1 148 148 GLU CB C 13 33.344 0.065 . 1 . . . . 148 GLU CB . 16362 1 1446 . 1 1 148 148 GLU CG C 13 34.398 0.017 . 1 . . . . 148 GLU CG . 16362 1 1447 . 1 1 148 148 GLU N N 15 120.516 0.029 . 1 . . . . 148 GLU N . 16362 1 1448 . 1 1 149 149 LYS H H 1 8.839 0.011 . 1 . . . . 149 LYS H . 16362 1 1449 . 1 1 149 149 LYS HA H 1 4.800 0.001 . 1 . . . . 149 LYS HA . 16362 1 1450 . 1 1 149 149 LYS HB2 H 1 2.104 0.006 . 1 . . . . 149 LYS HB2 . 16362 1 1451 . 1 1 149 149 LYS HB3 H 1 2.104 0.006 . 1 . . . . 149 LYS HB3 . 16362 1 1452 . 1 1 149 149 LYS HD2 H 1 1.851 0.004 . 2 . . . . 149 LYS HD2 . 16362 1 1453 . 1 1 149 149 LYS HD3 H 1 1.877 0.005 . 2 . . . . 149 LYS HD3 . 16362 1 1454 . 1 1 149 149 LYS HE2 H 1 3.027 0.004 . 2 . . . . 149 LYS HE2 . 16362 1 1455 . 1 1 149 149 LYS HE3 H 1 3.109 0.005 . 2 . . . . 149 LYS HE3 . 16362 1 1456 . 1 1 149 149 LYS HG2 H 1 1.318 0.006 . 2 . . . . 149 LYS HG2 . 16362 1 1457 . 1 1 149 149 LYS HG3 H 1 1.503 0.003 . 2 . . . . 149 LYS HG3 . 16362 1 1458 . 1 1 149 149 LYS CA C 13 56.012 0.042 . 1 . . . . 149 LYS CA . 16362 1 1459 . 1 1 149 149 LYS CB C 13 36.540 0.040 . 1 . . . . 149 LYS CB . 16362 1 1460 . 1 1 149 149 LYS CD C 13 29.658 0.063 . 1 . . . . 149 LYS CD . 16362 1 1461 . 1 1 149 149 LYS CE C 13 42.280 0.045 . 1 . . . . 149 LYS CE . 16362 1 1462 . 1 1 149 149 LYS CG C 13 24.116 0.077 . 1 . . . . 149 LYS CG . 16362 1 1463 . 1 1 149 149 LYS N N 15 118.462 0.064 . 1 . . . . 149 LYS N . 16362 1 1464 . 1 1 150 150 ASN H H 1 8.972 0.005 . 1 . . . . 150 ASN H . 16362 1 1465 . 1 1 150 150 ASN HA H 1 4.889 0.005 . 1 . . . . 150 ASN HA . 16362 1 1466 . 1 1 150 150 ASN HB2 H 1 2.889 0.011 . 2 . . . . 150 ASN HB2 . 16362 1 1467 . 1 1 150 150 ASN HB3 H 1 3.111 0.009 . 2 . . . . 150 ASN HB3 . 16362 1 1468 . 1 1 150 150 ASN HD21 H 1 6.961 0.002 . 2 . . . . 150 ASN HD21 . 16362 1 1469 . 1 1 150 150 ASN HD22 H 1 7.718 0.012 . 2 . . . . 150 ASN HD22 . 16362 1 1470 . 1 1 150 150 ASN CA C 13 53.451 0.051 . 1 . . . . 150 ASN CA . 16362 1 1471 . 1 1 150 150 ASN CB C 13 38.305 0.058 . 1 . . . . 150 ASN CB . 16362 1 1472 . 1 1 150 150 ASN N N 15 121.955 0.054 . 1 . . . . 150 ASN N . 16362 1 1473 . 1 1 150 150 ASN ND2 N 15 112.869 0.041 . 1 . . . . 150 ASN ND2 . 16362 1 1474 . 1 1 151 151 LEU H H 1 8.752 0.008 . 1 . . . . 151 LEU H . 16362 1 1475 . 1 1 151 151 LEU HA H 1 4.474 0.018 . 1 . . . . 151 LEU HA . 16362 1 1476 . 1 1 151 151 LEU HB2 H 1 1.670 0.004 . 2 . . . . 151 LEU HB2 . 16362 1 1477 . 1 1 151 151 LEU HB3 H 1 1.815 0.003 . 2 . . . . 151 LEU HB3 . 16362 1 1478 . 1 1 151 151 LEU HD11 H 1 0.876 0.003 . 1 . . . . 151 LEU HD1 . 16362 1 1479 . 1 1 151 151 LEU HD12 H 1 0.876 0.003 . 1 . . . . 151 LEU HD1 . 16362 1 1480 . 1 1 151 151 LEU HD13 H 1 0.876 0.003 . 1 . . . . 151 LEU HD1 . 16362 1 1481 . 