data_6620 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6620 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'NMR solution structure of murine p22HBP' 'Structure analysis' 'NMR solution structure of murine p22HBP' 6620 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'NMR structure' 6620 1 . p22HBP 6620 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . . 'Assigned chemical shifts for murine p22HBP' '13C 15N and 1H chemical shift assignments' 6620 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6620 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for murine p22HBP ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-05 _Entry.Accession_date 2005-05-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jorge Dias . S. . 6620 2 Anjos Macedo . L. . 6620 3 Gloria Ferreira . C. . 6620 4 Naomi Jeanty . . . 6620 5 Shigeru Taketani . . . 6620 6 Brian Goodfellow . J. . 6620 7 Francis Peterson . . . 6620 8 Brian Volkman . F. . 6620 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Departamento de Quimica, Universidade Nova de Lisboa, Portugal' . 6620 . . MCW . 6620 . . 'Departamento de Quimica, Universidade de Aveiro, Portugal' . 6620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 470 6620 '15N chemical shifts' 154 6620 '1H chemical shifts' 939 6620 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 4 . . 2007-01-04 2005-05-05 update author 'entry citation update' 6620 3 . . 2006-08-17 2005-05-05 update author 'entry citation update' 6620 2 . . 2006-05-09 2005-05-05 update author 'update the residue sequence' 6620 1 . . 2005-10-10 2005-05-05 original author 'original release' 6620 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6620 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16905545 _Citation.Full_citation . _Citation.Title 'The first structure from the soul/HBP family of heme binding proteins: Murine P22HBP.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 42 _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 31553 _Citation.Page_last 31561 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jorge Dias . S. . 6620 1 2 Anjos Macedo . L. . 6620 1 3 Gloria Ferreria . C. . 6620 1 4 Francis Peterson . C. . 6620 1 5 Brian Volkman . F. . 6620 1 6 Brian Goodfellow . J. . 6620 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 6620 1 p22HBP 6620 1 stop_ save_ save_reference _Citation.Sf_category citations _Citation.Sf_framecode reference _Citation.Entry_ID 6620 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16211492 _Citation.Full_citation 'Journal of Biomolecular NMR' _Citation.Title '1H, 15N and 13C Resonance Assignments of the Heme-binding Protein Murine p22HBP' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 4 _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 338 _Citation.Page_last 338 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jorge Dias . S. . 6620 2 2 Anjos Macedo . L. . 6620 2 3 Gloria Ferreria . C. . 6620 2 4 Naomi Jeanty . . . 6620 2 5 Shigeru Taketani . . . 6620 2 6 Brian Goodfellow . J. . 6620 2 7 Francis Peterson . C. . 6620 2 8 Brian Volkman . F. . 6620 2 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'NMR assignments' 6620 2 p22HBP 6620 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6620 _Assembly.ID 1 _Assembly.Name 'p22HBP monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass 21053 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6620 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 monomer 1 $p22HBP . . yes native no no 1 . . 6620 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'heme binding protein' 6620 1 stop_ loop_ _Assembly_keyword.Keyword _Assembly_keyword.Entry_ID _Assembly_keyword.Assembly_ID monomer 6620 1 p22HBP 6620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p22HBP _Entity.Sf_category entity _Entity.Sf_framecode p22HBP _Entity.Entry_ID 6620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'murine heme binding protein p22HBP' _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 ; MKQSTHHHHIHNSLFGSVET WPWQVLSTGGKEDVSYEERA CEGGKFATVEVTDKPVDEAL REAMPKIMKYVGGTNDKGVG MGMTVPVSFAVFPNEDGSLQ KKLKVWFRIPNQFQGSPPAP SDESVKIEEREGITVYSTQF GGYAKEADYVAHATQLRTTL EGTPATYQGDVYYCAGYDPP MKPYGRRNEVWLVKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; Taketani,S., Adachi,Y., Kohno,H., Ikehara,S., Tokunaga,R. and Ishii,T.: Molecular characterization of a newly identified heme-binding protein induced during differentiation of murine erythroleukemia cells: J. Biol. Chem. 273 (47), 31388-31394 (1998) ; _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 195 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 21053 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17953 . HEME-BINDING_PROTEIN_1 . . . . . 97.37 195 99.46 99.46 7.99e-133 . . . . 6620 1 2 no BMRB 7231 . p22HBP . . . . . 100.00 192 100.00 100.00 5.86e-137 . . . . 6620 1 3 no PDB 2GOV . "Solution Structure Of Murine P22hbp" . . . . . 97.37 195 99.46 99.46 8.34e-133 . . . . 6620 1 4 no PDB 2HVA . "Solution Structure Of The Haem-Binding Protein P22hbp" . . . . . 100.00 192 100.00 100.00 5.86e-137 . . . . 6620 1 5 no PDB 4A1M . "Nmr Structure Of Protoporphyrin-Ix Bound Murine P22hbp" . . . . . 97.37 195 99.46 99.46 7.99e-133 . . . . 6620 1 6 no DBJ BAA33770 . "heme-binding protein [Mus musculus]" . . . . . 100.00 190 99.47 99.47 4.17e-136 . . . . 6620 1 7 no EMBL CAJ18470 . "Hebp1 [Mus musculus]" . . . . . 100.00 190 100.00 100.00 5.28e-137 . . . . 6620 1 8 no GB AAD32096 . "heme-binding protein [Mus musculus]" . . . . . 100.00 190 100.00 100.00 5.28e-137 . . . . 6620 1 9 no GB AAH12654 . "Heme binding protein 1 [Mus musculus]" . . . . . 100.00 190 100.00 100.00 5.28e-137 . . . . 6620 1 10 no GB AAI68221 . "Hebp1 protein [Rattus norvegicus]" . . . . . 100.00 190 97.89 98.95 3.16e-135 . . . . 6620 1 11 no GB EDL10544 . "heme binding protein 1 [Mus musculus]" . . . . . 100.00 190 100.00 100.00 5.28e-137 . . . . 6620 1 12 no GB EDM01631 . "heme binding protein 1 (predicted), isoform CRA_a [Rattus norvegicus]" . . . . . 100.00 190 97.89 98.95 3.16e-135 . . . . 6620 1 13 no REF NP_001102121 . "heme-binding protein 1 [Rattus norvegicus]" . . . . . 70.00 133 97.74 99.25 5.22e-89 . . . . 6620 1 14 no REF NP_038574 . "heme-binding protein 1 [Mus musculus]" . . . . . 100.00 190 99.47 100.00 1.21e-136 . . . . 6620 1 15 no REF XP_006237591 . "PREDICTED: heme-binding protein 1 isoform X1 [Rattus norvegicus]" . . . . . 100.00 190 97.89 98.95 3.16e-135 . . . . 6620 1 16 no SP Q9R257 . "RecName: Full=Heme-binding protein 1; AltName: Full=p22HBP [Mus musculus]" . . . . . 100.00 190 99.47 100.00 1.21e-136 . . . . 6620 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'heme binding protein' 6620 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID p22HBP . 6620 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID monomer 6620 1 p22HBP 6620 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 -5 MET . 6620 1 2 -4 LYS . 6620 1 3 -3 GLN . 6620 1 4 -2 SER . 6620 1 5 -1 THR . 6620 1 6 1 HIS . 6620 1 7 2 HIS . 6620 1 8 3 HIS . 6620 1 9 4 HIS . 6620 1 10 5 ILE . 6620 1 11 6 HIS . 6620 1 12 7 ASN . 6620 1 13 8 SER . 6620 1 14 9 LEU . 6620 1 15 10 PHE . 6620 1 16 11 GLY . 6620 1 17 12 SER . 6620 1 18 13 VAL . 6620 1 19 14 GLU . 6620 1 20 15 THR . 6620 1 21 16 TRP . 6620 1 22 17 PRO . 6620 1 23 18 TRP . 6620 1 24 19 GLN . 6620 1 25 20 VAL . 6620 1 26 21 LEU . 6620 1 27 22 SER . 6620 1 28 23 THR . 6620 1 29 24 GLY . 6620 1 30 25 GLY . 6620 1 31 26 LYS . 6620 1 32 27 GLU . 6620 1 33 28 ASP . 6620 1 34 29 VAL . 6620 1 35 30 SER . 6620 1 36 31 TYR . 6620 1 37 32 GLU . 6620 1 38 33 GLU . 6620 1 39 34 ARG . 6620 1 40 35 ALA . 6620 1 41 36 CYS . 6620 1 42 37 GLU . 6620 1 43 38 GLY . 6620 1 44 39 GLY . 6620 1 45 40 LYS . 6620 1 46 41 PHE . 6620 1 47 42 ALA . 6620 1 48 43 THR . 6620 1 49 44 VAL . 6620 1 50 45 GLU . 6620 1 51 46 VAL . 6620 1 52 47 THR . 6620 1 53 48 ASP . 6620 1 54 49 LYS . 6620 1 55 50 PRO . 6620 1 56 51 VAL . 6620 1 57 52 ASP . 6620 1 58 53 GLU . 6620 1 59 54 ALA . 6620 1 60 55 LEU . 6620 1 61 56 ARG . 6620 1 62 57 GLU . 6620 1 63 58 ALA . 6620 1 64 59 MET . 6620 1 65 60 PRO . 6620 1 66 61 LYS . 6620 1 67 62 ILE . 6620 1 68 63 MET . 6620 1 69 64 LYS . 6620 1 70 65 TYR . 6620 1 71 66 VAL . 6620 1 72 67 GLY . 6620 1 73 68 GLY . 6620 1 74 69 THR . 6620 1 75 70 ASN . 6620 1 76 71 ASP . 6620 1 77 72 LYS . 6620 1 78 73 GLY . 6620 1 79 74 VAL . 6620 1 80 75 GLY . 6620 1 81 76 MET . 6620 1 82 77 GLY . 6620 1 83 78 MET . 6620 1 84 79 THR . 6620 1 85 80 VAL . 6620 1 86 81 PRO . 6620 1 87 82 VAL . 6620 1 88 83 SER . 6620 1 89 84 PHE . 6620 1 90 85 ALA . 6620 1 91 86 VAL . 6620 1 92 87 PHE . 6620 1 93 88 PRO . 6620 1 94 89 ASN . 6620 1 95 90 GLU . 6620 1 96 91 ASP . 6620 1 97 92 GLY . 6620 1 98 93 SER . 6620 1 99 94 LEU . 6620 1 100 95 GLN . 6620 1 101 96 LYS . 6620 1 102 97 LYS . 6620 1 103 98 LEU . 6620 1 104 99 LYS . 6620 1 105 100 VAL . 6620 1 106 101 TRP . 6620 1 107 102 PHE . 6620 1 108 103 ARG . 6620 1 109 104 ILE . 6620 1 110 105 PRO . 6620 1 111 106 ASN . 6620 1 112 107 GLN . 6620 1 113 108 PHE . 6620 1 114 109 GLN . 6620 1 115 110 GLY . 6620 1 116 111 SER . 6620 1 117 112 PRO . 6620 1 118 113 PRO . 6620 1 119 114 ALA . 6620 1 120 115 PRO . 6620 1 121 116 SER . 6620 1 122 117 ASP . 6620 1 123 118 GLU . 6620 1 124 119 SER . 6620 1 125 120 VAL . 6620 1 126 121 LYS . 6620 1 127 122 ILE . 6620 1 128 123 GLU . 6620 1 129 124 GLU . 6620 1 130 125 ARG . 6620 1 131 126 GLU . 6620 1 132 127 GLY . 6620 1 133 128 ILE . 6620 1 134 129 THR . 6620 1 135 130 VAL . 6620 1 136 131 TYR . 6620 1 137 132 SER . 6620 1 138 133 THR . 6620 1 139 134 GLN . 6620 1 140 135 PHE . 6620 1 141 136 GLY . 6620 1 142 137 GLY . 6620 1 143 138 TYR . 6620 1 144 139 ALA . 6620 1 145 140 LYS . 6620 1 146 141 GLU . 6620 1 147 142 ALA . 6620 1 148 143 ASP . 6620 1 149 144 TYR . 6620 1 150 145 VAL . 6620 1 151 146 ALA . 6620 1 152 147 HIS . 6620 1 153 148 ALA . 6620 1 154 149 THR . 6620 1 155 150 GLN . 6620 1 156 151 LEU . 6620 1 157 152 ARG . 6620 1 158 153 THR . 6620 1 159 154 THR . 6620 1 160 155 LEU . 6620 1 161 156 GLU . 6620 1 162 157 GLY . 6620 1 163 158 THR . 6620 1 164 159 PRO . 6620 1 165 160 ALA . 6620 1 166 161 THR . 6620 1 167 162 TYR . 6620 1 168 163 GLN . 6620 1 169 164 GLY . 6620 1 170 165 ASP . 6620 1 171 166 VAL . 6620 1 172 167 TYR . 6620 1 173 168 TYR . 6620 1 174 169 CYS . 6620 1 175 170 ALA . 6620 1 176 171 GLY . 6620 1 177 172 TYR . 6620 1 178 173 ASP . 6620 1 179 174 PRO . 6620 1 180 175 PRO . 6620 1 181 176 MET . 6620 1 182 177 LYS . 6620 1 183 178 PRO . 6620 1 184 179 TYR . 6620 1 185 180 GLY . 6620 1 186 181 ARG . 6620 1 187 182 ARG . 6620 1 188 183 ASN . 6620 1 189 184 GLU . 6620 1 190 185 VAL . 6620 1 191 186 TRP . 6620 1 192 187 LEU . 6620 1 193 188 VAL . 6620 1 194 189 LYS . 6620 1 195 190 ALA . 6620 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6620 1 . LYS 2 2 6620 1 . GLN 3 3 6620 1 . SER 4 4 6620 1 . THR 5 5 6620 1 . HIS 6 6 6620 1 . HIS 7 7 6620 1 . HIS 8 8 6620 1 . HIS 9 9 6620 1 . ILE 10 10 6620 1 . HIS 11 11 6620 1 . ASN 12 12 6620 1 . SER 13 13 6620 1 . LEU 14 14 6620 1 . PHE 15 15 6620 1 . GLY 16 16 6620 1 . SER 17 17 6620 1 . VAL 18 18 6620 1 . GLU 19 19 6620 1 . THR 20 20 6620 1 . TRP 21 21 6620 1 . PRO 22 22 6620 1 . TRP 23 23 6620 1 . GLN 24 24 6620 1 . VAL 25 25 6620 1 . LEU 26 26 6620 1 . SER 27 27 6620 1 . THR 28 28 6620 1 . GLY 29 29 6620 1 . GLY 30 30 6620 1 . LYS 31 31 6620 1 . GLU 32 32 6620 1 . ASP 33 33 6620 1 . VAL 34 34 6620 1 . SER 35 35 6620 1 . TYR 36 36 6620 1 . GLU 37 37 6620 1 . GLU 38 38 6620 1 . ARG 39 39 6620 1 . ALA 40 40 6620 1 . CYS 41 41 6620 1 . GLU 42 42 6620 1 . GLY 43 43 6620 1 . GLY 44 44 6620 1 . LYS 45 45 6620 1 . PHE 46 46 6620 1 . ALA 47 47 6620 1 . THR 48 48 6620 1 . VAL 49 49 6620 1 . GLU 50 50 6620 1 . VAL 51 51 6620 1 . THR 52 52 6620 1 . ASP 53 53 6620 1 . LYS 54 54 6620 1 . PRO 55 55 6620 1 . VAL 56 56 6620 1 . ASP 57 57 6620 1 . GLU 58 58 6620 1 . ALA 59 59 6620 1 . LEU 60 60 6620 1 . ARG 61 61 6620 1 . GLU 62 62 6620 1 . ALA 63 63 6620 1 . MET 64 64 6620 1 . PRO 65 65 6620 1 . LYS 66 66 6620 1 . ILE 67 67 6620 1 . MET 68 68 6620 1 . LYS 69 69 6620 1 . TYR 70 70 6620 1 . VAL 71 71 6620 1 . GLY 72 72 6620 1 . GLY 73 73 6620 1 . THR 74 74 6620 1 . ASN 75 75 6620 1 . ASP 76 76 6620 1 . LYS 77 77 6620 1 . GLY 78 78 6620 1 . VAL 79 79 6620 1 . GLY 80 80 6620 1 . MET 81 81 6620 1 . GLY 82 82 6620 1 . MET 83 83 6620 1 . THR 84 84 6620 1 . VAL 85 85 6620 1 . PRO 86 86 6620 1 . VAL 87 87 6620 1 . SER 88 88 6620 1 . PHE 89 89 6620 1 . ALA 90 90 6620 1 . VAL 91 91 6620 1 . PHE 92 92 6620 1 . PRO 93 93 6620 1 . ASN 94 94 6620 1 . GLU 95 95 6620 1 . ASP 96 96 6620 1 . GLY 97 97 6620 1 . SER 98 98 6620 1 . LEU 99 99 6620 1 . GLN 100 100 6620 1 . LYS 101 101 6620 1 . LYS 102 102 6620 1 . LEU 103 103 6620 1 . LYS 104 104 6620 1 . VAL 105 105 6620 1 . TRP 106 106 6620 1 . PHE 107 107 6620 1 . ARG 108 108 6620 1 . ILE 109 109 6620 1 . PRO 110 110 6620 1 . ASN 111 111 6620 1 . GLN 112 112 6620 1 . PHE 113 113 6620 1 . GLN 114 114 6620 1 . GLY 115 115 6620 1 . SER 116 116 6620 1 . PRO 117 117 6620 1 . PRO 118 118 6620 1 . ALA 119 119 6620 1 . PRO 120 120 6620 1 . SER 121 121 6620 1 . ASP 122 122 6620 1 . GLU 123 123 6620 1 . SER 124 124 6620 1 . VAL 125 125 6620 1 . LYS 126 126 6620 1 . ILE 127 127 6620 1 . GLU 128 128 6620 1 . GLU 129 129 6620 1 . ARG 130 130 6620 1 . GLU 131 131 6620 1 . GLY 132 132 6620 1 . ILE 133 133 6620 1 . THR 134 134 6620 1 . VAL 135 135 6620 1 . TYR 136 136 6620 1 . SER 137 137 6620 1 . THR 138 138 6620 1 . GLN 139 139 6620 1 . PHE 140 140 6620 1 . GLY 141 141 6620 1 . GLY 142 142 6620 1 . TYR 143 143 6620 1 . ALA 144 144 6620 1 . LYS 145 145 6620 1 . GLU 146 146 6620 1 . ALA 147 147 6620 1 . ASP 148 148 6620 1 . TYR 149 149 6620 1 . VAL 150 150 6620 1 . ALA 151 151 6620 1 . HIS 152 152 6620 1 . ALA 153 153 6620 1 . THR 154 154 6620 1 . GLN 155 155 6620 1 . LEU 156 156 6620 1 . ARG 157 157 6620 1 . THR 158 158 6620 1 . THR 159 159 6620 1 . LEU 160 160 6620 1 . GLU 161 161 6620 1 . GLY 162 162 6620 1 . THR 163 163 6620 1 . PRO 164 164 6620 1 . ALA 165 165 6620 1 . THR 166 166 6620 1 . TYR 167 167 6620 1 . GLN 168 168 6620 1 . GLY 169 169 6620 1 . ASP 170 170 6620 1 . VAL 171 171 6620 1 . TYR 172 172 6620 1 . TYR 173 173 6620 1 . CYS 174 174 6620 1 . ALA 175 175 6620 1 . GLY 176 176 6620 1 . TYR 177 177 6620 1 . ASP 178 178 6620 1 . PRO 179 179 6620 1 . PRO 180 180 6620 1 . MET 181 181 6620 1 . LYS 182 182 6620 1 . PRO 183 183 6620 1 . TYR 184 184 6620 1 . GLY 185 185 6620 1 . ARG 186 186 6620 1 . ARG 187 187 6620 1 . ASN 188 188 6620 1 . GLU 189 189 6620 1 . VAL 190 190 6620 1 . TRP 191 191 6620 1 . LEU 192 192 6620 1 . VAL 193 193 6620 1 . LYS 194 194 6620 1 . ALA 195 195 6620 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 6620 _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 $p22HBP . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus 'Mus musculus' . . . liver . . . . . . . . . . . . . . . . . 6620 1 stop_ loop_ _Natural_source_db.Entity_natural_src_ID _Natural_source_db.Entity_ID _Natural_source_db.Entity_label _Natural_source_db.Entity_chimera_segment_ID _Natural_source_db.Database_code _Natural_source_db.Database_type _Natural_source_db.Entry_code _Natural_source_db.Entry_type _Natural_source_db.ORF_code _Natural_source_db.Gene_locus_code _Natural_source_db.Gene_cDNA_code _Natural_source_db.Entry_ID _Natural_source_db.Entity_natural_src_list_ID . 1 $p22HBP . EMBL . Q9R57 . . . . 6620 1 . 1 $p22HBP . SwissProt . O88814 . . . . 6620 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 6620 _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 $p22HBP . 'recombinant technology' . 'E. coli' . . . . . . . . . . BL21 . . . . . . . . . . . . . . . . 6620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N_13C _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C _Sample.Entry_ID 6620 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer, 100mM KCl' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine heme binding protein p22HBP' '[U-15N; U-13C]' 1 $assembly 1 $p22HBP . . 1 . . mM . . . . 6620 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6620 1 3 KCL . . . . . . . 100 . . mM . . . . 6620 1 stop_ save_ save_15N_13C_2H_50% _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_2H_50% _Sample.Entry_ID 6620 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer, 100mM KCl' _Sample.Aggregate_sample_number 2 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine heme binding protein p22HBP' '[U-15N; U-13C, U-50% 2H]' 1 $assembly 1 $p22HBP . . 1 . . mM . . . . 6620 2 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6620 2 3 KCL . . . . . . . 100 . . mM . . . . 6620 2 stop_ save_ save_15N _Sample.Sf_category sample _Sample.Sf_framecode 15N _Sample.Entry_ID 6620 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer, 100mM KCl' _Sample.Aggregate_sample_number 4 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine heme binding protein p22HBP' [U-15N] 1 $assembly 1 $p22HBP . . 1 . . mM . . . . 6620 3 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6620 3 3 KCL . . . . . . . 100 . . mM . . . . 6620 3 stop_ save_ save_15N_13C_2H_100% _Sample.Sf_category sample _Sample.Sf_framecode 15N_13C_2H_100% _Sample.Entry_ID 6620 _Sample.ID 4 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM phosphate buffer, 100mM KCl' _Sample.Aggregate_sample_number 3 _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'murine heme binding protein p22HBP' '[U-15N; U-13C; U-2H]' 1 $assembly 1 $p22HBP . . 