data_11053 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11053 _Entry.Title ; Chemical shifts assignment for the West Nile virus NS2B(K96A)-NS3 protease ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-07-24 _Entry.Accession_date 2008-07-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.120 _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 Hiromasa Yagi . . . 11053 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Research School of Chemistry, Australian National University' . 11053 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11053 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 543 11053 '15N chemical shifts' 197 11053 '1H chemical shifts' 1223 11053 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2009-07-20 2008-07-24 update BMRB 'complete entry citation' 11053 1 . . 2009-07-14 2008-07-24 original author 'original release' 11053 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 11053 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19583774 _Citation.Full_citation . _Citation.Title 'NMR study of complexes between low molecular mass inhibitors and the West Nile virus NS2B-NS3 protease' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS J.' _Citation.Journal_name_full . _Citation.Journal_volume 276 _Citation.Journal_issue 15 _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 4244 _Citation.Page_last 4255 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Xun-Cheng Su . . . 11053 1 2 Kiyoshi Ozawa . . . 11053 1 3 Hiromasa Yagi . . . 11053 1 4 Siew Lim . P. . 11053 1 5 Daying Wen . . . 11053 1 6 Dariusz Ekonomiuk . . . 11053 1 7 Danzhi Huang . . . 11053 1 8 Thomas Keller . H. . 11053 1 9 Sebastian Sonntag . . . 11053 1 10 Amedeo Caflisch . . . 11053 1 11 Subhash Vasudevan . G. . 11053 1 12 Gottfried Otting . . . 11053 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'drug development' 11053 1 inhibitors 11053 1 NMR 11053 1 'NS2B-NS3 protease' 11053 1 'West Nile virus' 11053 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 11053 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16532006 _Citation.Full_citation . _Citation.Title ; Structural basis for the activation of flaviviral NS3 proteases from dengue and West Nile virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Mol. Biol.' _Citation.Journal_name_full 'Nature Structural & Molecular Biology' _Citation.Journal_volume 13 _Citation.Journal_issue . _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 372 _Citation.Page_last 373 _Citation.Year 2006 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Paul Erbel . . . 11053 2 2 Nikolaus Schiering . . . 11053 2 3 Allan D'Arcy . . . 11053 2 4 Martin Renatus . . . 11053 2 5 Markus Kroemer . . . 11053 2 6 Siew Lim . P. . 11053 2 7 Zheng Yin . . . 11053 2 8 Thomas Keller . H. . 11053 2 9 Subhash Vasudevan . G. . 11053 2 10 Ulrich Hommel . . . 11053 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11053 _Assembly.ID 1 _Assembly.Name 'the West Nile virus NS2B(K96A)-NS3 protease' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands 1 _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'the West Nile virus NS2B(K96A)-NS3 protease' 1 $entity_1 A . yes native no no . . . 11053 1 2 2,5-methylenisothiourea-PXY 2 $entity_MITU-PXY B . no native no no . . . 11053 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11053 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'the West Nile virus NS2B(K96A)-NS3 protease' _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 ; TDMWIERTADITWESDAEIT GSSERVDVRLDDDGNFQLMN DPGAPWAGGGGSGGGGGGVL WDTPSPKEYKKGDTTTGVYR IMTRGLLGSYQAGAGVMVEG VFHTLWHTTKGAALMSGEGR LDPYWGSVKEDRLCYGGPWK LQHKWNGHDEVQMIVVEPGK NVKNVQTKPGVFKTPEGEIG AVTLDYPTGTSGSPIVDKNG DVIGLYGNGVIMPNGSYISA IVQGERMEEPAPAGFEPEML RKK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details ; The construction of this protein is composed of two domain (NS2B and NS3) jointed short linker. The numbering of amino acid is as follows. (550 - 605) NS2B domain and linker : The domain of the entry is a part of original NS2B (See reference_citation). TDMWIERTADITWESDAEIT GSSERVDVRLDDDGNFQLMN DPGAPWAGGGGSGGGG ( 1 - 187) NS3 domain : This numbering is based on reference_citation. GGVLWDTPSPKEYKKGDTTT GVYRIMTRGLLGSYQAGAGV MVEGVFHTLWHTTKGAALMS GEGRLDPYWGSVKEDRLCYG GPWKLQHKWNGHDEVQMIVV EPGKNVKNVQTKPGVFKTPE GEIGAVTLDYPTGTSGSPIV DKNGDVIGLYGNGVIMPNGS YISAIVQGERMEEPAPAGFE PEMLRKK ; _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 243 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 2015-11-26 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 PDB 2FP7 . "West Nile Virus Ns2b/ns3protease In Complex With Bz-nle-lys-arg-arg-h" . . . . . 70.78 172 100.00 100.00 2.15e-119 . . . . 11053 1 2 no PDB 2YOL . "West Nile Virus Ns2b-ns3 Protease In Complex With 3,4- Dichlorophenylacetyl-lys-lys-gcma" . . . . . 93.00 230 100.00 100.00 5.11e-160 . . . . 11053 1 3 no EMBL CAS03096 . "CF40GlyNS3pro protein [synthetic construct]" . . . . . 98.77 252 97.08 98.75 1.12e-166 . . . . 11053 1 4 no GB ADX89821 . "polyprotein, partial [West Nile virus]" . . . . . 76.95 1920 97.86 98.93 1.14e-117 . . . . 11053 1 5 no GB ADX89822 . "polyprotein, partial [West Nile virus]" . . . . . 76.95 1920 97.86 98.93 1.16e-117 . . . . 11053 1 6 no GB ADX89823 . "polyprotein, partial [West Nile virus]" . . . . . 76.95 1920 97.86 98.93 1.14e-117 . . . . 11053 1 7 no GB ADX89824 . "polyprotein, partial [West Nile virus]" . . . . . 76.95 1920 97.86 98.93 1.15e-117 . . . . 11053 1 8 no GB ADX89825 . "polyprotein, partial [West Nile virus]" . . . . . 76.95 1920 97.86 98.93 1.15e-117 . . . . 11053 1 9 no REF NP_776018 . "unnamed protein product [West Nile virus]" . . . . . 76.95 619 100.00 100.00 7.64e-128 . . . . 11053 1 10 no REF YP_001527884 . "unnamed protein product [West Nile virus]" . . . . . 76.95 619 97.86 98.93 6.50e-125 . . . . 11053 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 1 550 THR . 11053 1 2 551 ASP . 11053 1 3 552 MET . 11053 1 4 553 TRP . 11053 1 5 554 ILE . 11053 1 6 555 GLU . 11053 1 7 556 ARG . 11053 1 8 557 THR . 11053 1 9 558 ALA . 11053 1 10 559 ASP . 11053 1 11 560 ILE . 11053 1 12 561 THR . 11053 1 13 562 TRP . 11053 1 14 563 GLU . 11053 1 15 564 SER . 11053 1 16 565 ASP . 11053 1 17 566 ALA . 11053 1 18 567 GLU . 11053 1 19 568 ILE . 11053 1 20 569 THR . 11053 1 21 570 GLY . 11053 1 22 571 SER . 11053 1 23 572 SER . 11053 1 24 573 GLU . 11053 1 25 574 ARG . 11053 1 26 575 VAL . 11053 1 27 576 ASP . 11053 1 28 577 VAL . 11053 1 29 578 ARG . 11053 1 30 579 LEU . 11053 1 31 580 ASP . 11053 1 32 581 ASP . 11053 1 33 582 ASP . 11053 1 34 583 GLY . 11053 1 35 584 ASN . 11053 1 36 585 PHE . 11053 1 37 586 GLN . 11053 1 38 587 LEU . 11053 1 39 588 MET . 11053 1 40 589 ASN . 11053 1 41 590 ASP . 11053 1 42 591 PRO . 11053 1 43 592 GLY . 11053 1 44 593 ALA . 11053 1 45 594 PRO . 11053 1 46 595 TRP . 11053 1 47 596 ALA . 11053 1 48 597 GLY . 11053 1 49 598 GLY . 11053 1 50 599 GLY . 11053 1 51 600 GLY . 11053 1 52 601 SER . 11053 1 53 602 GLY . 11053 1 54 603 GLY . 11053 1 55 604 GLY . 11053 1 56 605 GLY . 11053 1 57 1 GLY . 11053 1 58 2 GLY . 11053 1 59 3 VAL . 11053 1 60 4 LEU . 11053 1 61 5 TRP . 11053 1 62 6 ASP . 11053 1 63 7 THR . 11053 1 64 8 PRO . 11053 1 65 9 SER . 11053 1 66 10 PRO . 11053 1 67 11 LYS . 11053 1 68 12 GLU . 11053 1 69 13 TYR . 11053 1 70 14 LYS . 11053 1 71 15 LYS . 11053 1 72 16 GLY . 11053 1 73 17 ASP . 11053 1 74 18 THR . 11053 1 75 19 THR . 11053 1 76 20 THR . 11053 1 77 21 GLY . 11053 1 78 22 VAL . 11053 1 79 23 TYR . 11053 1 80 24 ARG . 11053 1 81 25 ILE . 11053 1 82 26 MET . 11053 1 83 27 THR . 11053 1 84 28 ARG . 11053 1 85 29 GLY . 11053 1 86 30 LEU . 11053 1 87 31 LEU . 11053 1 88 32 GLY . 11053 1 89 33 SER . 11053 1 90 34 TYR . 11053 1 91 35 GLN . 11053 1 92 36 ALA . 11053 1 93 37 GLY . 11053 1 94 38 ALA . 11053 1 95 39 GLY . 11053 1 96 40 VAL . 11053 1 97 41 MET . 11053 1 98 42 VAL . 11053 1 99 43 GLU . 11053 1 100 44 GLY . 11053 1 101 45 VAL . 11053 1 102 46 PHE . 11053 1 103 47 HIS . 11053 1 104 48 THR . 11053 1 105 49 LEU . 11053 1 106 50 TRP . 11053 1 107 51 HIS . 11053 1 108 52 THR . 11053 1 109 53 THR . 11053 1 110 54 LYS . 11053 1 111 55 GLY . 11053 1 112 56 ALA . 11053 1 113 57 ALA . 11053 1 114 58 LEU . 11053 1 115 59 MET . 11053 1 116 60 SER . 11053 1 117 61 GLY . 11053 1 118 62 GLU . 11053 1 119 63 GLY . 11053 1 120 64 ARG . 11053 1 121 65 LEU . 11053 1 122 66 ASP . 11053 1 123 67 PRO . 11053 1 124 68 TYR . 11053 1 125 69 TRP . 11053 1 126 70 GLY . 11053 1 127 71 SER . 11053 1 128 72 VAL . 11053 1 129 73 LYS . 11053 1 130 74 GLU . 11053 1 131 75 ASP . 11053 1 132 76 ARG . 11053 1 133 77 LEU . 11053 1 134 78 CYS . 11053 1 135 79 TYR . 11053 1 136 80 GLY . 11053 1 137 81 GLY . 11053 1 138 82 PRO . 11053 1 139 83 TRP . 11053 1 140 84 LYS . 11053 1 141 85 LEU . 11053 1 142 86 GLN . 11053 1 143 87 HIS . 11053 1 144 88 LYS . 11053 1 145 89 TRP . 11053 1 146 90 ASN . 11053 1 147 91 GLY . 11053 1 148 92 HIS . 11053 1 149 93 ASP . 11053 1 150 94 GLU . 11053 1 151 95 VAL . 11053 1 152 96 GLN . 11053 1 153 97 MET . 11053 1 154 98 ILE . 11053 1 155 99 VAL . 11053 1 156 100 VAL . 11053 1 157 101 GLU . 11053 1 158 102 PRO . 11053 1 159 103 GLY . 11053 1 160 104 LYS . 11053 1 161 105 ASN . 11053 1 162 106 VAL . 11053 1 163 107 LYS . 11053 1 164 108 ASN . 11053 1 165 109 VAL . 11053 1 166 110 GLN . 11053 1 167 111 THR . 11053 1 168 112 LYS . 11053 1 169 113 PRO . 11053 1 170 114 GLY . 11053 1 171 115 VAL . 11053 1 172 116 PHE . 11053 1 173 117 LYS . 11053 1 174 118 THR . 11053 1 175 119 PRO . 11053 1 176 120 GLU . 11053 1 177 121 GLY . 11053 1 178 122 GLU . 11053 1 179 123 ILE . 11053 1 180 124 GLY . 11053 1 181 125 ALA . 11053 1 182 126 VAL . 11053 1 183 127 THR . 11053 1 184 128 LEU . 11053 1 185 129 ASP . 11053 1 186 130 TYR . 11053 1 187 131 PRO . 11053 1 188 132 THR . 11053 1 189 133 GLY . 11053 1 190 134 THR . 11053 1 191 135 SER . 11053 1 192 136 GLY . 11053 1 193 137 SER . 11053 1 194 138 PRO . 11053 1 195 139 ILE . 11053 1 196 140 VAL . 11053 1 197 141 ASP . 11053 1 198 142 LYS . 11053 1 199 143 ASN . 11053 1 200 144 GLY . 11053 1 201 145 ASP . 11053 1 202 146 VAL . 11053 1 203 147 ILE . 11053 1 204 148 GLY . 11053 1 205 149 LEU . 11053 1 206 150 TYR . 11053 1 207 151 GLY . 11053 1 208 152 ASN . 11053 1 209 153 GLY . 11053 1 210 154 VAL . 11053 1 211 155 ILE . 11053 1 212 156 MET . 11053 1 213 157 PRO . 11053 1 214 158 ASN . 11053 1 215 159 GLY . 11053 1 216 160 SER . 11053 1 217 161 TYR . 11053 1 218 162 ILE . 11053 1 219 163 SER . 11053 1 220 164 ALA . 11053 1 221 165 ILE . 11053 1 222 166 VAL . 11053 1 223 167 GLN . 11053 1 224 168 GLY . 11053 1 225 169 GLU . 11053 1 226 170 ARG . 11053 1 227 171 MET . 11053 1 228 172 GLU . 11053 1 229 173 GLU . 11053 1 230 174 PRO . 11053 1 231 175 ALA . 11053 1 232 176 PRO . 11053 1 233 177 ALA . 11053 1 234 178 GLY . 11053 1 235 179 PHE . 11053 1 236 180 GLU . 11053 1 237 181 PRO . 11053 1 238 182 GLU . 11053 1 239 183 MET . 11053 1 240 184 LEU . 11053 1 241 185 ARG . 11053 1 242 186 LYS . 11053 1 243 187 LYS . 11053 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 . THR 1 1 11053 1 . ASP 2 2 11053 1 . MET 3 3 11053 1 . TRP 4 4 11053 1 . ILE 5 5 11053 1 . GLU 6 6 11053 1 . ARG 7 7 11053 1 . THR 8 8 11053 1 . ALA 9 9 11053 1 . ASP 10 10 11053 1 . ILE 11 11 11053 1 . THR 12 12 11053 1 . TRP 13 13 11053 1 . GLU 14 14 11053 1 . SER 15 15 11053 1 . ASP 16 16 11053 1 . ALA 17 17 11053 1 . GLU 18 18 11053 1 . ILE 19 19 11053 1 . THR 20 20 11053 1 . GLY 21 21 11053 1 . SER 22 22 11053 1 . SER 23 23 11053 1 . GLU 24 24 11053 1 . ARG 25 25 11053 1 . VAL 26 26 11053 1 . ASP 27 27 11053 1 . VAL 28 28 11053 1 . ARG 29 29 11053 1 . LEU 30 30 11053 1 . ASP 31 31 11053 1 . ASP 32 32 11053 1 . ASP 33 33 11053 1 . GLY 34 34 11053 1 . ASN 35 35 11053 1 . PHE 36 36 11053 1 . GLN 37 37 11053 1 . LEU 38 38 11053 1 . MET 39 39 11053 1 . ASN 40 40 11053 1 . ASP 41 41 11053 1 . PRO 42 42 11053 1 . GLY 43 43 11053 1 . ALA 44 44 11053 1 . PRO 45 45 11053 1 . TRP 46 46 11053 1 . ALA 47 47 11053 1 . GLY 48 48 11053 1 . GLY 49 49 11053 1 . GLY 50 50 11053 1 . GLY 51 51 11053 1 . SER 52 52 11053 1 . GLY 53 53 11053 1 . GLY 54 54 11053 1 . GLY 55 55 11053 1 . GLY 56 56 11053 1 . GLY 57 57 11053 1 . GLY 58 58 11053 1 . VAL 59 59 11053 1 . LEU 60 60 11053 1 . TRP 61 61 11053 1 . ASP 62 62 11053 1 . THR 63 63 11053 1 . PRO 64 64 11053 1 . SER 65 65 11053 1 . PRO 66 66 11053 1 . LYS 67 67 11053 1 . GLU 68 68 11053 1 . TYR 69 69 11053 1 . LYS 70 70 11053 1 . LYS 71 71 11053 1 . GLY 72 72 11053 1 . ASP 73 73 11053 1 . THR 74 74 11053 1 . THR 75 75 11053 1 . THR 76 76 11053 1 . GLY 77 77 11053 1 . VAL 78 78 11053 1 . TYR 79 79 11053 1 . ARG 80 80 11053 1 . ILE 81 81 11053 1 . MET 82 82 11053 1 . THR 83 83 11053 1 . ARG 84 84 11053 1 . GLY 85 85 11053 1 . LEU 86 86 11053 1 . LEU 87 87 11053 1 . GLY 88 88 11053 1 . SER 89 89 11053 1 . TYR 90 90 11053 1 . GLN 91 91 11053 1 . ALA 92 92 11053 1 . GLY 93 93 11053 1 . ALA 94 94 11053 1 . GLY 95 95 11053 1 . VAL 96 96 11053 1 . MET 97 97 11053 1 . VAL 98 98 11053 1 . GLU 99 99 11053 1 . GLY 100 100 11053 1 . VAL 101 101 11053 1 . PHE 102 102 11053 1 . HIS 103 103 11053 1 . THR 104 104 11053 1 . LEU 105 105 11053 1 . TRP 106 106 11053 1 . HIS 107 107 11053 1 . THR 108 108 11053 1 . THR 109 109 11053 1 . LYS 110 110 11053 1 . GLY 111 111 11053 1 . ALA 112 112 11053 1 . ALA 113 113 11053 1 . LEU 114 114 11053 1 . MET 115 115 11053 1 . SER 116 116 11053 1 . GLY 117 117 11053 1 . GLU 118 118 11053 1 . GLY 119 119 11053 1 . ARG 120 120 11053 1 . LEU 121 121 11053 1 . ASP 122 122 11053 1 . PRO 123 123 11053 1 . TYR 124 124 11053 1 . TRP 125 125 11053 1 . GLY 126 126 11053 1 . SER 127 127 11053 1 . VAL 128 128 11053 1 . LYS 129 129 11053 1 . GLU 130 130 11053 1 . ASP 131 131 11053 1 . ARG 132 132 11053 1 . LEU 133 133 11053 1 . CYS 134 134 11053 1 . TYR 135 135 11053 1 . GLY 136 136 11053 1 . GLY 137 137 11053 1 . PRO 138 138 11053 1 . TRP 139 139 11053 1 . LYS 140 140 11053 1 . LEU 141 141 11053 1 . GLN 142 142 11053 1 . HIS 143 143 11053 1 . LYS 144 144 11053 1 . TRP 145 145 11053 1 . ASN 146 146 11053 1 . GLY 147 147 11053 1 . HIS 148 148 11053 1 . ASP 149 149 11053 1 . GLU 150 150 11053 1 . VAL 151 151 11053 1 . GLN 152 152 11053 1 . MET 153 153 11053 1 . ILE 154 154 11053 1 . VAL 155 155 11053 1 . VAL 156 156 11053 1 . GLU 157 157 11053 1 . PRO 158 158 11053 1 . GLY 159 159 11053 1 . LYS 160 160 11053 1 . ASN 161 161 11053 1 . VAL 162 162 11053 1 . LYS 163 163 11053 1 . ASN 164 164 11053 1 . VAL 165 165 11053 1 . GLN 166 166 11053 1 . THR 167 167 11053 1 . LYS 168 168 11053 1 . PRO 169 169 11053 1 . GLY 170 170 11053 1 . VAL 171 171 11053 1 . PHE 172 172 11053 1 . LYS 173 173 11053 1 . THR 174 174 11053 1 . PRO 175 175 11053 1 . GLU 176 176 11053 1 . GLY 177 177 11053 1 . GLU 178 178 11053 1 . ILE 179 179 11053 1 . GLY 180 180 11053 1 . ALA 181 181 11053 1 . VAL 182 182 11053 1 . THR 183 183 11053 1 . LEU 184 184 11053 1 . ASP 185 185 11053 1 . TYR 186 186 11053 1 . PRO 187 187 11053 1 . THR 188 188 11053 1 . GLY 189 189 11053 1 . THR 190 190 11053 1 . SER 191 191 11053 1 . GLY 192 192 11053 1 . SER 193 193 11053 1 . PRO 194 194 11053 1 . ILE 195 195 11053 1 . VAL 196 196 11053 1 . ASP 197 197 11053 1 . LYS 198 198 11053 1 . ASN 199 199 11053 1 . GLY 200 200 11053 1 . ASP 201 201 11053 1 . VAL 202 202 11053 1 . ILE 203 203 11053 1 . GLY 204 204 11053 1 . LEU 205 205 11053 1 . TYR 206 206 11053 1 . GLY 207 207 11053 1 . ASN 208 208 11053 1 . GLY 209 209 11053 1 . VAL 210 210 11053 1 . ILE 211 211 11053 1 . MET 212 212 11053 1 . PRO 213 213 11053 1 . ASN 214 214 11053 1 . GLY 215 215 11053 1 . SER 216 216 11053 1 . TYR 217 217 11053 1 . ILE 218 218 11053 1 . SER 219 219 11053 1 . ALA 220 220 11053 1 . ILE 221 221 11053 1 . VAL 222 222 11053 1 . GLN 223 223 11053 1 . GLY 224 224 11053 1 . GLU 225 225 11053 1 . ARG 226 226 11053 1 . MET 227 227 11053 1 . GLU 228 228 11053 1 . GLU 229 229 11053 1 . PRO 230 230 11053 1 . ALA 231 231 11053 1 . PRO 232 232 11053 1 . ALA 233 233 11053 1 . GLY 234 234 11053 1 . PHE 235 235 11053 1 . GLU 236 236 11053 1 . PRO 237 237 11053 1 . GLU 238 238 11053 1 . MET 239 239 11053 1 . LEU 240 240 11053 1 . ARG 241 241 11053 1 . LYS 242 242 11053 1 . LYS 243 243 11053 1 stop_ save_ save_entity_MITU-PXY _Entity.Sf_category entity _Entity.Sf_framecode entity_MITU-PXY _Entity.Entry_ID 11053 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name 2,5-methylenisothiourea-PXY _Entity.Type non-polymer _Entity.Polymer_common_type . _Entity.Polymer_type . _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code . _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID MITU-PXY _Entity.Nonpolymer_comp_label $chem_comp_MITU-PXY _Entity.Number_of_monomers . _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . 1 $chem_comp_MITU-PXY 11053 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 11053 _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 $entity_1 . 11082 virus . 'West Nile virus' 'West Nile virus' . . . . Flavivirus 'West Nile virus' . . . . . . . . . . . . . . . . . . . . . 11053 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 11053 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 11053 1 stop_ save_ ################################# # Polymer residues and ligands # ################################# save_chem_comp_MITU-PXY _Chem_comp.Sf_category chem_comp _Chem_comp.Sf_framecode chem_comp_MITU-PXY _Chem_comp.Entry_ID 11053 _Chem_comp.ID 1 _Chem_comp.Provenance . _Chem_comp.Name 2,5-methylenisothiourea-PXY _Chem_comp.Type non-polymer _Chem_comp.BMRB_code . _Chem_comp.PDB_code . _Chem_comp.Ambiguous_flag . _Chem_comp.Initial_date . _Chem_comp.Modified_date . _Chem_comp.Release_status . _Chem_comp.Replaced_by . _Chem_comp.Replaces . _Chem_comp.One_letter_code . _Chem_comp.Three_letter_code . _Chem_comp.Number_atoms_all . _Chem_comp.Number_atoms_nh . _Chem_comp.PubChem_code . _Chem_comp.Subcomponent_list . _Chem_comp.InChI_code . _Chem_comp.Mon_nstd_flag . _Chem_comp.Mon_nstd_class . _Chem_comp.Mon_nstd_details . _Chem_comp.Mon_nstd_parent . _Chem_comp.Mon_nstd_parent_comp_ID . _Chem_comp.Std_deriv_one_letter_code . _Chem_comp.Std_deriv_three_letter_code . _Chem_comp.Std_deriv_BMRB_code . _Chem_comp.Std_deriv_PDB_code . _Chem_comp.Std_deriv_chem_comp_name . _Chem_comp.Synonyms . _Chem_comp.Formal_charge . _Chem_comp.Paramagnetic no _Chem_comp.Aromatic yes _Chem_comp.Formula 'C12 H20 N4 S2' _Chem_comp.Formula_weight 284.444 _Chem_comp.Formula_mono_iso_wt_nat . _Chem_comp.Formula_mono_iso_wt_13C . _Chem_comp.Formula_mono_iso_wt_15N . _Chem_comp.Formula_mono_iso_wt_13C_15N . _Chem_comp.Image_file_name . _Chem_comp.Image_file_format . _Chem_comp.Topo_file_name . _Chem_comp.Topo_file_format . _Chem_comp.Struct_file_name . _Chem_comp.Struct_file_format . _Chem_comp.Stereochem_param_file_name . _Chem_comp.Stereochem_param_file_format . _Chem_comp.Model_details . _Chem_comp.Model_erf . _Chem_comp.Model_source . _Chem_comp.Model_coordinates_details . _Chem_comp.Model_coordinates_missing_flag . _Chem_comp.Ideal_coordinates_details . _Chem_comp.Ideal_coordinates_missing_flag . _Chem_comp.Model_coordinates_db_code . _Chem_comp.Processing_site . _Chem_comp.Vendor . _Chem_comp.Vendor_product_code . _Chem_comp.Details ; IUPAC name for the component is (amino{[4-({[amino(ammonio)methyl]thio}methyl)-2,5-dimethylbenzyl]thio}methylidene)ammonium dichloride Empirical formula : [C12 H20 N4 S2 Cl2] Fomula weight : 355.3436 Both Cl ions are free from the moiety and/or bound to it with ionic bond. ; _Chem_comp.DB_query_date . _Chem_comp.DB_last_query_revised_last_date . loop_ _Chem_comp_descriptor.Descriptor _Chem_comp_descriptor.Type _Chem_comp_descriptor.Program _Chem_comp_descriptor.Program_version _Chem_comp_descriptor.Entry_ID _Chem_comp_descriptor.Comp_ID Cc1cc(c(cc1CSC(=[NH2+])N)C)CSC(=[NH2+])N SMILES 'OpenEye OEToolkits' 1.5.0 11053 1 Cc1cc(c(cc1CSC(=[NH2+])N)C)CSC(=[NH2+])N SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11053 1 Cc1cc(CSC(N)=[NH2+])c(C)cc1CSC(N)=[NH2+] SMILES CACTVS 3.341 11053 1 Cc1cc(CSC(N)=[NH2+])c(C)cc1CSC(N)=[NH2+] SMILES_CANONICAL CACTVS 3.341 11053 1 InChI=1/C12H18N4S2/c1-7-3-10(6-18-12(15)16)8(2)4-9(7)5-17-11(13)14/h3-4H,5-6H2,1-2H3,(H3,13,14)(H3,15,16)/p+2/fC12H20N4S2/h13-16H2/q+2 InChI InChI 1.02b 11053 1 MVXKEWOQELXFTO-YUPNTANUCD InChIKey InChI 1.02b 11053 1 stop_ loop_ _Chem_comp_identifier.Identifier _Chem_comp_identifier.Type _Chem_comp_identifier.Program _Chem_comp_identifier.Program_version _Chem_comp_identifier.Entry_ID _Chem_comp_identifier.Comp_ID [(2,5-dimethylbenzene-1,4-diyl)bis(methanediylsulfanediyl)]bis(aminomethaniminium) 'SYSTEMATIC NAME' ACDLabs 10.04 11053 1 [amino-[[4-[(amino-azaniumylidene-methyl)sulfanylmethyl]-2,5-dimethyl-phenyl]methylsulfanyl]methylidene]azanium 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11053 1 stop_ loop_ _Chem_comp_atom.Atom_ID _Chem_comp_atom.BMRB_code _Chem_comp_atom.PDB_atom_ID _Chem_comp_atom.Alt_atom_ID _Chem_comp_atom.Auth_atom_ID _Chem_comp_atom.Type_symbol _Chem_comp_atom.Isotope_number _Chem_comp_atom.Chirality _Chem_comp_atom.Stereo_config _Chem_comp_atom.Charge _Chem_comp_atom.Partial_charge _Chem_comp_atom.Oxidation_number _Chem_comp_atom.Unpaired_electron_number _Chem_comp_atom.Align _Chem_comp_atom.Aromatic_flag _Chem_comp_atom.Leaving_atom_flag _Chem_comp_atom.Substruct_code _Chem_comp_atom.Ionizable _Chem_comp_atom.Drawing_2D_coord_x _Chem_comp_atom.Drawing_2D_coord_y _Chem_comp_atom.Model_Cartn_x _Chem_comp_atom.Model_Cartn_x_esd _Chem_comp_atom.Model_Cartn_y _Chem_comp_atom.Model_Cartn_y_esd _Chem_comp_atom.Model_Cartn_z _Chem_comp_atom.Model_Cartn_z_esd _Chem_comp_atom.Model_Cartn_x_ideal _Chem_comp_atom.Model_Cartn_y_ideal _Chem_comp_atom.Model_Cartn_z_ideal _Chem_comp_atom.PDBX_ordinal _Chem_comp_atom.Details _Chem_comp_atom.Entry_ID _Chem_comp_atom.Comp_ID C1 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 1 . 