data_16630 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16630 _Entry.Title ; 1H, 13C and 15N NMR assignments of StnII-Y111N, a mutant of the sea anemone actinoporin Sticholysin II ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-12-09 _Entry.Accession_date 2009-12-09 _Entry.Last_release_date 2010-08-23 _Entry.Original_release_date 2010-08-23 _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 Miguel Pardo-Cea . A. . 16630 2 Marta Bruix . . . 16630 3 Jorge Santoro . . . 16630 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Departamento de Espectroscopia y Estructura Molecular-Instituto de Quimica Fisica Rocasolano - CSIC' . 16630 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16630 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 750 16630 '15N chemical shifts' 195 16630 '1H chemical shifts' 1224 16630 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-08-23 2009-12-09 original author . 16630 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' 16630 BMRB 16362 '1H, 13C and 15N NMR assignments of StnII-R29Q, a defective lipid binding mutant of the sea anemone actinoporin Sticholysin II' 16630 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16630 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20165934 _Citation.Full_citation . _Citation.Title '1H, 13C, and 15N NMR assignments of StnII-Y111N, a highly impaired mutant of the sea anemone actinoporin Sticholysin II' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 1 _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 69 _Citation.Page_last 72 _Citation.Year 2010 _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 Miguel Pardo-Cea . A. . 16630 1 2 Jorge Alegre-Cebollada . . . 16630 1 3 Alvaro Martinez-Del-Pozo . . . 16630 1 4 Jose Gavilanes . G. . 16630 1 5 Marta Bruix . . . 16630 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID actinoporin 16630 1 Equinatoxin 16630 1 'NMR resonance assigment' 16630 1 sticholysin 16630 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16630 _Assembly.ID 1 _Assembly.Name stnIIY111N _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 stnIIY111N 1 $stnIIY111N A . yes native no no . . . 16630 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1GWY . . X-ray 2.4 'wild-type stycholysin' . 16630 1 yes PDB 1IAZ . . X-ray 1.9 'equinatoxin II' . 16630 1 yes PDB 1KD6 . . 'solution NMR' . 'equinatoxin II' . 16630 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Cytolysin 16630 1 Hemolysin 16630 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_stnIIY111N _Entity.Sf_category entity _Entity.Sf_framecode stnIIY111N _Entity.Entry_ID 16630 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name stnIIY111N _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 LEELGKVSRKIAVGIDNESG GTWTALNAYFRSGTTDVILP EFVPNTKALLYSGRKDTGPV ATGAVAAFAYYMSSGNTLGV MFSVPFDYNWNSNWWDVKIY 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 stnIIY111N _Entity.Mutation Y111N _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 16362 . R29Q_StnII . . . . . 100.00 175 98.86 99.43 1.50e-121 . . . . 16630 1 2 no PDB 1GWY . "Crystal Structure Of The Water-Soluble State Of The Pore- Forming Cytolysin Sticholysin Ii" . . . . . 100.00 175 99.43 99.43 3.21e-122 . . . . 16630 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 99.43 3.21e-122 . . . . 16630 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 99.43 3.21e-122 . . . . 16630 1 5 no PDB 2L2B . "Structure Of Stnii-Y111n, A Mutant Of The Sea Anemone Actinoporin Sticholysin Ii" . . . . . 100.00 175 100.00 100.00 1.47e-123 . . . . 16630 1 6 no PDB 2L38 . "R29q Sticholysin Ii Mutant" . . . . . 100.00 175 98.86 99.43 1.50e-121 . . . . 16630 1 7 no EMBL CAC20912 . "sticholysin II [Stichodactyla helianthus]" . . . . . 100.00 175 99.43 99.43 3.21e-122 . . . . 16630 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 99.43 3.21e-122 . . . . 16630 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID cytolysin 16630 1 Hemolysis 16630 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 . 16630 1 2 . LEU . 16630 1 3 . ALA . 16630 1 4 . GLY . 16630 1 5 . THR . 16630 1 6 . ILE . 16630 1 7 . ILE . 16630 1 8 . ALA . 16630 1 9 . GLY . 16630 1 10 . ALA . 16630 1 11 . SER . 16630 1 12 . LEU . 16630 1 13 . THR . 16630 1 14 . PHE . 16630 1 15 . GLN . 16630 1 16 . VAL . 16630 1 17 . LEU . 16630 1 18 . ASP . 16630 1 19 . LYS . 16630 1 20 . VAL . 16630 1 21 . LEU . 16630 1 22 . GLU . 16630 1 23 . GLU . 16630 1 24 . LEU . 16630 1 25 . GLY . 16630 1 26 . LYS . 16630 1 27 . VAL . 16630 1 28 . SER . 16630 1 29 . ARG . 16630 1 30 . LYS . 16630 1 31 . ILE . 16630 1 32 . ALA . 16630 1 33 . VAL . 16630 1 34 . GLY . 16630 1 35 . ILE . 16630 1 36 . ASP . 16630 1 37 . ASN . 16630 1 38 . GLU . 16630 1 39 . SER . 16630 1 40 . GLY . 16630 1 41 . GLY . 16630 1 42 . THR . 16630 1 43 . TRP . 16630 1 44 . THR . 16630 1 45 . ALA . 16630 1 46 . LEU . 16630 1 47 . ASN . 16630 1 48 . ALA . 16630 1 49 . TYR . 16630 1 50 . PHE . 16630 1 51 . ARG . 16630 1 52 . SER . 16630 1 53 . GLY . 16630 1 54 . THR . 16630 1 55 . THR . 16630 1 56 . ASP . 16630 1 57 . VAL . 16630 1 58 . ILE . 16630 1 59 . LEU . 16630 1 60 . PRO . 16630 1 61 . GLU . 16630 1 62 . PHE . 16630 1 63 . VAL . 16630 1 64 . PRO . 16630 1 65 . ASN . 16630 1 66 . THR . 16630 1 67 . LYS . 16630 1 68 . ALA . 16630 1 69 . LEU . 16630 1 70 . LEU . 16630 1 71 . TYR . 16630 1 72 . SER . 16630 1 73 . GLY . 16630 1 74 . ARG . 16630 1 75 . LYS . 16630 1 76 . ASP . 16630 1 77 . THR . 16630 1 78 . GLY . 16630 1 79 . PRO . 16630 1 80 . VAL . 16630 1 81 . ALA . 16630 1 82 . THR . 16630 1 83 . GLY . 16630 1 84 . ALA . 16630 1 85 . VAL . 16630 1 86 . ALA . 16630 1 87 . ALA . 16630 1 88 . PHE . 16630 1 89 . ALA . 16630 1 90 . TYR . 16630 1 91 . TYR . 16630 1 92 . MET . 16630 1 93 . SER . 16630 1 94 . SER . 16630 1 95 . GLY . 16630 1 96 . ASN . 16630 1 97 . THR . 16630 1 98 . LEU . 16630 1 99 . GLY . 16630 1 100 . VAL . 16630 1 101 . MET . 16630 1 102 . PHE . 16630 1 103 . SER . 16630 1 104 . VAL . 16630 1 105 . PRO . 16630 1 106 . PHE . 16630 1 107 . ASP . 16630 1 108 . TYR . 16630 1 109 . ASN . 16630 1 110 . TRP . 16630 1 111 . ASN . 16630 1 112 . SER . 16630 1 113 . ASN . 16630 1 114 . TRP . 16630 1 115 . TRP . 16630 1 116 . ASP . 16630 1 117 . VAL . 16630 1 118 . LYS . 16630 1 119 . ILE . 16630 1 120 . TYR . 16630 1 121 . SER . 16630 1 122 . GLY . 16630 1 123 . LYS . 16630 1 124 . ARG . 16630 1 125 . ARG . 16630 1 126 . ALA . 16630 1 127 . ASP . 16630 1 128 . GLN . 16630 1 129 . GLY . 16630 1 130 . MET . 16630 1 131 . TYR . 16630 1 132 . GLU . 16630 1 133 . ASP . 16630 1 134 . LEU . 16630 1 135 . TYR . 16630 1 136 . TYR . 16630 1 137 . GLY . 16630 1 138 . ASN . 16630 1 139 . PRO . 16630 1 140 . TYR . 16630 1 141 . ARG . 16630 1 142 . GLY . 16630 1 143 . ASP . 16630 1 144 . ASN . 16630 1 145 . GLY . 16630 1 146 . TRP . 16630 1 147 . HIS . 16630 1 148 . GLU . 16630 1 149 . LYS . 16630 1 150 . ASN . 16630 1 151 . LEU . 16630 1 152 . GLY . 16630 1 153 . TYR . 16630 1 154 . GLY . 16630 1 155 . LEU . 16630 1 156 . ARG . 16630 1 157 . MET . 16630 1 158 . LYS . 16630 1 159 . GLY . 16630 1 160 . ILE . 16630 1 161 . MET . 16630 1 162 . THR . 16630 1 163 . SER . 16630 1 164 . ALA . 16630 1 165 . GLY . 16630 1 166 . GLU . 16630 1 167 . ALA . 16630 1 168 . LYS . 16630 1 169 . MET . 16630 1 170 . GLN . 16630 1 171 . ILE . 16630 1 172 . LYS . 16630 1 173 . ILE . 16630 1 174 . SER . 16630 1 175 . ARG . 16630 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 16630 1 . LEU 2 2 16630 1 . ALA 3 3 16630 1 . GLY 4 4 16630 1 . THR 5 5 16630 1 . ILE 6 6 16630 1 . ILE 7 7 16630 1 . ALA 8 8 16630 1 . GLY 9 9 16630 1 . ALA 10 10 16630 1 . SER 11 11 16630 1 . LEU 12 12 16630 1 . THR 13 13 16630 1 . PHE 14 14 16630 1 . GLN 15 15 16630 1 . VAL 16 16 16630 1 . LEU 17 17 16630 1 . ASP 18 18 16630 1 . LYS 19 19 16630 1 . VAL 20 20 16630 1 . LEU 21 21 16630 1 . GLU 22 22 16630 1 . GLU 23 23 16630 1 . LEU 24 24 16630 1 . GLY 25 25 16630 1 . LYS 26 26 16630 1 . VAL 27 27 16630 1 . SER 28 28 16630 1 . ARG 29 29 16630 1 . LYS 30 30 16630 1 . ILE 31 31 16630 1 . ALA 32 32 16630 1 . VAL 33 33 16630 1 . GLY 34 34 16630 1 . ILE 35 35 16630 1 . ASP 36 36 16630 1 . ASN 37 37 16630 1 . GLU 38 38 16630 1 . SER 39 39 16630 1 . GLY 40 40 16630 1 . GLY 41 41 16630 1 . THR 42 42 16630 1 . TRP 43 43 16630 1 . THR 44 44 16630 1 . ALA 45 45 16630 1 . LEU 46 46 16630 1 . ASN 47 47 16630 1 . ALA 48 48 16630 1 . TYR 49 49 16630 1 . PHE 50 50 16630 1 . ARG 51 51 16630 1 . SER 52 52 16630 1 . GLY 53 53 16630 1 . THR 54 54 16630 1 . THR 55 55 16630 1 . ASP 56 56 16630 1 . VAL 57 57 16630 1 . ILE 58 58 16630 1 . LEU 59 59 16630 1 . PRO 60 60 16630 1 . GLU 61 61 16630 1 . PHE 62 62 16630 1 . VAL 63 63 16630 1 . PRO 64 64 16630 1 . ASN 65 65 16630 1 . THR 66 66 16630 1 . LYS 67 67 16630 1 . ALA 68 68 16630 1 . LEU 69 69 16630 1 . LEU 70 70 16630 1 . TYR 71 71 16630 1 . SER 72 72 16630 1 . GLY 73 73 16630 1 . ARG 74 74 16630 1 . LYS 75 75 16630 1 . ASP 76 76 16630 1 . THR 77 77 16630 1 . GLY 78 78 16630 1 . PRO 79 79 16630 1 . VAL 80 80 16630 1 . ALA 81 81 16630 1 . THR 82 82 16630 1 . GLY 83 83 16630 1 . ALA 84 84 16630 1 . VAL 85 85 16630 1 . ALA 86 86 16630 1 . ALA 87 87 16630 1 . PHE 88 88 16630 1 . ALA 89 89 16630 1 . TYR 90 90 16630 1 . TYR 91 91 16630 1 . MET 92 92 16630 1 . SER 93 93 16630 1 . SER 94 94 16630 1 . GLY 95 95 16630 1 . ASN 96 96 16630 1 . THR 97 97 16630 1 . LEU 98 98 16630 1 . GLY 99 99 16630 1 . VAL 100 100 16630 1 . MET 101 101 16630 1 . PHE 102 102 16630 1 . SER 103 103 16630 1 . VAL 104 104 16630 1 . PRO 105 105 16630 1 . PHE 106 106 16630 1 . ASP 107 107 16630 1 . TYR 108 108 16630 1 . ASN 109 109 16630 1 . TRP 110 110 16630 1 . ASN 111 111 16630 1 . SER 112 112 16630 1 . ASN 113 113 16630 1 . TRP 114 114 16630 1 . TRP 115 115 16630 1 . ASP 116 116 16630 1 . VAL 117 117 16630 1 . LYS 118 118 16630 1 . ILE 119 119 16630 1 . TYR 120 120 16630 1 . SER 121 121 16630 1 . GLY 122 122 16630 1 . LYS 123 123 16630 1 . ARG 124 124 16630 1 . ARG 125 125 16630 1 . ALA 126 126 16630 1 . ASP 127 127 16630 1 . GLN 128 128 16630 1 . GLY 129 129 16630 1 . MET 130 130 16630 1 . TYR 131 131 16630 1 . GLU 132 132 16630 1 . ASP 133 133 16630 1 . LEU 134 134 16630 1 . TYR 135 135 16630 1 . TYR 136 136 16630 1 . GLY 137 137 16630 1 . ASN 138 138 16630 1 . PRO 139 139 16630 1 . TYR 140 140 16630 1 . ARG 141 141 16630 1 . GLY 142 142 16630 1 . ASP 143 143 16630 1 . ASN 144 144 16630 1 . GLY 145 145 16630 1 . TRP 146 146 16630 1 . HIS 147 147 16630 1 . GLU 148 148 16630 1 . LYS 149 149 16630 1 . ASN 150 150 16630 1 . LEU 151 151 16630 1 . GLY 152 152 16630 1 . TYR 153 153 16630 1 . GLY 154 154 16630 1 . LEU 155 155 16630 1 . ARG 156 156 16630 1 . MET 157 157 16630 1 . LYS 158 158 16630 1 . GLY 159 159 16630 1 . ILE 160 160 16630 1 . MET 161 161 16630 1 . THR 162 162 16630 1 . SER 163 163 16630 1 . ALA 164 164 16630 1 . GLY 165 165 16630 1 . GLU 166 166 16630 1 . ALA 167 167 16630 1 . LYS 168 168 16630 1 . MET 169 169 16630 1 . GLN 170 170 16630 1 . ILE 171 171 16630 1 . LYS 172 172 16630 1 . ILE 173 173 16630 1 . SER 174 174 16630 1 . ARG 175 175 16630 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 16630 _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 $stnIIY111N . 6123 organism . 'Stichodactyla helianthus' 'Stichodactyla helianthus' . . Eukaryota Metazoa Stichodactyla helianthus . . . . . . . . . . . . . . . . . . . . . 16630 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 16630 _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 $stnIIY111N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pQE60 . . . . . . 16630 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16630 _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 stnIIY111N '[U-100% 13C; U-100% 15N]' . . 1 $stnIIY111N . . 0.5 . . mM 0.1 . . . 16630 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16630 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16630 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16630 _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 stnIIY111N '[U-100% 13C; U-100% 15N]' . . 1 $stnIIY111N . . 0.5 . . mM 0.1 . . . 16630 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16630 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 16630 _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 16630 1 pressure 1 . atm 16630 1 temperature 298 . K 16630 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16630 _Software.ID 1 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16630 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16630 1 processing 16630 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16630 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.112 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16630 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16630 2 'data analysis' 16630 2 'peak picking' 16630 2 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 16630 _Software.ID 3 _Software.Name GARANT _Software.Version 2.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels, Guntert, Billeter and Wuthrich' . . 16630 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16630 3 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 16630 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Equipped with a crioprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 16630 _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 Avance . 800 'Equipped with a crioprobe' . . 16630 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 16630 _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 . . . . . . . . . . . . . . . . 16630 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 12 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 1 13 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16630 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 16630 _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 0.00 na indirect 0.251449530 . . . . . . . . . 16630 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16630 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16630 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 16630 _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' . . . 16630 1 2 '3D HN(CO)CA' . . . 16630 1 3 '3D HNCA' . . . 16630 1 4 '3D CBCA(CO)NH' . . . 16630 1 5 '3D HNCACB' . . . 16630 1 6 '3D HBHA(CO)NH' . . . 16630 1 8 '3D HNHA' . . . 16630 1 9 '3D 1H-15N NOESY' . . . 16630 1 10 '2D 1H-13C HSQC' . . . 16630 1 11 '3D HCCH-TOCSY' . . . 16630 1 12 '3D 1H-13C NOESY' . . . 16630 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 2 $SPARKY . . 16630 1 3 $GARANT . . 16630 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 4.075 0.009 . 1 . . . . 1 Ala HA . 16630 1 2 . 1 1 1 1 ALA HB1 H 1 1.567 0.013 . 1 . . . . 1 Ala HB1 . 16630 1 3 . 1 1 1 1 ALA HB2 H 1 1.567 0.013 . 1 . . . . 1 Ala HB2 . 16630 1 4 . 1 1 1 1 ALA HB3 H 1 1.567 0.013 . 1 . . . . 1 Ala HB3 . 16630 1 5 . 1 1 1 1 ALA C C 13 173.325 0.000 . 1 . . . . 1 Ala C . 16630 1 6 . 1 1 1 1 ALA CA C 13 51.979 0.118 . 1 . . . . 1 Ala CA . 16630 1 7 . 1 1 1 1 ALA CB C 13 19.051 0.092 . 1 . . . . 1 Ala CB . 16630 1 8 . 1 1 2 2 LEU H H 1 11.219 0.004 . 1 . . . . 2 Leu H . 16630 1 9 . 1 1 2 2 LEU HA H 1 4.309 0.009 . 1 . . . . 2 Leu HA . 16630 1 10 . 1 1 2 2 LEU HB2 H 1 1.367 0.007 . 2 . . . . 2 Leu HB2 . 16630 1 11 . 1 1 2 2 LEU HB3 H 1 1.666 0.009 . 2 . . . . 2 Leu HB3 . 16630 1 12 . 1 1 2 2 LEU HD11 H 1 0.795 0.004 . 2 . . . . 2 Leu HD11 . 16630 1 13 . 1 1 2 2 LEU HD12 H 1 0.795 0.004 . 2 . . . . 2 Leu HD12 . 16630 1 14 . 1 1 2 2 LEU HD13 H 1 0.795 0.004 . 2 . . . . 2 Leu HD13 . 16630 1 15 . 1 1 2 2 LEU HD21 H 1 0.816 0.004 . 2 . . . . 2 Leu HD21 . 16630 1 16 . 1 1 2 2 LEU HD22 H 1 0.816 0.004 . 2 . . . . 2 Leu HD22 . 16630 1 17 . 1 1 2 2 LEU HD23 H 1 0.816 0.004 . 2 . . . . 2 Leu HD23 . 16630 1 18 . 1 1 2 2 LEU HG H 1 1.543 0.004 . 1 . . . . 2 Leu HG . 16630 1 19 . 1 1 2 2 LEU C C 13 178.761 0.000 . 1 . . . . 2 Leu C . 16630 1 20 . 1 1 2 2 LEU CA C 13 56.094 0.108 . 1 . . . . 2 Leu CA . 16630 1 21 . 1 1 2 2 LEU CB C 13 43.925 0.123 . 1 . . . . 2 Leu CB . 16630 1 22 . 1 1 2 2 LEU CD1 C 13 24.315 0.094 . 2 . . . . 2 Leu CD1 . 16630 1 23 . 1 1 2 2 LEU CD2 C 13 25.469 0.073 . 2 . . . . 2 Leu CD2 . 16630 1 24 . 1 1 2 2 LEU CG C 13 27.143 0.091 . 1 . . . . 2 Leu CG . 16630 1 25 . 1 1 2 2 LEU N N 15 124.738 0.013 . 1 . . . . 2 Leu N . 16630 1 26 . 1 1 3 3 ALA H H 1 9.455 0.005 . 1 . . . . 3 Ala H . 16630 1 27 . 1 1 3 3 ALA HA H 1 3.900 0.008 . 1 . . . . 3 Ala HA . 16630 1 28 . 1 1 3 3 ALA HB1 H 1 1.384 0.010 . 1 . . . . 3 Ala HB1 . 16630 1 29 . 1 1 3 3 ALA HB2 H 1 1.384 0.010 . 1 . . . . 3 Ala HB2 . 16630 1 30 . 1 1 3 3 ALA HB3 H 1 1.384 0.010 . 1 . . . . 3 Ala HB3 . 16630 1 31 . 1 1 3 3 ALA C C 13 177.249 0.000 . 1 . . . . 3 Ala C . 16630 1 32 . 1 1 3 3 ALA CA C 13 53.833 0.109 . 1 . . . . 3 Ala CA . 16630 1 33 . 1 1 3 3 ALA CB C 13 19.119 0.069 . 1 . . . . 3 Ala CB . 16630 1 34 . 1 1 3 3 ALA N N 15 123.210 0.014 . 1 . . . . 3 Ala N . 16630 1 35 . 1 1 4 4 GLY H H 1 8.891 0.002 . 1 . . . . 4 Gly H . 16630 1 36 . 1 1 4 4 GLY HA2 H 1 4.067 0.014 . 2 . . . . 4 Gly HA2 . 16630 1 37 . 1 1 4 4 GLY HA3 H 1 4.535 0.009 . 2 . . . . 4 Gly HA3 . 16630 1 38 . 1 1 4 4 GLY C C 13 174.430 0.000 . 1 . . . . 4 Gly C . 16630 1 39 . 1 1 4 4 GLY CA C 13 45.271 0.054 . 1 . . . . 4 Gly CA . 16630 1 40 . 1 1 4 4 GLY N N 15 107.125 0.017 . 1 . . . . 4 Gly N . 16630 1 41 . 1 1 5 5 THR H H 1 7.753 0.010 . 1 . . . . 5 Thr H . 16630 1 42 . 1 1 5 5 THR HA H 1 4.967 0.007 . 1 . . . . 5 Thr HA . 16630 1 43 . 1 1 5 5 THR HB H 1 4.449 0.012 . 1 . . . . 5 Thr HB . 16630 1 44 . 1 1 5 5 THR HG21 H 1 1.219 0.006 . 1 . . . . 5 Thr HG21 . 16630 1 45 . 1 1 5 5 THR HG22 H 1 1.219 0.006 . 1 . . . . 5 Thr HG22 . 16630 1 46 . 1 1 5 5 THR HG23 H 1 1.219 0.006 . 1 . . . . 5 Thr HG23 . 16630 1 47 . 1 1 5 5 THR C C 13 171.808 0.000 . 1 . . . . 5 Thr C . 16630 1 48 . 1 1 5 5 THR CA C 13 60.569 0.172 . 1 . . . . 5 Thr CA . 16630 1 49 . 1 1 5 5 THR CB C 13 72.060 0.167 . 1 . . . . 5 Thr CB . 16630 1 50 . 1 1 5 5 THR CG2 C 13 21.396 0.001 . 1 . . . . 5 Thr CG2 . 16630 1 51 . 1 1 5 5 THR N N 15 111.879 0.030 . 1 . . . . 5 Thr N . 16630 1 52 . 1 1 6 6 ILE H H 1 7.790 0.004 . 1 . . . . 6 Ile H . 16630 1 53 . 1 1 6 6 ILE HA H 1 5.606 0.011 . 1 . . . . 6 Ile HA . 16630 1 54 . 1 1 6 6 ILE HB H 1 1.892 0.011 . 1 . . . . 6 Ile HB . 16630 1 55 . 1 1 6 6 ILE HD11 H 1 0.988 0.004 . 1 . . . . 6 Ile HD11 . 16630 1 56 . 1 1 6 6 ILE HD12 H 1 0.988 0.004 . 1 . . . . 6 Ile HD12 . 16630 1 57 . 1 1 6 6 ILE HD13 H 1 0.988 0.004 . 1 . . . . 6 Ile HD13 . 16630 1 58 . 1 1 6 6 ILE HG12 H 1 1.371 0.004 . 2 . . . . 6 Ile HG12 . 16630 1 59 . 1 1 6 6 ILE HG13 H 1 1.605 0.005 . 2 . . . . 6 Ile HG13 . 16630 1 60 . 1 1 6 6 ILE HG21 H 1 1.064 0.011 . 1 . . . . 6 Ile HG21 . 16630 1 61 . 1 1 6 6 ILE HG22 H 1 1.064 0.011 . 1 . . . . 6 Ile HG22 . 16630 1 62 . 1 1 6 6 ILE HG23 H 1 1.064 0.011 . 1 . . . . 6 Ile HG23 . 16630 1 63 . 1 1 6 6 ILE C C 13 176.417 0.000 . 1 . . . . 6 Ile C . 16630 1 64 . 1 1 6 6 ILE CA C 13 58.229 0.139 . 1 . . . . 6 Ile CA . 16630 1 65 . 1 1 6 6 ILE CB C 13 41.210 0.147 . 1 . . . . 6 Ile CB . 16630 1 66 . 1 1 6 6 ILE CD1 C 13 14.455 0.050 . 1 . . . . 6 Ile CD1 . 16630 1 67 . 1 1 6 6 ILE CG1 C 13 25.902 0.113 . 1 . . . . 6 Ile CG1 . 16630 1 68 . 1 1 6 6 ILE CG2 C 13 19.057 0.093 . 1 . . . . 6 Ile CG2 . 16630 1 69 . 1 1 6 6 ILE N N 15 110.483 0.016 . 1 . . . . 6 Ile N . 16630 1 70 . 1 1 7 7 ILE H H 1 9.022 0.005 . 1 . . . . 7 Ile H . 16630 1 71 . 1 1 7 7 ILE HA H 1 4.837 0.006 . 1 . . . . 7 Ile HA . 16630 1 72 . 1 1 7 7 ILE HB H 1 2.011 0.004 . 1 . . . . 7 Ile HB . 16630 1 73 . 1 1 7 7 ILE HD11 H 1 0.777 0.004 . 1 . . . . 7 Ile HD11 . 16630 1 74 . 1 1 7 7 ILE HD12 H 1 0.777 0.004 . 1 . . . . 7 Ile HD12 . 16630 1 75 . 1 1 7 7 ILE HD13 H 1 0.777 0.004 . 1 . . . . 7 Ile HD13 . 16630 1 76 . 1 1 7 7 ILE HG12 H 1 1.324 0.002 . 1 . . . . 7 Ile HG12 . 16630 1 77 . 1 1 7 7 ILE HG13 H 1 1.324 0.002 . 1 . . . . 7 Ile HG13 . 16630 1 78 . 1 1 7 7 ILE HG21 H 1 0.879 0.005 . 1 . . . . 7 Ile HG21 . 16630 1 79 . 1 1 7 7 ILE HG22 H 1 0.879 0.005 . 1 . . . . 7 Ile HG22 . 16630 1 80 . 1 1 7 7 ILE HG23 H 1 0.879 0.005 . 1 . . . . 7 Ile HG23 . 16630 1 81 . 1 1 7 7 ILE C C 13 175.180 0.000 . 1 . . . . 7 Ile C . 16630 1 82 . 1 1 7 7 ILE CA C 13 59.115 0.073 . 1 . . . . 7 Ile CA . 16630 1 83 . 1 1 7 7 ILE CB C 13 43.257 0.096 . 1 . . . . 7 Ile CB . 16630 1 84 . 1 1 7 7 ILE CD1 C 13 14.148 0.070 . 1 . . . . 7 Ile CD1 . 16630 1 85 . 1 1 7 7 ILE CG1 C 13 25.386 0.054 . 1 . . . . 7 Ile CG1 . 16630 1 86 . 1 1 7 7 ILE CG2 C 13 17.864 0.051 . 1 . . . . 7 Ile CG2 . 16630 1 87 . 1 1 7 7 ILE N N 15 116.857 0.013 . 1 . . . . 7 Ile N . 16630 1 88 . 1 1 8 8 ALA H H 1 8.726 0.008 . 1 . . . . 8 Ala H . 16630 1 89 . 1 1 8 8 ALA HA H 1 4.340 0.010 . 1 . . . . 8 Ala HA . 16630 1 90 . 1 1 8 8 ALA HB1 H 1 1.514 0.007 . 1 . . . . 8 Ala HB1 . 16630 1 91 . 1 1 8 8 ALA HB2 H 1 1.514 0.007 . 1 . . . . 8 Ala HB2 . 16630 1 92 . 1 1 8 8 ALA HB3 H 1 1.514 0.007 . 1 . . . . 8 Ala HB3 . 16630 1 93 . 1 1 8 8 ALA C C 13 180.160 0.000 . 1 . . . . 8 Ala C . 16630 1 94 . 1 1 8 8 ALA CA C 13 53.570 0.097 . 1 . . . . 8 Ala CA . 16630 1 95 . 1 1 8 8 ALA CB C 13 17.804 0.062 . 1 . . . . 8 Ala CB . 16630 1 96 . 1 1 8 8 ALA N N 15 123.962 0.020 . 1 . . . . 8 Ala N . 16630 1 97 . 1 1 9 9 GLY H H 1 9.378 0.003 . 1 . . . . 9 Gly H . 16630 1 98 . 1 1 9 9 GLY HA2 H 1 3.468 0.011 . 2 . . . . 9 Gly HA2 . 16630 1 99 . 1 1 9 9 GLY HA3 H 1 3.695 0.007 . 2 . . . . 9 Gly HA3 . 16630 1 100 . 1 1 9 9 GLY C C 13 176.209 0.000 . 1 . . . . 9 Gly C . 16630 1 101 . 1 1 9 9 GLY CA C 13 48.512 0.062 . 1 . . . . 9 Gly CA . 16630 1 102 . 1 1 9 9 GLY N N 15 115.340 0.023 . 1 . . . . 9 Gly N . 16630 1 103 . 1 1 10 10 ALA H H 1 8.419 0.006 . 1 . . . . 10 Ala H . 16630 1 104 . 1 1 10 10 ALA HA H 1 4.178 0.008 . 1 . . . . 10 Ala HA . 16630 1 105 . 1 1 10 10 ALA HB1 H 1 1.409 0.007 . 1 . . . . 10 Ala HB1 . 16630 1 106 . 1 1 10 10 ALA HB2 H 1 1.409 0.007 . 1 . . . . 10 Ala HB2 . 16630 1 107 . 1 1 10 10 ALA HB3 H 1 1.409 0.007 . 1 . . . . 10 Ala HB3 . 16630 1 108 . 1 1 10 10 ALA C C 13 178.155 0.000 . 1 . . . . 