1 . . mM . . . . 6620 4 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6620 4 3 KCL . . . . . . . 100 . . mM . . . . 6620 4 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6620 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 0.05 M 6620 1 pH 8.0 0.01 pH 6620 1 temperature 303 0.1 K 6620 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrpipe _Software.Sf_category software _Software.Sf_framecode nmrpipe _Software.Entry_ID 6620 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details ; nmr data processing. F. Delaglio, S. Grzesiek, G.: J. Biomol. NMR, 6, (1995) 277-293. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'nmr data processing' 6620 1 stop_ save_ save_xeasy _Software.Sf_category software _Software.Sf_framecode xeasy _Software.Entry_ID 6620 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details ; resonance assignment. Bartels, C., Xia, T., Billeter, M., Guntert, P. & Wuthrich, K. (1995); J. Biomol. NMR,6, 1-10. ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'resonance assignment' 6620 2 stop_ save_ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 6620 _Software.ID 3 _Software.Name xwinnmr _Software.Version 3.1 _Software.Details 'nmr data acquisition and processing' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data acquisition and processing' 6620 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'with cryoprobe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX600 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600MHz save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6620 _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 1H15N HSQC' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 2 '2D 1H15N TROSY' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 3 '3D trHNCACB' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 4 '3D trHNCOCACB' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 5 '3D trHNCA' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 6 '3D trHNCOCA' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 7 '3D HCCH_TOCSY' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 8 '3D 15N HSQC-NOESY' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 9 '3D 15N HSQC-TOCSY' no . . . . . . . . . . 3 $15N . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 10 '3D 13C HSQC-NOESY' no . . . . . . . . . . 1 $15N_13C . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 11 '3D trHNCO' no . . . . . . . . . . 4 $15N_13C_2H_100% . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 12 '3D trHNCACO' no . . . . . . . . . . 4 $15N_13C_2H_100% . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6620 1 stop_ save_ save_2D_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H15N_HSQC _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_1H15N_TROSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_1H15N_TROSY _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H15N TROSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCACB _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D trHNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCOCACB _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCOCACB _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D trHNCOCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCA _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D trHNCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCOCA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCOCA _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D trHNCOCA' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N_HSQC-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N_HSQC-NOESY _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D 15N HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_15N_HSQC-TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_15N_HSQC-TOCSY _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D 15N HSQC-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_HCCH_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_HCCH_TOCSY _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D HCCH_TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_13C_HSQC-NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_13C_HSQC-NOESY _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D 13C HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCO _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '3D trHNCO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_3D_trHNCACO _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 3D_trHNCACO _NMR_spec_expt.Entry_ID 6620 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '3D trHNCACO' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 3 _NMR_spec_expt.Software_label $xwinnmr _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6620 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 'outside sample' cylindrical parallel . . . . . . 6620 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6620 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 'outside sample' cylindrical parallel . . . . . . 6620 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.15 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _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 1H15N HSQC' 1 $15N_13C isotropic 6620 1 2 '2D 1H15N TROSY' 1 $15N_13C isotropic 6620 1 3 '3D trHNCACB' 1 $15N_13C isotropic 6620 1 4 '3D trHNCOCACB' 1 $15N_13C isotropic 6620 1 5 '3D trHNCA' 1 $15N_13C isotropic 6620 1 6 '3D trHNCOCA' 1 $15N_13C isotropic 6620 1 7 '3D HCCH_TOCSY' 1 $15N_13C isotropic 6620 1 8 '3D 15N HSQC-NOESY' 1 $15N_13C isotropic 6620 1 9 '3D 15N HSQC-TOCSY' 3 $15N isotropic 6620 1 10 '3D 13C HSQC-NOESY' 1 $15N_13C isotropic 6620 1 11 '3D trHNCACO' 4 $15N_13C_2H_100% isotropic 6620 1 12 '3D trHNCO' 4 $15N_13C_2H_100% isotropic 6620 1 stop_ loop_ _Systematic_chem_shift_offset.Type _Systematic_chem_shift_offset.Atom_type _Systematic_chem_shift_offset.Atom_isotope_number _Systematic_chem_shift_offset.Val _Systematic_chem_shift_offset.Val_err _Systematic_chem_shift_offset.Entry_ID _Systematic_chem_shift_offset.Assigned_chem_shift_list_ID 'TROSY effect' N . 0.714 . 6620 1 'TROSY effect' H . -0.066 . 6620 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $nmrpipe . . 6620 1 2 $xeasy . . 6620 1 3 $xwinnmr . . 6620 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 10 10 ILE HG21 H 1 0.837 0.020 . 1 . . . . 5 ILE HG2 . 6620 1 2 . 1 1 10 10 ILE HG22 H 1 0.837 0.020 . 1 . . . . 5 ILE HG2 . 6620 1 3 . 1 1 10 10 ILE HG23 H 1 0.837 0.020 . 1 . . . . 5 ILE HG2 . 6620 1 4 . 1 1 10 10 ILE HD11 H 1 0.663 0.020 . 1 . . . . 5 ILE HD1 . 6620 1 5 . 1 1 10 10 ILE HD12 H 1 0.663 0.020 . 1 . . . . 5 ILE HD1 . 6620 1 6 . 1 1 10 10 ILE HD13 H 1 0.663 0.020 . 1 . . . . 5 ILE HD1 . 6620 1 7 . 1 1 10 10 ILE CG2 C 13 17.283 0.150 . 1 . . . . 5 ILE CG2 . 6620 1 8 . 1 1 10 10 ILE CD1 C 13 9.194 0.150 . 1 . . . . 5 ILE CD1 . 6620 1 9 . 1 1 18 18 VAL HB H 1 2.019 0.020 . 1 . . . . 13 VAL HB . 6620 1 10 . 1 1 18 18 VAL HG11 H 1 0.625 0.020 . 2 . . . . 13 VAL HG1 . 6620 1 11 . 1 1 18 18 VAL HG12 H 1 0.625 0.020 . 2 . . . . 13 VAL HG1 . 6620 1 12 . 1 1 18 18 VAL HG13 H 1 0.625 0.020 . 2 . . . . 13 VAL HG1 . 6620 1 13 . 1 1 18 18 VAL CG1 C 13 18.900 0.150 . 1 . . . . 13 VAL CG1 . 6620 1 14 . 1 1 20 20 THR HB H 1 4.152 0.020 . 1 . . . . 15 THR HB . 6620 1 15 . 1 1 20 20 THR CB C 13 70.012 0.150 . 1 . . . . 15 THR CB . 6620 1 16 . 1 1 21 21 TRP HD1 H 1 6.532 0.020 . 1 . . . . 16 TRP HD1 . 6620 1 17 . 1 1 21 21 TRP HE1 H 1 10.428 0.020 . 1 . . . . 16 TRP HE1 . 6620 1 18 . 1 1 21 21 TRP HZ2 H 1 7.399 0.020 . 1 . . . . 16 TRP HZ2 . 6620 1 19 . 1 1 21 21 TRP HH2 H 1 7.028 0.020 . 1 . . . . 16 TRP HH2 . 6620 1 20 . 1 1 21 21 TRP CD1 C 13 124.153 0.150 . 1 . . . . 16 TRP CD1 . 6620 1 21 . 1 1 21 21 TRP CZ2 C 13 113.800 0.150 . 1 . . . . 16 TRP CZ2 . 6620 1 22 . 1 1 21 21 TRP NE1 N 15 130.947 0.150 . 1 . . . . 16 TRP NE1 . 6620 1 23 . 1 1 22 22 PRO C C 13 175.650 0.150 . 1 . . . . 17 PRO C . 6620 1 24 . 1 1 23 23 TRP H H 1 8.738 0.020 . 1 . . . . 18 TRP HN . 6620 1 25 . 1 1 23 23 TRP HA H 1 5.370 0.020 . 1 . . . . 18 TRP HA . 6620 1 26 . 1 1 23 23 TRP HB2 H 1 3.401 0.020 . 2 . . . . 18 TRP HB2 . 6620 1 27 . 1 1 23 23 TRP HB3 H 1 2.643 0.020 . 2 . . . . 18 TRP HB3 . 6620 1 28 . 1 1 23 23 TRP HD1 H 1 7.899 0.020 . 1 . . . . 18 TRP HD1 . 6620 1 29 . 1 1 23 23 TRP HE1 H 1 10.757 0.020 . 1 . . . . 18 TRP HE1 . 6620 1 30 . 1 1 23 23 TRP HZ2 H 1 7.376 0.020 . 1 . . . . 18 TRP HZ2 . 6620 1 31 . 1 1 23 23 TRP HH2 H 1 7.020 0.020 . 1 . . . . 18 TRP HH2 . 6620 1 32 . 1 1 23 23 TRP C C 13 174.569 0.150 . 1 . . . . 18 TRP C . 6620 1 33 . 1 1 23 23 TRP CA C 13 55.457 0.150 . 1 . . . . 18 TRP CA . 6620 1 34 . 1 1 23 23 TRP CB C 13 31.837 0.150 . 1 . . . . 18 TRP CB . 6620 1 35 . 1 1 23 23 TRP CD1 C 13 125.188 0.150 . 1 . . . . 18 TRP CD1 . 6620 1 36 . 1 1 23 23 TRP CZ2 C 13 112.765 0.150 . 1 . . . . 18 TRP CZ2 . 6620 1 37 . 1 1 23 23 TRP N N 15 124.524 0.150 . 1 . . . . 18 TRP N . 6620 1 38 . 1 1 23 23 TRP NE1 N 15 128.634 0.150 . 1 . . . . 18 TRP NE1 . 6620 1 39 . 1 1 24 24 GLN H H 1 8.196 0.020 . 1 . . . . 19 GLN HN . 6620 1 40 . 1 1 24 24 GLN HA H 1 4.845 0.020 . 1 . . . . 19 GLN HA . 6620 1 41 . 1 1 24 24 GLN HB2 H 1 1.948 0.020 . 2 . . . . 19 GLN HB2 . 6620 1 42 . 1 1 24 24 GLN HB3 H 1 2.046 0.020 . 2 . . . . 19 GLN HB3 . 6620 1 43 . 1 1 24 24 GLN HG2 H 1 2.236 0.020 . 2 . . . . 19 GLN HG2 . 6620 1 44 . 1 1 24 24 GLN C C 13 175.542 0.150 . 1 . . . . 19 GLN C . 6620 1 45 . 1 1 24 24 GLN CA C 13 54.163 0.150 . 1 . . . . 19 GLN CA . 6620 1 46 . 1 1 24 24 GLN CB C 13 32.484 0.150 . 1 . . . . 19 GLN CB . 6620 1 47 . 1 1 24 24 GLN N N 15 117.485 0.150 . 1 . . . . 19 GLN N . 6620 1 48 . 1 1 25 25 VAL H H 1 9.252 0.020 . 1 . . . . 20 VAL HN . 6620 1 49 . 1 1 25 25 VAL HA H 1 4.148 0.020 . 1 . . . . 20 VAL HA . 6620 1 50 . 1 1 25 25 VAL HB H 1 2.062 0.020 . 1 . . . . 20 VAL HB . 6620 1 51 . 1 1 25 25 VAL C C 13 176.155 0.150 . 1 . . . . 20 VAL C . 6620 1 52 . 1 1 25 25 VAL CA C 13 63.800 0.150 . 1 . . . . 20 VAL CA . 6620 1 53 . 1 1 25 25 VAL CB C 13 31.553 0.150 . 1 . . . . 20 VAL CB . 6620 1 54 . 1 1 25 25 VAL N N 15 127.076 0.150 . 1 . . . . 20 VAL N . 6620 1 55 . 1 1 26 26 LEU H H 1 9.319 0.020 . 1 . . . . 21 LEU HN . 6620 1 56 . 1 1 26 26 LEU HA H 1 4.241 0.020 . 1 . . . . 21 LEU HA . 6620 1 57 . 1 1 26 26 LEU HB2 H 1 1.383 0.020 . 2 . . . . 21 LEU HB2 . 6620 1 58 . 1 1 26 26 LEU HB3 H 1 1.549 0.020 . 2 . . . . 21 LEU HB3 . 6620 1 59 . 1 1 26 26 LEU HG H 1 1.534 0.020 . 1 . . . . 21 LEU HG . 6620 1 60 . 1 1 26 26 LEU HD11 H 1 0.775 0.020 . 2 . . . . 21 LEU HD1 . 6620 1 61 . 1 1 26 26 LEU HD12 H 1 0.775 0.020 . 2 . . . . 21 LEU HD1 . 6620 1 62 . 1 1 26 26 LEU HD13 H 1 0.775 0.020 . 2 . . . . 21 LEU HD1 . 6620 1 63 . 1 1 26 26 LEU HD21 H 1 0.844 0.020 . 2 . . . . 21 LEU HD2 . 6620 1 64 . 1 1 26 26 LEU HD22 H 1 0.844 0.020 . 2 . . . . 21 LEU HD2 . 6620 1 65 . 1 1 26 26 LEU HD23 H 1 0.844 0.020 . 2 . . . . 21 LEU HD2 . 6620 1 66 . 1 1 26 26 LEU C C 13 177.660 0.150 . 1 . . . . 21 LEU C . 6620 1 67 . 1 1 26 26 LEU CA C 13 55.952 0.150 . 1 . . . . 21 LEU CA . 6620 1 68 . 1 1 26 26 LEU CB C 13 43.095 0.150 . 1 . . . . 21 LEU CB . 6620 1 69 . 1 1 26 26 LEU CG C 13 27.307 0.150 . 1 . . . . 21 LEU CG . 6620 1 70 . 1 1 26 26 LEU CD1 C 13 24.072 0.150 . 1 . . . . 21 LEU CD1 . 6620 1 71 . 1 1 26 26 LEU CD2 C 13 25.366 0.150 . 1 . . . . 21 LEU CD2 . 6620 1 72 . 1 1 26 26 LEU N N 15 130.410 0.150 . 1 . . . . 21 LEU N . 6620 1 73 . 1 1 27 27 SER H H 1 7.781 0.020 . 1 . . . . 22 SER HN . 6620 1 74 . 1 1 27 27 SER HA H 1 4.640 0.020 . 1 . . . . 22 SER HA . 6620 1 75 . 1 1 27 27 SER HB2 H 1 4.138 0.020 . 2 . . . . 22 SER HB2 . 6620 1 76 . 1 1 27 27 SER HB3 H 1 3.974 0.020 . 2 . . . . 22 SER HB3 . 6620 1 77 . 1 1 27 27 SER C C 13 171.855 0.150 . 1 . . . . 22 SER C . 6620 1 78 . 1 1 27 27 SER CA C 13 58.957 0.150 . 1 . . . . 22 SER CA . 6620 1 79 . 1 1 27 27 SER CB C 13 64.835 0.150 . 1 . . . . 22 SER CB . 6620 1 80 . 1 1 27 27 SER N N 15 111.192 0.150 . 1 . . . . 22 SER N . 6620 1 81 . 1 1 28 28 THR H H 1 8.159 0.020 . 1 . . . . 23 THR HN . 6620 1 82 . 1 1 28 28 THR HA H 1 4.807 0.020 . 1 . . . . 23 THR HA . 6620 1 83 . 1 1 28 28 THR HB H 1 4.229 0.020 . 1 . . . . 23 THR HB . 6620 1 84 . 1 1 28 28 THR HG21 H 1 1.159 0.020 . 1 . . . . 23 THR HG2 . 6620 1 85 . 1 1 28 28 THR HG22 H 1 1.159 0.020 . 1 . . . . 23 THR HG2 . 6620 1 86 . 1 1 28 28 THR HG23 H 1 1.159 0.020 . 1 . . . . 23 THR HG2 . 6620 1 87 . 1 1 28 28 THR C C 13 173.062 0.150 . 1 . . . . 23 THR C . 6620 1 88 . 1 1 28 28 THR CA C 13 59.993 0.150 . 1 . . . . 23 THR CA . 6620 1 89 . 1 1 28 28 THR CB C 13 72.276 0.150 . 1 . . . . 23 THR CB . 6620 1 90 . 1 1 28 28 THR CG2 C 13 20.195 0.150 . 1 . . . . 23 THR CG2 . 6620 1 91 . 1 1 28 28 THR N N 15 110.807 0.150 . 1 . . . . 23 THR N . 6620 1 92 . 1 1 29 29 GLY H H 1 7.185 0.020 . 1 . . . . 24 GLY HN . 6620 1 93 . 1 1 29 29 GLY HA2 H 1 4.088 0.020 . 2 . . . . 24 GLY HA1 . 6620 1 94 . 1 1 29 29 GLY HA3 H 1 3.517 0.020 . 2 . . . . 24 GLY HA2 . 6620 1 95 . 1 1 29 29 GLY C C 13 171.927 0.150 . 1 . . . . 24 GLY C . 6620 1 96 . 1 1 29 29 GLY CA C 13 45.427 0.150 . 1 . . . . 24 GLY CA . 6620 1 97 . 1 1 29 29 GLY N N 15 107.504 0.150 . 1 . . . . 24 GLY N . 6620 1 98 . 1 1 30 30 GLY H H 1 8.264 0.020 . 1 . . . . 25 GLY HN . 6620 1 99 . 1 1 30 30 GLY HA2 H 1 3.895 0.020 . 2 . . . . 25 GLY HA1 . 6620 1 100 . 1 1 30 30 GLY HA3 H 1 4.691 0.020 . 2 . . . . 25 GLY HA2 . 6620 1 101 . 1 1 30 30 GLY CA C 13 45.750 0.150 . 1 . . . . 25 GLY CA . 6620 1 102 . 1 1 30 30 GLY N N 15 107.595 0.150 . 1 . . . . 25 GLY N . 6620 1 103 . 1 1 31 31 LYS H H 1 8.242 0.020 . 1 . . . . 26 LYS HN . 6620 1 104 . 1 1 31 31 LYS HA H 1 4.513 0.020 . 1 . . . . 26 LYS HA . 6620 1 105 . 1 1 31 31 LYS HB2 H 1 1.945 0.020 . 2 . . . . 26 LYS HB2 . 6620 1 106 . 1 1 31 31 LYS HB3 H 1 1.885 0.020 . 2 . . . . 26 LYS HB3 . 6620 1 107 . 1 1 31 31 LYS HG2 H 1 1.498 0.020 . 2 . . . . 26 LYS HG2 . 6620 1 108 . 1 1 31 31 LYS HG3 H 1 1.442 0.020 . 2 . . . . 26 LYS HG3 . 6620 1 109 . 1 1 31 31 LYS HD2 H 1 1.784 0.020 . 1 . . . . 26 LYS HD2 . 6620 1 110 . 1 1 31 31 LYS HD3 H 1 1.784 0.020 . 1 . . . . 26 LYS HD3 . 6620 1 111 . 1 1 31 31 LYS HE2 H 1 3.067 0.020 . 1 . . . . 26 LYS HE2 . 6620 1 112 . 1 1 31 31 LYS HE3 H 1 3.067 0.020 . 1 . . . . 26 LYS HE3 . 6620 1 113 . 1 1 31 31 LYS CA C 13 56.432 0.150 . 1 . . . . 26 LYS CA . 6620 1 114 . 1 1 31 31 LYS CB C 13 35.285 0.150 . 1 . . . . 26 LYS CB . 6620 1 115 . 1 1 31 31 LYS CG C 13 25.366 0.150 . 1 . . . . 26 LYS CG . 6620 1 116 . 1 1 31 31 LYS CD C 13 30.219 0.150 . 1 . . . . 26 LYS CD . 6620 1 117 . 1 1 31 31 LYS CE C 13 42.515 0.150 . 1 . . . . 26 LYS CE . 6620 1 118 . 1 1 31 31 LYS N N 15 119.629 0.150 . 1 . . . . 26 LYS N . 6620 1 119 . 1 1 32 32 GLU H H 1 7.876 0.020 . 1 . . . . 27 GLU HN . 6620 1 120 . 1 1 32 32 GLU HA H 1 4.772 0.020 . 1 . . . . 27 GLU HA . 6620 1 121 . 1 1 32 32 GLU HB2 H 1 1.621 0.020 . 2 . . . . 27 GLU HB2 . 6620 1 122 . 1 1 32 32 GLU CA C 13 56.751 0.150 . 1 . . . . 27 GLU CA . 6620 1 123 . 1 1 32 32 GLU CB C 13 33.690 0.150 . 1 . . . . 27 GLU CB . 6620 1 124 . 1 1 32 32 GLU N N 15 121.729 0.150 . 1 . . . . 27 GLU N . 6620 1 125 . 1 1 33 33 ASP H H 1 8.621 0.020 . 1 . . . . 28 ASP HN . 6620 1 126 . 1 1 33 33 ASP HA H 1 4.614 0.020 . 1 . . . . 28 ASP HA . 6620 1 127 . 1 1 33 33 ASP HB2 H 1 2.801 0.020 . 2 . . . . 28 ASP HB2 . 6620 1 128 . 1 1 33 33 ASP CA C 13 55.397 0.150 . 1 . . . . 28 ASP CA . 6620 1 129 . 1 1 33 33 ASP CB C 13 40.991 0.150 . 1 . . . . 28 ASP CB . 6620 1 130 . 1 1 33 33 ASP N N 15 118.792 0.150 . 1 . . . . 28 ASP N . 6620 1 131 . 1 1 34 34 VAL H H 1 7.879 0.020 . 1 . . . . 29 VAL HN . 6620 1 132 . 1 1 34 34 VAL HA H 1 4.355 0.020 . 1 . . . . 29 VAL HA . 6620 1 133 . 1 1 34 34 VAL HB H 1 2.217 0.020 . 1 . . . . 29 VAL HB . 6620 1 134 . 1 1 34 34 VAL HG11 H 1 0.900 0.020 . 2 . . . . 29 VAL HG1 . 6620 1 135 . 1 1 34 34 VAL HG12 H 1 0.900 0.020 . 2 . . . . 29 VAL HG1 . 6620 1 136 . 1 1 34 34 VAL HG13 H 1 0.900 0.020 . 2 . . . . 29 VAL HG1 . 6620 1 137 . 1 1 34 34 VAL CA C 13 62.575 0.150 . 1 . . . . 29 VAL CA . 6620 1 138 . 1 1 34 34 VAL CB C 13 33.455 0.150 . 1 . . . . 29 VAL CB . 6620 1 139 . 1 1 34 34 VAL CG1 C 13 21.489 0.150 . 1 . . . . 29 VAL CG1 . 6620 1 140 . 1 1 34 34 VAL N N 15 121.681 0.150 . 1 . . . . 29 VAL N . 6620 1 141 . 1 1 35 35 SER H H 1 8.758 0.020 . 1 . . . . 30 SER HN . 6620 1 142 . 1 1 35 35 SER HA H 1 5.228 0.020 . 1 . . . . 30 SER HA . 6620 1 143 . 1 1 35 35 SER HB2 H 1 3.871 0.020 . 2 . . . . 30 SER HB2 . 6620 1 144 . 1 1 35 35 SER CA C 13 57.494 0.150 . 1 . . . . 30 SER CA . 6620 1 145 . 1 1 35 35 SER CB C 13 65.876 0.150 . 1 . . . . 30 SER CB . 6620 1 146 . 1 1 35 35 SER N N 15 122.242 0.150 . 1 . . . . 30 SER N . 6620 1 147 . 1 1 36 36 TYR H H 1 8.574 0.020 . 1 . . . . 31 TYR HN . 6620 1 148 . 1 1 36 36 TYR HA H 1 5.948 0.020 . 1 . . . . 31 TYR HA . 6620 1 149 . 1 1 36 36 TYR HB2 H 1 2.989 0.020 . 2 . . . . 31 TYR HB2 . 6620 1 150 . 1 1 36 36 TYR HB3 H 1 2.557 0.020 . 2 . . . . 31 TYR HB3 . 6620 1 151 . 1 1 36 36 TYR HD1 H 1 6.575 0.020 . 1 . . . . 31 TYR HD1 . 6620 1 152 . 1 1 36 36 TYR HD2 H 1 6.575 0.020 . 1 . . . . 31 TYR HD2 . 6620 1 153 . 1 1 36 36 TYR HE1 H 1 6.508 0.020 . 1 . . . . 31 TYR HE1 . 6620 1 154 . 