data_16322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16322 _Entry.Title ; Extracellular CD147 (EMMPRIN): Isoforms -2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-05-28 _Entry.Accession_date 2009-05-28 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Backbone assignments for the extracellular domains of CD147 isoforms -2 and -3. Residues 207-214 exist in both cis and trans conformations and the chemical shift assignments are provided here for each isomer for isoform-2.' _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 Jennifer Schelgel . . . 16322 2 Jasmina Redzic . S. . 16322 3 Christopher Porter . . . 16322 4 Vyacheslav Yurchenko . . . 16322 5 Michael Bukrinsky . . . 16322 6 Geoffrey Armstrong . S. . 16322 7 Fengli Zhang . . . 16322 8 Nancy Isern . G. . 16322 9 James Degregori . . . 16322 10 Robert Hodges . . . 16322 11 Elan Eisenmesser . Z. . 16322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 356 16322 '15N chemical shifts' 182 16322 '1H chemical shifts' 182 16322 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 . . 2010-01-21 2009-05-28 update BMRB 'complete entry citation' 16322 1 . . 2009-06-23 2009-05-28 original author 'original release' 16322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 7433 'Extracellular CD147 Isoform-3' 16322 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16322 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19500591 _Citation.Full_citation . _Citation.Title 'Solution characterization of the extracellular region of CD147 and its interaction with its enzyme ligand cyclophilin A.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 391 _Citation.Journal_issue 3 _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 518 _Citation.Page_last 535 _Citation.Year 2009 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Jennifer Schlegel . . . 16322 1 2 Jasmina Redzic . S. . 16322 1 3 Christopher Porter . C. . 16322 1 4 Vyacheslav Yurchenko . . . 16322 1 5 Michael Bukrinsky . . . 16322 1 6 Wladimir Labeikovsky . . . 16322 1 7 Geoffrey Armstrong . S. . 16322 1 8 Fengli Zhang . . . 16322 1 9 Nancy Isern . G. . 16322 1 10 James DeGregori . . . 16322 1 11 Robert Hodges . . . 16322 1 12 'Elan Zohar' Eisenmesser . . . 16322 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CD147 16322 1 cyclophilin 16322 1 EMMPRIN 16322 1 isomerization 16322 1 proline 16322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16322 _Assembly.ID 1 _Assembly.Name CD147 _Assembly.BMRB_code . _Assembly.Number_of_components 2 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Extracellular CD147 Iso-2, trans' 1 $CD147_22-214 A . yes native yes no . . . 16322 1 2 'Extracellular CD147 Iso-2, cis' 1 $CD147_22-214 B . yes native yes no . . . 16322 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 single . 1 . 1 CYS 110 110 SG . 1 . 1 CYS 169 169 SG . . . . . . . . . . 16322 1 2 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 71 71 SG . . . . . . . . . . 16322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CD147_22-214 _Entity.Sf_category entity _Entity.Sf_framecode CD147_22-214 _Entity.Entry_ID 16322 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CD147_22-214 _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 ; GSHMMAAGTVFTTVEDLGSK ILLTCSLNDSATEVTGHRWL KGGVVLKEDALPGQKTEFKV DSDDQWGEYSCVFLPEPMGT ANIQLHGPPRVKAVKSSEHI NEGETAMLVCKSESVPPVTD WAWYKITDSEDKALMNGSES RFFVSSSQGRSELHIENLNM EADPGQYRCNGTSSKGSDQA IITLRVRSHLAALWPFLG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'residues 207-214 exist in both cis and trans conformations' _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 198 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 3B5H . "Crystal Structure Of The Extracellular Portion Of Hab18gCD147" . . . . . 92.93 184 100.00 100.00 6.73e-133 . . . . 16322 1 2 no PDB 4U0Q . "Plasmodium Falciparum Reticulocyte-binding Protein Homologue 5 (pfrh5) Bound To Basigin" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 3 no DBJ BAA08109 . "basigin [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 4 no DBJ BAB88938 . "EMMPRIN [Homo sapiens]" . . . . . 97.47 269 98.96 98.96 4.31e-137 . . . . 16322 1 5 no DBJ BAC67167 . "EMMPRIN [Bos taurus]" . . . . . 92.93 205 100.00 100.00 5.86e-133 . . . . 16322 1 6 no DBJ BAC67168 . "cervical EMMPRIN [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 7 no DBJ BAC76828 . "CD147 [Homo sapiens]" . . . . . 97.47 269 99.48 99.48 4.29e-139 . . . . 16322 1 8 no EMBL CAA45716 . "M6 antigen [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 9 no EMBL CAH92402 . "hypothetical protein [Pongo abelii]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 10 no GB AAA68936 . "collagenase stimulatory factor [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 11 no GB AAA91084 . "amino acid feature: intracellular domain, aa 707 .. 829; amino acid feature: transmembrane domain, aa 638 .. 706; amino acid fe" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 12 no GB AAB41120 . "extracellular matrix metalloproteinase inducer [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 13 no GB AAC33279 . "basigin [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 14 no GB AAD10704 . "EMMPRIN [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 15 no REF NP_001128860 . "basigin (Ok blood group) precursor [Pongo abelii]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 16 no REF NP_001719 . "basigin isoform 1 precursor [Homo sapiens]" . . . . . 98.48 385 97.95 98.97 4.19e-136 . . . . 16322 1 17 no REF NP_940991 . "basigin isoform 2 [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 18 no REF NP_940992 . "basigin isoform 3 [Homo sapiens]" . . . . . 61.11 176 100.00 100.00 6.61e-83 . . . . 16322 1 19 no REF XP_005259676 . "PREDICTED: basigin isoform X1 [Homo sapiens]" . . . . . 97.47 269 100.00 100.00 7.00e-140 . . . . 16322 1 20 no SP P35613 . "RecName: Full=Basigin; AltName: Full=5F7; AltName: Full=Collagenase stimulatory factor; AltName: Full=Extracellular matrix meta" . . . . . 98.48 385 97.95 98.97 4.19e-136 . . . . 16322 1 21 no SP Q865R3 . "RecName: Full=Basigin; AltName: Full=EMMPRIN; AltName: CD_antigen=CD147; Flags: Precursor" . . . . . 92.93 205 100.00 100.00 5.86e-133 . . . . 16322 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Inducer of matrix metalloproteinases' 16322 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 17 GLY . 16322 1 2 18 SER . 16322 1 3 19 HIS . 16322 1 4 20 MET . 16322 1 5 21 MET . 16322 1 6 22 ALA . 16322 1 7 23 ALA . 16322 1 8 24 GLY . 16322 1 9 25 THR . 16322 1 10 26 VAL . 16322 1 11 27 PHE . 16322 1 12 28 THR . 16322 1 13 29 THR . 16322 1 14 30 VAL . 16322 1 15 31 GLU . 16322 1 16 32 ASP . 16322 1 17 33 LEU . 16322 1 18 34 GLY . 16322 1 19 35 SER . 16322 1 20 36 LYS . 16322 1 21 37 ILE . 16322 1 22 38 LEU . 16322 1 23 39 LEU . 16322 1 24 40 THR . 16322 1 25 41 CYS . 16322 1 26 42 SER . 16322 1 27 43 LEU . 16322 1 28 44 ASN . 16322 1 29 45 ASP . 16322 1 30 46 SER . 16322 1 31 47 ALA . 16322 1 32 48 THR . 16322 1 33 49 GLU . 16322 1 34 50 VAL . 16322 1 35 51 THR . 16322 1 36 52 GLY . 16322 1 37 53 HIS . 16322 1 38 54 ARG . 16322 1 39 55 TRP . 16322 1 40 56 LEU . 16322 1 41 57 LYS . 16322 1 42 58 GLY . 16322 1 43 59 GLY . 16322 1 44 60 VAL . 16322 1 45 61 VAL . 16322 1 46 62 LEU . 16322 1 47 63 LYS . 16322 1 48 64 GLU . 16322 1 49 65 ASP . 16322 1 50 66 ALA . 16322 1 51 67 LEU . 16322 1 52 68 PRO . 16322 1 53 69 GLY . 16322 1 54 70 GLN . 16322 1 55 71 LYS . 16322 1 56 72 THR . 16322 1 57 73 GLU . 16322 1 58 74 PHE . 16322 1 59 75 LYS . 16322 1 60 76 VAL . 16322 1 61 77 ASP . 16322 1 62 78 SER . 16322 1 63 79 ASP . 16322 1 64 80 ASP . 16322 1 65 81 GLN . 16322 1 66 82 TRP . 16322 1 67 83 GLY . 16322 1 68 84 GLU . 16322 1 69 85 TYR . 16322 1 70 86 SER . 16322 1 71 87 CYS . 16322 1 72 88 VAL . 16322 1 73 89 PHE . 16322 1 74 90 LEU . 16322 1 75 91 PRO . 16322 1 76 92 GLU . 16322 1 77 93 PRO . 16322 1 78 94 MET . 16322 1 79 95 GLY . 16322 1 80 96 THR . 16322 1 81 97 ALA . 16322 1 82 98 ASN . 16322 1 83 99 ILE . 16322 1 84 100 GLN . 16322 1 85 101 LEU . 16322 1 86 102 HIS . 16322 1 87 103 GLY . 16322 1 88 104 PRO . 16322 1 89 105 PRO . 16322 1 90 106 ARG . 16322 1 91 107 VAL . 16322 1 92 108 LYS . 16322 1 93 109 ALA . 16322 1 94 110 VAL . 16322 1 95 111 LYS . 16322 1 96 112 SER . 16322 1 97 113 SER . 16322 1 98 114 GLU . 16322 1 99 115 HIS . 16322 1 100 116 ILE . 16322 1 101 117 ASN . 16322 1 102 118 GLU . 16322 1 103 119 GLY . 16322 1 104 120 GLU . 16322 1 105 121 THR . 16322 1 106 122 ALA . 16322 1 107 123 MET . 16322 1 108 124 LEU . 16322 1 109 125 VAL . 