10 Ala C . 16630 1 109 . 1 1 10 10 ALA CA C 13 53.706 0.095 . 1 . . . . 10 Ala CA . 16630 1 110 . 1 1 10 10 ALA CB C 13 18.436 0.073 . 1 . . . . 10 Ala CB . 16630 1 111 . 1 1 10 10 ALA N N 15 120.206 0.022 . 1 . . . . 10 Ala N . 16630 1 112 . 1 1 11 11 SER H H 1 7.810 0.004 . 1 . . . . 11 Ser H . 16630 1 113 . 1 1 11 11 SER HA H 1 4.505 0.009 . 1 . . . . 11 Ser HA . 16630 1 114 . 1 1 11 11 SER HB2 H 1 4.088 0.013 . 1 . . . . 11 Ser HB2 . 16630 1 115 . 1 1 11 11 SER HB3 H 1 4.088 0.013 . 1 . . . . 11 Ser HB3 . 16630 1 116 . 1 1 11 11 SER C C 13 173.669 0.000 . 1 . . . . 11 Ser C . 16630 1 117 . 1 1 11 11 SER CA C 13 58.429 0.141 . 1 . . . . 11 Ser CA . 16630 1 118 . 1 1 11 11 SER CB C 13 64.192 0.130 . 1 . . . . 11 Ser CB . 16630 1 119 . 1 1 11 11 SER N N 15 111.555 0.004 . 1 . . . . 11 Ser N . 16630 1 120 . 1 1 12 12 LEU H H 1 7.414 0.005 . 1 . . . . 12 Leu H . 16630 1 121 . 1 1 12 12 LEU HA H 1 4.028 0.007 . 1 . . . . 12 Leu HA . 16630 1 122 . 1 1 12 12 LEU HB2 H 1 1.085 0.011 . 2 . . . . 12 Leu HB2 . 16630 1 123 . 1 1 12 12 LEU HB3 H 1 2.247 0.008 . 2 . . . . 12 Leu HB3 . 16630 1 124 . 1 1 12 12 LEU HD11 H 1 0.861 0.004 . 2 . . . . 12 Leu HD11 . 16630 1 125 . 1 1 12 12 LEU HD12 H 1 0.861 0.004 . 2 . . . . 12 Leu HD12 . 16630 1 126 . 1 1 12 12 LEU HD13 H 1 0.861 0.004 . 2 . . . . 12 Leu HD13 . 16630 1 127 . 1 1 12 12 LEU HD21 H 1 0.963 0.006 . 2 . . . . 12 Leu HD21 . 16630 1 128 . 1 1 12 12 LEU HD22 H 1 0.963 0.006 . 2 . . . . 12 Leu HD22 . 16630 1 129 . 1 1 12 12 LEU HD23 H 1 0.963 0.006 . 2 . . . . 12 Leu HD23 . 16630 1 130 . 1 1 12 12 LEU HG H 1 1.492 0.006 . 1 . . . . 12 Leu HG . 16630 1 131 . 1 1 12 12 LEU C C 13 173.899 0.000 . 1 . . . . 12 Leu C . 16630 1 132 . 1 1 12 12 LEU CA C 13 56.814 0.111 . 1 . . . . 12 Leu CA . 16630 1 133 . 1 1 12 12 LEU CB C 13 40.822 0.154 . 1 . . . . 12 Leu CB . 16630 1 134 . 1 1 12 12 LEU CD1 C 13 23.772 0.168 . 2 . . . . 12 Leu CD1 . 16630 1 135 . 1 1 12 12 LEU CD2 C 13 26.837 0.085 . 2 . . . . 12 Leu CD2 . 16630 1 136 . 1 1 12 12 LEU CG C 13 26.801 0.129 . 1 . . . . 12 Leu CG . 16630 1 137 . 1 1 12 12 LEU N N 15 122.035 0.017 . 1 . . . . 12 Leu N . 16630 1 138 . 1 1 13 13 THR H H 1 6.828 0.010 . 1 . . . . 13 Thr H . 16630 1 139 . 1 1 13 13 THR HA H 1 4.922 0.011 . 1 . . . . 13 Thr HA . 16630 1 140 . 1 1 13 13 THR HB H 1 4.797 0.019 . 1 . . . . 13 Thr HB . 16630 1 141 . 1 1 13 13 THR HG21 H 1 1.260 0.007 . 1 . . . . 13 Thr HG21 . 16630 1 142 . 1 1 13 13 THR HG22 H 1 1.260 0.007 . 1 . . . . 13 Thr HG22 . 16630 1 143 . 1 1 13 13 THR HG23 H 1 1.260 0.007 . 1 . . . . 13 Thr HG23 . 16630 1 144 . 1 1 13 13 THR C C 13 175.469 0.000 . 1 . . . . 13 Thr C . 16630 1 145 . 1 1 13 13 THR CA C 13 59.263 0.111 . 1 . . . . 13 Thr CA . 16630 1 146 . 1 1 13 13 THR CB C 13 74.245 0.139 . 1 . . . . 13 Thr CB . 16630 1 147 . 1 1 13 13 THR CG2 C 13 21.217 0.170 . 1 . . . . 13 Thr CG2 . 16630 1 148 . 1 1 13 13 THR N N 15 117.002 0.012 . 1 . . . . 13 Thr N . 16630 1 149 . 1 1 14 14 PHE H H 1 9.323 0.005 . 1 . . . . 14 Phe H . 16630 1 150 . 1 1 14 14 PHE HA H 1 4.406 0.008 . 1 . . . . 14 Phe HA . 16630 1 151 . 1 1 14 14 PHE HB2 H 1 3.191 0.013 . 2 . . . . 14 Phe HB2 . 16630 1 152 . 1 1 14 14 PHE HB3 H 1 3.366 0.016 . 2 . . . . 14 Phe HB3 . 16630 1 153 . 1 1 14 14 PHE HD1 H 1 7.402 0.000 . 3 . . . . 14 Phe HD1 . 16630 1 154 . 1 1 14 14 PHE HD2 H 1 7.402 0.000 . 3 . . . . 14 Phe HD2 . 16630 1 155 . 1 1 14 14 PHE HE1 H 1 7.254 0.000 . 3 . . . . 14 Phe HE1 . 16630 1 156 . 1 1 14 14 PHE HE2 H 1 7.254 0.000 . 3 . . . . 14 Phe HE2 . 16630 1 157 . 1 1 14 14 PHE HZ H 1 7.019 0.000 . 1 . . . . 14 Phe HZ . 16630 1 158 . 1 1 14 14 PHE C C 13 177.348 0.000 . 1 . . . . 14 Phe C . 16630 1 159 . 1 1 14 14 PHE CA C 13 59.334 0.097 . 1 . . . . 14 Phe CA . 16630 1 160 . 1 1 14 14 PHE CB C 13 37.146 0.129 . 1 . . . . 14 Phe CB . 16630 1 161 . 1 1 14 14 PHE N N 15 120.682 0.031 . 1 . . . . 14 Phe N . 16630 1 162 . 1 1 15 15 GLN H H 1 8.171 0.007 . 1 . . . . 15 Gln H . 16630 1 163 . 1 1 15 15 GLN HA H 1 4.291 0.013 . 1 . . . . 15 Gln HA . 16630 1 164 . 1 1 15 15 GLN HB2 H 1 2.114 0.016 . 2 . . . . 15 Gln HB2 . 16630 1 165 . 1 1 15 15 GLN HB3 H 1 2.178 0.024 . 2 . . . . 15 Gln HB3 . 16630 1 166 . 1 1 15 15 GLN HE21 H 1 6.923 0.002 . 1 . . . . 15 Gln HE21 . 16630 1 167 . 1 1 15 15 GLN HE22 H 1 7.661 0.001 . 1 . . . . 15 Gln HE22 . 16630 1 168 . 1 1 15 15 GLN HG2 H 1 2.522 0.009 . 1 . . . . 15 Gln HG2 . 16630 1 169 . 1 1 15 15 GLN HG3 H 1 2.522 0.009 . 1 . . . . 15 Gln HG3 . 16630 1 170 . 1 1 15 15 GLN C C 13 179.501 0.000 . 1 . . . . 15 Gln C . 16630 1 171 . 1 1 15 15 GLN CA C 13 60.143 0.135 . 1 . . . . 15 Gln CA . 16630 1 172 . 1 1 15 15 GLN CB C 13 28.075 0.153 . 1 . . . . 15 Gln CB . 16630 1 173 . 1 1 15 15 GLN CG C 13 34.834 0.078 . 1 . . . . 15 Gln CG . 16630 1 174 . 1 1 15 15 GLN N N 15 118.802 0.022 . 1 . . . . 15 Gln N . 16630 1 175 . 1 1 15 15 GLN NE2 N 15 112.310 0.024 . 1 . . . . 15 Gln NE2 . 16630 1 176 . 1 1 16 16 VAL H H 1 7.477 0.002 . 1 . . . . 16 Val H . 16630 1 177 . 1 1 16 16 VAL HA H 1 3.710 0.006 . 1 . . . . 16 Val HA . 16630 1 178 . 1 1 16 16 VAL HB H 1 2.270 0.009 . 1 . . . . 16 Val HB . 16630 1 179 . 1 1 16 16 VAL HG11 H 1 1.015 0.009 . 2 . . . . 16 Val HG11 . 16630 1 180 . 1 1 16 16 VAL HG12 H 1 1.015 0.009 . 2 . . . . 16 Val HG12 . 16630 1 181 . 1 1 16 16 VAL HG13 H 1 1.015 0.009 . 2 . . . . 16 Val HG13 . 16630 1 182 . 1 1 16 16 VAL HG21 H 1 1.241 0.005 . 2 . . . . 16 Val HG21 . 16630 1 183 . 1 1 16 16 VAL HG22 H 1 1.241 0.005 . 2 . . . . 16 Val HG22 . 16630 1 184 . 1 1 16 16 VAL HG23 H 1 1.241 0.005 . 2 . . . . 16 Val HG23 . 16630 1 185 . 1 1 16 16 VAL C C 13 178.089 0.000 . 1 . . . . 16 Val C . 16630 1 186 . 1 1 16 16 VAL CA C 13 66.341 0.131 . 1 . . . . 16 Val CA . 16630 1 187 . 1 1 16 16 VAL CB C 13 32.379 0.085 . 1 . . . . 16 Val CB . 16630 1 188 . 1 1 16 16 VAL CG1 C 13 21.949 0.138 . 2 . . . . 16 Val CG1 . 16630 1 189 . 1 1 16 16 VAL CG2 C 13 22.956 0.120 . 2 . . . . 16 Val CG2 . 16630 1 190 . 1 1 16 16 VAL N N 15 120.852 0.026 . 1 . . . . 16 Val N . 16630 1 191 . 1 1 17 17 LEU H H 1 7.420 0.005 . 1 . . . . 17 Leu H . 16630 1 192 . 1 1 17 17 LEU HA H 1 3.971 0.007 . 1 . . . . 17 Leu HA . 16630 1 193 . 1 1 17 17 LEU HB2 H 1 1.830 0.006 . 2 . . . . 17 Leu HB2 . 16630 1 194 . 1 1 17 17 LEU HB3 H 1 1.168 0.009 . 2 . . . . 17 Leu HB3 . 16630 1 195 . 1 1 17 17 LEU HD11 H 1 0.644 0.004 . 2 . . . . 17 Leu HD11 . 16630 1 196 . 1 1 17 17 LEU HD12 H 1 0.644 0.004 . 2 . . . . 17 Leu HD12 . 16630 1 197 . 1 1 17 17 LEU HD13 H 1 0.644 0.004 . 2 . . . . 17 Leu HD13 . 16630 1 198 . 1 1 17 17 LEU HD21 H 1 0.806 0.005 . 2 . . . . 17 Leu HD21 . 16630 1 199 . 1 1 17 17 LEU HD22 H 1 0.806 0.005 . 2 . . . . 17 Leu HD22 . 16630 1 200 . 1 1 17 17 LEU HD23 H 1 0.806 0.005 . 2 . . . . 17 Leu HD23 . 16630 1 201 . 1 1 17 17 LEU HG H 1 1.817 0.009 . 1 . . . . 17 Leu HG . 16630 1 202 . 1 1 17 17 LEU C C 13 178.778 0.000 . 1 . . . . 17 Leu C . 16630 1 203 . 1 1 17 17 LEU CA C 13 57.754 0.091 . 1 . . . . 17 Leu CA . 16630 1 204 . 1 1 17 17 LEU CB C 13 40.255 0.111 . 1 . . . . 17 Leu CB . 16630 1 205 . 1 1 17 17 LEU CD1 C 13 21.894 0.088 . 2 . . . . 17 Leu CD1 . 16630 1 206 . 1 1 17 17 LEU CD2 C 13 26.584 0.071 . 2 . . . . 17 Leu CD2 . 16630 1 207 . 1 1 17 17 LEU CG C 13 26.594 0.067 . 1 . . . . 17 Leu CG . 16630 1 208 . 1 1 17 17 LEU N N 15 117.875 0.010 . 1 . . . . 17 Leu N . 16630 1 209 . 1 1 18 18 ASP H H 1 8.621 0.004 . 1 . . . . 18 Asp H . 16630 1 210 . 1 1 18 18 ASP HA H 1 4.517 0.016 . 1 . . . . 18 Asp HA . 16630 1 211 . 1 1 18 18 ASP HB2 H 1 2.615 0.009 . 2 . . . . 18 Asp HB2 . 16630 1 212 . 1 1 18 18 ASP HB3 H 1 2.861 0.019 . 2 . . . . 18 Asp HB3 . 16630 1 213 . 1 1 18 18 ASP C C 13 179.407 0.000 . 1 . . . . 18 Asp C . 16630 1 214 . 1 1 18 18 ASP CA C 13 57.806 0.141 . 1 . . . . 18 Asp CA . 16630 1 215 . 1 1 18 18 ASP CB C 13 39.798 0.179 . 1 . . . . 18 Asp CB . 16630 1 216 . 1 1 18 18 ASP N N 15 120.896 0.015 . 1 . . . . 18 Asp N . 16630 1 217 . 1 1 19 19 LYS H H 1 7.454 0.002 . 1 . . . . 19 Lys H . 16630 1 218 . 1 1 19 19 LYS HA H 1 4.123 0.011 . 1 . . . . 19 Lys HA . 16630 1 219 . 1 1 19 19 LYS HB2 H 1 1.890 0.025 . 2 . . . . 19 Lys HB2 . 16630 1 220 . 1 1 19 19 LYS HB3 H 1 2.155 0.013 . 2 . . . . 19 Lys HB3 . 16630 1 221 . 1 1 19 19 LYS HD2 H 1 1.689 0.003 . 1 . . . . 19 Lys HD2 . 16630 1 222 . 1 1 19 19 LYS HD3 H 1 1.689 0.003 . 1 . . . . 19 Lys HD3 . 16630 1 223 . 1 1 19 19 LYS HE2 H 1 3.000 0.008 . 1 . . . . 19 Lys HE2 . 16630 1 224 . 1 1 19 19 LYS HE3 H 1 3.000 0.008 . 1 . . . . 19 Lys HE3 . 16630 1 225 . 1 1 19 19 LYS HG2 H 1 1.514 0.004 . 2 . . . . 19 Lys HG2 . 16630 1 226 . 1 1 19 19 LYS HG3 H 1 1.688 0.005 . 2 . . . . 19 Lys HG3 . 16630 1 227 . 1 1 19 19 LYS C C 13 179.899 0.000 . 1 . . . . 19 Lys C . 16630 1 228 . 1 1 19 19 LYS CA C 13 59.246 0.099 . 1 . . . . 19 Lys CA . 16630 1 229 . 1 1 19 19 LYS CB C 13 31.653 0.158 . 1 . . . . 19 Lys CB . 16630 1 230 . 1 1 19 19 LYS CD C 13 28.937 0.065 . 1 . . . . 19 Lys CD . 16630 1 231 . 1 1 19 19 LYS CE C 13 42.019 0.076 . 1 . . . . 19 Lys CE . 16630 1 232 . 1 1 19 19 LYS CG C 13 25.262 0.114 . 1 . . . . 19 Lys CG . 16630 1 233 . 1 1 19 19 LYS N N 15 121.465 0.018 . 1 . . . . 19 Lys N . 16630 1 234 . 1 1 20 20 VAL H H 1 7.676 0.009 . 1 . . . . 20 Val H . 16630 1 235 . 1 1 20 20 VAL HA H 1 3.664 0.007 . 1 . . . . 20 Val HA . 16630 1 236 . 1 1 20 20 VAL HB H 1 2.472 0.013 . 1 . . . . 20 Val HB . 16630 1 237 . 1 1 20 20 VAL HG11 H 1 1.028 0.008 . 1 . . . . 20 Val HG11 . 16630 1 238 . 1 1 20 20 VAL HG12 H 1 1.028 0.008 . 1 . . . . 20 Val HG12 . 16630 1 239 . 1 1 20 20 VAL HG13 H 1 1.028 0.008 . 1 . . . . 20 Val HG13 . 16630 1 240 . 1 1 20 20 VAL HG21 H 1 1.028 0.008 . 1 . . . . 20 Val HG21 . 16630 1 241 . 1 1 20 20 VAL HG22 H 1 1.028 0.008 . 1 . . . . 20 Val HG22 . 16630 1 242 . 1 1 20 20 VAL HG23 H 1 1.028 0.008 . 1 . . . . 20 Val HG23 . 16630 1 243 . 1 1 20 20 VAL C C 13 177.969 0.000 . 1 . . . . 20 Val C . 16630 1 244 . 1 1 20 20 VAL CA C 13 66.171 0.138 . 1 . . . . 20 Val CA . 16630 1 245 . 1 1 20 20 VAL CB C 13 30.941 0.084 . 1 . . . . 20 Val CB . 16630 1 246 . 1 1 20 20 VAL CG1 C 13 23.286 0.153 . 1 . . . . 20 Val CG1 . 16630 1 247 . 1 1 20 20 VAL CG2 C 13 23.286 0.153 . 1 . . . . 20 Val CG2 . 16630 1 248 . 1 1 20 20 VAL N N 15 122.022 0.009 . 1 . . . . 20 Val N . 16630 1 249 . 1 1 21 21 LEU H H 1 8.127 0.002 . 1 . . . . 21 Leu H . 16630 1 250 . 1 1 21 21 LEU HA H 1 3.990 0.011 . 1 . . . . 21 Leu HA . 16630 1 251 . 1 1 21 21 LEU HB2 H 1 1.257 0.012 . 2 . . . . 21 Leu HB2 . 16630 1 252 . 1 1 21 21 LEU HB3 H 1 2.216 0.008 . 2 . . . . 21 Leu HB3 . 16630 1 253 . 1 1 21 21 LEU HD11 H 1 0.738 0.006 . 2 . . . . 21 Leu HD11 . 16630 1 254 . 1 1 21 21 LEU HD12 H 1 0.738 0.006 . 2 . . . . 21 Leu HD12 . 16630 1 255 . 1 1 21 21 LEU HD13 H 1 0.738 0.006 . 2 . . . . 21 Leu HD13 . 16630 1 256 . 1 1 21 21 LEU HD21 H 1 0.735 0.004 . 2 . . . . 21 Leu HD21 . 16630 1 257 . 1 1 21 21 LEU HD22 H 1 0.735 0.004 . 2 . . . . 21 Leu HD22 . 16630 1 258 . 1 1 21 21 LEU HD23 H 1 0.735 0.004 . 2 . . . . 21 Leu HD23 . 16630 1 259 . 1 1 21 21 LEU HG H 1 1.264 0.000 . 1 . . . . 21 Leu HG . 16630 1 260 . 1 1 21 21 LEU C C 13 181.128 0.000 . 1 . . . . 21 Leu C . 16630 1 261 . 1 1 21 21 LEU CA C 13 58.398 0.196 . 1 . . . . 21 Leu CA . 16630 1 262 . 1 1 21 21 LEU CB C 13 42.293 0.061 . 1 . . . . 21 Leu CB . 16630 1 263 . 1 1 21 21 LEU CD1 C 13 23.178 0.104 . 2 . . . . 21 Leu CD1 . 16630 1 264 . 1 1 21 21 LEU CD2 C 13 25.811 0.071 . 2 . . . . 21 Leu CD2 . 16630 1 265 . 1 1 21 21 LEU CG C 13 25.731 0.000 . 1 . . . . 21 Leu CG . 16630 1 266 . 1 1 21 21 LEU N N 15 118.271 0.011 . 1 . . . . 21 Leu N . 16630 1 267 . 1 1 22 22 GLU H H 1 8.109 0.003 . 1 . . . . 22 Glu H . 16630 1 268 . 1 1 22 22 GLU HA H 1 4.042 0.005 . 1 . . . . 22 Glu HA . 16630 1 269 . 1 1 22 22 GLU HB2 H 1 2.200 0.008 . 2 . . . . 22 Glu HB2 . 16630 1 270 . 1 1 22 22 GLU HB3 H 1 2.408 0.007 . 2 . . . . 22 Glu HB3 . 16630 1 271 . 1 1 22 22 GLU HG2 H 1 2.408 0.004 . 2 . . . . 22 Glu HG2 . 16630 1 272 . 1 1 22 22 GLU HG3 H 1 2.528 0.008 . 2 . . . . 22 Glu HG3 . 16630 1 273 . 1 1 22 22 GLU C C 13 179.555 0.000 . 1 . . . . 22 Glu C . 16630 1 274 . 1 1 22 22 GLU CA C 13 59.023 0.172 . 1 . . . . 22 Glu CA . 16630 1 275 . 1 1 22 22 GLU CB C 13 28.819 0.177 . 1 . . . . 22 Glu CB . 16630 1 276 . 1 1 22 22 GLU CG C 13 34.626 0.067 . 1 . . . . 22 Glu CG . 16630 1 277 . 1 1 22 22 GLU N N 15 120.803 0.029 . 1 . . . . 22 Glu N . 16630 1 278 . 1 1 23 23 GLU H H 1 7.807 0.003 . 1 . . . . 23 Glu H . 16630 1 279 . 1 1 23 23 GLU HA H 1 4.262 0.007 . 1 . . . . 23 Glu HA . 16630 1 280 . 1 1 23 23 GLU HB2 H 1 2.188 0.073 . 2 . . . . 23 Glu HB2 . 16630 1 281 . 1 1 23 23 GLU HB3 H 1 2.315 0.008 . 2 . . . . 23 Glu HB3 . 16630 1 282 . 1 1 23 23 GLU HG2 H 1 2.337 0.012 . 2 . . . . 23 Glu HG2 . 16630 1 283 . 1 1 23 23 GLU HG3 H 1 2.927 0.010 . 2 . . . . 23 Glu HG3 . 16630 1 284 . 1 1 23 23 GLU C C 13 177.336 0.000 . 1 . . . . 23 Glu C . 16630 1 285 . 1 1 23 23 GLU CA C 13 57.647 0.110 . 1 . . . . 23 Glu CA . 16630 1 286 . 1 1 23 23 GLU CB C 13 28.632 0.114 . 1 . . . . 23 Glu CB . 16630 1 287 . 1 1 23 23 GLU CG C 13 35.131 0.144 . 1 . . . . 23 Glu CG . 16630 1 288 . 1 1 23 23 GLU N N 15 120.236 0.005 . 1 . . . . 23 Glu N . 16630 1 289 . 1 1 24 24 LEU H H 1 7.221 0.002 . 1 . . . . 24 Leu H . 16630 1 290 . 1 1 24 24 LEU HA H 1 4.218 0.007 . 1 . . . . 24 Leu HA . 16630 1 291 . 1 1 24 24 LEU HB2 H 1 1.441 0.011 . 2 . . . . 24 Leu HB2 . 16630 1 292 . 1 1 24 24 LEU HB3 H 1 1.970 0.017 . 2 . . . . 24 Leu HB3 . 16630 1 293 . 1 1 24 24 LEU HD11 H 1 0.888 0.005 . 2 . . . . 24 Leu HD11 . 16630 1 294 . 1 1 24 24 LEU HD12 H 1 0.888 0.005 . 2 . . . . 24 Leu HD12 . 16630 1 295 . 1 1 24 24 LEU HD13 H 1 0.888 0.005 . 2 . . . . 24 Leu HD13 . 16630 1 296 . 1 1 24 24 LEU HD21 H 1 0.999 0.010 . 2 . . . . 24 Leu HD21 . 16630 1 297 . 1 1 24 24 LEU HD22 H 1 0.999 0.010 . 2 . . . . 24 Leu HD22 . 16630 1 298 . 1 1 24 24 LEU HD23 H 1 0.999 0.010 . 2 . . . . 24 Leu HD23 . 16630 1 299 . 1 1 24 24 LEU HG H 1 1.949 0.006 . 1 . . . . 24 Leu HG . 16630 1 300 . 1 1 24 24 LEU C C 13 177.383 0.000 . 1 . . . . 24 Leu C . 16630 1 301 . 1 1 24 24 LEU CA C 13 55.986 0.152 . 1 . . . . 24 Leu CA . 16630 1 302 . 1 1 24 24 LEU CB C 13 44.471 0.119 . 1 . . . . 24 Leu CB . 16630 1 303 . 1 1 24 24 LEU CD1 C 13 24.545 0.079 . 2 . . . . 24 Leu CD1 . 16630 1 304 . 1 1 24 24 LEU CD2 C 13 27.489 0.142 . 2 . . . . 24 Leu CD2 . 16630 1 305 . 1 1 24 24 LEU CG C 13 27.332 0.053 . 1 . . . . 24 Leu CG . 16630 1 306 . 1 1 24 24 LEU N N 15 119.900 0.011 . 1 . . . . 24 Leu N . 16630 1 307 . 1 1 25 25 GLY H H 1 7.412 0.002 . 1 . . . . 25 Gly H . 16630 1 308 . 1 1 25 25 GLY HA2 H 1 3.867 0.012 . 2 . . . . 25 Gly HA2 . 16630 1 309 . 1 1 25 25 GLY HA3 H 1 4.093 0.005 . 2 . . . . 25 Gly HA3 . 16630 1 310 . 1 1 25 25 GLY C C 13 174.713 0.000 . 1 . . . . 25 Gly C . 16630 1 311 . 1 1 25 25 GLY CA C 13 44.969 0.084 . 1 . . . . 25 Gly CA . 16630 1 312 . 1 1 25 25 GLY N N 15 103.794 0.009 . 1 . . . . 25 Gly N . 16630 1 313 . 1 1 26 26 LYS H H 1 8.630 0.002 . 1 . . . . 26 Lys H . 16630 1 314 . 1 1 26 26 LYS HA H 1 4.331 0.008 . 1 . . . . 26 Lys HA . 16630 1 315 . 1 1 26 26 LYS HB2 H 1 1.719 0.013 . 2 . . . . 26 Lys HB2 . 16630 1 316 . 1 1 26 26 LYS HB3 H 1 1.898 0.006 . 2 . . . . 26 Lys HB3 . 16630 1 317 . 1 1 26 26 LYS HD2 H 1 1.689 0.003 . 1 . . . . 26 Lys HD2 . 16630 1 318 . 1 1 26 26 LYS HD3 H 1 1.689 0.003 . 1 . . . . 26 Lys HD3 . 16630 1 319 . 1 1 26 26 LYS HE2 H 1 3.004 0.005 . 1 . . . . 26 Lys HE2 . 16630 1 320 . 1 1 26 26 LYS HE3 H 1 3.004 0.005 . 1 . . . . 26 Lys HE3 . 16630 1 321 . 1 1 26 26 LYS HG2 H 1 1.382 0.005 . 2 . . . . 26 Lys HG2 . 16630 1 322 . 1 1 26 26 LYS HG3 H 1 1.463 0.006 . 2 . . . . 26 Lys HG3 . 16630 1 323 . 1 1 26 26 LYS C C 13 175.523 0.000 . 1 . . . . 26 Lys C . 16630 1 324 . 1 1 26 26 LYS CA C 13 56.305 0.098 . 1 . . . . 26 Lys CA . 16630 1 325 . 1 1 26 26 LYS CB C 13 30.959 0.111 . 1 . . . . 26 Lys CB . 16630 1 326 . 1 1 26 26 LYS CD C 13 29.132 0.095 . 1 . . . . 26 Lys CD . 16630 1 327 . 1 1 26 26 LYS CE C 13 42.097 0.127 . 1 . . . . 26 Lys CE . 16630 1 328 . 1 1 26 26 LYS CG C 13 24.836 0.067 . 1 . . . . 26 Lys CG . 16630 1 329 . 1 1 26 26 LYS N N 15 122.393 0.025 . 1 . . . . 26 Lys N . 16630 1 330 . 1 1 27 27 VAL H H 1 7.607 0.005 . 1 . . . . 27 Val H . 16630 1 331 . 1 1 27 27 VAL HA H 1 4.459 0.009 . 1 . . . . 27 Val HA . 16630 1 332 . 1 1 27 27 VAL HB H 1 2.067 0.011 . 1 . . . . 27 Val HB . 16630 1 333 . 1 1 27 27 VAL HG11 H 1 1.008 0.011 . 2 . . . . 27 Val HG11 . 16630 1 334 . 1 1 27 27 VAL HG12 H 1 1.008 0.011 . 2 . . . . 27 Val HG12 . 16630 1 335 . 1 1 27 27 VAL HG13 H 1 1.008 0.011 . 2 . . . . 27 Val HG13 . 16630 1 336 . 1 1 27 27 VAL HG21 H 1 1.017 0.004 . 2 . . . . 27 Val HG21 . 16630 1 337 . 1 1 27 27 VAL HG22 H 1 1.017 0.004 . 2 . . . . 27 Val HG22 . 16630 1 338 . 1 1 27 27 VAL HG23 H 1 1.017 0.004 . 2 . . . . 27 Val HG23 . 16630 1 339 . 1 1 27 27 VAL C C 13 176.619 0.000 . 1 . . . . 27 Val C . 16630 1 340 . 1 1 27 27 VAL CA C 13 61.091 0.154 . 1 . . . . 27 Val CA . 16630 1 341 . 1 1 27 27 VAL CB C 13 33.772 0.122 . 1 . . . . 27 Val CB . 16630 1 342 . 1 1 27 27 VAL CG1 C 13 21.755 0.085 . 1 . . . . 27 Val CG1 . 16630 1 343 . 1 1 27 27 VAL CG2 C 13 21.755 0.085 . 1 . . . . 27 Val CG2 . 16630 1 344 . 1 1 27 27 VAL N N 15 122.592 0.013 . 1 . . . . 27 Val N . 16630 1 345 . 1 1 28 28 SER H H 1 8.605 0.006 . 1 . . . . 28 Ser H . 16630 1 346 . 1 1 28 28 SER HA H 1 4.299 0.006 . 1 . . . . 28 Ser HA . 16630 1 347 . 1 1 28 28 SER HB2 H 1 4.023 0.009 . 1 . . . . 28 Ser HB2 . 16630 1 348 . 1 1 28 28 SER HB3 H 1 4.023 0.009 . 1 . . . . 28 Ser HB3 . 16630 1 349 . 1 1 28 28 SER C C 13 176.436 0.000 . 1 . . . . 28 Ser C . 16630 1 350 . 1 1 28 28 SER CA C 13 60.920 0.181 . 1 . . . . 28 Ser CA . 16630 1 351 . 1 1 28 28 SER CB C 13 63.889 0.125 . 1 . . . . 28 Ser CB . 16630 1 352 . 1 1 28 28 SER N N 15 118.069 0.026 . 1 . . . . 28 Ser N . 16630 1 353 . 1 1 29 29 ARG H H 1 6.623 0.003 . 1 . . . . 29 Arg H . 16630 1 354 . 1 1 29 29 ARG HA H 1 5.440 0.011 . 1 . . . . 29 Arg HA . 16630 1 355 . 1 1 29 29 ARG HB2 H 1 1.484 0.007 . 2 . . . . 29 Arg HB2 . 16630 1 356 . 1 1 29 29 ARG HB3 H 1 1.804 0.010 . 2 . . . . 29 Arg HB3 . 16630 1 357 . 1 1 29 29 ARG HD2 H 1 3.430 0.006 . 2 . . . . 29 Arg HD2 . 16630 1 358 . 1 1 29 29 ARG HD3 H 1 3.690 0.002 . 2 . . . . 29 Arg HD3 . 16630 1 359 . 1 1 29 29 ARG HE H 1 7.077 0.001 . 1 . . . . 29 Arg HE . 16630 1 360 . 1 1 29 29 ARG HG2 H 1 1.625 0.018 . 1 . . . . 29 Arg HG2 . 16630 1 361 . 1 1 29 29 ARG HG3 H 1 1.625 0.018 . 1 . . . . 29 Arg HG3 . 16630 1 362 . 1 1 29 29 ARG C C 13 174.107 0.000 . 1 . . . . 29 Arg C . 16630 1 363 . 1 1 29 29 ARG CA C 13 52.807 0.097 . 1 . . . . 29 Arg CA . 16630 1 364 . 1 1 29 29 ARG CB C 13 31.333 0.160 . 1 . . . . 29 Arg CB . 16630 1 365 . 1 1 29 29 ARG CD C 13 42.583 0.146 . 1 . . . . 29 Arg CD . 16630 1 366 . 1 1 29 29 ARG CG C 13 27.090 0.100 . 1 . . . . 29 Arg CG . 16630 1 367 . 1 1 29 29 ARG N N 15 119.145 0.018 . 1 . . . . 29 Arg N . 16630 1 368 . 1 1 29 29 ARG NE N 15 85.457 0.022 . 1 . . . . 29 Arg NE . 16630 1 369 . 1 1 30 30 LYS H H 1 9.253 0.006 . 1 . . . . 30 Lys H . 16630 1 370 . 1 1 30 30 LYS HA H 1 4.934 0.009 . 1 . . . . 30 Lys HA . 16630 1 371 . 1 1 30 30 LYS HB2 H 1 1.750 0.011 . 2 . . . . 30 Lys HB2 . 16630 1 372 . 1 1 30 30 LYS HB3 H 1 2.216 0.006 . 2 . . . . 30 Lys HB3 . 16630 1 373 . 1 1 30 30 LYS HD2 H 1 2.328 0.004 . 2 . . . . 30 Lys HD2 . 16630 1 374 . 1 1 30 30 LYS HD3 H 1 2.645 0.003 . 2 . . . . 30 Lys HD3 . 16630 1 375 . 1 1 30 30 LYS HE2 H 1 2.940 0.020 . 2 . . . . 30 Lys HE2 . 16630 1 376 . 1 1 30 30 LYS HE3 H 1 3.141 0.111 . 2 . . . . 30 Lys HE3 . 16630 1 377 . 1 1 30 30 LYS HG2 H 1 1.180 0.009 . 2 . . . . 30 Lys HG2 . 16630 1 378 . 1 1 30 30 LYS HG3 H 1 1.358 0.007 . 2 . . . . 30 Lys HG3 . 16630 1 379 . 1 1 30 30 LYS C C 13 172.212 0.000 . 1 . . . . 30 Lys C . 16630 1 380 . 1 1 30 30 LYS CA C 13 54.794 0.120 . 1 . . . . 30 Lys CA . 16630 1 381 . 1 1 30 30 LYS CB C 13 36.159 0.124 . 1 . . . . 30 Lys CB . 16630 1 382 . 1 1 30 30 LYS CD C 13 32.008 0.180 . 1 . . . . 30 Lys CD . 16630 1 383 . 1 1 30 30 LYS CE C 13 42.322 0.090 . 1 . . . . 30 Lys CE . 16630 1 384 . 1 1 30 30 LYS CG C 13 23.450 0.141 . 1 . . . . 30 Lys CG . 16630 1 385 . 1 1 30 30 LYS N N 15 118.455 0.025 . 1 . . . . 30 Lys N . 16630 1 386 . 1 1 31 31 ILE H H 1 8.636 0.004 . 1 . . . . 31 Ile H . 16630 1 387 . 1 1 31 31 ILE HA H 1 5.222 0.007 . 1 . . . . 31 Ile HA . 16630 1 388 . 1 1 31 31 ILE HB H 1 1.315 0.005 . 1 . . . . 31 Ile HB . 16630 1 389 . 1 1 31 31 ILE HD11 H 1 -0.106 0.007 . 1 . . . . 31 Ile HD11 . 16630 1 390 . 1 1 31 31 ILE HD12 H 1 -0.106 0.007 . 1 . . . . 31 Ile HD12 . 16630 1 391 . 1 1 31 31 ILE HD13 H 1 -0.106 0.007 . 1 . . . . 31 Ile HD13 . 16630 1 392 . 1 1 31 31 ILE HG12 H 1 0.305 0.004 . 2 . . . . 31 Ile HG12 . 16630 1 393 . 1 1 31 31 ILE HG13 H 1 0.952 0.004 . 2 . . . . 31 Ile HG13 . 16630 1 394 . 1 1 31 31 ILE HG21 H 1 0.302 0.004 . 1 . . . . 31 Ile HG21 . 16630 1 395 . 1 1 31 31 ILE HG22 H 1 0.302 0.004 . 1 . . . . 31 Ile HG22 . 16630 1 396 . 1 1 31 31 ILE HG23 H 1 0.302 0.004 . 1 . . . . 31 Ile HG23 . 16630 1 397 . 1 1 31 31 ILE C C 13 170.836 0.000 . 1 . . . . 31 Ile C . 16630 1 398 . 1 1 31 31 ILE CA C 13 58.304 0.151 . 1 . . . . 31 Ile CA . 16630 1 399 . 1 1 31 31 ILE CB C 13 41.352 0.125 . 1 . . . . 31 Ile CB . 16630 1 400 . 1 1 31 31 ILE CD1 C 13 13.681 0.065 . 1 . . . . 31 Ile CD1 . 16630 1 401 . 1 1 31 31 ILE CG1 C 13 28.323 0.081 . 1 . . . . 31 Ile CG1 . 16630 1 402 . 1 1 31 31 ILE CG2 C 13 15.738 0.083 . 1 . . . . 31 Ile CG2 . 16630 1 403 . 1 1 31 31 ILE N N 15 116.383 0.016 . 1 . . . . 31 Ile N . 16630 1 404 . 1 1 32 32 ALA H H 1 7.975 0.013 . 1 . . . . 32 Ala H . 16630 1 405 . 1 1 32 32 ALA HA H 1 4.697 0.013 . 1 . . . . 32 Ala HA . 16630 1 406 . 1 1 32 32 ALA HB1 H 1 1.276 0.008 . 1 . . . . 32 Ala HB1 . 16630 1 407 . 1 1 32 32 ALA HB2 H 1 1.276 0.008 . 1 . . . . 32 Ala HB2 . 16630 1 408 . 1 1 32 32 ALA HB3 H 1 1.276 0.008 . 1 . . . . 32 Ala HB3 . 16630 1 409 . 1 1 32 32 ALA C C 13 174.213 0.000 . 1 . . . . 32 Ala C . 16630 1 410 . 1 1 32 32 ALA CA C 13 50.101 0.164 . 1 . . . . 32 Ala CA . 