data_19080 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19080 _Entry.Title ; Backbone assignment of an unlinked NS2B and NS3 protease complex of dengue virus 2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-03-07 _Entry.Accession_date 2013-03-07 _Entry.Last_release_date 2013-06-04 _Entry.Original_release_date 2013-06-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _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 'Young Mee' Kim . . . 19080 2 Shovanlal Gayen . . . 19080 3 Qiwei Hwang . . . 19080 4 Angela Chen . . . 19080 5 Congbao Kang . . . 19080 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 19080 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 568 19080 '15N chemical shifts' 195 19080 '1H chemical shifts' 697 19080 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 . . 2013-06-04 2013-03-07 original author . 19080 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19080 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23511634 _Citation.Full_citation . _Citation.Title 'NMR Analysis of a Novel Enzymatically Active Unlinked Dengue NS2B-NS3 Protease Complex.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 288 _Citation.Journal_issue 18 _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 12891 _Citation.Page_last 12900 _Citation.Year 2013 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 'Young Mee' Kim . . . 19080 1 2 Shovanlal Gayen . . . 19080 1 3 Congbao Kang . . . 19080 1 4 Joma Joy . . . 19080 1 5 Qiwei Huang . . . 19080 1 6 'Angela Shuyi' Chen . . . 19080 1 7 'John Liang Kuan' Wee . . . 19080 1 8 'Melgious Jin Yan' Ang . . . 19080 1 9 'Huichang Annie' Lim . . . 19080 1 10 Alvin Hung . W. . 19080 1 11 Rong Li . . . 19080 1 12 Christian Noble . G. . 19080 1 13 'Le Tian' Lee . . . 19080 1 14 Andy Yip . . . 19080 1 15 Qing-Yin Wang . . . 19080 1 16 'Cheng San Brian' Chia . . . 19080 1 17 Jeffrey Hill . . . 19080 1 18 Pei-Yong Shi . . . 19080 1 19 Thomas Keller . H. . 19080 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19080 _Assembly.ID 1 _Assembly.Name NS2B-NS3pro _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details 'Dengue NS2B-NS3 protease complex of DENV2' _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 NS3pro 1 $NS3pro A . yes native no no . . 'Unlinked NS2B-NS3pro complex of DENV2' 19080 1 2 NS2B 2 $NS2B B . yes native no no . . 'Unlinked NS2B-NS3pro complex of DENV2' 19080 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NS3pro _Entity.Sf_category entity _Entity.Sf_framecode NS3pro _Entity.Entry_ID 19080 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NS3pro _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHSQDPGKAELE DGAYRIKQKGILGYSQIGAG VYKEGTFHTMWHVTRGAVLM HKGKRIEPSWADVKKDLISY GGGWKLEGEWKEGEEVQVLA LEPGKNPRAVQTKPGLFKTN AGTIGAVSLDFSPGTSGSPI IDKKGKVVGLYGNGVVTRSG AYVSAIAQTEKSIEDNPEIE DDIFRK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; 182aa From G14 to K185 of DENV2(NP_739587.2) Residues 1-13 represent a non-native affinity tag ; _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 186 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18266 . entity . . . . . 92.47 247 98.84 99.42 6.18e-117 . . . . 19080 1 2 no BMRB 19305 . entity_1 . . . . . 89.25 240 100.00 100.00 1.07e-112 . . . . 19080 1 3 no BMRB 19306 . entity_1 . . . . . 89.25 244 100.00 100.00 9.11e-113 . . . . 19080 1 4 no PDB 2FOM . "Dengue Virus Ns2bNS3 PROTEASE" . . . . . 92.47 185 98.26 98.84 1.89e-116 . . . . 19080 1 5 no PDB 2M9P . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 89.25 240 100.00 100.00 1.07e-112 . . . . 19080 1 6 no PDB 2M9Q . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 89.25 240 100.00 100.00 1.07e-112 . . . . 19080 1 7 no PDB 4M9F . "Dengue Virus Ns2b-ns3 Protease A125c Variant At Ph 8.5" . . . . . 92.47 247 97.67 98.26 1.31e-115 . . . . 19080 1 8 no PDB 4M9I . "A125c Ns2b-ns3 Protease From Dengue Virus At Ph 5.5" . . . . . 92.47 247 97.67 98.26 1.31e-115 . . . . 19080 1 9 no PDB 4M9K . "Ns2b-ns3 Protease From Dengue Virus At Ph 5.5" . . . . . 92.47 247 98.26 98.84 3.86e-116 . . . . 19080 1 10 no PDB 4M9M . "Ns2b-ns3 Protease From Dengue Virus At Ph 8.5" . . . . . 92.47 247 98.26 98.84 3.86e-116 . . . . 19080 1 11 no PDB 4M9T . "Ns2b-ns3 Protease From Dengue Virus In The Presence Of Dtnb, A Covalent Allosteric Inhibitor" . . . . . 92.47 247 97.67 98.26 1.31e-115 . . . . 19080 1 12 no DBJ BAD42415 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.09 98.26 1.49e-105 . . . . 19080 1 13 no DBJ BAD42416 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 98.84 4.37e-106 . . . . 19080 1 14 no DBJ BAD42417 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 98.84 3.86e-106 . . . . 19080 1 15 no DBJ BAH86603 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 99.42 1.48e-106 . . . . 19080 1 16 no DBJ BAH86604 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 99.42 1.48e-106 . . . . 19080 1 17 no EMBL CAA40704 . "non-structural protein 3, partial [Dengue virus 2]" . . . . . 92.47 618 98.26 99.42 1.13e-112 . . . . 19080 1 18 no EMBL CAD31751 . "DEN2 polyprotein [Dengue virus 2]" . . . . . 92.47 3391 99.42 100.00 1.43e-107 . . . . 19080 1 19 no EMBL CAI92123 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 98.84 99.42 6.38e-107 . . . . 19080 1 20 no EMBL CAR65133 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 99.42 1.65e-106 . . . . 19080 1 21 no EMBL CAR65134 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 99.42 1.48e-106 . . . . 19080 1 22 no GB AAA42941 . "viral polyprotein [Dengue virus 2]" . . . . . 92.47 3391 100.00 100.00 7.24e-108 . . . . 19080 1 23 no GB AAA42942 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3391 97.67 99.42 1.47e-106 . . . . 19080 1 24 no GB AAA42962 . "polyprotein [Dengue virus 2]" . . . . . 92.47 3388 98.26 99.42 7.37e-107 . . . . 19080 1 25 no GB AAA66406 . "nonstructural protein 1, partial [Dengue virus 2]" . . . . . 92.47 886 98.84 99.42 1.97e-113 . . . . 19080 1 26 no GB AAA73185 . "nonstructural protein 5 [Dengue virus 2]" . . . . . 92.47 3391 100.00 100.00 6.58e-108 . . . . 19080 1 27 no PRF 1301272A . "protein 1 [Dengue virus 2]" . . . . . 92.47 885 98.84 99.42 1.93e-113 . . . . 19080 1 28 no REF NP_056776 . "flavivirus polyprotein [Dengue virus 2]" . . . . . 92.47 3391 100.00 100.00 6.97e-108 . . . . 19080 1 29 no REF NP_739587 . "Nonstructural protein NS3 [Dengue virus 2]" . . . . . 92.47 618 100.00 100.00 8.00e-114 . . . . 19080 1 30 no SP P07564 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 92.47 3391 97.67 99.42 1.47e-106 . . . . 19080 1 31 no SP P12823 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 92.47 3388 98.26 99.42 7.37e-107 . . . . 19080 1 32 no SP P14337 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 92.47 3391 100.00 100.00 6.97e-108 . . . . 19080 1 33 no SP P14340 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 92.47 3391 100.00 100.00 7.24e-108 . . . . 19080 1 34 no SP P27914 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Envelope protein E; Contains: RecName: Full=Non-structural protein 1;" . . . . . 92.47 1683 98.26 99.42 1.48e-107 . . . . 19080 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'viral protease of DENV2' 19080 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 -12 MET . 19080 1 2 -11 GLY . 19080 1 3 -10 SER . 19080 1 4 -9 SER . 19080 1 5 -8 HIS . 19080 1 6 -7 HIS . 19080 1 7 -6 HIS . 19080 1 8 -5 HIS . 19080 1 9 -4 HIS . 19080 1 10 -3 HIS . 19080 1 11 -2 SER . 19080 1 12 -1 GLN . 19080 1 13 0 ASP . 19080 1 14 13 PRO . 19080 1 15 14 GLY . 19080 1 16 15 LYS . 19080 1 17 16 ALA . 19080 1 18 17 GLU . 19080 1 19 18 LEU . 19080 1 20 19 GLU . 19080 1 21 20 ASP . 19080 1 22 21 GLY . 19080 1 23 22 ALA . 19080 1 24 23 TYR . 19080 1 25 24 ARG . 19080 1 26 25 ILE . 19080 1 27 26 LYS . 19080 1 28 27 GLN . 19080 1 29 28 LYS . 19080 1 30 29 GLY . 19080 1 31 30 ILE . 19080 1 32 31 LEU . 19080 1 33 32 GLY . 19080 1 34 33 TYR . 19080 1 35 34 SER . 19080 1 36 35 GLN . 19080 1 37 36 ILE . 19080 1 38 37 GLY . 19080 1 39 38 ALA . 19080 1 40 39 GLY . 19080 1 41 40 VAL . 19080 1 42 41 TYR . 19080 1 43 42 LYS . 19080 1 44 43 GLU . 19080 1 45 44 GLY . 19080 1 46 45 THR . 19080 1 47 46 PHE . 19080 1 48 47 HIS . 19080 1 49 48 THR . 19080 1 50 49 MET . 19080 1 51 50 TRP . 19080 1 52 51 HIS . 19080 1 53 52 VAL . 19080 1 54 53 THR . 19080 1 55 54 ARG . 19080 1 56 55 GLY . 19080 1 57 56 ALA . 19080 1 58 57 VAL . 19080 1 59 58 LEU . 19080 1 60 59 MET . 19080 1 61 60 HIS . 19080 1 62 61 LYS . 19080 1 63 62 GLY . 19080 1 64 63 LYS . 19080 1 65 64 ARG . 19080 1 66 65 ILE . 19080 1 67 66 GLU . 19080 1 68 67 PRO . 19080 1 69 68 SER . 19080 1 70 69 TRP . 19080 1 71 70 ALA . 19080 1 72 71 ASP . 19080 1 73 72 VAL . 19080 1 74 73 LYS . 19080 1 75 74 LYS . 19080 1 76 75 ASP . 19080 1 77 76 LEU . 19080 1 78 77 ILE . 19080 1 79 78 SER . 19080 1 80 79 TYR . 19080 1 81 80 GLY . 19080 1 82 81 GLY . 19080 1 83 82 GLY . 19080 1 84 83 TRP . 19080 1 85 84 LYS . 19080 1 86 85 LEU . 19080 1 87 86 GLU . 19080 1 88 87 GLY . 19080 1 89 88 GLU . 19080 1 90 89 TRP . 19080 1 91 90 LYS . 19080 1 92 91 GLU . 19080 1 93 92 GLY . 19080 1 94 93 GLU . 19080 1 95 94 GLU . 19080 1 96 95 VAL . 19080 1 97 96 GLN . 19080 1 98 97 VAL . 19080 1 99 98 LEU . 19080 1 100 99 ALA . 19080 1 101 100 LEU . 19080 1 102 101 GLU . 19080 1 103 102 PRO . 19080 1 104 103 GLY . 19080 1 105 104 LYS . 19080 1 106 105 ASN . 19080 1 107 106 PRO . 19080 1 108 107 ARG . 19080 1 109 108 ALA . 19080 1 110 109 VAL . 19080 1 111 110 GLN . 19080 1 112 111 THR . 19080 1 113 112 LYS . 19080 1 114 113 PRO . 19080 1 115 114 GLY . 19080 1 116 115 LEU . 19080 1 117 116 PHE . 19080 1 118 117 LYS . 19080 1 119 118 THR . 19080 1 120 119 ASN . 19080 1 121 120 ALA . 19080 1 122 121 GLY . 19080 1 123 122 THR . 19080 1 124 123 ILE . 19080 1 125 124 GLY . 19080 1 126 125 ALA . 19080 1 127 126 VAL . 19080 1 128 127 SER . 19080 1 129 128 LEU . 19080 1 130 129 ASP . 19080 1 131 130 PHE . 19080 1 132 131 SER . 19080 1 133 132 PRO . 19080 1 134 133 GLY . 19080 1 135 134 THR . 19080 1 136 135 SER . 19080 1 137 136 GLY . 19080 1 138 137 SER . 19080 1 139 138 PRO . 19080 1 140 139 ILE . 19080 1 141 140 ILE . 19080 1 142 141 ASP . 19080 1 143 142 LYS . 19080 1 144 143 LYS . 19080 1 145 144 GLY . 19080 1 146 145 LYS . 19080 1 147 146 VAL . 19080 1 148 147 VAL . 19080 1 149 148 GLY . 19080 1 150 149 LEU . 19080 1 151 150 TYR . 19080 1 152 151 GLY . 19080 1 153 152 ASN . 19080 1 154 153 GLY . 19080 1 155 154 VAL . 19080 1 156 155 VAL . 19080 1 157 156 THR . 19080 1 158 157 ARG . 19080 1 159 158 SER . 19080 1 160 159 GLY . 19080 1 161 160 ALA . 19080 1 162 161 TYR . 19080 1 163 162 VAL . 19080 1 164 163 SER . 19080 1 165 164 ALA . 19080 1 166 165 ILE . 19080 1 167 166 ALA . 19080 1 168 167 GLN . 19080 1 169 168 THR . 19080 1 170 169 GLU . 19080 1 171 170 LYS . 19080 1 172 171 SER . 19080 1 173 172 ILE . 19080 1 174 173 GLU . 19080 1 175 174 ASP . 19080 1 176 175 ASN . 19080 1 177 176 PRO . 19080 1 178 177 GLU . 19080 1 179 178 ILE . 19080 1 180 179 GLU . 19080 1 181 180 ASP . 19080 1 182 181 ASP . 19080 1 183 182 ILE . 19080 1 184 183 PHE . 19080 1 185 184 ARG . 19080 1 186 185 LYS . 19080 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 19080 1 . GLY 2 2 19080 1 . SER 3 3 19080 1 . SER 4 4 19080 1 . HIS 5 5 19080 1 . HIS 6 6 19080 1 . HIS 7 7 19080 1 . HIS 8 8 19080 1 . HIS 9 9 19080 1 . HIS 10 10 19080 1 . SER 11 11 19080 1 . GLN 12 12 19080 1 . ASP 13 13 19080 1 . PRO 14 14 19080 1 . GLY 15 15 19080 1 . LYS 16 16 19080 1 . ALA 17 17 19080 1 . GLU 18 18 19080 1 . LEU 19 19 19080 1 . GLU 20 20 19080 1 . ASP 21 21 19080 1 . GLY 22 22 19080 1 . ALA 23 23 19080 1 . TYR 24 24 19080 1 . ARG 25 25 19080 1 . ILE 26 26 19080 1 . LYS 27 27 19080 1 . GLN 28 28 19080 1 . LYS 29 29 19080 1 . GLY 30 30 19080 1 . ILE 31 31 19080 1 . LEU 32 32 19080 1 . GLY 33 33 19080 1 . TYR 34 34 19080 1 . SER 35 35 19080 1 . GLN 36 36 19080 1 . ILE 37 37 19080 1 . GLY 38 38 19080 1 . ALA 39 39 19080 1 . GLY 40 40 19080 1 . VAL 41 41 19080 1 . TYR 42 42 19080 1 . LYS 43 43 19080 1 . GLU 44 44 19080 1 . GLY 45 45 19080 1 . THR 46 46 19080 1 . PHE 47 47 19080 1 . HIS 48 48 19080 1 . THR 49 49 19080 1 . MET 50 50 19080 1 . TRP 51 51 19080 1 . HIS 52 52 19080 1 . VAL 53 53 19080 1 . THR 54 54 19080 1 . ARG 55 55 19080 1 . GLY 56 56 19080 1 . ALA 57 57 19080 1 . VAL 58 58 19080 1 . LEU 59 59 19080 1 . MET 60 60 19080 1 . HIS 61 61 19080 1 . LYS 62 62 19080 1 . GLY 63 63 19080 1 . LYS 64 64 19080 1 . ARG 65 65 19080 1 . ILE 66 66 19080 1 . GLU 67 67 19080 1 . PRO 68 68 19080 1 . SER 69 69 19080 1 . TRP 70 70 19080 1 . ALA 71 71 19080 1 . ASP 72 72 19080 1 . VAL 73 73 19080 1 . LYS 74 74 19080 1 . LYS 75 75 19080 1 . ASP 76 76 19080 1 . LEU 77 77 19080 1 . ILE 78 78 19080 1 . SER 79 79 19080 1 . TYR 80 80 19080 1 . GLY 81 81 19080 1 . GLY 82 82 19080 1 . GLY 83 83 19080 1 . TRP 84 84 19080 1 . LYS 85 85 19080 1 . LEU 86 86 19080 1 . GLU 87 87 19080 1 . GLY 88 88 19080 1 . GLU 89 89 19080 1 . TRP 90 90 19080 1 . LYS 91 91 19080 1 . GLU 92 92 19080 1 . GLY 93 93 19080 1 . GLU 94 94 19080 1 . GLU 95 95 19080 1 . VAL 96 96 19080 1 . GLN 97 97 19080 1 . VAL 98 98 19080 1 . LEU 99 99 19080 1 . ALA 100 100 19080 1 . LEU 101 101 19080 1 . GLU 102 102 19080 1 . PRO 103 103 19080 1 . GLY 104 104 19080 1 . LYS 105 105 19080 1 . ASN 106 106 19080 1 . PRO 107 107 19080 1 . ARG 108 108 19080 1 . ALA 109 109 19080 1 . VAL 110 110 19080 1 . GLN 111 111 19080 1 . THR 112 112 19080 1 . LYS 113 113 19080 1 . PRO 114 114 19080 1 . GLY 115 115 19080 1 . LEU 116 116 19080 1 . PHE 117 117 19080 1 . LYS 118 118 19080 1 . THR 119 119 19080 1 . ASN 120 120 19080 1 . ALA 121 121 19080 1 . GLY 122 122 19080 1 . THR 123 123 19080 1 . ILE 124 124 19080 1 . GLY 125 125 19080 1 . ALA 126 126 19080 1 . VAL 127 127 19080 1 . SER 128 128 19080 1 . LEU 129 129 19080 1 . ASP 130 130 19080 1 . PHE 131 131 19080 1 . SER 132 132 19080 1 . PRO 133 133 19080 1 . GLY 134 134 19080 1 . THR 135 135 19080 1 . SER 136 136 19080 1 . GLY 137 137 19080 1 . SER 138 138 19080 1 . PRO 139 139 19080 1 . ILE 140 140 19080 1 . ILE 141 141 19080 1 . ASP 142 142 19080 1 . LYS 143 143 19080 1 . LYS 144 144 19080 1 . GLY 145 145 19080 1 . LYS 146 146 19080 1 . VAL 147 147 19080 1 . VAL 148 148 19080 1 . GLY 149 149 19080 1 . LEU 150 150 19080 1 . TYR 151 151 19080 1 . GLY 152 152 19080 1 . ASN 153 153 19080 1 . GLY 154 154 19080 1 . VAL 155 155 19080 1 . VAL 156 156 19080 1 . THR 157 157 19080 1 . ARG 158 158 19080 1 . SER 159 159 19080 1 . GLY 160 160 19080 1 . ALA 161 161 19080 1 . TYR 162 162 19080 1 . VAL 163 163 19080 1 . SER 164 164 19080 1 . ALA 165 165 19080 1 . ILE 166 166 19080 1 . ALA 167 167 19080 1 . GLN 168 168 19080 1 . THR 169 169 19080 1 . GLU 170 170 19080 1 . LYS 171 171 19080 1 . SER 172 172 19080 1 . ILE 173 173 19080 1 . GLU 174 174 19080 1 . ASP 175 175 19080 1 . ASN 176 176 19080 1 . PRO 177 177 19080 1 . GLU 178 178 19080 1 . ILE 179 179 19080 1 . GLU 180 180 19080 1 . ASP 181 181 19080 1 . ASP 182 182 19080 1 . ILE 183 183 19080 1 . PHE 184 184 19080 1 . ARG 185 185 19080 1 . LYS 186 186 19080 1 stop_ save_ save_NS2B _Entity.Sf_category entity _Entity.Sf_framecode NS2B _Entity.Entry_ID 19080 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name NS2B _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MSADLELERAADVKWEDQAE ISGSSPILSITISEDGSMSI KNEEEEQTLTILIR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details '53aa From 48S to 100R of DENV2' _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 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5849.4 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-29 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 19305 . entity_1 . . . . . 88.89 240 97.92 100.00 3.18e-21 . . . . 19080 2 2 no BMRB 19306 . entity_1 . . . . . 88.89 244 97.92 100.00 3.14e-21 . . . . 19080 2 3 no PDB 2M9P . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 88.89 240 97.92 100.00 3.18e-21 . . . . 19080 2 4 no PDB 2M9Q . "Nmr Structure Of An Inhibitor Bound Dengue Ns3 Protease" . . . . . 88.89 240 97.92 100.00 3.18e-21 . . . . 19080 2 5 no DBJ BAD36758 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.81e-23 . . . . 19080 2 6 no DBJ BAD36759 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.81e-23 . . . . 19080 2 7 no DBJ BAD36760 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.81e-23 . . . . 19080 2 8 no DBJ BAJ05336 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 98.11 98.11 7.57e-23 . . . . 