16322 1 110 126 CYS . 16322 1 111 127 LYS . 16322 1 112 128 SER . 16322 1 113 129 GLU . 16322 1 114 130 SER . 16322 1 115 131 VAL . 16322 1 116 132 PRO . 16322 1 117 133 PRO . 16322 1 118 134 VAL . 16322 1 119 135 THR . 16322 1 120 136 ASP . 16322 1 121 137 TRP . 16322 1 122 138 ALA . 16322 1 123 139 TRP . 16322 1 124 140 TYR . 16322 1 125 141 LYS . 16322 1 126 142 ILE . 16322 1 127 143 THR . 16322 1 128 144 ASP . 16322 1 129 145 SER . 16322 1 130 146 GLU . 16322 1 131 147 ASP . 16322 1 132 148 LYS . 16322 1 133 149 ALA . 16322 1 134 150 LEU . 16322 1 135 151 MET . 16322 1 136 152 ASN . 16322 1 137 153 GLY . 16322 1 138 154 SER . 16322 1 139 155 GLU . 16322 1 140 156 SER . 16322 1 141 157 ARG . 16322 1 142 158 PHE . 16322 1 143 159 PHE . 16322 1 144 160 VAL . 16322 1 145 161 SER . 16322 1 146 162 SER . 16322 1 147 163 SER . 16322 1 148 164 GLN . 16322 1 149 165 GLY . 16322 1 150 166 ARG . 16322 1 151 167 SER . 16322 1 152 168 GLU . 16322 1 153 169 LEU . 16322 1 154 170 HIS . 16322 1 155 171 ILE . 16322 1 156 172 GLU . 16322 1 157 173 ASN . 16322 1 158 174 LEU . 16322 1 159 175 ASN . 16322 1 160 176 MET . 16322 1 161 177 GLU . 16322 1 162 178 ALA . 16322 1 163 179 ASP . 16322 1 164 180 PRO . 16322 1 165 181 GLY . 16322 1 166 182 GLN . 16322 1 167 183 TYR . 16322 1 168 184 ARG . 16322 1 169 185 CYS . 16322 1 170 186 ASN . 16322 1 171 187 GLY . 16322 1 172 188 THR . 16322 1 173 189 SER . 16322 1 174 190 SER . 16322 1 175 191 LYS . 16322 1 176 192 GLY . 16322 1 177 193 SER . 16322 1 178 194 ASP . 16322 1 179 195 GLN . 16322 1 180 196 ALA . 16322 1 181 197 ILE . 16322 1 182 198 ILE . 16322 1 183 199 THR . 16322 1 184 200 LEU . 16322 1 185 201 ARG . 16322 1 186 202 VAL . 16322 1 187 203 ARG . 16322 1 188 204 SER . 16322 1 189 205 HIS . 16322 1 190 206 LEU . 16322 1 191 207 ALA . 16322 1 192 208 ALA . 16322 1 193 209 LEU . 16322 1 194 210 TRP . 16322 1 195 211 PRO . 16322 1 196 212 PHE . 16322 1 197 213 LEU . 16322 1 198 214 GLY . 16322 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 . GLY 1 1 16322 1 . SER 2 2 16322 1 . HIS 3 3 16322 1 . MET 4 4 16322 1 . MET 5 5 16322 1 . ALA 6 6 16322 1 . ALA 7 7 16322 1 . GLY 8 8 16322 1 . THR 9 9 16322 1 . VAL 10 10 16322 1 . PHE 11 11 16322 1 . THR 12 12 16322 1 . THR 13 13 16322 1 . VAL 14 14 16322 1 . GLU 15 15 16322 1 . ASP 16 16 16322 1 . LEU 17 17 16322 1 . GLY 18 18 16322 1 . SER 19 19 16322 1 . LYS 20 20 16322 1 . ILE 21 21 16322 1 . LEU 22 22 16322 1 . LEU 23 23 16322 1 . THR 24 24 16322 1 . CYS 25 25 16322 1 . SER 26 26 16322 1 . LEU 27 27 16322 1 . ASN 28 28 16322 1 . ASP 29 29 16322 1 . SER 30 30 16322 1 . ALA 31 31 16322 1 . THR 32 32 16322 1 . GLU 33 33 16322 1 . VAL 34 34 16322 1 . THR 35 35 16322 1 . GLY 36 36 16322 1 . HIS 37 37 16322 1 . ARG 38 38 16322 1 . TRP 39 39 16322 1 . LEU 40 40 16322 1 . LYS 41 41 16322 1 . GLY 42 42 16322 1 . GLY 43 43 16322 1 . VAL 44 44 16322 1 . VAL 45 45 16322 1 . LEU 46 46 16322 1 . LYS 47 47 16322 1 . GLU 48 48 16322 1 . ASP 49 49 16322 1 . ALA 50 50 16322 1 . LEU 51 51 16322 1 . PRO 52 52 16322 1 . GLY 53 53 16322 1 . GLN 54 54 16322 1 . LYS 55 55 16322 1 . THR 56 56 16322 1 . GLU 57 57 16322 1 . PHE 58 58 16322 1 . LYS 59 59 16322 1 . VAL 60 60 16322 1 . ASP 61 61 16322 1 . SER 62 62 16322 1 . ASP 63 63 16322 1 . ASP 64 64 16322 1 . GLN 65 65 16322 1 . TRP 66 66 16322 1 . GLY 67 67 16322 1 . GLU 68 68 16322 1 . TYR 69 69 16322 1 . SER 70 70 16322 1 . CYS 71 71 16322 1 . VAL 72 72 16322 1 . PHE 73 73 16322 1 . LEU 74 74 16322 1 . PRO 75 75 16322 1 . GLU 76 76 16322 1 . PRO 77 77 16322 1 . MET 78 78 16322 1 . GLY 79 79 16322 1 . THR 80 80 16322 1 . ALA 81 81 16322 1 . ASN 82 82 16322 1 . ILE 83 83 16322 1 . GLN 84 84 16322 1 . LEU 85 85 16322 1 . HIS 86 86 16322 1 . GLY 87 87 16322 1 . PRO 88 88 16322 1 . PRO 89 89 16322 1 . ARG 90 90 16322 1 . VAL 91 91 16322 1 . LYS 92 92 16322 1 . ALA 93 93 16322 1 . VAL 94 94 16322 1 . LYS 95 95 16322 1 . SER 96 96 16322 1 . SER 97 97 16322 1 . GLU 98 98 16322 1 . HIS 99 99 16322 1 . ILE 100 100 16322 1 . ASN 101 101 16322 1 . GLU 102 102 16322 1 . GLY 103 103 16322 1 . GLU 104 104 16322 1 . THR 105 105 16322 1 . ALA 106 106 16322 1 . MET 107 107 16322 1 . LEU 108 108 16322 1 . VAL 109 109 16322 1 . CYS 110 110 16322 1 . LYS 111 111 16322 1 . SER 112 112 16322 1 . GLU 113 113 16322 1 . SER 114 114 16322 1 . VAL 115 115 16322 1 . PRO 116 116 16322 1 . PRO 117 117 16322 1 . VAL 118 118 16322 1 . THR 119 119 16322 1 . ASP 120 120 16322 1 . TRP 121 121 16322 1 . ALA 122 122 16322 1 . TRP 123 123 16322 1 . TYR 124 124 16322 1 . LYS 125 125 16322 1 . ILE 126 126 16322 1 . THR 127 127 16322 1 . ASP 128 128 16322 1 . SER 129 129 16322 1 . GLU 130 130 16322 1 . ASP 131 131 16322 1 . LYS 132 132 16322 1 . ALA 133 133 16322 1 . LEU 134 134 16322 1 . MET 135 135 16322 1 . ASN 136 136 16322 1 . GLY 137 137 16322 1 . SER 138 138 16322 1 . GLU 139 139 16322 1 . SER 140 140 16322 1 . ARG 141 141 16322 1 . PHE 142 142 16322 1 . PHE 143 143 16322 1 . VAL 144 144 16322 1 . SER 145 145 16322 1 . SER 146 146 16322 1 . SER 147 147 16322 1 . GLN 148 148 16322 1 . GLY 149 149 16322 1 . ARG 150 150 16322 1 . SER 151 151 16322 1 . GLU 152 152 16322 1 . LEU 153 153 16322 1 . HIS 154 154 16322 1 . ILE 155 155 16322 1 . GLU 156 156 16322 1 . ASN 157 157 16322 1 . LEU 158 158 16322 1 . ASN 159 159 16322 1 . MET 160 160 16322 1 . GLU 161 161 16322 1 . ALA 162 162 16322 1 . ASP 163 163 16322 1 . PRO 164 164 16322 1 . GLY 165 165 16322 1 . GLN 166 166 16322 1 . TYR 167 167 16322 1 . ARG 168 168 16322 1 . CYS 169 169 16322 1 . ASN 170 170 16322 1 . GLY 171 171 16322 1 . THR 172 172 16322 1 . SER 173 173 16322 1 . SER 174 174 16322 1 . LYS 175 175 16322 1 . GLY 176 176 16322 1 . SER 177 177 16322 1 . ASP 178 178 16322 1 . GLN 179 179 16322 1 . ALA 180 180 16322 1 . ILE 181 181 16322 1 . ILE 182 182 16322 1 . THR 183 183 16322 1 . LEU 184 184 16322 1 . ARG 185 185 16322 1 . VAL 186 186 16322 1 . ARG 187 187 16322 1 . SER 188 188 16322 1 . HIS 189 189 16322 1 . LEU 190 190 16322 1 . ALA 191 191 16322 1 . ALA 192 192 16322 1 . LEU 193 193 16322 1 . TRP 194 194 16322 1 . PRO 195 195 16322 1 . PHE 196 196 16322 1 . LEU 197 197 16322 1 . GLY 198 198 16322 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 16322 _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 $CD147_22-214 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16322 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 16322 _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 $CD147_22-214 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli DE3 . . . . . . . . . . . . . . . pET15b . . . . . . 16322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16322 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 16322 1 2 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 16322 1 3 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 16322 1 4 'CD147 22-214' '[U-99% 13C; U-99% 15N]' . . 1 $CD147_22-214 . . 0.5 . . mM . . . . 16322 1 5 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16322 1 6 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16322 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16322 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.232 . M 16322 1 pH 6.5 . pH 16322 1 pressure 1 . atm 16322 1 temperature 298.15 . K 16322 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16322 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16322 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16322 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16322 2 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 16322 _Software.ID 3 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16322 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16322 3 stop_ save_ save_CcpNMR _Software.Sf_category software _Software.Sf_framecode CcpNMR _Software.Entry_ID 16322 _Software.ID 4 _Software.Name CcpNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 16322 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16322 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16322 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VNMRS _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16322 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 16322 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 16322 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_5 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_5 _NMR_spectrometer.Entry_ID 16322 _NMR_spectrometer.ID 5 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 720 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16322 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian VNMRS . 