16630 1 411 . 1 1 32 32 ALA CB C 13 25.464 0.075 . 1 . . . . 32 Ala CB . 16630 1 412 . 1 1 32 32 ALA N N 15 128.155 0.011 . 1 . . . . 32 Ala N . 16630 1 413 . 1 1 33 33 VAL H H 1 8.693 0.007 . 1 . . . . 33 Val H . 16630 1 414 . 1 1 33 33 VAL HA H 1 4.992 0.007 . 1 . . . . 33 Val HA . 16630 1 415 . 1 1 33 33 VAL HB H 1 1.866 0.004 . 1 . . . . 33 Val HB . 16630 1 416 . 1 1 33 33 VAL HG11 H 1 1.073 0.088 . 2 . . . . 33 Val HG11 . 16630 1 417 . 1 1 33 33 VAL HG12 H 1 1.073 0.088 . 2 . . . . 33 Val HG12 . 16630 1 418 . 1 1 33 33 VAL HG13 H 1 1.073 0.088 . 2 . . . . 33 Val HG13 . 16630 1 419 . 1 1 33 33 VAL HG21 H 1 0.796 0.087 . 2 . . . . 33 Val HG21 . 16630 1 420 . 1 1 33 33 VAL HG22 H 1 0.796 0.087 . 2 . . . . 33 Val HG22 . 16630 1 421 . 1 1 33 33 VAL HG23 H 1 0.796 0.087 . 2 . . . . 33 Val HG23 . 16630 1 422 . 1 1 33 33 VAL C C 13 174.216 0.000 . 1 . . . . 33 Val C . 16630 1 423 . 1 1 33 33 VAL CA C 13 60.440 0.145 . 1 . . . . 33 Val CA . 16630 1 424 . 1 1 33 33 VAL CB C 13 35.373 0.096 . 1 . . . . 33 Val CB . 16630 1 425 . 1 1 33 33 VAL CG1 C 13 21.774 0.141 . 2 . . . . 33 Val CG1 . 16630 1 426 . 1 1 33 33 VAL CG2 C 13 21.979 0.102 . 2 . . . . 33 Val CG2 . 16630 1 427 . 1 1 33 33 VAL N N 15 122.240 0.009 . 1 . . . . 33 Val N . 16630 1 428 . 1 1 34 34 GLY H H 1 9.074 0.007 . 1 . . . . 34 Gly H . 16630 1 429 . 1 1 34 34 GLY HA2 H 1 3.460 0.015 . 2 . . . . 34 Gly HA2 . 16630 1 430 . 1 1 34 34 GLY HA3 H 1 5.983 0.014 . 2 . . . . 34 Gly HA3 . 16630 1 431 . 1 1 34 34 GLY C C 13 172.672 0.000 . 1 . . . . 34 Gly C . 16630 1 432 . 1 1 34 34 GLY CA C 13 45.557 0.089 . 1 . . . . 34 Gly CA . 16630 1 433 . 1 1 34 34 GLY N N 15 113.379 0.014 . 1 . . . . 34 Gly N . 16630 1 434 . 1 1 35 35 ILE H H 1 8.520 0.004 . 1 . . . . 35 Ile H . 16630 1 435 . 1 1 35 35 ILE HA H 1 5.396 0.011 . 1 . . . . 35 Ile HA . 16630 1 436 . 1 1 35 35 ILE HB H 1 2.101 0.010 . 1 . . . . 35 Ile HB . 16630 1 437 . 1 1 35 35 ILE HD11 H 1 1.144 0.004 . 1 . . . . 35 Ile HD11 . 16630 1 438 . 1 1 35 35 ILE HD12 H 1 1.144 0.004 . 1 . . . . 35 Ile HD12 . 16630 1 439 . 1 1 35 35 ILE HD13 H 1 1.144 0.004 . 1 . . . . 35 Ile HD13 . 16630 1 440 . 1 1 35 35 ILE HG12 H 1 1.319 0.006 . 2 . . . . 35 Ile HG12 . 16630 1 441 . 1 1 35 35 ILE HG13 H 1 1.746 0.008 . 2 . . . . 35 Ile HG13 . 16630 1 442 . 1 1 35 35 ILE HG21 H 1 1.101 0.006 . 1 . . . . 35 Ile HG21 . 16630 1 443 . 1 1 35 35 ILE HG22 H 1 1.101 0.006 . 1 . . . . 35 Ile HG22 . 16630 1 444 . 1 1 35 35 ILE HG23 H 1 1.101 0.006 . 1 . . . . 35 Ile HG23 . 16630 1 445 . 1 1 35 35 ILE C C 13 173.974 0.000 . 1 . . . . 35 Ile C . 16630 1 446 . 1 1 35 35 ILE CA C 13 59.761 0.091 . 1 . . . . 35 Ile CA . 16630 1 447 . 1 1 35 35 ILE CB C 13 40.209 0.155 . 1 . . . . 35 Ile CB . 16630 1 448 . 1 1 35 35 ILE CD1 C 13 14.745 0.100 . 1 . . . . 35 Ile CD1 . 16630 1 449 . 1 1 35 35 ILE CG1 C 13 26.955 0.095 . 1 . . . . 35 Ile CG1 . 16630 1 450 . 1 1 35 35 ILE CG2 C 13 17.719 0.121 . 1 . . . . 35 Ile CG2 . 16630 1 451 . 1 1 35 35 ILE N N 15 121.773 0.017 . 1 . . . . 35 Ile N . 16630 1 452 . 1 1 36 36 ASP H H 1 9.431 0.004 . 1 . . . . 36 Asp H . 16630 1 453 . 1 1 36 36 ASP HA H 1 4.540 0.007 . 1 . . . . 36 Asp HA . 16630 1 454 . 1 1 36 36 ASP HB2 H 1 2.667 0.007 . 2 . . . . 36 Asp HB2 . 16630 1 455 . 1 1 36 36 ASP HB3 H 1 2.989 0.019 . 2 . . . . 36 Asp HB3 . 16630 1 456 . 1 1 36 36 ASP C C 13 174.413 0.000 . 1 . . . . 36 Asp C . 16630 1 457 . 1 1 36 36 ASP CA C 13 53.475 0.163 . 1 . . . . 36 Asp CA . 16630 1 458 . 1 1 36 36 ASP CB C 13 41.840 0.085 . 1 . . . . 36 Asp CB . 16630 1 459 . 1 1 36 36 ASP N N 15 126.331 0.009 . 1 . . . . 36 Asp N . 16630 1 460 . 1 1 37 37 ASN H H 1 8.776 0.005 . 1 . . . . 37 Asn H . 16630 1 461 . 1 1 37 37 ASN HA H 1 4.483 0.014 . 1 . . . . 37 Asn HA . 16630 1 462 . 1 1 37 37 ASN HB2 H 1 0.406 0.004 . 2 . . . . 37 Asn HB2 . 16630 1 463 . 1 1 37 37 ASN HB3 H 1 3.034 0.008 . 2 . . . . 37 Asn HB3 . 16630 1 464 . 1 1 37 37 ASN HD21 H 1 5.410 0.006 . 1 . . . . 37 Asn HD21 . 16630 1 465 . 1 1 37 37 ASN HD22 H 1 7.211 0.012 . 1 . . . . 37 Asn HD22 . 16630 1 466 . 1 1 37 37 ASN C C 13 173.199 0.000 . 1 . . . . 37 Asn C . 16630 1 467 . 1 1 37 37 ASN CA C 13 53.147 0.136 . 1 . . . . 37 Asn CA . 16630 1 468 . 1 1 37 37 ASN CB C 13 36.320 0.081 . 1 . . . . 37 Asn CB . 16630 1 469 . 1 1 37 37 ASN N N 15 125.897 0.005 . 1 . . . . 37 Asn N . 16630 1 470 . 1 1 37 37 ASN ND2 N 15 111.065 0.021 . 1 . . . . 37 Asn ND2 . 16630 1 471 . 1 1 38 38 GLU H H 1 8.469 0.003 . 1 . . . . 38 Glu H . 16630 1 472 . 1 1 38 38 GLU HA H 1 5.001 0.013 . 1 . . . . 38 Glu HA . 16630 1 473 . 1 1 38 38 GLU HB2 H 1 1.743 0.010 . 2 . . . . 38 Glu HB2 . 16630 1 474 . 1 1 38 38 GLU HB3 H 1 2.532 0.009 . 2 . . . . 38 Glu HB3 . 16630 1 475 . 1 1 38 38 GLU HG2 H 1 2.328 0.008 . 1 . . . . 38 Glu HG2 . 16630 1 476 . 1 1 38 38 GLU HG3 H 1 2.328 0.008 . 1 . . . . 38 Glu HG3 . 16630 1 477 . 1 1 38 38 GLU C C 13 179.273 0.000 . 1 . . . . 38 Glu C . 16630 1 478 . 1 1 38 38 GLU CA C 13 53.191 0.099 . 1 . . . . 38 Glu CA . 16630 1 479 . 1 1 38 38 GLU CB C 13 26.580 0.102 . 1 . . . . 38 Glu CB . 16630 1 480 . 1 1 38 38 GLU CG C 13 32.229 0.193 . 1 . . . . 38 Glu CG . 16630 1 481 . 1 1 38 38 GLU N N 15 125.608 0.038 . 1 . . . . 38 Glu N . 16630 1 482 . 1 1 39 39 SER H H 1 8.928 0.009 . 1 . . . . 39 Ser H . 16630 1 483 . 1 1 39 39 SER HA H 1 4.083 0.008 . 1 . . . . 39 Ser HA . 16630 1 484 . 1 1 39 39 SER HB2 H 1 4.096 0.010 . 2 . . . . 39 Ser HB2 . 16630 1 485 . 1 1 39 39 SER HB3 H 1 4.422 0.013 . 2 . . . . 39 Ser HB3 . 16630 1 486 . 1 1 39 39 SER C C 13 174.412 0.000 . 1 . . . . 39 Ser C . 16630 1 487 . 1 1 39 39 SER CA C 13 60.502 0.138 . 1 . . . . 39 Ser CA . 16630 1 488 . 1 1 39 39 SER CB C 13 66.183 0.086 . 1 . . . . 39 Ser CB . 16630 1 489 . 1 1 39 39 SER N N 15 114.842 0.010 . 1 . . . . 39 Ser N . 16630 1 490 . 1 1 40 40 GLY H H 1 8.479 0.012 . 1 . . . . 40 Gly H . 16630 1 491 . 1 1 40 40 GLY HA2 H 1 3.505 0.013 . 2 . . . . 40 Gly HA2 . 16630 1 492 . 1 1 40 40 GLY HA3 H 1 4.509 0.017 . 2 . . . . 40 Gly HA3 . 16630 1 493 . 1 1 40 40 GLY C C 13 173.525 0.000 . 1 . . . . 40 Gly C . 16630 1 494 . 1 1 40 40 GLY CA C 13 45.243 0.066 . 1 . . . . 40 Gly CA . 16630 1 495 . 1 1 40 40 GLY N N 15 111.530 0.025 . 1 . . . . 40 Gly N . 16630 1 496 . 1 1 41 41 GLY H H 1 7.467 0.005 . 1 . . . . 41 Gly H . 16630 1 497 . 1 1 41 41 GLY HA2 H 1 4.061 0.017 . 2 . . . . 41 Gly HA2 . 16630 1 498 . 1 1 41 41 GLY HA3 H 1 4.567 0.008 . 2 . . . . 41 Gly HA3 . 16630 1 499 . 1 1 41 41 GLY C C 13 171.744 0.000 . 1 . . . . 41 Gly C . 16630 1 500 . 1 1 41 41 GLY CA C 13 44.512 0.171 . 1 . . . . 41 Gly CA . 16630 1 501 . 1 1 41 41 GLY N N 15 106.087 0.015 . 1 . . . . 41 Gly N . 16630 1 502 . 1 1 42 42 THR H H 1 8.769 0.003 . 1 . . . . 42 Thr H . 16630 1 503 . 1 1 42 42 THR HA H 1 4.295 0.009 . 1 . . . . 42 Thr HA . 16630 1 504 . 1 1 42 42 THR HB H 1 4.058 0.008 . 1 . . . . 42 Thr HB . 16630 1 505 . 1 1 42 42 THR HG21 H 1 1.241 0.018 . 1 . . . . 42 Thr HG21 . 16630 1 506 . 1 1 42 42 THR HG22 H 1 1.241 0.018 . 1 . . . . 42 Thr HG22 . 16630 1 507 . 1 1 42 42 THR HG23 H 1 1.241 0.018 . 1 . . . . 42 Thr HG23 . 16630 1 508 . 1 1 42 42 THR C C 13 174.717 0.000 . 1 . . . . 42 Thr C . 16630 1 509 . 1 1 42 42 THR CA C 13 62.885 0.121 . 1 . . . . 42 Thr CA . 16630 1 510 . 1 1 42 42 THR CB C 13 70.168 0.164 . 1 . . . . 42 Thr CB . 16630 1 511 . 1 1 42 42 THR CG2 C 13 22.144 0.111 . 1 . . . . 42 Thr CG2 . 16630 1 512 . 1 1 42 42 THR N N 15 116.928 0.007 . 1 . . . . 42 Thr N . 16630 1 513 . 1 1 43 43 TRP H H 1 8.104 0.002 . 1 . . . . 43 Trp H . 16630 1 514 . 1 1 43 43 TRP HA H 1 5.959 0.010 . 1 . . . . 43 Trp HA . 16630 1 515 . 1 1 43 43 TRP HB2 H 1 3.266 0.020 . 2 . . . . 43 Trp HB2 . 16630 1 516 . 1 1 43 43 TRP HB3 H 1 3.313 0.017 . 2 . . . . 43 Trp HB3 . 16630 1 517 . 1 1 43 43 TRP HD1 H 1 6.989 0.019 . 1 . . . . 43 Trp HD1 . 16630 1 518 . 1 1 43 43 TRP HE1 H 1 8.821 0.025 . 1 . . . . 43 Trp HE1 . 16630 1 519 . 1 1 43 43 TRP HE3 H 1 6.422 0.001 . 1 . . . . 43 Trp HE3 . 16630 1 520 . 1 1 43 43 TRP HH2 H 1 6.822 0.026 . 1 . . . . 43 Trp HH2 . 16630 1 521 . 1 1 43 43 TRP HZ2 H 1 6.972 0.025 . 1 . . . . 43 Trp HZ2 . 16630 1 522 . 1 1 43 43 TRP HZ3 H 1 6.481 0.008 . 1 . . . . 43 Trp HZ3 . 16630 1 523 . 1 1 43 43 TRP C C 13 175.805 0.000 . 1 . . . . 43 Trp C . 16630 1 524 . 1 1 43 43 TRP CA C 13 52.770 0.063 . 1 . . . . 43 Trp CA . 16630 1 525 . 1 1 43 43 TRP CB C 13 33.020 0.056 . 1 . . . . 43 Trp CB . 16630 1 526 . 1 1 43 43 TRP CD1 C 13 120.657 0.066 . 1 . . . . 43 Trp CD1 . 16630 1 527 . 1 1 43 43 TRP CE3 C 13 116.685 0.021 . 1 . . . . 43 Trp CE3 . 16630 1 528 . 1 1 43 43 TRP CH2 C 13 121.122 0.078 . 1 . . . . 43 Trp CH2 . 16630 1 529 . 1 1 43 43 TRP CZ2 C 13 110.876 0.123 . 1 . . . . 43 Trp CZ2 . 16630 1 530 . 1 1 43 43 TRP CZ3 C 13 118.149 0.035 . 1 . . . . 43 Trp CZ3 . 16630 1 531 . 1 1 43 43 TRP N N 15 126.426 0.024 . 1 . . . . 43 Trp N . 16630 1 532 . 1 1 43 43 TRP NE1 N 15 125.619 0.037 . 1 . . . . 43 Trp NE1 . 16630 1 533 . 1 1 44 44 THR H H 1 9.638 0.003 . 1 . . . . 44 Thr H . 16630 1 534 . 1 1 44 44 THR HA H 1 5.681 0.007 . 1 . . . . 44 Thr HA . 16630 1 535 . 1 1 44 44 THR HB H 1 4.255 0.009 . 1 . . . . 44 Thr HB . 16630 1 536 . 1 1 44 44 THR HG21 H 1 1.452 0.006 . 1 . . . . 44 Thr HG21 . 16630 1 537 . 1 1 44 44 THR HG22 H 1 1.452 0.006 . 1 . . . . 44 Thr HG22 . 16630 1 538 . 1 1 44 44 THR HG23 H 1 1.452 0.006 . 1 . . . . 44 Thr HG23 . 16630 1 539 . 1 1 44 44 THR C C 13 174.194 0.000 . 1 . . . . 44 Thr C . 16630 1 540 . 1 1 44 44 THR CA C 13 61.036 0.152 . 1 . . . . 44 Thr CA . 16630 1 541 . 1 1 44 44 THR CB C 13 71.582 0.116 . 1 . . . . 44 Thr CB . 16630 1 542 . 1 1 44 44 THR CG2 C 13 21.476 0.094 . 1 . . . . 44 Thr CG2 . 16630 1 543 . 1 1 44 44 THR N N 15 118.232 0.009 . 1 . . . . 44 Thr N . 16630 1 544 . 1 1 45 45 ALA H H 1 9.400 0.003 . 1 . . . . 45 Ala H . 16630 1 545 . 1 1 45 45 ALA HA H 1 3.010 0.007 . 1 . . . . 45 Ala HA . 16630 1 546 . 1 1 45 45 ALA HB1 H 1 1.139 0.009 . 1 . . . . 45 Ala HB1 . 16630 1 547 . 1 1 45 45 ALA HB2 H 1 1.139 0.009 . 1 . . . . 45 Ala HB2 . 16630 1 548 . 1 1 45 45 ALA HB3 H 1 1.139 0.009 . 1 . . . . 45 Ala HB3 . 16630 1 549 . 1 1 45 45 ALA C C 13 177.668 0.000 . 1 . . . . 45 Ala C . 16630 1 550 . 1 1 45 45 ALA CA C 13 54.659 0.088 . 1 . . . . 45 Ala CA . 16630 1 551 . 1 1 45 45 ALA CB C 13 19.758 0.152 . 1 . . . . 45 Ala CB . 16630 1 552 . 1 1 45 45 ALA N N 15 131.399 0.009 . 1 . . . . 45 Ala N . 16630 1 553 . 1 1 46 46 LEU H H 1 7.833 0.004 . 1 . . . . 46 Leu H . 16630 1 554 . 1 1 46 46 LEU HA H 1 4.633 0.010 . 1 . . . . 46 Leu HA . 16630 1 555 . 1 1 46 46 LEU HB2 H 1 1.320 0.009 . 2 . . . . 46 Leu HB2 . 16630 1 556 . 1 1 46 46 LEU HB3 H 1 1.735 0.008 . 2 . . . . 46 Leu HB3 . 16630 1 557 . 1 1 46 46 LEU HD11 H 1 0.666 0.004 . 2 . . . . 46 Leu HD11 . 16630 1 558 . 1 1 46 46 LEU HD12 H 1 0.666 0.004 . 2 . . . . 46 Leu HD12 . 16630 1 559 . 1 1 46 46 LEU HD13 H 1 0.666 0.004 . 2 . . . . 46 Leu HD13 . 16630 1 560 . 1 1 46 46 LEU HD21 H 1 0.700 0.011 . 2 . . . . 46 Leu HD21 . 16630 1 561 . 1 1 46 46 LEU HD22 H 1 0.700 0.011 . 2 . . . . 46 Leu HD22 . 16630 1 562 . 1 1 46 46 LEU HD23 H 1 0.700 0.011 . 2 . . . . 46 Leu HD23 . 16630 1 563 . 1 1 46 46 LEU HG H 1 1.543 0.017 . 1 . . . . 46 Leu HG . 16630 1 564 . 1 1 46 46 LEU C C 13 174.621 0.000 . 1 . . . . 46 Leu C . 16630 1 565 . 1 1 46 46 LEU CA C 13 55.400 0.112 . 1 . . . . 46 Leu CA . 16630 1 566 . 1 1 46 46 LEU CB C 13 40.674 0.067 . 1 . . . . 46 Leu CB . 16630 1 567 . 1 1 46 46 LEU CD1 C 13 23.508 0.095 . 2 . . . . 46 Leu CD1 . 16630 1 568 . 1 1 46 46 LEU CD2 C 13 27.225 0.080 . 2 . . . . 46 Leu CD2 . 16630 1 569 . 1 1 46 46 LEU CG C 13 27.109 0.000 . 1 . . . . 46 Leu CG . 16630 1 570 . 1 1 46 46 LEU N N 15 120.818 0.014 . 1 . . . . 46 Leu N . 16630 1 571 . 1 1 47 47 ASN H H 1 7.499 0.003 . 1 . . . . 47 Asn H . 16630 1 572 . 1 1 47 47 ASN HA H 1 4.683 0.014 . 1 . . . . 47 Asn HA . 16630 1 573 . 1 1 47 47 ASN HB2 H 1 3.040 0.009 . 2 . . . . 47 Asn HB2 . 16630 1 574 . 1 1 47 47 ASN HB3 H 1 2.850 0.015 . 2 . . . . 47 Asn HB3 . 16630 1 575 . 1 1 47 47 ASN HD21 H 1 7.299 0.013 . 1 . . . . 47 Asn HD21 . 16630 1 576 . 1 1 47 47 ASN HD22 H 1 8.088 0.003 . 1 . . . . 47 Asn HD22 . 16630 1 577 . 1 1 47 47 ASN C C 13 170.641 0.000 . 1 . . . . 47 Asn C . 16630 1 578 . 1 1 47 47 ASN CA C 13 53.126 0.080 . 1 . . . . 47 Asn CA . 16630 1 579 . 1 1 47 47 ASN CB C 13 39.636 0.088 . 1 . . . . 47 Asn CB . 16630 1 580 . 1 1 47 47 ASN N N 15 114.450 0.014 . 1 . . . . 47 Asn N . 16630 1 581 . 1 1 47 47 ASN ND2 N 15 115.380 0.025 . 1 . . . . 47 Asn ND2 . 16630 1 582 . 1 1 48 48 ALA H H 1 8.734 0.002 . 1 . . . . 48 Ala H . 16630 1 583 . 1 1 48 48 ALA HA H 1 5.021 0.011 . 1 . . . . 48 Ala HA . 16630 1 584 . 1 1 48 48 ALA HB1 H 1 1.574 0.008 . 1 . . . . 48 Ala HB1 . 16630 1 585 . 1 1 48 48 ALA HB2 H 1 1.574 0.008 . 1 . . . . 48 Ala HB2 . 16630 1 586 . 1 1 48 48 ALA HB3 H 1 1.574 0.008 . 1 . . . . 48 Ala HB3 . 16630 1 587 . 1 1 48 48 ALA C C 13 175.690 0.000 . 1 . . . . 48 Ala C . 16630 1 588 . 1 1 48 48 ALA CA C 13 51.031 0.070 . 1 . . . . 48 Ala CA . 16630 1 589 . 1 1 48 48 ALA CB C 13 23.536 0.115 . 1 . . . . 48 Ala CB . 16630 1 590 . 1 1 48 48 ALA N N 15 120.527 0.024 . 1 . . . . 48 Ala N . 16630 1 591 . 1 1 49 49 TYR H H 1 9.551 0.013 . 1 . . . . 49 Tyr H . 16630 1 592 . 1 1 49 49 TYR HA H 1 4.876 0.009 . 1 . . . . 49 Tyr HA . 16630 1 593 . 1 1 49 49 TYR HB2 H 1 2.659 0.018 . 1 . . . . 49 Tyr HB2 . 16630 1 594 . 1 1 49 49 TYR HB3 H 1 2.659 0.018 . 1 . . . . 49 Tyr HB3 . 16630 1 595 . 1 1 49 49 TYR HD1 H 1 6.795 0.011 . 3 . . . . 49 Tyr HD1 . 16630 1 596 . 1 1 49 49 TYR HD2 H 1 6.795 0.011 . 3 . . . . 49 Tyr HD2 . 16630 1 597 . 1 1 49 49 TYR HE1 H 1 6.475 0.000 . 3 . . . . 49 Tyr HE1 . 16630 1 598 . 1 1 49 49 TYR HE2 H 1 6.475 0.000 . 3 . . . . 49 Tyr HE2 . 16630 1 599 . 1 1 49 49 TYR C C 13 172.520 0.000 . 1 . . . . 49 Tyr C . 16630 1 600 . 1 1 49 49 TYR CA C 13 56.471 0.070 . 1 . . . . 49 Tyr CA . 16630 1 601 . 1 1 49 49 TYR CB C 13 40.438 0.014 . 1 . . . . 49 Tyr CB . 16630 1 602 . 1 1 49 49 TYR CD1 C 13 130.723 0.000 . 3 . . . . 49 Tyr CD1 . 16630 1 603 . 1 1 49 49 TYR CD2 C 13 130.723 0.000 . 3 . . . . 49 Tyr CD2 . 16630 1 604 . 1 1 49 49 TYR N N 15 125.016 0.013 . 1 . . . . 49 Tyr N . 16630 1 605 . 1 1 50 50 PHE H H 1 8.622 0.002 . 1 . . . . 50 Phe H . 16630 1 606 . 1 1 50 50 PHE HA H 1 4.353 0.009 . 1 . . . . 50 Phe HA . 16630 1 607 . 1 1 50 50 PHE HB2 H 1 2.426 0.006 . 2 . . . . 50 Phe HB2 . 16630 1 608 . 1 1 50 50 PHE HB3 H 1 2.793 0.014 . 2 . . . . 50 Phe HB3 . 16630 1 609 . 1 1 50 50 PHE HD1 H 1 7.069 0.011 . 3 . . . . 50 Phe HD1 . 16630 1 610 . 1 1 50 50 PHE HD2 H 1 7.069 0.011 . 3 . . . . 50 Phe HD2 . 16630 1 611 . 1 1 50 50 PHE HE1 H 1 7.364 0.003 . 3 . . . . 50 Phe HE1 . 16630 1 612 . 1 1 50 50 PHE HE2 H 1 7.364 0.003 . 3 . . . . 50 Phe HE2 . 16630 1 613 . 1 1 50 50 PHE HZ H 1 7.240 0.003 . 1 . . . . 50 Phe HZ . 16630 1 614 . 1 1 50 50 PHE C C 13 175.313 0.000 . 1 . . . . 50 Phe C . 16630 1 615 . 1 1 50 50 PHE CA C 13 57.044 0.090 . 1 . . . . 50 Phe CA . 16630 1 616 . 1 1 50 50 PHE CB C 13 39.212 0.054 . 1 . . . . 50 Phe CB . 16630 1 617 . 1 1 50 50 PHE N N 15 126.744 0.032 . 1 . . . . 50 Phe N . 16630 1 618 . 1 1 51 51 ARG H H 1 7.951 0.006 . 1 . . . . 51 Arg H . 16630 1 619 . 1 1 51 51 ARG HA H 1 3.790 0.007 . 1 . . . . 51 Arg HA . 16630 1 620 . 1 1 51 51 ARG HB2 H 1 0.866 0.014 . 2 . . . . 51 Arg HB2 . 16630 1 621 . 1 1 51 51 ARG HB3 H 1 1.035 0.012 . 2 . . . . 51 Arg HB3 . 16630 1 622 . 1 1 51 51 ARG HD2 H 1 2.585 0.015 . 2 . . . . 51 Arg HD2 . 16630 1 623 . 1 1 51 51 ARG HD3 H 1 2.778 0.014 . 2 . . . . 51 Arg HD3 . 16630 1 624 . 1 1 51 51 ARG HE H 1 7.213 0.003 . 1 . . . . 51 Arg HE . 16630 1 625 . 1 1 51 51 ARG HG2 H 1 1.163 0.007 . 2 . . . . 51 Arg HG2 . 16630 1 626 . 1 1 51 51 ARG HG3 H 1 1.208 0.007 . 2 . . . . 51 Arg HG3 . 16630 1 627 . 1 1 51 51 ARG C C 13 176.635 0.000 . 1 . . . . 51 Arg C . 16630 1 628 . 1 1 51 51 ARG CA C 13 56.168 0.057 . 1 . . . . 51 Arg CA . 16630 1 629 . 1 1 51 51 ARG CB C 13 30.937 0.143 . 1 . . . . 51 Arg CB . 16630 1 630 . 1 1 51 51 ARG CD C 13 42.869 0.086 . 1 . . . . 51 Arg CD . 16630 1 631 . 1 1 51 51 ARG CG C 13 26.400 0.073 . 1 . . . . 51 Arg CG . 16630 1 632 . 1 1 51 51 ARG N N 15 126.978 0.033 . 1 . . . . 51 Arg N . 16630 1 633 . 1 1 51 51 ARG NE N 15 84.683 0.000 . 1 . . . . 51 Arg NE . 16630 1 634 . 1 1 52 52 SER H H 1 8.038 0.005 . 1 . . . . 52 Ser H . 16630 1 635 . 1 1 52 52 SER HA H 1 4.663 0.005 . 1 . . . . 52 Ser HA . 16630 1 636 . 1 1 52 52 SER HB2 H 1 3.466 0.009 . 2 . . . . 52 Ser HB2 . 16630 1 637 . 1 1 52 52 SER HB3 H 1 3.633 0.007 . 2 . . . . 52 Ser HB3 . 16630 1 638 . 1 1 52 52 SER C C 13 173.575 0.000 . 1 . . . . 52 Ser C . 16630 1 639 . 1 1 52 52 SER CA C 13 58.203 0.105 . 1 . . . . 52 Ser CA . 16630 1 640 . 1 1 52 52 SER CB C 13 65.981 0.113 . 1 . . . . 52 Ser CB . 16630 1 641 . 1 1 52 52 SER N N 15 112.500 0.012 . 1 . . . . 52 Ser N . 16630 1 642 . 1 1 53 53 GLY H H 1 8.667 0.002 . 1 . . . . 53 Gly H . 16630 1 643 . 1 1 53 53 GLY HA2 H 1 3.693 0.012 . 2 . . . . 53 Gly HA2 . 16630 1 644 . 1 1 53 53 GLY HA3 H 1 4.886 0.010 . 2 . . . . 53 Gly HA3 . 16630 1 645 . 1 1 53 53 GLY C C 13 172.801 0.000 . 1 . . . . 53 Gly C . 16630 1 646 . 1 1 53 53 GLY CA C 13 45.061 0.053 . 1 . . . . 53 Gly CA . 16630 1 647 . 1 1 53 53 GLY N N 15 113.848 0.012 . 1 . . . . 53 Gly N . 16630 1 648 . 1 1 54 54 THR H H 1 8.984 0.002 . 1 . . . . 54 Thr H . 16630 1 649 . 1 1 54 54 THR HA H 1 3.409 0.016 . 1 . . . . 54 Thr HA . 16630 1 650 . 1 1 54 54 THR HB H 1 3.911 0.013 . 1 . . . . 54 Thr HB . 16630 1 651 . 1 1 54 54 THR HG21 H 1 0.755 0.008 . 1 . . . . 54 Thr HG21 . 16630 1 652 . 1 1 54 54 THR HG22 H 1 0.755 0.008 . 1 . . . . 54 Thr HG22 . 16630 1 653 . 1 1 54 54 THR HG23 H 1 0.755 0.008 . 1 . . . . 54 Thr HG23 . 16630 1 654 . 1 1 54 54 THR C C 13 170.107 0.000 . 1 . . . . 54 Thr C . 16630 1 655 . 1 1 54 54 THR CA C 13 59.116 0.092 . 1 . . . . 54 Thr CA . 16630 1 656 . 1 1 54 54 THR CB C 13 68.473 0.135 . 1 . . . . 54 Thr CB . 16630 1 657 . 1 1 54 54 THR CG2 C 13 18.763 0.000 . 1 . . . . 54 Thr CG2 . 16630 1 658 . 1 1 54 54 THR N N 15 111.999 0.018 . 1 . . . . 54 Thr N . 16630 1 659 . 1 1 55 55 THR H H 1 7.737 0.002 . 1 . . . . 55 Thr H . 16630 1 660 . 1 1 55 55 THR HA H 1 4.505 0.014 . 1 . . . . 55 Thr HA . 16630 1 661 . 1 1 55 55 THR HB H 1 4.120 0.009 . 1 . . . . 55 Thr HB . 16630 1 662 . 1 1 55 55 THR HG21 H 1 1.098 0.016 . 1 . . . . 55 Thr HG21 . 16630 1 663 . 1 1 55 55 THR HG22 H 1 1.098 0.016 . 1 . . . . 55 Thr HG22 . 16630 1 664 . 1 1 55 55 THR HG23 H 1 1.098 0.016 . 1 . . . . 55 Thr HG23 . 16630 1 665 . 1 1 55 55 THR C C 13 172.054 0.000 . 1 . . . . 55 Thr C . 16630 1 666 . 1 1 55 55 THR CA C 13 58.929 0.101 . 1 . . . . 55 Thr CA . 16630 1 667 . 1 1 55 55 THR CB C 13 68.782 0.141 . 1 . . . . 55 Thr CB . 16630 1 668 . 1 1 55 55 THR CG2 C 13 19.485 0.138 . 1 . . . . 55 Thr CG2 . 16630 1 669 . 1 1 55 55 THR N N 15 112.830 0.022 . 1 . . . . 55 Thr N . 16630 1 670 . 1 1 56 56 ASP H H 1 8.935 0.003 . 1 . . . . 56 Asp H . 16630 1 671 . 1 1 56 56 ASP HA H 1 4.886 0.012 . 1 . . . . 56 Asp HA . 16630 1 672 . 1 1 56 56 ASP HB2 H 1 2.334 0.029 . 2 . . . . 56 Asp HB2 . 16630 1 673 . 1 1 56 56 ASP HB3 H 1 2.904 0.013 . 2 . . . . 56 Asp HB3 . 16630 1 674 . 1 1 56 56 ASP C C 13 176.005 0.000 . 1 . . . . 56 Asp C . 16630 1 675 . 1 1 56 56 ASP CA C 13 53.952 0.162 . 1 . . . . 56 Asp CA . 16630 1 676 . 1 1 56 56 ASP CB C 13 43.109 0.102 . 1 . . . . 56 Asp CB . 16630 1 677 . 1 1 56 56 ASP N N 15 124.097 0.011 . 1 . . . . 56 Asp N . 16630 1 678 . 1 1 57 57 VAL H H 1 7.959 0.003 . 1 . . . . 57 Val H . 16630 1 679 . 1 1 57 57 VAL HA H 1 4.792 0.013 . 1 . . . . 57 Val HA . 16630 1 680 . 1 1 57 57 VAL HB H 1 2.243 0.007 . 1 . . . . 57 Val HB . 16630 1 681 . 1 1 57 57 VAL HG11 H 1 0.770 0.005 . 2 . . . . 57 Val HG11 . 16630 1 682 . 1 1 57 57 VAL HG12 H 1 0.770 0.005 . 2 . . . . 57 Val HG12 . 16630 1 683 . 1 1 57 57 VAL HG13 H 1 0.770 0.005 . 2 . . . . 57 Val HG13 . 16630 1 684 . 1 1 57 57 VAL HG21 H 1 0.762 0.008 . 2 . . . . 57 Val HG21 . 16630 1 685 . 1 1 57 57 VAL HG22 H 1 0.762 0.008 . 2 . . . . 57 Val HG22 . 16630 1 686 . 1 1 57 57 VAL HG23 H 1 0.762 0.008 . 2 . . . . 57 Val HG23 . 16630 1 687 . 1 1 57 57 VAL C C 13 174.810 0.000 . 1 . . . . 57 Val C . 16630 1 688 . 1 1 57 57 VAL CA C 13 59.563 0.121 . 1 . . . . 57 Val CA . 16630 1 689 . 1 1 57 57 VAL CB C 13 35.087 0.199 . 1 . . . . 57 Val CB . 16630 1 690 . 1 1 57 57 VAL CG1 C 13 18.840 0.169 . 2 . . . . 57 Val CG1 . 16630 1 691 . 1 1 57 57 VAL CG2 C 13 21.514 0.101 . 2 . . . . 57 Val CG2 . 16630 1 692 . 1 1 57 57 VAL N N 15 113.936 0.013 . 1 . . . . 57 Val N . 16630 1 693 . 1 1 58 58 ILE H H 1 8.175 0.002 . 1 . . . . 58 Ile H . 16630 1 694 . 1 1 58 58 ILE HA H 1 4.375 0.005 . 1 . . . . 58 Ile HA . 16630 1 695 . 1 1 58 58 ILE HB H 1 1.878 0.006 . 1 . . . . 58 Ile HB . 16630 1 696 . 1 1 58 58 ILE HD11 H 1 0.932 0.004 . 1 . . . . 58 Ile HD11 . 16630 1 697 . 1 1 58 58 ILE HD12 H 1 0.932 0.004 . 1 . . . . 58 Ile HD12 . 16630 1 698 . 1 1 58 58 ILE HD13 H 1 0.932 0.004 . 1 . . . . 58 Ile HD13 . 16630 1 699 . 1 1 58 58 ILE HG12 H 1 1.249 0.007 . 2 . . . . 58 Ile HG12 . 16630 1 700 . 1 1 58 58 ILE HG13 H 1 1.492 0.008 . 2 . . . . 58 Ile HG13 . 16630 1 701 . 1 1 58 58 ILE HG21 H 1 1.032 0.006 . 1 . . . . 58 Ile HG21 . 16630 1 702 . 1 1 58 58 ILE HG22 H 1 1.032 0.006 . 1 . . . . 58 Ile HG22 . 16630 1 703 . 1 1 58 58 ILE HG23 H 1 1.032 0.006 . 1 . . . . 58 Ile HG23 . 16630 1 704 . 1 1 58 58 ILE C C 13 176.273 0.000 . 1 . . . . 58 Ile C . 16630 1 705 . 1 1 58 58 ILE CA C 13 59.843 0.101 . 1 . . . . 58 Ile CA . 16630 1 706 . 1 1 58 58 ILE CB C 13 39.685 0.073 . 1 . . . . 58 Ile CB . 16630 1 707 . 1 1 58 58 ILE CD1 C 13 13.095 0.091 . 1 . . . . 58 Ile CD1 . 16630 1 708 . 1 1 58 58 ILE CG1 C 13 27.156 0.113 . 1 . . . . 58 Ile CG1 . 16630 1 709 . 1 1 58 58 ILE CG2 C 13 17.795 0.137 . 1 . . . . 58 Ile CG2 . 16630 1 710 . 1 1 58 58 ILE N N 15 120.139 0.017 . 1 . . . . 58 Ile N . 16630 1 711 . 1 1 59 59 LEU H H 1 7.932 0.002 . 1 . . . . 59 Leu H . 16630 1 712 . 1 1 59 59 LEU HA H 1 4.050 0.008 . 1 . . . . 59 Leu HA . 16630 1 713 . 1 1 59 59 LEU HB2 H 1 1.220 0.007 . 