19080 2 9 no EMBL CAA28968 . "unnamed protein product [Dengue virus 2]" . . . . . 98.15 120 100.00 100.00 5.30e-26 . . . . 19080 2 10 no EMBL CAD31751 . "DEN2 polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.86e-23 . . . . 19080 2 11 no EMBL CAR65133 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 98.11 98.11 8.25e-23 . . . . 19080 2 12 no EMBL CAR65135 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 98.11 98.11 8.25e-23 . . . . 19080 2 13 no EMBL CAR65136 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 98.11 98.11 7.79e-23 . . . . 19080 2 14 no GB AAA42941 . "viral polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.93e-23 . . . . 19080 2 15 no GB AAA42942 . "polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.95e-23 . . . . 19080 2 16 no GB AAA66406 . "nonstructural protein 1, partial [Dengue virus 2]" . . . . . 98.15 886 100.00 100.00 8.28e-24 . . . . 19080 2 17 no GB AAA73185 . "nonstructural protein 5 [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 2.01e-23 . . . . 19080 2 18 no GB AAA73186 . "nonstructural protein 5 [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 2.03e-23 . . . . 19080 2 19 no PRF 1301272A . "protein 1" . . . . . 98.15 885 100.00 100.00 9.39e-24 . . . . 19080 2 20 no REF NP_056776 . "Polyprotein [Dengue virus 2]" . . . . . 98.15 3391 100.00 100.00 1.88e-23 . . . . 19080 2 21 no REF NP_739586 . "Nonstructural protein NS2B [Dengue virus 2]" . . . . . 98.15 130 100.00 100.00 5.00e-26 . . . . 19080 2 22 no SP P07564 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 98.15 3391 100.00 100.00 1.95e-23 . . . . 19080 2 23 no SP P14337 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 98.15 3391 100.00 100.00 1.86e-23 . . . . 19080 2 24 no SP P14340 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 98.15 3391 100.00 100.00 1.93e-23 . . . . 19080 2 25 no SP P29990 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 98.15 3391 100.00 100.00 2.01e-23 . . . . 19080 2 26 no SP P29991 . "RecName: Full=Genome polyprotein; Contains: RecName: Full=Capsid protein C; AltName: Full=Core protein; Contains: RecName: Full" . . . . . 98.15 3391 100.00 100.00 2.03e-23 . . . . 19080 2 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'NS2B cofactor region of NS2B-NS3pro complex' 19080 2 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 0 MET . 19080 2 2 48 SER . 19080 2 3 49 ALA . 19080 2 4 50 ASP . 19080 2 5 51 LEU . 19080 2 6 52 GLU . 19080 2 7 53 LEU . 19080 2 8 54 GLU . 19080 2 9 55 ARG . 19080 2 10 56 ALA . 19080 2 11 57 ALA . 19080 2 12 58 ASP . 19080 2 13 59 VAL . 19080 2 14 60 LYS . 19080 2 15 61 TRP . 19080 2 16 62 GLU . 19080 2 17 63 ASP . 19080 2 18 64 GLN . 19080 2 19 65 ALA . 19080 2 20 66 GLU . 19080 2 21 67 ILE . 19080 2 22 68 SER . 19080 2 23 69 GLY . 19080 2 24 70 SER . 19080 2 25 71 SER . 19080 2 26 72 PRO . 19080 2 27 73 ILE . 19080 2 28 74 LEU . 19080 2 29 75 SER . 19080 2 30 76 ILE . 19080 2 31 77 THR . 19080 2 32 78 ILE . 19080 2 33 79 SER . 19080 2 34 80 GLU . 19080 2 35 81 ASP . 19080 2 36 82 GLY . 19080 2 37 83 SER . 19080 2 38 84 MET . 19080 2 39 85 SER . 19080 2 40 86 ILE . 19080 2 41 87 LYS . 19080 2 42 88 ASN . 19080 2 43 89 GLU . 19080 2 44 90 GLU . 19080 2 45 91 GLU . 19080 2 46 92 GLU . 19080 2 47 93 GLN . 19080 2 48 94 THR . 19080 2 49 95 LEU . 19080 2 50 96 THR . 19080 2 51 97 ILE . 19080 2 52 98 LEU . 19080 2 53 99 ILE . 19080 2 54 100 ARG . 19080 2 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 19080 2 . SER 2 2 19080 2 . ALA 3 3 19080 2 . ASP 4 4 19080 2 . LEU 5 5 19080 2 . GLU 6 6 19080 2 . LEU 7 7 19080 2 . GLU 8 8 19080 2 . ARG 9 9 19080 2 . ALA 10 10 19080 2 . ALA 11 11 19080 2 . ASP 12 12 19080 2 . VAL 13 13 19080 2 . LYS 14 14 19080 2 . TRP 15 15 19080 2 . GLU 16 16 19080 2 . ASP 17 17 19080 2 . GLN 18 18 19080 2 . ALA 19 19 19080 2 . GLU 20 20 19080 2 . ILE 21 21 19080 2 . SER 22 22 19080 2 . GLY 23 23 19080 2 . SER 24 24 19080 2 . SER 25 25 19080 2 . PRO 26 26 19080 2 . ILE 27 27 19080 2 . LEU 28 28 19080 2 . SER 29 29 19080 2 . ILE 30 30 19080 2 . THR 31 31 19080 2 . ILE 32 32 19080 2 . SER 33 33 19080 2 . GLU 34 34 19080 2 . ASP 35 35 19080 2 . GLY 36 36 19080 2 . SER 37 37 19080 2 . MET 38 38 19080 2 . SER 39 39 19080 2 . ILE 40 40 19080 2 . LYS 41 41 19080 2 . ASN 42 42 19080 2 . GLU 43 43 19080 2 . GLU 44 44 19080 2 . GLU 45 45 19080 2 . GLU 46 46 19080 2 . GLN 47 47 19080 2 . THR 48 48 19080 2 . LEU 49 49 19080 2 . THR 50 50 19080 2 . ILE 51 51 19080 2 . LEU 52 52 19080 2 . ILE 53 53 19080 2 . ARG 54 54 19080 2 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 19080 _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 $NS3pro . 12637 virus . 'Dengue virus' 'Dengue virus' . . Viruses . Dengue virus . . . . . . . . . . . . . . . . . . 'Flavivirus Dengue virus 2, Taxonomy ID: 12637' . . 19080 1 2 2 $NS2B . 12637 virus . 'Dengue virus' 'Dengue virus' . . Viruses . Dengue virus . . . . . . . . . . . . . . . . . . 'Flavivirus Dengue virus 2, Taxonomy ID: 12637' . . 19080 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 19080 _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 2 $NS2B . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pAYCDUET . . . 'no tag' . . 19080 1 2 1 $NS3pro . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETDUET . . . N-Histag . . 19080 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19080 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'HEPES 20 mM ; 2mM DTT;NS2B-NS3, [U-100% 13C; U-100% 15N], 0.43 mM' _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 HEPES 'natural abundance' . . . . . . 20 . . mM . . . . 19080 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 19080 1 3 NS3pro '[U-100% 13C; U-100% 15N]' . . 1 $NS3pro . . 0.43 . . mM . . . . 19080 1 4 NS2B '[U-100% 13C; U-100% 15N]' . . 2 $NS2B . . 0.43 . . mM . . . . 19080 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19080 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.02 . M 19080 1 pH 7.3 . pH 19080 1 pressure 1 . atm 19080 1 temperature 298 . K 19080 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19080 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19080 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19080 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19080 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19080 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19080 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19080 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19080 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19080 3 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 19080 _Software.ID 4 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 19080 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19080 4 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 19080 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19080 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 19080 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 19080 1 2 spectrometer_2 Bruker Avance . 700 . . . 19080 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 19080 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 4 '3D HCACO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19080 1 8 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19080 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 19080 _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 internal indirect 0.251449530 . . . . . . . . . 19080 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19080 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 internal indirect 0.101329118 . . . . . . . . . 19080 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 19080 _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' . . . 19080 1 2 '3D 1H-15N NOESY' . . . 19080 1 3 '3D HNCO' . . . 19080 1 4 '3D HCACO' . . . 19080 1 5 '3D HNCA' . . . 19080 1 6 '3D HN(CO)CA' . . . 19080 1 7 '3D HNCACB' . . . 19080 1 8 '3D HNHA' . . . 19080 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 . 2 2 2 2 SER H H 1 8.294 0.020 . 1 . . . . 48 SER H . 19080 1 2 . 2 2 2 2 SER HA H 1 4.570 0.020 . 1 . . . . 48 SER HA . 19080 1 3 . 2 2 2 2 SER C C 13 174.145 0.400 . 1 . . . . 48 SER C . 19080 1 4 . 2 2 2 2 SER CA C 13 57.697 0.400 . 1 . . . . 48 SER CA . 19080 1 5 . 2 2 2 2 SER CB C 13 63.822 0.400 . 1 . . . . 48 SER CB . 19080 1 6 . 2 2 2 2 SER N N 15 117.151 0.400 . 1 . . . . 48 SER N . 19080 1 7 . 2 2 3 3 ALA H H 1 8.341 0.020 . 1 . . . . 49 ALA H . 19080 1 8 . 2 2 3 3 ALA HA H 1 4.334 0.020 . 1 . . . . 49 ALA HA . 19080 1 9 . 2 2 3 3 ALA HB1 H 1 1.385 0.020 . 1 . . . . 49 ALA HB . 19080 1 10 . 2 2 3 3 ALA HB2 H 1 1.385 0.020 . 1 . . . . 49 ALA HB . 19080 1 11 . 2 2 3 3 ALA HB3 H 1 1.385 0.020 . 1 . . . . 49 ALA HB . 19080 1 12 . 2 2 3 3 ALA C C 13 176.491 0.400 . 1 . . . . 49 ALA C . 19080 1 13 . 2 2 3 3 ALA CA C 13 51.436 0.400 . 1 . . . . 49 ALA CA . 19080 1 14 . 2 2 3 3 ALA CB C 13 18.946 0.400 . 1 . . . . 49 ALA CB . 19080 1 15 . 2 2 3 3 ALA N N 15 125.847 0.400 . 1 . . . . 49 ALA N . 19080 1 16 . 2 2 4 4 ASP H H 1 8.311 0.020 . 1 . . . . 50 ASP H . 19080 1 17 . 2 2 4 4 ASP C C 13 176.789 0.400 . 1 . . . . 50 ASP C . 19080 1 18 . 2 2 4 4 ASP CA C 13 54.314 0.400 . 1 . . . . 50 ASP CA . 19080 1 19 . 2 2 4 4 ASP CB C 13 41.070 0.400 . 1 . . . . 50 ASP CB . 19080 1 20 . 2 2 4 4 ASP N N 15 120.776 0.400 . 1 . . . . 50 ASP N . 19080 1 21 . 2 2 5 5 LEU H H 1 8.127 0.020 . 1 . . . . 51 LEU H . 19080 1 22 . 2 2 5 5 LEU CA C 13 55.041 0.400 . 1 . . . . 51 LEU CA . 19080 1 23 . 2 2 5 5 LEU CB C 13 40.989 0.400 . 1 . . . . 51 LEU CB . 19080 1 24 . 2 2 5 5 LEU N N 15 121.955 0.400 . 1 . . . . 51 LEU N . 19080 1 25 . 2 2 6 6 GLU H H 1 8.199 0.020 . 1 . . . . 52 GLU H . 19080 1 26 . 2 2 6 6 GLU C C 13 176.319 0.400 . 1 . . . . 52 GLU C . 19080 1 27 . 2 2 6 6 GLU CB C 13 28.906 0.400 . 1 . . . . 52 GLU CB . 19080 1 28 . 2 2 6 6 GLU N N 15 120.993 0.400 . 1 . . . . 52 GLU N . 19080 1 29 . 2 2 7 7 LEU C C 13 177.475 0.400 . 1 . . . . 53 LEU C . 19080 1 30 . 2 2 7 7 LEU CA C 13 52.872 0.400 . 1 . . . . 53 LEU CA . 19080 1 31 . 2 2 7 7 LEU CB C 13 43.711 0.400 . 1 . . . . 53 LEU CB . 19080 1 32 . 2 2 8 8 GLU H H 1 8.583 0.020 . 1 . . . . 54 GLU H . 19080 1 33 . 2 2 8 8 GLU C C 13 174.454 0.400 . 1 . . . . 54 GLU C . 19080 1 34 . 2 2 8 8 GLU CA C 13 54.586 0.400 . 1 . . . . 54 GLU CA . 19080 1 35 . 2 2 8 8 GLU CB C 13 33.853 0.400 . 1 . . . . 54 GLU CB . 19080 1 36 . 2 2 8 8 GLU N N 15 120.447 0.400 . 1 . . . . 54 GLU N . 19080 1 37 . 2 2 9 9 ARG H H 1 9.530 0.020 . 1 . . . . 55 ARG H . 19080 1 38 . 2 2 9 9 ARG HA H 1 4.715 0.020 . 1 . . . . 55 ARG HA . 19080 1 39 . 2 2 9 9 ARG C C 13 175.167 0.400 . 1 . . . . 55 ARG C . 19080 1 40 . 2 2 9 9 ARG CA C 13 58.618 0.400 . 1 . . . . 55 ARG CA . 19080 1 41 . 2 2 9 9 ARG CB C 13 27.544 0.400 . 1 . . . . 55 ARG CB . 19080 1 42 . 2 2 9 9 ARG N N 15 132.067 0.400 . 1 . . . . 55 ARG N . 19080 1 43 . 2 2 10 10 ALA H H 1 9.034 0.020 . 1 . . . . 56 ALA H . 19080 1 44 . 2 2 10 10 ALA HA H 1 4.722 0.020 . 1 . . . . 56 ALA HA . 19080 1 45 . 2 2 10 10 ALA HB1 H 1 1.314 0.020 . 1 . . . . 56 ALA HB . 19080 1 46 . 2 2 10 10 ALA HB2 H 1 1.314 0.020 . 1 . . . . 56 ALA HB . 19080 1 47 . 2 2 10 10 ALA HB3 H 1 1.314 0.020 . 1 . . . . 56 ALA HB . 19080 1 48 . 2 2 10 10 ALA C C 13 176.289 0.400 . 1 . . . . 56 ALA C . 19080 1 49 . 2 2 10 10 ALA CA C 13 51.717 0.400 . 1 . . . . 56 ALA CA . 19080 1 50 . 2 2 10 10 ALA CB C 13 23.203 0.400 . 1 . . . . 56 ALA CB . 19080 1 51 . 2 2 10 10 ALA N N 15 126.831 0.400 . 1 . . . . 56 ALA N . 19080 1 52 . 2 2 11 11 ALA H H 1 7.624 0.020 . 1 . . . . 57 ALA H . 19080 1 53 . 2 2 11 11 ALA HA H 1 4.673 0.020 . 1 . . . . 57 ALA HA . 19080 1 54 . 2 2 11 11 ALA HB1 H 1 1.313 0.020 . 1 . . . . 57 ALA HB . 19080 1 55 . 2 2 11 11 ALA HB2 H 1 1.313 0.020 . 1 . . . . 57 ALA HB . 19080 1 56 . 2 2 11 11 ALA HB3 H 1 1.313 0.020 . 1 . . . . 57 ALA HB . 19080 1 57 . 2 2 11 11 ALA C C 13 175.245 0.400 . 1 . . . . 57 ALA C . 19080 1 58 . 2 2 11 11 ALA CA C 13 51.515 0.400 . 1 . . . . 57 ALA CA . 19080 1 59 . 2 2 11 11 ALA CB C 13 22.139 0.400 . 1 . . . . 57 ALA CB . 19080 1 60 . 2 2 11 11 ALA N N 15 116.076 0.400 . 1 . . . . 57 ALA N . 19080 1 61 . 2 2 12 12 ASP H H 1 8.555 0.020 . 1 . . . . 58 ASP H . 19080 1 62 . 2 2 12 12 ASP HA H 1 4.636 0.020 . 1 . . . . 58 ASP HA . 19080 1 63 . 2 2 12 12 ASP HB2 H 1 2.598 0.020 . 2 . . . . 58 ASP HB2 . 19080 1 64 . 2 2 12 12 ASP HB3 H 1 2.380 0.020 . 2 . . . . 58 ASP HB3 . 19080 1 65 . 2 2 12 12 ASP C C 13 175.327 0.400 . 1 . . . . 58 ASP C . 19080 1 66 . 2 2 12 12 ASP CA C 13 53.538 0.400 . 1 . . . . 58 ASP CA . 19080 1 67 . 2 2 12 12 ASP CB C 13 40.904 0.400 . 1 . . . . 58 ASP CB . 19080 1 68 . 2 2 12 12 ASP N N 15 119.763 0.400 . 1 . . . . 58 ASP N . 19080 1 69 . 2 2 13 13 VAL H H 1 8.869 0.020 . 1 . . . . 59 VAL H . 19080 1 70 . 2 2 13 13 VAL HA H 1 3.740 0.020 . 1 . . . . 59 VAL HA . 19080 1 71 . 2 2 13 13 VAL HG11 H 1 0.848 0.020 . 2 . . . . 59 VAL HG1 . 19080 1 72 . 2 2 13 13 VAL HG12 H 1 0.848 0.020 . 2 . . . . 59 VAL HG1 . 19080 1 73 . 2 2 13 13 VAL HG13 H 1 0.848 0.020 . 2 . . . . 59 VAL HG1 . 19080 1 74 . 2 2 13 13 VAL HG21 H 1 0.825 0.020 . 2 . . . . 59 VAL HG2 . 19080 1 75 . 2 2 13 13 VAL HG22 H 1 0.825 0.020 . 2 . . . . 59 VAL HG2 . 19080 1 76 . 2 2 13 13 VAL HG23 H 1 0.825 0.020 . 2 . . . . 59 VAL HG2 . 19080 1 77 . 2 2 13 13 VAL C C 13 174.080 0.400 . 1 . . . . 59 VAL C . 19080 1 78 . 2 2 13 13 VAL CA C 13 62.662 0.400 . 1 . . . . 59 VAL CA . 19080 1 79 . 2 2 13 13 VAL CB C 13 29.831 0.400 . 1 . . . . 59 VAL CB . 19080 1 80 . 2 2 13 13 VAL N N 15 121.003 0.400 . 1 . . . . 59 VAL N . 19080 1 81 . 2 2 14 14 LYS H H 1 7.066 0.020 . 1 . . . . 60 LYS H . 19080 1 82 . 2 2 14 14 LYS HA H 1 4.216 0.020 . 1 . . . . 60 LYS HA . 19080 1 83 . 2 2 14 14 LYS HB2 H 1 1.979 0.020 . 2 . . . . 60 LYS HB2 . 19080 1 84 . 2 2 14 14 LYS HB3 H 1 1.979 0.020 . 2 . . . . 60 LYS HB3 . 19080 1 85 . 2 2 14 14 LYS HG2 H 1 1.252 0.020 . 2 . . . . 60 LYS HG2 . 19080 1 86 . 2 2 14 14 LYS HG3 H 1 1.252 0.020 . 2 . . . . 60 LYS HG3 . 19080 1 87 . 2 2 14 14 LYS HD2 H 1 1.693 0.020 . 2 . . . . 60 LYS HD2 . 19080 1 88 . 2 2 14 14 LYS HD3 H 1 1.693 0.020 . 2 . . . . 60 LYS HD3 . 19080 1 89 . 2 2 14 14 LYS HE2 H 1 2.976 0.020 . 2 . . . . 60 LYS HE2 . 19080 1 90 . 2 2 14 14 LYS HE3 H 1 2.976 0.020 . 2 . . . . 60 LYS HE3 . 19080 1 91 . 2 2 14 14 LYS C C 13 172.734 0.400 . 1 . . . . 60 LYS C . 19080 1 92 . 2 2 14 14 LYS CA C 13 54.320 0.400 . 1 . . . . 60 LYS CA . 19080 1 93 . 2 2 14 14 LYS CB C 13 33.448 0.400 . 1 . . . . 60 LYS CB . 19080 1 94 . 2 2 14 14 LYS N N 15 124.220 0.400 . 1 . . . . 60 LYS N . 19080 1 95 . 2 2 15 15 TRP H H 1 8.813 0.020 . 1 . . . . 61 TRP H . 19080 1 96 . 2 2 15 15 TRP HA H 1 4.512 0.020 . 1 . . . . 61 TRP HA . 19080 1 97 . 2 2 15 15 TRP HB2 H 1 2.969 0.020 . 2 . . . . 61 TRP HB2 . 19080 1 98 . 2 2 15 15 TRP HB3 H 1 2.969 0.020 . 2 . . . . 61 TRP HB3 . 19080 1 99 . 2 2 15 15 TRP HD1 H 1 7.389 0.020 . 1 . . . . 61 TRP HD1 . 19080 1 100 . 2 2 15 15 TRP HE1 H 1 10.096 0.020 . 1 . . . . 61 TRP HE1 . 19080 1 101 . 2 2 15 15 TRP HE3 H 1 7.170 0.020 . 1 . . . . 61 TRP HE3 . 19080 1 102 . 2 2 15 15 TRP HH2 H 1 6.948 0.020 . 1 . . . . 61 TRP HH2 . 19080 1 103 . 2 2 15 15 TRP C C 13 175.531 0.400 . 1 . . . . 61 TRP C . 19080 1 104 . 2 2 15 15 TRP CA C 13 56.902 0.400 . 1 . . . . 61 TRP CA . 19080 1 105 . 2 2 15 15 TRP CB C 13 29.016 0.400 . 1 . . . . 61 TRP CB . 19080 1 106 . 2 2 15 15 TRP N N 15 122.748 0.400 . 1 . . . . 61 TRP N . 19080 1 107 . 2 2 15 15 TRP NE1 N 15 129.771 0.400 . 1 . . . . 61 TRP NE1 . 19080 1 108 . 2 2 16 16 GLU H H 1 9.206 0.020 . 1 . . . . 62 GLU H . 19080 1 109 . 2 2 16 16 GLU HA H 1 4.228 0.020 . 1 . . . . 62 GLU HA . 19080 1 110 . 2 2 16 16 GLU HB2 H 1 2.129 0.020 . 2 . . . . 62 GLU HB2 . 19080 1 111 . 2 2 16 16 GLU HB3 H 1 2.129 0.020 . 2 . . . . 62 GLU HB3 . 19080 1 112 . 2 2 16 16 GLU C C 13 176.084 0.400 . 1 . . . . 62 GLU C . 19080 1 113 . 2 2 16 16 GLU CA C 13 54.158 0.400 . 1 . . . . 62 GLU CA . 19080 1 114 . 2 2 16 16 GLU CB C 13 29.581 0.400 . 1 . . . . 62 GLU CB . 19080 1 115 . 2 2 16 16 GLU N N 15 131.844 0.400 . 1 . . . . 62 GLU N . 19080 1 116 . 2 2 17 17 ASP H H 1 8.731 0.020 . 1 . . . . 63 ASP H . 19080 1 117 . 2 2 17 17 ASP HB2 H 1 2.699 0.020 . 2 . . . . 63 ASP HB2 . 19080 1 118 . 2 2 17 17 ASP HB3 H 1 2.699 0.020 . 2 . . . . 63 ASP HB3 . 19080 1 119 . 2 2 17 17 ASP C C 13 176.572 0.400 . 1 . . . . 63 ASP C . 19080 1 120 . 2 2 17 17 ASP CA C 13 56.249 0.400 . 1 . . . . 63 ASP CA . 19080 1 121 . 2 2 17 17 ASP CB C 13 40.407 0.400 . 