11053 1 C2 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 2 . 11053 1 C3 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 3 . 11053 1 C4 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 4 . 11053 1 C5 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 5 . 11053 1 C6 . . . . C . . . 0 . . . . yes no . . . . . . . . . . . . . 6 . 11053 1 C7 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 7 . 11053 1 C8 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 8 . 11053 1 C9 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 9 . 11053 1 C10 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 10 . 11053 1 S1 . . . . S . . . 0 . . . . no no . . . . . . . . . . . . . 11 . 11053 1 S2 . . . . S . . . 0 . . . . no no . . . . . . . . . . . . . 12 . 11053 1 C11 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 13 . 11053 1 C12 . . . . C . . . 0 . . . . no no . . . . . . . . . . . . . 14 . 11053 1 N1 . . . . N . . . 0 . . . . no no . . . . . . . . . . . . . 15 . 11053 1 N2 . . . . N . . . 1 . . . . no no . . . . . . . . . . . . . 16 . 11053 1 N3 . . . . N . . . 1 . . . . no no . . . . . . . . . . . . . 17 . 11053 1 N4 . . . . N . . . 0 . . . . no no . . . . . . . . . . . . . 18 . 11053 1 H1 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 19 . 11053 1 H2 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 20 . 11053 1 H3 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 21 . 11053 1 H4 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 22 . 11053 1 H5 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 23 . 11053 1 H6 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 24 . 11053 1 H7 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 25 . 11053 1 H8 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 26 . 11053 1 H9 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 27 . 11053 1 H10 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 28 . 11053 1 H11 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 29 . 11053 1 H12 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 30 . 11053 1 H13 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 31 . 11053 1 H14 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 32 . 11053 1 H15 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 33 . 11053 1 H16 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 34 . 11053 1 H17 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 35 . 11053 1 H18 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 36 . 11053 1 H19 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 37 . 11053 1 H20 . . . . H . . . 0 . . . . no no . . . . . . . . . . . . . 38 . 11053 1 stop_ loop_ _Chem_comp_bond.ID _Chem_comp_bond.Type _Chem_comp_bond.Value_order _Chem_comp_bond.Atom_ID_1 _Chem_comp_bond.Atom_ID_2 _Chem_comp_bond.Aromatic_flag _Chem_comp_bond.Stereo_config _Chem_comp_bond.Ordinal _Chem_comp_bond.Details _Chem_comp_bond.Entry_ID _Chem_comp_bond.Comp_ID 1 . SING C1 C2 . . . . 11053 1 2 . DOUB C1 C6 . . . . 11053 1 3 . DOUB C2 C3 . . . . 11053 1 4 . SING C3 C4 . . . . 11053 1 5 . DOUB C4 C5 . . . . 11053 1 6 . SING C5 C6 . . . . 11053 1 7 . SING C1 C7 . . . . 11053 1 8 . SING C4 C8 . . . . 11053 1 9 . SING C5 C9 . . . . 11053 1 10 . SING C2 C10 . . . . 11053 1 11 . SING C10 S1 . . . . 11053 1 12 . SING C9 S2 . . . . 11053 1 13 . SING S1 C11 . . . . 11053 1 14 . SING S2 C12 . . . . 11053 1 15 . SING C11 N1 . . . . 11053 1 16 . DOUB C11 N2 . . . . 11053 1 17 . DOUB C12 N3 . . . . 11053 1 18 . SING C12 N4 . . . . 11053 1 19 . SING C3 H1 . . . . 11053 1 20 . SING C6 H2 . . . . 11053 1 21 . SING C7 H3 . . . . 11053 1 22 . SING C7 H4 . . . . 11053 1 23 . SING C7 H5 . . . . 11053 1 24 . SING C8 H6 . . . . 11053 1 25 . SING C8 H7 . . . . 11053 1 26 . SING C8 H8 . . . . 11053 1 27 . SING C9 H9 . . . . 11053 1 28 . SING C9 H10 . . . . 11053 1 29 . SING C10 H11 . . . . 11053 1 30 . SING C10 H12 . . . . 11053 1 31 . SING N1 H13 . . . . 11053 1 32 . SING N1 H14 . . . . 11053 1 33 . SING N2 H15 . . . . 11053 1 34 . SING N2 H16 . . . . 11053 1 35 . SING N3 H17 . . . . 11053 1 36 . SING N3 H18 . . . . 11053 1 37 . SING N4 H19 . . . . 11053 1 38 . SING N4 H20 . . . . 11053 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11053 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'the West Nile virus NS2B(K96A)-NS3 protease' '[U-98% 13C; U-98% 15N]' . . 1 $entity_1 . . 0.9 . . mM . . . . 11053 1 2 2,5-methylenisothiourea-PXY 'natural abundance' . . 2 $entity_MITU-PXY . . 3 . . mM . . . . 11053 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 11053 _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 . M 11053 1 pH 7.0 . pH 11053 1 pressure 1 . atm 11053 1 temperature 298 . K 11053 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 11053 _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 . . 11053 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 11053 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11053 _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 11053 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11053 _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 . . . 11053 1 2 spectrometer_2 Bruker Avance . 800 . . . 11053 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 11053 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11053 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11053 1 3 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11053 1 4 '3D CC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11053 1 5 '3D (H)CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11053 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11053 1 7 '3D 13C-HMQC-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 11053 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 11053 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 11053 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 11053 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 11053 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 11053 _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.2 _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' 1 $sample_1 isotropic 11053 1 2 '3D HNCA' 1 $sample_1 isotropic 11053 1 3 '3D HN(CO)CA' 1 $sample_1 isotropic 11053 1 4 '3D CC(CO)NH' 1 $sample_1 isotropic 11053 1 5 '3D (H)CCH-TOCSY' 1 $sample_1 isotropic 11053 1 6 '3D 1H-15N NOESY' 1 $sample_1 isotropic 11053 1 7 '3D 13C-HMQC-NOESY' 1 $sample_1 isotropic 11053 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 THR H H 1 7.826 0.02 . 1 . . . . 550 THR H . 11053 1 2 . 1 1 1 1 THR HA H 1 4.336 0.02 . 1 . . . . 550 THR HA . 11053 1 3 . 1 1 1 1 THR HB H 1 3.846 0.02 . 1 . . . . 550 THR HB . 11053 1 4 . 1 1 1 1 THR HG21 H 1 1.016 0.02 . 1 . . . . 550 THR MG . 11053 1 5 . 1 1 1 1 THR HG22 H 1 1.016 0.02 . 1 . . . . 550 THR MG . 11053 1 6 . 1 1 1 1 THR HG23 H 1 1.016 0.02 . 1 . . . . 550 THR MG . 11053 1 7 . 1 1 1 1 THR CA C 13 60.897 0.2 . 1 . . . . 550 THR CA . 11053 1 8 . 1 1 1 1 THR CB C 13 70.227 0.2 . 1 . . . . 550 THR CB . 11053 1 9 . 1 1 1 1 THR CG2 C 13 21.687 0.2 . 1 . . . . 550 THR CG2 . 11053 1 10 . 1 1 1 1 THR N N 15 113.446 0.2 . 1 . . . . 550 THR N . 11053 1 11 . 1 1 2 2 ASP H H 1 8.336 0.02 . 1 . . . . 551 ASP H . 11053 1 12 . 1 1 2 2 ASP HA H 1 4.216 0.02 . 1 . . . . 551 ASP HA . 11053 1 13 . 1 1 2 2 ASP HB2 H 1 2.576 0.02 . 2 . . . . 551 ASP HB2 . 11053 1 14 . 1 1 2 2 ASP HB3 H 1 2.766 0.02 . 2 . . . . 551 ASP HB3 . 11053 1 15 . 1 1 2 2 ASP CA C 13 55.067 0.2 . 1 . . . . 551 ASP CA . 11053 1 16 . 1 1 2 2 ASP CB C 13 41.967 0.2 . 1 . . . . 551 ASP CB . 11053 1 17 . 1 1 2 2 ASP N N 15 122.116 0.2 . 1 . . . . 551 ASP N . 11053 1 18 . 1 1 3 3 MET H H 1 8.216 0.02 . 1 . . . . 552 MET H . 11053 1 19 . 1 1 3 3 MET HA H 1 5.226 0.02 . 1 . . . . 552 MET HA . 11053 1 20 . 1 1 3 3 MET HB2 H 1 2.106 0.02 . 2 . . . . 552 MET HB2 . 11053 1 21 . 1 1 3 3 MET HB3 H 1 2.106 0.02 . 2 . . . . 552 MET HB3 . 11053 1 22 . 1 1 3 3 MET HG2 H 1 2.536 0.02 . 2 . . . . 552 MET HG2 . 11053 1 23 . 1 1 3 3 MET HG3 H 1 2.536 0.02 . 2 . . . . 552 MET HG3 . 11053 1 24 . 1 1 3 3 MET CA C 13 55.387 0.2 . 1 . . . . 552 MET CA . 11053 1 25 . 1 1 3 3 MET CB C 13 36.077 0.2 . 1 . . . . 552 MET CB . 11053 1 26 . 1 1 3 3 MET CG C 13 32.101 0.2 . 1 . . . . 552 MET CG . 11053 1 27 . 1 1 3 3 MET N N 15 119.536 0.2 . 1 . . . . 552 MET N . 11053 1 28 . 1 1 4 4 TRP H H 1 8.696 0.02 . 1 . . . . 553 TRP H . 11053 1 29 . 1 1 4 4 TRP HA H 1 5.356 0.02 . 1 . . . . 553 TRP HA . 11053 1 30 . 1 1 4 4 TRP HB2 H 1 3.106 0.02 . 2 . . . . 553 TRP HB2 . 11053 1 31 . 1 1 4 4 TRP HB3 H 1 3.106 0.02 . 2 . . . . 553 TRP HB3 . 11053 1 32 . 1 1 4 4 TRP CA C 13 56.377 0.2 . 1 . . . . 553 TRP CA . 11053 1 33 . 1 1 4 4 TRP CB C 13 29.757 0.2 . 1 . . . . 553 TRP CB . 11053 1 34 . 1 1 4 4 TRP N N 15 122.006 0.2 . 1 . . . . 553 TRP N . 11053 1 35 . 1 1 5 5 ILE H H 1 8.056 0.02 . 1 . . . . 554 ILE H . 11053 1 36 . 1 1 5 5 ILE HA H 1 5.566 0.02 . 1 . . . . 554 ILE HA . 11053 1 37 . 1 1 5 5 ILE HB H 1 2.026 0.02 . 1 . . . . 554 ILE HB . 11053 1 38 . 1 1 5 5 ILE HG12 H 1 1.136 0.02 . 2 . . . . 554 ILE HG12 . 11053 1 39 . 1 1 5 5 ILE HG13 H 1 1.136 0.02 . 2 . . . . 554 ILE HG13 . 11053 1 40 . 1 1 5 5 ILE HG21 H 1 0.606 0.02 . 1 . . . . 554 ILE MG . 11053 1 41 . 1 1 5 5 ILE HG22 H 1 0.606 0.02 . 1 . . . . 554 ILE MG . 11053 1 42 . 1 1 5 5 ILE HG23 H 1 0.606 0.02 . 1 . . . . 554 ILE MG . 11053 1 43 . 1 1 5 5 ILE HD11 H 1 0.026 0.02 . 1 . . . . 554 ILE MD . 11053 1 44 . 1 1 5 5 ILE HD12 H 1 0.026 0.02 . 1 . . . . 554 ILE MD . 11053 1 45 . 1 1 5 5 ILE HD13 H 1 0.026 0.02 . 1 . . . . 554 ILE MD . 11053 1 46 . 1 1 5 5 ILE CA C 13 58.057 0.2 . 1 . . . . 554 ILE CA . 11053 1 47 . 1 1 5 5 ILE CB C 13 36.867 0.2 . 1 . . . . 554 ILE CB . 11053 1 48 . 1 1 5 5 ILE CG2 C 13 21.877 0.2 . 1 . . . . 554 ILE CG2 . 11053 1 49 . 1 1 5 5 ILE CD1 C 13 20.117 0.2 . 1 . . . . 554 ILE CD1 . 11053 1 50 . 1 1 5 5 ILE N N 15 109.586 0.2 . 1 . . . . 554 ILE N . 11053 1 51 . 1 1 6 6 GLU H H 1 8.486 0.02 . 1 . . . . 555 GLU H . 11053 1 52 . 1 1 6 6 GLU HA H 1 4.766 0.02 . 1 . . . . 555 GLU HA . 11053 1 53 . 1 1 6 6 GLU HB2 H 1 1.906 0.02 . 2 . . . . 555 GLU HB2 . 11053 1 54 . 1 1 6 6 GLU HB3 H 1 1.906 0.02 . 2 . . . . 555 GLU HB3 . 11053 1 55 . 1 1 6 6 GLU HG2 H 1 2.106 0.02 . 2 . . . . 555 GLU HG2 . 11053 1 56 . 1 1 6 6 GLU HG3 H 1 2.276 0.02 . 2 . . . . 555 GLU HG3 . 11053 1 57 . 1 1 6 6 GLU CA C 13 54.237 0.2 . 1 . . . . 555 GLU CA . 11053 1 58 . 1 1 6 6 GLU CB C 13 33.767 0.2 . 1 . . . . 555 GLU CB . 11053 1 59 . 1 1 6 6 GLU CG C 13 36.427 0.2 . 1 . . . . 555 GLU CG . 11053 1 60 . 1 1 6 6 GLU N N 15 120.116 0.2 . 1 . . . . 555 GLU N . 11053 1 61 . 1 1 7 7 ARG H H 1 9.236 0.02 . 1 . . . . 556 ARG H . 11053 1 62 . 1 1 7 7 ARG HA H 1 4.736 0.02 . 1 . . . . 556 ARG HA . 11053 1 63 . 1 1 7 7 ARG HB2 H 1 1.606 0.02 . 4 . . . . 556 ARG HB2 . 11053 1 64 . 1 1 7 7 ARG HB3 H 1 1.676 0.02 . 4 . . . . 556 ARG HB3 . 11053 1 65 . 1 1 7 7 ARG HG2 H 1 1.586 0.02 . 4 . . . . 556 ARG HG2 . 11053 1 66 . 1 1 7 7 ARG HG3 H 1 1.636 0.02 . 4 . . . . 556 ARG HG3 . 11053 1 67 . 1 1 7 7 ARG HD2 H 1 2.716 0.02 . 2 . . . . 556 ARG HD2 . 11053 1 68 . 1 1 7 7 ARG HD3 H 1 2.716 0.02 . 2 . . . . 556 ARG HD3 . 11053 1 69 . 1 1 7 7 ARG CA C 13 58.137 0.2 . 1 . . . . 556 ARG CA . 11053 1 70 . 1 1 7 7 ARG CB C 13 33.817 0.2 . 1 . . . . 556 ARG CB . 11053 1 71 . 1 1 7 7 ARG CG C 13 27.257 0.2 . 1 . . . . 556 ARG CG . 11053 1 72 . 1 1 7 7 ARG N N 15 130.106 0.2 . 1 . . . . 556 ARG N . 11053 1 73 . 1 1 8 8 THR H H 1 9.056 0.02 . 1 . . . . 557 THR H . 11053 1 74 . 1 1 8 8 THR HA H 1 4.736 0.02 . 1 . . . . 557 THR HA . 11053 1 75 . 1 1 8 8 THR HB H 1 3.656 0.02 . 1 . . . . 557 THR HB . 11053 1 76 . 1 1 8 8 THR HG21 H 1 0.866 0.02 . 1 . . . . 557 THR MG . 11053 1 77 . 1 1 8 8 THR HG22 H 1 0.866 0.02 . 1 . . . . 557 THR MG . 11053 1 78 . 1 1 8 8 THR HG23 H 1 0.866 0.02 . 1 . . . . 557 THR MG . 11053 1 79 . 1 1 8 8 THR CA C 13 60.387 0.2 . 1 . . . . 557 THR CA . 11053 1 80 . 1 1 8 8 THR CB C 13 71.937 0.2 . 1 . . . . 557 THR CB . 11053 1 81 . 1 1 8 8 THR CG2 C 13 20.907 0.2 . 1 . . . . 557 THR CG2 . 11053 1 82 . 1 1 8 8 THR N N 15 119.646 0.2 . 1 . . . . 557 THR N . 11053 1 83 . 1 1 9 9 ALA H H 1 7.466 0.02 . 1 . . . . 558 ALA H . 11053 1 84 . 1 1 9 9 ALA HA H 1 4.516 0.02 . 1 . . . . 558 ALA HA . 11053 1 85 . 1 1 9 9 ALA HB1 H 1 1.316 0.02 . 1 . . . . 558 ALA MB . 11053 1 86 . 1 1 9 9 ALA HB2 H 1 1.316 0.02 . 1 . . . . 558 ALA MB . 11053 1 87 . 1 1 9 9 ALA HB3 H 1 1.316 0.02 . 1 . . . . 558 ALA MB . 11053 1 88 . 1 1 9 9 ALA CA C 13 52.247 0.2 . 1 . . . . 558 ALA CA . 11053 1 89 . 1 1 9 9 ALA CB C 13 19.387 0.2 . 1 . . . . 558 ALA CB . 11053 1 90 . 1 1 9 9 ALA N N 15 121.546 0.2 . 1 . . . . 558 ALA N . 11053 1 91 . 1 1 10 10 ASP H H 1 8.346 0.02 . 1 . . . . 559 ASP H . 11053 1 92 . 1 1 10 10 ASP HA H 1 4.686 0.02 . 1 . . . . 559 ASP HA . 11053 1 93 . 1 1 10 10 ASP HB2 H 1 2.326 0.02 . 2 . . . . 559 ASP HB2 . 11053 1 94 . 1 1 10 10 ASP HB3 H 1 2.576 0.02 . 2 . . . . 559 ASP HB3 . 11053 1 95 . 1 1 10 10 ASP CA C 13 53.437 0.2 . 1 . . . . 559 ASP CA . 11053 1 96 . 1 1 10 10 ASP CB C 13 42.447 0.2 . 1 . . . . 559 ASP CB . 11053 1 97 . 1 1 10 10 ASP N N 15 119.606 0.2 . 1 . . . . 559 ASP N . 11053 1 98 . 1 1 11 11 ILE H H 1 8.756 0.02 . 1 . . . . 560 ILE H . 11053 1 99 . 1 1 11 11 ILE HA H 1 4.716 0.02 . 1 . . . . 560 ILE HA . 11053 1 100 . 1 1 11 11 ILE HB H 1 1.766 0.02 . 1 . . . . 560 ILE HB . 11053 1 101 . 1 1 11 11 ILE HG12 H 1 0.916 0.02 . 2 . . . . 560 ILE HG12 . 11053 1 102 . 1 1 11 11 ILE HG13 H 1 0.916 0.02 . 2 . . . . 560 ILE HG13 . 11053 1 103 . 1 1 11 11 ILE HG21 H 1 0.776 0.02 . 1 . . . . 560 ILE MG . 11053 1 104 . 1 1 11 11 ILE HG22 H 1 0.776 0.02 . 1 . . . . 560 ILE MG . 11053 1 105 . 1 1 11 11 ILE HG23 H 1 0.776 0.02 . 1 . . . . 560 ILE MG . 11053 1 106 . 1 1 11 11 ILE HD11 H 1 0.636 0.02 . 1 . . . . 560 ILE MD . 11053 1 107 . 1 1 11 11 ILE HD12 H 1 0.636 0.02 . 1 . . . . 560 ILE MD . 11053 1 108 . 1 1 11 11 ILE HD13 H 1 0.636 0.02 . 1 . . . . 560 ILE MD . 11053 1 109 . 1 1 11 11 ILE CA C 13 62.007 0.2 . 1 . . . . 560 ILE CA . 11053 1 110 . 1 1 11 11 ILE CB C 13 37.877 0.2 . 1 . . . . 560 ILE CB . 11053 1 111 . 1 1 11 11 ILE CG2 C 13 22.217 0.2 . 1 . . . . 560 ILE CG2 . 11053 1 112 . 1 1 11 11 ILE CD1 C 13 19.667 0.2 . 1 . . . . 560 ILE CD1 . 11053 1 113 . 1 1 11 11 ILE N N 15 120.166 0.2 . 1 . . . . 560 ILE N . 11053 1 114 . 1 1 12 12 THR H H 1 6.806 0.02 . 1 . . . . 561 THR H . 11053 1 115 . 1 1 12 12 THR HA H 1 4.596 0.02 . 1 . . . . 561 THR HA . 11053 1 116 . 1 1 12 12 THR HB H 1 3.956 0.02 . 1 . . . . 561 THR HB . 11053 1 117 . 1 1 12 12 THR HG21 H 1 0.906 0.02 . 1 . . . . 561 THR MG . 11053 1 118 . 1 1 12 12 THR HG22 H 1 0.906 0.02 . 1 . . . . 561 THR MG . 11053 1 119 . 1 1 12 12 THR HG23 H 1 0.906 0.02 . 1 . . . . 561 THR MG . 11053 1 120 . 1 1 12 12 THR CA C 13 59.927 0.2 . 1 . . . . 561 THR CA . 11053 1 121 . 1 1 12 12 THR CB C 13 71.517 0.2 . 1 . . . . 561 THR CB . 11053 1 122 . 1 1 12 12 THR CG2 C 13 22.147 0.2 . 1 . . . . 561 THR CG2 . 11053 1 123 . 1 1 12 12 THR N N 15 118.686 0.2 . 1 . . . . 561 THR N . 11053 1 124 . 1 1 13 13 TRP H H 1 8.066 0.02 . 1 . . . . 562 TRP H . 11053 1 125 . 1 1 13 13 TRP HA H 1 4.146 0.02 . 1 . . . . 562 TRP HA . 11053 1 126 . 1 1 13 13 TRP HB2 H 1 2.816 0.02 . 2 . . . . 562 TRP HB2 . 11053 1 127 . 1 1 13 13 TRP HB3 H 1 2.816 0.02 . 2 . . . . 562 TRP HB3 . 11053 1 128 . 1 1 13 13 TRP CA C 13 56.157 0.2 . 1 . . . . 562 TRP CA . 11053 1 129 . 1 1 13 13 TRP CB C 13 30.827 0.2 . 1 . . . . 562 TRP CB . 11053 1 130 . 1 1 13 13 TRP N N 15 120.816 0.2 . 1 . . . . 562 TRP N . 11053 1 131 . 1 1 14 14 GLU H H 1 8.816 0.02 . 1 . . . . 563 GLU H . 11053 1 132 . 1 1 14 14 GLU HA H 1 4.486 0.02 . 1 . . . . 563 GLU HA . 11053 1 133 . 1 1 14 14 GLU HB2 H 1 1.716 0.02 . 2 . . . . 563 GLU HB2 . 11053 1 134 . 1 1 14 14 GLU HB3 H 1 1.796 0.02 . 2 . . . . 563 GLU HB3 . 11053 1 135 . 1 1 14 14 GLU HG2 H 1 1.926 0.02 . 2 . . . . 563 GLU HG2 . 11053 1 136 . 1 1 14 14 GLU HG3 H 1 1.996 0.02 . 2 . . . . 563 GLU HG3 . 11053 1 137 . 1 1 14 14 GLU CA C 13 54.447 0.2 . 1 . . . . 563 GLU CA . 11053 1 138 . 1 1 14 14 GLU CB C 13 31.897 0.2 . 1 . . . . 563 GLU CB . 11053 1 139 . 1 1 14 14 GLU CG C 13 35.027 0.2 . 1 . . . . 563 GLU CG . 11053 1 140 . 1 1 14 14 GLU N N 15 129.246 0.2 . 1 . . . . 563 GLU N . 11053 1 141 . 1 1 15 15 SER H H 1 8.876 0.02 . 1 . . . . 564 SER H . 11053 1 142 . 1 1 15 15 SER HA H 1 4.176 0.02 . 1 . . . . 564 SER HA . 11053 1 143 . 1 1 15 15 SER HB2 H 1 3.866 0.02 . 2 . . . . 564 SER HB2 . 11053 1 144 . 1 1 15 15 SER HB3 H 1 3.866 0.02 . 2 . . . . 564 SER HB3 . 11053 1 145 . 1 1 15 15 SER CA C 13 60.857 0.2 . 1 . . . . 564 SER CA . 11053 1 146 . 1 1 15 15 SER CB C 13 63.317 0.2 . 1 . . . . 564 SER CB . 11053 1 147 . 1 1 15 15 SER N N 15 121.076 0.2 . 1 . . . . 564 SER N . 11053 1 148 . 1 1 16 16 ASP H H 1 8.376 0.02 . 1 . . . . 565 ASP H . 11053 1 149 . 1 1 16 16 ASP HA H 1 4.556 0.02 . 1 . . . . 565 ASP HA . 11053 1 150 . 1 1 16 16 ASP HB2 H 1 2.576 0.02 . 2 . . . . 565 ASP HB2 . 11053 1 151 . 1 1 16 16 ASP HB3 H 1 2.576 0.02 . 2 . . . . 565 ASP HB3 . 11053 1 152 . 1 1 16 16 ASP CA C 13 53.437 0.2 . 1 . . . . 565 ASP CA . 11053 1 153 . 1 1 16 16 ASP CB C 13 39.947 0.2 . 1 . . . . 565 ASP CB . 11053 1 154 . 1 1 16 16 ASP N N 15 119.496 0.2 . 1 . . . . 565 ASP N . 11053 1 155 . 1 1 17 17 ALA H H 1 6.836 0.02 . 1 . . . . 566 ALA H . 11053 1 156 . 1 1 17 17 ALA HA H 1 3.946 0.02 . 1 . . . . 566 ALA HA . 11053 1 157 . 1 1 17 17 ALA HB1 H 1 0.816 0.02 . 1 . . . . 566 ALA MB . 11053 1 158 . 1 1 17 17 ALA HB2 H 1 0.816 0.02 . 1 . . . . 566 ALA MB . 11053 1 159 . 1 1 17 17 ALA HB3 H 1 0.816 0.02 . 1 . . . . 566 ALA MB . 11053 1 160 . 1 1 17 17 ALA CA C 13 52.397 0.2 . 1 . . . . 566 ALA CA . 11053 1 161 . 1 1 17 17 ALA CB C 13 19.907 0.2 . 1 . . . . 566 ALA CB . 11053 1 162 . 1 1 17 17 ALA N N 15 122.086 0.2 . 1 . . . . 566 ALA N . 11053 1 163 . 1 1 18 18 GLU H H 1 8.146 0.02 . 1 . . . . 567 GLU H . 11053 1 164 . 1 1 18 18 GLU HA H 1 3.976 0.02 . 1 . . . . 567 GLU HA . 11053 1 165 . 1 1 18 18 GLU HB2 H 1 1.756 0.02 . 2 . . . . 567 GLU HB2 . 11053 1 166 . 1 1 18 18 GLU HB3 H 1 1.896 0.02 . 2 . . . . 567 GLU HB3 . 11053 1 167 . 1 1 18 18 GLU HG2 H 1 2.056 0.02 . 2 . . . . 567 GLU HG2 . 11053 1 168 . 1 1 18 18 GLU HG3 H 1 2.196 0.02 . 2 . . . . 567 GLU HG3 . 11053 1 169 . 1 1 18 18 GLU CA C 13 56.557 0.2 . 1 . . . . 567 GLU CA . 11053 1 170 . 1 1 18 18 GLU CB C 13 30.067 0.2 . 1 . . . . 567 GLU CB . 11053 1 171 . 1 1 18 18 GLU CG C 13 36.397 0.2 . 1 . . . . 567 GLU CG . 11053 1 172 . 1 1 18 18 GLU N N 15 122.236 0.2 . 1 . . . . 567 GLU N . 11053 1 173 . 1 1 19 19 ILE H H 1 8.176 0.02 . 1 . . . . 568 ILE H . 11053 1 174 . 1 1 19 19 ILE HA H 1 4.816 0.02 . 1 . . . . 568 ILE HA . 11053 1 175 . 1 1 19 19 ILE HB H 1 1.546 0.02 . 4 . . . . 568 ILE HB . 11053 1 176 . 1 1 19 19 ILE HG12 H 1 1.486 0.02 . 4 . . . . 568 ILE HG12 . 11053 1 177 . 1 1 19 19 ILE HG13 H 1 1.486 0.02 . 4 . . . . 568 ILE HG13 . 11053 1 178 . 1 1 19 19 ILE HG21 H 1 0.806 0.02 . 1 . . . . 568 ILE MG . 11053 1 179 . 1 1 19 19 ILE HG22 H 1 0.806 0.02 . 1 . . . . 568 ILE MG . 11053 1 180 . 1 1 19 19 ILE HG23 H 1 0.806 0.02 . 1 . . . . 568 ILE MG . 11053 1 181 . 1 1 19 19 ILE HD11 H 1 0.776 0.02 . 1 . . . . 568 ILE MD . 11053 1 182 . 1 1 19 19 ILE HD12 H 1 0.776 0.02 . 1 . . . . 568 ILE MD . 11053 1 183 . 1 1 19 19 ILE HD13 H 1 0.776 0.02 . 1 . . . . 568 ILE MD . 11053 1 184 . 1 1 19 19 ILE CA C 13 60.087 0.2 . 1 . . . . 568 ILE CA . 11053 1 185 . 1 1 19 19 ILE CB C 13 39.037 0.2 . 1 . . . . 568 ILE CB . 11053 1 186 . 1 1 19 19 ILE CG1 C 13 28.317 0.2 . 1 . . . . 568 ILE CG1 . 11053 1 187 . 1 1 19 19 ILE CG2 C 13 21.157 0.2 . 1 . . . . 568 ILE CG2 . 11053 1 188 . 1 1 19 19 ILE CD1 C 13 17.917 0.2 . 1 . . . . 568 ILE CD1 . 11053 1 189 . 1 1 19 19 ILE N N 15 124.806 0.2 . 1 . . . . 568 ILE N . 11053 1 190 . 1 1 20 20 THR H H 1 8.776 0.02 . 1 . . . . 569 THR H . 11053 1 191 . 1 1 20 20 THR HA H 1 4.806 0.02 . 1 . . . . 569 THR HA . 11053 1 192 . 1 1 20 20 THR HB H 1 3.866 0.02 . 1 . . . . 569 THR HB . 11053 1 193 . 1 1 20 20 THR HG21 H 1 0.906 0.02 . 1 . . . . 569 THR MG . 11053 1 194 . 1 1 20 20 THR HG22 H 1 0.906 0.02 . 1 . . . . 569 THR MG . 11053 1 195 . 1 1 20 20 THR HG23 H 1 0.906 0.02 . 1 . . . . 569 THR MG . 11053 1 196 . 1 1 20 20 THR CA C 13 60.537 0.2 . 1 . . . . 569 THR CA . 11053 1 197 . 1 1 20 20 THR CB C 13 70.227 0.2 . 1 . . . . 569 THR CB . 11053 1 198 . 1 1 20 20 THR CG2 C 13 20.587 0.2 . 1 . . . . 569 THR CG2 . 11053 1 199 . 1 1 20 20 THR N N 15 122.486 0.2 . 1 . . . . 569 THR N . 11053 1 200 . 1 1 21 21 GLY H H 1 8.216 0.02 . 1 . . . . 570 GLY H . 11053 1 201 . 1 1 21 21 GLY HA2 H 1 3.886 0.02 . 2 . . . . 570 GLY HA2 . 11053 1 202 . 1 1 21 21 GLY HA3 H 1 4.076 0.02 . 2 . . . . 570 GLY HA3 . 11053 1 203 . 1 1 21 21 GLY CA C 13 44.597 0.2 . 1 . . . . 570 GLY CA . 11053 1 204 . 1 1 21 21 GLY N N 15 111.166 0.2 . 1 . . . . 570 GLY N . 11053 1 205 . 1 1 22 22 SER H H 1 7.766 0.02 . 1 . . . . 571 SER H . 11053 1 206 . 1 1 22 22 SER HA H 1 4.346 0.02 . 1 . . . . 571 SER HA . 11053 1 207 . 1 1 22 22 SER HB2 H 1 3.696 0.02 . 2 . . . . 571 SER HB2 . 11053 1 208 . 1 1 22 22 SER HB3 H 1 3.696 0.02 . 2 . . . . 571 SER HB3 . 11053 1 209 . 1 1 22 22 SER CA C 13 57.607 0.2 . 1 . . . . 571 SER CA . 11053 1 210 . 1 1 22 22 SER CB C 13 64.867 0.2 . 1 . . . . 571 SER CB . 11053 1 211 . 1 1 22 22 SER N N 15 113.546 0.2 . 1 . . . . 571 SER N . 11053 1 212 . 1 1 23 23 SER H H 1 8.456 0.02 . 1 . . . . 572 SER H . 11053 1 213 . 