data_2208 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 2208 _Entry.Title ; 1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _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 Placido Neri . . . 2208 2 Robert Meadows . P. . 2208 3 G. Gemmecker . . . 2208 4 E. Olejniczak . T. . 2208 5 David Nettesheim . G. . 2208 6 Timothy Logan . . . 2208 7 R. Simmer . . . 2208 8 R. Helfrich . . . 2208 9 Thomas Holzman . F. . 2208 10 Jean Severin . . . 2208 11 Stephen Fesik . W. . 2208 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 2208 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 318 2208 '15N chemical shifts' 156 2208 '1H chemical shifts' 323 2208 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 5 . . 2010-06-15 . revision BMRB 'Complete natural source information' 2208 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 2208 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 2208 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 2208 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 2208 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 2208 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Neri, Placido, Meadows, Robert P., Gemmecker, G., Olejniczak, E.T., Nettesheim, David G., Logan, Timothy, Simmer, R., Helfrich, R., Holzman, Thomas F., Severin, Jean, Fesik, Stephen W., "1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site," FEBS Lett. 294 (1-2), 81-88 (1991). ; _Citation.Title ; 1H, 13C and 15N backbone assignments of cyclophilin when bound to cyclosporin A (CsA) and preliminary structural characterization of the CsA binding site ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 294 _Citation.Journal_issue 1-2 _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 81 _Citation.Page_last 88 _Citation.Year 1991 _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 Placido Neri . . . 2208 1 2 Robert Meadows . P. . 2208 1 3 G. Gemmecker . . . 2208 1 4 E. Olejniczak . T. . 2208 1 5 David Nettesheim . G. . 2208 1 6 Timothy Logan . . . 2208 1 7 R. Simmer . . . 2208 1 8 R. Helfrich . . . 2208 1 9 Thomas Holzman . F. . 2208 1 10 Jean Severin . . . 2208 1 11 Stephen Fesik . W. . 2208 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_cyclophilin _Assembly.Sf_category assembly _Assembly.Sf_framecode system_cyclophilin _Assembly.Entry_ID 2208 _Assembly.ID 1 _Assembly.Name cyclophilin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _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 cyclophilin 1 $cyclophilin . . . . . . . . . 2208 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID cyclophilin system 2208 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cyclophilin _Entity.Sf_category entity _Entity.Sf_framecode cyclophilin _Entity.Entry_ID 2208 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cyclophilin _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 ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; _Entity.Polymer_seq_one_letter_code ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 165 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 5.2.1.8 _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17218 . CypA . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 2 no BMRB 25104 . entity_1 . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 3 no BMRB 25337 . CypA . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 4 no BMRB 25502 . entity_1 . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 5 no PDB 1AK4 . "Human Cyclophilin A Bound To The Amino-Terminal Domain Of Hiv-1 Capsid" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 6 no PDB 1AWQ . "Cypa Complexed With Hagpia (Pseudo-Symmetric Monomer)" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 7 no PDB 1AWR . "Cypa Complexed With Hagpia" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 8 no PDB 1AWS . "Secypa Complexed With Hagpia (Pseudo-Symmetric Monomer)" . . . . . 99.39 164 97.56 97.56 4.09e-111 . . . . 2208 1 9 no PDB 1AWT . "Secypa Complexed With Hagpia" . . . . . 99.39 164 97.56 97.56 4.09e-111 . . . . 2208 1 10 no PDB 1AWU . "Cypa Complexed With Hvgpia (Pseudo-Symmetric Monomer)" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 11 no PDB 1AWV . "Cypa Complexed With Hvgpia" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 12 no PDB 1BCK . "Human Cyclophilin A Complexed With 2-Thr Cyclosporin" . . . . . 99.39 165 100.00 100.00 2.78e-115 . . . . 2208 1 13 no PDB 1CWA . "X-Ray Structure Of A Monomeric Cyclophilin A-Cyclosporin A Crystal Complex At 2.1 Angstroms Resolution" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 14 no PDB 1CWB . "The X-Ray Structure Of (Mebm2t)1-Cyclosporin Complexed With Cyclophilin A Provides An Explanation For Its Anomalously High Immu" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 15 no PDB 1CWC . "Improved Binding Affinity For Cyclophilin A By A Cyclosporin Derivative Singly Modified At Its Effector Domain" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 16 no PDB 1CWF . "Human Cyclophilin A Complexed With 2-Val Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 17 no PDB 1CWH . "Human Cyclophilin A Complexed With 3-D-Ser Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 18 no PDB 1CWI . "Human Cyclophilin A Complexed With 2-Val 3-(N-Methyl)-D-Alanine Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 19 no PDB 1CWJ . "Human Cyclophilin A Complexed With 2-Val 3-S-Methyl-Sarcosine Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 20 no PDB 1CWK . "Human Cyclophilin A Complexed With 1-(6,7-Dihydro)mebmt 2-Val 3-D-(2- S-Methyl)sarcosine Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 21 no PDB 1CWL . "Human Cyclophilin A Complexed With 4 4-Hydroxy-Meleu Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 22 no PDB 1CWM . "Human Cyclophilin A Complexed With 4 Meile Cyclosporin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 23 no PDB 1CWO . "Human Cyclophilin A Complexed With Thr2, Leu5, D-Hiv8, Leu10 Cyclosporin" . . . . . 99.39 165 100.00 100.00 2.78e-115 . . . . 2208 1 24 no PDB 1FGL . "Cyclophilin A Complexed With A Fragment Of Hiv-1 Gag Protein" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 25 no PDB 1M63 . "Crystal Structure Of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition Of Immunophilin-Drug Complexes" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 26 no PDB 1M9C . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type Complex." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 27 no PDB 1M9D . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) O-Type Chimera Complex." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 28 no PDB 1M9E . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a Complex" . . . . . 99.39 164 100.00 100.00 1.68e-115 . . . . 2208 1 29 no PDB 1M9F . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m Complex." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 30 no PDB 1M9X . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m,G89a Complex." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 31 no PDB 1M9Y . "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,G89a Complex." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 32 no PDB 1MF8 . "Crystal Structure Of Human Calcineurin Complexed With Cyclosporin A And Human Cyclophilin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 33 no PDB 1MIK . "The Role Of Water Molecules In The Structure-Based Design Of (5- Hydroxynorvaline)-2-Cyclosporin: Synthesis, Biological Activit" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 34 no PDB 1NMK . "The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-Ray Crystal Structure And Bindin" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 35 no PDB 1OCA . "Human Cyclophilin A, Unligated, Nmr, 20 Structures" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 36 no PDB 1RMH . "Recombinant Cyclophilin A From Human T Cell" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 37 no PDB 1VBS . "Structure Of Cyclophilin Complexed With (D)ala Containing Tetrapeptide" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 38 no PDB 1VBT . "Structure Of Cyclophilin Complexed With Sulfur-Substituted Tetrapeptide Aapf" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 39 no PDB 1W8L . "Enzymatic And Structural Characterization Of Non Peptide Ligand Cyclophilin Complexes" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 40 no PDB 1W8M . "Enzymatic And Structural Characterisation Of Non Peptide Ligand Cyclophilin Complexes" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 41 no PDB 1W8V . "Enzymatic And Structural Characterization Of Non Peptide Ligand Cyclophilin Complexes" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 42 no PDB 1YND . "Structure Of Human Cyclophilin A In Complex With The Novel Immunosuppressant Sanglifehrin A At 1.6a Resolution" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 43 no PDB 1ZKF . "Cyrstal Structure Of Human Cyclophilin-A In Complex With Suc-Agpf-Pna" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 44 no PDB 2ALF . "Crystal Structure Of Human Cypa Mutant K131a" . . . . . 99.39 164 98.78 99.39 5.56e-114 . . . . 2208 1 45 no PDB 2CPL . "Similarities And Differences Between Human Cyclophilin A And Other Beta-Barrel Structures. Structural Refinement At 1.63 Angstr" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 46 no PDB 2CYH . "Cyclophilin A Complexed With Dipeptide Ala-Pro" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 47 no PDB 2MS4 . "Cyclophilin A Complexed With A Fragment Of Crk-ii" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 48 no PDB 2MZU . "Extending The Enoe Data Set Of Large Proteins By Evaluation Of Noes With Unresolved Diagonals" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 49 no PDB 2N0T . "Structural Ensemble Of The Enzyme Cyclophilin Reveals An Orchestrated Mode Of Action At Atomic Resolution" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 50 no PDB 2RMA . "Crystal Structures Of Cyclophilin A Complexed With Cyclosporin A And N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclospor" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 51 no PDB 2RMB . "Crystal Structures Of Cyclophilin A Complexed With Cyclosporin A And N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclospor" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 52 no PDB 2WLW . "Structure Of The N-Terminal Capsid Domain Of Hiv-2" . . . . . 100.00 165 98.79 99.39 1.45e-114 . . . . 2208 1 53 no PDB 2X25 . "Free Acetyl-Cypa Orthorhombic Form" . . . . . 99.39 169 98.78 99.39 9.99e-114 . . . . 2208 1 54 no PDB 2X2A . "Free Acetyl-Cypa Trigonal Form" . . . . . 100.00 165 98.79 99.39 8.49e-115 . . . . 2208 1 55 no PDB 2X2C . "Acetyl-Cypa:cyclosporine Complex" . . . . . 100.00 165 99.39 99.39 1.92e-115 . . . . 