2 . . . . 59 Leu HB2 . 16630 1 714 . 1 1 59 59 LEU HB3 H 1 1.385 0.009 . 2 . . . . 59 Leu HB3 . 16630 1 715 . 1 1 59 59 LEU HD11 H 1 -0.125 0.006 . 2 . . . . 59 Leu HD11 . 16630 1 716 . 1 1 59 59 LEU HD12 H 1 -0.125 0.006 . 2 . . . . 59 Leu HD12 . 16630 1 717 . 1 1 59 59 LEU HD13 H 1 -0.125 0.006 . 2 . . . . 59 Leu HD13 . 16630 1 718 . 1 1 59 59 LEU HD21 H 1 0.265 0.009 . 2 . . . . 59 Leu HD21 . 16630 1 719 . 1 1 59 59 LEU HD22 H 1 0.265 0.009 . 2 . . . . 59 Leu HD22 . 16630 1 720 . 1 1 59 59 LEU HD23 H 1 0.265 0.009 . 2 . . . . 59 Leu HD23 . 16630 1 721 . 1 1 59 59 LEU HG H 1 1.307 0.005 . 1 . . . . 59 Leu HG . 16630 1 722 . 1 1 59 59 LEU CA C 13 53.037 0.125 . 1 . . . . 59 Leu CA . 16630 1 723 . 1 1 59 59 LEU CB C 13 42.266 0.083 . 1 . . . . 59 Leu CB . 16630 1 724 . 1 1 59 59 LEU CD1 C 13 23.323 0.085 . 2 . . . . 59 Leu CD1 . 16630 1 725 . 1 1 59 59 LEU CD2 C 13 24.897 0.092 . 2 . . . . 59 Leu CD2 . 16630 1 726 . 1 1 59 59 LEU CG C 13 26.117 0.125 . 1 . . . . 59 Leu CG . 16630 1 727 . 1 1 59 59 LEU N N 15 126.800 0.010 . 1 . . . . 59 Leu N . 16630 1 728 . 1 1 60 60 PRO HA H 1 4.274 0.004 . 1 . . . . 60 Pro HA . 16630 1 729 . 1 1 60 60 PRO HB2 H 1 2.265 0.009 . 2 . . . . 60 Pro HB2 . 16630 1 730 . 1 1 60 60 PRO HB3 H 1 1.771 0.021 . 2 . . . . 60 Pro HB3 . 16630 1 731 . 1 1 60 60 PRO HD2 H 1 3.699 0.009 . 2 . . . . 60 Pro HD2 . 16630 1 732 . 1 1 60 60 PRO HD3 H 1 4.132 0.009 . 2 . . . . 60 Pro HD3 . 16630 1 733 . 1 1 60 60 PRO HG2 H 1 2.162 0.000 . 2 . . . . 60 Pro HG2 . 16630 1 734 . 1 1 60 60 PRO HG3 H 1 1.897 0.004 . 2 . . . . 60 Pro HG3 . 16630 1 735 . 1 1 60 60 PRO C C 13 179.103 0.000 . 1 . . . . 60 Pro C . 16630 1 736 . 1 1 60 60 PRO CA C 13 63.614 0.155 . 1 . . . . 60 Pro CA . 16630 1 737 . 1 1 60 60 PRO CB C 13 31.706 0.160 . 1 . . . . 60 Pro CB . 16630 1 738 . 1 1 60 60 PRO CD C 13 49.928 0.167 . 1 . . . . 60 Pro CD . 16630 1 739 . 1 1 60 60 PRO CG C 13 28.590 0.098 . 1 . . . . 60 Pro CG . 16630 1 740 . 1 1 61 61 GLU H H 1 8.724 0.002 . 1 . . . . 61 Glu H . 16630 1 741 . 1 1 61 61 GLU HA H 1 3.871 0.007 . 1 . . . . 61 Glu HA . 16630 1 742 . 1 1 61 61 GLU HB2 H 1 1.852 0.014 . 2 . . . . 61 Glu HB2 . 16630 1 743 . 1 1 61 61 GLU HB3 H 1 2.102 0.013 . 2 . . . . 61 Glu HB3 . 16630 1 744 . 1 1 61 61 GLU HG2 H 1 1.913 0.010 . 2 . . . . 61 Glu HG2 . 16630 1 745 . 1 1 61 61 GLU HG3 H 1 2.108 0.019 . 2 . . . . 61 Glu HG3 . 16630 1 746 . 1 1 61 61 GLU C C 13 175.573 0.000 . 1 . . . . 61 Glu C . 16630 1 747 . 1 1 61 61 GLU CA C 13 60.045 0.171 . 1 . . . . 61 Glu CA . 16630 1 748 . 1 1 61 61 GLU CB C 13 29.129 0.149 . 1 . . . . 61 Glu CB . 16630 1 749 . 1 1 61 61 GLU CG C 13 32.835 0.113 . 1 . . . . 61 Glu CG . 16630 1 750 . 1 1 61 61 GLU N N 15 125.503 0.016 . 1 . . . . 61 Glu N . 16630 1 751 . 1 1 62 62 PHE H H 1 7.778 0.004 . 1 . . . . 62 Phe H . 16630 1 752 . 1 1 62 62 PHE HA H 1 5.895 0.011 . 1 . . . . 62 Phe HA . 16630 1 753 . 1 1 62 62 PHE HB2 H 1 2.971 0.026 . 2 . . . . 62 Phe HB2 . 16630 1 754 . 1 1 62 62 PHE HB3 H 1 3.026 0.020 . 2 . . . . 62 Phe HB3 . 16630 1 755 . 1 1 62 62 PHE HD1 H 1 6.902 0.006 . 3 . . . . 62 Phe HD1 . 16630 1 756 . 1 1 62 62 PHE HD2 H 1 6.902 0.006 . 3 . . . . 62 Phe HD2 . 16630 1 757 . 1 1 62 62 PHE HE1 H 1 7.157 0.005 . 3 . . . . 62 Phe HE1 . 16630 1 758 . 1 1 62 62 PHE HE2 H 1 7.157 0.005 . 3 . . . . 62 Phe HE2 . 16630 1 759 . 1 1 62 62 PHE HZ H 1 7.153 0.000 . 1 . . . . 62 Phe HZ . 16630 1 760 . 1 1 62 62 PHE C C 13 175.759 0.000 . 1 . . . . 62 Phe C . 16630 1 761 . 1 1 62 62 PHE CA C 13 55.632 0.078 . 1 . . . . 62 Phe CA . 16630 1 762 . 1 1 62 62 PHE CB C 13 42.626 0.073 . 1 . . . . 62 Phe CB . 16630 1 763 . 1 1 62 62 PHE CD1 C 13 129.985 0.074 . 3 . . . . 62 Phe CD1 . 16630 1 764 . 1 1 62 62 PHE CD2 C 13 129.985 0.074 . 3 . . . . 62 Phe CD2 . 16630 1 765 . 1 1 62 62 PHE CE1 C 13 126.910 0.015 . 3 . . . . 62 Phe CE1 . 16630 1 766 . 1 1 62 62 PHE CE2 C 13 126.910 0.015 . 3 . . . . 62 Phe CE2 . 16630 1 767 . 1 1 62 62 PHE CZ C 13 126.181 0.000 . 1 . . . . 62 Phe CZ . 16630 1 768 . 1 1 62 62 PHE N N 15 112.636 0.011 . 1 . . . . 62 Phe N . 16630 1 769 . 1 1 63 63 VAL H H 1 9.123 0.007 . 1 . . . . 63 Val H . 16630 1 770 . 1 1 63 63 VAL HA H 1 4.487 0.013 . 1 . . . . 63 Val HA . 16630 1 771 . 1 1 63 63 VAL HB H 1 2.028 0.009 . 1 . . . . 63 Val HB . 16630 1 772 . 1 1 63 63 VAL HG11 H 1 0.602 0.018 . 2 . . . . 63 Val HG11 . 16630 1 773 . 1 1 63 63 VAL HG12 H 1 0.602 0.018 . 2 . . . . 63 Val HG12 . 16630 1 774 . 1 1 63 63 VAL HG13 H 1 0.602 0.018 . 2 . . . . 63 Val HG13 . 16630 1 775 . 1 1 63 63 VAL HG21 H 1 0.845 0.005 . 2 . . . . 63 Val HG21 . 16630 1 776 . 1 1 63 63 VAL HG22 H 1 0.845 0.005 . 2 . . . . 63 Val HG22 . 16630 1 777 . 1 1 63 63 VAL HG23 H 1 0.845 0.005 . 2 . . . . 63 Val HG23 . 16630 1 778 . 1 1 63 63 VAL CA C 13 58.814 0.099 . 1 . . . . 63 Val CA . 16630 1 779 . 1 1 63 63 VAL CB C 13 33.052 0.149 . 1 . . . . 63 Val CB . 16630 1 780 . 1 1 63 63 VAL CG1 C 13 21.572 0.134 . 2 . . . . 63 Val CG1 . 16630 1 781 . 1 1 63 63 VAL CG2 C 13 21.408 0.086 . 2 . . . . 63 Val CG2 . 16630 1 782 . 1 1 63 63 VAL N N 15 121.230 0.011 . 1 . . . . 63 Val N . 16630 1 783 . 1 1 64 64 PRO HA H 1 4.485 0.009 . 1 . . . . 64 Pro HA . 16630 1 784 . 1 1 64 64 PRO HB2 H 1 1.675 0.010 . 2 . . . . 64 Pro HB2 . 16630 1 785 . 1 1 64 64 PRO HB3 H 1 2.418 0.011 . 2 . . . . 64 Pro HB3 . 16630 1 786 . 1 1 64 64 PRO HD2 H 1 3.296 0.004 . 2 . . . . 64 Pro HD2 . 16630 1 787 . 1 1 64 64 PRO HD3 H 1 3.755 0.007 . 2 . . . . 64 Pro HD3 . 16630 1 788 . 1 1 64 64 PRO HG2 H 1 1.896 0.003 . 2 . . . . 64 Pro HG2 . 16630 1 789 . 1 1 64 64 PRO HG3 H 1 2.032 0.006 . 2 . . . . 64 Pro HG3 . 16630 1 790 . 1 1 64 64 PRO C C 13 174.230 0.000 . 1 . . . . 64 Pro C . 16630 1 791 . 1 1 64 64 PRO CA C 13 62.143 0.138 . 1 . . . . 64 Pro CA . 16630 1 792 . 1 1 64 64 PRO CB C 13 32.298 0.186 . 1 . . . . 64 Pro CB . 16630 1 793 . 1 1 64 64 PRO CD C 13 51.475 0.074 . 1 . . . . 64 Pro CD . 16630 1 794 . 1 1 64 64 PRO CG C 13 27.340 0.073 . 1 . . . . 64 Pro CG . 16630 1 795 . 1 1 65 65 ASN H H 1 8.583 0.004 . 1 . . . . 65 Asn H . 16630 1 796 . 1 1 65 65 ASN HA H 1 4.249 0.007 . 1 . . . . 65 Asn HA . 16630 1 797 . 1 1 65 65 ASN HB2 H 1 2.136 0.009 . 2 . . . . 65 Asn HB2 . 16630 1 798 . 1 1 65 65 ASN HB3 H 1 2.466 0.009 . 2 . . . . 65 Asn HB3 . 16630 1 799 . 1 1 65 65 ASN HD21 H 1 7.134 0.004 . 1 . . . . 65 Asn HD21 . 16630 1 800 . 1 1 65 65 ASN HD22 H 1 7.881 0.002 . 1 . . . . 65 Asn HD22 . 16630 1 801 . 1 1 65 65 ASN C C 13 177.694 0.000 . 1 . . . . 65 Asn C . 16630 1 802 . 1 1 65 65 ASN CA C 13 54.782 0.086 . 1 . . . . 65 Asn CA . 16630 1 803 . 1 1 65 65 ASN CB C 13 39.401 0.139 . 1 . . . . 65 Asn CB . 16630 1 804 . 1 1 65 65 ASN N N 15 118.163 0.026 . 1 . . . . 65 Asn N . 16630 1 805 . 1 1 65 65 ASN ND2 N 15 116.539 0.040 . 1 . . . . 65 Asn ND2 . 16630 1 806 . 1 1 66 66 THR H H 1 9.200 0.010 . 1 . . . . 66 Thr H . 16630 1 807 . 1 1 66 66 THR HA H 1 4.843 0.028 . 1 . . . . 66 Thr HA . 16630 1 808 . 1 1 66 66 THR HB H 1 4.566 0.010 . 1 . . . . 66 Thr HB . 16630 1 809 . 1 1 66 66 THR HG21 H 1 1.214 0.004 . 1 . . . . 66 Thr HG21 . 16630 1 810 . 1 1 66 66 THR HG22 H 1 1.214 0.004 . 1 . . . . 66 Thr HG22 . 16630 1 811 . 1 1 66 66 THR HG23 H 1 1.214 0.004 . 1 . . . . 66 Thr HG23 . 16630 1 812 . 1 1 66 66 THR C C 13 173.322 0.000 . 1 . . . . 66 Thr C . 16630 1 813 . 1 1 66 66 THR CA C 13 65.422 0.087 . 1 . . . . 66 Thr CA . 16630 1 814 . 1 1 66 66 THR CB C 13 69.127 0.176 . 1 . . . . 66 Thr CB . 16630 1 815 . 1 1 66 66 THR CG2 C 13 21.834 0.150 . 1 . . . . 66 Thr CG2 . 16630 1 816 . 1 1 66 66 THR N N 15 119.207 0.019 . 1 . . . . 66 Thr N . 16630 1 817 . 1 1 67 67 LYS H H 1 7.831 0.004 . 1 . . . . 67 Lys H . 16630 1 818 . 1 1 67 67 LYS HA H 1 4.932 0.017 . 1 . . . . 67 Lys HA . 16630 1 819 . 1 1 67 67 LYS HB2 H 1 1.761 0.006 . 2 . . . . 67 Lys HB2 . 16630 1 820 . 1 1 67 67 LYS HB3 H 1 2.084 0.011 . 2 . . . . 67 Lys HB3 . 16630 1 821 . 1 1 67 67 LYS HD2 H 1 1.320 0.007 . 2 . . . . 67 Lys HD2 . 16630 1 822 . 1 1 67 67 LYS HD3 H 1 1.636 0.005 . 2 . . . . 67 Lys HD3 . 16630 1 823 . 1 1 67 67 LYS HE2 H 1 2.774 0.012 . 2 . . . . 67 Lys HE2 . 16630 1 824 . 1 1 67 67 LYS HE3 H 1 2.911 0.002 . 2 . . . . 67 Lys HE3 . 16630 1 825 . 1 1 67 67 LYS HG2 H 1 1.184 0.006 . 1 . . . . 67 Lys HG2 . 16630 1 826 . 1 1 67 67 LYS HG3 H 1 1.184 0.006 . 1 . . . . 67 Lys HG3 . 16630 1 827 . 1 1 67 67 LYS C C 13 173.090 0.000 . 1 . . . . 67 Lys C . 16630 1 828 . 1 1 67 67 LYS CA C 13 53.049 0.012 . 1 . . . . 67 Lys CA . 16630 1 829 . 1 1 67 67 LYS CB C 13 32.860 0.033 . 1 . . . . 67 Lys CB . 16630 1 830 . 1 1 67 67 LYS CD C 13 28.008 0.100 . 1 . . . . 67 Lys CD . 16630 1 831 . 1 1 67 67 LYS CE C 13 42.403 0.117 . 1 . . . . 67 Lys CE . 16630 1 832 . 1 1 67 67 LYS CG C 13 25.599 0.115 . 1 . . . . 67 Lys CG . 16630 1 833 . 1 1 67 67 LYS N N 15 120.359 0.005 . 1 . . . . 67 Lys N . 16630 1 834 . 1 1 68 68 ALA H H 1 9.402 0.005 . 1 . . . . 68 Ala H . 16630 1 835 . 1 1 68 68 ALA HA H 1 5.842 0.012 . 1 . . . . 68 Ala HA . 16630 1 836 . 1 1 68 68 ALA HB1 H 1 1.140 0.010 . 1 . . . . 68 Ala HB1 . 16630 1 837 . 1 1 68 68 ALA HB2 H 1 1.140 0.010 . 1 . . . . 68 Ala HB2 . 16630 1 838 . 1 1 68 68 ALA HB3 H 1 1.140 0.010 . 1 . . . . 68 Ala HB3 . 16630 1 839 . 1 1 68 68 ALA C C 13 175.984 0.000 . 1 . . . . 68 Ala C . 16630 1 840 . 1 1 68 68 ALA CA C 13 48.829 0.123 . 1 . . . . 68 Ala CA . 16630 1 841 . 1 1 68 68 ALA CB C 13 23.475 0.104 . 1 . . . . 68 Ala CB . 16630 1 842 . 1 1 68 68 ALA N N 15 118.386 0.006 . 1 . . . . 68 Ala N . 16630 1 843 . 1 1 69 69 LEU H H 1 8.663 0.007 . 1 . . . . 69 Leu H . 16630 1 844 . 1 1 69 69 LEU HA H 1 5.004 0.008 . 1 . . . . 69 Leu HA . 16630 1 845 . 1 1 69 69 LEU HB2 H 1 1.695 0.031 . 2 . . . . 69 Leu HB2 . 16630 1 846 . 1 1 69 69 LEU HB3 H 1 1.761 0.017 . 2 . . . . 69 Leu HB3 . 16630 1 847 . 1 1 69 69 LEU HD11 H 1 0.948 0.006 . 2 . . . . 69 Leu HD11 . 16630 1 848 . 1 1 69 69 LEU HD12 H 1 0.948 0.006 . 2 . . . . 69 Leu HD12 . 16630 1 849 . 1 1 69 69 LEU HD13 H 1 0.948 0.006 . 2 . . . . 69 Leu HD13 . 16630 1 850 . 1 1 69 69 LEU HD21 H 1 0.853 0.005 . 2 . . . . 69 Leu HD21 . 16630 1 851 . 1 1 69 69 LEU HD22 H 1 0.853 0.005 . 2 . . . . 69 Leu HD22 . 16630 1 852 . 1 1 69 69 LEU HD23 H 1 0.853 0.005 . 2 . . . . 69 Leu HD23 . 16630 1 853 . 1 1 69 69 LEU HG H 1 2.237 0.008 . 1 . . . . 69 Leu HG . 16630 1 854 . 1 1 69 69 LEU C C 13 174.451 0.000 . 1 . . . . 69 Leu C . 16630 1 855 . 1 1 69 69 LEU CA C 13 53.216 0.061 . 1 . . . . 69 Leu CA . 16630 1 856 . 1 1 69 69 LEU CB C 13 43.863 0.097 . 1 . . . . 69 Leu CB . 16630 1 857 . 1 1 69 69 LEU CD1 C 13 28.711 0.139 . 2 . . . . 69 Leu CD1 . 16630 1 858 . 1 1 69 69 LEU CD2 C 13 25.857 0.125 . 2 . . . . 69 Leu CD2 . 16630 1 859 . 1 1 69 69 LEU CG C 13 25.893 0.109 . 1 . . . . 69 Leu CG . 16630 1 860 . 1 1 69 69 LEU N N 15 118.560 0.011 . 1 . . . . 69 Leu N . 16630 1 861 . 1 1 70 70 LEU H H 1 8.104 0.002 . 1 . . . . 70 Leu H . 16630 1 862 . 1 1 70 70 LEU HA H 1 5.677 0.007 . 1 . . . . 70 Leu HA . 16630 1 863 . 1 1 70 70 LEU HB2 H 1 1.008 0.009 . 2 . . . . 70 Leu HB2 . 16630 1 864 . 1 1 70 70 LEU HB3 H 1 2.258 0.012 . 2 . . . . 70 Leu HB3 . 16630 1 865 . 1 1 70 70 LEU HD11 H 1 0.694 0.004 . 2 . . . . 70 Leu HD11 . 16630 1 866 . 1 1 70 70 LEU HD12 H 1 0.694 0.004 . 2 . . . . 70 Leu HD12 . 16630 1 867 . 1 1 70 70 LEU HD13 H 1 0.694 0.004 . 2 . . . . 70 Leu HD13 . 16630 1 868 . 1 1 70 70 LEU HD21 H 1 0.845 0.004 . 2 . . . . 70 Leu HD21 . 16630 1 869 . 1 1 70 70 LEU HD22 H 1 0.845 0.004 . 2 . . . . 70 Leu HD22 . 16630 1 870 . 1 1 70 70 LEU HD23 H 1 0.845 0.004 . 2 . . . . 70 Leu HD23 . 16630 1 871 . 1 1 70 70 LEU HG H 1 1.624 0.006 . 1 . . . . 70 Leu HG . 16630 1 872 . 1 1 70 70 LEU C C 13 176.669 0.000 . 1 . . . . 70 Leu C . 16630 1 873 . 1 1 70 70 LEU CA C 13 53.022 0.098 . 1 . . . . 70 Leu CA . 16630 1 874 . 1 1 70 70 LEU CB C 13 45.056 0.108 . 1 . . . . 70 Leu CB . 16630 1 875 . 1 1 70 70 LEU CD1 C 13 26.429 0.185 . 2 . . . . 70 Leu CD1 . 16630 1 876 . 1 1 70 70 LEU CD2 C 13 24.214 0.084 . 2 . . . . 70 Leu CD2 . 16630 1 877 . 1 1 70 70 LEU CG C 13 26.860 0.191 . 1 . . . . 70 Leu CG . 16630 1 878 . 1 1 70 70 LEU N N 15 119.366 0.012 . 1 . . . . 70 Leu N . 16630 1 879 . 1 1 71 71 TYR H H 1 9.864 0.013 . 1 . . . . 71 Tyr H . 16630 1 880 . 1 1 71 71 TYR HA H 1 4.879 0.007 . 1 . . . . 71 Tyr HA . 16630 1 881 . 1 1 71 71 TYR HB2 H 1 2.183 0.012 . 2 . . . . 71 Tyr HB2 . 16630 1 882 . 1 1 71 71 TYR HB3 H 1 2.854 0.007 . 2 . . . . 71 Tyr HB3 . 16630 1 883 . 1 1 71 71 TYR HD1 H 1 6.551 0.000 . 3 . . . . 71 Tyr HD1 . 16630 1 884 . 1 1 71 71 TYR HD2 H 1 6.551 0.000 . 3 . . . . 71 Tyr HD2 . 16630 1 885 . 1 1 71 71 TYR HE1 H 1 6.744 0.001 . 3 . . . . 71 Tyr HE1 . 16630 1 886 . 1 1 71 71 TYR HE2 H 1 6.744 0.001 . 3 . . . . 71 Tyr HE2 . 16630 1 887 . 1 1 71 71 TYR C C 13 171.373 0.000 . 1 . . . . 71 Tyr C . 16630 1 888 . 1 1 71 71 TYR CA C 13 56.261 0.080 . 1 . . . . 71 Tyr CA . 16630 1 889 . 1 1 71 71 TYR CB C 13 42.698 0.043 . 1 . . . . 71 Tyr CB . 16630 1 890 . 1 1 71 71 TYR N N 15 124.879 0.009 . 1 . . . . 71 Tyr N . 16630 1 891 . 1 1 72 72 SER H H 1 6.054 0.016 . 1 . . . . 72 Ser H . 16630 1 892 . 1 1 72 72 SER HA H 1 5.122 0.005 . 1 . . . . 72 Ser HA . 16630 1 893 . 1 1 72 72 SER HB2 H 1 3.637 0.013 . 2 . . . . 72 Ser HB2 . 16630 1 894 . 1 1 72 72 SER HB3 H 1 3.972 0.013 . 2 . . . . 72 Ser HB3 . 16630 1 895 . 1 1 72 72 SER C C 13 171.111 0.000 . 1 . . . . 72 Ser C . 16630 1 896 . 1 1 72 72 SER CA C 13 56.071 0.072 . 1 . . . . 72 Ser CA . 16630 1 897 . 1 1 72 72 SER CB C 13 66.174 0.110 . 1 . . . . 72 Ser CB . 16630 1 898 . 1 1 72 72 SER N N 15 116.182 0.018 . 1 . . . . 72 Ser N . 16630 1 899 . 1 1 73 73 GLY H H 1 8.103 0.004 . 1 . . . . 73 Gly H . 16630 1 900 . 1 1 73 73 GLY HA2 H 1 3.637 0.009 . 2 . . . . 73 Gly HA2 . 16630 1 901 . 1 1 73 73 GLY HA3 H 1 4.702 0.019 . 2 . . . . 73 Gly HA3 . 16630 1 902 . 1 1 73 73 GLY C C 13 170.730 0.000 . 1 . . . . 73 Gly C . 16630 1 903 . 1 1 73 73 GLY CA C 13 44.088 0.089 . 1 . . . . 73 Gly CA . 16630 1 904 . 1 1 73 73 GLY N N 15 102.046 0.006 . 1 . . . . 73 Gly N . 16630 1 905 . 1 1 74 74 ARG H H 1 9.219 0.008 . 1 . . . . 74 Arg H . 16630 1 906 . 1 1 74 74 ARG HA H 1 5.083 0.019 . 1 . . . . 74 Arg HA . 16630 1 907 . 1 1 74 74 ARG HB2 H 1 1.877 0.008 . 2 . . . . 74 Arg HB2 . 16630 1 908 . 1 1 74 74 ARG HB3 H 1 2.156 0.011 . 2 . . . . 74 Arg HB3 . 16630 1 909 . 1 1 74 74 ARG HD2 H 1 3.072 0.000 . 1 . . . . 74 Arg HD2 . 16630 1 910 . 1 1 74 74 ARG HD3 H 1 3.072 0.000 . 1 . . . . 74 Arg HD3 . 16630 1 911 . 1 1 74 74 ARG HE H 1 7.156 0.000 . 1 . . . . 74 Arg HE . 16630 1 912 . 1 1 74 74 ARG HG2 H 1 1.406 0.007 . 1 . . . . 74 Arg HG2 . 16630 1 913 . 1 1 74 74 ARG HG3 H 1 1.406 0.007 . 1 . . . . 74 Arg HG3 . 16630 1 914 . 1 1 74 74 ARG C C 13 173.946 0.000 . 1 . . . . 74 Arg C . 16630 1 915 . 1 1 74 74 ARG CA C 13 55.143 0.098 . 1 . . . . 74 Arg CA . 16630 1 916 . 1 1 74 74 ARG CB C 13 33.332 0.106 . 1 . . . . 74 Arg CB . 16630 1 917 . 1 1 74 74 ARG CD C 13 43.378 0.053 . 1 . . . . 74 Arg CD . 16630 1 918 . 1 1 74 74 ARG CG C 13 26.114 0.030 . 1 . . . . 74 Arg CG . 16630 1 919 . 1 1 74 74 ARG N N 15 113.385 0.021 . 1 . . . . 74 Arg N . 16630 1 920 . 1 1 74 74 ARG NE N 15 84.800 0.000 . 1 . . . . 74 Arg NE . 16630 1 921 . 1 1 75 75 LYS H H 1 7.558 0.012 . 1 . . . . 75 Lys H . 16630 1 922 . 1 1 75 75 LYS HA H 1 4.545 0.007 . 1 . . . . 75 Lys HA . 16630 1 923 . 1 1 75 75 LYS HB2 H 1 1.500 0.006 . 2 . . . . 75 Lys HB2 . 16630 1 924 . 1 1 75 75 LYS HB3 H 1 2.305 0.010 . 2 . . . . 75 Lys HB3 . 16630 1 925 . 1 1 75 75 LYS HD2 H 1 1.806 0.005 . 2 . . . . 75 Lys HD2 . 16630 1 926 . 1 1 75 75 LYS HD3 H 1 2.200 0.004 . 2 . . . . 75 Lys HD3 . 16630 1 927 . 1 1 75 75 LYS HE2 H 1 3.404 0.007 . 2 . . . . 75 Lys HE2 . 16630 1 928 . 1 1 75 75 LYS HE3 H 1 3.538 0.006 . 2 . . . . 75 Lys HE3 . 16630 1 929 . 1 1 75 75 LYS HG2 H 1 1.521 0.005 . 2 . . . . 75 Lys HG2 . 16630 1 930 . 1 1 75 75 LYS HG3 H 1 1.792 0.010 . 2 . . . . 75 Lys HG3 . 16630 1 931 . 1 1 75 75 LYS C C 13 175.244 0.000 . 1 . . . . 75 Lys C . 16630 1 932 . 1 1 75 75 LYS CA C 13 55.596 0.150 . 1 . . . . 75 Lys CA . 16630 1 933 . 1 1 75 75 LYS CB C 13 32.465 0.189 . 1 . . . . 75 Lys CB . 16630 1 934 . 1 1 75 75 LYS CD C 13 28.521 0.106 . 1 . . . . 75 Lys CD . 16630 1 935 . 1 1 75 75 LYS CE C 13 41.389 0.098 . 1 . . . . 75 Lys CE . 16630 1 936 . 1 1 75 75 LYS CG C 13 21.763 0.058 . 1 . . . . 75 Lys CG . 16630 1 937 . 1 1 75 75 LYS N N 15 115.464 0.013 . 1 . . . . 75 Lys N . 16630 1 938 . 1 1 76 76 ASP H H 1 8.366 0.005 . 1 . . . . 76 Asp H . 16630 1 939 . 1 1 76 76 ASP HA H 1 4.431 0.009 . 1 . . . . 76 Asp HA . 16630 1 940 . 1 1 76 76 ASP HB2 H 1 2.408 0.020 . 2 . . . . 76 Asp HB2 . 16630 1 941 . 1 1 76 76 ASP HB3 H 1 2.761 0.019 . 2 . . . . 76 Asp HB3 . 16630 1 942 . 1 1 76 76 ASP C C 13 176.091 0.000 . 1 . . . . 76 Asp C . 16630 1 943 . 1 1 76 76 ASP CA C 13 54.310 0.154 . 1 . . . . 76 Asp CA . 16630 1 944 . 1 1 76 76 ASP CB C 13 41.375 0.204 . 1 . . . . 76 Asp CB . 16630 1 945 . 1 1 76 76 ASP N N 15 119.556 0.012 . 1 . . . . 76 Asp N . 16630 1 946 . 1 1 77 77 THR H H 1 8.401 0.002 . 1 . . . . 77 Thr H . 16630 1 947 . 1 1 77 77 THR HA H 1 4.190 0.012 . 1 . . . . 77 Thr HA . 16630 1 948 . 1 1 77 77 THR HB H 1 4.267 0.010 . 1 . . . . 77 Thr HB . 16630 1 949 . 1 1 77 77 THR HG21 H 1 1.261 0.008 . 1 . . . . 77 Thr HG21 . 16630 1 950 . 1 1 77 77 THR HG22 H 1 1.261 0.008 . 1 . . . . 77 Thr HG22 . 16630 1 951 . 1 1 77 77 THR HG23 H 1 1.261 0.008 . 1 . . . . 77 Thr HG23 . 16630 1 952 . 1 1 77 77 THR C C 13 174.816 0.000 . 1 . . . . 77 Thr C . 16630 1 953 . 1 1 77 77 THR CA C 13 62.920 0.138 . 1 . . . . 77 Thr CA . 16630 1 954 . 1 1 77 77 THR CB C 13 69.434 0.145 . 1 . . . . 77 Thr CB . 16630 1 955 . 1 1 77 77 THR CG2 C 13 21.380 0.085 . 1 . . . . 77 Thr CG2 . 16630 1 956 . 1 1 77 77 THR N N 15 114.253 0.011 . 1 . . . . 77 Thr N . 16630 1 957 . 1 1 78 78 GLY H H 1 8.435 0.002 . 1 . . . . 78 Gly H . 16630 1 958 . 1 1 78 78 GLY HA2 H 1 3.979 0.007 . 2 . . . . 78 Gly HA2 . 16630 1 959 . 1 1 78 78 GLY HA3 H 1 4.396 0.011 . 2 . . . . 78 Gly HA3 . 16630 1 960 . 1 1 78 78 GLY CA C 13 44.535 0.205 . 1 . . . . 78 Gly CA . 16630 1 961 . 1 1 78 78 GLY N N 15 110.736 0.006 . 1 . . . . 78 Gly N . 16630 1 962 . 1 1 79 79 PRO HA H 1 4.599 0.038 . 1 . . . . 79 Pro HA . 16630 1 963 . 1 1 79 79 PRO HB2 H 1 2.129 0.019 . 2 . . . . 79 Pro HB2 . 16630 1 964 . 1 1 79 79 PRO HB3 H 1 2.169 0.009 . 2 . . . . 79 Pro HB3 . 16630 1 965 . 1 1 79 79 PRO HD2 H 1 3.546 0.008 . 2 . . . . 79 Pro HD2 . 16630 1 966 . 1 1 79 79 PRO HD3 H 1 3.719 0.011 . 2 . . . . 79 Pro HD3 . 16630 1 967 . 1 1 79 79 PRO HG2 H 1 1.924 0.008 . 2 . . . . 79 Pro HG2 . 16630 1 968 . 1 1 79 79 PRO HG3 H 1 2.066 0.013 . 2 . . . . 79 Pro HG3 . 16630 1 969 . 1 1 79 79 PRO C C 13 176.755 0.000 . 1 . . . . 79 Pro C . 16630 1 970 . 1 1 79 79 PRO CA C 13 63.655 0.127 . 1 . . . . 79 Pro CA . 16630 1 971 . 1 1 79 79 PRO CB C 13 30.872 0.137 . 1 . . . . 79 Pro CB . 16630 1 972 . 1 1 79 79 PRO CD C 13 49.674 0.103 . 1 . . . . 79 Pro CD . 16630 1 973 . 1 1 79 79 PRO CG C 13 26.976 0.096 . 1 . . . . 79 Pro CG . 16630 1 974 . 1 1 80 80 VAL H H 1 7.701 0.004 . 1 . . . . 80 Val H . 16630 1 975 . 1 1 80 80 VAL HA H 1 4.009 0.008 . 1 . . . . 80 Val HA . 16630 1 976 . 1 1 80 80 VAL HB H 1 1.990 0.009 . 1 . . . . 80 Val HB . 16630 1 977 . 1 1 80 80 VAL HG11 H 1 0.862 0.007 . 2 . . . . 80 Val HG11 . 16630 1 978 . 1 1 80 80 VAL HG12 H 1 0.862 0.007 . 2 . . . . 80 Val HG12 . 16630 1 979 . 1 1 80 80 VAL HG13 H 1 0.862 0.007 . 2 . . . . 80 Val HG13 . 16630 1 980 . 1 1 80 80 VAL HG21 H 1 0.869 0.004 . 2 . . . . 80 Val HG21 . 16630 1 981 . 1 1 80 80 VAL HG22 H 1 0.869 0.004 . 2 . . . . 80 Val HG22 . 16630 1 982 . 1 1 80 80 VAL HG23 H 1 0.869 0.004 . 2 . . . . 80 Val HG23 . 16630 1 983 . 1 1 80 80 VAL C C 13 175.474 0.000 . 1 . . . . 80 Val C . 16630 1 984 . 1 1 80 80 VAL CA C 13 61.746 0.163 . 1 . . . . 80 Val CA . 16630 1 985 . 1 1 80 80 VAL CB C 13 32.564 0.135 . 1 . . . . 80 Val CB . 16630 1 986 . 1 1 80 80 VAL CG1 C 13 21.112 0.150 . 2 . . . . 80 Val CG1 . 16630 1 987 . 1 1 80 80 VAL CG2 C 13 20.380 0.046 . 2 . . . . 80 Val CG2 . 16630 1 988 . 1 1 80 80 VAL N N 15 119.663 0.012 . 1 . . . . 80 Val N . 16630 1 989 . 1 1 81 81 ALA H H 1 8.342 0.005 . 1 . . . . 81 Ala H . 16630 1 990 . 1 1 81 81 ALA HA H 1 3.376 0.010 . 1 . . . . 81 Ala HA . 16630 1 991 . 1 1 81 81 ALA HB1 H 1 0.739 0.006 . 1 . . . . 81 Ala HB1 . 16630 1 992 . 1 1 81 81 ALA HB2 H 1 0.739 0.006 . 1 . . . . 81 Ala HB2 . 16630 1 993 . 1 1 81 81 ALA HB3 H 1 0.739 0.006 . 1 . . . . 81 Ala HB3 . 16630 1 994 . 1 1 81 81 ALA C C 13 176.197 0.000 . 1 . . . . 81 Ala C . 16630 1 995 . 1 1 81 81 ALA CA C 13 51.080 0.105 . 1 . . . . 81 Ala CA . 16630 1 996 . 1 1 81 81 ALA CB C 13 17.535 0.182 . 1 . . . . 81 Ala CB . 16630 1 997 . 1 1 81 81 ALA N N 15 131.440 0.014 . 1 . . . . 81 Ala N . 16630 1 998 . 1 1 82 82 THR H H 1 7.301 0.002 . 1 . . . . 82 Thr H . 16630 1 999 . 1 1 82 82 THR HA H 1 4.557 0.012 . 1 . . . . 82 Thr HA . 16630 1 1000 . 1 1 82 82 THR HB H 1 4.404 0.023 . 1 . . . . 82 Thr HB . 16630 1 1001 . 1 1 82 82 THR HG21 H 1 1.142 0.012 . 1 . . . . 82 Thr HG21 . 16630 1 1002 . 1 1 82 82 THR HG22 H 1 1.142 0.012 . 1 . . . . 82 Thr HG22 . 16630 1 1003 . 1 1 82 82 THR HG23 H 1 1.142 0.012 . 1 . . . . 82 Thr HG23 . 16630 1 1004 . 1 1 82 82 THR C C 13 173.046 0.000 . 1 . . . . 82 Thr C . 16630 1 1005 . 1 1 82 82 THR CA C 13 60.008 0.108 . 1 . . . . 82 Thr CA . 16630 1 1006 . 1 1 82 82 THR CB C 13 71.882 0.114 . 1 . . . . 82 Thr CB . 16630 1 1007 . 1 1 82 82 THR CG2 C 13 22.089 0.001 . 1 . . . . 82 Thr CG2 . 16630 1 1008 . 1 1 82 82 THR N N 15 112.360 0.008 . 1 . . . . 82 Thr N . 16630 1 1009 . 1 1 83 83 GLY H H 1 8.074 0.005 . 1 . . . . 83 Gly H . 16630 1 1010 . 1 1 83 83 GLY HA2 H 1 4.054 0.011 . 2 . . . . 83 Gly HA2 . 16630 1 1011 . 1 1 83 83 GLY HA3 H 1 4.267 0.007 . 2 . . . . 83 Gly HA3 . 16630 1 1012 . 1 1 83 83 GLY C C 13 172.582 0.000 . 1 . . . . 83 Gly C . 16630 1 1013 . 1 1 83 83 GLY CA C 13 42.995 0.082 . 1 . . . . 83 Gly CA . 16630 1 1014 . 1 1 83 83 GLY N N 15 105.866 0.010 . 1 . . . . 83 Gly N . 16630 1 1015 . 1 1 84 84 ALA H H 1 9.056 0.004 . 1 . . . . 84 Ala H . 16630 1 1016 . 