data_6809 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6809 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'backbone chemical shifts' 'Structure analysis' . 6809 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6809 _Entry.Title ; Backbone 1H,13C, and 15N chemical shift assignments for rabbitpox encoded viral chemokine inhibitor (vCCI) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-06 _Entry.Accession_date 2005-09-06 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Michele DeRider . L. . 6809 2 Li Zhang . . . 6809 3 Patricia LiWang . J. . 6809 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6809 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 583 6809 '15N chemical shifts' 195 6809 '1H chemical shifts' 195 6809 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 . . 2007-02-08 2005-09-06 update BMRB 'complete entry citation' 6809 1 . . 2006-04-27 2005-09-06 original author 'original release' 6809 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FFK 'BMRB Entry Tracking System' 6809 PDB 2FIN 'BMRB Entry Tracking System' 6809 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6809 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16534540 _Citation.Full_citation . _Citation.Title ; Resonance Assignments and Secondary Structure of vCCI, a 26 kDa CC Chemokine Inhibitor from Rabbitpox Virus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 22 _Citation.Page_last 22 _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 Michele DeRider . L. . 6809 1 2 Li Zhang . . . 6809 1 3 Patricia LiWang . J. . 6809 1 stop_ save_ save_reference_citation _Citation.Sf_category citations _Citation.Sf_framecode reference_citation _Citation.Entry_ID 6809 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9123853 _Citation.Full_citation . _Citation.Title ; The T1/35kDa family of poxvirus-secreted proteins bind chemokines and modulate leukocyte influx into virus-infected tissues ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Virology _Citation.Journal_name_full . _Citation.Journal_volume 229 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 12 _Citation.Page_last 24 _Citation.Year 1997 _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 Kathryn Graham . A. . 6809 2 2 A.S. Lalani . S. . 6809 2 3 J.L. Macen . L. . 6809 2 4 T.L. Ness . L. . 6809 2 5 M. Barry . . . 6809 2 6 L.Y. Liu . Y. . 6809 2 7 A. Lucas . . . 6809 2 8 I. Clark-Lewis . . . 6809 2 9 Richard Moyer . W. . 6809 2 10 Grant Mcfadden . . . 6809 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6809 _Assembly.ID 1 _Assembly.Name 'rabbitpox vCCI' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states yes _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all disulfide bound' _Assembly.Molecular_mass 26130 _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID protein 6809 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'viral chemokine inhibitor' 1 $monomer . . yes native no yes . . . 6809 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide SING . 1 . 1 CYS 15 15 SG . 1 . 1 CYS 203 203 SG . . . . . . . . . . 6809 1 2 disulfide SING . 1 . 1 CYS 45 45 SG . 1 . 1 CYS 241 241 SG . . . . . . . . . . 6809 1 3 disulfide SING . 1 . 1 CYS 97 97 SG . 1 . 1 CYS 142 142 SG . . . . . . . . . . 6809 1 4 disulfide SING . 1 . 1 CYS 150 150 SG . 1 . 1 CYS 189 189 SG . . . . . . . . . . 6809 1 stop_ loop_ _Assembly_systematic_name.Name _Assembly_systematic_name.Naming_system _Assembly_systematic_name.Entry_ID _Assembly_systematic_name.Assembly_ID 'Secreted chemokine binding protein' . 6809 1 RPXV001 . 6809 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_monomer _Entity.Sf_category entity _Entity.Sf_framecode monomer _Entity.Entry_ID 6809 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name vCCI _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 ; MPASLQQSSSSSSSCTEEEN KHHMGIDVIIKVTKQDQTPT NDKICQSVTEITESESDPDP EVESEDDSTSVEDVDPPTTY YSIIGGGLRMNFGFTKCPQI KSISESADGNTVNARLSSVS PGQGKDSPAITHEEALAMIK DCEVSIDIRCSEEEKDSDIK THPVLGSNISHKKVSYEDII GSTIVDTKCVKNLEFSVRIG DMCKESSELEVKDGFKYVDG SASKGATDDTSLIDSTKLKA CV ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 242 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 7024 . rabbitpox_vCCI . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 6809 1 2 no PDB 2FFK . "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Minimized Average S" . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 6809 1 3 no PDB 2FIN . "Solution Structure Of The Complex Between Poxvirus-Encoded Cc Chemokine Inhibitor Vcci And Human Mip-1beta, Ensemble Structure" . . . . . 100.00 242 100.00 100.00 1.23e-171 . . . . 6809 1 4 no DBJ BAA00487 . "35K major secreted protein [Vaccinia virus]" . . . . . 100.00 258 99.17 99.59 7.76e-170 . . . . 6809 1 5 no EMBL CAA64086 . "D1L protein [Cowpox virus]" . . . . . 100.00 255 97.52 97.93 2.03e-165 . . . . 6809 1 6 no EMBL CAD90757 . "I5R protein [Cowpox virus]" . . . . . 100.00 255 97.52 97.93 2.03e-165 . . . . 6809 1 7 no EMBL CAM58165 . "viral chemokine binding protein [Vaccinia virus Ankara]" . . . . . 100.00 241 97.93 98.76 4.26e-166 . . . . 6809 1 8 no EMBL CAM58393 . "viral chemokine binding protein [Vaccinia virus Ankara]" . . . . . 100.00 241 97.93 98.76 4.26e-166 . . . . 6809 1 9 no GB AAA47970 . "putative C23L [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 6809 1 10 no GB AAA48229 . "putative B29R [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 6809 1 11 no GB AAB53969 . "35kDa major secreted protein [Rabbitpox virus]" . . . . . 100.00 258 100.00 100.00 1.14e-171 . . . . 6809 1 12 no GB AAF33853 . "TC20L [Vaccinia virus Tian Tan]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 6809 1 13 no GB AAF34094 . "TB23R [Vaccinia virus Tian Tan]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 6809 1 14 no REF YP_232883 . "chemokine-binding protein [Vaccinia virus]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 6809 1 15 no REF YP_233100 . "chemokine-binding protein [Vaccinia virus]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 6809 1 16 no SP P19063 . "RecName: Full=Chemokine-binding protein; Short=vCKBP; AltName: Full=35 kDa protein; Flags: Precursor [Vaccinia virus Lister]" . . . . . 100.00 258 99.17 99.59 7.76e-170 . . . . 6809 1 17 no SP P21090 . "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus Copenhagen]" . . . . . 100.00 244 98.76 99.59 7.88e-169 . . . . 6809 1 18 no SP Q805H7 . "RecName: Full=Inactive chemokine-binding protein; Short=vCKBP [Vaccinia virus WR]" . . . . . 100.00 244 99.17 100.00 5.90e-170 . . . . 6809 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID vCCI . 6809 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6809 1 2 . PRO . 6809 1 3 . ALA . 6809 1 4 . SER . 6809 1 5 . LEU . 6809 1 6 . GLN . 6809 1 7 . GLN . 6809 1 8 . SER . 6809 1 9 . SER . 6809 1 10 . SER . 6809 1 11 . SER . 6809 1 12 . SER . 6809 1 13 . SER . 6809 1 14 . SER . 6809 1 15 . CYS . 6809 1 16 . THR . 6809 1 17 . GLU . 6809 1 18 . GLU . 6809 1 19 . GLU . 6809 1 20 . ASN . 6809 1 21 . LYS . 6809 1 22 . HIS . 6809 1 23 . HIS . 6809 1 24 . MET . 6809 1 25 . GLY . 6809 1 26 . ILE . 6809 1 27 . ASP . 6809 1 28 . VAL . 6809 1 29 . ILE . 6809 1 30 . ILE . 6809 1 31 . LYS . 6809 1 32 . VAL . 6809 1 33 . THR . 6809 1 34 . LYS . 6809 1 35 . GLN . 6809 1 36 . ASP . 6809 1 37 . GLN . 6809 1 38 . THR . 6809 1 39 . PRO . 6809 1 40 . THR . 6809 1 41 . ASN . 6809 1 42 . ASP . 6809 1 43 . LYS . 6809 1 44 . ILE . 6809 1 45 . CYS . 6809 1 46 . GLN . 6809 1 47 . SER . 6809 1 48 . VAL . 6809 1 49 . THR . 6809 1 50 . GLU . 6809 1 51 . ILE . 6809 1 52 . THR . 6809 1 53 . GLU . 6809 1 54 . SER . 6809 1 55 . GLU . 6809 1 56 . SER . 6809 1 57 . ASP . 6809 1 58 . PRO . 6809 1 59 . ASP . 6809 1 60 . PRO . 6809 1 61 . GLU . 6809 1 62 . VAL . 6809 1 63 . GLU . 6809 1 64 . SER . 6809 1 65 . GLU . 6809 1 66 . ASP . 6809 1 67 . ASP . 6809 1 68 . SER . 6809 1 69 . THR . 6809 1 70 . SER . 6809 1 71 . VAL . 6809 1 72 . GLU . 6809 1 73 . ASP . 6809 1 74 . VAL . 6809 1 75 . ASP . 6809 1 76 . PRO . 6809 1 77 . PRO . 6809 1 78 . THR . 6809 1 79 . THR . 6809 1 80 . TYR . 6809 1 81 . TYR . 6809 1 82 . SER . 6809 1 83 . ILE . 6809 1 84 . ILE . 6809 1 85 . GLY . 6809 1 86 . GLY . 6809 1 87 . GLY . 6809 1 88 . LEU . 6809 1 89 . ARG . 6809 1 90 . MET . 6809 1 91 . ASN . 6809 1 92 . PHE . 6809 1 93 . GLY . 6809 1 94 . PHE . 6809 1 95 . THR . 6809 1 96 . LYS . 6809 1 97 . CYS . 6809 1 98 . PRO . 6809 1 99 . GLN . 6809 1 100 . ILE . 6809 1 101 . LYS . 6809 1 102 . SER . 6809 1 103 . ILE . 6809 1 104 . SER . 6809 1 105 . GLU . 6809 1 106 . SER . 6809 1 107 . ALA . 6809 1 108 . ASP . 6809 1 109 . GLY . 6809 1 110 . ASN . 6809 1 111 . THR . 6809 1 112 . VAL . 6809 1 113 . ASN . 6809 1 114 . ALA . 6809 1 115 . ARG . 6809 1 116 . LEU . 6809 1 117 . SER . 6809 1 118 . SER . 6809 1 119 . VAL . 6809 1 120 . SER . 6809 1 121 . PRO . 6809 1 122 . GLY . 6809 1 123 . GLN . 6809 1 124 . GLY . 6809 1 125 . LYS . 6809 1 126 . ASP . 6809 1 127 . SER . 6809 1 128 . PRO . 6809 1 129 . ALA . 6809 1 130 . ILE . 6809 1 131 . THR . 6809 1 132 . HIS . 6809 1 133 . GLU . 6809 1 134 . GLU . 6809 1 135 . ALA . 6809 1 136 . LEU . 6809 1 137 . ALA . 6809 1 138 . MET . 6809 1 139 . ILE . 6809 1 140 . LYS . 6809 1 141 . ASP . 6809 1 142 . CYS . 6809 1 143 . GLU . 6809 1 144 . VAL . 6809 1 145 . SER . 6809 1 146 . ILE . 6809 1 147 . ASP . 6809 1 148 . ILE . 6809 1 149 . ARG . 6809 1 150 . CYS . 6809 1 151 . SER . 6809 1 152 . GLU . 6809 1 153 . GLU . 6809 1 154 . GLU . 6809 1 155 . LYS . 6809 1 156 . ASP . 6809 1 157 . SER . 6809 1 158 . ASP . 6809 1 159 . ILE . 6809 1 160 . LYS . 6809 1 161 . THR . 6809 1 162 . HIS . 6809 1 163 . PRO . 6809 1 164 . VAL . 6809 1 165 . LEU . 6809 1 166 . GLY . 6809 1 167 . SER . 6809 1 168 . ASN . 6809 1 169 . ILE . 6809 1 170 . SER . 6809 1 171 . HIS . 6809 1 172 . LYS . 6809 1 173 . LYS . 6809 1 174 . VAL . 6809 1 175 . SER . 6809 1 176 . TYR . 6809 1 177 . GLU . 6809 1 178 . ASP . 6809 1 179 . ILE . 6809 1 180 . ILE . 6809 1 181 . GLY . 6809 1 182 . SER . 6809 1 183 . THR . 6809 1 184 . ILE . 6809 1 185 . VAL . 6809 1 186 . ASP . 6809 1 187 . THR . 6809 1 188 . LYS . 6809 1 189 . CYS . 6809 1 190 . VAL . 6809 1 191 . LYS . 6809 1 192 . ASN . 6809 1 193 . LEU . 6809 1 194 . GLU . 6809 1 195 . PHE . 6809 1 196 . SER . 6809 1 197 . VAL . 6809 1 198 . ARG . 6809 1 199 . ILE . 6809 1 200 . GLY . 6809 1 201 . ASP . 6809 1 202 . MET . 6809 1 203 . CYS . 6809 1 204 . LYS . 6809 1 205 . GLU . 6809 1 206 . SER . 6809 1 207 . SER . 6809 1 208 . GLU . 6809 1 209 . LEU . 6809 1 210 . GLU . 6809 1 211 . VAL . 6809 1 212 . LYS . 6809 1 213 . ASP . 6809 1 214 . GLY . 6809 1 215 . PHE . 6809 1 216 . LYS . 6809 1 217 . TYR . 6809 1 218 . VAL . 6809 1 219 . ASP . 6809 1 220 . GLY . 6809 1 221 . SER . 6809 1 222 . ALA . 6809 1 223 . SER . 6809 1 224 . LYS . 