1 . . . . 63 ASP CB . 19080 1 122 . 2 2 17 17 ASP N N 15 126.322 0.400 . 1 . . . . 63 ASP N . 19080 1 123 . 2 2 18 18 GLN H H 1 8.716 0.020 . 1 . . . . 64 GLN H . 19080 1 124 . 2 2 18 18 GLN HA H 1 4.422 0.020 . 1 . . . . 64 GLN HA . 19080 1 125 . 2 2 18 18 GLN HB2 H 1 1.991 0.020 . 2 . . . . 64 GLN HB2 . 19080 1 126 . 2 2 18 18 GLN HB3 H 1 1.991 0.020 . 2 . . . . 64 GLN HB3 . 19080 1 127 . 2 2 18 18 GLN HG2 H 1 2.235 0.020 . 2 . . . . 64 GLN HG2 . 19080 1 128 . 2 2 18 18 GLN HG3 H 1 2.235 0.020 . 2 . . . . 64 GLN HG3 . 19080 1 129 . 2 2 18 18 GLN HE21 H 1 7.555 0.020 . 2 . . . . 64 GLN HE21 . 19080 1 130 . 2 2 18 18 GLN HE22 H 1 6.811 0.020 . 2 . . . . 64 GLN HE22 . 19080 1 131 . 2 2 18 18 GLN C C 13 174.488 0.400 . 1 . . . . 64 GLN C . 19080 1 132 . 2 2 18 18 GLN CA C 13 54.452 0.400 . 1 . . . . 64 GLN CA . 19080 1 133 . 2 2 18 18 GLN CB C 13 27.074 0.400 . 1 . . . . 64 GLN CB . 19080 1 134 . 2 2 18 18 GLN CG C 13 33.428 0.400 . 1 . . . . 64 GLN CG . 19080 1 135 . 2 2 18 18 GLN N N 15 117.756 0.400 . 1 . . . . 64 GLN N . 19080 1 136 . 2 2 18 18 GLN NE2 N 15 112.630 0.400 . 1 . . . . 64 GLN NE2 . 19080 1 137 . 2 2 19 19 ALA H H 1 7.368 0.020 . 1 . . . . 65 ALA H . 19080 1 138 . 2 2 19 19 ALA HA H 1 4.246 0.020 . 1 . . . . 65 ALA HA . 19080 1 139 . 2 2 19 19 ALA HB1 H 1 1.018 0.020 . 1 . . . . 65 ALA HB . 19080 1 140 . 2 2 19 19 ALA HB2 H 1 1.018 0.020 . 1 . . . . 65 ALA HB . 19080 1 141 . 2 2 19 19 ALA HB3 H 1 1.018 0.020 . 1 . . . . 65 ALA HB . 19080 1 142 . 2 2 19 19 ALA C C 13 177.157 0.400 . 1 . . . . 65 ALA C . 19080 1 143 . 2 2 19 19 ALA CA C 13 51.450 0.400 . 1 . . . . 65 ALA CA . 19080 1 144 . 2 2 19 19 ALA CB C 13 19.812 0.400 . 1 . . . . 65 ALA CB . 19080 1 145 . 2 2 19 19 ALA N N 15 123.209 0.400 . 1 . . . . 65 ALA N . 19080 1 146 . 2 2 20 20 GLU H H 1 8.044 0.020 . 1 . . . . 66 GLU H . 19080 1 147 . 2 2 20 20 GLU C C 13 176.221 0.400 . 1 . . . . 66 GLU C . 19080 1 148 . 2 2 20 20 GLU CA C 13 55.780 0.400 . 1 . . . . 66 GLU CA . 19080 1 149 . 2 2 20 20 GLU CB C 13 29.775 0.400 . 1 . . . . 66 GLU CB . 19080 1 150 . 2 2 20 20 GLU N N 15 120.946 0.400 . 1 . . . . 66 GLU N . 19080 1 151 . 2 2 21 21 ILE H H 1 8.281 0.020 . 1 . . . . 67 ILE H . 19080 1 152 . 2 2 21 21 ILE C C 13 174.097 0.400 . 1 . . . . 67 ILE C . 19080 1 153 . 2 2 21 21 ILE CA C 13 57.221 0.400 . 1 . . . . 67 ILE CA . 19080 1 154 . 2 2 21 21 ILE CB C 13 38.203 0.400 . 1 . . . . 67 ILE CB . 19080 1 155 . 2 2 21 21 ILE N N 15 123.849 0.400 . 1 . . . . 67 ILE N . 19080 1 156 . 2 2 22 22 SER H H 1 8.147 0.020 . 1 . . . . 68 SER H . 19080 1 157 . 2 2 22 22 SER C C 13 175.126 0.400 . 1 . . . . 68 SER C . 19080 1 158 . 2 2 22 22 SER CA C 13 58.220 0.400 . 1 . . . . 68 SER CA . 19080 1 159 . 2 2 22 22 SER CB C 13 63.472 0.400 . 1 . . . . 68 SER CB . 19080 1 160 . 2 2 22 22 SER N N 15 122.612 0.400 . 1 . . . . 68 SER N . 19080 1 161 . 2 2 23 23 GLY H H 1 8.400 0.020 . 1 . . . . 69 GLY H . 19080 1 162 . 2 2 23 23 GLY C C 13 174.044 0.400 . 1 . . . . 69 GLY C . 19080 1 163 . 2 2 23 23 GLY CA C 13 44.785 0.400 . 1 . . . . 69 GLY CA . 19080 1 164 . 2 2 23 23 GLY N N 15 110.942 0.400 . 1 . . . . 69 GLY N . 19080 1 165 . 2 2 24 24 SER H H 1 7.880 0.020 . 1 . . . . 70 SER H . 19080 1 166 . 2 2 24 24 SER HA H 1 4.336 0.020 . 1 . . . . 70 SER HA . 19080 1 167 . 2 2 24 24 SER CA C 13 59.150 0.400 . 1 . . . . 70 SER CA . 19080 1 168 . 2 2 24 24 SER CB C 13 62.138 0.400 . 1 . . . . 70 SER CB . 19080 1 169 . 2 2 24 24 SER N N 15 115.497 0.400 . 1 . . . . 70 SER N . 19080 1 170 . 2 2 25 25 SER H H 1 8.390 0.020 . 1 . . . . 71 SER H . 19080 1 171 . 2 2 25 25 SER N N 15 113.180 0.400 . 1 . . . . 71 SER N . 19080 1 172 . 2 2 26 26 PRO C C 13 176.555 0.400 . 1 . . . . 72 PRO C . 19080 1 173 . 2 2 26 26 PRO CA C 13 62.814 0.400 . 1 . . . . 72 PRO CA . 19080 1 174 . 2 2 27 27 ILE H H 1 8.205 0.020 . 1 . . . . 73 ILE H . 19080 1 175 . 2 2 27 27 ILE HA H 1 4.132 0.020 . 1 . . . . 73 ILE HA . 19080 1 176 . 2 2 27 27 ILE C C 13 175.924 0.400 . 1 . . . . 73 ILE C . 19080 1 177 . 2 2 27 27 ILE CA C 13 60.668 0.400 . 1 . . . . 73 ILE CA . 19080 1 178 . 2 2 27 27 ILE CB C 13 37.423 0.400 . 1 . . . . 73 ILE CB . 19080 1 179 . 2 2 27 27 ILE N N 15 121.077 0.400 . 1 . . . . 73 ILE N . 19080 1 180 . 2 2 28 28 LEU HB2 H 1 1.573 0.020 . 2 . . . . 74 LEU HB2 . 19080 1 181 . 2 2 28 28 LEU HB3 H 1 1.573 0.020 . 2 . . . . 74 LEU HB3 . 19080 1 182 . 2 2 28 28 LEU HD11 H 1 0.943 0.020 . 2 . . . . 74 LEU HD1 . 19080 1 183 . 2 2 28 28 LEU HD12 H 1 0.943 0.020 . 2 . . . . 74 LEU HD1 . 19080 1 184 . 2 2 28 28 LEU HD13 H 1 0.943 0.020 . 2 . . . . 74 LEU HD1 . 19080 1 185 . 2 2 28 28 LEU HD21 H 1 0.943 0.020 . 2 . . . . 74 LEU HD2 . 19080 1 186 . 2 2 28 28 LEU HD22 H 1 0.943 0.020 . 2 . . . . 74 LEU HD2 . 19080 1 187 . 2 2 28 28 LEU HD23 H 1 0.943 0.020 . 2 . . . . 74 LEU HD2 . 19080 1 188 . 2 2 28 28 LEU C C 13 175.483 0.400 . 1 . . . . 74 LEU C . 19080 1 189 . 2 2 28 28 LEU CA C 13 53.297 0.400 . 1 . . . . 74 LEU CA . 19080 1 190 . 2 2 29 29 SER H H 1 8.891 0.020 . 1 . . . . 75 SER H . 19080 1 191 . 2 2 29 29 SER HA H 1 4.932 0.020 . 1 . . . . 75 SER HA . 19080 1 192 . 2 2 29 29 SER HB2 H 1 3.853 0.020 . 2 . . . . 75 SER HB2 . 19080 1 193 . 2 2 29 29 SER HB3 H 1 3.853 0.020 . 2 . . . . 75 SER HB3 . 19080 1 194 . 2 2 29 29 SER CA C 13 57.541 0.400 . 1 . . . . 75 SER CA . 19080 1 195 . 2 2 29 29 SER CB C 13 63.321 0.400 . 1 . . . . 75 SER CB . 19080 1 196 . 2 2 29 29 SER N N 15 118.414 0.400 . 1 . . . . 75 SER N . 19080 1 197 . 2 2 30 30 ILE C C 13 176.170 0.400 . 1 . . . . 76 ILE C . 19080 1 198 . 2 2 30 30 ILE CA C 13 60.492 0.400 . 1 . . . . 76 ILE CA . 19080 1 199 . 2 2 30 30 ILE CB C 13 38.365 0.400 . 1 . . . . 76 ILE CB . 19080 1 200 . 2 2 31 31 THR H H 1 8.330 0.020 . 1 . . . . 77 THR H . 19080 1 201 . 2 2 31 31 THR CA C 13 61.422 0.400 . 1 . . . . 77 THR CA . 19080 1 202 . 2 2 31 31 THR CB C 13 69.294 0.400 . 1 . . . . 77 THR CB . 19080 1 203 . 2 2 31 31 THR N N 15 119.643 0.400 . 1 . . . . 77 THR N . 19080 1 204 . 2 2 32 32 ILE C C 13 176.641 0.400 . 1 . . . . 78 ILE C . 19080 1 205 . 2 2 32 32 ILE CA C 13 60.909 0.400 . 1 . . . . 78 ILE CA . 19080 1 206 . 2 2 33 33 SER H H 1 8.398 0.020 . 1 . . . . 79 SER H . 19080 1 207 . 2 2 33 33 SER C C 13 174.307 0.400 . 1 . . . . 79 SER C . 19080 1 208 . 2 2 33 33 SER CA C 13 58.230 0.400 . 1 . . . . 79 SER CA . 19080 1 209 . 2 2 33 33 SER CB C 13 63.529 0.400 . 1 . . . . 79 SER CB . 19080 1 210 . 2 2 33 33 SER N N 15 119.608 0.400 . 1 . . . . 79 SER N . 19080 1 211 . 2 2 34 34 GLU H H 1 8.457 0.020 . 1 . . . . 80 GLU H . 19080 1 212 . 2 2 34 34 GLU HA H 1 4.357 0.020 . 1 . . . . 80 GLU HA . 19080 1 213 . 2 2 34 34 GLU HB2 H 1 1.928 0.020 . 2 . . . . 80 GLU HB2 . 19080 1 214 . 2 2 34 34 GLU HB3 H 1 1.928 0.020 . 2 . . . . 80 GLU HB3 . 19080 1 215 . 2 2 34 34 GLU C C 13 175.268 0.400 . 1 . . . . 80 GLU C . 19080 1 216 . 2 2 34 34 GLU CA C 13 55.311 0.400 . 1 . . . . 80 GLU CA . 19080 1 217 . 2 2 34 34 GLU CB C 13 28.765 0.400 . 1 . . . . 80 GLU CB . 19080 1 218 . 2 2 34 34 GLU N N 15 121.690 0.400 . 1 . . . . 80 GLU N . 19080 1 219 . 2 2 35 35 ASP H H 1 8.331 0.020 . 1 . . . . 81 ASP H . 19080 1 220 . 2 2 35 35 ASP C C 13 176.169 0.400 . 1 . . . . 81 ASP C . 19080 1 221 . 2 2 35 35 ASP CA C 13 52.048 0.400 . 1 . . . . 81 ASP CA . 19080 1 222 . 2 2 35 35 ASP CB C 13 40.637 0.400 . 1 . . . . 81 ASP CB . 19080 1 223 . 2 2 35 35 ASP N N 15 122.901 0.400 . 1 . . . . 81 ASP N . 19080 1 224 . 2 2 36 36 GLY H H 1 8.013 0.020 . 1 . . . . 82 GLY H . 19080 1 225 . 2 2 36 36 GLY HA2 H 1 4.014 0.020 . 2 . . . . 82 GLY HA2 . 19080 1 226 . 2 2 36 36 GLY HA3 H 1 3.687 0.020 . 2 . . . . 82 GLY HA3 . 19080 1 227 . 2 2 36 36 GLY C C 13 174.449 0.400 . 1 . . . . 82 GLY C . 19080 1 228 . 2 2 36 36 GLY CA C 13 45.226 0.400 . 1 . . . . 82 GLY CA . 19080 1 229 . 2 2 36 36 GLY N N 15 107.448 0.400 . 1 . . . . 82 GLY N . 19080 1 230 . 2 2 37 37 SER H H 1 8.077 0.020 . 1 . . . . 83 SER H . 19080 1 231 . 2 2 37 37 SER HA H 1 4.348 0.020 . 1 . . . . 83 SER HA . 19080 1 232 . 2 2 37 37 SER HB2 H 1 3.937 0.020 . 2 . . . . 83 SER HB2 . 19080 1 233 . 2 2 37 37 SER HB3 H 1 3.937 0.020 . 2 . . . . 83 SER HB3 . 19080 1 234 . 2 2 37 37 SER C C 13 173.715 0.400 . 1 . . . . 83 SER C . 19080 1 235 . 2 2 37 37 SER CA C 13 58.756 0.400 . 1 . . . . 83 SER CA . 19080 1 236 . 2 2 37 37 SER CB C 13 63.443 0.400 . 1 . . . . 83 SER CB . 19080 1 237 . 2 2 37 37 SER N N 15 116.514 0.400 . 1 . . . . 83 SER N . 19080 1 238 . 2 2 38 38 MET H H 1 8.775 0.020 . 1 . . . . 84 MET H . 19080 1 239 . 2 2 38 38 MET HA H 1 4.520 0.020 . 1 . . . . 84 MET HA . 19080 1 240 . 2 2 38 38 MET C C 13 175.088 0.400 . 1 . . . . 84 MET C . 19080 1 241 . 2 2 38 38 MET CA C 13 54.485 0.400 . 1 . . . . 84 MET CA . 19080 1 242 . 2 2 38 38 MET CB C 13 35.179 0.400 . 1 . . . . 84 MET CB . 19080 1 243 . 2 2 38 38 MET N N 15 121.406 0.400 . 1 . . . . 84 MET N . 19080 1 244 . 2 2 39 39 SER H H 1 8.359 0.020 . 1 . . . . 85 SER H . 19080 1 245 . 2 2 39 39 SER HA H 1 5.160 0.020 . 1 . . . . 85 SER HA . 19080 1 246 . 2 2 39 39 SER C C 13 174.078 0.400 . 1 . . . . 85 SER C . 19080 1 247 . 2 2 39 39 SER CA C 13 57.858 0.400 . 1 . . . . 85 SER CA . 19080 1 248 . 2 2 39 39 SER CB C 13 63.370 0.400 . 1 . . . . 85 SER CB . 19080 1 249 . 2 2 39 39 SER N N 15 113.994 0.400 . 1 . . . . 85 SER N . 19080 1 250 . 2 2 40 40 ILE H H 1 8.167 0.020 . 1 . . . . 86 ILE H . 19080 1 251 . 2 2 40 40 ILE HA H 1 4.175 0.020 . 1 . . . . 86 ILE HA . 19080 1 252 . 2 2 40 40 ILE C C 13 176.000 0.400 . 1 . . . . 86 ILE C . 19080 1 253 . 2 2 40 40 ILE CA C 13 60.561 0.400 . 1 . . . . 86 ILE CA . 19080 1 254 . 2 2 40 40 ILE CB C 13 37.701 0.400 . 1 . . . . 86 ILE CB . 19080 1 255 . 2 2 40 40 ILE N N 15 122.896 0.400 . 1 . . . . 86 ILE N . 19080 1 256 . 2 2 41 41 LYS H H 1 8.400 0.020 . 1 . . . . 87 LYS H . 19080 1 257 . 2 2 41 41 LYS HA H 1 4.363 0.020 . 1 . . . . 87 LYS HA . 19080 1 258 . 2 2 41 41 LYS C C 13 175.843 0.400 . 1 . . . . 87 LYS C . 19080 1 259 . 2 2 41 41 LYS CA C 13 55.664 0.400 . 1 . . . . 87 LYS CA . 19080 1 260 . 2 2 41 41 LYS CB C 13 32.193 0.400 . 1 . . . . 87 LYS CB . 19080 1 261 . 2 2 41 41 LYS N N 15 126.018 0.400 . 1 . . . . 87 LYS N . 19080 1 262 . 2 2 42 42 ASN H H 1 8.383 0.020 . 1 . . . . 88 ASN H . 19080 1 263 . 2 2 42 42 ASN HA H 1 4.544 0.020 . 1 . . . . 88 ASN HA . 19080 1 264 . 2 2 42 42 ASN HB2 H 1 2.770 0.020 . 2 . . . . 88 ASN HB2 . 19080 1 265 . 2 2 42 42 ASN HB3 H 1 2.770 0.020 . 2 . . . . 88 ASN HB3 . 19080 1 266 . 2 2 42 42 ASN HD21 H 1 7.624 0.020 . 2 . . . . 88 ASN HD21 . 19080 1 267 . 2 2 42 42 ASN HD22 H 1 6.906 0.020 . 2 . . . . 88 ASN HD22 . 19080 1 268 . 2 2 42 42 ASN C C 13 174.561 0.400 . 1 . . . . 88 ASN C . 19080 1 269 . 2 2 42 42 ASN CA C 13 53.148 0.400 . 1 . . . . 88 ASN CA . 19080 1 270 . 2 2 42 42 ASN CB C 13 38.860 0.400 . 1 . . . . 88 ASN CB . 19080 1 271 . 2 2 42 42 ASN N N 15 120.013 0.400 . 1 . . . . 88 ASN N . 19080 1 272 . 2 2 42 42 ASN ND2 N 15 112.924 0.400 . 1 . . . . 88 ASN ND2 . 19080 1 273 . 2 2 43 43 GLU H H 1 8.654 0.020 . 1 . . . . 89 GLU H . 19080 1 274 . 2 2 43 43 GLU HA H 1 4.363 0.020 . 1 . . . . 89 GLU HA . 19080 1 275 . 2 2 43 43 GLU HB2 H 1 1.957 0.020 . 2 . . . . 89 GLU HB2 . 19080 1 276 . 2 2 43 43 GLU HB3 H 1 1.957 0.020 . 2 . . . . 89 GLU HB3 . 19080 1 277 . 2 2 43 43 GLU HG2 H 1 2.207 0.020 . 2 . . . . 89 GLU HG2 . 19080 1 278 . 2 2 43 43 GLU HG3 H 1 2.207 0.020 . 2 . . . . 89 GLU HG3 . 19080 1 279 . 2 2 43 43 GLU C C 13 176.462 0.400 . 1 . . . . 89 GLU C . 19080 1 280 . 2 2 43 43 GLU CA C 13 56.292 0.400 . 1 . . . . 89 GLU CA . 19080 1 281 . 2 2 43 43 GLU CB C 13 29.375 0.400 . 1 . . . . 89 GLU CB . 19080 1 282 . 2 2 43 43 GLU N N 15 122.109 0.400 . 1 . . . . 89 GLU N . 19080 1 283 . 2 2 44 44 GLU H H 1 8.449 0.020 . 1 . . . . 90 GLU H . 19080 1 284 . 2 2 44 44 GLU HA H 1 4.247 0.020 . 1 . . . . 90 GLU HA . 19080 1 285 . 2 2 44 44 GLU HB2 H 1 1.992 0.020 . 2 . . . . 90 GLU HB2 . 19080 1 286 . 2 2 44 44 GLU HB3 H 1 1.992 0.020 . 2 . . . . 90 GLU HB3 . 19080 1 287 . 2 2 44 44 GLU C C 13 176.635 0.400 . 1 . . . . 90 GLU C . 19080 1 288 . 2 2 44 44 GLU CA C 13 56.321 0.400 . 1 . . . . 90 GLU CA . 19080 1 289 . 2 2 44 44 GLU CB C 13 29.306 0.400 . 1 . . . . 90 GLU CB . 19080 1 290 . 2 2 44 44 GLU N N 15 122.124 0.400 . 1 . . . . 90 GLU N . 19080 1 291 . 2 2 45 45 GLU H H 1 8.349 0.020 . 1 . . . . 91 GLU H . 19080 1 292 . 2 2 45 45 GLU C C 13 176.464 0.400 . 1 . . . . 91 GLU C . 19080 1 293 . 2 2 45 45 GLU CA C 13 56.152 0.400 . 1 . . . . 91 GLU CA . 19080 1 294 . 2 2 45 45 GLU CB C 13 29.400 0.400 . 1 . . . . 91 GLU CB . 19080 1 295 . 2 2 45 45 GLU N N 15 121.339 0.400 . 1 . . . . 91 GLU N . 19080 1 296 . 2 2 46 46 GLU H H 1 8.434 0.020 . 1 . . . . 92 GLU H . 19080 1 297 . 2 2 46 46 GLU C C 13 176.635 0.400 . 1 . . . . 92 GLU C . 19080 1 298 . 2 2 46 46 GLU CA C 13 56.351 0.400 . 1 . . . . 92 GLU CA . 19080 1 299 . 2 2 46 46 GLU CB C 13 29.183 0.400 . 1 . . . . 92 GLU CB . 19080 1 300 . 2 2 46 46 GLU N N 15 120.977 0.400 . 1 . . . . 92 GLU N . 19080 1 301 . 2 2 47 47 GLN H H 1 8.469 0.020 . 1 . . . . 93 GLN H . 19080 1 302 . 2 2 47 47 GLN HA H 1 4.345 0.020 . 1 . . . . 93 GLN HA . 19080 1 303 . 2 2 47 47 GLN HB2 H 1 1.999 0.020 . 2 . . . . 93 GLN HB2 . 19080 1 304 . 2 2 47 47 GLN HB3 H 1 1.999 0.020 . 2 . . . . 93 GLN HB3 . 19080 1 305 . 2 2 47 47 GLN HE21 H 1 7.534 0.020 . 2 . . . . 93 GLN HE21 . 19080 1 306 . 2 2 47 47 GLN HE22 H 1 6.849 0.020 . 2 . . . . 93 GLN HE22 . 19080 1 307 . 2 2 47 47 GLN C C 13 176.149 0.400 . 1 . . . . 93 GLN C . 19080 1 308 . 2 2 47 47 GLN CA C 13 55.488 0.400 . 1 . . . . 93 GLN CA . 19080 1 309 . 2 2 47 47 GLN CB C 13 28.601 0.400 . 1 . . . . 93 GLN CB . 19080 1 310 . 2 2 47 47 GLN CG C 13 33.139 0.400 . 1 . . . . 93 GLN CG . 19080 1 311 . 2 2 47 47 GLN N N 15 121.405 0.400 . 1 . . . . 93 GLN N . 19080 1 312 . 2 2 47 47 GLN NE2 N 15 112.418 0.400 . 1 . . . . 93 GLN NE2 . 19080 1 313 . 2 2 48 48 THR H H 1 8.229 0.020 . 1 . . . . 94 THR H . 19080 1 314 . 2 2 48 48 THR HB H 1 4.370 0.020 . 1 . . . . 94 THR HB . 19080 1 315 . 2 2 48 48 THR HG21 H 1 1.188 0.020 . 1 . . . . 94 THR HG2 . 19080 1 316 . 2 2 48 48 THR HG22 H 1 1.188 0.020 . 1 . . . . 94 THR HG2 . 19080 1 317 . 2 2 48 48 THR HG23 H 1 1.188 0.020 . 1 . . . . 94 THR HG2 . 19080 1 318 . 2 2 48 48 THR C C 13 174.403 0.400 . 1 . . . . 94 THR C . 19080 1 319 . 2 2 48 48 THR CA C 13 61.807 0.400 . 1 . . . . 94 THR CA . 19080 1 320 . 2 2 48 48 THR CB C 13 69.144 0.400 . 1 . . . . 94 THR CB . 19080 1 321 . 2 2 48 48 THR N N 15 115.805 0.400 . 1 . . . . 94 THR N . 19080 1 322 . 2 2 49 49 LEU H H 1 8.281 0.020 . 1 . . . . 95 LEU H . 19080 1 323 . 2 2 49 49 LEU HA H 1 4.391 0.020 . 1 . . . . 95 LEU HA . 19080 1 324 . 2 2 49 49 LEU HB2 H 1 1.612 0.020 . 2 . . . . 95 LEU HB2 . 19080 1 325 . 2 2 49 49 LEU HB3 H 1 1.612 0.020 . 2 . . . . 95 LEU HB3 . 19080 1 326 . 2 2 49 49 LEU HD11 H 1 0.874 0.020 . 2 . . . . 95 LEU HD1 . 19080 1 327 . 2 2 49 49 LEU HD12 H 1 0.874 0.020 . 2 . . . . 95 LEU HD1 . 19080 1 328 . 2 2 49 49 LEU HD13 H 1 0.874 0.020 . 2 . . . . 95 LEU HD1 . 19080 1 329 . 2 2 49 49 LEU HD21 H 1 0.874 0.020 . 2 . . . . 95 LEU HD2 . 19080 1 330 . 2 2 49 49 LEU HD22 H 1 0.874 0.020 . 2 . . . . 95 LEU HD2 . 19080 1 331 . 2 2 49 49 LEU HD23 H 1 0.874 0.020 . 2 . . . . 95 LEU HD2 . 19080 1 332 . 2 2 49 49 LEU C C 13 177.300 0.400 . 1 . . . . 95 LEU C . 19080 1 333 . 2 2 49 49 LEU CA C 13 54.854 0.400 . 1 . . . . 95 LEU CA . 19080 1 334 . 2 2 49 49 LEU CB C 13 41.219 0.400 . 1 . . . . 95 LEU CB . 19080 1 335 . 2 2 49 49 LEU N N 15 124.541 0.400 . 1 . . . . 95 LEU N . 19080 1 336 . 2 2 50 50 THR H H 1 8.160 0.020 . 1 . . . . 96 THR H . 19080 1 337 . 2 2 50 50 THR HA H 1 4.279 0.020 . 1 . . . . 96 THR HA . 19080 1 338 . 2 2 50 50 THR HB H 1 4.209 0.020 . 1 . . . . 96 THR HB . 19080 1 339 . 2 2 50 50 THR HG21 H 1 1.174 0.020 . 1 . . . . 96 THR HG2 . 19080 1 340 . 2 2 50 50 THR HG22 H 1 1.174 0.020 . 1 . . . . 96 THR HG2 . 19080 1 341 . 2 2 50 50 THR HG23 H 1 1.174 0.020 . 1 . . . . 96 THR HG2 . 19080 1 342 . 2 2 50 50 THR C C 13 174.093 0.400 . 1 . . . . 96 THR C . 19080 1 343 . 2 2 50 50 THR CA C 13 61.713 0.400 . 1 . . . . 96 THR CA . 19080 1 344 . 2 2 50 50 THR CB C 13 69.087 0.400 . 1 . . . . 96 THR CB . 19080 1 345 . 2 2 50 50 THR N N 15 116.280 0.400 . 1 . . . . 96 THR N . 19080 1 346 . 2 2 51 51 ILE H H 1 8.097 0.020 . 1 . . . . 97 ILE H . 19080 1 347 . 2 2 51 51 ILE HA H 1 4.154 0.020 . 1 . . . . 97 ILE HA . 19080 1 348 . 2 2 51 51 ILE HB H 1 1.819 0.020 . 1 . . . . 97 ILE HB . 19080 1 349 . 