1 1 84 84 ALA HA H 1 4.878 0.008 . 1 . . . . 84 Ala HA . 16630 1 1017 . 1 1 84 84 ALA HB1 H 1 1.054 0.009 . 1 . . . . 84 Ala HB1 . 16630 1 1018 . 1 1 84 84 ALA HB2 H 1 1.054 0.009 . 1 . . . . 84 Ala HB2 . 16630 1 1019 . 1 1 84 84 ALA HB3 H 1 1.054 0.009 . 1 . . . . 84 Ala HB3 . 16630 1 1020 . 1 1 84 84 ALA C C 13 174.484 0.000 . 1 . . . . 84 Ala C . 16630 1 1021 . 1 1 84 84 ALA CA C 13 50.919 0.040 . 1 . . . . 84 Ala CA . 16630 1 1022 . 1 1 84 84 ALA CB C 13 18.917 0.045 . 1 . . . . 84 Ala CB . 16630 1 1023 . 1 1 84 84 ALA N N 15 125.952 0.009 . 1 . . . . 84 Ala N . 16630 1 1024 . 1 1 85 85 VAL H H 1 8.884 0.003 . 1 . . . . 85 Val H . 16630 1 1025 . 1 1 85 85 VAL HA H 1 4.893 0.011 . 1 . . . . 85 Val HA . 16630 1 1026 . 1 1 85 85 VAL HB H 1 1.708 0.006 . 1 . . . . 85 Val HB . 16630 1 1027 . 1 1 85 85 VAL HG11 H 1 0.787 0.012 . 2 . . . . 85 Val HG11 . 16630 1 1028 . 1 1 85 85 VAL HG12 H 1 0.787 0.012 . 2 . . . . 85 Val HG12 . 16630 1 1029 . 1 1 85 85 VAL HG13 H 1 0.787 0.012 . 2 . . . . 85 Val HG13 . 16630 1 1030 . 1 1 85 85 VAL HG21 H 1 0.933 0.005 . 2 . . . . 85 Val HG21 . 16630 1 1031 . 1 1 85 85 VAL HG22 H 1 0.933 0.005 . 2 . . . . 85 Val HG22 . 16630 1 1032 . 1 1 85 85 VAL HG23 H 1 0.933 0.005 . 2 . . . . 85 Val HG23 . 16630 1 1033 . 1 1 85 85 VAL C C 13 174.171 0.000 . 1 . . . . 85 Val C . 16630 1 1034 . 1 1 85 85 VAL CA C 13 60.884 0.152 . 1 . . . . 85 Val CA . 16630 1 1035 . 1 1 85 85 VAL CB C 13 35.663 0.074 . 1 . . . . 85 Val CB . 16630 1 1036 . 1 1 85 85 VAL CG1 C 13 22.486 0.066 . 2 . . . . 85 Val CG1 . 16630 1 1037 . 1 1 85 85 VAL CG2 C 13 19.558 0.081 . 2 . . . . 85 Val CG2 . 16630 1 1038 . 1 1 85 85 VAL N N 15 124.220 0.014 . 1 . . . . 85 Val N . 16630 1 1039 . 1 1 86 86 ALA H H 1 8.393 0.003 . 1 . . . . 86 Ala H . 16630 1 1040 . 1 1 86 86 ALA HA H 1 4.710 0.015 . 1 . . . . 86 Ala HA . 16630 1 1041 . 1 1 86 86 ALA HB1 H 1 -0.104 0.005 . 1 . . . . 86 Ala HB1 . 16630 1 1042 . 1 1 86 86 ALA HB2 H 1 -0.104 0.005 . 1 . . . . 86 Ala HB2 . 16630 1 1043 . 1 1 86 86 ALA HB3 H 1 -0.104 0.005 . 1 . . . . 86 Ala HB3 . 16630 1 1044 . 1 1 86 86 ALA C C 13 175.187 0.000 . 1 . . . . 86 Ala C . 16630 1 1045 . 1 1 86 86 ALA CA C 13 50.886 0.090 . 1 . . . . 86 Ala CA . 16630 1 1046 . 1 1 86 86 ALA CB C 13 22.865 0.165 . 1 . . . . 86 Ala CB . 16630 1 1047 . 1 1 86 86 ALA N N 15 128.418 0.013 . 1 . . . . 86 Ala N . 16630 1 1048 . 1 1 87 87 ALA H H 1 8.724 0.004 . 1 . . . . 87 Ala H . 16630 1 1049 . 1 1 87 87 ALA HA H 1 5.813 0.014 . 1 . . . . 87 Ala HA . 16630 1 1050 . 1 1 87 87 ALA HB1 H 1 1.255 0.008 . 1 . . . . 87 Ala HB1 . 16630 1 1051 . 1 1 87 87 ALA HB2 H 1 1.255 0.008 . 1 . . . . 87 Ala HB2 . 16630 1 1052 . 1 1 87 87 ALA HB3 H 1 1.255 0.008 . 1 . . . . 87 Ala HB3 . 16630 1 1053 . 1 1 87 87 ALA C C 13 175.327 0.000 . 1 . . . . 87 Ala C . 16630 1 1054 . 1 1 87 87 ALA CA C 13 50.014 0.110 . 1 . . . . 87 Ala CA . 16630 1 1055 . 1 1 87 87 ALA CB C 13 22.604 0.163 . 1 . . . . 87 Ala CB . 16630 1 1056 . 1 1 87 87 ALA N N 15 117.003 0.014 . 1 . . . . 87 Ala N . 16630 1 1057 . 1 1 88 88 PHE H H 1 9.380 0.008 . 1 . . . . 88 Phe H . 16630 1 1058 . 1 1 88 88 PHE HA H 1 5.345 0.009 . 1 . . . . 88 Phe HA . 16630 1 1059 . 1 1 88 88 PHE HB2 H 1 2.882 0.006 . 2 . . . . 88 Phe HB2 . 16630 1 1060 . 1 1 88 88 PHE HB3 H 1 3.129 0.018 . 2 . . . . 88 Phe HB3 . 16630 1 1061 . 1 1 88 88 PHE HD1 H 1 7.019 0.013 . 3 . . . . 88 Phe HD1 . 16630 1 1062 . 1 1 88 88 PHE HD2 H 1 7.019 0.013 . 3 . . . . 88 Phe HD2 . 16630 1 1063 . 1 1 88 88 PHE HE1 H 1 7.250 0.010 . 3 . . . . 88 Phe HE1 . 16630 1 1064 . 1 1 88 88 PHE HE2 H 1 7.250 0.010 . 3 . . . . 88 Phe HE2 . 16630 1 1065 . 1 1 88 88 PHE HZ H 1 7.111 0.000 . 1 . . . . 88 Phe HZ . 16630 1 1066 . 1 1 88 88 PHE C C 13 171.482 0.000 . 1 . . . . 88 Phe C . 16630 1 1067 . 1 1 88 88 PHE CA C 13 56.312 0.097 . 1 . . . . 88 Phe CA . 16630 1 1068 . 1 1 88 88 PHE CB C 13 42.006 0.095 . 1 . . . . 88 Phe CB . 16630 1 1069 . 1 1 88 88 PHE CD1 C 13 130.729 0.027 . 3 . . . . 88 Phe CD1 . 16630 1 1070 . 1 1 88 88 PHE CD2 C 13 130.729 0.027 . 3 . . . . 88 Phe CD2 . 16630 1 1071 . 1 1 88 88 PHE CE1 C 13 127.164 0.030 . 3 . . . . 88 Phe CE1 . 16630 1 1072 . 1 1 88 88 PHE CE2 C 13 127.164 0.030 . 3 . . . . 88 Phe CE2 . 16630 1 1073 . 1 1 88 88 PHE N N 15 116.810 0.010 . 1 . . . . 88 Phe N . 16630 1 1074 . 1 1 89 89 ALA H H 1 8.071 0.008 . 1 . . . . 89 Ala H . 16630 1 1075 . 1 1 89 89 ALA HA H 1 5.979 0.009 . 1 . . . . 89 Ala HA . 16630 1 1076 . 1 1 89 89 ALA HB1 H 1 1.312 0.005 . 1 . . . . 89 Ala HB1 . 16630 1 1077 . 1 1 89 89 ALA HB2 H 1 1.312 0.005 . 1 . . . . 89 Ala HB2 . 16630 1 1078 . 1 1 89 89 ALA HB3 H 1 1.312 0.005 . 1 . . . . 89 Ala HB3 . 16630 1 1079 . 1 1 89 89 ALA C C 13 175.011 0.000 . 1 . . . . 89 Ala C . 16630 1 1080 . 1 1 89 89 ALA CA C 13 50.695 0.060 . 1 . . . . 89 Ala CA . 16630 1 1081 . 1 1 89 89 ALA CB C 13 24.362 0.117 . 1 . . . . 89 Ala CB . 16630 1 1082 . 1 1 89 89 ALA N N 15 120.353 0.028 . 1 . . . . 89 Ala N . 16630 1 1083 . 1 1 90 90 TYR H H 1 9.003 0.006 . 1 . . . . 90 Tyr H . 16630 1 1084 . 1 1 90 90 TYR HA H 1 4.580 0.008 . 1 . . . . 90 Tyr HA . 16630 1 1085 . 1 1 90 90 TYR HB2 H 1 2.438 0.012 . 2 . . . . 90 Tyr HB2 . 16630 1 1086 . 1 1 90 90 TYR HB3 H 1 2.571 0.012 . 2 . . . . 90 Tyr HB3 . 16630 1 1087 . 1 1 90 90 TYR HD1 H 1 6.838 0.005 . 3 . . . . 90 Tyr HD1 . 16630 1 1088 . 1 1 90 90 TYR HD2 H 1 6.838 0.005 . 3 . . . . 90 Tyr HD2 . 16630 1 1089 . 1 1 90 90 TYR HE1 H 1 6.649 0.005 . 3 . . . . 90 Tyr HE1 . 16630 1 1090 . 1 1 90 90 TYR HE2 H 1 6.649 0.005 . 3 . . . . 90 Tyr HE2 . 16630 1 1091 . 1 1 90 90 TYR C C 13 173.744 0.000 . 1 . . . . 90 Tyr C . 16630 1 1092 . 1 1 90 90 TYR CA C 13 58.151 0.149 . 1 . . . . 90 Tyr CA . 16630 1 1093 . 1 1 90 90 TYR CB C 13 43.810 0.033 . 1 . . . . 90 Tyr CB . 16630 1 1094 . 1 1 90 90 TYR CD1 C 13 131.073 0.146 . 3 . . . . 90 Tyr CD1 . 16630 1 1095 . 1 1 90 90 TYR CD2 C 13 131.073 0.146 . 3 . . . . 90 Tyr CD2 . 16630 1 1096 . 1 1 90 90 TYR CE1 C 13 114.868 0.081 . 3 . . . . 90 Tyr CE1 . 16630 1 1097 . 1 1 90 90 TYR CE2 C 13 114.868 0.081 . 3 . . . . 90 Tyr CE2 . 16630 1 1098 . 1 1 90 90 TYR N N 15 119.587 0.012 . 1 . . . . 90 Tyr N . 16630 1 1099 . 1 1 91 91 TYR H H 1 9.965 0.003 . 1 . . . . 91 Tyr H . 16630 1 1100 . 1 1 91 91 TYR HA H 1 4.960 0.006 . 1 . . . . 91 Tyr HA . 16630 1 1101 . 1 1 91 91 TYR HB2 H 1 2.825 0.005 . 2 . . . . 91 Tyr HB2 . 16630 1 1102 . 1 1 91 91 TYR HB3 H 1 3.132 0.011 . 2 . . . . 91 Tyr HB3 . 16630 1 1103 . 1 1 91 91 TYR HD1 H 1 7.119 0.001 . 3 . . . . 91 Tyr HD1 . 16630 1 1104 . 1 1 91 91 TYR HD2 H 1 7.119 0.001 . 3 . . . . 91 Tyr HD2 . 16630 1 1105 . 1 1 91 91 TYR HE1 H 1 6.960 0.000 . 3 . . . . 91 Tyr HE1 . 16630 1 1106 . 1 1 91 91 TYR HE2 H 1 6.960 0.000 . 3 . . . . 91 Tyr HE2 . 16630 1 1107 . 1 1 91 91 TYR C C 13 175.472 0.000 . 1 . . . . 91 Tyr C . 16630 1 1108 . 1 1 91 91 TYR CA C 13 56.606 0.144 . 1 . . . . 91 Tyr CA . 16630 1 1109 . 1 1 91 91 TYR CB C 13 39.386 0.036 . 1 . . . . 91 Tyr CB . 16630 1 1110 . 1 1 91 91 TYR N N 15 124.407 0.004 . 1 . . . . 91 Tyr N . 16630 1 1111 . 1 1 92 92 MET H H 1 8.877 0.007 . 1 . . . . 92 Met H . 16630 1 1112 . 1 1 92 92 MET HA H 1 4.862 0.011 . 1 . . . . 92 Met HA . 16630 1 1113 . 1 1 92 92 MET HB2 H 1 2.027 0.018 . 2 . . . . 92 Met HB2 . 16630 1 1114 . 1 1 92 92 MET HB3 H 1 2.378 0.030 . 2 . . . . 92 Met HB3 . 16630 1 1115 . 1 1 92 92 MET HE1 H 1 2.137 0.004 . 1 . . . . 92 Met HE1 . 16630 1 1116 . 1 1 92 92 MET HE2 H 1 2.137 0.004 . 1 . . . . 92 Met HE2 . 16630 1 1117 . 1 1 92 92 MET HE3 H 1 2.137 0.004 . 1 . . . . 92 Met HE3 . 16630 1 1118 . 1 1 92 92 MET HG2 H 1 1.396 0.011 . 2 . . . . 92 Met HG2 . 16630 1 1119 . 1 1 92 92 MET HG3 H 1 2.251 0.010 . 2 . . . . 92 Met HG3 . 16630 1 1120 . 1 1 92 92 MET C C 13 177.174 0.000 . 1 . . . . 92 Met C . 16630 1 1121 . 1 1 92 92 MET CA C 13 56.078 0.112 . 1 . . . . 92 Met CA . 16630 1 1122 . 1 1 92 92 MET CB C 13 35.189 0.081 . 1 . . . . 92 Met CB . 16630 1 1123 . 1 1 92 92 MET CE C 13 18.847 0.076 . 1 . . . . 92 Met CE . 16630 1 1124 . 1 1 92 92 MET CG C 13 31.652 0.073 . 1 . . . . 92 Met CG . 16630 1 1125 . 1 1 92 92 MET N N 15 127.025 0.013 . 1 . . . . 92 Met N . 16630 1 1126 . 1 1 93 93 SER H H 1 8.151 0.002 . 1 . . . . 93 Ser H . 16630 1 1127 . 1 1 93 93 SER HA H 1 4.174 0.016 . 1 . . . . 93 Ser HA . 16630 1 1128 . 1 1 93 93 SER HB2 H 1 3.986 0.003 . 2 . . . . 93 Ser HB2 . 16630 1 1129 . 1 1 93 93 SER HB3 H 1 4.284 0.015 . 2 . . . . 93 Ser HB3 . 16630 1 1130 . 1 1 93 93 SER C C 13 174.417 0.000 . 1 . . . . 93 Ser C . 16630 1 1131 . 1 1 93 93 SER CA C 13 61.666 0.112 . 1 . . . . 93 Ser CA . 16630 1 1132 . 1 1 93 93 SER CB C 13 62.858 0.110 . 1 . . . . 93 Ser CB . 16630 1 1133 . 1 1 93 93 SER N N 15 116.812 0.028 . 1 . . . . 93 Ser N . 16630 1 1134 . 1 1 94 94 SER H H 1 7.096 0.007 . 1 . . . . 94 Ser H . 16630 1 1135 . 1 1 94 94 SER HA H 1 4.356 0.011 . 1 . . . . 94 Ser HA . 16630 1 1136 . 1 1 94 94 SER HB2 H 1 3.925 0.011 . 2 . . . . 94 Ser HB2 . 16630 1 1137 . 1 1 94 94 SER HB3 H 1 4.050 0.018 . 2 . . . . 94 Ser HB3 . 16630 1 1138 . 1 1 94 94 SER C C 13 174.976 0.000 . 1 . . . . 94 Ser C . 16630 1 1139 . 1 1 94 94 SER CA C 13 57.863 0.140 . 1 . . . . 94 Ser CA . 16630 1 1140 . 1 1 94 94 SER CB C 13 63.723 0.099 . 1 . . . . 94 Ser CB . 16630 1 1141 . 1 1 94 94 SER N N 15 112.705 0.013 . 1 . . . . 94 Ser N . 16630 1 1142 . 1 1 95 95 GLY H H 1 8.138 0.004 . 1 . . . . 95 Gly H . 16630 1 1143 . 1 1 95 95 GLY HA2 H 1 3.602 0.022 . 2 . . . . 95 Gly HA2 . 16630 1 1144 . 1 1 95 95 GLY HA3 H 1 4.224 0.008 . 2 . . . . 95 Gly HA3 . 16630 1 1145 . 1 1 95 95 GLY C C 13 172.406 0.000 . 1 . . . . 95 Gly C . 16630 1 1146 . 1 1 95 95 GLY CA C 13 45.207 0.102 . 1 . . . . 95 Gly CA . 16630 1 1147 . 1 1 95 95 GLY N N 15 109.551 0.028 . 1 . . . . 95 Gly N . 16630 1 1148 . 1 1 96 96 ASN H H 1 6.432 0.003 . 1 . . . . 96 Asn H . 16630 1 1149 . 1 1 96 96 ASN HA H 1 5.733 0.014 . 1 . . . . 96 Asn HA . 16630 1 1150 . 1 1 96 96 ASN HB2 H 1 1.755 0.012 . 2 . . . . 96 Asn HB2 . 16630 1 1151 . 1 1 96 96 ASN HB3 H 1 2.635 0.009 . 2 . . . . 96 Asn HB3 . 16630 1 1152 . 1 1 96 96 ASN HD21 H 1 6.518 0.008 . 1 . . . . 96 Asn HD21 . 16630 1 1153 . 1 1 96 96 ASN HD22 H 1 6.746 0.017 . 1 . . . . 96 Asn HD22 . 16630 1 1154 . 1 1 96 96 ASN C C 13 173.290 0.000 . 1 . . . . 96 Asn C . 16630 1 1155 . 1 1 96 96 ASN CA C 13 51.397 0.068 . 1 . . . . 96 Asn CA . 16630 1 1156 . 1 1 96 96 ASN CB C 13 41.749 0.037 . 1 . . . . 96 Asn CB . 16630 1 1157 . 1 1 96 96 ASN N N 15 114.748 0.025 . 1 . . . . 96 Asn N . 16630 1 1158 . 1 1 96 96 ASN ND2 N 15 113.919 0.019 . 1 . . . . 96 Asn ND2 . 16630 1 1159 . 1 1 97 97 THR H H 1 9.327 0.004 . 1 . . . . 97 Thr H . 16630 1 1160 . 1 1 97 97 THR HA H 1 5.019 0.005 . 1 . . . . 97 Thr HA . 16630 1 1161 . 1 1 97 97 THR HB H 1 3.971 0.014 . 1 . . . . 97 Thr HB . 16630 1 1162 . 1 1 97 97 THR HG21 H 1 1.349 0.005 . 1 . . . . 97 Thr HG21 . 16630 1 1163 . 1 1 97 97 THR HG22 H 1 1.349 0.005 . 1 . . . . 97 Thr HG22 . 16630 1 1164 . 1 1 97 97 THR HG23 H 1 1.349 0.005 . 1 . . . . 97 Thr HG23 . 16630 1 1165 . 1 1 97 97 THR C C 13 172.587 0.000 . 1 . . . . 97 Thr C . 16630 1 1166 . 1 1 97 97 THR CA C 13 63.558 0.108 . 1 . . . . 97 Thr CA . 16630 1 1167 . 1 1 97 97 THR CB C 13 72.475 0.111 . 1 . . . . 97 Thr CB . 16630 1 1168 . 1 1 97 97 THR CG2 C 13 21.117 0.019 . 1 . . . . 97 Thr CG2 . 16630 1 1169 . 1 1 97 97 THR N N 15 117.808 0.010 . 1 . . . . 97 Thr N . 16630 1 1170 . 1 1 98 98 LEU H H 1 9.538 0.014 . 1 . . . . 98 Leu H . 16630 1 1171 . 1 1 98 98 LEU HA H 1 4.558 0.008 . 1 . . . . 98 Leu HA . 16630 1 1172 . 1 1 98 98 LEU HB2 H 1 1.094 0.011 . 2 . . . . 98 Leu HB2 . 16630 1 1173 . 1 1 98 98 LEU HB3 H 1 1.537 0.006 . 2 . . . . 98 Leu HB3 . 16630 1 1174 . 1 1 98 98 LEU HD11 H 1 0.527 0.018 . 2 . . . . 98 Leu HD11 . 16630 1 1175 . 1 1 98 98 LEU HD12 H 1 0.527 0.018 . 2 . . . . 98 Leu HD12 . 16630 1 1176 . 1 1 98 98 LEU HD13 H 1 0.527 0.018 . 2 . . . . 98 Leu HD13 . 16630 1 1177 . 1 1 98 98 LEU HD21 H 1 0.045 0.006 . 2 . . . . 98 Leu HD21 . 16630 1 1178 . 1 1 98 98 LEU HD22 H 1 0.045 0.006 . 2 . . . . 98 Leu HD22 . 16630 1 1179 . 1 1 98 98 LEU HD23 H 1 0.045 0.006 . 2 . . . . 98 Leu HD23 . 16630 1 1180 . 1 1 98 98 LEU HG H 1 1.116 0.006 . 1 . . . . 98 Leu HG . 16630 1 1181 . 1 1 98 98 LEU C C 13 174.216 0.000 . 1 . . . . 98 Leu C . 16630 1 1182 . 1 1 98 98 LEU CA C 13 54.088 0.139 . 1 . . . . 98 Leu CA . 16630 1 1183 . 1 1 98 98 LEU CB C 13 43.621 0.150 . 1 . . . . 98 Leu CB . 16630 1 1184 . 1 1 98 98 LEU CD1 C 13 24.286 0.095 . 2 . . . . 98 Leu CD1 . 16630 1 1185 . 1 1 98 98 LEU CD2 C 13 26.016 0.048 . 2 . . . . 98 Leu CD2 . 16630 1 1186 . 1 1 98 98 LEU CG C 13 26.822 0.130 . 1 . . . . 98 Leu CG . 16630 1 1187 . 1 1 98 98 LEU N N 15 130.070 0.008 . 1 . . . . 98 Leu N . 16630 1 1188 . 1 1 99 99 GLY H H 1 9.637 0.004 . 1 . . . . 99 Gly H . 16630 1 1189 . 1 1 99 99 GLY HA2 H 1 3.628 0.010 . 2 . . . . 99 Gly HA2 . 16630 1 1190 . 1 1 99 99 GLY HA3 H 1 5.127 0.010 . 2 . . . . 99 Gly HA3 . 16630 1 1191 . 1 1 99 99 GLY C C 13 171.310 0.000 . 1 . . . . 99 Gly C . 16630 1 1192 . 1 1 99 99 GLY CA C 13 45.054 0.051 . 1 . . . . 99 Gly CA . 16630 1 1193 . 1 1 99 99 GLY N N 15 116.390 0.006 . 1 . . . . 99 Gly N . 16630 1 1194 . 1 1 100 100 VAL H H 1 8.518 0.005 . 1 . . . . 100 Val H . 16630 1 1195 . 1 1 100 100 VAL HA H 1 4.714 0.005 . 1 . . . . 100 Val HA . 16630 1 1196 . 1 1 100 100 VAL HB H 1 0.360 0.006 . 1 . . . . 100 Val HB . 16630 1 1197 . 1 1 100 100 VAL HG11 H 1 0.637 0.005 . 2 . . . . 100 Val HG11 . 16630 1 1198 . 1 1 100 100 VAL HG12 H 1 0.637 0.005 . 2 . . . . 100 Val HG12 . 16630 1 1199 . 1 1 100 100 VAL HG13 H 1 0.637 0.005 . 2 . . . . 100 Val HG13 . 16630 1 1200 . 1 1 100 100 VAL HG21 H 1 0.854 0.008 . 2 . . . . 100 Val HG21 . 16630 1 1201 . 1 1 100 100 VAL HG22 H 1 0.854 0.008 . 2 . . . . 100 Val HG22 . 16630 1 1202 . 1 1 100 100 VAL HG23 H 1 0.854 0.008 . 2 . . . . 100 Val HG23 . 16630 1 1203 . 1 1 100 100 VAL C C 13 173.462 0.000 . 1 . . . . 100 Val C . 16630 1 1204 . 1 1 100 100 VAL CA C 13 60.561 0.091 . 1 . . . . 100 Val CA . 16630 1 1205 . 1 1 100 100 VAL CB C 13 34.535 0.096 . 1 . . . . 100 Val CB . 16630 1 1206 . 1 1 100 100 VAL CG1 C 13 20.669 0.125 . 2 . . . . 100 Val CG1 . 16630 1 1207 . 1 1 100 100 VAL CG2 C 13 22.353 0.095 . 2 . . . . 100 Val CG2 . 16630 1 1208 . 1 1 100 100 VAL N N 15 122.604 0.017 . 1 . . . . 100 Val N . 16630 1 1209 . 1 1 101 101 MET H H 1 8.879 0.003 . 1 . . . . 101 Met H . 16630 1 1210 . 1 1 101 101 MET HA H 1 5.581 0.013 . 1 . . . . 101 Met HA . 16630 1 1211 . 1 1 101 101 MET HB2 H 1 1.753 0.016 . 2 . . . . 101 Met HB2 . 16630 1 1212 . 1 1 101 101 MET HB3 H 1 2.051 0.016 . 2 . . . . 101 Met HB3 . 16630 1 1213 . 1 1 101 101 MET HE1 H 1 1.724 0.003 . 1 . . . . 101 Met HE1 . 16630 1 1214 . 1 1 101 101 MET HE2 H 1 1.724 0.003 . 1 . . . . 101 Met HE2 . 16630 1 1215 . 1 1 101 101 MET HE3 H 1 1.724 0.003 . 1 . . . . 101 Met HE3 . 16630 1 1216 . 1 1 101 101 MET HG2 H 1 2.631 0.008 . 2 . . . . 101 Met HG2 . 16630 1 1217 . 1 1 101 101 MET HG3 H 1 2.849 0.011 . 2 . . . . 101 Met HG3 . 16630 1 1218 . 1 1 101 101 MET C C 13 174.604 0.000 . 1 . . . . 101 Met C . 16630 1 1219 . 1 1 101 101 MET CA C 13 53.195 0.086 . 1 . . . . 101 Met CA . 16630 1 1220 . 1 1 101 101 MET CB C 13 35.257 0.150 . 1 . . . . 101 Met CB . 16630 1 1221 . 1 1 101 101 MET CE C 13 16.561 0.093 . 1 . . . . 101 Met CE . 16630 1 1222 . 1 1 101 101 MET CG C 13 32.031 0.069 . 1 . . . . 101 Met CG . 16630 1 1223 . 1 1 101 101 MET N N 15 125.589 0.017 . 1 . . . . 101 Met N . 16630 1 1224 . 1 1 102 102 PHE H H 1 8.338 0.005 . 1 . . . . 102 Phe H . 16630 1 1225 . 1 1 102 102 PHE HA H 1 5.634 0.005 . 1 . . . . 102 Phe HA . 16630 1 1226 . 1 1 102 102 PHE HB2 H 1 3.077 0.036 . 2 . . . . 102 Phe HB2 . 16630 1 1227 . 1 1 102 102 PHE HB3 H 1 3.110 0.028 . 2 . . . . 102 Phe HB3 . 16630 1 1228 . 1 1 102 102 PHE HD1 H 1 7.012 0.006 . 3 . . . . 102 Phe HD1 . 16630 1 1229 . 1 1 102 102 PHE HD2 H 1 7.012 0.006 . 3 . . . . 102 Phe HD2 . 16630 1 1230 . 1 1 102 102 PHE HE1 H 1 7.240 0.020 . 3 . . . . 102 Phe HE1 . 16630 1 1231 . 1 1 102 102 PHE HE2 H 1 7.240 0.020 . 3 . . . . 102 Phe HE2 . 16630 1 1232 . 1 1 102 102 PHE C C 13 174.646 0.000 . 1 . . . . 102 Phe C . 16630 1 1233 . 1 1 102 102 PHE CA C 13 56.470 0.090 . 1 . . . . 102 Phe CA . 16630 1 1234 . 1 1 102 102 PHE CB C 13 43.845 0.092 . 1 . . . . 102 Phe CB . 16630 1 1235 . 1 1 102 102 PHE CD1 C 13 128.499 0.024 . 3 . . . . 102 Phe CD1 . 16630 1 1236 . 1 1 102 102 PHE CD2 C 13 128.499 0.024 . 3 . . . . 102 Phe CD2 . 16630 1 1237 . 1 1 102 102 PHE CE1 C 13 128.866 0.000 . 3 . . . . 102 Phe CE1 . 16630 1 1238 . 1 1 102 102 PHE CE2 C 13 128.866 0.000 . 3 . . . . 102 Phe CE2 . 16630 1 1239 . 1 1 102 102 PHE N N 15 117.472 0.006 . 1 . . . . 102 Phe N . 16630 1 1240 . 1 1 103 103 SER H H 1 9.050 0.002 . 1 . . . . 103 Ser H . 16630 1 1241 . 1 1 103 103 SER HA H 1 5.104 0.016 . 1 . . . . 103 Ser HA . 16630 1 1242 . 1 1 103 103 SER HB2 H 1 4.046 0.013 . 2 . . . . 103 Ser HB2 . 16630 1 1243 . 1 1 103 103 SER HB3 H 1 4.269 0.020 . 2 . . . . 103 Ser HB3 . 16630 1 1244 . 1 1 103 103 SER C C 13 173.002 0.000 . 1 . . . . 103 Ser C . 16630 1 1245 . 1 1 103 103 SER CA C 13 58.301 0.097 . 1 . . . . 103 Ser CA . 16630 1 1246 . 1 1 103 103 SER CB C 13 64.108 0.122 . 1 . . . . 103 Ser CB . 16630 1 1247 . 1 1 103 103 SER N N 15 113.821 0.008 . 1 . . . . 103 Ser N . 16630 1 1248 . 1 1 104 104 VAL H H 1 8.705 0.003 . 1 . . . . 104 Val H . 16630 1 1249 . 1 1 104 104 VAL HA H 1 5.018 0.008 . 1 . . . . 104 Val HA . 16630 1 1250 . 1 1 104 104 VAL HB H 1 2.335 0.007 . 1 . . . . 104 Val HB . 16630 1 1251 . 1 1 104 104 VAL HG11 H 1 0.863 0.007 . 2 . . . . 104 Val HG11 . 16630 1 1252 . 1 1 104 104 VAL HG12 H 1 0.863 0.007 . 2 . . . . 104 Val HG12 . 16630 1 1253 . 1 1 104 104 VAL HG13 H 1 0.863 0.007 . 2 . . . . 104 Val HG13 . 16630 1 1254 . 1 1 104 104 VAL HG21 H 1 1.217 0.010 . 2 . . . . 104 Val HG21 . 16630 1 1255 . 1 1 104 104 VAL HG22 H 1 1.217 0.010 . 2 . . . . 104 Val HG22 . 16630 1 1256 . 1 1 104 104 VAL HG23 H 1 1.217 0.010 . 2 . . . . 104 Val HG23 . 16630 1 1257 . 1 1 104 104 VAL CA C 13 58.787 0.048 . 1 . . . . 104 Val CA . 16630 1 1258 . 1 1 104 104 VAL CB C 13 33.387 0.115 . 1 . . . . 104 Val CB . 16630 1 1259 . 1 1 104 104 VAL CG1 C 13 21.669 0.075 . 1 . . . . 104 Val CG1 . 16630 1 1260 . 1 1 104 104 VAL CG2 C 13 21.669 0.075 . 1 . . . . 104 Val CG2 . 16630 1 1261 . 1 1 104 104 VAL N N 15 130.873 0.016 . 1 . . . . 104 Val N . 16630 1 1262 . 1 1 105 105 PRO HA H 1 4.528 0.009 . 1 . . . . 105 Pro HA . 16630 1 1263 . 1 1 105 105 PRO HB2 H 1 1.582 0.010 . 2 . . . . 105 Pro HB2 . 16630 1 1264 . 1 1 105 105 PRO HB3 H 1 2.003 0.015 . 2 . . . . 105 Pro HB3 . 16630 1 1265 . 1 1 105 105 PRO HD2 H 1 3.614 0.007 . 2 . . . . 105 Pro HD2 . 16630 1 1266 . 1 1 105 105 PRO HD3 H 1 4.264 0.005 . 2 . . . . 105 Pro HD3 . 16630 1 1267 . 1 1 105 105 PRO HG2 H 1 0.676 0.004 . 2 . . . . 105 Pro HG2 . 16630 1 1268 . 1 1 105 105 PRO HG3 H 1 1.205 0.008 . 2 . . . . 105 Pro HG3 . 16630 1 1269 . 1 1 105 105 PRO C C 13 174.854 0.000 . 1 . . . . 105 Pro C . 16630 1 1270 . 1 1 105 105 PRO CA C 13 62.009 0.088 . 1 . . . . 105 Pro CA . 16630 1 1271 . 1 1 105 105 PRO CB C 13 32.680 0.101 . 1 . . . . 105 Pro CB . 16630 1 1272 . 1 1 105 105 PRO CD C 13 50.333 0.161 . 1 . . . . 105 Pro CD . 16630 1 1273 . 1 1 105 105 PRO CG C 13 25.711 0.035 . 1 . . . . 105 Pro CG . 16630 1 1274 . 1 1 106 106 PHE H H 1 8.027 0.003 . 1 . . . . 106 Phe H . 16630 1 1275 . 1 1 106 106 PHE HA H 1 4.076 0.007 . 1 . . . . 106 Phe HA . 16630 1 1276 . 1 1 106 106 PHE HB2 H 1 2.601 0.011 . 2 . . . . 106 Phe HB2 . 16630 1 1277 . 1 1 106 106 PHE HB3 H 1 2.769 0.013 . 2 . . . . 106 Phe HB3 . 16630 1 1278 . 1 1 106 106 PHE HD1 H 1 7.514 0.000 . 3 . . . . 106 Phe HD1 . 16630 1 1279 . 1 1 106 106 PHE HD2 H 1 7.514 0.000 . 3 . . . . 106 Phe HD2 . 16630 1 1280 . 1 1 106 106 PHE HE1 H 1 7.244 0.000 . 3 . . . . 106 Phe HE1 . 16630 1 1281 . 1 1 106 106 PHE HE2 H 1 7.244 0.000 . 3 . . . . 106 Phe HE2 . 16630 1 1282 . 1 1 106 106 PHE HZ H 1 7.237 0.000 . 1 . . . . 106 Phe HZ . 16630 1 1283 . 1 1 106 106 PHE C C 13 175.482 0.000 . 1 . . . . 106 Phe C . 16630 1 1284 . 1 1 106 106 PHE CA C 13 61.395 0.122 . 1 . . . . 106 Phe CA . 16630 1 1285 . 1 1 106 106 PHE CB C 13 39.730 0.082 . 1 . . . . 106 Phe CB . 16630 1 1286 . 1 1 106 106 PHE N N 15 114.764 0.059 . 1 . . . . 106 Phe N . 16630 1 1287 . 1 1 107 107 ASP H H 1 8.198 0.003 . 1 . . . . 107 Asp H . 16630 1 1288 . 1 1 107 107 ASP HA H 1 4.599 0.011 . 1 . . . . 107 Asp HA . 16630 1 1289 . 1 1 107 107 ASP HB2 H 1 2.566 0.012 . 2 . . . . 107 Asp HB2 . 16630 1 1290 . 1 1 107 107 ASP HB3 H 1 2.927 0.005 . 2 . . . . 107 Asp HB3 . 16630 1 1291 . 1 1 107 107 ASP C C 13 169.424 0.000 . 1 . . . . 107 Asp C . 16630 1 1292 . 1 1 107 107 ASP CA C 13 52.865 0.098 . 1 . . . . 107 Asp CA . 16630 1 1293 . 1 1 107 107 ASP CB C 13 42.520 0.071 . 1 . . . . 107 Asp CB . 16630 1 1294 . 1 1 107 107 ASP N N 15 117.718 0.033 . 1 . . . . 107 Asp N . 16630 1 1295 . 1 1 108 108 TYR H H 1 8.591 0.002 . 1 . . . . 108 Tyr H . 16630 1 1296 . 1 1 108 108 TYR HA H 1 4.708 0.015 . 1 . . . . 108 Tyr HA . 16630 1 1297 . 1 1 108 108 TYR HB2 H 1 2.155 0.000 . 2 . . . . 108 Tyr HB2 . 16630 1 1298 . 1 1 108 108 TYR HB3 H 1 2.575 0.036 . 2 . . . . 108 Tyr HB3 . 16630 1 1299 . 1 1 108 108 TYR HD1 H 1 7.068 0.005 . 3 . . . . 108 Tyr HD1 . 16630 1 1300 . 1 1 108 108 TYR HD2 H 1 7.068 0.005 . 3 . . . . 108 Tyr HD2 . 16630 1 1301 . 1 1 108 108 TYR HE1 H 1 6.754 0.016 . 3 . . . . 108 Tyr HE1 . 16630 1 1302 . 1 1 108 108 TYR HE2 H 1 6.754 0.016 . 3 . . . . 108 Tyr HE2 . 16630 1 1303 . 1 1 108 108 TYR C C 13 176.904 0.000 . 1 . . . . 108 Tyr C . 16630 1 1304 . 1 1 108 108 TYR CA C 13 60.494 0.027 . 1 . . . . 108 Tyr CA . 16630 1 1305 . 1 1 108 108 TYR CB C 13 38.215 0.073 . 1 . . . . 108 Tyr CB . 16630 1 1306 . 1 1 108 108 TYR CD1 C 13 129.901 0.002 . 3 . . . . 108 Tyr CD1 . 16630 1 1307 . 1 1 108 108 TYR CD2 C 13 129.901 0.002 . 3 . . . . 108 Tyr CD2 . 16630 1 1308 . 1 1 108 108 TYR CE1 C 13 115.193 0.006 . 3 . . . . 108 Tyr CE1 . 16630 1 1309 . 1 1 108 108 TYR CE2 C 13 115.193 0.006 . 3 . . . . 108 Tyr CE2 . 