1 1 151 151 LEU HD21 H 1 0.876 0.003 . 1 . . . . 151 LEU HD2 . 16362 1 1482 . 1 1 151 151 LEU HD22 H 1 0.876 0.003 . 1 . . . . 151 LEU HD2 . 16362 1 1483 . 1 1 151 151 LEU HD23 H 1 0.876 0.003 . 1 . . . . 151 LEU HD2 . 16362 1 1484 . 1 1 151 151 LEU HG H 1 0.774 0.004 . 1 . . . . 151 LEU HG . 16362 1 1485 . 1 1 151 151 LEU N N 15 123.828 0.040 . 1 . . . . 151 LEU N . 16362 1 1486 . 1 1 152 152 GLY H H 1 7.949 0.007 . 1 . . . . 152 GLY H . 16362 1 1487 . 1 1 152 152 GLY HA2 H 1 3.772 0.006 . 2 . . . . 152 GLY HA2 . 16362 1 1488 . 1 1 152 152 GLY HA3 H 1 4.223 0.004 . 2 . . . . 152 GLY HA3 . 16362 1 1489 . 1 1 152 152 GLY CA C 13 44.343 0.058 . 1 . . . . 152 GLY CA . 16362 1 1490 . 1 1 152 152 GLY N N 15 106.936 0.024 . 1 . . . . 152 GLY N . 16362 1 1491 . 1 1 153 153 TYR H H 1 8.202 0.005 . 1 . . . . 153 TYR H . 16362 1 1492 . 1 1 153 153 TYR HA H 1 3.954 0.006 . 1 . . . . 153 TYR HA . 16362 1 1493 . 1 1 153 153 TYR HB2 H 1 3.077 0.004 . 2 . . . . 153 TYR HB2 . 16362 1 1494 . 1 1 153 153 TYR HB3 H 1 3.148 0.003 . 2 . . . . 153 TYR HB3 . 16362 1 1495 . 1 1 153 153 TYR HD1 H 1 6.942 0.002 . 1 . . . . 153 TYR HD1 . 16362 1 1496 . 1 1 153 153 TYR HD2 H 1 6.942 0.002 . 1 . . . . 153 TYR HD2 . 16362 1 1497 . 1 1 153 153 TYR HE1 H 1 6.749 0.002 . 1 . . . . 153 TYR HE1 . 16362 1 1498 . 1 1 153 153 TYR HE2 H 1 6.749 0.002 . 1 . . . . 153 TYR HE2 . 16362 1 1499 . 1 1 153 153 TYR CA C 13 59.276 0.067 . 1 . . . . 153 TYR CA . 16362 1 1500 . 1 1 153 153 TYR CB C 13 34.575 0.035 . 1 . . . . 153 TYR CB . 16362 1 1501 . 1 1 153 153 TYR N N 15 109.932 0.039 . 1 . . . . 153 TYR N . 16362 1 1502 . 1 1 154 154 GLY H H 1 8.488 0.006 . 1 . . . . 154 GLY H . 16362 1 1503 . 1 1 154 154 GLY HA2 H 1 3.725 0.021 . 2 . . . . 154 GLY HA2 . 16362 1 1504 . 1 1 154 154 GLY HA3 H 1 4.070 0.008 . 2 . . . . 154 GLY HA3 . 16362 1 1505 . 1 1 154 154 GLY CA C 13 45.610 0.054 . 1 . . . . 154 GLY CA . 16362 1 1506 . 1 1 154 154 GLY N N 15 105.065 0.030 . 1 . . . . 154 GLY N . 16362 1 1507 . 1 1 155 155 LEU H H 1 7.878 0.012 . 1 . . . . 155 LEU H . 16362 1 1508 . 1 1 155 155 LEU HA H 1 5.366 0.010 . 1 . . . . 155 LEU HA . 16362 1 1509 . 1 1 155 155 LEU HB2 H 1 1.294 0.004 . 2 . . . . 155 LEU HB2 . 16362 1 1510 . 1 1 155 155 LEU HB3 H 1 1.986 0.006 . 2 . . . . 155 LEU HB3 . 16362 1 1511 . 1 1 155 155 LEU HD11 H 1 0.934 0.012 . 1 . . . . 155 LEU HD1 . 16362 1 1512 . 1 1 155 155 LEU HD12 H 1 0.934 0.012 . 1 . . . . 155 LEU HD1 . 16362 1 1513 . 1 1 155 155 LEU HD13 H 1 0.934 0.012 . 1 . . . . 155 LEU HD1 . 16362 1 1514 . 1 1 155 155 LEU HD21 H 1 0.934 0.012 . 1 . . . . 155 LEU HD2 . 16362 1 1515 . 1 1 155 155 LEU HD22 H 1 0.934 0.012 . 1 . . . . 155 LEU HD2 . 16362 1 1516 . 1 1 155 155 LEU HD23 H 1 0.934 0.012 . 1 . . . . 155 LEU HD2 . 16362 1 1517 . 