2208 1 56 no PDB 2X2D . "Acetyl-Cypa:hiv-1 N-Term Capsid Domain Complex" . . . . . 100.00 165 99.39 99.39 1.92e-115 . . . . 2208 1 57 no PDB 2X83 . "Evolutionary Basis Of Hiv Restriction By The Antiretroviral Trimcyp" . . . . . 98.79 163 98.77 99.39 5.27e-113 . . . . 2208 1 58 no PDB 2XGY . "Complex Of Rabbit Endogenous Lentivirus (Relik)capsid With Cyclophilin A" . . . . . 100.00 173 100.00 100.00 8.38e-116 . . . . 2208 1 59 no PDB 3CYH . "Cyclophilin A Complexed With Dipeptide Ser-Pro" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 60 no PDB 3CYS . "Determination Of The Nmr Solution Structure Of The Cyclophilin A- Cyclosporin A Complex" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 61 no PDB 3K0M . "Cryogenic Structure Of Cypa" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 62 no PDB 3K0N . "Room Temperature Structure Of Cypa" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 63 no PDB 3K0O . "Room Temperature Structure Of Cypa Mutant Ser99thr" . . . . . 100.00 165 99.39 100.00 1.05e-115 . . . . 2208 1 64 no PDB 3K0P . "Cryogenic Structure Of Cypa Mutant Ser99thr" . . . . . 100.00 165 99.39 100.00 1.05e-115 . . . . 2208 1 65 no PDB 3K0Q . "Cryogenic Structure Of Cypa Mutant Ser99thr (2)" . . . . . 100.00 165 99.39 100.00 1.05e-115 . . . . 2208 1 66 no PDB 3K0R . "Cryogenic Structure Of Cypa Mutant Arg55lys" . . . . . 100.00 165 99.39 100.00 1.28e-115 . . . . 2208 1 67 no PDB 3ODI . "Crystal Structure Of Cyclophilin A In Complex With Voclosporin E- Isa247" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 68 no PDB 3ODL . "Crystal Structure Of Cyclophilin A In Complex With Voclosporin Z- Isa247" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 69 no PDB 3RDD . "Human Cyclophilin A Complexed With An Inhibitor" . . . . . 100.00 184 100.00 100.00 4.01e-116 . . . . 2208 1 70 no PDB 4CYH . "Cyclophilin A Complexed With Dipeptide His-Pro" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 71 no PDB 4DGA . "Trimcyp Cyclophilin Domain From Macaca Mulatta: Hiv-1 Ca(O-Loop) Complex" . . . . . 100.00 165 98.79 99.39 1.45e-114 . . . . 2208 1 72 no PDB 4DGB . "Trimcyp Cyclophilin Domain From Macaca Mulatta: Hiv-2 Ca Cyclophilin- Binding Loop Complex" . . . . . 100.00 165 98.79 99.39 1.45e-114 . . . . 2208 1 73 no PDB 4DGC . "Trimcyp Cyclophilin Domain From Macaca Mulatta: Cyclosporin A Complex" . . . . . 100.00 165 98.79 99.39 1.45e-114 . . . . 2208 1 74 no PDB 4DGD . "Trimcyp Cyclophilin Domain From Macaca Mulatta: H70c Mutant" . . . . . 100.00 165 98.18 98.79 7.75e-113 . . . . 2208 1 75 no PDB 4DGE . "Trimcyp Cyclophilin Domain From Macaca Mulatta: H70c Mutant, Hiv-1 Ca(O-Loop) Complex" . . . . . 100.00 165 98.18 98.79 7.75e-113 . . . . 2208 1 76 no PDB 4IPZ . "Smbz Bound To Cyclophilin A" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 77 no PDB 4N1M . "Structure Of Cyclophilin A In Complex With Glypro" . . . . . 100.00 168 100.00 100.00 3.14e-116 . . . . 2208 1 78 no PDB 4N1N . "Structure Of Cyclophilin A In Complex With Benzamide." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 79 no PDB 4N1O . "Structure Of Cyclophilin A In Complex With Saccharin." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 80 no PDB 4N1P . "Structure Of Cyclophilin A In Complex With Picolinamide." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 81 no PDB 4N1Q . "Structure Of Cyclophilin A In Complex With Cyclohexanecarboxamide." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 82 no PDB 4N1R . "Structure Of Cyclophilin A In Complex With Benzenesulfonohydrazide." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 83 no PDB 4N1S . "Structure Of Cyclophilin A In Complex With Benzohydrazide." . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 84 no PDB 4YUG . "Multiconformer Synchrotron Model Of Cypa At 100 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 85 no PDB 4YUH . "Multiconformer Synchrotron Model Of Cypa At 150 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 86 no PDB 4YUI . "Multiconformer Synchrotron Model Of Cypa At 180 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 87 no PDB 4YUJ . "Multiconformer Synchrotron Model Of Cypa At 240 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 88 no PDB 4YUK . "Multiconformer Synchrotron Model Of Cypa At 260 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 89 no PDB 4YUL . "Multiconformer Synchrotron Model Of Cypa At 280 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 90 no PDB 4YUM . "Multiconformer Synchrotron Model Of Cypa At 300 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 91 no PDB 4YUN . "Multiconformer Synchrotron Model Of Cypa At 310 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 92 no PDB 4YUO . "High-resolution Multiconformer Synchrotron Model Of Cypa At 273 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 93 no PDB 4YUP . "Multiconformer Fixed-target X-ray Free Electron (xfel) Model Of Cypa At 273 K" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 94 no PDB 5CYH . "Cyclophilin A Complexed With Dipeptide Gly-Pro" . . . . . 99.39 164 100.00 100.00 2.69e-115 . . . . 2208 1 95 no DBJ BAE01146 . "unnamed protein product [Macaca fascicularis]" . . . . . 63.64 105 99.05 100.00 1.51e-68 . . . . 2208 1 96 no DBJ BAE30323 . "unnamed protein product [Mus musculus]" . . . . . 99.39 164 96.95 97.56 9.05e-112 . . . . 2208 1 97 no DBJ BAE87660 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 98 no DBJ BAF82774 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 99 no DBJ BAF83540 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 165 99.39 100.00 1.37e-115 . . . . 2208 1 100 no EMBL CAA34961 . "unnamed protein product [Cricetulus longicaudatus]" . . . . . 99.39 164 96.95 98.78 1.68e-112 . . . . 2208 1 101 no EMBL CAA37039 . "peptidylprolyl isomerase [Homo sapiens]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 102 no EMBL CAA68264 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 103 no EMBL CAG32988 . "PPIA [Homo sapiens]" . . . . . 100.00 165 99.39 100.00 1.23e-115 . . . . 2208 1 104 no EMBL CAH91833 . "hypothetical protein [Pongo abelii]" . . . . . 100.00 165 99.39 99.39 1.43e-115 . . . . 2208 1 105 no GB AAB81959 . "cyclophilin A [Papio hamadryas]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 106 no GB AAB81960 . "cyclophilin A [Chlorocebus aethiops]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 107 no GB AAB81961 . "cyclophilin A [Macaca mulatta]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 108 no GB AAF69142 . "cyclophilin I [Bos taurus]" . . . . . 56.97 94 98.94 100.00 5.64e-60 . . . . 2208 1 109 no GB AAF78600 . "cyclophilin A [Canis lupus familiaris]" . . . . . 94.55 156 98.72 100.00 4.51e-108 . . . . 2208 1 110 no PIR CSHYAC . "peptidylprolyl isomerase (EC 5.2.1.8) A - Chinese hamster" . . . . . 99.39 164 96.95 98.78 1.68e-112 . . . . 2208 1 111 no PRF 1503232A . "peptidyl-Pro cis trans isomerase" . . . . . 99.39 164 98.78 100.00 1.28e-114 . . . . 2208 1 112 no REF NP_001009370 . "peptidyl-prolyl cis-trans isomerase A [Felis catus]" . . . . . 99.39 164 96.95 98.78 1.96e-112 . . . . 2208 1 113 no REF NP_001027981 . "peptidyl-prolyl cis-trans isomerase A [Macaca mulatta]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 114 no REF NP_001126060 . "peptidyl-prolyl cis-trans isomerase A [Pongo abelii]" . . . . . 