16630 1 1310 . 1 1 108 108 TYR N N 15 124.142 0.033 . 1 . . . . 108 Tyr N . 16630 1 1311 . 1 1 109 109 ASN H H 1 8.839 0.004 . 1 . . . . 109 Asn H . 16630 1 1312 . 1 1 109 109 ASN HA H 1 4.350 0.014 . 1 . . . . 109 Asn HA . 16630 1 1313 . 1 1 109 109 ASN HB2 H 1 2.175 0.016 . 2 . . . . 109 Asn HB2 . 16630 1 1314 . 1 1 109 109 ASN HB3 H 1 2.742 0.019 . 2 . . . . 109 Asn HB3 . 16630 1 1315 . 1 1 109 109 ASN HD21 H 1 6.878 0.001 . 1 . . . . 109 Asn HD21 . 16630 1 1316 . 1 1 109 109 ASN HD22 H 1 7.774 0.001 . 1 . . . . 109 Asn HD22 . 16630 1 1317 . 1 1 109 109 ASN C C 13 176.275 0.000 . 1 . . . . 109 Asn C . 16630 1 1318 . 1 1 109 109 ASN CA C 13 55.898 0.125 . 1 . . . . 109 Asn CA . 16630 1 1319 . 1 1 109 109 ASN CB C 13 37.621 0.078 . 1 . . . . 109 Asn CB . 16630 1 1320 . 1 1 109 109 ASN N N 15 119.427 0.056 . 1 . . . . 109 Asn N . 16630 1 1321 . 1 1 109 109 ASN ND2 N 15 114.322 0.017 . 1 . . . . 109 Asn ND2 . 16630 1 1322 . 1 1 110 110 TRP H H 1 7.535 0.005 . 1 . . . . 110 Trp H . 16630 1 1323 . 1 1 110 110 TRP HA H 1 4.891 0.015 . 1 . . . . 110 Trp HA . 16630 1 1324 . 1 1 110 110 TRP HB2 H 1 3.073 0.024 . 2 . . . . 110 Trp HB2 . 16630 1 1325 . 1 1 110 110 TRP HB3 H 1 3.586 0.015 . 2 . . . . 110 Trp HB3 . 16630 1 1326 . 1 1 110 110 TRP HD1 H 1 7.198 0.007 . 1 . . . . 110 Trp HD1 . 16630 1 1327 . 1 1 110 110 TRP HE1 H 1 10.103 0.002 . 1 . . . . 110 Trp HE1 . 16630 1 1328 . 1 1 110 110 TRP HE3 H 1 7.140 0.013 . 1 . . . . 110 Trp HE3 . 16630 1 1329 . 1 1 110 110 TRP HH2 H 1 7.016 0.012 . 1 . . . . 110 Trp HH2 . 16630 1 1330 . 1 1 110 110 TRP HZ2 H 1 7.306 0.022 . 1 . . . . 110 Trp HZ2 . 16630 1 1331 . 1 1 110 110 TRP HZ3 H 1 6.775 0.015 . 1 . . . . 110 Trp HZ3 . 16630 1 1332 . 1 1 110 110 TRP C C 13 175.114 0.000 . 1 . . . . 110 Trp C . 16630 1 1333 . 1 1 110 110 TRP CA C 13 56.473 0.110 . 1 . . . . 110 Trp CA . 16630 1 1334 . 1 1 110 110 TRP CB C 13 30.724 0.119 . 1 . . . . 110 Trp CB . 16630 1 1335 . 1 1 110 110 TRP CD1 C 13 124.663 0.054 . 1 . . . . 110 Trp CD1 . 16630 1 1336 . 1 1 110 110 TRP CE3 C 13 118.508 0.026 . 1 . . . . 110 Trp CE3 . 16630 1 1337 . 1 1 110 110 TRP CH2 C 13 120.903 0.005 . 1 . . . . 110 Trp CH2 . 16630 1 1338 . 1 1 110 110 TRP CZ2 C 13 110.803 0.053 . 1 . . . . 110 Trp CZ2 . 16630 1 1339 . 1 1 110 110 TRP CZ3 C 13 118.744 0.063 . 1 . . . . 110 Trp CZ3 . 16630 1 1340 . 1 1 110 110 TRP N N 15 115.666 0.040 . 1 . . . . 110 Trp N . 16630 1 1341 . 1 1 110 110 TRP NE1 N 15 128.518 0.013 . 1 . . . . 110 Trp NE1 . 16630 1 1342 . 1 1 111 111 ASN H H 1 7.535 0.004 . 1 . . . . 111 Asn H . 16630 1 1343 . 1 1 111 111 ASN HA H 1 5.367 0.016 . 1 . . . . 111 Asn HA . 16630 1 1344 . 1 1 111 111 ASN HB2 H 1 2.683 0.009 . 2 . . . . 111 Asn HB2 . 16630 1 1345 . 1 1 111 111 ASN HB3 H 1 2.693 0.005 . 2 . . . . 111 Asn HB3 . 16630 1 1346 . 1 1 111 111 ASN HD21 H 1 7.162 0.001 . 1 . . . . 111 Asn HD21 . 16630 1 1347 . 1 1 111 111 ASN HD22 H 1 7.851 0.010 . 1 . . . . 111 Asn HD22 . 16630 1 1348 . 1 1 111 111 ASN C C 13 172.983 0.000 . 1 . . . . 111 Asn C . 16630 1 1349 . 1 1 111 111 ASN CA C 13 52.067 0.052 . 1 . . . . 111 Asn CA . 16630 1 1350 . 1 1 111 111 ASN CB C 13 43.777 0.123 . 1 . . . . 111 Asn CB . 16630 1 1351 . 1 1 111 111 ASN N N 15 116.830 0.025 . 1 . . . . 111 Asn N . 16630 1 1352 . 1 1 111 111 ASN ND2 N 15 114.763 0.034 . 1 . . . . 111 Asn ND2 . 16630 1 1353 . 1 1 112 112 SER H H 1 8.379 0.003 . 1 . . . . 112 Ser H . 16630 1 1354 . 1 1 112 112 SER HA H 1 4.863 0.021 . 1 . . . . 112 Ser HA . 16630 1 1355 . 1 1 112 112 SER HB2 H 1 3.471 0.035 . 2 . . . . 112 Ser HB2 . 16630 1 1356 . 1 1 112 112 SER HB3 H 1 3.590 0.019 . 2 . . . . 112 Ser HB3 . 16630 1 1357 . 1 1 112 112 SER C C 13 171.299 0.000 . 1 . . . . 112 Ser C . 16630 1 1358 . 1 1 112 112 SER CA C 13 57.049 0.138 . 1 . . . . 112 Ser CA . 16630 1 1359 . 1 1 112 112 SER CB C 13 66.415 0.122 . 1 . . . . 112 Ser CB . 16630 1 1360 . 1 1 112 112 SER N N 15 111.770 0.008 . 1 . . . . 112 Ser N . 16630 1 1361 . 1 1 113 113 ASN H H 1 8.777 0.005 . 1 . . . . 113 Asn H . 16630 1 1362 . 1 1 113 113 ASN HA H 1 5.826 0.019 . 1 . . . . 113 Asn HA . 16630 1 1363 . 1 1 113 113 ASN HB2 H 1 2.928 0.019 . 2 . . . . 113 Asn HB2 . 16630 1 1364 . 1 1 113 113 ASN HB3 H 1 3.373 0.021 . 2 . . . . 113 Asn HB3 . 16630 1 1365 . 1 1 113 113 ASN HD21 H 1 6.963 0.000 . 1 . . . . 113 Asn HD21 . 16630 1 1366 . 1 1 113 113 ASN HD22 H 1 7.724 0.005 . 1 . . . . 113 Asn HD22 . 16630 1 1367 . 1 1 113 113 ASN C C 13 177.752 0.000 . 1 . . . . 113 Asn C . 16630 1 1368 . 1 1 113 113 ASN CA C 13 53.734 0.077 . 1 . . . . 113 Asn CA . 16630 1 1369 . 1 1 113 113 ASN CB C 13 38.484 0.077 . 1 . . . . 113 Asn CB . 16630 1 1370 . 1 1 113 113 ASN N N 15 122.250 0.028 . 1 . . . . 113 Asn N . 16630 1 1371 . 1 1 113 113 ASN ND2 N 15 112.766 0.005 . 1 . . . . 113 Asn ND2 . 16630 1 1372 . 1 1 114 114 TRP H H 1 9.070 0.003 . 1 . . . . 114 Trp H . 16630 1 1373 . 1 1 114 114 TRP HA H 1 5.859 0.011 . 1 . . . . 114 Trp HA . 16630 1 1374 . 1 1 114 114 TRP HB2 H 1 2.909 0.011 . 2 . . . . 114 Trp HB2 . 16630 1 1375 . 1 1 114 114 TRP HB3 H 1 3.255 0.008 . 2 . . . . 114 Trp HB3 . 16630 1 1376 . 1 1 114 114 TRP HD1 H 1 7.507 0.007 . 1 . . . . 114 Trp HD1 . 16630 1 1377 . 1 1 114 114 TRP HE1 H 1 10.331 0.002 . 1 . . . . 114 Trp HE1 . 16630 1 1378 . 1 1 114 114 TRP HE3 H 1 7.666 0.003 . 1 . . . . 114 Trp HE3 . 16630 1 1379 . 1 1 114 114 TRP HH2 H 1 7.202 0.003 . 1 . . . . 114 Trp HH2 . 16630 1 1380 . 1 1 114 114 TRP HZ2 H 1 7.461 0.004 . 1 . . . . 114 Trp HZ2 . 16630 1 1381 . 1 1 114 114 TRP HZ3 H 1 7.132 0.006 . 1 . . . . 114 Trp HZ3 . 16630 1 1382 . 1 1 114 114 TRP C C 13 174.255 0.000 . 1 . . . . 114 Trp C . 16630 1 1383 . 1 1 114 114 TRP CA C 13 57.012 0.119 . 1 . . . . 114 Trp CA . 16630 1 1384 . 1 1 114 114 TRP CB C 13 36.259 0.121 . 1 . . . . 114 Trp CB . 16630 1 1385 . 1 1 114 114 TRP CD1 C 13 126.829 0.017 . 1 . . . . 114 Trp CD1 . 16630 1 1386 . 1 1 114 114 TRP CE3 C 13 118.524 0.144 . 1 . . . . 114 Trp CE3 . 16630 1 1387 . 1 1 114 114 TRP CH2 C 13 121.955 0.004 . 1 . . . . 114 Trp CH2 . 16630 1 1388 . 1 1 114 114 TRP CZ2 C 13 111.864 0.035 . 1 . . . . 114 Trp CZ2 . 16630 1 1389 . 1 1 114 114 TRP CZ3 C 13 118.756 0.033 . 1 . . . . 114 Trp CZ3 . 16630 1 1390 . 1 1 114 114 TRP N N 15 121.665 0.013 . 1 . . . . 114 Trp N . 16630 1 1391 . 1 1 114 114 TRP NE1 N 15 128.851 0.035 . 1 . . . . 114 Trp NE1 . 16630 1 1392 . 1 1 115 115 TRP H H 1 9.618 0.013 . 1 . . . . 115 Trp H . 16630 1 1393 . 1 1 115 115 TRP HA H 1 5.565 0.010 . 1 . . . . 115 Trp HA . 16630 1 1394 . 1 1 115 115 TRP HB2 H 1 3.673 0.018 . 2 . . . . 115 Trp HB2 . 16630 1 1395 . 1 1 115 115 TRP HB3 H 1 4.151 0.008 . 2 . . . . 115 Trp HB3 . 16630 1 1396 . 1 1 115 115 TRP HD1 H 1 6.625 0.002 . 1 . . . . 115 Trp HD1 . 16630 1 1397 . 1 1 115 115 TRP HE1 H 1 8.925 0.031 . 1 . . . . 115 Trp HE1 . 16630 1 1398 . 1 1 115 115 TRP HE3 H 1 7.294 0.003 . 1 . . . . 115 Trp HE3 . 16630 1 1399 . 1 1 115 115 TRP HH2 H 1 6.570 0.019 . 1 . . . . 115 Trp HH2 . 16630 1 1400 . 1 1 115 115 TRP HZ2 H 1 7.057 0.003 . 1 . . . . 115 Trp HZ2 . 16630 1 1401 . 1 1 115 115 TRP HZ3 H 1 7.076 0.010 . 1 . . . . 115 Trp HZ3 . 16630 1 1402 . 1 1 115 115 TRP C C 13 174.375 0.000 . 1 . . . . 115 Trp C . 16630 1 1403 . 1 1 115 115 TRP CA C 13 56.483 0.120 . 1 . . . . 115 Trp CA . 16630 1 1404 . 1 1 115 115 TRP CB C 13 31.911 0.050 . 1 . . . . 115 Trp CB . 16630 1 1405 . 1 1 115 115 TRP CD1 C 13 125.196 0.006 . 1 . . . . 115 Trp CD1 . 16630 1 1406 . 1 1 115 115 TRP CE3 C 13 117.191 0.025 . 1 . . . . 115 Trp CE3 . 16630 1 1407 . 1 1 115 115 TRP CH2 C 13 120.058 0.020 . 1 . . . . 115 Trp CH2 . 16630 1 1408 . 1 1 115 115 TRP CZ2 C 13 110.747 0.068 . 1 . . . . 115 Trp CZ2 . 16630 1 1409 . 1 1 115 115 TRP CZ3 C 13 118.455 0.077 . 1 . . . . 115 Trp CZ3 . 16630 1 1410 . 1 1 115 115 TRP N N 15 116.010 0.038 . 1 . . . . 115 Trp N . 16630 1 1411 . 1 1 115 115 TRP NE1 N 15 128.371 0.029 . 1 . . . . 115 Trp NE1 . 16630 1 1412 . 1 1 116 116 ASP H H 1 8.794 0.005 . 1 . . . . 116 Asp H . 16630 1 1413 . 1 1 116 116 ASP HA H 1 4.642 0.021 . 1 . . . . 116 Asp HA . 16630 1 1414 . 1 1 116 116 ASP HB2 H 1 2.357 0.001 . 2 . . . . 116 Asp HB2 . 16630 1 1415 . 1 1 116 116 ASP HB3 H 1 2.804 0.011 . 2 . . . . 116 Asp HB3 . 16630 1 1416 . 1 1 116 116 ASP C C 13 173.328 0.000 . 1 . . . . 116 Asp C . 16630 1 1417 . 1 1 116 116 ASP CA C 13 53.952 0.000 . 1 . . . . 116 Asp CA . 16630 1 1418 . 1 1 116 116 ASP CB C 13 43.075 0.195 . 1 . . . . 116 Asp CB . 16630 1 1419 . 1 1 116 116 ASP N N 15 111.461 0.011 . 1 . . . . 116 Asp N . 16630 1 1420 . 1 1 117 117 VAL H H 1 9.025 0.006 . 1 . . . . 117 Val H . 16630 1 1421 . 1 1 117 117 VAL HA H 1 5.267 0.011 . 1 . . . . 117 Val HA . 16630 1 1422 . 1 1 117 117 VAL HB H 1 2.038 0.008 . 1 . . . . 117 Val HB . 16630 1 1423 . 1 1 117 117 VAL HG11 H 1 1.056 0.003 . 2 . . . . 117 Val HG11 . 16630 1 1424 . 1 1 117 117 VAL HG12 H 1 1.056 0.003 . 2 . . . . 117 Val HG12 . 16630 1 1425 . 1 1 117 117 VAL HG13 H 1 1.056 0.003 . 2 . . . . 117 Val HG13 . 16630 1 1426 . 1 1 117 117 VAL HG21 H 1 1.336 0.023 . 2 . . . . 117 Val HG21 . 16630 1 1427 . 1 1 117 117 VAL HG22 H 1 1.336 0.023 . 2 . . . . 117 Val HG22 . 16630 1 1428 . 1 1 117 117 VAL HG23 H 1 1.336 0.023 . 2 . . . . 117 Val HG23 . 16630 1 1429 . 1 1 117 117 VAL C C 13 173.482 0.000 . 1 . . . . 117 Val C . 16630 1 1430 . 1 1 117 117 VAL CA C 13 60.457 0.078 . 1 . . . . 117 Val CA . 16630 1 1431 . 1 1 117 117 VAL CB C 13 36.726 0.053 . 1 . . . . 117 Val CB . 16630 1 1432 . 1 1 117 117 VAL CG1 C 13 22.575 0.098 . 2 . . . . 117 Val CG1 . 16630 1 1433 . 1 1 117 117 VAL CG2 C 13 23.140 0.062 . 2 . . . . 117 Val CG2 . 16630 1 1434 . 1 1 117 117 VAL N N 15 119.396 0.004 . 1 . . . . 117 Val N . 16630 1 1435 . 1 1 118 118 LYS H H 1 9.098 0.002 . 1 . . . . 118 Lys H . 16630 1 1436 . 1 1 118 118 LYS HA H 1 4.365 0.009 . 1 . . . . 118 Lys HA . 16630 1 1437 . 1 1 118 118 LYS HB2 H 1 1.361 0.015 . 1 . . . . 118 Lys HB2 . 16630 1 1438 . 1 1 118 118 LYS HB3 H 1 1.361 0.015 . 1 . . . . 118 Lys HB3 . 16630 1 1439 . 1 1 118 118 LYS HD2 H 1 1.407 0.003 . 1 . . . . 118 Lys HD2 . 16630 1 1440 . 1 1 118 118 LYS HD3 H 1 1.407 0.003 . 1 . . . . 118 Lys HD3 . 16630 1 1441 . 1 1 118 118 LYS HE2 H 1 2.561 0.006 . 2 . . . . 118 Lys HE2 . 16630 1 1442 . 1 1 118 118 LYS HE3 H 1 2.731 0.005 . 2 . . . . 118 Lys HE3 . 16630 1 1443 . 1 1 118 118 LYS HG2 H 1 0.811 0.002 . 2 . . . . 118 Lys HG2 . 16630 1 1444 . 1 1 118 118 LYS HG3 H 1 1.086 0.003 . 2 . . . . 118 Lys HG3 . 16630 1 1445 . 1 1 118 118 LYS C C 13 173.360 0.000 . 1 . . . . 118 Lys C . 16630 1 1446 . 1 1 118 118 LYS CA C 13 56.005 0.023 . 1 . . . . 118 Lys CA . 16630 1 1447 . 1 1 118 118 LYS CB C 13 38.906 0.069 . 1 . . . . 118 Lys CB . 16630 1 1448 . 1 1 118 118 LYS CD C 13 29.337 0.043 . 1 . . . . 118 Lys CD . 16630 1 1449 . 1 1 118 118 LYS CE C 13 42.091 0.058 . 1 . . . . 118 Lys CE . 16630 1 1450 . 1 1 118 118 LYS CG C 13 26.041 0.078 . 1 . . . . 118 Lys CG . 16630 1 1451 . 1 1 118 118 LYS N N 15 125.860 0.022 . 1 . . . . 118 Lys N . 16630 1 1452 . 1 1 119 119 ILE H H 1 8.466 0.002 . 1 . . . . 119 Ile H . 16630 1 1453 . 1 1 119 119 ILE HA H 1 5.063 0.008 . 1 . . . . 119 Ile HA . 16630 1 1454 . 1 1 119 119 ILE HB H 1 1.554 0.006 . 1 . . . . 119 Ile HB . 16630 1 1455 . 1 1 119 119 ILE HD11 H 1 0.724 0.014 . 1 . . . . 119 Ile HD11 . 16630 1 1456 . 1 1 119 119 ILE HD12 H 1 0.724 0.014 . 1 . . . . 119 Ile HD12 . 16630 1 1457 . 1 1 119 119 ILE HD13 H 1 0.724 0.014 . 1 . . . . 119 Ile HD13 . 16630 1 1458 . 1 1 119 119 ILE HG12 H 1 0.887 0.005 . 2 . . . . 119 Ile HG12 . 16630 1 1459 . 1 1 119 119 ILE HG13 H 1 1.505 0.014 . 2 . . . . 119 Ile HG13 . 16630 1 1460 . 1 1 119 119 ILE HG21 H 1 0.222 0.018 . 1 . . . . 119 Ile HG21 . 16630 1 1461 . 1 1 119 119 ILE HG22 H 1 0.222 0.018 . 1 . . . . 119 Ile HG22 . 16630 1 1462 . 1 1 119 119 ILE HG23 H 1 0.222 0.018 . 1 . . . . 119 Ile HG23 . 16630 1 1463 . 1 1 119 119 ILE C C 13 174.926 0.000 . 1 . . . . 119 Ile C . 16630 1 1464 . 1 1 119 119 ILE CA C 13 59.521 0.098 . 1 . . . . 119 Ile CA . 16630 1 1465 . 1 1 119 119 ILE CB C 13 38.301 0.123 . 1 . . . . 119 Ile CB . 16630 1 1466 . 1 1 119 119 ILE CD1 C 13 15.185 0.077 . 1 . . . . 119 Ile CD1 . 16630 1 1467 . 1 1 119 119 ILE CG1 C 13 28.806 0.113 . 1 . . . . 119 Ile CG1 . 16630 1 1468 . 1 1 119 119 ILE CG2 C 13 18.375 0.082 . 1 . . . . 119 Ile CG2 . 16630 1 1469 . 1 1 119 119 ILE N N 15 120.800 0.018 . 1 . . . . 119 Ile N . 16630 1 1470 . 1 1 120 120 TYR H H 1 9.515 0.016 . 1 . . . . 120 Tyr H . 16630 1 1471 . 1 1 120 120 TYR HA H 1 4.544 0.007 . 1 . . . . 120 Tyr HA . 16630 1 1472 . 1 1 120 120 TYR HB2 H 1 2.969 0.004 . 2 . . . . 120 Tyr HB2 . 16630 1 1473 . 1 1 120 120 TYR HB3 H 1 2.957 0.023 . 2 . . . . 120 Tyr HB3 . 16630 1 1474 . 1 1 120 120 TYR HD1 H 1 6.850 0.007 . 3 . . . . 120 Tyr HD1 . 16630 1 1475 . 1 1 120 120 TYR HD2 H 1 6.850 0.007 . 3 . . . . 120 Tyr HD2 . 16630 1 1476 . 1 1 120 120 TYR HE1 H 1 6.527 0.005 . 3 . . . . 120 Tyr HE1 . 16630 1 1477 . 1 1 120 120 TYR HE2 H 1 6.527 0.005 . 3 . . . . 120 Tyr HE2 . 16630 1 1478 . 1 1 120 120 TYR C C 13 174.931 0.000 . 1 . . . . 120 Tyr C . 16630 1 1479 . 1 1 120 120 TYR CA C 13 56.609 0.062 . 1 . . . . 120 Tyr CA . 16630 1 1480 . 1 1 120 120 TYR CB C 13 41.381 0.132 . 1 . . . . 120 Tyr CB . 16630 1 1481 . 1 1 120 120 TYR CD1 C 13 130.543 0.028 . 3 . . . . 120 Tyr CD1 . 16630 1 1482 . 1 1 120 120 TYR CD2 C 13 130.543 0.028 . 3 . . . . 120 Tyr CD2 . 16630 1 1483 . 1 1 120 120 TYR CE1 C 13 114.897 0.006 . 3 . . . . 120 Tyr CE1 . 16630 1 1484 . 1 1 120 120 TYR CE2 C 13 114.897 0.006 . 3 . . . . 120 Tyr CE2 . 16630 1 1485 . 1 1 120 120 TYR N N 15 126.616 0.011 . 1 . . . . 120 Tyr N . 16630 1 1486 . 1 1 121 121 SER H H 1 8.657 0.002 . 1 . . . . 121 Ser H . 16630 1 1487 . 1 1 121 121 SER HA H 1 4.661 0.011 . 1 . . . . 121 Ser HA . 16630 1 1488 . 1 1 121 121 SER HB2 H 1 3.967 0.011 . 1 . . . . 121 Ser HB2 . 16630 1 1489 . 1 1 121 121 SER HB3 H 1 3.967 0.011 . 1 . . . . 121 Ser HB3 . 16630 1 1490 . 1 1 121 121 SER C C 13 176.489 0.000 . 1 . . . . 121 Ser C . 16630 1 1491 . 1 1 121 121 SER CA C 13 58.394 0.093 . 1 . . . . 121 Ser CA . 16630 1 1492 . 1 1 121 121 SER CB C 13 63.651 0.118 . 1 . . . . 121 Ser CB . 16630 1 1493 . 1 1 121 121 SER N N 15 117.533 0.031 . 1 . . . . 121 Ser N . 16630 1 1494 . 1 1 122 122 GLY H H 1 8.500 0.002 . 1 . . . . 122 Gly H . 16630 1 1495 . 1 1 122 122 GLY HA2 H 1 4.101 0.007 . 2 . . . . 122 Gly HA2 . 16630 1 1496 . 1 1 122 122 GLY HA3 H 1 4.095 0.015 . 2 . . . . 122 Gly HA3 . 16630 1 1497 . 1 1 122 122 GLY C C 13 172.272 0.000 . 1 . . . . 122 Gly C . 16630 1 1498 . 1 1 122 122 GLY CA C 13 45.379 0.108 . 1 . . . . 122 Gly CA . 16630 1 1499 . 1 1 122 122 GLY N N 15 113.138 0.032 . 1 . . . . 122 Gly N . 16630 1 1500 . 1 1 123 123 LYS H H 1 8.398 0.002 . 1 . . . . 123 Lys H . 16630 1 1501 . 1 1 123 123 LYS HA H 1 3.897 0.009 . 1 . . . . 123 Lys HA . 16630 1 1502 . 1 1 123 123 LYS HB2 H 1 1.121 0.011 . 2 . . . . 123 Lys HB2 . 16630 1 1503 . 1 1 123 123 LYS HB3 H 1 1.654 0.006 . 2 . . . . 123 Lys HB3 . 16630 1 1504 . 1 1 123 123 LYS HD2 H 1 1.180 0.005 . 2 . . . . 123 Lys HD2 . 16630 1 1505 . 1 1 123 123 LYS HD3 H 1 1.262 0.006 . 2 . . . . 123 Lys HD3 . 16630 1 1506 . 1 1 123 123 LYS HE2 H 1 2.094 0.006 . 2 . . . . 123 Lys HE2 . 16630 1 1507 . 1 1 123 123 LYS HE3 H 1 2.284 0.009 . 2 . . . . 123 Lys HE3 . 16630 1 1508 . 1 1 123 123 LYS HG2 H 1 0.442 0.011 . 2 . . . . 123 Lys HG2 . 16630 1 1509 . 1 1 123 123 LYS HG3 H 1 0.807 0.007 . 2 . . . . 123 Lys HG3 . 16630 1 1510 . 1 1 123 123 LYS C C 13 174.786 0.000 . 1 . . . . 123 Lys C . 16630 1 1511 . 1 1 123 123 LYS CA C 13 56.046 0.104 . 1 . . . . 123 Lys CA . 16630 1 1512 . 1 1 123 123 LYS CB C 13 32.727 0.119 . 1 . . . . 123 Lys CB . 16630 1 1513 . 1 1 123 123 LYS CD C 13 28.765 0.115 . 1 . . . . 123 Lys CD . 16630 1 1514 . 1 1 123 123 LYS CE C 13 40.960 0.091 . 1 . . . . 123 Lys CE . 16630 1 1515 . 1 1 123 123 LYS CG C 13 25.451 0.069 . 1 . . . . 123 Lys CG . 16630 1 1516 . 1 1 123 123 LYS N N 15 121.654 0.009 . 1 . . . . 123 Lys N . 16630 1 1517 . 1 1 124 124 ARG H H 1 8.345 0.003 . 1 . . . . 124 Arg H . 16630 1 1518 . 1 1 124 124 ARG HA H 1 4.417 0.010 . 1 . . . . 124 Arg HA . 16630 1 1519 . 1 1 124 124 ARG HB2 H 1 1.287 0.010 . 1 . . . . 124 Arg HB2 . 16630 1 1520 . 1 1 124 124 ARG HB3 H 1 1.287 0.010 . 1 . . . . 124 Arg HB3 . 16630 1 1521 . 1 1 124 124 ARG HD2 H 1 2.617 0.009 . 2 . . . . 124 Arg HD2 . 16630 1 1522 . 1 1 124 124 ARG HD3 H 1 2.800 0.009 . 2 . . . . 124 Arg HD3 . 16630 1 1523 . 1 1 124 124 ARG HE H 1 7.229 0.003 . 1 . . . . 124 Arg HE . 16630 1 1524 . 1 1 124 124 ARG HG2 H 1 1.096 0.007 . 2 . . . . 124 Arg HG2 . 16630 1 1525 . 1 1 124 124 ARG HG3 H 1 1.248 0.007 . 2 . . . . 124 Arg HG3 . 16630 1 1526 . 1 1 124 124 ARG C C 13 172.154 0.000 . 1 . . . . 124 Arg C . 16630 1 1527 . 1 1 124 124 ARG CA C 13 53.676 0.097 . 1 . . . . 124 Arg CA . 16630 1 1528 . 1 1 124 124 ARG CB C 13 32.130 0.076 . 1 . . . . 124 Arg CB . 16630 1 1529 . 1 1 124 124 ARG CD C 13 42.632 0.094 . 1 . . . . 124 Arg CD . 16630 1 1530 . 1 1 124 124 ARG CG C 13 26.545 0.072 . 1 . . . . 124 Arg CG . 16630 1 1531 . 1 1 124 124 ARG N N 15 131.523 0.019 . 1 . . . . 124 Arg N . 16630 1 1532 . 1 1 124 124 ARG NE N 15 84.079 0.011 . 1 . . . . 124 Arg NE . 16630 1 1533 . 1 1 125 125 ARG H H 1 7.890 0.002 . 1 . . . . 125 Arg H . 16630 1 1534 . 1 1 125 125 ARG HA H 1 3.849 0.009 . 1 . . . . 125 Arg HA . 16630 1 1535 . 1 1 125 125 ARG HB2 H 1 1.487 0.009 . 2 . . . . 125 Arg HB2 . 16630 1 1536 . 1 1 125 125 ARG HB3 H 1 1.682 0.013 . 2 . . . . 125 Arg HB3 . 16630 1 1537 . 1 1 125 125 ARG HD2 H 1 3.058 0.008 . 2 . . . . 125 Arg HD2 . 16630 1 1538 . 1 1 125 125 ARG HD3 H 1 3.189 0.006 . 2 . . . . 125 Arg HD3 . 16630 1 1539 . 1 1 125 125 ARG HE H 1 7.326 0.001 . 1 . . . . 125 Arg HE . 16630 1 1540 . 1 1 125 125 ARG HG2 H 1 1.391 0.011 . 2 . . . . 125 Arg HG2 . 16630 1 1541 . 1 1 125 125 ARG HG3 H 1 1.493 0.006 . 2 . . . . 125 Arg HG3 . 16630 1 1542 . 1 1 125 125 ARG C C 13 176.304 0.000 . 1 . . . . 125 Arg C . 16630 1 1543 . 1 1 125 125 ARG CA C 13 56.388 0.106 . 1 . . . . 125 Arg CA . 16630 1 1544 . 1 1 125 125 ARG CB C 13 30.793 0.117 . 1 . . . . 125 Arg CB . 16630 1 1545 . 1 1 125 125 ARG CD C 13 43.293 0.043 . 1 . . . . 125 Arg CD . 16630 1 1546 . 1 1 125 125 ARG CG C 13 28.442 0.051 . 1 . . . . 125 Arg CG . 16630 1 1547 . 1 1 125 125 ARG N N 15 120.478 0.007 . 1 . . . . 125 Arg N . 16630 1 1548 . 1 1 125 125 ARG NE N 15 83.525 0.046 . 1 . . . . 125 Arg NE . 16630 1 1549 . 1 1 126 126 ALA H H 1 9.222 0.006 . 1 . . . . 126 Ala H . 16630 1 1550 . 1 1 126 126 ALA HA H 1 4.376 0.010 . 1 . . . . 126 Ala HA . 16630 1 1551 . 1 1 126 126 ALA HB1 H 1 1.152 0.010 . 1 . . . . 126 Ala HB1 . 16630 1 1552 . 1 1 126 126 ALA HB2 H 1 1.152 0.010 . 1 . . . . 126 Ala HB2 . 16630 1 1553 . 1 1 126 126 ALA HB3 H 1 1.152 0.010 . 1 . . . . 126 Ala HB3 . 16630 1 1554 . 1 1 126 126 ALA C C 13 176.740 0.000 . 1 . . . . 126 Ala C . 16630 1 1555 . 1 1 126 126 ALA CA C 13 52.574 0.110 . 1 . . . . 126 Ala CA . 16630 1 1556 . 1 1 126 126 ALA CB C 13 19.407 0.153 . 1 . . . . 126 Ala CB . 16630 1 1557 . 1 1 126 126 ALA N N 15 123.453 0.021 . 1 . . . . 126 Ala N . 16630 1 1558 . 1 1 127 127 ASP H H 1 6.948 0.012 . 1 . . . . 127 Asp H . 16630 1 1559 . 1 1 127 127 ASP HA H 1 3.695 0.008 . 1 . . . . 127 Asp HA . 16630 1 1560 . 1 1 127 127 ASP HB2 H 1 2.724 0.024 . 2 . . . . 127 Asp HB2 . 16630 1 1561 . 1 1 127 127 ASP HB3 H 1 2.772 0.015 . 2 . . . . 127 Asp HB3 . 16630 1 1562 . 1 1 127 127 ASP C C 13 174.238 0.000 . 1 . . . . 127 Asp C . 16630 1 1563 . 1 1 127 127 ASP CA C 13 52.094 0.129 . 1 . . . . 127 Asp CA . 16630 1 1564 . 1 1 127 127 ASP CB C 13 40.958 0.093 . 1 . . . . 127 Asp CB . 16630 1 1565 . 1 1 127 127 ASP N N 15 121.095 0.023 . 1 . . . . 127 Asp N . 16630 1 1566 . 1 1 128 128 GLN H H 1 8.176 0.003 . 1 . . . . 128 Gln H . 16630 1 1567 . 1 1 128 128 GLN HA H 1 3.681 0.008 . 1 . . . . 128 Gln HA . 16630 1 1568 . 1 1 128 128 GLN HB2 H 1 1.785 0.016 . 2 . . . . 128 Gln HB2 . 16630 1 1569 . 1 1 128 128 GLN HB3 H 1 2.077 0.010 . 2 . . . . 128 Gln HB3 . 16630 1 1570 . 1 1 128 128 GLN HE21 H 1 7.152 0.000 . 1 . . . . 128 Gln HE21 . 16630 1 1571 . 1 1 128 128 GLN HE22 H 1 8.204 0.000 . 1 . . . . 128 Gln HE22 . 16630 1 1572 . 1 1 128 128 GLN HG2 H 1 2.342 0.006 . 2 . . . . 128 Gln HG2 . 16630 1 1573 . 1 1 128 128 GLN HG3 H 1 2.445 0.011 . 2 . . . . 128 Gln HG3 . 16630 1 1574 . 1 1 128 128 GLN C C 13 177.050 0.000 . 1 . . . . 128 Gln C . 16630 1 1575 . 1 1 128 128 GLN CA C 13 59.632 0.099 . 1 . . . . 128 Gln CA . 16630 1 1576 . 1 1 128 128 GLN CB C 13 27.799 0.146 . 1 . . . . 128 Gln CB . 16630 1 1577 . 1 1 128 128 GLN CG C 13 33.208 0.148 . 1 . . . . 128 Gln CG . 16630 1 1578 . 1 1 128 128 GLN N N 15 119.024 0.046 . 1 . . . . 128 Gln N . 16630 1 1579 . 1 1 128 128 GLN NE2 N 15 109.204 0.012 . 1 . . . . 128 Gln NE2 . 16630 1 1580 . 1 1 129 129 GLY H H 1 7.921 0.005 . 1 . . . . 129 Gly H . 16630 1 1581 . 1 1 129 129 GLY HA2 H 1 3.794 0.016 . 2 . . . . 129 Gly HA2 . 16630 1 1582 . 1 1 129 129 GLY HA3 H 1 3.816 0.003 . 2 . . . . 129 Gly HA3 . 16630 1 1583 . 1 1 129 129 GLY C C 13 176.592 0.000 . 1 . . . . 129 Gly C . 16630 1 1584 . 1 1 129 129 GLY CA C 13 46.971 0.069 . 1 . . . . 129 Gly CA . 16630 1 1585 . 1 1 129 129 GLY N N 15 107.101 0.006 . 1 . . . . 129 Gly N . 16630 1 1586 . 1 1 130 130 MET H H 1 8.174 0.002 . 1 . . . . 130 Met H . 16630 1 1587 . 1 1 130 130 MET HA H 1 3.751 0.006 . 1 . . . . 130 Met HA . 16630 1 1588 . 1 1 130 130 MET HB2 H 1 1.638 0.011 . 2 . . . . 130 Met HB2 . 16630 1 1589 . 1 1 130 130 MET HB3 H 1 2.193 0.009 . 2 . . . . 130 Met HB3 . 16630 1 1590 . 1 1 130 130 MET HE1 H 1 1.390 0.003 . 1 . . . . 130 Met HE1 . 16630 1 1591 . 1 1 130 130 MET HE2 H 1 1.390 0.003 . 1 . . . . 130 Met HE2 . 16630 1 1592 . 1 1 130 130 MET HE3 H 1 1.390 0.003 . 1 . . . . 130 Met HE3 . 16630 1 1593 . 1 1 130 130 MET HG2 H 1 2.185 0.002 . 1 . . . . 130 Met HG2 . 16630 1 1594 . 1 1 130 130 MET HG3 H 1 2.185 0.002 . 1 . . . . 130 Met HG3 . 16630 1 1595 . 1 1 130 130 MET C C 13 177.642 0.000 . 1 . . . . 130 Met C . 16630 1 1596 . 1 1 130 130 MET CA C 13 59.450 0.092 . 