2 2 51 51 ILE HG12 H 1 1.161 0.020 . 2 . . . . 97 ILE HG12 . 19080 1 350 . 2 2 51 51 ILE HG13 H 1 1.161 0.020 . 2 . . . . 97 ILE HG13 . 19080 1 351 . 2 2 51 51 ILE HG21 H 1 1.481 0.020 . 1 . . . . 97 ILE HG2 . 19080 1 352 . 2 2 51 51 ILE HG22 H 1 1.481 0.020 . 1 . . . . 97 ILE HG2 . 19080 1 353 . 2 2 51 51 ILE HG23 H 1 1.481 0.020 . 1 . . . . 97 ILE HG2 . 19080 1 354 . 2 2 51 51 ILE HD11 H 1 0.861 0.020 . 1 . . . . 97 ILE HD1 . 19080 1 355 . 2 2 51 51 ILE HD12 H 1 0.861 0.020 . 1 . . . . 97 ILE HD1 . 19080 1 356 . 2 2 51 51 ILE HD13 H 1 0.861 0.020 . 1 . . . . 97 ILE HD1 . 19080 1 357 . 2 2 51 51 ILE C C 13 175.575 0.400 . 1 . . . . 97 ILE C . 19080 1 358 . 2 2 51 51 ILE CA C 13 60.493 0.400 . 1 . . . . 97 ILE CA . 19080 1 359 . 2 2 51 51 ILE CB C 13 37.747 0.400 . 1 . . . . 97 ILE CB . 19080 1 360 . 2 2 51 51 ILE N N 15 123.762 0.400 . 1 . . . . 97 ILE N . 19080 1 361 . 2 2 52 52 LEU H H 1 8.267 0.020 . 1 . . . . 98 LEU H . 19080 1 362 . 2 2 52 52 LEU HA H 1 4.392 0.020 . 1 . . . . 98 LEU HA . 19080 1 363 . 2 2 52 52 LEU HB2 H 1 1.515 0.020 . 2 . . . . 98 LEU HB2 . 19080 1 364 . 2 2 52 52 LEU HB3 H 1 1.515 0.020 . 2 . . . . 98 LEU HB3 . 19080 1 365 . 2 2 52 52 LEU HD11 H 1 0.866 0.020 . 2 . . . . 98 LEU HD1 . 19080 1 366 . 2 2 52 52 LEU HD12 H 1 0.866 0.020 . 2 . . . . 98 LEU HD1 . 19080 1 367 . 2 2 52 52 LEU HD13 H 1 0.866 0.020 . 2 . . . . 98 LEU HD1 . 19080 1 368 . 2 2 52 52 LEU HD21 H 1 0.866 0.020 . 2 . . . . 98 LEU HD2 . 19080 1 369 . 2 2 52 52 LEU HD22 H 1 0.866 0.020 . 2 . . . . 98 LEU HD2 . 19080 1 370 . 2 2 52 52 LEU HD23 H 1 0.866 0.020 . 2 . . . . 98 LEU HD2 . 19080 1 371 . 2 2 52 52 LEU C C 13 176.589 0.400 . 1 . . . . 98 LEU C . 19080 1 372 . 2 2 52 52 LEU CA C 13 54.445 0.400 . 1 . . . . 98 LEU CA . 19080 1 373 . 2 2 52 52 LEU CB C 13 41.317 0.400 . 1 . . . . 98 LEU CB . 19080 1 374 . 2 2 52 52 LEU N N 15 126.659 0.400 . 1 . . . . 98 LEU N . 19080 1 375 . 2 2 53 53 ILE H H 1 8.153 0.020 . 1 . . . . 99 ILE H . 19080 1 376 . 2 2 53 53 ILE HA H 1 4.148 0.020 . 1 . . . . 99 ILE HA . 19080 1 377 . 2 2 53 53 ILE HB H 1 1.840 0.020 . 1 . . . . 99 ILE HB . 19080 1 378 . 2 2 53 53 ILE HG21 H 1 1.164 0.020 . 1 . . . . 99 ILE HG2 . 19080 1 379 . 2 2 53 53 ILE HG22 H 1 1.164 0.020 . 1 . . . . 99 ILE HG2 . 19080 1 380 . 2 2 53 53 ILE HG23 H 1 1.164 0.020 . 1 . . . . 99 ILE HG2 . 19080 1 381 . 2 2 53 53 ILE HD11 H 1 0.871 0.020 . 1 . . . . 99 ILE HD1 . 19080 1 382 . 2 2 53 53 ILE HD12 H 1 0.871 0.020 . 1 . . . . 99 ILE HD1 . 19080 1 383 . 2 2 53 53 ILE HD13 H 1 0.871 0.020 . 1 . . . . 99 ILE HD1 . 19080 1 384 . 2 2 53 53 ILE C C 13 175.151 0.400 . 1 . . . . 99 ILE C . 19080 1 385 . 2 2 53 53 ILE CA C 13 60.556 0.400 . 1 . . . . 99 ILE CA . 19080 1 386 . 2 2 53 53 ILE CB C 13 37.345 0.400 . 1 . . . . 99 ILE CB . 19080 1 387 . 2 2 53 53 ILE N N 15 123.592 0.400 . 1 . . . . 99 ILE N . 19080 1 388 . 2 2 54 54 ARG H H 1 7.937 0.020 . 1 . . . . 100 ARG H . 19080 1 389 . 2 2 54 54 ARG HA H 1 4.191 0.020 . 1 . . . . 100 ARG HA . 19080 1 390 . 2 2 54 54 ARG HB2 H 1 1.806 0.020 . 2 . . . . 100 ARG HB2 . 19080 1 391 . 2 2 54 54 ARG HB3 H 1 1.806 0.020 . 2 . . . . 100 ARG HB3 . 19080 1 392 . 2 2 54 54 ARG HG2 H 1 1.616 0.020 . 2 . . . . 100 ARG HG2 . 19080 1 393 . 2 2 54 54 ARG HG3 H 1 1.616 0.020 . 2 . . . . 100 ARG HG3 . 19080 1 394 . 2 2 54 54 ARG C C 13 180.757 0.400 . 1 . . . . 100 ARG C . 19080 1 395 . 2 2 54 54 ARG CA C 13 56.856 0.400 . 1 . . . . 100 ARG CA . 19080 1 396 . 2 2 54 54 ARG CB C 13 30.607 0.400 . 1 . . . . 100 ARG CB . 19080 1 397 . 2 2 54 54 ARG N N 15 130.573 0.400 . 1 . . . . 100 ARG N . 19080 1 stop_ save_ save_assigned_chem_shift_list_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2 _Assigned_chem_shift_list.Entry_ID 19080 _Assigned_chem_shift_list.ID 2 _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' . . . 19080 2 2 '3D 1H-15N NOESY' . . . 19080 2 3 '3D HNCO' . . . 19080 2 4 '3D HCACO' . . . 19080 2 5 '3D HNCA' . . . 19080 2 6 '3D HN(CO)CA' . . . 19080 2 7 '3D HNCACB' . . . 19080 2 8 '3D HNHA' . . . 19080 2 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 15 15 GLY H H 1 8.537 0.020 . 1 . . . . 14 GLY H . 19080 2 2 . 1 1 15 15 GLY HA2 H 1 3.911 0.020 . 2 . . . . 14 GLY HA2 . 19080 2 3 . 1 1 15 15 GLY HA3 H 1 3.911 0.020 . 2 . . . . 14 GLY HA3 . 19080 2 4 . 1 1 15 15 GLY C C 13 174.213 0.400 . 1 . . . . 14 GLY C . 19080 2 5 . 1 1 15 15 GLY CA C 13 44.839 0.400 . 1 . . . . 14 GLY CA . 19080 2 6 . 1 1 15 15 GLY N N 15 108.046 0.400 . 1 . . . . 14 GLY N . 19080 2 7 . 1 1 16 16 LYS H H 1 7.880 0.020 . 1 . . . . 15 LYS H . 19080 2 8 . 1 1 16 16 LYS HA H 1 4.323 0.020 . 1 . . . . 15 LYS HA . 19080 2 9 . 1 1 16 16 LYS HB2 H 1 1.692 0.020 . 2 . . . . 15 LYS HB2 . 19080 2 10 . 1 1 16 16 LYS HB3 H 1 1.692 0.020 . 2 . . . . 15 LYS HB3 . 19080 2 11 . 1 1 16 16 LYS HG2 H 1 1.422 0.020 . 2 . . . . 15 LYS HG2 . 19080 2 12 . 1 1 16 16 LYS HG3 H 1 1.422 0.020 . 2 . . . . 15 LYS HG3 . 19080 2 13 . 1 1 16 16 LYS HE2 H 1 3.012 0.020 . 2 . . . . 15 LYS HE2 . 19080 2 14 . 1 1 16 16 LYS HE3 H 1 3.012 0.020 . 2 . . . . 15 LYS HE3 . 19080 2 15 . 1 1 16 16 LYS C C 13 176.273 0.400 . 1 . . . . 15 LYS C . 19080 2 16 . 1 1 16 16 LYS CA C 13 55.596 0.400 . 1 . . . . 15 LYS CA . 19080 2 17 . 1 1 16 16 LYS CB C 13 32.056 0.400 . 1 . . . . 15 LYS CB . 19080 2 18 . 1 1 16 16 LYS N N 15 120.329 0.400 . 1 . . . . 15 LYS N . 19080 2 19 . 1 1 17 17 ALA H H 1 8.282 0.020 . 1 . . . . 16 ALA H . 19080 2 20 . 1 1 17 17 ALA HA H 1 4.300 0.020 . 1 . . . . 16 ALA HA . 19080 2 21 . 1 1 17 17 ALA HB1 H 1 1.329 0.020 . 1 . . . . 16 ALA HB . 19080 2 22 . 1 1 17 17 ALA HB2 H 1 1.329 0.020 . 1 . . . . 16 ALA HB . 19080 2 23 . 1 1 17 17 ALA HB3 H 1 1.329 0.020 . 1 . . . . 16 ALA HB . 19080 2 24 . 1 1 17 17 ALA C C 13 177.221 0.400 . 1 . . . . 16 ALA C . 19080 2 25 . 1 1 17 17 ALA CA C 13 52.312 0.400 . 1 . . . . 16 ALA CA . 19080 2 26 . 1 1 17 17 ALA CB C 13 18.362 0.400 . 1 . . . . 16 ALA CB . 19080 2 27 . 1 1 17 17 ALA N N 15 124.611 0.400 . 1 . . . . 16 ALA N . 19080 2 28 . 1 1 18 18 GLU H H 1 8.305 0.020 . 1 . . . . 17 GLU H . 19080 2 29 . 1 1 18 18 GLU HA H 1 4.250 0.020 . 1 . . . . 17 GLU HA . 19080 2 30 . 1 1 18 18 GLU HB2 H 1 1.931 0.020 . 2 . . . . 17 GLU HB2 . 19080 2 31 . 1 1 18 18 GLU HB3 H 1 1.931 0.020 . 2 . . . . 17 GLU HB3 . 19080 2 32 . 1 1 18 18 GLU HG2 H 1 2.193 0.020 . 2 . . . . 17 GLU HG2 . 19080 2 33 . 1 1 18 18 GLU HG3 H 1 2.193 0.020 . 2 . . . . 17 GLU HG3 . 19080 2 34 . 1 1 18 18 GLU C C 13 175.881 0.400 . 1 . . . . 17 GLU C . 19080 2 35 . 1 1 18 18 GLU CA C 13 55.866 0.400 . 1 . . . . 17 GLU CA . 19080 2 36 . 1 1 18 18 GLU CB C 13 29.112 0.400 . 1 . . . . 17 GLU CB . 19080 2 37 . 1 1 18 18 GLU N N 15 119.662 0.400 . 1 . . . . 17 GLU N . 19080 2 38 . 1 1 19 19 LEU H H 1 7.598 0.020 . 1 . . . . 18 LEU H . 19080 2 39 . 1 1 19 19 LEU HA H 1 4.024 0.020 . 1 . . . . 18 LEU HA . 19080 2 40 . 1 1 19 19 LEU C C 13 175.702 0.400 . 1 . . . . 18 LEU C . 19080 2 41 . 1 1 19 19 LEU CA C 13 54.260 0.400 . 1 . . . . 18 LEU CA . 19080 2 42 . 1 1 19 19 LEU CB C 13 40.087 0.400 . 1 . . . . 18 LEU CB . 19080 2 43 . 1 1 19 19 LEU N N 15 122.476 0.400 . 1 . . . . 18 LEU N . 19080 2 44 . 1 1 20 20 GLU H H 1 7.699 0.020 . 1 . . . . 19 GLU H . 19080 2 45 . 1 1 20 20 GLU HA H 1 4.001 0.020 . 1 . . . . 19 GLU HA . 19080 2 46 . 1 1 20 20 GLU C C 13 177.377 0.400 . 1 . . . . 19 GLU C . 19080 2 47 . 1 1 20 20 GLU CA C 13 55.238 0.400 . 1 . . . . 19 GLU CA . 19080 2 48 . 1 1 20 20 GLU CB C 13 30.401 0.400 . 1 . . . . 19 GLU CB . 19080 2 49 . 1 1 20 20 GLU N N 15 119.202 0.400 . 1 . . . . 19 GLU N . 19080 2 50 . 1 1 21 21 ASP H H 1 8.870 0.020 . 1 . . . . 20 ASP H . 19080 2 51 . 1 1 21 21 ASP HA H 1 4.530 0.020 . 1 . . . . 20 ASP HA . 19080 2 52 . 1 1 21 21 ASP HB2 H 1 2.764 0.020 . 2 . . . . 20 ASP HB2 . 19080 2 53 . 1 1 21 21 ASP HB3 H 1 2.764 0.020 . 2 . . . . 20 ASP HB3 . 19080 2 54 . 1 1 21 21 ASP C C 13 177.051 0.400 . 1 . . . . 20 ASP C . 19080 2 55 . 1 1 21 21 ASP CA C 13 55.371 0.400 . 1 . . . . 20 ASP CA . 19080 2 56 . 1 1 21 21 ASP CB C 13 39.846 0.400 . 1 . . . . 20 ASP CB . 19080 2 57 . 1 1 21 21 ASP N N 15 124.171 0.400 . 1 . . . . 20 ASP N . 19080 2 58 . 1 1 22 22 GLY H H 1 8.706 0.020 . 1 . . . . 21 GLY H . 19080 2 59 . 1 1 22 22 GLY HA2 H 1 4.611 0.020 . 2 . . . . 21 GLY HA2 . 19080 2 60 . 1 1 22 22 GLY HA3 H 1 4.372 0.020 . 2 . . . . 21 GLY HA3 . 19080 2 61 . 1 1 22 22 GLY C C 13 171.114 0.400 . 1 . . . . 21 GLY C . 19080 2 62 . 1 1 22 22 GLY CA C 13 44.768 0.400 . 1 . . . . 21 GLY CA . 19080 2 63 . 1 1 22 22 GLY N N 15 107.480 0.400 . 1 . . . . 21 GLY N . 19080 2 64 . 1 1 23 23 ALA H H 1 9.345 0.020 . 1 . . . . 22 ALA H . 19080 2 65 . 1 1 23 23 ALA HB1 H 1 1.350 0.020 . 1 . . . . 22 ALA HB . 19080 2 66 . 1 1 23 23 ALA HB2 H 1 1.350 0.020 . 1 . . . . 22 ALA HB . 19080 2 67 . 1 1 23 23 ALA HB3 H 1 1.350 0.020 . 1 . . . . 22 ALA HB . 19080 2 68 . 1 1 23 23 ALA C C 13 176.546 0.400 . 1 . . . . 22 ALA C . 19080 2 69 . 1 1 23 23 ALA CA C 13 50.328 0.400 . 1 . . . . 22 ALA CA . 19080 2 70 . 1 1 23 23 ALA CB C 13 19.373 0.400 . 1 . . . . 22 ALA CB . 19080 2 71 . 1 1 23 23 ALA N N 15 122.362 0.400 . 1 . . . . 22 ALA N . 19080 2 72 . 1 1 24 24 TYR H H 1 9.475 0.020 . 1 . . . . 23 TYR H . 19080 2 73 . 1 1 24 24 TYR HA H 1 5.517 0.020 . 1 . . . . 23 TYR HA . 19080 2 74 . 1 1 24 24 TYR HB2 H 1 2.870 0.020 . 2 . . . . 23 TYR HB2 . 19080 2 75 . 1 1 24 24 TYR HB3 H 1 2.672 0.020 . 2 . . . . 23 TYR HB3 . 19080 2 76 . 1 1 24 24 TYR HE1 H 1 6.603 0.020 . 1 . . . . 23 TYR HE1 . 19080 2 77 . 1 1 24 24 TYR HE2 H 1 6.603 0.020 . 1 . . . . 23 TYR HE2 . 19080 2 78 . 1 1 24 24 TYR C C 13 174.695 0.400 . 1 . . . . 23 TYR C . 19080 2 79 . 1 1 24 24 TYR CA C 13 56.597 0.400 . 1 . . . . 23 TYR CA . 19080 2 80 . 1 1 24 24 TYR N N 15 122.672 0.400 . 1 . . . . 23 TYR N . 19080 2 81 . 1 1 25 25 ARG H H 1 9.175 0.020 . 1 . . . . 24 ARG H . 19080 2 82 . 1 1 25 25 ARG HA H 1 5.018 0.020 . 1 . . . . 24 ARG HA . 19080 2 83 . 1 1 25 25 ARG CA C 13 54.665 0.400 . 1 . . . . 24 ARG CA . 19080 2 84 . 1 1 25 25 ARG N N 15 116.916 0.400 . 1 . . . . 24 ARG N . 19080 2 85 . 1 1 26 26 ILE HA H 1 3.861 0.020 . 1 . . . . 25 ILE HA . 19080 2 86 . 1 1 26 26 ILE HD11 H 1 0.535 0.020 . 1 . . . . 25 ILE HD1 . 19080 2 87 . 1 1 26 26 ILE HD12 H 1 0.535 0.020 . 1 . . . . 25 ILE HD1 . 19080 2 88 . 1 1 26 26 ILE HD13 H 1 0.535 0.020 . 1 . . . . 25 ILE HD1 . 19080 2 89 . 1 1 26 26 ILE C C 13 174.528 0.400 . 1 . . . . 25 ILE C . 19080 2 90 . 1 1 26 26 ILE CA C 13 55.704 0.400 . 1 . . . . 25 ILE CA . 19080 2 91 . 1 1 26 26 ILE CB C 13 35.814 0.400 . 1 . . . . 25 ILE CB . 19080 2 92 . 1 1 27 27 LYS H H 1 9.311 0.020 . 1 . . . . 26 LYS H . 19080 2 93 . 1 1 27 27 LYS HA H 1 4.539 0.020 . 1 . . . . 26 LYS HA . 19080 2 94 . 1 1 27 27 LYS C C 13 176.274 0.400 . 1 . . . . 26 LYS C . 19080 2 95 . 1 1 27 27 LYS CA C 13 56.395 0.400 . 1 . . . . 26 LYS CA . 19080 2 96 . 1 1 27 27 LYS CB C 13 27.419 0.400 . 1 . . . . 26 LYS CB . 19080 2 97 . 1 1 27 27 LYS N N 15 125.567 0.400 . 1 . . . . 26 LYS N . 19080 2 98 . 1 1 28 28 GLN HB2 H 1 2.127 0.020 . 2 . . . . 27 GLN HB2 . 19080 2 99 . 1 1 28 28 GLN HB3 H 1 2.127 0.020 . 2 . . . . 27 GLN HB3 . 19080 2 100 . 1 1 28 28 GLN HE21 H 1 7.425 0.020 . 2 . . . . 27 GLN HE21 . 19080 2 101 . 1 1 28 28 GLN HE22 H 1 6.767 0.020 . 2 . . . . 27 GLN HE22 . 19080 2 102 . 1 1 28 28 GLN C C 13 175.291 0.400 . 1 . . . . 27 GLN C . 19080 2 103 . 1 1 28 28 GLN CA C 13 53.635 0.400 . 1 . . . . 27 GLN CA . 19080 2 104 . 1 1 28 28 GLN NE2 N 15 111.287 0.400 . 1 . . . . 27 GLN NE2 . 19080 2 105 . 1 1 29 29 LYS H H 1 9.206 0.020 . 1 . . . . 28 LYS H . 19080 2 106 . 1 1 29 29 LYS HA H 1 5.112 0.020 . 1 . . . . 28 LYS HA . 19080 2 107 . 1 1 29 29 LYS C C 13 175.456 0.400 . 1 . . . . 28 LYS C . 19080 2 108 . 1 1 29 29 LYS CA C 13 56.920 0.400 . 1 . . . . 28 LYS CA . 19080 2 109 . 1 1 29 29 LYS CB C 13 31.906 0.400 . 1 . . . . 28 LYS CB . 19080 2 110 . 1 1 29 29 LYS N N 15 131.187 0.400 . 1 . . . . 28 LYS N . 19080 2 111 . 1 1 30 30 GLY H H 1 7.925 0.020 . 1 . . . . 29 GLY H . 19080 2 112 . 1 1 30 30 GLY HA2 H 1 3.802 0.020 . 2 . . . . 29 GLY HA2 . 19080 2 113 . 1 1 30 30 GLY HA3 H 1 3.495 0.020 . 2 . . . . 29 GLY HA3 . 19080 2 114 . 1 1 30 30 GLY C C 13 174.379 0.400 . 1 . . . . 29 GLY C . 19080 2 115 . 1 1 30 30 GLY CA C 13 43.534 0.400 . 1 . . . . 29 GLY CA . 19080 2 116 . 1 1 30 30 GLY N N 15 115.756 0.400 . 1 . . . . 29 GLY N . 19080 2 117 . 1 1 31 31 ILE H H 1 8.424 0.020 . 1 . . . . 30 ILE H . 19080 2 118 . 1 1 31 31 ILE C C 13 177.362 0.400 . 1 . . . . 30 ILE C . 19080 2 119 . 1 1 31 31 ILE CA C 13 63.524 0.400 . 1 . . . . 30 ILE CA . 19080 2 120 . 1 1 31 31 ILE CB C 13 37.286 0.400 . 1 . . . . 30 ILE CB . 19080 2 121 . 1 1 31 31 ILE N N 15 120.787 0.400 . 1 . . . . 30 ILE N . 19080 2 122 . 1 1 32 32 LEU H H 1 8.334 0.020 . 1 . . . . 31 LEU H . 19080 2 123 . 1 1 32 32 LEU HA H 1 4.581 0.020 . 1 . . . . 31 LEU HA . 19080 2 124 . 1 1 32 32 LEU HB2 H 1 1.613 0.020 . 2 . . . . 31 LEU HB2 . 19080 2 125 . 1 1 32 32 LEU HB3 H 1 1.613 0.020 . 2 . . . . 31 LEU HB3 . 19080 2 126 . 1 1 32 32 LEU C C 13 176.741 0.400 . 1 . . . . 31 LEU C . 19080 2 127 . 1 1 32 32 LEU CA C 13 54.053 0.400 . 1 . . . . 31 LEU CA . 19080 2 128 . 1 1 32 32 LEU CB C 13 40.638 0.400 . 1 . . . . 31 LEU CB . 19080 2 129 . 1 1 32 32 LEU N N 15 118.860 0.400 . 1 . . . . 31 LEU N . 19080 2 130 . 1 1 33 33 GLY H H 1 7.426 0.020 . 1 . . . . 32 GLY H . 19080 2 131 . 1 1 33 33 GLY HA2 H 1 3.800 0.020 . 2 . . . . 32 GLY HA2 . 19080 2 132 . 1 1 33 33 GLY HA3 H 1 3.800 0.020 . 2 . . . . 32 GLY HA3 . 19080 2 133 . 1 1 33 33 GLY C C 13 173.329 0.400 . 1 . . . . 32 GLY C . 19080 2 134 . 1 1 33 33 GLY CA C 13 43.887 0.400 . 1 . . . . 32 GLY CA . 19080 2 135 . 1 1 33 33 GLY N N 15 107.425 0.400 . 1 . . . . 32 GLY N . 19080 2 136 . 1 1 34 34 TYR H H 1 8.855 0.020 . 1 . . . . 33 TYR H . 19080 2 137 . 1 1 34 34 TYR HA H 1 4.815 0.020 . 1 . . . . 33 TYR HA . 19080 2 138 . 1 1 34 34 TYR HE1 H 1 6.849 0.020 . 1 . . . . 33 TYR HE1 . 19080 2 139 . 1 1 34 34 TYR HE2 H 1 6.849 0.020 . 1 . . . . 33 TYR HE2 . 19080 2 140 . 1 1 34 34 TYR C C 13 176.685 0.400 . 1 . . . . 33 TYR C . 19080 2 141 . 1 1 34 34 TYR CA C 13 58.081 0.400 . 1 . . . . 33 TYR CA . 19080 2 142 . 1 1 34 34 TYR CB C 13 40.179 0.400 . 1 . . . . 33 TYR CB . 19080 2 143 . 1 1 34 34 TYR N N 15 120.356 0.400 . 1 . . . . 33 TYR N . 19080 2 144 . 1 1 35 35 SER H H 1 8.615 0.020 . 1 . . . . 34 SER H . 19080 2 145 . 1 1 35 35 SER HA H 1 4.998 0.020 . 1 . . . . 34 SER HA . 19080 2 146 . 1 1 35 35 SER HB2 H 1 3.768 0.020 . 2 . . . . 34 SER HB2 . 19080 2 147 . 1 1 35 35 SER HB3 H 1 3.480 0.020 . 2 . . . . 34 SER HB3 . 19080 2 148 . 1 1 35 35 SER C C 13 173.365 0.400 . 1 . . . . 34 SER C . 19080 2 149 . 1 1 35 35 SER CA C 13 56.737 0.400 . 1 . . . . 34 SER CA . 19080 2 150 . 1 1 35 35 SER CB C 13 65.163 0.400 . 1 . . . . 34 SER CB . 19080 2 151 . 1 1 35 35 SER N N 15 115.527 0.400 . 1 . . . . 34 SER N . 19080 2 152 . 1 1 36 36 GLN C C 13 176.355 0.400 . 1 . . . . 35 GLN C . 19080 2 153 . 1 1 36 36 GLN CA C 13 56.051 0.400 . 1 . . . . 35 GLN CA . 19080 2 154 . 1 1 36 36 GLN CB C 13 29.112 0.400 . 1 . . . . 35 GLN CB . 19080 2 155 . 1 1 37 37 ILE H H 1 8.135 0.020 . 1 . . . . 36 ILE H . 19080 2 156 . 1 1 37 37 ILE HA H 1 4.303 0.020 . 1 . . . . 36 ILE HA . 19080 2 157 . 1 1 37 37 ILE C C 13 175.284 0.400 . 1 . . . . 36 ILE C . 19080 2 158 . 1 1 37 37 ILE CA C 13 60.608 0.400 . 1 . . . . 36 ILE CA . 19080 2 159 . 1 1 37 37 ILE CB C 13 37.717 0.400 . 1 . . . . 36 ILE CB . 19080 2 160 . 1 1 37 37 ILE N N 15 121.929 0.400 . 1 . . . . 36 ILE N . 19080 2 161 . 1 1 38 38 GLY H H 1 7.773 0.020 . 1 . . . . 37 GLY H . 19080 2 162 . 1 1 38 38 GLY HA2 H 1 4.122 0.020 . 2 . . . . 37 GLY HA2 . 19080 2 163 . 1 1 38 38 GLY HA3 H 1 4.122 0.020 . 2 . . . . 37 GLY HA3 . 19080 2 164 . 1 1 38 38 GLY C C 13 170.320 0.400 . 1 . . . . 37 GLY C . 19080 2 165 . 1 1 38 38 GLY CA C 13 45.692 0.400 . 1 . . . . 37 GLY CA . 19080 2 166 . 1 1 38 38 GLY N N 15 109.925 0.400 . 1 . . . . 37 GLY N . 19080 2 167 . 1 1 39 39 ALA H H 1 9.097 0.020 . 1 . . . . 38 ALA H . 19080 2 168 . 1 1 39 39 ALA HA H 1 4.075 0.020 . 1 . . . . 38 ALA HA . 19080 2 169 . 1 1 39 39 ALA HB1 H 1 1.379 0.020 . 1 . . . . 38 ALA HB . 19080 2 170 . 1 1 39 39 ALA HB2 H 1 1.379 0.020 . 1 . . . . 38 ALA HB . 19080 2 171 . 1 1 39 39 ALA HB3 H 1 1.379 0.020 . 1 . . . . 38 ALA HB . 19080 2 172 . 1 1 39 39 ALA C C 13 175.054 0.400 . 1 . . . . 38 ALA C . 19080 2 173 . 1 1 39 39 ALA CA C 13 50.457 0.400 . 1 . . . . 38 ALA CA . 19080 2 174 . 1 1 39 39 ALA CB C 13 22.708 0.400 . 1 . . . . 