6809 1 225 . GLY . 6809 1 226 . ALA . 6809 1 227 . THR . 6809 1 228 . ASP . 6809 1 229 . ASP . 6809 1 230 . THR . 6809 1 231 . SER . 6809 1 232 . LEU . 6809 1 233 . ILE . 6809 1 234 . ASP . 6809 1 235 . SER . 6809 1 236 . THR . 6809 1 237 . LYS . 6809 1 238 . LEU . 6809 1 239 . LYS . 6809 1 240 . ALA . 6809 1 241 . CYS . 6809 1 242 . VAL . 6809 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6809 1 . PRO 2 2 6809 1 . ALA 3 3 6809 1 . SER 4 4 6809 1 . LEU 5 5 6809 1 . GLN 6 6 6809 1 . GLN 7 7 6809 1 . SER 8 8 6809 1 . SER 9 9 6809 1 . SER 10 10 6809 1 . SER 11 11 6809 1 . SER 12 12 6809 1 . SER 13 13 6809 1 . SER 14 14 6809 1 . CYS 15 15 6809 1 . THR 16 16 6809 1 . GLU 17 17 6809 1 . GLU 18 18 6809 1 . GLU 19 19 6809 1 . ASN 20 20 6809 1 . LYS 21 21 6809 1 . HIS 22 22 6809 1 . HIS 23 23 6809 1 . MET 24 24 6809 1 . GLY 25 25 6809 1 . ILE 26 26 6809 1 . ASP 27 27 6809 1 . VAL 28 28 6809 1 . ILE 29 29 6809 1 . ILE 30 30 6809 1 . LYS 31 31 6809 1 . VAL 32 32 6809 1 . THR 33 33 6809 1 . LYS 34 34 6809 1 . GLN 35 35 6809 1 . ASP 36 36 6809 1 . GLN 37 37 6809 1 . THR 38 38 6809 1 . PRO 39 39 6809 1 . THR 40 40 6809 1 . ASN 41 41 6809 1 . ASP 42 42 6809 1 . LYS 43 43 6809 1 . ILE 44 44 6809 1 . CYS 45 45 6809 1 . GLN 46 46 6809 1 . SER 47 47 6809 1 . VAL 48 48 6809 1 . THR 49 49 6809 1 . GLU 50 50 6809 1 . ILE 51 51 6809 1 . THR 52 52 6809 1 . GLU 53 53 6809 1 . SER 54 54 6809 1 . GLU 55 55 6809 1 . SER 56 56 6809 1 . ASP 57 57 6809 1 . PRO 58 58 6809 1 . ASP 59 59 6809 1 . PRO 60 60 6809 1 . GLU 61 61 6809 1 . VAL 62 62 6809 1 . GLU 63 63 6809 1 . SER 64 64 6809 1 . GLU 65 65 6809 1 . ASP 66 66 6809 1 . ASP 67 67 6809 1 . SER 68 68 6809 1 . THR 69 69 6809 1 . SER 70 70 6809 1 . VAL 71 71 6809 1 . GLU 72 72 6809 1 . ASP 73 73 6809 1 . VAL 74 74 6809 1 . ASP 75 75 6809 1 . PRO 76 76 6809 1 . PRO 77 77 6809 1 . THR 78 78 6809 1 . THR 79 79 6809 1 . TYR 80 80 6809 1 . TYR 81 81 6809 1 . SER 82 82 6809 1 . ILE 83 83 6809 1 . ILE 84 84 6809 1 . GLY 85 85 6809 1 . GLY 86 86 6809 1 . GLY 87 87 6809 1 . LEU 88 88 6809 1 . ARG 89 89 6809 1 . MET 90 90 6809 1 . ASN 91 91 6809 1 . PHE 92 92 6809 1 . GLY 93 93 6809 1 . PHE 94 94 6809 1 . THR 95 95 6809 1 . LYS 96 96 6809 1 . CYS 97 97 6809 1 . PRO 98 98 6809 1 . GLN 99 99 6809 1 . ILE 100 100 6809 1 . LYS 101 101 6809 1 . SER 102 102 6809 1 . ILE 103 103 6809 1 . SER 104 104 6809 1 . GLU 105 105 6809 1 . SER 106 106 6809 1 . ALA 107 107 6809 1 . ASP 108 108 6809 1 . GLY 109 109 6809 1 . ASN 110 110 6809 1 . THR 111 111 6809 1 . VAL 112 112 6809 1 . ASN 113 113 6809 1 . ALA 114 114 6809 1 . ARG 115 115 6809 1 . LEU 116 116 6809 1 . SER 117 117 6809 1 . SER 118 118 6809 1 . VAL 119 119 6809 1 . SER 120 120 6809 1 . PRO 121 121 6809 1 . GLY 122 122 6809 1 . GLN 123 123 6809 1 . GLY 124 124 6809 1 . LYS 125 125 6809 1 . ASP 126 126 6809 1 . SER 127 127 6809 1 . PRO 128 128 6809 1 . ALA 129 129 6809 1 . ILE 130 130 6809 1 . THR 131 131 6809 1 . HIS 132 132 6809 1 . GLU 133 133 6809 1 . GLU 134 134 6809 1 . ALA 135 135 6809 1 . LEU 136 136 6809 1 . ALA 137 137 6809 1 . MET 138 138 6809 1 . ILE 139 139 6809 1 . LYS 140 140 6809 1 . ASP 141 141 6809 1 . CYS 142 142 6809 1 . GLU 143 143 6809 1 . VAL 144 144 6809 1 . SER 145 145 6809 1 . ILE 146 146 6809 1 . ASP 147 147 6809 1 . ILE 148 148 6809 1 . ARG 149 149 6809 1 . CYS 150 150 6809 1 . SER 151 151 6809 1 . GLU 152 152 6809 1 . GLU 153 153 6809 1 . GLU 154 154 6809 1 . LYS 155 155 6809 1 . ASP 156 156 6809 1 . SER 157 157 6809 1 . ASP 158 158 6809 1 . ILE 159 159 6809 1 . LYS 160 160 6809 1 . THR 161 161 6809 1 . HIS 162 162 6809 1 . PRO 163 163 6809 1 . VAL 164 164 6809 1 . LEU 165 165 6809 1 . GLY 166 166 6809 1 . SER 167 167 6809 1 . ASN 168 168 6809 1 . ILE 169 169 6809 1 . SER 170 170 6809 1 . HIS 171 171 6809 1 . LYS 172 172 6809 1 . LYS 173 173 6809 1 . VAL 174 174 6809 1 . SER 175 175 6809 1 . TYR 176 176 6809 1 . GLU 177 177 6809 1 . ASP 178 178 6809 1 . ILE 179 179 6809 1 . ILE 180 180 6809 1 . GLY 181 181 6809 1 . SER 182 182 6809 1 . THR 183 183 6809 1 . ILE 184 184 6809 1 . VAL 185 185 6809 1 . ASP 186 186 6809 1 . THR 187 187 6809 1 . LYS 188 188 6809 1 . CYS 189 189 6809 1 . VAL 190 190 6809 1 . LYS 191 191 6809 1 . ASN 192 192 6809 1 . LEU 193 193 6809 1 . GLU 194 194 6809 1 . PHE 195 195 6809 1 . SER 196 196 6809 1 . VAL 197 197 6809 1 . ARG 198 198 6809 1 . ILE 199 199 6809 1 . GLY 200 200 6809 1 . ASP 201 201 6809 1 . MET 202 202 6809 1 . CYS 203 203 6809 1 . LYS 204 204 6809 1 . GLU 205 205 6809 1 . SER 206 206 6809 1 . SER 207 207 6809 1 . GLU 208 208 6809 1 . LEU 209 209 6809 1 . GLU 210 210 6809 1 . VAL 211 211 6809 1 . LYS 212 212 6809 1 . ASP 213 213 6809 1 . GLY 214 214 6809 1 . PHE 215 215 6809 1 . LYS 216 216 6809 1 . TYR 217 217 6809 1 . VAL 218 218 6809 1 . ASP 219 219 6809 1 . GLY 220 220 6809 1 . SER 221 221 6809 1 . ALA 222 222 6809 1 . SER 223 223 6809 1 . LYS 224 224 6809 1 . GLY 225 225 6809 1 . ALA 226 226 6809 1 . THR 227 227 6809 1 . ASP 228 228 6809 1 . ASP 229 229 6809 1 . THR 230 230 6809 1 . SER 231 231 6809 1 . LEU 232 232 6809 1 . ILE 233 233 6809 1 . ASP 234 234 6809 1 . SER 235 235 6809 1 . THR 236 236 6809 1 . LYS 237 237 6809 1 . LEU 238 238 6809 1 . LYS 239 239 6809 1 . ALA 240 240 6809 1 . CYS 241 241 6809 1 . VAL 242 242 6809 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 6809 _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 $monomer . 32606 virus no . 'rabbitpox virus' . . Viruses 'Not applicable' Orthopoxvirus rabbitpox . . . . . . . . . . . . . . . . . . . . . 6809 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 6809 _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 $monomer . 'recombinant technology' . yeast 'Pichia pastoris' . . . SMD1168 . . . . . . . . . . . . pPIC9K . . . . . . . . . 6809 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6809 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'unbound vCCI' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 vCCI '[U-2H; U-15N; U-13C]' . . 1 $monomer . protein 2 . . mM . . . . 6809 1 2 NaCl . . . . . . salt 100 . . mM 10 . . . 6809 1 3 'Phosphate Buffer' . . . . . . buffer 20 . . mM . . . . 6809 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6809 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 20 mM Phosphate Buffer pH 7.0 100 mM NaCl DSS Protease Inhibitor ; 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' 120 5 mM 6809 1 pH 7.0 0.1 pH 6809 1 temperature 310 0.1 K 6809 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 6809 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID NIH . . 6809 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6809 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6809 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6809 _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 1H15N_HSQC no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 2 HNCA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 3 HN(CO)CA no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 4 HNCACB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 5 HN(COCA)CB no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 6 15N_HSQC-NOESY no 1 $1H15N_HSQC . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6809 1 stop_ save_ save_1H15N_HSQC _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N_HSQC _NMR_spec_expt.Entry_ID 6809 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N_HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_1 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6809 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6809 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6809 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6809 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6809 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _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 1H15N_HSQC 1 $sample_1 isotropic 6809 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 6809 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 2 2 PRO C C 13 178.2 0.2 . . . . . . 2 PRO C . 6809 1 2 . 1 1 2 2 PRO CA C 13 62.8 0.2 . . . . . . 2 PRO CA . 6809 1 3 . 1 1 2 2 PRO CB C 13 30.88 0.2 . . . . . . 2 PRO CB . 6809 1 4 . 1 1 3 3 ALA H H 1 8.364 0.05 . . . . . . 3 ALA H . 6809 1 5 . 1 1 3 3 ALA C C 13 174.8 0.2 . . . . . . 3 ALA C . 6809 1 6 . 1 1 3 3 ALA CA C 13 52.54 0.2 . . . . . . 3 ALA CA . 6809 1 7 . 1 1 3 3 ALA CB C 13 18.09 0.2 . . . . . . 3 ALA CB . 6809 1 8 . 1 1 3 3 ALA N N 15 123.67 0.2 . . . . . . 3 ALA N . 6809 1 9 . 1 1 4 4 SER H H 1 8.139 0.05 . . . . . . 4 SER H . 6809 1 10 . 1 1 4 4 SER C C 13 174.2 0.2 . . . . . . 4 SER C . 6809 1 11 . 1 1 4 4 SER CA C 13 58.16 0.2 . . . . . . 4 SER CA . 6809 1 12 . 1 1 4 4 SER CB C 13 63.06 0.2 . . . . . . 4 SER CB . 6809 1 13 . 1 1 4 4 SER N N 15 113.745 0.2 . . . . . . 4 SER N . 6809 1 14 . 1 1 5 5 LEU H H 1 8.058 0.05 . . . . . . 5 LEU H . 6809 1 15 . 1 1 5 5 LEU CA C 13 55.01 0.2 . . . . . . 5 LEU CA . 6809 1 16 . 1 1 5 5 LEU CB C 13 41.06 0.2 . . . . . . 5 LEU CB . 6809 1 17 . 1 1 5 5 LEU N N 15 123.251 0.2 . . . . . . 5 LEU N . 6809 1 18 . 1 1 6 6 GLN H H 1 8.153 0.05 . . . . . . 6 GLN H . 6809 1 19 . 1 1 6 6 GLN CA C 13 55.567 0.2 . . . . . . 6 GLN CA . 6809 1 20 . 1 1 6 6 GLN CB C 13 28.29 0.2 . . . . . . 6 GLN CB . 6809 1 21 . 1 1 6 6 GLN N N 15 120.232 0.2 . . . . . . 6 GLN N . 6809 1 22 . 1 1 16 16 THR C C 13 176.5 0.2 . . . . . . 16 THR C . 6809 1 23 . 1 1 16 16 THR CA C 13 61.76 0.2 . . . . . . 16 THR CA . 6809 1 24 . 1 1 16 16 THR CB C 13 68.49 0.2 . . . . . . 16 THR CB . 6809 1 25 . 1 1 17 17 GLU H H 1 8.482 0.05 . . . . . . 17 GLU H . 6809 1 26 . 1 1 17 17 GLU C C 13 176.4 0.2 . . . . . . 17 GLU C . 6809 1 27 . 1 1 17 17 GLU CA C 13 55.78 0.2 . . . . . . 17 GLU CA . 6809 1 28 . 1 1 17 17 GLU CB C 13 29.13 0.2 . . . . . . 17 GLU CB . 6809 1 29 . 1 1 17 17 GLU N N 15 123.697 0.2 . . . . . . 17 GLU N . 6809 1 30 . 1 1 18 18 GLU H H 1 8.273 0.05 . . . . . . 18 GLU H . 6809 1 31 . 1 1 18 18 GLU C C 13 176.5 0.2 . . . . . . 18 GLU C . 6809 1 32 . 1 1 18 18 GLU CA C 13 56.17 0.2 . . . . . . 18 GLU CA . 6809 1 33 . 1 1 18 18 GLU CB C 13 29.67 0.2 . . . . . . 18 GLU CB . 6809 1 34 . 1 1 18 18 GLU N N 15 121.933 0.2 . . . . . . 18 GLU N . 6809 1 35 . 1 1 19 19 GLU H H 1 8.477 0.05 . . . . . . 19 GLU H . 6809 1 36 . 1 1 19 19 GLU C C 13 173.9 0.2 . . . . . . 19 GLU C . 6809 1 37 . 1 1 19 19 GLU CA C 13 57.15 0.2 . . . . . . 19 GLU CA . 6809 1 38 . 1 1 19 19 GLU CB C 13 28.94 0.2 . . . . . . 19 GLU CB . 6809 1 39 . 1 1 19 19 GLU N N 15 122.531 0.2 . . . . . . 19 GLU N . 6809 1 40 . 1 1 20 20 ASN H H 1 8.654 0.05 . . . . . . 20 ASN H . 6809 1 41 . 1 1 20 20 ASN C C 13 175.3 0.2 . . . . . . 20 ASN C . 6809 1 42 . 1 1 20 20 ASN CA C 13 53.54 0.2 . . . . . . 20 ASN CA . 6809 1 43 . 1 1 20 20 ASN CB C 13 37.55 0.2 . . . . . . 20 ASN CB . 6809 1 44 . 1 1 20 20 ASN N N 15 116.126 0.2 . . . . . . 