1 1 155 155 LEU HG H 1 0.879 0.000 . 1 . . . . 155 LEU HG . 16362 1 1518 . 1 1 155 155 LEU N N 15 119.965 0.024 . 1 . . . . 155 LEU N . 16362 1 1519 . 1 1 156 156 ARG H H 1 9.429 0.013 . 1 . . . . 156 ARG H . 16362 1 1520 . 1 1 156 156 ARG HA H 1 5.038 0.008 . 1 . . . . 156 ARG HA . 16362 1 1521 . 1 1 156 156 ARG HB2 H 1 1.833 0.003 . 2 . . . . 156 ARG HB2 . 16362 1 1522 . 1 1 156 156 ARG HB3 H 1 1.951 0.008 . 2 . . . . 156 ARG HB3 . 16362 1 1523 . 1 1 156 156 ARG HD2 H 1 3.165 0.002 . 2 . . . . 156 ARG HD2 . 16362 1 1524 . 1 1 156 156 ARG HD3 H 1 3.198 0.004 . 2 . . . . 156 ARG HD3 . 16362 1 1525 . 1 1 156 156 ARG HG2 H 1 1.577 0.003 . 2 . . . . 156 ARG HG2 . 16362 1 1526 . 1 1 156 156 ARG HG3 H 1 1.653 0.005 . 2 . . . . 156 ARG HG3 . 16362 1 1527 . 1 1 156 156 ARG CA C 13 54.777 0.054 . 1 . . . . 156 ARG CA . 16362 1 1528 . 1 1 156 156 ARG CB C 13 33.656 0.071 . 1 . . . . 156 ARG CB . 16362 1 1529 . 1 1 156 156 ARG CD C 13 43.298 0.014 . 1 . . . . 156 ARG CD . 16362 1 1530 . 1 1 156 156 ARG CG C 13 26.881 0.076 . 1 . . . . 156 ARG CG . 16362 1 1531 . 1 1 156 156 ARG N N 15 120.168 0.049 . 1 . . . . 156 ARG N . 16362 1 1532 . 1 1 157 157 MET H H 1 9.032 0.011 . 1 . . . . 157 MET H . 16362 1 1533 . 1 1 157 157 MET HA H 1 5.741 0.012 . 1 . . . . 157 MET HA . 16362 1 1534 . 1 1 157 157 MET HB2 H 1 2.039 0.003 . 2 . . . . 157 MET HB2 . 16362 1 1535 . 1 1 157 157 MET HB3 H 1 2.294 0.006 . 2 . . . . 157 MET HB3 . 16362 1 1536 . 1 1 157 157 MET HE1 H 1 2.168 0.004 . 1 . . . . 157 MET HE . 16362 1 1537 . 1 1 157 157 MET HE2 H 1 2.168 0.004 . 1 . . . . 157 MET HE . 16362 1 1538 . 1 1 157 157 MET HE3 H 1 2.168 0.004 . 1 . . . . 157 MET HE . 16362 1 1539 . 1 1 157 157 MET HG2 H 1 2.649 0.008 . 2 . . . . 157 MET HG2 . 16362 1 1540 . 1 1 157 157 MET HG3 H 1 2.731 0.004 . 2 . . . . 157 MET HG3 . 16362 1 1541 . 1 1 157 157 MET CA C 13 53.629 0.072 . 1 . . . . 157 MET CA . 16362 1 1542 . 1 1 157 157 MET CB C 13 36.104 0.080 . 1 . . . . 157 MET CB . 16362 1 1543 . 1 1 157 157 MET CG C 13 31.737 0.057 . 1 . . . . 157 MET CG . 16362 1 1544 . 1 1 157 157 MET N N 15 120.728 0.081 . 1 . . . . 157 MET N . 16362 1 1545 . 1 1 158 158 LYS H H 1 8.740 0.012 . 1 . . . . 158 LYS H . 16362 1 1546 . 1 1 158 158 LYS HA H 1 5.685 0.006 . 1 . . . . 158 LYS HA . 16362 1 1547 . 1 1 158 158 LYS HB2 H 1 1.973 0.006 . 1 . . . . 158 LYS HB2 . 16362 1 1548 . 1 1 158 158 LYS HB3 H 1 1.973 0.006 . 1 . . . . 158 LYS HB3 . 16362 1 1549 . 1 1 158 158 LYS HD2 H 1 1.473 0.004 . 2 . . . . 158 LYS HD2 . 16362 1 1550 . 1 1 158 158 LYS HD3 H 1 1.543 0.005 . 2 . . . . 158 LYS HD3 . 16362 1 1551 . 1 1 158 158 LYS HE2 H 1 2.219 0.006 . 2 . . . . 158 LYS HE2 . 16362 1 1552 . 1 1 158 158 LYS HE3 H 1 2.555 0.003 . 2 . . . . 158 LYS HE3 . 16362 1 1553 . 