38 ALA CB . 19080 2 175 . 1 1 39 39 ALA N N 15 124.051 0.400 . 1 . . . . 38 ALA N . 19080 2 176 . 1 1 40 40 GLY H H 1 8.779 0.020 . 1 . . . . 39 GLY H . 19080 2 177 . 1 1 40 40 GLY C C 13 172.917 0.400 . 1 . . . . 39 GLY C . 19080 2 178 . 1 1 40 40 GLY CA C 13 46.290 0.400 . 1 . . . . 39 GLY CA . 19080 2 179 . 1 1 40 40 GLY N N 15 104.299 0.400 . 1 . . . . 39 GLY N . 19080 2 180 . 1 1 41 41 VAL H H 1 8.380 0.020 . 1 . . . . 40 VAL H . 19080 2 181 . 1 1 41 41 VAL HA H 1 4.717 0.020 . 1 . . . . 40 VAL HA . 19080 2 182 . 1 1 41 41 VAL HG21 H 1 0.871 0.020 . 2 . . . . 40 VAL HG2 . 19080 2 183 . 1 1 41 41 VAL HG22 H 1 0.871 0.020 . 2 . . . . 40 VAL HG2 . 19080 2 184 . 1 1 41 41 VAL HG23 H 1 0.871 0.020 . 2 . . . . 40 VAL HG2 . 19080 2 185 . 1 1 41 41 VAL C C 13 174.915 0.400 . 1 . . . . 40 VAL C . 19080 2 186 . 1 1 41 41 VAL CA C 13 59.373 0.400 . 1 . . . . 40 VAL CA . 19080 2 187 . 1 1 41 41 VAL N N 15 115.834 0.400 . 1 . . . . 40 VAL N . 19080 2 188 . 1 1 42 42 TYR H H 1 10.046 0.020 . 1 . . . . 41 TYR H . 19080 2 189 . 1 1 42 42 TYR HA H 1 5.343 0.020 . 1 . . . . 41 TYR HA . 19080 2 190 . 1 1 42 42 TYR HE1 H 1 6.459 0.020 . 1 . . . . 41 TYR HE1 . 19080 2 191 . 1 1 42 42 TYR HE2 H 1 6.459 0.020 . 1 . . . . 41 TYR HE2 . 19080 2 192 . 1 1 42 42 TYR CA C 13 56.894 0.400 . 1 . . . . 41 TYR CA . 19080 2 193 . 1 1 42 42 TYR N N 15 134.194 0.400 . 1 . . . . 41 TYR N . 19080 2 194 . 1 1 44 44 GLU C C 13 176.744 0.400 . 1 . . . . 43 GLU C . 19080 2 195 . 1 1 44 44 GLU CA C 13 56.160 0.400 . 1 . . . . 43 GLU CA . 19080 2 196 . 1 1 45 45 GLY H H 1 8.271 0.020 . 1 . . . . 44 GLY H . 19080 2 197 . 1 1 45 45 GLY CA C 13 44.639 0.400 . 1 . . . . 44 GLY CA . 19080 2 198 . 1 1 45 45 GLY N N 15 109.425 0.400 . 1 . . . . 44 GLY N . 19080 2 199 . 1 1 46 46 THR C C 13 172.023 0.400 . 1 . . . . 45 THR C . 19080 2 200 . 1 1 46 46 THR CA C 13 60.389 0.400 . 1 . . . . 45 THR CA . 19080 2 201 . 1 1 47 47 PHE H H 1 9.025 0.020 . 1 . . . . 46 PHE H . 19080 2 202 . 1 1 47 47 PHE HB2 H 1 2.611 0.020 . 2 . . . . 46 PHE HB2 . 19080 2 203 . 1 1 47 47 PHE HB3 H 1 2.611 0.020 . 2 . . . . 46 PHE HB3 . 19080 2 204 . 1 1 47 47 PHE HE1 H 1 6.442 0.020 . 1 . . . . 46 PHE HE1 . 19080 2 205 . 1 1 47 47 PHE HE2 H 1 6.442 0.020 . 1 . . . . 46 PHE HE2 . 19080 2 206 . 1 1 47 47 PHE CA C 13 56.853 0.400 . 1 . . . . 46 PHE CA . 19080 2 207 . 1 1 47 47 PHE CB C 13 39.494 0.400 . 1 . . . . 46 PHE CB . 19080 2 208 . 1 1 47 47 PHE N N 15 126.253 0.400 . 1 . . . . 46 PHE N . 19080 2 209 . 1 1 48 48 HIS H H 1 7.973 0.020 . 1 . . . . 47 HIS H . 19080 2 210 . 1 1 48 48 HIS HB2 H 1 2.625 0.020 . 2 . . . . 47 HIS HB2 . 19080 2 211 . 1 1 48 48 HIS HB3 H 1 2.625 0.020 . 2 . . . . 47 HIS HB3 . 19080 2 212 . 1 1 48 48 HIS C C 13 173.389 0.400 . 1 . . . . 47 HIS C . 19080 2 213 . 1 1 48 48 HIS N N 15 126.942 0.400 . 1 . . . . 47 HIS N . 19080 2 214 . 1 1 49 49 THR H H 1 8.966 0.020 . 1 . . . . 48 THR H . 19080 2 215 . 1 1 49 49 THR HA H 1 4.770 0.020 . 1 . . . . 48 THR HA . 19080 2 216 . 1 1 49 49 THR HG21 H 1 1.088 0.020 . 1 . . . . 48 THR HG2 . 19080 2 217 . 1 1 49 49 THR HG22 H 1 1.088 0.020 . 1 . . . . 48 THR HG2 . 19080 2 218 . 1 1 49 49 THR HG23 H 1 1.088 0.020 . 1 . . . . 48 THR HG2 . 19080 2 219 . 1 1 49 49 THR C C 13 172.195 0.400 . 1 . . . . 48 THR C . 19080 2 220 . 1 1 49 49 THR CA C 13 59.954 0.400 . 1 . . . . 48 THR CA . 19080 2 221 . 1 1 49 49 THR N N 15 117.226 0.400 . 1 . . . . 48 THR N . 19080 2 222 . 1 1 50 50 MET H H 1 8.686 0.020 . 1 . . . . 49 MET H . 19080 2 223 . 1 1 50 50 MET C C 13 172.882 0.400 . 1 . . . . 49 MET C . 19080 2 224 . 1 1 50 50 MET CA C 13 53.258 0.400 . 1 . . . . 49 MET CA . 19080 2 225 . 1 1 50 50 MET CB C 13 32.046 0.400 . 1 . . . . 49 MET CB . 19080 2 226 . 1 1 50 50 MET N N 15 116.906 0.400 . 1 . . . . 49 MET N . 19080 2 227 . 1 1 51 51 TRP H H 1 7.521 0.020 . 1 . . . . 50 TRP H . 19080 2 228 . 1 1 51 51 TRP HA H 1 3.881 0.020 . 1 . . . . 50 TRP HA . 19080 2 229 . 1 1 51 51 TRP HB2 H 1 2.574 0.020 . 2 . . . . 50 TRP HB2 . 19080 2 230 . 1 1 51 51 TRP HB3 H 1 2.101 0.020 . 2 . . . . 50 TRP HB3 . 19080 2 231 . 1 1 51 51 TRP C C 13 178.691 0.400 . 1 . . . . 50 TRP C . 19080 2 232 . 1 1 51 51 TRP CA C 13 56.984 0.400 . 1 . . . . 50 TRP CA . 19080 2 233 . 1 1 51 51 TRP CB C 13 28.305 0.400 . 1 . . . . 50 TRP CB . 19080 2 234 . 1 1 51 51 TRP N N 15 121.309 0.400 . 1 . . . . 50 TRP N . 19080 2 235 . 1 1 52 52 HIS H H 1 10.210 0.020 . 1 . . . . 51 HIS H . 19080 2 236 . 1 1 52 52 HIS HB2 H 1 3.483 0.020 . 2 . . . . 51 HIS HB2 . 19080 2 237 . 1 1 52 52 HIS HB3 H 1 3.483 0.020 . 2 . . . . 51 HIS HB3 . 19080 2 238 . 1 1 52 52 HIS C C 13 175.275 0.400 . 1 . . . . 51 HIS C . 19080 2 239 . 1 1 52 52 HIS CA C 13 58.742 0.400 . 1 . . . . 51 HIS CA . 19080 2 240 . 1 1 52 52 HIS CB C 13 26.836 0.400 . 1 . . . . 51 HIS CB . 19080 2 241 . 1 1 52 52 HIS N N 15 113.635 0.400 . 1 . . . . 51 HIS N . 19080 2 242 . 1 1 53 53 VAL H H 1 6.867 0.020 . 1 . . . . 52 VAL H . 19080 2 243 . 1 1 53 53 VAL HA H 1 3.604 0.020 . 1 . . . . 52 VAL HA . 19080 2 244 . 1 1 53 53 VAL HB H 1 2.264 0.020 . 1 . . . . 52 VAL HB . 19080 2 245 . 1 1 53 53 VAL C C 13 175.553 0.400 . 1 . . . . 52 VAL C . 19080 2 246 . 1 1 53 53 VAL CA C 13 64.326 0.400 . 1 . . . . 52 VAL CA . 19080 2 247 . 1 1 53 53 VAL N N 15 117.983 0.400 . 1 . . . . 52 VAL N . 19080 2 248 . 1 1 54 54 THR H H 1 6.422 0.020 . 1 . . . . 53 THR H . 19080 2 249 . 1 1 54 54 THR HA H 1 5.058 0.020 . 1 . . . . 53 THR HA . 19080 2 250 . 1 1 54 54 THR HG21 H 1 1.071 0.020 . 1 . . . . 53 THR HG2 . 19080 2 251 . 1 1 54 54 THR HG22 H 1 1.071 0.020 . 1 . . . . 53 THR HG2 . 19080 2 252 . 1 1 54 54 THR HG23 H 1 1.071 0.020 . 1 . . . . 53 THR HG2 . 19080 2 253 . 1 1 54 54 THR C C 13 175.623 0.400 . 1 . . . . 53 THR C . 19080 2 254 . 1 1 54 54 THR CA C 13 60.455 0.400 . 1 . . . . 53 THR CA . 19080 2 255 . 1 1 54 54 THR CB C 13 69.255 0.400 . 1 . . . . 53 THR CB . 19080 2 256 . 1 1 54 54 THR N N 15 101.342 0.400 . 1 . . . . 53 THR N . 19080 2 257 . 1 1 55 55 ARG H H 1 9.097 0.020 . 1 . . . . 54 ARG H . 19080 2 258 . 1 1 55 55 ARG HA H 1 4.194 0.020 . 1 . . . . 54 ARG HA . 19080 2 259 . 1 1 55 55 ARG HG2 H 1 1.444 0.020 . 2 . . . . 54 ARG HG2 . 19080 2 260 . 1 1 55 55 ARG HG3 H 1 1.444 0.020 . 2 . . . . 54 ARG HG3 . 19080 2 261 . 1 1 55 55 ARG HD2 H 1 2.933 0.020 . 2 . . . . 54 ARG HD2 . 19080 2 262 . 1 1 55 55 ARG HD3 H 1 2.933 0.020 . 2 . . . . 54 ARG HD3 . 19080 2 263 . 1 1 55 55 ARG C C 13 175.670 0.400 . 1 . . . . 54 ARG C . 19080 2 264 . 1 1 55 55 ARG CA C 13 55.523 0.400 . 1 . . . . 54 ARG CA . 19080 2 265 . 1 1 55 55 ARG N N 15 121.357 0.400 . 1 . . . . 54 ARG N . 19080 2 266 . 1 1 56 56 GLY H H 1 6.883 0.020 . 1 . . . . 55 GLY H . 19080 2 267 . 1 1 56 56 GLY HA2 H 1 4.094 0.020 . 2 . . . . 55 GLY HA2 . 19080 2 268 . 1 1 56 56 GLY HA3 H 1 4.094 0.020 . 2 . . . . 55 GLY HA3 . 19080 2 269 . 1 1 56 56 GLY C C 13 173.087 0.400 . 1 . . . . 55 GLY C . 19080 2 270 . 1 1 56 56 GLY CA C 13 44.484 0.400 . 1 . . . . 55 GLY CA . 19080 2 271 . 1 1 56 56 GLY N N 15 101.317 0.400 . 1 . . . . 55 GLY N . 19080 2 272 . 1 1 57 57 ALA H H 1 7.375 0.020 . 1 . . . . 56 ALA H . 19080 2 273 . 1 1 57 57 ALA HB1 H 1 1.443 0.020 . 1 . . . . 56 ALA HB . 19080 2 274 . 1 1 57 57 ALA HB2 H 1 1.443 0.020 . 1 . . . . 56 ALA HB . 19080 2 275 . 1 1 57 57 ALA HB3 H 1 1.443 0.020 . 1 . . . . 56 ALA HB . 19080 2 276 . 1 1 57 57 ALA C C 13 177.650 0.400 . 1 . . . . 56 ALA C . 19080 2 277 . 1 1 57 57 ALA CA C 13 51.577 0.400 . 1 . . . . 56 ALA CA . 19080 2 278 . 1 1 57 57 ALA CB C 13 18.983 0.400 . 1 . . . . 56 ALA CB . 19080 2 279 . 1 1 57 57 ALA N N 15 120.828 0.400 . 1 . . . . 56 ALA N . 19080 2 280 . 1 1 58 58 VAL H H 1 8.419 0.020 . 1 . . . . 57 VAL H . 19080 2 281 . 1 1 58 58 VAL C C 13 176.038 0.400 . 1 . . . . 57 VAL C . 19080 2 282 . 1 1 58 58 VAL CA C 13 60.262 0.400 . 1 . . . . 57 VAL CA . 19080 2 283 . 1 1 58 58 VAL CB C 13 31.465 0.400 . 1 . . . . 57 VAL CB . 19080 2 284 . 1 1 58 58 VAL N N 15 120.129 0.400 . 1 . . . . 57 VAL N . 19080 2 285 . 1 1 59 59 LEU H H 1 8.663 0.020 . 1 . . . . 58 LEU H . 19080 2 286 . 1 1 59 59 LEU HA H 1 4.999 0.020 . 1 . . . . 58 LEU HA . 19080 2 287 . 1 1 59 59 LEU CA C 13 52.751 0.400 . 1 . . . . 58 LEU CA . 19080 2 288 . 1 1 59 59 LEU CB C 13 43.442 0.400 . 1 . . . . 58 LEU CB . 19080 2 289 . 1 1 59 59 LEU N N 15 126.375 0.400 . 1 . . . . 58 LEU N . 19080 2 290 . 1 1 60 60 MET H H 1 8.241 0.020 . 1 . . . . 59 MET H . 19080 2 291 . 1 1 60 60 MET HA H 1 4.440 0.020 . 1 . . . . 59 MET HA . 19080 2 292 . 1 1 60 60 MET C C 13 175.818 0.400 . 1 . . . . 59 MET C . 19080 2 293 . 1 1 60 60 MET CA C 13 52.508 0.400 . 1 . . . . 59 MET CA . 19080 2 294 . 1 1 60 60 MET CB C 13 33.300 0.400 . 1 . . . . 59 MET CB . 19080 2 295 . 1 1 60 60 MET N N 15 117.227 0.400 . 1 . . . . 59 MET N . 19080 2 296 . 1 1 61 61 HIS H H 1 8.818 0.020 . 1 . . . . 60 HIS H . 19080 2 297 . 1 1 61 61 HIS HA H 1 5.447 0.020 . 1 . . . . 60 HIS HA . 19080 2 298 . 1 1 61 61 HIS C C 13 174.475 0.400 . 1 . . . . 60 HIS C . 19080 2 299 . 1 1 61 61 HIS CA C 13 55.829 0.400 . 1 . . . . 60 HIS CA . 19080 2 300 . 1 1 61 61 HIS CB C 13 30.766 0.400 . 1 . . . . 60 HIS CB . 19080 2 301 . 1 1 61 61 HIS N N 15 120.039 0.400 . 1 . . . . 60 HIS N . 19080 2 302 . 1 1 62 62 LYS H H 1 9.460 0.020 . 1 . . . . 61 LYS H . 19080 2 303 . 1 1 62 62 LYS HA H 1 4.810 0.020 . 1 . . . . 61 LYS HA . 19080 2 304 . 1 1 62 62 LYS C C 13 176.522 0.400 . 1 . . . . 61 LYS C . 19080 2 305 . 1 1 62 62 LYS CA C 13 56.485 0.400 . 1 . . . . 61 LYS CA . 19080 2 306 . 1 1 62 62 LYS CB C 13 29.023 0.400 . 1 . . . . 61 LYS CB . 19080 2 307 . 1 1 62 62 LYS N N 15 128.138 0.400 . 1 . . . . 61 LYS N . 19080 2 308 . 1 1 63 63 GLY H H 1 8.745 0.020 . 1 . . . . 62 GLY H . 19080 2 309 . 1 1 63 63 GLY HA2 H 1 3.556 0.020 . 2 . . . . 62 GLY HA2 . 19080 2 310 . 1 1 63 63 GLY HA3 H 1 3.556 0.020 . 2 . . . . 62 GLY HA3 . 19080 2 311 . 1 1 63 63 GLY C C 13 173.655 0.400 . 1 . . . . 62 GLY C . 19080 2 312 . 1 1 63 63 GLY CA C 13 44.726 0.400 . 1 . . . . 62 GLY CA . 19080 2 313 . 1 1 63 63 GLY N N 15 104.241 0.400 . 1 . . . . 62 GLY N . 19080 2 314 . 1 1 64 64 LYS H H 1 7.884 0.020 . 1 . . . . 63 LYS H . 19080 2 315 . 1 1 64 64 LYS HA H 1 4.534 0.020 . 1 . . . . 63 LYS HA . 19080 2 316 . 1 1 64 64 LYS C C 13 174.736 0.400 . 1 . . . . 63 LYS C . 19080 2 317 . 1 1 64 64 LYS CA C 13 54.391 0.400 . 1 . . . . 63 LYS CA . 19080 2 318 . 1 1 64 64 LYS CB C 13 32.715 0.400 . 1 . . . . 63 LYS CB . 19080 2 319 . 1 1 64 64 LYS N N 15 121.755 0.400 . 1 . . . . 63 LYS N . 19080 2 320 . 1 1 65 65 ARG H H 1 8.412 0.020 . 1 . . . . 64 ARG H . 19080 2 321 . 1 1 65 65 ARG C C 13 176.270 0.400 . 1 . . . . 64 ARG C . 19080 2 322 . 1 1 65 65 ARG CA C 13 55.726 0.400 . 1 . . . . 64 ARG CA . 19080 2 323 . 1 1 65 65 ARG CB C 13 31.248 0.400 . 1 . . . . 64 ARG CB . 19080 2 324 . 1 1 65 65 ARG N N 15 123.161 0.400 . 1 . . . . 64 ARG N . 19080 2 325 . 1 1 66 66 ILE H H 1 9.348 0.020 . 1 . . . . 65 ILE H . 19080 2 326 . 1 1 66 66 ILE HA H 1 4.863 0.020 . 1 . . . . 65 ILE HA . 19080 2 327 . 1 1 66 66 ILE HD11 H 1 0.910 0.020 . 1 . . . . 65 ILE HD1 . 19080 2 328 . 1 1 66 66 ILE HD12 H 1 0.910 0.020 . 1 . . . . 65 ILE HD1 . 19080 2 329 . 1 1 66 66 ILE HD13 H 1 0.910 0.020 . 1 . . . . 65 ILE HD1 . 19080 2 330 . 1 1 66 66 ILE C C 13 174.726 0.400 . 1 . . . . 65 ILE C . 19080 2 331 . 1 1 66 66 ILE CA C 13 60.549 0.400 . 1 . . . . 65 ILE CA . 19080 2 332 . 1 1 66 66 ILE CB C 13 38.658 0.400 . 1 . . . . 65 ILE CB . 19080 2 333 . 1 1 66 66 ILE N N 15 125.254 0.400 . 1 . . . . 65 ILE N . 19080 2 334 . 1 1 67 67 GLU H H 1 8.669 0.020 . 1 . . . . 66 GLU H . 19080 2 335 . 1 1 67 67 GLU C C 13 174.738 0.400 . 1 . . . . 66 GLU C . 19080 2 336 . 1 1 67 67 GLU CA C 13 53.961 0.400 . 1 . . . . 66 GLU CA . 19080 2 337 . 1 1 67 67 GLU CB C 13 28.847 0.400 . 1 . . . . 66 GLU CB . 19080 2 338 . 1 1 67 67 GLU N N 15 125.192 0.400 . 1 . . . . 66 GLU N . 19080 2 339 . 1 1 68 68 PRO C C 13 176.534 0.400 . 1 . . . . 67 PRO C . 19080 2 340 . 1 1 68 68 PRO CA C 13 62.893 0.400 . 1 . . . . 67 PRO CA . 19080 2 341 . 1 1 68 68 PRO CB C 13 30.798 0.400 . 1 . . . . 67 PRO CB . 19080 2 342 . 1 1 69 69 SER H H 1 9.342 0.020 . 1 . . . . 68 SER H . 19080 2 343 . 1 1 69 69 SER C C 13 173.349 0.400 . 1 . . . . 68 SER C . 19080 2 344 . 1 1 69 69 SER CA C 13 58.685 0.400 . 1 . . . . 68 SER CA . 19080 2 345 . 1 1 69 69 SER CB C 13 64.849 0.400 . 1 . . . . 68 SER CB . 19080 2 346 . 1 1 69 69 SER N N 15 116.482 0.400 . 1 . . . . 68 SER N . 19080 2 347 . 1 1 70 70 TRP H H 1 7.871 0.020 . 1 . . . . 69 TRP H . 19080 2 348 . 1 1 70 70 TRP HA H 1 4.657 0.020 . 1 . . . . 69 TRP HA . 19080 2 349 . 1 1 70 70 TRP HB2 H 1 3.570 0.020 . 2 . . . . 69 TRP HB2 . 19080 2 350 . 1 1 70 70 TRP HB3 H 1 3.257 0.020 . 2 . . . . 69 TRP HB3 . 19080 2 351 . 1 1 70 70 TRP HE1 H 1 10.024 0.020 . 1 . . . . 69 TRP HE1 . 19080 2 352 . 1 1 70 70 TRP C C 13 172.361 0.400 . 1 . . . . 69 TRP C . 19080 2 353 . 1 1 70 70 TRP CA C 13 57.520 0.400 . 1 . . . . 69 TRP CA . 19080 2 354 . 1 1 70 70 TRP CB C 13 29.825 0.400 . 1 . . . . 69 TRP CB . 19080 2 355 . 1 1 70 70 TRP N N 15 123.606 0.400 . 1 . . . . 69 TRP N . 19080 2 356 . 1 1 70 70 TRP NE1 N 15 129.724 0.400 . 1 . . . . 69 TRP NE1 . 19080 2 357 . 1 1 71 71 ALA H H 1 7.097 0.020 . 1 . . . . 70 ALA H . 19080 2 358 . 1 1 71 71 ALA HA H 1 4.194 0.020 . 1 . . . . 70 ALA HA . 19080 2 359 . 1 1 71 71 ALA HB1 H 1 1.071 0.020 . 1 . . . . 70 ALA HB . 19080 2 360 . 1 1 71 71 ALA HB2 H 1 1.071 0.020 . 1 . . . . 70 ALA HB . 19080 2 361 . 1 1 71 71 ALA HB3 H 1 1.071 0.020 . 1 . . . . 70 ALA HB . 19080 2 362 . 1 1 71 71 ALA C C 13 174.713 0.400 . 1 . . . . 70 ALA C . 19080 2 363 . 1 1 71 71 ALA CA C 13 51.304 0.400 . 1 . . . . 70 ALA CA . 19080 2 364 . 1 1 71 71 ALA CB C 13 22.047 0.400 . 1 . . . . 70 ALA CB . 19080 2 365 . 1 1 71 71 ALA N N 15 125.415 0.400 . 1 . . . . 70 ALA N . 19080 2 366 . 1 1 72 72 ASP H H 1 7.631 0.020 . 1 . . . . 71 ASP H . 19080 2 367 . 1 1 72 72 ASP HA H 1 4.194 0.020 . 1 . . . . 71 ASP HA . 19080 2 368 . 1 1 72 72 ASP CA C 13 52.621 0.400 . 1 . . . . 71 ASP CA . 19080 2 369 . 1 1 72 72 ASP CB C 13 42.472 0.400 . 1 . . . . 71 ASP CB . 19080 2 370 . 1 1 72 72 ASP N N 15 117.568 0.400 . 1 . . . . 71 ASP N . 19080 2 371 . 1 1 73 73 VAL C C 13 178.395 0.400 . 1 . . . . 72 VAL C . 19080 2 372 . 1 1 73 73 VAL CA C 13 58.947 0.400 . 1 . . . . 72 VAL CA . 19080 2 373 . 1 1 74 74 LYS H H 1 7.381 0.020 . 1 . . . . 73 LYS H . 19080 2 374 . 1 1 74 74 LYS HA H 1 4.115 0.020 . 1 . . . . 73 LYS HA . 19080 2 375 . 1 1 74 74 LYS CA C 13 55.962 0.400 . 1 . . . . 73 LYS CA . 19080 2 376 . 1 1 74 74 LYS CB C 13 32.892 0.400 . 1 . . . . 73 LYS CB . 19080 2 377 . 1 1 74 74 LYS N N 15 116.460 0.400 . 1 . . . . 73 LYS N . 19080 2 378 . 1 1 75 75 LYS HB2 H 1 1.769 0.020 . 2 . . . . 74 LYS HB2 . 19080 2 379 . 1 1 75 75 LYS HB3 H 1 1.769 0.020 . 2 . . . . 74 LYS HB3 . 19080 2 380 . 1 1 75 75 LYS HG2 H 1 1.382 0.020 . 2 . . . . 74 LYS HG2 . 19080 2 381 . 1 1 75 75 LYS HG3 H 1 1.382 0.020 . 2 . . . . 74 LYS HG3 . 19080 2 382 . 1 1 75 75 LYS HE2 H 1 2.918 0.020 . 2 . . . . 74 LYS HE2 . 19080 2 383 . 1 1 75 75 LYS HE3 H 1 2.918 0.020 . 2 . . . . 74 LYS HE3 . 19080 2 384 . 1 1 75 75 LYS C C 13 175.569 0.400 . 1 . . . . 74 LYS C . 19080 2 385 . 1 1 75 75 LYS CA C 13 55.971 0.400 . 1 . . . . 74 LYS CA . 19080 2 386 . 1 1 75 75 LYS CB C 13 32.932 0.400 . 1 . . . . 74 LYS CB . 19080 2 387 . 1 1 76 76 ASP H H 1 7.974 0.020 . 1 . . . . 75 ASP H . 19080 2 388 . 1 1 76 76 ASP HA H 1 4.421 0.020 . 1 . . . . 75 ASP HA . 19080 2 389 . 1 1 76 76 ASP C C 13 175.291 0.400 . 1 . . . . 75 ASP C . 19080 2 390 . 1 1 76 76 ASP CA C 13 54.448 0.400 . 1 . . . . 75 ASP CA . 19080 2 391 . 1 1 76 76 ASP CB C 13 38.527 0.400 . 1 . . . . 75 ASP CB . 19080 2 392 . 1 1 76 76 ASP N N 15 117.081 0.400 . 1 . . . . 75 ASP N . 19080 2 393 . 1 1 77 77 LEU H H 1 7.717 0.020 . 1 . . . . 76 LEU H . 19080 2 394 . 1 1 77 77 LEU HA H 1 4.410 0.020 . 1 . . . . 76 LEU HA . 19080 2 395 . 1 1 77 77 LEU C C 13 177.774 0.400 . 1 . . . . 76 LEU C . 19080 2 396 . 1 1 77 77 LEU CA C 13 52.460 0.400 . 1 . . . . 76 LEU CA . 19080 2 397 . 1 1 77 77 LEU CB C 13 39.802 0.400 . 1 . . . . 76 LEU CB . 19080 2 398 . 1 1 77 77 LEU N N 15 116.803 0.400 . 1 . . . . 76 LEU N . 19080 2 399 . 1 1 78 78 ILE H H 1 8.027 0.020 . 1 . . . . 77 ILE H . 19080 2 400 . 1 1 78 78 ILE HA H 1 4.801 0.020 . 1 . . . . 77 ILE HA . 19080 2 401 . 1 1 78 78 ILE C C 13 175.810 0.400 . 1 . . . . 77 ILE C . 19080 2 402 . 1 1 78 78 ILE CA C 13 57.733 0.400 . 1 . . . . 77 ILE CA . 19080 2 403 . 