20 ASN N . 6809 1 45 . 1 1 21 21 LYS H H 1 7.157 0.05 . . . . . . 21 LYS H . 6809 1 46 . 1 1 21 21 LYS C C 13 175.2 0.2 . . . . . . 21 LYS C . 6809 1 47 . 1 1 21 21 LYS CA C 13 54.34 0.2 . . . . . . 21 LYS CA . 6809 1 48 . 1 1 21 21 LYS CB C 13 34.54 0.2 . . . . . . 21 LYS CB . 6809 1 49 . 1 1 21 21 LYS N N 15 116.318 0.2 . . . . . . 21 LYS N . 6809 1 50 . 1 1 22 22 HIS H H 1 9.243 0.05 . . . . . . 22 HIS H . 6809 1 51 . 1 1 22 22 HIS C C 13 174.5 0.2 . . . . . . 22 HIS C . 6809 1 52 . 1 1 22 22 HIS CA C 13 54.5 0.2 . . . . . . 22 HIS CA . 6809 1 53 . 1 1 22 22 HIS CB C 13 31.86 0.2 . . . . . . 22 HIS CB . 6809 1 54 . 1 1 22 22 HIS N N 15 116.744 0.2 . . . . . . 22 HIS N . 6809 1 55 . 1 1 23 23 HIS H H 1 9.935 0.05 . . . . . . 23 HIS H . 6809 1 56 . 1 1 23 23 HIS C C 13 176.6 0.2 . . . . . . 23 HIS C . 6809 1 57 . 1 1 23 23 HIS CA C 13 54.56 0.2 . . . . . . 23 HIS CA . 6809 1 58 . 1 1 23 23 HIS CB C 13 26.15 0.2 . . . . . . 23 HIS CB . 6809 1 59 . 1 1 23 23 HIS N N 15 127.945 0.2 . . . . . . 23 HIS N . 6809 1 60 . 1 1 24 24 MET H H 1 7.811 0.05 . . . . . . 24 MET H . 6809 1 61 . 1 1 24 24 MET C C 13 169.8 0.2 . . . . . . 24 MET C . 6809 1 62 . 1 1 24 24 MET CA C 13 52.7 0.2 . . . . . . 24 MET CA . 6809 1 63 . 1 1 24 24 MET CB C 13 29.02 0.2 . . . . . . 24 MET CB . 6809 1 64 . 1 1 24 24 MET N N 15 121.424 0.2 . . . . . . 24 MET N . 6809 1 65 . 1 1 25 25 GLY H H 1 9.549 0.05 . . . . . . 25 GLY H . 6809 1 66 . 1 1 25 25 GLY C C 13 172.4 0.2 . . . . . . 25 GLY C . 6809 1 67 . 1 1 25 25 GLY CA C 13 42.67 0.2 . . . . . . 25 GLY CA . 6809 1 68 . 1 1 25 25 GLY N N 15 109.442 0.2 . . . . . . 25 GLY N . 6809 1 69 . 1 1 26 26 ILE H H 1 8.241 0.05 . . . . . . 26 ILE H . 6809 1 70 . 1 1 26 26 ILE C C 13 173.7 0.2 . . . . . . 26 ILE C . 6809 1 71 . 1 1 26 26 ILE CA C 13 56.83 0.2 . . . . . . 26 ILE CA . 6809 1 72 . 1 1 26 26 ILE CB C 13 42.15 0.2 . . . . . . 26 ILE CB . 6809 1 73 . 1 1 26 26 ILE N N 15 115.232 0.2 . . . . . . 26 ILE N . 6809 1 74 . 1 1 27 27 ASP H H 1 8.872 0.05 . . . . . . 27 ASP H . 6809 1 75 . 1 1 27 27 ASP C C 13 174.4 0.2 . . . . . . 27 ASP C . 6809 1 76 . 1 1 27 27 ASP CA C 13 54.23 0.2 . . . . . . 27 ASP CA . 6809 1 77 . 1 1 27 27 ASP CB C 13 44.94 0.2 . . . . . . 27 ASP CB . 6809 1 78 . 1 1 27 27 ASP N N 15 127.124 0.2 . . . . . . 27 ASP N . 6809 1 79 . 1 1 28 28 VAL H H 1 9.402 0.05 . . . . . . 28 VAL H . 6809 1 80 . 1 1 28 28 VAL C C 13 173.8 0.2 . . . . . . 28 VAL C . 6809 1 81 . 1 1 28 28 VAL CA C 13 59.94 0.2 . . . . . . 28 VAL CA . 6809 1 82 . 1 1 28 28 VAL CB C 13 32.89 0.2 . . . . . . 28 VAL CB . 6809 1 83 . 1 1 28 28 VAL N N 15 127.881 0.2 . . . . . . 28 VAL N . 6809 1 84 . 1 1 29 29 ILE H H 1 8.637 0.05 . . . . . . 29 ILE H . 6809 1 85 . 1 1 29 29 ILE C C 13 171.1 0.2 . . . . . . 29 ILE C . 6809 1 86 . 1 1 29 29 ILE CA C 13 58.93 0.2 . . . . . . 29 ILE CA . 6809 1 87 . 1 1 29 29 ILE CB C 13 41.14 0.2 . . . . . . 29 ILE CB . 6809 1 88 . 1 1 29 29 ILE N N 15 118.678 0.2 . . . . . . 29 ILE N . 6809 1 89 . 1 1 30 30 ILE H H 1 8.853 0.05 . . . . . . 30 ILE H . 6809 1 90 . 1 1 30 30 ILE C C 13 176.3 0.2 . . . . . . 30 ILE C . 6809 1 91 . 1 1 30 30 ILE CA C 13 58.77 0.2 . . . . . . 30 ILE CA . 6809 1 92 . 1 1 30 30 ILE CB C 13 42.32 0.2 . . . . . . 30 ILE CB . 6809 1 93 . 1 1 30 30 ILE N N 15 121.109 0.2 . . . . . . 30 ILE N . 6809 1 94 . 1 1 31 31 LYS H H 1 8.956 0.05 . . . . . . 31 LYS H . 6809 1 95 . 1 1 31 31 LYS C C 13 174.2 0.2 . . . . . . 31 LYS C . 6809 1 96 . 1 1 31 31 LYS CA C 13 54.83 0.2 . . . . . . 31 LYS CA . 6809 1 97 . 1 1 31 31 LYS CB C 13 35.63 0.2 . . . . . . 31 LYS CB . 6809 1 98 . 1 1 31 31 LYS N N 15 127.149 0.2 . . . . . . 31 LYS N . 6809 1 99 . 1 1 32 32 VAL H H 1 9.718 0.05 . . . . . . 32 VAL H . 6809 1 100 . 1 1 32 32 VAL C C 13 174.8 0.2 . . . . . . 32 VAL C . 6809 1 101 . 1 1 32 32 VAL CA C 13 61.14 0.2 . . . . . . 32 VAL CA . 6809 1 102 . 1 1 32 32 VAL CB C 13 32.97 0.2 . . . . . . 32 VAL CB . 6809 1 103 . 1 1 32 32 VAL N N 15 129.923 0.2 . . . . . . 32 VAL N . 6809 1 104 . 1 1 33 33 THR H H 1 9.087 0.05 . . . . . . 33 THR H . 6809 1 105 . 1 1 33 33 THR C C 13 176.3 0.2 . . . . . . 33 THR C . 6809 1 106 . 1 1 33 33 THR CA C 13 61.74 0.2 . . . . . . 33 THR CA . 6809 1 107 . 1 1 33 33 THR CB C 13 68.44 0.2 . . . . . . 33 THR CB . 6809 1 108 . 1 1 33 33 THR N N 15 123.977 0.2 . . . . . . 33 THR N . 6809 1 109 . 1 1 34 34 LYS H H 1 9.124 0.05 . . . . . . 34 LYS H . 6809 1 110 . 1 1 34 34 LYS C C 13 176.6 0.2 . . . . . . 34 LYS C . 6809 1 111 . 1 1 34 34 LYS CA C 13 56.16 0.2 . . . . . . 34 LYS CA . 6809 1 112 . 1 1 34 34 LYS CB C 13 32 0.2 . . . . . . 34 LYS CB . 6809 1 113 . 1 1 34 34 LYS N N 15 128.151 0.2 . . . . . . 34 LYS N . 6809 1 114 . 1 1 35 35 GLN H H 1 7.395 0.05 . . . . . . 35 GLN H . 6809 1 115 . 1 1 35 35 GLN C C 13 175.5 0.2 . . . . . . 35 GLN C . 6809 1 116 . 1 1 35 35 GLN CA C 13 55.68 0.2 . . . . . . 35 GLN CA . 6809 1 117 . 1 1 35 35 GLN CB C 13 26.91 0.2 . . . . . . 35 GLN CB . 6809 1 118 . 1 1 35 35 GLN N N 15 116.253 0.2 . . . . . . 35 GLN N . 6809 1 119 . 1 1 36 36 ASP H H 1 8.748 0.05 . . . . . . 36 ASP H . 6809 1 120 . 1 1 36 36 ASP C C 13 174.2 0.2 . . . . . . 36 ASP C . 6809 1 121 . 1 1 36 36 ASP CA C 13 55.56 0.2 . . . . . . 36 ASP CA . 6809 1 122 . 1 1 36 36 ASP CB C 13 39.77 0.2 . . . . . . 36 ASP CB . 6809 1 123 . 1 1 36 36 ASP N N 15 122.606 0.2 . . . . . . 36 ASP N . 6809 1 124 . 1 1 37 37 GLN H H 1 7.773 0.05 . . . . . . 37 GLN H . 6809 1 125 . 1 1 37 37 GLN CA C 13 55.11 0.2 . . . . . . 37 GLN CA . 6809 1 126 . 1 1 37 37 GLN CB C 13 31.02 0.2 . . . . . . 37 GLN CB . 6809 1 127 . 1 1 37 37 GLN N N 15 121.995 0.2 . . . . . . 37 GLN N . 6809 1 128 . 1 1 38 38 THR H H 1 8.325 0.05 . . . . . . 38 THR H . 6809 1 129 . 1 1 38 38 THR CA C 13 58.31 0.2 . . . . . . 38 THR CA . 6809 1 130 . 1 1 38 38 THR CB C 13 70.35 0.2 . . . . . . 38 THR CB . 6809 1 131 . 1 1 38 38 THR N N 15 117.429 0.2 . . . . . . 38 THR N . 6809 1 132 . 1 1 39 39 PRO C C 13 173.8 0.2 . . . . . . 39 PRO C . 6809 1 133 . 1 1 39 39 PRO CA C 13 62.44 0.2 . . . . . . 39 PRO CA . 6809 1 134 . 1 1 39 39 PRO CB C 13 33.51 0.2 . . . . . . 39 PRO CB . 6809 1 135 . 1 1 40 40 THR H H 1 8.376 0.05 . . . . . . 40 THR H . 6809 1 136 . 1 1 40 40 THR C C 13 173 0.2 . . . . . . 40 THR C . 6809 1 137 . 1 1 40 40 THR CA C 13 62.26 0.2 . . . . . . 40 THR CA . 6809 1 138 . 1 1 40 40 THR CB C 13 68.73 0.2 . . . . . . 40 THR CB . 6809 1 139 . 1 1 40 40 THR N N 15 114.886 0.2 . . . . . . 40 THR N . 6809 1 140 . 1 1 41 41 ASN H H 1 8.392 0.05 . . . . . . 41 ASN H . 6809 1 141 . 1 1 41 41 ASN CA C 13 53.65 0.2 . . . . . . 41 ASN CA . 6809 1 142 . 1 1 41 41 ASN CB C 13 37.98 0.2 . . . . . . 41 ASN CB . 6809 1 143 . 1 1 41 41 ASN N N 15 123.575 0.2 . . . . . . 41 ASN N . 6809 1 144 . 1 1 42 42 ASP H H 1 8.286 0.05 . . . . . . 42 ASP H . 6809 1 145 . 1 1 42 42 ASP C C 13 176.7 0.2 . . . . . . 42 ASP C . 6809 1 146 . 1 1 42 42 ASP CA C 13 51.8 0.2 . . . . . . 42 ASP CA . 6809 1 147 . 1 1 42 42 ASP CB C 13 39.99 0.2 . . . . . . 42 ASP CB . 6809 1 148 . 1 1 42 42 ASP N N 15 122.521 0.2 . . . . . . 42 ASP N . 6809 1 149 . 1 1 43 43 LYS H H 1 8.332 0.05 . . . . . . 43 LYS H . 6809 1 150 . 1 1 43 43 LYS C C 13 176.5 0.2 . . . . . . 43 LYS C . 6809 1 151 . 1 1 43 43 LYS CA C 13 55.95 0.2 . . . . . . 43 LYS CA . 6809 1 152 . 1 1 43 43 LYS CB C 13 29.53 0.2 . . . . . . 43 LYS CB . 6809 1 153 . 1 1 43 43 LYS N N 15 121.354 0.2 . . . . . . 43 LYS N . 6809 1 154 . 1 1 44 44 ILE H H 1 7.493 0.05 . . . . . . 44 ILE H . 6809 1 155 . 1 1 44 44 ILE C C 13 175.7 0.2 . . . . . . 44 ILE C . 6809 1 156 . 1 1 44 44 ILE CA C 13 60.15 0.2 . . . . . . 44 ILE CA . 6809 1 157 . 1 1 44 44 ILE CB C 13 38.34 0.2 . . . . . . 44 ILE CB . 6809 1 158 . 1 1 44 44 ILE N N 15 115.523 0.2 . . . . . . 44 ILE N . 6809 1 159 . 1 1 45 45 CYS H H 1 8.704 0.05 . . . . . . 45 CYS H . 6809 1 160 . 1 1 45 45 CYS C C 13 177.8 0.2 . . . . . . 45 CYS C . 6809 1 161 . 1 1 45 45 CYS CA C 13 52.5 0.2 . . . . . . 45 CYS CA . 6809 1 162 . 1 1 45 45 CYS CB C 13 34.17 0.2 . . . . . . 45 CYS CB . 6809 1 163 . 1 1 45 45 CYS N N 15 109.713 0.2 . . . . . . 45 CYS N . 6809 1 164 . 1 1 46 46 GLN H H 1 9.026 0.05 . . . . . . 46 GLN H . 6809 1 165 . 1 1 46 46 GLN C C 13 172.8 0.2 . . . . . . 46 GLN C . 6809 1 166 . 1 1 46 46 GLN CA C 13 59.7 0.2 . . . . . . 46 GLN CA . 6809 1 167 . 1 1 46 46 GLN CB C 13 28.33 0.2 . . . . . . 46 GLN CB . 6809 1 168 . 1 1 46 46 GLN N N 15 119.744 0.2 . . . . . . 46 GLN N . 6809 1 169 . 1 1 47 47 SER H H 1 7.695 0.05 . . . . . . 47 SER H . 6809 1 170 . 1 1 47 47 SER C C 13 175.5 0.2 . . . . . . 47 SER C . 6809 1 171 . 1 1 47 47 SER CA C 13 58.14 0.2 . . . . . . 47 SER CA . 6809 1 172 . 1 1 47 47 SER CB C 13 63.97 0.2 . . . . . . 47 SER CB . 6809 1 173 . 1 1 47 47 SER N N 15 108.69 0.2 . . . . . . 47 SER N . 6809 1 174 . 1 1 48 48 VAL H H 1 8.494 0.05 . . . . . . 48 VAL H . 6809 1 175 . 1 1 48 48 VAL C C 13 172.2 0.2 . . . . . . 48 VAL C . 6809 1 176 . 1 1 48 48 VAL CA C 13 61.06 0.2 . . . . . . 48 VAL CA . 6809 1 177 . 1 1 48 48 VAL CB C 13 33.7 0.2 . . . . . . 48 VAL CB . 6809 1 178 . 1 1 48 48 VAL N N 15 124.911 0.2 . . . . . . 48 VAL N . 6809 1 179 . 1 1 49 49 THR H H 1 8.691 0.05 . . . . . . 49 THR H . 6809 1 180 . 1 1 49 49 THR C C 13 175.2 0.2 . . . . . . 49 THR C . 6809 1 181 . 1 1 49 49 THR CA C 13 60.51 0.2 . . . . . . 49 THR CA . 6809 1 182 . 1 1 49 49 THR CB C 13 70.9 0.2 . . . . . . 49 THR CB . 6809 1 183 . 1 1 49 49 THR N N 15 120.578 0.2 . . . . . . 49 THR N . 6809 1 184 . 1 1 50 50 GLU H H 1 8.515 0.05 . . . . . . 50 GLU H . 6809 1 185 . 1 1 50 50 GLU C C 13 174.9 0.2 . . . . . . 50 GLU C . 6809 1 186 . 1 1 50 50 GLU CA C 13 54.22 0.2 . . . . . . 50 GLU CA . 6809 1 187 . 1 1 50 50 GLU CB C 13 31.44 0.2 . . . . . . 50 GLU CB . 6809 1 188 . 1 1 50 50 GLU N N 15 125.909 0.2 . . . . . . 50 GLU N . 6809 1 189 . 1 1 51 51 ILE H H 1 8.882 0.05 . . . . . . 51 ILE H . 6809 1 190 . 1 1 51 51 ILE C C 13 174.4 0.2 . . . . . . 51 ILE C . 6809 1 191 . 1 1 51 51 ILE CA C 13 60.08 0.2 . . . . . . 51 ILE CA . 6809 1 192 . 1 1 51 51 ILE CB C 13 40.19 0.2 . . . . . . 51 ILE CB . 6809 1 193 . 1 1 51 51 ILE N N 15 126.522 0.2 . . . . . . 51 ILE N . 6809 1 194 . 1 1 52 52 THR H H 1 8.473 0.05 . . . . . . 52 THR H . 6809 1 195 . 1 1 52 52 THR C C 13 175.7 0.2 . . . . . . 52 THR C . 6809 1 196 . 1 1 52 52 THR CA C 13 60.77 0.2 . . . . . . 52 THR CA . 6809 1 197 . 1 1 52 52 THR CB C 13 69.48 0.2 . . . . . . 52 THR CB . 6809 1 198 . 1 1 52 52 THR N N 15 119.512 0.2 . . . . . . 52 THR N . 6809 1 199 . 1 1 53 53 GLU H H 1 8.561 0.05 . . . . . . 53 GLU H . 6809 1 200 . 1 1 53 53 GLU C C 13 174.4 0.2 . . . . . . 53 GLU C . 6809 1 201 . 1 1 53 53 GLU CA C 13 55.83 0.2 . . . . . . 53 GLU CA . 6809 1 202 . 1 1 53 53 GLU CB C 13 30.36 0.2 . . . . . . 53 GLU CB . 6809 1 203 . 1 1 53 53 GLU N N 15 124.239 0.2 . . . . . . 53 GLU N . 6809 1 204 . 