1 1 36 36 TYR HE2 H 1 6.508 0.020 . 1 . . . . 31 TYR HE2 . 6620 1 155 . 1 1 36 36 TYR CA C 13 56.428 0.150 . 1 . . . . 31 TYR CA . 6620 1 156 . 1 1 36 36 TYR CB C 13 43.092 0.150 . 1 . . . . 31 TYR CB . 6620 1 157 . 1 1 36 36 TYR CD1 C 13 133.013 0.150 . 3 . . . . 31 TYR CD1 . 6620 1 158 . 1 1 36 36 TYR CE1 C 13 117.932 0.150 . 3 . . . . 31 TYR CE1 . 6620 1 159 . 1 1 36 36 TYR N N 15 120.391 0.150 . 1 . . . . 31 TYR N . 6620 1 160 . 1 1 37 37 GLU H H 1 8.829 0.020 . 1 . . . . 32 GLU HN . 6620 1 161 . 1 1 37 37 GLU HA H 1 4.814 0.020 . 1 . . . . 32 GLU HA . 6620 1 162 . 1 1 37 37 GLU HB2 H 1 2.057 0.020 . 2 . . . . 32 GLU HB2 . 6620 1 163 . 1 1 37 37 GLU HB3 H 1 1.744 0.020 . 2 . . . . 32 GLU HB3 . 6620 1 164 . 1 1 37 37 GLU HG2 H 1 2.077 0.020 . 2 . . . . 32 GLU HG2 . 6620 1 165 . 1 1 37 37 GLU HG3 H 1 2.248 0.020 . 2 . . . . 32 GLU HG3 . 6620 1 166 . 1 1 37 37 GLU CA C 13 54.732 0.150 . 1 . . . . 32 GLU CA . 6620 1 167 . 1 1 37 37 GLU CB C 13 34.261 0.150 . 1 . . . . 32 GLU CB . 6620 1 168 . 1 1 37 37 GLU CG C 13 36.691 0.150 . 1 . . . . 32 GLU CG . 6620 1 169 . 1 1 37 37 GLU N N 15 118.485 0.150 . 1 . . . . 32 GLU N . 6620 1 170 . 1 1 38 38 GLU H H 1 8.991 0.020 . 1 . . . . 33 GLU HN . 6620 1 171 . 1 1 38 38 GLU HA H 1 5.171 0.020 . 1 . . . . 33 GLU HA . 6620 1 172 . 1 1 38 38 GLU HB2 H 1 2.044 0.020 . 2 . . . . 33 GLU HB2 . 6620 1 173 . 1 1 38 38 GLU HB3 H 1 1.784 0.020 . 2 . . . . 33 GLU HB3 . 6620 1 174 . 1 1 38 38 GLU HG2 H 1 2.235 0.020 . 2 . . . . 33 GLU HG2 . 6620 1 175 . 1 1 38 38 GLU HG3 H 1 2.006 0.020 . 2 . . . . 33 GLU HG3 . 6620 1 176 . 1 1 38 38 GLU CA C 13 55.457 0.150 . 1 . . . . 33 GLU CA . 6620 1 177 . 1 1 38 38 GLU CB C 13 32.808 0.150 . 1 . . . . 33 GLU CB . 6620 1 178 . 1 1 38 38 GLU CG C 13 37.338 0.150 . 1 . . . . 33 GLU CG . 6620 1 179 . 1 1 38 38 GLU N N 15 128.405 0.150 . 1 . . . . 33 GLU N . 6620 1 180 . 1 1 39 39 ARG H H 1 9.133 0.020 . 1 . . . . 34 ARG HN . 6620 1 181 . 1 1 39 39 ARG HA H 1 5.078 0.020 . 1 . . . . 34 ARG HA . 6620 1 182 . 1 1 39 39 ARG HB2 H 1 0.549 0.020 . 2 . . . . 34 ARG HB2 . 6620 1 183 . 1 1 39 39 ARG CA C 13 53.839 0.150 . 1 . . . . 34 ARG CA . 6620 1 184 . 1 1 39 39 ARG CB C 13 35.021 0.150 . 1 . . . . 34 ARG CB . 6620 1 185 . 1 1 39 39 ARG N N 15 125.835 0.150 . 1 . . . . 34 ARG N . 6620 1 186 . 1 1 40 40 ALA H H 1 8.871 0.020 . 1 . . . . 35 ALA HN . 6620 1 187 . 1 1 40 40 ALA HA H 1 4.855 0.020 . 1 . . . . 35 ALA HA . 6620 1 188 . 1 1 40 40 ALA HB1 H 1 1.321 0.020 . 1 . . . . 35 ALA HB . 6620 1 189 . 1 1 40 40 ALA HB2 H 1 1.321 0.020 . 1 . . . . 35 ALA HB . 6620 1 190 . 1 1 40 40 ALA HB3 H 1 1.321 0.020 . 1 . . . . 35 ALA HB . 6620 1 191 . 1 1 40 40 ALA CA C 13 51.251 0.150 . 1 . . . . 35 ALA CA . 6620 1 192 . 1 1 40 40 ALA CB C 13 18.500 0.150 . 1 . . . . 35 ALA CB . 6620 1 193 . 1 1 40 40 ALA N N 15 125.924 0.150 . 1 . . . . 35 ALA N . 6620 1 194 . 1 1 41 41 CYS H H 1 9.222 0.020 . 1 . . . . 36 CYS HN . 6620 1 195 . 1 1 41 41 CYS HA H 1 4.739 0.020 . 1 . . . . 36 CYS HA . 6620 1 196 . 1 1 41 41 CYS HB2 H 1 2.618 0.020 . 2 . . . . 36 CYS HB2 . 6620 1 197 . 1 1 41 41 CYS HB3 H 1 2.792 0.020 . 2 . . . . 36 CYS HB3 . 6620 1 198 . 1 1 41 41 CYS CA C 13 58.046 0.150 . 1 . . . . 36 CYS CA . 6620 1 199 . 1 1 41 41 CYS CB C 13 27.631 0.150 . 1 . . . . 36 CYS CB . 6620 1 200 . 1 1 41 41 CYS N N 15 125.456 0.150 . 1 . . . . 36 CYS N . 6620 1 201 . 1 1 42 42 GLU H H 1 8.728 0.020 . 1 . . . . 37 GLU HN . 6620 1 202 . 1 1 42 42 GLU HA H 1 4.304 0.020 . 1 . . . . 37 GLU HA . 6620 1 203 . 1 1 42 42 GLU HB2 H 1 2.126 0.020 . 2 . . . . 37 GLU HB2 . 6620 1 204 . 1 1 42 42 GLU HB3 H 1 2.287 0.020 . 2 . . . . 37 GLU HB3 . 6620 1 205 . 1 1 42 42 GLU HG2 H 1 2.377 0.020 . 2 . . . . 37 GLU HG2 . 6620 1 206 . 1 1 42 42 GLU HG3 H 1 2.506 0.020 . 2 . . . . 37 GLU HG3 . 6620 1 207 . 1 1 42 42 GLU CA C 13 58.595 0.150 . 1 . . . . 37 GLU CA . 6620 1 208 . 1 1 42 42 GLU CB C 13 31.514 0.150 . 1 . . . . 37 GLU CB . 6620 1 209 . 1 1 42 42 GLU CG C 13 37.661 0.150 . 1 . . . . 37 GLU CG . 6620 1 210 . 1 1 42 42 GLU N N 15 124.373 0.150 . 1 . . . . 37 GLU N . 6620 1 211 . 1 1 43 43 GLY H H 1 8.867 0.020 . 1 . . . . 38 GLY HN . 6620 1 212 . 1 1 43 43 GLY HA2 H 1 4.599 0.020 . 2 . . . . 38 GLY HA1 . 6620 1 213 . 1 1 43 43 GLY HA3 H 1 3.830 0.020 . 2 . . . . 38 GLY HA2 . 6620 1 214 . 1 1 43 43 GLY CA C 13 44.301 0.150 . 1 . . . . 38 GLY CA . 6620 1 215 . 1 1 43 43 GLY N N 15 111.912 0.150 . 1 . . . . 38 GLY N . 6620 1 216 . 1 1 44 44 GLY H H 1 9.005 0.020 . 1 . . . . 39 GLY HN . 6620 1 217 . 1 1 44 44 GLY HA2 H 1 4.478 0.020 . 2 . . . . 39 GLY HA1 . 6620 1 218 . 1 1 44 44 GLY HA3 H 1 3.800 0.020 . 2 . . . . 39 GLY HA2 . 6620 1 219 . 1 1 44 44 GLY CA C 13 44.456 0.150 . 1 . . . . 39 GLY CA . 6620 1 220 . 1 1 44 44 GLY N N 15 112.277 0.150 . 1 . . . . 39 GLY N . 6620 1 221 . 1 1 45 45 LYS H H 1 9.795 0.020 . 1 . . . . 40 LYS HN . 6620 1 222 . 1 1 45 45 LYS HA H 1 5.056 0.020 . 1 . . . . 40 LYS HA . 6620 1 223 . 1 1 45 45 LYS HB2 H 1 1.472 0.020 . 2 . . . . 40 LYS HB2 . 6620 1 224 . 1 1 45 45 LYS HB3 H 1 1.587 0.020 . 2 . . . . 40 LYS HB3 . 6620 1 225 . 1 1 45 45 LYS HG2 H 1 1.458 0.020 . 2 . . . . 40 LYS HG2 . 6620 1 226 . 1 1 45 45 LYS HG3 H 1 1.646 0.020 . 2 . . . . 40 LYS HG3 . 6620 1 227 . 1 1 45 45 LYS HD2 H 1 1.661 0.020 . 1 . . . . 40 LYS HD2 . 6620 1 228 . 1 1 45 45 LYS HD3 H 1 1.661 0.020 . 1 . . . . 40 LYS HD3 . 6620 1 229 . 1 1 45 45 LYS HE2 H 1 3.014 0.020 . 1 . . . . 40 LYS HE2 . 6620 1 230 . 1 1 45 45 LYS HE3 H 1 3.014 0.020 . 1 . . . . 40 LYS HE3 . 6620 1 231 . 1 1 45 45 LYS CA C 13 56.413 0.150 . 1 . . . . 40 LYS CA . 6620 1 232 . 1 1 45 45 LYS CB C 13 34.749 0.150 . 1 . . . . 40 LYS CB . 6620 1 233 . 1 1 45 45 LYS CG C 13 26.660 0.150 . 1 . . . . 40 LYS CG . 6620 1 234 . 1 1 45 45 LYS CD C 13 29.572 0.150 . 1 . . . . 40 LYS CD . 6620 1 235 . 1 1 45 45 LYS CE C 13 43.485 0.150 . 1 . . . . 40 LYS CE . 6620 1 236 . 1 1 45 45 LYS N N 15 122.044 0.150 . 1 . . . . 40 LYS N . 6620 1 237 . 1 1 46 46 PHE H H 1 9.433 0.020 . 1 . . . . 41 PHE HN . 6620 1 238 . 1 1 46 46 PHE HA H 1 5.152 0.020 . 1 . . . . 41 PHE HA . 6620 1 239 . 1 1 46 46 PHE HB2 H 1 2.879 0.020 . 2 . . . . 41 PHE HB2 . 6620 1 240 . 1 1 46 46 PHE HB3 H 1 2.961 0.020 . 2 . . . . 41 PHE HB3 . 6620 1 241 . 1 1 46 46 PHE HD1 H 1 7.213 0.020 . 1 . . . . 41 PHE HD1 . 6620 1 242 . 1 1 46 46 PHE HD2 H 1 7.213 0.020 . 1 . . . . 41 PHE HD2 . 6620 1 243 . 1 1 46 46 PHE HE1 H 1 7.427 0.020 . 1 . . . . 41 PHE HE1 . 6620 1 244 . 1 1 46 46 PHE HE2 H 1 7.427 0.020 . 1 . . . . 41 PHE HE2 . 6620 1 245 . 1 1 46 46 PHE HZ H 1 7.551 0.020 . 1 . . . . 41 PHE HZ . 6620 1 246 . 1 1 46 46 PHE CA C 13 56.428 0.150 . 1 . . . . 41 PHE CA . 6620 1 247 . 1 1 46 46 PHE CB C 13 44.132 0.150 . 1 . . . . 41 PHE CB . 6620 1 248 . 1 1 46 46 PHE CD1 C 13 132.685 0.150 . 3 . . . . 41 PHE CD1 . 6620 1 249 . 1 1 46 46 PHE CE1 C 13 131.918 0.150 . 3 . . . . 41 PHE CE1 . 6620 1 250 . 1 1 46 46 PHE CZ C 13 130.365 0.150 . 1 . . . . 41 PHE CZ . 6620 1 251 . 1 1 46 46 PHE N N 15 120.638 0.150 . 1 . . . . 41 PHE N . 6620 1 252 . 1 1 47 47 ALA H H 1 9.601 0.020 . 1 . . . . 42 ALA HN . 6620 1 253 . 1 1 47 47 ALA HA H 1 5.515 0.020 . 1 . . . . 42 ALA HA . 6620 1 254 . 1 1 47 47 ALA HB1 H 1 1.157 0.020 . 1 . . . . 42 ALA HB . 6620 1 255 . 1 1 47 47 ALA HB2 H 1 1.157 0.020 . 1 . . . . 42 ALA HB . 6620 1 256 . 1 1 47 47 ALA HB3 H 1 1.157 0.020 . 1 . . . . 42 ALA HB . 6620 1 257 . 1 1 47 47 ALA CA C 13 50.591 0.150 . 1 . . . . 42 ALA CA . 6620 1 258 . 1 1 47 47 ALA CB C 13 20.513 0.150 . 1 . . . . 42 ALA CB . 6620 1 259 . 1 1 47 47 ALA N N 15 123.418 0.150 . 1 . . . . 42 ALA N . 6620 1 260 . 1 1 48 48 THR H H 1 9.486 0.020 . 1 . . . . 43 THR HN . 6620 1 261 . 1 1 48 48 THR HA H 1 5.314 0.020 . 1 . . . . 43 THR HA . 6620 1 262 . 1 1 48 48 THR HB H 1 3.366 0.020 . 1 . . . . 43 THR HB . 6620 1 263 . 1 1 48 48 THR HG21 H 1 0.030 0.020 . 1 . . . . 43 THR HG2 . 6620 1 264 . 1 1 48 48 THR HG22 H 1 0.030 0.020 . 1 . . . . 43 THR HG2 . 6620 1 265 . 1 1 48 48 THR HG23 H 1 0.030 0.020 . 1 . . . . 43 THR HG2 . 6620 1 266 . 1 1 48 48 THR CA C 13 57.722 0.150 . 1 . . . . 43 THR CA . 6620 1 267 . 1 1 48 48 THR CB C 13 72.282 0.150 . 1 . . . . 43 THR CB . 6620 1 268 . 1 1 48 48 THR CG2 C 13 21.165 0.150 . 1 . . . . 43 THR CG2 . 6620 1 269 . 1 1 48 48 THR N N 15 114.115 0.150 . 1 . . . . 43 THR N . 6620 1 270 . 1 1 49 49 VAL H H 1 6.871 0.020 . 1 . . . . 44 VAL HN . 6620 1 271 . 1 1 49 49 VAL HA H 1 4.410 0.020 . 1 . . . . 44 VAL HA . 6620 1 272 . 1 1 49 49 VAL HB H 1 1.668 0.020 . 1 . . . . 44 VAL HB . 6620 1 273 . 1 1 49 49 VAL HG11 H 1 0.831 0.020 . 2 . . . . 44 VAL HG1 . 6620 1 274 . 1 1 49 49 VAL HG12 H 1 0.831 0.020 . 2 . . . . 44 VAL HG1 . 6620 1 275 . 1 1 49 49 VAL HG13 H 1 0.831 0.020 . 2 . . . . 44 VAL HG1 . 6620 1 276 . 1 1 49 49 VAL HG21 H 1 0.893 0.020 . 2 . . . . 44 VAL HG2 . 6620 1 277 . 1 1 49 49 VAL HG22 H 1 0.893 0.020 . 2 . . . . 44 VAL HG2 . 6620 1 278 . 1 1 49 49 VAL HG23 H 1 0.893 0.020 . 2 . . . . 44 VAL HG2 . 6620 1 279 . 1 1 49 49 VAL CA C 13 61.389 0.150 . 1 . . . . 44 VAL CA . 6620 1 280 . 1 1 49 49 VAL CB C 13 37.529 0.150 . 1 . . . . 44 VAL CB . 6620 1 281 . 1 1 49 49 VAL CG1 C 13 21.813 0.150 . 1 . . . . 44 VAL CG1 . 6620 1 282 . 1 1 49 49 VAL CG2 C 13 22.777 0.150 . 1 . . . . 44 VAL CG2 . 6620 1 283 . 1 1 49 49 VAL N N 15 116.073 0.150 . 1 . . . . 44 VAL N . 6620 1 284 . 1 1 50 50 GLU H H 1 9.112 0.020 . 1 . . . . 45 GLU HN . 6620 1 285 . 1 1 50 50 GLU HA H 1 5.150 0.020 . 1 . . . . 45 GLU HA . 6620 1 286 . 1 1 50 50 GLU HB2 H 1 1.970 0.020 . 2 . . . . 45 GLU HB2 . 6620 1 287 . 1 1 50 50 GLU HB3 H 1 1.773 0.020 . 2 . . . . 45 GLU HB3 . 6620 1 288 . 1 1 50 50 GLU HG2 H 1 2.273 0.020 . 1 . . . . 45 GLU HG2 . 6620 1 289 . 1 1 50 50 GLU HG3 H 1 2.273 0.020 . 1 . . . . 45 GLU HG3 . 6620 1 290 . 1 1 50 50 GLU CA C 13 55.536 0.150 . 1 . . . . 45 GLU CA . 6620 1 291 . 1 1 50 50 GLU CB C 13 32.699 0.150 . 1 . . . . 45 GLU CB . 6620 1 292 . 1 1 50 50 GLU CG C 13 37.338 0.150 . 1 . . . . 45 GLU CG . 6620 1 293 . 1 1 50 50 GLU N N 15 129.978 0.150 . 1 . . . . 45 GLU N . 6620 1 294 . 1 1 51 51 VAL H H 1 8.771 0.020 . 1 . . . . 46 VAL HN . 6620 1 295 . 1 1 51 51 VAL HA H 1 4.443 0.020 . 1 . . . . 46 VAL HA . 6620 1 296 . 1 1 51 51 VAL HB H 1 1.750 0.020 . 1 . . . . 46 VAL HB . 6620 1 297 . 1 1 51 51 VAL HG11 H 1 0.868 0.020 . 2 . . . . 46 VAL HG1 . 6620 1 298 . 1 1 51 51 VAL HG12 H 1 0.868 0.020 . 2 . . . . 46 VAL HG1 . 6620 1 299 . 1 1 51 51 VAL HG13 H 1 0.868 0.020 . 2 . . . . 46 VAL HG1 . 6620 1 300 . 1 1 51 51 VAL HG21 H 1 0.972 0.020 . 2 . . . . 46 VAL HG2 . 6620 1 301 . 1 1 51 51 VAL HG22 H 1 0.972 0.020 . 2 . . . . 46 VAL HG2 . 6620 1 302 . 1 1 51 51 VAL HG23 H 1 0.972 0.020 . 2 . . . . 46 VAL HG2 . 6620 1 303 . 1 1 51 51 VAL CA C 13 61.668 0.150 . 1 . . . . 46 VAL CA . 6620 1 304 . 1 1 51 51 VAL CB C 13 35.743 0.150 . 1 . . . . 46 VAL CB . 6620 1 305 . 1 1 51 51 VAL CG1 C 13 21.165 0.150 . 1 . . . . 46 VAL CG1 . 6620 1 306 . 1 1 51 51 VAL CG2 C 13 22.136 0.150 . 1 . . . . 46 VAL CG2 . 6620 1 307 . 1 1 51 51 VAL N N 15 126.103 0.150 . 1 . . . . 46 VAL N . 6620 1 308 . 1 1 52 52 THR H H 1 8.722 0.020 . 1 . . . . 47 THR HN . 6620 1 309 . 1 1 52 52 THR HA H 1 4.792 0.020 . 1 . . . . 47 THR HA . 6620 1 310 . 1 1 52 52 THR HB H 1 4.194 0.020 . 1 . . . . 47 THR HB . 6620 1 311 . 1 1 52 52 THR HG21 H 1 1.140 0.020 . 1 . . . . 47 THR HG2 . 6620 1 312 . 1 1 52 52 THR HG22 H 1 1.140 0.020 . 1 . . . . 47 THR HG2 . 6620 1 313 . 1 1 52 52 THR HG23 H 1 1.140 0.020 . 1 . . . . 47 THR HG2 . 6620 1 314 . 1 1 52 52 THR CA C 13 61.281 0.150 . 1 . . . . 47 THR CA . 6620 1 315 . 1 1 52 52 THR CB C 13 71.306 0.150 . 1 . . . . 47 THR CB . 6620 1 316 . 1 1 52 52 THR CG2 C 13 22.136 0.150 . 1 . . . . 47 THR CG2 . 6620 1 317 . 1 1 52 52 THR N N 15 119.899 0.150 . 1 . . . . 47 THR N . 6620 1 318 . 1 1 53 53 ASP H H 1 8.213 0.020 . 1 . . . . 48 ASP HN . 6620 1 319 . 1 1 53 53 ASP HA H 1 4.361 0.020 . 1 . . . . 48 ASP HA . 6620 1 320 . 1 1 53 53 ASP HB2 H 1 2.925 0.020 . 2 . . . . 48 ASP HB2 . 6620 1 321 . 1 1 53 53 ASP CA C 13 57.075 0.150 . 1 . . . . 48 ASP CA . 6620 1 322 . 1 1 53 53 ASP CB C 13 39.754 0.150 . 1 . . . . 48 ASP CB . 6620 1 323 . 1 1 53 53 ASP N N 15 115.298 0.150 . 1 . . . . 48 ASP N . 6620 1 324 . 1 1 54 54 LYS H H 1 7.793 0.020 . 1 . . . . 49 LYS HN . 6620 1 325 . 1 1 54 54 LYS HA H 1 4.902 0.020 . 1 . . . . 49 LYS HA . 6620 1 326 . 1 1 54 54 LYS HB2 H 1 1.338 0.020 . 2 . . . . 49 LYS HB2 . 6620 1 327 . 1 1 54 54 LYS HB3 H 1 1.587 0.020 . 2 . . . . 49 LYS HB3 . 6620 1 328 . 1 1 54 54 LYS HG2 H 1 1.606 0.020 . 2 . . . . 49 LYS HG2 . 6620 1 329 . 1 1 54 54 LYS HD2 H 1 1.423 0.020 . 1 . . . . 49 LYS HD2 . 6620 1 330 . 1 1 54 54 LYS HD3 H 1 1.423 0.020 . 1 . . . . 49 LYS HD3 . 6620 1 331 . 1 1 54 54 LYS HE2 H 1 2.953 0.020 . 1 . . . . 49 LYS HE2 . 6620 1 332 . 1 1 54 54 LYS HE3 H 1 2.953 0.020 . 1 . . . . 49 LYS HE3 . 6620 1 333 . 1 1 54 54 LYS CA C 13 53.839 0.150 . 1 . . . . 49 LYS CA . 6620 1 334 . 1 1 54 54 LYS CB C 13 35.720 0.150 . 1 . . . . 49 LYS CB . 6620 1 335 . 1 1 54 54 LYS CE C 13 42.838 0.150 . 1 . . . . 49 LYS CE . 6620 1 336 . 1 1 54 54 LYS N N 15 118.386 0.150 . 1 . . . . 49 LYS N . 6620 1 337 . 1 1 55 55 PRO HA H 1 4.697 0.020 . 1 . . . . 50 PRO HA . 6620 1 338 . 1 1 55 55 PRO HB2 H 1 2.032 0.020 . 2 . . . . 50 PRO HB2 . 6620 1 339 . 1 1 55 55 PRO HB3 H 1 2.154 0.020 . 2 . . . . 50 PRO HB3 . 6620 1 340 . 1 1 55 55 PRO HG2 H 1 2.535 0.020 . 1 . . . . 50 PRO HG2 . 6620 1 341 . 1 1 55 55 PRO HG3 H 1 2.535 0.020 . 1 . . . . 50 PRO HG3 . 6620 1 342 . 1 1 55 55 PRO HD2 H 1 3.818 0.020 . 2 . . . . 50 PRO HD2 . 6620 1 343 . 1 1 55 55 PRO HD3 H 1 3.669 0.020 . 2 . . . . 50 PRO HD3 . 6620 1 344 . 1 1 55 55 PRO CA C 13 62.575 0.150 . 1 . . . . 50 PRO CA . 6620 1 345 . 1 1 55 55 PRO CB C 13 32.808 0.150 . 1 . . . . 50 PRO CB . 6620 1 346 . 1 1 55 55 PRO CD C 13 50.927 0.150 . 1 . . . . 50 PRO CD . 6620 1 347 . 1 1 56 56 VAL H H 1 8.643 0.020 . 1 . . . . 51 VAL HN . 6620 1 348 . 1 1 56 56 VAL HA H 1 3.494 0.020 . 1 . . . . 51 VAL HA . 6620 1 349 . 1 1 56 56 VAL HB H 1 2.070 0.020 . 1 . . . . 51 VAL HB . 6620 1 350 . 1 1 56 56 VAL HG11 H 1 0.980 0.020 . 2 . . . . 51 VAL HG1 . 6620 1 351 . 1 1 56 56 VAL HG12 H 1 0.980 0.020 . 2 . . . . 51 VAL HG1 . 6620 1 352 . 1 1 56 56 VAL HG13 H 1 0.980 0.020 . 2 . . . . 51 VAL HG1 . 6620 1 353 . 1 1 56 56 VAL HG21 H 1 1.304 0.020 . 2 . . . . 51 VAL HG2 . 6620 1 354 . 1 1 56 56 VAL HG22 H 1 1.304 0.020 . 2 . . . . 51 VAL HG2 . 6620 1 355 . 1 1 56 56 VAL HG23 H 1 1.304 0.020 . 2 . . . . 51 VAL HG2 . 6620 1 356 . 1 1 56 56 VAL CA C 13 68.070 0.150 . 1 . . . . 51 VAL CA . 6620 1 357 . 1 1 56 56 VAL CB C 13 32.808 0.150 . 1 . . . . 51 VAL CB . 6620 1 358 . 1 1 56 56 VAL CG1 C 13 20.842 0.150 . 1 . . . . 51 VAL CG1 . 6620 1 359 . 1 1 56 56 VAL CG2 C 13 24.072 0.150 . 1 . . . . 51 VAL CG2 . 6620 1 360 . 1 1 56 56 VAL N N 15 121.977 0.150 . 1 . . . . 51 VAL N . 6620 1 361 . 1 1 57 57 ASP H H 1 9.202 0.020 . 1 . . . . 52 ASP HN . 6620 1 362 . 1 1 57 57 ASP HA H 1 4.450 0.020 . 1 . . . . 52 ASP HA . 6620 1 363 . 1 1 57 57 ASP HB2 H 1 2.633 0.020 . 2 . . . . 52 ASP HB2 . 6620 1 364 . 1 1 57 57 ASP HB3 H 1 2.729 0.020 . 2 . . . . 52 ASP HB3 . 6620 1 365 . 1 1 57 57 ASP CA C 13 59.016 0.150 . 1 . . . . 52 ASP CA . 6620 1 366 . 1 1 57 57 ASP CB C 13 41.220 0.150 . 1 . . . . 52 ASP CB . 6620 1 367 . 1 1 57 57 ASP N N 15 117.101 0.150 . 1 . . . . 52 ASP N . 6620 1 368 . 1 1 58 58 GLU H H 1 7.216 0.020 . 1 . . . . 53 GLU HN . 6620 1 369 . 1 1 58 58 GLU HA H 1 4.040 0.020 . 1 . . . . 53 GLU HA . 6620 1 370 . 1 1 58 58 GLU HB2 H 1 1.961 0.020 . 2 . . . . 53 GLU HB2 . 6620 1 371 . 1 1 58 58 GLU HG3 H 1 2.253 0.020 . 2 . . . . 53 GLU HG3 . 6620 1 372 . 1 1 58 58 GLU CA C 13 58.486 0.150 . 1 . . . . 53 GLU CA . 6620 1 373 . 1 1 58 58 GLU CB C 13 30.387 0.150 . 1 . . . . 53 GLU CB . 6620 1 374 . 1 1 58 58 GLU N N 15 118.899 0.150 . 1 . . . . 53 GLU N . 6620 1 375 . 1 1 59 59 ALA H H 1 9.006 0.020 . 1 . . . . 54 ALA HN . 6620 1 376 . 1 1 59 59 ALA HA H 1 3.823 0.020 . 1 . . . . 54 ALA HA . 6620 1 377 . 1 1 59 59 ALA HB1 H 1 1.281 0.020 . 1 . . . . 54 ALA HB . 6620 1 378 . 1 1 59 59 ALA HB2 H 1 1.281 0.020 . 1 . . . . 54 ALA HB . 6620 1 379 . 1 1 59 59 ALA HB3 H 1 1.281 0.020 . 1 . . . . 54 ALA HB . 6620 1 380 . 1 1 59 59 ALA CA C 13 55.457 0.150 . 1 . . . . 54 ALA CA . 6620 1 381 . 1 1 59 59 ALA CB C 13 19.542 0.150 . 1 . . . . 54 ALA CB . 6620 1 382 . 1 1 59 59 ALA N N 15 124.295 0.150 . 1 . . . . 54 ALA N . 6620 1 383 . 1 1 60 60 LEU H H 1 8.502 0.020 . 1 . . . . 55 LEU HN . 6620 1 384 . 1 1 60 60 LEU HA H 1 3.645 0.020 . 1 . . . . 55 LEU HA . 6620 1 385 . 1 1 60 60 LEU HB2 H 1 1.477 0.020 . 2 . . . . 55 LEU HB2 . 6620 1 386 . 1 1 60 60 LEU HG H 1 1.371 0.020 . 1 . . . . 55 LEU HG . 6620 1 387 . 1 1 60 60 LEU HD11 H 1 0.180 0.020 . 2 . . . . 55 LEU HD1 . 6620 1 388 . 1 1 60 60 LEU HD12 H 1 0.180 0.020 . 2 . . . . 55 LEU HD1 . 6620 1 389 . 1 1 60 60 LEU HD13 H 1 0.180 0.020 . 2 . . . . 55 LEU HD1 . 6620 1 390 . 1 1 60 60 LEU HD21 H 1 0.378 0.020 . 2 . . . . 55 LEU HD2 . 6620 1 391 . 1 1 60 60 LEU HD22 H 1 0.378 0.020 . 2 . . . . 55 LEU HD2 . 6620 1 392 . 1 1 60 60 LEU HD23 H 1 0.378 0.020 . 2 . . . . 55 LEU HD2 . 6620 1 393 . 1 1 60 60 LEU CA C 13 58.486 0.150 . 1 . . . . 55 LEU CA . 6620 1 394 . 1 1 60 60 LEU CB C 13 42.442 0.150 . 1 . . . . 55 LEU CB . 6620 1 395 . 1 1 60 60 LEU CG C 13 26.660 0.150 . 1 . . . . 55 LEU CG . 6620 1 396 . 