1 . . . . 130 Met CA . 16630 1 1597 . 1 1 130 130 MET CB C 13 34.826 0.100 . 1 . . . . 130 Met CB . 16630 1 1598 . 1 1 130 130 MET CE C 13 16.395 0.107 . 1 . . . . 130 Met CE . 16630 1 1599 . 1 1 130 130 MET CG C 13 31.834 0.073 . 1 . . . . 130 Met CG . 16630 1 1600 . 1 1 130 130 MET N N 15 124.439 0.020 . 1 . . . . 130 Met N . 16630 1 1601 . 1 1 131 131 TYR H H 1 8.059 0.015 . 1 . . . . 131 Tyr H . 16630 1 1602 . 1 1 131 131 TYR HA H 1 3.844 0.013 . 1 . . . . 131 Tyr HA . 16630 1 1603 . 1 1 131 131 TYR HB2 H 1 3.054 0.030 . 2 . . . . 131 Tyr HB2 . 16630 1 1604 . 1 1 131 131 TYR HB3 H 1 3.187 0.014 . 2 . . . . 131 Tyr HB3 . 16630 1 1605 . 1 1 131 131 TYR HD1 H 1 7.036 0.053 . 3 . . . . 131 Tyr HD1 . 16630 1 1606 . 1 1 131 131 TYR HD2 H 1 7.036 0.053 . 3 . . . . 131 Tyr HD2 . 16630 1 1607 . 1 1 131 131 TYR HE1 H 1 6.473 0.004 . 3 . . . . 131 Tyr HE1 . 16630 1 1608 . 1 1 131 131 TYR HE2 H 1 6.473 0.004 . 3 . . . . 131 Tyr HE2 . 16630 1 1609 . 1 1 131 131 TYR C C 13 175.834 0.000 . 1 . . . . 131 Tyr C . 16630 1 1610 . 1 1 131 131 TYR CA C 13 62.391 0.063 . 1 . . . . 131 Tyr CA . 16630 1 1611 . 1 1 131 131 TYR CB C 13 37.776 0.080 . 1 . . . . 131 Tyr CB . 16630 1 1612 . 1 1 131 131 TYR CD1 C 13 130.045 0.119 . 3 . . . . 131 Tyr CD1 . 16630 1 1613 . 1 1 131 131 TYR CD2 C 13 130.045 0.119 . 3 . . . . 131 Tyr CD2 . 16630 1 1614 . 1 1 131 131 TYR CE1 C 13 115.454 0.045 . 3 . . . . 131 Tyr CE1 . 16630 1 1615 . 1 1 131 131 TYR CE2 C 13 115.454 0.045 . 3 . . . . 131 Tyr CE2 . 16630 1 1616 . 1 1 131 131 TYR N N 15 117.018 0.016 . 1 . . . . 131 Tyr N . 16630 1 1617 . 1 1 132 132 GLU H H 1 8.800 0.005 . 1 . . . . 132 Glu H . 16630 1 1618 . 1 1 132 132 GLU HA H 1 3.442 0.011 . 1 . . . . 132 Glu HA . 16630 1 1619 . 1 1 132 132 GLU HB2 H 1 2.178 0.000 . 2 . . . . 132 Glu HB2 . 16630 1 1620 . 1 1 132 132 GLU HB3 H 1 2.180 0.004 . 2 . . . . 132 Glu HB3 . 16630 1 1621 . 1 1 132 132 GLU HG2 H 1 2.404 0.005 . 2 . . . . 132 Glu HG2 . 16630 1 1622 . 1 1 132 132 GLU HG3 H 1 2.905 0.006 . 2 . . . . 132 Glu HG3 . 16630 1 1623 . 1 1 132 132 GLU C C 13 178.306 0.000 . 1 . . . . 132 Glu C . 16630 1 1624 . 1 1 132 132 GLU CA C 13 59.968 0.135 . 1 . . . . 132 Glu CA . 16630 1 1625 . 1 1 132 132 GLU CB C 13 28.825 0.000 . 1 . . . . 132 Glu CB . 16630 1 1626 . 1 1 132 132 GLU CG C 13 35.949 0.027 . 1 . . . . 132 Glu CG . 16630 1 1627 . 1 1 132 132 GLU N N 15 118.385 0.005 . 1 . . . . 132 Glu N . 16630 1 1628 . 1 1 133 133 ASP H H 1 7.977 0.004 . 1 . . . . 133 Asp H . 16630 1 1629 . 1 1 133 133 ASP HA H 1 4.215 0.001 . 1 . . . . 133 Asp HA . 16630 1 1630 . 1 1 133 133 ASP HB2 H 1 2.838 0.009 . 2 . . . . 133 Asp HB2 . 16630 1 1631 . 1 1 133 133 ASP HB3 H 1 2.845 0.003 . 2 . . . . 133 Asp HB3 . 16630 1 1632 . 1 1 133 133 ASP C C 13 178.138 0.000 . 1 . . . . 133 Asp C . 16630 1 1633 . 1 1 133 133 ASP CA C 13 57.406 0.065 . 1 . . . . 133 Asp CA . 16630 1 1634 . 1 1 133 133 ASP CB C 13 42.511 0.000 . 1 . . . . 133 Asp CB . 16630 1 1635 . 1 1 133 133 ASP N N 15 119.095 0.008 . 1 . . . . 133 Asp N . 16630 1 1636 . 1 1 134 134 LEU H H 1 7.660 0.002 . 1 . . . . 134 Leu H . 16630 1 1637 . 1 1 134 134 LEU HA H 1 4.013 0.029 . 1 . . . . 134 Leu HA . 16630 1 1638 . 1 1 134 134 LEU HB2 H 1 1.073 0.007 . 2 . . . . 134 Leu HB2 . 16630 1 1639 . 1 1 134 134 LEU HB3 H 1 1.725 0.013 . 2 . . . . 134 Leu HB3 . 16630 1 1640 . 1 1 134 134 LEU HD11 H 1 0.685 0.004 . 2 . . . . 134 Leu HD11 . 16630 1 1641 . 1 1 134 134 LEU HD12 H 1 0.685 0.004 . 2 . . . . 134 Leu HD12 . 16630 1 1642 . 1 1 134 134 LEU HD13 H 1 0.685 0.004 . 2 . . . . 134 Leu HD13 . 16630 1 1643 . 1 1 134 134 LEU HD21 H 1 0.716 0.014 . 2 . . . . 134 Leu HD21 . 16630 1 1644 . 1 1 134 134 LEU HD22 H 1 0.716 0.014 . 2 . . . . 134 Leu HD22 . 16630 1 1645 . 1 1 134 134 LEU HD23 H 1 0.716 0.014 . 2 . . . . 134 Leu HD23 . 16630 1 1646 . 1 1 134 134 LEU HG H 1 2.128 0.006 . 1 . . . . 134 Leu HG . 16630 1 1647 . 1 1 134 134 LEU C C 13 179.011 0.000 . 1 . . . . 134 Leu C . 16630 1 1648 . 1 1 134 134 LEU CA C 13 56.426 0.111 . 1 . . . . 134 Leu CA . 16630 1 1649 . 1 1 134 134 LEU CB C 13 43.373 0.116 . 1 . . . . 134 Leu CB . 16630 1 1650 . 1 1 134 134 LEU CD1 C 13 24.620 0.094 . 2 . . . . 134 Leu CD1 . 16630 1 1651 . 1 1 134 134 LEU CD2 C 13 27.156 0.158 . 2 . . . . 134 Leu CD2 . 16630 1 1652 . 1 1 134 134 LEU CG C 13 27.037 0.127 . 1 . . . . 134 Leu CG . 16630 1 1653 . 1 1 134 134 LEU N N 15 115.473 0.012 . 1 . . . . 134 Leu N . 16630 1 1654 . 1 1 135 135 TYR H H 1 9.018 0.005 . 1 . . . . 135 Tyr H . 16630 1 1655 . 1 1 135 135 TYR HA H 1 3.503 0.026 . 1 . . . . 135 Tyr HA . 16630 1 1656 . 1 1 135 135 TYR HB2 H 1 1.703 0.035 . 2 . . . . 135 Tyr HB2 . 16630 1 1657 . 1 1 135 135 TYR HB3 H 1 2.126 0.012 . 2 . . . . 135 Tyr HB3 . 16630 1 1658 . 1 1 135 135 TYR HD1 H 1 5.773 0.012 . 3 . . . . 135 Tyr HD1 . 16630 1 1659 . 1 1 135 135 TYR HD2 H 1 5.773 0.012 . 3 . . . . 135 Tyr HD2 . 16630 1 1660 . 1 1 135 135 TYR HE1 H 1 6.355 0.005 . 3 . . . . 135 Tyr HE1 . 16630 1 1661 . 1 1 135 135 TYR HE2 H 1 6.355 0.005 . 3 . . . . 135 Tyr HE2 . 16630 1 1662 . 1 1 135 135 TYR C C 13 174.723 0.000 . 1 . . . . 135 Tyr C . 16630 1 1663 . 1 1 135 135 TYR CA C 13 61.989 0.216 . 1 . . . . 135 Tyr CA . 16630 1 1664 . 1 1 135 135 TYR CB C 13 39.185 0.050 . 1 . . . . 135 Tyr CB . 16630 1 1665 . 1 1 135 135 TYR CD1 C 13 129.438 0.038 . 3 . . . . 135 Tyr CD1 . 16630 1 1666 . 1 1 135 135 TYR CD2 C 13 129.438 0.038 . 3 . . . . 135 Tyr CD2 . 16630 1 1667 . 1 1 135 135 TYR CE1 C 13 114.972 0.029 . 3 . . . . 135 Tyr CE1 . 16630 1 1668 . 1 1 135 135 TYR CE2 C 13 114.972 0.029 . 3 . . . . 135 Tyr CE2 . 16630 1 1669 . 1 1 135 135 TYR N N 15 120.960 0.012 . 1 . . . . 135 Tyr N . 16630 1 1670 . 1 1 136 136 TYR H H 1 7.922 0.003 . 1 . . . . 136 Tyr H . 16630 1 1671 . 1 1 136 136 TYR HA H 1 4.277 0.015 . 1 . . . . 136 Tyr HA . 16630 1 1672 . 1 1 136 136 TYR HB2 H 1 2.833 0.011 . 2 . . . . 136 Tyr HB2 . 16630 1 1673 . 1 1 136 136 TYR HB3 H 1 3.227 0.027 . 2 . . . . 136 Tyr HB3 . 16630 1 1674 . 1 1 136 136 TYR HD1 H 1 7.301 0.004 . 3 . . . . 136 Tyr HD1 . 16630 1 1675 . 1 1 136 136 TYR HD2 H 1 7.301 0.004 . 3 . . . . 136 Tyr HD2 . 16630 1 1676 . 1 1 136 136 TYR HE1 H 1 6.762 0.004 . 3 . . . . 136 Tyr HE1 . 16630 1 1677 . 1 1 136 136 TYR HE2 H 1 6.762 0.004 . 3 . . . . 136 Tyr HE2 . 16630 1 1678 . 1 1 136 136 TYR C C 13 175.691 0.000 . 1 . . . . 136 Tyr C . 16630 1 1679 . 1 1 136 136 TYR CA C 13 58.091 0.077 . 1 . . . . 136 Tyr CA . 16630 1 1680 . 1 1 136 136 TYR CB C 13 36.208 0.085 . 1 . . . . 136 Tyr CB . 16630 1 1681 . 1 1 136 136 TYR CD1 C 13 130.216 0.093 . 3 . . . . 136 Tyr CD1 . 16630 1 1682 . 1 1 136 136 TYR CD2 C 13 130.216 0.093 . 3 . . . . 136 Tyr CD2 . 16630 1 1683 . 1 1 136 136 TYR CE1 C 13 114.989 0.045 . 3 . . . . 136 Tyr CE1 . 16630 1 1684 . 1 1 136 136 TYR CE2 C 13 114.989 0.045 . 3 . . . . 136 Tyr CE2 . 16630 1 1685 . 1 1 136 136 TYR N N 15 111.831 0.004 . 1 . . . . 136 Tyr N . 16630 1 1686 . 1 1 137 137 GLY H H 1 6.628 0.003 . 1 . . . . 137 Gly H . 16630 1 1687 . 1 1 137 137 GLY HA2 H 1 3.440 0.012 . 2 . . . . 137 Gly HA2 . 16630 1 1688 . 1 1 137 137 GLY HA3 H 1 4.199 0.005 . 2 . . . . 137 Gly HA3 . 16630 1 1689 . 1 1 137 137 GLY C C 13 172.538 0.000 . 1 . . . . 137 Gly C . 16630 1 1690 . 1 1 137 137 GLY CA C 13 46.376 0.093 . 1 . . . . 137 Gly CA . 16630 1 1691 . 1 1 137 137 GLY N N 15 107.706 0.009 . 1 . . . . 137 Gly N . 16630 1 1692 . 1 1 138 138 ASN H H 1 8.570 0.006 . 1 . . . . 138 Asn H . 16630 1 1693 . 1 1 138 138 ASN HA H 1 4.650 0.033 . 1 . . . . 138 Asn HA . 16630 1 1694 . 1 1 138 138 ASN HB2 H 1 2.536 0.017 . 2 . . . . 138 Asn HB2 . 16630 1 1695 . 1 1 138 138 ASN HB3 H 1 2.631 0.031 . 2 . . . . 138 Asn HB3 . 16630 1 1696 . 1 1 138 138 ASN HD21 H 1 6.694 0.002 . 1 . . . . 138 Asn HD21 . 16630 1 1697 . 1 1 138 138 ASN HD22 H 1 7.434 0.001 . 1 . . . . 138 Asn HD22 . 16630 1 1698 . 1 1 138 138 ASN CA C 13 52.182 0.072 . 1 . . . . 138 Asn CA . 16630 1 1699 . 1 1 138 138 ASN CB C 13 38.412 0.127 . 1 . . . . 138 Asn CB . 16630 1 1700 . 1 1 138 138 ASN N N 15 121.287 0.028 . 1 . . . . 138 Asn N . 16630 1 1701 . 1 1 138 138 ASN ND2 N 15 112.093 0.016 . 1 . . . . 138 Asn ND2 . 16630 1 1702 . 1 1 139 139 PRO HA H 1 4.059 0.006 . 1 . . . . 139 Pro HA . 16630 1 1703 . 1 1 139 139 PRO HB2 H 1 1.745 0.013 . 2 . . . . 139 Pro HB2 . 16630 1 1704 . 1 1 139 139 PRO HB3 H 1 2.046 0.013 . 2 . . . . 139 Pro HB3 . 16630 1 1705 . 1 1 139 139 PRO HD2 H 1 2.811 0.005 . 2 . . . . 139 Pro HD2 . 16630 1 1706 . 1 1 139 139 PRO HD3 H 1 3.064 0.002 . 2 . . . . 139 Pro HD3 . 16630 1 1707 . 1 1 139 139 PRO HG2 H 1 2.261 0.009 . 1 . . . . 139 Pro HG2 . 16630 1 1708 . 1 1 139 139 PRO HG3 H 1 2.261 0.009 . 1 . . . . 139 Pro HG3 . 16630 1 1709 . 1 1 139 139 PRO C C 13 175.978 0.000 . 1 . . . . 139 Pro C . 16630 1 1710 . 1 1 139 139 PRO CA C 13 62.932 0.020 . 1 . . . . 139 Pro CA . 16630 1 1711 . 1 1 139 139 PRO CB C 13 32.349 0.100 . 1 . . . . 139 Pro CB . 16630 1 1712 . 1 1 139 139 PRO CD C 13 50.335 0.130 . 1 . . . . 139 Pro CD . 16630 1 1713 . 1 1 139 139 PRO CG C 13 25.870 0.037 . 1 . . . . 139 Pro CG . 16630 1 1714 . 1 1 140 140 TYR H H 1 8.276 0.010 . 1 . . . . 140 Tyr H . 16630 1 1715 . 1 1 140 140 TYR HA H 1 4.205 0.027 . 1 . . . . 140 Tyr HA . 16630 1 1716 . 1 1 140 140 TYR HB2 H 1 2.148 0.017 . 2 . . . . 140 Tyr HB2 . 16630 1 1717 . 1 1 140 140 TYR HB3 H 1 2.163 0.002 . 2 . . . . 140 Tyr HB3 . 16630 1 1718 . 1 1 140 140 TYR HD1 H 1 5.886 0.007 . 3 . . . . 140 Tyr HD1 . 16630 1 1719 . 1 1 140 140 TYR HD2 H 1 5.886 0.007 . 3 . . . . 140 Tyr HD2 . 16630 1 1720 . 1 1 140 140 TYR HE1 H 1 6.444 0.005 . 3 . . . . 140 Tyr HE1 . 16630 1 1721 . 1 1 140 140 TYR HE2 H 1 6.444 0.005 . 3 . . . . 140 Tyr HE2 . 16630 1 1722 . 1 1 140 140 TYR C C 13 175.753 0.000 . 1 . . . . 140 Tyr C . 16630 1 1723 . 1 1 140 140 TYR CA C 13 57.713 0.079 . 1 . . . . 140 Tyr CA . 16630 1 1724 . 1 1 140 140 TYR CB C 13 39.403 0.000 . 1 . . . . 140 Tyr CB . 16630 1 1725 . 1 1 140 140 TYR CD1 C 13 129.521 0.073 . 3 . . . . 140 Tyr CD1 . 16630 1 1726 . 1 1 140 140 TYR CD2 C 13 129.521 0.073 . 3 . . . . 140 Tyr CD2 . 16630 1 1727 . 1 1 140 140 TYR CE1 C 13 114.558 0.032 . 3 . . . . 140 Tyr CE1 . 16630 1 1728 . 1 1 140 140 TYR CE2 C 13 114.558 0.032 . 3 . . . . 140 Tyr CE2 . 16630 1 1729 . 1 1 140 140 TYR N N 15 116.628 0.023 . 1 . . . . 140 Tyr N . 16630 1 1730 . 1 1 141 141 ARG H H 1 8.687 0.002 . 1 . . . . 141 Arg H . 16630 1 1731 . 1 1 141 141 ARG HA H 1 4.179 0.015 . 1 . . . . 141 Arg HA . 16630 1 1732 . 1 1 141 141 ARG HB2 H 1 1.460 0.015 . 2 . . . . 141 Arg HB2 . 16630 1 1733 . 1 1 141 141 ARG HB3 H 1 1.504 0.010 . 2 . . . . 141 Arg HB3 . 16630 1 1734 . 1 1 141 141 ARG HD2 H 1 2.875 0.010 . 2 . . . . 141 Arg HD2 . 16630 1 1735 . 1 1 141 141 ARG HD3 H 1 2.959 0.011 . 2 . . . . 141 Arg HD3 . 16630 1 1736 . 1 1 141 141 ARG HE H 1 7.122 0.002 . 1 . . . . 141 Arg HE . 16630 1 1737 . 1 1 141 141 ARG HG2 H 1 0.801 0.006 . 2 . . . . 141 Arg HG2 . 16630 1 1738 . 1 1 141 141 ARG HG3 H 1 1.106 0.007 . 2 . . . . 141 Arg HG3 . 16630 1 1739 . 1 1 141 141 ARG C C 13 178.953 0.000 . 1 . . . . 141 Arg C . 16630 1 1740 . 1 1 141 141 ARG CA C 13 55.706 0.162 . 1 . . . . 141 Arg CA . 16630 1 1741 . 1 1 141 141 ARG CB C 13 32.221 0.080 . 1 . . . . 141 Arg CB . 16630 1 1742 . 1 1 141 141 ARG CD C 13 43.148 0.102 . 1 . . . . 141 Arg CD . 16630 1 1743 . 1 1 141 141 ARG CG C 13 28.643 0.129 . 1 . . . . 141 Arg CG . 16630 1 1744 . 1 1 141 141 ARG N N 15 120.786 0.027 . 1 . . . . 141 Arg N . 16630 1 1745 . 1 1 141 141 ARG NE N 15 84.889 0.018 . 1 . . . . 141 Arg NE . 16630 1 1746 . 1 1 142 142 GLY H H 1 8.156 0.004 . 1 . . . . 142 Gly H . 16630 1 1747 . 1 1 142 142 GLY HA2 H 1 3.234 0.012 . 2 . . . . 142 Gly HA2 . 16630 1 1748 . 1 1 142 142 GLY HA3 H 1 4.565 0.016 . 2 . . . . 142 Gly HA3 . 16630 1 1749 . 1 1 142 142 GLY C C 13 173.016 0.000 . 1 . . . . 142 Gly C . 16630 1 1750 . 1 1 142 142 GLY CA C 13 47.852 0.115 . 1 . . . . 142 Gly CA . 16630 1 1751 . 1 1 142 142 GLY N N 15 110.153 0.013 . 1 . . . . 142 Gly N . 16630 1 1752 . 1 1 143 143 ASP H H 1 8.134 0.006 . 1 . . . . 143 Asp H . 16630 1 1753 . 1 1 143 143 ASP HA H 1 4.613 0.027 . 1 . . . . 143 Asp HA . 16630 1 1754 . 1 1 143 143 ASP HB2 H 1 2.294 0.011 . 2 . . . . 143 Asp HB2 . 16630 1 1755 . 1 1 143 143 ASP HB3 H 1 3.300 0.008 . 2 . . . . 143 Asp HB3 . 16630 1 1756 . 1 1 143 143 ASP C C 13 177.694 0.000 . 1 . . . . 143 Asp C . 16630 1 1757 . 1 1 143 143 ASP CA C 13 52.082 0.161 . 1 . . . . 143 Asp CA . 16630 1 1758 . 1 1 143 143 ASP CB C 13 41.512 0.125 . 1 . . . . 143 Asp CB . 16630 1 1759 . 1 1 143 143 ASP N N 15 124.047 0.015 . 1 . . . . 143 Asp N . 16630 1 1760 . 1 1 144 144 ASN H H 1 8.837 0.003 . 1 . . . . 144 Asn H . 16630 1 1761 . 1 1 144 144 ASN HA H 1 3.898 0.007 . 1 . . . . 144 Asn HA . 16630 1 1762 . 1 1 144 144 ASN HB2 H 1 3.049 0.005 . 2 . . . . 144 Asn HB2 . 16630 1 1763 . 1 1 144 144 ASN HB3 H 1 3.378 0.017 . 2 . . . . 144 Asn HB3 . 16630 1 1764 . 1 1 144 144 ASN HD21 H 1 7.522 0.011 . 1 . . . . 144 Asn HD21 . 16630 1 1765 . 1 1 144 144 ASN HD22 H 1 7.357 0.005 . 1 . . . . 144 Asn HD22 . 16630 1 1766 . 1 1 144 144 ASN C C 13 172.699 0.000 . 1 . . . . 144 Asn C . 16630 1 1767 . 1 1 144 144 ASN CA C 13 55.836 0.170 . 1 . . . . 144 Asn CA . 16630 1 1768 . 1 1 144 144 ASN CB C 13 38.379 0.075 . 1 . . . . 144 Asn CB . 16630 1 1769 . 1 1 144 144 ASN N N 15 110.780 0.015 . 1 . . . . 144 Asn N . 16630 1 1770 . 1 1 144 144 ASN ND2 N 15 115.165 0.026 . 1 . . . . 144 Asn ND2 . 16630 1 1771 . 1 1 145 145 GLY H H 1 8.287 0.002 . 1 . . . . 145 Gly H . 16630 1 1772 . 1 1 145 145 GLY HA2 H 1 3.573 0.014 . 2 . . . . 145 Gly HA2 . 16630 1 1773 . 1 1 145 145 GLY HA3 H 1 4.655 0.019 . 2 . . . . 145 Gly HA3 . 16630 1 1774 . 1 1 145 145 GLY C C 13 171.973 0.000 . 1 . . . . 145 Gly C . 16630 1 1775 . 1 1 145 145 GLY CA C 13 43.431 0.149 . 1 . . . . 145 Gly CA . 16630 1 1776 . 1 1 145 145 GLY N N 15 106.637 0.015 . 1 . . . . 145 Gly N . 16630 1 1777 . 1 1 146 146 TRP H H 1 8.492 0.003 . 1 . . . . 146 Trp H . 16630 1 1778 . 1 1 146 146 TRP HA H 1 4.962 0.008 . 1 . . . . 146 Trp HA . 16630 1 1779 . 1 1 146 146 TRP HB2 H 1 3.002 0.015 . 1 . . . . 146 Trp HB2 . 16630 1 1780 . 1 1 146 146 TRP HB3 H 1 3.002 0.015 . 1 . . . . 146 Trp HB3 . 16630 1 1781 . 1 1 146 146 TRP HD1 H 1 7.297 0.002 . 1 . . . . 146 Trp HD1 . 16630 1 1782 . 1 1 146 146 TRP HE1 H 1 10.045 0.040 . 1 . . . . 146 Trp HE1 . 16630 1 1783 . 1 1 146 146 TRP HE3 H 1 7.292 0.004 . 1 . . . . 146 Trp HE3 . 16630 1 1784 . 1 1 146 146 TRP HH2 H 1 6.813 0.011 . 1 . . . . 146 Trp HH2 . 16630 1 1785 . 1 1 146 146 TRP HZ2 H 1 7.120 0.013 . 1 . . . . 146 Trp HZ2 . 16630 1 1786 . 1 1 146 146 TRP HZ3 H 1 6.840 0.003 . 1 . . . . 146 Trp HZ3 . 16630 1 1787 . 1 1 146 146 TRP C C 13 177.563 0.000 . 1 . . . . 146 Trp C . 16630 1 1788 . 1 1 146 146 TRP CA C 13 57.286 0.141 . 1 . . . . 146 Trp CA . 16630 1 1789 . 1 1 146 146 TRP CB C 13 30.046 0.056 . 1 . . . . 146 Trp CB . 16630 1 1790 . 1 1 146 146 TRP CD1 C 13 128.990 0.014 . 1 . . . . 146 Trp CD1 . 16630 1 1791 . 1 1 146 146 TRP CE3 C 13 117.681 0.055 . 1 . . . . 146 Trp CE3 . 16630 1 1792 . 1 1 146 146 TRP CH2 C 13 121.358 0.022 . 1 . . . . 146 Trp CH2 . 16630 1 1793 . 1 1 146 146 TRP CZ2 C 13 112.198 0.020 . 1 . . . . 146 Trp CZ2 . 16630 1 1794 . 1 1 146 146 TRP CZ3 C 13 118.855 0.054 . 1 . . . . 146 Trp CZ3 . 16630 1 1795 . 1 1 146 146 TRP N N 15 120.344 0.020 . 1 . . . . 146 Trp N . 16630 1 1796 . 1 1 146 146 TRP NE1 N 15 129.820 0.017 . 1 . . . . 146 Trp NE1 . 16630 1 1797 . 1 1 147 147 HIS H H 1 9.996 0.010 . 1 . . . . 147 His H . 16630 1 1798 . 1 1 147 147 HIS HA H 1 4.938 0.011 . 1 . . . . 147 His HA . 16630 1 1799 . 1 1 147 147 HIS HB2 H 1 2.292 0.009 . 2 . . . . 147 His HB2 . 16630 1 1800 . 1 1 147 147 HIS HB3 H 1 2.617 0.021 . 2 . . . . 147 His HB3 . 16630 1 1801 . 1 1 147 147 HIS HD2 H 1 7.833 0.019 . 1 . . . . 147 His HD2 . 16630 1 1802 . 1 1 147 147 HIS HE1 H 1 8.719 0.000 . 1 . . . . 147 His HE1 . 16630 1 1803 . 1 1 147 147 HIS C C 13 172.946 0.000 . 1 . . . . 147 His C . 16630 1 1804 . 1 1 147 147 HIS CA C 13 54.882 0.000 . 1 . . . . 147 His CA . 16630 1 1805 . 1 1 147 147 HIS CB C 13 32.068 0.013 . 1 . . . . 147 His CB . 16630 1 1806 . 1 1 147 147 HIS CD2 C 13 119.593 0.089 . 1 . . . . 147 His CD2 . 16630 1 1807 . 1 1 147 147 HIS CE1 C 13 133.998 0.034 . 1 . . . . 147 His CE1 . 16630 1 1808 . 1 1 147 147 HIS N N 15 120.286 0.019 . 1 . . . . 147 His N . 16630 1 1809 . 1 1 148 148 GLU H H 1 8.827 0.007 . 1 . . . . 148 Glu H . 16630 1 1810 . 1 1 148 148 GLU HA H 1 5.831 0.010 . 1 . . . . 148 Glu HA . 16630 1 1811 . 1 1 148 148 GLU HB2 H 1 2.162 0.010 . 2 . . . . 148 Glu HB2 . 16630 1 1812 . 1 1 148 148 GLU HB3 H 1 2.223 0.023 . 2 . . . . 148 Glu HB3 . 16630 1 1813 . 1 1 148 148 GLU HG2 H 1 2.446 0.005 . 1 . . . . 148 Glu HG2 . 16630 1 1814 . 1 1 148 148 GLU HG3 H 1 2.446 0.005 . 1 . . . . 148 Glu HG3 . 16630 1 1815 . 1 1 148 148 GLU C C 13 175.391 0.000 . 1 . . . . 148 Glu C . 16630 1 1816 . 1 1 148 148 GLU CA C 13 54.715 0.102 . 1 . . . . 148 Glu CA . 16630 1 1817 . 1 1 148 148 GLU CB C 13 33.822 0.224 . 1 . . . . 148 Glu CB . 16630 1 1818 . 1 1 148 148 GLU CG C 13 35.302 0.083 . 1 . . . . 148 Glu CG . 16630 1 1819 . 1 1 148 148 GLU N N 15 120.504 0.013 . 1 . . . . 148 Glu N . 16630 1 1820 . 1 1 149 149 LYS H H 1 8.847 0.003 . 1 . . . . 149 Lys H . 16630 1 1821 . 1 1 149 149 LYS HA H 1 4.776 0.018 . 1 . . . . 149 Lys HA . 16630 1 1822 . 1 1 149 149 LYS HB2 H 1 2.103 0.016 . 1 . . . . 149 Lys HB2 . 16630 1 1823 . 1 1 149 149 LYS HB3 H 1 2.103 0.016 . 1 . . . . 149 Lys HB3 . 16630 1 1824 . 1 1 149 149 LYS HD2 H 1 1.827 0.004 . 2 . . . . 149 Lys HD2 . 16630 1 1825 . 1 1 149 149 LYS HD3 H 1 1.858 0.009 . 2 . . . . 149 Lys HD3 . 16630 1 1826 . 1 1 149 149 LYS HE2 H 1 3.090 0.007 . 1 . . . . 149 Lys HE2 . 16630 1 1827 . 1 1 149 149 LYS HE3 H 1 3.090 0.007 . 1 . . . . 149 Lys HE3 . 16630 1 1828 . 1 1 149 149 LYS HG2 H 1 1.323 0.004 . 2 . . . . 149 Lys HG2 . 16630 1 1829 . 1 1 149 149 LYS HG3 H 1 1.498 0.007 . 2 . . . . 149 Lys HG3 . 16630 1 1830 . 1 1 149 149 LYS C C 13 174.774 0.000 . 1 . . . . 149 Lys C . 16630 1 1831 . 1 1 149 149 LYS CA C 13 56.151 0.084 . 1 . . . . 149 Lys CA . 16630 1 1832 . 1 1 149 149 LYS CB C 13 36.697 0.088 . 1 . . . . 149 Lys CB . 16630 1 1833 . 1 1 149 149 LYS CD C 13 29.775 0.071 . 1 . . . . 149 Lys CD . 16630 1 1834 . 1 1 149 149 LYS CE C 13 42.187 0.038 . 1 . . . . 149 Lys CE . 16630 1 1835 . 1 1 149 149 LYS CG C 13 24.318 0.095 . 1 . . . . 149 Lys CG . 16630 1 1836 . 1 1 149 149 LYS N N 15 118.573 0.015 . 1 . . . . 149 Lys N . 16630 1 1837 . 1 1 150 150 ASN H H 1 8.988 0.002 . 1 . . . . 150 Asn H . 16630 1 1838 . 1 1 150 150 ASN HA H 1 4.871 0.007 . 1 . . . . 150 Asn HA . 16630 1 1839 . 1 1 150 150 ASN HB2 H 1 2.901 0.073 . 2 . . . . 150 Asn HB2 . 16630 1 1840 . 1 1 150 150 ASN HB3 H 1 3.083 0.012 . 2 . . . . 150 Asn HB3 . 16630 1 1841 . 1 1 150 150 ASN HD21 H 1 6.764 0.002 . 1 . . . . 150 Asn HD21 . 16630 1 1842 . 1 1 150 150 ASN HD22 H 1 7.995 0.006 . 1 . . . . 150 Asn HD22 . 16630 1 1843 . 1 1 150 150 ASN C C 13 175.967 0.000 . 1 . . . . 150 Asn C . 16630 1 1844 . 1 1 150 150 ASN CA C 13 53.543 0.101 . 1 . . . . 150 Asn CA . 16630 1 1845 . 1 1 150 150 ASN CB C 13 38.458 0.052 . 1 . . . . 150 Asn CB . 16630 1 1846 . 1 1 150 150 ASN N N 15 122.003 0.011 . 1 . . . . 150 Asn N . 16630 1 1847 . 1 1 150 150 ASN ND2 N 15 111.802 0.008 . 1 . . . . 150 Asn ND2 . 16630 1 1848 . 1 1 151 151 LEU H H 1 8.741 0.004 . 1 . . . . 151 Leu H . 16630 1 1849 . 1 1 151 151 LEU HA H 1 4.468 0.013 . 1 . . . . 151 Leu HA . 16630 1 1850 . 1 1 151 151 LEU HB2 H 1 1.671 0.009 . 2 . . . . 151 Leu HB2 . 16630 1 1851 . 1 1 151 151 LEU HB3 H 1 1.849 0.016 . 2 . . . . 151 Leu HB3 . 16630 1 1852 . 1 1 151 151 LEU HD11 H 1 0.807 0.003 . 2 . . . . 151 Leu HD11 . 16630 1 1853 . 1 1 151 151 LEU HD12 H 1 0.807 0.003 . 2 . . . . 151 Leu HD12 . 16630 1 1854 . 1 1 151 151 LEU HD13 H 1 0.807 0.003 . 2 . . . . 151 Leu HD13 . 16630 1 1855 . 1 1 151 151 LEU HD21 H 1 0.859 0.004 . 2 . . . . 151 Leu HD21 . 16630 1 1856 . 1 1 151 151 LEU HD22 H 1 0.859 0.004 . 2 . . . . 151 Leu HD22 . 16630 1 1857 . 1 1 151 151 LEU HD23 H 1 0.859 0.004 . 2 . . . . 151 Leu HD23 . 16630 1 1858 . 1 1 151 151 LEU HG H 1 1.657 0.003 . 1 . . . . 151 Leu HG . 16630 1 1859 . 1 1 151 151 LEU C C 13 178.535 0.000 . 1 . . . . 151 Leu C . 16630 1 1860 . 1 1 151 151 LEU CA C 13 55.119 0.149 . 1 . . . . 151 Leu CA . 16630 1 1861 . 1 1 151 151 LEU CB C 13 43.771 0.126 . 1 . . . . 151 Leu CB . 16630 1 1862 . 1 1 151 151 LEU CD1 C 13 26.622 0.087 . 2 . . . . 151 Leu CD1 . 16630 1 1863 . 1 1 151 151 LEU CD2 C 13 23.719 0.049 . 2 . . . . 151 Leu CD2 . 16630 1 1864 . 1 1 151 151 LEU CG C 13 26.784 0.129 . 1 . . . . 151 Leu CG . 16630 1 1865 . 1 1 151 151 LEU N N 15 123.808 0.034 . 1 . . . . 151 Leu N . 16630 1 1866 . 1 1 152 152 GLY H H 1 7.944 0.004 . 1 . . . . 152 Gly H . 16630 1 1867 . 1 1 152 152 GLY HA2 H 1 3.746 0.008 . 2 . . . . 152 Gly HA2 . 16630 1 1868 . 1 1 152 152 GLY HA3 H 1 4.270 0.007 . 2 . . . . 152 Gly HA3 . 16630 1 1869 . 1 1 152 152 GLY C C 13 172.873 0.000 . 1 . . . . 152 Gly C . 16630 1 1870 . 1 1 152 152 GLY CA C 13 44.385 0.129 . 1 . . . . 152 Gly CA . 16630 1 1871 . 1 1 152 152 GLY N N 15 106.872 0.021 . 1 . . . . 152 Gly N . 16630 1 1872 . 1 1 153 153 TYR H H 1 8.225 0.017 . 1 . . . . 153 Tyr H . 16630 1 1873 . 1 1 153 153 TYR HA H 1 3.937 0.010 . 1 . . . . 153 Tyr HA . 16630 1 1874 . 1 1 153 153 TYR HB2 H 1 3.080 0.030 . 2 . . . . 153 Tyr HB2 . 16630 1 1875 . 1 1 153 153 TYR HB3 H 1 3.126 0.019 . 2 . . . . 153 Tyr HB3 . 16630 1 1876 . 1 1 153 153 TYR HD1 H 1 6.817 0.025 . 3 . . . . 153 Tyr HD1 . 16630 1 1877 . 1 1 153 153 TYR HD2 H 1 6.817 0.025 . 3 . . . . 153 Tyr HD2 . 16630 1 1878 . 1 1 153 153 TYR HE1 H 1 6.614 0.000 . 3 . . . . 153 Tyr HE1 . 16630 1 1879 . 1 1 153 153 TYR HE2 H 1 6.614 0.000 . 3 . . . . 153 Tyr HE2 . 16630 1 1880 . 1 1 153 153 TYR C C 13 176.090 0.000 . 1 . . . . 153 Tyr C . 16630 1 1881 . 1 1 153 153 TYR CA C 13 59.462 0.132 . 1 . . . . 153 Tyr CA . 16630 1 1882 . 1 1 153 153 TYR CB C 13 34.860 0.086 . 1 . . . . 153 Tyr CB . 16630 1 1883 . 