900 . . . 16322 1 2 spectrometer_2 Varian INOVA . 800 . . . 16322 1 3 spectrometer_3 Varian INOVA . 800 . . . 16322 1 4 spectrometer_4 Varian INOVA . 600 . . . 16322 1 5 spectrometer_5 Varian INOVA . 720 . . . 16322 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16322 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16322 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16322 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16322 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16322 1 5 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16322 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16322 _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 water protons . . . . ppm 4.77 internal indirect 0.25144953 . . . . . . . . . 16322 1 H 1 water protons . . . . ppm 4.77 internal direct 1.00000000 . . . . . . . . . 16322 1 N 15 water protons . . . . ppm 4.77 internal indirect 0.10132911 . . . . . . . . . 16322 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16322 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16322 1 2 '3D CBCA(CO)NH' . . . 16322 1 3 '3D HNCACB' . . . 16322 1 4 '3D 1H-15N NOESY' . . . 16322 1 5 '3D 1H-15N TOCSY' . . . 16322 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 6 6 ALA H H 1 8.289 0.05 . 1 . . . . 22 A HN . 16322 1 2 . 1 1 6 6 ALA CA C 13 51.768 0.3 . 1 . . . . 22 A CA . 16322 1 3 . 1 1 6 6 ALA CB C 13 18.666 0.3 . 1 . . . . 22 A CB . 16322 1 4 . 1 1 6 6 ALA N N 15 125.573 0.3 . 1 . . . . 22 A N . 16322 1 5 . 1 1 7 7 ALA H H 1 8.372 0.05 . 1 . . . . 23 A HN . 16322 1 6 . 1 1 7 7 ALA CA C 13 52.061 0.3 . 1 . . . . 23 A CA . 16322 1 7 . 1 1 7 7 ALA CB C 13 19.152 0.3 . 1 . . . . 23 A CB . 16322 1 8 . 1 1 7 7 ALA N N 15 124.04 0.3 . 1 . . . . 23 A N . 16322 1 9 . 1 1 8 8 GLY H H 1 8.378 0.05 . 1 . . . . 24 G HN . 16322 1 10 . 1 1 8 8 GLY CA C 13 44.727 0.3 . 1 . . . . 24 G CA . 16322 1 11 . 1 1 8 8 GLY N N 15 108.958 0.3 . 1 . . . . 24 G N . 16322 1 12 . 1 1 9 9 THR H H 1 8.285 0.05 . 1 . . . . 25 T HN . 16322 1 13 . 1 1 9 9 THR CA C 13 62.154 0.3 . 1 . . . . 25 T CA . 16322 1 14 . 1 1 9 9 THR CB C 13 69.564 0.3 . 1 . . . . 25 T CB . 16322 1 15 . 1 1 9 9 THR N N 15 115.606 0.3 . 1 . . . . 25 T N . 16322 1 16 . 1 1 10 10 VAL H H 1 8.218 0.05 . 1 . . . . 26 V HN . 16322 1 17 . 1 1 10 10 VAL CA C 13 60.35 0.3 . 1 . . . . 26 V CA . 16322 1 18 . 1 1 10 10 VAL CB C 13 33.419 0.3 . 1 . . . . 26 V CB . 16322 1 19 . 1 1 10 10 VAL N N 15 124.502 0.3 . 1 . . . . 26 V N . 16322 1 20 . 1 1 11 11 PHE H H 1 9.176 0.05 . 1 . . . . 27 F HN . 16322 1 21 . 1 1 11 11 PHE CA C 13 55.933 0.3 . 1 . . . . 27 F CA . 16322 1 22 . 1 1 11 11 PHE CB C 13 40.292 0.3 . 1 . . . . 27 F CB . 16322 1 23 . 1 1 11 11 PHE N N 15 127.756 0.3 . 1 . . . . 27 F N . 16322 1 24 . 1 1 12 12 THR H H 1 8.593 0.05 . 1 . . . . 28 T HN . 16322 1 25 . 1 1 12 12 THR CA C 13 59.079 0.3 . 1 . . . . 28 T CA . 16322 1 26 . 1 1 12 12 THR CB C 13 71.046 0.3 . 1 . . . . 28 T CB . 16322 1 27 . 1 1 12 12 THR N N 15 117.181 0.3 . 1 . . . . 28 T N . 16322 1 28 . 1 1 13 13 THR H H 1 8.551 0.05 . 1 . . . . 29 T HN . 16322 1 29 . 1 1 13 13 THR CA C 13 60.646 0.3 . 1 . . . . 29 T CA . 16322 1 30 . 1 1 13 13 THR CB C 13 71.96 0.3 . 1 . . . . 29 T CB . 16322 1 31 . 1 1 13 13 THR N N 15 112.116 0.3 . 1 . . . . 29 T N . 16322 1 32 . 1 1 14 14 VAL H H 1 8.087 0.05 . 1 . . . . 30 V HN . 16322 1 33 . 1 1 14 14 VAL CA C 13 61.034 0.3 . 1 . . . . 30 V CA . 16322 1 34 . 1 1 14 14 VAL CB C 13 33.838 0.3 . 1 . . . . 30 V CB . 16322 1 35 . 1 1 14 14 VAL N N 15 120.342 0.3 . 1 . . . . 30 V N . 16322 1 36 . 1 1 15 15 GLU H H 1 9.021 0.05 . 1 . . . . 31 E HN . 16322 1 37 . 1 1 15 15 GLU CA C 13 54.12 0.3 . 1 . . . . 31 E CA . 16322 1 38 . 1 1 15 15 GLU CB C 13 32.367 0.3 . 1 . . . . 31 E CB . 16322 1 39 . 1 1 15 15 GLU N N 15 126.945 0.3 . 1 . . . . 31 E N . 16322 1 40 . 1 1 16 16 ASP H H 1 8.857 0.05 . 1 . . . . 32 D HN . 16322 1 41 . 1 1 16 16 ASP CA C 13 53.693 0.3 . 1 . . . . 32 D CA . 16322 1 42 . 1 1 16 16 ASP CB C 13 40.489 0.3 . 1 . . . . 32 D CB . 16322 1 43 . 1 1 16 16 ASP N N 15 124.832 0.3 . 1 . . . . 32 D N . 16322 1 44 . 1 1 17 17 LEU H H 1 8.447 0.05 . 1 . . . . 33 L HN . 16322 1 45 . 1 1 17 17 LEU CA C 13 53.536 0.3 . 1 . . . . 33 L CA . 16322 1 46 . 1 1 17 17 LEU CB C 13 41.029 0.3 . 1 . . . . 33 L CB . 16322 1 47 . 1 1 17 17 LEU N N 15 127.482 0.3 . 1 . . . . 33 L N . 16322 1 48 . 1 1 18 18 GLY H H 1 8.93 0.05 . 1 . . . . 34 G HN . 16322 1 49 . 1 1 18 18 GLY CA C 13 46.058 0.3 . 1 . . . . 34 G CA . 16322 1 50 . 1 1 18 18 GLY N N 15 113.235 0.3 . 1 . . . . 34 G N . 16322 1 51 . 1 1 20 20 LYS H H 1 7.285 0.05 . 1 . . . . 36 K HN . 16322 1 52 . 1 1 20 20 LYS CA C 13 53.72 0.3 . 1 . . . . 36 K CA . 16322 1 53 . 1 1 20 20 LYS CB C 13 35.065 0.3 . 1 . . . . 36 K CB . 16322 1 54 . 1 1 20 20 LYS N N 15 118.638 0.3 . 1 . . . . 36 K N . 16322 1 55 . 1 1 21 21 ILE H H 1 8.491 0.05 . 1 . . . . 37 I HN . 16322 1 56 . 1 1 21 21 ILE CA C 13 59.136 0.3 . 1 . . . . 37 I CA . 16322 1 57 . 1 1 21 21 ILE CB C 13 39.822 0.3 . 1 . . . . 37 I CB . 16322 1 58 . 1 1 21 21 ILE N N 15 119.067 0.3 . 1 . . . . 37 I N . 16322 1 59 . 1 1 22 22 LEU H H 1 9.177 0.05 . 1 . . . . 38 L HN . 16322 1 60 . 1 1 22 22 LEU CA C 13 53.288 0.3 . 1 . . . . 38 L CA . 16322 1 61 . 1 1 22 22 LEU CB C 13 43.868 0.3 . 1 . . . . 38 L CB . 16322 1 62 . 1 1 22 22 LEU N N 15 127.534 0.3 . 1 . . . . 38 L N . 16322 1 63 . 1 1 23 23 LEU H H 1 9.104 0.05 . 1 . . . . 39 L HN . 16322 1 64 . 1 1 23 23 LEU CA C 13 52.813 0.3 . 1 . . . . 39 L CA . 16322 1 65 . 1 1 23 23 LEU CB C 13 42.209 0.3 . 1 . . . . 39 L CB . 16322 1 66 . 1 1 23 23 LEU N N 15 129.979 0.3 . 1 . . . . 39 L N . 16322 1 67 . 1 1 24 24 THR H H 1 8.796 0.05 . 1 . . . . 40 T HN . 16322 1 68 . 1 1 24 24 THR CA C 13 60.862 0.3 . 1 . . . . 40 T CA . 16322 1 69 . 1 1 24 24 THR CB C 13 70.902 0.3 . 1 . . . . 40 T CB . 16322 1 70 . 1 1 24 24 THR N N 15 113.465 0.3 . 1 . . . . 40 T N . 16322 1 71 . 1 1 25 25 CYS H H 1 9.098 0.05 . 1 . . . . 41 C HN . 16322 1 72 . 1 1 25 25 CYS CA C 13 54.052 0.3 . 1 . . . . 41 C CA . 16322 1 73 . 1 1 25 25 CYS CB C 13 47.74 0.3 . 1 . . . . 41 C CB . 16322 1 74 . 1 1 25 25 CYS N N 15 118.955 0.3 . 1 . . . . 41 C N . 16322 1 75 . 1 1 26 26 SER H H 1 9.119 0.05 . 1 . . . . 42 S HN . 16322 1 76 . 1 1 26 26 SER CA C 13 56.551 0.3 . 1 . . . . 42 S CA . 16322 1 77 . 1 1 26 26 SER CB C 13 65.049 0.3 . 1 . . . . 42 S CB . 16322 1 78 . 1 1 26 26 SER N N 15 117.364 0.3 . 1 . . . . 42 S N . 16322 1 79 . 1 1 27 27 LEU H H 1 8.766 0.05 . 1 . . . . 43 L HN . 16322 1 80 . 1 1 27 27 LEU CA C 13 53.718 0.3 . 1 . . . . 43 L CA . 16322 1 81 . 1 1 27 27 LEU CB C 13 42.052 0.3 . 1 . . . . 43 L CB . 16322 1 82 . 1 1 27 27 LEU N N 15 127.175 0.3 . 1 . . . . 43 L N . 16322 1 83 . 1 1 28 28 ASN H H 1 8.573 0.05 . 1 . . . . 44 N HN . 16322 1 84 . 1 1 28 28 ASN CA C 13 53.41 0.3 . 1 . . . . 44 N CA . 16322 1 85 . 1 1 28 28 ASN CB C 13 38.979 0.3 . 1 . . . . 44 N CB . 16322 1 86 . 1 1 28 28 ASN N N 15 123.099 0.3 . 1 . . . . 44 N N . 16322 1 87 . 1 1 29 29 ASP H H 1 7.963 0.05 . 1 . . . . 45 D HN . 16322 1 88 . 1 1 29 29 ASP CA C 13 53.992 0.3 . 1 . . . . 45 D CA . 16322 1 89 . 1 1 29 29 ASP CB C 13 41.037 0.3 . 1 . . . . 45 D CB . 16322 1 90 . 1 1 29 29 ASP N N 15 118.384 0.3 . 1 . . . . 45 D N . 16322 1 91 . 1 1 30 30 SER H H 1 8.31 0.05 . 1 . . . . 46 S HN . 16322 1 92 . 1 1 30 30 SER CA C 13 57.977 0.3 . 1 . . . . 46 S CA . 16322 1 93 . 1 1 30 30 SER CB C 13 63.5 0.3 . 1 . . . . 46 S CB . 16322 1 94 . 1 1 30 30 SER N N 15 115.359 0.3 . 1 . . . . 46 S N . 16322 1 95 . 1 1 31 31 ALA H H 1 8.504 0.05 . 1 . . . . 47 A HN . 16322 1 96 . 1 1 31 31 ALA CA C 13 52.302 0.3 . 1 . . . . 47 A CA . 16322 1 97 . 1 1 31 31 ALA CB C 13 18.507 0.3 . 1 . . . . 47 A CB . 16322 1 98 . 1 1 31 31 ALA N N 15 125.839 0.3 . 1 . . . . 47 A N . 16322 1 99 . 1 1 32 32 THR H H 1 7.684 0.05 . 1 . . . . 48 T HN . 16322 1 100 . 1 1 32 32 THR CA C 13 61.561 0.3 . 1 . . . . 48 T CA . 16322 1 101 . 1 1 32 32 THR CB C 13 69.412 0.3 . 1 . . . . 48 T CB . 16322 1 102 . 1 1 32 32 THR N N 15 113.048 0.3 . 1 . . . . 48 T N . 16322 1 103 . 1 1 33 33 GLU H H 1 8.358 0.05 . 1 . . . . 49 E HN . 16322 1 104 . 1 1 33 33 GLU CA C 13 56.132 0.3 . 1 . . . . 49 E CA . 16322 1 105 . 1 1 33 33 GLU CB C 13 29.152 0.3 . 1 . . . . 49 E CB . 16322 1 106 . 1 1 33 33 GLU N N 15 123.592 0.3 . 1 . . . . 49 E N . 16322 1 107 . 1 1 34 34 VAL H H 1 7.881 0.05 . 1 . . . . 50 V HN . 16322 1 108 . 1 1 34 34 VAL CA C 13 62.078 0.3 . 1 . . . . 50 V CA . 16322 1 109 . 1 1 34 34 VAL CB C 13 32.627 0.3 . 1 . . . . 50 V CB . 