1 1 23 23 SER HA H 1 4.546 0.02 . 1 . . . . 572 SER HA . 11053 1 214 . 1 1 23 23 SER HB2 H 1 3.556 0.02 . 2 . . . . 572 SER HB2 . 11053 1 215 . 1 1 23 23 SER HB3 H 1 3.556 0.02 . 2 . . . . 572 SER HB3 . 11053 1 216 . 1 1 23 23 SER CA C 13 56.687 0.2 . 1 . . . . 572 SER CA . 11053 1 217 . 1 1 23 23 SER CB C 13 62.967 0.2 . 1 . . . . 572 SER CB . 11053 1 218 . 1 1 23 23 SER N N 15 117.536 0.2 . 1 . . . . 572 SER N . 11053 1 219 . 1 1 24 24 GLU H H 1 7.866 0.02 . 1 . . . . 573 GLU H . 11053 1 220 . 1 1 24 24 GLU HA H 1 4.376 0.02 . 1 . . . . 573 GLU HA . 11053 1 221 . 1 1 24 24 GLU HB2 H 1 1.816 0.02 . 4 . . . . 573 GLU HB2 . 11053 1 222 . 1 1 24 24 GLU HB3 H 1 1.816 0.02 . 4 . . . . 573 GLU HB3 . 11053 1 223 . 1 1 24 24 GLU HG2 H 1 1.816 0.02 . 4 . . . . 573 GLU HG2 . 11053 1 224 . 1 1 24 24 GLU HG3 H 1 2.016 0.02 . 4 . . . . 573 GLU HG3 . 11053 1 225 . 1 1 24 24 GLU CA C 13 55.247 0.2 . 1 . . . . 573 GLU CA . 11053 1 226 . 1 1 24 24 GLU CB C 13 32.897 0.2 . 1 . . . . 573 GLU CB . 11053 1 227 . 1 1 24 24 GLU CG C 13 35.647 0.2 . 1 . . . . 573 GLU CG . 11053 1 228 . 1 1 24 24 GLU N N 15 124.826 0.2 . 1 . . . . 573 GLU N . 11053 1 229 . 1 1 25 25 ARG H H 1 8.456 0.02 . 1 . . . . 574 ARG H . 11053 1 230 . 1 1 25 25 ARG HA H 1 5.286 0.02 . 1 . . . . 574 ARG HA . 11053 1 231 . 1 1 25 25 ARG HB2 H 1 1.496 0.02 . 2 . . . . 574 ARG HB2 . 11053 1 232 . 1 1 25 25 ARG HB3 H 1 1.616 0.02 . 2 . . . . 574 ARG HB3 . 11053 1 233 . 1 1 25 25 ARG HG2 H 1 1.356 0.02 . 2 . . . . 574 ARG HG2 . 11053 1 234 . 1 1 25 25 ARG HG3 H 1 1.356 0.02 . 2 . . . . 574 ARG HG3 . 11053 1 235 . 1 1 25 25 ARG HD2 H 1 3.046 0.02 . 2 . . . . 574 ARG HD2 . 11053 1 236 . 1 1 25 25 ARG HD3 H 1 3.046 0.02 . 2 . . . . 574 ARG HD3 . 11053 1 237 . 1 1 25 25 ARG CA C 13 55.247 0.2 . 1 . . . . 574 ARG CA . 11053 1 238 . 1 1 25 25 ARG CB C 13 31.827 0.2 . 1 . . . . 574 ARG CB . 11053 1 239 . 1 1 25 25 ARG CG C 13 27.777 0.2 . 1 . . . . 574 ARG CG . 11053 1 240 . 1 1 25 25 ARG CD C 13 43.497 0.2 . 1 . . . . 574 ARG CD . 11053 1 241 . 1 1 25 25 ARG N N 15 121.426 0.2 . 1 . . . . 574 ARG N . 11053 1 242 . 1 1 26 26 VAL H H 1 8.536 0.02 . 1 . . . . 575 VAL H . 11053 1 243 . 1 1 26 26 VAL HA H 1 4.316 0.02 . 1 . . . . 575 VAL HA . 11053 1 244 . 1 1 26 26 VAL HB H 1 1.806 0.02 . 1 . . . . 575 VAL HB . 11053 1 245 . 1 1 26 26 VAL HG11 H 1 0.856 0.02 . 2 . . . . 575 VAL MG1 . 11053 1 246 . 1 1 26 26 VAL HG12 H 1 0.856 0.02 . 2 . . . . 575 VAL MG1 . 11053 1 247 . 1 1 26 26 VAL HG13 H 1 0.856 0.02 . 2 . . . . 575 VAL MG1 . 11053 1 248 . 1 1 26 26 VAL HG21 H 1 0.686 0.02 . 2 . . . . 575 VAL MG2 . 11053 1 249 . 1 1 26 26 VAL HG22 H 1 0.686 0.02 . 2 . . . . 575 VAL MG2 . 11053 1 250 . 1 1 26 26 VAL HG23 H 1 0.686 0.02 . 2 . . . . 575 VAL MG2 . 11053 1 251 . 1 1 26 26 VAL CA C 13 60.757 0.2 . 1 . . . . 575 VAL CA . 11053 1 252 . 1 1 26 26 VAL CB C 13 35.967 0.2 . 1 . . . . 575 VAL CB . 11053 1 253 . 1 1 26 26 VAL CG1 C 13 21.757 0.2 . 2 . . . . 575 VAL CG1 . 11053 1 254 . 1 1 26 26 VAL CG2 C 13 20.737 0.2 . 2 . . . . 575 VAL CG2 . 11053 1 255 . 1 1 26 26 VAL N N 15 124.196 0.2 . 1 . . . . 575 VAL N . 11053 1 256 . 1 1 27 27 ASP H H 1 8.386 0.02 . 1 . . . . 576 ASP H . 11053 1 257 . 1 1 27 27 ASP HA H 1 5.276 0.02 . 1 . . . . 576 ASP HA . 11053 1 258 . 1 1 27 27 ASP HB2 H 1 2.446 0.02 . 2 . . . . 576 ASP HB2 . 11053 1 259 . 1 1 27 27 ASP HB3 H 1 2.526 0.02 . 2 . . . . 576 ASP HB3 . 11053 1 260 . 1 1 27 27 ASP CA C 13 54.207 0.2 . 1 . . . . 576 ASP CA . 11053 1 261 . 1 1 27 27 ASP CB C 13 41.517 0.2 . 1 . . . . 576 ASP CB . 11053 1 262 . 1 1 27 27 ASP N N 15 127.796 0.2 . 1 . . . . 576 ASP N . 11053 1 263 . 1 1 28 28 VAL H H 1 8.126 0.02 . 1 . . . . 577 VAL H . 11053 1 264 . 1 1 28 28 VAL HA H 1 4.286 0.02 . 1 . . . . 577 VAL HA . 11053 1 265 . 1 1 28 28 VAL HB H 1 1.566 0.02 . 1 . . . . 577 VAL HB . 11053 1 266 . 1 1 28 28 VAL HG11 H 1 0.696 0.02 . 2 . . . . 577 VAL MG1 . 11053 1 267 . 1 1 28 28 VAL HG12 H 1 0.696 0.02 . 2 . . . . 577 VAL MG1 . 11053 1 268 . 1 1 28 28 VAL HG13 H 1 0.696 0.02 . 2 . . . . 577 VAL MG1 . 11053 1 269 . 1 1 28 28 VAL HG21 H 1 -0.054 0.02 . 2 . . . . 577 VAL MG2 . 11053 1 270 . 1 1 28 28 VAL HG22 H 1 -0.054 0.02 . 2 . . . . 577 VAL MG2 . 11053 1 271 . 1 1 28 28 VAL HG23 H 1 -0.054 0.02 . 2 . . . . 577 VAL MG2 . 11053 1 272 . 1 1 28 28 VAL CA C 13 58.747 0.2 . 1 . . . . 577 VAL CA . 11053 1 273 . 1 1 28 28 VAL CB C 13 36.177 0.2 . 1 . . . . 577 VAL CB . 11053 1 274 . 1 1 28 28 VAL CG1 C 13 22.817 0.2 . 2 . . . . 577 VAL CG1 . 11053 1 275 . 1 1 28 28 VAL CG2 C 13 19.667 0.2 . 2 . . . . 577 VAL CG2 . 11053 1 276 . 1 1 28 28 VAL N N 15 116.876 0.2 . 1 . . . . 577 VAL N . 11053 1 277 . 1 1 29 29 ARG H H 1 8.496 0.02 . 1 . . . . 578 ARG H . 11053 1 278 . 1 1 29 29 ARG HA H 1 4.286 0.02 . 1 . . . . 578 ARG HA . 11053 1 279 . 1 1 29 29 ARG HB2 H 1 1.506 0.02 . 4 . . . . 578 ARG HB2 . 11053 1 280 . 1 1 29 29 ARG HB3 H 1 1.506 0.02 . 4 . . . . 578 ARG HB3 . 11053 1 281 . 1 1 29 29 ARG HG2 H 1 1.176 0.02 . 4 . . . . 578 ARG HG2 . 11053 1 282 . 1 1 29 29 ARG HG3 H 1 1.446 0.02 . 4 . . . . 578 ARG HG3 . 11053 1 283 . 1 1 29 29 ARG HD2 H 1 2.636 0.02 . 2 . . . . 578 ARG HD2 . 11053 1 284 . 1 1 29 29 ARG HD3 H 1 2.636 0.02 . 2 . . . . 578 ARG HD3 . 11053 1 285 . 1 1 29 29 ARG CA C 13 54.327 0.2 . 1 . . . . 578 ARG CA . 11053 1 286 . 1 1 29 29 ARG CB C 13 33.537 0.2 . 1 . . . . 578 ARG CB . 11053 1 287 . 1 1 29 29 ARG CG C 13 26.937 0.2 . 1 . . . . 578 ARG CG . 11053 1 288 . 1 1 29 29 ARG CD C 13 43.317 0.2 . 1 . . . . 578 ARG CD . 11053 1 289 . 1 1 29 29 ARG N N 15 115.316 0.2 . 1 . . . . 578 ARG N . 11053 1 290 . 1 1 30 30 LEU H H 1 8.916 0.02 . 1 . . . . 579 LEU H . 11053 1 291 . 1 1 30 30 LEU HA H 1 4.276 0.02 . 1 . . . . 579 LEU HA . 11053 1 292 . 1 1 30 30 LEU HB2 H 1 0.846 0.02 . 2 . . . . 579 LEU HB2 . 11053 1 293 . 1 1 30 30 LEU HB3 H 1 1.516 0.02 . 2 . . . . 579 LEU HB3 . 11053 1 294 . 1 1 30 30 LEU HG H 1 1.146 0.02 . 1 . . . . 579 LEU HG . 11053 1 295 . 1 1 30 30 LEU HD11 H 1 -0.244 0.02 . 2 . . . . 579 LEU MD1 . 11053 1 296 . 1 1 30 30 LEU HD12 H 1 -0.244 0.02 . 2 . . . . 579 LEU MD1 . 11053 1 297 . 1 1 30 30 LEU HD13 H 1 -0.244 0.02 . 2 . . . . 579 LEU MD1 . 11053 1 298 . 1 1 30 30 LEU HD21 H 1 0.316 0.02 . 2 . . . . 579 LEU MD2 . 11053 1 299 . 1 1 30 30 LEU HD22 H 1 0.316 0.02 . 2 . . . . 579 LEU MD2 . 11053 1 300 . 1 1 30 30 LEU HD23 H 1 0.316 0.02 . 2 . . . . 579 LEU MD2 . 11053 1 301 . 1 1 30 30 LEU CA C 13 54.137 0.2 . 1 . . . . 579 LEU CA . 11053 1 302 . 1 1 30 30 LEU CB C 13 43.857 0.2 . 1 . . . . 579 LEU CB . 11053 1 303 . 1 1 30 30 LEU CG C 13 29.247 0.2 . 1 . . . . 579 LEU CG . 11053 1 304 . 1 1 30 30 LEU CD1 C 13 20.677 0.2 . 2 . . . . 579 LEU CD1 . 11053 1 305 . 1 1 30 30 LEU CD2 C 13 24.957 0.2 . 2 . . . . 579 LEU CD2 . 11053 1 306 . 1 1 30 30 LEU N N 15 126.486 0.2 . 1 . . . . 579 LEU N . 11053 1 307 . 1 1 31 31 ASP H H 1 8.476 0.02 . 1 . . . . 580 ASP H . 11053 1 308 . 1 1 31 31 ASP HA H 1 4.526 0.02 . 1 . . . . 580 ASP HA . 11053 1 309 . 1 1 31 31 ASP HB2 H 1 2.506 0.02 . 2 . . . . 580 ASP HB2 . 11053 1 310 . 1 1 31 31 ASP HB3 H 1 3.186 0.02 . 2 . . . . 580 ASP HB3 . 11053 1 311 . 1 1 31 31 ASP CA C 13 52.827 0.2 . 1 . . . . 580 ASP CA . 11053 1 312 . 1 1 31 31 ASP CB C 13 41.687 0.2 . 1 . . . . 580 ASP CB . 11053 1 313 . 1 1 31 31 ASP N N 15 127.406 0.2 . 1 . . . . 580 ASP N . 11053 1 314 . 1 1 32 32 ASP H H 1 8.016 0.02 . 1 . . . . 581 ASP H . 11053 1 315 . 1 1 32 32 ASP HA H 1 4.116 0.02 . 1 . . . . 581 ASP HA . 11053 1 316 . 1 1 32 32 ASP HB2 H 1 2.356 0.02 . 2 . . . . 581 ASP HB2 . 11053 1 317 . 1 1 32 32 ASP HB3 H 1 2.516 0.02 . 2 . . . . 581 ASP HB3 . 11053 1 318 . 1 1 32 32 ASP CA C 13 56.517 0.2 . 1 . . . . 581 ASP CA . 11053 1 319 . 1 1 32 32 ASP CB C 13 40.717 0.2 . 1 . . . . 581 ASP CB . 11053 1 320 . 1 1 32 32 ASP N N 15 115.366 0.2 . 1 . . . . 581 ASP N . 11053 1 321 . 1 1 33 33 ASP H H 1 8.026 0.02 . 1 . . . . 582 ASP H . 11053 1 322 . 1 1 33 33 ASP HA H 1 4.426 0.02 . 1 . . . . 582 ASP HA . 11053 1 323 . 1 1 33 33 ASP HB2 H 1 2.486 0.02 . 2 . . . . 582 ASP HB2 . 11053 1 324 . 1 1 33 33 ASP HB3 H 1 2.626 0.02 . 2 . . . . 582 ASP HB3 . 11053 1 325 . 1 1 33 33 ASP CA C 13 53.677 0.2 . 1 . . . . 582 ASP CA . 11053 1 326 . 1 1 33 33 ASP CB C 13 41.917 0.2 . 1 . . . . 582 ASP CB . 11053 1 327 . 1 1 33 33 ASP N N 15 117.536 0.2 . 1 . . . . 582 ASP N . 11053 1 328 . 1 1 34 34 GLY H H 1 7.786 0.02 . 1 . . . . 583 GLY H . 11053 1 329 . 1 1 34 34 GLY HA2 H 1 4.006 0.02 . 2 . . . . 583 GLY HA2 . 11053 1 330 . 1 1 34 34 GLY HA3 H 1 4.166 0.02 . 2 . . . . 583 GLY HA3 . 11053 1 331 . 1 1 34 34 GLY CA C 13 46.757 0.2 . 1 . . . . 583 GLY CA . 11053 1 332 . 1 1 34 34 GLY N N 15 108.516 0.2 . 1 . . . . 583 GLY N . 11053 1 333 . 1 1 35 35 ASN H H 1 8.006 0.02 . 1 . . . . 584 ASN H . 11053 1 334 . 1 1 35 35 ASN HA H 1 4.886 0.02 . 1 . . . . 584 ASN HA . 11053 1 335 . 1 1 35 35 ASN HB2 H 1 2.336 0.02 . 2 . . . . 584 ASN HB2 . 11053 1 336 . 1 1 35 35 ASN HB3 H 1 2.906 0.02 . 2 . . . . 584 ASN HB3 . 11053 1 337 . 1 1 35 35 ASN CA C 13 51.577 0.2 . 1 . . . . 584 ASN CA . 11053 1 338 . 1 1 35 35 ASN CB C 13 39.567 0.2 . 1 . . . . 584 ASN CB . 11053 1 339 . 1 1 35 35 ASN N N 15 116.686 0.2 . 1 . . . . 584 ASN N . 11053 1 340 . 1 1 36 36 PHE H H 1 9.546 0.02 . 1 . . . . 585 PHE H . 11053 1 341 . 1 1 36 36 PHE HA H 1 4.876 0.02 . 1 . . . . 585 PHE HA . 11053 1 342 . 1 1 36 36 PHE HB2 H 1 2.896 0.02 . 2 . . . . 585 PHE HB2 . 11053 1 343 . 1 1 36 36 PHE HB3 H 1 2.896 0.02 . 2 . . . . 585 PHE HB3 . 11053 1 344 . 1 1 36 36 PHE CA C 13 59.057 0.2 . 1 . . . . 585 PHE CA . 11053 1 345 . 1 1 36 36 PHE CB C 13 42.247 0.2 . 1 . . . . 585 PHE CB . 11053 1 346 . 1 1 36 36 PHE N N 15 123.726 0.2 . 1 . . . . 585 PHE N . 11053 1 347 . 1 1 37 37 GLN H H 1 8.886 0.02 . 1 . . . . 586 GLN H . 11053 1 348 . 1 1 37 37 GLN HA H 1 4.566 0.02 . 1 . . . . 586 GLN HA . 11053 1 349 . 1 1 37 37 GLN HB2 H 1 1.526 0.02 . 2 . . . . 586 GLN HB2 . 11053 1 350 . 1 1 37 37 GLN HB3 H 1 1.966 0.02 . 2 . . . . 586 GLN HB3 . 11053 1 351 . 1 1 37 37 GLN HG2 H 1 2.196 0.02 . 2 . . . . 586 GLN HG2 . 11053 1 352 . 1 1 37 37 GLN HG3 H 1 2.486 0.02 . 2 . . . . 586 GLN HG3 . 11053 1 353 . 1 1 37 37 GLN CA C 13 53.257 0.2 . 1 . . . . 586 GLN CA . 11053 1 354 . 1 1 37 37 GLN CB C 13 31.367 0.2 . 1 . . . . 586 GLN CB . 11053 1 355 . 1 1 37 37 GLN N N 15 117.836 0.2 . 1 . . . . 586 GLN N . 11053 1 356 . 1 1 38 38 LEU H H 1 8.696 0.02 . 1 . . . . 587 LEU H . 11053 1 357 . 1 1 38 38 LEU HA H 1 4.136 0.02 . 1 . . . . 587 LEU HA . 11053 1 358 . 1 1 38 38 LEU HB2 H 1 1.496 0.02 . 2 . . . . 587 LEU HB2 . 11053 1 359 . 1 1 38 38 LEU HB3 H 1 1.496 0.02 . 2 . . . . 587 LEU HB3 . 11053 1 360 . 1 1 38 38 LEU HG H 1 1.416 0.02 . 1 . . . . 587 LEU HG . 11053 1 361 . 1 1 38 38 LEU HD11 H 1 0.716 0.02 . 2 . . . . 587 LEU MD1 . 11053 1 362 . 1 1 38 38 LEU HD12 H 1 0.716 0.02 . 2 . . . . 587 LEU MD1 . 11053 1 363 . 1 1 38 38 LEU HD13 H 1 0.716 0.02 . 2 . . . . 587 LEU MD1 . 11053 1 364 . 1 1 38 38 LEU HD21 H 1 0.866 0.02 . 2 . . . . 587 LEU MD2 . 11053 1 365 . 1 1 38 38 LEU HD22 H 1 0.866 0.02 . 2 . . . . 587 LEU MD2 . 11053 1 366 . 1 1 38 38 LEU HD23 H 1 0.866 0.02 . 2 . . . . 587 LEU MD2 . 11053 1 367 . 1 1 38 38 LEU CA C 13 55.847 0.2 . 1 . . . . 587 LEU CA . 11053 1 368 . 1 1 38 38 LEU CB C 13 42.277 0.2 . 1 . . . . 587 LEU CB . 11053 1 369 . 1 1 38 38 LEU CG C 13 27.057 0.2 . 1 . . . . 587 LEU CG . 11053 1 370 . 1 1 38 38 LEU CD1 C 13 24.137 0.2 . 2 . . . . 587 LEU CD1 . 11053 1 371 . 1 1 38 38 LEU CD2 C 13 25.477 0.2 . 2 . . . . 587 LEU CD2 . 11053 1 372 . 1 1 38 38 LEU N N 15 123.086 0.2 . 1 . . . . 587 LEU N . 11053 1 373 . 1 1 39 39 MET H H 1 7.996 0.02 . 1 . . . . 588 MET H . 11053 1 374 . 1 1 39 39 MET HA H 1 4.266 0.02 . 1 . . . . 588 MET HA . 11053 1 375 . 1 1 39 39 MET HB2 H 1 1.876 0.02 . 2 . . . . 588 MET HB2 . 11053 1 376 . 1 1 39 39 MET HB3 H 1 1.876 0.02 . 2 . . . . 588 MET HB3 . 11053 1 377 . 1 1 39 39 MET HG2 H 1 2.136 0.02 . 2 . . . . 588 MET HG2 . 11053 1 378 . 1 1 39 39 MET HG3 H 1 2.276 0.02 . 2 . . . . 588 MET HG3 . 11053 1 379 . 1 1 39 39 MET CA C 13 55.087 0.2 . 1 . . . . 588 MET CA . 11053 1 380 . 1 1 39 39 MET CB C 13 32.817 0.2 . 1 . . . . 588 MET CB . 11053 1 381 . 1 1 39 39 MET N N 15 122.526 0.2 . 1 . . . . 588 MET N . 11053 1 382 . 1 1 40 40 ASN H H 1 8.156 0.02 . 1 . . . . 589 ASN H . 11053 1 383 . 1 1 40 40 ASN HA H 1 4.686 0.02 . 1 . . . . 589 ASN HA . 11053 1 384 . 1 1 40 40 ASN HB2 H 1 2.696 0.02 . 2 . . . . 589 ASN HB2 . 11053 1 385 . 1 1 40 40 ASN HB3 H 1 2.696 0.02 . 2 . . . . 589 ASN HB3 . 11053 1 386 . 1 1 40 40 ASN CA C 13 53.457 0.2 . 1 . . . . 589 ASN CA . 11053 1 387 . 1 1 40 40 ASN CB C 13 38.727 0.2 . 1 . . . . 589 ASN CB . 11053 1 388 . 1 1 40 40 ASN N N 15 118.736 0.2 . 1 . . . . 589 ASN N . 11053 1 389 . 1 1 41 41 ASP H H 1 8.316 0.02 . 1 . . . . 590 ASP H . 11053 1 390 . 1 1 41 41 ASP HA H 1 4.236 0.02 . 1 . . . . 590 ASP HA . 11053 1 391 . 1 1 41 41 ASP HB2 H 1 2.456 0.02 . 2 . . . . 590 ASP HB2 . 11053 1 392 . 1 1 41 41 ASP HB3 H 1 2.566 0.02 . 2 . . . . 590 ASP HB3 . 11053 1 393 . 1 1 41 41 ASP CA C 13 53.947 0.2 . 1 . . . . 590 ASP CA . 11053 1 394 . 1 1 41 41 ASP CB C 13 41.677 0.2 . 1 . . . . 590 ASP CB . 11053 1 395 . 1 1 41 41 ASP N N 15 121.636 0.2 . 1 . . . . 590 ASP N . 11053 1 396 . 1 1 43 43 GLY H H 1 8.406 0.02 . 1 . . . . 592 GLY H . 11053 1 397 . 1 1 43 43 GLY HA2 H 1 3.646 0.02 . 2 . . . . 592 GLY HA2 . 11053 1 398 . 1 1 43 43 GLY HA3 H 1 3.926 0.02 . 2 . . . . 592 GLY HA3 . 11053 1 399 . 1 1 43 43 GLY CA C 13 44.987 0.2 . 1 . . . . 592 GLY CA . 11053 1 400 . 1 1 43 43 GLY N N 15 107.626 0.2 . 1 . . . . 592 GLY N . 11053 1 401 . 1 1 44 44 ALA H H 1 7.586 0.02 . 1 . . . . 593 ALA H . 11053 1 402 . 1 1 44 44 ALA HA H 1 4.396 0.02 . 1 . . . . 593 ALA HA . 11053 1 403 . 1 1 44 44 ALA HB1 H 1 1.166 0.02 . 1 . . . . 593 ALA MB . 11053 1 404 . 1 1 44 44 ALA HB2 H 1 1.166 0.02 . 1 . . . . 593 ALA MB . 11053 1 405 . 1 1 44 44 ALA HB3 H 1 1.166 0.02 . 1 . . . . 593 ALA MB . 11053 1 406 . 1 1 44 44 ALA CA C 13 50.477 0.2 . 1 . . . . 593 ALA CA . 11053 1 407 . 1 1 44 44 ALA CB C 13 18.317 0.2 . 1 . . . . 593 ALA CB . 11053 1 408 . 1 1 44 44 ALA N N 15 124.636 0.2 . 1 . . . . 593 ALA N . 11053 1 409 . 1 1 46 46 TRP H H 1 8.356 0.02 . 1 . . . . 595 TRP H . 11053 1 410 . 1 1 46 46 TRP HA H 1 4.686 0.02 . 1 . . . . 595 TRP HA . 11053 1 411 . 1 1 46 46 TRP HB2 H 1 3.046 0.02 . 2 . . . . 595 TRP HB2 . 11053 1 412 . 1 1 46 46 TRP HB3 H 1 3.046 0.02 . 2 . . . . 595 TRP HB3 . 11053 1 413 . 1 1 46 46 TRP CA C 13 56.277 0.2 . 1 . . . . 595 TRP CA . 11053 1 414 . 1 1 46 46 TRP CB C 13 30.857 0.2 . 1 . . . . 595 TRP CB . 11053 1 415 . 1 1 46 46 TRP N N 15 121.916 0.2 . 1 . . . . 595 TRP N . 11053 1 416 . 1 1 47 47 ALA H H 1 8.016 0.02 . 1 . . . . 596 ALA H . 11053 1 417 . 1 1 47 47 ALA HA H 1 4.146 0.02 . 1 . . . . 596 ALA HA . 11053 1 418 . 1 1 47 47 ALA HB1 H 1 1.136 0.02 . 1 . . . . 596 ALA MB . 11053 1 419 . 1 1 47 47 ALA HB2 H 1 1.136 0.02 . 1 . . . . 596 ALA MB . 11053 1 420 . 1 1 47 47 ALA HB3 H 1 1.136 0.02 . 1 . . . . 596 ALA MB . 11053 1 421 . 1 1 47 47 ALA CA C 13 52.287 0.2 . 1 . . . . 596 ALA CA . 11053 1 422 . 1 1 47 47 ALA CB C 13 19.367 0.2 . 1 . . . . 596 ALA CB . 11053 1 423 . 1 1 47 47 ALA N N 15 127.648 0.2 . 1 . . . . 596 ALA N . 11053 1 424 . 1 1 73 73 ASP H H 1 7.406 0.02 . 1 . . . . 17 ASP H . 11053 1 425 . 1 1 73 73 ASP HA H 1 4.316 0.02 . 1 . . . . 17 ASP HA . 11053 1 426 . 1 1 73 73 ASP HB2 H 1 2.536 0.02 . 2 . . . . 17 ASP HB2 . 11053 1 427 . 1 1 73 73 ASP HB3 H 1 2.486 0.02 . 2 . . . . 17 ASP HB3 . 11053 1 428 . 1 1 73 73 ASP CA C 13 55.287 0.2 . 1 . . . . 17 ASP CA . 11053 1 429 . 1 1 73 73 ASP CB C 13 41.527 0.2 . 1 . . . . 17 ASP CB . 11053 1 430 . 1 1 73 73 ASP N N 15 119.706 0.2 . 1 . . . . 17 ASP N . 11053 1 431 . 1 1 74 74 THR H H 1 8.336 0.02 . 1 . . . . 18 THR H . 11053 1 432 . 1 1 74 74 THR HA H 1 4.326 0.02 . 1 . . . . 18 THR HA . 11053 1 433 . 1 1 74 74 THR HB H 1 3.936 0.02 . 1 . . . . 18 THR HB . 11053 1 434 . 1 1 74 74 THR HG21 H 1 0.906 0.02 . 1 . . . . 18 THR MG . 11053 1 435 . 1 1 74 74 THR HG22 H 1 0.906 0.02 . 1 . . . . 18 THR MG . 11053 1 436 . 1 1 74 74 THR HG23 H 1 0.906 0.02 . 1 . . . . 18 THR MG . 11053 1 437 . 1 1 74 74 THR CA C 13 59.437 0.2 . 1 . . . . 18 THR CA . 11053 1 438 . 1 1 74 74 THR CB C 13 71.527 0.2 . 1 . . . . 18 THR CB . 11053 1 439 . 1 1 74 74 THR CG2 C 13 21.967 0.2 . 1 . . . . 18 THR CG2 . 11053 1 440 . 1 1 74 74 THR N N 15 114.046 0.2 . 1 . . . . 18 THR N . 11053 1 441 . 1 1 76 76 THR H H 1 8.796 0.02 . 1 . . . . 20 THR H . 11053 1 442 . 1 1 76 76 THR HA H 1 4.476 0.02 . 1 . . . . 20 THR HA . 11053 1 443 . 1 1 76 76 THR HB H 1 3.726 0.02 . 1 . . . . 20 THR HB . 11053 1 444 . 1 1 76 76 THR HG21 H 1 0.926 0.02 . 1 . . . . 20 THR MG . 11053 1 445 . 1 1 76 76 THR HG22 H 1 0.926 0.02 . 1 . . . . 20 THR MG . 11053 1 446 . 1 1 76 76 THR HG23 H 1 0.926 0.02 . 1 . . . . 20 THR MG . 11053 1 447 . 1 1 76 76 THR CA C 13 59.617 0.2 . 1 . . . . 20 THR CA . 11053 1 448 . 1 1 76 76 THR CB C 13 70.427 0.2 . 1 . . . . 20 THR CB . 11053 1 449 . 1 1 76 76 THR CG2 C 13 22.077 0.2 . 1 . . . . 20 THR CG2 . 11053 1 450 . 1 1 76 76 THR N N 15 126.036 0.2 . 1 . . . . 20 THR N . 11053 1 451 . 1 1 77 77 GLY H H 1 8.926 0.02 . 1 . . . . 21 GLY H . 11053 1 452 . 1 1 77 77 GLY HA2 H 1 4.706 0.02 . 2 . . . . 21 GLY HA2 . 11053 1 453 . 1 1 77 77 GLY HA3 H 1 4.576 0.02 . 2 . . . . 21 GLY HA3 . 11053 1 454 . 1 1 77 77 GLY CA C 13 45.047 0.2 . 1 . . . . 21 GLY CA . 11053 1 455 . 1 1 77 77 GLY N N 15 112.436 0.2 . 1 . . . . 21 GLY N . 11053 1 456 . 1 1 78 78 VAL H H 1 8.906 0.02 . 1 . . . . 22 VAL H . 11053 1 457 . 1 1 78 78 VAL HA H 1 4.506 0.02 . 1 . . . . 22 VAL HA . 11053 1 458 . 1 1 78 78 VAL HB H 1 1.776 0.02 . 1 . . . . 22 VAL HB . 11053 1 459 . 1 1 78 78 VAL HG11 H 1 0.876 0.02 . 2 . . . . 22 VAL MG1 . 11053 1 460 . 1 1 78 78 VAL HG12 H 1 0.876 0.02 . 2 . . . . 22 VAL MG1 . 11053 1 461 . 1 1 78 78 VAL HG13 H 1 0.876 0.02 . 2 . . . . 22 VAL MG1 . 11053 1 462 . 1 1 78 78 VAL HG21 H 1 0.766 0.02 . 2 . . . . 22 VAL MG2 . 11053 1 463 . 1 1 78 78 VAL HG22 H 1 0.766 0.02 . 2 . . . . 22 VAL MG2 . 11053 1 464 . 1 1 78 78 VAL HG23 H 1 0.766 0.02 . 2 . . . . 22 VAL MG2 . 11053 1 465 . 1 1 78 78 VAL CA C 13 62.477 0.2 . 1 . . . . 22 VAL CA . 11053 1 466 . 1 1 78 78 VAL CB C 13 32.897 0.2 . 1 . . . . 22 VAL CB . 11053 1 467 . 1 1 78 78 VAL CG1 C 13 21.347 0.2 . 2 . . . . 22 VAL CG1 . 11053 1 468 . 1 1 78 78 VAL CG2 C 13 22.167 0.2 . 2 . . . . 22 VAL CG2 . 11053 1 469 . 1 1 78 78 VAL N N 15 121.016 0.2 . 1 . . . . 22 VAL N . 11053 1 470 . 1 1 79 79 TYR H H 1 9.046 0.02 . 1 . . . . 23 TYR H . 11053 1 471 . 1 1 79 79 TYR HA H 1 5.226 0.02 . 1 . . . . 23 TYR HA . 11053 1 472 . 1 1 79 79 TYR HB2 H 1 2.686 0.02 . 2 . . . . 23 TYR HB2 . 11053 1 473 . 1 1 79 79 TYR HB3 H 1 2.546 0.02 . 2 . . . . 23 TYR HB3 . 11053 1 474 . 1 1 79 79 TYR CA C 13 56.987 0.2 . 1 . . . . 23 TYR CA . 11053 1 475 . 1 1 79 79 TYR CB C 13 42.947 0.2 . 1 . . . . 23 TYR CB . 11053 1 476 . 1 1 79 79 TYR N N 15 126.196 0.2 . 1 . . . . 23 TYR N . 11053 1 477 . 1 1 80 80 ARG H H 1 8.706 0.02 . 1 . . . . 24 ARG H . 11053 1 478 . 1 1 80 80 ARG HA H 1 4.856 0.02 . 1 . . . . 24 ARG HA . 11053 1 479 . 1 1 80 80 ARG HB2 H 1 1.666 0.02 . 2 . . . . 24 ARG HB2 . 11053 1 480 . 1 1 80 80 ARG HB3 H 1 1.666 0.02 . 2 . . . . 24 ARG HB3 . 11053 1 481 . 1 1 80 80 ARG HG2 H 1 1.336 0.02 . 2 . . . . 24 ARG HG2 . 11053 1 482 . 1 1 80 80 ARG HG3 H 1 1.336 0.02 . 2 . . . . 24 ARG HG3 . 11053 1 483 . 1 1 80 80 ARG HD2 H 1 3.146 0.02 . 2 . . . . 24 ARG HD2 . 11053 1 484 . 1 1 80 80 ARG HD3 H 1 3.146 0.02 . 2 . . . . 24 ARG HD3 . 11053 1 485 . 1 1 80 80 ARG CA C 13 55.367 0.2 . 1 . . . . 24 ARG CA . 11053 1 486 . 1 1 80 80 ARG CB C 13 31.067 0.2 . 1 . . . . 24 ARG CB . 11053 1 487 . 1 1 80 80 ARG CG C 13 27.757 0.2 . 1 . . . . 24 ARG CG . 11053 1 488 . 1 1 80 80 ARG CD C 13 43.467 0.2 . 1 . . . . 24 ARG CD . 11053 1 489 . 1 1 80 80 ARG N N 15 116.576 0.2 . 1 . . . . 24 ARG N . 11053 1 490 . 1 1 81 81 ILE H H 1 8.816 0.02 . 1 . . . . 25 ILE H . 11053 1 491 . 1 1 81 81 ILE HA H 1 4.816 0.02 . 1 . . . . 25 ILE HA . 11053 1 492 . 1 1 81 81 ILE HB H 1 1.686 0.02 . 1 . . . . 25 ILE HB . 11053 1 493 . 1 1 81 81 ILE HG12 H 1 1.106 0.02 . 2 . . . . 25 ILE HG12 . 11053 1 494 . 1 1 81 81 ILE HG13 H 1 1.106 0.02 . 2 . . . . 25 ILE HG13 . 11053 1 495 . 1 1 81 81 ILE HG21 H 1 0.656 0.02 . 1 . . . . 25 ILE MG . 11053 1 496 . 1 1 81 81 ILE HG22 H 1 0.656 0.02 . 1 . . . . 25 ILE MG . 11053 1 497 . 1 1 81 81 ILE HG23 H 1 0.656 0.02 . 1 . . . . 25 ILE MG . 11053 1 498 . 1 1 81 81 ILE HD11 H 1 0.396 0.02 . 1 . . . . 25 ILE MD . 11053 1 499 . 1 1 81 81 ILE HD12 H 1 0.396 0.02 . 1 . . . . 25 ILE MD . 11053 1 500 . 1 1 81 81 ILE HD13 H 1 0.396 0.02 . 1 . . . . 25 ILE MD . 11053 1 501 . 1 1 81 81 ILE CA C 13 61.017 0.2 . 1 . . . . 25 ILE CA . 11053 1 502 . 1 1 81 81 ILE CB C 13 38.947 0.2 . 1 . . . . 25 ILE CB . 11053 1 503 . 1 1 81 81 ILE CG1 C 13 26.857 0.2 . 1 . . . . 25 ILE CG1 . 11053 1 504 . 1 1 81 81 ILE CG2 C 13 22.187 0.2 . 1 . . . . 25 ILE CG2 . 11053 1 505 . 1 1 81 81 ILE CD1 C 13 18.017 0.2 . 1 . . . . 25 ILE CD1 . 11053 1 506 . 1 1 81 81 ILE N N 15 122.316 0.2 . 1 . . . . 25 ILE N . 11053 1 507 . 1 1 82 82 MET H H 1 8.816 0.02 . 1 . . . . 26 MET H . 11053 1 508 . 1 1 82 82 MET HA H 1 5.246 0.02 . 1 . . . . 26 MET HA . 11053 1 509 . 1 1 82 82 MET HB2 H 1 1.646 0.02 . 2 . . . . 26 MET HB2 . 11053 1 510 . 1 1 82 82 MET HB3 H 1 1.646 0.02 . 2 . . . . 26 MET HB3 . 11053 1 511 . 1 1 82 82 MET HG2 H 1 1.876 0.02 . 2 . . . . 26 MET HG2 . 11053 1 512 . 1 1 82 82 MET HG3 H 1 2.096 0.02 . 2 . . . . 26 MET HG3 . 11053 1 513 . 1 1 82 82 MET HE1 H 1 1.096 0.02 . 1 . . . . 26 MET ME . 11053 1 514 . 1 1 82 82 MET HE2 H 1 1.096 0.02 . 1 . . . . 26 MET ME . 