1 1 158 158 LYS HG2 H 1 1.570 0.004 . 2 . . . . 158 LYS HG2 . 16362 1 1554 . 1 1 158 158 LYS HG3 H 1 1.644 0.005 . 2 . . . . 158 LYS HG3 . 16362 1 1555 . 1 1 158 158 LYS CA C 13 56.314 0.041 . 1 . . . . 158 LYS CA . 16362 1 1556 . 1 1 158 158 LYS CB C 13 36.303 0.064 . 1 . . . . 158 LYS CB . 16362 1 1557 . 1 1 158 158 LYS CD C 13 29.612 0.043 . 1 . . . . 158 LYS CD . 16362 1 1558 . 1 1 158 158 LYS CE C 13 41.497 0.039 . 1 . . . . 158 LYS CE . 16362 1 1559 . 1 1 158 158 LYS CG C 13 25.780 0.062 . 1 . . . . 158 LYS CG . 16362 1 1560 . 1 1 158 158 LYS N N 15 125.901 0.079 . 1 . . . . 158 LYS N . 16362 1 1561 . 1 1 159 159 GLY H H 1 9.718 0.012 . 1 . . . . 159 GLY H . 16362 1 1562 . 1 1 159 159 GLY HA2 H 1 4.098 0.006 . 2 . . . . 159 GLY HA2 . 16362 1 1563 . 1 1 159 159 GLY HA3 H 1 5.608 0.014 . 2 . . . . 159 GLY HA3 . 16362 1 1564 . 1 1 159 159 GLY CA C 13 47.806 0.032 . 1 . . . . 159 GLY CA . 16362 1 1565 . 1 1 159 159 GLY N N 15 114.590 0.042 . 1 . . . . 159 GLY N . 16362 1 1566 . 1 1 160 160 ILE H H 1 8.146 0.015 . 1 . . . . 160 ILE H . 16362 1 1567 . 1 1 160 160 ILE HA H 1 4.482 0.010 . 1 . . . . 160 ILE HA . 16362 1 1568 . 1 1 160 160 ILE HB H 1 0.061 0.007 . 1 . . . . 160 ILE HB . 16362 1 1569 . 1 1 160 160 ILE HD11 H 1 -0.140 0.003 . 1 . . . . 160 ILE HD1 . 16362 1 1570 . 1 1 160 160 ILE HD12 H 1 -0.140 0.003 . 1 . . . . 160 ILE HD1 . 16362 1 1571 . 1 1 160 160 ILE HD13 H 1 -0.140 0.003 . 1 . . . . 160 ILE HD1 . 16362 1 1572 . 1 1 160 160 ILE HG12 H 1 0.110 0.007 . 1 . . . . 160 ILE HG12 . 16362 1 1573 . 1 1 160 160 ILE HG13 H 1 0.110 0.007 . 1 . . . . 160 ILE HG13 . 16362 1 1574 . 1 1 160 160 ILE HG21 H 1 -0.107 0.005 . 1 . . . . 160 ILE HG2 . 16362 1 1575 . 1 1 160 160 ILE HG22 H 1 -0.107 0.005 . 1 . . . . 160 ILE HG2 . 16362 1 1576 . 1 1 160 160 ILE HG23 H 1 -0.107 0.005 . 1 . . . . 160 ILE HG2 . 16362 1 1577 . 1 1 160 160 ILE CA C 13 58.642 0.058 . 1 . . . . 160 ILE CA . 16362 1 1578 . 1 1 160 160 ILE CB C 13 41.739 0.045 . 1 . . . . 160 ILE CB . 16362 1 1579 . 1 1 160 160 ILE CD1 C 13 13.478 0.084 . 1 . . . . 160 ILE CD1 . 16362 1 1580 . 1 1 160 160 ILE CG1 C 13 28.716 0.016 . 1 . . . . 160 ILE CG1 . 16362 1 1581 . 1 1 160 160 ILE CG2 C 13 15.200 0.042 . 1 . . . . 160 ILE CG2 . 16362 1 1582 . 1 1 160 160 ILE N N 15 118.400 0.084 . 1 . . . . 160 ILE N . 16362 1 1583 . 1 1 161 161 MET H H 1 8.512 0.013 . 1 . . . . 161 MET H . 16362 1 1584 . 1 1 161 161 MET HA H 1 5.305 0.009 . 1 . . . . 161 MET HA . 16362 1 1585 . 1 1 161 161 MET HE1 H 1 2.164 0.006 . 1 . . . . 161 MET HE . 16362 1 1586 . 1 1 161 161 MET HE2 H 1 2.164 0.006 . 1 . . . . 161 MET HE . 16362 1 1587 . 1 1 161 161 MET HE3 H 1 2.164 0.006 . 1 . . . . 161 MET HE . 16362 1 1588 . 1 1 161 161 MET CA C 13 53.542 0.036 . 1 . . . . 161 MET CA . 16362 1 1589 . 