16322 1 110 . 1 1 34 34 VAL N N 15 124.422 0.3 . 1 . . . . 50 V N . 16322 1 111 . 1 1 35 35 THR H H 1 9.302 0.05 . 1 . . . . 51 T HN . 16322 1 112 . 1 1 35 35 THR CA C 13 60.393 0.3 . 1 . . . . 51 T CA . 16322 1 113 . 1 1 35 35 THR CB C 13 68.465 0.3 . 1 . . . . 51 T CB . 16322 1 114 . 1 1 35 35 THR N N 15 117.823 0.3 . 1 . . . . 51 T N . 16322 1 115 . 1 1 36 36 GLY H H 1 7.127 0.05 . 1 . . . . 52 G HN . 16322 1 116 . 1 1 36 36 GLY CA C 13 45.338 0.3 . 1 . . . . 52 G CA . 16322 1 117 . 1 1 36 36 GLY N N 15 109.048 0.3 . 1 . . . . 52 G N . 16322 1 118 . 1 1 37 37 HIS H H 1 7.948 0.05 . 1 . . . . 53 H HN . 16322 1 119 . 1 1 37 37 HIS CA C 13 53.915 0.3 . 1 . . . . 53 H CA . 16322 1 120 . 1 1 37 37 HIS CB C 13 31.78 0.3 . 1 . . . . 53 H CB . 16322 1 121 . 1 1 37 37 HIS N N 15 113.49 0.3 . 1 . . . . 53 H N . 16322 1 122 . 1 1 38 38 ARG H H 1 9.1 0.05 . 1 . . . . 54 R HN . 16322 1 123 . 1 1 38 38 ARG CA C 13 54.85 0.3 . 1 . . . . 54 R CA . 16322 1 124 . 1 1 38 38 ARG CB C 13 35.081 0.3 . 1 . . . . 54 R CB . 16322 1 125 . 1 1 38 38 ARG N N 15 120.849 0.3 . 1 . . . . 54 R N . 16322 1 126 . 1 1 39 39 TRP H H 1 8.957 0.05 . 1 . . . . 55 W HN . 16322 1 127 . 1 1 39 39 TRP HE1 H 1 9.96 0.05 . 1 . . . . 55 W HE1 . 16322 1 128 . 1 1 39 39 TRP CA C 13 56.019 0.3 . 1 . . . . 55 W CA . 16322 1 129 . 1 1 39 39 TRP CB C 13 31.56 0.3 . 1 . . . . 55 W CB . 16322 1 130 . 1 1 39 39 TRP N N 15 122.611 0.3 . 1 . . . . 55 W N . 16322 1 131 . 1 1 39 39 TRP NE1 N 15 130.562 0.3 . 1 . . . . 55 W NE1 . 16322 1 132 . 1 1 40 40 LEU H H 1 9.404 0.05 . 1 . . . . 56 L HN . 16322 1 133 . 1 1 40 40 LEU CA C 13 54.21 0.3 . 1 . . . . 56 L CA . 16322 1 134 . 1 1 40 40 LEU CB C 13 45.963 0.3 . 1 . . . . 56 L CB . 16322 1 135 . 1 1 40 40 LEU N N 15 122.219 0.3 . 1 . . . . 56 L N . 16322 1 136 . 1 1 41 41 LYS H H 1 8.416 0.05 . 1 . . . . 57 K HN . 16322 1 137 . 1 1 41 41 LYS CA C 13 55.805 0.3 . 1 . . . . 57 K CA . 16322 1 138 . 1 1 41 41 LYS CB C 13 35.642 0.3 . 1 . . . . 57 K CB . 16322 1 139 . 1 1 41 41 LYS N N 15 118.76 0.3 . 1 . . . . 57 K N . 16322 1 140 . 1 1 42 42 GLY H H 1 9.315 0.05 . 1 . . . . 58 G HN . 16322 1 141 . 1 1 42 42 GLY CA C 13 46.749 0.3 . 1 . . . . 58 G CA . 16322 1 142 . 1 1 42 42 GLY N N 15 120.159 0.3 . 1 . . . . 58 G N . 16322 1 143 . 1 1 43 43 GLY H H 1 8.746 0.05 . 1 . . . . 59 G HN . 16322 1 144 . 1 1 43 43 GLY CA C 13 44.619 0.3 . 1 . . . . 59 G CA . 16322 1 145 . 1 1 43 43 GLY N N 15 106.244 0.3 . 1 . . . . 59 G N . 16322 1 146 . 1 1 44 44 VAL H H 1 7.709 0.05 . 1 . . . . 60 V HN . 16322 1 147 . 1 1 44 44 VAL CA C 13 60.914 0.3 . 1 . . . . 60 V CA . 16322 1 148 . 1 1 44 44 VAL CB C 13 32.752 0.3 . 1 . . . . 60 V CB . 16322 1 149 . 1 1 44 44 VAL N N 15 122.586 0.3 . 1 . . . . 60 V N . 16322 1 150 . 1 1 45 45 VAL H H 1 8.662 0.05 . 1 . . . . 61 V HN . 16322 1 151 . 1 1 45 45 VAL CA C 13 63.612 0.3 . 1 . . . . 61 V CA . 16322 1 152 . 1 1 45 45 VAL CB C 13 30.702 0.3 . 1 . . . . 61 V CB . 16322 1 153 . 1 1 45 45 VAL N N 15 126.086 0.3 . 1 . . . . 61 V N . 16322 1 154 . 1 1 46 46 LEU H H 1 9.363 0.05 . 1 . . . . 62 L HN . 16322 1 155 . 1 1 46 46 LEU CA C 13 54.894 0.3 . 1 . . . . 62 L CA . 16322 1 156 . 1 1 46 46 LEU CB C 13 42.855 0.3 . 1 . . . . 62 L CB . 16322 1 157 . 1 1 46 46 LEU N N 15 129.653 0.3 . 1 . . . . 62 L N . 16322 1 158 . 1 1 47 47 LYS H H 1 7.616 0.05 . 1 . . . . 63 K HN . 16322 1 159 . 1 1 47 47 LYS CA C 13 55.635 0.3 . 1 . . . . 63 K CA . 16322 1 160 . 1 1 47 47 LYS CB C 13 35.489 0.3 . 1 . . . . 63 K CB . 16322 1 161 . 1 1 47 47 LYS N N 15 117.599 0.3 . 1 . . . . 63 K N . 16322 1 162 . 1 1 48 48 GLU H H 1 8.761 0.05 . 1 . . . . 64 E HN . 16322 1 163 . 1 1 48 48 GLU CA C 13 54.791 0.3 . 1 . . . . 64 E CA . 16322 1 164 . 1 1 48 48 GLU CB C 13 32.322 0.3 . 1 . . . . 64 E CB . 16322 1 165 . 1 1 48 48 GLU N N 15 124.974 0.3 . 1 . . . . 64 E N . 16322 1 166 . 1 1 49 49 ASP H H 1 9.281 0.05 . 1 . . . . 65 D HN . 16322 1 167 . 1 1 49 49 ASP CA C 13 52.642 0.3 . 1 . . . . 65 D CA . 16322 1 168 . 1 1 49 49 ASP CB C 13 44.575 0.3 . 1 . . . . 65 D CB . 16322 1 169 . 1 1 49 49 ASP N N 15 120.958 0.3 . 1 . . . . 65 D N . 16322 1 170 . 1 1 50 50 ALA H H 1 8.966 0.05 . 1 . . . . 66 A HN . 16322 1 171 . 1 1 50 50 ALA CA C 13 50.067 0.3 . 1 . . . . 66 A CA . 16322 1 172 . 1 1 50 50 ALA CB C 13 17.904 0.3 . 1 . . . . 66 A CB . 16322 1 173 . 1 1 50 50 ALA N N 15 126.637 0.3 . 1 . . . . 66 A N . 16322 1 174 . 1 1 51 51 LEU H H 1 8.49 0.05 . 1 . . . . 67 L HN . 16322 1 175 . 1 1 51 51 LEU CA C 13 52.181 0.3 . 1 . . . . 67 L CA . 16322 1 176 . 1 1 51 51 LEU CB C 13 41.832 0.3 . 1 . . . . 67 L CB . 16322 1 177 . 1 1 51 51 LEU N N 15 123.075 0.3 . 1 . . . . 67 L N . 16322 1 178 . 1 1 52 52 PRO CA C 13 61.58 0.3 . 1 . . . . 68 P CA . 16322 1 179 . 1 1 52 52 PRO CB C 13 31.747 0.3 . 1 . . . . 68 P CB . 16322 1 180 . 1 1 53 53 GLY H H 1 7.827 0.05 . 1 . . . . 69 G HN . 16322 1 181 . 1 1 53 53 GLY CA C 13 45.868 0.3 . 1 . . . . 69 G CA . 16322 1 182 . 1 1 53 53 GLY N N 15 106.79 0.3 . 1 . . . . 69 G N . 16322 1 183 . 1 1 54 54 GLN H H 1 8.912 0.05 . 1 . . . . 70 Q HN . 16322 1 184 . 1 1 54 54 GLN CA C 13 57.341 0.3 . 1 . . . . 70 Q CA . 16322 1 185 . 1 1 54 54 GLN CB C 13 28.18 0.3 . 1 . . . . 70 Q CB . 16322 1 186 . 1 1 54 54 GLN N N 15 124.371 0.3 . 1 . . . . 70 Q N . 16322 1 187 . 1 1 55 55 LYS H H 1 7.95 0.05 . 1 . . . . 71 K HN . 16322 1 188 . 1 1 55 55 LYS CA C 13 54.031 0.3 . 1 . . . . 71 K CA . 16322 1 189 . 1 1 55 55 LYS CB C 13 35.067 0.3 . 1 . . . . 71 K CB . 16322 1 190 . 1 1 55 55 LYS N N 15 118.064 0.3 . 1 . . . . 71 K N . 16322 1 191 . 1 1 56 56 THR H H 1 8.961 0.05 . 1 . . . . 72 T HN . 16322 1 192 . 1 1 56 56 THR CA C 13 59.693 0.3 . 1 . . . . 72 T CA . 16322 1 193 . 1 1 56 56 THR CB C 13 68.476 0.3 . 1 . . . . 72 T CB . 16322 1 194 . 1 1 56 56 THR N N 15 118.686 0.3 . 1 . . . . 72 T N . 16322 1 195 . 1 1 57 57 GLU H H 1 8.269 0.05 . 1 . . . . 73 E HN . 16322 1 196 . 1 1 57 57 GLU CA C 13 54.021 0.3 . 1 . . . . 73 E CA . 16322 1 197 . 1 1 57 57 GLU CB C 13 33.627 0.3 . 1 . . . . 73 E CB . 16322 1 198 . 1 1 57 57 GLU N N 15 126.713 0.3 . 1 . . . . 73 E N . 16322 1 199 . 1 1 58 58 PHE H H 1 8.706 0.05 . 1 . . . . 74 F HN . 16322 1 200 . 1 1 58 58 PHE CA C 13 57.379 0.3 . 1 . . . . 74 F CA . 16322 1 201 . 1 1 58 58 PHE CB C 13 40.019 0.3 . 1 . . . . 74 F CB . 16322 1 202 . 1 1 58 58 PHE N N 15 122.078 0.3 . 1 . . . . 74 F N . 16322 1 203 . 1 1 59 59 LYS H H 1 7.147 0.05 . 1 . . . . 75 K HN . 16322 1 204 . 1 1 59 59 LYS CA C 13 54.576 0.3 . 1 . . . . 75 K CA . 16322 1 205 . 1 1 59 59 LYS CB C 13 33.449 0.3 . 1 . . . . 75 K CB . 16322 1 206 . 1 1 59 59 LYS N N 15 126.574 0.3 . 1 . . . . 75 K N . 16322 1 207 . 1 1 60 60 VAL H H 1 8.821 0.05 . 1 . . . . 76 V HN . 16322 1 208 . 1 1 60 60 VAL CA C 13 60.226 0.3 . 1 . . . . 76 V CA . 16322 1 209 . 1 1 60 60 VAL CB C 13 33.382 0.3 . 1 . . . . 76 V CB . 16322 1 210 . 1 1 60 60 VAL N N 15 122.603 0.3 . 1 . . . . 76 V N . 16322 1 211 . 1 1 61 61 ASP H H 1 8.843 0.05 . 1 . . . . 77 D HN . 16322 1 212 . 1 1 61 61 ASP CA C 13 54.728 0.3 . 1 . . . . 77 D CA . 16322 1 213 . 1 1 61 61 ASP CB C 13 41.199 0.3 . 1 . . . . 77 D CB . 16322 1 214 . 1 1 61 61 ASP N N 15 127.087 0.3 . 1 . . . . 77 D N . 16322 1 215 . 1 1 62 62 SER H H 1 8.285 0.05 . 1 . . . . 78 S HN . 16322 1 216 . 1 1 62 62 SER CA C 13 60.869 0.3 . 1 . . . . 78 S CA . 16322 1 217 . 1 1 62 62 SER CB C 13 63.163 0.3 . 1 . . . . 78 S CB . 16322 1 218 . 1 1 62 62 SER N N 15 116.297 0.3 . 1 . . . . 78 S N . 16322 1 219 . 1 1 63 63 ASP H H 1 8.49 0.05 . 1 . . . . 79 D HN . 16322 1 220 . 1 1 63 63 ASP CA C 13 55.113 0.3 . 1 . . . . 79 D CA . 16322 1 221 . 1 1 63 63 ASP CB C 13 40.765 0.3 . 1 . . . . 79 D CB . 16322 1 222 . 1 1 63 63 ASP N N 15 119.097 0.3 . 1 . . . . 79 D N . 16322 1 223 . 1 1 64 64 ASP H H 1 7.77 0.05 . 1 . . . . 80 D HN . 16322 1 224 . 1 1 64 64 ASP CA C 13 53.706 0.3 . 1 . . . . 80 D CA . 16322 1 225 . 1 1 64 64 ASP CB C 13 41.126 0.3 . 1 . . . . 80 D CB . 16322 1 226 . 1 1 64 64 ASP N N 15 117.629 0.3 . 1 . . . . 80 D N . 16322 1 227 . 1 1 65 65 GLN H H 1 7.361 0.05 . 1 . . . . 81 Q HN . 16322 1 228 . 1 1 65 65 GLN CA C 13 55.359 0.3 . 1 . . . . 81 Q CA . 16322 1 229 . 1 1 65 65 GLN CB C 13 26.544 0.3 . 1 . . . . 81 Q CB . 16322 1 230 . 1 1 65 65 GLN N N 15 118.665 0.3 . 1 . . . . 81 Q N . 16322 1 231 . 1 1 66 66 TRP H H 1 7.914 0.05 . 1 . . . . 82 W HN . 16322 1 232 . 1 1 66 66 TRP CA C 13 55.953 0.3 . 1 . . . . 82 W CA . 16322 1 233 . 1 1 66 66 TRP CB C 13 29.994 0.3 . 1 . . . . 82 W CB . 16322 1 234 . 1 1 66 66 TRP N N 15 121.982 0.3 . 1 . . . . 82 W N . 16322 1 235 . 1 1 67 67 GLY H H 1 8.811 0.05 . 