100.00 165 99.39 99.39 1.43e-115 . . . . 2208 1 115 no REF NP_001270275 . "uncharacterized protein LOC101866023 [Macaca fascicularis]" . . . . . 63.64 105 99.05 100.00 1.51e-68 . . . . 2208 1 116 no REF NP_001271703 . "uncharacterized protein LOC101925040 [Macaca fascicularis]" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 117 no SP P14851 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" . . . . . 99.39 164 96.95 98.78 1.68e-112 . . . . 2208 1 118 no SP P62935 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" . . . . . 99.39 164 98.78 100.00 1.28e-114 . . . . 2208 1 119 no SP P62936 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" . . . . . 99.39 164 98.78 100.00 1.28e-114 . . . . 2208 1 120 no SP P62937 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 121 no SP P62938 . "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" . . . . . 100.00 165 100.00 100.00 3.57e-116 . . . . 2208 1 122 no TPG DAA25853 . "TPA: TRIM5/cyclophilin A fusion protein-like [Bos taurus]" . . . . . 99.39 164 97.56 98.78 4.73e-113 . . . . 2208 1 123 no TPG DAA25854 . "TPA: TRIM5/cyclophilin A fusion protein-like [Bos taurus]" . . . . . 99.39 164 97.56 98.78 4.73e-113 . . . . 2208 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID cyclophilin common 2208 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 . 2208 1 2 . VAL . 2208 1 3 . ASN . 2208 1 4 . PRO . 2208 1 5 . THR . 2208 1 6 . VAL . 2208 1 7 . PHE . 2208 1 8 . PHE . 2208 1 9 . ASP . 2208 1 10 . ILE . 2208 1 11 . ALA . 2208 1 12 . VAL . 2208 1 13 . ASP . 2208 1 14 . GLY . 2208 1 15 . GLU . 2208 1 16 . PRO . 2208 1 17 . LEU . 2208 1 18 . GLY . 2208 1 19 . ARG . 2208 1 20 . VAL . 2208 1 21 . SER . 2208 1 22 . PHE . 2208 1 23 . GLU . 2208 1 24 . LEU . 2208 1 25 . PHE . 2208 1 26 . ALA . 2208 1 27 . ASP . 2208 1 28 . LYS . 2208 1 29 . VAL . 2208 1 30 . PRO . 2208 1 31 . LYS . 2208 1 32 . THR . 2208 1 33 . ALA . 2208 1 34 . GLU . 2208 1 35 . ASN . 2208 1 36 . PHE . 2208 1 37 . ARG . 2208 1 38 . ALA . 2208 1 39 . LEU . 2208 1 40 . SER . 2208 1 41 . THR . 2208 1 42 . GLY . 2208 1 43 . GLU . 2208 1 44 . LYS . 2208 1 45 . GLY . 2208 1 46 . PHE . 2208 1 47 . GLY . 2208 1 48 . TYR . 2208 1 49 . LYS . 2208 1 50 . GLY . 2208 1 51 . SER . 2208 1 52 . CYS . 2208 1 53 . PHE . 2208 1 54 . HIS . 2208 1 55 . ARG . 2208 1 56 . ILE . 2208 1 57 . ILE . 2208 1 58 . PRO . 2208 1 59 . GLY . 2208 1 60 . PHE . 2208 1 61 . MET . 2208 1 62 . CYS . 2208 1 63 . GLN . 2208 1 64 . GLY . 2208 1 65 . GLY . 2208 1 66 . ASP . 2208 1 67 . PHE . 2208 1 68 . THR . 2208 1 69 . ARG . 2208 1 70 . HIS . 2208 1 71 . ASN . 2208 1 72 . GLY . 2208 1 73 . THR . 2208 1 74 . GLY . 2208 1 75 . GLY . 2208 1 76 . LYS . 2208 1 77 . SER . 2208 1 78 . ILE . 2208 1 79 . TYR . 2208 1 80 . GLY . 2208 1 81 . GLU . 2208 1 82 . LYS . 2208 1 83 . PHE . 2208 1 84 . GLU . 2208 1 85 . ASP . 2208 1 86 . GLU . 2208 1 87 . ASN . 2208 1 88 . PHE . 2208 1 89 . ILE . 2208 1 90 . LEU . 2208 1 91 . LYS . 2208 1 92 . HIS . 2208 1 93 . THR . 2208 1 94 . GLY . 2208 1 95 . PRO . 2208 1 96 . GLY . 2208 1 97 . ILE . 2208 1 98 . LEU . 2208 1 99 . SER . 2208 1 100 . MET . 2208 1 101 . ALA . 2208 1 102 . ASN . 2208 1 103 . ALA . 2208 1 104 . GLY . 2208 1 105 . PRO . 2208 1 106 . ASN . 2208 1 107 . THR . 2208 1 108 . ASN . 2208 1 109 . GLY . 2208 1 110 . SER . 2208 1 111 . GLN . 2208 1 112 . PHE . 2208 1 113 . PHE . 2208 1 114 . ILE . 2208 1 115 . CYS . 2208 1 116 . THR . 2208 1 117 . ALA . 2208 1 118 . LYS . 2208 1 119 . THR . 2208 1 120 . GLU . 