1 1 54 54 SER H H 1 8.391 0.05 . . . . . . 54 SER H . 6809 1 205 . 1 1 54 54 SER CA C 13 57.67 0.2 . . . . . . 54 SER CA . 6809 1 206 . 1 1 54 54 SER CB C 13 63.59 0.2 . . . . . . 54 SER CB . 6809 1 207 . 1 1 54 54 SER N N 15 117.086 0.2 . . . . . . 54 SER N . 6809 1 208 . 1 1 55 55 GLU H H 1 8.546 0.05 . . . . . . 55 GLU H . 6809 1 209 . 1 1 55 55 GLU C C 13 173 0.2 . . . . . . 55 GLU C . 6809 1 210 . 1 1 55 55 GLU CA C 13 56.24 0.2 . . . . . . 55 GLU CA . 6809 1 211 . 1 1 55 55 GLU CB C 13 29.35 0.2 . . . . . . 55 GLU CB . 6809 1 212 . 1 1 55 55 GLU N N 15 122.991 0.2 . . . . . . 55 GLU N . 6809 1 213 . 1 1 56 56 SER H H 1 8.173 0.05 . . . . . . 56 SER H . 6809 1 214 . 1 1 56 56 SER CA C 13 57.75 0.2 . . . . . . 56 SER CA . 6809 1 215 . 1 1 56 56 SER CB C 13 63.55 0.2 . . . . . . 56 SER CB . 6809 1 216 . 1 1 56 56 SER N N 15 116.8 0.2 . . . . . . 56 SER N . 6809 1 217 . 1 1 57 57 ASP H H 1 8.349 0.05 . . . . . . 57 ASP H . 6809 1 218 . 1 1 57 57 ASP CA C 13 52.41 0.2 . . . . . . 57 ASP CA . 6809 1 219 . 1 1 57 57 ASP CB C 13 40.13 0.2 . . . . . . 57 ASP CB . 6809 1 220 . 1 1 57 57 ASP N N 15 123.634 0.2 . . . . . . 57 ASP N . 6809 1 221 . 1 1 58 58 PRO CA C 13 62.63 0.2 . . . . . . 58 PRO CA . 6809 1 222 . 1 1 58 58 PRO CB C 13 31 0.2 . . . . . . 58 PRO CB . 6809 1 223 . 1 1 59 59 ASP H H 1 8.366 0.05 . . . . . . 59 ASP H . 6809 1 224 . 1 1 59 59 ASP CA C 13 51.93 0.2 . . . . . . 59 ASP CA . 6809 1 225 . 1 1 59 59 ASP CB C 13 40.43 0.2 . . . . . . 59 ASP CB . 6809 1 226 . 1 1 59 59 ASP N N 15 121.845 0.2 . . . . . . 59 ASP N . 6809 1 227 . 1 1 60 60 PRO C C 13 176.7 0.2 . . . . . . 60 PRO C . 6809 1 228 . 1 1 60 60 PRO CA C 13 63.13 0.2 . . . . . . 60 PRO CA . 6809 1 229 . 1 1 60 60 PRO CB C 13 31.17 0.2 . . . . . . 60 PRO CB . 6809 1 230 . 1 1 61 61 GLU H H 1 8.441 0.05 . . . . . . 61 GLU H . 6809 1 231 . 1 1 61 61 GLU C C 13 176 0.2 . . . . . . 61 GLU C . 6809 1 232 . 1 1 61 61 GLU CA C 13 56.34 0.2 . . . . . . 61 GLU CA . 6809 1 233 . 1 1 61 61 GLU CB C 13 28.92 0.2 . . . . . . 61 GLU CB . 6809 1 234 . 1 1 61 61 GLU N N 15 119.426 0.2 . . . . . . 61 GLU N . 6809 1 235 . 1 1 62 62 VAL H H 1 7.763 0.05 . . . . . . 62 VAL H . 6809 1 236 . 1 1 62 62 VAL C C 13 176.4 0.2 . . . . . . 62 VAL C . 6809 1 237 . 1 1 62 62 VAL CA C 13 61.64 0.2 . . . . . . 62 VAL CA . 6809 1 238 . 1 1 62 62 VAL CB C 13 31.94 0.2 . . . . . . 62 VAL CB . 6809 1 239 . 1 1 62 62 VAL N N 15 119.486 0.2 . . . . . . 62 VAL N . 6809 1 240 . 1 1 63 63 GLU H H 1 8.39 0.05 . . . . . . 63 GLU H . 6809 1 241 . 1 1 63 63 GLU C C 13 174.6 0.2 . . . . . . 63 GLU C . 6809 1 242 . 1 1 63 63 GLU CA C 13 56.15 0.2 . . . . . . 63 GLU CA . 6809 1 243 . 1 1 63 63 GLU CB C 13 29.29 0.2 . . . . . . 63 GLU CB . 6809 1 244 . 1 1 63 63 GLU N N 15 124.407 0.2 . . . . . . 63 GLU N . 6809 1 245 . 1 1 64 64 SER H H 1 8.258 0.05 . . . . . . 64 SER H . 6809 1 246 . 1 1 64 64 SER C C 13 176.3 0.2 . . . . . . 64 SER C . 6809 1 247 . 1 1 64 64 SER CA C 13 57.7 0.2 . . . . . . 64 SER CA . 6809 1 248 . 1 1 64 64 SER CB C 13 63.57 0.2 . . . . . . 64 SER CB . 6809 1 249 . 1 1 64 64 SER N N 15 116.788 0.2 . . . . . . 64 SER N . 6809 1 250 . 1 1 65 65 GLU H H 1 8.511 0.05 . . . . . . 65 GLU H . 6809 1 251 . 1 1 65 65 GLU C C 13 176 0.2 . . . . . . 65 GLU C . 6809 1 252 . 1 1 65 65 GLU CA C 13 56.3 0.2 . . . . . . 65 GLU CA . 6809 1 253 . 1 1 65 65 GLU CB C 13 29.24 0.2 . . . . . . 65 GLU CB . 6809 1 254 . 1 1 65 65 GLU N N 15 122.871 0.2 . . . . . . 65 GLU N . 6809 1 255 . 1 1 66 66 ASP H H 1 8.226 0.05 . . . . . . 66 ASP H . 6809 1 256 . 1 1 66 66 ASP C C 13 176.7 0.2 . . . . . . 66 ASP C . 6809 1 257 . 1 1 66 66 ASP CA C 13 54.04 0.2 . . . . . . 66 ASP CA . 6809 1 258 . 1 1 66 66 ASP CB C 13 40.75 0.2 . . . . . . 66 ASP CB . 6809 1 259 . 1 1 66 66 ASP N N 15 120.556 0.2 . . . . . . 66 ASP N . 6809 1 260 . 1 1 67 67 ASP H H 1 8.249 0.05 . . . . . . 67 ASP H . 6809 1 261 . 1 1 67 67 ASP C C 13 175.1 0.2 . . . . . . 67 ASP C . 6809 1 262 . 1 1 67 67 ASP CA C 13 54 0.2 . . . . . . 67 ASP CA . 6809 1 263 . 1 1 67 67 ASP CB C 13 40.31 0.2 . . . . . . 67 ASP CB . 6809 1 264 . 1 1 67 67 ASP N N 15 120.909 0.2 . . . . . . 67 ASP N . 6809 1 265 . 1 1 68 68 SER H H 1 8.312 0.05 . . . . . . 68 SER H . 6809 1 266 . 1 1 68 68 SER C C 13 174.7 0.2 . . . . . . 68 SER C . 6809 1 267 . 1 1 68 68 SER CA C 13 58.6 0.2 . . . . . . 68 SER CA . 6809 1 268 . 1 1 68 68 SER CB C 13 63.18 0.2 . . . . . . 68 SER CB . 6809 1 269 . 1 1 68 68 SER N N 15 116.15 0.2 . . . . . . 68 SER N . 6809 1 270 . 1 1 69 69 THR H H 1 8.131 0.05 . . . . . . 69 THR H . 6809 1 271 . 1 1 69 69 THR C C 13 174.6 0.2 . . . . . . 69 THR C . 6809 1 272 . 1 1 69 69 THR CA C 13 61.8 0.2 . . . . . . 69 THR CA . 6809 1 273 . 1 1 69 69 THR CB C 13 68.93 0.2 . . . . . . 69 THR CB . 6809 1 274 . 1 1 69 69 THR N N 15 115.452 0.2 . . . . . . 69 THR N . 6809 1 275 . 1 1 70 70 SER H H 1 8.252 0.05 . . . . . . 70 SER H . 6809 1 276 . 1 1 70 70 SER C C 13 176.1 0.2 . . . . . . 70 SER C . 6809 1 277 . 1 1 70 70 SER CA C 13 57.81 0.2 . . . . . . 70 SER CA . 6809 1 278 . 1 1 70 70 SER CB C 13 63.24 0.2 . . . . . . 70 SER CB . 6809 1 279 . 1 1 70 70 SER N N 15 118.407 0.2 . . . . . . 70 SER N . 6809 1 280 . 1 1 71 71 VAL H H 1 8.12 0.05 . . . . . . 71 VAL H . 6809 1 281 . 1 1 71 71 VAL C C 13 176 0.2 . . . . . . 71 VAL C . 6809 1 282 . 1 1 71 71 VAL CA C 13 61.83 0.2 . . . . . . 71 VAL CA . 6809 1 283 . 1 1 71 71 VAL CB C 13 31.6 0.2 . . . . . . 71 VAL CB . 6809 1 284 . 1 1 71 71 VAL N N 15 121.416 0.2 . . . . . . 71 VAL N . 6809 1 285 . 1 1 72 72 GLU H H 1 8.313 0.05 . . . . . . 72 GLU H . 6809 1 286 . 1 1 72 72 GLU C C 13 175.8 0.2 . . . . . . 72 GLU C . 6809 1 287 . 1 1 72 72 GLU CA C 13 56.09 0.2 . . . . . . 72 GLU CA . 6809 1 288 . 1 1 72 72 GLU CB C 13 29.5 0.2 . . . . . . 72 GLU CB . 6809 1 289 . 1 1 72 72 GLU N N 15 123.335 0.2 . . . . . . 72 GLU N . 6809 1 290 . 1 1 73 73 ASP H H 1 8.239 0.05 . . . . . . 73 ASP H . 6809 1 291 . 1 1 73 73 ASP C C 13 175.8 0.2 . . . . . . 73 ASP C . 6809 1 292 . 1 1 73 73 ASP CA C 13 54.08 0.2 . . . . . . 73 ASP CA . 6809 1 293 . 1 1 73 73 ASP CB C 13 40.46 0.2 . . . . . . 73 ASP CB . 6809 1 294 . 1 1 73 73 ASP N N 15 121.357 0.2 . . . . . . 73 ASP N . 6809 1 295 . 1 1 74 74 VAL H H 1 7.899 0.05 . . . . . . 74 VAL H . 6809 1 296 . 1 1 74 74 VAL C C 13 176.9 0.2 . . . . . . 74 VAL C . 6809 1 297 . 1 1 74 74 VAL CA C 13 61.13 0.2 . . . . . . 74 VAL CA . 6809 1 298 . 1 1 74 74 VAL CB C 13 32.2 0.2 . . . . . . 74 VAL CB . 6809 1 299 . 1 1 74 74 VAL N N 15 119.061 0.2 . . . . . . 74 VAL N . 6809 1 300 . 1 1 75 75 ASP H H 1 8.346 0.05 . . . . . . 75 ASP H . 6809 1 301 . 1 1 75 75 ASP CA C 13 52.4 0.2 . . . . . . 75 ASP CA . 6809 1 302 . 1 1 75 75 ASP CB C 13 39.75 0.2 . . . . . . 75 ASP CB . 6809 1 303 . 1 1 75 75 ASP N N 15 125.157 0.2 . . . . . . 75 ASP N . 6809 1 304 . 1 1 77 77 PRO C C 13 173.5 0.2 . . . . . . 77 PRO C . 6809 1 305 . 1 1 77 77 PRO CA C 13 62.53 0.2 . . . . . . 77 PRO CA . 6809 1 306 . 1 1 77 77 PRO CB C 13 31.1 0.2 . . . . . . 77 PRO CB . 6809 1 307 . 1 1 78 78 THR H H 1 8.231 0.05 . . . . . . 78 THR H . 6809 1 308 . 1 1 78 78 THR C C 13 172.6 0.2 . . . . . . 78 THR C . 6809 1 309 . 1 1 78 78 THR CA C 13 62.35 0.2 . . . . . . 78 THR CA . 6809 1 310 . 1 1 78 78 THR CB C 13 70.28 0.2 . . . . . . 78 THR CB . 6809 1 311 . 1 1 78 78 THR N N 15 119.195 0.2 . . . . . . 78 THR N . 6809 1 312 . 1 1 79 79 THR H H 1 8.637 0.05 . . . . . . 79 THR H . 6809 1 313 . 1 1 79 79 THR C C 13 175.6 0.2 . . . . . . 79 THR C . 6809 1 314 . 1 1 79 79 THR CA C 13 61.97 0.2 . . . . . . 79 THR CA . 6809 1 315 . 1 1 79 79 THR CB C 13 69.97 0.2 . . . . . . 79 THR CB . 6809 1 316 . 1 1 79 79 THR N N 15 122.914 0.2 . . . . . . 79 THR N . 6809 1 317 . 1 1 80 80 TYR H H 1 9.144 0.05 . . . . . . 80 TYR H . 6809 1 318 . 1 1 80 80 TYR C C 13 175.6 0.2 . . . . . . 80 TYR C . 6809 1 319 . 1 1 80 80 TYR CA C 13 56.05 0.2 . . . . . . 80 TYR CA . 6809 1 320 . 1 1 80 80 TYR CB C 13 40.1 0.2 . . . . . . 80 TYR CB . 6809 1 321 . 1 1 80 80 TYR N N 15 125.245 0.2 . . . . . . 80 TYR N . 6809 1 322 . 1 1 81 81 TYR H H 1 9.348 0.05 . . . . . . 81 TYR H . 6809 1 323 . 1 1 81 81 TYR C C 13 175 0.2 . . . . . . 81 TYR C . 6809 1 324 . 1 1 81 81 TYR CA C 13 56.85 0.2 . . . . . . 81 TYR CA . 6809 1 325 . 1 1 81 81 TYR CB C 13 41.83 0.2 . . . . . . 81 TYR CB . 6809 1 326 . 1 1 81 81 TYR N N 15 118.775 0.2 . . . . . . 81 TYR N . 6809 1 327 . 1 1 82 82 SER H H 1 8.889 0.05 . . . . . . 82 SER H . 6809 1 328 . 1 1 82 82 SER C C 13 176.6 0.2 . . . . . . 82 SER C . 6809 1 329 . 1 1 82 82 SER CA C 13 56.29 0.2 . . . . . . 82 SER CA . 6809 1 330 . 1 1 82 82 SER CB C 13 63.87 0.2 . . . . . . 82 SER CB . 6809 1 331 . 1 1 82 82 SER N N 15 116.874 0.2 . . . . . . 82 SER N . 6809 1 332 . 1 1 83 83 ILE H H 1 9.542 0.05 . . . . . . 83 ILE H . 6809 1 333 . 1 1 83 83 ILE C C 13 175.4 0.2 . . . . . . 83 ILE C . 6809 1 334 . 1 1 83 83 ILE CA C 13 60.18 0.2 . . . . . . 83 ILE CA . 6809 1 335 . 1 1 83 83 ILE CB C 13 39.46 0.2 . . . . . . 83 ILE CB . 6809 1 336 . 1 1 83 83 ILE N N 15 126.848 0.2 . . . . . . 83 ILE N . 6809 1 337 . 1 1 84 84 ILE H H 1 9.412 0.05 . . . . . . 84 ILE H . 6809 1 338 . 1 1 84 84 ILE C C 13 176 0.2 . . . . . . 84 ILE C . 6809 1 339 . 1 1 84 84 ILE CA C 13 60.38 0.2 . . . . . . 84 ILE CA . 6809 1 340 . 1 1 84 84 ILE CB C 13 37.1 0.2 . . . . . . 84 ILE CB . 6809 1 341 . 1 1 84 84 ILE N N 15 133.167 0.2 . . . . . . 84 ILE N . 6809 1 342 . 1 1 85 85 GLY H H 1 8.731 0.05 . . . . . . 85 GLY H . 6809 1 343 . 1 1 85 85 GLY C C 13 175.4 0.2 . . . . . . 85 GLY C . 6809 1 344 . 1 1 85 85 GLY CA C 13 45.74 0.2 . . . . . . 85 GLY CA . 6809 1 345 . 1 1 85 85 GLY N N 15 116.138 0.2 . . . . . . 85 GLY N . 6809 1 346 . 1 1 86 86 GLY H H 1 8.264 0.05 . . . . . . 86 GLY H . 6809 1 347 . 1 1 86 86 GLY C C 13 174.5 0.2 . . . . . . 86 GLY C . 6809 1 348 . 1 1 86 86 GLY CA C 13 45.99 0.2 . . . . . . 86 GLY CA . 6809 1 349 . 1 1 86 86 GLY N N 15 112.39 0.2 . . . . . . 86 GLY N . 6809 1 350 . 1 1 87 87 GLY H H 1 8.656 0.05 . . . . . . 87 GLY H . 6809 1 351 . 1 1 87 87 GLY C C 13 174.7 0.2 . . . . . . 87 GLY C . 6809 1 352 . 1 1 87 87 GLY CA C 13 44.51 0.2 . . . . . . 87 GLY CA . 6809 1 353 . 1 1 87 87 GLY N N 15 106.942 0.2 . . . . . . 87 GLY N . 6809 1 354 . 1 1 88 88 LEU H H 1 7.584 0.05 . . . . . . 88 LEU H . 6809 1 355 . 1 1 88 88 LEU C C 13 174.6 0.2 . . . . . . 88 LEU C . 6809 1 356 . 1 1 88 88 LEU CA C 13 52.44 0.2 . . . . . . 88 LEU CA . 6809 1 357 . 1 1 88 88 LEU CB C 13 45.34 0.2 . . . . . . 88 LEU CB . 6809 1 358 . 1 1 88 88 LEU N N 15 119.34 0.2 . . . . . . 88 LEU N . 6809 1 359 . 1 1 89 89 ARG H H 1 8.807 0.05 . . . . . . 89 ARG H . 6809 1 360 . 1 1 89 89 ARG CA C 13 54.76 0.2 . . . . . . 89 ARG CA . 6809 1 361 . 1 1 89 89 ARG CB C 13 30.93 0.2 . . . . . . 89 ARG CB . 6809 1 362 . 1 1 89 89 ARG N N 15 121.938 0.2 . . . . . . 89 ARG N . 6809 1 363 . 1 1 90 90 MET H H 1 8.833 0.05 . . . . . . 