1 . . . . 83 G HN . 16322 1 236 . 1 1 67 67 GLY CA C 13 44.81 0.3 . 1 . . . . 83 G CA . 16322 1 237 . 1 1 67 67 GLY N N 15 108.52 0.3 . 1 . . . . 83 G N . 16322 1 238 . 1 1 68 68 GLU H H 1 8.145 0.05 . 1 . . . . 84 E HN . 16322 1 239 . 1 1 68 68 GLU CA C 13 54.658 0.3 . 1 . . . . 84 E CA . 16322 1 240 . 1 1 68 68 GLU CB C 13 31.383 0.3 . 1 . . . . 84 E CB . 16322 1 241 . 1 1 68 68 GLU N N 15 119.959 0.3 . 1 . . . . 84 E N . 16322 1 242 . 1 1 69 69 TYR H H 1 9.236 0.05 . 1 . . . . 85 Y HN . 16322 1 243 . 1 1 69 69 TYR CA C 13 56.663 0.3 . 1 . . . . 85 Y CA . 16322 1 244 . 1 1 69 69 TYR CB C 13 42.019 0.3 . 1 . . . . 85 Y CB . 16322 1 245 . 1 1 69 69 TYR N N 15 126.445 0.3 . 1 . . . . 85 Y N . 16322 1 246 . 1 1 70 70 SER H H 1 9.282 0.05 . 1 . . . . 86 S HN . 16322 1 247 . 1 1 70 70 SER CA C 13 56.232 0.3 . 1 . . . . 86 S CA . 16322 1 248 . 1 1 70 70 SER CB C 13 65.256 0.3 . 1 . . . . 86 S CB . 16322 1 249 . 1 1 70 70 SER N N 15 115.19 0.3 . 1 . . . . 86 S N . 16322 1 250 . 1 1 71 71 CYS H H 1 8.586 0.05 . 1 . . . . 87 C HN . 16322 1 251 . 1 1 71 71 CYS CA C 13 51.866 0.3 . 1 . . . . 87 C CA . 16322 1 252 . 1 1 71 71 CYS CB C 13 42.466 0.3 . 1 . . . . 87 C CB . 16322 1 253 . 1 1 71 71 CYS N N 15 119.757 0.3 . 1 . . . . 87 C N . 16322 1 254 . 1 1 72 72 VAL H H 1 8.816 0.05 . 1 . . . . 88 V HN . 16322 1 255 . 1 1 72 72 VAL CA C 13 60.811 0.3 . 1 . . . . 88 V CA . 16322 1 256 . 1 1 72 72 VAL CB C 13 34.819 0.3 . 1 . . . . 88 V CB . 16322 1 257 . 1 1 72 72 VAL N N 15 123.18 0.3 . 1 . . . . 88 V N . 16322 1 258 . 1 1 73 73 PHE H H 1 8.97 0.05 . 1 . . . . 89 F HN . 16322 1 259 . 1 1 73 73 PHE CA C 13 57.879 0.3 . 1 . . . . 89 F CA . 16322 1 260 . 1 1 73 73 PHE CB C 13 39.03 0.3 . 1 . . . . 89 F CB . 16322 1 261 . 1 1 73 73 PHE N N 15 125.428 0.3 . 1 . . . . 89 F N . 16322 1 262 . 1 1 74 74 LEU H H 1 7.839 0.05 . 1 . . . . 90 L HN . 16322 1 263 . 1 1 74 74 LEU CA C 13 50.948 0.3 . 1 . . . . 90 L CA . 16322 1 264 . 1 1 74 74 LEU CB C 13 39.553 0.3 . 1 . . . . 90 L CB . 16322 1 265 . 1 1 74 74 LEU N N 15 121.51 0.3 . 1 . . . . 90 L N . 16322 1 266 . 1 1 75 75 PRO CA C 13 60.508 0.3 . 1 . . . . 91 P CA . 16322 1 267 . 1 1 75 75 PRO CB C 13 33.339 0.3 . 1 . . . . 91 P CB . 16322 1 268 . 1 1 76 76 GLU H H 1 8.833 0.05 . 1 . . . . 92 E HN . 16322 1 269 . 1 1 76 76 GLU CA C 13 55.173 0.3 . 1 . . . . 92 E CA . 16322 1 270 . 1 1 76 76 GLU CB C 13 28.983 0.3 . 1 . . . . 92 E CB . 16322 1 271 . 1 1 76 76 GLU N N 15 123.178 0.3 . 1 . . . . 92 E N . 16322 1 272 . 1 1 77 77 PRO CA C 13 62.625 0.3 . 1 . . . . 93 P CA . 16322 1 273 . 1 1 77 77 PRO CB C 13 30.022 0.3 . 1 . . . . 93 P CB . 16322 1 274 . 1 1 78 78 MET H H 1 8.886 0.05 . 1 . . . . 94 M HN . 16322 1 275 . 1 1 78 78 MET CA C 13 58.606 0.3 . 1 . . . . 94 M CA . 16322 1 276 . 1 1 78 78 MET CB C 13 32.369 0.3 . 1 . . . . 94 M CB . 16322 1 277 . 1 1 78 78 MET N N 15 123.295 0.3 . 1 . . . . 94 M N . 16322 1 278 . 1 1 79 79 GLY H H 1 8.808 0.05 . 1 . . . . 95 G HN . 16322 1 279 . 1 1 79 79 GLY CA C 13 47.09 0.3 . 1 . . . . 95 G CA . 16322 1 280 . 1 1 79 79 GLY N N 15 105.451 0.3 . 1 . . . . 95 G N . 16322 1 281 . 1 1 80 80 THR H H 1 8.506 0.05 . 1 . . . . 96 T HN . 16322 1 282 . 1 1 80 80 THR CA C 13 59.502 0.3 . 1 . . . . 96 T CA . 16322 1 283 . 1 1 80 80 THR CB C 13 71.101 0.3 . 1 . . . . 96 T CB . 16322 1 284 . 1 1 80 80 THR N N 15 122.541 0.3 . 1 . . . . 96 T N . 16322 1 285 . 1 1 81 81 ALA H H 1 8.427 0.05 . 1 . . . . 97 A HN . 16322 1 286 . 1 1 81 81 ALA CA C 13 50.995 0.3 . 1 . . . . 97 A CA . 16322 1 287 . 1 1 81 81 ALA CB C 13 22.598 0.3 . 1 . . . . 97 A CB . 16322 1 288 . 1 1 81 81 ALA N N 15 125.968 0.3 . 1 . . . . 97 A N . 16322 1 289 . 1 1 82 82 ASN H H 1 8.43 0.05 . 1 . . . . 98 N HN . 16322 1 290 . 1 1 82 82 ASN CA C 13 51.186 0.3 . 1 . . . . 98 N CA . 16322 1 291 . 1 1 82 82 ASN CB C 13 40.912 0.3 . 1 . . . . 98 N CB . 16322 1 292 . 1 1 82 82 ASN N N 15 116.575 0.3 . 1 . . . . 98 N N . 16322 1 293 . 1 1 83 83 ILE H H 1 9.621 0.05 . 1 . . . . 99 I HN . 16322 1 294 . 1 1 83 83 ILE CA C 13 60.898 0.3 . 1 . . . . 99 I CA . 16322 1 295 . 1 1 83 83 ILE CB C 13 41.593 0.3 . 1 . . . . 99 I CB . 16322 1 296 . 1 1 83 83 ILE N N 15 123.841 0.3 . 1 . . . . 99 I N . 16322 1 297 . 1 1 84 84 GLN H H 1 8.693 0.05 . 1 . . . . 100 Q HN . 16322 1 298 . 1 1 84 84 GLN CA C 13 54.681 0.3 . 1 . . . . 100 Q CA . 16322 1 299 . 1 1 84 84 GLN CB C 13 28.733 0.3 . 1 . . . . 100 Q CB . 16322 1 300 . 1 1 84 84 GLN N N 15 126.279 0.3 . 1 . . . . 100 Q N . 16322 1 301 . 1 1 85 85 LEU H H 1 8.852 0.05 . 1 . . . . 101 L HN . 16322 1 302 . 1 1 85 85 LEU CA C 13 53.738 0.3 . 1 . . . . 101 L CA . 16322 1 303 . 1 1 85 85 LEU CB C 13 40.974 0.3 . 1 . . . . 101 L CB . 16322 1 304 . 1 1 85 85 LEU N N 15 126.245 0.3 . 1 . . . . 101 L N . 16322 1 305 . 1 1 86 86 HIS H H 1 8.465 0.05 . 1 . . . . 102 H HN . 16322 1 306 . 1 1 86 86 HIS CA C 13 55.198 0.3 . 1 . . . . 102 H CA . 16322 1 307 . 1 1 86 86 HIS CB C 13 31.628 0.3 . 1 . . . . 102 H CB . 16322 1 308 . 1 1 86 86 HIS N N 15 121.918 0.3 . 1 . . . . 102 H N . 16322 1 309 . 1 1 87 87 GLY H H 1 8.479 0.05 . 1 . . . . 103 G HN . 16322 1 310 . 1 1 87 87 GLY CA C 13 44.352 0.3 . 1 . . . . 103 G CA . 16322 1 311 . 1 1 87 87 GLY N N 15 109.714 0.3 . 1 . . . . 103 G N . 16322 1 312 . 1 1 89 89 PRO CA C 13 62.197 0.3 . 1 . . . . 105 P CA . 16322 1 313 . 1 1 89 89 PRO CB C 13 31.275 0.3 . 1 . . . . 105 P CB . 16322 1 314 . 1 1 90 90 ARG H H 1 7.89 0.05 . 1 . . . . 106 R HN . 16322 1 315 . 1 1 90 90 ARG CA C 13 53.343 0.3 . 1 . . . . 106 R CA . 16322 1 316 . 1 1 90 90 ARG CB C 13 30.797 0.3 . 1 . . . . 106 R CB . 16322 1 317 . 1 1 90 90 ARG N N 15 117.809 0.3 . 1 . . . . 106 R N . 16322 1 318 . 1 1 91 91 VAL H H 1 10.196 0.05 . 1 . . . . 107 V HN . 16322 1 319 . 1 1 91 91 VAL CA C 13 60.392 0.3 . 1 . . . . 107 V CA . 16322 1 320 . 1 1 91 91 VAL CB C 13 33.427 0.3 . 1 . . . . 107 V CB . 16322 1 321 . 1 1 91 91 VAL N N 15 129.095 0.3 . 1 . . . . 107 V N . 16322 1 322 . 1 1 92 92 LYS H H 1 8.87 0.05 . 1 . . . . 108 K HN . 16322 1 323 . 1 1 92 92 LYS CA C 13 53.68 0.3 . 1 . . . . 108 K CA . 16322 1 324 . 1 1 92 92 LYS CB C 13 35.501 0.3 . 1 . . . . 108 K CB . 16322 1 325 . 1 1 92 92 LYS N N 15 123.045 0.3 . 1 . . . . 108 K N . 16322 1 326 . 1 1 93 93 ALA H H 1 8.762 0.05 . 1 . . . . 109 A HN . 16322 1 327 . 1 1 93 93 ALA CA C 13 50.914 0.3 . 1 . . . . 109 A CA . 16322 1 328 . 1 1 93 93 ALA CB C 13 19.041 0.3 . 1 . . . . 109 A CB . 16322 1 329 . 1 1 93 93 ALA N N 15 125.58 0.3 . 1 . . . . 109 A N . 16322 1 330 . 1 1 94 94 VAL H H 1 8.616 0.05 . 1 . . . . 110 V HN . 16322 1 331 . 1 1 94 94 VAL CA C 13 65.891 0.3 . 1 . . . . 110 V CA . 16322 1 332 . 1 1 94 94 VAL CB C 13 30.952 0.3 . 1 . . . . 110 V CB . 16322 1 333 . 1 1 94 94 VAL N N 15 125.209 0.3 . 1 . . . . 110 V N . 16322 1 334 . 1 1 95 95 LYS H H 1 7.433 0.05 . 1 . . . . 111 K HN . 16322 1 335 . 1 1 95 95 LYS CA C 13 55.317 0.3 . 1 . . . . 111 K CA . 16322 1 336 . 1 1 95 95 LYS CB C 13 34.164 0.3 . 1 . . . . 111 K CB . 16322 1 337 . 1 1 95 95 LYS N N 15 117.024 0.3 . 1 . . . . 111 K N . 16322 1 338 . 1 1 96 96 SER H H 1 8.862 0.05 . 1 . . . . 112 S HN . 16322 1 339 . 1 1 96 96 SER CA C 13 60.231 0.3 . 1 . . . . 112 S CA . 16322 1 340 . 1 1 96 96 SER CB C 13 63.299 0.3 . 1 . . . . 112 S CB . 16322 1 341 . 1 1 96 96 SER N N 15 118.193 0.3 . 1 . . . . 112 S N . 16322 1 342 . 1 1 97 97 SER H H 1 7.686 0.05 . 1 . . . . 113 S HN . 16322 1 343 . 1 1 97 97 SER CA C 13 56.56 0.3 . 1 . . . . 113 S CA . 16322 1 344 . 1 1 97 97 SER CB C 13 64.28 0.3 . 1 . . . . 113 S CB . 16322 1 345 . 1 1 97 97 SER N N 15 116.312 0.3 . 1 . . . . 113 S N . 16322 1 346 . 1 1 98 98 GLU H H 1 8.729 0.05 . 1 . . . . 114 E HN . 16322 1 347 . 1 1 98 98 GLU CA C 13 54.17 0.3 . 1 . . . . 114 E CA . 16322 1 348 . 1 1 98 98 GLU CB C 13 33.417 0.3 . 1 . . . . 114 E CB . 16322 1 349 . 1 1 98 98 GLU N N 15 123.393 0.3 . 1 . . . . 114 E N . 16322 1 350 . 1 1 99 99 HIS H H 1 9.13 0.05 . 1 . . . . 115 H HN . 16322 1 351 . 1 1 99 99 HIS CA C 13 53.558 0.3 . 1 . . . . 115 H CA . 16322 1 352 . 1 1 99 99 HIS CB C 13 30.97 0.3 . 1 . . . . 115 H CB . 16322 1 353 . 1 1 99 99 HIS N N 15 126.954 0.3 . 1 . . . . 115 H N . 16322 1 354 . 1 1 100 100 ILE H H 1 8.195 0.05 . 1 . . . . 116 I HN . 16322 1 355 . 1 1 100 100 ILE CA C 13 58.308 0.3 . 1 . . . . 116 I CA . 16322 1 356 . 1 1 100 100 ILE CB C 13 40.326 0.3 . 1 . . . . 116 I CB . 16322 1 357 . 1 1 100 100 ILE N N 15 124.843 0.3 . 1 . . . . 116 I N . 16322 1 358 . 1 1 101 101 ASN H H 1 8.369 0.05 . 1 . . . . 117 N HN . 16322 1 359 . 1 1 101 101 ASN CA C 13 53.411 0.3 . 1 . . . . 117 N CA . 16322 1 360 . 