1 1 60 60 LEU CD1 C 13 23.748 0.150 . 1 . . . . 55 LEU CD1 . 6620 1 397 . 1 1 60 60 LEU CD2 C 13 24.072 0.150 . 1 . . . . 55 LEU CD2 . 6620 1 398 . 1 1 60 60 LEU N N 15 119.413 0.150 . 1 . . . . 55 LEU N . 6620 1 399 . 1 1 61 61 ARG H H 1 6.993 0.020 . 1 . . . . 56 ARG HN . 6620 1 400 . 1 1 61 61 ARG HA H 1 4.041 0.020 . 1 . . . . 56 ARG HA . 6620 1 401 . 1 1 61 61 ARG HB2 H 1 1.919 0.020 . 2 . . . . 56 ARG HB2 . 6620 1 402 . 1 1 61 61 ARG HG2 H 1 1.916 0.020 . 2 . . . . 56 ARG HG2 . 6620 1 403 . 1 1 61 61 ARG HG3 H 1 1.666 0.020 . 2 . . . . 56 ARG HG3 . 6620 1 404 . 1 1 61 61 ARG HD2 H 1 3.250 0.020 . 1 . . . . 56 ARG HD2 . 6620 1 405 . 1 1 61 61 ARG HD3 H 1 3.250 0.020 . 1 . . . . 56 ARG HD3 . 6620 1 406 . 1 1 61 61 ARG CA C 13 58.874 0.150 . 1 . . . . 56 ARG CA . 6620 1 407 . 1 1 61 61 ARG CB C 13 30.438 0.150 . 1 . . . . 56 ARG CB . 6620 1 408 . 1 1 61 61 ARG CG C 13 28.278 0.150 . 1 . . . . 56 ARG CG . 6620 1 409 . 1 1 61 61 ARG CD C 13 44.132 0.150 . 1 . . . . 56 ARG CD . 6620 1 410 . 1 1 61 61 ARG N N 15 116.844 0.150 . 1 . . . . 56 ARG N . 6620 1 411 . 1 1 62 62 GLU H H 1 7.274 0.020 . 1 . . . . 57 GLU HN . 6620 1 412 . 1 1 62 62 GLU HA H 1 4.262 0.020 . 1 . . . . 57 GLU HA . 6620 1 413 . 1 1 62 62 GLU HB2 H 1 2.038 0.020 . 2 . . . . 57 GLU HB2 . 6620 1 414 . 1 1 62 62 GLU HG2 H 1 2.239 0.020 . 1 . . . . 57 GLU HG2 . 6620 1 415 . 1 1 62 62 GLU HG3 H 1 2.239 0.020 . 1 . . . . 57 GLU HG3 . 6620 1 416 . 1 1 62 62 GLU CA C 13 57.700 0.150 . 1 . . . . 57 GLU CA . 6620 1 417 . 1 1 62 62 GLU CB C 13 30.578 0.150 . 1 . . . . 57 GLU CB . 6620 1 418 . 1 1 62 62 GLU CG C 13 36.691 0.150 . 1 . . . . 57 GLU CG . 6620 1 419 . 1 1 62 62 GLU N N 15 117.101 0.150 . 1 . . . . 57 GLU N . 6620 1 420 . 1 1 63 63 ALA H H 1 8.326 0.020 . 1 . . . . 58 ALA HN . 6620 1 421 . 1 1 63 63 ALA HA H 1 4.006 0.020 . 1 . . . . 58 ALA HA . 6620 1 422 . 1 1 63 63 ALA HB1 H 1 1.222 0.020 . 1 . . . . 58 ALA HB . 6620 1 423 . 1 1 63 63 ALA HB2 H 1 1.222 0.020 . 1 . . . . 58 ALA HB . 6620 1 424 . 1 1 63 63 ALA HB3 H 1 1.222 0.020 . 1 . . . . 58 ALA HB . 6620 1 425 . 1 1 63 63 ALA CA C 13 55.614 0.150 . 1 . . . . 58 ALA CA . 6620 1 426 . 1 1 63 63 ALA CB C 13 21.233 0.150 . 1 . . . . 58 ALA CB . 6620 1 427 . 1 1 63 63 ALA N N 15 120.441 0.150 . 1 . . . . 58 ALA N . 6620 1 428 . 1 1 64 64 MET H H 1 8.152 0.020 . 1 . . . . 59 MET HN . 6620 1 429 . 1 1 64 64 MET HA H 1 4.559 0.020 . 1 . . . . 59 MET HA . 6620 1 430 . 1 1 64 64 MET HB2 H 1 2.232 0.020 . 2 . . . . 59 MET HB2 . 6620 1 431 . 1 1 64 64 MET CA C 13 58.369 0.150 . 1 . . . . 59 MET CA . 6620 1 432 . 1 1 64 64 MET CB C 13 28.607 0.150 . 1 . . . . 59 MET CB . 6620 1 433 . 1 1 64 64 MET N N 15 115.046 0.150 . 1 . . . . 59 MET N . 6620 1 434 . 1 1 65 65 PRO HA H 1 4.233 0.020 . 1 . . . . 60 PRO HA . 6620 1 435 . 1 1 65 65 PRO HB2 H 1 2.363 0.020 . 2 . . . . 60 PRO HB2 . 6620 1 436 . 1 1 65 65 PRO HB3 H 1 1.740 0.020 . 2 . . . . 60 PRO HB3 . 6620 1 437 . 1 1 65 65 PRO HG2 H 1 2.218 0.020 . 2 . . . . 60 PRO HG2 . 6620 1 438 . 1 1 65 65 PRO HG3 H 1 1.907 0.020 . 2 . . . . 60 PRO HG3 . 6620 1 439 . 1 1 65 65 PRO HD2 H 1 3.400 0.020 . 2 . . . . 60 PRO HD2 . 6620 1 440 . 1 1 65 65 PRO HD3 H 1 3.556 0.020 . 2 . . . . 60 PRO HD3 . 6620 1 441 . 1 1 65 65 PRO CA C 13 66.452 0.150 . 1 . . . . 60 PRO CA . 6620 1 442 . 1 1 65 65 PRO CB C 13 31.837 0.150 . 1 . . . . 60 PRO CB . 6620 1 443 . 1 1 65 65 PRO CG C 13 28.925 0.150 . 1 . . . . 60 PRO CG . 6620 1 444 . 1 1 65 65 PRO CD C 13 51.574 0.150 . 1 . . . . 60 PRO CD . 6620 1 445 . 1 1 66 66 LYS H H 1 6.935 0.020 . 1 . . . . 61 LYS HN . 6620 1 446 . 1 1 66 66 LYS HA H 1 4.010 0.020 . 1 . . . . 61 LYS HA . 6620 1 447 . 1 1 66 66 LYS HB2 H 1 1.995 0.020 . 2 . . . . 61 LYS HB2 . 6620 1 448 . 1 1 66 66 LYS HB3 H 1 1.620 0.020 . 2 . . . . 61 LYS HB3 . 6620 1 449 . 1 1 66 66 LYS HG2 H 1 1.600 0.020 . 2 . . . . 61 LYS HG2 . 6620 1 450 . 1 1 66 66 LYS HE2 H 1 2.956 0.020 . 1 . . . . 61 LYS HE2 . 6620 1 451 . 1 1 66 66 LYS HE3 H 1 2.956 0.020 . 1 . . . . 61 LYS HE3 . 6620 1 452 . 1 1 66 66 LYS CA C 13 59.960 0.150 . 1 . . . . 61 LYS CA . 6620 1 453 . 1 1 66 66 LYS CB C 13 32.757 0.150 . 1 . . . . 61 LYS CB . 6620 1 454 . 1 1 66 66 LYS CG C 13 26.013 0.150 . 1 . . . . 61 LYS CG . 6620 1 455 . 1 1 66 66 LYS CE C 13 42.515 0.150 . 1 . . . . 61 LYS CE . 6620 1 456 . 1 1 66 66 LYS N N 15 113.950 0.150 . 1 . . . . 61 LYS N . 6620 1 457 . 1 1 67 67 ILE H H 1 7.212 0.020 . 1 . . . . 62 ILE HN . 6620 1 458 . 1 1 67 67 ILE HA H 1 3.638 0.020 . 1 . . . . 62 ILE HA . 6620 1 459 . 1 1 67 67 ILE HB H 1 2.206 0.020 . 1 . . . . 62 ILE HB . 6620 1 460 . 1 1 67 67 ILE HG12 H 1 1.309 0.020 . 2 . . . . 62 ILE HG12 . 6620 1 461 . 1 1 67 67 ILE HG13 H 1 1.506 0.020 . 2 . . . . 62 ILE HG13 . 6620 1 462 . 1 1 67 67 ILE HG21 H 1 0.223 0.020 . 1 . . . . 62 ILE HG2 . 6620 1 463 . 1 1 67 67 ILE HG22 H 1 0.223 0.020 . 1 . . . . 62 ILE HG2 . 6620 1 464 . 1 1 67 67 ILE HG23 H 1 0.223 0.020 . 1 . . . . 62 ILE HG2 . 6620 1 465 . 1 1 67 67 ILE HD11 H 1 0.518 0.020 . 1 . . . . 62 ILE HD1 . 6620 1 466 . 1 1 67 67 ILE HD12 H 1 0.518 0.020 . 1 . . . . 62 ILE HD1 . 6620 1 467 . 1 1 67 67 ILE HD13 H 1 0.518 0.020 . 1 . . . . 62 ILE HD1 . 6620 1 468 . 1 1 67 67 ILE CA C 13 61.928 0.150 . 1 . . . . 62 ILE CA . 6620 1 469 . 1 1 67 67 ILE CB C 13 35.924 0.150 . 1 . . . . 62 ILE CB . 6620 1 470 . 1 1 67 67 ILE CG1 C 13 27.307 0.150 . 1 . . . . 62 ILE CG1 . 6620 1 471 . 1 1 67 67 ILE CG2 C 13 16.959 0.150 . 1 . . . . 62 ILE CG2 . 6620 1 472 . 1 1 67 67 ILE CD1 C 13 9.517 0.150 . 1 . . . . 62 ILE CD1 . 6620 1 473 . 1 1 67 67 ILE N N 15 120.184 0.150 . 1 . . . . 62 ILE N . 6620 1 474 . 1 1 68 68 MET H H 1 8.003 0.020 . 1 . . . . 63 MET HN . 6620 1 475 . 1 1 68 68 MET HA H 1 4.123 0.020 . 1 . . . . 63 MET HA . 6620 1 476 . 1 1 68 68 MET HB2 H 1 2.517 0.020 . 1 . . . . 63 MET HB2 . 6620 1 477 . 1 1 68 68 MET HB3 H 1 2.517 0.020 . 1 . . . . 63 MET HB3 . 6620 1 478 . 1 1 68 68 MET HG2 H 1 2.696 0.020 . 1 . . . . 63 MET HG2 . 6620 1 479 . 1 1 68 68 MET HG3 H 1 2.696 0.020 . 1 . . . . 63 MET HG3 . 6620 1 480 . 1 1 68 68 MET CA C 13 57.476 0.150 . 1 . . . . 63 MET CA . 6620 1 481 . 1 1 68 68 MET CB C 13 32.484 0.150 . 1 . . . . 63 MET CB . 6620 1 482 . 1 1 68 68 MET CG C 13 32.161 0.150 . 1 . . . . 63 MET CG . 6620 1 483 . 1 1 68 68 MET N N 15 116.370 0.150 . 1 . . . . 63 MET N . 6620 1 484 . 1 1 69 69 LYS H H 1 8.236 0.020 . 1 . . . . 64 LYS HN . 6620 1 485 . 1 1 69 69 LYS HA H 1 4.018 0.020 . 1 . . . . 64 LYS HA . 6620 1 486 . 1 1 69 69 LYS HB2 H 1 1.892 0.020 . 2 . . . . 64 LYS HB2 . 6620 1 487 . 1 1 69 69 LYS HG2 H 1 1.388 0.020 . 1 . . . . 64 LYS HG2 . 6620 1 488 . 1 1 69 69 LYS HG3 H 1 1.388 0.020 . 1 . . . . 64 LYS HG3 . 6620 1 489 . 1 1 69 69 LYS HD2 H 1 1.650 0.020 . 1 . . . . 64 LYS HD2 . 6620 1 490 . 1 1 69 69 LYS HD3 H 1 1.650 0.020 . 1 . . . . 64 LYS HD3 . 6620 1 491 . 1 1 69 69 LYS HE2 H 1 2.917 0.020 . 1 . . . . 64 LYS HE2 . 6620 1 492 . 1 1 69 69 LYS HE3 H 1 2.917 0.020 . 1 . . . . 64 LYS HE3 . 6620 1 493 . 1 1 69 69 LYS CA C 13 59.725 0.150 . 1 . . . . 64 LYS CA . 6620 1 494 . 1 1 69 69 LYS CB C 13 32.161 0.150 . 1 . . . . 64 LYS CB . 6620 1 495 . 1 1 69 69 LYS CG C 13 26.013 0.150 . 1 . . . . 64 LYS CG . 6620 1 496 . 1 1 69 69 LYS CD C 13 29.572 0.150 . 1 . . . . 64 LYS CD . 6620 1 497 . 1 1 69 69 LYS CE C 13 42.515 0.150 . 1 . . . . 64 LYS CE . 6620 1 498 . 1 1 69 69 LYS N N 15 120.134 0.150 . 1 . . . . 64 LYS N . 6620 1 499 . 1 1 70 70 TYR H H 1 7.438 0.020 . 1 . . . . 65 TYR HN . 6620 1 500 . 1 1 70 70 TYR HA H 1 4.491 0.020 . 1 . . . . 65 TYR HA . 6620 1 501 . 1 1 70 70 TYR HB2 H 1 3.150 0.020 . 2 . . . . 65 TYR HB2 . 6620 1 502 . 1 1 70 70 TYR HB3 H 1 3.344 0.020 . 2 . . . . 65 TYR HB3 . 6620 1 503 . 1 1 70 70 TYR HD1 H 1 6.967 0.020 . 1 . . . . 65 TYR HD1 . 6620 1 504 . 1 1 70 70 TYR HD2 H 1 6.967 0.020 . 1 . . . . 65 TYR HD2 . 6620 1 505 . 1 1 70 70 TYR HE1 H 1 6.330 0.020 . 1 . . . . 65 TYR HE1 . 6620 1 506 . 1 1 70 70 TYR HE2 H 1 6.330 0.020 . 1 . . . . 65 TYR HE2 . 6620 1 507 . 1 1 70 70 TYR CA C 13 61.605 0.150 . 1 . . . . 65 TYR CA . 6620 1 508 . 1 1 70 70 TYR CB C 13 37.839 0.150 . 1 . . . . 65 TYR CB . 6620 1 509 . 1 1 70 70 TYR CD1 C 13 132.982 0.150 . 3 . . . . 65 TYR CD1 . 6620 1 510 . 1 1 70 70 TYR CE1 C 13 117.941 0.150 . 3 . . . . 65 TYR CE1 . 6620 1 511 . 1 1 70 70 TYR N N 15 122.703 0.150 . 1 . . . . 65 TYR N . 6620 1 512 . 1 1 71 71 VAL H H 1 7.952 0.020 . 1 . . . . 66 VAL HN . 6620 1 513 . 1 1 71 71 VAL HA H 1 3.651 0.020 . 1 . . . . 66 VAL HA . 6620 1 514 . 1 1 71 71 VAL HB H 1 2.315 0.020 . 1 . . . . 66 VAL HB . 6620 1 515 . 1 1 71 71 VAL HG11 H 1 0.867 0.020 . 2 . . . . 66 VAL HG1 . 6620 1 516 . 1 1 71 71 VAL HG12 H 1 0.867 0.020 . 2 . . . . 66 VAL HG1 . 6620 1 517 . 1 1 71 71 VAL HG13 H 1 0.867 0.020 . 2 . . . . 66 VAL HG1 . 6620 1 518 . 1 1 71 71 VAL HG21 H 1 0.836 0.020 . 2 . . . . 66 VAL HG2 . 6620 1 519 . 1 1 71 71 VAL HG22 H 1 0.836 0.020 . 2 . . . . 66 VAL HG2 . 6620 1 520 . 1 1 71 71 VAL HG23 H 1 0.836 0.020 . 2 . . . . 66 VAL HG2 . 6620 1 521 . 1 1 71 71 VAL CA C 13 64.187 0.150 . 1 . . . . 66 VAL CA . 6620 1 522 . 1 1 71 71 VAL CB C 13 31.514 0.150 . 1 . . . . 66 VAL CB . 6620 1 523 . 1 1 71 71 VAL CG1 C 13 22.460 0.150 . 1 . . . . 66 VAL CG1 . 6620 1 524 . 1 1 71 71 VAL CG2 C 13 21.165 0.150 . 1 . . . . 66 VAL CG2 . 6620 1 525 . 1 1 71 71 VAL N N 15 113.247 0.150 . 1 . . . . 66 VAL N . 6620 1 526 . 1 1 72 72 GLY H H 1 7.609 0.020 . 1 . . . . 67 GLY HN . 6620 1 527 . 1 1 72 72 GLY HA2 H 1 4.241 0.020 . 2 . . . . 67 GLY HA1 . 6620 1 528 . 1 1 72 72 GLY HA3 H 1 3.680 0.020 . 2 . . . . 67 GLY HA2 . 6620 1 529 . 1 1 72 72 GLY CA C 13 45.427 0.150 . 1 . . . . 67 GLY CA . 6620 1 530 . 1 1 72 72 GLY N N 15 107.031 0.150 . 1 . . . . 67 GLY N . 6620 1 531 . 1 1 73 73 GLY H H 1 6.865 0.020 . 1 . . . . 68 GLY HN . 6620 1 532 . 1 1 73 73 GLY HA2 H 1 4.369 0.020 . 2 . . . . 68 GLY HA1 . 6620 1 533 . 1 1 73 73 GLY HA3 H 1 3.182 0.020 . 2 . . . . 68 GLY HA2 . 6620 1 534 . 1 1 73 73 GLY CA C 13 44.824 0.150 . 1 . . . . 68 GLY CA . 6620 1 535 . 1 1 73 73 GLY N N 15 105.283 0.150 . 1 . . . . 68 GLY N . 6620 1 536 . 1 1 74 74 THR H H 1 8.548 0.020 . 1 . . . . 69 THR HN . 6620 1 537 . 1 1 74 74 THR HA H 1 4.480 0.020 . 1 . . . . 69 THR HA . 6620 1 538 . 1 1 74 74 THR HB H 1 3.900 0.020 . 1 . . . . 69 THR HB . 6620 1 539 . 1 1 74 74 THR HG21 H 1 1.308 0.020 . 1 . . . . 69 THR HG2 . 6620 1 540 . 1 1 74 74 THR HG22 H 1 1.308 0.020 . 1 . . . . 69 THR HG2 . 6620 1 541 . 1 1 74 74 THR HG23 H 1 1.308 0.020 . 1 . . . . 69 THR HG2 . 6620 1 542 . 1 1 74 74 THR CA C 13 61.605 0.150 . 1 . . . . 69 THR CA . 6620 1 543 . 1 1 74 74 THR CB C 13 66.458 0.150 . 1 . . . . 69 THR CB . 6620 1 544 . 1 1 74 74 THR CG2 C 13 22.777 0.150 . 1 . . . . 69 THR CG2 . 6620 1 545 . 1 1 74 74 THR N N 15 122.239 0.150 . 1 . . . . 69 THR N . 6620 1 546 . 1 1 75 75 ASN H H 1 8.294 0.020 . 1 . . . . 70 ASN HN . 6620 1 547 . 1 1 75 75 ASN HA H 1 5.167 0.020 . 1 . . . . 70 ASN HA . 6620 1 548 . 1 1 75 75 ASN HB2 H 1 2.916 0.020 . 2 . . . . 70 ASN HB2 . 6620 1 549 . 1 1 75 75 ASN HB3 H 1 2.591 0.020 . 2 . . . . 70 ASN HB3 . 6620 1 550 . 1 1 75 75 ASN CA C 13 52.545 0.150 . 1 . . . . 70 ASN CA . 6620 1 551 . 1 1 75 75 ASN CB C 13 42.341 0.150 . 1 . . . . 70 ASN CB . 6620 1 552 . 1 1 75 75 ASN N N 15 121.212 0.150 . 1 . . . . 70 ASN N . 6620 1 553 . 1 1 76 76 ASP H H 1 9.309 0.020 . 1 . . . . 71 ASP HN . 6620 1 554 . 1 1 76 76 ASP HA H 1 4.256 0.020 . 1 . . . . 71 ASP HA . 6620 1 555 . 1 1 76 76 ASP HB2 H 1 2.815 0.020 . 2 . . . . 71 ASP HB2 . 6620 1 556 . 1 1 76 76 ASP HB3 H 1 2.943 0.020 . 2 . . . . 71 ASP HB3 . 6620 1 557 . 1 1 76 76 ASP CA C 13 57.398 0.150 . 1 . . . . 71 ASP CA . 6620 1 558 . 1 1 76 76 ASP CB C 13 40.711 0.150 . 1 . . . . 71 ASP CB . 6620 1 559 . 1 1 76 76 ASP N N 15 120.441 0.150 . 1 . . . . 71 ASP N . 6620 1 560 . 1 1 77 77 LYS H H 1 7.666 0.020 . 1 . . . . 72 LYS HN . 6620 1 561 . 1 1 77 77 LYS HA H 1 4.539 0.020 . 1 . . . . 72 LYS HA . 6620 1 562 . 1 1 77 77 LYS HB2 H 1 2.020 0.020 . 2 . . . . 72 LYS HB2 . 6620 1 563 . 1 1 77 77 LYS HB3 H 1 1.563 0.020 . 2 . . . . 72 LYS HB3 . 6620 1 564 . 1 1 77 77 LYS HG2 H 1 1.588 0.020 . 1 . . . . 72 LYS HG2 . 6620 1 565 . 1 1 77 77 LYS HG3 H 1 1.588 0.020 . 1 . . . . 72 LYS HG3 . 6620 1 566 . 1 1 77 77 LYS HD2 H 1 1.658 0.020 . 1 . . . . 72 LYS HD2 . 6620 1 567 . 1 1 77 77 LYS HD3 H 1 1.658 0.020 . 1 . . . . 72 LYS HD3 . 6620 1 568 . 1 1 77 77 LYS HE2 H 1 2.990 0.020 . 1 . . . . 72 LYS HE2 . 6620 1 569 . 1 1 77 77 LYS HE3 H 1 2.990 0.020 . 1 . . . . 72 LYS HE3 . 6620 1 570 . 1 1 77 77 LYS CA C 13 54.810 0.150 . 1 . . . . 72 LYS CA . 6620 1 571 . 1 1 77 77 LYS CB C 13 34.102 0.150 . 1 . . . . 72 LYS CB . 6620 1 572 . 1 1 77 77 LYS CG C 13 24.719 0.150 . 1 . . . . 72 LYS CG . 6620 1 573 . 1 1 77 77 LYS CE C 13 42.515 0.150 . 1 . . . . 72 LYS CE . 6620 1 574 . 1 1 77 77 LYS N N 15 117.872 0.150 . 1 . . . . 72 LYS N . 6620 1 575 . 1 1 78 78 GLY H H 1 7.931 0.020 . 1 . . . . 73 GLY HN . 6620 1 576 . 1 1 78 78 GLY HA2 H 1 4.258 0.020 . 2 . . . . 73 GLY HA1 . 6620 1 577 . 1 1 78 78 GLY HA3 H 1 3.865 0.020 . 2 . . . . 73 GLY HA2 . 6620 1 578 . 1 1 78 78 GLY CA C 13 46.721 0.150 . 1 . . . . 73 GLY CA . 6620 1 579 . 1 1 78 78 GLY N N 15 112.477 0.150 . 1 . . . . 73 GLY N . 6620 1 580 . 1 1 79 79 VAL H H 1 7.675 0.020 . 1 . . . . 74 VAL HN . 6620 1 581 . 1 1 79 79 VAL HA H 1 4.348 0.020 . 1 . . . . 74 VAL HA . 6620 1 582 . 1 1 79 79 VAL HB H 1 1.798 0.020 . 1 . . . . 74 VAL HB . 6620 1 583 . 1 1 79 79 VAL HG11 H 1 0.858 0.020 . 2 . . . . 74 VAL HG1 . 6620 1 584 . 1 1 79 79 VAL HG12 H 1 0.858 0.020 . 2 . . . . 74 VAL HG1 . 6620 1 585 . 1 1 79 79 VAL HG13 H 1 0.858 0.020 . 2 . . . . 74 VAL HG1 . 6620 1 586 . 1 1 79 79 VAL HG21 H 1 0.701 0.020 . 2 . . . . 74 VAL HG2 . 6620 1 587 . 1 1 79 79 VAL HG22 H 1 0.701 0.020 . 2 . . . . 74 VAL HG2 . 6620 1 588 . 1 1 79 79 VAL HG23 H 1 0.701 0.020 . 2 . . . . 74 VAL HG2 . 6620 1 589 . 1 1 79 79 VAL CA C 13 60.310 0.150 . 1 . . . . 74 VAL CA . 6620 1 590 . 1 1 79 79 VAL CB C 13 34.980 0.150 . 1 . . . . 74 VAL CB . 6620 1 591 . 1 1 79 79 VAL CG1 C 13 21.165 0.150 . 1 . . . . 74 VAL CG1 . 6620 1 592 . 1 1 79 79 VAL CG2 C 13 21.165 0.150 . 1 . . . . 74 VAL CG2 . 6620 1 593 . 1 1 79 79 VAL N N 15 115.816 0.150 . 1 . . . . 74 VAL N . 6620 1 594 . 1 1 80 80 GLY H H 1 8.484 0.020 . 1 . . . . 75 GLY HN . 6620 1 595 . 1 1 80 80 GLY HA2 H 1 4.222 0.020 . 2 . . . . 75 GLY HA1 . 6620 1 596 . 1 1 80 80 GLY HA3 H 1 3.387 0.020 . 2 . . . . 75 GLY HA2 . 6620 1 597 . 1 1 80 80 GLY CA C 13 44.780 0.150 . 1 . . . . 75 GLY CA . 6620 1 598 . 1 1 80 80 GLY N N 15 113.761 0.150 . 1 . . . . 75 GLY N . 6620 1 599 . 1 1 81 81 MET H H 1 8.772 0.020 . 1 . . . . 76 MET HN . 6620 1 600 . 1 1 81 81 MET HA H 1 4.242 0.020 . 1 . . . . 76 MET HA . 6620 1 601 . 1 1 81 81 MET HB2 H 1 2.025 0.020 . 2 . . . . 76 MET HB2 . 6620 1 602 . 1 1 81 81 MET CA C 13 55.640 0.150 . 1 . . . . 76 MET CA . 6620 1 603 . 1 1 81 81 MET CB C 13 36.367 0.150 . 1 . . . . 76 MET CB . 6620 1 604 . 1 1 81 81 MET N N 15 122.496 0.150 . 1 . . . . 76 MET N . 6620 1 605 . 1 1 82 82 GLY H H 1 7.924 0.020 . 1 . . . . 77 GLY HN . 6620 1 606 . 1 1 82 82 GLY HA2 H 1 4.084 0.020 . 2 . . . . 77 GLY HA1 . 6620 1 607 . 1 1 82 82 GLY HA3 H 1 3.771 0.020 . 2 . . . . 77 GLY HA2 . 6620 1 608 . 1 1 82 82 GLY CA C 13 44.780 0.150 . 1 . . . . 77 GLY CA . 6620 1 609 . 1 1 82 82 GLY N N 15 106.517 0.150 . 1 . . . . 77 GLY N . 6620 1 610 . 1 1 83 83 MET H H 1 7.846 0.020 . 1 . . . . 78 MET HN . 6620 1 611 . 1 1 83 83 MET HA H 1 4.961 0.020 . 1 . . . . 78 MET HA . 6620 1 612 . 1 1 83 83 MET HB2 H 1 1.748 0.020 . 2 . . . . 78 MET HB2 . 6620 1 613 . 1 1 83 83 MET CA C 13 54.163 0.150 . 1 . . . . 78 MET CA . 6620 1 614 . 1 1 83 83 MET CB C 13 34.501 0.150 . 1 . . . . 78 MET CB . 6620 1 615 . 1 1 83 83 MET N N 15 113.110 0.150 . 1 . . . . 78 MET N . 6620 1 616 . 1 1 84 84 THR H H 1 8.549 0.020 . 1 . . . . 79 THR HN . 6620 1 617 . 1 1 84 84 THR HA H 1 5.026 0.020 . 1 . . . . 79 THR HA . 6620 1 618 . 1 1 84 84 THR HB H 1 3.805 0.020 . 1 . . . . 79 THR HB . 6620 1 619 . 1 1 84 84 THR HG21 H 1 1.031 0.020 . 1 . . . . 79 THR HG2 . 6620 1 620 . 1 1 84 84 THR HG22 H 1 1.031 0.020 . 1 . . . . 79 THR HG2 . 6620 1 621 . 1 1 84 84 THR HG23 H 1 1.031 0.020 . 1 . . . . 79 THR HG2 . 6620 1 622 . 1 1 84 84 THR CA C 13 61.383 0.150 . 1 . . . . 79 THR CA . 6620 1 623 . 1 1 84 84 THR CB C 13 69.730 0.150 . 1 . . . . 79 THR CB . 6620 1 624 . 1 1 84 84 THR CG2 C 13 22.136 0.150 . 1 . . . . 79 THR CG2 . 6620 1 625 . 1 1 84 84 THR N N 15 118.078 0.150 . 1 . . . . 79 THR N . 6620 1 626 . 1 1 86 86 PRO HA H 1 4.594 0.020 . 1 . . . . 81 PRO HA . 6620 1 627 . 1 1 86 86 PRO HB2 H 1 2.361 0.020 . 2 . . . . 81 PRO HB2 . 6620 1 628 . 1 1 86 86 PRO HB3 H 1 2.013 0.020 . 2 . . . . 81 PRO HB3 . 6620 1 629 . 1 1 86 86 PRO HD2 H 1 3.899 0.020 . 2 . . . . 81 PRO HD2 . 6620 1 630 . 1 1 86 86 PRO HD3 H 1 3.664 0.020 . 2 . . . . 81 PRO HD3 . 6620 1 631 . 1 1 86 86 PRO CA C 13 63.223 0.150 . 1 . . . . 81 PRO CA . 6620 1 632 . 1 1 86 86 PRO CB C 13 31.514 0.150 . 1 . . . . 81 PRO CB . 6620 1 633 . 1 1 86 86 PRO CD C 13 51.574 0.150 . 1 . . . . 81 PRO CD . 6620 1 634 . 1 1 87 87 VAL H H 1 8.447 0.020 . 1 . . . . 82 VAL HN . 6620 1 635 . 1 1 87 87 VAL HA H 1 4.647 0.020 . 1 . . . . 82 VAL HA . 6620 1 636 . 1 1 87 87 VAL HB H 1 2.296 0.020 . 1 . . . . 82 VAL HB . 6620 1 637 . 1 1 87 87 VAL HG11 H 1 1.309 0.020 . 2 . . . . 82 VAL HG1 . 6620 1 638 . 1 1 87 87 VAL HG12 H 1 1.309 0.020 . 