90 MET H . 6809 1 364 . 1 1 90 90 MET C C 13 174.2 0.2 . . . . . . 90 MET C . 6809 1 365 . 1 1 90 90 MET CA C 13 55.23 0.2 . . . . . . 90 MET CA . 6809 1 366 . 1 1 90 90 MET CB C 13 34.37 0.2 . . . . . . 90 MET CB . 6809 1 367 . 1 1 90 90 MET N N 15 124.939 0.2 . . . . . . 90 MET N . 6809 1 368 . 1 1 91 91 ASN H H 1 8.631 0.05 . . . . . . 91 ASN H . 6809 1 369 . 1 1 91 91 ASN C C 13 174.7 0.2 . . . . . . 91 ASN C . 6809 1 370 . 1 1 91 91 ASN CA C 13 51.39 0.2 . . . . . . 91 ASN CA . 6809 1 371 . 1 1 91 91 ASN CB C 13 39.26 0.2 . . . . . . 91 ASN CB . 6809 1 372 . 1 1 91 91 ASN N N 15 122.904 0.2 . . . . . . 91 ASN N . 6809 1 373 . 1 1 92 92 PHE H H 1 9.38 0.05 . . . . . . 92 PHE H . 6809 1 374 . 1 1 92 92 PHE C C 13 172.1 0.2 . . . . . . 92 PHE C . 6809 1 375 . 1 1 92 92 PHE CA C 13 55.74 0.2 . . . . . . 92 PHE CA . 6809 1 376 . 1 1 92 92 PHE CB C 13 43.24 0.2 . . . . . . 92 PHE CB . 6809 1 377 . 1 1 92 92 PHE N N 15 123.05 0.2 . . . . . . 92 PHE N . 6809 1 378 . 1 1 93 93 GLY H H 1 8.627 0.05 . . . . . . 93 GLY H . 6809 1 379 . 1 1 93 93 GLY C C 13 175.5 0.2 . . . . . . 93 GLY C . 6809 1 380 . 1 1 93 93 GLY CA C 13 44.45 0.2 . . . . . . 93 GLY CA . 6809 1 381 . 1 1 93 93 GLY N N 15 110.528 0.2 . . . . . . 93 GLY N . 6809 1 382 . 1 1 94 94 PHE H H 1 8.987 0.05 . . . . . . 94 PHE H . 6809 1 383 . 1 1 94 94 PHE C C 13 171.6 0.2 . . . . . . 94 PHE C . 6809 1 384 . 1 1 94 94 PHE CA C 13 56.89 0.2 . . . . . . 94 PHE CA . 6809 1 385 . 1 1 94 94 PHE CB C 13 41.88 0.2 . . . . . . 94 PHE CB . 6809 1 386 . 1 1 94 94 PHE N N 15 121.804 0.2 . . . . . . 94 PHE N . 6809 1 387 . 1 1 95 95 THR H H 1 9.028 0.05 . . . . . . 95 THR H . 6809 1 388 . 1 1 95 95 THR C C 13 174.5 0.2 . . . . . . 95 THR C . 6809 1 389 . 1 1 95 95 THR CA C 13 61.7 0.2 . . . . . . 95 THR CA . 6809 1 390 . 1 1 95 95 THR CB C 13 69.58 0.2 . . . . . . 95 THR CB . 6809 1 391 . 1 1 95 95 THR N N 15 123.731 0.2 . . . . . . 95 THR N . 6809 1 392 . 1 1 96 96 LYS H H 1 9.116 0.05 . . . . . . 96 LYS H . 6809 1 393 . 1 1 96 96 LYS C C 13 174.1 0.2 . . . . . . 96 LYS C . 6809 1 394 . 1 1 96 96 LYS CA C 13 57.42 0.2 . . . . . . 96 LYS CA . 6809 1 395 . 1 1 96 96 LYS CB C 13 27.45 0.2 . . . . . . 96 LYS CB . 6809 1 396 . 1 1 96 96 LYS N N 15 120.258 0.2 . . . . . . 96 LYS N . 6809 1 397 . 1 1 97 97 CYS H H 1 8.002 0.05 . . . . . . 97 CYS H . 6809 1 398 . 1 1 97 97 CYS CA C 13 53.56 0.2 . . . . . . 97 CYS CA . 6809 1 399 . 1 1 97 97 CYS CB C 13 43.35 0.2 . . . . . . 97 CYS CB . 6809 1 400 . 1 1 97 97 CYS N N 15 113.366 0.2 . . . . . . 97 CYS N . 6809 1 401 . 1 1 98 98 PRO C C 13 176.4 0.2 . . . . . . 98 PRO C . 6809 1 402 . 1 1 98 98 PRO CA C 13 62.18 0.2 . . . . . . 98 PRO CA . 6809 1 403 . 1 1 98 98 PRO CB C 13 30.89 0.2 . . . . . . 98 PRO CB . 6809 1 404 . 1 1 99 99 GLN H H 1 8.23 0.05 . . . . . . 99 GLN H . 6809 1 405 . 1 1 99 99 GLN C C 13 181.2 0.2 . . . . . . 99 GLN C . 6809 1 406 . 1 1 99 99 GLN CA C 13 56.06 0.2 . . . . . . 99 GLN CA . 6809 1 407 . 1 1 99 99 GLN CB C 13 28.58 0.2 . . . . . . 99 GLN CB . 6809 1 408 . 1 1 99 99 GLN N N 15 117.156 0.2 . . . . . . 99 GLN N . 6809 1 409 . 1 1 100 100 ILE H H 1 8.267 0.05 . . . . . . 100 ILE H . 6809 1 410 . 1 1 100 100 ILE C C 13 174.4 0.2 . . . . . . 100 ILE C . 6809 1 411 . 1 1 100 100 ILE CA C 13 58.4 0.2 . . . . . . 100 ILE CA . 6809 1 412 . 1 1 100 100 ILE CB C 13 35.31 0.2 . . . . . . 100 ILE CB . 6809 1 413 . 1 1 100 100 ILE N N 15 124.872 0.2 . . . . . . 100 ILE N . 6809 1 414 . 1 1 101 101 LYS H H 1 7.997 0.05 . . . . . . 101 LYS H . 6809 1 415 . 1 1 101 101 LYS C C 13 173.7 0.2 . . . . . . 101 LYS C . 6809 1 416 . 1 1 101 101 LYS CA C 13 54.79 0.2 . . . . . . 101 LYS CA . 6809 1 417 . 1 1 101 101 LYS CB C 13 35.68 0.2 . . . . . . 101 LYS CB . 6809 1 418 . 1 1 101 101 LYS N N 15 122.661 0.2 . . . . . . 101 LYS N . 6809 1 419 . 1 1 102 102 SER H H 1 7.949 0.05 . . . . . . 102 SER H . 6809 1 420 . 1 1 102 102 SER C C 13 174 0.2 . . . . . . 102 SER C . 6809 1 421 . 1 1 102 102 SER CA C 13 56.12 0.2 . . . . . . 102 SER CA . 6809 1 422 . 1 1 102 102 SER CB C 13 63.07 0.2 . . . . . . 102 SER CB . 6809 1 423 . 1 1 102 102 SER N N 15 115.163 0.2 . . . . . . 102 SER N . 6809 1 424 . 1 1 103 103 ILE H H 1 8.209 0.05 . . . . . . 103 ILE H . 6809 1 425 . 1 1 103 103 ILE C C 13 173.1 0.2 . . . . . . 103 ILE C . 6809 1 426 . 1 1 103 103 ILE CA C 13 61.36 0.2 . . . . . . 103 ILE CA . 6809 1 427 . 1 1 103 103 ILE CB C 13 40.39 0.2 . . . . . . 103 ILE CB . 6809 1 428 . 1 1 103 103 ILE N N 15 126.709 0.2 . . . . . . 103 ILE N . 6809 1 429 . 1 1 104 104 SER H H 1 9.101 0.05 . . . . . . 104 SER H . 6809 1 430 . 1 1 104 104 SER C C 13 174.8 0.2 . . . . . . 104 SER C . 6809 1 431 . 1 1 104 104 SER CA C 13 57.44 0.2 . . . . . . 104 SER CA . 6809 1 432 . 1 1 104 104 SER CB C 13 66.51 0.2 . . . . . . 104 SER CB . 6809 1 433 . 1 1 104 104 SER N N 15 123.631 0.2 . . . . . . 104 SER N . 6809 1 434 . 1 1 105 105 GLU H H 1 8.636 0.05 . . . . . . 105 GLU H . 6809 1 435 . 1 1 105 105 GLU C C 13 171.8 0.2 . . . . . . 105 GLU C . 6809 1 436 . 1 1 105 105 GLU CA C 13 54.78 0.2 . . . . . . 105 GLU CA . 6809 1 437 . 1 1 105 105 GLU CB C 13 35.13 0.2 . . . . . . 105 GLU CB . 6809 1 438 . 1 1 105 105 GLU N N 15 116.114 0.2 . . . . . . 105 GLU N . 6809 1 439 . 1 1 106 106 SER H H 1 9.083 0.05 . . . . . . 106 SER H . 6809 1 440 . 1 1 106 106 SER C C 13 176 0.2 . . . . . . 106 SER C . 6809 1 441 . 1 1 106 106 SER CA C 13 57.7 0.2 . . . . . . 106 SER CA . 6809 1 442 . 1 1 106 106 SER CB C 13 66.33 0.2 . . . . . . 106 SER CB . 6809 1 443 . 1 1 106 106 SER N N 15 113.7 0.2 . . . . . . 106 SER N . 6809 1 444 . 1 1 107 107 ALA H H 1 8.829 0.05 . . . . . . 107 ALA H . 6809 1 445 . 1 1 107 107 ALA CA C 13 51.41 0.2 . . . . . . 107 ALA CA . 6809 1 446 . 1 1 107 107 ALA CB C 13 20.84 0.2 . . . . . . 107 ALA CB . 6809 1 447 . 1 1 107 107 ALA N N 15 121.942 0.2 . . . . . . 107 ALA N . 6809 1 448 . 1 1 108 108 ASP H H 1 8.265 0.05 . . . . . . 108 ASP H . 6809 1 449 . 1 1 108 108 ASP CA C 13 53.39 0.2 . . . . . . 108 ASP CA . 6809 1 450 . 1 1 108 108 ASP CB C 13 42.26 0.2 . . . . . . 108 ASP CB . 6809 1 451 . 1 1 108 108 ASP N N 15 120.541 0.2 . . . . . . 108 ASP N . 6809 1 452 . 1 1 110 110 ASN C C 13 174.3 0.2 . . . . . . 110 ASN C . 6809 1 453 . 1 1 110 110 ASN CA C 13 51.85 0.2 . . . . . . 110 ASN CA . 6809 1 454 . 1 1 110 110 ASN CB C 13 37.91 0.2 . . . . . . 110 ASN CB . 6809 1 455 . 1 1 111 111 THR H H 1 8.267 0.05 . . . . . . 111 THR H . 6809 1 456 . 1 1 111 111 THR C C 13 173.3 0.2 . . . . . . 111 THR C . 6809 1 457 . 1 1 111 111 THR CA C 13 60.95 0.2 . . . . . . 111 THR CA . 6809 1 458 . 1 1 111 111 THR CB C 13 70.83 0.2 . . . . . . 111 THR CB . 6809 1 459 . 1 1 111 111 THR N N 15 114.48 0.2 . . . . . . 111 THR N . 6809 1 460 . 1 1 112 112 VAL H H 1 9.24 0.05 . . . . . . 112 VAL H . 6809 1 461 . 1 1 112 112 VAL C C 13 174.5 0.2 . . . . . . 112 VAL C . 6809 1 462 . 1 1 112 112 VAL CA C 13 61.38 0.2 . . . . . . 112 VAL CA . 6809 1 463 . 1 1 112 112 VAL CB C 13 33.91 0.2 . . . . . . 112 VAL CB . 6809 1 464 . 1 1 112 112 VAL N N 15 125.843 0.2 . . . . . . 112 VAL N . 6809 1 465 . 1 1 113 113 ASN H H 1 9.188 0.05 . . . . . . 113 ASN H . 6809 1 466 . 1 1 113 113 ASN C C 13 174.5 0.2 . . . . . . 113 ASN C . 6809 1 467 . 1 1 113 113 ASN CA C 13 50.54 0.2 . . . . . . 113 ASN CA . 6809 1 468 . 1 1 113 113 ASN CB C 13 41.16 0.2 . . . . . . 113 ASN CB . 6809 1 469 . 1 1 113 113 ASN N N 15 124.921 0.2 . . . . . . 113 ASN N . 6809 1 470 . 1 1 114 114 ALA H H 1 9.073 0.05 . . . . . . 114 ALA H . 6809 1 471 . 1 1 114 114 ALA C C 13 175.1 0.2 . . . . . . 114 ALA C . 6809 1 472 . 1 1 114 114 ALA CA C 13 50.93 0.2 . . . . . . 114 ALA CA . 6809 1 473 . 1 1 114 114 ALA CB C 13 22.06 0.2 . . . . . . 114 ALA CB . 6809 1 474 . 1 1 114 114 ALA N N 15 119.83 0.2 . . . . . . 114 ALA N . 6809 1 475 . 1 1 115 115 ARG H H 1 8.348 0.05 . . . . . . 115 ARG H . 6809 1 476 . 1 1 115 115 ARG C C 13 175.2 0.2 . . . . . . 115 ARG C . 6809 1 477 . 1 1 115 115 ARG CA C 13 54.38 0.2 . . . . . . 115 ARG CA . 6809 1 478 . 1 1 115 115 ARG CB C 13 33.89 0.2 . . . . . . 115 ARG CB . 6809 1 479 . 1 1 115 115 ARG N N 15 118.494 0.2 . . . . . . 115 ARG N . 6809 1 480 . 1 1 116 116 LEU H H 1 9.095 0.05 . . . . . . 116 LEU H . 6809 1 481 . 1 1 116 116 LEU C C 13 176.1 0.2 . . . . . . 116 LEU C . 6809 1 482 . 1 1 116 116 LEU CA C 13 54.62 0.2 . . . . . . 116 LEU CA . 6809 1 483 . 1 1 116 116 LEU CB C 13 42.76 0.2 . . . . . . 116 LEU CB . 6809 1 484 . 1 1 116 116 LEU N N 15 129.319 0.2 . . . . . . 116 LEU N . 6809 1 485 . 1 1 117 117 SER H H 1 9.4 0.05 . . . . . . 117 SER H . 6809 1 486 . 1 1 117 117 SER C C 13 171.3 0.2 . . . . . . 117 SER C . 6809 1 487 . 1 1 117 117 SER CA C 13 57.4 0.2 . . . . . . 117 SER CA . 6809 1 488 . 1 1 117 117 SER CB C 13 69.65 0.2 . . . . . . 117 SER CB . 6809 1 489 . 1 1 117 117 SER N N 15 115.539 0.2 . . . . . . 117 SER N . 6809 1 490 . 1 1 118 118 SER H H 1 8.889 0.05 . . . . . . 118 SER H . 6809 1 491 . 1 1 118 118 SER C C 13 174.7 0.2 . . . . . . 118 SER C . 6809 1 492 . 1 1 118 118 SER CA C 13 58.52 0.2 . . . . . . 118 SER CA . 6809 1 493 . 1 1 118 118 SER CB C 13 63.45 0.2 . . . . . . 118 SER CB . 6809 1 494 . 1 1 118 118 SER N N 15 118.064 0.2 . . . . . . 118 SER N . 6809 1 495 . 1 1 119 119 VAL H H 1 8.087 0.05 . . . . . . 119 VAL H . 6809 1 496 . 1 1 119 119 VAL C C 13 176.6 0.2 . . . . . . 119 VAL C . 6809 1 497 . 1 1 119 119 VAL CA C 13 59.89 0.2 . . . . . . 119 VAL CA . 6809 1 498 . 1 1 119 119 VAL CB C 13 33.34 0.2 . . . . . . 119 VAL CB . 6809 1 499 . 1 1 119 119 VAL N N 15 119.304 0.2 . . . . . . 119 VAL N . 6809 1 500 . 1 1 120 120 SER H H 1 8.445 0.05 . . . . . . 120 SER H . 6809 1 501 . 1 1 120 120 SER CA C 13 56.25 0.2 . . . . . . 120 SER CA . 6809 1 502 . 1 1 120 120 SER CB C 13 61.44 0.2 . . . . . . 120 SER CB . 6809 1 503 . 1 1 120 120 SER N N 15 123.23 0.2 . . . . . . 120 SER N . 6809 1 504 . 1 1 121 121 PRO C C 13 175.5 0.2 . . . . . . 121 PRO C . 6809 1 505 . 1 1 121 121 PRO CA C 13 62.65 0.2 . . . . . . 121 PRO CA . 6809 1 506 . 1 1 121 121 PRO CB C 13 31.47 0.2 . . . . . . 121 PRO CB . 6809 1 507 . 1 1 122 122 GLY H H 1 8.779 0.05 . . . . . . 122 GLY H . 6809 1 508 . 1 1 122 122 GLY CA C 13 45.13 0.2 . . . . . . 122 GLY CA . 6809 1 509 . 1 1 122 122 GLY N N 15 108.944 0.2 . . . . . . 122 GLY N . 6809 1 510 . 1 1 123 123 GLN H H 1 8.509 0.05 . . . . . . 123 GLN H . 6809 1 511 . 1 1 123 123 GLN C C 13 173.9 0.2 . . . . . . 123 GLN C . 6809 1 512 . 1 1 123 123 GLN CA C 13 54.51 0.2 . . . . . . 123 GLN CA . 6809 1 513 . 1 1 123 123 GLN CB C 13 30.19 0.2 . . . . . . 123 GLN CB . 6809 1 514 . 1 1 123 123 GLN N N 15 118.117 0.2 . . . . . . 123 GLN N . 6809 1 515 . 1 1 124 124 GLY H H 1 8.492 0.05 . . . . . . 124 GLY H . 6809 1 516 . 1 1 124 124 GLY CA C 13 44.98 0.2 . . . . . . 124 GLY CA . 6809 1 517 . 1 1 124 124 GLY N N 15 107.569 0.2 . . . . . . 