1 1 101 101 ASN CB C 13 38.443 0.3 . 1 . . . . 117 N CB . 16322 1 361 . 1 1 101 101 ASN N N 15 124.712 0.3 . 1 . . . . 117 N N . 16322 1 362 . 1 1 102 102 GLU H H 1 8.566 0.05 . 1 . . . . 118 E HN . 16322 1 363 . 1 1 102 102 GLU CA C 13 56.681 0.3 . 1 . . . . 118 E CA . 16322 1 364 . 1 1 102 102 GLU CB C 13 29.289 0.3 . 1 . . . . 118 E CB . 16322 1 365 . 1 1 102 102 GLU N N 15 119.816 0.3 . 1 . . . . 118 E N . 16322 1 366 . 1 1 103 103 GLY H H 1 9.61 0.05 . 1 . . . . 119 G HN . 16322 1 367 . 1 1 103 103 GLY CA C 13 44.631 0.3 . 1 . . . . 119 G CA . 16322 1 368 . 1 1 103 103 GLY N N 15 113.714 0.3 . 1 . . . . 119 G N . 16322 1 369 . 1 1 104 104 GLU H H 1 7.52 0.05 . 1 . . . . 120 E HN . 16322 1 370 . 1 1 104 104 GLU CA C 13 55.28 0.3 . 1 . . . . 120 E CA . 16322 1 371 . 1 1 104 104 GLU CB C 13 29.238 0.3 . 1 . . . . 120 E CB . 16322 1 372 . 1 1 104 104 GLU N N 15 120.399 0.3 . 1 . . . . 120 E N . 16322 1 373 . 1 1 105 105 THR H H 1 8.171 0.05 . 1 . . . . 121 T HN . 16322 1 374 . 1 1 105 105 THR CA C 13 60.614 0.3 . 1 . . . . 121 T CA . 16322 1 375 . 1 1 105 105 THR CB C 13 69.945 0.3 . 1 . . . . 121 T CB . 16322 1 376 . 1 1 105 105 THR N N 15 114.221 0.3 . 1 . . . . 121 T N . 16322 1 377 . 1 1 106 106 ALA H H 1 8.786 0.05 . 1 . . . . 122 A HN . 16322 1 378 . 1 1 106 106 ALA CA C 13 49.913 0.3 . 1 . . . . 122 A CA . 16322 1 379 . 1 1 106 106 ALA CB C 13 21.248 0.3 . 1 . . . . 122 A CB . 16322 1 380 . 1 1 106 106 ALA N N 15 127.964 0.3 . 1 . . . . 122 A N . 16322 1 381 . 1 1 107 107 MET H H 1 8.498 0.05 . 1 . . . . 123 M HN . 16322 1 382 . 1 1 107 107 MET CA C 13 54.151 0.3 . 1 . . . . 123 M CA . 16322 1 383 . 1 1 107 107 MET CB C 13 33.442 0.3 . 1 . . . . 123 M CB . 16322 1 384 . 1 1 107 107 MET N N 15 120.946 0.3 . 1 . . . . 123 M N . 16322 1 385 . 1 1 108 108 LEU H H 1 9.065 0.05 . 1 . . . . 124 L HN . 16322 1 386 . 1 1 108 108 LEU CA C 13 53.457 0.3 . 1 . . . . 124 L CA . 16322 1 387 . 1 1 108 108 LEU CB C 13 40.576 0.3 . 1 . . . . 124 L CB . 16322 1 388 . 1 1 108 108 LEU N N 15 128.957 0.3 . 1 . . . . 124 L N . 16322 1 389 . 1 1 109 109 VAL H H 1 8.563 0.05 . 1 . . . . 125 V HN . 16322 1 390 . 1 1 109 109 VAL CA C 13 60.814 0.3 . 1 . . . . 125 V CA . 16322 1 391 . 1 1 109 109 VAL CB C 13 34.893 0.3 . 1 . . . . 125 V CB . 16322 1 392 . 1 1 109 109 VAL N N 15 120.534 0.3 . 1 . . . . 125 V N . 16322 1 393 . 1 1 110 110 CYS H H 1 8.968 0.05 . 1 . . . . 126 C HN . 16322 1 394 . 1 1 110 110 CYS CA C 13 53.447 0.3 . 1 . . . . 126 C CA . 16322 1 395 . 1 1 110 110 CYS CB C 13 47.301 0.3 . 1 . . . . 126 C CB . 16322 1 396 . 1 1 110 110 CYS N N 15 123.494 0.3 . 1 . . . . 126 C N . 16322 1 397 . 1 1 111 111 LYS H H 1 9.247 0.05 . 1 . . . . 127 K HN . 16322 1 398 . 1 1 111 111 LYS CA C 13 54.092 0.3 . 1 . . . . 127 K CA . 16322 1 399 . 1 1 111 111 LYS CB C 13 36.433 0.3 . 1 . . . . 127 K CB . 16322 1 400 . 1 1 111 111 LYS N N 15 117.21 0.3 . 1 . . . . 127 K N . 16322 1 401 . 1 1 112 112 SER H H 1 8.719 0.05 . 1 . . . . 128 S HN . 16322 1 402 . 1 1 112 112 SER CA C 13 57.166 0.3 . 1 . . . . 128 S CA . 16322 1 403 . 1 1 112 112 SER CB C 13 65.611 0.3 . 1 . . . . 128 S CB . 16322 1 404 . 1 1 112 112 SER N N 15 112.434 0.3 . 1 . . . . 128 S N . 16322 1 405 . 1 1 114 114 SER H H 1 8.198 0.05 . 1 . . . . 130 S HN . 16322 1 406 . 1 1 114 114 SER CA C 13 59.59 0.3 . 1 . . . . 130 S CA . 16322 1 407 . 1 1 114 114 SER CB C 13 63.928 0.3 . 1 . . . . 130 S CB . 16322 1 408 . 1 1 114 114 SER N N 15 116.782 0.3 . 1 . . . . 130 S N . 16322 1 409 . 1 1 115 115 VAL H H 1 8.155 0.05 . 1 . . . . 131 V HN . 16322 1 410 . 1 1 115 115 VAL CA C 13 59.347 0.3 . 1 . . . . 131 V CA . 16322 1 411 . 1 1 115 115 VAL CB C 13 34.151 0.3 . 1 . . . . 131 V CB . 16322 1 412 . 1 1 115 115 VAL N N 15 121.156 0.3 . 1 . . . . 131 V N . 16322 1 413 . 1 1 117 117 PRO CA C 13 61.843 0.3 . 1 . . . . 133 P CA . 16322 1 414 . 1 1 117 117 PRO CB C 13 31.656 0.3 . 1 . . . . 133 P CB . 16322 1 415 . 1 1 118 118 VAL H H 1 8.288 0.05 . 1 . . . . 134 V HN . 16322 1 416 . 1 1 118 118 VAL CA C 13 63.047 0.3 . 1 . . . . 134 V CA . 16322 1 417 . 1 1 118 118 VAL CB C 13 31.135 0.3 . 1 . . . . 134 V CB . 16322 1 418 . 1 1 118 118 VAL N N 15 120.345 0.3 . 1 . . . . 134 V N . 16322 1 419 . 1 1 119 119 THR H H 1 7.995 0.05 . 1 . . . . 135 T HN . 16322 1 420 . 1 1 119 119 THR CA C 13 61.031 0.3 . 1 . . . . 135 T CA . 16322 1 421 . 1 1 119 119 THR CB C 13 69.496 0.3 . 1 . . . . 135 T CB . 16322 1 422 . 1 1 119 119 THR N N 15 117.113 0.3 . 1 . . . . 135 T N . 16322 1 423 . 1 1 120 120 ASP H H 1 7.373 0.05 . 1 . . . . 136 D HN . 16322 1 424 . 1 1 120 120 ASP CA C 13 53.468 0.3 . 1 . . . . 136 D CA . 16322 1 425 . 1 1 120 120 ASP CB C 13 42.737 0.3 . 1 . . . . 136 D CB . 16322 1 426 . 1 1 120 120 ASP N N 15 123.883 0.3 . 1 . . . . 136 D N . 16322 1 427 . 1 1 121 121 TRP H H 1 8.766 0.05 . 1 . . . . 137 W HN . 16322 1 428 . 1 1 121 121 TRP HE1 H 1 10.091 0.05 . 1 . . . . 137 W HE1 . 16322 1 429 . 1 1 121 121 TRP CA C 13 55.269 0.3 . 1 . . . . 137 W CA . 16322 1 430 . 1 1 121 121 TRP CB C 13 33.325 0.3 . 1 . . . . 137 W CB . 16322 1 431 . 1 1 121 121 TRP N N 15 124.042 0.3 . 1 . . . . 137 W N . 16322 1 432 . 1 1 121 121 TRP NE1 N 15 128.655 0.3 . 1 . . . . 137 W NE1 . 16322 1 433 . 1 1 122 122 ALA H H 1 9.049 0.05 . 1 . . . . 138 A HN . 16322 1 434 . 1 1 122 122 ALA CA C 13 51.37 0.3 . 1 . . . . 138 A CA . 16322 1 435 . 1 1 122 122 ALA CB C 13 22.59 0.3 . 1 . . . . 138 A CB . 16322 1 436 . 1 1 122 122 ALA N N 15 125.143 0.3 . 1 . . . . 138 A N . 16322 1 437 . 1 1 123 123 TRP H H 1 8.752 0.05 . 1 . . . . 139 W HN . 16322 1 438 . 1 1 123 123 TRP CA C 13 56.055 0.3 . 1 . . . . 139 W CA . 16322 1 439 . 1 1 123 123 TRP CB C 13 32.834 0.3 . 1 . . . . 139 W CB . 16322 1 440 . 1 1 123 123 TRP N N 15 120.54 0.3 . 1 . . . . 139 W N . 16322 1 441 . 1 1 124 124 TYR H H 1 9.422 0.05 . 1 . . . . 140 Y HN . 16322 1 442 . 1 1 124 124 TYR CA C 13 55.655 0.3 . 1 . . . . 140 Y CA . 16322 1 443 . 1 1 124 124 TYR CB C 13 42.693 0.3 . 1 . . . . 140 Y CB . 16322 1 444 . 1 1 124 124 TYR N N 15 117.353 0.3 . 1 . . . . 140 Y N . 16322 1 445 . 1 1 125 125 LYS H H 1 9.327 0.05 . 1 . . . . 141 K HN . 16322 1 446 . 1 1 125 125 LYS CA C 13 54.421 0.3 . 1 . . . . 141 K CA . 16322 1 447 . 1 1 125 125 LYS CB C 13 34.626 0.3 . 1 . . . . 141 K CB . 16322 1 448 . 1 1 125 125 LYS N N 15 122.849 0.3 . 1 . . . . 141 K N . 16322 1 449 . 1 1 126 126 ILE H H 1 8.434 0.05 . 1 . . . . 142 I HN . 16322 1 450 . 1 1 126 126 ILE CA C 13 60.996 0.3 . 1 . . . . 142 I CA . 16322 1 451 . 1 1 126 126 ILE CB C 13 36.241 0.3 . 1 . . . . 142 I CB . 16322 1 452 . 1 1 126 126 ILE N N 15 128.73 0.3 . 1 . . . . 142 I N . 16322 1 453 . 1 1 127 127 THR H H 1 8.604 0.05 . 1 . . . . 143 T HN . 16322 1 454 . 1 1 127 127 THR CA C 13 59.702 0.3 . 1 . . . . 143 T CA . 16322 1 455 . 1 1 127 127 THR CB C 13 70.896 0.3 . 1 . . . . 143 T CB . 16322 1 456 . 1 1 127 127 THR N N 15 120.54 0.3 . 1 . . . . 143 T N . 16322 1 457 . 1 1 128 128 ASP H H 1 8.594 0.05 . 1 . . . . 144 D HN . 16322 1 458 . 1 1 128 128 ASP CA C 13 55.826 0.3 . 1 . . . . 144 D CA . 16322 1 459 . 1 1 128 128 ASP CB C 13 39.872 0.3 . 1 . . . . 144 D CB . 16322 1 460 . 1 1 128 128 ASP N N 15 118.628 0.3 . 1 . . . . 144 D N . 16322 1 461 . 1 1 129 129 SER H H 1 8.256 0.05 . 1 . . . . 145 S HN . 16322 1 462 . 1 1 129 129 SER CA C 13 57.819 0.3 . 1 . . . . 145 S CA . 16322 1 463 . 1 1 129 129 SER CB C 13 63.397 0.3 . 1 . . . . 145 S CB . 16322 1 464 . 1 1 129 129 SER N N 15 112.756 0.3 . 1 . . . . 145 S N . 16322 1 465 . 1 1 130 130 GLU H H 1 7.712 0.05 . 1 . . . . 146 E HN . 16322 1 466 . 1 1 130 130 GLU CA C 13 55.387 0.3 . 1 . . . . 146 E CA . 16322 1 467 . 1 1 130 130 GLU CB C 13 30.871 0.3 . 1 . . . . 146 E CB . 16322 1 468 . 1 1 130 130 GLU N N 15 120.863 0.3 . 1 . . . . 146 E N . 16322 1 469 . 1 1 131 131 ASP H H 1 8.749 0.05 . 1 . . . . 147 D HN . 16322 1 470 . 1 1 131 131 ASP CA C 13 53.708 0.3 . 1 . . . . 147 D CA . 16322 1 471 . 1 1 131 131 ASP CB C 13 39.852 0.3 . 1 . . . . 147 D CB . 16322 1 472 . 1 1 131 131 ASP N N 15 125.784 0.3 . 1 . . . . 147 D N . 16322 1 473 . 1 1 132 132 LYS H H 1 9.049 0.05 . 1 . . . . 148 K HN . 16322 1 474 . 1 1 132 132 LYS CA C 13 54.835 0.3 . 1 . . . . 148 K CA . 16322 1 475 . 1 1 132 132 LYS CB C 13 33.474 0.3 . 1 . . . . 148 K CB . 16322 1 476 . 1 1 132 132 LYS N N 15 125.144 0.3 . 1 . . . . 148 K N . 16322 1 477 . 1 1 133 133 ALA H H 1 8.883 0.05 . 1 . . . . 149 A HN . 16322 1 478 . 1 1 133 133 ALA CA C 13 52.62 0.3 . 1 . . . . 149 A CA . 16322 1 479 . 1 1 133 133 ALA CB C 13 18.045 0.3 . 1 . . . . 149 A CB . 16322 1 480 . 1 1 133 133 ALA N N 15 130.252 0.3 . 