data_16276 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16276 _Entry.Title ; NMR structure of the SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-05 _Entry.Accession_date 2009-05-05 _Entry.Last_release_date 2010-05-06 _Entry.Original_release_date 2010-05-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 William Erbil W. K. . 16276 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16276 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID H-NOX . 16276 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16276 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 709 16276 '15N chemical shifts' 176 16276 '1H chemical shifts' 1206 16276 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-05-06 2009-05-05 original author . 16276 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16278 'NMR structure of the H103G mutant SO2144 H-NOX domain from Shewanella oneidensis in the Fe(II)CO ligation state' 16276 PDB 2KII 'BMRB Entry Tracking System' 16276 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16276 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19918063 _Citation.Full_citation . _Citation.Title 'A structural basis for H-NOX signaling in Shewanella oneidensis by trapping a histidine kinase inhibitory conformation.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 106 _Citation.Journal_issue 47 _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 19753 _Citation.Page_last 19760 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'W. Kaya' Erbil . . . 16276 1 2 Mark Price . S. . 16276 1 3 David Wemmer . E. . 16276 1 4 Michael Marletta . A. . 16276 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16276 _Assembly.ID 1 _Assembly.Name SO2144 _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 SO2144 1 $SO2144 A . yes native no no . . . 16276 1 2 CMO 2 $CMO B . no native no no . . . 16276 1 3 'PROTOPORPHYRIN IX CONTAINING FE' 3 $HEM C . yes native no no . . . 16276 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SO2144 _Entity.Sf_category entity _Entity.Sf_framecode SO2144 _Entity.Entry_ID 16276 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SO2144 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MKGIIFNVLEDMVVAQCGMS VWNELLEKHAPKDRVYVSAK SYAESELFSIVQDVAQRLNM PIQDVVKAFGQFLFNGLASR HTDVVDKFDDFTSLVMGIHD VIHLEVNKLYHEPSLPHING QLLPNNQIALRYSSPRRLCF CAEGLLFGAAQHFQQKIQIS HDTCMHTGADHCMLIIELQN D ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 181 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20534.734 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16278 . SO2144 . . . . . 100.00 181 99.45 99.45 9.46e-130 . . . . 16276 1 2 no PDB 2KII . "Nmr Structure Of The So2144 H-Nox Domain From Shewanella Oneidensis In The Fe(Ii)co Ligation State" . . . . . 100.00 181 100.00 100.00 4.33e-131 . . . . 16276 1 3 no PDB 2KIL . "Nmr Structure Of The H103g Mutant So2144 H-Nox Domain From Shewanella Oneidensis In The Fe(Ii)co Ligation State" . . . . . 100.00 181 99.45 99.45 9.46e-130 . . . . 16276 1 4 no PDB 4U99 . "Crystal Structure Of An H-nox Protein From S. Oneidensis In The Fe(ii) Ligation State, Q154a/q155a/k156a Mutant" . . . . . 100.00 187 98.34 98.34 1.51e-128 . . . . 16276 1 5 no PDB 4U9B . "Crystal Structure Of An H-nox Protein From S. Oneidensis In The Fe(ii)no Ligation State" . . . . . 100.00 187 100.00 100.00 5.28e-131 . . . . 16276 1 6 no PDB 4U9G . "Crystal Structure Of An H-nox Protein From S. Oneidensis In The Fe(ii)co Ligation State, Q154a/q155a/k156a Mutant" . . . . . 100.00 187 98.34 98.34 1.51e-128 . . . . 16276 1 7 no PDB 4U9J . "Crystal Structure Of An H-nox Protein From S. Oneidensis In The Mn(ii) Ligation State, Q154a/q155a/k156a Mutant" . . . . . 100.00 187 98.34 98.34 1.51e-128 . . . . 16276 1 8 no PDB 4U9K . "Crystal Structure Of An H-nox Protein From S. Oneidensis In The Mn(ii)no Ligation State, Q154a/q155a/k156a Mutant" . . . . . 100.00 187 98.34 98.34 1.51e-128 . . . . 16276 1 9 no GB AAN55189 . "NO-binding heme-dependent sensor protein [Shewanella oneidensis MR-1]" . . . . . 100.00 181 100.00 100.00 4.33e-131 . . . . 16276 1 10 no REF NP_717745 . "NO-binding heme-dependent sensor protein [Shewanella oneidensis MR-1]" . . . . . 100.00 181 100.00 100.00 4.33e-131 . . . . 16276 1 11 no REF WP_011072197 . "hypothetical protein [Shewanella oneidensis]" . . . . . 100.00 181 100.00 100.00 4.33e-131 . . . . 16276 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16276 1 2 . LYS . 16276 1 3 . GLY . 16276 1 4 . ILE . 16276 1 5 . ILE . 16276 1 6 . PHE . 16276 1 7 . ASN . 16276 1 8 . VAL . 16276 1 9 . LEU . 16276 1 10 . GLU . 16276 1 11 . ASP . 16276 1 12 . MET . 16276 1 13 . VAL . 16276 1 14 . VAL . 16276 1 15 . ALA . 16276 1 16 . GLN . 16276 1 17 . CYS . 16276 1 18 . GLY . 16276 1 19 . MET . 16276 1 20 . SER . 16276 1 21 . VAL . 16276 1 22 . TRP . 16276 1 23 . ASN . 16276 1 24 . GLU . 16276 1 25 . LEU . 16276 1 26 . LEU . 16276 1 27 . GLU . 16276 1 28 . LYS . 16276 1 29 . HIS . 16276 1 30 . ALA . 16276 1 31 . PRO . 16276 1 32 . LYS . 16276 1 33 . ASP . 16276 1 34 . ARG . 16276 1 35 . VAL . 16276 1 36 . TYR . 16276 1 37 . VAL . 16276 1 38 . SER . 16276 1 39 . ALA . 16276 1 40 . LYS . 16276 1 41 . SER . 16276 1 42 . TYR . 16276 1 43 . ALA . 16276 1 44 . GLU . 16276 1 45 . SER . 16276 1 46 . GLU . 16276 1 47 . LEU . 16276 1 48 . PHE . 16276 1 49 . SER . 16276 1 50 . ILE . 16276 1 51 . VAL . 16276 1 52 . GLN . 16276 1 53 . ASP . 16276 1 54 . VAL . 16276 1 55 . ALA . 16276 1 56 . GLN . 16276 1 57 . ARG . 16276 1 58 . LEU . 16276 1 59 . ASN . 16276 1 60 . MET . 16276 1 61 . PRO . 16276 1 62 . ILE . 16276 1 63 . GLN . 16276 1 64 . ASP . 16276 1 65 . VAL . 16276 1 66 . VAL . 16276 1 67 . LYS . 16276 1 68 . ALA . 16276 1 69 . PHE . 16276 1 70 . GLY . 16276 1 71 . GLN . 16276 1 72 . PHE . 16276 1 73 . LEU . 16276 1 74 . PHE . 16276 1 75 . ASN . 16276 1 76 . GLY . 16276 1 77 . LEU . 16276 1 78 . ALA . 16276 1 79 . SER . 16276 1 80 . ARG . 16276 1 81 . HIS . 16276 1 82 . THR . 16276 1 83 . ASP . 16276 1 84 . VAL . 16276 1 85 . VAL . 16276 1 86 . ASP . 16276 1 87 . LYS . 16276 1 88 . PHE . 16276 1 89 . ASP . 16276 1 90 . ASP . 16276 1 91 . PHE . 16276 1 92 . THR . 16276 1 93 . SER . 16276 1 94 . LEU . 16276 1 95 . VAL . 16276 1 96 . MET . 16276 1 97 . GLY . 16276 1 98 . ILE . 16276 1 99 . HIS . 16276 1 100 . ASP . 16276 1 101 . VAL . 16276 1 102 . ILE . 16276 1 103 . HIS . 16276 1 104 . LEU . 16276 1 105 . GLU . 16276 1 106 . VAL . 16276 1 107 . ASN . 16276 1 108 . LYS . 16276 1 109 . LEU . 16276 1 110 . TYR . 16276 1 111 . HIS . 16276 1 112 . GLU . 16276 1 113 . PRO . 16276 1 114 . SER . 16276 1 115 . LEU . 16276 1 116 . PRO . 16276 1 117 . HIS . 16276 1 118 . ILE . 16276 1 119 . ASN . 16276 1 120 . GLY . 16276 1 121 . GLN . 16276 1 122 . LEU . 16276 1 123 . LEU . 16276 1 124 . PRO . 16276 1 125 . ASN . 16276 1 126 . ASN . 16276 1 127 . GLN . 16276 1 128 . ILE . 16276 1 129 . ALA . 16276 1 130 . LEU . 16276 1 131 . ARG . 16276 1 132 . TYR . 16276 1 133 . SER . 16276 1 134 . SER . 16276 1 135 . PRO . 16276 1 136 . ARG . 16276 1 137 . ARG . 16276 1 138 . LEU . 16276 1 139 . CYS . 16276 1 140 . PHE . 16276 1 141 . CYS . 16276 1 142 . ALA . 16276 1 143 . GLU . 16276 1 144 . GLY . 16276 1 145 . LEU . 16276 1 146 . LEU . 16276 1 147 . PHE . 16276 1 148 . GLY . 16276 1 149 . ALA . 16276 1 150 . ALA . 16276 1 151 . GLN . 16276 1 152 . HIS . 16276 1 153 . PHE . 16276 1 154 . GLN . 16276 1 155 . GLN . 16276 1 156 . LYS . 16276 1 157 . ILE . 16276 1 158 . GLN . 16276 1 159 . ILE . 16276 1 160 . SER . 16276 1 161 . HIS . 16276 1 162 . ASP . 16276 1 163 . THR . 16276 1 164 . CYS . 16276 1 165 . MET . 16276 1 166 . HIS . 16276 1 167 . THR . 16276 1 168 . GLY . 16276 1 169 . ALA . 16276 1 170 . ASP . 16276 1 171 . HIS . 16276 1 172 . CYS . 16276 1 173 . MET . 16276 1 174 . LEU . 16276 1 175 . ILE . 16276 1 176 . ILE . 16276 1 177 . GLU . 16276 1 178 . LEU . 16276 1 179 . GLN . 16276 1 180 . ASN . 16276 1 181 . ASP . 16276 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 16276 1 . LYS 2 2 16276 1 . GLY 3 3 16276 1 . ILE 4 4 16276 1 . ILE 5 5 16276 1 . PHE 6 6 16276 1 . ASN 7 7 16276 1 . VAL 8 8 16276 1 . LEU 9 9 16276 1 . GLU 10 10 16276 1 . ASP 11 11 16276 1 . MET 12 12 16276 1 . VAL 13 13 16276 1 . VAL 14 14 16276 1 . ALA 15 15 16276 1 . GLN 16 16 16276 1 . CYS 17 17 16276 1 . GLY 18 18 16276 1 . MET 19 19 16276 1 . SER 20 20 16276 1 . VAL 21 21 16276 1 . TRP 22 22 16276 1 . ASN 23 23 16276 1 . GLU 24 24 16276 1 . LEU 25 25 16276 1 . LEU 26 26 16276 1 . GLU 27 27 16276 1 . LYS 28 28 16276 1 . HIS 29 29 16276 1 . ALA 30 30 16276 1 . PRO 31 31 16276 1 . LYS 32 32 16276 1 . ASP 33 33 16276 1 . ARG 34 34 16276 1 . VAL 35 35 16276 1 . TYR 36 36 16276 1 . VAL 37 37 16276 1 . SER 38 38 16276 1 . ALA 39 39 16276 1 . LYS 40 40 16276 1 . SER 41 41 16276 1 . TYR 42 42 16276 1 . ALA 43 43 16276 1 . GLU 44 44 16276 1 . SER 45 45 16276 1 . GLU 46 46 16276 1 . LEU 47 47 16276 1 . PHE 48 48 16276 1 . SER 49 49 16276 1 . ILE 50 50 16276 1 . VAL 51 51 16276 1 . GLN 52 52 16276 1 . ASP 53 53 16276 1 . VAL 54 54 16276 1 . ALA 55 55 16276 1 . GLN 56 56 16276 1 . ARG 57 57 16276 1 . LEU 58 58 16276 1 . ASN 59 59 16276 1 . MET 60 60 16276 1 . PRO 61 61 16276 1 . ILE 62 62 16276 1 . GLN 63 63 16276 1 . ASP 64 64 16276 1 . VAL 65 65 16276 1 . VAL 66 66 16276 1 . LYS 67 67 16276 1 . ALA 68 68 16276 1 . PHE 69 69 16276 1 . GLY 70 70 16276 1 . GLN 71 71 16276 1 . PHE 72 72 16276 1 . LEU 73 73 16276 1 . PHE 74 74 16276 1 . ASN 75 75 16276 1 . GLY 76 76 16276 1 . LEU 77 77 16276 1 . ALA 78 78 16276 1 . SER 79 79 16276 1 . ARG 80 80 16276 1 . HIS 81 81 16276 1 . THR 82 82 16276 1 . ASP 83 83 16276 1 . VAL 84 84 16276 1 . VAL 85 85 16276 1 . ASP 86 86 16276 1 . LYS 87 87 16276 1 . PHE 88 88 16276 1 . ASP 89 89 16276 1 . ASP 90 90 16276 1 . PHE 91 91 16276 1 . THR 92 92 16276 1 . SER 93 93 16276 1 . LEU 94 94 16276 1 . VAL 95 95 16276 1 . MET 96 96 16276 1 . GLY 97 97 16276 1 . ILE 98 98 16276 1 . HIS 99 99 16276 1 . ASP 100 100 16276 1 . VAL 101 101 16276 1 . ILE 102 102 16276 1 . HIS 103 103 16276 1 . LEU 104 104 16276 1 . GLU 105 105 16276 1 . VAL 106 106 16276 1 . ASN 107 107 16276 1 . LYS 108 108 16276 1 . LEU 109 109 16276 1 . TYR 110 110 16276 1 . HIS 111 111 16276 1 . GLU 112 112 16276 1 . PRO 113 113 16276 1 . SER 114 114 16276 1 . LEU 115 115 16276 1 . PRO 116 116 16276 1 . HIS 117 117 16276 1 . ILE 118 118 16276 1 . ASN 119 119 16276 1 . GLY 120 120 16276 1 . GLN 121 121 16276 1 . LEU 122 122 16276 1 . LEU 123 123 16276 1 . PRO 124 124 16276 1 . ASN 125 125 16276 1 . ASN 126 126 16276 1 . GLN 127 127 16276 1 . ILE 128 128 16276 1 . ALA 129 129 16276 1 . LEU 130 130 16276 1 . ARG 131 131 16276 1 . TYR 132 132 16276 1 . SER 133 133 16276 1 . SER 134 134 16276 1 . PRO 135 135 16276 1 . ARG 136 136 16276 1 . ARG 137 137 16276 1 . LEU 138 138 16276 1 . CYS 139 139 16276 1 . PHE 140 140 16276 1 . CYS 141 141 16276 1 . ALA 142 142 16276 1 . GLU 143 143 16276 1 . GLY 144 144 16276 1 . LEU 145 145 16276 1 . LEU 146 146 16276 1 . PHE 147 147 16276 1 . GLY 148 148 16276 1 . ALA 149 149 16276 1 . ALA 150 150 16276 1 . GLN 151 151 16276 1 . HIS 152 152 16276 1 . PHE 153 153 16276 1 . GLN 154 154 16276 1 . GLN 155 155 16276 1 . LYS 156 156 16276 1 . ILE 157 157 16276 1 . GLN 158 158 16276 1 . ILE 159 159 16276 1 . SER 160 160 16276 1 . HIS 161 161 16276 1 . ASP 162 162 16276 1 . THR 163 163 16276 1 . CYS 164 164 16276 1 . MET 165 165 16276 1 . HIS 166 166 16276 1 . THR 167 167 16276 1 . GLY 168 168 16276 1 . ALA 169 169 16276 1 . ASP 170 170 16276 1 . HIS 171 171 16276 1 . CYS 172 172 16276 1 . MET 173 173 16276 1 . LEU 174 174 16276 1 . ILE 175 175 16276 1 . ILE 176 176 16276 1 . GLU 177 177 16276 1 . LEU 178 178 16276 1 . GLN 179 179 16276 1 . ASN 180 180 16276 1 . ASP 181 181 16276 1 stop_ save_ save_CMO _Entity.Sf_category entity _Entity.Sf_framecode CMO _Entity.Entry_ID 16276 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name CMO _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID CMO _Entity.Nonpolymer_comp_label $chem_comp_CMO _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . CMO . 16276 2 stop_ save_ save_HEM _Entity.Sf_category entity _Entity.Sf_framecode HEM _Entity.Entry_ID 16276 _Entity.ID 3 _Entity.BMRB_code . _Entity.Name HEM _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer . _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID HEM _Entity.Nonpolymer_comp_label $chem_comp_HEM _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 3 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . HEM . 16276 3 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 16276 _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 $SO2144 . 211586 organism . 'Shewanella oneidensis' 'Shewanella oneidensis MR-1' . . Bacteria . Shewanella oneidensis . . . . . . . . . . . . . . . . SO2144 . . . . 16276 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 16276 _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 $SO2144 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)PLysS . . . . . . . . . . . . . . . pET20b . . . . . . 16276 1 2 2 $CMO . 'obtained from a vendor' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16276 1 3 3 $HEM . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3)PLysS . . . . . . . . . . . . . . . pET20b . . . . . . 16276 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_HEM _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_HEM _Chem_comp.Entry_ID 16276 _Chem_comp.ID HEM _Chem_comp.Provenance . _Chem_comp.Name 'PROTOPORPHYRIN IX CONTAINING FE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code HEM _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code HEM _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic yes _Chem_comp.Formula 'C34 H32 Fe N4 O4' _Chem_comp.Formula_weight 616.487 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag yes _Chem_comp.Model_coordinates_db_code 1A6M _Chem_comp.Processing_site RCSB _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 19:24:00 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES 'OpenEye OEToolkits' 1.5.0 16276 HEM Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC(=O)O)C SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16276 HEM CC1=C(CCC(O)=O)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES CACTVS 3.341 16276 HEM CC1=C(CCC(O)=O)C2=N3|[Fe]45|N6=C(C=c7n4c(=C2)c(CCC(O)=O)c7C)C(=C(C=C)C6=Cc8n5c(C=C13)c(C=C)c8C)C SMILES_CANONICAL CACTVS 3.341 16276 HEM InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;/fC34H32N4O4.Fe/h39,41H;/q-2;m/rC34H32FeN4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(40)41)31-16-32-24(10-12-34(42)43)20(6)28-15-30-22(8-2)18(4)27-14-29(21)36(25)35(37(27)30,38(26)31)39(28)32/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,40,41)(H,42,43)/f/h40,42H InChI InChI 1.02b 16276 HEM KABFMIBPWCXCRK-OSEZOLLWDJ InChIKey InChI 1.02b 16276 HEM stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1A . C1A . . C . . N 0 . . . . . . . . . . 15.320 . 30.527 . 6.185 . . . . . . 16276 HEM C1B . C1B . . C . . N 0 . . . . . . . . . . 13.423 . 26.879 . 7.368 . . . . . . 16276 HEM C1C . C1C . . C . . N 0 . . . . . . . . . . 13.834 . 25.344 . 3.365 . . . . . . 16276 HEM C1D . C1D . . C . . N 0 . . . . . . . . . . 15.682 . 29.076 . 2.164 . . . . . . 16276 HEM C2A . C2A . . C . . N 0 . . . . . . . . . . 15.292 . 31.177 . 7.500 . . . . . . 16276 HEM C2B . C2B . . C . . N 0 . . . . . . . . . . 12.776 . 25.680 . 7.928 . . . . . . 16276 HEM C2C . C2C . . C . . N 0 . . . . . . . . . . 14.050 . 24.629 . 2.134 . . . . . . 16276 HEM C2D . C2D . . C . . N 0 . . . . . . . . . . 16.362 . 30.195 . 1.608 . . . . . . 16276 HEM C3A . C3A . . C . . N 0 . . . . . . . . . . 14.744 . 30.264 . 8.355 . . . . . . 16276 HEM C3B . C3B . . C . . N 0 . . . . . . . . . . 12.644 . 24.800 . 6.938 . . . . . . 16276 HEM C3C . C3C . . C . . N 0 . . . . . . . . . . 14.671 . 25.493 . 1.316 . . . . . . 16276 HEM C3D . C3D . . C . . N 0 . . . . . . . . . . 16.570 . 31.069 . 2.646 . . . . . . 16276 HEM C4A . C4A . . C . . N 0 . . . . . . . . . . 14.411 . 29.112 . 7.593 . . . . . . 16276 HEM C4B . C4B . . C . . N 0 . . . . . . . . . . 13.185 . 25.434 . 5.760 . . . . . . 16276 HEM C4C . C4C . . C . . N 0 . . . . . . . . . . 14.805 . 26.752 . 2.018 . . . . . . 16276 HEM C4D . C4D . . C . . N 0 . . . . . . . . . . 15.937 . 30.499 . 3.808 . . . . . . 16276 HEM CAA . CAA . . C . . N 0 . . . . . . . . . . 15.687 . 32.583 . 7.757 . . . . . . 16276 HEM CAB . CAB . . C . . N 0 . . . . . . . . . . 12.101 . 23.393 . 6.989 . . . . . . 16276 HEM CAC . CAC . . C . . N 0 . . . . . . . . . . 15.240 . 25.293 . -0.044 . . . . . . 16276 HEM CAD . CAD . . C . . N 0 . . . . . . . . . . 17.387 . 32.329 . 2.587 . . . . . . 16276 HEM CBA . CBA . . C . . N 0 . . . . . . . . . . 14.458 . 33.524 . 7.976 . . . . . . 16276 HEM CBB . CBB . . C . . N 0 . . . . . . . . . . 12.295 . 22.586 . 8.017 . . . . . . 16276 HEM CBC . CBC . . C . . N 0 . . . . . . . . . . 15.157 . 24.199 . -0.766 . . . . . . 16276 HEM CBD . CBD . . C . . N 0 . . . . . . . . . . 18.889 . 32.017 . 2.859 . . . . . . 16276 HEM CGA . CGA . . C . . N 0 . . . . . . . . . . 13.561 . 33.534 . 6.775 . . . . . . 16276 HEM CGD . CGD . . C . . N 0 . . . . . . . . . . 19.762 . 33.226 . 2.747 . . . . . . 16276 HEM CHA . CHA . . C . . N 0 . . . . . . . . . . 15.904 . 31.066 . 5.050 . . . . . . 16276 HEM CHB . CHB . . C . . N 0 . . . . . . . . . . 13.782 . 28.006 . 8.099 . . . . . . 16276 HEM CHC . CHC . . C . . N 0 . . . . . . . . . . 13.251 . 24.817 . 4.509 . . . . . . 16276 HEM CHD . CHD . . C . . N 0 . . . . . . . . . . 15.381 . 27.908 . 1.499 . . . . . . 16276 HEM CMA . CMA . . C . . N 0 . . . . . . . . . . 14.477 . 30.428 . 9.835 . . . . . . 16276 HEM CMB . CMB . . C . . N 0 . . . . . . . . . . 12.364 . 25.564 . 9.367 . . . . . . 16276 HEM CMC . CMC . . C . . N 0 . . . . . . . . . . 13.686 . 23.193 . 1.908 . . . . . . 16276 HEM CMD . CMD . . C . . N 0 . . . . . . . . . . 16.872 . 30.306 . 0.198 . . . . . . 16276 HEM FE . FE . . FE . . N 0 . . . . . . . . . . 14.515 . 27.975 . 4.750 . . . . . . 16276 HEM H2A . H2A . . H . . N 0 . . . . . . . . . . 13.481 . 33.981 . 4.921 . . . . . . 16276 HEM H2D . H2D . . H . . N 0 . . . . . . . . . . 20.703 . 34.517 . 3.758 . . . . . . 16276 HEM HAA1 . HAA1 . . H . . N 0 . . . . . . . . . . 16.398 . 32.648 . 8.612 . . . . . . 16276 HEM HAA2 . HAA2 . . H . . N 0 . . . . . . . . . . 16.346 . 32.968 . 6.944 . . . . . . 16276 HEM HAB . HAB . . H . . N 0 . . . . . . . . . . 11.504 . 22.907 . 6.198 . . . . . . 16276 HEM HAC . HAC . . H . . N 0 . . . . . . . . . . 15.803 . 26.065 . -0.595 . . . . . . 16276 HEM HAD1 . HAD1 . . H . . N 0 . . . . . . . . . . 17.243 . 32.871 . 1.623 . . . . . . 16276 HEM HAD2 . HAD2 . . H . . N 0 . . . . . . . . . . 16.994 . 33.111 . 3.277 . . . . . . 16276 HEM HBA1 . HBA1 . . H . . N 0 . . . . . . . . . . 13.898 . 33.258 . 8.903 . . . . . . 16276 HEM HBA2 . HBA2 . . H . . N 0 . . . . . . . . . . 14.776 . 34.554 . 8.258 . . . . . . 16276 HEM HBB1 . HBB1 . . H . . N 0 . . . . . . . . . . 12.891 . 23.071 . 8.807 . . . . . . 16276 HEM HBB2 . HBB2 . . H . . N 0 . . . . . . . . . . 11.898 . 21.557 . 8.054 . . . . . . 16276 HEM HBC1 . HBC1 . . H . . N 0 . . . . . . . . . . 14.594 . 23.427 . -0.215 . . . . . . 16276 HEM HBC2 . HBC2 . . H . . N 0 . . . . . . . . . . 15.578 . 24.050 . -1.774 . . . . . . 16276 HEM HBD1 . HBD1 . . H . . N 0 . . . . . . . . . . 19.020 . 31.519 . 3.848 . . . . . . 16276 HEM HBD2 . HBD2 . . H . . N 0 . . . . . . . . . . 19.253 . 31.198 . 2.195 . . . . . . 16276 HEM HHA . HHA . . H . . N 0 . . . . . . . . . . 16.394 . 32.049 . 5.145 . . . . . . 16276 HEM HHB . HHB . . H . . N 0 . . . . . . . . . . 13.546 . 28.024 . 9.176 . . . . . . 16276 HEM HHC . HHC . . H . . N 0 . . . . . . . . . . 12.798 . 23.815 . 4.415 . . . . . . 16276 HEM HHD . HHD . . H . . N 0 . . . . . . . . . . 15.630 . 27.897 . 0.424 . . . . . . 16276 HEM HMA1 . HMA1 . . H . . N 0 . . . . . . . . . . 14.029 . 29.682 . 10.533 . . . . . . 16276 HEM HMA2 . HMA2 . . H . . N 0 . . . . . . . . . . 15.451 . 30.723 . 10.289 . . . . . . 16276 HEM HMA3 . HMA3 . . H . . N 0 . . . . . . . . . . 13.854 . 31.347 . 9.931 . . . . . . 16276 HEM HMB1 . HMB1 . . H . . N 0 . . . . . . . . . . 11.874 . 24.656 . 9.790 . . . . . . 16276 HEM HMB2 . HMB2 . . H . . N 0 . . . . . . . . . . 13.265 . 25.776 . 9.988 . . . . . . 16276 HEM HMB3 . HMB3 . . H . . N 0 . . . . . . . . . . 11.705 . 26.434 . 9.595 . . . . . . 16276 HEM HMC1 . HMC1 . . H . . N 0 . . . . . . . . . . 13.853 . 22.639 . 0.954 . . . . . . 16276 HEM HMC2 . HMC2 . . H . . N 0 . . . . . . . . . . 14.180 . 22.603 . 2.715 . . . . . . 16276 HEM HMC3 . HMC3 . . H . . N 0 . . . . . . . . . . 12.603 . 23.091 . 2.155 . . . . . . 16276 HEM HMD1 . HMD1 . . H . . N 0 . . . . . . . . . . 17.405 . 31.183 . -0.237 . . . . . . 16276 HEM HMD2 . HMD2 . . H . . N 0 . . . . . . . . . . 17.530 . 29.422 . 0.030 . . . . . . 16276 HEM HMD3 . HMD3 . . H . . N 0 . . . . . . . . . . 16.001 . 30.102 . -0.468 . . . . . . 16276 HEM NA . NA . . N . . N 0 . . . . . . . . . . 14.784 . 29.263 . 6.257 . . . . . . 16276 HEM NB . NB . . N . . N 0 . . . . . . . . . . 13.664 . 26.679 . 6.009 . . . . . . 16276 HEM NC . NC . . N . . N 0 . . . . . . . . . . 14.311 . 26.644 . 3.267 . . . . . . 16276 HEM ND . ND . . N . . N 0 . . . . . . . . . . 15.389 . 29.280 . 3.475 . . . . . . 16276 HEM O1A . O1A . . O . . N 0 . . . . . . . . . . 12.400 . 33.104 . 6.842 . . . . . . 16276 HEM O1D . O1D . . O . . N 0 . . . . . . . . . . 20.186 . 33.643 . 1.646 . . . . . . 16276 HEM O2A . O2A . . O . . N 0 . . . . . . . . . . 14.050 . 33.975 . 5.683 . . . . . . 16276 HEM O2D . O2D . . O . . N 0 . . . . . . . . . . 20.149 . 33.749 . 3.830 . . . . . . 16276 HEM stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING FE NA . . 1 . 16276 HEM 2 . SING FE NB . . 2 . 16276 HEM 3 . SING FE NC . . 3 . 16276 HEM 4 . SING FE ND . . 4 . 16276 HEM 5 . DOUB CHA C1A . . 5 . 16276 HEM 6 . SING CHA C4D . . 6 . 16276 HEM 7 . SING CHA HHA . . 7 . 16276 HEM 8 . DOUB CHB C4A . . 8 . 16276 HEM 9 . SING CHB C1B . . 9 . 16276 HEM 10 . SING CHB HHB . . 10 . 16276 HEM 11 . DOUB CHC C4B . . 11 . 16276 HEM 12 . SING CHC C1C . . 12 . 16276 HEM 13 . SING CHC HHC . . 13 . 16276 HEM 14 . SING CHD C4C . . 14 . 16276 HEM 15 . DOUB CHD C1D . . 15 . 16276 HEM 16 . SING CHD HHD . . 16 . 16276 HEM 17 . SING NA C1A . . 17 . 16276 HEM 18 . SING NA C4A . . 18 . 16276 HEM 19 . SING C1A C2A . . 19 . 16276 HEM 20 . DOUB C2A C3A . . 20 . 16276 HEM 21 . SING C2A CAA . . 21 . 16276 HEM 22 . SING C3A C4A . . 22 . 16276 HEM 23 . SING C3A CMA . . 23 . 16276 HEM 24 . SING CMA HMA1 . . 24 . 16276 HEM 25 . SING CMA HMA2 . . 25 . 16276 HEM 26 . SING CMA HMA3 . . 26 . 16276 HEM 27 . SING CAA CBA . . 27 . 16276 HEM 28 . SING CAA HAA1 . . 28 . 16276 HEM 29 . SING CAA HAA2 . . 29 . 16276 HEM 30 . SING CBA CGA . . 30 . 16276 HEM 31 . SING CBA HBA1 . . 31 . 16276 HEM 32 . SING CBA HBA2 . . 32 . 16276 HEM 33 . DOUB CGA O1A . . 33 . 16276 HEM 34 . SING CGA O2A . . 34 . 16276 HEM 35 . SING O2A H2A . . 