1 1 78 78 ILE CB C 13 37.576 0.400 . 1 . . . . 77 ILE CB . 19080 2 404 . 1 1 78 78 ILE N N 15 117.852 0.400 . 1 . . . . 77 ILE N . 19080 2 405 . 1 1 79 79 SER C C 13 171.320 0.400 . 1 . . . . 78 SER C . 19080 2 406 . 1 1 80 80 TYR H H 1 9.972 0.020 . 1 . . . . 79 TYR H . 19080 2 407 . 1 1 80 80 TYR HA H 1 5.304 0.020 . 1 . . . . 79 TYR HA . 19080 2 408 . 1 1 80 80 TYR HD1 H 1 6.592 0.020 . 1 . . . . 79 TYR HD1 . 19080 2 409 . 1 1 80 80 TYR HD2 H 1 6.592 0.020 . 1 . . . . 79 TYR HD2 . 19080 2 410 . 1 1 80 80 TYR HE1 H 1 6.875 0.020 . 1 . . . . 79 TYR HE1 . 19080 2 411 . 1 1 80 80 TYR HE2 H 1 6.875 0.020 . 1 . . . . 79 TYR HE2 . 19080 2 412 . 1 1 80 80 TYR C C 13 175.579 0.400 . 1 . . . . 79 TYR C . 19080 2 413 . 1 1 80 80 TYR CA C 13 56.736 0.400 . 1 . . . . 79 TYR CA . 19080 2 414 . 1 1 80 80 TYR CB C 13 40.434 0.400 . 1 . . . . 79 TYR CB . 19080 2 415 . 1 1 80 80 TYR N N 15 120.860 0.400 . 1 . . . . 79 TYR N . 19080 2 416 . 1 1 81 81 GLY H H 1 8.418 0.020 . 1 . . . . 80 GLY H . 19080 2 417 . 1 1 81 81 GLY HA2 H 1 3.867 0.020 . 2 . . . . 80 GLY HA2 . 19080 2 418 . 1 1 81 81 GLY HA3 H 1 3.867 0.020 . 2 . . . . 80 GLY HA3 . 19080 2 419 . 1 1 81 81 GLY C C 13 172.959 0.400 . 1 . . . . 80 GLY C . 19080 2 420 . 1 1 81 81 GLY CA C 13 45.346 0.400 . 1 . . . . 80 GLY CA . 19080 2 421 . 1 1 81 81 GLY N N 15 112.492 0.400 . 1 . . . . 80 GLY N . 19080 2 422 . 1 1 82 82 GLY H H 1 7.440 0.020 . 1 . . . . 81 GLY H . 19080 2 423 . 1 1 82 82 GLY HA2 H 1 3.926 0.020 . 2 . . . . 81 GLY HA2 . 19080 2 424 . 1 1 82 82 GLY HA3 H 1 3.602 0.020 . 2 . . . . 81 GLY HA3 . 19080 2 425 . 1 1 82 82 GLY C C 13 172.490 0.400 . 1 . . . . 81 GLY C . 19080 2 426 . 1 1 82 82 GLY CA C 13 43.650 0.400 . 1 . . . . 81 GLY CA . 19080 2 427 . 1 1 82 82 GLY N N 15 107.339 0.400 . 1 . . . . 81 GLY N . 19080 2 428 . 1 1 83 83 GLY H H 1 8.358 0.020 . 1 . . . . 82 GLY H . 19080 2 429 . 1 1 83 83 GLY HA2 H 1 3.944 0.020 . 2 . . . . 82 GLY HA2 . 19080 2 430 . 1 1 83 83 GLY HA3 H 1 3.944 0.020 . 2 . . . . 82 GLY HA3 . 19080 2 431 . 1 1 83 83 GLY C C 13 172.146 0.400 . 1 . . . . 82 GLY C . 19080 2 432 . 1 1 83 83 GLY CA C 13 43.385 0.400 . 1 . . . . 82 GLY CA . 19080 2 433 . 1 1 83 83 GLY N N 15 105.602 0.400 . 1 . . . . 82 GLY N . 19080 2 434 . 1 1 84 84 TRP H H 1 7.928 0.020 . 1 . . . . 83 TRP H . 19080 2 435 . 1 1 84 84 TRP HE1 H 1 10.730 0.020 . 1 . . . . 83 TRP HE1 . 19080 2 436 . 1 1 84 84 TRP CA C 13 55.920 0.400 . 1 . . . . 83 TRP CA . 19080 2 437 . 1 1 84 84 TRP CB C 13 29.591 0.400 . 1 . . . . 83 TRP CB . 19080 2 438 . 1 1 84 84 TRP N N 15 119.521 0.400 . 1 . . . . 83 TRP N . 19080 2 439 . 1 1 84 84 TRP NE1 N 15 131.585 0.400 . 1 . . . . 83 TRP NE1 . 19080 2 440 . 1 1 85 85 LYS C C 13 176.649 0.400 . 1 . . . . 84 LYS C . 19080 2 441 . 1 1 85 85 LYS CA C 13 53.521 0.400 . 1 . . . . 84 LYS CA . 19080 2 442 . 1 1 86 86 LEU H H 1 5.776 0.020 . 1 . . . . 85 LEU H . 19080 2 443 . 1 1 86 86 LEU HA H 1 4.015 0.020 . 1 . . . . 85 LEU HA . 19080 2 444 . 1 1 86 86 LEU CA C 13 54.450 0.400 . 1 . . . . 85 LEU CA . 19080 2 445 . 1 1 86 86 LEU CB C 13 38.079 0.400 . 1 . . . . 85 LEU CB . 19080 2 446 . 1 1 86 86 LEU N N 15 117.722 0.400 . 1 . . . . 85 LEU N . 19080 2 447 . 1 1 87 87 GLU C C 13 177.653 0.400 . 1 . . . . 86 GLU C . 19080 2 448 . 1 1 87 87 GLU CA C 13 55.923 0.400 . 1 . . . . 86 GLU CA . 19080 2 449 . 1 1 88 88 GLY H H 1 8.281 0.020 . 1 . . . . 87 GLY H . 19080 2 450 . 1 1 88 88 GLY C C 13 174.633 0.400 . 1 . . . . 87 GLY C . 19080 2 451 . 1 1 88 88 GLY CA C 13 44.785 0.400 . 1 . . . . 87 GLY CA . 19080 2 452 . 1 1 88 88 GLY N N 15 114.097 0.400 . 1 . . . . 87 GLY N . 19080 2 453 . 1 1 90 90 TRP C C 13 179.021 0.400 . 1 . . . . 89 TRP C . 19080 2 454 . 1 1 90 90 TRP CA C 13 59.476 0.400 . 1 . . . . 89 TRP CA . 19080 2 455 . 1 1 90 90 TRP CB C 13 28.976 0.400 . 1 . . . . 89 TRP CB . 19080 2 456 . 1 1 91 91 LYS H H 1 11.315 0.020 . 1 . . . . 90 LYS H . 19080 2 457 . 1 1 91 91 LYS HA H 1 4.000 0.020 . 1 . . . . 90 LYS HA . 19080 2 458 . 1 1 91 91 LYS HG2 H 1 1.652 0.020 . 2 . . . . 90 LYS HG2 . 19080 2 459 . 1 1 91 91 LYS HG3 H 1 1.652 0.020 . 2 . . . . 90 LYS HG3 . 19080 2 460 . 1 1 91 91 LYS C C 13 176.594 0.400 . 1 . . . . 90 LYS C . 19080 2 461 . 1 1 91 91 LYS CA C 13 53.691 0.400 . 1 . . . . 90 LYS CA . 19080 2 462 . 1 1 91 91 LYS CB C 13 33.810 0.400 . 1 . . . . 90 LYS CB . 19080 2 463 . 1 1 91 91 LYS N N 15 127.405 0.400 . 1 . . . . 90 LYS N . 19080 2 464 . 1 1 92 92 GLU HA H 1 4.493 0.020 . 1 . . . . 91 GLU HA . 19080 2 465 . 1 1 92 92 GLU C C 13 176.547 0.400 . 1 . . . . 91 GLU C . 19080 2 466 . 1 1 92 92 GLU CA C 13 55.784 0.400 . 1 . . . . 91 GLU CA . 19080 2 467 . 1 1 92 92 GLU CB C 13 30.739 0.400 . 1 . . . . 91 GLU CB . 19080 2 468 . 1 1 93 93 GLY H H 1 7.880 0.020 . 1 . . . . 92 GLY H . 19080 2 469 . 1 1 93 93 GLY HA2 H 1 3.986 0.020 . 2 . . . . 92 GLY HA2 . 19080 2 470 . 1 1 93 93 GLY HA3 H 1 3.243 0.020 . 2 . . . . 92 GLY HA3 . 19080 2 471 . 1 1 93 93 GLY C C 13 172.274 0.400 . 1 . . . . 92 GLY C . 19080 2 472 . 1 1 93 93 GLY CA C 13 45.581 0.400 . 1 . . . . 92 GLY CA . 19080 2 473 . 1 1 93 93 GLY N N 15 109.694 0.400 . 1 . . . . 92 GLY N . 19080 2 474 . 1 1 94 94 GLU H H 1 8.644 0.020 . 1 . . . . 93 GLU H . 19080 2 475 . 1 1 94 94 GLU C C 13 175.470 0.400 . 1 . . . . 93 GLU C . 19080 2 476 . 1 1 94 94 GLU CA C 13 54.815 0.400 . 1 . . . . 93 GLU CA . 19080 2 477 . 1 1 94 94 GLU CB C 13 30.673 0.400 . 1 . . . . 93 GLU CB . 19080 2 478 . 1 1 94 94 GLU N N 15 123.559 0.400 . 1 . . . . 93 GLU N . 19080 2 479 . 1 1 95 95 GLU H H 1 8.789 0.020 . 1 . . . . 94 GLU H . 19080 2 480 . 1 1 95 95 GLU HA H 1 4.518 0.020 . 1 . . . . 94 GLU HA . 19080 2 481 . 1 1 95 95 GLU HB2 H 1 1.950 0.020 . 2 . . . . 94 GLU HB2 . 19080 2 482 . 1 1 95 95 GLU HB3 H 1 1.950 0.020 . 2 . . . . 94 GLU HB3 . 19080 2 483 . 1 1 95 95 GLU HG2 H 1 2.236 0.020 . 2 . . . . 94 GLU HG2 . 19080 2 484 . 1 1 95 95 GLU HG3 H 1 2.236 0.020 . 2 . . . . 94 GLU HG3 . 19080 2 485 . 1 1 95 95 GLU C C 13 175.543 0.400 . 1 . . . . 94 GLU C . 19080 2 486 . 1 1 95 95 GLU CA C 13 56.872 0.400 . 1 . . . . 94 GLU CA . 19080 2 487 . 1 1 95 95 GLU CB C 13 30.837 0.400 . 1 . . . . 94 GLU CB . 19080 2 488 . 1 1 95 95 GLU N N 15 120.689 0.400 . 1 . . . . 94 GLU N . 19080 2 489 . 1 1 96 96 VAL H H 1 8.798 0.020 . 1 . . . . 95 VAL H . 19080 2 490 . 1 1 96 96 VAL HG11 H 1 0.944 0.020 . 2 . . . . 95 VAL HG1 . 19080 2 491 . 1 1 96 96 VAL HG12 H 1 0.944 0.020 . 2 . . . . 95 VAL HG1 . 19080 2 492 . 1 1 96 96 VAL HG13 H 1 0.944 0.020 . 2 . . . . 95 VAL HG1 . 19080 2 493 . 1 1 96 96 VAL HG21 H 1 0.480 0.020 . 2 . . . . 95 VAL HG2 . 19080 2 494 . 1 1 96 96 VAL HG22 H 1 0.480 0.020 . 2 . . . . 95 VAL HG2 . 19080 2 495 . 1 1 96 96 VAL HG23 H 1 0.480 0.020 . 2 . . . . 95 VAL HG2 . 19080 2 496 . 1 1 96 96 VAL C C 13 174.885 0.400 . 1 . . . . 95 VAL C . 19080 2 497 . 1 1 96 96 VAL CA C 13 58.249 0.400 . 1 . . . . 95 VAL CA . 19080 2 498 . 1 1 96 96 VAL CB C 13 34.999 0.400 . 1 . . . . 95 VAL CB . 19080 2 499 . 1 1 96 96 VAL N N 15 109.745 0.400 . 1 . . . . 95 VAL N . 19080 2 500 . 1 1 97 97 GLN H H 1 9.123 0.020 . 1 . . . . 96 GLN H . 19080 2 501 . 1 1 97 97 GLN HA H 1 5.127 0.020 . 1 . . . . 96 GLN HA . 19080 2 502 . 1 1 97 97 GLN C C 13 175.940 0.400 . 1 . . . . 96 GLN C . 19080 2 503 . 1 1 97 97 GLN CA C 13 53.209 0.400 . 1 . . . . 96 GLN CA . 19080 2 504 . 1 1 97 97 GLN CB C 13 29.291 0.400 . 1 . . . . 96 GLN CB . 19080 2 505 . 1 1 97 97 GLN N N 15 116.554 0.400 . 1 . . . . 96 GLN N . 19080 2 506 . 1 1 98 98 VAL H H 1 8.929 0.020 . 1 . . . . 97 VAL H . 19080 2 507 . 1 1 98 98 VAL HA H 1 5.127 0.020 . 1 . . . . 97 VAL HA . 19080 2 508 . 1 1 98 98 VAL HB H 1 1.852 0.020 . 1 . . . . 97 VAL HB . 19080 2 509 . 1 1 98 98 VAL HG11 H 1 0.857 0.020 . 2 . . . . 97 VAL HG1 . 19080 2 510 . 1 1 98 98 VAL HG12 H 1 0.857 0.020 . 2 . . . . 97 VAL HG1 . 19080 2 511 . 1 1 98 98 VAL HG13 H 1 0.857 0.020 . 2 . . . . 97 VAL HG1 . 19080 2 512 . 1 1 98 98 VAL HG21 H 1 0.857 0.020 . 2 . . . . 97 VAL HG2 . 19080 2 513 . 1 1 98 98 VAL HG22 H 1 0.857 0.020 . 2 . . . . 97 VAL HG2 . 19080 2 514 . 1 1 98 98 VAL HG23 H 1 0.857 0.020 . 2 . . . . 97 VAL HG2 . 19080 2 515 . 1 1 98 98 VAL C C 13 174.655 0.400 . 1 . . . . 97 VAL C . 19080 2 516 . 1 1 98 98 VAL CA C 13 60.730 0.400 . 1 . . . . 97 VAL CA . 19080 2 517 . 1 1 98 98 VAL CB C 13 31.404 0.400 . 1 . . . . 97 VAL CB . 19080 2 518 . 1 1 98 98 VAL N N 15 120.935 0.400 . 1 . . . . 97 VAL N . 19080 2 519 . 1 1 99 99 LEU H H 1 8.222 0.020 . 1 . . . . 98 LEU H . 19080 2 520 . 1 1 99 99 LEU HA H 1 4.388 0.020 . 1 . . . . 98 LEU HA . 19080 2 521 . 1 1 99 99 LEU C C 13 173.040 0.400 . 1 . . . . 98 LEU C . 19080 2 522 . 1 1 99 99 LEU CA C 13 52.515 0.400 . 1 . . . . 98 LEU CA . 19080 2 523 . 1 1 99 99 LEU CB C 13 38.735 0.400 . 1 . . . . 98 LEU CB . 19080 2 524 . 1 1 99 99 LEU N N 15 131.224 0.400 . 1 . . . . 98 LEU N . 19080 2 525 . 1 1 100 100 ALA H H 1 7.945 0.020 . 1 . . . . 99 ALA H . 19080 2 526 . 1 1 100 100 ALA HA H 1 4.366 0.020 . 1 . . . . 99 ALA HA . 19080 2 527 . 1 1 100 100 ALA HB1 H 1 1.368 0.020 . 1 . . . . 99 ALA HB . 19080 2 528 . 1 1 100 100 ALA HB2 H 1 1.368 0.020 . 1 . . . . 99 ALA HB . 19080 2 529 . 1 1 100 100 ALA HB3 H 1 1.368 0.020 . 1 . . . . 99 ALA HB . 19080 2 530 . 1 1 100 100 ALA C C 13 177.961 0.400 . 1 . . . . 99 ALA C . 19080 2 531 . 1 1 100 100 ALA CA C 13 52.039 0.400 . 1 . . . . 99 ALA CA . 19080 2 532 . 1 1 100 100 ALA CB C 13 17.274 0.400 . 1 . . . . 99 ALA CB . 19080 2 533 . 1 1 100 100 ALA N N 15 123.953 0.400 . 1 . . . . 99 ALA N . 19080 2 534 . 1 1 101 101 LEU H H 1 7.798 0.020 . 1 . . . . 100 LEU H . 19080 2 535 . 1 1 101 101 LEU CA C 13 51.747 0.400 . 1 . . . . 100 LEU CA . 19080 2 536 . 1 1 101 101 LEU CB C 13 38.526 0.400 . 1 . . . . 100 LEU CB . 19080 2 537 . 1 1 101 101 LEU N N 15 128.512 0.400 . 1 . . . . 100 LEU N . 19080 2 538 . 1 1 103 103 PRO C C 13 177.865 0.400 . 1 . . . . 102 PRO C . 19080 2 539 . 1 1 103 103 PRO CA C 13 63.276 0.400 . 1 . . . . 102 PRO CA . 19080 2 540 . 1 1 103 103 PRO CB C 13 30.761 0.400 . 1 . . . . 102 PRO CB . 19080 2 541 . 1 1 104 104 GLY H H 1 8.837 0.020 . 1 . . . . 103 GLY H . 19080 2 542 . 1 1 104 104 GLY HA2 H 1 4.018 0.020 . 2 . . . . 103 GLY HA2 . 19080 2 543 . 1 1 104 104 GLY HA3 H 1 4.018 0.020 . 2 . . . . 103 GLY HA3 . 19080 2 544 . 1 1 104 104 GLY C C 13 173.280 0.400 . 1 . . . . 103 GLY C . 19080 2 545 . 1 1 104 104 GLY CA C 13 45.315 0.400 . 1 . . . . 103 GLY CA . 19080 2 546 . 1 1 104 104 GLY N N 15 111.364 0.400 . 1 . . . . 103 GLY N . 19080 2 547 . 1 1 105 105 LYS H H 1 7.712 0.020 . 1 . . . . 104 LYS H . 19080 2 548 . 1 1 105 105 LYS HG2 H 1 1.429 0.020 . 2 . . . . 104 LYS HG2 . 19080 2 549 . 1 1 105 105 LYS HG3 H 1 1.429 0.020 . 2 . . . . 104 LYS HG3 . 19080 2 550 . 1 1 105 105 LYS C C 13 176.135 0.400 . 1 . . . . 104 LYS C . 19080 2 551 . 1 1 105 105 LYS CA C 13 53.252 0.400 . 1 . . . . 104 LYS CA . 19080 2 552 . 1 1 105 105 LYS CB C 13 34.519 0.400 . 1 . . . . 104 LYS CB . 19080 2 553 . 1 1 105 105 LYS N N 15 118.221 0.400 . 1 . . . . 104 LYS N . 19080 2 554 . 1 1 106 106 ASN H H 1 8.745 0.020 . 1 . . . . 105 ASN H . 19080 2 555 . 1 1 106 106 ASN HA H 1 4.756 0.020 . 1 . . . . 105 ASN HA . 19080 2 556 . 1 1 106 106 ASN HB2 H 1 2.926 0.020 . 2 . . . . 105 ASN HB2 . 19080 2 557 . 1 1 106 106 ASN HB3 H 1 2.634 0.020 . 2 . . . . 105 ASN HB3 . 19080 2 558 . 1 1 106 106 ASN HD21 H 1 7.717 0.020 . 2 . . . . 105 ASN HD21 . 19080 2 559 . 1 1 106 106 ASN HD22 H 1 6.969 0.020 . 2 . . . . 105 ASN HD22 . 19080 2 560 . 1 1 106 106 ASN C C 13 173.694 0.400 . 1 . . . . 105 ASN C . 19080 2 561 . 1 1 106 106 ASN CA C 13 51.617 0.400 . 1 . . . . 105 ASN CA . 19080 2 562 . 1 1 106 106 ASN CB C 13 35.880 0.400 . 1 . . . . 105 ASN CB . 19080 2 563 . 1 1 106 106 ASN N N 15 120.268 0.400 . 1 . . . . 105 ASN N . 19080 2 564 . 1 1 106 106 ASN ND2 N 15 112.923 0.400 . 1 . . . . 105 ASN ND2 . 19080 2 565 . 1 1 107 107 PRO HA H 1 4.509 0.020 . 1 . . . . 106 PRO HA . 19080 2 566 . 1 1 107 107 PRO C C 13 174.758 0.400 . 1 . . . . 106 PRO C . 19080 2 567 . 1 1 107 107 PRO CA C 13 63.236 0.400 . 1 . . . . 106 PRO CA . 19080 2 568 . 1 1 107 107 PRO CB C 13 30.691 0.400 . 1 . . . . 106 PRO CB . 19080 2 569 . 1 1 108 108 ARG H H 1 7.981 0.020 . 1 . . . . 107 ARG H . 19080 2 570 . 1 1 108 108 ARG HA H 1 4.364 0.020 . 1 . . . . 107 ARG HA . 19080 2 571 . 1 1 108 108 ARG HB2 H 1 1.766 0.020 . 2 . . . . 107 ARG HB2 . 19080 2 572 . 1 1 108 108 ARG HB3 H 1 1.766 0.020 . 2 . . . . 107 ARG HB3 . 19080 2 573 . 1 1 108 108 ARG C C 13 172.253 0.400 . 1 . . . . 107 ARG C . 19080 2 574 . 1 1 108 108 ARG CA C 13 54.685 0.400 . 1 . . . . 107 ARG CA . 19080 2 575 . 1 1 108 108 ARG CB C 13 32.822 0.400 . 1 . . . . 107 ARG CB . 19080 2 576 . 1 1 108 108 ARG N N 15 123.120 0.400 . 1 . . . . 107 ARG N . 19080 2 577 . 1 1 109 109 ALA H H 1 8.528 0.020 . 1 . . . . 108 ALA H . 19080 2 578 . 1 1 109 109 ALA HA H 1 4.561 0.020 . 1 . . . . 108 ALA HA . 19080 2 579 . 1 1 109 109 ALA HB1 H 1 1.002 0.020 . 1 . . . . 108 ALA HB . 19080 2 580 . 1 1 109 109 ALA HB2 H 1 1.002 0.020 . 1 . . . . 108 ALA HB . 19080 2 581 . 1 1 109 109 ALA HB3 H 1 1.002 0.020 . 1 . . . . 108 ALA HB . 19080 2 582 . 1 1 109 109 ALA C C 13 176.614 0.400 . 1 . . . . 108 ALA C . 19080 2 583 . 1 1 109 109 ALA CA C 13 50.180 0.400 . 1 . . . . 108 ALA CA . 19080 2 584 . 1 1 109 109 ALA CB C 13 19.242 0.400 . 1 . . . . 108 ALA CB . 19080 2 585 . 1 1 109 109 ALA N N 15 127.036 0.400 . 1 . . . . 108 ALA N . 19080 2 586 . 1 1 110 110 VAL H H 1 8.544 0.020 . 1 . . . . 109 VAL H . 19080 2 587 . 1 1 110 110 VAL HA H 1 5.056 0.020 . 1 . . . . 109 VAL HA . 19080 2 588 . 1 1 110 110 VAL HB H 1 1.931 0.020 . 1 . . . . 109 VAL HB . 19080 2 589 . 1 1 110 110 VAL HG21 H 1 0.923 0.020 . 2 . . . . 109 VAL HG2 . 19080 2 590 . 1 1 110 110 VAL HG22 H 1 0.923 0.020 . 2 . . . . 109 VAL HG2 . 19080 2 591 . 1 1 110 110 VAL HG23 H 1 0.923 0.020 . 2 . . . . 109 VAL HG2 . 19080 2 592 . 1 1 110 110 VAL C C 13 173.897 0.400 . 1 . . . . 109 VAL C . 19080 2 593 . 1 1 110 110 VAL CA C 13 61.214 0.400 . 1 . . . . 109 VAL CA . 19080 2 594 . 1 1 110 110 VAL CB C 13 33.564 0.400 . 1 . . . . 109 VAL CB . 19080 2 595 . 1 1 110 110 VAL N N 15 122.243 0.400 . 1 . . . . 109 VAL N . 19080 2 596 . 1 1 111 111 GLN H H 1 9.338 0.020 . 1 . . . . 110 GLN H . 19080 2 597 . 1 1 111 111 GLN HA H 1 4.377 0.020 . 1 . . . . 110 GLN HA . 19080 2 598 . 1 1 111 111 GLN HB2 H 1 1.925 0.020 . 2 . . . . 110 GLN HB2 . 19080 2 599 . 1 1 111 111 GLN HB3 H 1 1.925 0.020 . 2 . . . . 110 GLN HB3 . 19080 2 600 . 1 1 111 111 GLN HG2 H 1 2.238 0.020 . 2 . . . . 110 GLN HG2 . 19080 2 601 . 1 1 111 111 GLN HG3 H 1 2.238 0.020 . 2 . . . . 110 GLN HG3 . 19080 2 602 . 1 1 111 111 GLN C C 13 173.722 0.400 . 1 . . . . 110 GLN C . 19080 2 603 . 1 1 111 111 GLN CA C 13 54.042 0.400 . 1 . . . . 110 GLN CA . 19080 2 604 . 1 1 111 111 GLN CB C 13 30.215 0.400 . 1 . . . . 110 GLN CB . 19080 2 605 . 1 1 111 111 GLN N N 15 129.805 0.400 . 1 . . . . 110 GLN N . 19080 2 606 . 1 1 112 112 THR H H 1 9.137 0.020 . 1 . . . . 111 THR H . 19080 2 607 . 1 1 112 112 THR HA H 1 5.106 0.020 . 1 . . . . 111 THR HA . 19080 2 608 . 1 1 112 112 THR C C 13 170.561 0.400 . 1 . . . . 111 THR C . 19080 2 609 . 1 1 112 112 THR CA C 13 60.064 0.400 . 1 . . . . 111 THR CA . 19080 2 610 . 1 1 112 112 THR CB C 13 69.767 0.400 . 1 . . . . 111 THR CB . 19080 2 611 . 1 1 112 112 THR N N 15 117.964 0.400 . 1 . . . . 111 THR N . 19080 2 612 . 1 1 113 113 LYS H H 1 7.972 0.020 . 1 . . . . 112 LYS H . 19080 2 613 . 1 1 113 113 LYS HA H 1 4.982 0.020 . 1 . . . . 112 LYS HA . 19080 2 614 . 1 1 113 113 LYS CA C 13 52.581 0.400 . 1 . . . . 112 LYS CA . 19080 2 615 . 1 1 113 113 LYS CB C 13 31.903 0.400 . 1 . . . . 112 LYS CB . 19080 2 616 . 1 1 113 113 LYS N N 15 127.313 0.400 . 1 . . . . 112 LYS N . 19080 2 617 . 1 1 114 114 PRO C C 13 176.900 0.400 . 1 . . . . 113 PRO C . 19080 2 618 . 1 1 114 114 PRO CA C 13 63.077 0.400 . 1 . . . . 113 PRO CA . 19080 2 619 . 1 1 114 114 PRO CB C 13 33.743 0.400 . 1 . . . . 113 PRO CB . 19080 2 620 . 1 1 115 115 GLY H H 1 8.565 0.020 . 1 . . . . 114 GLY H . 19080 2 621 . 1 1 115 115 GLY HA2 H 1 3.988 0.020 . 2 . . . . 114 GLY HA2 . 19080 2 622 . 1 1 115 115 GLY HA3 H 1 3.988 0.020 . 2 . . . . 114 GLY HA3 . 19080 2 623 . 1 1 115 115 GLY C C 13 173.684 0.400 . 1 . . . . 114 GLY C . 19080 2 624 . 1 1 115 115 GLY CA C 13 44.747 0.400 . 1 . . . . 114 GLY CA . 19080 2 625 . 1 1 115 115 GLY N N 15 110.340 0.400 . 1 . . . . 114 GLY N . 19080 2 626 . 1 1 117 117 PHE H H 1 9.459 0.020 . 1 . . . . 116 PHE H . 19080 2 627 . 