11053 1 515 . 1 1 82 82 MET HE3 H 1 1.096 0.02 . 1 . . . . 26 MET ME . 11053 1 516 . 1 1 82 82 MET CA C 13 51.337 0.2 . 1 . . . . 26 MET CA . 11053 1 517 . 1 1 82 82 MET CB C 13 32.067 0.2 . 1 . . . . 26 MET CB . 11053 1 518 . 1 1 82 82 MET CG C 13 32.077 0.2 . 1 . . . . 26 MET CG . 11053 1 519 . 1 1 82 82 MET CE C 13 18.517 0.2 . 1 . . . . 26 MET CE . 11053 1 520 . 1 1 82 82 MET N N 15 126.426 0.2 . 1 . . . . 26 MET N . 11053 1 521 . 1 1 83 83 THR H H 1 7.956 0.02 . 1 . . . . 27 THR H . 11053 1 522 . 1 1 83 83 THR HA H 1 4.546 0.02 . 1 . . . . 27 THR HA . 11053 1 523 . 1 1 83 83 THR HB H 1 3.566 0.02 . 1 . . . . 27 THR HB . 11053 1 524 . 1 1 83 83 THR HG21 H 1 1.036 0.02 . 1 . . . . 27 THR MG . 11053 1 525 . 1 1 83 83 THR HG22 H 1 1.036 0.02 . 1 . . . . 27 THR MG . 11053 1 526 . 1 1 83 83 THR HG23 H 1 1.036 0.02 . 1 . . . . 27 THR MG . 11053 1 527 . 1 1 83 83 THR CA C 13 59.187 0.2 . 1 . . . . 27 THR CA . 11053 1 528 . 1 1 83 83 THR CB C 13 70.367 0.2 . 1 . . . . 27 THR CB . 11053 1 529 . 1 1 83 83 THR CG2 C 13 24.887 0.2 . 1 . . . . 27 THR CG2 . 11053 1 530 . 1 1 83 83 THR N N 15 111.886 0.2 . 1 . . . . 27 THR N . 11053 1 531 . 1 1 84 84 ARG H H 1 7.926 0.02 . 1 . . . . 28 ARG H . 11053 1 532 . 1 1 84 84 ARG HA H 1 5.296 0.02 . 1 . . . . 28 ARG HA . 11053 1 533 . 1 1 84 84 ARG HB2 H 1 1.916 0.02 . 2 . . . . 28 ARG HB2 . 11053 1 534 . 1 1 84 84 ARG HB3 H 1 1.916 0.02 . 2 . . . . 28 ARG HB3 . 11053 1 535 . 1 1 84 84 ARG HG2 H 1 1.706 0.02 . 2 . . . . 28 ARG HG2 . 11053 1 536 . 1 1 84 84 ARG HG3 H 1 1.706 0.02 . 2 . . . . 28 ARG HG3 . 11053 1 537 . 1 1 84 84 ARG HD2 H 1 3.126 0.02 . 2 . . . . 28 ARG HD2 . 11053 1 538 . 1 1 84 84 ARG HD3 H 1 3.126 0.02 . 2 . . . . 28 ARG HD3 . 11053 1 539 . 1 1 84 84 ARG CA C 13 56.037 0.2 . 1 . . . . 28 ARG CA . 11053 1 540 . 1 1 84 84 ARG CB C 13 32.867 0.2 . 1 . . . . 28 ARG CB . 11053 1 541 . 1 1 84 84 ARG CG C 13 30.897 0.2 . 1 . . . . 28 ARG CG . 11053 1 542 . 1 1 84 84 ARG CD C 13 43.337 0.2 . 1 . . . . 28 ARG CD . 11053 1 543 . 1 1 84 84 ARG N N 15 121.566 0.2 . 1 . . . . 28 ARG N . 11053 1 544 . 1 1 85 85 GLY H H 1 8.096 0.02 . 1 . . . . 29 GLY H . 11053 1 545 . 1 1 85 85 GLY HA2 H 1 4.726 0.02 . 2 . . . . 29 GLY HA2 . 11053 1 546 . 1 1 85 85 GLY HA3 H 1 4.586 0.02 . 2 . . . . 29 GLY HA3 . 11053 1 547 . 1 1 85 85 GLY CA C 13 44.437 0.2 . 1 . . . . 29 GLY CA . 11053 1 548 . 1 1 85 85 GLY N N 15 111.996 0.2 . 1 . . . . 29 GLY N . 11053 1 549 . 1 1 86 86 LEU H H 1 8.596 0.02 . 1 . . . . 30 LEU H . 11053 1 550 . 1 1 86 86 LEU HA H 1 4.676 0.02 . 1 . . . . 30 LEU HA . 11053 1 551 . 1 1 86 86 LEU HB2 H 1 1.586 0.02 . 4 . . . . 30 LEU HB2 . 11053 1 552 . 1 1 86 86 LEU HB3 H 1 1.486 0.02 . 4 . . . . 30 LEU HB3 . 11053 1 553 . 1 1 86 86 LEU HG H 1 1.556 0.02 . 4 . . . . 30 LEU HG . 11053 1 554 . 1 1 86 86 LEU HD11 H 1 0.816 0.02 . 2 . . . . 30 LEU MD1 . 11053 1 555 . 1 1 86 86 LEU HD12 H 1 0.816 0.02 . 2 . . . . 30 LEU MD1 . 11053 1 556 . 1 1 86 86 LEU HD13 H 1 0.816 0.02 . 2 . . . . 30 LEU MD1 . 11053 1 557 . 1 1 86 86 LEU HD21 H 1 0.816 0.02 . 2 . . . . 30 LEU MD2 . 11053 1 558 . 1 1 86 86 LEU HD22 H 1 0.816 0.02 . 2 . . . . 30 LEU MD2 . 11053 1 559 . 1 1 86 86 LEU HD23 H 1 0.816 0.02 . 2 . . . . 30 LEU MD2 . 11053 1 560 . 1 1 86 86 LEU CA C 13 57.977 0.2 . 1 . . . . 30 LEU CA . 11053 1 561 . 1 1 86 86 LEU CB C 13 42.367 0.2 . 1 . . . . 30 LEU CB . 11053 1 562 . 1 1 86 86 LEU CG C 13 30.567 0.2 . 1 . . . . 30 LEU CG . 11053 1 563 . 1 1 86 86 LEU CD1 C 13 23.737 0.2 . 2 . . . . 30 LEU CD1 . 11053 1 564 . 1 1 86 86 LEU CD2 C 13 23.737 0.2 . 2 . . . . 30 LEU CD2 . 11053 1 565 . 1 1 86 86 LEU N N 15 122.326 0.2 . 1 . . . . 30 LEU N . 11053 1 566 . 1 1 87 87 LEU H H 1 8.356 0.02 . 1 . . . . 31 LEU H . 11053 1 567 . 1 1 87 87 LEU HA H 1 4.456 0.02 . 1 . . . . 31 LEU HA . 11053 1 568 . 1 1 87 87 LEU HB2 H 1 1.576 0.02 . 4 . . . . 31 LEU HB2 . 11053 1 569 . 1 1 87 87 LEU HB3 H 1 1.576 0.02 . 4 . . . . 31 LEU HB3 . 11053 1 570 . 1 1 87 87 LEU HG H 1 1.476 0.02 . 4 . . . . 31 LEU HG . 11053 1 571 . 1 1 87 87 LEU HD11 H 1 0.766 0.02 . 2 . . . . 31 LEU MD1 . 11053 1 572 . 1 1 87 87 LEU HD12 H 1 0.766 0.02 . 2 . . . . 31 LEU MD1 . 11053 1 573 . 1 1 87 87 LEU HD13 H 1 0.766 0.02 . 2 . . . . 31 LEU MD1 . 11053 1 574 . 1 1 87 87 LEU HD21 H 1 0.766 0.02 . 2 . . . . 31 LEU MD2 . 11053 1 575 . 1 1 87 87 LEU HD22 H 1 0.766 0.02 . 2 . . . . 31 LEU MD2 . 11053 1 576 . 1 1 87 87 LEU HD23 H 1 0.766 0.02 . 2 . . . . 31 LEU MD2 . 11053 1 577 . 1 1 87 87 LEU CA C 13 54.257 0.2 . 1 . . . . 31 LEU CA . 11053 1 578 . 1 1 87 87 LEU CB C 13 41.847 0.2 . 1 . . . . 31 LEU CB . 11053 1 579 . 1 1 87 87 LEU CG C 13 27.067 0.2 . 1 . . . . 31 LEU CG . 11053 1 580 . 1 1 87 87 LEU CD1 C 13 25.267 0.2 . 2 . . . . 31 LEU CD1 . 11053 1 581 . 1 1 87 87 LEU CD2 C 13 25.267 0.2 . 2 . . . . 31 LEU CD2 . 11053 1 582 . 1 1 87 87 LEU N N 15 116.396 0.2 . 1 . . . . 31 LEU N . 11053 1 583 . 1 1 88 88 GLY H H 1 7.436 0.02 . 1 . . . . 32 GLY H . 11053 1 584 . 1 1 88 88 GLY HA2 H 1 4.436 0.02 . 2 . . . . 32 GLY HA2 . 11053 1 585 . 1 1 88 88 GLY HA3 H 1 3.816 0.02 . 2 . . . . 32 GLY HA3 . 11053 1 586 . 1 1 88 88 GLY CA C 13 44.517 0.2 . 1 . . . . 32 GLY CA . 11053 1 587 . 1 1 88 88 GLY N N 15 107.576 0.2 . 1 . . . . 32 GLY N . 11053 1 588 . 1 1 89 89 SER H H 1 8.656 0.02 . 1 . . . . 33 SER H . 11053 1 589 . 1 1 89 89 SER HA H 1 5.306 0.02 . 1 . . . . 33 SER HA . 11053 1 590 . 1 1 89 89 SER HB2 H 1 3.826 0.02 . 2 . . . . 33 SER HB2 . 11053 1 591 . 1 1 89 89 SER HB3 H 1 3.826 0.02 . 2 . . . . 33 SER HB3 . 11053 1 592 . 1 1 89 89 SER CA C 13 57.967 0.2 . 1 . . . . 33 SER CA . 11053 1 593 . 1 1 89 89 SER CB C 13 65.067 0.2 . 1 . . . . 33 SER CB . 11053 1 594 . 1 1 89 89 SER N N 15 117.436 0.2 . 1 . . . . 33 SER N . 11053 1 595 . 1 1 90 90 TYR H H 1 8.746 0.02 . 1 . . . . 34 TYR H . 11053 1 596 . 1 1 90 90 TYR HA H 1 4.716 0.02 . 1 . . . . 34 TYR HA . 11053 1 597 . 1 1 90 90 TYR HB2 H 1 2.856 0.02 . 2 . . . . 34 TYR HB2 . 11053 1 598 . 1 1 90 90 TYR HB3 H 1 2.856 0.02 . 2 . . . . 34 TYR HB3 . 11053 1 599 . 1 1 90 90 TYR CA C 13 56.407 0.2 . 1 . . . . 34 TYR CA . 11053 1 600 . 1 1 90 90 TYR CB C 13 42.267 0.2 . 1 . . . . 34 TYR CB . 11053 1 601 . 1 1 90 90 TYR N N 15 119.256 0.2 . 1 . . . . 34 TYR N . 11053 1 602 . 1 1 91 91 GLN H H 1 8.566 0.02 . 1 . . . . 35 GLN H . 11053 1 603 . 1 1 91 91 GLN HA H 1 4.686 0.02 . 1 . . . . 35 GLN HA . 11053 1 604 . 1 1 91 91 GLN HB2 H 1 1.666 0.02 . 2 . . . . 35 GLN HB2 . 11053 1 605 . 1 1 91 91 GLN HB3 H 1 1.906 0.02 . 2 . . . . 35 GLN HB3 . 11053 1 606 . 1 1 91 91 GLN HG2 H 1 2.166 0.02 . 2 . . . . 35 GLN HG2 . 11053 1 607 . 1 1 91 91 GLN HG3 H 1 2.096 0.02 . 2 . . . . 35 GLN HG3 . 11053 1 608 . 1 1 91 91 GLN CA C 13 55.517 0.2 . 1 . . . . 35 GLN CA . 11053 1 609 . 1 1 91 91 GLN CB C 13 30.997 0.2 . 1 . . . . 35 GLN CB . 11053 1 610 . 1 1 91 91 GLN CG C 13 35.917 0.2 . 1 . . . . 35 GLN CG . 11053 1 611 . 1 1 91 91 GLN N N 15 121.186 0.2 . 1 . . . . 35 GLN N . 11053 1 612 . 1 1 92 92 ALA H H 1 8.746 0.02 . 1 . . . . 36 ALA H . 11053 1 613 . 1 1 92 92 ALA HA H 1 4.356 0.02 . 1 . . . . 36 ALA HA . 11053 1 614 . 1 1 92 92 ALA HB1 H 1 1.026 0.02 . 1 . . . . 36 ALA MB . 11053 1 615 . 1 1 92 92 ALA HB2 H 1 1.026 0.02 . 1 . . . . 36 ALA MB . 11053 1 616 . 1 1 92 92 ALA HB3 H 1 1.026 0.02 . 1 . . . . 36 ALA MB . 11053 1 617 . 1 1 92 92 ALA CA C 13 52.217 0.2 . 1 . . . . 36 ALA CA . 11053 1 618 . 1 1 92 92 ALA CB C 13 20.497 0.2 . 1 . . . . 36 ALA CB . 11053 1 619 . 1 1 92 92 ALA N N 15 132.286 0.2 . 1 . . . . 36 ALA N . 11053 1 620 . 1 1 93 93 GLY H H 1 7.716 0.02 . 1 . . . . 37 GLY H . 11053 1 621 . 1 1 93 93 GLY HA2 H 1 3.716 0.02 . 2 . . . . 37 GLY HA2 . 11053 1 622 . 1 1 93 93 GLY HA3 H 1 3.586 0.02 . 2 . . . . 37 GLY HA3 . 11053 1 623 . 1 1 93 93 GLY CA C 13 46.287 0.2 . 1 . . . . 37 GLY CA . 11053 1 624 . 1 1 93 93 GLY N N 15 103.656 0.2 . 1 . . . . 37 GLY N . 11053 1 625 . 1 1 94 94 ALA H H 1 9.116 0.02 . 1 . . . . 38 ALA H . 11053 1 626 . 1 1 94 94 ALA HA H 1 5.166 0.02 . 1 . . . . 38 ALA HA . 11053 1 627 . 1 1 94 94 ALA HB1 H 1 1.306 0.02 . 1 . . . . 38 ALA MB . 11053 1 628 . 1 1 94 94 ALA HB2 H 1 1.306 0.02 . 1 . . . . 38 ALA MB . 11053 1 629 . 1 1 94 94 ALA HB3 H 1 1.306 0.02 . 1 . . . . 38 ALA MB . 11053 1 630 . 1 1 94 94 ALA CA C 13 50.807 0.2 . 1 . . . . 38 ALA CA . 11053 1 631 . 1 1 94 94 ALA CB C 13 22.477 0.2 . 1 . . . . 38 ALA CB . 11053 1 632 . 1 1 94 94 ALA N N 15 124.486 0.2 . 1 . . . . 38 ALA N . 11053 1 633 . 1 1 95 95 GLY H H 1 8.506 0.02 . 1 . . . . 39 GLY H . 11053 1 634 . 1 1 95 95 GLY HA2 H 1 3.756 0.02 . 2 . . . . 39 GLY HA2 . 11053 1 635 . 1 1 95 95 GLY HA3 H 1 3.756 0.02 . 2 . . . . 39 GLY HA3 . 11053 1 636 . 1 1 95 95 GLY CA C 13 46.937 0.2 . 1 . . . . 39 GLY CA . 11053 1 637 . 1 1 95 95 GLY N N 15 104.546 0.2 . 1 . . . . 39 GLY N . 11053 1 638 . 1 1 96 96 VAL H H 1 8.416 0.02 . 1 . . . . 40 VAL H . 11053 1 639 . 1 1 96 96 VAL HA H 1 5.456 0.02 . 1 . . . . 40 VAL HA . 11053 1 640 . 1 1 96 96 VAL HB H 1 1.776 0.02 . 1 . . . . 40 VAL HB . 11053 1 641 . 1 1 96 96 VAL HG11 H 1 0.926 0.02 . 2 . . . . 40 VAL MG1 . 11053 1 642 . 1 1 96 96 VAL HG12 H 1 0.926 0.02 . 2 . . . . 40 VAL MG1 . 11053 1 643 . 1 1 96 96 VAL HG13 H 1 0.926 0.02 . 2 . . . . 40 VAL MG1 . 11053 1 644 . 1 1 96 96 VAL HG21 H 1 0.786 0.02 . 2 . . . . 40 VAL MG2 . 11053 1 645 . 1 1 96 96 VAL HG22 H 1 0.786 0.02 . 2 . . . . 40 VAL MG2 . 11053 1 646 . 1 1 96 96 VAL HG23 H 1 0.786 0.02 . 2 . . . . 40 VAL MG2 . 11053 1 647 . 1 1 96 96 VAL CA C 13 58.847 0.2 . 1 . . . . 40 VAL CA . 11053 1 648 . 1 1 96 96 VAL CB C 13 36.577 0.2 . 1 . . . . 40 VAL CB . 11053 1 649 . 1 1 96 96 VAL CG1 C 13 22.067 0.2 . 2 . . . . 40 VAL CG1 . 11053 1 650 . 1 1 96 96 VAL CG2 C 13 21.187 0.2 . 2 . . . . 40 VAL CG2 . 11053 1 651 . 1 1 96 96 VAL N N 15 113.746 0.2 . 1 . . . . 40 VAL N . 11053 1 652 . 1 1 97 97 MET H H 1 9.776 0.02 . 1 . . . . 41 MET H . 11053 1 653 . 1 1 97 97 MET HA H 1 5.686 0.02 . 1 . . . . 41 MET HA . 11053 1 654 . 1 1 97 97 MET HB2 H 1 1.526 0.02 . 2 . . . . 41 MET HB2 . 11053 1 655 . 1 1 97 97 MET HB3 H 1 1.526 0.02 . 2 . . . . 41 MET HB3 . 11053 1 656 . 1 1 97 97 MET HG2 H 1 1.946 0.02 . 2 . . . . 41 MET HG2 . 11053 1 657 . 1 1 97 97 MET HG3 H 1 1.946 0.02 . 2 . . . . 41 MET HG3 . 11053 1 658 . 1 1 97 97 MET HE1 H 1 1.066 0.02 . 1 . . . . 41 MET ME . 11053 1 659 . 1 1 97 97 MET HE2 H 1 1.066 0.02 . 1 . . . . 41 MET ME . 11053 1 660 . 1 1 97 97 MET HE3 H 1 1.066 0.02 . 1 . . . . 41 MET ME . 11053 1 661 . 1 1 97 97 MET CA C 13 53.357 0.2 . 1 . . . . 41 MET CA . 11053 1 662 . 1 1 97 97 MET CB C 13 31.317 0.2 . 1 . . . . 41 MET CB . 11053 1 663 . 1 1 97 97 MET CG C 13 31.367 0.2 . 1 . . . . 41 MET CG . 11053 1 664 . 1 1 97 97 MET CE C 13 20.517 0.2 . 1 . . . . 41 MET CE . 11053 1 665 . 1 1 97 97 MET N N 15 135.656 0.2 . 1 . . . . 41 MET N . 11053 1 666 . 1 1 98 98 VAL H H 1 8.886 0.02 . 1 . . . . 42 VAL H . 11053 1 667 . 1 1 98 98 VAL HA H 1 4.276 0.02 . 1 . . . . 42 VAL HA . 11053 1 668 . 1 1 98 98 VAL HB H 1 1.706 0.02 . 1 . . . . 42 VAL HB . 11053 1 669 . 1 1 98 98 VAL HG11 H 1 0.866 0.02 . 2 . . . . 42 VAL MG1 . 11053 1 670 . 1 1 98 98 VAL HG12 H 1 0.866 0.02 . 2 . . . . 42 VAL MG1 . 11053 1 671 . 1 1 98 98 VAL HG13 H 1 0.866 0.02 . 2 . . . . 42 VAL MG1 . 11053 1 672 . 1 1 98 98 VAL HG21 H 1 0.806 0.02 . 2 . . . . 42 VAL MG2 . 11053 1 673 . 1 1 98 98 VAL HG22 H 1 0.806 0.02 . 2 . . . . 42 VAL MG2 . 11053 1 674 . 1 1 98 98 VAL HG23 H 1 0.806 0.02 . 2 . . . . 42 VAL MG2 . 11053 1 675 . 1 1 98 98 VAL CA C 13 62.237 0.2 . 1 . . . . 42 VAL CA . 11053 1 676 . 1 1 98 98 VAL CB C 13 32.757 0.2 . 1 . . . . 42 VAL CB . 11053 1 677 . 1 1 98 98 VAL CG1 C 13 22.907 0.2 . 2 . . . . 42 VAL CG1 . 11053 1 678 . 1 1 98 98 VAL CG2 C 13 22.187 0.2 . 2 . . . . 42 VAL CG2 . 11053 1 679 . 1 1 98 98 VAL N N 15 126.096 0.2 . 1 . . . . 42 VAL N . 11053 1 680 . 1 1 99 99 GLU H H 1 9.466 0.02 . 1 . . . . 43 GLU H . 11053 1 681 . 1 1 99 99 GLU HA H 1 3.666 0.02 . 1 . . . . 43 GLU HA . 11053 1 682 . 1 1 99 99 GLU HB2 H 1 2.126 0.02 . 4 . . . . 43 GLU HB2 . 11053 1 683 . 1 1 99 99 GLU HB3 H 1 2.186 0.02 . 4 . . . . 43 GLU HB3 . 11053 1 684 . 1 1 99 99 GLU HG2 H 1 2.206 0.02 . 4 . . . . 43 GLU HG2 . 11053 1 685 . 1 1 99 99 GLU HG3 H 1 2.156 0.02 . 4 . . . . 43 GLU HG3 . 11053 1 686 . 1 1 99 99 GLU CA C 13 57.497 0.2 . 1 . . . . 43 GLU CA . 11053 1 687 . 1 1 99 99 GLU CG C 13 37.927 0.2 . 1 . . . . 43 GLU CG . 11053 1 688 . 1 1 99 99 GLU N N 15 124.056 0.2 . 1 . . . . 43 GLU N . 11053 1 689 . 1 1 100 100 GLY H H 1 9.096 0.02 . 1 . . . . 44 GLY H . 11053 1 690 . 1 1 100 100 GLY HA2 H 1 3.396 0.02 . 2 . . . . 44 GLY HA2 . 11053 1 691 . 1 1 100 100 GLY HA3 H 1 3.926 0.02 . 2 . . . . 44 GLY HA3 . 11053 1 692 . 1 1 100 100 GLY CA C 13 45.347 0.2 . 1 . . . . 44 GLY CA . 11053 1 693 . 1 1 100 100 GLY N N 15 103.406 0.2 . 1 . . . . 44 GLY N . 11053 1 694 . 1 1 101 101 VAL H H 1 7.536 0.02 . 1 . . . . 45 VAL H . 11053 1 695 . 1 1 101 101 VAL HA H 1 4.346 0.02 . 1 . . . . 45 VAL HA . 11053 1 696 . 1 1 101 101 VAL HB H 1 1.616 0.02 . 1 . . . . 45 VAL HB . 11053 1 697 . 1 1 101 101 VAL HG11 H 1 0.466 0.02 . 2 . . . . 45 VAL MG1 . 11053 1 698 . 1 1 101 101 VAL HG12 H 1 0.466 0.02 . 2 . . . . 45 VAL MG1 . 11053 1 699 . 1 1 101 101 VAL HG13 H 1 0.466 0.02 . 2 . . . . 45 VAL MG1 . 11053 1 700 . 1 1 101 101 VAL HG21 H 1 -0.044 0.02 . 2 . . . . 45 VAL MG2 . 11053 1 701 . 1 1 101 101 VAL HG22 H 1 -0.044 0.02 . 2 . . . . 45 VAL MG2 . 11053 1 702 . 1 1 101 101 VAL HG23 H 1 -0.044 0.02 . 2 . . . . 45 VAL MG2 . 11053 1 703 . 1 1 101 101 VAL CA C 13 61.007 0.2 . 1 . . . . 45 VAL CA . 11053 1 704 . 1 1 101 101 VAL CB C 13 35.367 0.2 . 1 . . . . 45 VAL CB . 11053 1 705 . 1 1 101 101 VAL CG1 C 13 21.177 0.2 . 2 . . . . 45 VAL CG1 . 11053 1 706 . 1 1 101 101 VAL CG2 C 13 20.637 0.2 . 2 . . . . 45 VAL CG2 . 11053 1 707 . 1 1 101 101 VAL N N 15 119.886 0.2 . 1 . . . . 45 VAL N . 11053 1 708 . 1 1 102 102 PHE H H 1 8.336 0.02 . 1 . . . . 46 PHE H . 11053 1 709 . 1 1 102 102 PHE HA H 1 4.336 0.02 . 1 . . . . 46 PHE HA . 11053 1 710 . 1 1 102 102 PHE HB2 H 1 2.966 0.02 . 2 . . . . 46 PHE HB2 . 11053 1 711 . 1 1 102 102 PHE HB3 H 1 2.966 0.02 . 2 . . . . 46 PHE HB3 . 11053 1 712 . 1 1 102 102 PHE CA C 13 57.187 0.2 . 1 . . . . 46 PHE CA . 11053 1 713 . 1 1 102 102 PHE CB C 13 42.447 0.2 . 1 . . . . 46 PHE CB . 11053 1 714 . 1 1 102 102 PHE N N 15 126.696 0.2 . 1 . . . . 46 PHE N . 11053 1 715 . 1 1 103 103 HIS H H 1 8.586 0.02 . 1 . . . . 47 HIS H . 11053 1 716 . 1 1 103 103 HIS HA H 1 4.676 0.02 . 1 . . . . 47 HIS HA . 11053 1 717 . 1 1 103 103 HIS HB2 H 1 2.696 0.02 . 2 . . . . 47 HIS HB2 . 11053 1 718 . 1 1 103 103 HIS HB3 H 1 2.696 0.02 . 2 . . . . 47 HIS HB3 . 11053 1 719 . 1 1 103 103 HIS CA C 13 55.817 0.2 . 1 . . . . 47 HIS CA . 11053 1 720 . 1 1 103 103 HIS CB C 13 30.267 0.2 . 1 . . . . 47 HIS CB . 11053 1 721 . 1 1 103 103 HIS N N 15 126.696 0.2 . 1 . . . . 47 HIS N . 11053 1 722 . 1 1 104 104 THR H H 1 9.036 0.02 . 1 . . . . 48 THR H . 11053 1 723 . 1 1 104 104 THR HA H 1 4.566 0.02 . 1 . . . . 48 THR HA . 11053 1 724 . 1 1 104 104 THR HB H 1 3.786 0.02 . 1 . . . . 48 THR HB . 11053 1 725 . 1 1 104 104 THR HG21 H 1 1.106 0.02 . 1 . . . . 48 THR MG . 11053 1 726 . 1 1 104 104 THR HG22 H 1 1.106 0.02 . 1 . . . . 48 THR MG . 11053 1 727 . 1 1 104 104 THR HG23 H 1 1.106 0.02 . 1 . . . . 48 THR MG . 11053 1 728 . 1 1 104 104 THR CA C 13 60.257 0.2 . 1 . . . . 48 THR CA . 11053 1 729 . 1 1 104 104 THR CB C 13 70.497 0.2 . 1 . . . . 48 THR CB . 11053 1 730 . 1 1 104 104 THR CG2 C 13 22.217 0.2 . 1 . . . . 48 THR CG2 . 11053 1 731 . 1 1 104 104 THR N N 15 116.666 0.2 . 1 . . . . 48 THR N . 11053 1 732 . 1 1 105 105 LEU H H 1 8.116 0.02 . 1 . . . . 49 LEU H . 11053 1 733 . 1 1 105 105 LEU HA H 1 5.386 0.02 . 1 . . . . 49 LEU HA . 11053 1 734 . 1 1 105 105 LEU HB2 H 1 1.716 0.02 . 4 . . . . 49 LEU HB2 . 11053 1 735 . 1 1 105 105 LEU HB3 H 1 1.716 0.02 . 4 . . . . 49 LEU HB3 . 11053 1 736 . 1 1 105 105 LEU HG H 1 1.666 0.02 . 4 . . . . 49 LEU HG . 11053 1 737 . 1 1 105 105 LEU HD11 H 1 1.096 0.02 . 2 . . . . 49 LEU MD1 . 11053 1 738 . 1 1 105 105 LEU HD12 H 1 1.096 0.02 . 2 . . . . 49 LEU MD1 . 11053 1 739 . 1 1 105 105 LEU HD13 H 1 1.096 0.02 . 2 . . . . 49 LEU MD1 . 11053 1 740 . 1 1 105 105 LEU HD21 H 1 0.966 0.02 . 2 . . . . 49 LEU MD2 . 11053 1 741 . 1 1 105 105 LEU HD22 H 1 0.966 0.02 . 2 . . . . 49 LEU MD2 . 11053 1 742 . 1 1 105 105 LEU HD23 H 1 0.966 0.02 . 2 . . . . 49 LEU MD2 . 11053 1 743 . 1 1 105 105 LEU CA C 13 53.137 0.2 . 1 . . . . 49 LEU CA . 11053 1 744 . 1 1 105 105 LEU CB C 13 45.937 0.2 . 1 . . . . 49 LEU CB . 11053 1 745 . 1 1 105 105 LEU CD1 C 13 24.477 0.2 . 2 . . . . 49 LEU CD1 . 11053 1 746 . 1 1 105 105 LEU CD2 C 13 26.567 0.2 . 2 . . . . 49 LEU CD2 . 11053 1 747 . 1 1 105 105 LEU N N 15 118.676 0.2 . 1 . . . . 49 LEU N . 11053 1 748 . 1 1 106 106 TRP H H 1 6.836 0.02 . 1 . . . . 50 TRP H . 11053 1 749 . 1 1 106 106 TRP HA H 1 4.406 0.02 . 1 . . . . 50 TRP HA . 11053 1 750 . 1 1 106 106 TRP HB2 H 1 2.946 0.02 . 2 . . . . 50 TRP HB2 . 11053 1 751 . 1 1 106 106 TRP HB3 H 1 2.946 0.02 . 2 . . . . 50 TRP HB3 . 11053 1 752 . 1 1 106 106 TRP CA C 13 60.867 0.2 . 1 . . . . 50 TRP CA . 11053 1 753 . 1 1 106 106 TRP CB C 13 31.807 0.2 . 1 . . . . 50 TRP CB . 11053 1 754 . 1 1 106 106 TRP N N 15 123.126 0.2 . 1 . . . . 50 TRP N . 11053 1 755 . 1 1 107 107 HIS H H 1 9.176 0.02 . 1 . . . . 51 HIS H . 11053 1 756 . 1 1 107 107 HIS HA H 1 4.116 0.02 . 1 . . . . 51 HIS HA . 11053 1 757 . 1 1 107 107 HIS HB2 H 1 3.246 0.02 . 2 . . . . 51 HIS HB2 . 11053 1 758 . 1 1 107 107 HIS HB3 H 1 3.246 0.02 . 2 . . . . 51 HIS HB3 . 11053 1 759 . 1 1 107 107 HIS CA C 13 59.337 0.2 . 1 . . . . 51 HIS CA . 11053 1 760 . 1 1 107 107 HIS CB C 13 29.377 0.2 . 1 . . . . 51 HIS CB . 11053 1 761 . 1 1 107 107 HIS N N 15 111.146 0.2 . 1 . . . . 51 HIS N . 11053 1 762 . 1 1 108 108 THR H H 1 7.316 0.02 . 1 . . . . 52 THR H . 11053 1 763 . 1 1 108 108 THR HA H 1 3.896 0.02 . 1 . . . . 52 THR HA . 11053 1 764 . 1 1 108 108 THR HB H 1 3.746 0.02 . 1 . . . . 52 THR HB . 11053 1 765 . 1 1 108 108 THR HG21 H 1 1.086 0.02 . 1 . . . . 52 THR MG . 11053 1 766 . 1 1 108 108 THR HG22 H 1 1.086 0.02 . 1 . . . . 52 THR MG . 11053 1 767 . 1 1 108 108 THR HG23 H 1 1.086 0.02 . 1 . . . . 52 THR MG . 11053 1 768 . 1 1 108 108 THR CA C 13 64.277 0.2 . 1 . . . . 52 THR CA . 11053 1 769 . 1 1 108 108 THR CB C 13 68.527 0.2 . 1 . . . . 52 THR CB . 11053 1 770 . 1 1 108 108 THR CG2 C 13 22.947 0.2 . 1 . . . . 52 THR CG2 . 11053 1 771 . 1 1 108 108 THR N N 15 113.536 0.2 . 1 . . . . 52 THR N . 11053 1 772 . 1 1 109 109 THR H H 1 6.476 0.02 . 1 . . . . 53 THR H . 11053 1 773 . 1 1 109 109 THR HA H 1 4.176 0.02 . 1 . . . . 53 THR HA . 11053 1 774 . 1 1 109 109 THR HB H 1 3.736 0.02 . 1 . . . . 53 THR HB . 11053 1 775 . 1 1 109 109 THR HG21 H 1 1.066 0.02 . 1 . . . . 53 THR MG . 11053 1 776 . 1 1 109 109 THR HG22 H 1 1.066 0.02 . 1 . . . . 53 THR MG . 11053 1 777 . 1 1 109 109 THR HG23 H 1 1.066 0.02 . 1 . . . . 53 THR MG . 11053 1 778 . 1 1 109 109 THR CA C 13 60.227 0.2 . 1 . . . . 53 THR CA . 11053 1 779 . 1 1 109 109 THR CB C 13 69.267 0.2 . 1 . . . . 53 THR CB . 11053 1 780 . 1 1 109 109 THR CG2 C 13 22.277 0.2 . 1 . . . . 53 THR CG2 . 11053 1 781 . 1 1 109 109 THR N N 15 106.336 0.2 . 1 . . . . 53 THR N . 11053 1 782 . 1 1 110 110 LYS H H 1 8.616 0.02 . 1 . . . . 54 LYS H . 11053 1 783 . 1 1 110 110 LYS HA H 1 4.896 0.02 . 1 . . . . 54 LYS HA . 11053 1 784 . 1 1 110 110 LYS HB2 H 1 1.946 0.02 . 2 . . . . 54 LYS HB2 . 11053 1 785 . 1 1 110 110 LYS HB3 H 1 1.946 0.02 . 2 . . . . 54 LYS HB3 . 11053 1 786 . 1 1 110 110 LYS HG2 H 1 1.596 0.02 . 4 . . . . 54 LYS HG2 . 11053 1 787 . 1 1 110 110 LYS HG3 H 1 1.596 0.02 . 4 . . . . 54 LYS HG3 . 11053 1 788 . 1 1 110 110 LYS HD2 H 1 1.646 0.02 . 4 . . . . 54 LYS HD2 . 11053 1 789 . 1 1 110 110 LYS HD3 H 1 1.646 0.02 . 4 . . . . 54 LYS HD3 . 11053 1 790 . 1 1 110 110 LYS HE2 H 1 2.966 0.02 . 2 . . . . 54 LYS HE2 . 11053 1 791 . 1 1 110 110 LYS HE3 H 1 2.966 0.02 . 2 . . . . 54 LYS HE3 . 11053 1 792 . 1 1 110 110 LYS CA C 13 56.517 0.2 . 1 . . . . 54 LYS CA . 11053 1 793 . 1 1 110 110 LYS CB C 13 30.997 0.2 . 1 . . . . 54 LYS CB . 11053 1 794 . 1 1 110 110 LYS CG C 13 27.137 0.2 . 1 . . . . 54 LYS CG . 11053 1 795 . 1 1 110 110 LYS CD C 13 30.937 0.2 . 1 . . . . 54 LYS CD . 11053 1 796 . 1 1 110 110 LYS CE C 13 44.097 0.2 . 1 . . . . 54 LYS CE . 11053 1 797 . 1 1 110 110 LYS N N 15 120.626 0.2 . 1 . . . . 54 LYS N . 11053 1 798 . 1 1 111 111 GLY H H 1 6.866 0.02 . 1 . . . . 55 GLY H . 11053 1 799 . 1 1 111 111 GLY HA2 H 1 3.806 0.02 . 2 . . . . 55 GLY HA2 . 11053 1 800 . 1 1 111 111 GLY HA3 H 1 3.806 0.02 . 2 . . . . 55 GLY HA3 . 11053 1 801 . 1 1 111 111 GLY CA C 13 44.707 0.2 . 1 . . . . 55 GLY CA . 11053 1 802 . 1 1 111 111 GLY N N 15 101.326 0.2 . 1 . . . . 55 GLY N . 11053 1 803 . 1 1 112 112 ALA H H 1 6.956 0.02 . 1 . . . . 56 ALA H . 11053 1 804 . 1 1 112 112 ALA HA H 1 4.026 0.02 . 1 . . . . 56 ALA HA . 11053 1 805 . 1 1 112 112 ALA HB1 H 1 1.316 0.02 . 1 . . . . 56 ALA MB . 11053 1 806 . 1 1 112 112 ALA HB2 H 1 1.316 0.02 . 1 . . . . 56 ALA MB . 11053 1 807 . 1 1 112 112 ALA HB3 H 1 1.316 0.02 . 1 . . . . 56 ALA MB . 11053 1 808 . 1 1 112 112 ALA CA C 13 52.487 0.2 . 1 . . . . 56 ALA CA . 11053 1 809 . 1 1 112 112 ALA CB C 13 22.887 0.2 . 1 . . . . 56 ALA CB . 11053 1 810 . 1 1 112 112 ALA N N 15 121.036 0.2 . 1 . . . . 56 ALA N . 11053 1 811 . 1 1 113 113 ALA H H 1 8.506 0.02 . 1 . . . . 57 ALA H . 11053 1 812 . 1 1 113 113 ALA HA H 1 4.326 0.02 . 1 . . . . 57 ALA HA . 11053 1 813 . 1 1 113 113 ALA HB1 H 1 1.316 0.02 . 1 . . . . 57 ALA MB . 11053 1 814 . 1 1 113 113 ALA HB2 H 1 1.316 0.02 . 1 . . . . 57 ALA MB . 11053 1 815 . 1 1 113 113 ALA HB3 H 1 1.316 0.02 . 1 . . . . 57 ALA MB . 11053 1 816 . 