35 . 16276 HEM 36 . DOUB NB C1B . . 36 . 16276 HEM 37 . SING NB C4B . . 37 . 16276 HEM 38 . SING C1B C2B . . 38 . 16276 HEM 39 . DOUB C2B C3B . . 39 . 16276 HEM 40 . SING C2B CMB . . 40 . 16276 HEM 41 . SING C3B C4B . . 41 . 16276 HEM 42 . SING C3B CAB . . 42 . 16276 HEM 43 . SING CMB HMB1 . . 43 . 16276 HEM 44 . SING CMB HMB2 . . 44 . 16276 HEM 45 . SING CMB HMB3 . . 45 . 16276 HEM 46 . DOUB CAB CBB . . 46 . 16276 HEM 47 . SING CAB HAB . . 47 . 16276 HEM 48 . SING CBB HBB1 . . 48 . 16276 HEM 49 . SING CBB HBB2 . . 49 . 16276 HEM 50 . SING NC C1C . . 50 . 16276 HEM 51 . SING NC C4C . . 51 . 16276 HEM 52 . DOUB C1C C2C . . 52 . 16276 HEM 53 . SING C2C C3C . . 53 . 16276 HEM 54 . SING C2C CMC . . 54 . 16276 HEM 55 . DOUB C3C C4C . . 55 . 16276 HEM 56 . SING C3C CAC . . 56 . 16276 HEM 57 . SING CMC HMC1 . . 57 . 16276 HEM 58 . SING CMC HMC2 . . 58 . 16276 HEM 59 . SING CMC HMC3 . . 59 . 16276 HEM 60 . DOUB CAC CBC . . 60 . 16276 HEM 61 . SING CAC HAC . . 61 . 16276 HEM 62 . SING CBC HBC1 . . 62 . 16276 HEM 63 . SING CBC HBC2 . . 63 . 16276 HEM 64 . SING ND C1D . . 64 . 16276 HEM 65 . DOUB ND C4D . . 65 . 16276 HEM 66 . SING C1D C2D . . 66 . 16276 HEM 67 . DOUB C2D C3D . . 67 . 16276 HEM 68 . SING C2D CMD . . 68 . 16276 HEM 69 . SING C3D C4D . . 69 . 16276 HEM 70 . SING C3D CAD . . 70 . 16276 HEM 71 . SING CMD HMD1 . . 71 . 16276 HEM 72 . SING CMD HMD2 . . 72 . 16276 HEM 73 . SING CMD HMD3 . . 73 . 16276 HEM 74 . SING CAD CBD . . 74 . 16276 HEM 75 . SING CAD HAD1 . . 75 . 16276 HEM 76 . SING CAD HAD2 . . 76 . 16276 HEM 77 . SING CBD CGD . . 77 . 16276 HEM 78 . SING CBD HBD1 . . 78 . 16276 HEM 79 . SING CBD HBD2 . . 79 . 16276 HEM 80 . DOUB CGD O1D . . 80 . 16276 HEM 81 . SING CGD O2D . . 81 . 16276 HEM 82 . SING O2D H2D . . 82 . 16276 HEM stop_ save_ save_chem_comp_CMO _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_CMO _Chem_comp.Entry_ID 16276 _Chem_comp.ID CMO _Chem_comp.Provenance . _Chem_comp.Name 'CARBON MONOXIDE' _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code CMO _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code CMO _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge 0 _Chem_comp.Paramagnetic . _Chem_comp.Aromatic no _Chem_comp.Formula 'C O' _Chem_comp.Formula_weight 28.010 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag no _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag no _Chem_comp.Model_coordinates_db_code 1BZR _Chem_comp.Processing_site PDBe _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Nov 18 18:40:20 2008 ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID [C-]#[O+] SMILES CACTVS 3.341 16276 CMO [C-]#[O+] SMILES 'OpenEye OEToolkits' 1.5.0 16276 CMO [C-]#[O+] SMILES_CANONICAL CACTVS 3.341 16276 CMO [C-]#[O+] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 16276 CMO InChI=1/CO/c1-2 InChI InChI 1.02b 16276 CMO [O+]#[C-] SMILES ACDLabs 10.04 16276 CMO UGFAIRIUMAVXCW-UHFFFAOYAT InChIKey InChI 1.02b 16276 CMO stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID 'carbon monooxide' 'SYSTEMATIC NAME' ACDLabs 10.04 16276 CMO 'carbon monoxide' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 16276 CMO stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C . C . . C . . N -1 . . . . . . . . . . -0.296 . 8.526 . 17.112 . 0.607 0.000 0.000 . . 16276 CMO O . O . . O . . N 1 . . . . . . . . . . 0.023 . 7.997 . 18.053 . -0.600 0.000 0.000 . . 16276 CMO stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . TRIP C O . . 1 . 16276 CMO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16276 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 90% H2O, 10% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-NOX '[U-99% 13C; U-99% 15N]' . . 1 $SO2144 . . . 0.4 0.8 mM . . . . 16276 1 2 K3PO4 'natural abundance' . . . . . . 50 . . mM . . . . 16276 1 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16276 1 4 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16276 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16276 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16276 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16276 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-NOX '[U-99% 13C; U-99% 15N]' . . 1 $SO2144 . . . 0.4 0.8 mM . . . . 16276 2 2 K3PO4 'natural abundance' . . . . . . 50 . . mM . . . . 16276 2 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16276 2 4 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16276 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 16276 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 16276 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50mM K3PO4, 5 mM DTT, 5% glycerol, pH 7.4, 100% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H-NOX '[U-99% 15N]' . . 1 $SO2144 . . . 0.4 0.8 mM . . . . 16276 3 2 K3PO4 'natural abundance' . . . . . . 50 . . mM . . . . 16276 3 3 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 16276 3 4 glycerol 'natural abundance' . . . . . . 5 . . % . . . . 16276 3 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16276 3 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16276 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16276 _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' 50 . mM 16276 1 pH 7.4 . pH 16276 1 pressure 1 . atm 16276 1 temperature 308 . K 16276 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 16276 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 16276 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16276 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16276 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16276 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16276 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16276 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16276 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 900 . . . 16276 1 2 spectrometer_2 Bruker DRX . 800 . . . 16276 1 3 spectrometer_3 Bruker DRX . 600 . . . 16276 1 4 spectrometer_4 Bruker DRX . 500 . . . 16276 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16276 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 6 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 8 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 9 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 11 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 12 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 14 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 15 '3D 1H-15N NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 16 '2D 13C-filtered [F1,F2] NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 17 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 18 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 19 '2D DQF-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 20 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16276 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16276 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . 1 $citations . . 1 $citations 16276 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . 1 $citations . . 1 $citations 16276 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 1 $citations . . 1 $citations 16276 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16276 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16276 1 2 '3D HNCA' . . . 16276 1 3 '3D HNCO' . . . 16276 1 4 '3D HNCACB' . . . 16276 1 5 '3D CBCA(CO)NH' . . . 16276 1 6 '3D HNHA' . . . 16276 1 7 '3D HBHA(CO)NH' . . . 16276 1 8 '3D HN(CA)CO' . . . 16276 1 9 '3D H(CCO)NH' . . . 16276 1 10 '3D C(CO)NH' . . . 16276 1 11 '3D HCCH-TOCSY' . . . 16276 1 12 '3D HCCH-COSY' . . . 16276 1 13 '3D 1H-13C NOESY' . . . 16276 1 14 '3D 1H-13C NOESY' . . . 16276 1 15 '3D 1H-15N NOESY' . . . 16276 1 16 '2D 13C-filtered [F1,F2] NOESY' . . . 16276 1 17 '2D 1H-1H NOESY' . . . 16276 1 18 '2D 1H-1H TOCSY' . . . 16276 1 19 '2D DQF-COSY' . . . 16276 1 20 '2D 1H-13C HSQC' . . . 16276 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 3 3 GLY H H 1 9.708 0.03 . 1 . . . . 3 GLY HN . 16276 1 2 . 1 1 3 3 GLY HA2 H 1 4.079 0.03 . 2 . . . . 3 GLY HA1 . 16276 1 3 . 1 1 3 3 GLY HA3 H 1 4.801 0.03 . 2 . . . . 3 GLY HA2 . 16276 1 4 . 1 1 3 3 GLY CA C 13 48.575 0.3 . 1 . . . . 3 GLY CA . 16276 1 5 . 1 1 3 3 GLY N N 15 109.128 0.3 . 1 . . . . 3 GLY N . 16276 1 6 . 1 1 4 4 ILE H H 1 8.616 0.03 . 1 . . . . 4 ILE HN . 16276 1 7 . 1 1 4 4 ILE HA H 1 4.477 0.03 . 1 . . . . 4 ILE HA . 16276 1 8 . 1 1 4 4 ILE HB H 1 2.181 0.03 . 1 . . . . 4 ILE HB . 16276 1 9 . 1 1 4 4 ILE HD11 H 1 1.051 0.03 . 1 . . . . 4 ILE QD1 . 16276 1 10 . 1 1 4 4 ILE HD12 H 1 1.051 0.03 . 1 . . . . 4 ILE QD1 . 16276 1 11 . 1 1 4 4 ILE HD13 H 1 1.051 0.03 . 1 . . . . 4 ILE QD1 . 16276 1 12 . 1 1 4 4 ILE HG12 H 1 1.307 0.03 . 2 . . . . 4 ILE QG1 . 16276 1 13 . 1 1 4 4 ILE HG13 H 1 1.307 0.03 . 2 . . . . 4 ILE QG1 . 16276 1 14 . 1 1 4 4 ILE HG21 H 1 0.883 0.03 . 1 . . . . 4 ILE QG2 . 16276 1 15 . 1 1 4 4 ILE HG22 H 1 0.883 0.03 . 1 . . . . 4 ILE QG2 . 16276 1 16 . 1 1 4 4 ILE HG23 H 1 0.883 0.03 . 1 . . . . 4 ILE QG2 . 16276 1 17 . 1 1 4 4 ILE C C 13 175.078 0.3 . 1 . . . . 4 ILE C . 16276 1 18 . 1 1 4 4 ILE CA C 13 61.660 0.3 . 1 . . . . 4 ILE CA . 16276 1 19 . 1 1 4 4 ILE CB C 13 37.907 0.3 . 1 . . . . 4 ILE CB . 16276 1 20 . 1 1 4 4 ILE CD1 C 13 14.690 0.3 . 1 . . . . 4 ILE CD1 . 16276 1 21 . 1 1 4 4 ILE CG1 C 13 29.210 0.3 . 1 . . . . 4 ILE CG1 . 16276 1 22 . 1 1 4 4 ILE CG2 C 13 16.880 0.3 . 1 . . . . 4 ILE CG2 . 16276 1 23 . 1 1 4 4 ILE N N 15 119.985 0.3 . 1 . . . . 4 ILE N . 16276 1 24 . 1 1 5 5 ILE H H 1 7.586 0.03 . 1 . . . . 5 ILE HN . 16276 1 25 . 1 1 5 5 ILE HA H 1 3.314 0.03 . 1 . . . . 5 ILE HA . 16276 1 26 . 1 1 5 5 ILE HB H 1 2.116 0.03 . 1 . . . . 5 ILE HB . 16276 1 27 . 1 1 5 5 ILE HD11 H 1 -0.141 0.03 . 1 . . . . 5 ILE QD1 . 16276 1 28 . 1 1 5 5 ILE HD12 H 1 -0.141 0.03 . 1 . . . . 5 ILE QD1 . 16276 1 29 . 1 1 5 5 ILE HD13 H 1 -0.141 0.03 . 1 . . . . 5 ILE QD1 . 16276 1 30 . 1 1 5 5 ILE HG12 H 1 1.698 0.03 . 2 . . . . 5 ILE QG1 . 16276 1 31 . 1 1 5 5 ILE HG13 H 1 1.698 0.03 . 2 . . . . 5 ILE QG1 . 16276 1 32 . 1 1 5 5 ILE HG21 H 1 0.642 0.03 . 1 . . . . 5 ILE QG2 . 16276 1 33 . 1 1 5 5 ILE HG22 H 1 0.642 0.03 . 1 . . . . 5 ILE QG2 . 16276 1 34 . 1 1 5 5 ILE HG23 H 1 0.642 0.03 . 1 . . . . 5 ILE QG2 . 16276 1 35 . 1 1 5 5 ILE C C 13 178.602 0.3 . 1 . . . . 5 ILE C . 16276 1 36 . 1 1 5 5 ILE CA C 13 62.460 0.3 . 1 . . . . 5 ILE CA . 16276 1 37 . 1 1 5 5 ILE CB C 13 35.150 0.3 . 1 . . . . 5 ILE CB . 16276 1 38 . 1 1 5 5 ILE CD1 C 13 7.490 0.3 . 1 . . . . 5 ILE CD1 . 16276 1 39 . 1 1 5 5 ILE CG1 C 13 27.510 0.3 . 1 . . . . 5 ILE CG1 . 16276 1 40 . 1 1 5 5 ILE CG2 C 13 17.300 0.3 . 1 . . . . 5 ILE CG2 . 16276 1 41 . 1 1 5 5 ILE N N 15 120.675 0.3 . 1 . . . . 5 ILE N . 16276 1 42 . 1 1 6 6 PHE H H 1 6.976 0.03 . 1 . . . . 6 PHE HN . 16276 1 43 . 1 1 6 6 PHE HA H 1 3.712 0.03 . 1 . . . . 6 PHE HA . 16276 1 44 . 1 1 6 6 PHE HB2 H 1 2.031 0.03 . 2 . . . . 6 PHE HB2 . 16276 1 45 . 1 1 6 6 PHE HB3 H 1 2.723 0.03 . 2 . . . . 6 PHE HB3 . 16276 1 46 . 1 1 6 6 PHE HD1 H 1 6.740 0.03 . 3 . . . . 6 PHE QD . 16276 1 47 . 1 1 6 6 PHE HD2 H 1 6.740 0.03 . 3 . . . . 6 PHE QD . 16276 1 48 . 1 1 6 6 PHE HE1 H 1 6.978 0.03 . 3 . . . . 6 PHE QE . 16276 1 49 . 1 1 6 6 PHE HE2 H 1 6.978 0.03 . 3 . . . . 6 PHE QE . 16276 1 50 . 1 1 6 6 PHE HZ H 1 6.610 0.03 . 1 . . . . 6 PHE HZ . 16276 1 51 . 1 1 6 6 PHE C C 13 178.876 0.3 . 1 . . . . 6 PHE C . 16276 1 52 . 1 1 6 6 PHE CA C 13 61.300 0.3 . 1 . . . . 6 PHE CA . 16276 1 53 . 1 1 6 6 PHE CB C 13 38.905 0.3 . 1 . . . . 6 PHE CB . 16276 1 54 . 1 1 6 6 PHE CD1 C 13 132.040 0.3 . 4 . . . . 6 PHE CD1 . 16276 1 55 . 1 1 6 6 PHE CE1 C 13 130.489 0.3 . 4 . . . . 6 PHE CE1 . 16276 1 56 . 1 1 6 6 PHE N N 15 116.994 0.3 . 1 . . . . 6 PHE N . 16276 1 57 . 1 1 7 7 ASN H H 1 8.716 0.03 . 1 . . . . 7 ASN HN . 16276 1 58 . 1 1 7 7 ASN HA H 1 4.660 0.03 . 1 . . . . 7 ASN HA . 16276 1 59 . 1 1 7 7 ASN HB2 H 1 2.931 0.03 . 2 . . . . 7 ASN QB . 16276 1 60 . 1 1 7 7 ASN HB3 H 1 2.931 0.03 . 2 . . . . 7 ASN QB . 16276 1 61 . 1 1 7 7 ASN C C 13 176.756 0.3 . 1 . . . . 7 ASN C . 16276 1 62 . 1 1 7 7 ASN CA C 13 55.770 0.3 . 1 . . . . 7 ASN CA . 16276 1 63 . 1 1 7 7 ASN CB C 13 38.651 0.3 . 1 . . . . 7 ASN CB . 16276 1 64 . 1 1 7 7 ASN N N 15 120.407 0.3 . 1 . . . . 7 ASN N . 16276 1 65 . 1 1 8 8 VAL H H 1 7.804 0.03 . 1 . . . . 8 VAL HN . 16276 1 66 . 1 1 8 8 VAL HA H 1 3.737 0.03 . 1 . . . . 8 VAL HA . 16276 1 67 . 1 1 8 8 VAL HB H 1 1.843 0.03 . 1 . . . . 8 VAL HB . 16276 1 68 . 1 1 8 8 VAL HG11 H 1 0.991 0.03 . 2 . . . . 8 VAL QG1 . 16276 1 69 . 1 1 8 8 VAL HG12 H 1 0.991 0.03 . 2 . . . . 8 VAL QG1 . 16276 1 70 . 1 1 8 8 VAL HG13 H 1 0.991 0.03 . 2 . . . . 8 VAL QG1 . 16276 1 71 . 1 1 8 8 VAL HG21 H 1 0.725 0.03 . 2 . . . . 8 VAL QG2 . 16276 1 72 . 1 1 8 8 VAL HG22 H 1 0.725 0.03 . 2 . . . . 8 VAL QG2 . 16276 1 73 . 1 1 8 8 VAL HG23 H 1 0.725 0.03 . 2 . . . . 8 VAL QG2 . 16276 1 74 . 1 1 8 8 VAL C C 13 177.506 0.3 . 1 . . . . 8 VAL C . 16276 1 75 . 1 1 8 8 VAL CA C 13 65.960 0.3 . 1 . . . . 8 VAL CA . 16276 1 76 . 1 1 8 8 VAL CB C 13 30.920 0.3 . 1 . . . . 8 VAL CB . 16276 1 77 . 1 1 8 8 VAL CG1 C 13 23.530 0.3 . 2 . . . . 8 VAL CG1 . 16276 1 78 . 1 1 8 8 VAL CG2 C 13 21.470 0.3 . 2 . . . . 8 VAL CG2 . 16276 1 79 . 1 1 8 8 VAL N N 15 120.412 0.3 . 1 . . . . 8 VAL N . 16276 1 80 . 1 1 9 9 LEU H H 1 7.985 0.03 . 1 . . . . 9 LEU HN . 16276 1 81 . 1 1 9 9 LEU HA H 1 3.676 0.03 . 1 . . . . 9 LEU HA . 16276 1 82 . 1 1 9 9 LEU HB2 H 1 1.897 0.03 . 2 . . . . 9 LEU HB2 . 16276 1 83 . 1 1 9 9 LEU HB3 H 1 0.946 0.03 . 2 . . . . 9 LEU HB3 . 16276 1 84 . 1 1 9 9 LEU HD11 H 1 -0.012 0.03 . 2 . . . . 9 LEU QD1 . 16276 1 85 . 1 1 9 9 LEU HD12 H 1 -0.012 0.03 . 2 . . . . 9 LEU QD1 . 16276 1 86 . 1 1 9 9 LEU HD13 H 1 -0.012 0.03 . 2 . . . . 9 LEU QD1 . 16276 1 87 . 1 1 9 9 LEU HD21 H 1 0.605 0.03 . 2 . . . . 9 LEU QD2 . 16276 1 88 . 1 1 9 9 LEU HD22 H 1 0.605 0.03 . 2 . . . . 9 LEU QD2 . 16276 1 89 . 1 1 9 9 LEU HD23 H 1 0.605 0.03 . 2 . . . . 9 LEU QD2 . 16276 1 90 . 1 1 9 9 LEU HG H 1 1.470 0.03 . 1 . . . . 9 LEU HG . 16276 1 91 . 1 1 9 9 LEU C C 13 177.187 0.3 . 1 . . . . 9 LEU C . 16276 1 92 . 1 1 9 9 LEU CA C 13 58.220 0.3 . 1 . . . . 9 LEU CA . 16276 1 93 . 1 1 9 9 LEU CB C 13 40.504 0.3 . 1 . . . . 9 LEU CB . 16276 1 94 . 1 1 9 9 LEU CD1 C 13 21.360 0.3 . 2 . . . . 9 LEU CD1 . 16276 1 95 . 1 1 9 9 LEU CD2 C 13 26.790 0.3 . 2 . . . . 9 LEU CD2 . 16276 1 96 . 1 1 9 9 LEU CG C 13 26.610 0.3 . 1 . . . . 9 LEU CG . 16276 1 97 . 1 1 9 9 LEU N N 15 121.863 0.3 . 1 . . . . 9 LEU N . 16276 1 98 . 1 1 10 10 GLU H H 1 7.871 0.03 . 1 . . . . 10 GLU HN . 16276 1 99 . 1 1 10 10 GLU HA H 1 2.045 0.03 . 1 . . . . 10 GLU HA . 16276 1 100 . 1 1 10 10 GLU HB2 H 1 1.654 0.03 . 2 . . . . 10 GLU QB . 16276 1 101 . 1 1 10 10 GLU HB3 H 1 1.654 0.03 . 2 . . . . 10 GLU QB . 16276 1 102 . 1 1 10 10 GLU HG2 H 1 1.318 0.03 . 2 . . . . 10 GLU QG . 16276 1 103 . 1 1 10 10 GLU HG3 H 1 1.318 0.03 . 2 . . . . 10 GLU QG . 16276 1 104 . 1 1 10 10 GLU C C 13 177.071 0.3 . 1 . . . . 10 GLU C . 16276 1 105 . 1 1 10 10 GLU CA C 13 59.190 0.3 . 1 . . . . 10 GLU CA . 16276 1 106 . 1 1 10 10 GLU CB C 13 28.770 0.3 . 1 . . . . 10 GLU CB . 16276 1 107 . 1 1 10 10 GLU CG C 13 33.697 0.3 . 1 . . . . 10 GLU CG . 16276 1 108 . 1 1 10 10 GLU N N 15 120.400 0.3 . 1 . . . . 10 GLU N . 16276 1 109 . 1 1 11 11 ASP H H 1 7.136 0.03 . 1 . . . . 11 ASP HN . 16276 1 110 . 1 1 11 11 ASP HA H 1 4.133 0.03 . 1 . . . . 11 ASP HA . 16276 1 111 . 1 1 11 11 ASP HB2 H 1 3.144 0.03 . 2 . . . . 11 ASP HB2 . 16276 1 112 . 1 1 11 11 ASP HB3 H 1 2.741 0.03 . 2 . . . . 11 ASP HB3 . 16276 1 113 . 1 1 11 11 ASP C C 13 179.177 0.3 . 1 . . . . 11 ASP C . 16276 1 114 . 1 1 11 11 ASP CA C 13 57.420 0.3 . 1 . . . . 11 ASP CA . 16276 1 115 . 1 1 11 11 ASP CB C 13 39.705 0.3 . 1 . . . . 11 ASP CB . 16276 1 116 . 1 1 11 11 ASP N N 15 117.497 0.3 . 1 . . . . 11 ASP N . 16276 1 117 . 1 1 12 12 MET H H 1 7.887 0.03 . 1 . . . . 12 MET HN . 16276 1 118 . 1 1 12 12 MET HA H 1 3.044 0.03 . 1 . . . . 12 MET HA . 16276 1 119 . 1 1 12 12 MET HB2 H 1 1.794 0.03 . 2 . . . . 12 MET QB . 16276 1 120 . 1 1 12 12 MET HB3 H 1 1.794 0.03 . 2 . . . . 12 MET QB . 16276 1 121 . 1 1 12 12 MET HG2 H 1 1.605 0.03 . 2 . . . . 12 MET HG2 . 16276 1 122 . 1 1 12 12 MET HG3 H 1 0.893 0.03 . 2 . . . . 12 MET HG3 . 16276 1 123 . 1 1 12 12 MET C C 13 177.869 0.3 . 1 . . . . 12 MET C . 16276 1 124 . 1 1 12 12 MET CA C 13 59.410 0.3 . 1 . . . . 12 MET CA . 16276 1 125 . 1 1 12 12 MET CB C 13 32.578 0.3 . 1 . . . . 12 MET CB . 16276 1 126 . 1 1 12 12 MET CG C 13 32.660 0.3 . 1 . . . . 12 MET CG . 16276 1 127 . 1 1 12 12 MET N N 15 121.109 0.3 . 1 . . . . 12 MET N . 16276 1 128 . 1 1 13 13 VAL H H 1 8.801 0.03 . 1 . . . . 13 VAL HN . 16276 1 129 . 1 1 13 13 VAL HA H 1 3.360 0.03 . 1 . . . . 13 VAL HA . 16276 1 130 . 1 1 13 13 VAL HB H 1 2.158 0.03 . 1 . . . . 13 VAL HB . 16276 1 131 . 1 1 13 13 VAL HG11 H 1 0.943 0.03 . 2 . . . . 13 VAL QG1 . 16276 1 132 . 1 1 13 13 VAL HG12 H 1 0.943 0.03 . 2 . . . . 13 VAL QG1 . 16276 1 133 . 1 1 13 13 VAL HG13 H 1 0.943 0.03 . 2 . . . . 13 VAL QG1 . 16276 1 134 . 1 1 13 13 VAL HG21 H 1 0.767 0.03 . 2 . . . . 13 VAL QG2 . 16276 1 135 . 1 1 13 13 VAL HG22 H 1 0.767 0.03 . 2 . . . . 13 VAL QG2 . 16276 1 136 . 1 1 13 13 VAL HG23 H 1 0.767 0.03 . 2 . . . . 13 VAL QG2 . 16276 1 137 . 1 1 13 13 VAL C C 13 179.049 0.3 . 1 . . . . 13 VAL C . 16276 1 138 . 1 1 13 13 VAL CA C 13 67.750 0.3 . 1 . . . . 13 VAL CA . 16276 1 139 . 1 1 13 13 VAL CB C 13 31.420 0.3 . 1 . . . . 13 VAL CB . 16276 1 140 . 1 1 13 13 VAL CG1 C 13 23.530 0.3 . 2 . . . . 13 VAL CG1 . 16276 1 141 . 1 1 13 13 VAL CG2 C 13 21.560 0.3 . 2 . . . . 13 VAL CG2 . 16276 1 142 . 1 1 13 13 VAL N N 15 119.819 0.3 . 1 . . . . 13 VAL N . 16276 1 143 . 1 1 14 14 VAL H H 1 9.370 0.03 . 1 . . . . 14 VAL HN . 16276 1 144 . 1 1 14 14 VAL HA H 1 3.160 0.03 . 1 . . . . 14 VAL HA . 16276 1 145 . 1 1 14 14 VAL HB H 1 2.039 0.03 . 1 . . . . 14 VAL HB . 16276 1 146 . 1 1 14 14 VAL HG11 H 1 0.965 0.03 . 2 . . . . 14 VAL QG1 . 16276 1 147 . 1 1 14 14 VAL HG12 H 1 0.965 0.03 . 2 . . . . 14 VAL QG1 . 16276 1 148 . 1 1 14 14 VAL HG13 H 1 0.965 0.03 . 2 . . . . 14 VAL QG1 . 16276 1 149 . 1 1 14 14 VAL HG21 H 1 0.907 0.03 . 2 . . . . 14 VAL QG2 . 16276 1 150 . 1 1 14 14 VAL HG22 H 1 0.907 0.03 . 2 . . . . 14 VAL QG2 . 16276 1 151 . 1 1 14 14 VAL HG23 H 1 0.907 0.03 . 2 . . . . 14 VAL QG2 . 16276 1 152 . 1 1 14 14 VAL C C 13 178.623 0.3 . 1 . . . . 14 VAL C . 16276 1 153 . 1 1 14 14 VAL CA C 13 67.830 0.3 . 1 . . . . 14 VAL CA . 16276 1 154 . 1 1 14 14 VAL CB C 13 31.351 0.3 . 1 . . . . 14 VAL CB . 16276 1 155 . 1 1 14 14 VAL CG1 C 13 25.030 0.3 . 2 . . . . 14 VAL CG1 . 16276 1 156 . 1 1 14 14 VAL CG2 C 13 21.470 0.3 . 2 . . . . 14 VAL CG2 . 16276 1 157 . 1 1 14 14 VAL N N 15 122.077 0.3 . 1 . . . . 14 VAL N . 16276 1 158 . 1 1 15 15 ALA H H 1 7.598 0.03 . 1 . . . . 15 ALA HN . 16276 1 159 . 1 1 15 15 ALA HA H 1 4.133 0.03 . 1 . . . . 15 ALA HA . 16276 1 160 . 1 1 15 15 ALA HB1 H 1 1.540 0.03 . 1 . . . . 15 ALA QB . 16276 1 161 . 1 1 15 15 ALA HB2 H 1 1.540 0.03 . 1 . . . . 15 ALA QB . 16276 1 162 . 1 1 15 15 ALA HB3 H 1 1.540 0.03 . 1 . . . . 15 ALA QB . 16276 1 163 . 1 1 15 15 ALA C C 13 179.807 0.3 . 1 . . . . 15 ALA C . 16276 1 164 . 1 1 15 15 ALA CA C 13 55.250 0.3 . 1 . . . . 15 ALA CA . 16276 1 165 . 1 1 15 15 ALA CB C 13 18.530 0.3 . 1 . . . . 15 ALA CB . 16276 1 166 . 1 1 15 15 ALA N N 15 120.318 0.3 . 1 . . . . 15 ALA N . 16276 1 167 . 1 1 16 16 GLN H H 1 8.104 0.03 . 1 . . . . 16 GLN HN . 16276 1 168 . 1 1 16 16 GLN HA H 1 4.331 0.03 . 1 . . . . 16 GLN HA . 16276 1 169 . 1 1 16 16 GLN HB2 H 1 2.164 0.03 . 2 . . . . 16 GLN HB2 . 16276 1 170 . 1 1 16 16 GLN HB3 H 1 2.063 0.03 . 2 . . . . 16 GLN HB3 . 16276 1 171 . 1 1 16 16 GLN HG2 H 1 2.356 0.03 . 2 . . . . 16 GLN HG2 . 16276 1 172 . 1 1 16 16 GLN HG3 H 1 2.430 0.03 . 2 . . . . 16 GLN HG3 . 16276 1 173 . 1 1 16 16 GLN C C 13 178.174 0.3 . 1 . . . . 16 GLN C . 16276 1 174 . 1 1 16 16 GLN CA C 13 57.970 0.3 . 1 . . . . 16 GLN CA . 16276 1 175 . 1 1 16 16 GLN CB C 13 30.530 0.3 . 1 . . . . 16 GLN CB . 16276 1 176 . 1 1 16 16 GLN CG C 13 34.269 0.3 . 1 . . . . 16 GLN CG . 16276 1 177 . 1 1 16 16 GLN N N 15 113.818 0.3 . 1 . . . . 16 GLN N . 16276 1 178 . 1 1 17 17 CYS H H 1 9.062 0.03 . 1 . . . . 17 CYS HN . 16276 1 179 . 1 1 17 17 CYS HA H 1 4.635 0.03 . 1 . . . . 17 CYS HA . 16276 1 180 . 1 1 17 17 CYS HB2 H 1 2.823 0.03 . 2 . . . . 17 CYS HB2 . 16276 1 181 . 1 1 17 17 CYS HB3 H 1 3.214 0.03 . 2 . . . . 17 CYS HB3 . 16276 1 182 . 1 1 17 17 CYS C C 13 175.511 0.3 . 1 . . . . 17 CYS C . 16276 1 183 . 1 1 17 17 CYS CA C 13 59.150 0.3 . 1 . . . . 17 CYS CA . 16276 1 184 . 1 1 17 17 CYS CB C 13 30.900 0.3 . 1 . . . . 17 CYS CB . 16276 1 185 . 1 1 17 17 CYS N N 15 114.984 0.3 . 1 . . . . 17 CYS N . 16276 1 186 . 1 1 18 18 GLY H H 1 8.039 0.03 . 1 . . . . 18 GLY HN . 16276 1 187 . 1 1 18 18 GLY HA2 H 1 4.120 0.03 . 2 . . . . 18 GLY HA1 . 16276 1 188 . 1 1 18 18 GLY HA3 H 1 4.712 0.03 . 2 . . . . 18 GLY HA2 . 16276 1 189 . 1 1 18 18 GLY C C 13 174.435 0.3 . 1 . . . . 18 GLY C . 16276 1 190 . 1 1 18 18 GLY CA C 13 44.519 0.3 . 1 . . . . 18 GLY CA . 16276 1 191 . 1 1 18 18 GLY N N 15 109.505 0.3 . 1 . . . . 18 GLY N . 16276 1 192 . 1 1 19 19 MET H H 1 9.023 0.03 . 1 . . . . 19 MET HN . 16276 1 193 . 1 1 19 19 MET HA H 1 4.460 0.03 . 1 . . . . 19 MET HA . 16276 1 194 . 1 1 19 19 MET HB2 H 1 2.218 0.03 . 2 . . . . 19 MET QB . 16276 1 195 . 1 1 19 19 MET HB3 H 1 2.218 0.03 . 2 . . . . 19 MET QB . 16276 1 196 . 1 1 19 19 MET HG2 H 1 2.771 0.03 . 2 . . . . 19 MET HG2 . 16276 1 197 . 1 1 19 19 MET HG3 H 1 2.694 0.03 . 2 . . . . 19 MET HG3 . 16276 1 198 . 1 1 19 19 MET C C 13 178.078 0.3 . 1 . . . . 19 MET C . 16276 1 199 . 1 1 19 19 MET CA C 13 58.120 0.3 . 1 . . . . 19 MET CA . 16276 1 200 . 1 1 19 19 MET CB C 13 32.200 0.3 . 1 . . . . 19 MET CB . 16276 1 201 . 1 1 19 19 MET CG C 13 31.934 0.3 . 1 . . . . 19 MET CG . 16276 1 202 . 1 1 19 19 MET N N 15 121.612 0.3 . 1 . . . . 19 MET N . 16276 1 203 . 1 1 20 20 SER HA H 1 4.011 0.03 . 1 . . . . 20 SER HA . 16276 1 204 . 1 1 20 20 SER HB2 H 1 4.288 0.03 . 2 . . . . 20 SER QB . 16276 1 205 . 1 1 20 20 SER HB3 H 1 4.288 0.03 . 2 . . . . 20 SER QB . 16276 1 206 . 1 1 20 20 SER C C 13 177.482 0.3 . 1 . . . . 20 SER C . 16276 1 207 . 1 1 20 20 SER CA C 13 62.120 0.3 . 1 . . . . 20 SER CA . 16276 1 208 . 1 1 20 20 SER CB C 13 61.890 0.3 . 1 . . . . 20 SER CB . 16276 1 209 . 1 1 21 21 VAL H H 1 7.189 0.03 . 1 . . . . 21 VAL HN . 16276 1 210 . 1 1 21 21 VAL HA H 1 3.750 0.03 . 1 . . . . 21 VAL HA . 16276 1 211 . 1 1 21 21 VAL HB H 1 1.942 0.03 . 1 . . . . 21 VAL HB . 16276 1 212 . 1 1 21 21 VAL HG11 H 1 1.026 0.03 . 2 . . . . 21 VAL QG1 . 16276 1 213 . 1 1 21 21 VAL HG12 H 1 1.026 0.03 . 2 . . . . 21 VAL QG1 . 16276 1 214 . 1 1 21 21 VAL HG13 H 1 1.026 0.03 . 2 . . . . 21 VAL QG1 . 16276 1 215 . 1 1 21 21 VAL HG21 H 1 0.842 0.03 . 2 . . . . 21 VAL QG2 . 16276 1 216 . 1 1 21 21 VAL HG22 H 1 0.842 0.03 . 2 . . . . 21 VAL QG2 . 16276 1 217 . 1 1 21 21 VAL HG23 H 1 0.842 0.03 . 