1 1 161 161 MET CB C 13 36.731 0.062 . 1 . . . . 161 MET CB . 16362 1 1590 . 1 1 161 161 MET N N 15 125.007 0.054 . 1 . . . . 161 MET N . 16362 1 1591 . 1 1 162 162 THR H H 1 8.369 0.012 . 1 . . . . 162 THR H . 16362 1 1592 . 1 1 162 162 THR HA H 1 4.742 0.008 . 1 . . . . 162 THR HA . 16362 1 1593 . 1 1 162 162 THR HB H 1 4.743 0.006 . 1 . . . . 162 THR HB . 16362 1 1594 . 1 1 162 162 THR HG21 H 1 1.253 0.012 . 1 . . . . 162 THR HG2 . 16362 1 1595 . 1 1 162 162 THR HG22 H 1 1.253 0.012 . 1 . . . . 162 THR HG2 . 16362 1 1596 . 1 1 162 162 THR HG23 H 1 1.253 0.012 . 1 . . . . 162 THR HG2 . 16362 1 1597 . 1 1 162 162 THR CA C 13 61.502 0.093 . 1 . . . . 162 THR CA . 16362 1 1598 . 1 1 162 162 THR CB C 13 70.001 0.071 . 1 . . . . 162 THR CB . 16362 1 1599 . 1 1 162 162 THR N N 15 115.954 0.046 . 1 . . . . 162 THR N . 16362 1 1600 . 1 1 163 163 SER H H 1 7.966 0.004 . 1 . . . . 163 SER H . 16362 1 1601 . 1 1 163 163 SER HA H 1 4.548 0.003 . 1 . . . . 163 SER HA . 16362 1 1602 . 1 1 163 163 SER HB2 H 1 3.721 0.008 . 2 . . . . 163 SER HB2 . 16362 1 1603 . 1 1 163 163 SER HB3 H 1 4.173 0.001 . 2 . . . . 163 SER HB3 . 16362 1 1604 . 1 1 163 163 SER CA C 13 59.058 0.087 . 1 . . . . 163 SER CA . 16362 1 1605 . 1 1 163 163 SER CB C 13 65.038 0.056 . 1 . . . . 163 SER CB . 16362 1 1606 . 1 1 163 163 SER N N 15 109.657 0.071 . 1 . . . . 163 SER N . 16362 1 1607 . 1 1 164 164 ALA H H 1 7.576 0.003 . 1 . . . . 164 ALA H . 16362 1 1608 . 1 1 164 164 ALA HA H 1 4.374 0.004 . 1 . . . . 164 ALA HA . 16362 1 1609 . 1 1 164 164 ALA HB1 H 1 1.413 0.007 . 1 . . . . 164 ALA HB . 16362 1 1610 . 1 1 164 164 ALA HB2 H 1 1.413 0.007 . 1 . . . . 164 ALA HB . 16362 1 1611 . 1 1 164 164 ALA HB3 H 1 1.413 0.007 . 1 . . . . 164 ALA HB . 16362 1 1612 . 1 1 164 164 ALA CA C 13 51.099 0.066 . 1 . . . . 164 ALA CA . 16362 1 1613 . 1 1 164 164 ALA CB C 13 20.601 0.047 . 1 . . . . 164 ALA CB . 16362 1 1614 . 1 1 164 164 ALA N N 15 132.050 0.000 . 1 . . . . 164 ALA N . 16362 1 1615 . 1 1 165 165 GLY H H 1 8.080 0.006 . 1 . . . . 165 GLY H . 16362 1 1616 . 1 1 165 165 GLY CA C 13 46.457 0.058 . 1 . . . . 165 GLY CA . 16362 1 1617 . 1 1 165 165 GLY N N 15 105.267 0.035 . 1 . . . . 165 GLY N . 16362 1 1618 . 1 1 167 167 ALA HA H 1 4.033 0.007 . 1 . . . . 167 ALA HA . 16362 1 1619 . 1 1 167 167 ALA HB1 H 1 1.322 0.004 . 1 . . . . 167 ALA HB . 16362 1 1620 . 1 1 167 167 ALA HB2 H 1 1.322 0.004 . 1 . . . . 167 ALA HB . 16362 1 1621 . 1 1 167 167 ALA HB3 H 1 1.322 0.004 . 1 . . . . 167 ALA HB . 16362 1 1622 . 1 1 167 167 ALA CA C 13 52.193 0.029 . 1 . . . . 167 ALA CA . 16362 1 1623 . 1 1 167 167 ALA CB C 13 20.854 0.052 . 1 . . . . 167 ALA CB . 16362 1 1624 . 1 1 168 168 LYS H H 1 7.867 0.011 . 1 . . . . 168 LYS H . 16362 1 1625 . 1 1 168 168 LYS HA H 1 5.014 0.008 . 