1 1 113 113 ALA CA C 13 53.387 0.2 . 1 . . . . 57 ALA CA . 11053 1 817 . 1 1 113 113 ALA CB C 13 19.057 0.2 . 1 . . . . 57 ALA CB . 11053 1 818 . 1 1 113 113 ALA N N 15 124.346 0.2 . 1 . . . . 57 ALA N . 11053 1 819 . 1 1 114 114 LEU H H 1 8.036 0.02 . 1 . . . . 58 LEU H . 11053 1 820 . 1 1 114 114 LEU HA H 1 4.356 0.02 . 1 . . . . 58 LEU HA . 11053 1 821 . 1 1 114 114 LEU HB2 H 1 1.306 0.02 . 2 . . . . 58 LEU HB2 . 11053 1 822 . 1 1 114 114 LEU HB3 H 1 1.306 0.02 . 2 . . . . 58 LEU HB3 . 11053 1 823 . 1 1 114 114 LEU HG H 1 1.136 0.02 . 1 . . . . 58 LEU HG . 11053 1 824 . 1 1 114 114 LEU HD11 H 1 0.296 0.02 . 2 . . . . 58 LEU MD1 . 11053 1 825 . 1 1 114 114 LEU HD12 H 1 0.296 0.02 . 2 . . . . 58 LEU MD1 . 11053 1 826 . 1 1 114 114 LEU HD13 H 1 0.296 0.02 . 2 . . . . 58 LEU MD1 . 11053 1 827 . 1 1 114 114 LEU HD21 H 1 0.566 0.02 . 2 . . . . 58 LEU MD2 . 11053 1 828 . 1 1 114 114 LEU HD22 H 1 0.566 0.02 . 2 . . . . 58 LEU MD2 . 11053 1 829 . 1 1 114 114 LEU HD23 H 1 0.566 0.02 . 2 . . . . 58 LEU MD2 . 11053 1 830 . 1 1 114 114 LEU CA C 13 52.337 0.2 . 1 . . . . 58 LEU CA . 11053 1 831 . 1 1 114 114 LEU CB C 13 42.067 0.2 . 1 . . . . 58 LEU CB . 11053 1 832 . 1 1 114 114 LEU N N 15 116.876 0.2 . 1 . . . . 58 LEU N . 11053 1 833 . 1 1 117 117 GLY H H 1 9.356 0.02 . 1 . . . . 61 GLY H . 11053 1 834 . 1 1 117 117 GLY HA2 H 1 4.106 0.02 . 2 . . . . 61 GLY HA2 . 11053 1 835 . 1 1 117 117 GLY HA3 H 1 3.636 0.02 . 2 . . . . 61 GLY HA3 . 11053 1 836 . 1 1 117 117 GLY CA C 13 47.027 0.2 . 1 . . . . 61 GLY CA . 11053 1 837 . 1 1 117 117 GLY N N 15 120.536 0.2 . 1 . . . . 61 GLY N . 11053 1 838 . 1 1 118 118 GLU H H 1 9.026 0.02 . 1 . . . . 62 GLU H . 11053 1 839 . 1 1 118 118 GLU HA H 1 4.186 0.02 . 1 . . . . 62 GLU HA . 11053 1 840 . 1 1 118 118 GLU HB2 H 1 2.136 0.02 . 4 . . . . 62 GLU HB2 . 11053 1 841 . 1 1 118 118 GLU HB3 H 1 1.806 0.02 . 4 . . . . 62 GLU HB3 . 11053 1 842 . 1 1 118 118 GLU HG2 H 1 2.536 0.02 . 4 . . . . 62 GLU HG2 . 11053 1 843 . 1 1 118 118 GLU HG3 H 1 2.196 0.02 . 4 . . . . 62 GLU HG3 . 11053 1 844 . 1 1 118 118 GLU CA C 13 56.477 0.2 . 1 . . . . 62 GLU CA . 11053 1 845 . 1 1 118 118 GLU CB C 13 30.283 0.2 . 1 . . . . 62 GLU CB . 11053 1 846 . 1 1 118 118 GLU CG C 13 40.697 0.2 . 1 . . . . 62 GLU CG . 11053 1 847 . 1 1 118 118 GLU N N 15 125.446 0.2 . 1 . . . . 62 GLU N . 11053 1 848 . 1 1 119 119 GLY H H 1 7.386 0.02 . 1 . . . . 63 GLY H . 11053 1 849 . 1 1 119 119 GLY HA2 H 1 3.946 0.02 . 2 . . . . 63 GLY HA2 . 11053 1 850 . 1 1 119 119 GLY HA3 H 1 4.376 0.02 . 2 . . . . 63 GLY HA3 . 11053 1 851 . 1 1 119 119 GLY CA C 13 44.417 0.2 . 1 . . . . 63 GLY CA . 11053 1 852 . 1 1 119 119 GLY N N 15 105.686 0.2 . 1 . . . . 63 GLY N . 11053 1 853 . 1 1 120 120 ARG H H 1 8.296 0.02 . 1 . . . . 64 ARG H . 11053 1 854 . 1 1 120 120 ARG HA H 1 4.336 0.02 . 1 . . . . 64 ARG HA . 11053 1 855 . 1 1 120 120 ARG HB2 H 1 1.786 0.02 . 2 . . . . 64 ARG HB2 . 11053 1 856 . 1 1 120 120 ARG HB3 H 1 1.786 0.02 . 2 . . . . 64 ARG HB3 . 11053 1 857 . 1 1 120 120 ARG HG2 H 1 1.526 0.02 . 2 . . . . 64 ARG HG2 . 11053 1 858 . 1 1 120 120 ARG HG3 H 1 1.526 0.02 . 2 . . . . 64 ARG HG3 . 11053 1 859 . 1 1 120 120 ARG HD2 H 1 2.896 0.02 . 2 . . . . 64 ARG HD2 . 11053 1 860 . 1 1 120 120 ARG HD3 H 1 2.896 0.02 . 2 . . . . 64 ARG HD3 . 11053 1 861 . 1 1 120 120 ARG CA C 13 54.977 0.2 . 1 . . . . 64 ARG CA . 11053 1 862 . 1 1 120 120 ARG CB C 13 29.797 0.2 . 1 . . . . 64 ARG CB . 11053 1 863 . 1 1 120 120 ARG CG C 13 29.567 0.2 . 1 . . . . 64 ARG CG . 11053 1 864 . 1 1 120 120 ARG N N 15 120.166 0.2 . 1 . . . . 64 ARG N . 11053 1 865 . 1 1 121 121 LEU H H 1 9.406 0.02 . 1 . . . . 65 LEU H . 11053 1 866 . 1 1 121 121 LEU HA H 1 4.746 0.02 . 1 . . . . 65 LEU HA . 11053 1 867 . 1 1 121 121 LEU HB2 H 1 1.346 0.02 . 2 . . . . 65 LEU HB2 . 11053 1 868 . 1 1 121 121 LEU HB3 H 1 1.346 0.02 . 2 . . . . 65 LEU HB3 . 11053 1 869 . 1 1 121 121 LEU HG H 1 1.166 0.02 . 1 . . . . 65 LEU HG . 11053 1 870 . 1 1 121 121 LEU HD11 H 1 0.586 0.02 . 2 . . . . 65 LEU MD1 . 11053 1 871 . 1 1 121 121 LEU HD12 H 1 0.586 0.02 . 2 . . . . 65 LEU MD1 . 11053 1 872 . 1 1 121 121 LEU HD13 H 1 0.586 0.02 . 2 . . . . 65 LEU MD1 . 11053 1 873 . 1 1 121 121 LEU HD21 H 1 0.256 0.02 . 2 . . . . 65 LEU MD2 . 11053 1 874 . 1 1 121 121 LEU HD22 H 1 0.256 0.02 . 2 . . . . 65 LEU MD2 . 11053 1 875 . 1 1 121 121 LEU HD23 H 1 0.256 0.02 . 2 . . . . 65 LEU MD2 . 11053 1 876 . 1 1 121 121 LEU CA C 13 53.677 0.2 . 1 . . . . 65 LEU CA . 11053 1 877 . 1 1 121 121 LEU CB C 13 43.497 0.2 . 1 . . . . 65 LEU CB . 11053 1 878 . 1 1 121 121 LEU CG C 13 27.287 0.2 . 1 . . . . 65 LEU CG . 11053 1 879 . 1 1 121 121 LEU CD1 C 13 22.937 0.2 . 2 . . . . 65 LEU CD1 . 11053 1 880 . 1 1 121 121 LEU CD2 C 13 25.877 0.2 . 2 . . . . 65 LEU CD2 . 11053 1 881 . 1 1 121 121 LEU N N 15 125.506 0.2 . 1 . . . . 65 LEU N . 11053 1 882 . 1 1 122 122 ASP H H 1 8.986 0.02 . 1 . . . . 66 ASP H . 11053 1 883 . 1 1 122 122 ASP HA H 1 5.196 0.02 . 1 . . . . 66 ASP HA . 11053 1 884 . 1 1 122 122 ASP HB2 H 1 2.626 0.02 . 2 . . . . 66 ASP HB2 . 11053 1 885 . 1 1 122 122 ASP HB3 H 1 2.306 0.02 . 2 . . . . 66 ASP HB3 . 11053 1 886 . 1 1 122 122 ASP CA C 13 51.887 0.2 . 1 . . . . 66 ASP CA . 11053 1 887 . 1 1 122 122 ASP CB C 13 42.097 0.2 . 1 . . . . 66 ASP CB . 11053 1 888 . 1 1 122 122 ASP N N 15 123.656 0.2 . 1 . . . . 66 ASP N . 11053 1 889 . 1 1 124 124 TYR H H 1 9.526 0.02 . 1 . . . . 68 TYR H . 11053 1 890 . 1 1 124 124 TYR HA H 1 4.426 0.02 . 1 . . . . 68 TYR HA . 11053 1 891 . 1 1 124 124 TYR HB2 H 1 3.166 0.02 . 2 . . . . 68 TYR HB2 . 11053 1 892 . 1 1 124 124 TYR HB3 H 1 3.166 0.02 . 2 . . . . 68 TYR HB3 . 11053 1 893 . 1 1 124 124 TYR CA C 13 53.537 0.2 . 1 . . . . 68 TYR CA . 11053 1 894 . 1 1 124 124 TYR CB C 13 40.437 0.2 . 1 . . . . 68 TYR CB . 11053 1 895 . 1 1 124 124 TYR N N 15 126.906 0.2 . 1 . . . . 68 TYR N . 11053 1 896 . 1 1 125 125 TRP H H 1 7.906 0.02 . 1 . . . . 69 TRP H . 11053 1 897 . 1 1 125 125 TRP HA H 1 4.376 0.02 . 1 . . . . 69 TRP HA . 11053 1 898 . 1 1 125 125 TRP HB2 H 1 3.046 0.02 . 2 . . . . 69 TRP HB2 . 11053 1 899 . 1 1 125 125 TRP HB3 H 1 3.046 0.02 . 2 . . . . 69 TRP HB3 . 11053 1 900 . 1 1 125 125 TRP CA C 13 57.107 0.2 . 1 . . . . 69 TRP CA . 11053 1 901 . 1 1 125 125 TRP CB C 13 30.577 0.2 . 1 . . . . 69 TRP CB . 11053 1 902 . 1 1 125 125 TRP N N 15 119.746 0.2 . 1 . . . . 69 TRP N . 11053 1 903 . 1 1 126 126 GLY H H 1 7.326 0.02 . 1 . . . . 70 GLY H . 11053 1 904 . 1 1 126 126 GLY HA2 H 1 3.896 0.02 . 2 . . . . 70 GLY HA2 . 11053 1 905 . 1 1 126 126 GLY HA3 H 1 3.896 0.02 . 2 . . . . 70 GLY HA3 . 11053 1 906 . 1 1 126 126 GLY CA C 13 46.147 0.2 . 1 . . . . 70 GLY CA . 11053 1 907 . 1 1 126 126 GLY N N 15 112.496 0.2 . 1 . . . . 70 GLY N . 11053 1 908 . 1 1 127 127 SER H H 1 8.056 0.02 . 1 . . . . 71 SER H . 11053 1 909 . 1 1 127 127 SER HA H 1 3.896 0.02 . 1 . . . . 71 SER HA . 11053 1 910 . 1 1 127 127 SER HB2 H 1 3.006 0.02 . 2 . . . . 71 SER HB2 . 11053 1 911 . 1 1 127 127 SER HB3 H 1 3.006 0.02 . 2 . . . . 71 SER HB3 . 11053 1 912 . 1 1 127 127 SER CA C 13 55.267 0.2 . 1 . . . . 71 SER CA . 11053 1 913 . 1 1 127 127 SER CB C 13 65.107 0.2 . 1 . . . . 71 SER CB . 11053 1 914 . 1 1 127 127 SER N N 15 111.126 0.2 . 1 . . . . 71 SER N . 11053 1 915 . 1 1 128 128 VAL H H 1 7.966 0.02 . 1 . . . . 72 VAL H . 11053 1 916 . 1 1 128 128 VAL HA H 1 4.126 0.02 . 1 . . . . 72 VAL HA . 11053 1 917 . 1 1 128 128 VAL HB H 1 1.296 0.02 . 1 . . . . 72 VAL HB . 11053 1 918 . 1 1 128 128 VAL HG11 H 1 0.386 0.02 . 2 . . . . 72 VAL MG1 . 11053 1 919 . 1 1 128 128 VAL HG12 H 1 0.386 0.02 . 2 . . . . 72 VAL MG1 . 11053 1 920 . 1 1 128 128 VAL HG13 H 1 0.386 0.02 . 2 . . . . 72 VAL MG1 . 11053 1 921 . 1 1 128 128 VAL HG21 H 1 -0.274 0.02 . 2 . . . . 72 VAL MG2 . 11053 1 922 . 1 1 128 128 VAL HG22 H 1 -0.274 0.02 . 2 . . . . 72 VAL MG2 . 11053 1 923 . 1 1 128 128 VAL HG23 H 1 -0.274 0.02 . 2 . . . . 72 VAL MG2 . 11053 1 924 . 1 1 128 128 VAL CA C 13 65.627 0.2 . 1 . . . . 72 VAL CA . 11053 1 925 . 1 1 128 128 VAL CB C 13 31.527 0.2 . 1 . . . . 72 VAL CB . 11053 1 926 . 1 1 128 128 VAL CG1 C 13 20.567 0.2 . 2 . . . . 72 VAL CG1 . 11053 1 927 . 1 1 128 128 VAL CG2 C 13 20.887 0.2 . 2 . . . . 72 VAL CG2 . 11053 1 928 . 1 1 128 128 VAL N N 15 130.416 0.2 . 1 . . . . 72 VAL N . 11053 1 929 . 1 1 129 129 LYS H H 1 7.726 0.02 . 1 . . . . 73 LYS H . 11053 1 930 . 1 1 129 129 LYS HA H 1 3.406 0.02 . 1 . . . . 73 LYS HA . 11053 1 931 . 1 1 129 129 LYS HB2 H 1 1.666 0.02 . 2 . . . . 73 LYS HB2 . 11053 1 932 . 1 1 129 129 LYS HB3 H 1 1.666 0.02 . 2 . . . . 73 LYS HB3 . 11053 1 933 . 1 1 129 129 LYS HG2 H 1 1.306 0.02 . 4 . . . . 73 LYS HG2 . 11053 1 934 . 1 1 129 129 LYS HG3 H 1 1.306 0.02 . 4 . . . . 73 LYS HG3 . 11053 1 935 . 1 1 129 129 LYS HD2 H 1 1.466 0.02 . 4 . . . . 73 LYS HD2 . 11053 1 936 . 1 1 129 129 LYS HD3 H 1 1.466 0.02 . 4 . . . . 73 LYS HD3 . 11053 1 937 . 1 1 129 129 LYS HE2 H 1 2.666 0.02 . 2 . . . . 73 LYS HE2 . 11053 1 938 . 1 1 129 129 LYS HE3 H 1 2.666 0.02 . 2 . . . . 73 LYS HE3 . 11053 1 939 . 1 1 129 129 LYS CA C 13 59.517 0.2 . 1 . . . . 73 LYS CA . 11053 1 940 . 1 1 129 129 LYS CB C 13 32.787 0.2 . 1 . . . . 73 LYS CB . 11053 1 941 . 1 1 129 129 LYS CG C 13 24.837 0.2 . 1 . . . . 73 LYS CG . 11053 1 942 . 1 1 129 129 LYS N N 15 119.866 0.2 . 1 . . . . 73 LYS N . 11053 1 943 . 1 1 130 130 GLU H H 1 7.186 0.02 . 1 . . . . 74 GLU H . 11053 1 944 . 1 1 130 130 GLU HA H 1 3.976 0.02 . 1 . . . . 74 GLU HA . 11053 1 945 . 1 1 130 130 GLU HB2 H 1 2.066 0.02 . 4 . . . . 74 GLU HB2 . 11053 1 946 . 1 1 130 130 GLU HB3 H 1 2.176 0.02 . 4 . . . . 74 GLU HB3 . 11053 1 947 . 1 1 130 130 GLU HG2 H 1 2.206 0.02 . 4 . . . . 74 GLU HG2 . 11053 1 948 . 1 1 130 130 GLU HG3 H 1 2.046 0.02 . 4 . . . . 74 GLU HG3 . 11053 1 949 . 1 1 130 130 GLU CA C 13 55.967 0.2 . 1 . . . . 74 GLU CA . 11053 1 950 . 1 1 130 130 GLU CB C 13 30.283 0.2 . 1 . . . . 74 GLU CB . 11053 1 951 . 1 1 130 130 GLU CG C 13 36.967 0.2 . 1 . . . . 74 GLU CG . 11053 1 952 . 1 1 130 130 GLU N N 15 108.936 0.2 . 1 . . . . 74 GLU N . 11053 1 953 . 1 1 131 131 ASP H H 1 7.776 0.02 . 1 . . . . 75 ASP H . 11053 1 954 . 1 1 131 131 ASP HA H 1 4.416 0.02 . 1 . . . . 75 ASP HA . 11053 1 955 . 1 1 131 131 ASP HB2 H 1 2.376 0.02 . 2 . . . . 75 ASP HB2 . 11053 1 956 . 1 1 131 131 ASP HB3 H 1 2.596 0.02 . 2 . . . . 75 ASP HB3 . 11053 1 957 . 1 1 131 131 ASP CA C 13 53.977 0.2 . 1 . . . . 75 ASP CA . 11053 1 958 . 1 1 131 131 ASP CB C 13 41.467 0.2 . 1 . . . . 75 ASP CB . 11053 1 959 . 1 1 131 131 ASP N N 15 118.656 0.2 . 1 . . . . 75 ASP N . 11053 1 960 . 1 1 132 132 ARG H H 1 7.766 0.02 . 1 . . . . 76 ARG H . 11053 1 961 . 1 1 132 132 ARG HA H 1 5.226 0.02 . 1 . . . . 76 ARG HA . 11053 1 962 . 1 1 132 132 ARG HB2 H 1 1.776 0.02 . 2 . . . . 76 ARG HB2 . 11053 1 963 . 1 1 132 132 ARG HB3 H 1 1.776 0.02 . 2 . . . . 76 ARG HB3 . 11053 1 964 . 1 1 132 132 ARG HG2 H 1 1.316 0.02 . 2 . . . . 76 ARG HG2 . 11053 1 965 . 1 1 132 132 ARG HG3 H 1 1.316 0.02 . 2 . . . . 76 ARG HG3 . 11053 1 966 . 1 1 132 132 ARG HD2 H 1 2.976 0.02 . 2 . . . . 76 ARG HD2 . 11053 1 967 . 1 1 132 132 ARG HD3 H 1 2.976 0.02 . 2 . . . . 76 ARG HD3 . 11053 1 968 . 1 1 132 132 ARG CA C 13 56.367 0.2 . 1 . . . . 76 ARG CA . 11053 1 969 . 1 1 132 132 ARG CB C 13 30.317 0.2 . 1 . . . . 76 ARG CB . 11053 1 970 . 1 1 132 132 ARG CG C 13 24.827 0.2 . 1 . . . . 76 ARG CG . 11053 1 971 . 1 1 132 132 ARG CD C 13 42.557 0.2 . 1 . . . . 76 ARG CD . 11053 1 972 . 1 1 132 132 ARG N N 15 113.126 0.2 . 1 . . . . 76 ARG N . 11053 1 973 . 1 1 133 133 LEU H H 1 8.436 0.02 . 1 . . . . 77 LEU H . 11053 1 974 . 1 1 133 133 LEU HA H 1 5.206 0.02 . 1 . . . . 77 LEU HA . 11053 1 975 . 1 1 133 133 LEU HB2 H 1 1.136 0.02 . 4 . . . . 77 LEU HB2 . 11053 1 976 . 1 1 133 133 LEU HB3 H 1 1.136 0.02 . 4 . . . . 77 LEU HB3 . 11053 1 977 . 1 1 133 133 LEU HG H 1 0.956 0.02 . 4 . . . . 77 LEU HG . 11053 1 978 . 1 1 133 133 LEU HD11 H 1 0.636 0.02 . 2 . . . . 77 LEU MD1 . 11053 1 979 . 1 1 133 133 LEU HD12 H 1 0.636 0.02 . 2 . . . . 77 LEU MD1 . 11053 1 980 . 1 1 133 133 LEU HD13 H 1 0.636 0.02 . 2 . . . . 77 LEU MD1 . 11053 1 981 . 1 1 133 133 LEU HD21 H 1 0.486 0.02 . 2 . . . . 77 LEU MD2 . 11053 1 982 . 1 1 133 133 LEU HD22 H 1 0.486 0.02 . 2 . . . . 77 LEU MD2 . 11053 1 983 . 1 1 133 133 LEU HD23 H 1 0.486 0.02 . 2 . . . . 77 LEU MD2 . 11053 1 984 . 1 1 133 133 LEU CA C 13 55.407 0.2 . 1 . . . . 77 LEU CA . 11053 1 985 . 1 1 133 133 LEU CB C 13 42.257 0.2 . 1 . . . . 77 LEU CB . 11053 1 986 . 1 1 133 133 LEU N N 15 123.086 0.2 . 1 . . . . 77 LEU N . 11053 1 987 . 1 1 134 134 CYS H H 1 9.776 0.02 . 1 . . . . 78 CYS H . 11053 1 988 . 1 1 134 134 CYS HA H 1 3.906 0.02 . 1 . . . . 78 CYS HA . 11053 1 989 . 1 1 134 134 CYS HB2 H 1 2.996 0.02 . 2 . . . . 78 CYS HB2 . 11053 1 990 . 1 1 134 134 CYS HB3 H 1 2.996 0.02 . 2 . . . . 78 CYS HB3 . 11053 1 991 . 1 1 134 134 CYS CA C 13 55.037 0.2 . 1 . . . . 78 CYS CA . 11053 1 992 . 1 1 134 134 CYS CB C 13 31.997 0.2 . 1 . . . . 78 CYS CB . 11053 1 993 . 1 1 134 134 CYS N N 15 120.246 0.2 . 1 . . . . 78 CYS N . 11053 1 994 . 1 1 135 135 TYR H H 1 9.296 0.02 . 1 . . . . 79 TYR H . 11053 1 995 . 1 1 135 135 TYR HA H 1 4.366 0.02 . 1 . . . . 79 TYR HA . 11053 1 996 . 1 1 135 135 TYR HB2 H 1 3.086 0.02 . 2 . . . . 79 TYR HB2 . 11053 1 997 . 1 1 135 135 TYR HB3 H 1 3.106 0.02 . 2 . . . . 79 TYR HB3 . 11053 1 998 . 1 1 135 135 TYR CA C 13 57.357 0.2 . 1 . . . . 79 TYR CA . 11053 1 999 . 1 1 135 135 TYR CB C 13 43.547 0.2 . 1 . . . . 79 TYR CB . 11053 1 1000 . 1 1 135 135 TYR N N 15 119.096 0.2 . 1 . . . . 79 TYR N . 11053 1 1001 . 1 1 136 136 GLY H H 1 8.106 0.02 . 1 . . . . 80 GLY H . 11053 1 1002 . 1 1 136 136 GLY HA2 H 1 3.586 0.02 . 2 . . . . 80 GLY HA2 . 11053 1 1003 . 1 1 136 136 GLY HA3 H 1 3.866 0.02 . 2 . . . . 80 GLY HA3 . 11053 1 1004 . 1 1 136 136 GLY CA C 13 45.267 0.2 . 1 . . . . 80 GLY CA . 11053 1 1005 . 1 1 136 136 GLY N N 15 108.506 0.2 . 1 . . . . 80 GLY N . 11053 1 1006 . 1 1 137 137 GLY H H 1 7.006 0.02 . 1 . . . . 81 GLY H . 11053 1 1007 . 1 1 137 137 GLY HA2 H 1 3.036 0.02 . 2 . . . . 81 GLY HA2 . 11053 1 1008 . 1 1 137 137 GLY HA3 H 1 2.936 0.02 . 2 . . . . 81 GLY HA3 . 11053 1 1009 . 1 1 137 137 GLY CA C 13 44.237 0.2 . 1 . . . . 81 GLY CA . 11053 1 1010 . 1 1 137 137 GLY N N 15 108.006 0.2 . 1 . . . . 81 GLY N . 11053 1 1011 . 1 1 139 139 TRP H H 1 7.066 0.02 . 1 . . . . 83 TRP H . 11053 1 1012 . 1 1 139 139 TRP HA H 1 3.926 0.02 . 1 . . . . 83 TRP HA . 11053 1 1013 . 1 1 139 139 TRP HB2 H 1 3.036 0.02 . 2 . . . . 83 TRP HB2 . 11053 1 1014 . 1 1 139 139 TRP HB3 H 1 3.036 0.02 . 2 . . . . 83 TRP HB3 . 11053 1 1015 . 1 1 139 139 TRP CA C 13 59.807 0.2 . 1 . . . . 83 TRP CA . 11053 1 1016 . 1 1 139 139 TRP CB C 13 30.027 0.2 . 1 . . . . 83 TRP CB . 11053 1 1017 . 1 1 139 139 TRP N N 15 119.966 0.2 . 1 . . . . 83 TRP N . 11053 1 1018 . 1 1 140 140 LYS H H 1 10.816 0.02 . 1 . . . . 84 LYS H . 11053 1 1019 . 1 1 140 140 LYS HA H 1 4.366 0.02 . 1 . . . . 84 LYS HA . 11053 1 1020 . 1 1 140 140 LYS HB2 H 1 1.686 0.02 . 2 . . . . 84 LYS HB2 . 11053 1 1021 . 1 1 140 140 LYS HB3 H 1 1.686 0.02 . 2 . . . . 84 LYS HB3 . 11053 1 1022 . 1 1 140 140 LYS HG2 H 1 0.866 0.02 . 2 . . . . 84 LYS HG2 . 11053 1 1023 . 1 1 140 140 LYS HG3 H 1 0.866 0.02 . 2 . . . . 84 LYS HG3 . 11053 1 1024 . 1 1 140 140 LYS HD2 H 1 1.536 0.02 . 2 . . . . 84 LYS HD2 . 11053 1 1025 . 1 1 140 140 LYS HD3 H 1 1.536 0.02 . 2 . . . . 84 LYS HD3 . 11053 1 1026 . 1 1 140 140 LYS HE2 H 1 3.026 0.02 . 2 . . . . 84 LYS HE2 . 11053 1 1027 . 1 1 140 140 LYS HE3 H 1 3.026 0.02 . 2 . . . . 84 LYS HE3 . 11053 1 1028 . 1 1 140 140 LYS CA C 13 54.517 0.2 . 1 . . . . 84 LYS CA . 11053 1 1029 . 1 1 140 140 LYS CB C 13 33.667 0.2 . 1 . . . . 84 LYS CB . 11053 1 1030 . 1 1 140 140 LYS N N 15 128.626 0.2 . 1 . . . . 84 LYS N . 11053 1 1031 . 1 1 141 141 LEU H H 1 5.906 0.02 . 1 . . . . 85 LEU H . 11053 1 1032 . 1 1 141 141 LEU HA H 1 3.946 0.02 . 1 . . . . 85 LEU HA . 11053 1 1033 . 1 1 141 141 LEU HB2 H 1 1.566 0.02 . 2 . . . . 85 LEU HB2 . 11053 1 1034 . 1 1 141 141 LEU HB3 H 1 1.566 0.02 . 2 . . . . 85 LEU HB3 . 11053 1 1035 . 1 1 141 141 LEU HG H 1 1.326 0.02 . 1 . . . . 85 LEU HG . 11053 1 1036 . 1 1 141 141 LEU HD11 H 1 0.276 0.02 . 2 . . . . 85 LEU MD1 . 11053 1 1037 . 1 1 141 141 LEU HD12 H 1 0.276 0.02 . 2 . . . . 85 LEU MD1 . 11053 1 1038 . 1 1 141 141 LEU HD13 H 1 0.276 0.02 . 2 . . . . 85 LEU MD1 . 11053 1 1039 . 1 1 141 141 LEU HD21 H 1 0.046 0.02 . 2 . . . . 85 LEU MD2 . 11053 1 1040 . 1 1 141 141 LEU HD22 H 1 0.046 0.02 . 2 . . . . 85 LEU MD2 . 11053 1 1041 . 1 1 141 141 LEU HD23 H 1 0.046 0.02 . 2 . . . . 85 LEU MD2 . 11053 1 1042 . 1 1 141 141 LEU CA C 13 55.057 0.2 . 1 . . . . 85 LEU CA . 11053 1 1043 . 1 1 141 141 LEU CB C 13 42.297 0.2 . 1 . . . . 85 LEU CB . 11053 1 1044 . 1 1 141 141 LEU CG C 13 27.717 0.2 . 1 . . . . 85 LEU CG . 11053 1 1045 . 1 1 141 141 LEU CD1 C 13 24.677 0.2 . 2 . . . . 85 LEU CD1 . 11053 1 1046 . 1 1 141 141 LEU CD2 C 13 25.767 0.2 . 2 . . . . 85 LEU CD2 . 11053 1 1047 . 1 1 141 141 LEU N N 15 117.366 0.2 . 1 . . . . 85 LEU N . 11053 1 1048 . 1 1 142 142 GLN H H 1 8.136 0.02 . 1 . . . . 86 GLN H . 11053 1 1049 . 1 1 142 142 GLN HA H 1 4.016 0.02 . 1 . . . . 86 GLN HA . 11053 1 1050 . 1 1 142 142 GLN HB2 H 1 1.786 0.02 . 2 . . . . 86 GLN HB2 . 11053 1 1051 . 1 1 142 142 GLN HB3 H 1 1.926 0.02 . 2 . . . . 86 GLN HB3 . 11053 1 1052 . 1 1 142 142 GLN HG2 H 1 2.336 0.02 . 2 . . . . 86 GLN HG2 . 11053 1 1053 . 1 1 142 142 GLN HG3 H 1 2.126 0.02 . 2 . . . . 86 GLN HG3 . 11053 1 1054 . 1 1 142 142 GLN CA C 13 53.147 0.2 . 1 . . . . 86 GLN CA . 11053 1 1055 . 1 1 142 142 GLN CB C 13 31.047 0.2 . 1 . . . . 86 GLN CB . 11053 1 1056 . 1 1 142 142 GLN N N 15 118.466 0.2 . 1 . . . . 86 GLN N . 11053 1 1057 . 1 1 144 144 LYS H H 1 8.456 0.02 . 1 . . . . 88 LYS H . 11053 1 1058 . 1 1 144 144 LYS HA H 1 5.186 0.02 . 1 . . . . 88 LYS HA . 11053 1 1059 . 1 1 144 144 LYS HB2 H 1 1.886 0.02 . 4 . . . . 88 LYS HB2 . 11053 1 1060 . 1 1 144 144 LYS HB3 H 1 1.656 0.02 . 4 . . . . 88 LYS HB3 . 11053 1 1061 . 1 1 144 144 LYS HG2 H 1 1.366 0.02 . 2 . . . . 88 LYS HG2 . 11053 1 1062 . 1 1 144 144 LYS HG3 H 1 1.366 0.02 . 2 . . . . 88 LYS HG3 . 11053 1 1063 . 1 1 144 144 LYS HD2 H 1 1.646 0.02 . 4 . . . . 88 LYS HD2 . 11053 1 1064 . 1 1 144 144 LYS HD3 H 1 1.646 0.02 . 4 . . . . 88 LYS HD3 . 11053 1 1065 . 1 1 144 144 LYS HE2 H 1 2.756 0.02 . 2 . . . . 88 LYS HE2 . 11053 1 1066 . 1 1 144 144 LYS HE3 H 1 2.756 0.02 . 2 . . . . 88 LYS HE3 . 11053 1 1067 . 1 1 144 144 LYS CA C 13 54.157 0.2 . 1 . . . . 88 LYS CA . 11053 1 1068 . 1 1 144 144 LYS CB C 13 36.867 0.2 . 1 . . . . 88 LYS CB . 11053 1 1069 . 1 1 144 144 LYS CG C 13 24.667 0.2 . 1 . . . . 88 LYS CG . 11053 1 1070 . 1 1 144 144 LYS CD C 13 29.487 0.2 . 1 . . . . 88 LYS CD . 11053 1 1071 . 1 1 144 144 LYS CE C 13 41.877 0.2 . 1 . . . . 88 LYS CE . 11053 1 1072 . 1 1 144 144 LYS N N 15 118.036 0.2 . 1 . . . . 88 LYS N . 11053 1 1073 . 1 1 145 145 TRP H H 1 9.746 0.02 . 1 . . . . 89 TRP H . 11053 1 1074 . 1 1 145 145 TRP HA H 1 4.696 0.02 . 1 . . . . 89 TRP HA . 11053 1 1075 . 1 1 145 145 TRP HB2 H 1 3.006 0.02 . 2 . . . . 89 TRP HB2 . 11053 1 1076 . 1 1 145 145 TRP HB3 H 1 3.006 0.02 . 2 . . . . 89 TRP HB3 . 11053 1 1077 . 1 1 145 145 TRP CA C 13 57.277 0.2 . 1 . . . . 89 TRP CA . 11053 1 1078 . 1 1 145 145 TRP CB C 13 29.827 0.2 . 1 . . . . 89 TRP CB . 11053 1 1079 . 1 1 145 145 TRP N N 15 123.946 0.2 . 1 . . . . 89 TRP N . 11053 1 1080 . 1 1 146 146 ASN H H 1 8.996 0.02 . 1 . . . . 90 ASN H . 11053 1 1081 . 1 1 146 146 ASN HA H 1 4.086 0.02 . 1 . . . . 90 ASN HA . 11053 1 1082 . 1 1 146 146 ASN HB2 H 1 2.746 0.02 . 2 . . . . 90 ASN HB2 . 11053 1 1083 . 1 1 146 146 ASN HB3 H 1 2.696 0.02 . 2 . . . . 90 ASN HB3 . 11053 1 1084 . 1 1 146 146 ASN CA C 13 52.917 0.2 . 1 . . . . 90 ASN CA . 11053 1 1085 . 1 1 146 146 ASN CB C 13 38.657 0.2 . 1 . . . . 90 ASN CB . 11053 1 1086 . 1 1 146 146 ASN N N 15 128.266 0.2 . 1 . . . . 90 ASN N . 11053 1 1087 . 1 1 148 148 HIS H H 1 7.456 0.02 . 1 . . . . 92 HIS H . 11053 1 1088 . 1 1 148 148 HIS HA H 1 4.906 0.02 . 1 . . . . 92 HIS HA . 11053 1 1089 . 1 1 148 148 HIS HB2 H 1 2.726 0.02 . 2 . . . . 92 HIS HB2 . 11053 1 1090 . 1 1 148 148 HIS HB3 H 1 2.866 0.02 . 2 . . . . 92 HIS HB3 . 11053 1 1091 . 1 1 148 148 HIS CA C 13 56.997 0.2 . 1 . . . . 92 HIS CA . 11053 1 1092 . 1 1 148 148 HIS CB C 13 32.317 0.2 . 1 . . . . 92 HIS CB . 11053 1 1093 . 1 1 148 148 HIS N N 15 114.476 0.2 . 1 . . . . 92 HIS N . 11053 1 1094 . 1 1 149 149 ASP H H 1 8.246 0.02 . 1 . . . . 93 ASP H . 11053 1 1095 . 1 1 149 149 ASP HA H 1 4.856 0.02 . 1 . . . . 93 ASP HA . 11053 1 1096 . 1 1 149 149 ASP HB2 H 1 2.636 0.02 . 2 . . . . 93 ASP HB2 . 11053 1 1097 . 1 1 149 149 ASP HB3 H 1 2.726 0.02 . 2 . . . . 93 ASP HB3 . 11053 1 1098 . 1 1 149 149 ASP CA C 13 55.547 0.2 . 1 . . . . 93 ASP CA . 11053 1 1099 . 1 1 149 149 ASP CB C 13 43.367 0.2 . 1 . . . . 93 ASP CB . 11053 1 1100 . 1 1 149 149 ASP N N 15 120.826 0.2 . 1 . . . . 93 ASP N . 11053 1 1101 . 1 1 150 150 GLU H H 1 8.666 0.02 . 1 . . . . 94 GLU H . 11053 1 1102 . 1 1 150 150 GLU HA H 1 4.536 0.02 . 1 . . . . 94 GLU HA . 11053 1 1103 . 1 1 150 150 GLU HB2 H 1 2.176 0.02 . 2 . . . . 94 GLU HB2 . 11053 1 1104 . 1 1 150 150 GLU HB3 H 1 2.056 0.02 . 2 . . . . 94 GLU HB3 . 11053 1 1105 . 1 1 150 150 GLU HG2 H 1 2.516 0.02 . 2 . . . . 94 GLU HG2 . 11053 1 1106 . 1 1 150 150 GLU HG3 H 1 2.196 0.02 . 2 . . . . 94 GLU HG3 . 11053 1 1107 . 1 1 150 150 GLU CA C 13 57.807 0.2 . 1 . . . . 94 GLU CA . 11053 1 1108 . 1 1 150 150 GLU CG C 13 38.377 0.2 . 1 . . . . 94 GLU CG . 11053 1 1109 . 1 1 150 150 GLU N N 15 116.556 0.2 . 1 . . . . 94 GLU N . 11053 1 1110 . 1 1 151 151 VAL H H 1 8.726 0.02 . 1 . . . . 95 VAL H . 11053 1 1111 . 