1 1 117 117 PHE HA H 1 5.013 0.020 . 1 . . . . 116 PHE HA . 19080 2 628 . 1 1 117 117 PHE HE1 H 1 7.029 0.020 . 1 . . . . 116 PHE HE1 . 19080 2 629 . 1 1 117 117 PHE HE2 H 1 7.029 0.020 . 1 . . . . 116 PHE HE2 . 19080 2 630 . 1 1 117 117 PHE C C 13 176.164 0.400 . 1 . . . . 116 PHE C . 19080 2 631 . 1 1 117 117 PHE CA C 13 54.473 0.400 . 1 . . . . 116 PHE CA . 19080 2 632 . 1 1 117 117 PHE CB C 13 37.998 0.400 . 1 . . . . 116 PHE CB . 19080 2 633 . 1 1 117 117 PHE N N 15 119.200 0.400 . 1 . . . . 116 PHE N . 19080 2 634 . 1 1 118 118 LYS H H 1 9.257 0.020 . 1 . . . . 117 LYS H . 19080 2 635 . 1 1 118 118 LYS HA H 1 3.999 0.020 . 1 . . . . 117 LYS HA . 19080 2 636 . 1 1 118 118 LYS C C 13 176.362 0.400 . 1 . . . . 117 LYS C . 19080 2 637 . 1 1 118 118 LYS CA C 13 55.604 0.400 . 1 . . . . 117 LYS CA . 19080 2 638 . 1 1 118 118 LYS CB C 13 30.814 0.400 . 1 . . . . 117 LYS CB . 19080 2 639 . 1 1 118 118 LYS N N 15 121.959 0.400 . 1 . . . . 117 LYS N . 19080 2 640 . 1 1 119 119 THR H H 1 8.035 0.020 . 1 . . . . 118 THR H . 19080 2 641 . 1 1 119 119 THR HA H 1 4.715 0.020 . 1 . . . . 118 THR HA . 19080 2 642 . 1 1 119 119 THR C C 13 173.998 0.400 . 1 . . . . 118 THR C . 19080 2 643 . 1 1 119 119 THR CA C 13 59.340 0.400 . 1 . . . . 118 THR CA . 19080 2 644 . 1 1 119 119 THR CB C 13 71.587 0.400 . 1 . . . . 118 THR CB . 19080 2 645 . 1 1 119 119 THR N N 15 115.133 0.400 . 1 . . . . 118 THR N . 19080 2 646 . 1 1 120 120 ASN H H 1 7.937 0.020 . 1 . . . . 119 ASN H . 19080 2 647 . 1 1 120 120 ASN C C 13 174.778 0.400 . 1 . . . . 119 ASN C . 19080 2 648 . 1 1 120 120 ASN CA C 13 52.192 0.400 . 1 . . . . 119 ASN CA . 19080 2 649 . 1 1 120 120 ASN CB C 13 38.163 0.400 . 1 . . . . 119 ASN CB . 19080 2 650 . 1 1 120 120 ASN N N 15 122.468 0.400 . 1 . . . . 119 ASN N . 19080 2 651 . 1 1 121 121 ALA H H 1 8.428 0.020 . 1 . . . . 120 ALA H . 19080 2 652 . 1 1 121 121 ALA HA H 1 4.252 0.020 . 1 . . . . 120 ALA HA . 19080 2 653 . 1 1 121 121 ALA HB1 H 1 1.328 0.020 . 1 . . . . 120 ALA HB . 19080 2 654 . 1 1 121 121 ALA HB2 H 1 1.328 0.020 . 1 . . . . 120 ALA HB . 19080 2 655 . 1 1 121 121 ALA HB3 H 1 1.328 0.020 . 1 . . . . 120 ALA HB . 19080 2 656 . 1 1 121 121 ALA C C 13 176.432 0.400 . 1 . . . . 120 ALA C . 19080 2 657 . 1 1 121 121 ALA CA C 13 51.072 0.400 . 1 . . . . 120 ALA CA . 19080 2 658 . 1 1 121 121 ALA CB C 13 18.978 0.400 . 1 . . . . 120 ALA CB . 19080 2 659 . 1 1 121 121 ALA N N 15 122.371 0.400 . 1 . . . . 120 ALA N . 19080 2 660 . 1 1 122 122 GLY H H 1 7.464 0.020 . 1 . . . . 121 GLY H . 19080 2 661 . 1 1 122 122 GLY HA2 H 1 4.570 0.020 . 2 . . . . 121 GLY HA2 . 19080 2 662 . 1 1 122 122 GLY HA3 H 1 3.964 0.020 . 2 . . . . 121 GLY HA3 . 19080 2 663 . 1 1 122 122 GLY C C 13 173.961 0.400 . 1 . . . . 121 GLY C . 19080 2 664 . 1 1 122 122 GLY CA C 13 44.012 0.400 . 1 . . . . 121 GLY CA . 19080 2 665 . 1 1 122 122 GLY N N 15 107.806 0.400 . 1 . . . . 121 GLY N . 19080 2 666 . 1 1 123 123 THR H H 1 8.721 0.020 . 1 . . . . 122 THR H . 19080 2 667 . 1 1 123 123 THR HA H 1 4.529 0.020 . 1 . . . . 122 THR HA . 19080 2 668 . 1 1 123 123 THR HG21 H 1 1.263 0.020 . 1 . . . . 122 THR HG2 . 19080 2 669 . 1 1 123 123 THR HG22 H 1 1.263 0.020 . 1 . . . . 122 THR HG2 . 19080 2 670 . 1 1 123 123 THR HG23 H 1 1.263 0.020 . 1 . . . . 122 THR HG2 . 19080 2 671 . 1 1 123 123 THR C C 13 174.579 0.400 . 1 . . . . 122 THR C . 19080 2 672 . 1 1 123 123 THR CA C 13 61.054 0.400 . 1 . . . . 122 THR CA . 19080 2 673 . 1 1 123 123 THR CB C 13 70.160 0.400 . 1 . . . . 122 THR CB . 19080 2 674 . 1 1 123 123 THR N N 15 116.947 0.400 . 1 . . . . 122 THR N . 19080 2 675 . 1 1 124 124 ILE H H 1 9.055 0.020 . 1 . . . . 123 ILE H . 19080 2 676 . 1 1 124 124 ILE HA H 1 5.469 0.020 . 1 . . . . 123 ILE HA . 19080 2 677 . 1 1 124 124 ILE HD11 H 1 0.946 0.020 . 1 . . . . 123 ILE HD1 . 19080 2 678 . 1 1 124 124 ILE HD12 H 1 0.946 0.020 . 1 . . . . 123 ILE HD1 . 19080 2 679 . 1 1 124 124 ILE HD13 H 1 0.946 0.020 . 1 . . . . 123 ILE HD1 . 19080 2 680 . 1 1 124 124 ILE C C 13 175.044 0.400 . 1 . . . . 123 ILE C . 19080 2 681 . 1 1 124 124 ILE CA C 13 59.397 0.400 . 1 . . . . 123 ILE CA . 19080 2 682 . 1 1 124 124 ILE CB C 13 41.899 0.400 . 1 . . . . 123 ILE CB . 19080 2 683 . 1 1 124 124 ILE N N 15 123.446 0.400 . 1 . . . . 123 ILE N . 19080 2 684 . 1 1 125 125 GLY H H 1 8.185 0.020 . 1 . . . . 124 GLY H . 19080 2 685 . 1 1 125 125 GLY HA2 H 1 4.797 0.020 . 2 . . . . 124 GLY HA2 . 19080 2 686 . 1 1 125 125 GLY HA3 H 1 4.500 0.020 . 2 . . . . 124 GLY HA3 . 19080 2 687 . 1 1 125 125 GLY C C 13 174.479 0.400 . 1 . . . . 124 GLY C . 19080 2 688 . 1 1 125 125 GLY CA C 13 45.587 0.400 . 1 . . . . 124 GLY CA . 19080 2 689 . 1 1 125 125 GLY N N 15 112.610 0.400 . 1 . . . . 124 GLY N . 19080 2 690 . 1 1 126 126 ALA H H 1 8.087 0.020 . 1 . . . . 125 ALA H . 19080 2 691 . 1 1 126 126 ALA C C 13 177.796 0.400 . 1 . . . . 125 ALA C . 19080 2 692 . 1 1 126 126 ALA CA C 13 52.567 0.400 . 1 . . . . 125 ALA CA . 19080 2 693 . 1 1 126 126 ALA CB C 13 18.296 0.400 . 1 . . . . 125 ALA CB . 19080 2 694 . 1 1 126 126 ALA N N 15 123.153 0.400 . 1 . . . . 125 ALA N . 19080 2 695 . 1 1 128 128 SER C C 13 173.006 0.400 . 1 . . . . 127 SER C . 19080 2 696 . 1 1 128 128 SER CA C 13 54.969 0.400 . 1 . . . . 127 SER CA . 19080 2 697 . 1 1 129 129 LEU H H 1 7.343 0.020 . 1 . . . . 128 LEU H . 19080 2 698 . 1 1 129 129 LEU HA H 1 4.462 0.020 . 1 . . . . 128 LEU HA . 19080 2 699 . 1 1 129 129 LEU HD11 H 1 0.750 0.020 . 2 . . . . 128 LEU HD1 . 19080 2 700 . 1 1 129 129 LEU HD12 H 1 0.750 0.020 . 2 . . . . 128 LEU HD1 . 19080 2 701 . 1 1 129 129 LEU HD13 H 1 0.750 0.020 . 2 . . . . 128 LEU HD1 . 19080 2 702 . 1 1 129 129 LEU HD21 H 1 0.750 0.020 . 2 . . . . 128 LEU HD2 . 19080 2 703 . 1 1 129 129 LEU HD22 H 1 0.750 0.020 . 2 . . . . 128 LEU HD2 . 19080 2 704 . 1 1 129 129 LEU HD23 H 1 0.750 0.020 . 2 . . . . 128 LEU HD2 . 19080 2 705 . 1 1 129 129 LEU C C 13 175.038 0.400 . 1 . . . . 128 LEU C . 19080 2 706 . 1 1 129 129 LEU CA C 13 52.895 0.400 . 1 . . . . 128 LEU CA . 19080 2 707 . 1 1 129 129 LEU CB C 13 45.960 0.400 . 1 . . . . 128 LEU CB . 19080 2 708 . 1 1 129 129 LEU N N 15 120.687 0.400 . 1 . . . . 128 LEU N . 19080 2 709 . 1 1 130 130 ASP H H 1 8.365 0.020 . 1 . . . . 129 ASP H . 19080 2 710 . 1 1 130 130 ASP HB2 H 1 2.486 0.020 . 2 . . . . 129 ASP HB2 . 19080 2 711 . 1 1 130 130 ASP HB3 H 1 2.486 0.020 . 2 . . . . 129 ASP HB3 . 19080 2 712 . 1 1 130 130 ASP C C 13 173.850 0.400 . 1 . . . . 129 ASP C . 19080 2 713 . 1 1 130 130 ASP CA C 13 52.944 0.400 . 1 . . . . 129 ASP CA . 19080 2 714 . 1 1 130 130 ASP CB C 13 41.532 0.400 . 1 . . . . 129 ASP CB . 19080 2 715 . 1 1 130 130 ASP N N 15 123.485 0.400 . 1 . . . . 129 ASP N . 19080 2 716 . 1 1 131 131 PHE H H 1 7.594 0.020 . 1 . . . . 130 PHE H . 19080 2 717 . 1 1 131 131 PHE HA H 1 4.737 0.020 . 1 . . . . 130 PHE HA . 19080 2 718 . 1 1 131 131 PHE HD1 H 1 6.732 0.020 . 1 . . . . 130 PHE HD1 . 19080 2 719 . 1 1 131 131 PHE HD2 H 1 6.732 0.020 . 1 . . . . 130 PHE HD2 . 19080 2 720 . 1 1 131 131 PHE HE1 H 1 7.006 0.020 . 1 . . . . 130 PHE HE1 . 19080 2 721 . 1 1 131 131 PHE HE2 H 1 7.006 0.020 . 1 . . . . 130 PHE HE2 . 19080 2 722 . 1 1 131 131 PHE C C 13 175.181 0.400 . 1 . . . . 130 PHE C . 19080 2 723 . 1 1 131 131 PHE CA C 13 55.462 0.400 . 1 . . . . 130 PHE CA . 19080 2 724 . 1 1 131 131 PHE CB C 13 41.815 0.400 . 1 . . . . 130 PHE CB . 19080 2 725 . 1 1 131 131 PHE N N 15 120.166 0.400 . 1 . . . . 130 PHE N . 19080 2 726 . 1 1 132 132 SER H H 1 9.348 0.020 . 1 . . . . 131 SER H . 19080 2 727 . 1 1 132 132 SER HA H 1 4.837 0.020 . 1 . . . . 131 SER HA . 19080 2 728 . 1 1 132 132 SER HB2 H 1 3.932 0.020 . 2 . . . . 131 SER HB2 . 19080 2 729 . 1 1 132 132 SER HB3 H 1 3.932 0.020 . 2 . . . . 131 SER HB3 . 19080 2 730 . 1 1 132 132 SER CA C 13 57.499 0.400 . 1 . . . . 131 SER CA . 19080 2 731 . 1 1 132 132 SER CB C 13 62.526 0.400 . 1 . . . . 131 SER CB . 19080 2 732 . 1 1 132 132 SER N N 15 116.856 0.400 . 1 . . . . 131 SER N . 19080 2 733 . 1 1 133 133 PRO C C 13 177.052 0.400 . 1 . . . . 132 PRO C . 19080 2 734 . 1 1 134 134 GLY H H 1 8.376 0.020 . 1 . . . . 133 GLY H . 19080 2 735 . 1 1 134 134 GLY HA2 H 1 3.627 0.020 . 2 . . . . 133 GLY HA2 . 19080 2 736 . 1 1 134 134 GLY HA3 H 1 3.363 0.020 . 2 . . . . 133 GLY HA3 . 19080 2 737 . 1 1 134 134 GLY C C 13 173.483 0.400 . 1 . . . . 133 GLY C . 19080 2 738 . 1 1 134 134 GLY CA C 13 45.415 0.400 . 1 . . . . 133 GLY CA . 19080 2 739 . 1 1 134 134 GLY N N 15 109.387 0.400 . 1 . . . . 133 GLY N . 19080 2 740 . 1 1 135 135 THR H H 1 7.416 0.020 . 1 . . . . 134 THR H . 19080 2 741 . 1 1 135 135 THR HA H 1 4.741 0.020 . 1 . . . . 134 THR HA . 19080 2 742 . 1 1 135 135 THR CA C 13 60.481 0.400 . 1 . . . . 134 THR CA . 19080 2 743 . 1 1 135 135 THR CB C 13 71.176 0.400 . 1 . . . . 134 THR CB . 19080 2 744 . 1 1 135 135 THR N N 15 116.800 0.400 . 1 . . . . 134 THR N . 19080 2 745 . 1 1 137 137 GLY C C 13 173.299 0.400 . 1 . . . . 136 GLY C . 19080 2 746 . 1 1 137 137 GLY CA C 13 44.754 0.400 . 1 . . . . 136 GLY CA . 19080 2 747 . 1 1 138 138 SER H H 1 7.492 0.020 . 1 . . . . 137 SER H . 19080 2 748 . 1 1 138 138 SER CB C 13 64.210 0.400 . 1 . . . . 137 SER CB . 19080 2 749 . 1 1 138 138 SER N N 15 113.844 0.400 . 1 . . . . 137 SER N . 19080 2 750 . 1 1 139 139 PRO C C 13 173.219 0.400 . 1 . . . . 138 PRO C . 19080 2 751 . 1 1 139 139 PRO CA C 13 62.467 0.400 . 1 . . . . 138 PRO CA . 19080 2 752 . 1 1 139 139 PRO CB C 13 31.817 0.400 . 1 . . . . 138 PRO CB . 19080 2 753 . 1 1 140 140 ILE H H 1 8.350 0.020 . 1 . . . . 139 ILE H . 19080 2 754 . 1 1 140 140 ILE C C 13 175.596 0.400 . 1 . . . . 139 ILE C . 19080 2 755 . 1 1 140 140 ILE CA C 13 60.041 0.400 . 1 . . . . 139 ILE CA . 19080 2 756 . 1 1 140 140 ILE CB C 13 38.177 0.400 . 1 . . . . 139 ILE CB . 19080 2 757 . 1 1 140 140 ILE N N 15 119.473 0.400 . 1 . . . . 139 ILE N . 19080 2 758 . 1 1 141 141 ILE H H 1 9.795 0.020 . 1 . . . . 140 ILE H . 19080 2 759 . 1 1 141 141 ILE HA H 1 4.974 0.020 . 1 . . . . 140 ILE HA . 19080 2 760 . 1 1 141 141 ILE HD11 H 1 0.938 0.020 . 1 . . . . 140 ILE HD1 . 19080 2 761 . 1 1 141 141 ILE HD12 H 1 0.938 0.020 . 1 . . . . 140 ILE HD1 . 19080 2 762 . 1 1 141 141 ILE HD13 H 1 0.938 0.020 . 1 . . . . 140 ILE HD1 . 19080 2 763 . 1 1 141 141 ILE C C 13 175.346 0.400 . 1 . . . . 140 ILE C . 19080 2 764 . 1 1 141 141 ILE CA C 13 59.695 0.400 . 1 . . . . 140 ILE CA . 19080 2 765 . 1 1 141 141 ILE CB C 13 41.537 0.400 . 1 . . . . 140 ILE CB . 19080 2 766 . 1 1 141 141 ILE N N 15 126.227 0.400 . 1 . . . . 140 ILE N . 19080 2 767 . 1 1 142 142 ASP H H 1 8.860 0.020 . 1 . . . . 141 ASP H . 19080 2 768 . 1 1 142 142 ASP HA H 1 5.232 0.020 . 1 . . . . 141 ASP HA . 19080 2 769 . 1 1 142 142 ASP C C 13 178.111 0.400 . 1 . . . . 141 ASP C . 19080 2 770 . 1 1 142 142 ASP CA C 13 51.781 0.400 . 1 . . . . 141 ASP CA . 19080 2 771 . 1 1 142 142 ASP CB C 13 41.991 0.400 . 1 . . . . 141 ASP CB . 19080 2 772 . 1 1 142 142 ASP N N 15 122.590 0.400 . 1 . . . . 141 ASP N . 19080 2 773 . 1 1 143 143 LYS H H 1 8.017 0.020 . 1 . . . . 142 LYS H . 19080 2 774 . 1 1 143 143 LYS C C 13 178.120 0.400 . 1 . . . . 142 LYS C . 19080 2 775 . 1 1 143 143 LYS CA C 13 57.540 0.400 . 1 . . . . 142 LYS CA . 19080 2 776 . 1 1 143 143 LYS CB C 13 30.710 0.400 . 1 . . . . 142 LYS CB . 19080 2 777 . 1 1 143 143 LYS N N 15 115.534 0.400 . 1 . . . . 142 LYS N . 19080 2 778 . 1 1 144 144 LYS H H 1 7.796 0.020 . 1 . . . . 143 LYS H . 19080 2 779 . 1 1 144 144 LYS HA H 1 4.173 0.020 . 1 . . . . 143 LYS HA . 19080 2 780 . 1 1 144 144 LYS C C 13 176.948 0.400 . 1 . . . . 143 LYS C . 19080 2 781 . 1 1 144 144 LYS CA C 13 54.913 0.400 . 1 . . . . 143 LYS CA . 19080 2 782 . 1 1 144 144 LYS CB C 13 30.767 0.400 . 1 . . . . 143 LYS CB . 19080 2 783 . 1 1 144 144 LYS N N 15 118.272 0.400 . 1 . . . . 143 LYS N . 19080 2 784 . 1 1 145 145 GLY H H 1 8.791 0.020 . 1 . . . . 144 GLY H . 19080 2 785 . 1 1 145 145 GLY HA2 H 1 4.218 0.020 . 2 . . . . 144 GLY HA2 . 19080 2 786 . 1 1 145 145 GLY HA3 H 1 4.218 0.020 . 2 . . . . 144 GLY HA3 . 19080 2 787 . 1 1 145 145 GLY C C 13 173.661 0.400 . 1 . . . . 144 GLY C . 19080 2 788 . 1 1 145 145 GLY CA C 13 45.074 0.400 . 1 . . . . 144 GLY CA . 19080 2 789 . 1 1 145 145 GLY N N 15 109.684 0.400 . 1 . . . . 144 GLY N . 19080 2 790 . 1 1 146 146 LYS H H 1 8.510 0.020 . 1 . . . . 145 LYS H . 19080 2 791 . 1 1 146 146 LYS C C 13 175.649 0.400 . 1 . . . . 145 LYS C . 19080 2 792 . 1 1 146 146 LYS CA C 13 54.141 0.400 . 1 . . . . 145 LYS CA . 19080 2 793 . 1 1 146 146 LYS CB C 13 31.482 0.400 . 1 . . . . 145 LYS CB . 19080 2 794 . 1 1 146 146 LYS N N 15 120.189 0.400 . 1 . . . . 145 LYS N . 19080 2 795 . 1 1 147 147 VAL H H 1 8.725 0.020 . 1 . . . . 146 VAL H . 19080 2 796 . 1 1 147 147 VAL HA H 1 4.353 0.020 . 1 . . . . 146 VAL HA . 19080 2 797 . 1 1 147 147 VAL HG21 H 1 0.920 0.020 . 2 . . . . 146 VAL HG2 . 19080 2 798 . 1 1 147 147 VAL HG22 H 1 0.920 0.020 . 2 . . . . 146 VAL HG2 . 19080 2 799 . 1 1 147 147 VAL HG23 H 1 0.920 0.020 . 2 . . . . 146 VAL HG2 . 19080 2 800 . 1 1 147 147 VAL C C 13 176.564 0.400 . 1 . . . . 146 VAL C . 19080 2 801 . 1 1 147 147 VAL CA C 13 62.149 0.400 . 1 . . . . 146 VAL CA . 19080 2 802 . 1 1 147 147 VAL CB C 13 29.716 0.400 . 1 . . . . 146 VAL CB . 19080 2 803 . 1 1 147 147 VAL N N 15 121.207 0.400 . 1 . . . . 146 VAL N . 19080 2 804 . 1 1 148 148 VAL H H 1 8.938 0.020 . 1 . . . . 147 VAL H . 19080 2 805 . 1 1 148 148 VAL HA H 1 4.403 0.020 . 1 . . . . 147 VAL HA . 19080 2 806 . 1 1 148 148 VAL HG11 H 1 1.022 0.020 . 2 . . . . 147 VAL HG1 . 19080 2 807 . 1 1 148 148 VAL HG12 H 1 1.022 0.020 . 2 . . . . 147 VAL HG1 . 19080 2 808 . 1 1 148 148 VAL HG13 H 1 1.022 0.020 . 2 . . . . 147 VAL HG1 . 19080 2 809 . 1 1 148 148 VAL HG21 H 1 0.698 0.020 . 2 . . . . 147 VAL HG2 . 19080 2 810 . 1 1 148 148 VAL HG22 H 1 0.698 0.020 . 2 . . . . 147 VAL HG2 . 19080 2 811 . 1 1 148 148 VAL HG23 H 1 0.698 0.020 . 2 . . . . 147 VAL HG2 . 19080 2 812 . 1 1 148 148 VAL C C 13 174.275 0.400 . 1 . . . . 147 VAL C . 19080 2 813 . 1 1 148 148 VAL CA C 13 59.892 0.400 . 1 . . . . 147 VAL CA . 19080 2 814 . 1 1 148 148 VAL CB C 13 29.987 0.400 . 1 . . . . 147 VAL CB . 19080 2 815 . 1 1 148 148 VAL N N 15 120.362 0.400 . 1 . . . . 147 VAL N . 19080 2 816 . 1 1 149 149 GLY H H 1 7.535 0.020 . 1 . . . . 148 GLY H . 19080 2 817 . 1 1 149 149 GLY HA2 H 1 4.135 0.020 . 2 . . . . 148 GLY HA2 . 19080 2 818 . 1 1 149 149 GLY HA3 H 1 3.989 0.020 . 2 . . . . 148 GLY HA3 . 19080 2 819 . 1 1 149 149 GLY C C 13 169.753 0.400 . 1 . . . . 148 GLY C . 19080 2 820 . 1 1 149 149 GLY CA C 13 44.490 0.400 . 1 . . . . 148 GLY CA . 19080 2 821 . 1 1 149 149 GLY N N 15 104.658 0.400 . 1 . . . . 148 GLY N . 19080 2 822 . 1 1 150 150 LEU H H 1 9.261 0.020 . 1 . . . . 149 LEU H . 19080 2 823 . 1 1 150 150 LEU HA H 1 4.032 0.020 . 1 . . . . 149 LEU HA . 19080 2 824 . 1 1 150 150 LEU CA C 13 52.776 0.400 . 1 . . . . 149 LEU CA . 19080 2 825 . 1 1 150 150 LEU CB C 13 43.419 0.400 . 1 . . . . 149 LEU CB . 19080 2 826 . 1 1 150 150 LEU N N 15 116.761 0.400 . 1 . . . . 149 LEU N . 19080 2 827 . 1 1 153 153 ASN HB2 H 1 2.604 0.020 . 2 . . . . 152 ASN HB2 . 19080 2 828 . 1 1 153 153 ASN HB3 H 1 2.604 0.020 . 2 . . . . 152 ASN HB3 . 19080 2 829 . 1 1 153 153 ASN HD21 H 1 7.715 0.020 . 2 . . . . 152 ASN HD21 . 19080 2 830 . 1 1 153 153 ASN HD22 H 1 7.036 0.020 . 2 . . . . 152 ASN HD22 . 19080 2 831 . 1 1 153 153 ASN C C 13 174.524 0.400 . 1 . . . . 152 ASN C . 19080 2 832 . 1 1 153 153 ASN CA C 13 54.002 0.400 . 1 . . . . 152 ASN CA . 19080 2 833 . 1 1 153 153 ASN CB C 13 40.529 0.400 . 1 . . . . 152 ASN CB . 19080 2 834 . 1 1 153 153 ASN ND2 N 15 113.246 0.400 . 1 . . . . 152 ASN ND2 . 19080 2 835 . 1 1 154 154 GLY H H 1 8.367 0.020 . 1 . . . . 153 GLY H . 19080 2 836 . 1 1 154 154 GLY HA2 H 1 4.185 0.020 . 2 . . . . 153 GLY HA2 . 19080 2 837 . 1 1 154 154 GLY HA3 H 1 3.927 0.020 . 2 . . . . 153 GLY HA3 . 19080 2 838 . 1 1 154 154 GLY C C 13 174.609 0.400 . 1 . . . . 153 GLY C . 19080 2 839 . 1 1 154 154 GLY CA C 13 44.803 0.400 . 1 . . . . 153 GLY CA . 19080 2 840 . 1 1 154 154 GLY N N 15 109.652 0.400 . 1 . . . . 153 GLY N . 19080 2 841 . 1 1 155 155 VAL H H 1 8.361 0.020 . 1 . . . . 154 VAL H . 19080 2 842 . 1 1 155 155 VAL N N 15 115.515 0.400 . 1 . . . . 154 VAL N . 19080 2 843 . 1 1 156 156 VAL C C 13 177.173 0.400 . 1 . . . . 155 VAL C . 19080 2 844 . 1 1 156 156 VAL CA C 13 60.457 0.400 . 1 . . . . 155 VAL CA . 19080 2 845 . 1 1 156 156 VAL CB C 13 31.645 0.400 . 1 . . . . 155 VAL CB . 19080 2 846 . 