2 . . . . 21 VAL QG2 . 16276 1 218 . 1 1 21 21 VAL C C 13 177.482 0.3 . 1 . . . . 21 VAL C . 16276 1 219 . 1 1 21 21 VAL CA C 13 65.960 0.3 . 1 . . . . 21 VAL CA . 16276 1 220 . 1 1 21 21 VAL CB C 13 31.367 0.3 . 1 . . . . 21 VAL CB . 16276 1 221 . 1 1 21 21 VAL CG1 C 13 23.640 0.3 . 2 . . . . 21 VAL CG1 . 16276 1 222 . 1 1 21 21 VAL CG2 C 13 20.700 0.3 . 2 . . . . 21 VAL CG2 . 16276 1 223 . 1 1 21 21 VAL N N 15 122.493 0.3 . 1 . . . . 21 VAL N . 16276 1 224 . 1 1 22 22 TRP H H 1 7.432 0.03 . 1 . . . . 22 TRP HN . 16276 1 225 . 1 1 22 22 TRP HA H 1 4.456 0.03 . 1 . . . . 22 TRP HA . 16276 1 226 . 1 1 22 22 TRP HB2 H 1 3.100 0.03 . 2 . . . . 22 TRP HB2 . 16276 1 227 . 1 1 22 22 TRP HB3 H 1 3.522 0.03 . 2 . . . . 22 TRP HB3 . 16276 1 228 . 1 1 22 22 TRP HD1 H 1 7.184 0.03 . 1 . . . . 22 TRP HD1 . 16276 1 229 . 1 1 22 22 TRP HE1 H 1 10.176 0.03 . 1 . . . . 22 TRP HE1 . 16276 1 230 . 1 1 22 22 TRP HE3 H 1 7.246 0.03 . 1 . . . . 22 TRP HE3 . 16276 1 231 . 1 1 22 22 TRP HH2 H 1 7.025 0.03 . 1 . . . . 22 TRP HH2 . 16276 1 232 . 1 1 22 22 TRP HZ2 H 1 7.543 0.03 . 1 . . . . 22 TRP HZ2 . 16276 1 233 . 1 1 22 22 TRP HZ3 H 1 6.722 0.03 . 1 . . . . 22 TRP HZ3 . 16276 1 234 . 1 1 22 22 TRP C C 13 176.54 0.3 . 1 . . . . 22 TRP C . 16276 1 235 . 1 1 22 22 TRP CA C 13 60.820 0.3 . 1 . . . . 22 TRP CA . 16276 1 236 . 1 1 22 22 TRP CB C 13 29.720 0.3 . 1 . . . . 22 TRP CB . 16276 1 237 . 1 1 22 22 TRP CD1 C 13 127.942 0.3 . 1 . . . . 22 TRP CD1 . 16276 1 238 . 1 1 22 22 TRP CE3 C 13 119.980 0.3 . 1 . . . . 22 TRP CE3 . 16276 1 239 . 1 1 22 22 TRP CH2 C 13 123.074 0.3 . 1 . . . . 22 TRP CH2 . 16276 1 240 . 1 1 22 22 TRP CZ2 C 13 115.314 0.3 . 1 . . . . 22 TRP CZ2 . 16276 1 241 . 1 1 22 22 TRP CZ3 C 13 119.972 0.3 . 1 . . . . 22 TRP CZ3 . 16276 1 242 . 1 1 22 22 TRP N N 15 119.978 0.3 . 1 . . . . 22 TRP N . 16276 1 243 . 1 1 22 22 TRP NE1 N 15 130.828 0.3 . 1 . . . . 22 TRP NE1 . 16276 1 244 . 1 1 23 23 ASN H H 1 8.324 0.03 . 1 . . . . 23 ASN HN . 16276 1 245 . 1 1 23 23 ASN HA H 1 4.215 0.03 . 1 . . . . 23 ASN HA . 16276 1 246 . 1 1 23 23 ASN HB2 H 1 2.821 0.03 . 2 . . . . 23 ASN QB . 16276 1 247 . 1 1 23 23 ASN HB3 H 1 2.821 0.03 . 2 . . . . 23 ASN QB . 16276 1 248 . 1 1 23 23 ASN HD21 H 1 6.854 0.03 . 2 . . . . 23 ASN HD21 . 16276 1 249 . 1 1 23 23 ASN HD22 H 1 7.509 0.03 . 2 . . . . 23 ASN HD22 . 16276 1 250 . 1 1 23 23 ASN C C 13 178.46 0.3 . 1 . . . . 23 ASN C . 16276 1 251 . 1 1 23 23 ASN CA C 13 56.400 0.3 . 1 . . . . 23 ASN CA . 16276 1 252 . 1 1 23 23 ASN CB C 13 38.055 0.3 . 1 . . . . 23 ASN CB . 16276 1 253 . 1 1 23 23 ASN N N 15 114.184 0.3 . 1 . . . . 23 ASN N . 16276 1 254 . 1 1 23 23 ASN ND2 N 15 110.145 0.3 . 1 . . . . 23 ASN ND2 . 16276 1 255 . 1 1 24 24 GLU H H 1 7.824 0.03 . 1 . . . . 24 GLU HN . 16276 1 256 . 1 1 24 24 GLU HA H 1 4.010 0.03 . 1 . . . . 24 GLU HA . 16276 1 257 . 1 1 24 24 GLU HB2 H 1 2.121 0.03 . 2 . . . . 24 GLU HB2 . 16276 1 258 . 1 1 24 24 GLU HB3 H 1 2.240 0.03 . 2 . . . . 24 GLU HB3 . 16276 1 259 . 1 1 24 24 GLU HG2 H 1 2.528 0.03 . 2 . . . . 24 GLU HG2 . 16276 1 260 . 1 1 24 24 GLU HG3 H 1 2.117 0.03 . 2 . . . . 24 GLU HG3 . 16276 1 261 . 1 1 24 24 GLU C C 13 179.475 0.3 . 1 . . . . 24 GLU C . 16276 1 262 . 1 1 24 24 GLU CA C 13 59.590 0.3 . 1 . . . . 24 GLU CA . 16276 1 263 . 1 1 24 24 GLU CB C 13 30.160 0.3 . 1 . . . . 24 GLU CB . 16276 1 264 . 1 1 24 24 GLU CG C 13 36.657 0.3 . 1 . . . . 24 GLU CG . 16276 1 265 . 1 1 24 24 GLU N N 15 120.937 0.3 . 1 . . . . 24 GLU N . 16276 1 266 . 1 1 25 25 LEU H H 1 8.357 0.03 . 1 . . . . 25 LEU HN . 16276 1 267 . 1 1 25 25 LEU HA H 1 3.981 0.03 . 1 . . . . 25 LEU HA . 16276 1 268 . 1 1 25 25 LEU HB2 H 1 1.159 0.03 . 2 . . . . 25 LEU HB2 . 16276 1 269 . 1 1 25 25 LEU HB3 H 1 2.008 0.03 . 2 . . . . 25 LEU HB3 . 16276 1 270 . 1 1 25 25 LEU HD11 H 1 0.903 0.03 . 2 . . . . 25 LEU QD1 . 16276 1 271 . 1 1 25 25 LEU HD12 H 1 0.903 0.03 . 2 . . . . 25 LEU QD1 . 16276 1 272 . 1 1 25 25 LEU HD13 H 1 0.903 0.03 . 2 . . . . 25 LEU QD1 . 16276 1 273 . 1 1 25 25 LEU HD21 H 1 1.024 0.03 . 2 . . . . 25 LEU QD2 . 16276 1 274 . 1 1 25 25 LEU HD22 H 1 1.024 0.03 . 2 . . . . 25 LEU QD2 . 16276 1 275 . 1 1 25 25 LEU HD23 H 1 1.024 0.03 . 2 . . . . 25 LEU QD2 . 16276 1 276 . 1 1 25 25 LEU HG H 1 1.996 0.03 . 1 . . . . 25 LEU HG . 16276 1 277 . 1 1 25 25 LEU C C 13 178.955 0.3 . 1 . . . . 25 LEU C . 16276 1 278 . 1 1 25 25 LEU CA C 13 57.850 0.3 . 1 . . . . 25 LEU CA . 16276 1 279 . 1 1 25 25 LEU CB C 13 41.442 0.3 . 1 . . . . 25 LEU CB . 16276 1 280 . 1 1 25 25 LEU CD1 C 13 28.010 0.3 . 2 . . . . 25 LEU CD1 . 16276 1 281 . 1 1 25 25 LEU CD2 C 13 23.770 0.3 . 2 . . . . 25 LEU CD2 . 16276 1 282 . 1 1 25 25 LEU CG C 13 26.880 0.3 . 1 . . . . 25 LEU CG . 16276 1 283 . 1 1 25 25 LEU N N 15 120.952 0.3 . 1 . . . . 25 LEU N . 16276 1 284 . 1 1 26 26 LEU H H 1 8.000 0.03 . 1 . . . . 26 LEU HN . 16276 1 285 . 1 1 26 26 LEU HA H 1 3.651 0.03 . 1 . . . . 26 LEU HA . 16276 1 286 . 1 1 26 26 LEU HB2 H 1 1.177 0.03 . 2 . . . . 26 LEU HB2 . 16276 1 287 . 1 1 26 26 LEU HB3 H 1 1.337 0.03 . 2 . . . . 26 LEU HB3 . 16276 1 288 . 1 1 26 26 LEU HD11 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 289 . 1 1 26 26 LEU HD12 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 290 . 1 1 26 26 LEU HD13 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 291 . 1 1 26 26 LEU HD21 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 292 . 1 1 26 26 LEU HD22 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 293 . 1 1 26 26 LEU HD23 H 1 0.608 0.03 . 2 . . . . 26 LEU QQD . 16276 1 294 . 1 1 26 26 LEU HG H 1 1.028 0.03 . 1 . . . . 26 LEU HG . 16276 1 295 . 1 1 26 26 LEU C C 13 180.544 0.3 . 1 . . . . 26 LEU C . 16276 1 296 . 1 1 26 26 LEU CA C 13 57.860 0.3 . 1 . . . . 26 LEU CA . 16276 1 297 . 1 1 26 26 LEU CB C 13 41.382 0.3 . 1 . . . . 26 LEU CB . 16276 1 298 . 1 1 26 26 LEU CD1 C 13 24.800 0.3 . 2 . . . . 26 LEU CD1 . 16276 1 299 . 1 1 26 26 LEU CD2 C 13 24.080 0.3 . 2 . . . . 26 LEU CD2 . 16276 1 300 . 1 1 26 26 LEU CG C 13 26.770 0.3 . 1 . . . . 26 LEU CG . 16276 1 301 . 1 1 26 26 LEU N N 15 119.911 0.3 . 1 . . . . 26 LEU N . 16276 1 302 . 1 1 27 27 GLU H H 1 7.737 0.03 . 1 . . . . 27 GLU HN . 16276 1 303 . 1 1 27 27 GLU HA H 1 3.920 0.03 . 1 . . . . 27 GLU HA . 16276 1 304 . 1 1 27 27 GLU HB2 H 1 2.077 0.03 . 2 . . . . 27 GLU HB2 . 16276 1 305 . 1 1 27 27 GLU HB3 H 1 2.029 0.03 . 2 . . . . 27 GLU HB3 . 16276 1 306 . 1 1 27 27 GLU HG2 H 1 2.195 0.03 . 2 . . . . 27 GLU HG2 . 16276 1 307 . 1 1 27 27 GLU HG3 H 1 2.373 0.03 . 2 . . . . 27 GLU HG3 . 16276 1 308 . 1 1 27 27 GLU C C 13 178.625 0.3 . 1 . . . . 27 GLU C . 16276 1 309 . 1 1 27 27 GLU CA C 13 58.930 0.3 . 1 . . . . 27 GLU CA . 16276 1 310 . 1 1 27 27 GLU CB C 13 29.590 0.3 . 1 . . . . 27 GLU CB . 16276 1 311 . 1 1 27 27 GLU CG C 13 36.530 0.3 . 1 . . . . 27 GLU CG . 16276 1 312 . 1 1 27 27 GLU N N 15 118.262 0.3 . 1 . . . . 27 GLU N . 16276 1 313 . 1 1 28 28 LYS H H 1 7.498 0.03 . 1 . . . . 28 LYS HN . 16276 1 314 . 1 1 28 28 LYS HA H 1 3.975 0.03 . 1 . . . . 28 LYS HA . 16276 1 315 . 1 1 28 28 LYS HB2 H 1 1.154 0.03 . 2 . . . . 28 LYS HB2 . 16276 1 316 . 1 1 28 28 LYS HB3 H 1 1.444 0.03 . 2 . . . . 28 LYS HB3 . 16276 1 317 . 1 1 28 28 LYS HD2 H 1 1.551 0.03 . 2 . . . . 28 LYS QD . 16276 1 318 . 1 1 28 28 LYS HD3 H 1 1.551 0.03 . 2 . . . . 28 LYS QD . 16276 1 319 . 1 1 28 28 LYS HE2 H 1 2.905 0.03 . 2 . . . . 28 LYS HE2 . 16276 1 320 . 1 1 28 28 LYS HE3 H 1 2.867 0.03 . 2 . . . . 28 LYS HE3 . 16276 1 321 . 1 1 28 28 LYS HG2 H 1 0.758 0.03 . 2 . . . . 28 LYS QG . 16276 1 322 . 1 1 28 28 LYS HG3 H 1 0.758 0.03 . 2 . . . . 28 LYS QG . 16276 1 323 . 1 1 28 28 LYS C C 13 178.891 0.3 . 1 . . . . 28 LYS C . 16276 1 324 . 1 1 28 28 LYS CA C 13 58.260 0.3 . 1 . . . . 28 LYS CA . 16276 1 325 . 1 1 28 28 LYS CB C 13 33.605 0.3 . 1 . . . . 28 LYS CB . 16276 1 326 . 1 1 28 28 LYS CD C 13 29.410 0.3 . 1 . . . . 28 LYS CD . 16276 1 327 . 1 1 28 28 LYS CE C 13 42.036 0.3 . 1 . . . . 28 LYS CE . 16276 1 328 . 1 1 28 28 LYS CG C 13 25.090 0.3 . 1 . . . . 28 LYS CG . 16276 1 329 . 1 1 28 28 LYS N N 15 116.383 0.3 . 1 . . . . 28 LYS N . 16276 1 330 . 1 1 29 29 HIS H H 1 7.785 0.03 . 1 . . . . 29 HIS HN . 16276 1 331 . 1 1 29 29 HIS HA H 1 4.845 0.03 . 1 . . . . 29 HIS HA . 16276 1 332 . 1 1 29 29 HIS HB2 H 1 2.726 0.03 . 2 . . . . 29 HIS HB2 . 16276 1 333 . 1 1 29 29 HIS HB3 H 1 3.306 0.03 . 2 . . . . 29 HIS HB3 . 16276 1 334 . 1 1 29 29 HIS HD2 H 1 7.077 0.03 . 1 . . . . 29 HIS HD2 . 16276 1 335 . 1 1 29 29 HIS C C 13 174.328 0.3 . 1 . . . . 29 HIS C . 16276 1 336 . 1 1 29 29 HIS CA C 13 57.250 0.3 . 1 . . . . 29 HIS CA . 16276 1 337 . 1 1 29 29 HIS CB C 13 33.110 0.3 . 1 . . . . 29 HIS CB . 16276 1 338 . 1 1 29 29 HIS CD2 C 13 118.600 0.3 . 1 . . . . 29 HIS CD2 . 16276 1 339 . 1 1 29 29 HIS N N 15 113.669 0.3 . 1 . . . . 29 HIS N . 16276 1 340 . 1 1 30 30 ALA H H 1 8.105 0.03 . 1 . . . . 30 ALA HN . 16276 1 341 . 1 1 30 30 ALA HA H 1 4.988 0.03 . 1 . . . . 30 ALA HA . 16276 1 342 . 1 1 30 30 ALA HB1 H 1 1.315 0.03 . 1 . . . . 30 ALA QB . 16276 1 343 . 1 1 30 30 ALA HB2 H 1 1.315 0.03 . 1 . . . . 30 ALA QB . 16276 1 344 . 1 1 30 30 ALA HB3 H 1 1.315 0.03 . 1 . . . . 30 ALA QB . 16276 1 345 . 1 1 30 30 ALA CA C 13 49.431 0.3 . 1 . . . . 30 ALA CA . 16276 1 346 . 1 1 30 30 ALA CB C 13 20.400 0.3 . 1 . . . . 30 ALA CB . 16276 1 347 . 1 1 30 30 ALA N N 15 123.278 0.3 . 1 . . . . 30 ALA N . 16276 1 348 . 1 1 31 31 PRO HA H 1 4.431 0.03 . 1 . . . . 31 PRO HA . 16276 1 349 . 1 1 31 31 PRO HB2 H 1 2.387 0.03 . 2 . . . . 31 PRO HB2 . 16276 1 350 . 1 1 31 31 PRO HB3 H 1 1.823 0.03 . 2 . . . . 31 PRO HB3 . 16276 1 351 . 1 1 31 31 PRO HD2 H 1 3.411 0.03 . 2 . . . . 31 PRO HD2 . 16276 1 352 . 1 1 31 31 PRO HD3 H 1 3.760 0.03 . 2 . . . . 31 PRO HD3 . 16276 1 353 . 1 1 31 31 PRO HG2 H 1 1.976 0.03 . 2 . . . . 31 PRO HG2 . 16276 1 354 . 1 1 31 31 PRO HG3 H 1 2.060 0.03 . 2 . . . . 31 PRO HG3 . 16276 1 355 . 1 1 31 31 PRO C C 13 177.144 0.3 . 1 . . . . 31 PRO C . 16276 1 356 . 1 1 31 31 PRO CA C 13 62.410 0.3 . 1 . . . . 31 PRO CA . 16276 1 357 . 1 1 31 31 PRO CB C 13 32.435 0.3 . 1 . . . . 31 PRO CB . 16276 1 358 . 1 1 31 31 PRO CD C 13 50.840 0.3 . 1 . . . . 31 PRO CD . 16276 1 359 . 1 1 31 31 PRO CG C 13 28.220 0.3 . 1 . . . . 31 PRO CG . 16276 1 360 . 1 1 32 32 LYS H H 1 8.483 0.03 . 1 . . . . 32 LYS HN . 16276 1 361 . 1 1 32 32 LYS HA H 1 3.970 0.03 . 1 . . . . 32 LYS HA . 16276 1 362 . 1 1 32 32 LYS HB2 H 1 1.813 0.03 . 2 . . . . 32 LYS HB2 . 16276 1 363 . 1 1 32 32 LYS HB3 H 1 1.702 0.03 . 2 . . . . 32 LYS HB3 . 16276 1 364 . 1 1 32 32 LYS HD2 H 1 1.726 0.03 . 2 . . . . 32 LYS QD . 16276 1 365 . 1 1 32 32 LYS HD3 H 1 1.726 0.03 . 2 . . . . 32 LYS QD . 16276 1 366 . 1 1 32 32 LYS HE2 H 1 3.046 0.03 . 2 . . . . 32 LYS QE . 16276 1 367 . 1 1 32 32 LYS HE3 H 1 3.046 0.03 . 2 . . . . 32 LYS QE . 16276 1 368 . 1 1 32 32 LYS HG2 H 1 1.451 0.03 . 2 . . . . 32 LYS QG . 16276 1 369 . 1 1 32 32 LYS HG3 H 1 1.451 0.03 . 2 . . . . 32 LYS QG . 16276 1 370 . 1 1 32 32 LYS C C 13 177.029 0.3 . 1 . . . . 32 LYS C . 16276 1 371 . 1 1 32 32 LYS CA C 13 57.980 0.3 . 1 . . . . 32 LYS CA . 16276 1 372 . 1 1 32 32 LYS CB C 13 32.290 0.3 . 1 . . . . 32 LYS CB . 16276 1 373 . 1 1 32 32 LYS CD C 13 29.250 0.3 . 1 . . . . 32 LYS CD . 16276 1 374 . 1 1 32 32 LYS CE C 13 42.305 0.3 . 1 . . . . 32 LYS CE . 16276 1 375 . 1 1 32 32 LYS CG C 13 24.550 0.3 . 1 . . . . 32 LYS CG . 16276 1 376 . 1 1 32 32 LYS N N 15 122.817 0.3 . 1 . . . . 32 LYS N . 16276 1 377 . 1 1 33 33 ASP H H 1 8.775 0.03 . 1 . . . . 33 ASP HN . 16276 1 378 . 1 1 33 33 ASP HA H 1 4.300 0.03 . 1 . . . . 33 ASP HA . 16276 1 379 . 1 1 33 33 ASP HB2 H 1 2.931 0.03 . 2 . . . . 33 ASP HB2 . 16276 1 380 . 1 1 33 33 ASP HB3 H 1 2.827 0.03 . 2 . . . . 33 ASP HB3 . 16276 1 381 . 1 1 33 33 ASP C C 13 175.698 0.3 . 1 . . . . 33 ASP C . 16276 1 382 . 1 1 33 33 ASP CA C 13 55.322 0.3 . 1 . . . . 33 ASP CA . 16276 1 383 . 1 1 33 33 ASP CB C 13 39.193 0.3 . 1 . . . . 33 ASP CB . 16276 1 384 . 1 1 33 33 ASP N N 15 118.264 0.3 . 1 . . . . 33 ASP N . 16276 1 385 . 1 1 34 34 ARG H H 1 7.343 0.03 . 1 . . . . 34 ARG HN . 16276 1 386 . 1 1 34 34 ARG HA H 1 4.099 0.03 . 1 . . . . 34 ARG HA . 16276 1 387 . 1 1 34 34 ARG C C 13 175.032 0.3 . 1 . . . . 34 ARG C . 16276 1 388 . 1 1 34 34 ARG CA C 13 56.580 0.3 . 1 . . . . 34 ARG CA . 16276 1 389 . 1 1 34 34 ARG N N 15 119.380 0.3 . 1 . . . . 34 ARG N . 16276 1 390 . 1 1 35 35 VAL HA H 1 3.902 0.03 . 1 . . . . 35 VAL HA . 16276 1 391 . 1 1 35 35 VAL HB H 1 1.905 0.03 . 1 . . . . 35 VAL HB . 16276 1 392 . 1 1 35 35 VAL HG11 H 1 0.903 0.03 . 1 . . . . 35 VAL QG1 . 16276 1 393 . 1 1 35 35 VAL HG12 H 1 0.903 0.03 . 1 . . . . 35 VAL QG1 . 16276 1 394 . 1 1 35 35 VAL HG13 H 1 0.903 0.03 . 1 . . . . 35 VAL QG1 . 16276 1 395 . 1 1 35 35 VAL HG21 H 1 0.883 0.03 . 1 . . . . 35 VAL QG2 . 16276 1 396 . 1 1 35 35 VAL HG22 H 1 0.883 0.03 . 1 . . . . 35 VAL QG2 . 16276 1 397 . 1 1 35 35 VAL HG23 H 1 0.883 0.03 . 1 . . . . 35 VAL QG2 . 16276 1 398 . 1 1 35 35 VAL C C 13 174.43 0.3 . 1 . . . . 35 VAL C . 16276 1 399 . 1 1 35 35 VAL CA C 13 60.980 0.3 . 1 . . . . 35 VAL CA . 16276 1 400 . 1 1 35 35 VAL CB C 13 35.299 0.3 . 1 . . . . 35 VAL CB . 16276 1 401 . 1 1 35 35 VAL CG1 C 13 20.900 0.3 . 2 . . . . 35 VAL CG1 . 16276 1 402 . 1 1 35 35 VAL CG2 C 13 20.850 0.3 . 1 . . . . 35 VAL CG2 . 16276 1 403 . 1 1 36 36 TYR H H 1 8.747 0.03 . 1 . . . . 36 TYR HN . 16276 1 404 . 1 1 36 36 TYR HA H 1 4.076 0.03 . 1 . . . . 36 TYR HA . 16276 1 405 . 1 1 36 36 TYR HB2 H 1 2.677 0.03 . 2 . . . . 36 TYR HB2 . 16276 1 406 . 1 1 36 36 TYR HB3 H 1 2.281 0.03 . 2 . . . . 36 TYR HB3 . 16276 1 407 . 1 1 36 36 TYR HD1 H 1 7.180 0.03 . 3 . . . . 36 TYR QD . 16276 1 408 . 1 1 36 36 TYR HD2 H 1 7.180 0.03 . 3 . . . . 36 TYR QD . 16276 1 409 . 1 1 36 36 TYR HE1 H 1 6.983 0.03 . 3 . . . . 36 TYR QE . 16276 1 410 . 1 1 36 36 TYR HE2 H 1 6.983 0.03 . 3 . . . . 36 TYR QE . 16276 1 411 . 1 1 36 36 TYR C C 13 175.8 0.3 . 1 . . . . 36 TYR C . 16276 1 412 . 1 1 36 36 TYR CA C 13 58.150 0.3 . 1 . . . . 36 TYR CA . 16276 1 413 . 1 1 36 36 TYR CB C 13 37.729 0.3 . 1 . . . . 36 TYR CB . 16276 1 414 . 1 1 36 36 TYR N N 15 124.580 0.3 . 1 . . . . 36 TYR N . 16276 1 415 . 1 1 37 37 VAL H H 1 9.140 0.03 . 1 . . . . 37 VAL HN . 16276 1 416 . 1 1 37 37 VAL HA H 1 4.300 0.03 . 1 . . . . 37 VAL HA . 16276 1 417 . 1 1 37 37 VAL HB H 1 2.338 0.03 . 1 . . . . 37 VAL HB . 16276 1 418 . 1 1 37 37 VAL HG11 H 1 1.253 0.03 . 2 . . . . 37 VAL QG1 . 16276 1 419 . 1 1 37 37 VAL HG12 H 1 1.253 0.03 . 2 . . . . 37 VAL QG1 . 16276 1 420 . 1 1 37 37 VAL HG13 H 1 1.253 0.03 . 2 . . . . 37 VAL QG1 . 16276 1 421 . 1 1 37 37 VAL HG21 H 1 1.136 0.03 . 2 . . . . 37 VAL QG2 . 16276 1 422 . 1 1 37 37 VAL HG22 H 1 1.136 0.03 . 2 . . . . 37 VAL QG2 . 16276 1 423 . 1 1 37 37 VAL HG23 H 1 1.136 0.03 . 2 . . . . 37 VAL QG2 . 16276 1 424 . 1 1 37 37 VAL C C 13 179.947 0.3 . 1 . . . . 37 VAL C . 16276 1 425 . 1 1 37 37 VAL CA C 13 62.800 0.3 . 1 . . . . 37 VAL CA . 16276 1 426 . 1 1 37 37 VAL CB C 13 32.305 0.3 . 1 . . . . 37 VAL CB . 16276 1 427 . 1 1 37 37 VAL CG1 C 13 21.970 0.3 . 2 . . . . 37 VAL CG1 . 16276 1 428 . 1 1 37 37 VAL CG2 C 13 21.330 0.3 . 2 . . . . 37 VAL CG2 . 16276 1 429 . 1 1 37 37 VAL N N 15 129.122 0.3 . 1 . . . . 37 VAL N . 16276 1 430 . 1 1 38 38 SER H H 1 8.946 0.03 . 1 . . . . 38 SER HN . 16276 1 431 . 1 1 38 38 SER HA H 1 4.053 0.03 . 1 . . . . 38 SER HA . 16276 1 432 . 1 1 38 38 SER HB2 H 1 4.156 0.03 . 2 . . . . 38 SER HB2 . 16276 1 433 . 1 1 38 38 SER HB3 H 1 4.292 0.03 . 2 . . . . 38 SER HB3 . 16276 1 434 . 1 1 38 38 SER C C 13 175.281 0.3 . 1 . . . . 38 SER C . 16276 1 435 . 1 1 38 38 SER CA C 13 62.140 0.3 . 1 . . . . 38 SER CA . 16276 1 436 . 1 1 38 38 SER CB C 13 63.630 0.3 . 1 . . . . 38 SER CB . 16276 1 437 . 1 1 38 38 SER N N 15 123.618 0.3 . 1 . . . . 38 SER N . 16276 1 438 . 1 1 39 39 ALA H H 1 7.892 0.03 . 1 . . . . 39 ALA HN . 16276 1 439 . 1 1 39 39 ALA HA H 1 4.935 0.03 . 1 . . . . 39 ALA HA . 16276 1 440 . 1 1 39 39 ALA HB1 H 1 1.736 0.03 . 1 . . . . 39 ALA QB . 16276 1 441 . 1 1 39 39 ALA HB2 H 1 1.736 0.03 . 1 . . . . 39 ALA QB . 16276 1 442 . 1 1 39 39 ALA HB3 H 1 1.736 0.03 . 1 . . . . 39 ALA QB . 16276 1 443 . 1 1 39 39 ALA C C 13 180.03 0.3 . 1 . . . . 39 ALA C . 16276 1 444 . 1 1 39 39 ALA CA C 13 52.990 0.3 . 1 . . . . 39 ALA CA . 16276 1 445 . 1 1 39 39 ALA CB C 13 20.580 0.3 . 1 . . . . 39 ALA CB . 16276 1 446 . 1 1 39 39 ALA N N 15 115.860 0.3 . 1 . . . . 39 ALA N . 16276 1 447 . 1 1 40 40 LYS H H 1 8.183 0.03 . 1 . . . . 40 LYS HN . 16276 1 448 . 1 1 40 40 LYS HA H 1 4.698 0.03 . 1 . . . . 40 LYS HA . 16276 1 449 . 1 1 40 40 LYS HB2 H 1 2.280 0.03 . 2 . . . . 40 LYS HB2 . 16276 1 450 . 1 1 40 40 LYS HB3 H 1 1.884 0.03 . 2 . . . . 40 LYS HB3 . 16276 1 451 . 1 1 40 40 LYS HD2 H 1 1.824 0.03 . 2 . . . . 40 LYS QD . 16276 1 452 . 1 1 40 40 LYS HD3 H 1 1.824 0.03 . 2 . . . . 40 LYS QD . 16276 1 453 . 1 1 40 40 LYS HE2 H 1 3.107 0.03 . 2 . . . . 40 LYS QE . 16276 1 454 . 1 1 40 40 LYS HE3 H 1 3.107 0.03 . 2 . . . . 40 LYS QE . 16276 1 455 . 1 1 40 40 LYS HG2 H 1 1.460 0.03 . 2 . . . . 40 LYS HG2 . 16276 1 456 . 1 1 40 40 LYS HG3 H 1 1.608 0.03 . 2 . . . . 40 LYS HG3 . 16276 1 457 . 1 1 40 40 LYS C C 13 175.58 0.3 . 1 . . . . 40 LYS C . 16276 1 458 . 1 1 40 40 LYS CA C 13 56.720 0.3 . 1 . . . . 40 LYS CA . 16276 1 459 . 1 1 40 40 LYS CB C 13 33.592 0.3 . 1 . . . . 40 LYS CB . 16276 1 460 . 1 1 40 40 LYS CD C 13 29.120 0.3 . 1 . . . . 40 LYS CD . 16276 1 461 . 1 1 40 40 LYS CE C 13 42.349 0.3 . 1 . . . . 40 LYS CE . 16276 1 462 . 1 1 40 40 LYS CG C 13 26.600 0.3 . 1 . . . . 40 LYS CG . 16276 1 463 . 1 1 40 40 LYS N N 15 121.074 0.3 . 1 . . . . 40 LYS N . 16276 1 464 . 1 1 41 41 SER H H 1 8.538 0.03 . 1 . . . . 41 SER HN . 16276 1 465 . 1 1 41 41 SER HA H 1 5.110 0.03 . 1 . . . . 41 SER HA . 16276 1 466 . 1 1 41 41 SER HB2 H 1 3.797 0.03 . 2 . . . . 41 SER HB2 . 16276 1 467 . 1 1 41 41 SER HB3 H 1 3.991 0.03 . 2 . . . . 41 SER HB3 . 16276 1 468 . 1 1 41 41 SER C C 13 172.918 0.3 . 1 . . . . 41 SER C . 16276 1 469 . 1 1 41 41 SER CA C 13 58.720 0.3 . 1 . . . . 41 SER CA . 16276 1 470 . 1 1 41 41 SER CB C 13 64.890 0.3 . 1 . . . . 41 SER CB . 16276 1 471 . 1 1 41 41 SER N N 15 116.379 0.3 . 1 . . . . 41 SER N . 16276 1 472 . 1 1 42 42 TYR H H 1 9.485 0.03 . 1 . . . . 42 TYR HN . 16276 1 473 . 1 1 42 42 TYR HA H 1 4.689 0.03 . 1 . . . . 42 TYR HA . 16276 1 474 . 1 1 42 42 TYR HB2 H 1 2.810 0.03 . 2 . . . . 42 TYR HB2 . 16276 1 475 . 1 1 42 42 TYR HB3 H 1 3.056 0.03 . 2 . . . . 42 TYR HB3 . 16276 1 476 . 1 1 42 42 TYR HD1 H 1 7.187 0.03 . 3 . . . . 42 TYR QD . 16276 1 477 . 1 1 42 42 TYR HD2 H 1 7.187 0.03 . 3 . . . . 42 TYR QD . 16276 1 478 . 1 1 42 42 TYR HE1 H 1 7.000 0.03 . 3 . . . . 42 TYR QE . 16276 1 479 . 1 1 42 42 TYR HE2 H 1 7.000 0.03 . 3 . . . . 42 TYR QE . 16276 1 480 . 1 1 42 42 TYR C C 13 175.225 0.3 . 1 . . . . 42 TYR C . 16276 1 481 . 1 1 42 42 TYR CA C 13 57.040 0.3 . 1 . . . . 42 TYR CA . 16276 1 482 . 1 1 42 42 TYR CB C 13 43.130 0.3 . 1 . . . . 42 TYR CB . 16276 1 483 . 1 1 42 42 TYR N N 15 122.509 0.3 . 1 . . . . 42 TYR N . 16276 1 484 . 1 1 43 43 ALA H H 1 9.246 0.03 . 1 . . . . 43 ALA HN . 16276 1 485 . 1 1 43 43 ALA HA H 1 4.445 0.03 . 1 . . . . 43 ALA HA . 16276 1 486 . 1 1 43 43 ALA HB1 H 1 1.731 0.03 . 1 . . . . 43 ALA QB . 16276 1 487 . 1 1 43 43 ALA HB2 H 1 1.731 0.03 . 1 . . . . 43 ALA QB . 16276 1 488 . 1 1 43 43 ALA HB3 H 1 1.731 0.03 . 1 . . . . 43 ALA QB . 16276 1 489 . 1 1 43 43 ALA C C 13 179.62 0.3 . 1 . . . . 43 ALA C . 16276 1 490 . 1 1 43 43 ALA CA C 13 53.431 0.3 . 1 . . . . 43 ALA CA . 16276 1 491 . 1 1 43 43 ALA CB C 13 19.340 0.3 . 1 . . . . 43 ALA CB . 16276 1 492 . 1 1 43 43 ALA N N 15 125.114 0.3 . 1 . . . . 43 ALA N . 16276 1 493 . 1 1 44 44 GLU H H 1 9.427 0.03 . 1 . . . . 44 GLU HN . 16276 1 494 . 1 1 44 44 GLU HA H 1 4.006 0.03 . 1 . . . . 44 GLU HA . 16276 1 495 . 1 1 44 44 GLU C C 13 177.554 0.3 . 1 . . . . 44 GLU C . 16276 1 496 . 1 1 44 44 GLU CA C 13 59.580 0.3 . 1 . . . . 44 GLU CA . 16276 1 497 . 1 1 44 44 GLU N N 15 123.243 0.3 . 1 . . . . 44 GLU N . 16276 1 498 . 1 1 45 45 SER H H 1 8.497 0.03 . 1 . . . . 45 SER HN . 16276 1 499 . 1 1 45 45 SER HA H 1 4.108 0.03 . 1 . . . . 45 SER HA . 16276 1 500 . 1 1 45 45 SER HB2 H 1 4.110 0.03 . 2 . . . . 45 SER QB . 16276 1 501 . 1 1 45 45 SER HB3 H 1 4.110 0.03 . 2 . . . . 45 SER QB . 16276 1 502 . 1 1 45 45 SER C C 13 177.585 0.3 . 1 . . . . 45 SER C . 16276 1 503 . 1 1 45 45 SER CA C 13 61.510 0.3 . 1 . . . . 45 SER CA . 16276 1 504 . 1 1 45 45 SER CB C 13 62.400 0.3 . 1 . . . . 45 SER CB . 16276 1 505 . 1 1 45 45 SER N N 15 113.732 0.3 . 1 . . . . 45 SER N . 16276 1 506 . 1 1 46 46 GLU H H 1 7.649 0.03 . 1 . . . . 46 GLU HN . 16276 1 507 . 1 1 46 46 GLU HA H 1 4.371 0.03 . 1 . . . . 46 GLU HA . 16276 1 508 . 1 1 46 46 GLU HB2 H 1 2.485 0.03 . 2 . . . . 46 GLU QB . 16276 1 509 . 1 1 46 46 GLU HB3 H 1 2.485 0.03 . 2 . . . . 46 GLU QB . 16276 1 510 . 1 1 46 46 GLU HG2 H 1 2.635 0.03 . 2 . . . . 46 GLU QG . 16276 1 511 . 1 1 46 46 GLU HG3 H 1 2.635 0.03 . 2 . . . . 46 GLU QG . 16276 1 512 . 1 1 46 46 GLU C C 13 177.746 0.3 . 1 . . . . 46 GLU C . 16276 1 513 . 1 1 46 46 GLU CA C 13 60.580 0.3 . 1 . . . . 46 GLU CA . 16276 1 514 . 1 1 46 46 GLU CB C 13 30.060 0.3 . 1 . . . . 46 GLU CB . 16276 1 515 . 1 1 46 46 GLU CG C 13 37.357 0.3 . 1 . . . . 46 GLU CG . 16276 1 516 . 1 1 46 46 GLU N N 15 123.671 0.3 . 1 . . . . 46 GLU N . 16276 1 517 . 1 1 47 47 LEU H H 1 6.930 0.03 . 1 . . . . 47 LEU HN . 16276 1 518 . 1 1 47 47 LEU HA H 1 3.723 0.03 . 1 . . . . 47 LEU HA . 16276 1 519 . 1 1 47 47 LEU HB2 H 1 1.694 0.03 . 2 . . . . 47 LEU QB . 16276 1 520 . 1 1 47 47 LEU HB3 H 1 1.694 0.03 . 2 . . . . 47 LEU QB . 16276 1 521 . 1 1 47 47 LEU HD11 H 1 0.030 0.03 . 2 . . . . 47 LEU QD1 . 16276 1 522 . 1 1 47 47 LEU HD12 H 1 0.030 0.03 . 2 . . . . 47 LEU QD1 . 16276 1 523 . 1 1 47 47 LEU HD13 H 1 0.030 0.03 . 2 . . . . 47 LEU QD1 . 16276 1 524 . 1 1 47 47 LEU HD21 H 1 0.488 0.03 . 2 . . . . 47 LEU QD2 . 16276 1 525 . 1 1 47 47 LEU HD22 H 1 0.488 0.03 . 2 . . . . 47 LEU QD2 . 16276 1 526 . 1 1 47 47 LEU HD23 H 1 0.488 0.03 . 2 . . . . 47 LEU QD2 . 16276 1 527 . 1 1 47 47 LEU HG H 1 1.122 0.03 . 1 . . . . 47 LEU HG . 16276 1 528 . 1 1 47 47 LEU C C 13 178.892 0.3 . 1 . . . . 47 LEU C . 16276 1 529 . 1 1 47 47 LEU CA C 13 58.580 0.3 . 1 . . . . 47 LEU CA . 16276 1 530 . 1 1 47 47 LEU CB C 13 40.739 0.3 . 1 . . . . 47 LEU CB . 16276 1 531 . 1 1 47 47 LEU CD1 C 13 24.440 0.3 . 2 . . . . 47 LEU CD1 . 16276 1 532 . 1 1 47 47 LEU CD2 C 13 25.210 0.3 . 2 . . . . 47 LEU CD2 . 16276 1 533 . 1 1 47 47 LEU CG C 13 26.860 0.3 . 1 . . . . 47 LEU CG . 16276 1 534 . 1 1 47 47 LEU N N 15 117.888 0.3 . 1 . . . . 47 LEU N . 16276 1 535 . 1 1 48 48 PHE HA H 1 4.210 0.03 . 1 . . . . 48 PHE HA . 16276 1 536 . 1 1 48 48 PHE HB2 H 1 3.328 0.03 . 2 . . . . 48 PHE HB2 . 16276 1 537 . 1 1 48 48 PHE HB3 H 1 3.124 0.03 . 2 . . . . 48 PHE HB3 . 16276 1 538 . 1 1 48 48 PHE HD1 H 1 7.384 0.03 . 3 . . . . 48 PHE QD . 16276 1 539 . 1 1 48 48 PHE HD2 H 1 7.384 0.03 . 3 . . . . 48 PHE QD . 16276 1 540 . 