1 1 151 151 VAL HA H 1 4.896 0.02 . 1 . . . . 95 VAL HA . 11053 1 1112 . 1 1 151 151 VAL HB H 1 2.166 0.02 . 1 . . . . 95 VAL HB . 11053 1 1113 . 1 1 151 151 VAL HG11 H 1 0.706 0.02 . 2 . . . . 95 VAL MG1 . 11053 1 1114 . 1 1 151 151 VAL HG12 H 1 0.706 0.02 . 2 . . . . 95 VAL MG1 . 11053 1 1115 . 1 1 151 151 VAL HG13 H 1 0.706 0.02 . 2 . . . . 95 VAL MG1 . 11053 1 1116 . 1 1 151 151 VAL HG21 H 1 0.276 0.02 . 2 . . . . 95 VAL MG2 . 11053 1 1117 . 1 1 151 151 VAL HG22 H 1 0.276 0.02 . 2 . . . . 95 VAL MG2 . 11053 1 1118 . 1 1 151 151 VAL HG23 H 1 0.276 0.02 . 2 . . . . 95 VAL MG2 . 11053 1 1119 . 1 1 151 151 VAL CA C 13 58.757 0.2 . 1 . . . . 95 VAL CA . 11053 1 1120 . 1 1 151 151 VAL CB C 13 36.857 0.2 . 1 . . . . 95 VAL CB . 11053 1 1121 . 1 1 151 151 VAL CG1 C 13 22.917 0.2 . 2 . . . . 95 VAL CG1 . 11053 1 1122 . 1 1 151 151 VAL CG2 C 13 18.617 0.2 . 2 . . . . 95 VAL CG2 . 11053 1 1123 . 1 1 151 151 VAL N N 15 110.836 0.2 . 1 . . . . 95 VAL N . 11053 1 1124 . 1 1 152 152 GLN H H 1 8.746 0.02 . 1 . . . . 96 GLN H . 11053 1 1125 . 1 1 152 152 GLN HA H 1 5.236 0.02 . 1 . . . . 96 GLN HA . 11053 1 1126 . 1 1 152 152 GLN HB2 H 1 2.206 0.02 . 2 . . . . 96 GLN HB2 . 11053 1 1127 . 1 1 152 152 GLN HB3 H 1 2.206 0.02 . 2 . . . . 96 GLN HB3 . 11053 1 1128 . 1 1 152 152 GLN CA C 13 53.567 0.2 . 1 . . . . 96 GLN CA . 11053 1 1129 . 1 1 152 152 GLN CB C 13 32.187 0.2 . 1 . . . . 96 GLN CB . 11053 1 1130 . 1 1 152 152 GLN N N 15 116.366 0.2 . 1 . . . . 96 GLN N . 11053 1 1131 . 1 1 153 153 MET H H 1 8.896 0.02 . 1 . . . . 97 MET H . 11053 1 1132 . 1 1 153 153 MET HA H 1 4.666 0.02 . 1 . . . . 97 MET HA . 11053 1 1133 . 1 1 153 153 MET HB2 H 1 1.726 0.02 . 2 . . . . 97 MET HB2 . 11053 1 1134 . 1 1 153 153 MET HB3 H 1 1.726 0.02 . 2 . . . . 97 MET HB3 . 11053 1 1135 . 1 1 153 153 MET HG2 H 1 2.106 0.02 . 2 . . . . 97 MET HG2 . 11053 1 1136 . 1 1 153 153 MET HG3 H 1 2.106 0.02 . 2 . . . . 97 MET HG3 . 11053 1 1137 . 1 1 153 153 MET HE1 H 1 1.166 0.02 . 1 . . . . 97 MET ME . 11053 1 1138 . 1 1 153 153 MET HE2 H 1 1.166 0.02 . 1 . . . . 97 MET ME . 11053 1 1139 . 1 1 153 153 MET HE3 H 1 1.166 0.02 . 1 . . . . 97 MET ME . 11053 1 1140 . 1 1 153 153 MET CA C 13 53.917 0.2 . 1 . . . . 97 MET CA . 11053 1 1141 . 1 1 153 153 MET CB C 13 31.767 0.2 . 1 . . . . 97 MET CB . 11053 1 1142 . 1 1 153 153 MET CG C 13 35.907 0.2 . 1 . . . . 97 MET CG . 11053 1 1143 . 1 1 153 153 MET CE C 13 19.347 0.2 . 1 . . . . 97 MET CE . 11053 1 1144 . 1 1 153 153 MET N N 15 120.876 0.2 . 1 . . . . 97 MET N . 11053 1 1145 . 1 1 154 154 ILE H H 1 8.336 0.02 . 1 . . . . 98 ILE H . 11053 1 1146 . 1 1 154 154 ILE HA H 1 4.836 0.02 . 1 . . . . 98 ILE HA . 11053 1 1147 . 1 1 154 154 ILE HB H 1 1.726 0.02 . 1 . . . . 98 ILE HB . 11053 1 1148 . 1 1 154 154 ILE HG12 H 1 1.356 0.02 . 2 . . . . 98 ILE HG12 . 11053 1 1149 . 1 1 154 154 ILE HG13 H 1 1.356 0.02 . 2 . . . . 98 ILE HG13 . 11053 1 1150 . 1 1 154 154 ILE HG21 H 1 0.746 0.02 . 1 . . . . 98 ILE MG . 11053 1 1151 . 1 1 154 154 ILE HG22 H 1 0.746 0.02 . 1 . . . . 98 ILE MG . 11053 1 1152 . 1 1 154 154 ILE HG23 H 1 0.746 0.02 . 1 . . . . 98 ILE MG . 11053 1 1153 . 1 1 154 154 ILE HD11 H 1 0.586 0.02 . 1 . . . . 98 ILE MD . 11053 1 1154 . 1 1 154 154 ILE HD12 H 1 0.586 0.02 . 1 . . . . 98 ILE MD . 11053 1 1155 . 1 1 154 154 ILE HD13 H 1 0.586 0.02 . 1 . . . . 98 ILE MD . 11053 1 1156 . 1 1 154 154 ILE CA C 13 61.567 0.2 . 1 . . . . 98 ILE CA . 11053 1 1157 . 1 1 154 154 ILE CB C 13 35.767 0.2 . 1 . . . . 98 ILE CB . 11053 1 1158 . 1 1 154 154 ILE CG1 C 13 31.047 0.2 . 1 . . . . 98 ILE CG1 . 11053 1 1159 . 1 1 154 154 ILE CG2 C 13 20.527 0.2 . 1 . . . . 98 ILE CG2 . 11053 1 1160 . 1 1 154 154 ILE CD1 C 13 17.067 0.2 . 1 . . . . 98 ILE CD1 . 11053 1 1161 . 1 1 154 154 ILE N N 15 129.676 0.2 . 1 . . . . 98 ILE N . 11053 1 1162 . 1 1 155 155 VAL H H 1 8.696 0.02 . 1 . . . . 99 VAL H . 11053 1 1163 . 1 1 155 155 VAL HA H 1 3.816 0.02 . 1 . . . . 99 VAL HA . 11053 1 1164 . 1 1 155 155 VAL HB H 1 1.716 0.02 . 1 . . . . 99 VAL HB . 11053 1 1165 . 1 1 155 155 VAL HG11 H 1 0.526 0.02 . 2 . . . . 99 VAL MG1 . 11053 1 1166 . 1 1 155 155 VAL HG12 H 1 0.526 0.02 . 2 . . . . 99 VAL MG1 . 11053 1 1167 . 1 1 155 155 VAL HG13 H 1 0.526 0.02 . 2 . . . . 99 VAL MG1 . 11053 1 1168 . 1 1 155 155 VAL HG21 H 1 -0.174 0.02 . 2 . . . . 99 VAL MG2 . 11053 1 1169 . 1 1 155 155 VAL HG22 H 1 -0.174 0.02 . 2 . . . . 99 VAL MG2 . 11053 1 1170 . 1 1 155 155 VAL HG23 H 1 -0.174 0.02 . 2 . . . . 99 VAL MG2 . 11053 1 1171 . 1 1 155 155 VAL CA C 13 64.017 0.2 . 1 . . . . 99 VAL CA . 11053 1 1172 . 1 1 155 155 VAL CB C 13 32.047 0.2 . 1 . . . . 99 VAL CB . 11053 1 1173 . 1 1 155 155 VAL CG1 C 13 20.427 0.2 . 2 . . . . 99 VAL CG1 . 11053 1 1174 . 1 1 155 155 VAL CG2 C 13 21.037 0.2 . 2 . . . . 99 VAL CG2 . 11053 1 1175 . 1 1 155 155 VAL N N 15 124.076 0.2 . 1 . . . . 99 VAL N . 11053 1 1176 . 1 1 156 156 VAL H H 1 7.626 0.02 . 1 . . . . 100 VAL H . 11053 1 1177 . 1 1 156 156 VAL HA H 1 4.056 0.02 . 1 . . . . 100 VAL HA . 11053 1 1178 . 1 1 156 156 VAL HB H 1 1.316 0.02 . 1 . . . . 100 VAL HB . 11053 1 1179 . 1 1 156 156 VAL HG11 H 1 0.846 0.02 . 2 . . . . 100 VAL MG1 . 11053 1 1180 . 1 1 156 156 VAL HG12 H 1 0.846 0.02 . 2 . . . . 100 VAL MG1 . 11053 1 1181 . 1 1 156 156 VAL HG13 H 1 0.846 0.02 . 2 . . . . 100 VAL MG1 . 11053 1 1182 . 1 1 156 156 VAL HG21 H 1 0.716 0.02 . 2 . . . . 100 VAL MG2 . 11053 1 1183 . 1 1 156 156 VAL HG22 H 1 0.716 0.02 . 2 . . . . 100 VAL MG2 . 11053 1 1184 . 1 1 156 156 VAL HG23 H 1 0.716 0.02 . 2 . . . . 100 VAL MG2 . 11053 1 1185 . 1 1 156 156 VAL CA C 13 59.367 0.2 . 1 . . . . 100 VAL CA . 11053 1 1186 . 1 1 156 156 VAL CB C 13 32.817 0.2 . 1 . . . . 100 VAL CB . 11053 1 1187 . 1 1 156 156 VAL CG1 C 13 22.897 0.2 . 2 . . . . 100 VAL CG1 . 11053 1 1188 . 1 1 156 156 VAL CG2 C 13 24.517 0.2 . 2 . . . . 100 VAL CG2 . 11053 1 1189 . 1 1 156 156 VAL N N 15 133.706 0.2 . 1 . . . . 100 VAL N . 11053 1 1190 . 1 1 157 157 GLU H H 1 7.446 0.02 . 1 . . . . 101 GLU H . 11053 1 1191 . 1 1 157 157 GLU HA H 1 4.416 0.02 . 1 . . . . 101 GLU HA . 11053 1 1192 . 1 1 157 157 GLU HB2 H 1 1.756 0.02 . 2 . . . . 101 GLU HB2 . 11053 1 1193 . 1 1 157 157 GLU HB3 H 1 1.566 0.02 . 2 . . . . 101 GLU HB3 . 11053 1 1194 . 1 1 157 157 GLU HG2 H 1 2.006 0.02 . 2 . . . . 101 GLU HG2 . 11053 1 1195 . 1 1 157 157 GLU HG3 H 1 2.156 0.02 . 2 . . . . 101 GLU HG3 . 11053 1 1196 . 1 1 157 157 GLU CA C 13 54.027 0.2 . 1 . . . . 101 GLU CA . 11053 1 1197 . 1 1 157 157 GLU CB C 13 30.027 0.2 . 1 . . . . 101 GLU CB . 11053 1 1198 . 1 1 157 157 GLU CG C 13 36.107 0.2 . 1 . . . . 101 GLU CG . 11053 1 1199 . 1 1 157 157 GLU N N 15 125.146 0.2 . 1 . . . . 101 GLU N . 11053 1 1200 . 1 1 159 159 GLY H H 1 8.866 0.02 . 1 . . . . 103 GLY H . 11053 1 1201 . 1 1 159 159 GLY HA2 H 1 3.936 0.02 . 2 . . . . 103 GLY HA2 . 11053 1 1202 . 1 1 159 159 GLY HA3 H 1 3.616 0.02 . 2 . . . . 103 GLY HA3 . 11053 1 1203 . 1 1 159 159 GLY CA C 13 45.867 0.2 . 1 . . . . 103 GLY CA . 11053 1 1204 . 1 1 159 159 GLY N N 15 111.726 0.2 . 1 . . . . 103 GLY N . 11053 1 1205 . 1 1 160 160 LYS H H 1 7.506 0.02 . 1 . . . . 104 LYS H . 11053 1 1206 . 1 1 160 160 LYS HA H 1 4.426 0.02 . 1 . . . . 104 LYS HA . 11053 1 1207 . 1 1 160 160 LYS HB2 H 1 1.756 0.02 . 2 . . . . 104 LYS HB2 . 11053 1 1208 . 1 1 160 160 LYS HB3 H 1 1.756 0.02 . 2 . . . . 104 LYS HB3 . 11053 1 1209 . 1 1 160 160 LYS HG2 H 1 1.136 0.02 . 2 . . . . 104 LYS HG2 . 11053 1 1210 . 1 1 160 160 LYS HG3 H 1 1.136 0.02 . 2 . . . . 104 LYS HG3 . 11053 1 1211 . 1 1 160 160 LYS HD2 H 1 1.456 0.02 . 2 . . . . 104 LYS HD2 . 11053 1 1212 . 1 1 160 160 LYS HD3 H 1 1.456 0.02 . 2 . . . . 104 LYS HD3 . 11053 1 1213 . 1 1 160 160 LYS HE2 H 1 2.836 0.02 . 2 . . . . 104 LYS HE2 . 11053 1 1214 . 1 1 160 160 LYS HE3 H 1 2.836 0.02 . 2 . . . . 104 LYS HE3 . 11053 1 1215 . 1 1 160 160 LYS CA C 13 53.507 0.2 . 1 . . . . 104 LYS CA . 11053 1 1216 . 1 1 160 160 LYS CB C 13 36.127 0.2 . 1 . . . . 104 LYS CB . 11053 1 1217 . 1 1 160 160 LYS CG C 13 24.647 0.2 . 1 . . . . 104 LYS CG . 11053 1 1218 . 1 1 160 160 LYS N N 15 118.056 0.2 . 1 . . . . 104 LYS N . 11053 1 1219 . 1 1 161 161 ASN H H 1 8.536 0.02 . 1 . . . . 105 ASN H . 11053 1 1220 . 1 1 161 161 ASN HA H 1 4.436 0.02 . 1 . . . . 105 ASN HA . 11053 1 1221 . 1 1 161 161 ASN HB2 H 1 2.536 0.02 . 2 . . . . 105 ASN HB2 . 11053 1 1222 . 1 1 161 161 ASN HB3 H 1 2.746 0.02 . 2 . . . . 105 ASN HB3 . 11053 1 1223 . 1 1 161 161 ASN CA C 13 53.277 0.2 . 1 . . . . 105 ASN CA . 11053 1 1224 . 1 1 161 161 ASN CB C 13 42.477 0.2 . 1 . . . . 105 ASN CB . 11053 1 1225 . 1 1 161 161 ASN N N 15 119.606 0.2 . 1 . . . . 105 ASN N . 11053 1 1226 . 1 1 162 162 VAL H H 1 8.576 0.02 . 1 . . . . 106 VAL H . 11053 1 1227 . 1 1 162 162 VAL HA H 1 3.916 0.02 . 1 . . . . 106 VAL HA . 11053 1 1228 . 1 1 162 162 VAL HB H 1 1.756 0.02 . 1 . . . . 106 VAL HB . 11053 1 1229 . 1 1 162 162 VAL HG11 H 1 0.846 0.02 . 2 . . . . 106 VAL MG1 . 11053 1 1230 . 1 1 162 162 VAL HG12 H 1 0.846 0.02 . 2 . . . . 106 VAL MG1 . 11053 1 1231 . 1 1 162 162 VAL HG13 H 1 0.846 0.02 . 2 . . . . 106 VAL MG1 . 11053 1 1232 . 1 1 162 162 VAL HG21 H 1 0.626 0.02 . 2 . . . . 106 VAL MG2 . 11053 1 1233 . 1 1 162 162 VAL HG22 H 1 0.626 0.02 . 2 . . . . 106 VAL MG2 . 11053 1 1234 . 1 1 162 162 VAL HG23 H 1 0.626 0.02 . 2 . . . . 106 VAL MG2 . 11053 1 1235 . 1 1 162 162 VAL CA C 13 63.877 0.2 . 1 . . . . 106 VAL CA . 11053 1 1236 . 1 1 162 162 VAL CB C 13 32.107 0.2 . 1 . . . . 106 VAL CB . 11053 1 1237 . 1 1 162 162 VAL CG1 C 13 23.687 0.2 . 2 . . . . 106 VAL CG1 . 11053 1 1238 . 1 1 162 162 VAL CG2 C 13 22.417 0.2 . 2 . . . . 106 VAL CG2 . 11053 1 1239 . 1 1 162 162 VAL N N 15 124.226 0.2 . 1 . . . . 106 VAL N . 11053 1 1240 . 1 1 163 163 LYS H H 1 7.416 0.02 . 1 . . . . 107 LYS H . 11053 1 1241 . 1 1 163 163 LYS HA H 1 4.546 0.02 . 1 . . . . 107 LYS HA . 11053 1 1242 . 1 1 163 163 LYS HB2 H 1 1.736 0.02 . 2 . . . . 107 LYS HB2 . 11053 1 1243 . 1 1 163 163 LYS HB3 H 1 1.736 0.02 . 2 . . . . 107 LYS HB3 . 11053 1 1244 . 1 1 163 163 LYS HG2 H 1 1.246 0.02 . 2 . . . . 107 LYS HG2 . 11053 1 1245 . 1 1 163 163 LYS HG3 H 1 1.246 0.02 . 2 . . . . 107 LYS HG3 . 11053 1 1246 . 1 1 163 163 LYS HD2 H 1 1.616 0.02 . 2 . . . . 107 LYS HD2 . 11053 1 1247 . 1 1 163 163 LYS HD3 H 1 1.616 0.02 . 2 . . . . 107 LYS HD3 . 11053 1 1248 . 1 1 163 163 LYS HE2 H 1 2.776 0.02 . 2 . . . . 107 LYS HE2 . 11053 1 1249 . 1 1 163 163 LYS HE3 H 1 2.776 0.02 . 2 . . . . 107 LYS HE3 . 11053 1 1250 . 1 1 163 163 LYS CA C 13 54.707 0.2 . 1 . . . . 107 LYS CA . 11053 1 1251 . 1 1 163 163 LYS CB C 13 29.857 0.2 . 1 . . . . 107 LYS CB . 11053 1 1252 . 1 1 163 163 LYS CG C 13 27.387 0.2 . 1 . . . . 107 LYS CG . 11053 1 1253 . 1 1 163 163 LYS CD C 13 29.527 0.2 . 1 . . . . 107 LYS CD . 11053 1 1254 . 1 1 163 163 LYS N N 15 123.056 0.2 . 1 . . . . 107 LYS N . 11053 1 1255 . 1 1 164 164 ASN H H 1 8.516 0.02 . 1 . . . . 108 ASN H . 11053 1 1256 . 1 1 164 164 ASN HA H 1 4.836 0.02 . 1 . . . . 108 ASN HA . 11053 1 1257 . 1 1 164 164 ASN HB2 H 1 2.266 0.02 . 2 . . . . 108 ASN HB2 . 11053 1 1258 . 1 1 164 164 ASN HB3 H 1 1.956 0.02 . 2 . . . . 108 ASN HB3 . 11053 1 1259 . 1 1 164 164 ASN CA C 13 51.757 0.2 . 1 . . . . 108 ASN CA . 11053 1 1260 . 1 1 164 164 ASN CB C 13 42.267 0.2 . 1 . . . . 108 ASN CB . 11053 1 1261 . 1 1 164 164 ASN N N 15 121.786 0.2 . 1 . . . . 108 ASN N . 11053 1 1262 . 1 1 165 165 VAL H H 1 8.356 0.02 . 1 . . . . 109 VAL H . 11053 1 1263 . 1 1 165 165 VAL HA H 1 4.426 0.02 . 1 . . . . 109 VAL HA . 11053 1 1264 . 1 1 165 165 VAL HB H 1 1.706 0.02 . 1 . . . . 109 VAL HB . 11053 1 1265 . 1 1 165 165 VAL HG11 H 1 0.746 0.02 . 2 . . . . 109 VAL MG1 . 11053 1 1266 . 1 1 165 165 VAL HG12 H 1 0.746 0.02 . 2 . . . . 109 VAL MG1 . 11053 1 1267 . 1 1 165 165 VAL HG13 H 1 0.746 0.02 . 2 . . . . 109 VAL MG1 . 11053 1 1268 . 1 1 165 165 VAL HG21 H 1 0.886 0.02 . 2 . . . . 109 VAL MG2 . 11053 1 1269 . 1 1 165 165 VAL HG22 H 1 0.886 0.02 . 2 . . . . 109 VAL MG2 . 11053 1 1270 . 1 1 165 165 VAL HG23 H 1 0.886 0.02 . 2 . . . . 109 VAL MG2 . 11053 1 1271 . 1 1 165 165 VAL CA C 13 60.527 0.2 . 1 . . . . 109 VAL CA . 11053 1 1272 . 1 1 165 165 VAL CB C 13 35.337 0.2 . 1 . . . . 109 VAL CB . 11053 1 1273 . 1 1 165 165 VAL CG1 C 13 21.937 0.2 . 2 . . . . 109 VAL CG1 . 11053 1 1274 . 1 1 165 165 VAL CG2 C 13 21.937 0.2 . 2 . . . . 109 VAL CG2 . 11053 1 1275 . 1 1 165 165 VAL N N 15 115.966 0.2 . 1 . . . . 109 VAL N . 11053 1 1276 . 1 1 166 166 GLN H H 1 9.196 0.02 . 1 . . . . 110 GLN H . 11053 1 1277 . 1 1 166 166 GLN HA H 1 4.816 0.02 . 1 . . . . 110 GLN HA . 11053 1 1278 . 1 1 166 166 GLN HB2 H 1 1.516 0.02 . 2 . . . . 110 GLN HB2 . 11053 1 1279 . 1 1 166 166 GLN HB3 H 1 1.706 0.02 . 2 . . . . 110 GLN HB3 . 11053 1 1280 . 1 1 166 166 GLN HG2 H 1 2.066 0.02 . 2 . . . . 110 GLN HG2 . 11053 1 1281 . 1 1 166 166 GLN HG3 H 1 2.186 0.02 . 2 . . . . 110 GLN HG3 . 11053 1 1282 . 1 1 166 166 GLN CA C 13 53.977 0.2 . 1 . . . . 110 GLN CA . 11053 1 1283 . 1 1 166 166 GLN CB C 13 30.017 0.2 . 1 . . . . 110 GLN CB . 11053 1 1284 . 1 1 166 166 GLN CG C 13 36.137 0.2 . 1 . . . . 110 GLN CG . 11053 1 1285 . 1 1 166 166 GLN N N 15 127.526 0.2 . 1 . . . . 110 GLN N . 11053 1 1286 . 1 1 167 167 THR H H 1 8.776 0.02 . 1 . . . . 111 THR H . 11053 1 1287 . 1 1 167 167 THR HA H 1 4.836 0.02 . 1 . . . . 111 THR HA . 11053 1 1288 . 1 1 167 167 THR HB H 1 3.806 0.02 . 1 . . . . 111 THR HB . 11053 1 1289 . 1 1 167 167 THR HG21 H 1 0.766 0.02 . 1 . . . . 111 THR MG . 11053 1 1290 . 1 1 167 167 THR HG22 H 1 0.766 0.02 . 1 . . . . 111 THR MG . 11053 1 1291 . 1 1 167 167 THR HG23 H 1 0.766 0.02 . 1 . . . . 111 THR MG . 11053 1 1292 . 1 1 167 167 THR CA C 13 60.537 0.2 . 1 . . . . 111 THR CA . 11053 1 1293 . 1 1 167 167 THR CB C 13 70.277 0.2 . 1 . . . . 111 THR CB . 11053 1 1294 . 1 1 167 167 THR CG2 C 13 21.977 0.2 . 1 . . . . 111 THR CG2 . 11053 1 1295 . 1 1 167 167 THR N N 15 117.356 0.2 . 1 . . . . 111 THR N . 11053 1 1296 . 1 1 168 168 LYS H H 1 7.976 0.02 . 1 . . . . 112 LYS H . 11053 1 1297 . 1 1 168 168 LYS HA H 1 4.926 0.02 . 1 . . . . 112 LYS HA . 11053 1 1298 . 1 1 168 168 LYS HB2 H 1 1.936 0.02 . 4 . . . . 112 LYS HB2 . 11053 1 1299 . 1 1 168 168 LYS HB3 H 1 1.676 0.02 . 4 . . . . 112 LYS HB3 . 11053 1 1300 . 1 1 168 168 LYS HG2 H 1 1.496 0.02 . 2 . . . . 112 LYS HG2 . 11053 1 1301 . 1 1 168 168 LYS HG3 H 1 1.316 0.02 . 2 . . . . 112 LYS HG3 . 11053 1 1302 . 1 1 168 168 LYS HD2 H 1 1.746 0.02 . 4 . . . . 112 LYS HD2 . 11053 1 1303 . 1 1 168 168 LYS HD3 H 1 1.746 0.02 . 4 . . . . 112 LYS HD3 . 11053 1 1304 . 1 1 168 168 LYS CA C 13 52.717 0.2 . 1 . . . . 112 LYS CA . 11053 1 1305 . 1 1 168 168 LYS CB C 13 33.117 0.2 . 1 . . . . 112 LYS CB . 11053 1 1306 . 1 1 168 168 LYS CG C 13 24.997 0.2 . 1 . . . . 112 LYS CG . 11053 1 1307 . 1 1 168 168 LYS CD C 13 29.247 0.2 . 1 . . . . 112 LYS CD . 11053 1 1308 . 1 1 168 168 LYS N N 15 128.506 0.2 . 1 . . . . 112 LYS N . 11053 1 1309 . 1 1 170 170 GLY H H 1 8.166 0.02 . 1 . . . . 114 GLY H . 11053 1 1310 . 1 1 170 170 GLY HA2 H 1 4.156 0.02 . 2 . . . . 114 GLY HA2 . 11053 1 1311 . 1 1 170 170 GLY HA3 H 1 4.156 0.02 . 2 . . . . 114 GLY HA3 . 11053 1 1312 . 1 1 170 170 GLY CA C 13 43.987 0.2 . 1 . . . . 114 GLY CA . 11053 1 1313 . 1 1 170 170 GLY N N 15 109.606 0.2 . 1 . . . . 114 GLY N . 11053 1 1314 . 1 1 171 171 VAL H H 1 8.236 0.02 . 1 . . . . 115 VAL H . 11053 1 1315 . 1 1 171 171 VAL HA H 1 4.906 0.02 . 1 . . . . 115 VAL HA . 11053 1 1316 . 1 1 171 171 VAL HB H 1 1.786 0.02 . 1 . . . . 115 VAL HB . 11053 1 1317 . 1 1 171 171 VAL HG11 H 1 0.866 0.02 . 2 . . . . 115 VAL MG1 . 11053 1 1318 . 1 1 171 171 VAL HG12 H 1 0.866 0.02 . 2 . . . . 115 VAL MG1 . 11053 1 1319 . 1 1 171 171 VAL HG13 H 1 0.866 0.02 . 2 . . . . 115 VAL MG1 . 11053 1 1320 . 1 1 171 171 VAL HG21 H 1 -0.074 0.02 . 2 . . . . 115 VAL MG2 . 11053 1 1321 . 1 1 171 171 VAL HG22 H 1 -0.074 0.02 . 2 . . . . 115 VAL MG2 . 11053 1 1322 . 1 1 171 171 VAL HG23 H 1 -0.074 0.02 . 2 . . . . 115 VAL MG2 . 11053 1 1323 . 1 1 171 171 VAL CA C 13 60.457 0.2 . 1 . . . . 115 VAL CA . 11053 1 1324 . 1 1 171 171 VAL CB C 13 35.887 0.2 . 1 . . . . 115 VAL CB . 11053 1 1325 . 1 1 171 171 VAL CG1 C 13 20.407 0.2 . 2 . . . . 115 VAL CG1 . 11053 1 1326 . 1 1 171 171 VAL CG2 C 13 20.627 0.2 . 2 . . . . 115 VAL CG2 . 11053 1 1327 . 1 1 171 171 VAL N N 15 114.246 0.2 . 1 . . . . 115 VAL N . 11053 1 1328 . 1 1 172 172 PHE H H 1 9.396 0.02 . 1 . . . . 116 PHE H . 11053 1 1329 . 1 1 172 172 PHE HA H 1 5.396 0.02 . 1 . . . . 116 PHE HA . 11053 1 1330 . 1 1 172 172 PHE HB2 H 1 3.046 0.02 . 2 . . . . 116 PHE HB2 . 11053 1 1331 . 1 1 172 172 PHE HB3 H 1 3.046 0.02 . 2 . . . . 116 PHE HB3 . 11053 1 1332 . 1 1 172 172 PHE CA C 13 51.917 0.2 . 1 . . . . 116 PHE CA . 11053 1 1333 . 1 1 172 172 PHE CB C 13 38.477 0.2 . 1 . . . . 116 PHE CB . 11053 1 1334 . 1 1 172 172 PHE N N 15 123.706 0.2 . 1 . . . . 116 PHE N . 11053 1 1335 . 1 1 173 173 LYS H H 1 9.076 0.02 . 1 . . . . 117 LYS H . 11053 1 1336 . 1 1 173 173 LYS HA H 1 5.266 0.02 . 1 . . . . 117 LYS HA . 11053 1 1337 . 1 1 173 173 LYS HB2 H 1 2.046 0.02 . 2 . . . . 117 LYS HB2 . 11053 1 1338 . 1 1 173 173 LYS HB3 H 1 1.826 0.02 . 2 . . . . 117 LYS HB3 . 11053 1 1339 . 1 1 173 173 LYS HG2 H 1 1.576 0.02 . 2 . . . . 117 LYS HG2 . 11053 1 1340 . 1 1 173 173 LYS HG3 H 1 1.576 0.02 . 2 . . . . 117 LYS HG3 . 11053 1 1341 . 1 1 173 173 LYS HD2 H 1 1.816 0.02 . 2 . . . . 117 LYS HD2 . 11053 1 1342 . 1 1 173 173 LYS HD3 H 1 1.816 0.02 . 2 . . . . 117 LYS HD3 . 11053 1 1343 . 1 1 173 173 LYS HE2 H 1 2.866 0.02 . 2 . . . . 117 LYS HE2 . 11053 1 1344 . 1 1 173 173 LYS HE3 H 1 2.866 0.02 . 2 . . . . 117 LYS HE3 . 11053 1 1345 . 1 1 173 173 LYS CA C 13 55.867 0.2 . 1 . . . . 117 LYS CA . 11053 1 1346 . 1 1 173 173 LYS CB C 13 32.397 0.2 . 1 . . . . 117 LYS CB . 11053 1 1347 . 1 1 173 173 LYS CG C 13 27.267 0.2 . 1 . . . . 117 LYS CG . 11053 1 1348 . 1 1 173 173 LYS CD C 13 30.427 0.2 . 1 . . . . 117 LYS CD . 11053 1 1349 . 1 1 173 173 LYS CE C 13 43.697 0.2 . 1 . . . . 117 LYS CE . 11053 1 1350 . 1 1 173 173 LYS N N 15 126.206 0.2 . 1 . . . . 117 LYS N . 11053 1 1351 . 1 1 174 174 THR H H 1 7.966 0.02 . 1 . . . . 118 THR H . 11053 1 1352 . 1 1 174 174 THR HA H 1 4.486 0.02 . 1 . . . . 118 THR HA . 11053 1 1353 . 1 1 174 174 THR HB H 1 3.976 0.02 . 1 . . . . 118 THR HB . 11053 1 1354 . 1 1 174 174 THR HG21 H 1 1.216 0.02 . 1 . . . . 118 THR MG . 11053 1 1355 . 1 1 174 174 THR HG22 H 1 1.216 0.02 . 1 . . . . 118 THR MG . 11053 1 1356 . 1 1 174 174 THR HG23 H 1 1.216 0.02 . 1 . . . . 118 THR MG . 11053 1 1357 . 1 1 174 174 THR CA C 13 59.297 0.2 . 1 . . . . 118 THR CA . 11053 1 1358 . 1 1 174 174 THR CB C 13 71.477 0.2 . 1 . . . . 118 THR CB . 11053 1 1359 . 1 1 174 174 THR CG2 C 13 21.697 0.2 . 1 . . . . 118 THR CG2 . 11053 1 1360 . 1 1 174 174 THR N N 15 118.886 0.2 . 1 . . . . 118 THR N . 11053 1 1361 . 1 1 176 176 GLU H H 1 7.776 0.02 . 1 . . . . 120 GLU H . 11053 1 1362 . 1 1 176 176 GLU HA H 1 4.326 0.02 . 1 . . . . 120 GLU HA . 11053 1 1363 . 1 1 176 176 GLU HB2 H 1 2.066 0.02 . 4 . . . . 120 GLU HB2 . 11053 1 1364 . 1 1 176 176 GLU HB3 H 1 2.066 0.02 . 4 . . . . 120 GLU HB3 . 11053 1 1365 . 1 1 176 176 GLU HG2 H 1 2.176 0.02 . 4 . . . . 120 GLU HG2 . 11053 1 1366 . 1 1 176 176 GLU HG3 H 1 2.066 0.02 . 4 . . . . 120 GLU HG3 . 11053 1 1367 . 1 1 176 176 GLU CA C 13 56.277 0.2 . 1 . . . . 120 GLU CA . 11053 1 1368 . 1 1 176 176 GLU CB C 13 30.287 0.2 . 1 . . . . 120 GLU CB . 11053 1 1369 . 1 1 176 176 GLU CG C 13 36.367 0.2 . 1 . . . . 120 GLU CG . 11053 1 1370 . 1 1 176 176 GLU N N 15 113.146 0.2 . 1 . . . . 120 GLU N . 11053 1 1371 . 1 1 177 177 GLY H H 1 7.546 0.02 . 1 . . . . 121 GLY H . 11053 1 1372 . 1 1 177 177 GLY HA2 H 1 4.466 0.02 . 2 . . . . 121 GLY HA2 . 11053 1 1373 . 1 1 177 177 GLY HA3 H 1 3.836 0.02 . 2 . . . . 121 GLY HA3 . 11053 1 1374 . 1 1 177 177 GLY CA C 13 44.637 0.2 . 1 . . . . 121 GLY CA . 11053 1 1375 . 1 1 177 177 GLY N N 15 108.406 0.2 . 1 . . . . 121 GLY N . 11053 1 1376 . 1 1 178 178 GLU H H 1 8.586 0.02 . 1 . . . . 122 GLU H . 11053 1 1377 . 1 1 178 178 GLU HA H 1 4.466 0.02 . 1 . . . . 122 GLU HA . 11053 1 1378 . 1 1 178 178 GLU HB2 H 1 1.876 0.02 . 2 . . . . 122 GLU HB2 . 11053 1 1379 . 1 1 178 178 GLU HB3 H 1 1.876 0.02 . 2 . . . . 122 GLU HB3 . 11053 1 1380 . 1 1 178 178 GLU HG2 H 1 2.006 0.02 . 2 . . . . 122 GLU HG2 . 11053 1 1381 . 1 1 178 178 GLU HG3 H 1 2.176 0.02 . 2 . . . . 122 GLU HG3 . 11053 1 1382 . 1 1 178 178 GLU CA C 13 55.937 0.2 . 1 . . . . 122 GLU CA . 11053 1 1383 . 1 1 178 178 GLU CB C 13 33.027 0.2 . 1 . . . . 122 GLU CB . 11053 1 1384 . 1 1 178 178 GLU CG C 13 37.367 0.2 . 1 . . . . 122 GLU CG . 11053 1 1385 . 1 1 178 178 GLU N N 15 120.876 0.2 . 1 . . . . 122 GLU N . 11053 1 1386 . 1 1 179 179 ILE H H 1 9.126 0.02 . 1 . . . . 123 ILE H . 11053 1 1387 . 1 1 179 179 ILE HA H 1 4.576 0.02 . 1 . . . . 123 ILE HA . 11053 1 1388 . 1 1 179 179 ILE HB H 1 1.836 0.02 . 1 . . . . 123 ILE HB . 11053 1 1389 . 1 1 179 179 ILE HG12 H 1 1.186 0.02 . 2 . . . . 123 ILE HG12 . 11053 1 1390 . 1 1 179 179 ILE HG13 H 1 1.186 0.02 . 2 . . . . 123 ILE HG13 . 11053 1 1391 . 1 1 179 179 ILE HG21 H 1 1.086 0.02 . 1 . . . . 123 ILE MG . 11053 1 1392 . 1 1 179 179 ILE HG22 H 1 1.086 0.02 . 1 . . . . 123 ILE MG . 11053 1 1393 . 1 1 179 179 ILE HG23 H 1 1.086 0.02 . 1 . . . . 123 ILE MG . 11053 1 1394 . 1 1 179 179 ILE HD11 H 1 0.866 0.02 . 1 . . . . 123 ILE MD . 11053 1 1395 . 1 1 179 179 ILE HD12 H 1 0.866 0.02 . 1 . . . . 123 ILE MD . 11053 1 1396 . 1 1 179 179 ILE HD13 H 1 0.866 0.02 . 1 . . . . 123 ILE MD . 11053 1 1397 . 1 1 179 179 ILE CA C 13 60.227 0.2 . 1 . . . . 123 ILE CA . 11053 1 1398 . 1 1 179 179 ILE CB C 13 42.867 0.2 . 1 . . . . 123 ILE CB . 11053 1 1399 . 1 1 179 179 ILE CG1 C 13 28.337 0.2 . 1 . . . . 