2 . . . . 82 VAL HG1 . 6620 1 639 . 1 1 87 87 VAL HG13 H 1 1.309 0.020 . 2 . . . . 82 VAL HG1 . 6620 1 640 . 1 1 87 87 VAL HG21 H 1 1.365 0.020 . 2 . . . . 82 VAL HG2 . 6620 1 641 . 1 1 87 87 VAL HG22 H 1 1.365 0.020 . 2 . . . . 82 VAL HG2 . 6620 1 642 . 1 1 87 87 VAL HG23 H 1 1.365 0.020 . 2 . . . . 82 VAL HG2 . 6620 1 643 . 1 1 87 87 VAL CA C 13 63.546 0.150 . 1 . . . . 82 VAL CA . 6620 1 644 . 1 1 87 87 VAL CB C 13 32.808 0.150 . 1 . . . . 82 VAL CB . 6620 1 645 . 1 1 87 87 VAL CG1 C 13 22.136 0.150 . 1 . . . . 82 VAL CG1 . 6620 1 646 . 1 1 87 87 VAL CG2 C 13 22.777 0.150 . 1 . . . . 82 VAL CG2 . 6620 1 647 . 1 1 87 87 VAL N N 15 118.903 0.150 . 1 . . . . 82 VAL N . 6620 1 648 . 1 1 88 88 SER H H 1 7.615 0.020 . 1 . . . . 83 SER HN . 6620 1 649 . 1 1 88 88 SER HA H 1 5.848 0.020 . 1 . . . . 83 SER HA . 6620 1 650 . 1 1 88 88 SER HB2 H 1 3.636 0.020 . 2 . . . . 83 SER HB2 . 6620 1 651 . 1 1 88 88 SER HB3 H 1 3.445 0.020 . 2 . . . . 83 SER HB3 . 6620 1 652 . 1 1 88 88 SER CA C 13 56.428 0.150 . 1 . . . . 83 SER CA . 6620 1 653 . 1 1 88 88 SER CB C 13 70.335 0.150 . 1 . . . . 83 SER CB . 6620 1 654 . 1 1 88 88 SER N N 15 120.740 0.150 . 1 . . . . 83 SER N . 6620 1 655 . 1 1 89 89 PHE H H 1 9.114 0.020 . 1 . . . . 84 PHE HN . 6620 1 656 . 1 1 89 89 PHE HA H 1 5.757 0.020 . 1 . . . . 84 PHE HA . 6620 1 657 . 1 1 89 89 PHE HB2 H 1 3.231 0.020 . 2 . . . . 84 PHE HB2 . 6620 1 658 . 1 1 89 89 PHE HB3 H 1 2.700 0.020 . 2 . . . . 84 PHE HB3 . 6620 1 659 . 1 1 89 89 PHE HD1 H 1 6.714 0.020 . 1 . . . . 84 PHE HD1 . 6620 1 660 . 1 1 89 89 PHE HD2 H 1 6.714 0.020 . 1 . . . . 84 PHE HD2 . 6620 1 661 . 1 1 89 89 PHE HZ H 1 6.823 0.020 . 1 . . . . 84 PHE HZ . 6620 1 662 . 1 1 89 89 PHE CA C 13 55.884 0.150 . 1 . . . . 84 PHE CA . 6620 1 663 . 1 1 89 89 PHE CB C 13 40.673 0.150 . 1 . . . . 84 PHE CB . 6620 1 664 . 1 1 89 89 PHE CD1 C 13 133.604 0.150 . 3 . . . . 84 PHE CD1 . 6620 1 665 . 1 1 89 89 PHE CZ C 13 130.952 0.150 . 1 . . . . 84 PHE CZ . 6620 1 666 . 1 1 89 89 PHE N N 15 115.816 0.150 . 1 . . . . 84 PHE N . 6620 1 667 . 1 1 90 90 ALA H H 1 9.997 0.020 . 1 . . . . 85 ALA HN . 6620 1 668 . 1 1 90 90 ALA HA H 1 4.288 0.020 . 1 . . . . 85 ALA HA . 6620 1 669 . 1 1 90 90 ALA HB1 H 1 1.215 0.020 . 1 . . . . 85 ALA HB . 6620 1 670 . 1 1 90 90 ALA HB2 H 1 1.215 0.020 . 1 . . . . 85 ALA HB . 6620 1 671 . 1 1 90 90 ALA HB3 H 1 1.215 0.020 . 1 . . . . 85 ALA HB . 6620 1 672 . 1 1 90 90 ALA CA C 13 51.574 0.150 . 1 . . . . 85 ALA CA . 6620 1 673 . 1 1 90 90 ALA CB C 13 21.483 0.150 . 1 . . . . 85 ALA CB . 6620 1 674 . 1 1 90 90 ALA N N 15 127.762 0.150 . 1 . . . . 85 ALA N . 6620 1 675 . 1 1 91 91 VAL H H 1 7.918 0.020 . 1 . . . . 86 VAL HN . 6620 1 676 . 1 1 91 91 VAL HA H 1 4.452 0.020 . 1 . . . . 86 VAL HA . 6620 1 677 . 1 1 91 91 VAL HB H 1 2.117 0.020 . 1 . . . . 86 VAL HB . 6620 1 678 . 1 1 91 91 VAL HG11 H 1 -0.374 0.020 . 2 . . . . 86 VAL HG1 . 6620 1 679 . 1 1 91 91 VAL HG12 H 1 -0.374 0.020 . 2 . . . . 86 VAL HG1 . 6620 1 680 . 1 1 91 91 VAL HG13 H 1 -0.374 0.020 . 2 . . . . 86 VAL HG1 . 6620 1 681 . 1 1 91 91 VAL HG21 H 1 0.871 0.020 . 2 . . . . 86 VAL HG2 . 6620 1 682 . 1 1 91 91 VAL HG22 H 1 0.871 0.020 . 2 . . . . 86 VAL HG2 . 6620 1 683 . 1 1 91 91 VAL HG23 H 1 0.871 0.020 . 2 . . . . 86 VAL HG2 . 6620 1 684 . 1 1 91 91 VAL CA C 13 59.300 0.150 . 1 . . . . 86 VAL CA . 6620 1 685 . 1 1 91 91 VAL CB C 13 34.426 0.150 . 1 . . . . 86 VAL CB . 6620 1 686 . 1 1 91 91 VAL CG1 C 13 18.253 0.150 . 1 . . . . 86 VAL CG1 . 6620 1 687 . 1 1 91 91 VAL CG2 C 13 23.101 0.150 . 1 . . . . 86 VAL CG2 . 6620 1 688 . 1 1 91 91 VAL N N 15 111.963 0.150 . 1 . . . . 86 VAL N . 6620 1 689 . 1 1 92 92 PHE H H 1 9.080 0.020 . 1 . . . . 87 PHE HN . 6620 1 690 . 1 1 92 92 PHE HA H 1 5.046 0.020 . 1 . . . . 87 PHE HA . 6620 1 691 . 1 1 92 92 PHE HB2 H 1 2.726 0.020 . 2 . . . . 87 PHE HB2 . 6620 1 692 . 1 1 92 92 PHE HB3 H 1 2.970 0.020 . 2 . . . . 87 PHE HB3 . 6620 1 693 . 1 1 92 92 PHE HD1 H 1 7.240 0.020 . 1 . . . . 87 PHE HD1 . 6620 1 694 . 1 1 92 92 PHE HD2 H 1 7.240 0.020 . 1 . . . . 87 PHE HD2 . 6620 1 695 . 1 1 92 92 PHE HE1 H 1 7.049 0.020 . 1 . . . . 87 PHE HE1 . 6620 1 696 . 1 1 92 92 PHE HE2 H 1 7.049 0.020 . 1 . . . . 87 PHE HE2 . 6620 1 697 . 1 1 92 92 PHE CA C 13 55.457 0.150 . 1 . . . . 87 PHE CA . 6620 1 698 . 1 1 92 92 PHE CB C 13 41.220 0.150 . 1 . . . . 87 PHE CB . 6620 1 699 . 1 1 92 92 PHE CD1 C 13 133.001 0.150 . 3 . . . . 87 PHE CD1 . 6620 1 700 . 1 1 92 92 PHE CE1 C 13 131.283 0.150 . 3 . . . . 87 PHE CE1 . 6620 1 701 . 1 1 92 92 PHE N N 15 116.844 0.150 . 1 . . . . 87 PHE N . 6620 1 702 . 1 1 93 93 PRO HA H 1 4.979 0.020 . 1 . . . . 88 PRO HA . 6620 1 703 . 1 1 93 93 PRO HB2 H 1 2.265 0.020 . 2 . . . . 88 PRO HB2 . 6620 1 704 . 1 1 93 93 PRO HG2 H 1 2.200 0.020 . 2 . . . . 88 PRO HG2 . 6620 1 705 . 1 1 93 93 PRO HG3 H 1 1.879 0.020 . 2 . . . . 88 PRO HG3 . 6620 1 706 . 1 1 93 93 PRO HD2 H 1 3.157 0.020 . 2 . . . . 88 PRO HD2 . 6620 1 707 . 1 1 93 93 PRO HD3 H 1 3.753 0.020 . 2 . . . . 88 PRO HD3 . 6620 1 708 . 1 1 93 93 PRO CA C 13 62.899 0.150 . 1 . . . . 88 PRO CA . 6620 1 709 . 1 1 93 93 PRO CB C 13 33.455 0.150 . 1 . . . . 88 PRO CB . 6620 1 710 . 1 1 93 93 PRO CG C 13 27.307 0.150 . 1 . . . . 88 PRO CG . 6620 1 711 . 1 1 93 93 PRO CD C 13 50.604 0.150 . 1 . . . . 88 PRO CD . 6620 1 712 . 1 1 94 94 ASN H H 1 9.376 0.020 . 1 . . . . 89 ASN HN . 6620 1 713 . 1 1 94 94 ASN HA H 1 4.977 0.020 . 1 . . . . 89 ASN HA . 6620 1 714 . 1 1 94 94 ASN HB2 H 1 2.819 0.020 . 2 . . . . 89 ASN HB2 . 6620 1 715 . 1 1 94 94 ASN N N 15 119.883 0.150 . 1 . . . . 89 ASN N . 6620 1 716 . 1 1 96 96 ASP H H 1 7.862 0.020 . 1 . . . . 91 ASP HN . 6620 1 717 . 1 1 96 96 ASP HA H 1 4.549 0.020 . 1 . . . . 91 ASP HA . 6620 1 718 . 1 1 96 96 ASP HB2 H 1 3.102 0.020 . 2 . . . . 91 ASP HB2 . 6620 1 719 . 1 1 96 96 ASP HB3 H 1 2.642 0.020 . 2 . . . . 91 ASP HB3 . 6620 1 720 . 1 1 96 96 ASP CA C 13 53.839 0.150 . 1 . . . . 91 ASP CA . 6620 1 721 . 1 1 96 96 ASP CB C 13 40.573 0.150 . 1 . . . . 91 ASP CB . 6620 1 722 . 1 1 96 96 ASP N N 15 115.103 0.150 . 1 . . . . 91 ASP N . 6620 1 723 . 1 1 97 97 GLY H H 1 7.976 0.020 . 1 . . . . 92 GLY HN . 6620 1 724 . 1 1 97 97 GLY HA2 H 1 4.426 0.020 . 2 . . . . 92 GLY HA1 . 6620 1 725 . 1 1 97 97 GLY HA3 H 1 3.610 0.020 . 2 . . . . 92 GLY HA2 . 6620 1 726 . 1 1 97 97 GLY CA C 13 45.427 0.150 . 1 . . . . 92 GLY CA . 6620 1 727 . 1 1 97 97 GLY N N 15 109.650 0.150 . 1 . . . . 92 GLY N . 6620 1 728 . 1 1 98 98 SER H H 1 8.109 0.020 . 1 . . . . 93 SER HN . 6620 1 729 . 1 1 98 98 SER CA C 13 58.651 0.150 . 1 . . . . 93 SER CA . 6620 1 730 . 1 1 98 98 SER CB C 13 64.733 0.150 . 1 . . . . 93 SER CB . 6620 1 731 . 1 1 98 98 SER N N 15 115.303 0.150 . 1 . . . . 93 SER N . 6620 1 732 . 1 1 99 99 LEU H H 1 8.521 0.020 . 1 . . . . 94 LEU HN . 6620 1 733 . 1 1 99 99 LEU CA C 13 56.288 0.150 . 1 . . . . 94 LEU CA . 6620 1 734 . 1 1 99 99 LEU CB C 13 42.010 0.150 . 1 . . . . 94 LEU CB . 6620 1 735 . 1 1 99 99 LEU N N 15 119.418 0.150 . 1 . . . . 94 LEU N . 6620 1 736 . 1 1 100 100 GLN H H 1 8.663 0.020 . 1 . . . . 95 GLN HN . 6620 1 737 . 1 1 100 100 GLN HA H 1 4.652 0.020 . 1 . . . . 95 GLN HA . 6620 1 738 . 1 1 100 100 GLN CA C 13 56.104 0.150 . 1 . . . . 95 GLN CA . 6620 1 739 . 1 1 100 100 GLN CB C 13 31.427 0.150 . 1 . . . . 95 GLN CB . 6620 1 740 . 1 1 100 100 GLN N N 15 119.106 0.150 . 1 . . . . 95 GLN N . 6620 1 741 . 1 1 101 101 LYS H H 1 8.100 0.020 . 1 . . . . 96 LYS HN . 6620 1 742 . 1 1 101 101 LYS HA H 1 4.850 0.020 . 1 . . . . 96 LYS HA . 6620 1 743 . 1 1 101 101 LYS HB2 H 1 1.945 0.020 . 2 . . . . 96 LYS HB2 . 6620 1 744 . 1 1 101 101 LYS HG2 H 1 2.253 0.020 . 2 . . . . 96 LYS HG2 . 6620 1 745 . 1 1 101 101 LYS CA C 13 54.475 0.150 . 1 . . . . 96 LYS CA . 6620 1 746 . 1 1 101 101 LYS CB C 13 31.168 0.150 . 1 . . . . 96 LYS CB . 6620 1 747 . 1 1 101 101 LYS N N 15 118.049 0.150 . 1 . . . . 96 LYS N . 6620 1 748 . 1 1 102 102 LYS H H 1 7.873 0.020 . 1 . . . . 97 LYS HN . 6620 1 749 . 1 1 102 102 LYS CA C 13 56.577 0.150 . 1 . . . . 97 LYS CA . 6620 1 750 . 1 1 102 102 LYS CB C 13 35.509 0.150 . 1 . . . . 97 LYS CB . 6620 1 751 . 1 1 102 102 LYS N N 15 121.595 0.150 . 1 . . . . 97 LYS N . 6620 1 752 . 1 1 103 103 LEU H H 1 8.646 0.020 . 1 . . . . 98 LEU HN . 6620 1 753 . 1 1 103 103 LEU HA H 1 5.315 0.020 . 1 . . . . 98 LEU HA . 6620 1 754 . 1 1 103 103 LEU HB2 H 1 1.771 0.020 . 2 . . . . 98 LEU HB2 . 6620 1 755 . 1 1 103 103 LEU HG H 1 1.668 0.020 . 1 . . . . 98 LEU HG . 6620 1 756 . 1 1 103 103 LEU HD11 H 1 0.802 0.020 . 2 . . . . 98 LEU HD1 . 6620 1 757 . 1 1 103 103 LEU HD12 H 1 0.802 0.020 . 2 . . . . 98 LEU HD1 . 6620 1 758 . 1 1 103 103 LEU HD13 H 1 0.802 0.020 . 2 . . . . 98 LEU HD1 . 6620 1 759 . 1 1 103 103 LEU HD21 H 1 0.584 0.020 . 2 . . . . 98 LEU HD2 . 6620 1 760 . 1 1 103 103 LEU HD22 H 1 0.584 0.020 . 2 . . . . 98 LEU HD2 . 6620 1 761 . 1 1 103 103 LEU HD23 H 1 0.584 0.020 . 2 . . . . 98 LEU HD2 . 6620 1 762 . 1 1 103 103 LEU CA C 13 55.496 0.150 . 1 . . . . 98 LEU CA . 6620 1 763 . 1 1 103 103 LEU CB C 13 47.045 0.150 . 1 . . . . 98 LEU CB . 6620 1 764 . 1 1 103 103 LEU CG C 13 26.984 0.150 . 1 . . . . 98 LEU CG . 6620 1 765 . 1 1 103 103 LEU CD1 C 13 26.984 0.150 . 1 . . . . 98 LEU CD1 . 6620 1 766 . 1 1 103 103 LEU CD2 C 13 27.631 0.150 . 1 . . . . 98 LEU CD2 . 6620 1 767 . 1 1 103 103 LEU N N 15 123.267 0.150 . 1 . . . . 98 LEU N . 6620 1 768 . 1 1 104 104 LYS H H 1 8.252 0.020 . 1 . . . . 99 LYS HN . 6620 1 769 . 1 1 104 104 LYS HA H 1 5.496 0.020 . 1 . . . . 99 LYS HA . 6620 1 770 . 1 1 104 104 LYS HB2 H 1 2.236 0.020 . 2 . . . . 99 LYS HB2 . 6620 1 771 . 1 1 104 104 LYS HB3 H 1 1.820 0.020 . 2 . . . . 99 LYS HB3 . 6620 1 772 . 1 1 104 104 LYS HG2 H 1 0.767 0.020 . 2 . . . . 99 LYS HG2 . 6620 1 773 . 1 1 104 104 LYS CA C 13 56.274 0.150 . 1 . . . . 99 LYS CA . 6620 1 774 . 1 1 104 104 LYS CB C 13 36.658 0.150 . 1 . . . . 99 LYS CB . 6620 1 775 . 1 1 104 104 LYS N N 15 124.295 0.150 . 1 . . . . 99 LYS N . 6620 1 776 . 1 1 105 105 VAL H H 1 9.367 0.020 . 1 . . . . 100 VAL HN . 6620 1 777 . 1 1 105 105 VAL HA H 1 4.370 0.020 . 1 . . . . 100 VAL HA . 6620 1 778 . 1 1 105 105 VAL HB H 1 1.940 0.020 . 1 . . . . 100 VAL HB . 6620 1 779 . 1 1 105 105 VAL HG11 H 1 1.191 0.020 . 2 . . . . 100 VAL HG1 . 6620 1 780 . 1 1 105 105 VAL HG12 H 1 1.191 0.020 . 2 . . . . 100 VAL HG1 . 6620 1 781 . 1 1 105 105 VAL HG13 H 1 1.191 0.020 . 2 . . . . 100 VAL HG1 . 6620 1 782 . 1 1 105 105 VAL HG21 H 1 0.903 0.020 . 2 . . . . 100 VAL HG2 . 6620 1 783 . 1 1 105 105 VAL HG22 H 1 0.903 0.020 . 2 . . . . 100 VAL HG2 . 6620 1 784 . 1 1 105 105 VAL HG23 H 1 0.903 0.020 . 2 . . . . 100 VAL HG2 . 6620 1 785 . 1 1 105 105 VAL CA C 13 63.847 0.150 . 1 . . . . 100 VAL CA . 6620 1 786 . 1 1 105 105 VAL CB C 13 33.765 0.150 . 1 . . . . 100 VAL CB . 6620 1 787 . 1 1 105 105 VAL CG1 C 13 21.813 0.150 . 1 . . . . 100 VAL CG1 . 6620 1 788 . 1 1 105 105 VAL CG2 C 13 23.748 0.150 . 1 . . . . 100 VAL CG2 . 6620 1 789 . 1 1 105 105 VAL N N 15 130.461 0.150 . 1 . . . . 100 VAL N . 6620 1 790 . 1 1 106 106 TRP H H 1 9.151 0.020 . 1 . . . . 101 TRP HN . 6620 1 791 . 1 1 106 106 TRP HA H 1 4.570 0.020 . 1 . . . . 101 TRP HA . 6620 1 792 . 1 1 106 106 TRP HB2 H 1 3.081 0.020 . 2 . . . . 101 TRP HB2 . 6620 1 793 . 1 1 106 106 TRP HB3 H 1 2.801 0.020 . 2 . . . . 101 TRP HB3 . 6620 1 794 . 1 1 106 106 TRP HD1 H 1 7.315 0.020 . 1 . . . . 101 TRP HD1 . 6620 1 795 . 1 1 106 106 TRP HE1 H 1 10.466 0.020 . 1 . . . . 101 TRP HE1 . 6620 1 796 . 1 1 106 106 TRP HE3 H 1 6.575 0.020 . 1 . . . . 101 TRP HE3 . 6620 1 797 . 1 1 106 106 TRP HZ2 H 1 7.543 0.020 . 1 . . . . 101 TRP HZ2 . 6620 1 798 . 1 1 106 106 TRP HZ3 H 1 6.385 0.020 . 1 . . . . 101 TRP HZ3 . 6620 1 799 . 1 1 106 106 TRP HH2 H 1 7.101 0.020 . 1 . . . . 101 TRP HH2 . 6620 1 800 . 1 1 106 106 TRP CA C 13 57.757 0.150 . 1 . . . . 101 TRP CA . 6620 1 801 . 1 1 106 106 TRP CB C 13 30.748 0.150 . 1 . . . . 101 TRP CB . 6620 1 802 . 1 1 106 106 TRP CD1 C 13 126.741 0.150 . 1 . . . . 101 TRP CD1 . 6620 1 803 . 1 1 106 106 TRP CE3 C 13 120.529 0.150 . 1 . . . . 101 TRP CE3 . 6620 1 804 . 1 1 106 106 TRP CZ2 C 13 114.318 0.150 . 1 . . . . 101 TRP CZ2 . 6620 1 805 . 1 1 106 106 TRP CZ3 C 13 121.565 0.150 . 1 . . . . 101 TRP CZ3 . 6620 1 806 . 1 1 106 106 TRP CH2 C 13 125.188 0.150 . 1 . . . . 101 TRP CH2 . 6620 1 807 . 1 1 106 106 TRP N N 15 125.836 0.150 . 1 . . . . 101 TRP N . 6620 1 808 . 1 1 106 106 TRP NE1 N 15 128.120 0.150 . 1 . . . . 101 TRP NE1 . 6620 1 809 . 1 1 107 107 PHE H H 1 8.843 0.020 . 1 . . . . 102 PHE HN . 6620 1 810 . 1 1 107 107 PHE HA H 1 5.417 0.020 . 1 . . . . 102 PHE HA . 6620 1 811 . 1 1 107 107 PHE HB2 H 1 3.648 0.020 . 2 . . . . 102 PHE HB2 . 6620 1 812 . 1 1 107 107 PHE HB3 H 1 2.817 0.020 . 2 . . . . 102 PHE HB3 . 6620 1 813 . 1 1 107 107 PHE HD1 H 1 7.231 0.020 . 1 . . . . 102 PHE HD1 . 6620 1 814 . 1 1 107 107 PHE HD2 H 1 7.231 0.020 . 1 . . . . 102 PHE HD2 . 6620 1 815 . 1 1 107 107 PHE CA C 13 55.339 0.150 . 1 . . . . 102 PHE CA . 6620 1 816 . 1 1 107 107 PHE CB C 13 41.220 0.150 . 1 . . . . 102 PHE CB . 6620 1 817 . 1 1 107 107 PHE CD1 C 13 132.725 0.150 . 3 . . . . 102 PHE CD1 . 6620 1 818 . 1 1 107 107 PHE N N 15 127.121 0.150 . 1 . . . . 102 PHE N . 6620 1 819 . 1 1 108 108 ARG H H 1 8.303 0.020 . 1 . . . . 103 ARG HN . 6620 1 820 . 1 1 108 108 ARG HA H 1 2.893 0.020 . 1 . . . . 103 ARG HA . 6620 1 821 . 1 1 108 108 ARG HB2 H 1 0.474 0.020 . 2 . . . . 103 ARG HB2 . 6620 1 822 . 1 1 108 108 ARG HB3 H 1 0.849 0.020 . 2 . . . . 103 ARG HB3 . 6620 1 823 . 1 1 108 108 ARG HG2 H 1 -0.397 0.020 . 2 . . . . 103 ARG HG2 . 6620 1 824 . 1 1 108 108 ARG HG3 H 1 -0.507 0.020 . 2 . . . . 103 ARG HG3 . 6620 1 825 . 1 1 108 108 ARG HD2 H 1 2.190 0.020 . 2 . . . . 103 ARG HD2 . 6620 1 826 . 1 1 108 108 ARG HD3 H 1 1.206 0.020 . 2 . . . . 103 ARG HD3 . 6620 1 827 . 1 1 108 108 ARG CA C 13 56.751 0.150 . 1 . . . . 103 ARG CA . 6620 1 828 . 1 1 108 108 ARG CB C 13 28.602 0.150 . 1 . . . . 103 ARG CB . 6620 1 829 . 1 1 108 108 ARG CG C 13 28.602 0.150 . 1 . . . . 103 ARG CG . 6620 1 830 . 1 1 108 108 ARG CD C 13 41.868 0.150 . 1 . . . . 103 ARG CD . 6620 1 831 . 1 1 108 108 ARG N N 15 131.488 0.150 . 1 . . . . 103 ARG N . 6620 1 832 . 1 1 109 109 ILE H H 1 7.206 0.020 . 1 . . . . 104 ILE HN . 6620 1 833 . 1 1 109 109 ILE HA H 1 3.794 0.020 . 1 . . . . 104 ILE HA . 6620 1 834 . 1 1 109 109 ILE HB H 1 1.579 0.020 . 1 . . . . 104 ILE HB . 6620 1 835 . 1 1 109 109 ILE HG12 H 1 1.366 0.020 . 1 . . . . 104 ILE HG12 . 6620 1 836 . 1 1 109 109 ILE HG13 H 1 1.366 0.020 . 1 . . . . 104 ILE HG13 . 6620 1 837 . 1 1 109 109 ILE HG21 H 1 0.970 0.020 . 1 . . . . 104 ILE HG2 . 6620 1 838 . 1 1 109 109 ILE HG22 H 1 0.970 0.020 . 1 . . . . 104 ILE HG2 . 6620 1 839 . 1 1 109 109 ILE HG23 H 1 0.970 0.020 . 1 . . . . 104 ILE HG2 . 6620 1 840 . 1 1 109 109 ILE HD11 H 1 0.971 0.020 . 1 . . . . 104 ILE HD1 . 6620 1 841 . 1 1 109 109 ILE HD12 H 1 0.971 0.020 . 1 . . . . 104 ILE HD1 . 6620 1 842 . 1 1 109 109 ILE HD13 H 1 0.971 0.020 . 1 . . . . 104 ILE HD1 . 6620 1 843 . 1 1 109 109 ILE CA C 13 58.693 0.150 . 1 . . . . 104 ILE CA . 6620 1 844 . 1 1 109 109 ILE CB C 13 37.014 0.150 . 1 . . . . 104 ILE CB . 6620 1 845 . 1 1 109 109 ILE CG1 C 13 28.925 0.150 . 1 . . . . 104 ILE CG1 . 6620 1 846 . 1 1 109 109 ILE CG2 C 13 16.959 0.150 . 1 . . . . 104 ILE CG2 . 6620 1 847 . 1 1 109 109 ILE CD1 C 13 12.106 0.150 . 1 . . . . 104 ILE CD1 . 6620 1 848 . 1 1 109 109 ILE N N 15 129.433 0.150 . 1 . . . . 104 ILE N . 6620 1 849 . 1 1 111 111 ASN H H 1 6.962 0.020 . 1 . . . . 106 ASN HN . 6620 1 850 . 1 1 111 111 ASN HA H 1 4.958 0.020 . 1 . . . . 106 ASN HA . 6620 1 851 . 1 1 111 111 ASN HB2 H 1 2.899 0.020 . 2 . . . . 106 ASN HB2 . 6620 1 852 . 1 1 111 111 ASN HB3 H 1 3.120 0.020 . 2 . . . . 106 ASN HB3 . 6620 1 853 . 1 1 111 111 ASN CA C 13 55.781 0.150 . 1 . . . . 106 ASN CA . 6620 1 854 . 1 1 111 111 ASN CB C 13 40.667 0.150 . 1 . . . . 106 ASN CB . 6620 1 855 . 1 1 111 111 ASN N N 15 116.380 0.150 . 1 . . . . 106 ASN N . 6620 1 856 . 1 1 112 112 GLN H H 1 7.805 0.020 . 1 . . . . 107 GLN HN . 6620 1 857 . 1 1 112 112 GLN HA H 1 4.386 0.020 . 1 . . . . 107 GLN HA . 6620 1 858 . 1 1 112 112 GLN HB2 H 1 2.083 0.020 . 2 . . . . 107 GLN HB2 . 6620 1 859 . 1 1 112 112 GLN CA C 13 59.232 0.150 . 1 . . . . 107 GLN CA . 6620 1 860 . 1 1 112 112 GLN CB C 13 29.004 0.150 . 1 . . . . 107 GLN CB . 6620 1 861 . 1 1 112 112 GLN N N 15 120.955 0.150 . 1 . . . . 107 GLN N . 6620 1 862 . 1 1 113 113 PHE H H 1 8.319 0.020 . 1 . . . . 108 PHE HN . 6620 1 863 . 1 1 113 113 PHE CA C 13 58.168 0.150 . 1 . . . . 108 PHE CA . 6620 1 864 . 1 1 113 113 PHE CB C 13 41.036 0.150 . 1 . . . . 108 PHE CB . 6620 1 865 . 1 1 113 113 PHE N N 15 123.524 0.150 . 1 . . . . 108 PHE N . 6620 1 866 . 1 1 114 114 GLN H H 1 8.308 0.020 . 1 . . . . 109 GLN HN . 6620 1 867 . 1 1 114 114 GLN HA H 1 3.352 0.020 . 1 . . . . 109 GLN HA . 6620 1 868 . 1 1 114 114 GLN HB2 H 1 1.893 0.020 . 2 . . . . 109 GLN HB2 . 6620 1 869 . 1 1 114 114 GLN CA C 13 61.162 0.150 . 1 . . . . 109 GLN CA . 6620 1 870 . 1 1 114 114 GLN CB C 13 26.541 0.150 . 1 . . . . 109 GLN CB . 6620 1 871 . 1 1 114 114 GLN N N 15 118.806 0.150 . 1 . . . . 109 GLN N . 6620 1 872 . 1 1 115 115 GLY H H 1 8.117 0.020 . 1 . . . . 110 GLY HN . 6620 1 873 . 1 1 115 115 GLY HA2 H 1 3.692 0.020 . 2 . . . . 110 GLY HA1 . 6620 1 874 . 1 1 115 115 GLY HA3 H 1 3.853 0.020 . 2 . . . . 110 GLY HA2 . 