1 . . . . 168 LYS HA . 16362 1 1626 . 1 1 168 168 LYS HB2 H 1 0.938 0.004 . 2 . . . . 168 LYS HB2 . 16362 1 1627 . 1 1 168 168 LYS HB3 H 1 1.087 0.003 . 2 . . . . 168 LYS HB3 . 16362 1 1628 . 1 1 168 168 LYS HD2 H 1 0.680 0.007 . 2 . . . . 168 LYS HD2 . 16362 1 1629 . 1 1 168 168 LYS HD3 H 1 1.446 0.002 . 2 . . . . 168 LYS HD3 . 16362 1 1630 . 1 1 168 168 LYS HE2 H 1 2.183 0.005 . 2 . . . . 168 LYS HE2 . 16362 1 1631 . 1 1 168 168 LYS HE3 H 1 2.503 0.006 . 2 . . . . 168 LYS HE3 . 16362 1 1632 . 1 1 168 168 LYS HG2 H 1 0.995 0.000 . 2 . . . . 168 LYS HG2 . 16362 1 1633 . 1 1 168 168 LYS HG3 H 1 1.138 0.002 . 2 . . . . 168 LYS HG3 . 16362 1 1634 . 1 1 168 168 LYS CA C 13 54.566 0.063 . 1 . . . . 168 LYS CA . 16362 1 1635 . 1 1 168 168 LYS CB C 13 36.034 0.048 . 1 . . . . 168 LYS CB . 16362 1 1636 . 1 1 168 168 LYS CD C 13 28.426 0.032 . 1 . . . . 168 LYS CD . 16362 1 1637 . 1 1 168 168 LYS CE C 13 40.603 0.063 . 1 . . . . 168 LYS CE . 16362 1 1638 . 1 1 168 168 LYS CG C 13 24.516 0.097 . 1 . . . . 168 LYS CG . 16362 1 1639 . 1 1 168 168 LYS N N 15 116.401 0.051 . 1 . . . . 168 LYS N . 16362 1 1640 . 1 1 169 169 MET H H 1 8.526 0.015 . 1 . . . . 169 MET H . 16362 1 1641 . 1 1 169 169 MET HA H 1 5.308 0.009 . 1 . . . . 169 MET HA . 16362 1 1642 . 1 1 169 169 MET HB2 H 1 1.530 0.002 . 2 . . . . 169 MET HB2 . 16362 1 1643 . 1 1 169 169 MET HB3 H 1 1.958 0.014 . 2 . . . . 169 MET HB3 . 16362 1 1644 . 1 1 169 169 MET HE1 H 1 2.187 0.002 . 1 . . . . 169 MET HE . 16362 1 1645 . 1 1 169 169 MET HE2 H 1 2.187 0.002 . 1 . . . . 169 MET HE . 16362 1 1646 . 1 1 169 169 MET HE3 H 1 2.187 0.002 . 1 . . . . 169 MET HE . 16362 1 1647 . 1 1 169 169 MET HG2 H 1 1.869 0.005 . 1 . . . . 169 MET HG2 . 16362 1 1648 . 1 1 169 169 MET HG3 H 1 1.869 0.005 . 1 . . . . 169 MET HG3 . 16362 1 1649 . 1 1 169 169 MET CA C 13 54.265 0.080 . 1 . . . . 169 MET CA . 16362 1 1650 . 1 1 169 169 MET CB C 13 38.486 0.029 . 1 . . . . 169 MET CB . 16362 1 1651 . 1 1 169 169 MET CG C 13 31.211 0.061 . 1 . . . . 169 MET CG . 16362 1 1652 . 1 1 169 169 MET N N 15 121.497 0.032 . 1 . . . . 169 MET N . 16362 1 1653 . 1 1 170 170 GLN H H 1 8.589 0.013 . 1 . . . . 170 GLN H . 16362 1 1654 . 1 1 170 170 GLN HA H 1 5.477 0.009 . 1 . . . . 170 GLN HA . 16362 1 1655 . 1 1 170 170 GLN HB2 H 1 1.885 0.005 . 2 . . . . 170 GLN HB2 . 16362 1 1656 . 1 1 170 170 GLN HB3 H 1 1.850 0.006 . 2 . . . . 170 GLN HB3 . 16362 1 1657 . 1 1 170 170 GLN HG2 H 1 2.096 0.007 . 2 . . . . 170 GLN HG2 . 16362 1 1658 . 1 1 170 170 GLN HG3 H 1 2.309 0.006 . 2 . . . . 170 GLN HG3 . 16362 1 1659 . 1 1 170 170 GLN CA C 13 54.134 0.048 . 1 . . . . 170 GLN CA . 16362 1 1660 . 1 1 170 170 GLN CB C 13 32.017 0.028 . 1 . . . . 170 GLN CB . 16362 1 1661 . 1 1 170 170 GLN CG C 13 33.798 0.034 . 