123 ILE CG1 . 11053 1 1400 . 1 1 179 179 ILE CG2 C 13 21.667 0.2 . 1 . . . . 123 ILE CG2 . 11053 1 1401 . 1 1 179 179 ILE CD1 C 13 20.587 0.2 . 1 . . . . 123 ILE CD1 . 11053 1 1402 . 1 1 179 179 ILE N N 15 122.826 0.2 . 1 . . . . 123 ILE N . 11053 1 1403 . 1 1 180 180 GLY H H 1 9.826 0.02 . 1 . . . . 124 GLY H . 11053 1 1404 . 1 1 180 180 GLY HA2 H 1 3.116 0.02 . 2 . . . . 124 GLY HA2 . 11053 1 1405 . 1 1 180 180 GLY HA3 H 1 3.116 0.02 . 2 . . . . 124 GLY HA3 . 11053 1 1406 . 1 1 180 180 GLY CA C 13 46.997 0.2 . 1 . . . . 124 GLY CA . 11053 1 1407 . 1 1 180 180 GLY N N 15 113.236 0.2 . 1 . . . . 124 GLY N . 11053 1 1408 . 1 1 181 181 ALA H H 1 7.406 0.02 . 1 . . . . 125 ALA H . 11053 1 1409 . 1 1 181 181 ALA HA H 1 4.386 0.02 . 1 . . . . 125 ALA HA . 11053 1 1410 . 1 1 181 181 ALA HB1 H 1 1.236 0.02 . 1 . . . . 125 ALA MB . 11053 1 1411 . 1 1 181 181 ALA HB2 H 1 1.236 0.02 . 1 . . . . 125 ALA MB . 11053 1 1412 . 1 1 181 181 ALA HB3 H 1 1.236 0.02 . 1 . . . . 125 ALA MB . 11053 1 1413 . 1 1 181 181 ALA CA C 13 50.687 0.2 . 1 . . . . 125 ALA CA . 11053 1 1414 . 1 1 181 181 ALA CB C 13 18.107 0.2 . 1 . . . . 125 ALA CB . 11053 1 1415 . 1 1 181 181 ALA N N 15 123.436 0.2 . 1 . . . . 125 ALA N . 11053 1 1416 . 1 1 182 182 VAL H H 1 9.196 0.02 . 1 . . . . 126 VAL H . 11053 1 1417 . 1 1 182 182 VAL HA H 1 4.916 0.02 . 1 . . . . 126 VAL HA . 11053 1 1418 . 1 1 182 182 VAL HB H 1 1.766 0.02 . 1 . . . . 126 VAL HB . 11053 1 1419 . 1 1 182 182 VAL HG11 H 1 0.326 0.02 . 2 . . . . 126 VAL MG1 . 11053 1 1420 . 1 1 182 182 VAL HG12 H 1 0.326 0.02 . 2 . . . . 126 VAL MG1 . 11053 1 1421 . 1 1 182 182 VAL HG13 H 1 0.326 0.02 . 2 . . . . 126 VAL MG1 . 11053 1 1422 . 1 1 182 182 VAL HG21 H 1 -0.084 0.02 . 2 . . . . 126 VAL MG2 . 11053 1 1423 . 1 1 182 182 VAL HG22 H 1 -0.084 0.02 . 2 . . . . 126 VAL MG2 . 11053 1 1424 . 1 1 182 182 VAL HG23 H 1 -0.084 0.02 . 2 . . . . 126 VAL MG2 . 11053 1 1425 . 1 1 182 182 VAL CA C 13 57.607 0.2 . 1 . . . . 126 VAL CA . 11053 1 1426 . 1 1 182 182 VAL CB C 13 32.807 0.2 . 1 . . . . 126 VAL CB . 11053 1 1427 . 1 1 182 182 VAL CG1 C 13 22.177 0.2 . 2 . . . . 126 VAL CG1 . 11053 1 1428 . 1 1 182 182 VAL CG2 C 13 20.137 0.2 . 2 . . . . 126 VAL CG2 . 11053 1 1429 . 1 1 182 182 VAL N N 15 112.466 0.2 . 1 . . . . 126 VAL N . 11053 1 1430 . 1 1 183 183 THR H H 1 9.306 0.02 . 1 . . . . 127 THR H . 11053 1 1431 . 1 1 183 183 THR HA H 1 4.906 0.02 . 1 . . . . 127 THR HA . 11053 1 1432 . 1 1 183 183 THR HB H 1 4.356 0.02 . 1 . . . . 127 THR HB . 11053 1 1433 . 1 1 183 183 THR HG21 H 1 1.076 0.02 . 1 . . . . 127 THR MG . 11053 1 1434 . 1 1 183 183 THR HG22 H 1 1.076 0.02 . 1 . . . . 127 THR MG . 11053 1 1435 . 1 1 183 183 THR HG23 H 1 1.076 0.02 . 1 . . . . 127 THR MG . 11053 1 1436 . 1 1 183 183 THR CA C 13 59.917 0.2 . 1 . . . . 127 THR CA . 11053 1 1437 . 1 1 183 183 THR CB C 13 67.637 0.2 . 1 . . . . 127 THR CB . 11053 1 1438 . 1 1 183 183 THR CG2 C 13 22.227 0.2 . 1 . . . . 127 THR CG2 . 11053 1 1439 . 1 1 183 183 THR N N 15 123.546 0.2 . 1 . . . . 127 THR N . 11053 1 1440 . 1 1 184 184 LEU H H 1 6.946 0.02 . 1 . . . . 128 LEU H . 11053 1 1441 . 1 1 184 184 LEU HA H 1 4.496 0.02 . 1 . . . . 128 LEU HA . 11053 1 1442 . 1 1 184 184 LEU HB2 H 1 1.616 0.02 . 2 . . . . 128 LEU HB2 . 11053 1 1443 . 1 1 184 184 LEU HB3 H 1 1.616 0.02 . 2 . . . . 128 LEU HB3 . 11053 1 1444 . 1 1 184 184 LEU HG H 1 1.316 0.02 . 1 . . . . 128 LEU HG . 11053 1 1445 . 1 1 184 184 LEU HD11 H 1 0.726 0.02 . 2 . . . . 128 LEU MD1 . 11053 1 1446 . 1 1 184 184 LEU HD12 H 1 0.726 0.02 . 2 . . . . 128 LEU MD1 . 11053 1 1447 . 1 1 184 184 LEU HD13 H 1 0.726 0.02 . 2 . . . . 128 LEU MD1 . 11053 1 1448 . 1 1 184 184 LEU HD21 H 1 0.906 0.02 . 2 . . . . 128 LEU MD2 . 11053 1 1449 . 1 1 184 184 LEU HD22 H 1 0.906 0.02 . 2 . . . . 128 LEU MD2 . 11053 1 1450 . 1 1 184 184 LEU HD23 H 1 0.906 0.02 . 2 . . . . 128 LEU MD2 . 11053 1 1451 . 1 1 184 184 LEU CA C 13 53.297 0.2 . 1 . . . . 128 LEU CA . 11053 1 1452 . 1 1 184 184 LEU CB C 13 44.527 0.2 . 1 . . . . 128 LEU CB . 11053 1 1453 . 1 1 184 184 LEU CD1 C 13 24.147 0.2 . 2 . . . . 128 LEU CD1 . 11053 1 1454 . 1 1 184 184 LEU CD2 C 13 26.577 0.2 . 2 . . . . 128 LEU CD2 . 11053 1 1455 . 1 1 184 184 LEU N N 15 121.536 0.2 . 1 . . . . 128 LEU N . 11053 1 1456 . 1 1 185 185 ASP H H 1 8.746 0.02 . 1 . . . . 129 ASP H . 11053 1 1457 . 1 1 185 185 ASP HA H 1 4.496 0.02 . 1 . . . . 129 ASP HA . 11053 1 1458 . 1 1 185 185 ASP HB2 H 1 2.816 0.02 . 2 . . . . 129 ASP HB2 . 11053 1 1459 . 1 1 185 185 ASP HB3 H 1 2.616 0.02 . 2 . . . . 129 ASP HB3 . 11053 1 1460 . 1 1 185 185 ASP CA C 13 53.897 0.2 . 1 . . . . 129 ASP CA . 11053 1 1461 . 1 1 185 185 ASP CB C 13 41.837 0.2 . 1 . . . . 129 ASP CB . 11053 1 1462 . 1 1 185 185 ASP N N 15 127.836 0.2 . 1 . . . . 129 ASP N . 11053 1 1463 . 1 1 186 186 TYR H H 1 7.286 0.02 . 1 . . . . 130 TYR H . 11053 1 1464 . 1 1 186 186 TYR HA H 1 4.686 0.02 . 1 . . . . 130 TYR HA . 11053 1 1465 . 1 1 186 186 TYR HB2 H 1 2.796 0.02 . 2 . . . . 130 TYR HB2 . 11053 1 1466 . 1 1 186 186 TYR HB3 H 1 2.796 0.02 . 2 . . . . 130 TYR HB3 . 11053 1 1467 . 1 1 186 186 TYR CA C 13 56.507 0.2 . 1 . . . . 130 TYR CA . 11053 1 1468 . 1 1 186 186 TYR CB C 13 42.647 0.2 . 1 . . . . 130 TYR CB . 11053 1 1469 . 1 1 186 186 TYR N N 15 121.666 0.2 . 1 . . . . 130 TYR N . 11053 1 1470 . 1 1 190 190 THR H H 1 8.296 0.02 . 1 . . . . 134 THR H . 11053 1 1471 . 1 1 190 190 THR HA H 1 4.296 0.02 . 1 . . . . 134 THR HA . 11053 1 1472 . 1 1 190 190 THR HB H 1 3.846 0.02 . 1 . . . . 134 THR HB . 11053 1 1473 . 1 1 190 190 THR HG21 H 1 0.746 0.02 . 1 . . . . 134 THR MG . 11053 1 1474 . 1 1 190 190 THR HG22 H 1 0.746 0.02 . 1 . . . . 134 THR MG . 11053 1 1475 . 1 1 190 190 THR HG23 H 1 0.746 0.02 . 1 . . . . 134 THR MG . 11053 1 1476 . 1 1 190 190 THR CA C 13 62.587 0.2 . 1 . . . . 134 THR CA . 11053 1 1477 . 1 1 190 190 THR CB C 13 69.267 0.2 . 1 . . . . 134 THR CB . 11053 1 1478 . 1 1 190 190 THR CG2 C 13 22.817 0.2 . 1 . . . . 134 THR CG2 . 11053 1 1479 . 1 1 190 190 THR N N 15 115.206 0.2 . 1 . . . . 134 THR N . 11053 1 1480 . 1 1 191 191 SER H H 1 8.376 0.02 . 1 . . . . 135 SER H . 11053 1 1481 . 1 1 191 191 SER HA H 1 4.306 0.02 . 1 . . . . 135 SER HA . 11053 1 1482 . 1 1 191 191 SER HB2 H 1 3.776 0.02 . 2 . . . . 135 SER HB2 . 11053 1 1483 . 1 1 191 191 SER HB3 H 1 3.776 0.02 . 2 . . . . 135 SER HB3 . 11053 1 1484 . 1 1 191 191 SER CA C 13 61.607 0.2 . 1 . . . . 135 SER CA . 11053 1 1485 . 1 1 191 191 SER CB C 13 65.477 0.2 . 1 . . . . 135 SER CB . 11053 1 1486 . 1 1 191 191 SER N N 15 118.176 0.2 . 1 . . . . 135 SER N . 11053 1 1487 . 1 1 192 192 GLY H H 1 10.106 0.02 . 1 . . . . 136 GLY H . 11053 1 1488 . 1 1 192 192 GLY HA2 H 1 5.156 0.02 . 2 . . . . 136 GLY HA2 . 11053 1 1489 . 1 1 192 192 GLY HA3 H 1 5.156 0.02 . 2 . . . . 136 GLY HA3 . 11053 1 1490 . 1 1 192 192 GLY CA C 13 44.607 0.2 . 1 . . . . 136 GLY CA . 11053 1 1491 . 1 1 192 192 GLY N N 15 112.286 0.2 . 1 . . . . 136 GLY N . 11053 1 1492 . 1 1 193 193 SER H H 1 7.876 0.02 . 1 . . . . 137 SER H . 11053 1 1493 . 1 1 193 193 SER HA H 1 4.236 0.02 . 1 . . . . 137 SER HA . 11053 1 1494 . 1 1 193 193 SER HB2 H 1 3.876 0.02 . 2 . . . . 137 SER HB2 . 11053 1 1495 . 1 1 193 193 SER HB3 H 1 3.876 0.02 . 2 . . . . 137 SER HB3 . 11053 1 1496 . 1 1 193 193 SER CA C 13 59.347 0.2 . 1 . . . . 137 SER CA . 11053 1 1497 . 1 1 193 193 SER CB C 13 63.277 0.2 . 1 . . . . 137 SER CB . 11053 1 1498 . 1 1 193 193 SER N N 15 116.106 0.2 . 1 . . . . 137 SER N . 11053 1 1499 . 1 1 195 195 ILE H H 1 8.556 0.02 . 1 . . . . 139 ILE H . 11053 1 1500 . 1 1 195 195 ILE HA H 1 4.896 0.02 . 1 . . . . 139 ILE HA . 11053 1 1501 . 1 1 195 195 ILE HB H 1 1.786 0.02 . 1 . . . . 139 ILE HB . 11053 1 1502 . 1 1 195 195 ILE HG12 H 1 1.556 0.02 . 2 . . . . 139 ILE HG12 . 11053 1 1503 . 1 1 195 195 ILE HG13 H 1 1.556 0.02 . 2 . . . . 139 ILE HG13 . 11053 1 1504 . 1 1 195 195 ILE HG21 H 1 0.786 0.02 . 1 . . . . 139 ILE MG . 11053 1 1505 . 1 1 195 195 ILE HG22 H 1 0.786 0.02 . 1 . . . . 139 ILE MG . 11053 1 1506 . 1 1 195 195 ILE HG23 H 1 0.786 0.02 . 1 . . . . 139 ILE MG . 11053 1 1507 . 1 1 195 195 ILE HD11 H 1 0.626 0.02 . 1 . . . . 139 ILE MD . 11053 1 1508 . 1 1 195 195 ILE HD12 H 1 0.626 0.02 . 1 . . . . 139 ILE MD . 11053 1 1509 . 1 1 195 195 ILE HD13 H 1 0.626 0.02 . 1 . . . . 139 ILE MD . 11053 1 1510 . 1 1 195 195 ILE CA C 13 58.977 0.2 . 1 . . . . 139 ILE CA . 11053 1 1511 . 1 1 195 195 ILE CB C 13 36.597 0.2 . 1 . . . . 139 ILE CB . 11053 1 1512 . 1 1 195 195 ILE CG1 C 13 29.177 0.2 . 1 . . . . 139 ILE CG1 . 11053 1 1513 . 1 1 195 195 ILE CG2 C 13 21.147 0.2 . 1 . . . . 139 ILE CG2 . 11053 1 1514 . 1 1 195 195 ILE CD1 C 13 13.537 0.2 . 1 . . . . 139 ILE CD1 . 11053 1 1515 . 1 1 195 195 ILE N N 15 120.806 0.2 . 1 . . . . 139 ILE N . 11053 1 1516 . 1 1 196 196 VAL H H 1 9.726 0.02 . 1 . . . . 140 VAL H . 11053 1 1517 . 1 1 196 196 VAL HA H 1 5.506 0.02 . 1 . . . . 140 VAL HA . 11053 1 1518 . 1 1 196 196 VAL HB H 1 2.016 0.02 . 1 . . . . 140 VAL HB . 11053 1 1519 . 1 1 196 196 VAL HG11 H 1 0.866 0.02 . 2 . . . . 140 VAL MG1 . 11053 1 1520 . 1 1 196 196 VAL HG12 H 1 0.866 0.02 . 2 . . . . 140 VAL MG1 . 11053 1 1521 . 1 1 196 196 VAL HG13 H 1 0.866 0.02 . 2 . . . . 140 VAL MG1 . 11053 1 1522 . 1 1 196 196 VAL HG21 H 1 0.606 0.02 . 2 . . . . 140 VAL MG2 . 11053 1 1523 . 1 1 196 196 VAL HG22 H 1 0.606 0.02 . 2 . . . . 140 VAL MG2 . 11053 1 1524 . 1 1 196 196 VAL HG23 H 1 0.606 0.02 . 2 . . . . 140 VAL MG2 . 11053 1 1525 . 1 1 196 196 VAL CA C 13 58.727 0.2 . 1 . . . . 140 VAL CA . 11053 1 1526 . 1 1 196 196 VAL CB C 13 36.237 0.2 . 1 . . . . 140 VAL CB . 11053 1 1527 . 1 1 196 196 VAL CG1 C 13 18.887 0.2 . 2 . . . . 140 VAL CG1 . 11053 1 1528 . 1 1 196 196 VAL CG2 C 13 21.767 0.2 . 2 . . . . 140 VAL CG2 . 11053 1 1529 . 1 1 196 196 VAL N N 15 120.806 0.2 . 1 . . . . 140 VAL N . 11053 1 1530 . 1 1 197 197 ASP H H 1 8.366 0.02 . 1 . . . . 141 ASP H . 11053 1 1531 . 1 1 197 197 ASP HA H 1 5.076 0.02 . 1 . . . . 141 ASP HA . 11053 1 1532 . 1 1 197 197 ASP HB2 H 1 2.566 0.02 . 2 . . . . 141 ASP HB2 . 11053 1 1533 . 1 1 197 197 ASP HB3 H 1 2.586 0.02 . 2 . . . . 141 ASP HB3 . 11053 1 1534 . 1 1 197 197 ASP CA C 13 51.517 0.2 . 1 . . . . 141 ASP CA . 11053 1 1535 . 1 1 197 197 ASP CB C 13 42.997 0.2 . 1 . . . . 141 ASP CB . 11053 1 1536 . 1 1 197 197 ASP N N 15 119.786 0.2 . 1 . . . . 141 ASP N . 11053 1 1537 . 1 1 198 198 LYS H H 1 7.686 0.02 . 1 . . . . 142 LYS H . 11053 1 1538 . 1 1 198 198 LYS HA H 1 5.076 0.02 . 1 . . . . 142 LYS HA . 11053 1 1539 . 1 1 198 198 LYS HB2 H 1 0.756 0.02 . 2 . . . . 142 LYS HB2 . 11053 1 1540 . 1 1 198 198 LYS HB3 H 1 0.756 0.02 . 2 . . . . 142 LYS HB3 . 11053 1 1541 . 1 1 198 198 LYS HG2 H 1 0.486 0.02 . 2 . . . . 142 LYS HG2 . 11053 1 1542 . 1 1 198 198 LYS HG3 H 1 0.486 0.02 . 2 . . . . 142 LYS HG3 . 11053 1 1543 . 1 1 198 198 LYS HD2 H 1 1.146 0.02 . 2 . . . . 142 LYS HD2 . 11053 1 1544 . 1 1 198 198 LYS HD3 H 1 1.146 0.02 . 2 . . . . 142 LYS HD3 . 11053 1 1545 . 1 1 198 198 LYS HE2 H 1 2.646 0.02 . 2 . . . . 142 LYS HE2 . 11053 1 1546 . 1 1 198 198 LYS HE3 H 1 2.646 0.02 . 2 . . . . 142 LYS HE3 . 11053 1 1547 . 1 1 198 198 LYS CA C 13 57.667 0.2 . 1 . . . . 142 LYS CA . 11053 1 1548 . 1 1 198 198 LYS CB C 13 31.267 0.2 . 1 . . . . 142 LYS CB . 11053 1 1549 . 1 1 198 198 LYS CG C 13 24.207 0.2 . 1 . . . . 142 LYS CG . 11053 1 1550 . 1 1 198 198 LYS CD C 13 29.247 0.2 . 1 . . . . 142 LYS CD . 11053 1 1551 . 1 1 198 198 LYS N N 15 115.406 0.2 . 1 . . . . 142 LYS N . 11053 1 1552 . 1 1 199 199 ASN H H 1 7.746 0.02 . 1 . . . . 143 ASN H . 11053 1 1553 . 1 1 199 199 ASN HA H 1 4.436 0.02 . 1 . . . . 143 ASN HA . 11053 1 1554 . 1 1 199 199 ASN HB2 H 1 2.606 0.02 . 2 . . . . 143 ASN HB2 . 11053 1 1555 . 1 1 199 199 ASN HB3 H 1 2.776 0.02 . 2 . . . . 143 ASN HB3 . 11053 1 1556 . 1 1 199 199 ASN CA C 13 53.027 0.2 . 1 . . . . 143 ASN CA . 11053 1 1557 . 1 1 199 199 ASN CB C 13 38.867 0.2 . 1 . . . . 143 ASN CB . 11053 1 1558 . 1 1 199 199 ASN N N 15 117.116 0.2 . 1 . . . . 143 ASN N . 11053 1 1559 . 1 1 200 200 GLY H H 1 8.756 0.02 . 1 . . . . 144 GLY H . 11053 1 1560 . 1 1 200 200 GLY HA2 H 1 4.056 0.02 . 2 . . . . 144 GLY HA2 . 11053 1 1561 . 1 1 200 200 GLY HA3 H 1 3.166 0.02 . 2 . . . . 144 GLY HA3 . 11053 1 1562 . 1 1 200 200 GLY CA C 13 44.907 0.2 . 1 . . . . 144 GLY CA . 11053 1 1563 . 1 1 200 200 GLY N N 15 109.716 0.2 . 1 . . . . 144 GLY N . 11053 1 1564 . 1 1 201 201 ASP H H 1 7.776 0.02 . 1 . . . . 145 ASP H . 11053 1 1565 . 1 1 201 201 ASP HA H 1 4.436 0.02 . 1 . . . . 145 ASP HA . 11053 1 1566 . 1 1 201 201 ASP HB2 H 1 2.406 0.02 . 2 . . . . 145 ASP HB2 . 11053 1 1567 . 1 1 201 201 ASP HB3 H 1 2.776 0.02 . 2 . . . . 145 ASP HB3 . 11053 1 1568 . 1 1 201 201 ASP CA C 13 54.107 0.2 . 1 . . . . 145 ASP CA . 11053 1 1569 . 1 1 201 201 ASP CB C 13 41.937 0.2 . 1 . . . . 145 ASP CB . 11053 1 1570 . 1 1 201 201 ASP N N 15 118.876 0.2 . 1 . . . . 145 ASP N . 11053 1 1571 . 1 1 202 202 VAL H H 1 8.556 0.02 . 1 . . . . 146 VAL H . 11053 1 1572 . 1 1 202 202 VAL HA H 1 4.196 0.02 . 1 . . . . 146 VAL HA . 11053 1 1573 . 1 1 202 202 VAL HB H 1 1.786 0.02 . 1 . . . . 146 VAL HB . 11053 1 1574 . 1 1 202 202 VAL HG11 H 1 0.886 0.02 . 2 . . . . 146 VAL MG1 . 11053 1 1575 . 1 1 202 202 VAL HG12 H 1 0.886 0.02 . 2 . . . . 146 VAL MG1 . 11053 1 1576 . 1 1 202 202 VAL HG13 H 1 0.886 0.02 . 2 . . . . 146 VAL MG1 . 11053 1 1577 . 1 1 202 202 VAL HG21 H 1 0.976 0.02 . 2 . . . . 146 VAL MG2 . 11053 1 1578 . 1 1 202 202 VAL HG22 H 1 0.976 0.02 . 2 . . . . 146 VAL MG2 . 11053 1 1579 . 1 1 202 202 VAL HG23 H 1 0.976 0.02 . 2 . . . . 146 VAL MG2 . 11053 1 1580 . 1 1 202 202 VAL CA C 13 63.147 0.2 . 1 . . . . 146 VAL CA . 11053 1 1581 . 1 1 202 202 VAL CB C 13 32.137 0.2 . 1 . . . . 146 VAL CB . 11053 1 1582 . 1 1 202 202 VAL CG1 C 13 22.477 0.2 . 2 . . . . 146 VAL CG1 . 11053 1 1583 . 1 1 202 202 VAL CG2 C 13 22.457 0.2 . 2 . . . . 146 VAL CG2 . 11053 1 1584 . 1 1 202 202 VAL N N 15 119.836 0.2 . 1 . . . . 146 VAL N . 11053 1 1585 . 1 1 203 203 ILE H H 1 8.926 0.02 . 1 . . . . 147 ILE H . 11053 1 1586 . 1 1 203 203 ILE HA H 1 4.186 0.02 . 1 . . . . 147 ILE HA . 11053 1 1587 . 1 1 203 203 ILE HB H 1 1.976 0.02 . 1 . . . . 147 ILE HB . 11053 1 1588 . 1 1 203 203 ILE HG12 H 1 1.636 0.02 . 2 . . . . 147 ILE HG12 . 11053 1 1589 . 1 1 203 203 ILE HG13 H 1 1.636 0.02 . 2 . . . . 147 ILE HG13 . 11053 1 1590 . 1 1 203 203 ILE HG21 H 1 0.896 0.02 . 1 . . . . 147 ILE MG . 11053 1 1591 . 1 1 203 203 ILE HG22 H 1 0.896 0.02 . 1 . . . . 147 ILE MG . 11053 1 1592 . 1 1 203 203 ILE HG23 H 1 0.896 0.02 . 1 . . . . 147 ILE MG . 11053 1 1593 . 1 1 203 203 ILE HD11 H 1 0.646 0.02 . 1 . . . . 147 ILE MD . 11053 1 1594 . 1 1 203 203 ILE HD12 H 1 0.646 0.02 . 1 . . . . 147 ILE MD . 11053 1 1595 . 1 1 203 203 ILE HD13 H 1 0.646 0.02 . 1 . . . . 147 ILE MD . 11053 1 1596 . 1 1 203 203 ILE CA C 13 60.547 0.2 . 1 . . . . 147 ILE CA . 11053 1 1597 . 1 1 203 203 ILE CB C 13 42.847 0.2 . 1 . . . . 147 ILE CB . 11053 1 1598 . 1 1 203 203 ILE CG1 C 13 27.097 0.2 . 1 . . . . 147 ILE CG1 . 11053 1 1599 . 1 1 203 203 ILE CG2 C 13 21.667 0.2 . 1 . . . . 147 ILE CG2 . 11053 1 1600 . 1 1 203 203 ILE CD1 C 13 18.887 0.2 . 1 . . . . 147 ILE CD1 . 11053 1 1601 . 1 1 203 203 ILE N N 15 121.276 0.2 . 1 . . . . 147 ILE N . 11053 1 1602 . 1 1 204 204 GLY H H 1 7.476 0.02 . 1 . . . . 148 GLY H . 11053 1 1603 . 1 1 204 204 GLY HA2 H 1 3.776 0.02 . 2 . . . . 148 GLY HA2 . 11053 1 1604 . 1 1 204 204 GLY HA3 H 1 3.776 0.02 . 2 . . . . 148 GLY HA3 . 11053 1 1605 . 1 1 204 204 GLY CA C 13 45.057 0.2 . 1 . . . . 148 GLY CA . 11053 1 1606 . 1 1 204 204 GLY N N 15 105.816 0.2 . 1 . . . . 148 GLY N . 11053 1 1607 . 1 1 205 205 LEU H H 1 9.356 0.02 . 1 . . . . 149 LEU H . 11053 1 1608 . 1 1 205 205 LEU HA H 1 5.106 0.02 . 1 . . . . 149 LEU HA . 11053 1 1609 . 1 1 205 205 LEU HB2 H 1 1.746 0.02 . 2 . . . . 149 LEU HB2 . 11053 1 1610 . 1 1 205 205 LEU HB3 H 1 1.746 0.02 . 2 . . . . 149 LEU HB3 . 11053 1 1611 . 1 1 205 205 LEU HG H 1 1.146 0.02 . 1 . . . . 149 LEU HG . 11053 1 1612 . 1 1 205 205 LEU HD11 H 1 0.776 0.02 . 2 . . . . 149 LEU MD1 . 11053 1 1613 . 1 1 205 205 LEU HD12 H 1 0.776 0.02 . 2 . . . . 149 LEU MD1 . 11053 1 1614 . 1 1 205 205 LEU HD13 H 1 0.776 0.02 . 2 . . . . 149 LEU MD1 . 11053 1 1615 . 1 1 205 205 LEU HD21 H 1 0.596 0.02 . 2 . . . . 149 LEU MD2 . 11053 1 1616 . 1 1 205 205 LEU HD22 H 1 0.596 0.02 . 2 . . . . 149 LEU MD2 . 11053 1 1617 . 1 1 205 205 LEU HD23 H 1 0.596 0.02 . 2 . . . . 149 LEU MD2 . 11053 1 1618 . 1 1 205 205 LEU CA C 13 53.087 0.2 . 1 . . . . 149 LEU CA . 11053 1 1619 . 1 1 205 205 LEU CB C 13 41.237 0.2 . 1 . . . . 149 LEU CB . 11053 1 1620 . 1 1 205 205 LEU CG C 13 29.267 0.2 . 1 . . . . 149 LEU CG . 11053 1 1621 . 1 1 205 205 LEU CD1 C 13 22.977 0.2 . 2 . . . . 149 LEU CD1 . 11053 1 1622 . 1 1 205 205 LEU CD2 C 13 22.917 0.2 . 2 . . . . 149 LEU CD2 . 11053 1 1623 . 1 1 205 205 LEU N N 15 118.416 0.2 . 1 . . . . 149 LEU N . 11053 1 1624 . 1 1 206 206 TYR H H 1 9.006 0.02 . 1 . . . . 150 TYR H . 11053 1 1625 . 1 1 206 206 TYR HA H 1 4.386 0.02 . 1 . . . . 150 TYR HA . 11053 1 1626 . 1 1 206 206 TYR HB2 H 1 3.006 0.02 . 2 . . . . 150 TYR HB2 . 11053 1 1627 . 1 1 206 206 TYR HB3 H 1 3.006 0.02 . 2 . . . . 150 TYR HB3 . 11053 1 1628 . 1 1 206 206 TYR CA C 13 58.407 0.2 . 1 . . . . 150 TYR CA . 11053 1 1629 . 1 1 206 206 TYR CB C 13 42.417 0.2 . 1 . . . . 150 TYR CB . 11053 1 1630 . 1 1 206 206 TYR N N 15 119.186 0.2 . 1 . . . . 150 TYR N . 11053 1 1631 . 1 1 208 208 ASN H H 1 6.866 0.02 . 1 . . . . 152 ASN H . 11053 1 1632 . 1 1 208 208 ASN HA H 1 3.926 0.02 . 1 . . . . 152 ASN HA . 11053 1 1633 . 1 1 208 208 ASN HB2 H 1 2.646 0.02 . 2 . . . . 152 ASN HB2 . 11053 1 1634 . 1 1 208 208 ASN HB3 H 1 2.476 0.02 . 2 . . . . 152 ASN HB3 . 11053 1 1635 . 1 1 208 208 ASN CA C 13 55.057 0.2 . 1 . . . . 152 ASN CA . 11053 1 1636 . 1 1 208 208 ASN CB C 13 41.567 0.2 . 1 . . . . 152 ASN CB . 11053 1 1637 . 1 1 208 208 ASN N N 15 118.276 0.2 . 1 . . . . 152 ASN N . 11053 1 1638 . 1 1 209 209 GLY H H 1 8.506 0.02 . 1 . . . . 153 GLY H . 11053 1 1639 . 1 1 209 209 GLY HA2 H 1 4.586 0.02 . 2 . . . . 153 GLY HA2 . 11053 1 1640 . 1 1 209 209 GLY HA3 H 1 4.076 0.02 . 2 . . . . 153 GLY HA3 . 11053 1 1641 . 1 1 209 209 GLY CA C 13 46.397 0.2 . 1 . . . . 153 GLY CA . 11053 1 1642 . 1 1 209 209 GLY N N 15 114.296 0.2 . 1 . . . . 153 GLY N . 11053 1 1643 . 1 1 210 210 VAL H H 1 8.246 0.02 . 1 . . . . 154 VAL H . 11053 1 1644 . 1 1 210 210 VAL HA H 1 4.586 0.02 . 1 . . . . 154 VAL HA . 11053 1 1645 . 1 1 210 210 VAL HB H 1 1.596 0.02 . 1 . . . . 154 VAL HB . 11053 1 1646 . 1 1 210 210 VAL HG11 H 1 0.426 0.02 . 2 . . . . 154 VAL MG1 . 11053 1 1647 . 1 1 210 210 VAL HG12 H 1 0.426 0.02 . 2 . . . . 154 VAL MG1 . 11053 1 1648 . 1 1 210 210 VAL HG13 H 1 0.426 0.02 . 2 . . . . 154 VAL MG1 . 11053 1 1649 . 1 1 210 210 VAL HG21 H 1 0.356 0.02 . 2 . . . . 154 VAL MG2 . 11053 1 1650 . 1 1 210 210 VAL HG22 H 1 0.356 0.02 . 2 . . . . 154 VAL MG2 . 11053 1 1651 . 1 1 210 210 VAL HG23 H 1 0.356 0.02 . 2 . . . . 154 VAL MG2 . 11053 1 1652 . 1 1 210 210 VAL CA C 13 58.967 0.2 . 1 . . . . 154 VAL CA . 11053 1 1653 . 1 1 210 210 VAL CB C 13 36.187 0.2 . 1 . . . . 154 VAL CB . 11053 1 1654 . 1 1 210 210 VAL CG1 C 13 19.647 0.2 . 2 . . . . 154 VAL CG1 . 11053 1 1655 . 1 1 210 210 VAL CG2 C 13 21.977 0.2 . 2 . . . . 154 VAL CG2 . 11053 1 1656 . 1 1 210 210 VAL N N 15 116.466 0.2 . 1 . . . . 154 VAL N . 11053 1 1657 . 1 1 211 211 ILE H H 1 7.836 0.02 . 1 . . . . 155 ILE H . 11053 1 1658 . 1 1 211 211 ILE HA H 1 4.266 0.02 . 1 . . . . 155 ILE HA . 11053 1 1659 . 1 1 211 211 ILE HB H 1 1.676 0.02 . 1 . . . . 155 ILE HB . 11053 1 1660 . 1 1 211 211 ILE HG12 H 1 1.216 0.02 . 2 . . . . 155 ILE HG12 . 11053 1 1661 . 1 1 211 211 ILE HG13 H 1 1.216 0.02 . 2 . . . . 155 ILE HG13 . 11053 1 1662 . 1 1 211 211 ILE HG21 H 1 0.896 0.02 . 1 . . . . 155 ILE MG . 11053 1 1663 . 1 1 211 211 ILE HG22 H 1 0.896 0.02 . 1 . . . . 155 ILE MG . 11053 1 1664 . 1 1 211 211 ILE HG23 H 1 0.896 0.02 . 1 . . . . 155 ILE MG . 11053 1 1665 . 1 1 211 211 ILE HD11 H 1 0.446 0.02 . 1 . . . . 155 ILE MD . 11053 1 1666 . 1 1 211 211 ILE HD12 H 1 0.446 0.02 . 1 . . . . 155 ILE MD . 11053 1 1667 . 1 1 211 211 ILE HD13 H 1 0.446 0.02 . 1 . . . . 155 ILE MD . 11053 1 1668 . 1 1 211 211 ILE CA C 13 59.617 0.2 . 1 . . . . 155 ILE CA . 11053 1 1669 . 1 1 211 211 ILE CB C 13 37.947 0.2 . 1 . . . . 155 ILE CB . 11053 1 1670 . 1 1 211 211 ILE CG1 C 13 28.217 0.2 . 1 . . . . 155 ILE CG1 . 11053 1 1671 . 1 1 211 211 ILE CG2 C 13 20.887 0.2 . 1 . . . . 155 ILE CG2 . 11053 1 1672 . 1 1 211 211 ILE CD1 C 13 18.407 0.2 . 1 . . . . 155 ILE CD1 . 11053 1 1673 . 1 1 211 211 ILE N N 15 121.456 0.2 . 1 . . . . 155 ILE N . 11053 1 1674 . 1 1 212 212 MET H H 1 8.756 0.02 . 1 . . . . 156 MET H . 11053 1 1675 . 1 1 212 212 MET HA H 1 4.296 0.02 . 1 . . . . 156 MET HA . 11053 1 1676 . 1 1 212 212 MET HB2 H 1 2.126 0.02 . 2 . . . . 156 MET HB2 . 11053 1 1677 . 1 1 212 212 MET HB3 H 1 2.126 0.02 . 2 . . . . 156 MET HB3 . 11053 1 1678 . 1 1 212 212 MET HG2 H 1 2.426 0.02 . 2 . . . . 156 MET HG2 . 11053 1 1679 . 1 1 212 212 MET HG3 H 1 2.176 0.02 . 2 . . . . 156 MET HG3 . 11053 1 1680 . 1 1 212 212 MET HE1 H 1 1.186 0.02 . 1 . . . . 156 MET ME . 11053 1 1681 . 1 1 212 212 MET HE2 H 1 1.186 0.02 . 1 . . . . 156 MET ME . 11053 1 1682 . 1 1 212 212 MET HE3 H 1 1.186 0.02 . 1 . . . . 156 MET ME . 11053 1 1683 . 1 1 212 212 MET CA C 13 53.667 0.2 . 1 . . . . 156 MET CA . 11053 1 1684 . 1 1 212 212 MET CB C 13 36.067 0.2 . 1 . . . . 156 MET CB . 11053 1 1685 . 1 1 212 212 MET CG C 13 32.817 0.2 . 1 . . . . 156 MET CG . 11053 1 1686 . 1 1 212 212 MET CE C 13 19.267 0.2 . 1 . . . . 156 MET CE . 11053 1 1687 . 1 1 212 212 MET N N 15 126.176 0.2 . 