6620 1 875 . 1 1 115 115 GLY CA C 13 47.045 0.150 . 1 . . . . 110 GLY CA . 6620 1 876 . 1 1 115 115 GLY N N 15 115.305 0.150 . 1 . . . . 110 GLY N . 6620 1 877 . 1 1 116 116 SER H H 1 7.262 0.020 . 1 . . . . 111 SER HN . 6620 1 878 . 1 1 116 116 SER HA H 1 4.664 0.020 . 1 . . . . 111 SER HA . 6620 1 879 . 1 1 116 116 SER HB2 H 1 3.833 0.020 . 1 . . . . 111 SER HB2 . 6620 1 880 . 1 1 116 116 SER HB3 H 1 3.833 0.020 . 1 . . . . 111 SER HB3 . 6620 1 881 . 1 1 116 116 SER CA C 13 58.693 0.150 . 1 . . . . 111 SER CA . 6620 1 882 . 1 1 116 116 SER N N 15 112.277 0.150 . 1 . . . . 111 SER N . 6620 1 883 . 1 1 117 117 PRO HA H 1 4.833 0.020 . 1 . . . . 112 PRO HA . 6620 1 884 . 1 1 117 117 PRO HB2 H 1 2.261 0.020 . 2 . . . . 112 PRO HB2 . 6620 1 885 . 1 1 117 117 PRO HB3 H 1 1.923 0.020 . 2 . . . . 112 PRO HB3 . 6620 1 886 . 1 1 117 117 PRO HG2 H 1 1.995 0.020 . 2 . . . . 112 PRO HG2 . 6620 1 887 . 1 1 117 117 PRO HD2 H 1 3.635 0.020 . 2 . . . . 112 PRO HD2 . 6620 1 888 . 1 1 117 117 PRO CA C 13 61.928 0.150 . 1 . . . . 112 PRO CA . 6620 1 889 . 1 1 117 117 PRO CB C 13 30.866 0.150 . 1 . . . . 112 PRO CB . 6620 1 890 . 1 1 117 117 PRO CD C 13 49.633 0.150 . 1 . . . . 112 PRO CD . 6620 1 891 . 1 1 118 118 PRO HA H 1 4.529 0.020 . 1 . . . . 113 PRO HA . 6620 1 892 . 1 1 118 118 PRO HB2 H 1 2.107 0.020 . 2 . . . . 113 PRO HB2 . 6620 1 893 . 1 1 118 118 PRO HB3 H 1 1.646 0.020 . 2 . . . . 113 PRO HB3 . 6620 1 894 . 1 1 118 118 PRO HG2 H 1 1.471 0.020 . 2 . . . . 113 PRO HG2 . 6620 1 895 . 1 1 118 118 PRO HG3 H 1 1.652 0.020 . 2 . . . . 113 PRO HG3 . 6620 1 896 . 1 1 118 118 PRO HD2 H 1 3.890 0.020 . 2 . . . . 113 PRO HD2 . 6620 1 897 . 1 1 118 118 PRO HD3 H 1 3.394 0.020 . 2 . . . . 113 PRO HD3 . 6620 1 898 . 1 1 118 118 PRO CA C 13 62.575 0.150 . 1 . . . . 113 PRO CA . 6620 1 899 . 1 1 118 118 PRO CB C 13 32.808 0.150 . 1 . . . . 113 PRO CB . 6620 1 900 . 1 1 118 118 PRO CG C 13 28.278 0.150 . 1 . . . . 113 PRO CG . 6620 1 901 . 1 1 118 118 PRO CD C 13 50.604 0.150 . 1 . . . . 113 PRO CD . 6620 1 902 . 1 1 119 119 ALA H H 1 8.881 0.020 . 1 . . . . 114 ALA HN . 6620 1 903 . 1 1 119 119 ALA HA H 1 4.672 0.020 . 1 . . . . 114 ALA HA . 6620 1 904 . 1 1 119 119 ALA HB1 H 1 1.346 0.020 . 1 . . . . 114 ALA HB . 6620 1 905 . 1 1 119 119 ALA HB2 H 1 1.346 0.020 . 1 . . . . 114 ALA HB . 6620 1 906 . 1 1 119 119 ALA HB3 H 1 1.346 0.020 . 1 . . . . 114 ALA HB . 6620 1 907 . 1 1 119 119 ALA CA C 13 50.604 0.150 . 1 . . . . 114 ALA CA . 6620 1 908 . 1 1 119 119 ALA CB C 13 18.544 0.150 . 1 . . . . 114 ALA CB . 6620 1 909 . 1 1 119 119 ALA N N 15 129.627 0.150 . 1 . . . . 114 ALA N . 6620 1 910 . 1 1 120 120 PRO HA H 1 4.247 0.020 . 1 . . . . 115 PRO HA . 6620 1 911 . 1 1 120 120 PRO HB2 H 1 2.148 0.020 . 2 . . . . 115 PRO HB2 . 6620 1 912 . 1 1 120 120 PRO HB3 H 1 2.249 0.020 . 2 . . . . 115 PRO HB3 . 6620 1 913 . 1 1 120 120 PRO CA C 13 64.187 0.150 . 1 . . . . 115 PRO CA . 6620 1 914 . 1 1 120 120 PRO CB C 13 32.484 0.150 . 1 . . . . 115 PRO CB . 6620 1 915 . 1 1 121 121 SER H H 1 7.633 0.020 . 1 . . . . 116 SER HN . 6620 1 916 . 1 1 121 121 SER HA H 1 4.508 0.020 . 1 . . . . 116 SER HA . 6620 1 917 . 1 1 121 121 SER HB2 H 1 3.477 0.020 . 2 . . . . 116 SER HB2 . 6620 1 918 . 1 1 121 121 SER HB3 H 1 3.864 0.020 . 2 . . . . 116 SER HB3 . 6620 1 919 . 1 1 121 121 SER CA C 13 59.785 0.150 . 1 . . . . 116 SER CA . 6620 1 920 . 1 1 121 121 SER CB C 13 63.514 0.150 . 1 . . . . 116 SER CB . 6620 1 921 . 1 1 121 121 SER N N 15 119.112 0.150 . 1 . . . . 116 SER N . 6620 1 922 . 1 1 122 122 ASP H H 1 8.075 0.020 . 1 . . . . 117 ASP HN . 6620 1 923 . 1 1 122 122 ASP HA H 1 4.602 0.020 . 1 . . . . 117 ASP HA . 6620 1 924 . 1 1 122 122 ASP HB2 H 1 2.426 0.020 . 2 . . . . 117 ASP HB2 . 6620 1 925 . 1 1 122 122 ASP HB3 H 1 2.949 0.020 . 2 . . . . 117 ASP HB3 . 6620 1 926 . 1 1 122 122 ASP CA C 13 53.446 0.150 . 1 . . . . 117 ASP CA . 6620 1 927 . 1 1 122 122 ASP CB C 13 42.213 0.150 . 1 . . . . 117 ASP CB . 6620 1 928 . 1 1 122 122 ASP N N 15 123.260 0.150 . 1 . . . . 117 ASP N . 6620 1 929 . 1 1 123 123 GLU H H 1 8.627 0.020 . 1 . . . . 118 GLU HN . 6620 1 930 . 1 1 123 123 GLU HA H 1 4.133 0.020 . 1 . . . . 118 GLU HA . 6620 1 931 . 1 1 123 123 GLU HB2 H 1 2.057 0.020 . 2 . . . . 118 GLU HB2 . 6620 1 932 . 1 1 123 123 GLU HB3 H 1 2.143 0.020 . 2 . . . . 118 GLU HB3 . 6620 1 933 . 1 1 123 123 GLU HG2 H 1 2.323 0.020 . 1 . . . . 118 GLU HG2 . 6620 1 934 . 1 1 123 123 GLU HG3 H 1 2.323 0.020 . 1 . . . . 118 GLU HG3 . 6620 1 935 . 1 1 123 123 GLU CA C 13 58.693 0.150 . 1 . . . . 118 GLU CA . 6620 1 936 . 1 1 123 123 GLU CB C 13 29.588 0.150 . 1 . . . . 118 GLU CB . 6620 1 937 . 1 1 123 123 GLU CG C 13 36.691 0.150 . 1 . . . . 118 GLU CG . 6620 1 938 . 1 1 123 123 GLU N N 15 124.242 0.150 . 1 . . . . 118 GLU N . 6620 1 939 . 1 1 124 124 SER H H 1 8.916 0.020 . 1 . . . . 119 SER HN . 6620 1 940 . 1 1 124 124 SER HA H 1 4.299 0.020 . 1 . . . . 119 SER HA . 6620 1 941 . 1 1 124 124 SER HB2 H 1 4.255 0.020 . 2 . . . . 119 SER HB2 . 6620 1 942 . 1 1 124 124 SER HB3 H 1 3.858 0.020 . 2 . . . . 119 SER HB3 . 6620 1 943 . 1 1 124 124 SER CA C 13 60.409 0.150 . 1 . . . . 119 SER CA . 6620 1 944 . 1 1 124 124 SER CB C 13 64.311 0.150 . 1 . . . . 119 SER CB . 6620 1 945 . 1 1 124 124 SER N N 15 115.560 0.150 . 1 . . . . 119 SER N . 6620 1 946 . 1 1 125 125 VAL H H 1 7.838 0.020 . 1 . . . . 120 VAL HN . 6620 1 947 . 1 1 125 125 VAL HA H 1 4.508 0.020 . 1 . . . . 120 VAL HA . 6620 1 948 . 1 1 125 125 VAL HB H 1 2.006 0.020 . 1 . . . . 120 VAL HB . 6620 1 949 . 1 1 125 125 VAL HG11 H 1 0.678 0.020 . 2 . . . . 120 VAL HG1 . 6620 1 950 . 1 1 125 125 VAL HG12 H 1 0.678 0.020 . 2 . . . . 120 VAL HG1 . 6620 1 951 . 1 1 125 125 VAL HG13 H 1 0.678 0.020 . 2 . . . . 120 VAL HG1 . 6620 1 952 . 1 1 125 125 VAL HG21 H 1 0.358 0.020 . 2 . . . . 120 VAL HG2 . 6620 1 953 . 1 1 125 125 VAL HG22 H 1 0.358 0.020 . 2 . . . . 120 VAL HG2 . 6620 1 954 . 1 1 125 125 VAL HG23 H 1 0.358 0.020 . 2 . . . . 120 VAL HG2 . 6620 1 955 . 1 1 125 125 VAL CA C 13 61.140 0.150 . 1 . . . . 120 VAL CA . 6620 1 956 . 1 1 125 125 VAL CB C 13 31.837 0.150 . 1 . . . . 120 VAL CB . 6620 1 957 . 1 1 125 125 VAL CG1 C 13 21.813 0.150 . 1 . . . . 120 VAL CG1 . 6620 1 958 . 1 1 125 125 VAL CG2 C 13 21.165 0.150 . 1 . . . . 120 VAL CG2 . 6620 1 959 . 1 1 125 125 VAL N N 15 124.038 0.150 . 1 . . . . 120 VAL N . 6620 1 960 . 1 1 126 126 LYS H H 1 8.654 0.020 . 1 . . . . 121 LYS HN . 6620 1 961 . 1 1 126 126 LYS HA H 1 4.563 0.020 . 1 . . . . 121 LYS HA . 6620 1 962 . 1 1 126 126 LYS HB2 H 1 1.523 0.020 . 2 . . . . 121 LYS HB2 . 6620 1 963 . 1 1 126 126 LYS HB3 H 1 1.707 0.020 . 2 . . . . 121 LYS HB3 . 6620 1 964 . 1 1 126 126 LYS HG2 H 1 1.269 0.020 . 2 . . . . 121 LYS HG2 . 6620 1 965 . 1 1 126 126 LYS HD2 H 1 1.550 0.020 . 1 . . . . 121 LYS HD2 . 6620 1 966 . 1 1 126 126 LYS HD3 H 1 1.550 0.020 . 1 . . . . 121 LYS HD3 . 6620 1 967 . 1 1 126 126 LYS HE2 H 1 2.900 0.020 . 1 . . . . 121 LYS HE2 . 6620 1 968 . 1 1 126 126 LYS HE3 H 1 2.900 0.020 . 1 . . . . 121 LYS HE3 . 6620 1 969 . 1 1 126 126 LYS CA C 13 53.839 0.150 . 1 . . . . 121 LYS CA . 6620 1 970 . 1 1 126 126 LYS CB C 13 34.687 0.150 . 1 . . . . 121 LYS CB . 6620 1 971 . 1 1 126 126 LYS CG C 13 25.042 0.150 . 1 . . . . 121 LYS CG . 6620 1 972 . 1 1 126 126 LYS CD C 13 28.925 0.150 . 1 . . . . 121 LYS CD . 6620 1 973 . 1 1 126 126 LYS N N 15 124.808 0.150 . 1 . . . . 121 LYS N . 6620 1 974 . 1 1 127 127 ILE H H 1 8.298 0.020 . 1 . . . . 122 ILE HN . 6620 1 975 . 1 1 127 127 ILE HA H 1 5.355 0.020 . 1 . . . . 122 ILE HA . 6620 1 976 . 1 1 127 127 ILE HB H 1 2.042 0.020 . 1 . . . . 122 ILE HB . 6620 1 977 . 1 1 127 127 ILE HG12 H 1 1.416 0.020 . 2 . . . . 122 ILE HG12 . 6620 1 978 . 1 1 127 127 ILE HG13 H 1 1.327 0.020 . 2 . . . . 122 ILE HG13 . 6620 1 979 . 1 1 127 127 ILE HG21 H 1 0.823 0.020 . 1 . . . . 122 ILE HG2 . 6620 1 980 . 1 1 127 127 ILE HG22 H 1 0.823 0.020 . 1 . . . . 122 ILE HG2 . 6620 1 981 . 1 1 127 127 ILE HG23 H 1 0.823 0.020 . 1 . . . . 122 ILE HG2 . 6620 1 982 . 1 1 127 127 ILE HD11 H 1 0.647 0.020 . 1 . . . . 122 ILE HD1 . 6620 1 983 . 1 1 127 127 ILE HD12 H 1 0.647 0.020 . 1 . . . . 122 ILE HD1 . 6620 1 984 . 1 1 127 127 ILE HD13 H 1 0.647 0.020 . 1 . . . . 122 ILE HD1 . 6620 1 985 . 1 1 127 127 ILE CA C 13 57.722 0.150 . 1 . . . . 122 ILE CA . 6620 1 986 . 1 1 127 127 ILE CB C 13 35.720 0.150 . 1 . . . . 122 ILE CB . 6620 1 987 . 1 1 127 127 ILE CG1 C 13 26.660 0.150 . 1 . . . . 122 ILE CG1 . 6620 1 988 . 1 1 127 127 ILE CG2 C 13 17.283 0.150 . 1 . . . . 122 ILE CG2 . 6620 1 989 . 1 1 127 127 ILE CD1 C 13 9.194 0.150 . 1 . . . . 122 ILE CD1 . 6620 1 990 . 1 1 127 127 ILE N N 15 120.904 0.150 . 1 . . . . 122 ILE N . 6620 1 991 . 1 1 128 128 GLU H H 1 9.355 0.020 . 1 . . . . 123 GLU HN . 6620 1 992 . 1 1 128 128 GLU HA H 1 4.924 0.020 . 1 . . . . 123 GLU HA . 6620 1 993 . 1 1 128 128 GLU HB2 H 1 1.778 0.020 . 2 . . . . 123 GLU HB2 . 6620 1 994 . 1 1 128 128 GLU HB3 H 1 2.252 0.020 . 2 . . . . 123 GLU HB3 . 6620 1 995 . 1 1 128 128 GLU HG2 H 1 2.045 0.020 . 2 . . . . 123 GLU HG2 . 6620 1 996 . 1 1 128 128 GLU HG3 H 1 1.953 0.020 . 2 . . . . 123 GLU HG3 . 6620 1 997 . 1 1 128 128 GLU CA C 13 55.457 0.150 . 1 . . . . 123 GLU CA . 6620 1 998 . 1 1 128 128 GLU CB C 13 35.170 0.150 . 1 . . . . 123 GLU CB . 6620 1 999 . 1 1 128 128 GLU CG C 13 37.338 0.150 . 1 . . . . 123 GLU CG . 6620 1 1000 . 1 1 128 128 GLU N N 15 127.378 0.150 . 1 . . . . 123 GLU N . 6620 1 1001 . 1 1 129 129 GLU H H 1 8.808 0.020 . 1 . . . . 124 GLU HN . 6620 1 1002 . 1 1 129 129 GLU HA H 1 5.509 0.020 . 1 . . . . 124 GLU HA . 6620 1 1003 . 1 1 129 129 GLU HB2 H 1 1.946 0.020 . 2 . . . . 124 GLU HB2 . 6620 1 1004 . 1 1 129 129 GLU HB3 H 1 2.072 0.020 . 2 . . . . 124 GLU HB3 . 6620 1 1005 . 1 1 129 129 GLU HG2 H 1 2.231 0.020 . 2 . . . . 124 GLU HG2 . 6620 1 1006 . 1 1 129 129 GLU CA C 13 55.133 0.150 . 1 . . . . 124 GLU CA . 6620 1 1007 . 1 1 129 129 GLU CB C 13 32.808 0.150 . 1 . . . . 124 GLU CB . 6620 1 1008 . 1 1 129 129 GLU CG C 13 37.338 0.150 . 1 . . . . 124 GLU CG . 6620 1 1009 . 1 1 129 129 GLU N N 15 121.982 0.150 . 1 . . . . 124 GLU N . 6620 1 1010 . 1 1 130 130 ARG H H 1 9.196 0.020 . 1 . . . . 125 ARG HN . 6620 1 1011 . 1 1 130 130 ARG HA H 1 4.584 0.020 . 1 . . . . 125 ARG HA . 6620 1 1012 . 1 1 130 130 ARG HB2 H 1 1.563 0.020 . 2 . . . . 125 ARG HB2 . 6620 1 1013 . 1 1 130 130 ARG CA C 13 56.007 0.150 . 1 . . . . 125 ARG CA . 6620 1 1014 . 1 1 130 130 ARG CB C 13 34.102 0.150 . 1 . . . . 125 ARG CB . 6620 1 1015 . 1 1 130 130 ARG N N 15 123.781 0.150 . 1 . . . . 125 ARG N . 6620 1 1016 . 1 1 131 131 GLU H H 1 8.760 0.020 . 1 . . . . 126 GLU HN . 6620 1 1017 . 1 1 131 131 GLU HA H 1 4.658 0.020 . 1 . . . . 126 GLU HA . 6620 1 1018 . 1 1 131 131 GLU CA C 13 56.104 0.150 . 1 . . . . 126 GLU CA . 6620 1 1019 . 1 1 131 131 GLU CB C 13 30.611 0.150 . 1 . . . . 126 GLU CB . 6620 1 1020 . 1 1 131 131 GLU N N 15 124.038 0.150 . 1 . . . . 126 GLU N . 6620 1 1021 . 1 1 132 132 GLY H H 1 8.568 0.020 . 1 . . . . 127 GLY HN . 6620 1 1022 . 1 1 132 132 GLY HA2 H 1 4.090 0.020 . 2 . . . . 127 GLY HA1 . 6620 1 1023 . 1 1 132 132 GLY HA3 H 1 3.878 0.020 . 2 . . . . 127 GLY HA2 . 6620 1 1024 . 1 1 132 132 GLY CA C 13 46.721 0.150 . 1 . . . . 127 GLY CA . 6620 1 1025 . 1 1 132 132 GLY N N 15 107.338 0.150 . 1 . . . . 127 GLY N . 6620 1 1026 . 1 1 133 133 ILE H H 1 7.593 0.020 . 1 . . . . 128 ILE HN . 6620 1 1027 . 1 1 133 133 ILE HA H 1 4.697 0.020 . 1 . . . . 128 ILE HA . 6620 1 1028 . 1 1 133 133 ILE HB H 1 1.574 0.020 . 1 . . . . 128 ILE HB . 6620 1 1029 . 1 1 133 133 ILE HG12 H 1 1.134 0.020 . 2 . . . . 128 ILE HG12 . 6620 1 1030 . 1 1 133 133 ILE HG13 H 1 0.906 0.020 . 2 . . . . 128 ILE HG13 . 6620 1 1031 . 1 1 133 133 ILE HG21 H 1 0.694 0.020 . 1 . . . . 128 ILE HG2 . 6620 1 1032 . 1 1 133 133 ILE HG22 H 1 0.694 0.020 . 1 . . . . 128 ILE HG2 . 6620 1 1033 . 1 1 133 133 ILE HG23 H 1 0.694 0.020 . 1 . . . . 128 ILE HG2 . 6620 1 1034 . 1 1 133 133 ILE HD11 H 1 0.365 0.020 . 1 . . . . 128 ILE HD1 . 6620 1 1035 . 1 1 133 133 ILE HD12 H 1 0.365 0.020 . 1 . . . . 128 ILE HD1 . 6620 1 1036 . 1 1 133 133 ILE HD13 H 1 0.365 0.020 . 1 . . . . 128 ILE HD1 . 6620 1 1037 . 1 1 133 133 ILE CA C 13 59.987 0.150 . 1 . . . . 128 ILE CA . 6620 1 1038 . 1 1 133 133 ILE CB C 13 42.665 0.150 . 1 . . . . 128 ILE CB . 6620 1 1039 . 1 1 133 133 ILE CG1 C 13 25.366 0.150 . 1 . . . . 128 ILE CG1 . 6620 1 1040 . 1 1 133 133 ILE CG2 C 13 16.959 0.150 . 1 . . . . 128 ILE CG2 . 6620 1 1041 . 1 1 133 133 ILE CD1 C 13 14.047 0.150 . 1 . . . . 128 ILE CD1 . 6620 1 1042 . 1 1 133 133 ILE N N 15 115.046 0.150 . 1 . . . . 128 ILE N . 6620 1 1043 . 1 1 134 134 THR H H 1 8.603 0.020 . 1 . . . . 129 THR HN . 6620 1 1044 . 1 1 134 134 THR HA H 1 5.470 0.020 . 1 . . . . 129 THR HA . 6620 1 1045 . 1 1 134 134 THR HB H 1 3.798 0.020 . 1 . . . . 129 THR HB . 6620 1 1046 . 1 1 134 134 THR HG21 H 1 0.834 0.020 . 1 . . . . 129 THR HG2 . 6620 1 1047 . 1 1 134 134 THR HG22 H 1 0.834 0.020 . 1 . . . . 129 THR HG2 . 6620 1 1048 . 1 1 134 134 THR HG23 H 1 0.834 0.020 . 1 . . . . 129 THR HG2 . 6620 1 1049 . 1 1 134 134 THR CA C 13 61.281 0.150 . 1 . . . . 129 THR CA . 6620 1 1050 . 1 1 134 134 THR CB C 13 69.265 0.150 . 1 . . . . 129 THR CB . 6620 1 1051 . 1 1 134 134 THR CG2 C 13 22.777 0.150 . 1 . . . . 129 THR CG2 . 6620 1 1052 . 1 1 134 134 THR N N 15 121.849 0.150 . 1 . . . . 129 THR N . 6620 1 1053 . 1 1 135 135 VAL H H 1 8.605 0.020 . 1 . . . . 130 VAL HN . 6620 1 1054 . 1 1 135 135 VAL HA H 1 5.289 0.020 . 1 . . . . 130 VAL HA . 6620 1 1055 . 1 1 135 135 VAL HB H 1 1.653 0.020 . 1 . . . . 130 VAL HB . 6620 1 1056 . 1 1 135 135 VAL HG11 H 1 -0.518 0.020 . 2 . . . . 130 VAL HG1 . 6620 1 1057 . 1 1 135 135 VAL HG12 H 1 -0.518 0.020 . 2 . . . . 130 VAL HG1 . 6620 1 1058 . 1 1 135 135 VAL HG13 H 1 -0.518 0.020 . 2 . . . . 130 VAL HG1 . 6620 1 1059 . 1 1 135 135 VAL HG21 H 1 0.528 0.020 . 2 . . . . 130 VAL HG2 . 6620 1 1060 . 1 1 135 135 VAL HG22 H 1 0.528 0.020 . 2 . . . . 130 VAL HG2 . 6620 1 1061 . 1 1 135 135 VAL HG23 H 1 0.528 0.020 . 2 . . . . 130 VAL HG2 . 6620 1 1062 . 1 1 135 135 VAL CA C 13 57.398 0.150 . 1 . . . . 130 VAL CA . 6620 1 1063 . 1 1 135 135 VAL CB C 13 36.043 0.150 . 1 . . . . 130 VAL CB . 6620 1 1064 . 1 1 135 135 VAL CG1 C 13 16.959 0.150 . 1 . . . . 130 VAL CG1 . 6620 1 1065 . 1 1 135 135 VAL CG2 C 13 21.489 0.150 . 1 . . . . 130 VAL CG2 . 6620 1 1066 . 1 1 135 135 VAL N N 15 116.844 0.150 . 1 . . . . 130 VAL N . 6620 1 1067 . 1 1 136 136 TYR H H 1 9.092 0.020 . 1 . . . . 131 TYR HN . 6620 1 1068 . 1 1 136 136 TYR HA H 1 5.018 0.020 . 1 . . . . 131 TYR HA . 6620 1 1069 . 1 1 136 136 TYR HB2 H 1 2.321 0.020 . 2 . . . . 131 TYR HB2 . 6620 1 1070 . 1 1 136 136 TYR HB3 H 1 2.318 0.020 . 2 . . . . 131 TYR HB3 . 6620 1 1071 . 1 1 136 136 TYR HD1 H 1 6.591 0.020 . 1 . . . . 131 TYR HD1 . 6620 1 1072 . 1 1 136 136 TYR HD2 H 1 6.591 0.020 . 1 . . . . 131 TYR HD2 . 6620 1 1073 . 1 1 136 136 TYR HE1 H 1 6.664 0.020 . 1 . . . . 131 TYR HE1 . 6620 1 1074 . 1 1 136 136 TYR HE2 H 1 6.664 0.020 . 1 . . . . 131 TYR HE2 . 6620 1 1075 . 1 1 136 136 TYR CA C 13 56.625 0.150 . 1 . . . . 131 TYR CA . 6620 1 1076 . 1 1 136 136 TYR CB C 13 40.543 0.150 . 1 . . . . 131 TYR CB . 6620 1 1077 . 1 1 136 136 TYR CD1 C 13 133.006 0.150 . 3 . . . . 131 TYR CD1 . 6620 1 1078 . 1 1 136 136 TYR CE1 C 13 117.663 0.150 . 3 . . . . 131 TYR CE1 . 6620 1 1079 . 1 1 136 136 TYR N N 15 119.156 0.150 . 1 . . . . 131 TYR N . 6620 1 1080 . 1 1 137 137 SER H H 1 9.185 0.020 . 1 . . . . 132 SER HN . 6620 1 1081 . 1 1 137 137 SER HA H 1 6.096 0.020 . 1 . . . . 132 SER HA . 6620 1 1082 . 1 1 137 137 SER HB2 H 1 3.133 0.020 . 2 . . . . 132 SER HB2 . 6620 1 1083 . 1 1 137 137 SER HB3 H 1 2.927 0.020 . 2 . . . . 132 SER HB3 . 6620 1 1084 . 1 1 137 137 SER CA C 13 56.428 0.150 . 1 . . . . 132 SER CA . 6620 1 1085 . 1 1 137 137 SER CB C 13 65.811 0.150 . 1 . . . . 132 SER CB . 6620 1 1086 . 1 1 137 137 SER N N 15 116.537 0.150 . 1 . . . . 132 SER N . 6620 1 1087 . 1 1 138 138 THR H H 1 8.484 0.020 . 1 . . . . 133 THR HN . 6620 1 1088 . 1 1 138 138 THR HA H 1 5.103 0.020 . 1 . . . . 133 THR HA . 6620 1 1089 . 1 1 138 138 THR HB H 1 4.162 0.020 . 1 . . . . 133 THR HB . 6620 1 1090 . 1 1 138 138 THR HG21 H 1 1.340 0.020 . 1 . . . . 133 THR HG2 . 6620 1 1091 . 1 1 138 138 THR HG22 H 1 1.340 0.020 . 1 . . . . 133 THR HG2 . 6620 1 1092 . 1 1 138 138 THR HG23 H 1 1.340 0.020 . 1 . . . . 133 THR HG2 . 6620 1 1093 . 1 1 138 138 THR CA C 13 61.605 0.150 . 1 . . . . 133 THR CA . 6620 1 1094 . 1 1 138 138 THR CB C 13 71.629 0.150 . 1 . . . . 133 THR CB . 6620 1 1095 . 1 1 138 138 THR CG2 C 13 20.195 0.150 . 1 . . . . 133 THR CG2 . 6620 1 1096 . 1 1 138 138 THR N N 15 120.698 0.150 . 1 . . . . 133 THR N . 6620 1 1097 . 1 1 139 139 GLN H H 1 8.497 0.020 . 1 . . . . 134 GLN HN . 6620 1 1098 . 1 1 139 139 GLN HA H 1 5.908 0.020 . 1 . . . . 134 GLN HA . 6620 1 1099 . 1 1 139 139 GLN HB2 H 1 2.164 0.020 . 2 . . . . 134 GLN HB2 . 6620 1 1100 . 1 1 139 139 GLN HG2 H 1 2.445 0.020 . 2 . . . . 134 GLN HG2 . 6620 1 1101 . 1 1 139 139 GLN HG3 H 1 2.294 0.020 . 2 . . . . 134 GLN HG3 . 6620 1 1102 . 1 1 139 139 GLN CA C 13 54.486 0.150 . 1 . . . . 134 GLN CA . 6620 1 1103 . 1 1 139 139 GLN CB C 13 33.904 0.150 . 1 . . . . 134 GLN CB . 6620 1 1104 . 1 1 139 139 GLN CG C 13 35.073 0.150 . 1 . . . . 134 GLN CG . 6620 1 1105 . 1 1 139 139 GLN N N 15 126.300 0.150 . 1 . . . . 