1 1 48 48 PHE HE1 H 1 7.256 0.03 . 3 . . . . 48 PHE QE . 16276 1 541 . 1 1 48 48 PHE HE2 H 1 7.256 0.03 . 3 . . . . 48 PHE QE . 16276 1 542 . 1 1 48 48 PHE C C 13 178.545 0.3 . 1 . . . . 48 PHE C . 16276 1 543 . 1 1 48 48 PHE CA C 13 60.470 0.3 . 1 . . . . 48 PHE CA . 16276 1 544 . 1 1 48 48 PHE CB C 13 37.705 0.3 . 1 . . . . 48 PHE CB . 16276 1 545 . 1 1 48 48 PHE CD1 C 13 131.128 0.3 . 4 . . . . 48 PHE CD1 . 16276 1 546 . 1 1 49 49 SER H H 1 8.451 0.03 . 1 . . . . 49 SER HN . 16276 1 547 . 1 1 49 49 SER HA H 1 3.932 0.03 . 1 . . . . 49 SER HA . 16276 1 548 . 1 1 49 49 SER HB2 H 1 4.100 0.03 . 2 . . . . 49 SER HB2 . 16276 1 549 . 1 1 49 49 SER HB3 H 1 3.792 0.03 . 2 . . . . 49 SER HB3 . 16276 1 550 . 1 1 49 49 SER C C 13 176.404 0.3 . 1 . . . . 49 SER C . 16276 1 551 . 1 1 49 49 SER CA C 13 62.340 0.3 . 1 . . . . 49 SER CA . 16276 1 552 . 1 1 49 49 SER CB C 13 62.600 0.3 . 1 . . . . 49 SER CB . 16276 1 553 . 1 1 49 49 SER N N 15 116.198 0.3 . 1 . . . . 49 SER N . 16276 1 554 . 1 1 50 50 ILE H H 1 7.414 0.03 . 1 . . . . 50 ILE HN . 16276 1 555 . 1 1 50 50 ILE HA H 1 3.268 0.03 . 1 . . . . 50 ILE HA . 16276 1 556 . 1 1 50 50 ILE HB H 1 1.860 0.03 . 1 . . . . 50 ILE HB . 16276 1 557 . 1 1 50 50 ILE HD11 H 1 0.875 0.03 . 1 . . . . 50 ILE QD1 . 16276 1 558 . 1 1 50 50 ILE HD12 H 1 0.875 0.03 . 1 . . . . 50 ILE QD1 . 16276 1 559 . 1 1 50 50 ILE HD13 H 1 0.875 0.03 . 1 . . . . 50 ILE QD1 . 16276 1 560 . 1 1 50 50 ILE HG12 H 1 0.578 0.03 . 2 . . . . 50 ILE QG1 . 16276 1 561 . 1 1 50 50 ILE HG13 H 1 0.578 0.03 . 2 . . . . 50 ILE QG1 . 16276 1 562 . 1 1 50 50 ILE HG21 H 1 0.904 0.03 . 1 . . . . 50 ILE QG2 . 16276 1 563 . 1 1 50 50 ILE HG22 H 1 0.904 0.03 . 1 . . . . 50 ILE QG2 . 16276 1 564 . 1 1 50 50 ILE HG23 H 1 0.904 0.03 . 1 . . . . 50 ILE QG2 . 16276 1 565 . 1 1 50 50 ILE C C 13 178.078 0.3 . 1 . . . . 50 ILE C . 16276 1 566 . 1 1 50 50 ILE CA C 13 66.670 0.3 . 1 . . . . 50 ILE CA . 16276 1 567 . 1 1 50 50 ILE CB C 13 38.626 0.3 . 1 . . . . 50 ILE CB . 16276 1 568 . 1 1 50 50 ILE CD1 C 13 18.700 0.3 . 1 . . . . 50 ILE CD1 . 16276 1 569 . 1 1 50 50 ILE CG1 C 13 30.990 0.3 . 1 . . . . 50 ILE CG1 . 16276 1 570 . 1 1 50 50 ILE CG2 C 13 18.650 0.3 . 1 . . . . 50 ILE CG2 . 16276 1 571 . 1 1 50 50 ILE N N 15 121.719 0.3 . 1 . . . . 50 ILE N . 16276 1 572 . 1 1 51 51 VAL H H 1 8.403 0.03 . 1 . . . . 51 VAL HN . 16276 1 573 . 1 1 51 51 VAL HA H 1 3.310 0.03 . 1 . . . . 51 VAL HA . 16276 1 574 . 1 1 51 51 VAL HB H 1 1.945 0.03 . 1 . . . . 51 VAL HB . 16276 1 575 . 1 1 51 51 VAL HG11 H 1 0.700 0.03 . 2 . . . . 51 VAL QG1 . 16276 1 576 . 1 1 51 51 VAL HG12 H 1 0.700 0.03 . 2 . . . . 51 VAL QG1 . 16276 1 577 . 1 1 51 51 VAL HG13 H 1 0.700 0.03 . 2 . . . . 51 VAL QG1 . 16276 1 578 . 1 1 51 51 VAL HG21 H 1 0.680 0.03 . 2 . . . . 51 VAL QG2 . 16276 1 579 . 1 1 51 51 VAL HG22 H 1 0.680 0.03 . 2 . . . . 51 VAL QG2 . 16276 1 580 . 1 1 51 51 VAL HG23 H 1 0.680 0.03 . 2 . . . . 51 VAL QG2 . 16276 1 581 . 1 1 51 51 VAL C C 13 177.075 0.3 . 1 . . . . 51 VAL C . 16276 1 582 . 1 1 51 51 VAL CA C 13 67.330 0.3 . 1 . . . . 51 VAL CA . 16276 1 583 . 1 1 51 51 VAL CB C 13 31.366 0.3 . 1 . . . . 51 VAL CB . 16276 1 584 . 1 1 51 51 VAL CG1 C 13 21.800 0.3 . 2 . . . . 51 VAL CG1 . 16276 1 585 . 1 1 51 51 VAL CG2 C 13 23.190 0.3 . 2 . . . . 51 VAL CG2 . 16276 1 586 . 1 1 51 51 VAL N N 15 117.884 0.3 . 1 . . . . 51 VAL N . 16276 1 587 . 1 1 52 52 GLN H H 1 8.213 0.03 . 1 . . . . 52 GLN HN . 16276 1 588 . 1 1 52 52 GLN HA H 1 3.920 0.03 . 1 . . . . 52 GLN HA . 16276 1 589 . 1 1 52 52 GLN HB2 H 1 2.135 0.03 . 2 . . . . 52 GLN QB . 16276 1 590 . 1 1 52 52 GLN HB3 H 1 2.135 0.03 . 2 . . . . 52 GLN QB . 16276 1 591 . 1 1 52 52 GLN HG2 H 1 2.482 0.03 . 2 . . . . 52 GLN HG2 . 16276 1 592 . 1 1 52 52 GLN HG3 H 1 2.354 0.03 . 2 . . . . 52 GLN HG3 . 16276 1 593 . 1 1 52 52 GLN C C 13 177.778 0.3 . 1 . . . . 52 GLN C . 16276 1 594 . 1 1 52 52 GLN CA C 13 59.450 0.3 . 1 . . . . 52 GLN CA . 16276 1 595 . 1 1 52 52 GLN CB C 13 28.610 0.3 . 1 . . . . 52 GLN CB . 16276 1 596 . 1 1 52 52 GLN CG C 13 34.394 0.3 . 1 . . . . 52 GLN CG . 16276 1 597 . 1 1 52 52 GLN N N 15 118.487 0.3 . 1 . . . . 52 GLN N . 16276 1 598 . 1 1 53 53 ASP H H 1 7.232 0.03 . 1 . . . . 53 ASP HN . 16276 1 599 . 1 1 53 53 ASP HA H 1 4.562 0.03 . 1 . . . . 53 ASP HA . 16276 1 600 . 1 1 53 53 ASP HB2 H 1 2.770 0.03 . 2 . . . . 53 ASP HB2 . 16276 1 601 . 1 1 53 53 ASP HB3 H 1 3.017 0.03 . 2 . . . . 53 ASP HB3 . 16276 1 602 . 1 1 53 53 ASP C C 13 178.497 0.3 . 1 . . . . 53 ASP C . 16276 1 603 . 1 1 53 53 ASP CA C 13 56.480 0.3 . 1 . . . . 53 ASP CA . 16276 1 604 . 1 1 53 53 ASP CB C 13 41.957 0.3 . 1 . . . . 53 ASP CB . 16276 1 605 . 1 1 53 53 ASP N N 15 120.892 0.3 . 1 . . . . 53 ASP N . 16276 1 606 . 1 1 54 54 VAL H H 1 8.520 0.03 . 1 . . . . 54 VAL HN . 16276 1 607 . 1 1 54 54 VAL HA H 1 3.361 0.03 . 1 . . . . 54 VAL HA . 16276 1 608 . 1 1 54 54 VAL HB H 1 2.165 0.03 . 1 . . . . 54 VAL HB . 16276 1 609 . 1 1 54 54 VAL HG11 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 610 . 1 1 54 54 VAL HG12 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 611 . 1 1 54 54 VAL HG13 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 612 . 1 1 54 54 VAL HG21 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 613 . 1 1 54 54 VAL HG22 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 614 . 1 1 54 54 VAL HG23 H 1 0.763 0.03 . 1 . . . . 54 VAL QQG . 16276 1 615 . 1 1 54 54 VAL C C 13 177.218 0.3 . 1 . . . . 54 VAL C . 16276 1 616 . 1 1 54 54 VAL CA C 13 67.750 0.3 . 1 . . . . 54 VAL CA . 16276 1 617 . 1 1 54 54 VAL CB C 13 31.333 0.3 . 1 . . . . 54 VAL CB . 16276 1 618 . 1 1 54 54 VAL CG1 C 13 21.470 0.3 . 2 . . . . 54 VAL CG1 . 16276 1 619 . 1 1 54 54 VAL N N 15 119.882 0.3 . 1 . . . . 54 VAL N . 16276 1 620 . 1 1 55 55 ALA H H 1 8.426 0.03 . 1 . . . . 55 ALA HN . 16276 1 621 . 1 1 55 55 ALA HA H 1 3.888 0.03 . 1 . . . . 55 ALA HA . 16276 1 622 . 1 1 55 55 ALA HB1 H 1 1.539 0.03 . 1 . . . . 55 ALA QB . 16276 1 623 . 1 1 55 55 ALA HB2 H 1 1.539 0.03 . 1 . . . . 55 ALA QB . 16276 1 624 . 1 1 55 55 ALA HB3 H 1 1.539 0.03 . 1 . . . . 55 ALA QB . 16276 1 625 . 1 1 55 55 ALA C C 13 179.199 0.3 . 1 . . . . 55 ALA C . 16276 1 626 . 1 1 55 55 ALA CA C 13 56.466 0.3 . 1 . . . . 55 ALA CA . 16276 1 627 . 1 1 55 55 ALA CB C 13 17.710 0.3 . 1 . . . . 55 ALA CB . 16276 1 628 . 1 1 55 55 ALA N N 15 120.329 0.3 . 1 . . . . 55 ALA N . 16276 1 629 . 1 1 56 56 GLN H H 1 7.655 0.03 . 1 . . . . 56 GLN HN . 16276 1 630 . 1 1 56 56 GLN HA H 1 4.193 0.03 . 1 . . . . 56 GLN HA . 16276 1 631 . 1 1 56 56 GLN HB2 H 1 2.421 0.03 . 2 . . . . 56 GLN QB . 16276 1 632 . 1 1 56 56 GLN HB3 H 1 2.421 0.03 . 2 . . . . 56 GLN QB . 16276 1 633 . 1 1 56 56 GLN HG2 H 1 2.665 0.03 . 2 . . . . 56 GLN QG . 16276 1 634 . 1 1 56 56 GLN HG3 H 1 2.665 0.03 . 2 . . . . 56 GLN QG . 16276 1 635 . 1 1 56 56 GLN C C 13 180.329 0.3 . 1 . . . . 56 GLN C . 16276 1 636 . 1 1 56 56 GLN CA C 13 59.040 0.3 . 1 . . . . 56 GLN CA . 16276 1 637 . 1 1 56 56 GLN CB C 13 28.410 0.3 . 1 . . . . 56 GLN CB . 16276 1 638 . 1 1 56 56 GLN CG C 13 34.096 0.3 . 1 . . . . 56 GLN CG . 16276 1 639 . 1 1 56 56 GLN N N 15 116.488 0.3 . 1 . . . . 56 GLN N . 16276 1 640 . 1 1 57 57 ARG H H 1 8.505 0.03 . 1 . . . . 57 ARG HN . 16276 1 641 . 1 1 57 57 ARG HA H 1 4.101 0.03 . 1 . . . . 57 ARG HA . 16276 1 642 . 1 1 57 57 ARG HB2 H 1 1.941 0.03 . 2 . . . . 57 ARG QB . 16276 1 643 . 1 1 57 57 ARG HB3 H 1 1.941 0.03 . 2 . . . . 57 ARG QB . 16276 1 644 . 1 1 57 57 ARG HD2 H 1 3.276 0.03 . 2 . . . . 57 ARG HD2 . 16276 1 645 . 1 1 57 57 ARG HD3 H 1 2.888 0.03 . 2 . . . . 57 ARG HD3 . 16276 1 646 . 1 1 57 57 ARG HG2 H 1 1.777 0.03 . 2 . . . . 57 ARG HG2 . 16276 1 647 . 1 1 57 57 ARG HG3 H 1 1.949 0.03 . 2 . . . . 57 ARG HG3 . 16276 1 648 . 1 1 57 57 ARG C C 13 179.011 0.3 . 1 . . . . 57 ARG C . 16276 1 649 . 1 1 57 57 ARG CA C 13 58.900 0.3 . 1 . . . . 57 ARG CA . 16276 1 650 . 1 1 57 57 ARG CB C 13 29.830 0.3 . 1 . . . . 57 ARG CB . 16276 1 651 . 1 1 57 57 ARG CD C 13 43.461 0.3 . 1 . . . . 57 ARG CD . 16276 1 652 . 1 1 57 57 ARG CG C 13 28.790 0.3 . 1 . . . . 57 ARG CG . 16276 1 653 . 1 1 57 57 ARG N N 15 120.836 0.3 . 1 . . . . 57 ARG N . 16276 1 654 . 1 1 58 58 LEU H H 1 8.206 0.03 . 1 . . . . 58 LEU HN . 16276 1 655 . 1 1 58 58 LEU HA H 1 4.274 0.03 . 1 . . . . 58 LEU HA . 16276 1 656 . 1 1 58 58 LEU HB2 H 1 1.568 0.03 . 2 . . . . 58 LEU QB . 16276 1 657 . 1 1 58 58 LEU HB3 H 1 1.568 0.03 . 2 . . . . 58 LEU QB . 16276 1 658 . 1 1 58 58 LEU HD11 H 1 0.697 0.03 . 2 . . . . 58 LEU QD1 . 16276 1 659 . 1 1 58 58 LEU HD12 H 1 0.697 0.03 . 2 . . . . 58 LEU QD1 . 16276 1 660 . 1 1 58 58 LEU HD13 H 1 0.697 0.03 . 2 . . . . 58 LEU QD1 . 16276 1 661 . 1 1 58 58 LEU HD21 H 1 0.810 0.03 . 2 . . . . 58 LEU QD2 . 16276 1 662 . 1 1 58 58 LEU HD22 H 1 0.810 0.03 . 2 . . . . 58 LEU QD2 . 16276 1 663 . 1 1 58 58 LEU HD23 H 1 0.810 0.03 . 2 . . . . 58 LEU QD2 . 16276 1 664 . 1 1 58 58 LEU HG H 1 1.743 0.03 . 1 . . . . 58 LEU HG . 16276 1 665 . 1 1 58 58 LEU C C 13 176.356 0.3 . 1 . . . . 58 LEU C . 16276 1 666 . 1 1 58 58 LEU CA C 13 54.924 0.3 . 1 . . . . 58 LEU CA . 16276 1 667 . 1 1 58 58 LEU CB C 13 42.248 0.3 . 1 . . . . 58 LEU CB . 16276 1 668 . 1 1 58 58 LEU CD1 C 13 25.870 0.3 . 2 . . . . 58 LEU CD1 . 16276 1 669 . 1 1 58 58 LEU CD2 C 13 22.260 0.3 . 2 . . . . 58 LEU CD2 . 16276 1 670 . 1 1 58 58 LEU CG C 13 26.800 0.3 . 1 . . . . 58 LEU CG . 16276 1 671 . 1 1 58 58 LEU N N 15 117.022 0.3 . 1 . . . . 58 LEU N . 16276 1 672 . 1 1 59 59 ASN H H 1 8.000 0.03 . 1 . . . . 59 ASN HN . 16276 1 673 . 1 1 59 59 ASN HA H 1 4.339 0.03 . 1 . . . . 59 ASN HA . 16276 1 674 . 1 1 59 59 ASN HB2 H 1 3.232 0.03 . 2 . . . . 59 ASN HB2 . 16276 1 675 . 1 1 59 59 ASN HB3 H 1 2.670 0.03 . 2 . . . . 59 ASN HB3 . 16276 1 676 . 1 1 59 59 ASN C C 13 173.944 0.3 . 1 . . . . 59 ASN C . 16276 1 677 . 1 1 59 59 ASN CA C 13 54.027 0.3 . 1 . . . . 59 ASN CA . 16276 1 678 . 1 1 59 59 ASN CB C 13 37.342 0.3 . 1 . . . . 59 ASN CB . 16276 1 679 . 1 1 59 59 ASN N N 15 118.044 0.3 . 1 . . . . 59 ASN N . 16276 1 680 . 1 1 60 60 MET H H 1 8.235 0.03 . 1 . . . . 60 MET HN . 16276 1 681 . 1 1 60 60 MET HA H 1 4.969 0.03 . 1 . . . . 60 MET HA . 16276 1 682 . 1 1 60 60 MET HB2 H 1 1.460 0.03 . 2 . . . . 60 MET HB2 . 16276 1 683 . 1 1 60 60 MET HB3 H 1 1.945 0.03 . 2 . . . . 60 MET HB3 . 16276 1 684 . 1 1 60 60 MET HG2 H 1 2.512 0.03 . 2 . . . . 60 MET HG2 . 16276 1 685 . 1 1 60 60 MET HG3 H 1 2.448 0.03 . 2 . . . . 60 MET HG3 . 16276 1 686 . 1 1 60 60 MET C C 13 173.027 0.3 . 1 . . . . 60 MET C . 16276 1 687 . 1 1 60 60 MET CA C 13 52.990 0.3 . 1 . . . . 60 MET CA . 16276 1 688 . 1 1 60 60 MET CB C 13 37.297 0.3 . 1 . . . . 60 MET CB . 16276 1 689 . 1 1 60 60 MET CG C 13 31.369 0.3 . 1 . . . . 60 MET CG . 16276 1 690 . 1 1 60 60 MET N N 15 117.351 0.3 . 1 . . . . 60 MET N . 16276 1 691 . 1 1 61 61 PRO HA H 1 4.433 0.03 . 1 . . . . 61 PRO HA . 16276 1 692 . 1 1 61 61 PRO HB2 H 1 2.394 0.03 . 2 . . . . 61 PRO HB2 . 16276 1 693 . 1 1 61 61 PRO HB3 H 1 1.812 0.03 . 2 . . . . 61 PRO HB3 . 16276 1 694 . 1 1 61 61 PRO HD2 H 1 3.413 0.03 . 2 . . . . 61 PRO HD2 . 16276 1 695 . 1 1 61 61 PRO HD3 H 1 3.758 0.03 . 2 . . . . 61 PRO HD3 . 16276 1 696 . 1 1 61 61 PRO HG2 H 1 2.062 0.03 . 2 . . . . 61 PRO HG2 . 16276 1 697 . 1 1 61 61 PRO HG3 H 1 1.988 0.03 . 2 . . . . 61 PRO HG3 . 16276 1 698 . 1 1 61 61 PRO C C 13 178.924 0.3 . 1 . . . . 61 PRO C . 16276 1 699 . 1 1 61 61 PRO CA C 13 62.420 0.3 . 1 . . . . 61 PRO CA . 16276 1 700 . 1 1 61 61 PRO CB C 13 32.486 0.3 . 1 . . . . 61 PRO CB . 16276 1 701 . 1 1 61 61 PRO CD C 13 50.854 0.3 . 1 . . . . 61 PRO CD . 16276 1 702 . 1 1 61 61 PRO CG C 13 28.130 0.3 . 1 . . . . 61 PRO CG . 16276 1 703 . 1 1 62 62 ILE H H 1 8.755 0.03 . 1 . . . . 62 ILE HN . 16276 1 704 . 1 1 62 62 ILE HA H 1 3.591 0.03 . 1 . . . . 62 ILE HA . 16276 1 705 . 1 1 62 62 ILE HB H 1 1.840 0.03 . 1 . . . . 62 ILE HB . 16276 1 706 . 1 1 62 62 ILE HD11 H 1 0.937 0.03 . 1 . . . . 62 ILE QD1 . 16276 1 707 . 1 1 62 62 ILE HD12 H 1 0.937 0.03 . 1 . . . . 62 ILE QD1 . 16276 1 708 . 1 1 62 62 ILE HD13 H 1 0.937 0.03 . 1 . . . . 62 ILE QD1 . 16276 1 709 . 1 1 62 62 ILE HG12 H 1 1.151 0.03 . 2 . . . . 62 ILE HG12 . 16276 1 710 . 1 1 62 62 ILE HG13 H 1 1.505 0.03 . 2 . . . . 62 ILE HG13 . 16276 1 711 . 1 1 62 62 ILE HG21 H 1 0.921 0.03 . 1 . . . . 62 ILE QG2 . 16276 1 712 . 1 1 62 62 ILE HG22 H 1 0.921 0.03 . 1 . . . . 62 ILE QG2 . 16276 1 713 . 1 1 62 62 ILE HG23 H 1 0.921 0.03 . 1 . . . . 62 ILE QG2 . 16276 1 714 . 1 1 62 62 ILE C C 13 177.347 0.3 . 1 . . . . 62 ILE C . 16276 1 715 . 1 1 62 62 ILE CA C 13 65.020 0.3 . 1 . . . . 62 ILE CA . 16276 1 716 . 1 1 62 62 ILE CB C 13 38.188 0.3 . 1 . . . . 62 ILE CB . 16276 1 717 . 1 1 62 62 ILE CD1 C 13 14.360 0.3 . 1 . . . . 62 ILE CD1 . 16276 1 718 . 1 1 62 62 ILE CG1 C 13 30.070 0.3 . 1 . . . . 62 ILE CG1 . 16276 1 719 . 1 1 62 62 ILE CG2 C 13 17.410 0.3 . 1 . . . . 62 ILE CG2 . 16276 1 720 . 1 1 62 62 ILE N N 15 124.672 0.3 . 1 . . . . 62 ILE N . 16276 1 721 . 1 1 63 63 GLN H H 1 8.885 0.03 . 1 . . . . 63 GLN HN . 16276 1 722 . 1 1 63 63 GLN HA H 1 3.736 0.03 . 1 . . . . 63 GLN HA . 16276 1 723 . 1 1 63 63 GLN HB2 H 1 1.274 0.03 . 2 . . . . 63 GLN HB2 . 16276 1 724 . 1 1 63 63 GLN HB3 H 1 1.104 0.03 . 2 . . . . 63 GLN HB3 . 16276 1 725 . 1 1 63 63 GLN HG2 H 1 1.941 0.03 . 2 . . . . 63 GLN HG2 . 16276 1 726 . 1 1 63 63 GLN HG3 H 1 1.720 0.03 . 2 . . . . 63 GLN HG3 . 16276 1 727 . 1 1 63 63 GLN C C 13 177.395 0.3 . 1 . . . . 63 GLN C . 16276 1 728 . 1 1 63 63 GLN CA C 13 58.890 0.3 . 1 . . . . 63 GLN CA . 16276 1 729 . 1 1 63 63 GLN CB C 13 26.790 0.3 . 1 . . . . 63 GLN CB . 16276 1 730 . 1 1 63 63 GLN CG C 13 32.571 0.3 . 1 . . . . 63 GLN CG . 16276 1 731 . 1 1 63 63 GLN N N 15 117.950 0.3 . 1 . . . . 63 GLN N . 16276 1 732 . 1 1 64 64 ASP H H 1 7.007 0.03 . 1 . . . . 64 ASP HN . 16276 1 733 . 1 1 64 64 ASP HA H 1 4.415 0.03 . 1 . . . . 64 ASP HA . 16276 1 734 . 1 1 64 64 ASP HB2 H 1 2.689 0.03 . 2 . . . . 64 ASP HB2 . 16276 1 735 . 1 1 64 64 ASP HB3 H 1 2.577 0.03 . 2 . . . . 64 ASP HB3 . 16276 1 736 . 1 1 64 64 ASP C C 13 179.775 0.3 . 1 . . . . 64 ASP C . 16276 1 737 . 1 1 64 64 ASP CA C 13 57.331 0.3 . 1 . . . . 64 ASP CA . 16276 1 738 . 1 1 64 64 ASP CB C 13 40.425 0.3 . 1 . . . . 64 ASP CB . 16276 1 739 . 1 1 64 64 ASP N N 15 118.292 0.3 . 1 . . . . 64 ASP N . 16276 1 740 . 1 1 65 65 VAL H H 1 7.677 0.03 . 1 . . . . 65 VAL HN . 16276 1 741 . 1 1 65 65 VAL HA H 1 3.622 0.03 . 1 . . . . 65 VAL HA . 16276 1 742 . 1 1 65 65 VAL HB H 1 2.081 0.03 . 1 . . . . 65 VAL HB . 16276 1 743 . 1 1 65 65 VAL HG11 H 1 0.756 0.03 . 2 . . . . 65 VAL QG1 . 16276 1 744 . 1 1 65 65 VAL HG12 H 1 0.756 0.03 . 2 . . . . 65 VAL QG1 . 16276 1 745 . 1 1 65 65 VAL HG13 H 1 0.756 0.03 . 2 . . . . 65 VAL QG1 . 16276 1 746 . 1 1 65 65 VAL HG21 H 1 0.917 0.03 . 2 . . . . 65 VAL QG2 . 16276 1 747 . 1 1 65 65 VAL HG22 H 1 0.917 0.03 . 2 . . . . 65 VAL QG2 . 16276 1 748 . 1 1 65 65 VAL HG23 H 1 0.917 0.03 . 2 . . . . 65 VAL QG2 . 16276 1 749 . 1 1 65 65 VAL C C 13 177.411 0.3 . 1 . . . . 65 VAL C . 16276 1 750 . 1 1 65 65 VAL CA C 13 66.480 0.3 . 1 . . . . 65 VAL CA . 16276 1 751 . 1 1 65 65 VAL CB C 13 31.359 0.3 . 1 . . . . 65 VAL CB . 16276 1 752 . 1 1 65 65 VAL CG1 C 13 21.040 0.3 . 2 . . . . 65 VAL CG1 . 16276 1 753 . 1 1 65 65 VAL CG2 C 13 24.390 0.3 . 2 . . . . 65 VAL CG2 . 16276 1 754 . 1 1 65 65 VAL N N 15 123.464 0.3 . 1 . . . . 65 VAL N . 16276 1 755 . 1 1 66 66 VAL H H 1 8.520 0.03 . 1 . . . . 66 VAL HN . 16276 1 756 . 1 1 66 66 VAL HA H 1 3.508 0.03 . 1 . . . . 66 VAL HA . 16276 1 757 . 1 1 66 66 VAL HB H 1 2.141 0.03 . 1 . . . . 66 VAL HB . 16276 1 758 . 1 1 66 66 VAL HG11 H 1 1.039 0.03 . 2 . . . . 66 VAL QG1 . 16276 1 759 . 1 1 66 66 VAL HG12 H 1 1.039 0.03 . 2 . . . . 66 VAL QG1 . 16276 1 760 . 1 1 66 66 VAL HG13 H 1 1.039 0.03 . 2 . . . . 66 VAL QG1 . 16276 1 761 . 1 1 66 66 VAL HG21 H 1 0.993 0.03 . 2 . . . . 66 VAL QG2 . 16276 1 762 . 1 1 66 66 VAL HG22 H 1 0.993 0.03 . 2 . . . . 66 VAL QG2 . 16276 1 763 . 1 1 66 66 VAL HG23 H 1 0.993 0.03 . 2 . . . . 66 VAL QG2 . 16276 1 764 . 1 1 66 66 VAL C C 13 177.762 0.3 . 1 . . . . 66 VAL C . 16276 1 765 . 1 1 66 66 VAL CA C 13 67.760 0.3 . 1 . . . . 66 VAL CA . 16276 1 766 . 1 1 66 66 VAL CB C 13 31.290 0.3 . 1 . . . . 66 VAL CB . 16276 1 767 . 1 1 66 66 VAL CG1 C 13 24.290 0.3 . 2 . . . . 66 VAL CG1 . 16276 1 768 . 1 1 66 66 VAL CG2 C 13 23.250 0.3 . 2 . . . . 66 VAL CG2 . 16276 1 769 . 1 1 66 66 VAL N N 15 120.552 0.3 . 1 . . . . 66 VAL N . 16276 1 770 . 1 1 67 67 LYS H H 1 7.932 0.03 . 1 . . . . 67 LYS HN . 16276 1 771 . 1 1 67 67 LYS HA H 1 4.383 0.03 . 1 . . . . 67 LYS HA . 16276 1 772 . 1 1 67 67 LYS HB2 H 1 1.952 0.03 . 2 . . . . 67 LYS HB2 . 16276 1 773 . 1 1 67 67 LYS HB3 H 1 1.989 0.03 . 2 . . . . 67 LYS HB3 . 16276 1 774 . 1 1 67 67 LYS HD2 H 1 1.855 0.03 . 2 . . . . 67 LYS QD . 16276 1 775 . 1 1 67 67 LYS HD3 H 1 1.855 0.03 . 2 . . . . 67 LYS QD . 16276 1 776 . 1 1 67 67 LYS HE2 H 1 2.939 0.03 . 2 . . . . 67 LYS QE . 16276 1 777 . 1 1 67 67 LYS HE3 H 1 2.939 0.03 . 2 . . . . 67 LYS QE . 16276 1 778 . 1 1 67 67 LYS HG2 H 1 1.600 0.03 . 2 . . . . 67 LYS HG2 . 16276 1 779 . 1 1 67 67 LYS HG3 H 1 1.731 0.03 . 2 . . . . 67 LYS HG3 . 16276 1 780 . 1 1 67 67 LYS C C 13 179.095 0.3 . 1 . . . . 67 LYS C . 16276 1 781 . 1 1 67 67 LYS CA C 13 60.457 0.3 . 1 . . . . 67 LYS CA . 16276 1 782 . 1 1 67 67 LYS CB C 13 33.300 0.3 . 1 . . . . 67 LYS CB . 16276 1 783 . 1 1 67 67 LYS CD C 13 30.300 0.3 . 1 . . . . 67 LYS CD . 16276 1 784 . 1 1 67 67 LYS CE C 13 42.220 0.3 . 1 . . . . 67 LYS CE . 16276 1 785 . 1 1 67 67 LYS CG C 13 25.440 0.3 . 1 . . . . 67 LYS CG . 16276 1 786 . 1 1 67 67 LYS N N 15 121.085 0.3 . 1 . . . . 67 LYS N . 16276 1 787 . 1 1 68 68 ALA H H 1 7.927 0.03 . 1 . . . . 68 ALA HN . 16276 1 788 . 1 1 68 68 ALA HA H 1 4.137 0.03 . 1 . . . . 68 ALA HA . 16276 1 789 . 1 1 68 68 ALA HB1 H 1 1.485 0.03 . 1 . . . . 68 ALA QB . 16276 1 790 . 1 1 68 68 ALA HB2 H 1 1.485 0.03 . 1 . . . . 68 ALA QB . 16276 1 791 . 1 1 68 68 ALA HB3 H 1 1.485 0.03 . 1 . . . . 68 ALA QB . 16276 1 792 . 1 1 68 68 ALA C C 13 181.586 0.3 . 1 . . . . 68 ALA C . 16276 1 793 . 1 1 68 68 ALA CA C 13 55.237 0.3 . 1 . . . . 68 ALA CA . 16276 1 794 . 1 1 68 68 ALA CB C 13 17.630 0.3 . 1 . . . . 68 ALA CB . 16276 1 795 . 1 1 68 68 ALA N N 15 122.357 0.3 . 1 . . . . 68 ALA N . 16276 1 796 . 1 1 69 69 PHE H H 1 9.020 0.03 . 1 . . . . 69 PHE HN . 16276 1 797 . 1 1 69 69 PHE HA H 1 4.650 0.03 . 1 . . . . 69 PHE HA . 16276 1 798 . 1 1 69 69 PHE HB2 H 1 2.957 0.03 . 2 . . . . 69 PHE HB2 . 16276 1 799 . 1 1 69 69 PHE HB3 H 1 3.282 0.03 . 2 . . . . 69 PHE HB3 . 16276 1 800 . 1 1 69 69 PHE HD1 H 1 7.053 0.03 . 3 . . . . 69 PHE QD . 16276 1 801 . 1 1 69 69 PHE HD2 H 1 7.053 0.03 . 3 . . . . 69 PHE QD . 16276 1 802 . 1 1 69 69 PHE HE1 H 1 7.159 0.03 . 3 . . . . 69 PHE QE . 16276 1 803 . 1 1 69 69 PHE HE2 H 1 7.159 0.03 . 3 . . . . 69 PHE QE . 16276 1 804 . 1 1 69 69 PHE C C 13 176.484 0.3 . 1 . . . . 69 PHE C . 16276 1 805 . 1 1 69 69 PHE CA C 13 59.160 0.3 . 1 . . . . 69 PHE CA . 16276 1 806 . 1 1 69 69 PHE CB C 13 37.970 0.3 . 1 . . . . 69 PHE CB . 16276 1 807 . 1 1 69 69 PHE CD1 C 13 131.592 0.3 . 4 . . . . 69 PHE CD1 . 16276 1 808 . 1 1 69 69 PHE CE1 C 13 131.590 0.3 . 4 . . . . 69 PHE CE1 . 16276 1 809 . 1 1 69 69 PHE N N 15 119.990 0.3 . 1 . . . . 69 PHE N . 16276 1 810 . 1 1 70 70 GLY H H 1 8.589 0.03 . 1 . . . . 70 GLY HN . 16276 1 811 . 1 1 70 70 GLY HA2 H 1 3.829 0.03 . 2 . . . . 70 GLY HA1 . 16276 1 812 . 1 1 70 70 GLY HA3 H 1 2.872 0.03 . 2 . . . . 70 GLY HA2 . 16276 1 813 . 1 1 70 70 GLY C C 13 173.705 0.3 . 1 . . . . 70 GLY C . 16276 1 814 . 1 1 70 70 GLY CA C 13 48.396 0.3 . 1 . . . . 70 GLY CA . 16276 1 815 . 1 1 70 70 GLY N N 15 107.207 0.3 . 1 . . . . 70 GLY N . 16276 1 816 . 1 1 71 71 GLN H H 1 7.550 0.03 . 1 . . . . 71 GLN HN . 16276 1 817 . 1 1 71 71 GLN HA H 1 3.734 0.03 . 1 . . . . 71 GLN HA . 16276 1 818 . 1 1 71 71 GLN HB2 H 1 2.050 0.03 . 2 . . . . 71 GLN HB2 . 16276 1 819 . 1 1 71 71 GLN HB3 H 1 2.153 0.03 . 2 . . . . 71 GLN HB3 . 16276 1 820 . 1 1 71 71 GLN HG2 H 1 2.230 0.03 . 2 . . . . 71 GLN HG2 . 16276 1 821 . 1 1 71 71 GLN HG3 H 1 2.429 0.03 . 2 . . . . 71 GLN HG3 . 16276 1 822 . 1 1 71 71 GLN C C 13 178.42 0.3 . 1 . . . . 71 GLN C . 16276 1 823 . 1 1 71 71 GLN CA C 13 60.110 0.3 . 1 . . . . 71 GLN CA . 16276 1 824 . 1 1 71 71 GLN CB C 13 28.370 0.3 . 1 . . . . 71 GLN CB . 16276 1 825 . 1 1 71 71 GLN CG C 13 34.207 0.3 . 1 . . . . 71 GLN CG . 16276 1 826 . 1 1 71 71 GLN N N 15 120.491 0.3 . 1 . . . . 71 GLN N . 16276 1 827 . 1 1 72 72 PHE H H 1 7.641 0.03 . 1 . . . . 72 PHE HN . 16276 1 828 . 1 1 72 72 PHE HA H 1 3.907 0.03 . 1 . . . . 72 PHE HA . 16276 1 829 . 1 1 72 72 PHE HB2 H 1 3.073 0.03 . 2 . . . . 72 PHE QB . 16276 1 830 . 1 1 72 72 PHE HB3 H 1 3.073 0.03 . 2 . . . . 72 PHE QB . 16276 1 831 . 1 1 72 72 PHE HD1 H 1 7.081 0.03 . 3 . . . . 72 PHE QD . 16276 1 832 . 1 1 72 72 PHE HD2 H 1 7.081 0.03 . 3 . . . . 72 PHE QD . 16276 1 833 . 1 1 72 72 PHE HE1 H 1 7.150 0.03 . 3 . . . . 72 PHE QE . 16276 1 834 . 1 1 72 72 PHE HE2 H 1 7.150 0.03 . 3 . . . . 72 PHE QE . 16276 1 835 . 1 1 72 72 PHE HZ H 1 7.520 0.03 . 1 . . . . 72 PHE HZ . 16276 1 836 . 1 1 72 72 PHE C C 13 178.398 0.3 . 1 . . . . 72 PHE C . 16276 1 837 . 1 1 72 72 PHE CA C 13 61.240 0.3 . 1 . . . . 72 PHE CA . 16276 1 838 . 1 1 72 72 PHE CB C 13 40.276 0.3 . 1 . . . . 72 PHE CB . 16276 1 839 . 1 1 72 72 PHE CD1 C 13 132.010 0.3 . 4 . . . . 72 PHE CD1 . 16276 1 840 . 1 1 72 72 PHE N N 15 121.898 0.3 . 1 . . . . 72 PHE N . 16276 1 841 . 1 1 73 73 LEU H H 1 9.141 0.03 . 1 . . . . 73 LEU HN . 16276 1 842 . 1 1 73 73 LEU HA H 1 3.400 0.03 . 1 . . . . 73 LEU HA . 16276 1 843 . 1 1 73 73 LEU HB2 H 1 -0.050 0.03 . 2 . . . . 73 LEU QB . 16276 1 844 . 1 1 73 73 LEU HB3 H 1 -0.050 0.03 . 2 . . . . 73 LEU QB . 16276 1 845 . 1 1 73 73 LEU HD11 H 1 -0.260 0.03 . 2 . . . . 73 LEU QD1 . 16276 1 846 . 1 1 73 73 LEU HD12 H 1 -0.260 0.03 . 2 . . . . 73 LEU QD1 . 16276 1 847 . 1 1 73 73 LEU HD13 H 1 -0.260 0.03 . 2 . . . . 73 LEU QD1 . 16276 1 848 . 1 1 73 73 LEU HD21 H 1 -1.150 0.03 . 2 . . . . 73 LEU QD2 . 16276 1 849 . 1 1 73 73 LEU HD22 H 1 -1.150 0.03 . 2 . . . . 73 LEU QD2 . 16276 1 850 . 1 1 73 73 LEU HD23 H 1 -1.150 0.03 . 2 . . . . 73 LEU QD2 . 16276 1 851 . 1 1 73 73 LEU HG H 1 -0.420 0.03 . 1 . . . . 73 LEU HG . 16276 1 852 . 1 1 73 73 LEU C C 13 177.147 0.3 . 1 . . . . 73 LEU C . 16276 1 853 . 1 1 73 73 LEU CA C 13 56.740 0.3 . 1 . . . . 73 LEU CA . 16276 1 854 . 1 1 73 73 LEU CB C 13 40.298 0.3 . 1 . . . . 73 LEU CB . 16276 1 855 . 1 1 73 73 LEU CD1 C 13 22.260 0.3 . 2 . . . . 73 LEU CD1 . 16276 1 856 . 1 1 73 73 LEU CD2 C 13 23.670 0.3 . 2 . . . . 73 LEU CD2 . 16276 1 857 . 1 1 73 73 LEU CG C 13 25.280 0.3 . 1 . . . . 73 LEU CG . 16276 1 858 . 1 1 73 73 LEU N N 15 121.533 0.3 . 1 . . . . 73 LEU N . 16276 1 859 . 1 1 74 74 PHE H H 1 7.374 0.03 . 1 . . . . 74 PHE HN . 16276 1 860 . 1 1 74 74 PHE HA H 1 4.535 0.03 . 1 . . . . 74 PHE HA . 16276 1 861 . 1 1 74 74 PHE HB2 H 1 2.750 0.03 . 2 . . . . 74 PHE HB2 . 