1 . . . . 156 MET N . 11053 1 1688 . 1 1 214 214 ASN H H 1 7.536 0.02 . 1 . . . . 158 ASN H . 11053 1 1689 . 1 1 214 214 ASN HA H 1 4.476 0.02 . 1 . . . . 158 ASN HA . 11053 1 1690 . 1 1 214 214 ASN HB2 H 1 2.706 0.02 . 2 . . . . 158 ASN HB2 . 11053 1 1691 . 1 1 214 214 ASN HB3 H 1 2.646 0.02 . 2 . . . . 158 ASN HB3 . 11053 1 1692 . 1 1 214 214 ASN CA C 13 52.497 0.2 . 1 . . . . 158 ASN CA . 11053 1 1693 . 1 1 214 214 ASN CB C 13 41.967 0.2 . 1 . . . . 158 ASN CB . 11053 1 1694 . 1 1 214 214 ASN N N 15 111.926 0.2 . 1 . . . . 158 ASN N . 11053 1 1695 . 1 1 215 215 GLY H H 1 8.556 0.02 . 1 . . . . 159 GLY H . 11053 1 1696 . 1 1 215 215 GLY HA2 H 1 3.436 0.02 . 2 . . . . 159 GLY HA2 . 11053 1 1697 . 1 1 215 215 GLY HA3 H 1 3.706 0.02 . 2 . . . . 159 GLY HA3 . 11053 1 1698 . 1 1 215 215 GLY CA C 13 45.007 0.2 . 1 . . . . 159 GLY CA . 11053 1 1699 . 1 1 215 215 GLY N N 15 109.426 0.2 . 1 . . . . 159 GLY N . 11053 1 1700 . 1 1 216 216 SER H H 1 7.646 0.02 . 1 . . . . 160 SER H . 11053 1 1701 . 1 1 216 216 SER HA H 1 4.236 0.02 . 1 . . . . 160 SER HA . 11053 1 1702 . 1 1 216 216 SER HB2 H 1 3.716 0.02 . 2 . . . . 160 SER HB2 . 11053 1 1703 . 1 1 216 216 SER HB3 H 1 3.716 0.02 . 2 . . . . 160 SER HB3 . 11053 1 1704 . 1 1 216 216 SER CA C 13 59.047 0.2 . 1 . . . . 160 SER CA . 11053 1 1705 . 1 1 216 216 SER CB C 13 63.867 0.2 . 1 . . . . 160 SER CB . 11053 1 1706 . 1 1 216 216 SER N N 15 116.646 0.2 . 1 . . . . 160 SER N . 11053 1 1707 . 1 1 217 217 TYR H H 1 7.856 0.02 . 1 . . . . 161 TYR H . 11053 1 1708 . 1 1 217 217 TYR HA H 1 4.996 0.02 . 1 . . . . 161 TYR HA . 11053 1 1709 . 1 1 217 217 TYR HB2 H 1 2.666 0.02 . 2 . . . . 161 TYR HB2 . 11053 1 1710 . 1 1 217 217 TYR HB3 H 1 2.666 0.02 . 2 . . . . 161 TYR HB3 . 11053 1 1711 . 1 1 217 217 TYR CA C 13 57.347 0.2 . 1 . . . . 161 TYR CA . 11053 1 1712 . 1 1 217 217 TYR CB C 13 42.077 0.2 . 1 . . . . 161 TYR CB . 11053 1 1713 . 1 1 217 217 TYR N N 15 122.936 0.2 . 1 . . . . 161 TYR N . 11053 1 1714 . 1 1 218 218 ILE H H 1 7.576 0.02 . 1 . . . . 162 ILE H . 11053 1 1715 . 1 1 218 218 ILE HA H 1 4.266 0.02 . 1 . . . . 162 ILE HA . 11053 1 1716 . 1 1 218 218 ILE HB H 1 1.306 0.02 . 1 . . . . 162 ILE HB . 11053 1 1717 . 1 1 218 218 ILE HG12 H 1 1.176 0.02 . 2 . . . . 162 ILE HG12 . 11053 1 1718 . 1 1 218 218 ILE HG13 H 1 1.176 0.02 . 2 . . . . 162 ILE HG13 . 11053 1 1719 . 1 1 218 218 ILE HG21 H 1 0.556 0.02 . 1 . . . . 162 ILE MG . 11053 1 1720 . 1 1 218 218 ILE HG22 H 1 0.556 0.02 . 1 . . . . 162 ILE MG . 11053 1 1721 . 1 1 218 218 ILE HG23 H 1 0.556 0.02 . 1 . . . . 162 ILE MG . 11053 1 1722 . 1 1 218 218 ILE HD11 H 1 0.326 0.02 . 1 . . . . 162 ILE MD . 11053 1 1723 . 1 1 218 218 ILE HD12 H 1 0.326 0.02 . 1 . . . . 162 ILE MD . 11053 1 1724 . 1 1 218 218 ILE HD13 H 1 0.326 0.02 . 1 . . . . 162 ILE MD . 11053 1 1725 . 1 1 218 218 ILE CA C 13 59.527 0.2 . 1 . . . . 162 ILE CA . 11053 1 1726 . 1 1 218 218 ILE CB C 13 41.187 0.2 . 1 . . . . 162 ILE CB . 11053 1 1727 . 1 1 218 218 ILE CG1 C 13 28.207 0.2 . 1 . . . . 162 ILE CG1 . 11053 1 1728 . 1 1 218 218 ILE CG2 C 13 19.637 0.2 . 1 . . . . 162 ILE CG2 . 11053 1 1729 . 1 1 218 218 ILE CD1 C 13 18.127 0.2 . 1 . . . . 162 ILE CD1 . 11053 1 1730 . 1 1 218 218 ILE N N 15 124.676 0.2 . 1 . . . . 162 ILE N . 11053 1 1731 . 1 1 219 219 SER H H 1 8.086 0.02 . 1 . . . . 163 SER H . 11053 1 1732 . 1 1 219 219 SER HA H 1 4.256 0.02 . 1 . . . . 163 SER HA . 11053 1 1733 . 1 1 219 219 SER HB2 H 1 3.626 0.02 . 2 . . . . 163 SER HB2 . 11053 1 1734 . 1 1 219 219 SER HB3 H 1 3.626 0.02 . 2 . . . . 163 SER HB3 . 11053 1 1735 . 1 1 219 219 SER CA C 13 55.527 0.2 . 1 . . . . 163 SER CA . 11053 1 1736 . 1 1 219 219 SER CB C 13 64.787 0.2 . 1 . . . . 163 SER CB . 11053 1 1737 . 1 1 219 219 SER N N 15 115.836 0.2 . 1 . . . . 163 SER N . 11053 1 1738 . 1 1 220 220 ALA H H 1 8.806 0.02 . 1 . . . . 164 ALA H . 11053 1 1739 . 1 1 220 220 ALA HA H 1 3.916 0.02 . 1 . . . . 164 ALA HA . 11053 1 1740 . 1 1 220 220 ALA HB1 H 1 1.286 0.02 . 1 . . . . 164 ALA MB . 11053 1 1741 . 1 1 220 220 ALA HB2 H 1 1.286 0.02 . 1 . . . . 164 ALA MB . 11053 1 1742 . 1 1 220 220 ALA HB3 H 1 1.286 0.02 . 1 . . . . 164 ALA MB . 11053 1 1743 . 1 1 220 220 ALA CA C 13 53.527 0.2 . 1 . . . . 164 ALA CA . 11053 1 1744 . 1 1 220 220 ALA CB C 13 19.167 0.2 . 1 . . . . 164 ALA CB . 11053 1 1745 . 1 1 220 220 ALA N N 15 129.466 0.2 . 1 . . . . 164 ALA N . 11053 1 1746 . 1 1 221 221 ILE H H 1 7.936 0.02 . 1 . . . . 165 ILE H . 11053 1 1747 . 1 1 221 221 ILE HA H 1 3.786 0.02 . 1 . . . . 165 ILE HA . 11053 1 1748 . 1 1 221 221 ILE HB H 1 1.586 0.02 . 1 . . . . 165 ILE HB . 11053 1 1749 . 1 1 221 221 ILE HG12 H 1 1.206 0.02 . 2 . . . . 165 ILE HG12 . 11053 1 1750 . 1 1 221 221 ILE HG13 H 1 1.206 0.02 . 2 . . . . 165 ILE HG13 . 11053 1 1751 . 1 1 221 221 ILE HG21 H 1 0.636 0.02 . 1 . . . . 165 ILE MG . 11053 1 1752 . 1 1 221 221 ILE HG22 H 1 0.636 0.02 . 1 . . . . 165 ILE MG . 11053 1 1753 . 1 1 221 221 ILE HG23 H 1 0.636 0.02 . 1 . . . . 165 ILE MG . 11053 1 1754 . 1 1 221 221 ILE HD11 H 1 0.196 0.02 . 1 . . . . 165 ILE MD . 11053 1 1755 . 1 1 221 221 ILE HD12 H 1 0.196 0.02 . 1 . . . . 165 ILE MD . 11053 1 1756 . 1 1 221 221 ILE HD13 H 1 0.196 0.02 . 1 . . . . 165 ILE MD . 11053 1 1757 . 1 1 221 221 ILE CA C 13 62.317 0.2 . 1 . . . . 165 ILE CA . 11053 1 1758 . 1 1 221 221 ILE CB C 13 37.697 0.2 . 1 . . . . 165 ILE CB . 11053 1 1759 . 1 1 221 221 ILE CG1 C 13 27.167 0.2 . 1 . . . . 165 ILE CG1 . 11053 1 1760 . 1 1 221 221 ILE CG2 C 13 19.627 0.2 . 1 . . . . 165 ILE CG2 . 11053 1 1761 . 1 1 221 221 ILE CD1 C 13 16.337 0.2 . 1 . . . . 165 ILE CD1 . 11053 1 1762 . 1 1 221 221 ILE N N 15 121.386 0.2 . 1 . . . . 165 ILE N . 11053 1 1763 . 1 1 222 222 VAL H H 1 9.006 0.02 . 1 . . . . 166 VAL H . 11053 1 1764 . 1 1 222 222 VAL HA H 1 3.886 0.02 . 1 . . . . 166 VAL HA . 11053 1 1765 . 1 1 222 222 VAL HB H 1 2.206 0.02 . 1 . . . . 166 VAL HB . 11053 1 1766 . 1 1 222 222 VAL HG11 H 1 1.186 0.02 . 2 . . . . 166 VAL MG1 . 11053 1 1767 . 1 1 222 222 VAL HG12 H 1 1.186 0.02 . 2 . . . . 166 VAL MG1 . 11053 1 1768 . 1 1 222 222 VAL HG13 H 1 1.186 0.02 . 2 . . . . 166 VAL MG1 . 11053 1 1769 . 1 1 222 222 VAL HG21 H 1 0.976 0.02 . 2 . . . . 166 VAL MG2 . 11053 1 1770 . 1 1 222 222 VAL HG22 H 1 0.976 0.02 . 2 . . . . 166 VAL MG2 . 11053 1 1771 . 1 1 222 222 VAL HG23 H 1 0.976 0.02 . 2 . . . . 166 VAL MG2 . 11053 1 1772 . 1 1 222 222 VAL CA C 13 65.197 0.2 . 1 . . . . 166 VAL CA . 11053 1 1773 . 1 1 222 222 VAL CB C 13 32.067 0.2 . 1 . . . . 166 VAL CB . 11053 1 1774 . 1 1 222 222 VAL CG1 C 13 21.827 0.2 . 2 . . . . 166 VAL CG1 . 11053 1 1775 . 1 1 222 222 VAL CG2 C 13 21.907 0.2 . 2 . . . . 166 VAL CG2 . 11053 1 1776 . 1 1 222 222 VAL N N 15 131.006 0.2 . 1 . . . . 166 VAL N . 11053 1 1777 . 1 1 223 223 GLN H H 1 8.506 0.02 . 1 . . . . 167 GLN H . 11053 1 1778 . 1 1 223 223 GLN HA H 1 5.356 0.02 . 1 . . . . 167 GLN HA . 11053 1 1779 . 1 1 223 223 GLN HB2 H 1 1.916 0.02 . 2 . . . . 167 GLN HB2 . 11053 1 1780 . 1 1 223 223 GLN HB3 H 1 1.776 0.02 . 2 . . . . 167 GLN HB3 . 11053 1 1781 . 1 1 223 223 GLN HG2 H 1 2.516 0.02 . 2 . . . . 167 GLN HG2 . 11053 1 1782 . 1 1 223 223 GLN HG3 H 1 2.586 0.02 . 2 . . . . 167 GLN HG3 . 11053 1 1783 . 1 1 223 223 GLN CA C 13 53.817 0.2 . 1 . . . . 167 GLN CA . 11053 1 1784 . 1 1 223 223 GLN CB C 13 33.247 0.2 . 1 . . . . 167 GLN CB . 11053 1 1785 . 1 1 223 223 GLN CG C 13 33.287 0.2 . 1 . . . . 167 GLN CG . 11053 1 1786 . 1 1 223 223 GLN N N 15 127.426 0.2 . 1 . . . . 167 GLN N . 11053 1 1787 . 1 1 224 224 GLY H H 1 8.806 0.02 . 1 . . . . 168 GLY H . 11053 1 1788 . 1 1 224 224 GLY HA2 H 1 4.256 0.02 . 2 . . . . 168 GLY HA2 . 11053 1 1789 . 1 1 224 224 GLY HA3 H 1 2.976 0.02 . 2 . . . . 168 GLY HA3 . 11053 1 1790 . 1 1 224 224 GLY CA C 13 44.147 0.2 . 1 . . . . 168 GLY CA . 11053 1 1791 . 1 1 224 224 GLY N N 15 112.756 0.2 . 1 . . . . 168 GLY N . 11053 1 1792 . 1 1 225 225 GLU H H 1 7.826 0.02 . 1 . . . . 169 GLU H . 11053 1 1793 . 1 1 225 225 GLU HA H 1 4.216 0.02 . 1 . . . . 169 GLU HA . 11053 1 1794 . 1 1 225 225 GLU HB2 H 1 1.876 0.02 . 2 . . . . 169 GLU HB2 . 11053 1 1795 . 1 1 225 225 GLU HB3 H 1 1.626 0.02 . 2 . . . . 169 GLU HB3 . 11053 1 1796 . 1 1 225 225 GLU HG2 H 1 2.136 0.02 . 2 . . . . 169 GLU HG2 . 11053 1 1797 . 1 1 225 225 GLU HG3 H 1 2.136 0.02 . 2 . . . . 169 GLU HG3 . 11053 1 1798 . 1 1 225 225 GLU CA C 13 55.507 0.2 . 1 . . . . 169 GLU CA . 11053 1 1799 . 1 1 225 225 GLU CB C 13 30.987 0.2 . 1 . . . . 169 GLU CB . 11053 1 1800 . 1 1 225 225 GLU CG C 13 36.107 0.2 . 1 . . . . 169 GLU CG . 11053 1 1801 . 1 1 225 225 GLU N N 15 117.676 0.2 . 1 . . . . 169 GLU N . 11053 1 1802 . 1 1 226 226 ARG H H 1 8.336 0.02 . 1 . . . . 170 ARG H . 11053 1 1803 . 1 1 226 226 ARG HA H 1 4.056 0.02 . 1 . . . . 170 ARG HA . 11053 1 1804 . 1 1 226 226 ARG HB2 H 1 1.606 0.02 . 2 . . . . 170 ARG HB2 . 11053 1 1805 . 1 1 226 226 ARG HB3 H 1 1.606 0.02 . 2 . . . . 170 ARG HB3 . 11053 1 1806 . 1 1 226 226 ARG HG2 H 1 1.436 0.02 . 2 . . . . 170 ARG HG2 . 11053 1 1807 . 1 1 226 226 ARG HG3 H 1 1.436 0.02 . 2 . . . . 170 ARG HG3 . 11053 1 1808 . 1 1 226 226 ARG HD2 H 1 2.956 0.02 . 2 . . . . 170 ARG HD2 . 11053 1 1809 . 1 1 226 226 ARG HD3 H 1 2.956 0.02 . 2 . . . . 170 ARG HD3 . 11053 1 1810 . 1 1 226 226 ARG CA C 13 56.937 0.2 . 1 . . . . 170 ARG CA . 11053 1 1811 . 1 1 226 226 ARG CB C 13 33.137 0.2 . 1 . . . . 170 ARG CB . 11053 1 1812 . 1 1 226 226 ARG CG C 13 28.367 0.2 . 1 . . . . 170 ARG CG . 11053 1 1813 . 1 1 226 226 ARG N N 15 122.986 0.2 . 1 . . . . 170 ARG N . 11053 1 1814 . 1 1 227 227 MET H H 1 8.696 0.02 . 1 . . . . 171 MET H . 11053 1 1815 . 1 1 227 227 MET HA H 1 4.376 0.02 . 1 . . . . 171 MET HA . 11053 1 1816 . 1 1 227 227 MET HB2 H 1 2.066 0.02 . 2 . . . . 171 MET HB2 . 11053 1 1817 . 1 1 227 227 MET HB3 H 1 2.066 0.02 . 2 . . . . 171 MET HB3 . 11053 1 1818 . 1 1 227 227 MET HG2 H 1 2.246 0.02 . 2 . . . . 171 MET HG2 . 11053 1 1819 . 1 1 227 227 MET HG3 H 1 2.246 0.02 . 2 . . . . 171 MET HG3 . 11053 1 1820 . 1 1 227 227 MET CA C 13 54.927 0.2 . 1 . . . . 171 MET CA . 11053 1 1821 . 1 1 227 227 MET CB C 13 35.767 0.2 . 1 . . . . 171 MET CB . 11053 1 1822 . 1 1 227 227 MET CG C 13 36.297 0.2 . 1 . . . . 171 MET CG . 11053 1 1823 . 1 1 227 227 MET N N 15 127.686 0.2 . 1 . . . . 171 MET N . 11053 1 1824 . 1 1 228 228 GLU H H 1 8.286 0.02 . 1 . . . . 172 GLU H . 11053 1 1825 . 1 1 228 228 GLU HA H 1 4.266 0.02 . 1 . . . . 172 GLU HA . 11053 1 1826 . 1 1 228 228 GLU HB2 H 1 1.936 0.02 . 2 . . . . 172 GLU HB2 . 11053 1 1827 . 1 1 228 228 GLU HB3 H 1 1.676 0.02 . 2 . . . . 172 GLU HB3 . 11053 1 1828 . 1 1 228 228 GLU HG2 H 1 2.366 0.02 . 2 . . . . 172 GLU HG2 . 11053 1 1829 . 1 1 228 228 GLU HG3 H 1 2.106 0.02 . 2 . . . . 172 GLU HG3 . 11053 1 1830 . 1 1 228 228 GLU CA C 13 55.157 0.2 . 1 . . . . 172 GLU CA . 11053 1 1831 . 1 1 228 228 GLU CB C 13 31.077 0.2 . 1 . . . . 172 GLU CB . 11053 1 1832 . 1 1 228 228 GLU CG C 13 35.857 0.2 . 1 . . . . 172 GLU CG . 11053 1 1833 . 1 1 228 228 GLU N N 15 120.856 0.2 . 1 . . . . 172 GLU N . 11053 1 1834 . 1 1 229 229 GLU H H 1 8.546 0.02 . 1 . . . . 173 GLU H . 11053 1 1835 . 1 1 229 229 GLU HA H 1 4.386 0.02 . 1 . . . . 173 GLU HA . 11053 1 1836 . 1 1 229 229 GLU HB2 H 1 1.936 0.02 . 2 . . . . 173 GLU HB2 . 11053 1 1837 . 1 1 229 229 GLU HB3 H 1 1.746 0.02 . 2 . . . . 173 GLU HB3 . 11053 1 1838 . 1 1 229 229 GLU HG2 H 1 2.186 0.02 . 2 . . . . 173 GLU HG2 . 11053 1 1839 . 1 1 229 229 GLU HG3 H 1 2.126 0.02 . 2 . . . . 173 GLU HG3 . 11053 1 1840 . 1 1 229 229 GLU CA C 13 54.697 0.2 . 1 . . . . 173 GLU CA . 11053 1 1841 . 1 1 229 229 GLU CB C 13 29.767 0.2 . 1 . . . . 173 GLU CB . 11053 1 1842 . 1 1 229 229 GLU CG C 13 36.167 0.2 . 1 . . . . 173 GLU CG . 11053 1 1843 . 1 1 229 229 GLU N N 15 123.136 0.2 . 1 . . . . 173 GLU N . 11053 1 1844 . 1 1 231 231 ALA H H 1 8.296 0.02 . 1 . . . . 175 ALA H . 11053 1 1845 . 1 1 231 231 ALA HA H 1 4.446 0.02 . 1 . . . . 175 ALA HA . 11053 1 1846 . 1 1 231 231 ALA HB1 H 1 1.226 0.02 . 1 . . . . 175 ALA MB . 11053 1 1847 . 1 1 231 231 ALA HB2 H 1 1.226 0.02 . 1 . . . . 175 ALA MB . 11053 1 1848 . 1 1 231 231 ALA HB3 H 1 1.226 0.02 . 1 . . . . 175 ALA MB . 11053 1 1849 . 1 1 231 231 ALA CA C 13 50.377 0.2 . 1 . . . . 175 ALA CA . 11053 1 1850 . 1 1 231 231 ALA CB C 13 18.127 0.2 . 1 . . . . 175 ALA CB . 11053 1 1851 . 1 1 231 231 ALA N N 15 125.616 0.2 . 1 . . . . 175 ALA N . 11053 1 1852 . 1 1 233 233 ALA H H 1 8.326 0.02 . 1 . . . . 177 ALA H . 11053 1 1853 . 1 1 233 233 ALA HA H 1 4.186 0.02 . 1 . . . . 177 ALA HA . 11053 1 1854 . 1 1 233 233 ALA HB1 H 1 1.276 0.02 . 1 . . . . 177 ALA MB . 11053 1 1855 . 1 1 233 233 ALA HB2 H 1 1.276 0.02 . 1 . . . . 177 ALA MB . 11053 1 1856 . 1 1 233 233 ALA HB3 H 1 1.276 0.02 . 1 . . . . 177 ALA MB . 11053 1 1857 . 1 1 233 233 ALA CA C 13 52.727 0.2 . 1 . . . . 177 ALA CA . 11053 1 1858 . 1 1 233 233 ALA CB C 13 19.337 0.2 . 1 . . . . 177 ALA CB . 11053 1 1859 . 1 1 233 233 ALA N N 15 124.436 0.2 . 1 . . . . 177 ALA N . 11053 1 1860 . 1 1 234 234 GLY H H 1 8.296 0.02 . 1 . . . . 178 GLY H . 11053 1 1861 . 1 1 234 234 GLY HA2 H 1 3.786 0.02 . 2 . . . . 178 GLY HA2 . 11053 1 1862 . 1 1 234 234 GLY HA3 H 1 3.786 0.02 . 2 . . . . 178 GLY HA3 . 11053 1 1863 . 1 1 234 234 GLY CA C 13 45.257 0.2 . 1 . . . . 178 GLY CA . 11053 1 1864 . 1 1 234 234 GLY N N 15 108.316 0.2 . 1 . . . . 178 GLY N . 11053 1 1865 . 1 1 235 235 PHE H H 1 7.926 0.02 . 1 . . . . 179 PHE H . 11053 1 1866 . 1 1 235 235 PHE HA H 1 4.836 0.02 . 1 . . . . 179 PHE HA . 11053 1 1867 . 1 1 235 235 PHE HB2 H 1 2.916 0.02 . 2 . . . . 179 PHE HB2 . 11053 1 1868 . 1 1 235 235 PHE HB3 H 1 2.916 0.02 . 2 . . . . 179 PHE HB3 . 11053 1 1869 . 1 1 235 235 PHE CA C 13 57.577 0.2 . 1 . . . . 179 PHE CA . 11053 1 1870 . 1 1 235 235 PHE CB C 13 39.947 0.2 . 1 . . . . 179 PHE CB . 11053 1 1871 . 1 1 235 235 PHE N N 15 119.736 0.2 . 1 . . . . 179 PHE N . 11053 1 1872 . 1 1 236 236 GLU H H 1 8.236 0.02 . 1 . . . . 180 GLU H . 11053 1 1873 . 1 1 236 236 GLU HA H 1 4.436 0.02 . 1 . . . . 180 GLU HA . 11053 1 1874 . 1 1 236 236 GLU HB2 H 1 1.906 0.02 . 2 . . . . 180 GLU HB2 . 11053 1 1875 . 1 1 236 236 GLU HB3 H 1 1.736 0.02 . 2 . . . . 180 GLU HB3 . 11053 1 1876 . 1 1 236 236 GLU HG2 H 1 2.126 0.02 . 2 . . . . 180 GLU HG2 . 11053 1 1877 . 1 1 236 236 GLU HG3 H 1 2.186 0.02 . 2 . . . . 180 GLU HG3 . 11053 1 1878 . 1 1 236 236 GLU CA C 13 54.407 0.2 . 1 . . . . 180 GLU CA . 11053 1 1879 . 1 1 236 236 GLU CB C 13 29.977 0.2 . 1 . . . . 180 GLU CB . 11053 1 1880 . 1 1 236 236 GLU CG C 13 36.127 0.2 . 1 . . . . 180 GLU CG . 11053 1 1881 . 1 1 236 236 GLU N N 15 124.606 0.2 . 1 . . . . 180 GLU N . 11053 1 1882 . 1 1 238 238 GLU H H 1 8.546 0.02 . 1 . . . . 182 GLU H . 11053 1 1883 . 1 1 238 238 GLU HA H 1 4.036 0.02 . 1 . . . . 182 GLU HA . 11053 1 1884 . 1 1 238 238 GLU HB2 H 1 1.896 0.02 . 2 . . . . 182 GLU HB2 . 11053 1 1885 . 1 1 238 238 GLU HB3 H 1 2.166 0.02 . 2 . . . . 182 GLU HB3 . 11053 1 1886 . 1 1 238 238 GLU HG2 H 1 2.186 0.02 . 2 . . . . 182 GLU HG2 . 11053 1 1887 . 1 1 238 238 GLU HG3 H 1 2.186 0.02 . 2 . . . . 182 GLU HG3 . 11053 1 1888 . 1 1 238 238 GLU CA C 13 57.617 0.2 . 1 . . . . 182 GLU CA . 11053 1 1889 . 1 1 238 238 GLU CB C 13 29.977 0.2 . 1 . . . . 182 GLU CB . 11053 1 1890 . 1 1 238 238 GLU CG C 13 37.907 0.2 . 1 . . . . 182 GLU CG . 11053 1 1891 . 1 1 238 238 GLU N N 15 120.186 0.2 . 1 . . . . 182 GLU N . 11053 1 1892 . 1 1 239 239 MET H H 1 8.166 0.02 . 1 . . . . 183 MET H . 11053 1 1893 . 1 1 239 239 MET HA H 1 4.286 0.02 . 1 . . . . 183 MET HA . 11053 1 1894 . 1 1 239 239 MET HB2 H 1 1.946 0.02 . 2 . . . . 183 MET HB2 . 11053 1 1895 . 1 1 239 239 MET HB3 H 1 1.946 0.02 . 2 . . . . 183 MET HB3 . 11053 1 1896 . 1 1 239 239 MET HG2 H 1 2.436 0.02 . 2 . . . . 183 MET HG2 . 11053 1 1897 . 1 1 239 239 MET HG3 H 1 2.436 0.02 . 2 . . . . 183 MET HG3 . 11053 1 1898 . 1 1 239 239 MET CA C 13 56.117 0.2 . 1 . . . . 183 MET CA . 11053 1 1899 . 1 1 239 239 MET CB C 13 32.537 0.2 . 1 . . . . 183 MET CB . 11053 1 1900 . 1 1 239 239 MET CG C 13 32.557 0.2 . 1 . . . . 183 MET CG . 11053 1 1901 . 1 1 239 239 MET N N 15 119.846 0.2 . 1 . . . . 183 MET N . 11053 1 1902 . 1 1 240 240 LEU H H 1 7.906 0.02 . 1 . . . . 184 LEU H . 11053 1 1903 . 1 1 240 240 LEU HA H 1 4.686 0.02 . 1 . . . . 184 LEU HA . 11053 1 1904 . 1 1 240 240 LEU HB2 H 1 1.526 0.02 . 2 . . . . 184 LEU HB2 . 11053 1 1905 . 1 1 240 240 LEU HB3 H 1 1.526 0.02 . 2 . . . . 184 LEU HB3 . 11053 1 1906 . 1 1 240 240 LEU HG H 1 1.466 0.02 . 1 . . . . 184 LEU HG . 11053 1 1907 . 1 1 240 240 LEU HD11 H 1 0.756 0.02 . 2 . . . . 184 LEU MD1 . 11053 1 1908 . 1 1 240 240 LEU HD12 H 1 0.756 0.02 . 2 . . . . 184 LEU MD1 . 11053 1 1909 . 1 1 240 240 LEU HD13 H 1 0.756 0.02 . 2 . . . . 184 LEU MD1 . 11053 1 1910 . 1 1 240 240 LEU HD21 H 1 0.386 0.02 . 2 . . . . 184 LEU MD2 . 11053 1 1911 . 1 1 240 240 LEU HD22 H 1 0.386 0.02 . 2 . . . . 184 LEU MD2 . 11053 1 1912 . 1 1 240 240 LEU HD23 H 1 0.386 0.02 . 2 . . . . 184 LEU MD2 . 11053 1 1913 . 1 1 240 240 LEU CA C 13 55.407 0.2 . 1 . . . . 184 LEU CA . 11053 1 1914 . 1 1 240 240 LEU CB C 13 42.307 0.2 . 1 . . . . 184 LEU CB . 11053 1 1915 . 1 1 240 240 LEU CG C 13 27.117 0.2 . 1 . . . . 184 LEU CG . 11053 1 1916 . 1 1 240 240 LEU CD1 C 13 23.487 0.2 . 2 . . . . 184 LEU CD1 . 11053 1 1917 . 1 1 240 240 LEU CD2 C 13 23.487 0.2 . 2 . . . . 184 LEU CD2 . 11053 1 1918 . 1 1 240 240 LEU N N 15 121.736 0.2 . 1 . . . . 184 LEU N . 11053 1 1919 . 1 1 241 241 ARG H H 1 7.916 0.02 . 1 . . . . 185 ARG H . 11053 1 1920 . 1 1 241 241 ARG HA H 1 4.216 0.02 . 1 . . . . 185 ARG HA . 11053 1 1921 . 1 1 241 241 ARG HB2 H 1 1.676 0.02 . 2 . . . . 185 ARG HB2 . 11053 1 1922 . 1 1 241 241 ARG HB3 H 1 1.736 0.02 . 2 . . . . 185 ARG HB3 . 11053 1 1923 . 1 1 241 241 ARG HG2 H 1 1.496 0.02 . 2 . . . . 185 ARG HG2 . 11053 1 1924 . 1 1 241 241 ARG HG3 H 1 1.536 0.02 . 2 . . . . 185 ARG HG3 . 11053 1 1925 . 1 1 241 241 ARG HD2 H 1 3.136 0.02 . 2 . . . . 185 ARG HD2 . 11053 1 1926 . 1 1 241 241 ARG HD3 H 1 3.136 0.02 . 2 . . . . 185 ARG HD3 . 11053 1 1927 . 1 1 241 241 ARG CA C 13 56.107 0.2 . 1 . . . . 185 ARG CA . 11053 1 1928 . 1 1 241 241 ARG CB C 13 30.947 0.2 . 1 . . . . 185 ARG CB . 11053 1 1929 . 1 1 241 241 ARG CG C 13 27.297 0.2 . 1 . . . . 185 ARG CG . 11053 1 1930 . 1 1 241 241 ARG CD C 13 43.497 0.2 . 1 . . . . 185 ARG CD . 11053 1 1931 . 1 1 241 241 ARG N N 15 121.256 0.2 . 1 . . . . 185 ARG N . 11053 1 1932 . 1 1 242 242 LYS H H 1 8.166 0.02 . 1 . . . . 186 LYS H . 11053 1 1933 . 1 1 242 242 LYS HA H 1 4.216 0.02 . 1 . . . . 186 LYS HA . 11053 1 1934 . 1 1 242 242 LYS HB2 H 1 1.646 0.02 . 2 . . . . 186 LYS HB2 . 11053 1 1935 . 1 1 242 242 LYS HB3 H 1 1.736 0.02 . 2 . . . . 186 LYS HB3 . 11053 1 1936 . 1 1 242 242 LYS HG2 H 1 1.346 0.02 . 2 . . . . 186 LYS HG2 . 11053 1 1937 . 1 1 242 242 LYS HG3 H 1 1.316 0.02 . 2 . . . . 186 LYS HG3 . 11053 1 1938 . 1 1 242 242 LYS HD2 H 1 1.596 0.02 . 2 . . . . 186 LYS HD2 . 11053 1 1939 . 1 1 242 242 LYS HD3 H 1 1.596 0.02 . 2 . . . . 186 LYS HD3 . 11053 1 1940 . 1 1 242 242 LYS HE2 H 1 2.816 0.02 . 2 . . . . 186 LYS HE2 . 11053 1 1941 . 1 1 242 242 LYS HE3 H 1 2.816 0.02 . 2 . . . . 186 LYS HE3 . 11053 1 1942 . 1 1 242 242 LYS CA C 13 56.357 0.2 . 1 . . . . 186 LYS CA . 11053 1 1943 . 1 1 242 242 LYS CB C 13 33.177 0.2 . 1 . . . . 186 LYS CB . 11053 1 1944 . 1 1 242 242 LYS CG C 13 24.737 0.2 . 1 . . . . 186 LYS CG . 11053 1 1945 . 1 1 242 242 LYS CD C 13 29.147 0.2 . 1 . . . . 186 LYS CD . 11053 1 1946 . 1 1 242 242 LYS CE C 13 40.047 0.2 . 1 . . . . 186 LYS CE . 11053 1 1947 . 1 1 242 242 LYS N N 15 123.486 0.2 . 1 . . . . 186 LYS N . 11053 1 1948 . 1 1 243 243 LYS H H 1 7.886 0.02 . 1 . . . . 187 LYS H . 11053 1 1949 . 1 1 243 243 LYS HA H 1 4.696 0.02 . 1 . . . . 187 LYS HA . 11053 1 1950 . 1 1 243 243 LYS HB2 H 1 1.606 0.02 . 2 . . . . 187 LYS HB2 . 11053 1 1951 . 1 1 243 243 LYS HB3 H 1 1.706 0.02 . 2 . . . . 187 LYS HB3 . 11053 1 1952 . 1 1 243 243 LYS HG2 H 1 1.306 0.02 . 2 . . . . 187 LYS HG2 . 11053 1 1953 . 1 1 243 243 LYS HG3 H 1 1.306 0.02 . 2 . . . . 187 LYS HG3 . 11053 1 1954 . 1 1 243 243 LYS HD2 H 1 1.556 0.02 . 2 . . . . 187 LYS HD2 . 11053 1 1955 . 1 1 243 243 LYS HD3 H 1 1.556 0.02 . 2 . . . . 187 LYS HD3 . 11053 1 1956 . 1 1 243 243 LYS HE2 H 1 2.806 0.02 . 2 . . . . 187 LYS HE2 . 11053 1 1957 . 1 1 243 243 LYS HE3 H 1 2.806 0.02 . 2 . . . . 187 LYS HE3 . 11053 1 1958 . 1 1 243 243 LYS CA C 13 57.837 0.2 . 1 . . . . 187 LYS CA . 11053 1 1959 . 1 1 243 243 LYS CB C 13 33.847 0.2 . 1 . . . . 187 LYS CB . 11053 1 1960 . 1 1 243 243 LYS CG C 13 24.837 0.2 . 1 . . . . 187 LYS CG . 11053 1 1961 . 1 1 243 243 LYS CD C 13 29.277 0.2 . 1 . . . . 187 LYS CD . 11053 1 1962 . 1 1 243 243 LYS CE C 13 40.187 0.2 . 1 . . . . 187 LYS CE . 11053 1 1963 . 1 1 243 243 LYS N N 15 128.316 0.2 . 1 . . . . 187 LYS N . 11053 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 63 11053 1 1 64 11053 1 1 65 11053 1 1 66 11053 1 2 175 11053 1 2 176 11053 1 2 177 11053 1 3 221 11053 1 3 222 11053 1 3 223 11053 1 3 224 11053 1 4 279 11053 1 4 280 11053 1 4 281 11053 1 4 282 11053 1 5 551 11053 1 5 552 11053 1 5 553 11053 1 6 568 11053 1 6 569 11053 1 6 570 11053 1 7 682 11053 1 7 683 11053 1 7 684 11053 1 7 685 11053 1 8 734 11053 1 8 735 11053 1 8 736 11053 1 9 786 11053 1 9 787 11053 1 9 788 11053 1 9 789 11053 1 10 840 11053 1 10 841 11053 1 10 842 11053 1 10 843 11053 1 11 933 11053 1 11 934 11053 1 11 935 11053 1 11 936 11053 1 12 945 11053 1 12 946 11053 1 12 947 11053 1 12 948 11053 1 13 975 11053 1 13 976 11053 1 13 977 11053 1 14 1059 11053 1 14 1060 11053 1 14 1063 11053 1 14 1064 11053 1 15 1298 11053 1 15 1299 11053 1 15 1302 11053 1 15 1303 11053 1 16 1363 11053 1 16 1364 11053 1 16 1365 11053 1 16 1366 11053 1 stop_ save_