124 GLY N . 6809 1 518 . 1 1 125 125 LYS H H 1 7.408 0.05 . . . . . . 125 LYS H . 6809 1 519 . 1 1 125 125 LYS CA C 13 52.85 0.2 . . . . . . 125 LYS CA . 6809 1 520 . 1 1 125 125 LYS CB C 13 32.63 0.2 . . . . . . 125 LYS CB . 6809 1 521 . 1 1 125 125 LYS N N 15 117.839 0.2 . . . . . . 125 LYS N . 6809 1 522 . 1 1 126 126 ASP C C 13 176.6 0.2 . . . . . . 126 ASP C . 6809 1 523 . 1 1 126 126 ASP CA C 13 55.01 0.2 . . . . . . 126 ASP CA . 6809 1 524 . 1 1 126 126 ASP CB C 13 40.74 0.2 . . . . . . 126 ASP CB . 6809 1 525 . 1 1 127 127 SER H H 1 8.412 0.05 . . . . . . 127 SER H . 6809 1 526 . 1 1 127 127 SER CA C 13 55.2 0.2 . . . . . . 127 SER CA . 6809 1 527 . 1 1 127 127 SER CB C 13 62.98 0.2 . . . . . . 127 SER CB . 6809 1 528 . 1 1 127 127 SER N N 15 116.401 0.2 . . . . . . 127 SER N . 6809 1 529 . 1 1 128 128 PRO C C 13 177 0.2 . . . . . . 128 PRO C . 6809 1 530 . 1 1 128 128 PRO CA C 13 62.82 0.2 . . . . . . 128 PRO CA . 6809 1 531 . 1 1 128 128 PRO CB C 13 31.51 0.2 . . . . . . 128 PRO CB . 6809 1 532 . 1 1 129 129 ALA H H 1 8.479 0.05 . . . . . . 129 ALA H . 6809 1 533 . 1 1 129 129 ALA C C 13 176 0.2 . . . . . . 129 ALA C . 6809 1 534 . 1 1 129 129 ALA CA C 13 50.31 0.2 . . . . . . 129 ALA CA . 6809 1 535 . 1 1 129 129 ALA CB C 13 17.99 0.2 . . . . . . 129 ALA CB . 6809 1 536 . 1 1 129 129 ALA N N 15 125.335 0.2 . . . . . . 129 ALA N . 6809 1 537 . 1 1 130 130 ILE H H 1 8.52 0.05 . . . . . . 130 ILE H . 6809 1 538 . 1 1 130 130 ILE C C 13 175.6 0.2 . . . . . . 130 ILE C . 6809 1 539 . 1 1 130 130 ILE CA C 13 59.21 0.2 . . . . . . 130 ILE CA . 6809 1 540 . 1 1 130 130 ILE CB C 13 39.22 0.2 . . . . . . 130 ILE CB . 6809 1 541 . 1 1 130 130 ILE N N 15 115.415 0.2 . . . . . . 130 ILE N . 6809 1 542 . 1 1 131 131 THR H H 1 8.646 0.05 . . . . . . 131 THR H . 6809 1 543 . 1 1 131 131 THR C C 13 176.3 0.2 . . . . . . 131 THR C . 6809 1 544 . 1 1 131 131 THR CA C 13 61.56 0.2 . . . . . . 131 THR CA . 6809 1 545 . 1 1 131 131 THR CB C 13 70.65 0.2 . . . . . . 131 THR CB . 6809 1 546 . 1 1 131 131 THR N N 15 110.526 0.2 . . . . . . 131 THR N . 6809 1 547 . 1 1 132 132 HIS H H 1 8.727 0.05 . . . . . . 132 HIS H . 6809 1 548 . 1 1 132 132 HIS CA C 13 60.88 0.2 . . . . . . 132 HIS CA . 6809 1 549 . 1 1 132 132 HIS CB C 13 29.28 0.2 . . . . . . 132 HIS CB . 6809 1 550 . 1 1 132 132 HIS N N 15 120.001 0.2 . . . . . . 132 HIS N . 6809 1 551 . 1 1 133 133 GLU H H 1 8.979 0.05 . . . . . . 133 GLU H . 6809 1 552 . 1 1 133 133 GLU C C 13 179.5 0.2 . . . . . . 133 GLU C . 6809 1 553 . 1 1 133 133 GLU CA C 13 60.03 0.2 . . . . . . 133 GLU CA . 6809 1 554 . 1 1 133 133 GLU CB C 13 28.15 0.2 . . . . . . 133 GLU CB . 6809 1 555 . 1 1 133 133 GLU N N 15 116.07 0.2 . . . . . . 133 GLU N . 6809 1 556 . 1 1 134 134 GLU H H 1 7.73 0.05 . . . . . . 134 GLU H . 6809 1 557 . 1 1 134 134 GLU C C 13 178.1 0.2 . . . . . . 134 GLU C . 6809 1 558 . 1 1 134 134 GLU CA C 13 58.55 0.2 . . . . . . 134 GLU CA . 6809 1 559 . 1 1 134 134 GLU CB C 13 29.07 0.2 . . . . . . 134 GLU CB . 6809 1 560 . 1 1 134 134 GLU N N 15 120.095 0.2 . . . . . . 134 GLU N . 6809 1 561 . 1 1 135 135 ALA H H 1 8.782 0.05 . . . . . . 135 ALA H . 6809 1 562 . 1 1 135 135 ALA C C 13 179.2 0.2 . . . . . . 135 ALA C . 6809 1 563 . 1 1 135 135 ALA CA C 13 55.28 0.2 . . . . . . 135 ALA CA . 6809 1 564 . 1 1 135 135 ALA CB C 13 17.97 0.2 . . . . . . 135 ALA CB . 6809 1 565 . 1 1 135 135 ALA N N 15 124.798 0.2 . . . . . . 135 ALA N . 6809 1 566 . 1 1 136 136 LEU H H 1 7.99 0.05 . . . . . . 136 LEU H . 6809 1 567 . 1 1 136 136 LEU C C 13 179.2 0.2 . . . . . . 136 LEU C . 6809 1 568 . 1 1 136 136 LEU CA C 13 56.92 0.2 . . . . . . 136 LEU CA . 6809 1 569 . 1 1 136 136 LEU CB C 13 40.93 0.2 . . . . . . 136 LEU CB . 6809 1 570 . 1 1 136 136 LEU N N 15 116.978 0.2 . . . . . . 136 LEU N . 6809 1 571 . 1 1 137 137 ALA H H 1 7.137 0.05 . . . . . . 137 ALA H . 6809 1 572 . 1 1 137 137 ALA C C 13 178 0.2 . . . . . . 137 ALA C . 6809 1 573 . 1 1 137 137 ALA CA C 13 53.97 0.2 . . . . . . 137 ALA CA . 6809 1 574 . 1 1 137 137 ALA CB C 13 17.05 0.2 . . . . . . 137 ALA CB . 6809 1 575 . 1 1 137 137 ALA N N 15 119.144 0.2 . . . . . . 137 ALA N . 6809 1 576 . 1 1 138 138 MET H H 1 7.869 0.05 . . . . . . 138 MET H . 6809 1 577 . 1 1 138 138 MET C C 13 175.9 0.2 . . . . . . 138 MET C . 6809 1 578 . 1 1 138 138 MET CA C 13 58.82 0.2 . . . . . . 138 MET CA . 6809 1 579 . 1 1 138 138 MET CB C 13 31.15 0.2 . . . . . . 138 MET CB . 6809 1 580 . 1 1 138 138 MET N N 15 118.918 0.2 . . . . . . 138 MET N . 6809 1 581 . 1 1 139 139 ILE H H 1 7.813 0.05 . . . . . . 139 ILE H . 6809 1 582 . 1 1 139 139 ILE C C 13 178.1 0.2 . . . . . . 139 ILE C . 6809 1 583 . 1 1 139 139 ILE CA C 13 65.09 0.2 . . . . . . 139 ILE CA . 6809 1 584 . 1 1 139 139 ILE CB C 13 36.35 0.2 . . . . . . 139 ILE CB . 6809 1 585 . 1 1 139 139 ILE N N 15 113.393 0.2 . . . . . . 139 ILE N . 6809 1 586 . 1 1 140 140 LYS H H 1 6.709 0.05 . . . . . . 140 LYS H . 6809 1 587 . 1 1 140 140 LYS C C 13 176.6 0.2 . . . . . . 140 LYS C . 6809 1 588 . 1 1 140 140 LYS CA C 13 55.8 0.2 . . . . . . 140 LYS CA . 6809 1 589 . 1 1 140 140 LYS CB C 13 31.47 0.2 . . . . . . 140 LYS CB . 6809 1 590 . 1 1 140 140 LYS N N 15 114.734 0.2 . . . . . . 140 LYS N . 6809 1 591 . 1 1 141 141 ASP H H 1 7.851 0.05 . . . . . . 141 ASP H . 6809 1 592 . 1 1 141 141 ASP C C 13 173.8 0.2 . . . . . . 141 ASP C . 6809 1 593 . 1 1 141 141 ASP CA C 13 54.97 0.2 . . . . . . 141 ASP CA . 6809 1 594 . 1 1 141 141 ASP CB C 13 41.88 0.2 . . . . . . 141 ASP CB . 6809 1 595 . 1 1 141 141 ASP N N 15 119.178 0.2 . . . . . . 141 ASP N . 6809 1 596 . 1 1 142 142 CYS H H 1 7.919 0.05 . . . . . . 142 CYS H . 6809 1 597 . 1 1 142 142 CYS C C 13 175.1 0.2 . . . . . . 142 CYS C . 6809 1 598 . 1 1 142 142 CYS CA C 13 55.96 0.2 . . . . . . 142 CYS CA . 6809 1 599 . 1 1 142 142 CYS CB C 13 37.2 0.2 . . . . . . 142 CYS CB . 6809 1 600 . 1 1 142 142 CYS N N 15 118.569 0.2 . . . . . . 142 CYS N . 6809 1 601 . 1 1 143 143 GLU H H 1 8.882 0.05 . . . . . . 143 GLU H . 6809 1 602 . 1 1 143 143 GLU C C 13 174.6 0.2 . . . . . . 143 GLU C . 6809 1 603 . 1 1 143 143 GLU CA C 13 54.06 0.2 . . . . . . 143 GLU CA . 6809 1 604 . 1 1 143 143 GLU CB C 13 33 0.2 . . . . . . 143 GLU CB . 6809 1 605 . 1 1 143 143 GLU N N 15 129.484 0.2 . . . . . . 143 GLU N . 6809 1 606 . 1 1 144 144 VAL H H 1 7.986 0.05 . . . . . . 144 VAL H . 6809 1 607 . 1 1 144 144 VAL C C 13 176.7 0.2 . . . . . . 144 VAL C . 6809 1 608 . 1 1 144 144 VAL CA C 13 59.12 0.2 . . . . . . 144 VAL CA . 6809 1 609 . 1 1 144 144 VAL CB C 13 34.27 0.2 . . . . . . 144 VAL CB . 6809 1 610 . 1 1 144 144 VAL N N 15 124.652 0.2 . . . . . . 144 VAL N . 6809 1 611 . 1 1 145 145 SER H H 1 9.249 0.05 . . . . . . 145 SER H . 6809 1 612 . 1 1 145 145 SER CA C 13 55.69 0.2 . . . . . . 145 SER CA . 6809 1 613 . 1 1 145 145 SER CB C 13 65.9 0.2 . . . . . . 145 SER CB . 6809 1 614 . 1 1 145 145 SER N N 15 122.614 0.2 . . . . . . 145 SER N . 6809 1 615 . 1 1 150 150 CYS H H 1 8.049 0.05 . . . . . . 150 CYS H . 6809 1 616 . 1 1 150 150 CYS CA C 13 54.54 0.2 . . . . . . 150 CYS CA . 6809 1 617 . 1 1 150 150 CYS CB C 13 40.15 0.2 . . . . . . 150 CYS CB . 6809 1 618 . 1 1 150 150 CYS N N 15 124.927 0.2 . . . . . . 150 CYS N . 6809 1 619 . 1 1 151 151 SER H H 1 8.017 0.05 . . . . . . 151 SER H . 6809 1 620 . 1 1 151 151 SER CA C 13 58.29 0.2 . . . . . . 151 SER CA . 6809 1 621 . 1 1 151 151 SER CB C 13 63.24 0.2 . . . . . . 151 SER CB . 6809 1 622 . 1 1 151 151 SER N N 15 114.755 0.2 . . . . . . 151 SER N . 6809 1 623 . 1 1 152 152 GLU C C 13 176.9 0.2 . . . . . . 152 GLU C . 6809 1 624 . 1 1 152 152 GLU CA C 13 54.87 0.2 . . . . . . 152 GLU CA . 6809 1 625 . 1 1 152 152 GLU CB C 13 28.32 0.2 . . . . . . 152 GLU CB . 6809 1 626 . 1 1 153 153 GLU H H 1 7.751 0.05 . . . . . . 153 GLU H . 6809 1 627 . 1 1 153 153 GLU C C 13 176.7 0.2 . . . . . . 153 GLU C . 6809 1 628 . 1 1 153 153 GLU CA C 13 56.93 0.2 . . . . . . 153 GLU CA . 6809 1 629 . 1 1 153 153 GLU CB C 13 29.45 0.2 . . . . . . 153 GLU CB . 6809 1 630 . 1 1 153 153 GLU N N 15 122.029 0.2 . . . . . . 153 GLU N . 6809 1 631 . 1 1 154 154 GLU H H 1 8.442 0.05 . . . . . . 154 GLU H . 6809 1 632 . 1 1 154 154 GLU C C 13 174.6 0.2 . . . . . . 154 GLU C . 6809 1 633 . 1 1 154 154 GLU CA C 13 55.38 0.2 . . . . . . 154 GLU CA . 6809 1 634 . 1 1 154 154 GLU CB C 13 30.21 0.2 . . . . . . 154 GLU CB . 6809 1 635 . 1 1 154 154 GLU N N 15 126.284 0.2 . . . . . . 154 GLU N . 6809 1 636 . 1 1 155 155 LYS H H 1 8.599 0.05 . . . . . . 155 LYS H . 6809 1 637 . 1 1 155 155 LYS C C 13 176.9 0.2 . . . . . . 155 LYS C . 6809 1 638 . 1 1 155 155 LYS CA C 13 56.33 0.2 . . . . . . 155 LYS CA . 6809 1 639 . 1 1 155 155 LYS CB C 13 30.6 0.2 . . . . . . 155 LYS CB . 6809 1 640 . 1 1 155 155 LYS N N 15 121.711 0.2 . . . . . . 155 LYS N . 6809 1 641 . 1 1 156 156 ASP H H 1 8.16 0.05 . . . . . . 156 ASP H . 6809 1 642 . 1 1 156 156 ASP C C 13 173.1 0.2 . . . . . . 156 ASP C . 6809 1 643 . 1 1 156 156 ASP CA C 13 54.49 0.2 . . . . . . 156 ASP CA . 6809 1 644 . 1 1 156 156 ASP CB C 13 40.64 0.2 . . . . . . 156 ASP CB . 6809 1 645 . 1 1 156 156 ASP N N 15 117.447 0.2 . . . . . . 156 ASP N . 6809 1 646 . 1 1 157 157 SER H H 1 8.478 0.05 . . . . . . 157 SER H . 6809 1 647 . 1 1 157 157 SER C C 13 174 0.2 . . . . . . 157 SER C . 6809 1 648 . 1 1 157 157 SER CA C 13 60.73 0.2 . . . . . . 157 SER CA . 6809 1 649 . 1 1 157 157 SER CB C 13 64.46 0.2 . . . . . . 157 SER CB . 6809 1 650 . 1 1 157 157 SER N N 15 114.896 0.2 . . . . . . 157 SER N . 6809 1 651 . 1 1 158 158 ASP H H 1 8.084 0.05 . . . . . . 158 ASP H . 6809 1 652 . 1 1 158 158 ASP C C 13 177.3 0.2 . . . . . . 158 ASP C . 6809 1 653 . 1 1 158 158 ASP CA C 13 52.37 0.2 . . . . . . 158 ASP CA . 6809 1 654 . 1 1 158 158 ASP CB C 13 39.69 0.2 . . . . . . 158 ASP CB . 6809 1 655 . 1 1 158 158 ASP N N 15 127.456 0.2 . . . . . . 158 ASP N . 6809 1 656 . 1 1 159 159 ILE H H 1 7.465 0.05 . . . . . . 159 ILE H . 6809 1 657 . 1 1 159 159 ILE CA C 13 60.17 0.2 . . . . . . 159 ILE CA . 6809 1 658 . 1 1 159 159 ILE CB C 13 38.88 0.2 . . . . . . 159 ILE CB . 6809 1 659 . 1 1 159 159 ILE N N 15 118.338 0.2 . . . . . . 159 ILE N . 6809 1 660 . 1 1 160 160 LYS H H 1 8.621 0.05 . . . . . . 160 LYS H . 6809 1 661 . 1 1 160 160 LYS C C 13 174.9 0.2 . . . . . . 160 LYS C . 6809 1 662 . 1 1 160 160 LYS CA C 13 52.69 0.2 . . . . . . 160 LYS CA . 6809 1 663 . 1 1 160 160 LYS CB C 13 30.59 0.2 . . . . . . 160 LYS CB . 6809 1 664 . 1 1 160 160 LYS N N 15 124.908 0.2 . . . . . . 160 LYS N . 6809 1 665 . 1 1 161 161 THR H H 1 8.378 0.05 . . . . . . 161 THR H . 6809 1 666 . 1 1 161 161 THR CA C 13 61.1 0.2 . . . . . . 161 THR CA . 6809 1 667 . 1 1 161 161 THR CB C 13 67.5 0.2 . . . . . . 161 THR CB . 6809 1 668 . 1 1 161 161 THR N N 15 111.995 0.2 . . . . . . 161 THR N . 6809 1 669 . 1 1 162 162 HIS H H 1 7.039 0.05 . . . . . . 162 HIS H . 