134 GLN N . 6620 1 1106 . 1 1 140 140 PHE H H 1 9.049 0.020 . 1 . . . . 135 PHE HN . 6620 1 1107 . 1 1 140 140 PHE HA H 1 4.981 0.020 . 1 . . . . 135 PHE HA . 6620 1 1108 . 1 1 140 140 PHE HB2 H 1 2.732 0.020 . 2 . . . . 135 PHE HB2 . 6620 1 1109 . 1 1 140 140 PHE HE1 H 1 6.919 0.020 . 1 . . . . 135 PHE HE1 . 6620 1 1110 . 1 1 140 140 PHE HE2 H 1 6.919 0.020 . 1 . . . . 135 PHE HE2 . 6620 1 1111 . 1 1 140 140 PHE HZ H 1 6.638 0.020 . 1 . . . . 135 PHE HZ . 6620 1 1112 . 1 1 140 140 PHE CA C 13 56.301 0.150 . 1 . . . . 135 PHE CA . 6620 1 1113 . 1 1 140 140 PHE CB C 13 40.573 0.150 . 1 . . . . 135 PHE CB . 6620 1 1114 . 1 1 140 140 PHE CE1 C 13 129.938 0.150 . 3 . . . . 135 PHE CE1 . 6620 1 1115 . 1 1 140 140 PHE CZ C 13 128.812 0.150 . 1 . . . . 135 PHE CZ . 6620 1 1116 . 1 1 140 140 PHE N N 15 122.239 0.150 . 1 . . . . 135 PHE N . 6620 1 1117 . 1 1 141 141 GLY HA2 H 1 3.860 0.020 . 2 . . . . 136 GLY HA1 . 6620 1 1118 . 1 1 141 141 GLY HA3 H 1 4.176 0.020 . 2 . . . . 136 GLY HA2 . 6620 1 1119 . 1 1 141 141 GLY CA C 13 44.456 0.150 . 1 . . . . 136 GLY CA . 6620 1 1120 . 1 1 142 142 GLY H H 1 7.649 0.020 . 1 . . . . 137 GLY HN . 6620 1 1121 . 1 1 142 142 GLY HA2 H 1 4.715 0.020 . 2 . . . . 137 GLY HA1 . 6620 1 1122 . 1 1 142 142 GLY HA3 H 1 3.806 0.020 . 2 . . . . 137 GLY HA2 . 6620 1 1123 . 1 1 142 142 GLY CA C 13 44.043 0.150 . 1 . . . . 137 GLY CA . 6620 1 1124 . 1 1 142 142 GLY N N 15 104.976 0.150 . 1 . . . . 137 GLY N . 6620 1 1125 . 1 1 143 143 TYR HA H 1 4.528 0.020 . 1 . . . . 138 TYR HA . 6620 1 1126 . 1 1 143 143 TYR HB2 H 1 2.628 0.020 . 2 . . . . 138 TYR HB2 . 6620 1 1127 . 1 1 143 143 TYR HB3 H 1 3.041 0.020 . 2 . . . . 138 TYR HB3 . 6620 1 1128 . 1 1 143 143 TYR HD1 H 1 7.053 0.020 . 1 . . . . 138 TYR HD1 . 6620 1 1129 . 1 1 143 143 TYR HD2 H 1 7.053 0.020 . 1 . . . . 138 TYR HD2 . 6620 1 1130 . 1 1 143 143 TYR HE1 H 1 6.811 0.020 . 1 . . . . 138 TYR HE1 . 6620 1 1131 . 1 1 143 143 TYR HE2 H 1 6.811 0.020 . 1 . . . . 138 TYR HE2 . 6620 1 1132 . 1 1 143 143 TYR CA C 13 58.046 0.150 . 1 . . . . 138 TYR CA . 6620 1 1133 . 1 1 143 143 TYR CB C 13 37.730 0.150 . 1 . . . . 138 TYR CB . 6620 1 1134 . 1 1 143 143 TYR CD1 C 13 132.953 0.150 . 3 . . . . 138 TYR CD1 . 6620 1 1135 . 1 1 143 143 TYR CE1 C 13 118.536 0.150 . 3 . . . . 138 TYR CE1 . 6620 1 1136 . 1 1 144 144 ALA H H 1 8.454 0.020 . 1 . . . . 139 ALA HN . 6620 1 1137 . 1 1 144 144 ALA HA H 1 4.480 0.020 . 1 . . . . 139 ALA HA . 6620 1 1138 . 1 1 144 144 ALA HB1 H 1 0.985 0.020 . 1 . . . . 139 ALA HB . 6620 1 1139 . 1 1 144 144 ALA HB2 H 1 0.985 0.020 . 1 . . . . 139 ALA HB . 6620 1 1140 . 1 1 144 144 ALA HB3 H 1 0.985 0.020 . 1 . . . . 139 ALA HB . 6620 1 1141 . 1 1 144 144 ALA CA C 13 52.415 0.150 . 1 . . . . 139 ALA CA . 6620 1 1142 . 1 1 144 144 ALA CB C 13 19.844 0.150 . 1 . . . . 139 ALA CB . 6620 1 1143 . 1 1 144 144 ALA N N 15 129.690 0.150 . 1 . . . . 139 ALA N . 6620 1 1144 . 1 1 145 145 LYS H H 1 9.534 0.020 . 1 . . . . 140 LYS HN . 6620 1 1145 . 1 1 145 145 LYS HA H 1 4.964 0.020 . 1 . . . . 140 LYS HA . 6620 1 1146 . 1 1 145 145 LYS HB2 H 1 1.798 0.020 . 2 . . . . 140 LYS HB2 . 6620 1 1147 . 1 1 145 145 LYS HB3 H 1 1.925 0.020 . 2 . . . . 140 LYS HB3 . 6620 1 1148 . 1 1 145 145 LYS HG2 H 1 2.221 0.020 . 2 . . . . 140 LYS HG2 . 6620 1 1149 . 1 1 145 145 LYS HD2 H 1 2.319 0.020 . 2 . . . . 140 LYS HD2 . 6620 1 1150 . 1 1 145 145 LYS HE2 H 1 3.018 0.020 . 1 . . . . 140 LYS HE2 . 6620 1 1151 . 1 1 145 145 LYS HE3 H 1 3.018 0.020 . 1 . . . . 140 LYS HE3 . 6620 1 1152 . 1 1 145 145 LYS CA C 13 54.486 0.150 . 1 . . . . 140 LYS CA . 6620 1 1153 . 1 1 145 145 LYS CB C 13 35.357 0.150 . 1 . . . . 140 LYS CB . 6620 1 1154 . 1 1 145 145 LYS CE C 13 42.515 0.150 . 1 . . . . 140 LYS CE . 6620 1 1155 . 1 1 145 145 LYS N N 15 124.295 0.150 . 1 . . . . 140 LYS N . 6620 1 1156 . 1 1 146 146 GLU H H 1 10.558 0.020 . 1 . . . . 141 GLU HN . 6620 1 1157 . 1 1 146 146 GLU HA H 1 4.634 0.020 . 1 . . . . 141 GLU HA . 6620 1 1158 . 1 1 146 146 GLU CA C 13 62.098 0.150 . 1 . . . . 141 GLU CA . 6620 1 1159 . 1 1 146 146 GLU CB C 13 30.066 0.150 . 1 . . . . 141 GLU CB . 6620 1 1160 . 1 1 146 146 GLU N N 15 125.579 0.150 . 1 . . . . 141 GLU N . 6620 1 1161 . 1 1 147 147 ALA H H 1 8.610 0.020 . 1 . . . . 142 ALA HN . 6620 1 1162 . 1 1 147 147 ALA HA H 1 4.085 0.020 . 1 . . . . 142 ALA HA . 6620 1 1163 . 1 1 147 147 ALA HB1 H 1 1.415 0.020 . 1 . . . . 142 ALA HB . 6620 1 1164 . 1 1 147 147 ALA HB2 H 1 1.415 0.020 . 1 . . . . 142 ALA HB . 6620 1 1165 . 1 1 147 147 ALA HB3 H 1 1.415 0.020 . 1 . . . . 142 ALA HB . 6620 1 1166 . 1 1 147 147 ALA CA C 13 55.869 0.150 . 1 . . . . 142 ALA CA . 6620 1 1167 . 1 1 147 147 ALA CB C 13 18.989 0.150 . 1 . . . . 142 ALA CB . 6620 1 1168 . 1 1 147 147 ALA N N 15 115.816 0.150 . 1 . . . . 142 ALA N . 6620 1 1169 . 1 1 148 148 ASP H H 1 7.925 0.020 . 1 . . . . 143 ASP HN . 6620 1 1170 . 1 1 148 148 ASP HA H 1 4.521 0.020 . 1 . . . . 143 ASP HA . 6620 1 1171 . 1 1 148 148 ASP HB2 H 1 2.715 0.020 . 2 . . . . 143 ASP HB2 . 6620 1 1172 . 1 1 148 148 ASP CA C 13 57.154 0.150 . 1 . . . . 143 ASP CA . 6620 1 1173 . 1 1 148 148 ASP CB C 13 42.365 0.150 . 1 . . . . 143 ASP CB . 6620 1 1174 . 1 1 148 148 ASP N N 15 116.844 0.150 . 1 . . . . 143 ASP N . 6620 1 1175 . 1 1 149 149 TYR H H 1 7.915 0.020 . 1 . . . . 144 TYR HN . 6620 1 1176 . 1 1 149 149 TYR HA H 1 4.353 0.020 . 1 . . . . 144 TYR HA . 6620 1 1177 . 1 1 149 149 TYR HB2 H 1 3.214 0.020 . 2 . . . . 144 TYR HB2 . 6620 1 1178 . 1 1 149 149 TYR HB3 H 1 3.506 0.020 . 2 . . . . 144 TYR HB3 . 6620 1 1179 . 1 1 149 149 TYR HD1 H 1 7.139 0.020 . 1 . . . . 144 TYR HD1 . 6620 1 1180 . 1 1 149 149 TYR HD2 H 1 7.139 0.020 . 1 . . . . 144 TYR HD2 . 6620 1 1181 . 1 1 149 149 TYR HE1 H 1 6.737 0.020 . 1 . . . . 144 TYR HE1 . 6620 1 1182 . 1 1 149 149 TYR HE2 H 1 6.737 0.020 . 1 . . . . 144 TYR HE2 . 6620 1 1183 . 1 1 149 149 TYR CA C 13 62.536 0.150 . 1 . . . . 144 TYR CA . 6620 1 1184 . 1 1 149 149 TYR CB C 13 38.348 0.150 . 1 . . . . 144 TYR CB . 6620 1 1185 . 1 1 149 149 TYR CD1 C 13 133.780 0.150 . 3 . . . . 144 TYR CD1 . 6620 1 1186 . 1 1 149 149 TYR CE1 C 13 117.941 0.150 . 3 . . . . 144 TYR CE1 . 6620 1 1187 . 1 1 149 149 TYR N N 15 120.721 0.150 . 1 . . . . 144 TYR N . 6620 1 1188 . 1 1 150 150 VAL H H 1 8.348 0.020 . 1 . . . . 145 VAL HN . 6620 1 1189 . 1 1 150 150 VAL HA H 1 3.867 0.020 . 1 . . . . 145 VAL HA . 6620 1 1190 . 1 1 150 150 VAL HB H 1 2.078 0.020 . 1 . . . . 145 VAL HB . 6620 1 1191 . 1 1 150 150 VAL HG11 H 1 1.275 0.020 . 2 . . . . 145 VAL HG1 . 6620 1 1192 . 1 1 150 150 VAL HG12 H 1 1.275 0.020 . 2 . . . . 145 VAL HG1 . 6620 1 1193 . 1 1 150 150 VAL HG13 H 1 1.275 0.020 . 2 . . . . 145 VAL HG1 . 6620 1 1194 . 1 1 150 150 VAL HG21 H 1 0.946 0.020 . 2 . . . . 145 VAL HG2 . 6620 1 1195 . 1 1 150 150 VAL HG22 H 1 0.946 0.020 . 2 . . . . 145 VAL HG2 . 6620 1 1196 . 1 1 150 150 VAL HG23 H 1 0.946 0.020 . 2 . . . . 145 VAL HG2 . 6620 1 1197 . 1 1 150 150 VAL CA C 13 66.458 0.150 . 1 . . . . 145 VAL CA . 6620 1 1198 . 1 1 150 150 VAL CB C 13 32.761 0.150 . 1 . . . . 145 VAL CB . 6620 1 1199 . 1 1 150 150 VAL CG1 C 13 22.777 0.150 . 1 . . . . 145 VAL CG1 . 6620 1 1200 . 1 1 150 150 VAL CG2 C 13 20.842 0.150 . 1 . . . . 145 VAL CG2 . 6620 1 1201 . 1 1 150 150 VAL N N 15 118.386 0.150 . 1 . . . . 145 VAL N . 6620 1 1202 . 1 1 151 151 ALA H H 1 8.046 0.020 . 1 . . . . 146 ALA HN . 6620 1 1203 . 1 1 151 151 ALA HA H 1 4.058 0.020 . 1 . . . . 146 ALA HA . 6620 1 1204 . 1 1 151 151 ALA HB1 H 1 1.343 0.020 . 1 . . . . 146 ALA HB . 6620 1 1205 . 1 1 151 151 ALA HB2 H 1 1.343 0.020 . 1 . . . . 146 ALA HB . 6620 1 1206 . 1 1 151 151 ALA HB3 H 1 1.343 0.020 . 1 . . . . 146 ALA HB . 6620 1 1207 . 1 1 151 151 ALA CA C 13 55.781 0.150 . 1 . . . . 146 ALA CA . 6620 1 1208 . 1 1 151 151 ALA CB C 13 18.172 0.150 . 1 . . . . 146 ALA CB . 6620 1 1209 . 1 1 151 151 ALA N N 15 123.010 0.150 . 1 . . . . 146 ALA N . 6620 1 1210 . 1 1 152 152 HIS H H 1 8.066 0.020 . 1 . . . . 147 HIS HN . 6620 1 1211 . 1 1 152 152 HIS HA H 1 4.104 0.020 . 1 . . . . 147 HIS HA . 6620 1 1212 . 1 1 152 152 HIS HB2 H 1 2.359 0.020 . 2 . . . . 147 HIS HB2 . 6620 1 1213 . 1 1 152 152 HIS CA C 13 61.389 0.150 . 1 . . . . 147 HIS CA . 6620 1 1214 . 1 1 152 152 HIS CB C 13 29.896 0.150 . 1 . . . . 147 HIS CB . 6620 1 1215 . 1 1 152 152 HIS N N 15 116.330 0.150 . 1 . . . . 147 HIS N . 6620 1 1216 . 1 1 153 153 ALA H H 1 8.570 0.020 . 1 . . . . 148 ALA HN . 6620 1 1217 . 1 1 153 153 ALA HA H 1 3.771 0.020 . 1 . . . . 148 ALA HA . 6620 1 1218 . 1 1 153 153 ALA HB1 H 1 1.041 0.020 . 1 . . . . 148 ALA HB . 6620 1 1219 . 1 1 153 153 ALA HB2 H 1 1.041 0.020 . 1 . . . . 148 ALA HB . 6620 1 1220 . 1 1 153 153 ALA HB3 H 1 1.041 0.020 . 1 . . . . 148 ALA HB . 6620 1 1221 . 1 1 153 153 ALA CA C 13 56.428 0.150 . 1 . . . . 148 ALA CA . 6620 1 1222 . 1 1 153 153 ALA CB C 13 17.601 0.150 . 1 . . . . 148 ALA CB . 6620 1 1223 . 1 1 153 153 ALA N N 15 124.808 0.150 . 1 . . . . 148 ALA N . 6620 1 1224 . 1 1 154 154 THR H H 1 8.117 0.020 . 1 . . . . 149 THR HN . 6620 1 1225 . 1 1 154 154 THR HA H 1 3.711 0.020 . 1 . . . . 149 THR HA . 6620 1 1226 . 1 1 154 154 THR HB H 1 4.299 0.020 . 1 . . . . 149 THR HB . 6620 1 1227 . 1 1 154 154 THR HG21 H 1 1.170 0.020 . 1 . . . . 149 THR HG2 . 6620 1 1228 . 1 1 154 154 THR HG22 H 1 1.170 0.020 . 1 . . . . 149 THR HG2 . 6620 1 1229 . 1 1 154 154 THR HG23 H 1 1.170 0.020 . 1 . . . . 149 THR HG2 . 6620 1 1230 . 1 1 154 154 THR CA C 13 67.074 0.150 . 1 . . . . 149 THR CA . 6620 1 1231 . 1 1 154 154 THR CB C 13 69.197 0.150 . 1 . . . . 149 THR CB . 6620 1 1232 . 1 1 154 154 THR N N 15 115.536 0.150 . 1 . . . . 149 THR N . 6620 1 1233 . 1 1 155 155 GLN H H 1 7.825 0.020 . 1 . . . . 150 GLN HN . 6620 1 1234 . 1 1 155 155 GLN HA H 1 4.015 0.020 . 1 . . . . 150 GLN HA . 6620 1 1235 . 1 1 155 155 GLN HB2 H 1 2.108 0.020 . 2 . . . . 150 GLN HB2 . 6620 1 1236 . 1 1 155 155 GLN CA C 13 58.780 0.150 . 1 . . . . 150 GLN CA . 6620 1 1237 . 1 1 155 155 GLN CB C 13 28.240 0.150 . 1 . . . . 150 GLN CB . 6620 1 1238 . 1 1 155 155 GLN N N 15 121.269 0.150 . 1 . . . . 150 GLN N . 6620 1 1239 . 1 1 156 156 LEU H H 1 8.319 0.020 . 1 . . . . 151 LEU HN . 6620 1 1240 . 1 1 156 156 LEU HA H 1 3.968 0.020 . 1 . . . . 151 LEU HA . 6620 1 1241 . 1 1 156 156 LEU HB2 H 1 1.795 0.020 . 2 . . . . 151 LEU HB2 . 6620 1 1242 . 1 1 156 156 LEU HB3 H 1 1.440 0.020 . 2 . . . . 151 LEU HB3 . 6620 1 1243 . 1 1 156 156 LEU HG H 1 1.169 0.020 . 1 . . . . 151 LEU HG . 6620 1 1244 . 1 1 156 156 LEU HD11 H 1 0.708 0.020 . 2 . . . . 151 LEU HD1 . 6620 1 1245 . 1 1 156 156 LEU HD12 H 1 0.708 0.020 . 2 . . . . 151 LEU HD1 . 6620 1 1246 . 1 1 156 156 LEU HD13 H 1 0.708 0.020 . 2 . . . . 151 LEU HD1 . 6620 1 1247 . 1 1 156 156 LEU HD21 H 1 0.623 0.020 . 2 . . . . 151 LEU HD2 . 6620 1 1248 . 1 1 156 156 LEU HD22 H 1 0.623 0.020 . 2 . . . . 151 LEU HD2 . 6620 1 1249 . 1 1 156 156 LEU HD23 H 1 0.623 0.020 . 2 . . . . 151 LEU HD2 . 6620 1 1250 . 1 1 156 156 LEU CA C 13 58.369 0.150 . 1 . . . . 151 LEU CA . 6620 1 1251 . 1 1 156 156 LEU CB C 13 41.220 0.150 . 1 . . . . 151 LEU CB . 6620 1 1252 . 1 1 156 156 LEU CD1 C 13 26.660 0.150 . 1 . . . . 151 LEU CD1 . 6620 1 1253 . 1 1 156 156 LEU CD2 C 13 23.101 0.150 . 1 . . . . 151 LEU CD2 . 6620 1 1254 . 1 1 156 156 LEU N N 15 123.524 0.150 . 1 . . . . 151 LEU N . 6620 1 1255 . 1 1 158 158 THR HA H 1 3.912 0.020 . 1 . . . . 153 THR HA . 6620 1 1256 . 1 1 158 158 THR HB H 1 4.254 0.020 . 1 . . . . 153 THR HB . 6620 1 1257 . 1 1 158 158 THR HG21 H 1 1.216 0.020 . 1 . . . . 153 THR HG2 . 6620 1 1258 . 1 1 158 158 THR HG22 H 1 1.216 0.020 . 1 . . . . 153 THR HG2 . 6620 1 1259 . 1 1 158 158 THR HG23 H 1 1.216 0.020 . 1 . . . . 153 THR HG2 . 6620 1 1260 . 1 1 158 158 THR CB C 13 69.041 0.150 . 1 . . . . 153 THR CB . 6620 1 1261 . 1 1 159 159 THR H H 1 7.932 0.020 . 1 . . . . 154 THR HN . 6620 1 1262 . 1 1 159 159 THR HA H 1 3.842 0.020 . 1 . . . . 154 THR HA . 6620 1 1263 . 1 1 159 159 THR HB H 1 4.307 0.020 . 1 . . . . 154 THR HB . 6620 1 1264 . 1 1 159 159 THR CB C 13 68.717 0.150 . 1 . . . . 154 THR CB . 6620 1 1265 . 1 1 159 159 THR N N 15 120.647 0.150 . 1 . . . . 154 THR N . 6620 1 1266 . 1 1 160 160 LEU H H 1 7.585 0.020 . 1 . . . . 155 LEU HN . 6620 1 1267 . 1 1 160 160 LEU HA H 1 3.937 0.020 . 1 . . . . 155 LEU HA . 6620 1 1268 . 1 1 160 160 LEU HB2 H 1 1.125 0.020 . 2 . . . . 155 LEU HB2 . 6620 1 1269 . 1 1 160 160 LEU HB3 H 1 1.462 0.020 . 2 . . . . 155 LEU HB3 . 6620 1 1270 . 1 1 160 160 LEU HG H 1 1.150 0.020 . 1 . . . . 155 LEU HG . 6620 1 1271 . 1 1 160 160 LEU HD11 H 1 -0.250 0.020 . 2 . . . . 155 LEU HD1 . 6620 1 1272 . 1 1 160 160 LEU HD12 H 1 -0.250 0.020 . 2 . . . . 155 LEU HD1 . 6620 1 1273 . 1 1 160 160 LEU HD13 H 1 -0.250 0.020 . 2 . . . . 155 LEU HD1 . 6620 1 1274 . 1 1 160 160 LEU HD21 H 1 -0.462 0.020 . 2 . . . . 155 LEU HD2 . 6620 1 1275 . 1 1 160 160 LEU HD22 H 1 -0.462 0.020 . 2 . . . . 155 LEU HD2 . 6620 1 1276 . 1 1 160 160 LEU HD23 H 1 -0.462 0.020 . 2 . . . . 155 LEU HD2 . 6620 1 1277 . 1 1 160 160 LEU CA C 13 55.457 0.150 . 1 . . . . 155 LEU CA . 6620 1 1278 . 1 1 160 160 LEU CB C 13 41.868 0.150 . 1 . . . . 155 LEU CB . 6620 1 1279 . 1 1 160 160 LEU CG C 13 25.690 0.150 . 1 . . . . 155 LEU CG . 6620 1 1280 . 1 1 160 160 LEU CD1 C 13 25.690 0.150 . 1 . . . . 155 LEU CD1 . 6620 1 1281 . 1 1 160 160 LEU CD2 C 13 20.518 0.150 . 1 . . . . 155 LEU CD2 . 6620 1 1282 . 1 1 160 160 LEU N N 15 118.598 0.150 . 1 . . . . 155 LEU N . 6620 1 1283 . 1 1 161 161 GLU H H 1 7.536 0.020 . 1 . . . . 156 GLU HN . 6620 1 1284 . 1 1 161 161 GLU HA H 1 4.082 0.020 . 1 . . . . 156 GLU HA . 6620 1 1285 . 1 1 161 161 GLU HB2 H 1 2.077 0.020 . 2 . . . . 156 GLU HB2 . 6620 1 1286 . 1 1 161 161 GLU HG2 H 1 2.368 0.020 . 2 . . . . 156 GLU HG2 . 6620 1 1287 . 1 1 161 161 GLU N N 15 123.994 0.150 . 1 . . . . 156 GLU N . 6620 1 1288 . 1 1 162 162 GLY HA2 H 1 4.167 0.020 . 2 . . . . 157 GLY HA1 . 6620 1 1289 . 1 1 162 162 GLY HA3 H 1 3.884 0.020 . 2 . . . . 157 GLY HA2 . 6620 1 1290 . 1 1 162 162 GLY CA C 13 45.750 0.150 . 1 . . . . 157 GLY CA . 6620 1 1291 . 1 1 163 163 THR H H 1 7.771 0.020 . 1 . . . . 158 THR HN . 6620 1 1292 . 1 1 163 163 THR HA H 1 5.023 0.020 . 1 . . . . 158 THR HA . 6620 1 1293 . 1 1 163 163 THR HB H 1 4.444 0.020 . 1 . . . . 158 THR HB . 6620 1 1294 . 1 1 163 163 THR HG21 H 1 1.190 0.020 . 1 . . . . 158 THR HG2 . 6620 1 1295 . 1 1 163 163 THR HG22 H 1 1.190 0.020 . 1 . . . . 158 THR HG2 . 6620 1 1296 . 1 1 163 163 THR HG23 H 1 1.190 0.020 . 1 . . . . 158 THR HG2 . 6620 1 1297 . 1 1 163 163 THR CA C 13 60.310 0.150 . 1 . . . . 158 THR CA . 6620 1 1298 . 1 1 163 163 THR CB C 13 70.207 0.150 . 1 . . . . 158 THR CB . 6620 1 1299 . 1 1 163 163 THR CG2 C 13 20.842 0.150 . 1 . . . . 158 THR CG2 . 6620 1 1300 . 1 1 163 163 THR N N 15 112.733 0.150 . 1 . . . . 158 THR N . 6620 1 1301 . 1 1 164 164 PRO HA H 1 4.433 0.020 . 1 . . . . 159 PRO HA . 6620 1 1302 . 1 1 164 164 PRO HB2 H 1 2.251 0.020 . 2 . . . . 159 PRO HB2 . 6620 1 1303 . 1 1 164 164 PRO HD2 H 1 3.637 0.020 . 1 . . . . 159 PRO HD2 . 6620 1 1304 . 1 1 164 164 PRO HD3 H 1 3.637 0.020 . 1 . . . . 159 PRO HD3 . 6620 1 1305 . 1 1 164 164 PRO CA C 13 63.546 0.150 . 1 . . . . 159 PRO CA . 6620 1 1306 . 1 1 164 164 PRO CB C 13 31.553 0.150 . 1 . . . . 159 PRO CB . 6620 1 1307 . 1 1 164 164 PRO CD C 13 49.633 0.150 . 1 . . . . 159 PRO CD . 6620 1 1308 . 1 1 165 165 ALA H H 1 7.554 0.020 . 1 . . . . 160 ALA HN . 6620 1 1309 . 1 1 165 165 ALA HA H 1 4.216 0.020 . 1 . . . . 160 ALA HA . 6620 1 1310 . 1 1 165 165 ALA HB1 H 1 0.839 0.020 . 1 . . . . 160 ALA HB . 6620 1 1311 . 1 1 165 165 ALA HB2 H 1 0.839 0.020 . 1 . . . . 160 ALA HB . 6620 1 1312 . 1 1 165 165 ALA HB3 H 1 0.839 0.020 . 1 . . . . 160 ALA HB . 6620 1 1313 . 1 1 165 165 ALA CA C 13 53.520 0.150 . 1 . . . . 160 ALA CA . 6620 1 1314 . 1 1 165 165 ALA CB C 13 20.834 0.150 . 1 . . . . 160 ALA CB . 6620 1 1315 . 1 1 165 165 ALA N N 15 122.496 0.150 . 1 . . . . 160 ALA N . 6620 1 1316 . 1 1 166 166 THR H H 1 7.796 0.020 . 1 . . . . 161 THR HN . 6620 1 1317 . 1 1 166 166 THR HA H 1 4.358 0.020 . 1 . . . . 161 THR HA . 6620 1 1318 . 1 1 166 166 THR HB H 1 4.043 0.020 . 1 . . . . 161 THR HB . 6620 1 1319 . 1 1 166 166 THR HG21 H 1 1.094 0.020 . 1 . . . . 161 THR HG2 . 6620 1 1320 . 1 1 166 166 THR HG22 H 1 1.094 0.020 . 1 . . . . 161 THR HG2 . 6620 1 1321 . 1 1 166 166 THR HG23 H 1 1.094 0.020 . 1 . . . . 161 THR HG2 . 6620 1 1322 . 1 1 166 166 THR CA C 13 60.086 0.150 . 1 . . . . 161 THR CA . 6620 1 1323 . 1 1 166 166 THR CB C 13 71.180 0.150 . 1 . . . . 161 THR CB . 6620 1 1324 . 1 1 166 166 THR CG2 C 13 21.813 0.150 . 1 . . . . 161 THR CG2 . 6620 1 1325 . 1 1 166 166 THR N N 15 113.761 0.150 . 1 . . . . 161 THR N . 6620 1 1326 . 1 1 167 167 TYR H H 1 7.631 0.020 . 1 . . . . 162 TYR HN . 6620 1 1327 . 1 1 167 167 TYR HA H 1 5.728 0.020 . 1 . . . . 162 TYR HA . 6620 1 1328 . 1 1 167 167 TYR HB2 H 1 2.710 0.020 . 2 . . . . 162 TYR HB2 . 6620 1 1329 . 1 1 167 167 TYR HB3 H 1 3.001 0.020 . 2 . . . . 162 TYR HB3 . 6620 1 1330 . 1 1 167 167 TYR HD1 H 1 6.622 0.020 . 1 . . . . 162 TYR HD1 . 6620 1 1331 . 1 1 167 167 TYR HD2 H 1 6.622 0.020 . 1 . . . . 162 TYR HD2 . 6620 1 1332 . 1 1 167 167 TYR HE1 H 1 6.570 0.020 . 1 . . . . 162 TYR HE1 . 6620 1 1333 . 1 1 167 167 TYR HE2 H 1 6.570 0.020 . 1 . . . . 162 TYR HE2 . 6620 1 1334 . 1 1 167 167 TYR CA C 13 55.391 0.150 . 1 . . . . 162 TYR CA . 6620 1 1335 . 