16276 1 862 . 1 1 74 74 PHE HB3 H 1 2.829 0.03 . 2 . . . . 74 PHE HB3 . 16276 1 863 . 1 1 74 74 PHE HD1 H 1 7.004 0.03 . 3 . . . . 74 PHE QD . 16276 1 864 . 1 1 74 74 PHE HD2 H 1 7.004 0.03 . 3 . . . . 74 PHE QD . 16276 1 865 . 1 1 74 74 PHE HE1 H 1 7.090 0.03 . 3 . . . . 74 PHE QE . 16276 1 866 . 1 1 74 74 PHE HE2 H 1 7.090 0.03 . 3 . . . . 74 PHE QE . 16276 1 867 . 1 1 74 74 PHE HZ H 1 7.411 0.03 . 1 . . . . 74 PHE HZ . 16276 1 868 . 1 1 74 74 PHE C C 13 176.018 0.3 . 1 . . . . 74 PHE C . 16276 1 869 . 1 1 74 74 PHE CA C 13 63.670 0.3 . 1 . . . . 74 PHE CA . 16276 1 870 . 1 1 74 74 PHE CB C 13 39.159 0.3 . 1 . . . . 74 PHE CB . 16276 1 871 . 1 1 74 74 PHE CD1 C 13 132.285 0.3 . 4 . . . . 74 PHE CD1 . 16276 1 872 . 1 1 74 74 PHE CE1 C 13 132.285 0.3 . 4 . . . . 74 PHE CE1 . 16276 1 873 . 1 1 74 74 PHE CZ C 13 131.650 0.3 . 1 . . . . 74 PHE CZ . 16276 1 874 . 1 1 74 74 PHE N N 15 118.260 0.3 . 1 . . . . 74 PHE N . 16276 1 875 . 1 1 75 75 ASN H H 1 6.965 0.03 . 1 . . . . 75 ASN HN . 16276 1 876 . 1 1 75 75 ASN HA H 1 4.200 0.03 . 1 . . . . 75 ASN HA . 16276 1 877 . 1 1 75 75 ASN HB2 H 1 2.583 0.03 . 2 . . . . 75 ASN HB2 . 16276 1 878 . 1 1 75 75 ASN HB3 H 1 2.672 0.03 . 2 . . . . 75 ASN HB3 . 16276 1 879 . 1 1 75 75 ASN HD21 H 1 6.923 0.03 . 4 . . . . 75 ASN HD21 . 16276 1 880 . 1 1 75 75 ASN HD22 H 1 7.486 0.03 . 4 . . . . 75 ASN HD22 . 16276 1 881 . 1 1 75 75 ASN C C 13 178.323 0.3 . 1 . . . . 75 ASN C . 16276 1 882 . 1 1 75 75 ASN CA C 13 56.180 0.3 . 1 . . . . 75 ASN CA . 16276 1 883 . 1 1 75 75 ASN CB C 13 38.418 0.3 . 1 . . . . 75 ASN CB . 16276 1 884 . 1 1 75 75 ASN N N 15 114.638 0.3 . 1 . . . . 75 ASN N . 16276 1 885 . 1 1 75 75 ASN ND2 N 15 113.301 0.3 . 1 . . . . 75 ASN ND2 . 16276 1 886 . 1 1 76 76 GLY H H 1 8.066 0.03 . 1 . . . . 76 GLY HN . 16276 1 887 . 1 1 76 76 GLY HA2 H 1 3.613 0.03 . 2 . . . . 76 GLY HA1 . 16276 1 888 . 1 1 76 76 GLY HA3 H 1 3.263 0.03 . 2 . . . . 76 GLY HA2 . 16276 1 889 . 1 1 76 76 GLY C C 13 176.436 0.3 . 1 . . . . 76 GLY C . 16276 1 890 . 1 1 76 76 GLY CA C 13 47.133 0.3 . 1 . . . . 76 GLY CA . 16276 1 891 . 1 1 76 76 GLY N N 15 108.281 0.3 . 1 . . . . 76 GLY N . 16276 1 892 . 1 1 77 77 LEU H H 1 8.189 0.03 . 1 . . . . 77 LEU HN . 16276 1 893 . 1 1 77 77 LEU HA H 1 3.927 0.03 . 1 . . . . 77 LEU HA . 16276 1 894 . 1 1 77 77 LEU HB2 H 1 0.893 0.03 . 2 . . . . 77 LEU QB . 16276 1 895 . 1 1 77 77 LEU HB3 H 1 0.893 0.03 . 2 . . . . 77 LEU QB . 16276 1 896 . 1 1 77 77 LEU HD11 H 1 -2.240 0.03 . 2 . . . . 77 LEU QD1 . 16276 1 897 . 1 1 77 77 LEU HD12 H 1 -2.240 0.03 . 2 . . . . 77 LEU QD1 . 16276 1 898 . 1 1 77 77 LEU HD13 H 1 -2.240 0.03 . 2 . . . . 77 LEU QD1 . 16276 1 899 . 1 1 77 77 LEU HD21 H 1 0.324 0.03 . 2 . . . . 77 LEU QD2 . 16276 1 900 . 1 1 77 77 LEU HD22 H 1 0.324 0.03 . 2 . . . . 77 LEU QD2 . 16276 1 901 . 1 1 77 77 LEU HD23 H 1 0.324 0.03 . 2 . . . . 77 LEU QD2 . 16276 1 902 . 1 1 77 77 LEU HG H 1 0.653 0.03 . 1 . . . . 77 LEU HG . 16276 1 903 . 1 1 77 77 LEU C C 13 179.052 0.3 . 1 . . . . 77 LEU C . 16276 1 904 . 1 1 77 77 LEU CA C 13 57.630 0.3 . 1 . . . . 77 LEU CA . 16276 1 905 . 1 1 77 77 LEU CB C 13 40.729 0.3 . 1 . . . . 77 LEU CB . 16276 1 906 . 1 1 77 77 LEU CD1 C 13 23.930 0.3 . 2 . . . . 77 LEU CD1 . 16276 1 907 . 1 1 77 77 LEU CD2 C 13 21.670 0.3 . 2 . . . . 77 LEU CD2 . 16276 1 908 . 1 1 77 77 LEU CG C 13 25.860 0.3 . 1 . . . . 77 LEU CG . 16276 1 909 . 1 1 77 77 LEU N N 15 122.822 0.3 . 1 . . . . 77 LEU N . 16276 1 910 . 1 1 78 78 ALA H H 1 8.431 0.03 . 1 . . . . 78 ALA HN . 16276 1 911 . 1 1 78 78 ALA HA H 1 3.777 0.03 . 1 . . . . 78 ALA HA . 16276 1 912 . 1 1 78 78 ALA HB1 H 1 1.018 0.03 . 1 . . . . 78 ALA QB . 16276 1 913 . 1 1 78 78 ALA HB2 H 1 1.018 0.03 . 1 . . . . 78 ALA QB . 16276 1 914 . 1 1 78 78 ALA HB3 H 1 1.018 0.03 . 1 . . . . 78 ALA QB . 16276 1 915 . 1 1 78 78 ALA C C 13 179.306 0.3 . 1 . . . . 78 ALA C . 16276 1 916 . 1 1 78 78 ALA CA C 13 55.264 0.3 . 1 . . . . 78 ALA CA . 16276 1 917 . 1 1 78 78 ALA CB C 13 17.750 0.3 . 1 . . . . 78 ALA CB . 16276 1 918 . 1 1 78 78 ALA N N 15 121.690 0.3 . 1 . . . . 78 ALA N . 16276 1 919 . 1 1 79 79 SER H H 1 7.639 0.03 . 1 . . . . 79 SER HN . 16276 1 920 . 1 1 79 79 SER HA H 1 4.202 0.03 . 1 . . . . 79 SER HA . 16276 1 921 . 1 1 79 79 SER HB2 H 1 3.888 0.03 . 2 . . . . 79 SER QB . 16276 1 922 . 1 1 79 79 SER HB3 H 1 3.888 0.03 . 2 . . . . 79 SER QB . 16276 1 923 . 1 1 79 79 SER C C 13 175.744 0.3 . 1 . . . . 79 SER C . 16276 1 924 . 1 1 79 79 SER CA C 13 60.856 0.3 . 1 . . . . 79 SER CA . 16276 1 925 . 1 1 79 79 SER CB C 13 63.449 0.3 . 1 . . . . 79 SER CB . 16276 1 926 . 1 1 79 79 SER N N 15 109.130 0.3 . 1 . . . . 79 SER N . 16276 1 927 . 1 1 80 80 ARG H H 1 7.002 0.03 . 1 . . . . 80 ARG HN . 16276 1 928 . 1 1 80 80 ARG HA H 1 4.211 0.03 . 1 . . . . 80 ARG HA . 16276 1 929 . 1 1 80 80 ARG HB2 H 1 1.438 0.03 . 2 . . . . 80 ARG HB2 . 16276 1 930 . 1 1 80 80 ARG HB3 H 1 1.541 0.03 . 2 . . . . 80 ARG HB3 . 16276 1 931 . 1 1 80 80 ARG HD2 H 1 2.904 0.03 . 2 . . . . 80 ARG QD . 16276 1 932 . 1 1 80 80 ARG HD3 H 1 2.904 0.03 . 2 . . . . 80 ARG QD . 16276 1 933 . 1 1 80 80 ARG HG2 H 1 1.459 0.03 . 2 . . . . 80 ARG QG . 16276 1 934 . 1 1 80 80 ARG HG3 H 1 1.459 0.03 . 2 . . . . 80 ARG QG . 16276 1 935 . 1 1 80 80 ARG C C 13 176.479 0.3 . 1 . . . . 80 ARG C . 16276 1 936 . 1 1 80 80 ARG CA C 13 57.430 0.3 . 1 . . . . 80 ARG CA . 16276 1 937 . 1 1 80 80 ARG CB C 13 31.725 0.3 . 1 . . . . 80 ARG CB . 16276 1 938 . 1 1 80 80 ARG CD C 13 43.584 0.3 . 1 . . . . 80 ARG CD . 16276 1 939 . 1 1 80 80 ARG CG C 13 28.630 0.3 . 1 . . . . 80 ARG CG . 16276 1 940 . 1 1 80 80 ARG N N 15 120.079 0.3 . 1 . . . . 80 ARG N . 16276 1 941 . 1 1 81 81 HIS H H 1 8.295 0.03 . 1 . . . . 81 HIS HN . 16276 1 942 . 1 1 81 81 HIS HA H 1 5.304 0.03 . 1 . . . . 81 HIS HA . 16276 1 943 . 1 1 81 81 HIS HB2 H 1 3.517 0.03 . 2 . . . . 81 HIS HB2 . 16276 1 944 . 1 1 81 81 HIS HB3 H 1 3.379 0.03 . 2 . . . . 81 HIS HB3 . 16276 1 945 . 1 1 81 81 HIS HD2 H 1 5.702 0.03 . 1 . . . . 81 HIS HD2 . 16276 1 946 . 1 1 81 81 HIS C C 13 176.308 0.3 . 1 . . . . 81 HIS C . 16276 1 947 . 1 1 81 81 HIS CA C 13 54.111 0.3 . 1 . . . . 81 HIS CA . 16276 1 948 . 1 1 81 81 HIS CB C 13 28.670 0.3 . 1 . . . . 81 HIS CB . 16276 1 949 . 1 1 81 81 HIS N N 15 120.057 0.3 . 1 . . . . 81 HIS N . 16276 1 950 . 1 1 82 82 THR H H 1 7.986 0.03 . 1 . . . . 82 THR HN . 16276 1 951 . 1 1 82 82 THR HA H 1 4.176 0.03 . 1 . . . . 82 THR HA . 16276 1 952 . 1 1 82 82 THR HB H 1 4.226 0.03 . 1 . . . . 82 THR HB . 16276 1 953 . 1 1 82 82 THR HG21 H 1 1.431 0.03 . 1 . . . . 82 THR QG2 . 16276 1 954 . 1 1 82 82 THR HG22 H 1 1.431 0.03 . 1 . . . . 82 THR QG2 . 16276 1 955 . 1 1 82 82 THR HG23 H 1 1.431 0.03 . 1 . . . . 82 THR QG2 . 16276 1 956 . 1 1 82 82 THR C C 13 175.478 0.3 . 1 . . . . 82 THR C . 16276 1 957 . 1 1 82 82 THR CA C 13 66.100 0.3 . 1 . . . . 82 THR CA . 16276 1 958 . 1 1 82 82 THR CB C 13 69.180 0.3 . 1 . . . . 82 THR CB . 16276 1 959 . 1 1 82 82 THR CG2 C 13 22.530 0.3 . 1 . . . . 82 THR CG2 . 16276 1 960 . 1 1 82 82 THR N N 15 117.517 0.3 . 1 . . . . 82 THR N . 16276 1 961 . 1 1 83 83 ASP H H 1 8.936 0.03 . 1 . . . . 83 ASP HN . 16276 1 962 . 1 1 83 83 ASP HA H 1 4.474 0.03 . 1 . . . . 83 ASP HA . 16276 1 963 . 1 1 83 83 ASP HB2 H 1 2.711 0.03 . 2 . . . . 83 ASP HB2 . 16276 1 964 . 1 1 83 83 ASP HB3 H 1 2.825 0.03 . 2 . . . . 83 ASP HB3 . 16276 1 965 . 1 1 83 83 ASP C C 13 177.762 0.3 . 1 . . . . 83 ASP C . 16276 1 966 . 1 1 83 83 ASP CA C 13 55.990 0.3 . 1 . . . . 83 ASP CA . 16276 1 967 . 1 1 83 83 ASP CB C 13 39.802 0.3 . 1 . . . . 83 ASP CB . 16276 1 968 . 1 1 83 83 ASP N N 15 117.024 0.3 . 1 . . . . 83 ASP N . 16276 1 969 . 1 1 84 84 VAL H H 1 7.747 0.03 . 1 . . . . 84 VAL HN . 16276 1 970 . 1 1 84 84 VAL HA H 1 3.901 0.03 . 1 . . . . 84 VAL HA . 16276 1 971 . 1 1 84 84 VAL HB H 1 2.579 0.03 . 1 . . . . 84 VAL HB . 16276 1 972 . 1 1 84 84 VAL HG11 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 973 . 1 1 84 84 VAL HG12 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 974 . 1 1 84 84 VAL HG13 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 975 . 1 1 84 84 VAL HG21 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 976 . 1 1 84 84 VAL HG22 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 977 . 1 1 84 84 VAL HG23 H 1 1.248 0.03 . 2 . . . . 84 VAL QQG . 16276 1 978 . 1 1 84 84 VAL C C 13 177.036 0.3 . 1 . . . . 84 VAL C . 16276 1 979 . 1 1 84 84 VAL CA C 13 65.460 0.3 . 1 . . . . 84 VAL CA . 16276 1 980 . 1 1 84 84 VAL CB C 13 32.572 0.3 . 1 . . . . 84 VAL CB . 16276 1 981 . 1 1 84 84 VAL CG1 C 13 22.870 0.3 . 2 . . . . 84 VAL CG1 . 16276 1 982 . 1 1 84 84 VAL CG2 C 13 22.870 0.3 . 2 . . . . 84 VAL CG2 . 16276 1 983 . 1 1 84 84 VAL N N 15 118.657 0.3 . 1 . . . . 84 VAL N . 16276 1 984 . 1 1 85 85 VAL H H 1 7.231 0.03 . 1 . . . . 85 VAL HN . 16276 1 985 . 1 1 85 85 VAL HA H 1 4.270 0.03 . 1 . . . . 85 VAL HA . 16276 1 986 . 1 1 85 85 VAL HB H 1 2.332 0.03 . 1 . . . . 85 VAL HB . 16276 1 987 . 1 1 85 85 VAL HG11 H 1 1.189 0.03 . 2 . . . . 85 VAL QG1 . 16276 1 988 . 1 1 85 85 VAL HG12 H 1 1.189 0.03 . 2 . . . . 85 VAL QG1 . 16276 1 989 . 1 1 85 85 VAL HG13 H 1 1.189 0.03 . 2 . . . . 85 VAL QG1 . 16276 1 990 . 1 1 85 85 VAL HG21 H 1 1.134 0.03 . 2 . . . . 85 VAL QG2 . 16276 1 991 . 1 1 85 85 VAL HG22 H 1 1.134 0.03 . 2 . . . . 85 VAL QG2 . 16276 1 992 . 1 1 85 85 VAL HG23 H 1 1.134 0.03 . 2 . . . . 85 VAL QG2 . 16276 1 993 . 1 1 85 85 VAL C C 13 177.762 0.3 . 1 . . . . 85 VAL C . 16276 1 994 . 1 1 85 85 VAL CA C 13 66.575 0.3 . 1 . . . . 85 VAL CA . 16276 1 995 . 1 1 85 85 VAL CB C 13 32.285 0.3 . 1 . . . . 85 VAL CB . 16276 1 996 . 1 1 85 85 VAL CG1 C 13 22.270 0.3 . 2 . . . . 85 VAL CG1 . 16276 1 997 . 1 1 85 85 VAL CG2 C 13 22.120 0.3 . 2 . . . . 85 VAL CG2 . 16276 1 998 . 1 1 85 85 VAL N N 15 114.299 0.3 . 1 . . . . 85 VAL N . 16276 1 999 . 1 1 86 86 ASP H H 1 8.672 0.03 . 1 . . . . 86 ASP HN . 16276 1 1000 . 1 1 86 86 ASP HA H 1 4.864 0.03 . 1 . . . . 86 ASP HA . 16276 1 1001 . 1 1 86 86 ASP HB2 H 1 2.871 0.03 . 2 . . . . 86 ASP QB . 16276 1 1002 . 1 1 86 86 ASP HB3 H 1 2.871 0.03 . 2 . . . . 86 ASP QB . 16276 1 1003 . 1 1 86 86 ASP C C 13 176.995 0.3 . 1 . . . . 86 ASP C . 16276 1 1004 . 1 1 86 86 ASP CA C 13 56.050 0.3 . 1 . . . . 86 ASP CA . 16276 1 1005 . 1 1 86 86 ASP CB C 13 40.496 0.3 . 1 . . . . 86 ASP CB . 16276 1 1006 . 1 1 86 86 ASP N N 15 118.538 0.3 . 1 . . . . 86 ASP N . 16276 1 1007 . 1 1 87 87 LYS H H 1 7.099 0.03 . 1 . . . . 87 LYS HN . 16276 1 1008 . 1 1 87 87 LYS HA H 1 4.037 0.03 . 1 . . . . 87 LYS HA . 16276 1 1009 . 1 1 87 87 LYS HB2 H 1 1.409 0.03 . 2 . . . . 87 LYS QB . 16276 1 1010 . 1 1 87 87 LYS HB3 H 1 1.409 0.03 . 2 . . . . 87 LYS QB . 16276 1 1011 . 1 1 87 87 LYS HD2 H 1 1.559 0.03 . 2 . . . . 87 LYS QD . 16276 1 1012 . 1 1 87 87 LYS HD3 H 1 1.559 0.03 . 2 . . . . 87 LYS QD . 16276 1 1013 . 1 1 87 87 LYS HE2 H 1 2.960 0.03 . 2 . . . . 87 LYS QE . 16276 1 1014 . 1 1 87 87 LYS HE3 H 1 2.960 0.03 . 2 . . . . 87 LYS QE . 16276 1 1015 . 1 1 87 87 LYS HG2 H 1 1.321 0.03 . 2 . . . . 87 LYS HG2 . 16276 1 1016 . 1 1 87 87 LYS HG3 H 1 1.435 0.03 . 2 . . . . 87 LYS HG3 . 16276 1 1017 . 1 1 87 87 LYS C C 13 175.989 0.3 . 1 . . . . 87 LYS C . 16276 1 1018 . 1 1 87 87 LYS CA C 13 57.400 0.3 . 1 . . . . 87 LYS CA . 16276 1 1019 . 1 1 87 87 LYS CB C 13 32.168 0.3 . 1 . . . . 87 LYS CB . 16276 1 1020 . 1 1 87 87 LYS CD C 13 29.430 0.3 . 1 . . . . 87 LYS CD . 16276 1 1021 . 1 1 87 87 LYS CE C 13 42.162 0.3 . 1 . . . . 87 LYS CE . 16276 1 1022 . 1 1 87 87 LYS CG C 13 24.980 0.3 . 1 . . . . 87 LYS CG . 16276 1 1023 . 1 1 87 87 LYS N N 15 116.579 0.3 . 1 . . . . 87 LYS N . 16276 1 1024 . 1 1 88 88 PHE H H 1 7.771 0.03 . 1 . . . . 88 PHE HN . 16276 1 1025 . 1 1 88 88 PHE HA H 1 4.841 0.03 . 1 . . . . 88 PHE HA . 16276 1 1026 . 1 1 88 88 PHE HB2 H 1 3.300 0.03 . 2 . . . . 88 PHE QB . 16276 1 1027 . 1 1 88 88 PHE HB3 H 1 3.300 0.03 . 2 . . . . 88 PHE QB . 16276 1 1028 . 1 1 88 88 PHE HD1 H 1 7.473 0.03 . 3 . . . . 88 PHE QD . 16276 1 1029 . 1 1 88 88 PHE HD2 H 1 7.473 0.03 . 3 . . . . 88 PHE QD . 16276 1 1030 . 1 1 88 88 PHE HE1 H 1 7.563 0.03 . 3 . . . . 88 PHE QE . 16276 1 1031 . 1 1 88 88 PHE HE2 H 1 7.563 0.03 . 3 . . . . 88 PHE QE . 16276 1 1032 . 1 1 88 88 PHE HZ H 1 7.050 0.03 . 1 . . . . 88 PHE HZ . 16276 1 1033 . 1 1 88 88 PHE C C 13 175.222 0.3 . 1 . . . . 88 PHE C . 16276 1 1034 . 1 1 88 88 PHE CA C 13 57.730 0.3 . 1 . . . . 88 PHE CA . 16276 1 1035 . 1 1 88 88 PHE CB C 13 41.950 0.3 . 1 . . . . 88 PHE CB . 16276 1 1036 . 1 1 88 88 PHE CD1 C 13 132.810 0.3 . 4 . . . . 88 PHE CD1 . 16276 1 1037 . 1 1 88 88 PHE CE1 C 13 132.810 0.3 . 4 . . . . 88 PHE CE1 . 16276 1 1038 . 1 1 88 88 PHE N N 15 117.353 0.3 . 1 . . . . 88 PHE N . 16276 1 1039 . 1 1 89 89 ASP H H 1 9.162 0.03 . 1 . . . . 89 ASP HN . 16276 1 1040 . 1 1 89 89 ASP HA H 1 5.011 0.03 . 1 . . . . 89 ASP HA . 16276 1 1041 . 1 1 89 89 ASP HB2 H 1 2.886 0.03 . 2 . . . . 89 ASP HB2 . 16276 1 1042 . 1 1 89 89 ASP HB3 H 1 2.728 0.03 . 2 . . . . 89 ASP HB3 . 16276 1 1043 . 1 1 89 89 ASP C C 13 175.653 0.3 . 1 . . . . 89 ASP C . 16276 1 1044 . 1 1 89 89 ASP CA C 13 54.880 0.3 . 1 . . . . 89 ASP CA . 16276 1 1045 . 1 1 89 89 ASP CB C 13 42.640 0.3 . 1 . . . . 89 ASP CB . 16276 1 1046 . 1 1 89 89 ASP N N 15 120.050 0.3 . 1 . . . . 89 ASP N . 16276 1 1047 . 1 1 90 90 ASP H H 1 7.418 0.03 . 1 . . . . 90 ASP HN . 16276 1 1048 . 1 1 90 90 ASP HA H 1 4.229 0.03 . 1 . . . . 90 ASP HA . 16276 1 1049 . 1 1 90 90 ASP HB2 H 1 2.837 0.03 . 2 . . . . 90 ASP HB2 . 16276 1 1050 . 1 1 90 90 ASP HB3 H 1 2.991 0.03 . 2 . . . . 90 ASP HB3 . 16276 1 1051 . 1 1 90 90 ASP C C 13 173.114 0.3 . 1 . . . . 90 ASP C . 16276 1 1052 . 1 1 90 90 ASP CA C 13 52.314 0.3 . 1 . . . . 90 ASP CA . 16276 1 1053 . 1 1 90 90 ASP CB C 13 43.081 0.3 . 1 . . . . 90 ASP CB . 16276 1 1054 . 1 1 90 90 ASP N N 15 114.617 0.3 . 1 . . . . 90 ASP N . 16276 1 1055 . 1 1 91 91 PHE H H 1 8.461 0.03 . 1 . . . . 91 PHE HN . 16276 1 1056 . 1 1 91 91 PHE HA H 1 3.596 0.03 . 1 . . . . 91 PHE HA . 16276 1 1057 . 1 1 91 91 PHE HB2 H 1 2.988 0.03 . 2 . . . . 91 PHE QB . 16276 1 1058 . 1 1 91 91 PHE HB3 H 1 2.988 0.03 . 2 . . . . 91 PHE QB . 16276 1 1059 . 1 1 91 91 PHE HD1 H 1 6.985 0.03 . 3 . . . . 91 PHE QD . 16276 1 1060 . 1 1 91 91 PHE HD2 H 1 6.985 0.03 . 3 . . . . 91 PHE QD . 16276 1 1061 . 1 1 91 91 PHE HE1 H 1 7.325 0.03 . 3 . . . . 91 PHE QE . 16276 1 1062 . 1 1 91 91 PHE HE2 H 1 7.325 0.03 . 3 . . . . 91 PHE QE . 16276 1 1063 . 1 1 91 91 PHE HZ H 1 7.414 0.03 . 1 . . . . 91 PHE HZ . 16276 1 1064 . 1 1 91 91 PHE C C 13 175.62 0.3 . 1 . . . . 91 PHE C . 16276 1 1065 . 1 1 91 91 PHE CA C 13 61.654 0.3 . 1 . . . . 91 PHE CA . 16276 1 1066 . 1 1 91 91 PHE CB C 13 40.155 0.3 . 1 . . . . 91 PHE CB . 16276 1 1067 . 1 1 91 91 PHE N N 15 118.886 0.3 . 1 . . . . 91 PHE N . 16276 1 1068 . 1 1 92 92 THR H H 1 8.205 0.03 . 1 . . . . 92 THR HN . 16276 1 1069 . 1 1 92 92 THR HA H 1 3.323 0.03 . 1 . . . . 92 THR HA . 16276 1 1070 . 1 1 92 92 THR HB H 1 4.085 0.03 . 1 . . . . 92 THR HB . 16276 1 1071 . 1 1 92 92 THR HG21 H 1 1.134 0.03 . 1 . . . . 92 THR QG2 . 16276 1 1072 . 1 1 92 92 THR HG22 H 1 1.134 0.03 . 1 . . . . 92 THR QG2 . 16276 1 1073 . 1 1 92 92 THR HG23 H 1 1.134 0.03 . 1 . . . . 92 THR QG2 . 16276 1 1074 . 1 1 92 92 THR C C 13 175.809 0.3 . 1 . . . . 92 THR C . 16276 1 1075 . 1 1 92 92 THR CA C 13 68.040 0.3 . 1 . . . . 92 THR CA . 16276 1 1076 . 1 1 92 92 THR CB C 13 68.080 0.3 . 1 . . . . 92 THR CB . 16276 1 1077 . 1 1 92 92 THR CG2 C 13 22.000 0.3 . 1 . . . . 92 THR CG2 . 16276 1 1078 . 1 1 92 92 THR N N 15 115.921 0.3 . 1 . . . . 92 THR N . 16276 1 1079 . 1 1 93 93 SER H H 1 8.458 0.03 . 1 . . . . 93 SER HN . 16276 1 1080 . 1 1 93 93 SER HA H 1 4.073 0.03 . 1 . . . . 93 SER HA . 16276 1 1081 . 1 1 93 93 SER HB2 H 1 3.789 0.03 . 2 . . . . 93 SER QB . 16276 1 1082 . 1 1 93 93 SER HB3 H 1 3.789 0.03 . 2 . . . . 93 SER QB . 16276 1 1083 . 1 1 93 93 SER C C 13 176.572 0.3 . 1 . . . . 93 SER C . 16276 1 1084 . 1 1 93 93 SER CA C 13 62.500 0.3 . 1 . . . . 93 SER CA . 16276 1 1085 . 1 1 93 93 SER CB C 13 62.560 0.3 . 1 . . . . 93 SER CB . 16276 1 1086 . 1 1 93 93 SER N N 15 116.024 0.3 . 1 . . . . 93 SER N . 16276 1 1087 . 1 1 94 94 LEU H H 1 7.187 0.03 . 1 . . . . 94 LEU HN . 16276 1 1088 . 1 1 94 94 LEU HA H 1 2.436 0.03 . 1 . . . . 94 LEU HA . 16276 1 1089 . 1 1 94 94 LEU HB2 H 1 1.400 0.03 . 2 . . . . 94 LEU HB2 . 16276 1 1090 . 1 1 94 94 LEU HB3 H 1 1.667 0.03 . 2 . . . . 94 LEU HB3 . 16276 1 1091 . 1 1 94 94 LEU HD11 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1092 . 1 1 94 94 LEU HD12 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1093 . 1 1 94 94 LEU HD13 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1094 . 1 1 94 94 LEU HD21 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1095 . 1 1 94 94 LEU HD22 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1096 . 1 1 94 94 LEU HD23 H 1 1.011 0.03 . 1 . . . . 94 LEU QQD . 16276 1 1097 . 1 1 94 94 LEU HG H 1 1.478 0.03 . 1 . . . . 94 LEU HG . 16276 1 1098 . 1 1 94 94 LEU C C 13 178.436 0.3 . 1 . . . . 94 LEU C . 16276 1 1099 . 1 1 94 94 LEU CA C 13 59.550 0.3 . 1 . . . . 94 LEU CA . 16276 1 1100 . 1 1 94 94 LEU CB C 13 40.724 0.3 . 1 . . . . 94 LEU CB . 16276 1 1101 . 1 1 94 94 LEU CD1 C 13 25.760 0.3 . 2 . . . . 94 LEU CD1 . 16276 1 1102 . 1 1 94 94 LEU CD2 C 13 25.760 0.3 . 1 . . . . 94 LEU CD2 . 16276 1 1103 . 1 1 94 94 LEU CG C 13 28.240 0.3 . 1 . . . . 94 LEU CG . 16276 1 1104 . 1 1 94 94 LEU N N 15 123.345 0.3 . 1 . . . . 94 LEU N . 16276 1 1105 . 1 1 95 95 VAL H H 1 7.931 0.03 . 1 . . . . 95 VAL HN . 16276 1 1106 . 1 1 95 95 VAL HA H 1 3.206 0.03 . 1 . . . . 95 VAL HA . 16276 1 1107 . 1 1 95 95 VAL HB H 1 1.680 0.03 . 1 . . . . 95 VAL HB . 16276 1 1108 . 1 1 95 95 VAL HG11 H 1 0.690 0.03 . 2 . . . . 95 VAL QG1 . 16276 1 1109 . 1 1 95 95 VAL HG12 H 1 0.690 0.03 . 2 . . . . 95 VAL QG1 . 16276 1 1110 . 1 1 95 95 VAL HG13 H 1 0.690 0.03 . 2 . . . . 95 VAL QG1 . 16276 1 1111 . 1 1 95 95 VAL HG21 H 1 0.157 0.03 . 2 . . . . 95 VAL QG2 . 16276 1 1112 . 1 1 95 95 VAL HG22 H 1 0.157 0.03 . 2 . . . . 95 VAL QG2 . 16276 1 1113 . 1 1 95 95 VAL HG23 H 1 0.157 0.03 . 2 . . . . 95 VAL QG2 . 16276 1 1114 . 1 1 95 95 VAL C C 13 179.127 0.3 . 1 . . . . 95 VAL C . 16276 1 1115 . 1 1 95 95 VAL CA C 13 65.980 0.3 . 1 . . . . 95 VAL CA . 16276 1 1116 . 1 1 95 95 VAL CB C 13 31.343 0.3 . 1 . . . . 95 VAL CB . 16276 1 1117 . 1 1 95 95 VAL CG1 C 13 23.150 0.3 . 2 . . . . 95 VAL CG1 . 16276 1 1118 . 1 1 95 95 VAL CG2 C 13 23.430 0.3 . 2 . . . . 95 VAL CG2 . 16276 1 1119 . 1 1 95 95 VAL N N 15 118.401 0.3 . 1 . . . . 95 VAL N . 16276 1 1120 . 1 1 96 96 MET H H 1 8.152 0.03 . 1 . . . . 96 MET HN . 16276 1 1121 . 1 1 96 96 MET HA H 1 4.352 0.03 . 1 . . . . 96 MET HA . 16276 1 1122 . 1 1 96 96 MET HB2 H 1 2.061 0.03 . 2 . . . . 96 MET QB . 16276 1 1123 . 1 1 96 96 MET HB3 H 1 2.061 0.03 . 2 . . . . 96 MET QB . 16276 1 1124 . 1 1 96 96 MET HG2 H 1 2.662 0.03 . 2 . . . . 96 MET QG . 16276 1 1125 . 1 1 96 96 MET HG3 H 1 2.662 0.03 . 2 . . . . 96 MET QG . 16276 1 1126 . 1 1 96 96 MET C C 13 177.953 0.3 . 1 . . . . 96 MET C . 16276 1 1127 . 1 1 96 96 MET CA C 13 55.250 0.3 . 1 . . . . 96 MET CA . 16276 1 1128 . 1 1 96 96 MET CB C 13 30.420 0.3 . 1 . . . . 96 MET CB . 16276 1 1129 . 1 1 96 96 MET CG C 13 32.927 0.3 . 1 . . . . 96 MET CG . 16276 1 1130 . 1 1 96 96 MET N N 15 115.409 0.3 . 1 . . . . 96 MET N . 16276 1 1131 . 1 1 97 97 GLY H H 1 7.738 0.03 . 1 . . . . 97 GLY HN . 16276 1 1132 . 1 1 97 97 GLY HA2 H 1 4.634 0.03 . 2 . . . . 97 GLY HA1 . 16276 1 1133 . 1 1 97 97 GLY HA3 H 1 3.484 0.03 . 2 . . . . 97 GLY HA2 . 16276 1 1134 . 1 1 97 97 GLY C C 13 175.557 0.3 . 1 . . . . 97 GLY C . 16276 1 1135 . 1 1 97 97 GLY CA C 13 44.862 0.3 . 1 . . . . 97 GLY CA . 16276 1 1136 . 1 1 97 97 GLY N N 15 108.036 0.3 . 1 . . . . 97 GLY N . 16276 1 1137 . 1 1 98 98 ILE H H 1 7.342 0.03 . 1 . . . . 98 ILE HN . 16276 1 1138 . 1 1 98 98 ILE HA H 1 2.760 0.03 . 1 . . . . 98 ILE HA . 16276 1 1139 . 1 1 98 98 ILE HB H 1 1.148 0.03 . 1 . . . . 98 ILE HB . 16276 1 1140 . 1 1 98 98 ILE HD11 H 1 1.043 0.03 . 1 . . . . 98 ILE QD1 . 16276 1 1141 . 1 1 98 98 ILE HD12 H 1 1.043 0.03 . 1 . . . . 98 ILE QD1 . 16276 1 1142 . 1 1 98 98 ILE HD13 H 1 1.043 0.03 . 1 . . . . 98 ILE QD1 . 16276 1 1143 . 1 1 98 98 ILE HG12 H 1 0.484 0.03 . 2 . . . . 98 ILE QG1 . 16276 1 1144 . 1 1 98 98 ILE HG13 H 1 0.484 0.03 . 2 . . . . 98 ILE QG1 . 16276 1 1145 . 1 1 98 98 ILE HG21 H 1 -1.097 0.03 . 1 . . . . 98 ILE QG2 . 16276 1 1146 . 1 1 98 98 ILE HG22 H 1 -1.097 0.03 . 1 . . . . 98 ILE QG2 . 16276 1 1147 . 1 1 98 98 ILE HG23 H 1 -1.097 0.03 . 1 . . . . 98 ILE QG2 . 16276 1 1148 . 1 1 98 98 ILE C C 13 175.001 0.3 . 1 . . . . 98 ILE C . 16276 1 1149 . 1 1 98 98 ILE CA C 13 65.690 0.3 . 1 . . . . 98 ILE CA . 16276 1 1150 . 1 1 98 98 ILE CB C 13 38.000 0.3 . 1 . . . . 98 ILE CB . 16276 1 1151 . 1 1 98 98 ILE CD1 C 13 16.530 0.3 . 1 . . . . 98 ILE CD1 . 16276 1 1152 . 1 1 98 98 ILE CG1 C 13 28.350 0.3 . 1 . . . . 98 ILE CG1 . 16276 1 1153 . 1 1 98 98 ILE CG2 C 13 16.410 0.3 . 1 . . . . 98 ILE CG2 . 16276 1 1154 . 1 1 98 98 ILE N N 15 123.631 0.3 . 1 . . . . 98 ILE N . 16276 1 1155 . 1 1 99 99 HIS H H 1 7.977 0.03 . 1 . . . . 99 HIS HN . 16276 1 1156 . 1 1 99 99 HIS HA H 1 3.579 0.03 . 1 . . . . 99 HIS HA . 16276 1 1157 . 1 1 99 99 HIS HB2 H 1 2.777 0.03 . 2 . . . . 99 HIS HB2 . 16276 1 1158 . 1 1 99 99 HIS HB3 H 1 2.871 0.03 . 2 . . . . 99 HIS HB3 . 16276 1 1159 . 1 1 99 99 HIS HD2 H 1 6.962 0.03 . 1 . . . . 99 HIS HD2 . 16276 1 1160 . 1 1 99 99 HIS C C 13 177.042 0.3 . 1 . . . . 99 HIS C . 16276 1 1161 . 1 1 99 99 HIS CA C 13 61.510 0.3 . 1 . . . . 99 HIS CA . 16276 1 1162 . 1 1 99 99 HIS CB C 13 32.406 0.3 . 1 . . . . 99 HIS CB . 16276 1 1163 . 1 1 99 99 HIS N N 15 116.598 0.3 . 1 . . . . 99 HIS N . 16276 1 1164 . 1 1 100 100 ASP H H 1 8.412 0.03 . 1 . . . . 100 ASP HN . 16276 1 1165 . 1 1 100 100 ASP HA H 1 4.229 0.03 . 1 . . . . 100 ASP HA . 16276 1 1166 . 1 1 100 100 ASP HB2 H 1 2.580 0.03 . 2 . . . . 100 ASP HB2 . 16276 1 1167 . 1 1 100 100 ASP HB3 H 1 2.700 0.03 . 2 . . . . 100 ASP HB3 . 16276 1 1168 . 1 1 100 100 ASP C C 13 175.286 0.3 . 1 . . . . 100 ASP C . 16276 1 1169 . 1 1 100 100 ASP CA C 13 56.240 0.3 . 1 . . . . 100 ASP CA . 16276 1 1170 . 1 1 100 100 ASP CB C 13 41.654 0.3 . 1 . . . . 100 ASP CB . 16276 1 1171 . 1 1 100 100 ASP N N 15 112.944 0.3 . 1 . . . . 100 ASP N . 16276 1 1172 . 1 1 101 101 VAL H H 1 7.450 0.03 . 1 . . . . 101 VAL HN . 16276 1 1173 . 1 1 101 101 VAL HA H 1 4.188 0.03 . 1 . . . . 101 VAL HA . 16276 1 1174 . 1 1 101 101 VAL HB H 1 2.498 0.03 . 1 . . . . 101 VAL HB . 16276 1 1175 . 1 1 101 101 VAL HG11 H 1 1.011 0.03 . 2 . . . . 101 VAL QG1 . 16276 1 1176 . 1 1 101 101 VAL HG12 H 1 1.011 0.03 . 2 . . . . 101 VAL QG1 . 16276 1 1177 . 1 1 101 101 VAL HG13 H 1 1.011 0.03 . 2 . . . . 101 VAL QG1 . 16276 1 1178 . 1 1 101 101 VAL HG21 H 1 1.000 0.03 . 2 . . . . 101 VAL QG2 . 16276 1 1179 . 1 1 101 101 VAL HG22 H 1 1.000 0.03 . 2 . . . . 101 VAL QG2 . 16276 1 1180 . 1 1 101 101 VAL HG23 H 1 1.000 0.03 . 