1 . . . . 149 A N . 16322 1 481 . 1 1 134 134 LEU H H 1 8.041 0.05 . 1 . . . . 150 L HN . 16322 1 482 . 1 1 134 134 LEU CB C 13 40.256 0.3 . 1 . . . . 150 L CB . 16322 1 483 . 1 1 134 134 LEU N N 15 124.795 0.3 . 1 . . . . 150 L N . 16322 1 484 . 1 1 145 145 SER H H 1 9.02 0.05 . 1 . . . . 161 S HN . 16322 1 485 . 1 1 145 145 SER CA C 13 56.058 0.3 . 1 . . . . 161 S CA . 16322 1 486 . 1 1 145 145 SER CB C 13 63.874 0.3 . 1 . . . . 161 S CB . 16322 1 487 . 1 1 145 145 SER N N 15 122.691 0.3 . 1 . . . . 161 S N . 16322 1 488 . 1 1 146 146 SER H H 1 9.113 0.05 . 1 . . . . 162 S HN . 16322 1 489 . 1 1 146 146 SER CA C 13 56.81 0.3 . 1 . . . . 162 S CA . 16322 1 490 . 1 1 146 146 SER CB C 13 65.184 0.3 . 1 . . . . 162 S CB . 16322 1 491 . 1 1 146 146 SER N N 15 124.128 0.3 . 1 . . . . 162 S N . 16322 1 492 . 1 1 147 147 SER H H 1 9.2 0.05 . 1 . . . . 163 S HN . 16322 1 493 . 1 1 147 147 SER CA C 13 56.954 0.3 . 1 . . . . 163 S CA . 16322 1 494 . 1 1 147 147 SER CB C 13 64.638 0.3 . 1 . . . . 163 S CB . 16322 1 495 . 1 1 147 147 SER N N 15 119.33 0.3 . 1 . . . . 163 S N . 16322 1 496 . 1 1 148 148 GLN H H 1 8.836 0.05 . 1 . . . . 164 Q HN . 16322 1 497 . 1 1 148 148 GLN CA C 13 57.876 0.3 . 1 . . . . 164 Q CA . 16322 1 498 . 1 1 148 148 GLN CB C 13 27.31 0.3 . 1 . . . . 164 Q CB . 16322 1 499 . 1 1 148 148 GLN N N 15 120.488 0.3 . 1 . . . . 164 Q N . 16322 1 500 . 1 1 149 149 GLY H H 1 9.189 0.05 . 1 . . . . 165 G HN . 16322 1 501 . 1 1 149 149 GLY CA C 13 46.481 0.3 . 1 . . . . 165 G CA . 16322 1 502 . 1 1 149 149 GLY N N 15 111.754 0.3 . 1 . . . . 165 G N . 16322 1 503 . 1 1 150 150 ARG H H 1 7.959 0.05 . 1 . . . . 166 R HN . 16322 1 504 . 1 1 150 150 ARG CA C 13 55.214 0.3 . 1 . . . . 166 R CA . 16322 1 505 . 1 1 150 150 ARG CB C 13 32.714 0.3 . 1 . . . . 166 R CB . 16322 1 506 . 1 1 150 150 ARG N N 15 122.278 0.3 . 1 . . . . 166 R N . 16322 1 507 . 1 1 151 151 SER H H 1 8.123 0.05 . 1 . . . . 167 S HN . 16322 1 508 . 1 1 151 151 SER CA C 13 56.652 0.3 . 1 . . . . 167 S CA . 16322 1 509 . 1 1 151 151 SER CB C 13 62.483 0.3 . 1 . . . . 167 S CB . 16322 1 510 . 1 1 151 151 SER N N 15 117.015 0.3 . 1 . . . . 167 S N . 16322 1 511 . 1 1 152 152 GLU H H 1 8.593 0.05 . 1 . . . . 168 E HN . 16322 1 512 . 1 1 152 152 GLU CA C 13 52.457 0.3 . 1 . . . . 168 E CA . 16322 1 513 . 1 1 152 152 GLU CB C 13 32.283 0.3 . 1 . . . . 168 E CB . 16322 1 514 . 1 1 152 152 GLU N N 15 125.812 0.3 . 1 . . . . 168 E N . 16322 1 515 . 1 1 153 153 LEU H H 1 8.798 0.05 . 1 . . . . 169 L HN . 16322 1 516 . 1 1 153 153 LEU CA C 13 52.595 0.3 . 1 . . . . 169 L CA . 16322 1 517 . 1 1 153 153 LEU CB C 13 39.954 0.3 . 1 . . . . 169 L CB . 16322 1 518 . 1 1 153 153 LEU N N 15 125.853 0.3 . 1 . . . . 169 L N . 16322 1 519 . 1 1 154 154 HIS H H 1 9.534 0.05 . 1 . . . . 170 H HN . 16322 1 520 . 1 1 154 154 HIS CA C 13 52.6 0.3 . 1 . . . . 170 H CA . 16322 1 521 . 1 1 154 154 HIS CB C 13 30.393 0.3 . 1 . . . . 170 H CB . 16322 1 522 . 1 1 154 154 HIS N N 15 126.27 0.3 . 1 . . . . 170 H N . 16322 1 523 . 1 1 155 155 ILE H H 1 8.558 0.05 . 1 . . . . 171 I HN . 16322 1 524 . 1 1 155 155 ILE CA C 13 59.824 0.3 . 1 . . . . 171 I CA . 16322 1 525 . 1 1 155 155 ILE CB C 13 39.208 0.3 . 1 . . . . 171 I CB . 16322 1 526 . 1 1 155 155 ILE N N 15 122.079 0.3 . 1 . . . . 171 I N . 16322 1 527 . 1 1 156 156 GLU H H 1 8.665 0.05 . 1 . . . . 172 E HN . 16322 1 528 . 1 1 156 156 GLU CA C 13 55.204 0.3 . 1 . . . . 172 E CA . 16322 1 529 . 1 1 156 156 GLU CB C 13 30.505 0.3 . 1 . . . . 172 E CB . 16322 1 530 . 1 1 156 156 GLU N N 15 124.221 0.3 . 1 . . . . 172 E N . 16322 1 531 . 1 1 157 157 ASN H H 1 8.185 0.05 . 1 . . . . 173 N HN . 16322 1 532 . 1 1 157 157 ASN CA C 13 52.417 0.3 . 1 . . . . 173 N CA . 16322 1 533 . 1 1 157 157 ASN CB C 13 36.599 0.3 . 1 . . . . 173 N CB . 16322 1 534 . 1 1 157 157 ASN N N 15 117.139 0.3 . 1 . . . . 173 N N . 16322 1 535 . 1 1 158 158 LEU H H 1 8.113 0.05 . 1 . . . . 174 L HN . 16322 1 536 . 1 1 158 158 LEU CA C 13 55.549 0.3 . 1 . . . . 174 L CA . 16322 1 537 . 1 1 158 158 LEU CB C 13 42.753 0.3 . 1 . . . . 174 L CB . 16322 1 538 . 1 1 158 158 LEU N N 15 117.154 0.3 . 1 . . . . 174 L N . 16322 1 539 . 1 1 159 159 ASN H H 1 10.245 0.05 . 1 . . . . 175 N HN . 16322 1 540 . 1 1 159 159 ASN CA C 13 51.424 0.3 . 1 . . . . 175 N CA . 16322 1 541 . 1 1 159 159 ASN CB C 13 41.503 0.3 . 1 . . . . 175 N CB . 16322 1 542 . 1 1 159 159 ASN N N 15 124.607 0.3 . 1 . . . . 175 N N . 16322 1 543 . 1 1 160 160 MET H H 1 9.059 0.05 . 1 . . . . 176 M HN . 16322 1 544 . 1 1 160 160 MET CA C 13 56.611 0.3 . 1 . . . . 176 M CA . 16322 1 545 . 1 1 160 160 MET CB C 13 32.25 0.3 . 1 . . . . 176 M CB . 16322 1 546 . 1 1 160 160 MET N N 15 120.302 0.3 . 1 . . . . 176 M N . 16322 1 547 . 1 1 161 161 GLU H H 1 8.114 0.05 . 1 . . . . 177 E HN . 16322 1 548 . 1 1 161 161 GLU CA C 13 57.654 0.3 . 1 . . . . 177 E CA . 16322 1 549 . 1 1 161 161 GLU CB C 13 29.645 0.3 . 1 . . . . 177 E CB . 16322 1 550 . 1 1 161 161 GLU N N 15 117.087 0.3 . 1 . . . . 177 E N . 16322 1 551 . 1 1 162 162 ALA H H 1 8.27 0.05 . 1 . . . . 178 A HN . 16322 1 552 . 1 1 162 162 ALA CA C 13 53.302 0.3 . 1 . . . . 178 A CA . 16322 1 553 . 1 1 162 162 ALA CB C 13 20.018 0.3 . 1 . . . . 178 A CB . 16322 1 554 . 1 1 162 162 ALA N N 15 120.197 0.3 . 1 . . . . 178 A N . 16322 1 555 . 1 1 163 163 ASP H H 1 7.552 0.05 . 1 . . . . 179 D HN . 16322 1 556 . 1 1 163 163 ASP CA C 13 57.006 0.3 . 1 . . . . 179 D CA . 16322 1 557 . 1 1 163 163 ASP CB C 13 40.06 0.3 . 1 . . . . 179 D CB . 16322 1 558 . 1 1 163 163 ASP N N 15 116.672 0.3 . 1 . . . . 179 D N . 16322 1 559 . 1 1 164 164 PRO CA C 13 65.14 0.3 . 1 . . . . 180 P CA . 16322 1 560 . 1 1 164 164 PRO CB C 13 30.484 0.3 . 1 . . . . 180 P CB . 16322 1 561 . 1 1 165 165 GLY H H 1 8.883 0.05 . 1 . . . . 181 G HN . 16322 1 562 . 1 1 165 165 GLY CA C 13 43.86 0.3 . 1 . . . . 181 G CA . 16322 1 563 . 1 1 165 165 GLY N N 15 109.675 0.3 . 1 . . . . 181 G N . 16322 1 564 . 1 1 166 166 GLN H H 1 8.79 0.05 . 1 . . . . 182 Q HN . 16322 1 565 . 1 1 166 166 GLN CA C 13 54.845 0.3 . 1 . . . . 182 Q CA . 16322 1 566 . 1 1 166 166 GLN CB C 13 31.204 0.3 . 1 . . . . 182 Q CB . 16322 1 567 . 1 1 166 166 GLN N N 15 119.67 0.3 . 1 . . . . 182 Q N . 16322 1 568 . 1 1 167 167 TYR H H 1 9.61 0.05 . 1 . . . . 183 Y HN . 16322 1 569 . 1 1 167 167 TYR CA C 13 56.587 0.3 . 1 . . . . 183 Y CA . 16322 1 570 . 1 1 167 167 TYR CB C 13 41.381 0.3 . 1 . . . . 183 Y CB . 16322 1 571 . 1 1 167 167 TYR N N 15 122.332 0.3 . 1 . . . . 183 Y N . 16322 1 572 . 1 1 168 168 ARG H H 1 9.682 0.05 . 1 . . . . 184 R HN . 16322 1 573 . 1 1 168 168 ARG CA C 13 52.971 0.3 . 1 . . . . 184 R CA . 16322 1 574 . 1 1 168 168 ARG CB C 13 35.076 0.3 . 1 . . . . 184 R CB . 16322 1 575 . 1 1 168 168 ARG N N 15 122.751 0.3 . 1 . . . . 184 R N . 16322 1 576 . 1 1 169 169 CYS H H 1 8.831 0.05 . 1 . . . . 185 C HN . 16322 1 577 . 1 1 169 169 CYS CA C 13 52.071 0.3 . 1 . . . . 185 C CA . 16322 1 578 . 1 1 169 169 CYS CB C 13 42.171 0.3 . 1 . . . . 185 C CB . 16322 1 579 . 1 1 169 169 CYS N N 15 121.638 0.3 . 1 . . . . 185 C N . 16322 1 580 . 1 1 170 170 ASN H H 1 9.447 0.05 . 1 . . . . 186 N HN . 16322 1 581 . 1 1 170 170 ASN CA C 13 52.089 0.3 . 1 . . . . 186 N CA . 16322 1 582 . 1 1 170 170 ASN CB C 13 41.539 0.3 . 1 . . . . 186 N CB . 16322 1 583 . 1 1 170 170 ASN N N 15 122.493 0.3 . 1 . . . . 186 N N . 16322 1 584 . 1 1 171 171 GLY H H 1 8.877 0.05 . 1 . . . . 187 G HN . 16322 1 585 . 1 1 171 171 GLY CA C 13 44.449 0.3 . 1 . . . . 187 G CA . 16322 1 586 . 1 1 171 171 GLY N N 15 112.807 0.3 . 1 . . . . 187 G N . 16322 1 587 . 1 1 172 172 THR H H 1 8.448 0.05 . 1 . . . . 188 T HN . 16322 1 588 . 1 1 172 172 THR CA C 13 61.298 0.3 . 1 . . . . 188 T CA . 16322 1 589 . 1 1 172 172 THR CB C 13 70.925 0.3 . 1 . . . . 188 T CB . 16322 1 590 . 1 1 172 172 THR N N 15 120.801 0.3 . 1 . . . . 188 T N . 16322 1 591 . 1 1 173 173 SER H H 1 9.439 0.05 . 1 . . . . 189 S HN . 16322 1 592 . 1 1 173 173 SER CA C 13 54.807 0.3 . 1 . . . . 189 S CA . 16322 1 593 . 1 1 173 173 SER CB C 13 69.062 0.3 . 1 . . . . 189 S CB . 16322 1 594 . 1 1 173 173 SER N N 15 123.841 0.3 . 1 . . . . 189 S N . 16322 1 595 . 1 1 174 174 SER H H 1 8.86 0.05 . 1 . . . . 190 S HN . 16322 1 596 . 1 1 174 174 SER CA C 13 59.853 0.3 . 1 . . . . 190 S CA . 16322 1 597 . 1 1 174 174 SER CB C 13 62.024 0.3 . 1 . . . . 190 S CB . 16322 1 598 . 1 1 174 174 SER N N 15 114.387 0.3 . 1 . . . . 190 S N . 16322 1 599 . 1 1 175 175 LYS H H 1 8.023 0.05 . 1 . . . . 191 K HN . 16322 1 600 . 1 1 175 175 LYS CA C 13 53.877 0.3 . 1 . . . . 191 K CA . 