1 1 157 157 THR H H 1 8.791 0.020 . 1 . . . . 156 THR H . 19080 2 847 . 1 1 157 157 THR HA H 1 4.837 0.020 . 1 . . . . 156 THR HA . 19080 2 848 . 1 1 157 157 THR CA C 13 60.640 0.400 . 1 . . . . 156 THR CA . 19080 2 849 . 1 1 157 157 THR CB C 13 70.327 0.400 . 1 . . . . 156 THR CB . 19080 2 850 . 1 1 157 157 THR N N 15 117.086 0.400 . 1 . . . . 156 THR N . 19080 2 851 . 1 1 158 158 ARG C C 13 176.413 0.400 . 1 . . . . 157 ARG C . 19080 2 852 . 1 1 158 158 ARG CA C 13 55.784 0.400 . 1 . . . . 157 ARG CA . 19080 2 853 . 1 1 159 159 SER H H 1 8.479 0.020 . 1 . . . . 158 SER H . 19080 2 854 . 1 1 159 159 SER HA H 1 4.294 0.020 . 1 . . . . 158 SER HA . 19080 2 855 . 1 1 159 159 SER C C 13 174.848 0.400 . 1 . . . . 158 SER C . 19080 2 856 . 1 1 159 159 SER CA C 13 57.984 0.400 . 1 . . . . 158 SER CA . 19080 2 857 . 1 1 159 159 SER CB C 13 63.464 0.400 . 1 . . . . 158 SER CB . 19080 2 858 . 1 1 159 159 SER N N 15 118.011 0.400 . 1 . . . . 158 SER N . 19080 2 859 . 1 1 160 160 GLY H H 1 8.119 0.020 . 1 . . . . 159 GLY H . 19080 2 860 . 1 1 160 160 GLY HA2 H 1 3.462 0.020 . 2 . . . . 159 GLY HA2 . 19080 2 861 . 1 1 160 160 GLY HA3 H 1 3.462 0.020 . 2 . . . . 159 GLY HA3 . 19080 2 862 . 1 1 160 160 GLY C C 13 173.496 0.400 . 1 . . . . 159 GLY C . 19080 2 863 . 1 1 160 160 GLY CA C 13 44.430 0.400 . 1 . . . . 159 GLY CA . 19080 2 864 . 1 1 160 160 GLY N N 15 110.810 0.400 . 1 . . . . 159 GLY N . 19080 2 865 . 1 1 161 161 ALA H H 1 7.230 0.020 . 1 . . . . 160 ALA H . 19080 2 866 . 1 1 161 161 ALA HA H 1 4.322 0.020 . 1 . . . . 160 ALA HA . 19080 2 867 . 1 1 161 161 ALA HB1 H 1 1.184 0.020 . 1 . . . . 160 ALA HB . 19080 2 868 . 1 1 161 161 ALA HB2 H 1 1.184 0.020 . 1 . . . . 160 ALA HB . 19080 2 869 . 1 1 161 161 ALA HB3 H 1 1.184 0.020 . 1 . . . . 160 ALA HB . 19080 2 870 . 1 1 161 161 ALA C C 13 175.723 0.400 . 1 . . . . 160 ALA C . 19080 2 871 . 1 1 161 161 ALA CA C 13 51.350 0.400 . 1 . . . . 160 ALA CA . 19080 2 872 . 1 1 161 161 ALA CB C 13 18.015 0.400 . 1 . . . . 160 ALA CB . 19080 2 873 . 1 1 161 161 ALA N N 15 123.787 0.400 . 1 . . . . 160 ALA N . 19080 2 874 . 1 1 162 162 TYR H H 1 8.506 0.020 . 1 . . . . 161 TYR H . 19080 2 875 . 1 1 162 162 TYR HA H 1 4.733 0.020 . 1 . . . . 161 TYR HA . 19080 2 876 . 1 1 162 162 TYR HB2 H 1 2.929 0.020 . 2 . . . . 161 TYR HB2 . 19080 2 877 . 1 1 162 162 TYR HB3 H 1 2.779 0.020 . 2 . . . . 161 TYR HB3 . 19080 2 878 . 1 1 162 162 TYR HE1 H 1 7.040 0.020 . 1 . . . . 161 TYR HE1 . 19080 2 879 . 1 1 162 162 TYR HE2 H 1 7.040 0.020 . 1 . . . . 161 TYR HE2 . 19080 2 880 . 1 1 162 162 TYR C C 13 175.605 0.400 . 1 . . . . 161 TYR C . 19080 2 881 . 1 1 162 162 TYR CA C 13 57.350 0.400 . 1 . . . . 161 TYR CA . 19080 2 882 . 1 1 162 162 TYR CB C 13 39.195 0.400 . 1 . . . . 161 TYR CB . 19080 2 883 . 1 1 162 162 TYR N N 15 124.071 0.400 . 1 . . . . 161 TYR N . 19080 2 884 . 1 1 163 163 VAL H H 1 7.963 0.020 . 1 . . . . 162 VAL H . 19080 2 885 . 1 1 163 163 VAL HA H 1 4.159 0.020 . 1 . . . . 162 VAL HA . 19080 2 886 . 1 1 163 163 VAL C C 13 175.446 0.400 . 1 . . . . 162 VAL C . 19080 2 887 . 1 1 163 163 VAL CA C 13 61.403 0.400 . 1 . . . . 162 VAL CA . 19080 2 888 . 1 1 163 163 VAL CB C 13 32.046 0.400 . 1 . . . . 162 VAL CB . 19080 2 889 . 1 1 163 163 VAL N N 15 123.609 0.400 . 1 . . . . 162 VAL N . 19080 2 890 . 1 1 165 165 ALA C C 13 179.186 0.400 . 1 . . . . 164 ALA C . 19080 2 891 . 1 1 166 166 ILE H H 1 7.784 0.020 . 1 . . . . 165 ILE H . 19080 2 892 . 1 1 166 166 ILE HA H 1 4.548 0.020 . 1 . . . . 165 ILE HA . 19080 2 893 . 1 1 166 166 ILE HB H 1 1.693 0.020 . 1 . . . . 165 ILE HB . 19080 2 894 . 1 1 166 166 ILE CA C 13 61.674 0.400 . 1 . . . . 165 ILE CA . 19080 2 895 . 1 1 166 166 ILE N N 15 122.028 0.400 . 1 . . . . 165 ILE N . 19080 2 896 . 1 1 167 167 ALA C C 13 174.769 0.400 . 1 . . . . 166 ALA C . 19080 2 897 . 1 1 167 167 ALA CA C 13 52.892 0.400 . 1 . . . . 166 ALA CA . 19080 2 898 . 1 1 167 167 ALA CB C 13 18.512 0.400 . 1 . . . . 166 ALA CB . 19080 2 899 . 1 1 168 168 GLN H H 1 8.187 0.020 . 1 . . . . 167 GLN H . 19080 2 900 . 1 1 168 168 GLN C C 13 173.858 0.400 . 1 . . . . 167 GLN C . 19080 2 901 . 1 1 168 168 GLN CA C 13 52.966 0.400 . 1 . . . . 167 GLN CA . 19080 2 902 . 1 1 168 168 GLN CB C 13 32.504 0.400 . 1 . . . . 167 GLN CB . 19080 2 903 . 1 1 168 168 GLN N N 15 124.088 0.400 . 1 . . . . 167 GLN N . 19080 2 904 . 1 1 169 169 THR H H 1 8.085 0.020 . 1 . . . . 168 THR H . 19080 2 905 . 1 1 169 169 THR C C 13 172.098 0.400 . 1 . . . . 168 THR C . 19080 2 906 . 1 1 169 169 THR CA C 13 59.228 0.400 . 1 . . . . 168 THR CA . 19080 2 907 . 1 1 169 169 THR CB C 13 69.517 0.400 . 1 . . . . 168 THR CB . 19080 2 908 . 1 1 169 169 THR N N 15 118.295 0.400 . 1 . . . . 168 THR N . 19080 2 909 . 1 1 170 170 GLU H H 1 7.795 0.020 . 1 . . . . 169 GLU H . 19080 2 910 . 1 1 170 170 GLU HA H 1 4.110 0.020 . 1 . . . . 169 GLU HA . 19080 2 911 . 1 1 170 170 GLU HB2 H 1 1.931 0.020 . 2 . . . . 169 GLU HB2 . 19080 2 912 . 1 1 170 170 GLU HB3 H 1 1.931 0.020 . 2 . . . . 169 GLU HB3 . 19080 2 913 . 1 1 170 170 GLU HG2 H 1 2.259 0.020 . 2 . . . . 169 GLU HG2 . 19080 2 914 . 1 1 170 170 GLU HG3 H 1 2.259 0.020 . 2 . . . . 169 GLU HG3 . 19080 2 915 . 1 1 170 170 GLU C C 13 176.038 0.400 . 1 . . . . 169 GLU C . 19080 2 916 . 1 1 170 170 GLU CA C 13 56.233 0.400 . 1 . . . . 169 GLU CA . 19080 2 917 . 1 1 170 170 GLU CB C 13 29.390 0.400 . 1 . . . . 169 GLU CB . 19080 2 918 . 1 1 170 170 GLU N N 15 121.069 0.400 . 1 . . . . 169 GLU N . 19080 2 919 . 1 1 171 171 LYS H H 1 8.372 0.020 . 1 . . . . 170 LYS H . 19080 2 920 . 1 1 171 171 LYS HB2 H 1 1.679 0.020 . 2 . . . . 170 LYS HB2 . 19080 2 921 . 1 1 171 171 LYS HB3 H 1 1.679 0.020 . 2 . . . . 170 LYS HB3 . 19080 2 922 . 1 1 171 171 LYS C C 13 176.555 0.400 . 1 . . . . 170 LYS C . 19080 2 923 . 1 1 171 171 LYS CA C 13 56.241 0.400 . 1 . . . . 170 LYS CA . 19080 2 924 . 1 1 171 171 LYS CB C 13 31.871 0.400 . 1 . . . . 170 LYS CB . 19080 2 925 . 1 1 171 171 LYS N N 15 122.593 0.400 . 1 . . . . 170 LYS N . 19080 2 926 . 1 1 172 172 SER H H 1 8.736 0.020 . 1 . . . . 171 SER H . 19080 2 927 . 1 1 172 172 SER HA H 1 4.034 0.020 . 1 . . . . 171 SER HA . 19080 2 928 . 1 1 172 172 SER HB2 H 1 3.750 0.020 . 2 . . . . 171 SER HB2 . 19080 2 929 . 1 1 172 172 SER HB3 H 1 3.750 0.020 . 2 . . . . 171 SER HB3 . 19080 2 930 . 1 1 172 172 SER C C 13 174.545 0.400 . 1 . . . . 171 SER C . 19080 2 931 . 1 1 172 172 SER CA C 13 57.601 0.400 . 1 . . . . 171 SER CA . 19080 2 932 . 1 1 172 172 SER CB C 13 63.581 0.400 . 1 . . . . 171 SER CB . 19080 2 933 . 1 1 172 172 SER N N 15 119.748 0.400 . 1 . . . . 171 SER N . 19080 2 934 . 1 1 173 173 ILE H H 1 8.337 0.020 . 1 . . . . 172 ILE H . 19080 2 935 . 1 1 173 173 ILE HA H 1 4.200 0.020 . 1 . . . . 172 ILE HA . 19080 2 936 . 1 1 173 173 ILE HB H 1 1.887 0.020 . 1 . . . . 172 ILE HB . 19080 2 937 . 1 1 173 173 ILE HG12 H 1 1.134 0.020 . 2 . . . . 172 ILE HG12 . 19080 2 938 . 1 1 173 173 ILE HG13 H 1 1.134 0.020 . 2 . . . . 172 ILE HG13 . 19080 2 939 . 1 1 173 173 ILE HG21 H 1 1.392 0.020 . 1 . . . . 172 ILE HG2 . 19080 2 940 . 1 1 173 173 ILE HG22 H 1 1.392 0.020 . 1 . . . . 172 ILE HG2 . 19080 2 941 . 1 1 173 173 ILE HG23 H 1 1.392 0.020 . 1 . . . . 172 ILE HG2 . 19080 2 942 . 1 1 173 173 ILE HD11 H 1 0.869 0.020 . 1 . . . . 172 ILE HD1 . 19080 2 943 . 1 1 173 173 ILE HD12 H 1 0.869 0.020 . 1 . . . . 172 ILE HD1 . 19080 2 944 . 1 1 173 173 ILE HD13 H 1 0.869 0.020 . 1 . . . . 172 ILE HD1 . 19080 2 945 . 1 1 173 173 ILE C C 13 176.195 0.400 . 1 . . . . 172 ILE C . 19080 2 946 . 1 1 173 173 ILE CA C 13 60.633 0.400 . 1 . . . . 172 ILE CA . 19080 2 947 . 1 1 173 173 ILE CB C 13 37.772 0.400 . 1 . . . . 172 ILE CB . 19080 2 948 . 1 1 173 173 ILE N N 15 123.086 0.400 . 1 . . . . 172 ILE N . 19080 2 949 . 1 1 174 174 GLU H H 1 8.350 0.020 . 1 . . . . 173 GLU H . 19080 2 950 . 1 1 174 174 GLU HA H 1 4.289 0.020 . 1 . . . . 173 GLU HA . 19080 2 951 . 1 1 174 174 GLU C C 13 175.764 0.400 . 1 . . . . 173 GLU C . 19080 2 952 . 1 1 174 174 GLU CA C 13 55.856 0.400 . 1 . . . . 173 GLU CA . 19080 2 953 . 1 1 174 174 GLU CB C 13 29.584 0.400 . 1 . . . . 173 GLU CB . 19080 2 954 . 1 1 174 174 GLU N N 15 124.235 0.400 . 1 . . . . 173 GLU N . 19080 2 955 . 1 1 175 175 ASP H H 1 8.355 0.020 . 1 . . . . 174 ASP H . 19080 2 956 . 1 1 175 175 ASP HA H 1 4.555 0.020 . 1 . . . . 174 ASP HA . 19080 2 957 . 1 1 175 175 ASP HB2 H 1 2.625 0.020 . 2 . . . . 174 ASP HB2 . 19080 2 958 . 1 1 175 175 ASP C C 13 175.422 0.400 . 1 . . . . 174 ASP C . 19080 2 959 . 1 1 175 175 ASP CA C 13 53.962 0.400 . 1 . . . . 174 ASP CA . 19080 2 960 . 1 1 175 175 ASP CB C 13 40.661 0.400 . 1 . . . . 174 ASP CB . 19080 2 961 . 1 1 175 175 ASP N N 15 121.767 0.400 . 1 . . . . 174 ASP N . 19080 2 962 . 1 1 176 176 ASN H H 1 8.428 0.020 . 1 . . . . 175 ASN H . 19080 2 963 . 1 1 176 176 ASN HA H 1 4.979 0.020 . 1 . . . . 175 ASN HA . 19080 2 964 . 1 1 176 176 ASN HD21 H 1 7.629 0.020 . 2 . . . . 175 ASN HD21 . 19080 2 965 . 1 1 176 176 ASN HD22 H 1 6.948 0.020 . 2 . . . . 175 ASN HD22 . 19080 2 966 . 1 1 176 176 ASN C C 13 173.029 0.400 . 1 . . . . 175 ASN C . 19080 2 967 . 1 1 176 176 ASN CA C 13 50.859 0.400 . 1 . . . . 175 ASN CA . 19080 2 968 . 1 1 176 176 ASN CB C 13 38.562 0.400 . 1 . . . . 175 ASN CB . 19080 2 969 . 1 1 176 176 ASN N N 15 119.524 0.400 . 1 . . . . 175 ASN N . 19080 2 970 . 1 1 176 176 ASN ND2 N 15 113.266 0.400 . 1 . . . . 175 ASN ND2 . 19080 2 971 . 1 1 177 177 PRO HB2 H 1 2.221 0.020 . 2 . . . . 176 PRO HB2 . 19080 2 972 . 1 1 177 177 PRO HB3 H 1 1.936 0.020 . 2 . . . . 176 PRO HB3 . 19080 2 973 . 1 1 177 177 PRO HD2 H 1 3.707 0.020 . 2 . . . . 176 PRO HD2 . 19080 2 974 . 1 1 177 177 PRO HD3 H 1 3.707 0.020 . 2 . . . . 176 PRO HD3 . 19080 2 975 . 1 1 177 177 PRO C C 13 176.780 0.400 . 1 . . . . 176 PRO C . 19080 2 976 . 1 1 177 177 PRO CA C 13 62.846 0.400 . 1 . . . . 176 PRO CA . 19080 2 977 . 1 1 177 177 PRO CB C 13 31.178 0.400 . 1 . . . . 176 PRO CB . 19080 2 978 . 1 1 178 178 GLU H H 1 8.387 0.020 . 1 . . . . 177 GLU H . 19080 2 979 . 1 1 178 178 GLU HA H 1 4.297 0.020 . 1 . . . . 177 GLU HA . 19080 2 980 . 1 1 178 178 GLU HB2 H 1 1.851 0.020 . 2 . . . . 177 GLU HB2 . 19080 2 981 . 1 1 178 178 GLU HB3 H 1 1.851 0.020 . 2 . . . . 177 GLU HB3 . 19080 2 982 . 1 1 178 178 GLU HG2 H 1 2.228 0.020 . 2 . . . . 177 GLU HG2 . 19080 2 983 . 1 1 178 178 GLU HG3 H 1 2.228 0.020 . 2 . . . . 177 GLU HG3 . 19080 2 984 . 1 1 178 178 GLU C C 13 176.459 0.400 . 1 . . . . 177 GLU C . 19080 2 985 . 1 1 178 178 GLU CA C 13 56.023 0.400 . 1 . . . . 177 GLU CA . 19080 2 986 . 1 1 178 178 GLU CB C 13 29.107 0.400 . 1 . . . . 177 GLU CB . 19080 2 987 . 1 1 178 178 GLU N N 15 120.347 0.400 . 1 . . . . 177 GLU N . 19080 2 988 . 1 1 179 179 ILE H H 1 8.067 0.020 . 1 . . . . 178 ILE H . 19080 2 989 . 1 1 179 179 ILE HA H 1 4.169 0.020 . 1 . . . . 178 ILE HA . 19080 2 990 . 1 1 179 179 ILE HD11 H 1 0.882 0.020 . 1 . . . . 178 ILE HD1 . 19080 2 991 . 1 1 179 179 ILE HD12 H 1 0.882 0.020 . 1 . . . . 178 ILE HD1 . 19080 2 992 . 1 1 179 179 ILE HD13 H 1 0.882 0.020 . 1 . . . . 178 ILE HD1 . 19080 2 993 . 1 1 179 179 ILE C C 13 176.121 0.400 . 1 . . . . 178 ILE C . 19080 2 994 . 1 1 179 179 ILE CA C 13 60.466 0.400 . 1 . . . . 178 ILE CA . 19080 2 995 . 1 1 179 179 ILE CB C 13 37.945 0.400 . 1 . . . . 178 ILE CB . 19080 2 996 . 1 1 179 179 ILE N N 15 121.514 0.400 . 1 . . . . 178 ILE N . 19080 2 997 . 1 1 180 180 GLU H H 1 8.445 0.020 . 1 . . . . 179 GLU H . 19080 2 998 . 1 1 180 180 GLU HA H 1 4.282 0.020 . 1 . . . . 179 GLU HA . 19080 2 999 . 1 1 180 180 GLU HB2 H 1 1.956 0.020 . 2 . . . . 179 GLU HB2 . 19080 2 1000 . 1 1 180 180 GLU HB3 H 1 1.956 0.020 . 2 . . . . 179 GLU HB3 . 19080 2 1001 . 1 1 180 180 GLU HG2 H 1 2.224 0.020 . 2 . . . . 179 GLU HG2 . 19080 2 1002 . 1 1 180 180 GLU HG3 H 1 2.224 0.020 . 2 . . . . 179 GLU HG3 . 19080 2 1003 . 1 1 180 180 GLU C C 13 176.052 0.400 . 1 . . . . 179 GLU C . 19080 2 1004 . 1 1 180 180 GLU CA C 13 56.063 0.400 . 1 . . . . 179 GLU CA . 19080 2 1005 . 1 1 180 180 GLU CB C 13 29.407 0.400 . 1 . . . . 179 GLU CB . 19080 2 1006 . 1 1 180 180 GLU N N 15 125.024 0.400 . 1 . . . . 179 GLU N . 19080 2 1007 . 1 1 181 181 ASP H H 1 8.324 0.020 . 1 . . . . 180 ASP H . 19080 2 1008 . 1 1 181 181 ASP HA H 1 4.561 0.020 . 1 . . . . 180 ASP HA . 19080 2 1009 . 1 1 181 181 ASP HB2 H 1 2.612 0.020 . 2 . . . . 180 ASP HB2 . 19080 2 1010 . 1 1 181 181 ASP HB3 H 1 2.612 0.020 . 2 . . . . 180 ASP HB3 . 19080 2 1011 . 1 1 181 181 ASP C C 13 175.975 0.400 . 1 . . . . 180 ASP C . 19080 2 1012 . 1 1 181 181 ASP CA C 13 54.166 0.400 . 1 . . . . 180 ASP CA . 19080 2 1013 . 1 1 181 181 ASP CB C 13 40.848 0.400 . 1 . . . . 180 ASP CB . 19080 2 1014 . 1 1 181 181 ASP N N 15 121.485 0.400 . 1 . . . . 180 ASP N . 19080 2 1015 . 1 1 182 182 ASP H H 1 8.292 0.020 . 1 . . . . 181 ASP H . 19080 2 1016 . 1 1 182 182 ASP HA H 1 4.546 0.020 . 1 . . . . 181 ASP HA . 19080 2 1017 . 1 1 182 182 ASP HB2 H 1 2.625 0.020 . 2 . . . . 181 ASP HB2 . 19080 2 1018 . 1 1 182 182 ASP HB3 H 1 2.625 0.020 . 2 . . . . 181 ASP HB3 . 19080 2 1019 . 1 1 182 182 ASP C C 13 176.803 0.400 . 1 . . . . 181 ASP C . 19080 2 1020 . 1 1 182 182 ASP CA C 13 54.146 0.400 . 1 . . . . 181 ASP CA . 19080 2 1021 . 1 1 182 182 ASP CB C 13 40.486 0.400 . 1 . . . . 181 ASP CB . 19080 2 1022 . 1 1 182 182 ASP N N 15 120.588 0.400 . 1 . . . . 181 ASP N . 19080 2 1023 . 1 1 183 183 ILE H H 1 7.912 0.020 . 1 . . . . 182 ILE H . 19080 2 1024 . 1 1 183 183 ILE HA H 1 3.996 0.020 . 1 . . . . 182 ILE HA . 19080 2 1025 . 1 1 183 183 ILE HB H 1 1.718 0.020 . 1 . . . . 182 ILE HB . 19080 2 1026 . 1 1 183 183 ILE HG21 H 1 1.116 0.020 . 1 . . . . 182 ILE HG2 . 19080 2 1027 . 1 1 183 183 ILE HG22 H 1 1.116 0.020 . 1 . . . . 182 ILE HG2 . 19080 2 1028 . 1 1 183 183 ILE HG23 H 1 1.116 0.020 . 1 . . . . 182 ILE HG2 . 19080 2 1029 . 1 1 183 183 ILE HD11 H 1 0.658 0.020 . 1 . . . . 182 ILE HD1 . 19080 2 1030 . 1 1 183 183 ILE HD12 H 1 0.658 0.020 . 1 . . . . 182 ILE HD1 . 19080 2 1031 . 1 1 183 183 ILE HD13 H 1 0.658 0.020 . 1 . . . . 182 ILE HD1 . 19080 2 1032 . 1 1 183 183 ILE C C 13 176.299 0.400 . 1 . . . . 182 ILE C . 19080 2 1033 . 1 1 183 183 ILE CA C 13 61.749 0.400 . 1 . . . . 182 ILE CA . 19080 2 1034 . 1 1 183 183 ILE CB C 13 37.758 0.400 . 1 . . . . 182 ILE CB . 19080 2 1035 . 1 1 183 183 ILE N N 15 119.427 0.400 . 1 . . . . 182 ILE N . 19080 2 1036 . 1 1 184 184 PHE H H 1 8.111 0.020 . 1 . . . . 183 PHE H . 19080 2 1037 . 1 1 184 184 PHE HA H 1 4.611 0.020 . 1 . . . . 183 PHE HA . 19080 2 1038 . 1 1 184 184 PHE HB2 H 1 3.203 0.020 . 2 . . . . 183 PHE HB2 . 19080 2 1039 . 1 1 184 184 PHE HB3 H 1 2.993 0.020 . 2 . . . . 183 PHE HB3 . 19080 2 1040 . 1 1 184 184 PHE HE1 H 1 7.251 0.020 . 1 . . . . 183 PHE HE1 . 19080 2 1041 . 1 1 184 184 PHE HE2 H 1 7.251 0.020 . 1 . . . . 183 PHE HE2 . 19080 2 1042 . 1 1 184 184 PHE C C 13 175.580 0.400 . 1 . . . . 183 PHE C . 19080 2 1043 . 1 1 184 184 PHE CA C 13 57.487 0.400 . 1 . . . . 183 PHE CA . 19080 2 1044 . 1 1 184 184 PHE CB C 13 38.297 0.400 . 1 . . . . 183 PHE CB . 19080 2 1045 . 1 1 184 184 PHE N N 15 121.329 0.400 . 1 . . . . 183 PHE N . 19080 2 1046 . 1 1 185 185 ARG H H 1 7.828 0.020 . 1 . . . . 184 ARG H . 19080 2 1047 . 1 1 185 185 ARG HA H 1 4.307 0.020 . 1 . . . . 184 ARG HA . 19080 2 1048 . 1 1 185 185 ARG HB2 H 1 1.711 0.020 . 2 . . . . 184 ARG HB2 . 19080 2 1049 . 1 1 185 185 ARG HB3 H 1 1.711 0.020 . 2 . . . . 184 ARG HB3 . 19080 2 1050 . 1 1 185 185 ARG C C 13 174.975 0.400 . 1 . . . . 184 ARG C . 19080 2 1051 . 1 1 185 185 ARG CA C 13 55.621 0.400 . 1 . . . . 184 ARG CA . 19080 2 1052 . 1 1 185 185 ARG CB C 13 29.743 0.400 . 1 . . . . 184 ARG CB . 19080 2 1053 . 1 1 185 185 ARG N N 15 122.447 0.400 . 1 . . . . 184 ARG N . 19080 2 1054 . 1 1 186 186 LYS H H 1 7.821 0.020 . 1 . . . . 185 LYS H . 19080 2 1055 . 1 1 186 186 LYS HA H 1 4.123 0.020 . 1 . . . . 185 LYS HA . 19080 2 1056 . 1 1 186 186 LYS HB2 H 1 1.689 0.020 . 2 . . . . 185 LYS HB2 . 19080 2 1057 . 1 1 186 186 LYS HB3 H 1 1.689 0.020 . 2 . . . . 185 LYS HB3 . 19080 2 1058 . 1 1 186 186 LYS HE2 H 1 3.178 0.020 . 2 . . . . 185 LYS HE2 . 19080 2 1059 . 1 1 186 186 LYS HE3 H 1 3.178 0.020 . 2 . . . . 185 LYS HE3 . 19080 2 1060 . 1 1 186 186 LYS C C 13 181.291 0.400 . 1 . . . . 185 LYS C . 19080 2 1061 . 1 1 186 186 LYS CA C 13 57.202 0.400 . 1 . . . . 185 LYS CA . 19080 2 1062 . 1 1 186 186 LYS CB C 13 32.629 0.400 . 1 . . . . 185 LYS CB . 19080 2 1063 . 1 1 186 186 LYS N N 15 127.741 0.400 . 1 . . . . 185 LYS N . 19080 2 stop_ save_