2 . . . . 101 VAL QG2 . 16276 1 1181 . 1 1 101 101 VAL C C 13 177.013 0.3 . 1 . . . . 101 VAL C . 16276 1 1182 . 1 1 101 101 VAL CA C 13 64.480 0.3 . 1 . . . . 101 VAL CA . 16276 1 1183 . 1 1 101 101 VAL CB C 13 33.817 0.3 . 1 . . . . 101 VAL CB . 16276 1 1184 . 1 1 101 101 VAL CG1 C 13 20.890 0.3 . 2 . . . . 101 VAL CG1 . 16276 1 1185 . 1 1 101 101 VAL CG2 C 13 21.810 0.3 . 2 . . . . 101 VAL CG2 . 16276 1 1186 . 1 1 101 101 VAL N N 15 114.944 0.3 . 1 . . . . 101 VAL N . 16276 1 1187 . 1 1 102 102 ILE H H 1 7.838 0.03 . 1 . . . . 102 ILE HN . 16276 1 1188 . 1 1 102 102 ILE HA H 1 3.355 0.03 . 1 . . . . 102 ILE HA . 16276 1 1189 . 1 1 102 102 ILE HB H 1 1.334 0.03 . 1 . . . . 102 ILE HB . 16276 1 1190 . 1 1 102 102 ILE HD11 H 1 0.958 0.03 . 1 . . . . 102 ILE QD1 . 16276 1 1191 . 1 1 102 102 ILE HD12 H 1 0.958 0.03 . 1 . . . . 102 ILE QD1 . 16276 1 1192 . 1 1 102 102 ILE HD13 H 1 0.958 0.03 . 1 . . . . 102 ILE QD1 . 16276 1 1193 . 1 1 102 102 ILE HG12 H 1 1.678 0.03 . 2 . . . . 102 ILE QG1 . 16276 1 1194 . 1 1 102 102 ILE HG13 H 1 1.678 0.03 . 2 . . . . 102 ILE QG1 . 16276 1 1195 . 1 1 102 102 ILE HG21 H 1 0.115 0.03 . 1 . . . . 102 ILE QG2 . 16276 1 1196 . 1 1 102 102 ILE HG22 H 1 0.115 0.03 . 1 . . . . 102 ILE QG2 . 16276 1 1197 . 1 1 102 102 ILE HG23 H 1 0.115 0.03 . 1 . . . . 102 ILE QG2 . 16276 1 1198 . 1 1 102 102 ILE C C 13 176.792 0.3 . 1 . . . . 102 ILE C . 16276 1 1199 . 1 1 102 102 ILE CA C 13 65.980 0.3 . 1 . . . . 102 ILE CA . 16276 1 1200 . 1 1 102 102 ILE CB C 13 36.935 0.3 . 1 . . . . 102 ILE CB . 16276 1 1201 . 1 1 102 102 ILE CD1 C 13 13.300 0.3 . 1 . . . . 102 ILE CD1 . 16276 1 1202 . 1 1 102 102 ILE CG1 C 13 28.860 0.3 . 1 . . . . 102 ILE CG1 . 16276 1 1203 . 1 1 102 102 ILE CG2 C 13 16.280 0.3 . 1 . . . . 102 ILE CG2 . 16276 1 1204 . 1 1 102 102 ILE N N 15 119.782 0.3 . 1 . . . . 102 ILE N . 16276 1 1205 . 1 1 103 103 HIS H H 1 8.479 0.03 . 1 . . . . 103 HIS HN . 16276 1 1206 . 1 1 103 103 HIS HA H 1 3.062 0.03 . 1 . . . . 103 HIS HA . 16276 1 1207 . 1 1 103 103 HIS HB2 H 1 2.183 0.03 . 2 . . . . 103 HIS HB2 . 16276 1 1208 . 1 1 103 103 HIS HB3 H 1 1.820 0.03 . 2 . . . . 103 HIS HB3 . 16276 1 1209 . 1 1 103 103 HIS HD1 H 1 10.743 0.03 . 1 . . . . 103 HIS HD1 . 16276 1 1210 . 1 1 103 103 HIS C C 13 177.213 0.3 . 1 . . . . 103 HIS C . 16276 1 1211 . 1 1 103 103 HIS CA C 13 55.200 0.3 . 1 . . . . 103 HIS CA . 16276 1 1212 . 1 1 103 103 HIS CB C 13 27.370 0.3 . 1 . . . . 103 HIS CB . 16276 1 1213 . 1 1 103 103 HIS N N 15 115.901 0.3 . 1 . . . . 103 HIS N . 16276 1 1214 . 1 1 104 104 LEU H H 1 6.014 0.03 . 1 . . . . 104 LEU HN . 16276 1 1215 . 1 1 104 104 LEU HA H 1 3.781 0.03 . 1 . . . . 104 LEU HA . 16276 1 1216 . 1 1 104 104 LEU HB2 H 1 1.255 0.03 . 2 . . . . 104 LEU QB . 16276 1 1217 . 1 1 104 104 LEU HB3 H 1 1.255 0.03 . 2 . . . . 104 LEU QB . 16276 1 1218 . 1 1 104 104 LEU HD11 H 1 0.794 0.03 . 1 . . . . 104 LEU QD1 . 16276 1 1219 . 1 1 104 104 LEU HD12 H 1 0.794 0.03 . 1 . . . . 104 LEU QD1 . 16276 1 1220 . 1 1 104 104 LEU HD13 H 1 0.794 0.03 . 1 . . . . 104 LEU QD1 . 16276 1 1221 . 1 1 104 104 LEU HD21 H 1 0.813 0.03 . 1 . . . . 104 LEU QD2 . 16276 1 1222 . 1 1 104 104 LEU HD22 H 1 0.813 0.03 . 1 . . . . 104 LEU QD2 . 16276 1 1223 . 1 1 104 104 LEU HD23 H 1 0.813 0.03 . 1 . . . . 104 LEU QD2 . 16276 1 1224 . 1 1 104 104 LEU HG H 1 1.380 0.03 . 1 . . . . 104 LEU HG . 16276 1 1225 . 1 1 104 104 LEU C C 13 179.831 0.3 . 1 . . . . 104 LEU C . 16276 1 1226 . 1 1 104 104 LEU CA C 13 58.543 0.3 . 1 . . . . 104 LEU CA . 16276 1 1227 . 1 1 104 104 LEU CB C 13 41.210 0.3 . 1 . . . . 104 LEU CB . 16276 1 1228 . 1 1 104 104 LEU CD1 C 13 24.110 0.3 . 2 . . . . 104 LEU CD1 . 16276 1 1229 . 1 1 104 104 LEU CD2 C 13 24.970 0.3 . 1 . . . . 104 LEU CD2 . 16276 1 1230 . 1 1 104 104 LEU CG C 13 27.140 0.3 . 1 . . . . 104 LEU CG . 16276 1 1231 . 1 1 104 104 LEU N N 15 118.622 0.3 . 1 . . . . 104 LEU N . 16276 1 1232 . 1 1 105 105 GLU H H 1 7.454 0.03 . 1 . . . . 105 GLU HN . 16276 1 1233 . 1 1 105 105 GLU HA H 1 4.093 0.03 . 1 . . . . 105 GLU HA . 16276 1 1234 . 1 1 105 105 GLU HB2 H 1 2.210 0.03 . 2 . . . . 105 GLU HB2 . 16276 1 1235 . 1 1 105 105 GLU HB3 H 1 2.136 0.03 . 2 . . . . 105 GLU HB3 . 16276 1 1236 . 1 1 105 105 GLU HG2 H 1 2.390 0.03 . 2 . . . . 105 GLU QG . 16276 1 1237 . 1 1 105 105 GLU HG3 H 1 2.390 0.03 . 2 . . . . 105 GLU QG . 16276 1 1238 . 1 1 105 105 GLU C C 13 180.169 0.3 . 1 . . . . 105 GLU C . 16276 1 1239 . 1 1 105 105 GLU CA C 13 58.830 0.3 . 1 . . . . 105 GLU CA . 16276 1 1240 . 1 1 105 105 GLU CB C 13 28.910 0.3 . 1 . . . . 105 GLU CB . 16276 1 1241 . 1 1 105 105 GLU CG C 13 35.593 0.3 . 1 . . . . 105 GLU CG . 16276 1 1242 . 1 1 105 105 GLU N N 15 120.521 0.3 . 1 . . . . 105 GLU N . 16276 1 1243 . 1 1 106 106 VAL H H 1 7.692 0.03 . 1 . . . . 106 VAL HN . 16276 1 1244 . 1 1 106 106 VAL HA H 1 3.876 0.03 . 1 . . . . 106 VAL HA . 16276 1 1245 . 1 1 106 106 VAL HB H 1 2.279 0.03 . 1 . . . . 106 VAL HB . 16276 1 1246 . 1 1 106 106 VAL HG11 H 1 1.188 0.03 . 2 . . . . 106 VAL QG1 . 16276 1 1247 . 1 1 106 106 VAL HG12 H 1 1.188 0.03 . 2 . . . . 106 VAL QG1 . 16276 1 1248 . 1 1 106 106 VAL HG13 H 1 1.188 0.03 . 2 . . . . 106 VAL QG1 . 16276 1 1249 . 1 1 106 106 VAL HG21 H 1 1.382 0.03 . 2 . . . . 106 VAL QG2 . 16276 1 1250 . 1 1 106 106 VAL HG22 H 1 1.382 0.03 . 2 . . . . 106 VAL QG2 . 16276 1 1251 . 1 1 106 106 VAL HG23 H 1 1.382 0.03 . 2 . . . . 106 VAL QG2 . 16276 1 1252 . 1 1 106 106 VAL C C 13 176.51 0.3 . 1 . . . . 106 VAL C . 16276 1 1253 . 1 1 106 106 VAL CA C 13 66.890 0.3 . 1 . . . . 106 VAL CA . 16276 1 1254 . 1 1 106 106 VAL CB C 13 31.040 0.3 . 1 . . . . 106 VAL CB . 16276 1 1255 . 1 1 106 106 VAL CG1 C 13 22.300 0.3 . 2 . . . . 106 VAL CG1 . 16276 1 1256 . 1 1 106 106 VAL CG2 C 13 25.890 0.3 . 2 . . . . 106 VAL CG2 . 16276 1 1257 . 1 1 106 106 VAL N N 15 119.167 0.3 . 1 . . . . 106 VAL N . 16276 1 1258 . 1 1 107 107 ASN H H 1 7.463 0.03 . 1 . . . . 107 ASN HN . 16276 1 1259 . 1 1 107 107 ASN HA H 1 4.541 0.03 . 1 . . . . 107 ASN HA . 16276 1 1260 . 1 1 107 107 ASN HB2 H 1 2.740 0.03 . 2 . . . . 107 ASN HB2 . 16276 1 1261 . 1 1 107 107 ASN HB3 H 1 2.840 0.03 . 2 . . . . 107 ASN HB3 . 16276 1 1262 . 1 1 107 107 ASN C C 13 175.733 0.3 . 1 . . . . 107 ASN C . 16276 1 1263 . 1 1 107 107 ASN CA C 13 56.180 0.3 . 1 . . . . 107 ASN CA . 16276 1 1264 . 1 1 107 107 ASN CB C 13 39.290 0.3 . 1 . . . . 107 ASN CB . 16276 1 1265 . 1 1 107 107 ASN N N 15 116.723 0.3 . 1 . . . . 107 ASN N . 16276 1 1266 . 1 1 108 108 LYS H H 1 7.682 0.03 . 1 . . . . 108 LYS HN . 16276 1 1267 . 1 1 108 108 LYS HA H 1 4.342 0.03 . 1 . . . . 108 LYS HA . 16276 1 1268 . 1 1 108 108 LYS HB2 H 1 2.000 0.03 . 2 . . . . 108 LYS QB . 16276 1 1269 . 1 1 108 108 LYS HB3 H 1 2.000 0.03 . 2 . . . . 108 LYS QB . 16276 1 1270 . 1 1 108 108 LYS HD2 H 1 1.730 0.03 . 2 . . . . 108 LYS QD . 16276 1 1271 . 1 1 108 108 LYS HD3 H 1 1.730 0.03 . 2 . . . . 108 LYS QD . 16276 1 1272 . 1 1 108 108 LYS HE2 H 1 3.230 0.03 . 2 . . . . 108 LYS QE . 16276 1 1273 . 1 1 108 108 LYS HE3 H 1 3.230 0.03 . 2 . . . . 108 LYS QE . 16276 1 1274 . 1 1 108 108 LYS HG2 H 1 1.584 0.03 . 2 . . . . 108 LYS HG2 . 16276 1 1275 . 1 1 108 108 LYS HG3 H 1 1.460 0.03 . 2 . . . . 108 LYS HG3 . 16276 1 1276 . 1 1 108 108 LYS C C 13 177.863 0.3 . 1 . . . . 108 LYS C . 16276 1 1277 . 1 1 108 108 LYS CA C 13 57.920 0.3 . 1 . . . . 108 LYS CA . 16276 1 1278 . 1 1 108 108 LYS CB C 13 32.871 0.3 . 1 . . . . 108 LYS CB . 16276 1 1279 . 1 1 108 108 LYS CD C 13 29.550 0.3 . 1 . . . . 108 LYS CD . 16276 1 1280 . 1 1 108 108 LYS CE C 13 42.450 0.3 . 1 . . . . 108 LYS CE . 16276 1 1281 . 1 1 108 108 LYS CG C 13 25.330 0.3 . 1 . . . . 108 LYS CG . 16276 1 1282 . 1 1 108 108 LYS N N 15 116.519 0.3 . 1 . . . . 108 LYS N . 16276 1 1283 . 1 1 109 109 LEU H H 1 7.794 0.03 . 1 . . . . 109 LEU HN . 16276 1 1284 . 1 1 109 109 LEU HA H 1 4.226 0.03 . 1 . . . . 109 LEU HA . 16276 1 1285 . 1 1 109 109 LEU HB2 H 1 1.882 0.03 . 2 . . . . 109 LEU HB2 . 16276 1 1286 . 1 1 109 109 LEU HB3 H 1 1.358 0.03 . 2 . . . . 109 LEU HB3 . 16276 1 1287 . 1 1 109 109 LEU HD11 H 1 0.979 0.03 . 1 . . . . 109 LEU QD1 . 16276 1 1288 . 1 1 109 109 LEU HD12 H 1 0.979 0.03 . 1 . . . . 109 LEU QD1 . 16276 1 1289 . 1 1 109 109 LEU HD13 H 1 0.979 0.03 . 1 . . . . 109 LEU QD1 . 16276 1 1290 . 1 1 109 109 LEU HD21 H 1 0.883 0.03 . 1 . . . . 109 LEU QD2 . 16276 1 1291 . 1 1 109 109 LEU HD22 H 1 0.883 0.03 . 1 . . . . 109 LEU QD2 . 16276 1 1292 . 1 1 109 109 LEU HD23 H 1 0.883 0.03 . 1 . . . . 109 LEU QD2 . 16276 1 1293 . 1 1 109 109 LEU HG H 1 1.808 0.03 . 1 . . . . 109 LEU HG . 16276 1 1294 . 1 1 109 109 LEU C C 13 176.854 0.3 . 1 . . . . 109 LEU C . 16276 1 1295 . 1 1 109 109 LEU CA C 13 56.290 0.3 . 1 . . . . 109 LEU CA . 16276 1 1296 . 1 1 109 109 LEU CB C 13 45.264 0.3 . 1 . . . . 109 LEU CB . 16276 1 1297 . 1 1 109 109 LEU CD1 C 13 22.600 0.3 . 1 . . . . 109 LEU CD1 . 16276 1 1298 . 1 1 109 109 LEU CD2 C 13 25.080 0.3 . 1 . . . . 109 LEU CD2 . 16276 1 1299 . 1 1 109 109 LEU CG C 13 26.860 0.3 . 1 . . . . 109 LEU CG . 16276 1 1300 . 1 1 109 109 LEU N N 15 119.281 0.3 . 1 . . . . 109 LEU N . 16276 1 1301 . 1 1 114 114 SER HA H 1 4.645 0.03 . 1 . . . . 114 SER HA . 16276 1 1302 . 1 1 114 114 SER HB2 H 1 3.869 0.03 . 2 . . . . 114 SER QB . 16276 1 1303 . 1 1 114 114 SER HB3 H 1 3.869 0.03 . 2 . . . . 114 SER QB . 16276 1 1304 . 1 1 115 115 LEU H H 1 7.973 0.03 . 1 . . . . 115 LEU HN . 16276 1 1305 . 1 1 115 115 LEU HA H 1 4.276 0.03 . 1 . . . . 115 LEU HA . 16276 1 1306 . 1 1 115 115 LEU HB2 H 1 1.130 0.03 . 2 . . . . 115 LEU QB . 16276 1 1307 . 1 1 115 115 LEU HB3 H 1 1.130 0.03 . 2 . . . . 115 LEU QB . 16276 1 1308 . 1 1 115 115 LEU HD11 H 1 0.087 0.03 . 2 . . . . 115 LEU QD1 . 16276 1 1309 . 1 1 115 115 LEU HD12 H 1 0.087 0.03 . 2 . . . . 115 LEU QD1 . 16276 1 1310 . 1 1 115 115 LEU HD13 H 1 0.087 0.03 . 2 . . . . 115 LEU QD1 . 16276 1 1311 . 1 1 115 115 LEU HD21 H 1 -1.375 0.03 . 2 . . . . 115 LEU QD2 . 16276 1 1312 . 1 1 115 115 LEU HD22 H 1 -1.375 0.03 . 2 . . . . 115 LEU QD2 . 16276 1 1313 . 1 1 115 115 LEU HD23 H 1 -1.375 0.03 . 2 . . . . 115 LEU QD2 . 16276 1 1314 . 1 1 115 115 LEU HG H 1 0.879 0.03 . 1 . . . . 115 LEU HG . 16276 1 1315 . 1 1 115 115 LEU CA C 13 51.322 0.3 . 1 . . . . 115 LEU CA . 16276 1 1316 . 1 1 115 115 LEU CB C 13 42.941 0.3 . 1 . . . . 115 LEU CB . 16276 1 1317 . 1 1 115 115 LEU CD1 C 13 25.940 0.3 . 2 . . . . 115 LEU CD1 . 16276 1 1318 . 1 1 115 115 LEU CD2 C 13 20.910 0.3 . 2 . . . . 115 LEU CD2 . 16276 1 1319 . 1 1 115 115 LEU CG C 13 26.420 0.3 . 1 . . . . 115 LEU CG . 16276 1 1320 . 1 1 115 115 LEU N N 15 123.581 0.3 . 1 . . . . 115 LEU N . 16276 1 1321 . 1 1 117 117 HIS H H 1 8.500 0.03 . 1 . . . . 117 HIS HN . 16276 1 1322 . 1 1 117 117 HIS HA H 1 4.415 0.03 . 1 . . . . 117 HIS HA . 16276 1 1323 . 1 1 117 117 HIS HB2 H 1 2.984 0.03 . 2 . . . . 117 HIS QB . 16276 1 1324 . 1 1 117 117 HIS HB3 H 1 2.984 0.03 . 2 . . . . 117 HIS QB . 16276 1 1325 . 1 1 117 117 HIS HD2 H 1 7.568 0.03 . 1 . . . . 117 HIS HD2 . 16276 1 1326 . 1 1 117 117 HIS HE1 H 1 7.686 0.03 . 1 . . . . 117 HIS HE1 . 16276 1 1327 . 1 1 117 117 HIS C C 13 173.958 0.3 . 1 . . . . 117 HIS C . 16276 1 1328 . 1 1 117 117 HIS CA C 13 56.780 0.3 . 1 . . . . 117 HIS CA . 16276 1 1329 . 1 1 117 117 HIS CB C 13 30.762 0.3 . 1 . . . . 117 HIS CB . 16276 1 1330 . 1 1 117 117 HIS N N 15 120.887 0.3 . 1 . . . . 117 HIS N . 16276 1 1331 . 1 1 118 118 ILE H H 1 6.703 0.03 . 1 . . . . 118 ILE HN . 16276 1 1332 . 1 1 118 118 ILE HA H 1 5.093 0.03 . 1 . . . . 118 ILE HA . 16276 1 1333 . 1 1 118 118 ILE HB H 1 1.341 0.03 . 1 . . . . 118 ILE HB . 16276 1 1334 . 1 1 118 118 ILE HG21 H 1 0.798 0.03 . 1 . . . . 118 ILE QG2 . 16276 1 1335 . 1 1 118 118 ILE HG22 H 1 0.798 0.03 . 1 . . . . 118 ILE QG2 . 16276 1 1336 . 1 1 118 118 ILE HG23 H 1 0.798 0.03 . 1 . . . . 118 ILE QG2 . 16276 1 1337 . 1 1 118 118 ILE C C 13 173.781 0.3 . 1 . . . . 118 ILE C . 16276 1 1338 . 1 1 118 118 ILE CA C 13 59.430 0.3 . 1 . . . . 118 ILE CA . 16276 1 1339 . 1 1 118 118 ILE CB C 13 42.274 0.3 . 1 . . . . 118 ILE CB . 16276 1 1340 . 1 1 118 118 ILE CG2 C 13 17.530 0.3 . 1 . . . . 118 ILE CG2 . 16276 1 1341 . 1 1 118 118 ILE N N 15 126.799 0.3 . 1 . . . . 118 ILE N . 16276 1 1342 . 1 1 119 119 ASN H H 1 8.410 0.03 . 1 . . . . 119 ASN HN . 16276 1 1343 . 1 1 119 119 ASN HA H 1 4.751 0.03 . 1 . . . . 119 ASN HA . 16276 1 1344 . 1 1 119 119 ASN HB2 H 1 2.498 0.03 . 2 . . . . 119 ASN QB . 16276 1 1345 . 1 1 119 119 ASN HB3 H 1 2.498 0.03 . 2 . . . . 119 ASN QB . 16276 1 1346 . 1 1 119 119 ASN HD21 H 1 7.693 0.03 . 2 . . . . 119 ASN HD21 . 16276 1 1347 . 1 1 119 119 ASN HD22 H 1 6.763 0.03 . 2 . . . . 119 ASN HD22 . 16276 1 1348 . 1 1 119 119 ASN C C 13 173.264 0.3 . 1 . . . . 119 ASN C . 16276 1 1349 . 1 1 119 119 ASN CA C 13 53.531 0.3 . 1 . . . . 119 ASN CA . 16276 1 1350 . 1 1 119 119 ASN CB C 13 43.306 0.3 . 1 . . . . 119 ASN CB . 16276 1 1351 . 1 1 119 119 ASN N N 15 123.301 0.3 . 1 . . . . 119 ASN N . 16276 1 1352 . 1 1 119 119 ASN ND2 N 15 112.107 0.3 . 1 . . . . 119 ASN ND2 . 16276 1 1353 . 1 1 120 120 GLY H H 1 8.890 0.03 . 1 . . . . 120 GLY HN . 16276 1 1354 . 1 1 120 120 GLY HA2 H 1 3.377 0.03 . 2 . . . . 120 GLY HA1 . 16276 1 1355 . 1 1 120 120 GLY HA3 H 1 5.362 0.03 . 2 . . . . 120 GLY HA2 . 16276 1 1356 . 1 1 120 120 GLY C C 13 171.98 0.3 . 1 . . . . 120 GLY C . 16276 1 1357 . 1 1 120 120 GLY CA C 13 44.474 0.3 . 1 . . . . 120 GLY CA . 16276 1 1358 . 1 1 120 120 GLY N N 15 113.929 0.3 . 1 . . . . 120 GLY N . 16276 1 1359 . 1 1 121 121 GLN H H 1 8.630 0.03 . 1 . . . . 121 GLN HN . 16276 1 1360 . 1 1 121 121 GLN HA H 1 4.581 0.03 . 1 . . . . 121 GLN HA . 16276 1 1361 . 1 1 121 121 GLN HB2 H 1 1.960 0.03 . 2 . . . . 121 GLN HB2 . 16276 1 1362 . 1 1 121 121 GLN HB3 H 1 2.059 0.03 . 2 . . . . 121 GLN HB3 . 16276 1 1363 . 1 1 121 121 GLN HG2 H 1 2.324 0.03 . 2 . . . . 121 GLN QG . 16276 1 1364 . 1 1 121 121 GLN HG3 H 1 2.324 0.03 . 2 . . . . 121 GLN QG . 16276 1 1365 . 1 1 121 121 GLN C C 13 174.091 0.3 . 1 . . . . 121 GLN C . 16276 1 1366 . 1 1 121 121 GLN CA C 13 54.883 0.3 . 1 . . . . 121 GLN CA . 16276 1 1367 . 1 1 121 121 GLN CB C 13 32.876 0.3 . 1 . . . . 121 GLN CB . 16276 1 1368 . 1 1 121 121 GLN CG C 13 33.527 0.3 . 1 . . . . 121 GLN CG . 16276 1 1369 . 1 1 121 121 GLN N N 15 120.929 0.3 . 1 . . . . 121 GLN N . 16276 1 1370 . 1 1 122 122 LEU H H 1 8.823 0.03 . 1 . . . . 122 LEU HN . 16276 1 1371 . 1 1 122 122 LEU HA H 1 4.581 0.03 . 1 . . . . 122 LEU HA . 16276 1 1372 . 1 1 122 122 LEU HB2 H 1 1.685 0.03 . 2 . . . . 122 LEU QB . 16276 1 1373 . 1 1 122 122 LEU HB3 H 1 1.685 0.03 . 2 . . . . 122 LEU QB . 16276 1 1374 . 1 1 122 122 LEU HD11 H 1 0.914 0.03 . 2 . . . . 122 LEU QD1 . 16276 1 1375 . 1 1 122 122 LEU HD12 H 1 0.914 0.03 . 2 . . . . 122 LEU QD1 . 16276 1 1376 . 1 1 122 122 LEU HD13 H 1 0.914 0.03 . 2 . . . . 122 LEU QD1 . 16276 1 1377 . 1 1 122 122 LEU HD21 H 1 0.957 0.03 . 1 . . . . 122 LEU QD2 . 16276 1 1378 . 1 1 122 122 LEU HD22 H 1 0.957 0.03 . 1 . . . . 122 LEU QD2 . 16276 1 1379 . 1 1 122 122 LEU HD23 H 1 0.957 0.03 . 1 . . . . 122 LEU QD2 . 16276 1 1380 . 1 1 122 122 LEU HG H 1 1.760 0.03 . 1 . . . . 122 LEU HG . 16276 1 1381 . 1 1 122 122 LEU C C 13 176.678 0.3 . 1 . . . . 122 LEU C . 16276 1 1382 . 1 1 122 122 LEU CA C 13 55.460 0.3 . 1 . . . . 122 LEU CA . 16276 1 1383 . 1 1 122 122 LEU CB C 13 42.195 0.3 . 1 . . . . 122 LEU CB . 16276 1 1384 . 1 1 122 122 LEU CD1 C 13 24.670 0.3 . 2 . . . . 122 LEU CD1 . 16276 1 1385 . 1 1 122 122 LEU CD2 C 13 24.920 0.3 . 1 . . . . 122 LEU CD2 . 16276 1 1386 . 1 1 122 122 LEU CG C 13 27.380 0.3 . 1 . . . . 122 LEU CG . 16276 1 1387 . 1 1 122 122 LEU N N 15 125.997 0.3 . 1 . . . . 122 LEU N . 16276 1 1388 . 1 1 123 123 LEU H H 1 8.643 0.03 . 1 . . . . 123 LEU HN . 16276 1 1389 . 1 1 123 123 LEU HA H 1 4.839 0.03 . 1 . . . . 123 LEU HA . 16276 1 1390 . 1 1 123 123 LEU HB2 H 1 1.710 0.03 . 2 . . . . 123 LEU QB . 16276 1 1391 . 1 1 123 123 LEU HB3 H 1 1.710 0.03 . 2 . . . . 123 LEU QB . 16276 1 1392 . 1 1 123 123 LEU HD11 H 1 0.930 0.03 . 2 . . . . 123 LEU QD1 . 16276 1 1393 . 1 1 123 123 LEU HD12 H 1 0.930 0.03 . 2 . . . . 123 LEU QD1 . 16276 1 1394 . 1 1 123 123 LEU HD13 H 1 0.930 0.03 . 2 . . . . 123 LEU QD1 . 16276 1 1395 . 1 1 123 123 LEU HD21 H 1 0.894 0.03 . 2 . . . . 123 LEU QD2 . 16276 1 1396 . 1 1 123 123 LEU HD22 H 1 0.894 0.03 . 2 . . . . 123 LEU QD2 . 16276 1 1397 . 1 1 123 123 LEU HD23 H 1 0.894 0.03 . 2 . . . . 123 LEU QD2 . 16276 1 1398 . 1 1 123 123 LEU HG H 1 1.671 0.03 . 1 . . . . 123 LEU HG . 16276 1 1399 . 1 1 123 123 LEU C C 13 175.662 0.3 . 1 . . . . 123 LEU C . 16276 1 1400 . 1 1 123 123 LEU CA C 13 52.958 0.3 . 1 . . . . 123 LEU CA . 16276 1 1401 . 1 1 123 123 LEU CB C 13 42.431 0.3 . 1 . . . . 123 LEU CB . 16276 1 1402 . 1 1 123 123 LEU CD1 C 13 25.860 0.3 . 2 . . . . 123 LEU CD1 . 16276 1 1403 . 1 1 123 123 LEU CD2 C 13 22.440 0.3 . 2 . . . . 123 LEU CD2 . 16276 1 1404 . 1 1 123 123 LEU CG C 13 27.460 0.3 . 1 . . . . 123 LEU CG . 16276 1 1405 . 1 1 123 123 LEU N N 15 126.730 0.3 . 1 . . . . 123 LEU N . 16276 1 1406 . 1 1 124 124 PRO HA H 1 4.495 0.03 . 1 . . . . 124 PRO HA . 16276 1 1407 . 1 1 124 124 PRO HB2 H 1 2.448 0.03 . 2 . . . . 124 PRO HB2 . 16276 1 1408 . 1 1 124 124 PRO HB3 H 1 1.851 0.03 . 2 . . . . 124 PRO HB3 . 16276 1 1409 . 1 1 124 124 PRO HD2 H 1 3.416 0.03 . 2 . . . . 124 PRO QD . 16276 1 1410 . 1 1 124 124 PRO HD3 H 1 3.416 0.03 . 2 . . . . 124 PRO QD . 16276 1 1411 . 1 1 124 124 PRO HG2 H 1 2.056 0.03 . 2 . . . . 124 PRO QG . 16276 1 1412 . 1 1 124 124 PRO HG3 H 1 2.056 0.03 . 2 . . . . 124 PRO QG . 16276 1 1413 . 1 1 124 124 PRO C C 13 176.223 0.3 . 1 . . . . 124 PRO C . 16276 1 1414 . 1 1 124 124 PRO CA C 13 63.848 0.3 . 1 . . . . 124 PRO CA . 16276 1 1415 . 1 1 124 124 PRO CB C 13 32.305 0.3 . 1 . . . . 124 PRO CB . 16276 1 1416 . 1 1 124 124 PRO CD C 13 50.894 0.3 . 1 . . . . 124 PRO CD . 16276 1 1417 . 1 1 124 124 PRO CG C 13 28.180 0.3 . 1 . . . . 124 PRO CG . 16276 1 1418 . 1 1 125 125 ASN H H 1 8.498 0.03 . 1 . . . . 125 ASN HN . 16276 1 1419 . 1 1 125 125 ASN HA H 1 4.456 0.03 . 1 . . . . 125 ASN HA . 16276 1 1420 . 1 1 125 125 ASN HB2 H 1 2.912 0.03 . 2 . . . . 125 ASN HB2 . 16276 1 1421 . 1 1 125 125 ASN HB3 H 1 3.001 0.03 . 2 . . . . 125 ASN HB3 . 16276 1 1422 . 1 1 125 125 ASN HD21 H 1 7.573 0.03 . 2 . . . . 125 ASN HD21 . 16276 1 1423 . 1 1 125 125 ASN HD22 H 1 6.784 0.03 . 2 . . . . 125 ASN HD22 . 16276 1 1424 . 1 1 125 125 ASN C C 13 175.237 0.3 . 1 . . . . 125 ASN C . 16276 1 1425 . 1 1 125 125 ASN CA C 13 53.846 0.3 . 1 . . . . 125 ASN CA . 16276 1 1426 . 1 1 125 125 ASN CB C 13 36.853 0.3 . 1 . . . . 125 ASN CB . 16276 1 1427 . 1 1 125 125 ASN N N 15 113.941 0.3 . 1 . . . . 125 ASN N . 16276 1 1428 . 1 1 125 125 ASN ND2 N 15 112.092 0.3 . 1 . . . . 125 ASN ND2 . 16276 1 1429 . 1 1 126 126 ASN H H 1 8.750 0.03 . 1 . . . . 126 ASN HN . 16276 1 1430 . 1 1 126 126 ASN HA H 1 4.447 0.03 . 1 . . . . 126 ASN HA . 16276 1 1431 . 1 1 126 126 ASN HB2 H 1 3.224 0.03 . 2 . . . . 126 ASN HB2 . 16276 1 1432 . 1 1 126 126 ASN HB3 H 1 3.141 0.03 . 2 . . . . 126 ASN HB3 . 16276 1 1433 . 1 1 126 126 ASN HD21 H 1 7.653 0.03 . 2 . . . . 126 ASN HD21 . 16276 1 1434 . 1 1 126 126 ASN HD22 H 1 6.963 0.03 . 2 . . . . 126 ASN HD22 . 16276 1 1435 . 1 1 126 126 ASN C C 13 174.062 0.3 . 1 . . . . 126 ASN C . 16276 1 1436 . 1 1 126 126 ASN CA C 13 54.806 0.3 . 1 . . . . 126 ASN CA . 16276 1 1437 . 1 1 126 126 ASN CB C 13 37.449 0.3 . 1 . . . . 126 ASN CB . 16276 1 1438 . 1 1 126 126 ASN N N 15 112.507 0.3 . 1 . . . . 126 ASN N . 16276 1 1439 . 1 1 126 126 ASN ND2 N 15 113.639 0.3 . 1 . . . . 126 ASN ND2 . 16276 1 1440 . 1 1 127 127 GLN H H 1 6.985 0.03 . 1 . . . . 127 GLN HN . 16276 1 1441 . 1 1 127 127 GLN HA H 1 5.460 0.03 . 1 . . . . 127 GLN HA . 16276 1 1442 . 1 1 127 127 GLN HB2 H 1 2.003 0.03 . 2 . . . . 127 GLN HB2 . 16276 1 1443 . 1 1 127 127 GLN HB3 H 1 1.861 0.03 . 2 . . . . 127 GLN HB3 . 16276 1 1444 . 1 1 127 127 GLN HE21 H 1 6.637 0.03 . 4 . . . . 127 GLN HE21 . 16276 1 1445 . 1 1 127 127 GLN HE22 H 1 7.481 0.03 . 4 . . . . 127 GLN HE22 . 16276 1 1446 . 1 1 127 127 GLN HG2 H 1 2.182 0.03 . 2 . . . . 127 GLN HG2 . 16276 1 1447 . 1 1 127 127 GLN HG3 H 1 2.532 0.03 . 2 . . . . 127 GLN HG3 . 16276 1 1448 . 1 1 127 127 GLN C C 13 175.538 0.3 . 1 . . . . 127 GLN C . 16276 1 1449 . 1 1 127 127 GLN CA C 13 54.615 0.3 . 1 . . . . 127 GLN CA . 16276 1 1450 . 1 1 127 127 GLN CB C 13 32.443 0.3 . 1 . . . . 127 GLN CB . 16276 1 1451 . 1 1 127 127 GLN CG C 13 34.634 0.3 . 1 . . . . 127 GLN CG . 16276 1 1452 . 1 1 127 127 GLN N N 15 114.643 0.3 . 1 . . . . 127 GLN N . 16276 1 1453 . 1 1 127 127 GLN NE2 N 15 109.637 0.3 . 1 . . . . 127 GLN NE2 . 16276 1 1454 . 1 1 128 128 ILE H H 1 9.100 0.03 . 1 . . . . 128 ILE HN . 16276 1 1455 . 1 1 128 128 ILE HA H 1 4.691 0.03 . 1 . . . . 128 ILE HA . 16276 1 1456 . 1 1 128 128 ILE HB H 1 1.710 0.03 . 1 . . . . 128 ILE HB . 16276 1 1457 . 1 1 128 128 ILE HD11 H 1 0.922 0.03 . 1 . . . . 128 ILE QD1 . 16276 1 1458 . 1 1 128 128 ILE HD12 H 1 0.922 0.03 . 1 . . . . 128 ILE QD1 . 16276 1 1459 . 1 1 128 128 ILE HD13 H 1 0.922 0.03 . 1 . . . . 128 ILE QD1 . 16276 1 1460 . 1 1 128 128 ILE HG12 H 1 1.642 0.03 . 2 . . . . 128 ILE HG12 . 16276 1 1461 . 1 1 128 128 ILE HG13 H 1 0.989 0.03 . 2 . . . . 128 ILE HG13 . 16276 1 1462 . 1 1 128 128 ILE HG21 H 1 0.763 0.03 . 1 . . . . 128 ILE QG2 . 16276 1 1463 . 1 1 128 128 ILE HG22 H 1 0.763 0.03 . 1 . . . . 128 ILE QG2 . 16276 1 1464 . 1 1 128 128 ILE HG23 H 1 0.763 0.03 . 1 . . . . 128 ILE QG2 . 16276 1 1465 . 1 1 128 128 ILE C C 13 174.679 0.3 . 1 . . . . 128 ILE C . 16276 1 1466 . 1 1 128 128 ILE CA C 13 60.550 0.3 . 1 . . . . 128 ILE CA . 16276 1 1467 . 1 1 128 128 ILE CB C 13 42.828 0.3 . 1 . . . . 128 ILE CB . 16276 1 1468 . 1 1 128 128 ILE CD1 C 13 15.670 0.3 . 1 . . . . 128 ILE CD1 . 16276 1 1469 . 1 1 128 128 ILE CG1 C 13 27.570 0.3 . 1 . . . . 128 ILE CG1 . 16276 1 1470 . 1 1 128 128 ILE CG2 C 13 17.480 0.3 . 1 . . . . 128 ILE CG2 . 16276 1 1471 . 1 1 128 128 ILE N N 15 120.791 0.3 . 1 . . . . 128 ILE N . 16276 1 1472 . 1 1 129 129 ALA H H 1 9.248 0.03 . 1 . . . . 129 ALA HN . 16276 1 1473 . 1 1 129 129 ALA HA H 1 5.046 0.03 . 1 . . . . 129 ALA HA . 16276 1 1474 . 1 1 129 129 ALA HB1 H 1 1.408 0.03 . 1 . . . . 129 ALA QB . 16276 1 1475 . 1 1 129 129 ALA HB2 H 1 1.408 0.03 . 1 . . . . 129 ALA QB . 16276 1 1476 . 1 1 129 129 ALA HB3 H 1 1.408 0.03 . 1 . . . . 129 ALA QB . 16276 1 1477 . 1 1 129 129 ALA C C 13 175.777 0.3 . 1 . . . . 129 ALA C . 16276 1 1478 . 1 1 129 129 ALA CA C 13 50.920 0.3 . 1 . . . . 129 ALA CA . 16276 1 1479 . 1 1 129 129 ALA CB C 13 20.290 0.3 . 1 . . . . 129 ALA CB . 16276 1 1480 . 1 1 129 129 ALA N N 15 129.463 0.3 . 1 . . . . 129 ALA N . 16276 1 1481 . 1 1 130 130 LEU H H 1 9.577 0.03 . 1 . . . . 130 LEU HN . 16276 1 1482 . 1 1 130 130 LEU HA H 1 5.081 0.03 . 1 . . . . 130 LEU HA . 16276 1 1483 . 1 1 130 130 LEU HB2 H 1 2.172 0.03 . 2 . . . . 130 LEU HB2 . 16276 1 1484 . 1 1 130 130 LEU HB3 H 1 1.269 0.03 . 2 . . . . 130 LEU HB3 . 16276 1 1485 . 