16322 1 601 . 1 1 175 175 LYS CB C 13 33.085 0.3 . 1 . . . . 191 K CB . 16322 1 602 . 1 1 175 175 LYS N N 15 118.402 0.3 . 1 . . . . 191 K N . 16322 1 603 . 1 1 176 176 GLY H H 1 7.358 0.05 . 1 . . . . 192 G HN . 16322 1 604 . 1 1 176 176 GLY CA C 13 44.675 0.3 . 1 . . . . 192 G CA . 16322 1 605 . 1 1 176 176 GLY N N 15 107.423 0.3 . 1 . . . . 192 G N . 16322 1 606 . 1 1 177 177 SER H H 1 8.466 0.05 . 1 . . . . 193 S HN . 16322 1 607 . 1 1 177 177 SER CA C 13 56.482 0.3 . 1 . . . . 193 S CA . 16322 1 608 . 1 1 177 177 SER CB C 13 66.42 0.3 . 1 . . . . 193 S CB . 16322 1 609 . 1 1 177 177 SER N N 15 113.848 0.3 . 1 . . . . 193 S N . 16322 1 610 . 1 1 178 178 ASP H H 1 8.73 0.05 . 1 . . . . 194 D HN . 16322 1 611 . 1 1 178 178 ASP CA C 13 53.151 0.3 . 1 . . . . 194 D CA . 16322 1 612 . 1 1 178 178 ASP CB C 13 44.459 0.3 . 1 . . . . 194 D CB . 16322 1 613 . 1 1 178 178 ASP N N 15 119.674 0.3 . 1 . . . . 194 D N . 16322 1 614 . 1 1 179 179 GLN H H 1 7.932 0.05 . 1 . . . . 195 Q HN . 16322 1 615 . 1 1 179 179 GLN CA C 13 52.896 0.3 . 1 . . . . 195 Q CA . 16322 1 616 . 1 1 179 179 GLN CB C 13 31.836 0.3 . 1 . . . . 195 Q CB . 16322 1 617 . 1 1 179 179 GLN N N 15 115.874 0.3 . 1 . . . . 195 Q N . 16322 1 618 . 1 1 180 180 ALA H H 1 8.226 0.05 . 1 . . . . 196 A HN . 16322 1 619 . 1 1 180 180 ALA CA C 13 50.834 0.3 . 1 . . . . 196 A CA . 16322 1 620 . 1 1 180 180 ALA CB C 13 22.345 0.3 . 1 . . . . 196 A CB . 16322 1 621 . 1 1 180 180 ALA N N 15 120.355 0.3 . 1 . . . . 196 A N . 16322 1 622 . 1 1 181 181 ILE H H 1 7.939 0.05 . 1 . . . . 197 I HN . 16322 1 623 . 1 1 181 181 ILE CA C 13 59.323 0.3 . 1 . . . . 197 I CA . 16322 1 624 . 1 1 181 181 ILE CB C 13 39.208 0.3 . 1 . . . . 197 I CB . 16322 1 625 . 1 1 181 181 ILE N N 15 117.773 0.3 . 1 . . . . 197 I N . 16322 1 626 . 1 1 182 182 ILE H H 1 9.686 0.05 . 1 . . . . 198 I HN . 16322 1 627 . 1 1 182 182 ILE CA C 13 59.66 0.3 . 1 . . . . 198 I CA . 16322 1 628 . 1 1 182 182 ILE CB C 13 42.227 0.3 . 1 . . . . 198 I CB . 16322 1 629 . 1 1 182 182 ILE N N 15 129.591 0.3 . 1 . . . . 198 I N . 16322 1 630 . 1 1 183 183 THR H H 1 8.738 0.05 . 1 . . . . 199 T HN . 16322 1 631 . 1 1 183 183 THR CA C 13 62.224 0.3 . 1 . . . . 199 T CA . 16322 1 632 . 1 1 183 183 THR CB C 13 69.462 0.3 . 1 . . . . 199 T CB . 16322 1 633 . 1 1 183 183 THR N N 15 123.36 0.3 . 1 . . . . 199 T N . 16322 1 634 . 1 1 184 184 LEU H H 1 9.572 0.05 . 1 . . . . 200 L HN . 16322 1 635 . 1 1 184 184 LEU CA C 13 53.282 0.3 . 1 . . . . 200 L CA . 16322 1 636 . 1 1 184 184 LEU CB C 13 44.493 0.3 . 1 . . . . 200 L CB . 16322 1 637 . 1 1 184 184 LEU N N 15 129.23 0.3 . 1 . . . . 200 L N . 16322 1 638 . 1 1 185 185 ARG H H 1 8.894 0.05 . 1 . . . . 201 R HN . 16322 1 639 . 1 1 185 185 ARG CA C 13 54.185 0.3 . 1 . . . . 201 R CA . 16322 1 640 . 1 1 185 185 ARG CB C 13 31.831 0.3 . 1 . . . . 201 R CB . 16322 1 641 . 1 1 185 185 ARG N N 15 128.059 0.3 . 1 . . . . 201 R N . 16322 1 642 . 1 1 186 186 VAL H H 1 8.242 0.05 . 1 . . . . 202 V HN . 16322 1 643 . 1 1 186 186 VAL CA C 13 59.727 0.3 . 1 . . . . 202 V CA . 16322 1 644 . 1 1 186 186 VAL CB C 13 33.07 0.3 . 1 . . . . 202 V CB . 16322 1 645 . 1 1 186 186 VAL N N 15 121.93 0.3 . 1 . . . . 202 V N . 16322 1 646 . 1 1 187 187 ARG H H 1 8.59 0.05 . 1 . . . . 203 R HN . 16322 1 647 . 1 1 187 187 ARG CA C 13 54.305 0.3 . 1 . . . . 203 R CA . 16322 1 648 . 1 1 187 187 ARG CB C 13 30.939 0.3 . 1 . . . . 203 R CB . 16322 1 649 . 1 1 187 187 ARG N N 15 128.461 0.3 . 1 . . . . 203 R N . 16322 1 650 . 1 1 188 188 SER H H 1 8.693 0.05 . 1 . . . . 204 S HN . 16322 1 651 . 1 1 188 188 SER CA C 13 57.905 0.3 . 1 . . . . 204 S CA . 16322 1 652 . 1 1 188 188 SER CB C 13 63.549 0.3 . 1 . . . . 204 S CB . 16322 1 653 . 1 1 188 188 SER N N 15 120.345 0.3 . 1 . . . . 204 S N . 16322 1 654 . 1 1 189 189 HIS CA C 13 57.069 0.3 . 1 . . . . 205 H CA . 16322 1 655 . 1 1 189 189 HIS CB C 13 28.779 0.3 . 1 . . . . 205 H CB . 16322 1 656 . 1 1 190 190 LEU H H 1 8.065 0.05 . 1 . . . . 206 L HN . 16322 1 657 . 1 1 190 190 LEU CA C 13 54.979 0.3 . 1 . . . . 206 L CA . 16322 1 658 . 1 1 190 190 LEU CB C 13 40.939 0.3 . 1 . . . . 206 L CB . 16322 1 659 . 1 1 190 190 LEU N N 15 121.434 0.3 . 1 . . . . 206 L N . 16322 1 660 . 1 1 191 191 ALA H H 1 7.876 0.05 . 1 . . . . 207 A HN . 16322 1 661 . 1 1 191 191 ALA CA C 13 52.36 0.3 . 1 . . . . 207 A CA . 16322 1 662 . 1 1 191 191 ALA CB C 13 18.136 0.3 . 1 . . . . 207 A CB . 16322 1 663 . 1 1 191 191 ALA N N 15 123.645 0.3 . 1 . . . . 207 A N . 16322 1 664 . 1 1 192 192 ALA H H 1 7.883 0.05 . 1 . . . . 208 A HN . 16322 1 665 . 1 1 192 192 ALA CA C 13 52.302 0.3 . 1 . . . . 208 A CA . 16322 1 666 . 1 1 192 192 ALA CB C 13 18.208 0.3 . 1 . . . . 208 A CB . 16322 1 667 . 1 1 192 192 ALA N N 15 121.415 0.3 . 1 . . . . 208 A N . 16322 1 668 . 1 1 193 193 LEU H H 1 7.931 0.05 . 1 . . . . 209 L HN . 16322 1 669 . 1 1 193 193 LEU CA C 13 53.849 0.3 . 1 . . . . 209 L CA . 16322 1 670 . 1 1 193 193 LEU CB C 13 41.904 0.3 . 1 . . . . 209 L CB . 16322 1 671 . 1 1 193 193 LEU N N 15 119.988 0.3 . 1 . . . . 209 L N . 16322 1 672 . 1 1 194 194 TRP H H 1 7.883 0.05 . 1 . . . . 210 W HN . 16322 1 673 . 1 1 194 194 TRP HE1 H 1 10.131 0.05 . 1 . . . . 210 W HE1 . 16322 1 674 . 1 1 194 194 TRP CA C 13 54.556 0.3 . 1 . . . . 210 W CA . 16322 1 675 . 1 1 194 194 TRP CB C 13 28.899 0.3 . 1 . . . . 210 W CB . 16322 1 676 . 1 1 194 194 TRP N N 15 121.757 0.3 . 1 . . . . 210 W N . 16322 1 677 . 1 1 194 194 TRP NE1 N 15 129.233 0.3 . 1 . . . . 210 W NE1 . 16322 1 678 . 1 1 195 195 PRO CA C 13 63.006 0.3 . 1 . . . . 211 P CA . 16322 1 679 . 1 1 195 195 PRO CB C 13 30.99 0.3 . 1 . . . . 211 P CB . 16322 1 680 . 1 1 196 196 PHE H H 1 7.988 0.05 . 1 . . . . 212 F HN . 16322 1 681 . 1 1 196 196 PHE CA C 13 57.215 0.3 . 1 . . . . 212 F CA . 16322 1 682 . 1 1 196 196 PHE CB C 13 38.66 0.3 . 1 . . . . 212 F CB . 16322 1 683 . 1 1 196 196 PHE N N 15 119.502 0.3 . 1 . . . . 212 F N . 16322 1 684 . 1 1 197 197 LEU H H 1 8.128 0.05 . 1 . . . . 213 L HN . 16322 1 685 . 1 1 197 197 LEU CA C 13 54.494 0.3 . 1 . . . . 213 L CA . 16322 1 686 . 1 1 197 197 LEU CB C 13 41.47 0.3 . 1 . . . . 213 L CB . 16322 1 687 . 1 1 197 197 LEU N N 15 125.338 0.3 . 1 . . . . 213 L N . 16322 1 688 . 1 1 198 198 GLY H H 1 7.179 0.05 . 1 . . . . 214 G HN . 16322 1 689 . 1 1 198 198 GLY CA C 13 45.707 0.3 . 1 . . . . 214 G CA . 16322 1 690 . 1 1 198 198 GLY N N 15 114.827 0.3 . 1 . . . . 214 G N . 16322 1 691 . 2 1 191 191 ALA H H 1 7.922 0.05 . 1 . . . . 207 A HN . 16322 1 692 . 2 1 191 191 ALA CA C 13 52.338 0.3 . 1 . . . . 207 A CA . 16322 1 693 . 2 1 191 191 ALA CB C 13 18.272 0.3 . 1 . . . . 207 A CB . 16322 1 694 . 2 1 191 191 ALA N N 15 123.65 0.3 . 1 . . . . 207 A N . 16322 1 695 . 2 1 192 192 ALA H H 1 8.001 0.05 . 1 . . . . 208 A HN . 16322 1 696 . 2 1 192 192 ALA CA C 13 52.3 0.3 . 1 . . . . 208 A CA . 16322 1 697 . 2 1 192 192 ALA CB C 13 18.381 0.3 . 1 . . . . 208 A CB . 16322 1 698 . 2 1 192 192 ALA N N 15 122.026 0.3 . 1 . . . . 208 A N . 16322 1 699 . 2 1 193 193 LEU H H 1 7.775 0.05 . 1 . . . . 209 L HN . 16322 1 700 . 2 1 193 193 LEU CA C 13 54.746 0.3 . 1 . . . . 209 L CA . 16322 1 701 . 2 1 193 193 LEU CB C 13 41.326 0.3 . 1 . . . . 209 L CB . 16322 1 702 . 2 1 193 193 LEU N N 15 119.512 0.3 . 1 . . . . 209 L N . 16322 1 703 . 2 1 194 194 TRP H H 1 7.991 0.05 . 1 . . . . 210 W HN . 16322 1 704 . 2 1 194 194 TRP HE1 H 1 10.21 0.05 . 1 . . . . 210 W HE1 . 16322 1 705 . 2 1 194 194 TRP CA C 13 55.763 0.3 . 1 . . . . 210 W CA . 16322 1 706 . 2 1 194 194 TRP CB C 13 29.944 0.3 . 1 . . . . 210 W CB . 16322 1 707 . 2 1 194 194 TRP N N 15 123.049 0.3 . 1 . . . . 210 W N . 16322 1 708 . 2 1 194 194 TRP NE1 N 15 130.371 0.3 . 1 . . . . 210 W NE1 . 16322 1 709 . 2 1 195 195 PRO CB C 13 32.031 0.3 . 1 . . . . 211 P CB . 16322 1 710 . 2 1 196 196 PHE H H 1 8.354 0.05 . 1 . . . . 212 F HN . 16322 1 711 . 2 1 196 196 PHE CA C 13 57.709 0.3 . 1 . . . . 212 F CA . 16322 1 712 . 2 1 196 196 PHE CB C 13 37.812 0.3 . 1 . . . . 212 F CB . 16322 1 713 . 2 1 196 196 PHE N N 15 123.123 0.3 . 1 . . . . 212 F N . 16322 1 714 . 2 1 197 197 LEU H H 1 8.072 0.05 . 1 . . . . 213 L HN . 16322 1 715 . 2 1 197 197 LEU CA C 13 54.226 0.3 . 1 . . . . 213 L CA . 16322 1 716 . 2 1 197 197 LEU CB C 13 41.536 0.3 . 1 . . . . 213 L CB . 16322 1 717 . 2 1 197 197 LEU N N 15 124.068 0.3 . 1 . . . . 213 L N . 16322 1 718 . 2 1 198 198 GLY H H 1 7.277 0.05 . 1 . . . . 214 G HN . 16322 1 719 . 2 1 198 198 GLY CA C 13 45.605 0.3 . 1 . . . . 214 G CA . 16322 1 720 . 2 1 198 198 GLY N N 15 114.876 0.3 . 1 . . . . 214 G N . 16322 1 stop_ save_