6809 1 670 . 1 1 162 162 HIS CA C 13 52.43 0.2 . . . . . . 162 HIS CA . 6809 1 671 . 1 1 162 162 HIS CB C 13 28.03 0.2 . . . . . . 162 HIS CB . 6809 1 672 . 1 1 162 162 HIS N N 15 118.193 0.2 . . . . . . 162 HIS N . 6809 1 673 . 1 1 163 163 PRO C C 13 176.5 0.2 . . . . . . 163 PRO C . 6809 1 674 . 1 1 163 163 PRO CA C 13 62.09 0.2 . . . . . . 163 PRO CA . 6809 1 675 . 1 1 163 163 PRO CB C 13 31.24 0.2 . . . . . . 163 PRO CB . 6809 1 676 . 1 1 164 164 VAL H H 1 8.605 0.05 . . . . . . 164 VAL H . 6809 1 677 . 1 1 164 164 VAL C C 13 177.6 0.2 . . . . . . 164 VAL C . 6809 1 678 . 1 1 164 164 VAL CA C 13 62.97 0.2 . . . . . . 164 VAL CA . 6809 1 679 . 1 1 164 164 VAL CB C 13 30.45 0.2 . . . . . . 164 VAL CB . 6809 1 680 . 1 1 164 164 VAL N N 15 122.908 0.2 . . . . . . 164 VAL N . 6809 1 681 . 1 1 165 165 LEU H H 1 8.502 0.05 . . . . . . 165 LEU H . 6809 1 682 . 1 1 165 165 LEU C C 13 173.6 0.2 . . . . . . 165 LEU C . 6809 1 683 . 1 1 165 165 LEU CA C 13 54.05 0.2 . . . . . . 165 LEU CA . 6809 1 684 . 1 1 165 165 LEU CB C 13 41.76 0.2 . . . . . . 165 LEU CB . 6809 1 685 . 1 1 165 165 LEU N N 15 130.336 0.2 . . . . . . 165 LEU N . 6809 1 686 . 1 1 166 166 GLY H H 1 8.749 0.05 . . . . . . 166 GLY H . 6809 1 687 . 1 1 166 166 GLY C C 13 174.5 0.2 . . . . . . 166 GLY C . 6809 1 688 . 1 1 166 166 GLY CA C 13 43.93 0.2 . . . . . . 166 GLY CA . 6809 1 689 . 1 1 166 166 GLY N N 15 109.499 0.2 . . . . . . 166 GLY N . 6809 1 690 . 1 1 167 167 SER H H 1 8.563 0.05 . . . . . . 167 SER H . 6809 1 691 . 1 1 167 167 SER C C 13 174.5 0.2 . . . . . . 167 SER C . 6809 1 692 . 1 1 167 167 SER CA C 13 58.5 0.2 . . . . . . 167 SER CA . 6809 1 693 . 1 1 167 167 SER CB C 13 64.68 0.2 . . . . . . 167 SER CB . 6809 1 694 . 1 1 167 167 SER N N 15 114.73 0.2 . . . . . . 167 SER N . 6809 1 695 . 1 1 168 168 ASN H H 1 8.227 0.05 . . . . . . 168 ASN H . 6809 1 696 . 1 1 168 168 ASN C C 13 175.4 0.2 . . . . . . 168 ASN C . 6809 1 697 . 1 1 168 168 ASN CA C 13 54.65 0.2 . . . . . . 168 ASN CA . 6809 1 698 . 1 1 168 168 ASN CB C 13 38.19 0.2 . . . . . . 168 ASN CB . 6809 1 699 . 1 1 168 168 ASN N N 15 115.214 0.2 . . . . . . 168 ASN N . 6809 1 700 . 1 1 169 169 ILE H H 1 8.073 0.05 . . . . . . 169 ILE H . 6809 1 701 . 1 1 169 169 ILE C C 13 173.6 0.2 . . . . . . 169 ILE C . 6809 1 702 . 1 1 169 169 ILE CA C 13 60.76 0.2 . . . . . . 169 ILE CA . 6809 1 703 . 1 1 169 169 ILE CB C 13 37.56 0.2 . . . . . . 169 ILE CB . 6809 1 704 . 1 1 169 169 ILE N N 15 120.203 0.2 . . . . . . 169 ILE N . 6809 1 705 . 1 1 170 170 SER H H 1 8.705 0.05 . . . . . . 170 SER H . 6809 1 706 . 1 1 170 170 SER CA C 13 55.64 0.2 . . . . . . 170 SER CA . 6809 1 707 . 1 1 170 170 SER CB C 13 64.65 0.2 . . . . . . 170 SER CB . 6809 1 708 . 1 1 170 170 SER N N 15 120.618 0.2 . . . . . . 170 SER N . 6809 1 709 . 1 1 171 171 HIS C C 13 173.6 0.2 . . . . . . 171 HIS C . 6809 1 710 . 1 1 171 171 HIS CA C 13 57.78 0.2 . . . . . . 171 HIS CA . 6809 1 711 . 1 1 171 171 HIS CB C 13 28.16 0.2 . . . . . . 171 HIS CB . 6809 1 712 . 1 1 172 172 LYS H H 1 6.889 0.05 . . . . . . 172 LYS H . 6809 1 713 . 1 1 172 172 LYS C C 13 176 0.2 . . . . . . 172 LYS C . 6809 1 714 . 1 1 172 172 LYS CA C 13 55.1 0.2 . . . . . . 172 LYS CA . 6809 1 715 . 1 1 172 172 LYS CB C 13 31.49 0.2 . . . . . . 172 LYS CB . 6809 1 716 . 1 1 172 172 LYS N N 15 118.113 0.2 . . . . . . 172 LYS N . 6809 1 717 . 1 1 173 173 LYS H H 1 8.033 0.05 . . . . . . 173 LYS H . 6809 1 718 . 1 1 173 173 LYS C C 13 174.7 0.2 . . . . . . 173 LYS C . 6809 1 719 . 1 1 173 173 LYS CA C 13 58.22 0.2 . . . . . . 173 LYS CA . 6809 1 720 . 1 1 173 173 LYS CB C 13 31.06 0.2 . . . . . . 173 LYS CB . 6809 1 721 . 1 1 173 173 LYS N N 15 118.001 0.2 . . . . . . 173 LYS N . 6809 1 722 . 1 1 174 174 VAL H H 1 6.593 0.05 . . . . . . 174 VAL H . 6809 1 723 . 1 1 174 174 VAL C C 13 176 0.2 . . . . . . 174 VAL C . 6809 1 724 . 1 1 174 174 VAL CA C 13 59.56 0.2 . . . . . . 174 VAL CA . 6809 1 725 . 1 1 174 174 VAL CB C 13 31.96 0.2 . . . . . . 174 VAL CB . 6809 1 726 . 1 1 174 174 VAL N N 15 118.605 0.2 . . . . . . 174 VAL N . 6809 1 727 . 1 1 175 175 SER H H 1 7.59 0.05 . . . . . . 175 SER H . 6809 1 728 . 1 1 175 175 SER C C 13 175.7 0.2 . . . . . . 175 SER C . 6809 1 729 . 1 1 175 175 SER CA C 13 59.81 0.2 . . . . . . 175 SER CA . 6809 1 730 . 1 1 175 175 SER CB C 13 63.14 0.2 . . . . . . 175 SER CB . 6809 1 731 . 1 1 175 175 SER N N 15 115.789 0.2 . . . . . . 175 SER N . 6809 1 732 . 1 1 176 176 TYR H H 1 8.509 0.05 . . . . . . 176 TYR H . 6809 1 733 . 1 1 176 176 TYR C C 13 175.6 0.2 . . . . . . 176 TYR C . 6809 1 734 . 1 1 176 176 TYR CA C 13 58.94 0.2 . . . . . . 176 TYR CA . 6809 1 735 . 1 1 176 176 TYR CB C 13 38.82 0.2 . . . . . . 176 TYR CB . 6809 1 736 . 1 1 176 176 TYR N N 15 124.507 0.2 . . . . . . 176 TYR N . 6809 1 737 . 1 1 177 177 GLU H H 1 7.198 0.05 . . . . . . 177 GLU H . 6809 1 738 . 1 1 177 177 GLU C C 13 177.3 0.2 . . . . . . 177 GLU C . 6809 1 739 . 1 1 177 177 GLU CA C 13 53.94 0.2 . . . . . . 177 GLU CA . 6809 1 740 . 1 1 177 177 GLU CB C 13 32.64 0.2 . . . . . . 177 GLU CB . 6809 1 741 . 1 1 177 177 GLU N N 15 128.627 0.2 . . . . . . 177 GLU N . 6809 1 742 . 1 1 178 178 ASP H H 1 7.787 0.05 . . . . . . 178 ASP H . 6809 1 743 . 1 1 178 178 ASP CA C 13 53.25 0.2 . . . . . . 178 ASP CA . 6809 1 744 . 1 1 178 178 ASP CB C 13 40.27 0.2 . . . . . . 178 ASP CB . 6809 1 745 . 1 1 178 178 ASP N N 15 122.378 0.2 . . . . . . 178 ASP N . 6809 1 746 . 1 1 179 179 ILE C C 13 177.2 0.2 . . . . . . 179 ILE C . 6809 1 747 . 1 1 179 179 ILE CA C 13 61.88 0.2 . . . . . . 179 ILE CA . 6809 1 748 . 1 1 179 179 ILE CB C 13 41.34 0.2 . . . . . . 179 ILE CB . 6809 1 749 . 1 1 180 180 ILE H H 1 8.937 0.05 . . . . . . 180 ILE H . 6809 1 750 . 1 1 180 180 ILE CA C 13 61.44 0.2 . . . . . . 180 ILE CA . 6809 1 751 . 1 1 180 180 ILE CB C 13 37.97 0.2 . . . . . . 180 ILE CB . 6809 1 752 . 1 1 180 180 ILE N N 15 120.972 0.2 . . . . . . 180 ILE N . 6809 1 753 . 1 1 181 181 GLY H H 1 9.173 0.05 . . . . . . 181 GLY H . 6809 1 754 . 1 1 181 181 GLY CA C 13 44.23 0.2 . . . . . . 181 GLY CA . 6809 1 755 . 1 1 181 181 GLY N N 15 118.284 0.2 . . . . . . 181 GLY N . 6809 1 756 . 1 1 190 190 VAL C C 13 174.5 0.2 . . . . . . 190 VAL C . 6809 1 757 . 1 1 191 191 LYS H H 1 8.973 0.05 . . . . . . 191 LYS H . 6809 1 758 . 1 1 191 191 LYS C C 13 173.7 0.2 . . . . . . 191 LYS C . 6809 1 759 . 1 1 191 191 LYS N N 15 128.509 0.2 . . . . . . 191 LYS N . 6809 1 760 . 1 1 192 192 ASN H H 1 7.859 0.05 . . . . . . 192 ASN H . 6809 1 761 . 1 1 192 192 ASN CA C 13 50.75 0.2 . . . . . . 192 ASN CA . 6809 1 762 . 1 1 192 192 ASN CB C 13 42.14 0.2 . . . . . . 192 ASN CB . 6809 1 763 . 1 1 192 192 ASN N N 15 110.211 0.2 . . . . . . 192 ASN N . 6809 1 764 . 1 1 193 193 LEU H H 1 9.633 0.05 . . . . . . 193 LEU H . 6809 1 765 . 1 1 193 193 LEU C C 13 173.7 0.2 . . . . . . 193 LEU C . 6809 1 766 . 1 1 193 193 LEU CA C 13 55.05 0.2 . . . . . . 193 LEU CA . 6809 1 767 . 1 1 193 193 LEU CB C 13 45.47 0.2 . . . . . . 193 LEU CB . 6809 1 768 . 1 1 193 193 LEU N N 15 121.711 0.2 . . . . . . 193 LEU N . 6809 1 769 . 1 1 194 194 GLU H H 1 9.104 0.05 . . . . . . 194 GLU H . 6809 1 770 . 1 1 194 194 GLU CA C 13 55.77 0.2 . . . . . . 194 GLU CA . 6809 1 771 . 1 1 194 194 GLU CB C 13 34.17 0.2 . . . . . . 194 GLU CB . 6809 1 772 . 1 1 194 194 GLU N N 15 124.21 0.2 . . . . . . 194 GLU N . 6809 1 773 . 1 1 195 195 PHE H H 1 9.431 0.05 . . . . . . 195 PHE H . 6809 1 774 . 1 1 195 195 PHE C C 13 172.8 0.2 . . . . . . 195 PHE C . 6809 1 775 . 1 1 195 195 PHE CA C 13 55.35 0.2 . . . . . . 195 PHE CA . 6809 1 776 . 1 1 195 195 PHE CB C 13 43.08 0.2 . . . . . . 195 PHE CB . 6809 1 777 . 1 1 195 195 PHE N N 15 123.696 0.2 . . . . . . 195 PHE N . 6809 1 778 . 1 1 196 196 SER H H 1 8.892 0.05 . . . . . . 196 SER H . 6809 1 779 . 1 1 196 196 SER C C 13 172.8 0.2 . . . . . . 196 SER C . 6809 1 780 . 1 1 196 196 SER CA C 13 56.91 0.2 . . . . . . 196 SER CA . 6809 1 781 . 1 1 196 196 SER CB C 13 61.65 0.2 . . . . . . 196 SER CB . 6809 1 782 . 1 1 196 196 SER N N 15 122.66 0.2 . . . . . . 196 SER N . 6809 1 783 . 1 1 197 197 VAL H H 1 8.717 0.05 . . . . . . 197 VAL H . 6809 1 784 . 1 1 197 197 VAL C C 13 174.9 0.2 . . . . . . 197 VAL C . 6809 1 785 . 1 1 197 197 VAL CA C 13 59.75 0.2 . . . . . . 197 VAL CA . 6809 1 786 . 1 1 197 197 VAL CB C 13 33.91 0.2 . . . . . . 197 VAL CB . 6809 1 787 . 1 1 197 197 VAL N N 15 125.661 0.2 . . . . . . 197 VAL N . 6809 1 788 . 1 1 198 198 ARG H H 1 8.897 0.05 . . . . . . 198 ARG H . 6809 1 789 . 1 1 198 198 ARG C C 13 174.3 0.2 . . . . . . 198 ARG C . 6809 1 790 . 1 1 198 198 ARG CA C 13 52.42 0.2 . . . . . . 198 ARG CA . 6809 1 791 . 1 1 198 198 ARG CB C 13 34.36 0.2 . . . . . . 198 ARG CB . 6809 1 792 . 1 1 198 198 ARG N N 15 124.976 0.2 . . . . . . 198 ARG N . 6809 1 793 . 1 1 199 199 ILE H H 1 7.738 0.05 . . . . . . 199 ILE H . 6809 1 794 . 1 1 199 199 ILE C C 13 170.8 0.2 . . . . . . 199 ILE C . 6809 1 795 . 1 1 199 199 ILE CA C 13 59.76 0.2 . . . . . . 199 ILE CA . 6809 1 796 . 1 1 199 199 ILE CB C 13 39.25 0.2 . . . . . . 199 ILE CB . 6809 1 797 . 1 1 199 199 ILE N N 15 119.059 0.2 . . . . . . 199 ILE N . 6809 1 798 . 1 1 200 200 GLY H H 1 8.285 0.05 . . . . . . 200 GLY H . 6809 1 799 . 1 1 200 200 GLY C C 13 177.7 0.2 . . . . . . 200 GLY C . 6809 1 800 . 1 1 200 200 GLY CA C 13 45.55 0.2 . . . . . . 200 GLY CA . 6809 1 801 . 1 1 200 200 GLY N N 15 111.191 0.2 . . . . . . 200 GLY N . 6809 1 802 . 1 1 201 201 ASP H H 1 9.493 0.05 . . . . . . 201 ASP H . 6809 1 803 . 1 1 201 201 ASP C C 13 176.4 0.2 . . . . . . 201 ASP C . 6809 1 804 . 1 1 201 201 ASP CA C 13 53.78 0.2 . . . . . . 201 ASP CA . 6809 1 805 . 1 1 201 201 ASP CB C 13 42.38 0.2 . . . . . . 201 ASP CB . 6809 1 806 . 1 1 201 201 ASP N N 15 122.13 0.2 . . . . . . 201 ASP N . 6809 1 807 . 1 1 202 202 MET H H 1 8.732 0.05 . . . . . . 202 MET H . 6809 1 808 . 1 1 202 202 MET C C 13 174.5 0.2 . . . . . . 202 MET C . 6809 1 809 . 1 1 202 202 MET CA C 13 58.26 0.2 . . . . . . 202 MET CA . 6809 1 810 . 1 1 202 202 MET CB C 13 34.38 0.2 . . . . . . 202 MET CB . 6809 1 811 . 1 1 202 202 MET N N 15 123.499 0.2 . . . . . . 202 MET N . 6809 1 812 . 1 1 203 203 CYS H H 1 9.359 0.05 . . . . . . 203 CYS H . 6809 1 813 . 1 1 203 203 CYS C C 13 173.8 0.2 . . . . . . 203 CYS C . 6809 1 814 . 1 1 203 203 CYS CA C 13 57.17 0.2 . . . . . . 203 CYS CA . 6809 1 815 . 1 1 203 203 CYS CB C 13 43.28 0.2 . . . . . . 203 CYS CB . 6809 1 816 . 1 1 203 203 CYS N N 15 116.482 0.2 . . . . . . 203 CYS N . 6809 1 817 . 1 1 204 204 LYS H H 1 7.871 0.05 . . . . . . 204 LYS H . 6809 1 818 . 1 1 204 204 LYS C C 13 177.3 0.2 . . . . . . 204 LYS C . 6809 1 819 . 1 1 204 204 LYS CA C 13 55.55 0.2 . . . . . . 204 LYS CA . 6809 1 820 . 1 1 204 204 LYS CB C 13 32.79 0.2 . . . . . . 204 LYS CB . 6809 1 821 . 1 1 204 204 LYS N N 15 121.69 0.2 . . . . . . 204 LYS N . 