1 1 130 130 LEU HD11 H 1 0.854 0.03 . 2 . . . . 130 LEU QD1 . 16276 1 1486 . 1 1 130 130 LEU HD12 H 1 0.854 0.03 . 2 . . . . 130 LEU QD1 . 16276 1 1487 . 1 1 130 130 LEU HD13 H 1 0.854 0.03 . 2 . . . . 130 LEU QD1 . 16276 1 1488 . 1 1 130 130 LEU HD21 H 1 0.928 0.03 . 2 . . . . 130 LEU QD2 . 16276 1 1489 . 1 1 130 130 LEU HD22 H 1 0.928 0.03 . 2 . . . . 130 LEU QD2 . 16276 1 1490 . 1 1 130 130 LEU HD23 H 1 0.928 0.03 . 2 . . . . 130 LEU QD2 . 16276 1 1491 . 1 1 130 130 LEU HG H 1 1.521 0.03 . 1 . . . . 130 LEU HG . 16276 1 1492 . 1 1 130 130 LEU C C 13 173.42 0.3 . 1 . . . . 130 LEU C . 16276 1 1493 . 1 1 130 130 LEU CA C 13 54.049 0.3 . 1 . . . . 130 LEU CA . 16276 1 1494 . 1 1 130 130 LEU CB C 13 45.331 0.3 . 1 . . . . 130 LEU CB . 16276 1 1495 . 1 1 130 130 LEU CD1 C 13 26.270 0.3 . 2 . . . . 130 LEU CD1 . 16276 1 1496 . 1 1 130 130 LEU CD2 C 13 25.870 0.3 . 2 . . . . 130 LEU CD2 . 16276 1 1497 . 1 1 130 130 LEU CG C 13 27.830 0.3 . 1 . . . . 130 LEU CG . 16276 1 1498 . 1 1 130 130 LEU N N 15 129.756 0.3 . 1 . . . . 130 LEU N . 16276 1 1499 . 1 1 131 131 ARG H H 1 9.044 0.03 . 1 . . . . 131 ARG HN . 16276 1 1500 . 1 1 131 131 ARG HA H 1 5.299 0.03 . 1 . . . . 131 ARG HA . 16276 1 1501 . 1 1 131 131 ARG HB2 H 1 1.784 0.03 . 2 . . . . 131 ARG HB2 . 16276 1 1502 . 1 1 131 131 ARG HB3 H 1 1.647 0.03 . 2 . . . . 131 ARG HB3 . 16276 1 1503 . 1 1 131 131 ARG HD2 H 1 2.888 0.03 . 2 . . . . 131 ARG QD . 16276 1 1504 . 1 1 131 131 ARG HD3 H 1 2.888 0.03 . 2 . . . . 131 ARG QD . 16276 1 1505 . 1 1 131 131 ARG HG2 H 1 1.458 0.03 . 2 . . . . 131 ARG HG2 . 16276 1 1506 . 1 1 131 131 ARG HG3 H 1 1.580 0.03 . 2 . . . . 131 ARG HG3 . 16276 1 1507 . 1 1 131 131 ARG C C 13 175.454 0.3 . 1 . . . . 131 ARG C . 16276 1 1508 . 1 1 131 131 ARG CA C 13 55.231 0.3 . 1 . . . . 131 ARG CA . 16276 1 1509 . 1 1 131 131 ARG CB C 13 32.062 0.3 . 1 . . . . 131 ARG CB . 16276 1 1510 . 1 1 131 131 ARG CD C 13 43.467 0.3 . 1 . . . . 131 ARG CD . 16276 1 1511 . 1 1 131 131 ARG CG C 13 28.480 0.3 . 1 . . . . 131 ARG CG . 16276 1 1512 . 1 1 131 131 ARG N N 15 128.682 0.3 . 1 . . . . 131 ARG N . 16276 1 1513 . 1 1 132 132 TYR H H 1 9.344 0.03 . 1 . . . . 132 TYR HN . 16276 1 1514 . 1 1 132 132 TYR HA H 1 5.385 0.03 . 1 . . . . 132 TYR HA . 16276 1 1515 . 1 1 132 132 TYR HB2 H 1 2.810 0.03 . 2 . . . . 132 TYR QB . 16276 1 1516 . 1 1 132 132 TYR HB3 H 1 2.810 0.03 . 2 . . . . 132 TYR QB . 16276 1 1517 . 1 1 132 132 TYR HD1 H 1 7.279 0.03 . 3 . . . . 132 TYR QD . 16276 1 1518 . 1 1 132 132 TYR HD2 H 1 7.279 0.03 . 3 . . . . 132 TYR QD . 16276 1 1519 . 1 1 132 132 TYR HE1 H 1 7.128 0.03 . 3 . . . . 132 TYR QE . 16276 1 1520 . 1 1 132 132 TYR HE2 H 1 7.128 0.03 . 3 . . . . 132 TYR QE . 16276 1 1521 . 1 1 132 132 TYR C C 13 174.182 0.3 . 1 . . . . 132 TYR C . 16276 1 1522 . 1 1 132 132 TYR CA C 13 56.869 0.3 . 1 . . . . 132 TYR CA . 16276 1 1523 . 1 1 132 132 TYR CB C 13 43.121 0.3 . 1 . . . . 132 TYR CB . 16276 1 1524 . 1 1 132 132 TYR N N 15 128.926 0.3 . 1 . . . . 132 TYR N . 16276 1 1525 . 1 1 133 133 SER H H 1 8.315 0.03 . 1 . . . . 133 SER HN . 16276 1 1526 . 1 1 133 133 SER HA H 1 4.722 0.03 . 1 . . . . 133 SER HA . 16276 1 1527 . 1 1 133 133 SER HB2 H 1 3.881 0.03 . 2 . . . . 133 SER HB2 . 16276 1 1528 . 1 1 133 133 SER HB3 H 1 3.803 0.03 . 2 . . . . 133 SER HB3 . 16276 1 1529 . 1 1 133 133 SER C C 13 172.97 0.3 . 1 . . . . 133 SER C . 16276 1 1530 . 1 1 133 133 SER CA C 13 58.220 0.3 . 1 . . . . 133 SER CA . 16276 1 1531 . 1 1 133 133 SER CB C 13 65.430 0.3 . 1 . . . . 133 SER CB . 16276 1 1532 . 1 1 133 133 SER N N 15 119.683 0.3 . 1 . . . . 133 SER N . 16276 1 1533 . 1 1 134 134 SER H H 1 6.642 0.03 . 1 . . . . 134 SER HN . 16276 1 1534 . 1 1 134 134 SER HA H 1 5.012 0.03 . 1 . . . . 134 SER HA . 16276 1 1535 . 1 1 134 134 SER HB2 H 1 4.189 0.03 . 2 . . . . 134 SER HB2 . 16276 1 1536 . 1 1 134 134 SER HB3 H 1 3.920 0.03 . 2 . . . . 134 SER HB3 . 16276 1 1537 . 1 1 134 134 SER C C 13 174.615 0.3 . 1 . . . . 134 SER C . 16276 1 1538 . 1 1 134 134 SER CA C 13 54.955 0.3 . 1 . . . . 134 SER CA . 16276 1 1539 . 1 1 134 134 SER CB C 13 66.760 0.3 . 1 . . . . 134 SER CB . 16276 1 1540 . 1 1 134 134 SER N N 15 118.800 0.3 . 1 . . . . 134 SER N . 16276 1 1541 . 1 1 135 135 PRO HA H 1 4.678 0.03 . 1 . . . . 135 PRO HA . 16276 1 1542 . 1 1 135 135 PRO HB2 H 1 2.476 0.03 . 2 . . . . 135 PRO HB2 . 16276 1 1543 . 1 1 135 135 PRO HB3 H 1 2.154 0.03 . 2 . . . . 135 PRO HB3 . 16276 1 1544 . 1 1 135 135 PRO HD2 H 1 4.086 0.03 . 2 . . . . 135 PRO QD . 16276 1 1545 . 1 1 135 135 PRO HD3 H 1 4.086 0.03 . 2 . . . . 135 PRO QD . 16276 1 1546 . 1 1 135 135 PRO HG2 H 1 2.055 0.03 . 2 . . . . 135 PRO HG2 . 16276 1 1547 . 1 1 135 135 PRO HG3 H 1 2.177 0.03 . 2 . . . . 135 PRO HG3 . 16276 1 1548 . 1 1 135 135 PRO C C 13 178.274 0.3 . 1 . . . . 135 PRO C . 16276 1 1549 . 1 1 135 135 PRO CA C 13 64.050 0.3 . 1 . . . . 135 PRO CA . 16276 1 1550 . 1 1 135 135 PRO CB C 13 32.112 0.3 . 1 . . . . 135 PRO CB . 16276 1 1551 . 1 1 135 135 PRO CD C 13 51.546 0.3 . 1 . . . . 135 PRO CD . 16276 1 1552 . 1 1 135 135 PRO CG C 13 27.380 0.3 . 1 . . . . 135 PRO CG . 16276 1 1553 . 1 1 136 136 ARG H H 1 8.456 0.03 . 1 . . . . 136 ARG HN . 16276 1 1554 . 1 1 136 136 ARG HA H 1 4.356 0.03 . 1 . . . . 136 ARG HA . 16276 1 1555 . 1 1 136 136 ARG HB2 H 1 2.166 0.03 . 2 . . . . 136 ARG HB2 . 16276 1 1556 . 1 1 136 136 ARG HB3 H 1 2.059 0.03 . 2 . . . . 136 ARG HB3 . 16276 1 1557 . 1 1 136 136 ARG C C 13 176.379 0.3 . 1 . . . . 136 ARG C . 16276 1 1558 . 1 1 136 136 ARG CA C 13 58.040 0.3 . 1 . . . . 136 ARG CA . 16276 1 1559 . 1 1 136 136 ARG CB C 13 30.670 0.3 . 1 . . . . 136 ARG CB . 16276 1 1560 . 1 1 136 136 ARG N N 15 116.892 0.3 . 1 . . . . 136 ARG N . 16276 1 1561 . 1 1 137 137 ARG H H 1 7.986 0.03 . 1 . . . . 137 ARG HN . 16276 1 1562 . 1 1 137 137 ARG HA H 1 4.539 0.03 . 1 . . . . 137 ARG HA . 16276 1 1563 . 1 1 137 137 ARG HB2 H 1 1.869 0.03 . 2 . . . . 137 ARG QB . 16276 1 1564 . 1 1 137 137 ARG HB3 H 1 1.869 0.03 . 2 . . . . 137 ARG QB . 16276 1 1565 . 1 1 137 137 ARG C C 13 177.889 0.3 . 1 . . . . 137 ARG C . 16276 1 1566 . 1 1 137 137 ARG CA C 13 58.370 0.3 . 1 . . . . 137 ARG CA . 16276 1 1567 . 1 1 137 137 ARG CB C 13 28.350 0.3 . 1 . . . . 137 ARG CB . 16276 1 1568 . 1 1 137 137 ARG N N 15 112.467 0.3 . 1 . . . . 137 ARG N . 16276 1 1569 . 1 1 138 138 LEU H H 1 8.436 0.03 . 1 . . . . 138 LEU HN . 16276 1 1570 . 1 1 138 138 LEU HA H 1 5.116 0.03 . 1 . . . . 138 LEU HA . 16276 1 1571 . 1 1 138 138 LEU HB2 H 1 2.330 0.03 . 2 . . . . 138 LEU QB . 16276 1 1572 . 1 1 138 138 LEU HB3 H 1 2.330 0.03 . 2 . . . . 138 LEU QB . 16276 1 1573 . 1 1 138 138 LEU CA C 13 54.193 0.3 . 1 . . . . 138 LEU CA . 16276 1 1574 . 1 1 138 138 LEU CB C 13 41.616 0.3 . 1 . . . . 138 LEU CB . 16276 1 1575 . 1 1 138 138 LEU N N 15 121.779 0.3 . 1 . . . . 138 LEU N . 16276 1 1576 . 1 1 139 139 CYS H H 1 7.710 0.03 . 1 . . . . 139 CYS HN . 16276 1 1577 . 1 1 139 139 CYS HA H 1 3.420 0.03 . 1 . . . . 139 CYS HA . 16276 1 1578 . 1 1 139 139 CYS HB2 H 1 2.294 0.03 . 2 . . . . 139 CYS QB . 16276 1 1579 . 1 1 139 139 CYS HB3 H 1 2.294 0.03 . 2 . . . . 139 CYS QB . 16276 1 1580 . 1 1 139 139 CYS C C 13 178.775 0.3 . 1 . . . . 139 CYS C . 16276 1 1581 . 1 1 139 139 CYS CA C 13 61.330 0.3 . 1 . . . . 139 CYS CA . 16276 1 1582 . 1 1 139 139 CYS CB C 13 31.685 0.3 . 1 . . . . 139 CYS CB . 16276 1 1583 . 1 1 139 139 CYS N N 15 121.492 0.3 . 1 . . . . 139 CYS N . 16276 1 1584 . 1 1 140 140 PHE H H 1 8.470 0.03 . 1 . . . . 140 PHE HN . 16276 1 1585 . 1 1 140 140 PHE HA H 1 4.605 0.03 . 1 . . . . 140 PHE HA . 16276 1 1586 . 1 1 140 140 PHE HB2 H 1 3.278 0.03 . 2 . . . . 140 PHE HB2 . 16276 1 1587 . 1 1 140 140 PHE HB3 H 1 2.963 0.03 . 2 . . . . 140 PHE HB3 . 16276 1 1588 . 1 1 140 140 PHE HD1 H 1 7.477 0.03 . 3 . . . . 140 PHE QD . 16276 1 1589 . 1 1 140 140 PHE HD2 H 1 7.477 0.03 . 3 . . . . 140 PHE QD . 16276 1 1590 . 1 1 140 140 PHE HE1 H 1 7.366 0.03 . 3 . . . . 140 PHE QE . 16276 1 1591 . 1 1 140 140 PHE HE2 H 1 7.366 0.03 . 3 . . . . 140 PHE QE . 16276 1 1592 . 1 1 140 140 PHE C C 13 178.303 0.3 . 1 . . . . 140 PHE C . 16276 1 1593 . 1 1 140 140 PHE CA C 13 62.310 0.3 . 1 . . . . 140 PHE CA . 16276 1 1594 . 1 1 140 140 PHE CB C 13 37.854 0.3 . 1 . . . . 140 PHE CB . 16276 1 1595 . 1 1 140 140 PHE CD1 C 13 131.200 0.3 . 4 . . . . 140 PHE CD1 . 16276 1 1596 . 1 1 140 140 PHE CE1 C 13 131.200 0.3 . 4 . . . . 140 PHE CE1 . 16276 1 1597 . 1 1 140 140 PHE N N 15 121.612 0.3 . 1 . . . . 140 PHE N . 16276 1 1598 . 1 1 141 141 CYS H H 1 7.468 0.03 . 1 . . . . 141 CYS HN . 16276 1 1599 . 1 1 141 141 CYS HA H 1 4.092 0.03 . 1 . . . . 141 CYS HA . 16276 1 1600 . 1 1 141 141 CYS HB2 H 1 3.426 0.03 . 2 . . . . 141 CYS HB2 . 16276 1 1601 . 1 1 141 141 CYS HB3 H 1 2.565 0.03 . 2 . . . . 141 CYS HB3 . 16276 1 1602 . 1 1 141 141 CYS C C 13 176.301 0.3 . 1 . . . . 141 CYS C . 16276 1 1603 . 1 1 141 141 CYS CA C 13 62.150 0.3 . 1 . . . . 141 CYS CA . 16276 1 1604 . 1 1 141 141 CYS CB C 13 27.410 0.3 . 1 . . . . 141 CYS CB . 16276 1 1605 . 1 1 141 141 CYS N N 15 121.245 0.3 . 1 . . . . 141 CYS N . 16276 1 1606 . 1 1 142 142 ALA H H 1 7.938 0.03 . 1 . . . . 142 ALA HN . 16276 1 1607 . 1 1 142 142 ALA HA H 1 4.559 0.03 . 1 . . . . 142 ALA HA . 16276 1 1608 . 1 1 142 142 ALA HB1 H 1 1.820 0.03 . 1 . . . . 142 ALA QB . 16276 1 1609 . 1 1 142 142 ALA HB2 H 1 1.820 0.03 . 1 . . . . 142 ALA QB . 16276 1 1610 . 1 1 142 142 ALA HB3 H 1 1.820 0.03 . 1 . . . . 142 ALA QB . 16276 1 1611 . 1 1 142 142 ALA C C 13 178.615 0.3 . 1 . . . . 142 ALA C . 16276 1 1612 . 1 1 142 142 ALA CA C 13 56.180 0.3 . 1 . . . . 142 ALA CA . 16276 1 1613 . 1 1 142 142 ALA CB C 13 16.690 0.3 . 1 . . . . 142 ALA CB . 16276 1 1614 . 1 1 142 142 ALA N N 15 120.758 0.3 . 1 . . . . 142 ALA N . 16276 1 1615 . 1 1 143 143 GLU H H 1 8.590 0.03 . 1 . . . . 143 GLU HN . 16276 1 1616 . 1 1 143 143 GLU HA H 1 3.787 0.03 . 1 . . . . 143 GLU HA . 16276 1 1617 . 1 1 143 143 GLU HB2 H 1 2.442 0.03 . 2 . . . . 143 GLU QB . 16276 1 1618 . 1 1 143 143 GLU HB3 H 1 2.442 0.03 . 2 . . . . 143 GLU QB . 16276 1 1619 . 1 1 143 143 GLU HG2 H 1 2.223 0.03 . 2 . . . . 143 GLU HG2 . 16276 1 1620 . 1 1 143 143 GLU HG3 H 1 2.510 0.03 . 2 . . . . 143 GLU HG3 . 16276 1 1621 . 1 1 143 143 GLU C C 13 178.407 0.3 . 1 . . . . 143 GLU C . 16276 1 1622 . 1 1 143 143 GLU CA C 13 61.960 0.3 . 1 . . . . 143 GLU CA . 16276 1 1623 . 1 1 143 143 GLU CB C 13 30.850 0.3 . 1 . . . . 143 GLU CB . 16276 1 1624 . 1 1 143 143 GLU CG C 13 38.120 0.3 . 1 . . . . 143 GLU CG . 16276 1 1625 . 1 1 143 143 GLU N N 15 116.365 0.3 . 1 . . . . 143 GLU N . 16276 1 1626 . 1 1 144 144 GLY H H 1 7.858 0.03 . 1 . . . . 144 GLY HN . 16276 1 1627 . 1 1 144 144 GLY HA2 H 1 4.699 0.03 . 2 . . . . 144 GLY HA1 . 16276 1 1628 . 1 1 144 144 GLY HA3 H 1 4.008 0.03 . 2 . . . . 144 GLY HA2 . 16276 1 1629 . 1 1 144 144 GLY C C 13 175.612 0.3 . 1 . . . . 144 GLY C . 16276 1 1630 . 1 1 144 144 GLY CA C 13 48.758 0.3 . 1 . . . . 144 GLY CA . 16276 1 1631 . 1 1 144 144 GLY N N 15 104.278 0.3 . 1 . . . . 144 GLY N . 16276 1 1632 . 1 1 145 145 LEU H H 1 8.643 0.03 . 1 . . . . 145 LEU HN . 16276 1 1633 . 1 1 145 145 LEU HA H 1 3.548 0.03 . 1 . . . . 145 LEU HA . 16276 1 1634 . 1 1 145 145 LEU HB2 H 1 0.758 0.03 . 2 . . . . 145 LEU HB2 . 16276 1 1635 . 1 1 145 145 LEU HB3 H 1 1.802 0.03 . 2 . . . . 145 LEU HB3 . 16276 1 1636 . 1 1 145 145 LEU HD11 H 1 -2.110 0.03 . 2 . . . . 145 LEU QD1 . 16276 1 1637 . 1 1 145 145 LEU HD12 H 1 -2.110 0.03 . 2 . . . . 145 LEU QD1 . 16276 1 1638 . 1 1 145 145 LEU HD13 H 1 -2.110 0.03 . 2 . . . . 145 LEU QD1 . 16276 1 1639 . 1 1 145 145 LEU HD21 H 1 -1.290 0.03 . 2 . . . . 145 LEU QD2 . 16276 1 1640 . 1 1 145 145 LEU HD22 H 1 -1.290 0.03 . 2 . . . . 145 LEU QD2 . 16276 1 1641 . 1 1 145 145 LEU HD23 H 1 -1.290 0.03 . 2 . . . . 145 LEU QD2 . 16276 1 1642 . 1 1 145 145 LEU HG H 1 0.529 0.03 . 1 . . . . 145 LEU HG . 16276 1 1643 . 1 1 145 145 LEU C C 13 179.198 0.3 . 1 . . . . 145 LEU C . 16276 1 1644 . 1 1 145 145 LEU CA C 13 58.890 0.3 . 1 . . . . 145 LEU CA . 16276 1 1645 . 1 1 145 145 LEU CB C 13 42.565 0.3 . 1 . . . . 145 LEU CB . 16276 1 1646 . 1 1 145 145 LEU CD1 C 13 25.080 0.3 . 2 . . . . 145 LEU CD1 . 16276 1 1647 . 1 1 145 145 LEU CD2 C 13 23.940 0.3 . 2 . . . . 145 LEU CD2 . 16276 1 1648 . 1 1 145 145 LEU CG C 13 26.570 0.3 . 1 . . . . 145 LEU CG . 16276 1 1649 . 1 1 145 145 LEU N N 15 124.825 0.3 . 1 . . . . 145 LEU N . 16276 1 1650 . 1 1 146 146 LEU H H 1 8.194 0.03 . 1 . . . . 146 LEU HN . 16276 1 1651 . 1 1 146 146 LEU HA H 1 4.161 0.03 . 1 . . . . 146 LEU HA . 16276 1 1652 . 1 1 146 146 LEU HB2 H 1 2.342 0.03 . 2 . . . . 146 LEU QB . 16276 1 1653 . 1 1 146 146 LEU HB3 H 1 2.342 0.03 . 2 . . . . 146 LEU QB . 16276 1 1654 . 1 1 146 146 LEU HD11 H 1 0.962 0.03 . 2 . . . . 146 LEU QD1 . 16276 1 1655 . 1 1 146 146 LEU HD12 H 1 0.962 0.03 . 2 . . . . 146 LEU QD1 . 16276 1 1656 . 1 1 146 146 LEU HD13 H 1 0.962 0.03 . 2 . . . . 146 LEU QD1 . 16276 1 1657 . 1 1 146 146 LEU HD21 H 1 1.074 0.03 . 1 . . . . 146 LEU QD2 . 16276 1 1658 . 1 1 146 146 LEU HD22 H 1 1.074 0.03 . 1 . . . . 146 LEU QD2 . 16276 1 1659 . 1 1 146 146 LEU HD23 H 1 1.074 0.03 . 1 . . . . 146 LEU QD2 . 16276 1 1660 . 1 1 146 146 LEU HG H 1 2.246 0.03 . 1 . . . . 146 LEU HG . 16276 1 1661 . 1 1 146 146 LEU C C 13 179.616 0.3 . 1 . . . . 146 LEU C . 16276 1 1662 . 1 1 146 146 LEU CA C 13 59.090 0.3 . 1 . . . . 146 LEU CA . 16276 1 1663 . 1 1 146 146 LEU CB C 13 42.377 0.3 . 1 . . . . 146 LEU CB . 16276 1 1664 . 1 1 146 146 LEU CD1 C 13 27.090 0.3 . 2 . . . . 146 LEU CD1 . 16276 1 1665 . 1 1 146 146 LEU CD2 C 13 24.820 0.3 . 1 . . . . 146 LEU CD2 . 16276 1 1666 . 1 1 146 146 LEU CG C 13 27.710 0.3 . 1 . . . . 146 LEU CG . 16276 1 1667 . 1 1 146 146 LEU N N 15 119.213 0.3 . 1 . . . . 146 LEU N . 16276 1 1668 . 1 1 147 147 PHE H H 1 8.345 0.03 . 1 . . . . 147 PHE HN . 16276 1 1669 . 1 1 147 147 PHE HA H 1 4.311 0.03 . 1 . . . . 147 PHE HA . 16276 1 1670 . 1 1 147 147 PHE HB2 H 1 3.158 0.03 . 2 . . . . 147 PHE QB . 16276 1 1671 . 1 1 147 147 PHE HB3 H 1 3.158 0.03 . 2 . . . . 147 PHE QB . 16276 1 1672 . 1 1 147 147 PHE HD1 H 1 7.416 0.03 . 3 . . . . 147 PHE QD . 16276 1 1673 . 1 1 147 147 PHE HD2 H 1 7.416 0.03 . 3 . . . . 147 PHE QD . 16276 1 1674 . 1 1 147 147 PHE HE1 H 1 7.549 0.03 . 3 . . . . 147 PHE QE . 16276 1 1675 . 1 1 147 147 PHE HE2 H 1 7.549 0.03 . 3 . . . . 147 PHE QE . 16276 1 1676 . 1 1 147 147 PHE C C 13 180.58 0.3 . 1 . . . . 147 PHE C . 16276 1 1677 . 1 1 147 147 PHE CA C 13 63.160 0.3 . 1 . . . . 147 PHE CA . 16276 1 1678 . 1 1 147 147 PHE CB C 13 38.474 0.3 . 1 . . . . 147 PHE CB . 16276 1 1679 . 1 1 147 147 PHE CD1 C 13 131.839 0.3 . 4 . . . . 147 PHE CD1 . 16276 1 1680 . 1 1 147 147 PHE CE1 C 13 131.839 0.3 . 4 . . . . 147 PHE CE1 . 16276 1 1681 . 1 1 147 147 PHE N N 15 118.764 0.3 . 1 . . . . 147 PHE N . 16276 1 1682 . 1 1 148 148 GLY H H 1 9.190 0.03 . 1 . . . . 148 GLY HN . 16276 1 1683 . 1 1 148 148 GLY HA2 H 1 3.684 0.03 . 2 . . . . 148 GLY HA1 . 16276 1 1684 . 1 1 148 148 GLY HA3 H 1 3.974 0.03 . 2 . . . . 148 GLY HA2 . 16276 1 1685 . 1 1 148 148 GLY C C 13 175.753 0.3 . 1 . . . . 148 GLY C . 16276 1 1686 . 1 1 148 148 GLY CA C 13 47.448 0.3 . 1 . . . . 148 GLY CA . 16276 1 1687 . 1 1 148 148 GLY N N 15 110.437 0.3 . 1 . . . . 148 GLY N . 16276 1 1688 . 1 1 149 149 ALA H H 1 8.745 0.03 . 1 . . . . 149 ALA HN . 16276 1 1689 . 1 1 149 149 ALA HA H 1 3.103 0.03 . 1 . . . . 149 ALA HA . 16276 1 1690 . 1 1 149 149 ALA HB1 H 1 1.419 0.03 . 1 . . . . 149 ALA QB . 16276 1 1691 . 1 1 149 149 ALA HB2 H 1 1.419 0.03 . 1 . . . . 149 ALA QB . 16276 1 1692 . 1 1 149 149 ALA HB3 H 1 1.419 0.03 . 1 . . . . 149 ALA QB . 16276 1 1693 . 1 1 149 149 ALA C C 13 179.041 0.3 . 1 . . . . 149 ALA C . 16276 1 1694 . 1 1 149 149 ALA CA C 13 54.657 0.3 . 1 . . . . 149 ALA CA . 16276 1 1695 . 1 1 149 149 ALA CB C 13 18.370 0.3 . 1 . . . . 149 ALA CB . 16276 1 1696 . 1 1 149 149 ALA N N 15 128.731 0.3 . 1 . . . . 149 ALA N . 16276 1 1697 . 1 1 150 150 ALA H H 1 8.685 0.03 . 1 . . . . 150 ALA HN . 16276 1 1698 . 1 1 150 150 ALA HA H 1 3.789 0.03 . 1 . . . . 150 ALA HA . 16276 1 1699 . 1 1 150 150 ALA HB1 H 1 1.329 0.03 . 1 . . . . 150 ALA QB . 16276 1 1700 . 1 1 150 150 ALA HB2 H 1 1.329 0.03 . 1 . . . . 150 ALA QB . 16276 1 1701 . 1 1 150 150 ALA HB3 H 1 1.329 0.03 . 1 . . . . 150 ALA QB . 16276 1 1702 . 1 1 150 150 ALA C C 13 180.306 0.3 . 1 . . . . 150 ALA C . 16276 1 1703 . 1 1 150 150 ALA CA C 13 56.370 0.3 . 1 . . . . 150 ALA CA . 16276 1 1704 . 1 1 150 150 ALA CB C 13 17.140 0.3 . 1 . . . . 150 ALA CB . 16276 1 1705 . 1 1 150 150 ALA N N 15 121.891 0.3 . 1 . . . . 150 ALA N . 16276 1 1706 . 1 1 151 151 GLN H H 1 8.077 0.03 . 1 . . . . 151 GLN HN . 16276 1 1707 . 1 1 151 151 GLN HA H 1 4.200 0.03 . 1 . . . . 151 GLN HA . 16276 1 1708 . 1 1 151 151 GLN HB2 H 1 2.424 0.03 . 2 . . . . 151 GLN HB2 . 16276 1 1709 . 1 1 151 151 GLN HB3 H 1 2.352 0.03 . 2 . . . . 151 GLN HB3 . 16276 1 1710 . 1 1 151 151 GLN HE21 H 1 7.649 0.03 . 4 . . . . 151 GLN QE2 . 16276 1 1711 . 1 1 151 151 GLN HE22 H 1 7.649 0.03 . 4 . . . . 151 GLN QE2 . 16276 1 1712 . 1 1 151 151 GLN HG2 H 1 2.668 0.03 . 2 . . . . 151 GLN HG2 . 16276 1 1713 . 1 1 151 151 GLN HG3 H 1 2.497 0.03 . 2 . . . . 151 GLN HG3 . 16276 1 1714 . 1 1 151 151 GLN C C 13 179.855 0.3 . 1 . . . . 151 GLN C . 16276 1 1715 . 1 1 151 151 GLN CA C 13 59.120 0.3 . 1 . . . . 151 GLN CA . 16276 1 1716 . 1 1 151 151 GLN CB C 13 28.310 0.3 . 1 . . . . 151 GLN CB . 16276 1 1717 . 1 1 151 151 GLN CG C 13 34.060 0.3 . 1 . . . . 151 GLN CG . 16276 1 1718 . 1 1 151 151 GLN N N 15 118.685 0.3 . 1 . . . . 151 GLN N . 16276 1 1719 . 1 1 151 151 GLN NE2 N 15 113.870 0.3 . 1 . . . . 151 GLN NE2 . 16276 1 1720 . 1 1 152 152 HIS H H 1 8.058 0.03 . 1 . . . . 152 HIS HN . 16276 1 1721 . 1 1 152 152 HIS HA H 1 4.200 0.03 . 1 . . . . 152 HIS HA . 16276 1 1722 . 1 1 152 152 HIS HB2 H 1 3.179 0.03 . 2 . . . . 152 HIS HB2 . 16276 1 1723 . 1 1 152 152 HIS HB3 H 1 3.466 0.03 . 2 . . . . 152 HIS HB3 . 16276 1 1724 . 1 1 152 152 HIS C C 13 176.542 0.3 . 1 . . . . 152 HIS C . 16276 1 1725 . 1 1 152 152 HIS CA C 13 60.030 0.3 . 1 . . . . 152 HIS CA . 16276 1 1726 . 1 1 152 152 HIS CB C 13 31.380 0.3 . 1 . . . . 152 HIS CB . 16276 1 1727 . 1 1 152 152 HIS N N 15 121.800 0.3 . 1 . . . . 152 HIS N . 16276 1 1728 . 1 1 153 153 PHE H H 1 7.665 0.03 . 1 . . . . 153 PHE HN . 16276 1 1729 . 1 1 153 153 PHE HA H 1 4.601 0.03 . 1 . . . . 153 PHE HA . 16276 1 1730 . 1 1 153 153 PHE HB2 H 1 3.987 0.03 . 2 . . . . 153 PHE HB2 . 16276 1 1731 . 1 1 153 153 PHE HB3 H 1 2.756 0.03 . 2 . . . . 153 PHE HB3 . 16276 1 1732 . 1 1 153 153 PHE HD1 H 1 7.740 0.03 . 3 . . . . 153 PHE QD . 16276 1 1733 . 1 1 153 153 PHE HD2 H 1 7.740 0.03 . 3 . . . . 153 PHE QD . 16276 1 1734 . 1 1 153 153 PHE HE1 H 1 7.800 0.03 . 3 . . . . 153 PHE QE . 16276 1 1735 . 1 1 153 153 PHE HE2 H 1 7.800 0.03 . 3 . . . . 153 PHE QE . 16276 1 1736 . 1 1 153 153 PHE HZ H 1 7.050 0.03 . 1 . . . . 153 PHE HZ . 16276 1 1737 . 1 1 153 153 PHE C C 13 174.047 0.3 . 1 . . . . 153 PHE C . 16276 1 1738 . 1 1 153 153 PHE CA C 13 58.930 0.3 . 1 . . . . 153 PHE CA . 16276 1 1739 . 1 1 153 153 PHE CB C 13 40.237 0.3 . 1 . . . . 153 PHE CB . 16276 1 1740 . 1 1 153 153 PHE CD1 C 13 132.176 0.3 . 4 . . . . 153 PHE CD1 . 16276 1 1741 . 1 1 153 153 PHE CE1 C 13 132.180 0.3 . 4 . . . . 153 PHE CE1 . 16276 1 1742 . 1 1 153 153 PHE N N 15 113.815 0.3 . 1 . . . . 153 PHE N . 16276 1 1743 . 1 1 154 154 GLN H H 1 8.108 0.03 . 1 . . . . 154 GLN HN . 16276 1 1744 . 1 1 154 154 GLN HA H 1 3.901 0.03 . 1 . . . . 154 GLN HA . 16276 1 1745 . 1 1 154 154 GLN HB2 H 1 2.279 0.03 . 2 . . . . 154 GLN HB2 . 16276 1 1746 . 1 1 154 154 GLN HB3 H 1 2.350 0.03 . 2 . . . . 154 GLN HB3 . 16276 1 1747 . 1 1 154 154 GLN HG2 H 1 2.340 0.03 . 2 . . . . 154 GLN QG . 16276 1 1748 . 1 1 154 154 GLN HG3 H 1 2.340 0.03 . 2 . . . . 154 GLN QG . 16276 1 1749 . 1 1 154 154 GLN C C 13 174.235 0.3 . 1 . . . . 154 GLN C . 16276 1 1750 . 1 1 154 154 GLN CA C 13 57.190 0.3 . 1 . . . . 154 GLN CA . 16276 1 1751 . 1 1 154 154 GLN CB C 13 26.290 0.3 . 1 . . . . 154 GLN CB . 16276 1 1752 . 1 1 154 154 GLN CG C 13 34.383 0.3 . 1 . . . . 154 GLN CG . 16276 1 1753 . 1 1 154 154 GLN N N 15 117.331 0.3 . 1 . . . . 154 GLN N . 16276 1 1754 . 1 1 155 155 GLN H H 1 8.547 0.03 . 1 . . . . 155 GLN HN . 16276 1 1755 . 1 1 155 155 GLN HA H 1 4.553 0.03 . 1 . . . . 155 GLN HA . 16276 1 1756 . 1 1 155 155 GLN HB2 H 1 1.700 0.03 . 2 . . . . 155 GLN HB2 . 16276 1 1757 . 1 1 155 155 GLN HB3 H 1 1.893 0.03 . 2 . . . . 155 GLN HB3 . 16276 1 1758 . 1 1 155 155 GLN HE21 H 1 7.897 0.03 . 2 . . . . 155 GLN HE21 . 16276 1 1759 . 1 1 155 155 GLN HE22 H 1 7.321 0.03 . 2 . . . . 155 GLN HE22 . 16276 1 1760 . 1 1 155 155 GLN HG2 H 1 1.770 0.03 . 2 . . . . 155 GLN QG . 16276 1 1761 . 1 1 155 155 GLN HG3 H 1 1.770 0.03 . 2 . . . . 155 GLN QG . 16276 1 1762 . 1 1 155 155 GLN C C 13 174.704 0.3 . 1 . . . . 155 GLN C . 16276 1 1763 . 1 1 155 155 GLN CA C 13 53.306 0.3 . 1 . . . . 155 GLN CA . 16276 1 1764 . 1 1 155 155 GLN CB C 13 31.738 0.3 . 1 . . . . 155 GLN CB . 16276 1 1765 . 1 1 155 155 GLN CG C 13 34.473 0.3 . 1 . . . . 155 GLN CG . 16276 1 1766 . 1 1 155 155 GLN N N 15 119.252 0.3 . 1 . . . . 155 GLN N . 16276 1 1767 . 1 1 155 155 GLN NE2 N 15 117.368 0.3 . 1 . . . . 155 GLN NE2 . 16276 1 1768 . 1 1 156 156 LYS H H 1 8.966 0.03 . 1 . . . . 156 LYS HN . 16276 1 1769 . 1 1 156 156 LYS HA H 1 4.515 0.03 . 1 . . . . 156 LYS HA . 16276 1 1770 . 1 1 156 156 LYS HB2 H 1 1.839 0.03 . 2 . . . . 156 LYS QB . 16276 1 1771 . 1 1 156 156 LYS HB3 H 1 1.839 0.03 . 2 . . . . 156 LYS QB . 16276 1 1772 . 1 1 156 156 LYS HD2 H 1 1.695 0.03 . 2 . . . . 156 LYS QD . 16276 1 1773 . 1 1 156 156 LYS HD3 H 1 1.695 0.03 . 2 . . . . 156 LYS QD . 16276 1 1774 . 1 1 156 156 LYS HE2 H 1 3.009 0.03 . 2 . . . . 156 LYS QE . 16276 1 1775 . 1 1 156 156 LYS HE3 H 1 3.009 0.03 . 2 . . . . 156 LYS QE . 16276 1 1776 . 1 1 156 156 LYS HG2 H 1 1.410 0.03 . 2 . . . . 156 LYS HG2 . 16276 1 1777 . 1 1 156 156 LYS HG3 H 1 1.537 0.03 . 2 . . . . 156 LYS HG3 . 16276 1 1778 . 1 1 156 156 LYS C C 13 177.225 0.3 . 1 . . . . 156 LYS C . 16276 1 1779 . 1 1 156 156 LYS CA C 13 56.740 0.3 . 1 . . . . 156 LYS CA . 16276 1 1780 . 1 1 156 156 LYS CB C 13 32.586 0.3 . 1 . . . . 156 LYS CB . 16276 1 1781 . 1 1 156 156 LYS CD C 13 29.420 0.3 . 1 . . . . 156 LYS CD . 16276 1 1782 . 1 1 156 156 LYS CE C 13 42.192 0.3 . 1 . . . . 156 LYS CE . 16276 1 1783 . 1 1 156 156 LYS CG C 13 25.280 0.3 . 1 . . . . 156 LYS CG . 16276 1 1784 . 1 1 156 156 LYS N N 15 128.585 0.3 . 1 . . . . 156 LYS N . 16276 1 1785 . 1 1 157 157 ILE H H 1 8.432 0.03 . 1 . . . . 157 ILE HN . 16276 1 1786 . 1 1 157 157 ILE HA H 1 5.535 0.03 . 1 . . . . 157 ILE HA . 16276 1 1787 . 1 1 157 157 ILE HB H 1 1.595 0.03 . 1 . . . . 157 ILE HB . 16276 1 1788 . 1 1 157 157 ILE HD11 H 1 0.213 0.03 . 1 . . . . 157 ILE QD1 . 16276 1 1789 . 1 1 157 157 ILE HD12 H 1 0.213 0.03 . 1 . . . . 157 ILE QD1 . 16276 1 1790 . 1 1 157 157 ILE HD13 H 1 0.213 0.03 . 1 . . . . 157 ILE QD1 . 16276 1 1791 . 