1 . . . . 170 GLN CG . 16362 1 1662 . 1 1 170 170 GLN N N 15 127.611 0.030 . 1 . . . . 170 GLN N . 16362 1 1663 . 1 1 171 171 ILE H H 1 8.750 0.020 . 1 . . . . 171 ILE H . 16362 1 1664 . 1 1 171 171 ILE HA H 1 5.314 0.006 . 1 . . . . 171 ILE HA . 16362 1 1665 . 1 1 171 171 ILE HB H 1 1.926 0.004 . 1 . . . . 171 ILE HB . 16362 1 1666 . 1 1 171 171 ILE HD11 H 1 0.964 0.004 . 1 . . . . 171 ILE HD1 . 16362 1 1667 . 1 1 171 171 ILE HD12 H 1 0.964 0.004 . 1 . . . . 171 ILE HD1 . 16362 1 1668 . 1 1 171 171 ILE HD13 H 1 0.964 0.004 . 1 . . . . 171 ILE HD1 . 16362 1 1669 . 1 1 171 171 ILE HG12 H 1 1.138 0.005 . 2 . . . . 171 ILE HG12 . 16362 1 1670 . 1 1 171 171 ILE HG13 H 1 1.448 0.008 . 2 . . . . 171 ILE HG13 . 16362 1 1671 . 1 1 171 171 ILE HG21 H 1 1.189 0.009 . 1 . . . . 171 ILE HG2 . 16362 1 1672 . 1 1 171 171 ILE HG22 H 1 1.189 0.009 . 1 . . . . 171 ILE HG2 . 16362 1 1673 . 1 1 171 171 ILE HG23 H 1 1.189 0.009 . 1 . . . . 171 ILE HG2 . 16362 1 1674 . 1 1 171 171 ILE CA C 13 59.402 0.064 . 1 . . . . 171 ILE CA . 16362 1 1675 . 1 1 171 171 ILE CB C 13 43.142 0.038 . 1 . . . . 171 ILE CB . 16362 1 1676 . 1 1 171 171 ILE CD1 C 13 13.995 0.054 . 1 . . . . 171 ILE CD1 . 16362 1 1677 . 1 1 171 171 ILE CG1 C 13 27.825 0.079 . 1 . . . . 171 ILE CG1 . 16362 1 1678 . 1 1 171 171 ILE CG2 C 13 19.062 0.066 . 1 . . . . 171 ILE CG2 . 16362 1 1679 . 1 1 171 171 ILE N N 15 123.917 0.039 . 1 . . . . 171 ILE N . 16362 1 1680 . 1 1 172 172 LYS H H 1 9.941 0.010 . 1 . . . . 172 LYS H . 16362 1 1681 . 1 1 172 172 LYS HA H 1 5.312 0.005 . 1 . . . . 172 LYS HA . 16362 1 1682 . 1 1 172 172 LYS HB2 H 1 2.022 0.012 . 2 . . . . 172 LYS HB2 . 16362 1 1683 . 1 1 172 172 LYS HB3 H 1 2.068 0.006 . 2 . . . . 172 LYS HB3 . 16362 1 1684 . 1 1 172 172 LYS HD2 H 1 1.721 0.003 . 1 . . . . 172 LYS HD2 . 16362 1 1685 . 1 1 172 172 LYS HD3 H 1 1.721 0.003 . 1 . . . . 172 LYS HD3 . 16362 1 1686 . 1 1 172 172 LYS HE2 H 1 2.925 0.002 . 1 . . . . 172 LYS HE2 . 16362 1 1687 . 1 1 172 172 LYS HE3 H 1 2.925 0.002 . 1 . . . . 172 LYS HE3 . 16362 1 1688 . 1 1 172 172 LYS HG2 H 1 1.278 0.005 . 2 . . . . 172 LYS HG2 . 16362 1 1689 . 1 1 172 172 LYS HG3 H 1 1.471 0.007 . 2 . . . . 172 LYS HG3 . 16362 1 1690 . 1 1 172 172 LYS CA C 13 55.970 0.049 . 1 . . . . 172 LYS CA . 16362 1 1691 . 1 1 172 172 LYS CB C 13 35.533 0.046 . 1 . . . . 172 LYS CB . 16362 1 1692 . 1 1 172 172 LYS CD C 13 29.535 0.065 . 1 . . . . 172 LYS CD . 16362 1 1693 . 1 1 172 172 LYS CE C 13 41.405 0.027 . 1 . . . . 172 LYS CE . 16362 1 1694 . 1 1 172 172 LYS CG C 13 24.818 0.019 . 1 . . . . 172 LYS CG . 16362 1 1695 . 1 1 172 172 LYS N N 15 128.980 0.032 . 1 . . . . 172 LYS N . 16362 1 1696 . 1 1 173 173 ILE H H 1 8.793 0.019 . 1 . . . . 173 ILE H . 16362 1 1697 . 