1 1 167 167 TYR CB C 13 41.885 0.150 . 1 . . . . 162 TYR CB . 6620 1 1336 . 1 1 167 167 TYR CD1 C 13 134.115 0.150 . 3 . . . . 162 TYR CD1 . 6620 1 1337 . 1 1 167 167 TYR CE1 C 13 117.941 0.150 . 3 . . . . 162 TYR CE1 . 6620 1 1338 . 1 1 167 167 TYR N N 15 118.642 0.150 . 1 . . . . 162 TYR N . 6620 1 1339 . 1 1 168 168 GLN H H 1 9.150 0.020 . 1 . . . . 163 GLN HN . 6620 1 1340 . 1 1 168 168 GLN HA H 1 4.362 0.020 . 1 . . . . 163 GLN HA . 6620 1 1341 . 1 1 168 168 GLN HB2 H 1 2.085 0.020 . 2 . . . . 163 GLN HB2 . 6620 1 1342 . 1 1 168 168 GLN HB3 H 1 1.959 0.020 . 2 . . . . 163 GLN HB3 . 6620 1 1343 . 1 1 168 168 GLN HG2 H 1 2.356 0.020 . 1 . . . . 163 GLN HG2 . 6620 1 1344 . 1 1 168 168 GLN HG3 H 1 2.356 0.020 . 1 . . . . 163 GLN HG3 . 6620 1 1345 . 1 1 168 168 GLN CA C 13 56.270 0.150 . 1 . . . . 163 GLN CA . 6620 1 1346 . 1 1 168 168 GLN CB C 13 29.801 0.150 . 1 . . . . 163 GLN CB . 6620 1 1347 . 1 1 168 168 GLN CG C 13 33.779 0.150 . 1 . . . . 163 GLN CG . 6620 1 1348 . 1 1 168 168 GLN N N 15 120.441 0.150 . 1 . . . . 163 GLN N . 6620 1 1349 . 1 1 169 169 GLY HA2 H 1 4.436 0.020 . 2 . . . . 164 GLY HA1 . 6620 1 1350 . 1 1 169 169 GLY HA3 H 1 3.886 0.020 . 2 . . . . 164 GLY HA2 . 6620 1 1351 . 1 1 169 169 GLY CA C 13 46.074 0.150 . 1 . . . . 164 GLY CA . 6620 1 1352 . 1 1 170 170 ASP H H 1 8.950 0.020 . 1 . . . . 165 ASP HN . 6620 1 1353 . 1 1 170 170 ASP HA H 1 4.681 0.020 . 1 . . . . 165 ASP HA . 6620 1 1354 . 1 1 170 170 ASP HB2 H 1 2.912 0.020 . 2 . . . . 165 ASP HB2 . 6620 1 1355 . 1 1 170 170 ASP HB3 H 1 2.728 0.020 . 2 . . . . 165 ASP HB3 . 6620 1 1356 . 1 1 170 170 ASP CA C 13 54.362 0.150 . 1 . . . . 165 ASP CA . 6620 1 1357 . 1 1 170 170 ASP CB C 13 40.860 0.150 . 1 . . . . 165 ASP CB . 6620 1 1358 . 1 1 170 170 ASP N N 15 116.794 0.150 . 1 . . . . 165 ASP N . 6620 1 1359 . 1 1 171 171 VAL H H 1 7.318 0.020 . 1 . . . . 166 VAL HN . 6620 1 1360 . 1 1 171 171 VAL HA H 1 4.684 0.020 . 1 . . . . 166 VAL HA . 6620 1 1361 . 1 1 171 171 VAL HB H 1 2.022 0.020 . 1 . . . . 166 VAL HB . 6620 1 1362 . 1 1 171 171 VAL HG11 H 1 0.635 0.020 . 2 . . . . 166 VAL HG1 . 6620 1 1363 . 1 1 171 171 VAL HG12 H 1 0.635 0.020 . 2 . . . . 166 VAL HG1 . 6620 1 1364 . 1 1 171 171 VAL HG13 H 1 0.635 0.020 . 2 . . . . 166 VAL HG1 . 6620 1 1365 . 1 1 171 171 VAL HG21 H 1 0.379 0.020 . 2 . . . . 166 VAL HG2 . 6620 1 1366 . 1 1 171 171 VAL HG22 H 1 0.379 0.020 . 2 . . . . 166 VAL HG2 . 6620 1 1367 . 1 1 171 171 VAL HG23 H 1 0.379 0.020 . 2 . . . . 166 VAL HG2 . 6620 1 1368 . 1 1 171 171 VAL CA C 13 59.946 0.150 . 1 . . . . 166 VAL CA . 6620 1 1369 . 1 1 171 171 VAL CB C 13 34.440 0.150 . 1 . . . . 166 VAL CB . 6620 1 1370 . 1 1 171 171 VAL CG1 C 13 21.813 0.150 . 1 . . . . 166 VAL CG1 . 6620 1 1371 . 1 1 171 171 VAL CG2 C 13 22.136 0.150 . 1 . . . . 166 VAL CG2 . 6620 1 1372 . 1 1 171 171 VAL N N 15 118.129 0.150 . 1 . . . . 166 VAL N . 6620 1 1373 . 1 1 172 172 TYR H H 1 7.971 0.020 . 1 . . . . 167 TYR HN . 6620 1 1374 . 1 1 172 172 TYR HA H 1 4.537 0.020 . 1 . . . . 167 TYR HA . 6620 1 1375 . 1 1 172 172 TYR HB2 H 1 3.722 0.020 . 2 . . . . 167 TYR HB2 . 6620 1 1376 . 1 1 172 172 TYR HB3 H 1 3.199 0.020 . 2 . . . . 167 TYR HB3 . 6620 1 1377 . 1 1 172 172 TYR HD1 H 1 6.723 0.020 . 1 . . . . 167 TYR HD1 . 6620 1 1378 . 1 1 172 172 TYR HD2 H 1 6.723 0.020 . 1 . . . . 167 TYR HD2 . 6620 1 1379 . 1 1 172 172 TYR HE1 H 1 6.401 0.020 . 1 . . . . 167 TYR HE1 . 6620 1 1380 . 1 1 172 172 TYR HE2 H 1 6.401 0.020 . 1 . . . . 167 TYR HE2 . 6620 1 1381 . 1 1 172 172 TYR CA C 13 57.099 0.150 . 1 . . . . 167 TYR CA . 6620 1 1382 . 1 1 172 172 TYR CB C 13 39.104 0.150 . 1 . . . . 167 TYR CB . 6620 1 1383 . 1 1 172 172 TYR CD1 C 13 133.973 0.150 . 3 . . . . 167 TYR CD1 . 6620 1 1384 . 1 1 172 172 TYR CE1 C 13 117.941 0.150 . 3 . . . . 167 TYR CE1 . 6620 1 1385 . 1 1 172 172 TYR N N 15 120.184 0.150 . 1 . . . . 167 TYR N . 6620 1 1386 . 1 1 173 173 TYR H H 1 8.982 0.020 . 1 . . . . 168 TYR HN . 6620 1 1387 . 1 1 173 173 TYR HA H 1 5.588 0.020 . 1 . . . . 168 TYR HA . 6620 1 1388 . 1 1 173 173 TYR HB2 H 1 2.921 0.020 . 2 . . . . 168 TYR HB2 . 6620 1 1389 . 1 1 173 173 TYR HB3 H 1 2.400 0.020 . 2 . . . . 168 TYR HB3 . 6620 1 1390 . 1 1 173 173 TYR HD1 H 1 6.819 0.020 . 1 . . . . 168 TYR HD1 . 6620 1 1391 . 1 1 173 173 TYR HD2 H 1 6.819 0.020 . 1 . . . . 168 TYR HD2 . 6620 1 1392 . 1 1 173 173 TYR HE1 H 1 6.501 0.020 . 1 . . . . 168 TYR HE1 . 6620 1 1393 . 1 1 173 173 TYR HE2 H 1 6.501 0.020 . 1 . . . . 168 TYR HE2 . 6620 1 1394 . 1 1 173 173 TYR CA C 13 56.104 0.150 . 1 . . . . 168 TYR CA . 6620 1 1395 . 1 1 173 173 TYR CB C 13 42.191 0.150 . 1 . . . . 168 TYR CB . 6620 1 1396 . 1 1 173 173 TYR CD1 C 13 132.591 0.150 . 3 . . . . 168 TYR CD1 . 6620 1 1397 . 1 1 173 173 TYR CE1 C 13 118.459 0.150 . 3 . . . . 168 TYR CE1 . 6620 1 1398 . 1 1 173 173 TYR N N 15 113.504 0.150 . 1 . . . . 168 TYR N . 6620 1 1399 . 1 1 174 174 CYS H H 1 8.655 0.020 . 1 . . . . 169 CYS HN . 6620 1 1400 . 1 1 174 174 CYS HA H 1 4.634 0.020 . 1 . . . . 169 CYS HA . 6620 1 1401 . 1 1 174 174 CYS HB2 H 1 2.900 0.020 . 2 . . . . 169 CYS HB2 . 6620 1 1402 . 1 1 174 174 CYS CA C 13 55.861 0.150 . 1 . . . . 169 CYS CA . 6620 1 1403 . 1 1 174 174 CYS CB C 13 31.545 0.150 . 1 . . . . 169 CYS CB . 6620 1 1404 . 1 1 174 174 CYS N N 15 118.899 0.150 . 1 . . . . 169 CYS N . 6620 1 1405 . 1 1 175 175 ALA H H 1 8.641 0.020 . 1 . . . . 170 ALA HN . 6620 1 1406 . 1 1 175 175 ALA HA H 1 5.147 0.020 . 1 . . . . 170 ALA HA . 6620 1 1407 . 1 1 175 175 ALA HB1 H 1 0.385 0.020 . 1 . . . . 170 ALA HB . 6620 1 1408 . 1 1 175 175 ALA HB2 H 1 0.385 0.020 . 1 . . . . 170 ALA HB . 6620 1 1409 . 1 1 175 175 ALA HB3 H 1 0.385 0.020 . 1 . . . . 170 ALA HB . 6620 1 1410 . 1 1 175 175 ALA CA C 13 50.604 0.150 . 1 . . . . 170 ALA CA . 6620 1 1411 . 1 1 175 175 ALA CB C 13 22.130 0.150 . 1 . . . . 170 ALA CB . 6620 1 1412 . 1 1 175 175 ALA N N 15 121.708 0.150 . 1 . . . . 170 ALA N . 6620 1 1413 . 1 1 176 176 GLY H H 1 8.528 0.020 . 1 . . . . 171 GLY HN . 6620 1 1414 . 1 1 176 176 GLY HA2 H 1 5.119 0.020 . 2 . . . . 171 GLY HA1 . 6620 1 1415 . 1 1 176 176 GLY HA3 H 1 4.321 0.020 . 2 . . . . 171 GLY HA2 . 6620 1 1416 . 1 1 176 176 GLY CA C 13 46.074 0.150 . 1 . . . . 171 GLY CA . 6620 1 1417 . 1 1 176 176 GLY N N 15 109.137 0.150 . 1 . . . . 171 GLY N . 6620 1 1418 . 1 1 177 177 TYR H H 1 7.754 0.020 . 1 . . . . 172 TYR HN . 6620 1 1419 . 1 1 177 177 TYR HA H 1 4.549 0.020 . 1 . . . . 172 TYR HA . 6620 1 1420 . 1 1 177 177 TYR HB2 H 1 3.259 0.020 . 2 . . . . 172 TYR HB2 . 6620 1 1421 . 1 1 177 177 TYR HB3 H 1 2.962 0.020 . 2 . . . . 172 TYR HB3 . 6620 1 1422 . 1 1 177 177 TYR HD1 H 1 7.130 0.020 . 1 . . . . 172 TYR HD1 . 6620 1 1423 . 1 1 177 177 TYR HD2 H 1 7.130 0.020 . 1 . . . . 172 TYR HD2 . 6620 1 1424 . 1 1 177 177 TYR HE1 H 1 6.665 0.020 . 1 . . . . 172 TYR HE1 . 6620 1 1425 . 1 1 177 177 TYR HE2 H 1 6.665 0.020 . 1 . . . . 172 TYR HE2 . 6620 1 1426 . 1 1 177 177 TYR CA C 13 59.987 0.150 . 1 . . . . 172 TYR CA . 6620 1 1427 . 1 1 177 177 TYR CB C 13 40.573 0.150 . 1 . . . . 172 TYR CB . 6620 1 1428 . 1 1 177 177 TYR CD1 C 13 133.988 0.150 . 3 . . . . 172 TYR CD1 . 6620 1 1429 . 1 1 177 177 TYR CE1 C 13 117.941 0.150 . 3 . . . . 172 TYR CE1 . 6620 1 1430 . 1 1 177 177 TYR N N 15 120.708 0.150 . 1 . . . . 172 TYR N . 6620 1 1431 . 1 1 178 178 ASP H H 1 7.723 0.020 . 1 . . . . 173 ASP HN . 6620 1 1432 . 1 1 178 178 ASP HA H 1 5.335 0.020 . 1 . . . . 173 ASP HA . 6620 1 1433 . 1 1 178 178 ASP HB2 H 1 2.248 0.020 . 2 . . . . 173 ASP HB2 . 6620 1 1434 . 1 1 178 178 ASP HB3 H 1 2.500 0.020 . 2 . . . . 173 ASP HB3 . 6620 1 1435 . 1 1 178 178 ASP CA C 13 53.516 0.150 . 1 . . . . 173 ASP CA . 6620 1 1436 . 1 1 178 178 ASP CB C 13 45.427 0.150 . 1 . . . . 173 ASP CB . 6620 1 1437 . 1 1 178 178 ASP N N 15 116.794 0.150 . 1 . . . . 173 ASP N . 6620 1 1438 . 1 1 179 179 PRO HD2 H 1 3.473 0.020 . 1 . . . . 174 PRO HD2 . 6620 1 1439 . 1 1 179 179 PRO HD3 H 1 3.473 0.020 . 1 . . . . 174 PRO HD3 . 6620 1 1440 . 1 1 179 179 PRO CD C 13 50.604 0.150 . 1 . . . . 174 PRO CD . 6620 1 1441 . 1 1 180 180 PRO HA H 1 3.995 0.020 . 1 . . . . 175 PRO HA . 6620 1 1442 . 1 1 180 180 PRO HB2 H 1 2.318 0.020 . 2 . . . . 175 PRO HB2 . 6620 1 1443 . 1 1 180 180 PRO HB3 H 1 1.865 0.020 . 2 . . . . 175 PRO HB3 . 6620 1 1444 . 1 1 180 180 PRO HG2 H 1 2.116 0.020 . 2 . . . . 175 PRO HG2 . 6620 1 1445 . 1 1 180 180 PRO HD2 H 1 3.846 0.020 . 2 . . . . 175 PRO HD2 . 6620 1 1446 . 1 1 180 180 PRO CA C 13 63.870 0.150 . 1 . . . . 175 PRO CA . 6620 1 1447 . 1 1 180 180 PRO CB C 13 33.455 0.150 . 1 . . . . 175 PRO CB . 6620 1 1448 . 1 1 180 180 PRO CD C 13 51.574 0.150 . 1 . . . . 175 PRO CD . 6620 1 1449 . 1 1 181 181 MET H H 1 10.175 0.020 . 1 . . . . 176 MET HN . 6620 1 1450 . 1 1 181 181 MET HA H 1 4.132 0.020 . 1 . . . . 176 MET HA . 6620 1 1451 . 1 1 181 181 MET HB2 H 1 2.027 0.020 . 2 . . . . 176 MET HB2 . 6620 1 1452 . 1 1 181 181 MET N N 15 123.737 0.150 . 1 . . . . 176 MET N . 6620 1 1453 . 1 1 183 183 PRO HA H 1 4.510 0.020 . 1 . . . . 178 PRO HA . 6620 1 1454 . 1 1 183 183 PRO HB2 H 1 2.101 0.020 . 2 . . . . 178 PRO HB2 . 6620 1 1455 . 1 1 183 183 PRO HB3 H 1 1.497 0.020 . 2 . . . . 178 PRO HB3 . 6620 1 1456 . 1 1 183 183 PRO HG2 H 1 1.922 0.020 . 2 . . . . 178 PRO HG2 . 6620 1 1457 . 1 1 183 183 PRO HG3 H 1 1.748 0.020 . 2 . . . . 178 PRO HG3 . 6620 1 1458 . 1 1 183 183 PRO HD2 H 1 4.079 0.020 . 2 . . . . 178 PRO HD2 . 6620 1 1459 . 1 1 183 183 PRO HD3 H 1 3.652 0.020 . 2 . . . . 178 PRO HD3 . 6620 1 1460 . 1 1 183 183 PRO CA C 13 64.835 0.150 . 1 . . . . 178 PRO CA . 6620 1 1461 . 1 1 183 183 PRO CB C 13 32.484 0.150 . 1 . . . . 178 PRO CB . 6620 1 1462 . 1 1 183 183 PRO CG C 13 26.984 0.150 . 1 . . . . 178 PRO CG . 6620 1 1463 . 1 1 183 183 PRO CD C 13 51.251 0.150 . 1 . . . . 178 PRO CD . 6620 1 1464 . 1 1 184 184 TYR H H 1 7.057 0.020 . 1 . . . . 179 TYR HN . 6620 1 1465 . 1 1 184 184 TYR HA H 1 4.951 0.020 . 1 . . . . 179 TYR HA . 6620 1 1466 . 1 1 184 184 TYR HB2 H 1 2.881 0.020 . 2 . . . . 179 TYR HB2 . 6620 1 1467 . 1 1 184 184 TYR HB3 H 1 3.102 0.020 . 2 . . . . 179 TYR HB3 . 6620 1 1468 . 1 1 184 184 TYR HD1 H 1 7.081 0.020 . 1 . . . . 179 TYR HD1 . 6620 1 1469 . 1 1 184 184 TYR HD2 H 1 7.081 0.020 . 1 . . . . 179 TYR HD2 . 6620 1 1470 . 1 1 184 184 TYR HE1 H 1 6.841 0.020 . 1 . . . . 179 TYR HE1 . 6620 1 1471 . 1 1 184 184 TYR HE2 H 1 6.841 0.020 . 1 . . . . 179 TYR HE2 . 6620 1 1472 . 1 1 184 184 TYR CA C 13 55.781 0.150 . 1 . . . . 179 TYR CA . 6620 1 1473 . 1 1 184 184 TYR CB C 13 40.667 0.150 . 1 . . . . 179 TYR CB . 6620 1 1474 . 1 1 184 184 TYR CD1 C 13 133.742 0.150 . 3 . . . . 179 TYR CD1 . 6620 1 1475 . 1 1 184 184 TYR CE1 C 13 118.976 0.150 . 3 . . . . 179 TYR CE1 . 6620 1 1476 . 1 1 184 184 TYR N N 15 115.816 0.150 . 1 . . . . 179 TYR N . 6620 1 1477 . 1 1 186 186 ARG CA C 13 60.247 0.150 . 1 . . . . 181 ARG CA . 6620 1 1478 . 1 1 187 187 ARG H H 1 9.588 0.020 . 1 . . . . 182 ARG HN . 6620 1 1479 . 1 1 187 187 ARG HA H 1 4.361 0.020 . 1 . . . . 182 ARG HA . 6620 1 1480 . 1 1 187 187 ARG HB2 H 1 1.143 0.020 . 2 . . . . 182 ARG HB2 . 6620 1 1481 . 1 1 187 187 ARG CA C 13 56.187 0.150 . 1 . . . . 182 ARG CA . 6620 1 1482 . 1 1 187 187 ARG CB C 13 34.548 0.150 . 1 . . . . 182 ARG CB . 6620 1 1483 . 1 1 187 187 ARG N N 15 122.254 0.150 . 1 . . . . 182 ARG N . 6620 1 1484 . 1 1 188 188 ASN H H 1 8.474 0.020 . 1 . . . . 183 ASN HN . 6620 1 1485 . 1 1 188 188 ASN HA H 1 5.463 0.020 . 1 . . . . 183 ASN HA . 6620 1 1486 . 1 1 188 188 ASN HB2 H 1 1.892 0.020 . 2 . . . . 183 ASN HB2 . 6620 1 1487 . 1 1 188 188 ASN HB3 H 1 0.600 0.020 . 2 . . . . 183 ASN HB3 . 6620 1 1488 . 1 1 188 188 ASN CA C 13 50.927 0.150 . 1 . . . . 183 ASN CA . 6620 1 1489 . 1 1 188 188 ASN CB C 13 42.838 0.150 . 1 . . . . 183 ASN CB . 6620 1 1490 . 1 1 188 188 ASN N N 15 121.675 0.150 . 1 . . . . 183 ASN N . 6620 1 1491 . 1 1 189 189 GLU H H 1 8.853 0.020 . 1 . . . . 184 GLU HN . 6620 1 1492 . 1 1 189 189 GLU HA H 1 5.450 0.020 . 1 . . . . 184 GLU HA . 6620 1 1493 . 1 1 189 189 GLU HB2 H 1 1.913 0.020 . 2 . . . . 184 GLU HB2 . 6620 1 1494 . 1 1 189 189 GLU HB3 H 1 2.466 0.020 . 2 . . . . 184 GLU HB3 . 6620 1 1495 . 1 1 189 189 GLU HG2 H 1 2.465 0.020 . 2 . . . . 184 GLU HG2 . 6620 1 1496 . 1 1 189 189 GLU HG3 H 1 2.318 0.020 . 2 . . . . 184 GLU HG3 . 6620 1 1497 . 1 1 189 189 GLU CA C 13 54.377 0.150 . 1 . . . . 184 GLU CA . 6620 1 1498 . 1 1 189 189 GLU CB C 13 35.980 0.150 . 1 . . . . 184 GLU CB . 6620 1 1499 . 1 1 189 189 GLU CG C 13 35.396 0.150 . 1 . . . . 184 GLU CG . 6620 1 1500 . 1 1 189 189 GLU N N 15 117.727 0.150 . 1 . . . . 184 GLU N . 6620 1 1501 . 1 1 190 190 VAL H H 1 8.119 0.020 . 1 . . . . 185 VAL HN . 6620 1 1502 . 1 1 190 190 VAL HA H 1 4.821 0.020 . 1 . . . . 185 VAL HA . 6620 1 1503 . 1 1 190 190 VAL HB H 1 1.918 0.020 . 1 . . . . 185 VAL HB . 6620 1 1504 . 1 1 190 190 VAL HG11 H 1 1.145 0.020 . 2 . . . . 185 VAL HG1 . 6620 1 1505 . 1 1 190 190 VAL HG12 H 1 1.145 0.020 . 2 . . . . 185 VAL HG1 . 6620 1 1506 . 1 1 190 190 VAL HG13 H 1 1.145 0.020 . 2 . . . . 185 VAL HG1 . 6620 1 1507 . 1 1 190 190 VAL CA C 13 61.928 0.150 . 1 . . . . 185 VAL CA . 6620 1 1508 . 1 1 190 190 VAL CB C 13 35.889 0.150 . 1 . . . . 185 VAL CB . 6620 1 1509 . 1 1 190 190 VAL N N 15 116.330 0.150 . 1 . . . . 185 VAL N . 6620 1 1510 . 1 1 191 191 TRP H H 1 9.679 0.020 . 1 . . . . 186 TRP HN . 6620 1 1511 . 1 1 191 191 TRP HA H 1 5.781 0.020 . 1 . . . . 186 TRP HA . 6620 1 1512 . 1 1 191 191 TRP HB2 H 1 3.554 0.020 . 2 . . . . 186 TRP HB2 . 6620 1 1513 . 1 1 191 191 TRP HB3 H 1 2.647 0.020 . 2 . . . . 186 TRP HB3 . 6620 1 1514 . 1 1 191 191 TRP HD1 H 1 6.941 0.020 . 1 . . . . 186 TRP HD1 . 6620 1 1515 . 1 1 191 191 TRP HE1 H 1 10.496 0.020 . 1 . . . . 186 TRP HE1 . 6620 1 1516 . 1 1 191 191 TRP HE3 H 1 6.763 0.020 . 1 . . . . 186 TRP HE3 . 6620 1 1517 . 1 1 191 191 TRP HZ2 H 1 6.612 0.020 . 1 . . . . 186 TRP HZ2 . 6620 1 1518 . 1 1 191 191 TRP HZ3 H 1 6.162 0.020 . 1 . . . . 186 TRP HZ3 . 6620 1 1519 . 1 1 191 191 TRP HH2 H 1 5.683 0.020 . 1 . . . . 186 TRP HH2 . 6620 1 1520 . 1 1 191 191 TRP CA C 13 52.545 0.150 . 1 . . . . 186 TRP CA . 6620 1 1521 . 1 1 191 191 TRP CB C 13 32.484 0.150 . 1 . . . . 186 TRP CB . 6620 1 1522 . 1 1 191 191 TRP CD1 C 13 123.118 0.150 . 1 . . . . 186 TRP CD1 . 6620 1 1523 . 1 1 191 191 TRP CE3 C 13 119.494 0.150 . 1 . . . . 186 TRP CE3 . 6620 1 1524 . 1 1 191 191 TRP CZ2 C 13 112.812 0.150 . 1 . . . . 186 TRP CZ2 . 6620 1 1525 . 1 1 191 191 TRP CZ3 C 13 121.047 0.150 . 1 . . . . 186 TRP CZ3 . 6620 1 1526 . 1 1 191 191 TRP CH2 C 13 123.635 0.150 . 1 . . . . 186 TRP CH2 . 6620 1 1527 . 1 1 191 191 TRP N N 15 125.322 0.150 . 1 . . . . 186 TRP N . 6620 1 1528 . 1 1 191 191 TRP NE1 N 15 129.148 0.150 . 1 . . . . 186 TRP NE1 . 6620 1 1529 . 1 1 192 192 LEU H H 1 8.981 0.020 . 1 . . . . 187 LEU HN . 6620 1 1530 . 1 1 192 192 LEU HA H 1 5.109 0.020 . 1 . . . . 187 LEU HA . 6620 1 1531 . 1 1 192 192 LEU HB2 H 1 1.507 0.020 . 2 . . . . 187 LEU HB2 . 6620 1 1532 . 1 1 192 192 LEU HB3 H 1 1.248 0.020 . 2 . . . . 187 LEU HB3 . 6620 1 1533 . 1 1 192 192 LEU CA C 13 53.839 0.150 . 1 . . . . 187 LEU CA . 6620 1 1534 . 1 1 192 192 LEU CB C 13 43.162 0.150 . 1 . . . . 187 LEU CB . 6620 1 1535 . 1 1 192 192 LEU N N 15 122.703 0.150 . 1 . . . . 187 LEU N . 6620 1 1536 . 1 1 193 193 VAL H H 1 10.143 0.020 . 1 . . . . 188 VAL HN . 6620 1 1537 . 1 1 193 193 VAL HA H 1 4.110 0.020 . 1 . . . . 188 VAL HA . 6620 1 1538 . 1 1 193 193 VAL HB H 1 2.124 0.020 . 1 . . . . 188 VAL HB . 6620 1 1539 . 1 1 193 193 VAL HG11 H 1 1.090 0.020 . 2 . . . . 188 VAL HG1 . 6620 1 1540 . 1 1 193 193 VAL HG12 H 1 1.090 0.020 . 2 . . . . 188 VAL HG1 . 6620 1 1541 . 1 1 193 193 VAL HG13 H 1 1.090 0.020 . 2 . . . . 188 VAL HG1 . 6620 1 1542 . 1 1 193 193 VAL HG21 H 1 1.139 0.020 . 2 . . . . 188 VAL HG2 . 6620 1 1543 . 1 1 193 193 VAL HG22 H 1 1.139 0.020 . 2 . . . . 188 VAL HG2 . 6620 1 1544 . 1 1 193 193 VAL HG23 H 1 1.139 0.020 . 2 . . . . 188 VAL HG2 . 6620 1 1545 . 1 1 193 193 VAL CA C 13 63.100 0.150 . 1 . . . . 188 VAL CA . 6620 1 1546 . 1 1 193 193 VAL CB C 13 32.931 0.150 . 1 . . . . 188 VAL CB . 6620 1 1547 . 1 1 193 193 VAL CG1 C 13 21.813 0.150 . 1 . . . . 188 VAL CG1 . 6620 1 1548 . 1 1 193 193 VAL CG2 C 13 23.101 0.150 . 1 . . . . 188 VAL CG2 . 6620 1 1549 . 1 1 193 193 VAL N N 15 125.322 0.150 . 1 . . . . 188 VAL N . 6620 1 1550 . 1 1 194 194 LYS H H 1 8.641 0.020 . 1 . . . . 189 LYS HN . 6620 1 1551 . 1 1 194 194 LYS HA H 1 4.576 0.020 . 1 . . . . 189 LYS HA . 6620 1 1552 . 1 1 194 194 LYS HB2 H 1 1.532 0.020 . 2 . . . . 189 LYS HB2 . 6620 1 1553 . 1 1 194 194 LYS CA C 13 57.935 0.150 . 1 . . . . 189 LYS CA . 6620 1 1554 . 1 1 194 194 LYS CB C 13 34.277 0.150 . 1 . . . . 189 LYS CB . 6620 1 1555 . 1 1 194 194 LYS N N 15 130.410 0.150 . 1 . . . . 189 LYS N . 6620 1 1556 . 1 1 195 195 ALA H H 1 7.857 0.020 . 1 . . . . 190 ALA HN . 6620 1 1557 . 1 1 195 195 ALA HA H 1 4.255 0.020 . 1 . . . . 190 ALA HA . 6620 1 1558 . 1 1 195 195 ALA HB1 H 1 1.155 0.020 . 1 . . . . 190 ALA HB . 6620 1 1559 . 1 1 195 195 ALA HB2 H 1 1.155 0.020 . 1 . . . . 190 ALA HB . 6620 1 1560 . 1 1 195 195 ALA HB3 H 1 1.155 0.020 . 1 . . . . 190 ALA HB . 6620 1 1561 . 1 1 195 195 ALA CA C 13 53.140 0.150 . 1 . . . . 190 ALA CA . 6620 1 1562 . 1 1 195 195 ALA CB C 13 21.261 0.150 . 1 . . . . 190 ALA CB . 6620 1 1563 . 1 1 195 195 ALA N N 15 135.654 0.150 . 1 . . . . 190 ALA N . 6620 1 stop_ save_