1 1 157 157 ILE HG12 H 1 1.047 0.03 . 2 . . . . 157 ILE HG12 . 16276 1 1792 . 1 1 157 157 ILE HG13 H 1 0.694 0.03 . 2 . . . . 157 ILE HG13 . 16276 1 1793 . 1 1 157 157 ILE HG21 H 1 0.325 0.03 . 1 . . . . 157 ILE QG2 . 16276 1 1794 . 1 1 157 157 ILE HG22 H 1 0.325 0.03 . 1 . . . . 157 ILE QG2 . 16276 1 1795 . 1 1 157 157 ILE HG23 H 1 0.325 0.03 . 1 . . . . 157 ILE QG2 . 16276 1 1796 . 1 1 157 157 ILE C C 13 174.923 0.3 . 1 . . . . 157 ILE C . 16276 1 1797 . 1 1 157 157 ILE CA C 13 59.320 0.3 . 1 . . . . 157 ILE CA . 16276 1 1798 . 1 1 157 157 ILE CB C 13 44.170 0.3 . 1 . . . . 157 ILE CB . 16276 1 1799 . 1 1 157 157 ILE CD1 C 13 14.230 0.3 . 1 . . . . 157 ILE CD1 . 16276 1 1800 . 1 1 157 157 ILE CG1 C 13 24.850 0.3 . 1 . . . . 157 ILE CG1 . 16276 1 1801 . 1 1 157 157 ILE CG2 C 13 18.310 0.3 . 1 . . . . 157 ILE CG2 . 16276 1 1802 . 1 1 157 157 ILE N N 15 117.611 0.3 . 1 . . . . 157 ILE N . 16276 1 1803 . 1 1 158 158 GLN H H 1 8.419 0.03 . 1 . . . . 158 GLN HN . 16276 1 1804 . 1 1 158 158 GLN HA H 1 4.784 0.03 . 1 . . . . 158 GLN HA . 16276 1 1805 . 1 1 158 158 GLN HB2 H 1 2.142 0.03 . 2 . . . . 158 GLN HB2 . 16276 1 1806 . 1 1 158 158 GLN HB3 H 1 1.991 0.03 . 2 . . . . 158 GLN HB3 . 16276 1 1807 . 1 1 158 158 GLN HG2 H 1 2.417 0.03 . 2 . . . . 158 GLN QG . 16276 1 1808 . 1 1 158 158 GLN HG3 H 1 2.417 0.03 . 2 . . . . 158 GLN QG . 16276 1 1809 . 1 1 158 158 GLN C C 13 174.532 0.3 . 1 . . . . 158 GLN C . 16276 1 1810 . 1 1 158 158 GLN CA C 13 55.336 0.3 . 1 . . . . 158 GLN CA . 16276 1 1811 . 1 1 158 158 GLN CB C 13 32.940 0.3 . 1 . . . . 158 GLN CB . 16276 1 1812 . 1 1 158 158 GLN CG C 13 33.874 0.3 . 1 . . . . 158 GLN CG . 16276 1 1813 . 1 1 158 158 GLN N N 15 118.012 0.3 . 1 . . . . 158 GLN N . 16276 1 1814 . 1 1 159 159 ILE H H 1 9.045 0.03 . 1 . . . . 159 ILE HN . 16276 1 1815 . 1 1 159 159 ILE HA H 1 5.160 0.03 . 1 . . . . 159 ILE HA . 16276 1 1816 . 1 1 159 159 ILE HB H 1 1.766 0.03 . 1 . . . . 159 ILE HB . 16276 1 1817 . 1 1 159 159 ILE HD11 H 1 0.520 0.03 . 1 . . . . 159 ILE QD1 . 16276 1 1818 . 1 1 159 159 ILE HD12 H 1 0.520 0.03 . 1 . . . . 159 ILE QD1 . 16276 1 1819 . 1 1 159 159 ILE HD13 H 1 0.520 0.03 . 1 . . . . 159 ILE QD1 . 16276 1 1820 . 1 1 159 159 ILE HG12 H 1 0.765 0.03 . 2 . . . . 159 ILE HG12 . 16276 1 1821 . 1 1 159 159 ILE HG13 H 1 1.334 0.03 . 2 . . . . 159 ILE HG13 . 16276 1 1822 . 1 1 159 159 ILE HG21 H 1 0.770 0.03 . 1 . . . . 159 ILE QG2 . 16276 1 1823 . 1 1 159 159 ILE HG22 H 1 0.770 0.03 . 1 . . . . 159 ILE QG2 . 16276 1 1824 . 1 1 159 159 ILE HG23 H 1 0.770 0.03 . 1 . . . . 159 ILE QG2 . 16276 1 1825 . 1 1 159 159 ILE C C 13 176.176 0.3 . 1 . . . . 159 ILE C . 16276 1 1826 . 1 1 159 159 ILE CA C 13 61.110 0.3 . 1 . . . . 159 ILE CA . 16276 1 1827 . 1 1 159 159 ILE CB C 13 41.500 0.3 . 1 . . . . 159 ILE CB . 16276 1 1828 . 1 1 159 159 ILE CD1 C 13 14.790 0.3 . 1 . . . . 159 ILE CD1 . 16276 1 1829 . 1 1 159 159 ILE CG1 C 13 28.270 0.3 . 1 . . . . 159 ILE CG1 . 16276 1 1830 . 1 1 159 159 ILE CG2 C 13 17.800 0.3 . 1 . . . . 159 ILE CG2 . 16276 1 1831 . 1 1 159 159 ILE N N 15 122.248 0.3 . 1 . . . . 159 ILE N . 16276 1 1832 . 1 1 160 160 SER H H 1 9.318 0.03 . 1 . . . . 160 SER HN . 16276 1 1833 . 1 1 160 160 SER HA H 1 4.924 0.03 . 1 . . . . 160 SER HA . 16276 1 1834 . 1 1 160 160 SER HB2 H 1 4.037 0.03 . 2 . . . . 160 SER HB2 . 16276 1 1835 . 1 1 160 160 SER HB3 H 1 3.980 0.03 . 2 . . . . 160 SER HB3 . 16276 1 1836 . 1 1 160 160 SER C C 13 172.998 0.3 . 1 . . . . 160 SER C . 16276 1 1837 . 1 1 160 160 SER CA C 13 57.420 0.3 . 1 . . . . 160 SER CA . 16276 1 1838 . 1 1 160 160 SER CB C 13 64.650 0.3 . 1 . . . . 160 SER CB . 16276 1 1839 . 1 1 160 160 SER N N 15 124.833 0.3 . 1 . . . . 160 SER N . 16276 1 1840 . 1 1 161 161 HIS H H 1 9.409 0.03 . 1 . . . . 161 HIS HN . 16276 1 1841 . 1 1 161 161 HIS HA H 1 5.614 0.03 . 1 . . . . 161 HIS HA . 16276 1 1842 . 1 1 161 161 HIS HB2 H 1 3.483 0.03 . 2 . . . . 161 HIS HB2 . 16276 1 1843 . 1 1 161 161 HIS HB3 H 1 2.733 0.03 . 2 . . . . 161 HIS HB3 . 16276 1 1844 . 1 1 161 161 HIS HD2 H 1 6.851 0.03 . 1 . . . . 161 HIS HD2 . 16276 1 1845 . 1 1 161 161 HIS C C 13 174.501 0.3 . 1 . . . . 161 HIS C . 16276 1 1846 . 1 1 161 161 HIS CA C 13 53.080 0.3 . 1 . . . . 161 HIS CA . 16276 1 1847 . 1 1 161 161 HIS CB C 13 31.588 0.3 . 1 . . . . 161 HIS CB . 16276 1 1848 . 1 1 161 161 HIS CD2 C 13 124.526 0.3 . 1 . . . . 161 HIS CD2 . 16276 1 1849 . 1 1 161 161 HIS N N 15 131.465 0.3 . 1 . . . . 161 HIS N . 16276 1 1850 . 1 1 162 162 ASP H H 1 8.774 0.03 . 1 . . . . 162 ASP HN . 16276 1 1851 . 1 1 162 162 ASP HA H 1 4.708 0.03 . 1 . . . . 162 ASP HA . 16276 1 1852 . 1 1 162 162 ASP HB2 H 1 2.874 0.03 . 2 . . . . 162 ASP HB2 . 16276 1 1853 . 1 1 162 162 ASP HB3 H 1 2.629 0.03 . 2 . . . . 162 ASP HB3 . 16276 1 1854 . 1 1 162 162 ASP C C 13 177.037 0.3 . 1 . . . . 162 ASP C . 16276 1 1855 . 1 1 162 162 ASP CA C 13 56.870 0.3 . 1 . . . . 162 ASP CA . 16276 1 1856 . 1 1 162 162 ASP CB C 13 42.507 0.3 . 1 . . . . 162 ASP CB . 16276 1 1857 . 1 1 162 162 ASP N N 15 121.621 0.3 . 1 . . . . 162 ASP N . 16276 1 1858 . 1 1 163 163 THR H H 1 7.913 0.03 . 1 . . . . 163 THR HN . 16276 1 1859 . 1 1 163 163 THR HA H 1 4.374 0.03 . 1 . . . . 163 THR HA . 16276 1 1860 . 1 1 163 163 THR HB H 1 3.913 0.03 . 1 . . . . 163 THR HB . 16276 1 1861 . 1 1 163 163 THR HG21 H 1 0.963 0.03 . 1 . . . . 163 THR QG2 . 16276 1 1862 . 1 1 163 163 THR HG22 H 1 0.963 0.03 . 1 . . . . 163 THR QG2 . 16276 1 1863 . 1 1 163 163 THR HG23 H 1 0.963 0.03 . 1 . . . . 163 THR QG2 . 16276 1 1864 . 1 1 163 163 THR C C 13 173.577 0.3 . 1 . . . . 163 THR C . 16276 1 1865 . 1 1 163 163 THR CA C 13 63.170 0.3 . 1 . . . . 163 THR CA . 16276 1 1866 . 1 1 163 163 THR CB C 13 70.400 0.3 . 1 . . . . 163 THR CB . 16276 1 1867 . 1 1 163 163 THR CG2 C 13 21.250 0.3 . 1 . . . . 163 THR CG2 . 16276 1 1868 . 1 1 163 163 THR N N 15 117.891 0.3 . 1 . . . . 163 THR N . 16276 1 1869 . 1 1 164 164 CYS H H 1 8.882 0.03 . 1 . . . . 164 CYS HN . 16276 1 1870 . 1 1 164 164 CYS HA H 1 6.314 0.03 . 1 . . . . 164 CYS HA . 16276 1 1871 . 1 1 164 164 CYS HB2 H 1 2.938 0.03 . 2 . . . . 164 CYS HB2 . 16276 1 1872 . 1 1 164 164 CYS HB3 H 1 2.810 0.03 . 2 . . . . 164 CYS HB3 . 16276 1 1873 . 1 1 164 164 CYS C C 13 176.165 0.3 . 1 . . . . 164 CYS C . 16276 1 1874 . 1 1 164 164 CYS CA C 13 56.380 0.3 . 1 . . . . 164 CYS CA . 16276 1 1875 . 1 1 164 164 CYS CB C 13 32.755 0.3 . 1 . . . . 164 CYS CB . 16276 1 1876 . 1 1 164 164 CYS N N 15 128.829 0.3 . 1 . . . . 164 CYS N . 16276 1 1877 . 1 1 165 165 MET H H 1 10.194 0.03 . 1 . . . . 165 MET HN . 16276 1 1878 . 1 1 165 165 MET HA H 1 4.720 0.03 . 1 . . . . 165 MET HA . 16276 1 1879 . 1 1 165 165 MET HB2 H 1 2.153 0.03 . 2 . . . . 165 MET HB2 . 16276 1 1880 . 1 1 165 165 MET HB3 H 1 1.938 0.03 . 2 . . . . 165 MET HB3 . 16276 1 1881 . 1 1 165 165 MET C C 13 180.262 0.3 . 1 . . . . 165 MET C . 16276 1 1882 . 1 1 165 165 MET CA C 13 58.820 0.3 . 1 . . . . 165 MET CA . 16276 1 1883 . 1 1 165 165 MET CB C 13 34.600 0.3 . 1 . . . . 165 MET CB . 16276 1 1884 . 1 1 165 165 MET CG C 13 33.035 0.3 . 1 . . . . 165 MET CG . 16276 1 1885 . 1 1 165 165 MET N N 15 137.322 0.3 . 1 . . . . 165 MET N . 16276 1 1886 . 1 1 166 166 HIS H H 1 10.352 0.03 . 1 . . . . 166 HIS HN . 16276 1 1887 . 1 1 166 166 HIS HA H 1 4.584 0.03 . 1 . . . . 166 HIS HA . 16276 1 1888 . 1 1 166 166 HIS HB2 H 1 3.265 0.03 . 2 . . . . 166 HIS HB2 . 16276 1 1889 . 1 1 166 166 HIS HB3 H 1 3.688 0.03 . 2 . . . . 166 HIS HB3 . 16276 1 1890 . 1 1 166 166 HIS HD1 H 1 6.982 0.03 . 1 . . . . 166 HIS HD1 . 16276 1 1891 . 1 1 166 166 HIS C C 13 177.953 0.3 . 1 . . . . 166 HIS C . 16276 1 1892 . 1 1 166 166 HIS CA C 13 59.420 0.3 . 1 . . . . 166 HIS CA . 16276 1 1893 . 1 1 166 166 HIS CB C 13 30.790 0.3 . 1 . . . . 166 HIS CB . 16276 1 1894 . 1 1 166 166 HIS N N 15 121.459 0.3 . 1 . . . . 166 HIS N . 16276 1 1895 . 1 1 167 167 THR H H 1 7.882 0.03 . 1 . . . . 167 THR HN . 16276 1 1896 . 1 1 167 167 THR HA H 1 4.795 0.03 . 1 . . . . 167 THR HA . 16276 1 1897 . 1 1 167 167 THR HB H 1 4.789 0.03 . 1 . . . . 167 THR HB . 16276 1 1898 . 1 1 167 167 THR HG21 H 1 1.263 0.03 . 1 . . . . 167 THR QG2 . 16276 1 1899 . 1 1 167 167 THR HG22 H 1 1.263 0.03 . 1 . . . . 167 THR QG2 . 16276 1 1900 . 1 1 167 167 THR HG23 H 1 1.263 0.03 . 1 . . . . 167 THR QG2 . 16276 1 1901 . 1 1 167 167 THR C C 13 175.299 0.3 . 1 . . . . 167 THR C . 16276 1 1902 . 1 1 167 167 THR CA C 13 60.650 0.3 . 1 . . . . 167 THR CA . 16276 1 1903 . 1 1 167 167 THR CB C 13 68.750 0.3 . 1 . . . . 167 THR CB . 16276 1 1904 . 1 1 167 167 THR CG2 C 13 21.960 0.3 . 1 . . . . 167 THR CG2 . 16276 1 1905 . 1 1 167 167 THR N N 15 107.988 0.3 . 1 . . . . 167 THR N . 16276 1 1906 . 1 1 168 168 GLY H H 1 7.547 0.03 . 1 . . . . 168 GLY HN . 16276 1 1907 . 1 1 168 168 GLY HA2 H 1 4.591 0.03 . 2 . . . . 168 GLY HA1 . 16276 1 1908 . 1 1 168 168 GLY HA3 H 1 3.757 0.03 . 2 . . . . 168 GLY HA2 . 16276 1 1909 . 1 1 168 168 GLY C C 13 174.501 0.3 . 1 . . . . 168 GLY C . 16276 1 1910 . 1 1 168 168 GLY CA C 13 45.691 0.3 . 1 . . . . 168 GLY CA . 16276 1 1911 . 1 1 168 168 GLY N N 15 107.207 0.3 . 1 . . . . 168 GLY N . 16276 1 1912 . 1 1 169 169 ALA H H 1 7.523 0.03 . 1 . . . . 169 ALA HN . 16276 1 1913 . 1 1 169 169 ALA HA H 1 4.620 0.03 . 1 . . . . 169 ALA HA . 16276 1 1914 . 1 1 169 169 ALA HB1 H 1 1.428 0.03 . 1 . . . . 169 ALA QB . 16276 1 1915 . 1 1 169 169 ALA HB2 H 1 1.428 0.03 . 1 . . . . 169 ALA QB . 16276 1 1916 . 1 1 169 169 ALA HB3 H 1 1.428 0.03 . 1 . . . . 169 ALA QB . 16276 1 1917 . 1 1 169 169 ALA C C 13 177.021 0.3 . 1 . . . . 169 ALA C . 16276 1 1918 . 1 1 169 169 ALA CA C 13 52.035 0.3 . 1 . . . . 169 ALA CA . 16276 1 1919 . 1 1 169 169 ALA CB C 13 21.110 0.3 . 1 . . . . 169 ALA CB . 16276 1 1920 . 1 1 169 169 ALA N N 15 123.452 0.3 . 1 . . . . 169 ALA N . 16276 1 1921 . 1 1 170 170 ASP H H 1 8.592 0.03 . 1 . . . . 170 ASP HN . 16276 1 1922 . 1 1 170 170 ASP HA H 1 4.640 0.03 . 1 . . . . 170 ASP HA . 16276 1 1923 . 1 1 170 170 ASP HB2 H 1 3.118 0.03 . 2 . . . . 170 ASP QB . 16276 1 1924 . 1 1 170 170 ASP HB3 H 1 3.118 0.03 . 2 . . . . 170 ASP QB . 16276 1 1925 . 1 1 170 170 ASP C C 13 174.979 0.3 . 1 . . . . 170 ASP C . 16276 1 1926 . 1 1 170 170 ASP CA C 13 53.972 0.3 . 1 . . . . 170 ASP CA . 16276 1 1927 . 1 1 170 170 ASP CB C 13 40.412 0.3 . 1 . . . . 170 ASP CB . 16276 1 1928 . 1 1 170 170 ASP N N 15 117.204 0.3 . 1 . . . . 170 ASP N . 16276 1 1929 . 1 1 171 171 HIS H H 1 7.709 0.03 . 1 . . . . 171 HIS HN . 16276 1 1930 . 1 1 171 171 HIS HA H 1 4.999 0.03 . 1 . . . . 171 HIS HA . 16276 1 1931 . 1 1 171 171 HIS HB2 H 1 3.148 0.03 . 2 . . . . 171 HIS HB2 . 16276 1 1932 . 1 1 171 171 HIS HB3 H 1 3.091 0.03 . 2 . . . . 171 HIS HB3 . 16276 1 1933 . 1 1 171 171 HIS HD2 H 1 7.542 0.03 . 1 . . . . 171 HIS HD2 . 16276 1 1934 . 1 1 171 171 HIS C C 13 171.166 0.3 . 1 . . . . 171 HIS C . 16276 1 1935 . 1 1 171 171 HIS CA C 13 54.905 0.3 . 1 . . . . 171 HIS CA . 16276 1 1936 . 1 1 171 171 HIS CB C 13 30.560 0.3 . 1 . . . . 171 HIS CB . 16276 1 1937 . 1 1 171 171 HIS N N 15 116.103 0.3 . 1 . . . . 171 HIS N . 16276 1 1938 . 1 1 172 172 CYS H H 1 9.681 0.03 . 1 . . . . 172 CYS HN . 16276 1 1939 . 1 1 172 172 CYS HA H 1 4.997 0.03 . 1 . . . . 172 CYS HA . 16276 1 1940 . 1 1 172 172 CYS HB2 H 1 3.190 0.03 . 2 . . . . 172 CYS HB2 . 16276 1 1941 . 1 1 172 172 CYS HB3 H 1 2.957 0.03 . 2 . . . . 172 CYS HB3 . 16276 1 1942 . 1 1 172 172 CYS C C 13 175.863 0.3 . 1 . . . . 172 CYS C . 16276 1 1943 . 1 1 172 172 CYS CA C 13 58.100 0.3 . 1 . . . . 172 CYS CA . 16276 1 1944 . 1 1 172 172 CYS CB C 13 33.166 0.3 . 1 . . . . 172 CYS CB . 16276 1 1945 . 1 1 172 172 CYS N N 15 115.471 0.3 . 1 . . . . 172 CYS N . 16276 1 1946 . 1 1 173 173 MET H H 1 8.039 0.03 . 1 . . . . 173 MET HN . 16276 1 1947 . 1 1 173 173 MET HA H 1 5.546 0.03 . 1 . . . . 173 MET HA . 16276 1 1948 . 1 1 173 173 MET HB2 H 1 2.007 0.03 . 2 . . . . 173 MET HB2 . 16276 1 1949 . 1 1 173 173 MET HB3 H 1 2.216 0.03 . 2 . . . . 173 MET HB3 . 16276 1 1950 . 1 1 173 173 MET HG2 H 1 2.396 0.03 . 2 . . . . 173 MET HG2 . 16276 1 1951 . 1 1 173 173 MET HG3 H 1 2.775 0.03 . 2 . . . . 173 MET HG3 . 16276 1 1952 . 1 1 173 173 MET C C 13 173.984 0.3 . 1 . . . . 173 MET C . 16276 1 1953 . 1 1 173 173 MET CA C 13 53.259 0.3 . 1 . . . . 173 MET CA . 16276 1 1954 . 1 1 173 173 MET CB C 13 33.271 0.3 . 1 . . . . 173 MET CB . 16276 1 1955 . 1 1 173 173 MET CG C 13 31.663 0.3 . 1 . . . . 173 MET CG . 16276 1 1956 . 1 1 173 173 MET N N 15 121.627 0.3 . 1 . . . . 173 MET N . 16276 1 1957 . 1 1 174 174 LEU H H 1 9.415 0.03 . 1 . . . . 174 LEU HN . 16276 1 1958 . 1 1 174 174 LEU HA H 1 5.141 0.03 . 1 . . . . 174 LEU HA . 16276 1 1959 . 1 1 174 174 LEU HB2 H 1 1.201 0.03 . 2 . . . . 174 LEU HB2 . 16276 1 1960 . 1 1 174 174 LEU HB3 H 1 1.965 0.03 . 2 . . . . 174 LEU HB3 . 16276 1 1961 . 1 1 174 174 LEU HD11 H 1 0.506 0.03 . 2 . . . . 174 LEU QD1 . 16276 1 1962 . 1 1 174 174 LEU HD12 H 1 0.506 0.03 . 2 . . . . 174 LEU QD1 . 16276 1 1963 . 1 1 174 174 LEU HD13 H 1 0.506 0.03 . 2 . . . . 174 LEU QD1 . 16276 1 1964 . 1 1 174 174 LEU HD21 H 1 0.419 0.03 . 2 . . . . 174 LEU QD2 . 16276 1 1965 . 1 1 174 174 LEU HD22 H 1 0.419 0.03 . 2 . . . . 174 LEU QD2 . 16276 1 1966 . 1 1 174 174 LEU HD23 H 1 0.419 0.03 . 2 . . . . 174 LEU QD2 . 16276 1 1967 . 1 1 174 174 LEU HG H 1 1.201 0.03 . 1 . . . . 174 LEU HG . 16276 1 1968 . 1 1 174 174 LEU C C 13 175.237 0.3 . 1 . . . . 174 LEU C . 16276 1 1969 . 1 1 174 174 LEU CA C 13 54.477 0.3 . 1 . . . . 174 LEU CA . 16276 1 1970 . 1 1 174 174 LEU CB C 13 41.941 0.3 . 1 . . . . 174 LEU CB . 16276 1 1971 . 1 1 174 174 LEU CD1 C 13 24.680 0.3 . 2 . . . . 174 LEU CD1 . 16276 1 1972 . 1 1 174 174 LEU CD2 C 13 25.350 0.3 . 2 . . . . 174 LEU CD2 . 16276 1 1973 . 1 1 174 174 LEU CG C 13 29.220 0.3 . 1 . . . . 174 LEU CG . 16276 1 1974 . 1 1 174 174 LEU N N 15 130.293 0.3 . 1 . . . . 174 LEU N . 16276 1 1975 . 1 1 175 175 ILE H H 1 8.977 0.03 . 1 . . . . 175 ILE HN . 16276 1 1976 . 1 1 175 175 ILE HA H 1 4.951 0.03 . 1 . . . . 175 ILE HA . 16276 1 1977 . 1 1 175 175 ILE HB H 1 2.139 0.03 . 1 . . . . 175 ILE HB . 16276 1 1978 . 1 1 175 175 ILE HD11 H 1 0.842 0.03 . 1 . . . . 175 ILE QD1 . 16276 1 1979 . 1 1 175 175 ILE HD12 H 1 0.842 0.03 . 1 . . . . 175 ILE QD1 . 16276 1 1980 . 1 1 175 175 ILE HD13 H 1 0.842 0.03 . 1 . . . . 175 ILE QD1 . 16276 1 1981 . 1 1 175 175 ILE HG12 H 1 1.526 0.03 . 2 . . . . 175 ILE HG12 . 16276 1 1982 . 1 1 175 175 ILE HG13 H 1 1.296 0.03 . 2 . . . . 175 ILE HG13 . 16276 1 1983 . 1 1 175 175 ILE HG21 H 1 0.792 0.03 . 1 . . . . 175 ILE QG2 . 16276 1 1984 . 1 1 175 175 ILE HG22 H 1 0.792 0.03 . 1 . . . . 175 ILE QG2 . 16276 1 1985 . 1 1 175 175 ILE HG23 H 1 0.792 0.03 . 1 . . . . 175 ILE QG2 . 16276 1 1986 . 1 1 175 175 ILE C C 13 176.223 0.3 . 1 . . . . 175 ILE C . 16276 1 1987 . 1 1 175 175 ILE CA C 13 59.260 0.3 . 1 . . . . 175 ILE CA . 16276 1 1988 . 1 1 175 175 ILE CB C 13 36.801 0.3 . 1 . . . . 175 ILE CB . 16276 1 1989 . 1 1 175 175 ILE CD1 C 13 11.270 0.3 . 1 . . . . 175 ILE CD1 . 16276 1 1990 . 1 1 175 175 ILE CG1 C 13 27.110 0.3 . 1 . . . . 175 ILE CG1 . 16276 1 1991 . 1 1 175 175 ILE CG2 C 13 17.450 0.3 . 1 . . . . 175 ILE CG2 . 16276 1 1992 . 1 1 175 175 ILE N N 15 123.388 0.3 . 1 . . . . 175 ILE N . 16276 1 1993 . 1 1 176 176 ILE H H 1 9.835 0.03 . 1 . . . . 176 ILE HN . 16276 1 1994 . 1 1 176 176 ILE HA H 1 4.701 0.03 . 1 . . . . 176 ILE HA . 16276 1 1995 . 1 1 176 176 ILE HB H 1 2.062 0.03 . 1 . . . . 176 ILE HB . 16276 1 1996 . 1 1 176 176 ILE HD11 H 1 1.020 0.03 . 1 . . . . 176 ILE QD1 . 16276 1 1997 . 1 1 176 176 ILE HD12 H 1 1.020 0.03 . 1 . . . . 176 ILE QD1 . 16276 1 1998 . 1 1 176 176 ILE HD13 H 1 1.020 0.03 . 1 . . . . 176 ILE QD1 . 16276 1 1999 . 1 1 176 176 ILE HG12 H 1 1.787 0.03 . 2 . . . . 176 ILE QG1 . 16276 1 2000 . 1 1 176 176 ILE HG13 H 1 1.787 0.03 . 2 . . . . 176 ILE QG1 . 16276 1 2001 . 1 1 176 176 ILE HG21 H 1 1.019 0.03 . 1 . . . . 176 ILE QG2 . 16276 1 2002 . 1 1 176 176 ILE HG22 H 1 1.019 0.03 . 1 . . . . 176 ILE QG2 . 16276 1 2003 . 1 1 176 176 ILE HG23 H 1 1.019 0.03 . 1 . . . . 176 ILE QG2 . 16276 1 2004 . 1 1 176 176 ILE C C 13 174.704 0.3 . 1 . . . . 176 ILE C . 16276 1 2005 . 1 1 176 176 ILE CA C 13 60.780 0.3 . 1 . . . . 176 ILE CA . 16276 1 2006 . 1 1 176 176 ILE CB C 13 40.335 0.3 . 1 . . . . 176 ILE CB . 16276 1 2007 . 1 1 176 176 ILE CD1 C 13 16.850 0.3 . 1 . . . . 176 ILE CD1 . 16276 1 2008 . 1 1 176 176 ILE CG1 C 13 28.080 0.3 . 1 . . . . 176 ILE CG1 . 16276 1 2009 . 1 1 176 176 ILE CG2 C 13 19.350 0.3 . 1 . . . . 176 ILE CG2 . 16276 1 2010 . 1 1 176 176 ILE N N 15 130.684 0.3 . 1 . . . . 176 ILE N . 16276 1 2011 . 1 1 177 177 GLU H H 1 9.260 0.03 . 1 . . . . 177 GLU HN . 16276 1 2012 . 1 1 177 177 GLU HA H 1 4.927 0.03 . 1 . . . . 177 GLU HA . 16276 1 2013 . 1 1 177 177 GLU HB2 H 1 1.944 0.03 . 2 . . . . 177 GLU HB2 . 16276 1 2014 . 1 1 177 177 GLU HB3 H 1 2.067 0.03 . 2 . . . . 177 GLU HB3 . 16276 1 2015 . 1 1 177 177 GLU HG2 H 1 2.278 0.03 . 2 . . . . 177 GLU HG2 . 16276 1 2016 . 1 1 177 177 GLU HG3 H 1 2.100 0.03 . 2 . . . . 177 GLU HG3 . 16276 1 2017 . 1 1 177 177 GLU C C 13 175.925 0.3 . 1 . . . . 177 GLU C . 16276 1 2018 . 1 1 177 177 GLU CA C 13 54.883 0.3 . 1 . . . . 177 GLU CA . 16276 1 2019 . 1 1 177 177 GLU CB C 13 32.706 0.3 . 1 . . . . 177 GLU CB . 16276 1 2020 . 1 1 177 177 GLU CG C 13 36.765 0.3 . 1 . . . . 177 GLU CG . 16276 1 2021 . 1 1 177 177 GLU N N 15 127.365 0.3 . 1 . . . . 177 GLU N . 16276 1 2022 . 1 1 178 178 LEU H H 1 8.799 0.03 . 1 . . . . 178 LEU HN . 16276 1 2023 . 1 1 178 178 LEU HA H 1 4.530 0.03 . 1 . . . . 178 LEU HA . 16276 1 2024 . 1 1 178 178 LEU HB2 H 1 1.601 0.03 . 2 . . . . 178 LEU HB2 . 16276 1 2025 . 1 1 178 178 LEU HB3 H 1 1.832 0.03 . 2 . . . . 178 LEU HB3 . 16276 1 2026 . 1 1 178 178 LEU HD11 H 1 0.958 0.03 . 2 . . . . 178 LEU QD1 . 16276 1 2027 . 1 1 178 178 LEU HD12 H 1 0.958 0.03 . 2 . . . . 178 LEU QD1 . 16276 1 2028 . 1 1 178 178 LEU HD13 H 1 0.958 0.03 . 2 . . . . 178 LEU QD1 . 16276 1 2029 . 1 1 178 178 LEU HD21 H 1 0.887 0.03 . 2 . . . . 178 LEU QD2 . 16276 1 2030 . 1 1 178 178 LEU HD22 H 1 0.887 0.03 . 2 . . . . 178 LEU QD2 . 16276 1 2031 . 1 1 178 178 LEU HD23 H 1 0.887 0.03 . 2 . . . . 178 LEU QD2 . 16276 1 2032 . 1 1 178 178 LEU HG H 1 1.600 0.03 . 1 . . . . 178 LEU HG . 16276 1 2033 . 1 1 178 178 LEU C C 13 176.52 0.3 . 1 . . . . 178 LEU C . 16276 1 2034 . 1 1 178 178 LEU CA C 13 56.130 0.3 . 1 . . . . 178 LEU CA . 16276 1 2035 . 1 1 178 178 LEU CB C 13 41.431 0.3 . 1 . . . . 178 LEU CB . 16276 1 2036 . 1 1 178 178 LEU CD1 C 13 24.920 0.3 . 2 . . . . 178 LEU CD1 . 16276 1 2037 . 1 1 178 178 LEU CD2 C 13 25.500 0.3 . 2 . . . . 178 LEU CD2 . 16276 1 2038 . 1 1 178 178 LEU CG C 13 29.520 0.3 . 1 . . . . 178 LEU CG . 16276 1 2039 . 1 1 178 178 LEU N N 15 128.292 0.3 . 1 . . . . 178 LEU N . 16276 1 2040 . 1 1 179 179 GLN H H 1 8.159 0.03 . 1 . . . . 179 GLN HN . 16276 1 2041 . 1 1 179 179 GLN HA H 1 4.570 0.03 . 1 . . . . 179 GLN HA . 16276 1 2042 . 1 1 179 179 GLN HB2 H 1 2.053 0.03 . 2 . . . . 179 GLN HB2 . 16276 1 2043 . 1 1 179 179 GLN HB3 H 1 1.755 0.03 . 2 . . . . 179 GLN HB3 . 16276 1 2044 . 1 1 179 179 GLN HE21 H 1 7.899 0.03 . 4 . . . . 179 GLN HE21 . 16276 1 2045 . 1 1 179 179 GLN HE22 H 1 7.327 0.03 . 4 . . . . 179 GLN HE22 . 16276 1 2046 . 1 1 179 179 GLN HG2 H 1 2.206 0.03 . 2 . . . . 179 GLN QG . 16276 1 2047 . 1 1 179 179 GLN HG3 H 1 2.206 0.03 . 2 . . . . 179 GLN QG . 16276 1 2048 . 1 1 179 179 GLN C C 13 175.017 0.3 . 1 . . . . 179 GLN C . 16276 1 2049 . 1 1 179 179 GLN CA C 13 54.883 0.3 . 1 . . . . 179 GLN CA . 16276 1 2050 . 1 1 179 179 GLN CB C 13 30.390 0.3 . 1 . . . . 179 GLN CB . 16276 1 2051 . 1 1 179 179 GLN CG C 13 33.917 0.3 . 1 . . . . 179 GLN CG . 16276 1 2052 . 1 1 179 179 GLN N N 15 122.574 0.3 . 1 . . . . 179 GLN N . 16276 1 2053 . 1 1 179 179 GLN NE2 N 15 117.505 0.3 . 1 . . . . 179 GLN NE2 . 16276 1 2054 . 1 1 180 180 ASN H H 1 8.608 0.03 . 1 . . . . 180 ASN HN . 16276 1 2055 . 1 1 180 180 ASN HA H 1 4.889 0.03 . 1 . . . . 180 ASN HA . 16276 1 2056 . 1 1 180 180 ASN HB2 H 1 2.944 0.03 . 2 . . . . 180 ASN HB2 . 16276 1 2057 . 1 1 180 180 ASN HB3 H 1 2.720 0.03 . 2 . . . . 180 ASN HB3 . 16276 1 2058 . 1 1 180 180 ASN C C 13 174.319 0.3 . 1 . . . . 180 ASN C . 16276 1 2059 . 1 1 180 180 ASN CA C 13 53.409 0.3 . 1 . . . . 180 ASN CA . 16276 1 2060 . 1 1 180 180 ASN CB C 13 40.185 0.3 . 1 . . . . 180 ASN CB . 16276 1 2061 . 1 1 180 180 ASN N N 15 121.274 0.3 . 1 . . . . 180 ASN N . 16276 1 2062 . 1 1 181 181 ASP H H 1 8.161 0.03 . 1 . . . . 181 ASP HN . 16276 1 2063 . 1 1 181 181 ASP HA H 1 4.413 0.03 . 1 . . . . 181 ASP HA . 16276 1 2064 . 1 1 181 181 ASP HB2 H 1 2.703 0.03 . 2 . . . . 181 ASP HB2 . 16276 1 2065 . 1 1 181 181 ASP HB3 H 1 2.608 0.03 . 2 . . . . 181 ASP HB3 . 16276 1 2066 . 1 1 181 181 ASP C C 13 181.13 0.3 . 1 . . . . 181 ASP C . 16276 1 2067 . 1 1 181 181 ASP CA C 13 56.050 0.3 . 1 . . . . 181 ASP CA . 16276 1 2068 . 1 1 181 181 ASP CB C 13 42.431 0.3 . 1 . . . . 181 ASP CB . 16276 1 2069 . 1 1 181 181 ASP N N 15 126.017 0.3 . 1 . . . . 181 ASP N . 16276 1 2070 . 3 3 1 1 HEM HMA1 H 1 3.662 0.03 . . . . . . . HEM HMA1 . 16276 1 2071 . 3 3 1 1 HEM HHD H 1 9.710 0.03 . . . . . . . HEM HHD . 16276 1 2072 . 3 3 1 1 HEM HBA1 H 1 3.670 0.03 . . . . . . . HEM HBA1 . 16276 1 2073 . 3 3 1 1 HEM HHC H 1 9.575 0.03 . . . . . . . HEM HHC . 16276 1 2074 . 3 3 1 1 HEM HBC1 H 1 5.990 0.03 . . . . . . . HEM HBC1 . 16276 1 2075 . 3 3 1 1 HEM HMC3 H 1 3.180 0.03 . . . . . . . HEM HMC3 . 16276 1 2076 . 3 3 1 1 HEM HAD2 H 1 3.347 0.03 . . . . . . . HEM HAD2 . 16276 1 2077 . 3 3 1 1 HEM HAB H 1 8.240 0.03 . . . . . . . HEM HAB . 16276 1 2078 . 3 3 1 1 HEM HAC H 1 8.015 0.03 . . . . . . . HEM HAC . 16276 1 2079 . 3 3 1 1 HEM HMD1 H 1 2.910 0.03 . . . . . . . HEM HMD1 . 16276 1 2080 . 3 3 1 1 HEM HMC2 H 1 3.180 0.03 . . . . . . . HEM HMC2 . 16276 1 2081 . 3 3 1 1 HEM HHB H 1 9.650 0.03 . . . . . . . HEM HHB . 16276 1 2082 . 3 3 1 1 HEM HBC2 H 1 5.680 0.03 . . . . . . . HEM HBC2 . 16276 1 2083 . 3 3 1 1 HEM HBB1 H 1 5.799 0.03 . . . . . . . HEM HBB1 . 16276 1 2084 . 3 3 1 1 HEM HMA3 H 1 3.662 0.03 . . . . . . . HEM HMA3 . 16276 1 2085 . 3 3 1 1 HEM HHA H 1 9.643 0.03 . . . . . . . HEM HHA . 16276 1 2086 . 3 3 1 1 HEM HBB2 H 1 5.520 0.03 . . . . . . . HEM HBB2 . 16276 1 2087 . 3 3 1 1 HEM HMD2 H 1 2.910 0.03 . . . . . . . HEM HMD2 . 16276 1 2088 . 3 3 1 1 HEM HAD1 H 1 3.347 0.03 . . . . . . . HEM HAD1 . 16276 1 2089 . 3 3 1 1 HEM HMD3 H 1 2.910 0.03 . . . . . . . HEM HMD3 . 16276 1 2090 . 3 3 1 1 HEM HMC1 H 1 3.180 0.03 . . . . . . . HEM HMC1 . 16276 1 2091 . 3 3 1 1 HEM HMA2 H 1 3.662 0.03 . . . . . . . HEM HMA2 . 16276 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 54 16276 1 1 55 16276 1 2 545 16276 1 3 807 16276 1 3 808 16276 1 4 839 16276 1 5 871 16276 1 5 872 16276 1 6 879 16276 1 6 880 16276 1 7 1036 16276 1 7 1037 16276 1 8 1444 16276 1 8 1445 16276 1 9 1595 16276 1 9 1596 16276 1 10 1679 16276 1 10 1680 16276 1 11 1710 16276 1 11 1711 16276 1 12 1740 16276 1 12 1741 16276 1 13 2044 16276 1 13 2045 16276 1 stop_ save_