6809 1 822 . 1 1 205 205 GLU H H 1 8.299 0.05 . . . . . . 205 GLU H . 6809 1 823 . 1 1 205 205 GLU C C 13 175.4 0.2 . . . . . . 205 GLU C . 6809 1 824 . 1 1 205 205 GLU CA C 13 57.21 0.2 . . . . . . 205 GLU CA . 6809 1 825 . 1 1 205 205 GLU CB C 13 29.21 0.2 . . . . . . 205 GLU CB . 6809 1 826 . 1 1 205 205 GLU N N 15 123.802 0.2 . . . . . . 205 GLU N . 6809 1 827 . 1 1 206 206 SER H H 1 8.96 0.05 . . . . . . 206 SER H . 6809 1 828 . 1 1 206 206 SER CA C 13 57.03 0.2 . . . . . . 206 SER CA . 6809 1 829 . 1 1 206 206 SER CB C 13 63.96 0.2 . . . . . . 206 SER CB . 6809 1 830 . 1 1 206 206 SER N N 15 121.059 0.2 . . . . . . 206 SER N . 6809 1 831 . 1 1 207 207 SER C C 13 175.9 0.2 . . . . . . 207 SER C . 6809 1 832 . 1 1 207 207 SER CA C 13 61.22 0.2 . . . . . . 207 SER CA . 6809 1 833 . 1 1 207 207 SER CB C 13 62.7 0.2 . . . . . . 207 SER CB . 6809 1 834 . 1 1 208 208 GLU H H 1 8.965 0.05 . . . . . . 208 GLU H . 6809 1 835 . 1 1 208 208 GLU C C 13 173.4 0.2 . . . . . . 208 GLU C . 6809 1 836 . 1 1 208 208 GLU CA C 13 57.71 0.2 . . . . . . 208 GLU CA . 6809 1 837 . 1 1 208 208 GLU CB C 13 28.79 0.2 . . . . . . 208 GLU CB . 6809 1 838 . 1 1 208 208 GLU N N 15 120.112 0.2 . . . . . . 208 GLU N . 6809 1 839 . 1 1 209 209 LEU H H 1 7.99 0.05 . . . . . . 209 LEU H . 6809 1 840 . 1 1 209 209 LEU C C 13 177 0.2 . . . . . . 209 LEU C . 6809 1 841 . 1 1 209 209 LEU CA C 13 53.25 0.2 . . . . . . 209 LEU CA . 6809 1 842 . 1 1 209 209 LEU CB C 13 41.55 0.2 . . . . . . 209 LEU CB . 6809 1 843 . 1 1 209 209 LEU N N 15 117.609 0.2 . . . . . . 209 LEU N . 6809 1 844 . 1 1 210 210 GLU H H 1 6.763 0.05 . . . . . . 210 GLU H . 6809 1 845 . 1 1 210 210 GLU C C 13 177.4 0.2 . . . . . . 210 GLU C . 6809 1 846 . 1 1 210 210 GLU CA C 13 53.7 0.2 . . . . . . 210 GLU CA . 6809 1 847 . 1 1 210 210 GLU CB C 13 28.41 0.2 . . . . . . 210 GLU CB . 6809 1 848 . 1 1 210 210 GLU N N 15 112.162 0.2 . . . . . . 210 GLU N . 6809 1 849 . 1 1 211 211 VAL H H 1 8.445 0.05 . . . . . . 211 VAL H . 6809 1 850 . 1 1 211 211 VAL C C 13 173.4 0.2 . . . . . . 211 VAL C . 6809 1 851 . 1 1 211 211 VAL CA C 13 58.62 0.2 . . . . . . 211 VAL CA . 6809 1 852 . 1 1 211 211 VAL CB C 13 36.42 0.2 . . . . . . 211 VAL CB . 6809 1 853 . 1 1 211 211 VAL N N 15 113.5 0.2 . . . . . . 211 VAL N . 6809 1 854 . 1 1 212 212 LYS H H 1 8.664 0.05 . . . . . . 212 LYS H . 6809 1 855 . 1 1 212 212 LYS C C 13 175.5 0.2 . . . . . . 212 LYS C . 6809 1 856 . 1 1 212 212 LYS CA C 13 54.58 0.2 . . . . . . 212 LYS CA . 6809 1 857 . 1 1 212 212 LYS CB C 13 37.29 0.2 . . . . . . 212 LYS CB . 6809 1 858 . 1 1 212 212 LYS N N 15 124.212 0.2 . . . . . . 212 LYS N . 6809 1 859 . 1 1 213 213 ASP H H 1 9.085 0.05 . . . . . . 213 ASP H . 6809 1 860 . 1 1 213 213 ASP C C 13 170.8 0.2 . . . . . . 213 ASP C . 6809 1 861 . 1 1 213 213 ASP CA C 13 51.53 0.2 . . . . . . 213 ASP CA . 6809 1 862 . 1 1 213 213 ASP CB C 13 44.93 0.2 . . . . . . 213 ASP CB . 6809 1 863 . 1 1 213 213 ASP N N 15 124.619 0.2 . . . . . . 213 ASP N . 6809 1 864 . 1 1 214 214 GLY H H 1 9.839 0.05 . . . . . . 214 GLY H . 6809 1 865 . 1 1 214 214 GLY C C 13 173.4 0.2 . . . . . . 214 GLY C . 6809 1 866 . 1 1 214 214 GLY CA C 13 45.89 0.2 . . . . . . 214 GLY CA . 6809 1 867 . 1 1 214 214 GLY N N 15 111.77 0.2 . . . . . . 214 GLY N . 6809 1 868 . 1 1 215 215 PHE H H 1 8.648 0.05 . . . . . . 215 PHE H . 6809 1 869 . 1 1 215 215 PHE CA C 13 56.43 0.2 . . . . . . 215 PHE CA . 6809 1 870 . 1 1 215 215 PHE CB C 13 43.15 0.2 . . . . . . 215 PHE CB . 6809 1 871 . 1 1 215 215 PHE N N 15 119.97 0.2 . . . . . . 215 PHE N . 6809 1 872 . 1 1 216 216 LYS H H 1 8.428 0.05 . . . . . . 216 LYS H . 6809 1 873 . 1 1 216 216 LYS C C 13 174.4 0.2 . . . . . . 216 LYS C . 6809 1 874 . 1 1 216 216 LYS CA C 13 54.83 0.2 . . . . . . 216 LYS CA . 6809 1 875 . 1 1 216 216 LYS CB C 13 34.7 0.2 . . . . . . 216 LYS CB . 6809 1 876 . 1 1 216 216 LYS N N 15 124.924 0.2 . . . . . . 216 LYS N . 6809 1 877 . 1 1 217 217 TYR H H 1 9.327 0.05 . . . . . . 217 TYR H . 6809 1 878 . 1 1 217 217 TYR N N 15 126.306 0.2 . . . . . . 217 TYR N . 6809 1 879 . 1 1 221 221 SER CA C 13 57.19 0.2 . . . . . . 221 SER CA . 6809 1 880 . 1 1 221 221 SER CB C 13 63.34 0.2 . . . . . . 221 SER CB . 6809 1 881 . 1 1 222 222 ALA H H 1 8.152 0.05 . . . . . . 222 ALA H . 6809 1 882 . 1 1 222 222 ALA C C 13 173.2 0.2 . . . . . . 222 ALA C . 6809 1 883 . 1 1 222 222 ALA CA C 13 52.46 0.2 . . . . . . 222 ALA CA . 6809 1 884 . 1 1 222 222 ALA CB C 13 18.58 0.2 . . . . . . 222 ALA CB . 6809 1 885 . 1 1 222 222 ALA N N 15 123.712 0.2 . . . . . . 222 ALA N . 6809 1 886 . 1 1 223 223 SER H H 1 8.541 0.05 . . . . . . 223 SER H . 6809 1 887 . 1 1 223 223 SER C C 13 177 0.2 . . . . . . 223 SER C . 6809 1 888 . 1 1 223 223 SER CA C 13 57.7 0.2 . . . . . . 223 SER CA . 6809 1 889 . 1 1 223 223 SER CB C 13 65.13 0.2 . . . . . . 223 SER CB . 6809 1 890 . 1 1 223 223 SER N N 15 114.777 0.2 . . . . . . 223 SER N . 6809 1 891 . 1 1 224 224 LYS H H 1 8.555 0.05 . . . . . . 224 LYS H . 6809 1 892 . 1 1 224 224 LYS C C 13 172.2 0.2 . . . . . . 224 LYS C . 6809 1 893 . 1 1 224 224 LYS CA C 13 55.82 0.2 . . . . . . 224 LYS CA . 6809 1 894 . 1 1 224 224 LYS CB C 13 33.91 0.2 . . . . . . 224 LYS CB . 6809 1 895 . 1 1 224 224 LYS N N 15 121.24 0.2 . . . . . . 224 LYS N . 6809 1 896 . 1 1 225 225 GLY H H 1 7.929 0.05 . . . . . . 225 GLY H . 6809 1 897 . 1 1 225 225 GLY C C 13 175.7 0.2 . . . . . . 225 GLY C . 6809 1 898 . 1 1 225 225 GLY CA C 13 44.88 0.2 . . . . . . 225 GLY CA . 6809 1 899 . 1 1 225 225 GLY N N 15 105.921 0.2 . . . . . . 225 GLY N . 6809 1 900 . 1 1 226 226 ALA H H 1 8.545 0.05 . . . . . . 226 ALA H . 6809 1 901 . 1 1 226 226 ALA C C 13 172.8 0.2 . . . . . . 226 ALA C . 6809 1 902 . 1 1 226 226 ALA CA C 13 50.94 0.2 . . . . . . 226 ALA CA . 6809 1 903 . 1 1 226 226 ALA CB C 13 18.15 0.2 . . . . . . 226 ALA CB . 6809 1 904 . 1 1 226 226 ALA N N 15 124.859 0.2 . . . . . . 226 ALA N . 6809 1 905 . 1 1 227 227 THR H H 1 8.427 0.05 . . . . . . 227 THR H . 6809 1 906 . 1 1 227 227 THR CA C 13 59.35 0.2 . . . . . . 227 THR CA . 6809 1 907 . 1 1 227 227 THR CB C 13 70.44 0.2 . . . . . . 227 THR CB . 6809 1 908 . 1 1 227 227 THR N N 15 115.376 0.2 . . . . . . 227 THR N . 6809 1 909 . 1 1 228 228 ASP H H 1 8.446 0.05 . . . . . . 228 ASP H . 6809 1 910 . 1 1 228 228 ASP C C 13 176.8 0.2 . . . . . . 228 ASP C . 6809 1 911 . 1 1 228 228 ASP CA C 13 53.8 0.2 . . . . . . 228 ASP CA . 6809 1 912 . 1 1 228 228 ASP CB C 13 40.8 0.2 . . . . . . 228 ASP CB . 6809 1 913 . 1 1 228 228 ASP N N 15 119.104 0.2 . . . . . . 228 ASP N . 6809 1 914 . 1 1 229 229 ASP H H 1 8.446 0.05 . . . . . . 229 ASP H . 6809 1 915 . 1 1 229 229 ASP C C 13 174.4 0.2 . . . . . . 229 ASP C . 6809 1 916 . 1 1 229 229 ASP CA C 13 53.98 0.2 . . . . . . 229 ASP CA . 6809 1 917 . 1 1 229 229 ASP CB C 13 42.46 0.2 . . . . . . 229 ASP CB . 6809 1 918 . 1 1 229 229 ASP N N 15 126.778 0.2 . . . . . . 229 ASP N . 6809 1 919 . 1 1 230 230 THR H H 1 8.427 0.05 . . . . . . 230 THR H . 6809 1 920 . 1 1 230 230 THR CA C 13 65.77 0.2 . . . . . . 230 THR CA . 6809 1 921 . 1 1 230 230 THR CB C 13 68.79 0.2 . . . . . . 230 THR CB . 6809 1 922 . 1 1 230 230 THR N N 15 114.088 0.2 . . . . . . 230 THR N . 6809 1 923 . 1 1 231 231 SER C C 13 177.2 0.2 . . . . . . 231 SER C . 6809 1 924 . 1 1 231 231 SER CA C 13 56.8 0.2 . . . . . . 231 SER CA . 6809 1 925 . 1 1 231 231 SER CB C 13 62.72 0.2 . . . . . . 231 SER CB . 6809 1 926 . 1 1 232 232 LEU H H 1 7.16 0.05 . . . . . . 232 LEU H . 6809 1 927 . 1 1 232 232 LEU CA C 13 58.18 0.2 . . . . . . 232 LEU CA . 6809 1 928 . 1 1 232 232 LEU CB C 13 41.68 0.2 . . . . . . 232 LEU CB . 6809 1 929 . 1 1 232 232 LEU N N 15 123.454 0.2 . . . . . . 232 LEU N . 6809 1 930 . 1 1 233 233 ILE H H 1 7.673 0.05 . . . . . . 233 ILE H . 6809 1 931 . 1 1 233 233 ILE CA C 13 57.88 0.2 . . . . . . 233 ILE CA . 6809 1 932 . 1 1 233 233 ILE CB C 13 40.96 0.2 . . . . . . 233 ILE CB . 6809 1 933 . 1 1 233 233 ILE N N 15 106.389 0.2 . . . . . . 233 ILE N . 6809 1 934 . 1 1 234 234 ASP H H 1 8.218 0.05 . . . . . . 234 ASP H . 6809 1 935 . 1 1 234 234 ASP CA C 13 51.6 0.2 . . . . . . 234 ASP CA . 6809 1 936 . 1 1 234 234 ASP CB C 13 39.01 0.2 . . . . . . 234 ASP CB . 6809 1 937 . 1 1 234 234 ASP N N 15 120.061 0.2 . . . . . . 234 ASP N . 6809 1 938 . 1 1 235 235 SER C C 13 176.1 0.2 . . . . . . 235 SER C . 6809 1 939 . 1 1 235 235 SER CA C 13 61.26 0.2 . . . . . . 235 SER CA . 6809 1 940 . 1 1 235 235 SER CB C 13 62.05 0.2 . . . . . . 235 SER CB . 6809 1 941 . 1 1 236 236 THR H H 1 8.349 0.05 . . . . . . 236 THR H . 6809 1 942 . 1 1 236 236 THR C C 13 176.6 0.2 . . . . . . 236 THR C . 6809 1 943 . 1 1 236 236 THR CA C 13 63.95 0.2 . . . . . . 236 THR CA . 6809 1 944 . 1 1 236 236 THR CB C 13 68.18 0.2 . . . . . . 236 THR CB . 6809 1 945 . 1 1 236 236 THR N N 15 112.692 0.2 . . . . . . 236 THR N . 6809 1 946 . 1 1 237 237 LYS H H 1 6.907 0.05 . . . . . . 237 LYS H . 6809 1 947 . 1 1 237 237 LYS C C 13 176.4 0.2 . . . . . . 237 LYS C . 6809 1 948 . 1 1 237 237 LYS CA C 13 54.81 0.2 . . . . . . 237 LYS CA . 6809 1 949 . 1 1 237 237 LYS CB C 13 32.05 0.2 . . . . . . 237 LYS CB . 6809 1 950 . 1 1 237 237 LYS N N 15 117.724 0.2 . . . . . . 237 LYS N . 6809 1 951 . 1 1 238 238 LEU H H 1 6.77 0.05 . . . . . . 238 LEU H . 6809 1 952 . 1 1 238 238 LEU C C 13 175.1 0.2 . . . . . . 238 LEU C . 6809 1 953 . 1 1 238 238 LEU CA C 13 55.46 0.2 . . . . . . 238 LEU CA . 6809 1 954 . 1 1 238 238 LEU CB C 13 41.39 0.2 . . . . . . 238 LEU CB . 6809 1 955 . 1 1 238 238 LEU N N 15 116.92 0.2 . . . . . . 238 LEU N . 6809 1 956 . 1 1 239 239 LYS H H 1 8.637 0.05 . . . . . . 239 LYS H . 6809 1 957 . 1 1 239 239 LYS C C 13 176.8 0.2 . . . . . . 239 LYS C . 6809 1 958 . 1 1 239 239 LYS CA C 13 53.37 0.2 . . . . . . 239 LYS CA . 6809 1 959 . 1 1 239 239 LYS CB C 13 33.66 0.2 . . . . . . 239 LYS CB . 6809 1 960 . 1 1 239 239 LYS N N 15 119.987 0.2 . . . . . . 239 LYS N . 6809 1 961 . 1 1 240 240 ALA H H 1 8.655 0.05 . . . . . . 240 ALA H . 6809 1 962 . 1 1 240 240 ALA C C 13 175.3 0.2 . . . . . . 240 ALA C . 6809 1 963 . 1 1 240 240 ALA CA C 13 52.92 0.2 . . . . . . 240 ALA CA . 6809 1 964 . 1 1 240 240 ALA CB C 13 18.15 0.2 . . . . . . 240 ALA CB . 6809 1 965 . 1 1 240 240 ALA N N 15 123.45 0.2 . . . . . . 240 ALA N . 6809 1 966 . 1 1 241 241 CYS H H 1 9.184 0.05 . . . . . . 241 CYS H . 6809 1 967 . 1 1 241 241 CYS CA C 13 52.32 0.2 . . . . . . 241 CYS CA . 6809 1 968 . 1 1 241 241 CYS CB C 13 35.19 0.2 . . . . . . 241 CYS CB . 6809 1 969 . 1 1 241 241 CYS N N 15 116.929 0.2 . . . . . . 241 CYS N . 6809 1 970 . 1 1 242 242 VAL H H 1 7.625 0.05 . . . . . . 242 VAL H . 6809 1 971 . 1 1 242 242 VAL CA C 13 62.23 0.2 . . . . . . 242 VAL CA . 6809 1 972 . 1 1 242 242 VAL CB C 13 33.89 0.2 . . . . . . 242 VAL CB . 6809 1 973 . 1 1 242 242 VAL N N 15 118.701 0.2 . . . . . . 242 VAL N . 6809 1 stop_ save_