1 1 153 153 TYR CD1 C 13 130.688 0.089 . 3 . . . . 153 Tyr CD1 . 16630 1 1884 . 1 1 153 153 TYR CD2 C 13 130.688 0.089 . 3 . . . . 153 Tyr CD2 . 16630 1 1885 . 1 1 153 153 TYR CE1 C 13 126.117 0.000 . 3 . . . . 153 Tyr CE1 . 16630 1 1886 . 1 1 153 153 TYR CE2 C 13 126.117 0.000 . 3 . . . . 153 Tyr CE2 . 16630 1 1887 . 1 1 153 153 TYR N N 15 109.975 0.013 . 1 . . . . 153 Tyr N . 16630 1 1888 . 1 1 154 154 GLY H H 1 8.499 0.002 . 1 . . . . 154 Gly H . 16630 1 1889 . 1 1 154 154 GLY HA2 H 1 3.724 0.007 . 2 . . . . 154 Gly HA2 . 16630 1 1890 . 1 1 154 154 GLY HA3 H 1 4.170 0.012 . 2 . . . . 154 Gly HA3 . 16630 1 1891 . 1 1 154 154 GLY C C 13 174.864 0.000 . 1 . . . . 154 Gly C . 16630 1 1892 . 1 1 154 154 GLY CA C 13 45.631 0.133 . 1 . . . . 154 Gly CA . 16630 1 1893 . 1 1 154 154 GLY N N 15 104.993 0.010 . 1 . . . . 154 Gly N . 16630 1 1894 . 1 1 155 155 LEU H H 1 7.883 0.003 . 1 . . . . 155 Leu H . 16630 1 1895 . 1 1 155 155 LEU HA H 1 5.335 0.015 . 1 . . . . 155 Leu HA . 16630 1 1896 . 1 1 155 155 LEU HB2 H 1 1.978 0.011 . 2 . . . . 155 Leu HB2 . 16630 1 1897 . 1 1 155 155 LEU HB3 H 1 1.282 0.005 . 2 . . . . 155 Leu HB3 . 16630 1 1898 . 1 1 155 155 LEU HD11 H 1 0.931 0.009 . 2 . . . . 155 Leu HD11 . 16630 1 1899 . 1 1 155 155 LEU HD12 H 1 0.931 0.009 . 2 . . . . 155 Leu HD12 . 16630 1 1900 . 1 1 155 155 LEU HD13 H 1 0.931 0.009 . 2 . . . . 155 Leu HD13 . 16630 1 1901 . 1 1 155 155 LEU HD21 H 1 0.898 0.009 . 2 . . . . 155 Leu HD21 . 16630 1 1902 . 1 1 155 155 LEU HD22 H 1 0.898 0.009 . 2 . . . . 155 Leu HD22 . 16630 1 1903 . 1 1 155 155 LEU HD23 H 1 0.898 0.009 . 2 . . . . 155 Leu HD23 . 16630 1 1904 . 1 1 155 155 LEU HG H 1 1.746 0.004 . 1 . . . . 155 Leu HG . 16630 1 1905 . 1 1 155 155 LEU C C 13 175.912 0.000 . 1 . . . . 155 Leu C . 16630 1 1906 . 1 1 155 155 LEU CA C 13 53.662 0.098 . 1 . . . . 155 Leu CA . 16630 1 1907 . 1 1 155 155 LEU CB C 13 46.122 0.112 . 1 . . . . 155 Leu CB . 16630 1 1908 . 1 1 155 155 LEU CD1 C 13 24.389 0.101 . 2 . . . . 155 Leu CD1 . 16630 1 1909 . 1 1 155 155 LEU CD2 C 13 26.722 0.065 . 2 . . . . 155 Leu CD2 . 16630 1 1910 . 1 1 155 155 LEU CG C 13 26.746 0.060 . 1 . . . . 155 Leu CG . 16630 1 1911 . 1 1 155 155 LEU N N 15 119.916 0.035 . 1 . . . . 155 Leu N . 16630 1 1912 . 1 1 156 156 ARG H H 1 9.428 0.005 . 1 . . . . 156 Arg H . 16630 1 1913 . 1 1 156 156 ARG HA H 1 5.013 0.008 . 1 . . . . 156 Arg HA . 16630 1 1914 . 1 1 156 156 ARG HB2 H 1 1.817 0.017 . 2 . . . . 156 Arg HB2 . 16630 1 1915 . 1 1 156 156 ARG HB3 H 1 1.922 0.027 . 2 . . . . 156 Arg HB3 . 16630 1 1916 . 1 1 156 156 ARG HD2 H 1 3.174 0.007 . 1 . . . . 156 Arg HD2 . 16630 1 1917 . 1 1 156 156 ARG HD3 H 1 3.174 0.007 . 1 . . . . 156 Arg HD3 . 16630 1 1918 . 1 1 156 156 ARG HE H 1 7.288 0.002 . 1 . . . . 156 Arg HE . 16630 1 1919 . 1 1 156 156 ARG HG2 H 1 1.572 0.002 . 2 . . . . 156 Arg HG2 . 16630 1 1920 . 1 1 156 156 ARG HG3 H 1 1.624 0.013 . 2 . . . . 156 Arg HG3 . 16630 1 1921 . 1 1 156 156 ARG C C 13 173.557 0.000 . 1 . . . . 156 Arg C . 16630 1 1922 . 1 1 156 156 ARG CA C 13 54.846 0.110 . 1 . . . . 156 Arg CA . 16630 1 1923 . 1 1 156 156 ARG CB C 13 33.877 0.064 . 1 . . . . 156 Arg CB . 16630 1 1924 . 1 1 156 156 ARG CD C 13 43.469 0.104 . 1 . . . . 156 Arg CD . 16630 1 1925 . 1 1 156 156 ARG CG C 13 27.119 0.086 . 1 . . . . 156 Arg CG . 16630 1 1926 . 1 1 156 156 ARG N N 15 120.084 0.010 . 1 . . . . 156 Arg N . 16630 1 1927 . 1 1 156 156 ARG NE N 15 85.165 0.018 . 1 . . . . 156 Arg NE . 16630 1 1928 . 1 1 157 157 MET H H 1 9.031 0.005 . 1 . . . . 157 Met H . 16630 1 1929 . 1 1 157 157 MET HA H 1 5.719 0.013 . 1 . . . . 157 Met HA . 16630 1 1930 . 1 1 157 157 MET HB2 H 1 2.029 0.010 . 2 . . . . 157 Met HB2 . 16630 1 1931 . 1 1 157 157 MET HB3 H 1 2.288 0.014 . 2 . . . . 157 Met HB3 . 16630 1 1932 . 1 1 157 157 MET HG2 H 1 2.642 0.005 . 2 . . . . 157 Met HG2 . 16630 1 1933 . 1 1 157 157 MET HG3 H 1 2.715 0.004 . 2 . . . . 157 Met HG3 . 16630 1 1934 . 1 1 157 157 MET C C 13 174.972 0.000 . 1 . . . . 157 Met C . 16630 1 1935 . 1 1 157 157 MET CA C 13 53.711 0.120 . 1 . . . . 157 Met CA . 16630 1 1936 . 1 1 157 157 MET CB C 13 36.319 0.128 . 1 . . . . 157 Met CB . 16630 1 1937 . 1 1 157 157 MET CG C 13 32.084 0.039 . 1 . . . . 157 Met CG . 16630 1 1938 . 1 1 157 157 MET N N 15 120.774 0.020 . 1 . . . . 157 Met N . 16630 1 1939 . 1 1 158 158 LYS H H 1 8.739 0.006 . 1 . . . . 158 Lys H . 16630 1 1940 . 1 1 158 158 LYS HA H 1 5.663 0.010 . 1 . . . . 158 Lys HA . 16630 1 1941 . 1 1 158 158 LYS HB2 H 1 1.954 0.008 . 1 . . . . 158 Lys HB2 . 16630 1 1942 . 1 1 158 158 LYS HB3 H 1 1.954 0.008 . 1 . . . . 158 Lys HB3 . 16630 1 1943 . 1 1 158 158 LYS HD2 H 1 1.453 0.007 . 2 . . . . 158 Lys HD2 . 16630 1 1944 . 1 1 158 158 LYS HD3 H 1 1.531 0.008 . 2 . . . . 158 Lys HD3 . 16630 1 1945 . 1 1 158 158 LYS HE2 H 1 2.252 0.008 . 2 . . . . 158 Lys HE2 . 16630 1 1946 . 1 1 158 158 LYS HE3 H 1 2.555 0.008 . 2 . . . . 158 Lys HE3 . 16630 1 1947 . 1 1 158 158 LYS HG2 H 1 1.556 0.008 . 2 . . . . 158 Lys HG2 . 16630 1 1948 . 1 1 158 158 LYS HG3 H 1 1.651 0.009 . 2 . . . . 158 Lys HG3 . 16630 1 1949 . 1 1 158 158 LYS C C 13 176.351 0.000 . 1 . . . . 158 Lys C . 16630 1 1950 . 1 1 158 158 LYS CA C 13 56.417 0.101 . 1 . . . . 158 Lys CA . 16630 1 1951 . 1 1 158 158 LYS CB C 13 36.486 0.075 . 1 . . . . 158 Lys CB . 16630 1 1952 . 1 1 158 158 LYS CD C 13 29.720 0.122 . 1 . . . . 158 Lys CD . 16630 1 1953 . 1 1 158 158 LYS CE C 13 41.616 0.126 . 1 . . . . 158 Lys CE . 16630 1 1954 . 1 1 158 158 LYS CG C 13 26.037 0.077 . 1 . . . . 158 Lys CG . 16630 1 1955 . 1 1 158 158 LYS N N 15 126.041 0.012 . 1 . . . . 158 Lys N . 16630 1 1956 . 1 1 159 159 GLY H H 1 9.719 0.012 . 1 . . . . 159 Gly H . 16630 1 1957 . 1 1 159 159 GLY HA2 H 1 4.098 0.011 . 2 . . . . 159 Gly HA2 . 16630 1 1958 . 1 1 159 159 GLY HA3 H 1 5.584 0.015 . 2 . . . . 159 Gly HA3 . 16630 1 1959 . 1 1 159 159 GLY C C 13 169.313 0.000 . 1 . . . . 159 Gly C . 16630 1 1960 . 1 1 159 159 GLY CA C 13 47.898 0.093 . 1 . . . . 159 Gly CA . 16630 1 1961 . 1 1 159 159 GLY N N 15 114.689 0.018 . 1 . . . . 159 Gly N . 16630 1 1962 . 1 1 160 160 ILE H H 1 8.157 0.010 . 1 . . . . 160 Ile H . 16630 1 1963 . 1 1 160 160 ILE HA H 1 4.461 0.008 . 1 . . . . 160 Ile HA . 16630 1 1964 . 1 1 160 160 ILE HB H 1 0.070 0.015 . 1 . . . . 160 Ile HB . 16630 1 1965 . 1 1 160 160 ILE HD11 H 1 -0.147 0.009 . 1 . . . . 160 Ile HD11 . 16630 1 1966 . 1 1 160 160 ILE HD12 H 1 -0.147 0.009 . 1 . . . . 160 Ile HD12 . 16630 1 1967 . 1 1 160 160 ILE HD13 H 1 -0.147 0.009 . 1 . . . . 160 Ile HD13 . 16630 1 1968 . 1 1 160 160 ILE HG12 H 1 0.114 0.002 . 2 . . . . 160 Ile HG12 . 16630 1 1969 . 1 1 160 160 ILE HG13 H 1 1.038 0.012 . 2 . . . . 160 Ile HG13 . 16630 1 1970 . 1 1 160 160 ILE HG21 H 1 -0.114 0.009 . 1 . . . . 160 Ile HG21 . 16630 1 1971 . 1 1 160 160 ILE HG22 H 1 -0.114 0.009 . 1 . . . . 160 Ile HG22 . 16630 1 1972 . 1 1 160 160 ILE HG23 H 1 -0.114 0.009 . 1 . . . . 160 Ile HG23 . 16630 1 1973 . 1 1 160 160 ILE C C 13 170.350 0.000 . 1 . . . . 160 Ile C . 16630 1 1974 . 1 1 160 160 ILE CA C 13 58.660 0.138 . 1 . . . . 160 Ile CA . 16630 1 1975 . 1 1 160 160 ILE CB C 13 41.881 0.059 . 1 . . . . 160 Ile CB . 16630 1 1976 . 1 1 160 160 ILE CD1 C 13 13.471 0.046 . 1 . . . . 160 Ile CD1 . 16630 1 1977 . 1 1 160 160 ILE CG1 C 13 28.833 0.096 . 1 . . . . 160 Ile CG1 . 16630 1 1978 . 1 1 160 160 ILE CG2 C 13 15.312 0.137 . 1 . . . . 160 Ile CG2 . 16630 1 1979 . 1 1 160 160 ILE N N 15 118.489 0.019 . 1 . . . . 160 Ile N . 16630 1 1980 . 1 1 161 161 MET H H 1 8.537 0.009 . 1 . . . . 161 Met H . 16630 1 1981 . 1 1 161 161 MET HA H 1 5.296 0.013 . 1 . . . . 161 Met HA . 16630 1 1982 . 1 1 161 161 MET HB2 H 1 0.692 0.023 . 2 . . . . 161 Met HB2 . 16630 1 1983 . 1 1 161 161 MET HB3 H 1 1.453 0.018 . 2 . . . . 161 Met HB3 . 16630 1 1984 . 1 1 161 161 MET HE1 H 1 2.202 0.003 . 1 . . . . 161 Met HE1 . 16630 1 1985 . 1 1 161 161 MET HE2 H 1 2.202 0.003 . 1 . . . . 161 Met HE2 . 16630 1 1986 . 1 1 161 161 MET HE3 H 1 2.202 0.003 . 1 . . . . 161 Met HE3 . 16630 1 1987 . 1 1 161 161 MET HG2 H 1 2.024 0.006 . 2 . . . . 161 Met HG2 . 16630 1 1988 . 1 1 161 161 MET HG3 H 1 3.582 0.006 . 2 . . . . 161 Met HG3 . 16630 1 1989 . 1 1 161 161 MET C C 13 176.180 0.000 . 1 . . . . 161 Met C . 16630 1 1990 . 1 1 161 161 MET CA C 13 53.682 0.099 . 1 . . . . 161 Met CA . 16630 1 1991 . 1 1 161 161 MET CB C 13 36.923 0.101 . 1 . . . . 161 Met CB . 16630 1 1992 . 1 1 161 161 MET CE C 13 19.124 0.141 . 1 . . . . 161 Met CE . 16630 1 1993 . 1 1 161 161 MET CG C 13 32.236 0.064 . 1 . . . . 161 Met CG . 16630 1 1994 . 1 1 161 161 MET N N 15 125.024 0.014 . 1 . . . . 161 Met N . 16630 1 1995 . 1 1 162 162 THR H H 1 8.438 0.007 . 1 . . . . 162 Thr H . 16630 1 1996 . 1 1 162 162 THR HA H 1 4.792 0.009 . 1 . . . . 162 Thr HA . 16630 1 1997 . 1 1 162 162 THR HB H 1 4.754 0.023 . 1 . . . . 162 Thr HB . 16630 1 1998 . 1 1 162 162 THR HG21 H 1 1.246 0.009 . 1 . . . . 162 Thr HG21 . 16630 1 1999 . 1 1 162 162 THR HG22 H 1 1.246 0.009 . 1 . . . . 162 Thr HG22 . 16630 1 2000 . 1 1 162 162 THR HG23 H 1 1.246 0.009 . 1 . . . . 162 Thr HG23 . 16630 1 2001 . 1 1 162 162 THR C C 13 175.102 0.000 . 1 . . . . 162 Thr C . 16630 1 2002 . 1 1 162 162 THR CA C 13 61.424 0.199 . 1 . . . . 162 Thr CA . 16630 1 2003 . 1 1 162 162 THR CB C 13 70.231 0.119 . 1 . . . . 162 Thr CB . 16630 1 2004 . 1 1 162 162 THR N N 15 115.923 0.020 . 1 . . . . 162 Thr N . 16630 1 2005 . 1 1 163 163 SER H H 1 8.075 0.001 . 1 . . . . 163 Ser H . 16630 1 2006 . 1 1 163 163 SER HA H 1 4.557 0.008 . 1 . . . . 163 Ser HA . 16630 1 2007 . 1 1 163 163 SER HB2 H 1 3.737 0.008 . 2 . . . . 163 Ser HB2 . 16630 1 2008 . 1 1 163 163 SER HB3 H 1 4.150 0.009 . 2 . . . . 163 Ser HB3 . 16630 1 2009 . 1 1 163 163 SER C C 13 174.758 0.000 . 1 . . . . 163 Ser C . 16630 1 2010 . 1 1 163 163 SER CA C 13 59.376 0.189 . 1 . . . . 163 Ser CA . 16630 1 2011 . 1 1 163 163 SER CB C 13 65.443 0.135 . 1 . . . . 163 Ser CB . 16630 1 2012 . 1 1 163 163 SER N N 15 110.138 0.016 . 1 . . . . 163 Ser N . 16630 1 2013 . 1 1 164 164 ALA H H 1 7.046 0.003 . 1 . . . . 164 Ala H . 16630 1 2014 . 1 1 164 164 ALA HA H 1 4.282 0.008 . 1 . . . . 164 Ala HA . 16630 1 2015 . 1 1 164 164 ALA HB1 H 1 1.427 0.010 . 1 . . . . 164 Ala HB1 . 16630 1 2016 . 1 1 164 164 ALA HB2 H 1 1.427 0.010 . 1 . . . . 164 Ala HB2 . 16630 1 2017 . 1 1 164 164 ALA HB3 H 1 1.427 0.010 . 1 . . . . 164 Ala HB3 . 16630 1 2018 . 1 1 164 164 ALA C C 13 176.332 0.000 . 1 . . . . 164 Ala C . 16630 1 2019 . 1 1 164 164 ALA CA C 13 51.168 0.090 . 1 . . . . 164 Ala CA . 16630 1 2020 . 1 1 164 164 ALA CB C 13 21.376 0.033 . 1 . . . . 164 Ala CB . 16630 1 2021 . 1 1 164 164 ALA N N 15 125.170 0.017 . 1 . . . . 164 Ala N . 16630 1 2022 . 1 1 165 165 GLY H H 1 8.165 0.003 . 1 . . . . 165 Gly H . 16630 1 2023 . 1 1 165 165 GLY HA2 H 1 3.644 0.019 . 2 . . . . 165 Gly HA2 . 16630 1 2024 . 1 1 165 165 GLY HA3 H 1 4.764 0.019 . 2 . . . . 165 Gly HA3 . 16630 1 2025 . 1 1 165 165 GLY C C 13 173.097 0.000 . 1 . . . . 165 Gly C . 16630 1 2026 . 1 1 165 165 GLY CA C 13 47.063 0.115 . 1 . . . . 165 Gly CA . 16630 1 2027 . 1 1 165 165 GLY N N 15 104.228 0.051 . 1 . . . . 165 Gly N . 16630 1 2028 . 1 1 166 166 GLU H H 1 6.733 0.003 . 1 . . . . 166 Glu H . 16630 1 2029 . 1 1 166 166 GLU HA H 1 4.737 0.013 . 1 . . . . 166 Glu HA . 16630 1 2030 . 1 1 166 166 GLU HB2 H 1 2.096 0.026 . 2 . . . . 166 Glu HB2 . 16630 1 2031 . 1 1 166 166 GLU HB3 H 1 1.708 0.010 . 2 . . . . 166 Glu HB3 . 16630 1 2032 . 1 1 166 166 GLU HG2 H 1 2.017 0.002 . 2 . . . . 166 Glu HG2 . 16630 1 2033 . 1 1 166 166 GLU HG3 H 1 2.412 0.005 . 2 . . . . 166 Glu HG3 . 16630 1 2034 . 1 1 166 166 GLU C C 13 174.716 0.000 . 1 . . . . 166 Glu C . 16630 1 2035 . 1 1 166 166 GLU CA C 13 54.029 0.105 . 1 . . . . 166 Glu CA . 16630 1 2036 . 1 1 166 166 GLU CB C 13 27.700 0.138 . 1 . . . . 166 Glu CB . 16630 1 2037 . 1 1 166 166 GLU CG C 13 34.630 0.134 . 1 . . . . 166 Glu CG . 16630 1 2038 . 1 1 166 166 GLU N N 15 115.936 0.015 . 1 . . . . 166 Glu N . 16630 1 2039 . 1 1 167 167 ALA H H 1 8.567 0.005 . 1 . . . . 167 Ala H . 16630 1 2040 . 1 1 167 167 ALA HA H 1 4.056 0.008 . 1 . . . . 167 Ala HA . 16630 1 2041 . 1 1 167 167 ALA HB1 H 1 1.344 0.008 . 1 . . . . 167 Ala HB1 . 16630 1 2042 . 1 1 167 167 ALA HB2 H 1 1.344 0.008 . 1 . . . . 167 Ala HB2 . 16630 1 2043 . 1 1 167 167 ALA HB3 H 1 1.344 0.008 . 1 . . . . 167 Ala HB3 . 16630 1 2044 . 1 1 167 167 ALA C C 13 175.143 0.000 . 1 . . . . 167 Ala C . 16630 1 2045 . 1 1 167 167 ALA CA C 13 52.238 0.066 . 1 . . . . 167 Ala CA . 16630 1 2046 . 1 1 167 167 ALA CB C 13 21.166 0.158 . 1 . . . . 167 Ala CB . 16630 1 2047 . 1 1 167 167 ALA N N 15 126.627 0.021 . 1 . . . . 167 Ala N . 16630 1 2048 . 1 1 168 168 LYS H H 1 7.837 0.002 . 1 . . . . 168 Lys H . 16630 1 2049 . 1 1 168 168 LYS HA H 1 5.003 0.008 . 1 . . . . 168 Lys HA . 16630 1 2050 . 1 1 168 168 LYS HB2 H 1 0.961 0.027 . 2 . . . . 168 Lys HB2 . 16630 1 2051 . 1 1 168 168 LYS HB3 H 1 1.109 0.014 . 2 . . . . 168 Lys HB3 . 16630 1 2052 . 1 1 168 168 LYS HD2 H 1 0.689 0.008 . 2 . . . . 168 Lys HD2 . 16630 1 2053 . 1 1 168 168 LYS HD3 H 1 1.449 0.007 . 2 . . . . 168 Lys HD3 . 16630 1 2054 . 1 1 168 168 LYS HE2 H 1 2.187 0.008 . 2 . . . . 168 Lys HE2 . 16630 1 2055 . 1 1 168 168 LYS HE3 H 1 2.484 0.005 . 2 . . . . 168 Lys HE3 . 16630 1 2056 . 1 1 168 168 LYS HG2 H 1 1.445 0.003 . 1 . . . . 168 Lys HG2 . 16630 1 2057 . 1 1 168 168 LYS HG3 H 1 1.445 0.003 . 1 . . . . 168 Lys HG3 . 16630 1 2058 . 1 1 168 168 LYS C C 13 174.540 0.000 . 1 . . . . 168 Lys C . 16630 1 2059 . 1 1 168 168 LYS CA C 13 54.728 0.092 . 1 . . . . 168 Lys CA . 16630 1 2060 . 1 1 168 168 LYS CB C 13 36.206 0.083 . 1 . . . . 168 Lys CB . 16630 1 2061 . 1 1 168 168 LYS CD C 13 28.535 0.144 . 1 . . . . 168 Lys CD . 16630 1 2062 . 1 1 168 168 LYS CE C 13 40.742 0.121 . 1 . . . . 168 Lys CE . 16630 1 2063 . 1 1 168 168 LYS CG C 13 24.756 0.042 . 1 . . . . 168 Lys CG . 16630 1 2064 . 1 1 168 168 LYS N N 15 116.514 0.010 . 1 . . . . 168 Lys N . 16630 1 2065 . 1 1 169 169 MET H H 1 8.553 0.008 . 1 . . . . 169 Met H . 16630 1 2066 . 1 1 169 169 MET HA H 1 5.290 0.010 . 1 . . . . 169 Met HA . 16630 1 2067 . 1 1 169 169 MET HB2 H 1 1.952 0.016 . 2 . . . . 169 Met HB2 . 16630 1 2068 . 1 1 169 169 MET HB3 H 1 1.532 0.006 . 2 . . . . 169 Met HB3 . 16630 1 2069 . 1 1 169 169 MET HE1 H 1 2.191 0.013 . 1 . . . . 169 Met HE1 . 16630 1 2070 . 1 1 169 169 MET HE2 H 1 2.191 0.013 . 1 . . . . 169 Met HE2 . 16630 1 2071 . 1 1 169 169 MET HE3 H 1 2.191 0.013 . 1 . . . . 169 Met HE3 . 16630 1 2072 . 1 1 169 169 MET HG2 H 1 1.878 0.004 . 1 . . . . 169 Met HG2 . 16630 1 2073 . 1 1 169 169 MET HG3 H 1 1.878 0.004 . 1 . . . . 169 Met HG3 . 16630 1 2074 . 1 1 169 169 MET C C 13 172.245 0.000 . 1 . . . . 169 Met C . 16630 1 2075 . 1 1 169 169 MET CA C 13 54.380 0.127 . 1 . . . . 169 Met CA . 16630 1 2076 . 1 1 169 169 MET CB C 13 38.738 0.090 . 1 . . . . 169 Met CB . 16630 1 2077 . 1 1 169 169 MET CE C 13 19.803 0.008 . 1 . . . . 169 Met CE . 16630 1 2078 . 1 1 169 169 MET CG C 13 31.610 0.107 . 1 . . . . 169 Met CG . 16630 1 2079 . 1 1 169 169 MET N N 15 121.610 0.009 . 1 . . . . 169 Met N . 16630 1 2080 . 1 1 170 170 GLN H H 1 8.619 0.008 . 1 . . . . 170 Gln H . 16630 1 2081 . 1 1 170 170 GLN HA H 1 5.464 0.011 . 1 . . . . 170 Gln HA . 16630 1 2082 . 1 1 170 170 GLN HB2 H 1 1.865 0.014 . 1 . . . . 170 Gln HB2 . 16630 1 2083 . 1 1 170 170 GLN HB3 H 1 1.865 0.014 . 1 . . . . 170 Gln HB3 . 16630 1 2084 . 1 1 170 170 GLN HE21 H 1 6.203 0.003 . 1 . . . . 170 Gln HE21 . 16630 1 2085 . 1 1 170 170 GLN HE22 H 1 7.147 0.002 . 1 . . . . 170 Gln HE22 . 16630 1 2086 . 1 1 170 170 GLN HG2 H 1 2.088 0.004 . 2 . . . . 170 Gln HG2 . 16630 1 2087 . 1 1 170 170 GLN HG3 H 1 2.276 0.006 . 2 . . . . 170 Gln HG3 . 16630 1 2088 . 1 1 170 170 GLN C C 13 174.069 0.000 . 1 . . . . 170 Gln C . 16630 1 2089 . 1 1 170 170 GLN CA C 13 54.253 0.077 . 1 . . . . 170 Gln CA . 16630 1 2090 . 1 1 170 170 GLN CB C 13 32.041 0.107 . 1 . . . . 170 Gln CB . 16630 1 2091 . 1 1 170 170 GLN CG C 13 33.969 0.139 . 1 . . . . 170 Gln CG . 16630 1 2092 . 1 1 170 170 GLN N N 15 127.736 0.012 . 1 . . . . 170 Gln N . 16630 1 2093 . 1 1 170 170 GLN NE2 N 15 105.928 0.032 . 1 . . . . 170 Gln NE2 . 16630 1 2094 . 1 1 171 171 ILE H H 1 8.758 0.006 . 1 . . . . 171 Ile H . 16630 1 2095 . 1 1 171 171 ILE HA H 1 5.282 0.012 . 1 . . . . 171 Ile HA . 16630 1 2096 . 1 1 171 171 ILE HB H 1 1.916 0.005 . 1 . . . . 171 Ile HB . 16630 1 2097 . 1 1 171 171 ILE HD11 H 1 0.951 0.006 . 1 . . . . 171 Ile HD11 . 16630 1 2098 . 1 1 171 171 ILE HD12 H 1 0.951 0.006 . 1 . . . . 171 Ile HD12 . 16630 1 2099 . 1 1 171 171 ILE HD13 H 1 0.951 0.006 . 1 . . . . 171 Ile HD13 . 16630 1 2100 . 1 1 171 171 ILE HG12 H 1 1.134 0.009 . 2 . . . . 171 Ile HG12 . 16630 1 2101 . 1 1 171 171 ILE HG13 H 1 1.427 0.004 . 2 . . . . 171 Ile HG13 . 16630 1 2102 . 1 1 171 171 ILE HG21 H 1 1.175 0.005 . 1 . . . . 171 Ile HG21 . 16630 1 2103 . 1 1 171 171 ILE HG22 H 1 1.175 0.005 . 1 . . . . 171 Ile HG22 . 16630 1 2104 . 1 1 171 171 ILE HG23 H 1 1.175 0.005 . 1 . . . . 171 Ile HG23 . 16630 1 2105 . 1 1 171 171 ILE C C 13 174.332 0.000 . 1 . . . . 171 Ile C . 16630 1 2106 . 1 1 171 171 ILE CA C 13 59.563 0.100 . 1 . . . . 171 Ile CA . 16630 1 2107 . 1 1 171 171 ILE CB C 13 43.290 0.100 . 1 . . . . 171 Ile CB . 16630 1 2108 . 1 1 171 171 ILE CD1 C 13 14.179 0.105 . 1 . . . . 171 Ile CD1 . 16630 1 2109 . 1 1 171 171 ILE CG1 C 13 27.874 0.092 . 1 . . . . 171 Ile CG1 . 16630 1 2110 . 1 1 171 171 ILE CG2 C 13 19.343 0.058 . 1 . . . . 171 Ile CG2 . 16630 1 2111 . 1 1 171 171 ILE N N 15 123.990 0.005 . 1 . . . . 171 Ile N . 16630 1 2112 . 1 1 172 172 LYS H H 1 9.933 0.005 . 1 . . . . 172 Lys H . 16630 1 2113 . 1 1 172 172 LYS HA H 1 5.299 0.008 . 1 . . . . 172 Lys HA . 16630 1 2114 . 1 1 172 172 LYS HB2 H 1 2.046 0.014 . 1 . . . . 172 Lys HB2 . 16630 1 2115 . 1 1 172 172 LYS HB3 H 1 2.046 0.014 . 1 . . . . 172 Lys HB3 . 16630 1 2116 . 1 1 172 172 LYS HD2 H 1 1.707 0.006 . 1 . . . . 172 Lys HD2 . 16630 1 2117 . 1 1 172 172 LYS HD3 H 1 1.707 0.006 . 1 . . . . 172 Lys HD3 . 16630 1 2118 . 1 1 172 172 LYS HE2 H 1 2.914 0.003 . 1 . . . . 172 Lys HE2 . 16630 1 2119 . 1 1 172 172 LYS HE3 H 1 2.914 0.003 . 1 . . . . 172 Lys HE3 . 16630 1 2120 . 1 1 172 172 LYS HG2 H 1 1.295 0.010 . 2 . . . . 172 Lys HG2 . 16630 1 2121 . 1 1 172 172 LYS HG3 H 1 1.476 0.005 . 2 . . . . 172 Lys HG3 . 16630 1 2122 . 1 1 172 172 LYS C C 13 175.179 0.000 . 1 . . . . 172 Lys C . 16630 1 2123 . 1 1 172 172 LYS CA C 13 56.009 0.119 . 1 . . . . 172 Lys CA . 16630 1 2124 . 1 1 172 172 LYS CB C 13 35.776 0.057 . 1 . . . . 172 Lys CB . 16630 1 2125 . 1 1 172 172 LYS CD C 13 29.544 0.146 . 1 . . . . 172 Lys CD . 16630 1 2126 . 1 1 172 172 LYS CE C 13 41.499 0.120 . 1 . . . . 172 Lys CE . 16630 1 2127 . 1 1 172 172 LYS CG C 13 25.050 0.080 . 1 . . . . 172 Lys CG . 16630 1 2128 . 1 1 172 172 LYS N N 15 128.969 0.020 . 1 . . . . 172 Lys N . 16630 1 2129 . 1 1 173 173 ILE H H 1 8.772 0.004 . 1 . . . . 173 Ile H . 16630 1 2130 . 1 1 173 173 ILE HA H 1 5.306 0.015 . 1 . . . . 173 Ile HA . 16630 1 2131 . 1 1 173 173 ILE HB H 1 2.654 0.010 . 1 . . . . 173 Ile HB . 16630 1 2132 . 1 1 173 173 ILE HD11 H 1 0.917 0.010 . 1 . . . . 173 Ile HD11 . 16630 1 2133 . 1 1 173 173 ILE HD12 H 1 0.917 0.010 . 1 . . . . 173 Ile HD12 . 16630 1 2134 . 1 1 173 173 ILE HD13 H 1 0.917 0.010 . 1 . . . . 173 Ile HD13 . 16630 1 2135 . 1 1 173 173 ILE HG12 H 1 1.725 0.016 . 2 . . . . 173 Ile HG12 . 16630 1 2136 . 1 1 173 173 ILE HG13 H 1 1.788 0.022 . 2 . . . . 173 Ile HG13 . 16630 1 2137 . 1 1 173 173 ILE HG21 H 1 1.106 0.007 . 1 . . . . 173 Ile HG21 . 16630 1 2138 . 1 1 173 173 ILE HG22 H 1 1.106 0.007 . 1 . . . . 173 Ile HG22 . 16630 1 2139 . 1 1 173 173 ILE HG23 H 1 1.106 0.007 . 1 . . . . 173 Ile HG23 . 16630 1 2140 . 1 1 173 173 ILE C C 13 174.429 0.000 . 1 . . . . 173 Ile C . 16630 1 2141 . 1 1 173 173 ILE CA C 13 57.866 0.130 . 1 . . . . 173 Ile CA . 16630 1 2142 . 1 1 173 173 ILE CB C 13 37.386 0.112 . 1 . . . . 173 Ile CB . 16630 1 2143 . 1 1 173 173 ILE CD1 C 13 11.752 0.124 . 1 . . . . 173 Ile CD1 . 16630 1 2144 . 1 1 173 173 ILE CG1 C 13 26.857 0.108 . 1 . . . . 173 Ile CG1 . 16630 1 2145 . 1 1 173 173 ILE CG2 C 13 18.086 0.068 . 1 . . . . 173 Ile CG2 . 16630 1 2146 . 1 1 173 173 ILE N N 15 129.026 0.013 . 1 . . . . 173 Ile N . 16630 1 2147 . 1 1 174 174 SER H H 1 9.165 0.006 . 1 . . . . 174 Ser H . 16630 1 2148 . 1 1 174 174 SER HA H 1 4.939 0.009 . 1 . . . . 174 Ser HA . 16630 1 2149 . 1 1 174 174 SER HB2 H 1 3.615 0.009 . 2 . . . . 174 Ser HB2 . 16630 1 2150 . 1 1 174 174 SER HB3 H 1 4.055 0.014 . 2 . . . . 174 Ser HB3 . 16630 1 2151 . 1 1 174 174 SER C C 13 172.223 0.000 . 1 . . . . 174 Ser C . 16630 1 2152 . 1 1 174 174 SER CA C 13 57.042 0.149 . 1 . . . . 174 Ser CA . 16630 1 2153 . 1 1 174 174 SER CB C 13 67.332 0.175 . 1 . . . . 174 Ser CB . 16630 1 2154 . 1 1 174 174 SER N N 15 120.965 0.016 . 1 . . . . 174 Ser N . 16630 1 2155 . 1 1 175 175 ARG H H 1 7.739 0.002 . 1 . . . . 175 Arg H . 16630 1 2156 . 1 1 175 175 ARG HA H 1 4.762 0.009 . 1 . . . . 175 Arg HA . 16630 1 2157 . 1 1 175 175 ARG HB2 H 1 1.993 0.007 . 2 . . . . 175 Arg HB2 . 16630 1 2158 . 1 1 175 175 ARG HB3 H 1 1.846 0.006 . 2 . . . . 175 Arg HB3 . 16630 1 2159 . 1 1 175 175 ARG HD2 H 1 3.279 0.006 . 1 . . . . 175 Arg HD2 . 16630 1 2160 . 1 1 175 175 ARG HD3 H 1 3.279 0.006 . 1 . . . . 175 Arg HD3 . 16630 1 2161 . 1 1 175 175 ARG HE H 1 7.158 0.000 . 1 . . . . 175 Arg HE . 16630 1 2162 . 1 1 175 175 ARG HG2 H 1 1.757 0.007 . 1 . . . . 175 Arg HG2 . 16630 1 2163 . 1 1 175 175 ARG HG3 H 1 1.757 0.007 . 1 . . . . 175 Arg HG3 . 16630 1 2164 . 1 1 175 175 ARG CA C 13 57.535 0.125 . 1 . . . . 175 Arg CA . 16630 1 2165 . 1 1 175 175 ARG CB C 13 31.496 0.094 . 1 . . . . 175 Arg CB . 16630 1 2166 . 1 1 175 175 ARG CD C 13 43.648 0.103 . 1 . . . . 175 Arg CD . 16630 1 2167 . 1 1 175 175 ARG CG C 13 27.865 0.090 . 1 . . . . 175 Arg CG . 16630 1 2168 . 1 1 175 175 ARG N N 15 124.957 0.016 . 1 . . . . 175 Arg N . 16630 1 2169 . 1 1 175 175 ARG NE N 15 85.117 0.000 . 1 . . . . 175 Arg NE . 16630 1 stop_ save_