1 1 173 173 ILE HA H 1 5.335 0.006 . 1 . . . . 173 ILE HA . 16362 1 1698 . 1 1 173 173 ILE HB H 1 2.684 0.005 . 1 . . . . 173 ILE HB . 16362 1 1699 . 1 1 173 173 ILE HD11 H 1 0.937 0.005 . 1 . . . . 173 ILE HD1 . 16362 1 1700 . 1 1 173 173 ILE HD12 H 1 0.937 0.005 . 1 . . . . 173 ILE HD1 . 16362 1 1701 . 1 1 173 173 ILE HD13 H 1 0.937 0.005 . 1 . . . . 173 ILE HD1 . 16362 1 1702 . 1 1 173 173 ILE HG12 H 1 1.828 0.005 . 2 . . . . 173 ILE HG12 . 16362 1 1703 . 1 1 173 173 ILE HG13 H 1 1.746 0.009 . 2 . . . . 173 ILE HG13 . 16362 1 1704 . 1 1 173 173 ILE HG21 H 1 1.118 0.003 . 1 . . . . 173 ILE HG2 . 16362 1 1705 . 1 1 173 173 ILE HG22 H 1 1.118 0.003 . 1 . . . . 173 ILE HG2 . 16362 1 1706 . 1 1 173 173 ILE HG23 H 1 1.118 0.003 . 1 . . . . 173 ILE HG2 . 16362 1 1707 . 1 1 173 173 ILE CA C 13 57.760 0.080 . 1 . . . . 173 ILE CA . 16362 1 1708 . 1 1 173 173 ILE CB C 13 37.278 0.088 . 1 . . . . 173 ILE CB . 16362 1 1709 . 1 1 173 173 ILE CD1 C 13 11.315 0.079 . 1 . . . . 173 ILE CD1 . 16362 1 1710 . 1 1 173 173 ILE CG1 C 13 26.648 0.057 . 1 . . . . 173 ILE CG1 . 16362 1 1711 . 1 1 173 173 ILE CG2 C 13 17.647 0.059 . 1 . . . . 173 ILE CG2 . 16362 1 1712 . 1 1 173 173 ILE N N 15 129.041 0.025 . 1 . . . . 173 ILE N . 16362 1 1713 . 1 1 174 174 SER H H 1 9.163 0.015 . 1 . . . . 174 SER H . 16362 1 1714 . 1 1 174 174 SER HA H 1 4.960 0.010 . 1 . . . . 174 SER HA . 16362 1 1715 . 1 1 174 174 SER HB2 H 1 3.628 0.007 . 2 . . . . 174 SER HB2 . 16362 1 1716 . 1 1 174 174 SER HB3 H 1 4.050 0.012 . 2 . . . . 174 SER HB3 . 16362 1 1717 . 1 1 174 174 SER CA C 13 56.953 0.051 . 1 . . . . 174 SER CA . 16362 1 1718 . 1 1 174 174 SER CB C 13 67.066 0.065 . 1 . . . . 174 SER CB . 16362 1 1719 . 1 1 174 174 SER N N 15 120.923 0.043 . 1 . . . . 174 SER N . 16362 1 1720 . 1 1 175 175 ARG H H 1 7.732 0.004 . 1 . . . . 175 ARG H . 16362 1 1721 . 1 1 175 175 ARG HA H 1 4.791 0.010 . 1 . . . . 175 ARG HA . 16362 1 1722 . 1 1 175 175 ARG HB2 H 1 1.862 0.002 . 2 . . . . 175 ARG HB2 . 16362 1 1723 . 1 1 175 175 ARG HB3 H 1 1.999 0.006 . 2 . . . . 175 ARG HB3 . 16362 1 1724 . 1 1 175 175 ARG HD2 H 1 3.265 0.004 . 2 . . . . 175 ARG HD2 . 16362 1 1725 . 1 1 175 175 ARG HD3 H 1 3.310 0.003 . 2 . . . . 175 ARG HD3 . 16362 1 1726 . 1 1 175 175 ARG HG2 H 1 1.763 0.005 . 1 . . . . 175 ARG HG2 . 16362 1 1727 . 1 1 175 175 ARG HG3 H 1 1.763 0.005 . 1 . . . . 175 ARG HG3 . 16362 1 1728 . 1 1 175 175 ARG CA C 13 57.352 0.090 . 1 . . . . 175 ARG CA . 16362 1 1729 . 1 1 175 175 ARG CB C 13 31.377 0.066 . 1 . . . . 175 ARG CB . 16362 1 1730 . 1 1 175 175 ARG CD C 13 43.486 0.028 . 1 . . . . 175 ARG CD . 16362 1 1731 . 1 1 175 175 ARG CG C 13 27.653 0.052 . 1 . . . . 175 ARG CG . 16362 1 1732 . 1 1 175 175 ARG N N 15 124.991 0.057 . 1 . . . . 175 ARG N . 16362 1 stop_ save_