2208 1 121 . TRP . 2208 1 122 . LEU . 2208 1 123 . ASP . 2208 1 124 . GLY . 2208 1 125 . LYS . 2208 1 126 . HIS . 2208 1 127 . VAL . 2208 1 128 . VAL . 2208 1 129 . PHE . 2208 1 130 . GLY . 2208 1 131 . LYS . 2208 1 132 . VAL . 2208 1 133 . LYS . 2208 1 134 . GLU . 2208 1 135 . GLY . 2208 1 136 . MET . 2208 1 137 . ASN . 2208 1 138 . ILE . 2208 1 139 . VAL . 2208 1 140 . GLU . 2208 1 141 . ALA . 2208 1 142 . MET . 2208 1 143 . GLU . 2208 1 144 . ARG . 2208 1 145 . PHE . 2208 1 146 . GLY . 2208 1 147 . SER . 2208 1 148 . ARG . 2208 1 149 . ASN . 2208 1 150 . GLY . 2208 1 151 . LYS . 2208 1 152 . THR . 2208 1 153 . SER . 2208 1 154 . LYS . 2208 1 155 . LYS . 2208 1 156 . ILE . 2208 1 157 . THR . 2208 1 158 . ILE . 2208 1 159 . ALA . 2208 1 160 . ASP . 2208 1 161 . CYS . 2208 1 162 . GLY . 2208 1 163 . GLN . 2208 1 164 . LEU . 2208 1 165 . GLU . 2208 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 2208 1 . VAL 2 2 2208 1 . ASN 3 3 2208 1 . PRO 4 4 2208 1 . THR 5 5 2208 1 . VAL 6 6 2208 1 . PHE 7 7 2208 1 . PHE 8 8 2208 1 . ASP 9 9 2208 1 . ILE 10 10 2208 1 . ALA 11 11 2208 1 . VAL 12 12 2208 1 . ASP 13 13 2208 1 . GLY 14 14 2208 1 . GLU 15 15 2208 1 . PRO 16 16 2208 1 . LEU 17 17 2208 1 . GLY 18 18 2208 1 . ARG 19 19 2208 1 . VAL 20 20 2208 1 . SER 21 21 2208 1 . PHE 22 22 2208 1 . GLU 23 23 2208 1 . LEU 24 24 2208 1 . PHE 25 25 2208 1 . ALA 26 26 2208 1 . ASP 27 27 2208 1 . LYS 28 28 2208 1 . VAL 29 29 2208 1 . PRO 30 30 2208 1 . LYS 31 31 2208 1 . THR 32 32 2208 1 . ALA 33 33 2208 1 . GLU 34 34 2208 1 . ASN 35 35 2208 1 . PHE 36 36 2208 1 . ARG 37 37 2208 1 . ALA 38 38 2208 1 . LEU 39 39 2208 1 . SER 40 40 2208 1 . THR 41 41 2208 1 . GLY 42 42 2208 1 . GLU 43 43 2208 1 . LYS 44 44 2208 1 . GLY 45 45 2208 1 . PHE 46 46 2208 1 . GLY 47 47 2208 1 . TYR 48 48 2208 1 . LYS 49 49 2208 1 . GLY 50 50 2208 1 . SER 51 51 2208 1 . CYS 52 52 2208 1 . PHE 53 53 2208 1 . HIS 54 54 2208 1 . ARG 55 55 2208 1 . ILE 56 56 2208 1 . ILE 57 57 2208 1 . PRO 58 58 2208 1 . GLY 59 59 2208 1 . PHE 60 60 2208 1 . MET 61 61 2208 1 . CYS 62 62 2208 1 . GLN 63 63 2208 1 . GLY 64 64 2208 1 . GLY 65 65 2208 1 . ASP 66 66 2208 1 . PHE 67 67 2208 1 . THR 68 68 2208 1 . ARG 69 69 2208 1 . HIS 70 70 2208 1 . ASN 71 71 2208 1 . GLY 72 72 2208 1 . THR 73 73 2208 1 . GLY 74 74 2208 1 . GLY 75 75 2208 1 . LYS 76 76 2208 1 . SER 77 77 2208 1 . ILE 78 78 2208 1 . TYR 79 79 2208 1 . GLY 80 80 2208 1 . GLU 81 81 2208 1 . LYS 82 82 2208 1 . PHE 83 83 2208 1 . GLU 84 84 2208 1 . ASP 85 85 2208 1 . GLU 86 86 2208 1 . ASN 87 87 2208 1 . PHE 88 88 2208 1 . ILE 89 89 2208 1 . LEU 90 90 2208 1 . LYS 91 91 2208 1 . HIS 92 92 2208 1 . THR 93 93 2208 1 . GLY 94 94 2208 1 . PRO 95 95 2208 1 . GLY 96 96 2208 1 . ILE 97 97 2208 1 . LEU 98 98 2208 1 . SER 99 99 2208 1 . MET 100 100 2208 1 . ALA 101 101 2208 1 . ASN 102 102 2208 1 . ALA 103 103 2208 1 . GLY 104 104 2208 1 . PRO 105 105 2208 1 . ASN 106 106 2208 1 . THR 107 107 2208 1 . ASN 108 108 2208 1 . GLY 109 109 2208 1 . SER 110 110 2208 1 . GLN 111 111 2208 1 . PHE 112 112 2208 1 . PHE 113 113 2208 1 . ILE 114 114 2208 1 . CYS 115 115 2208 1 . THR 116 116 2208 1 . ALA 117 117 2208 1 . LYS 118 118 2208 1 . THR 119 119 2208 1 . GLU 120 120 2208 1 . TRP 121 121 2208 1 . LEU 122 122 2208 1 . ASP 123 123 2208 1 . GLY 124 124 2208 1 . LYS 125 125 2208 1 . HIS 126 126 2208 1 . VAL 127 127 2208 1 . VAL 128 128 2208 1 . PHE 129 129 2208 1 . GLY 130 130 2208 1 . LYS 131 131 2208 1 . VAL 132 132 2208 1 . LYS 133 133 2208 1 . GLU 134 134 2208 1 . GLY 135 135 2208 1 . MET 136 136 2208 1 . ASN 137 137 2208 1 . ILE 138 138 2208 1 . VAL 139 139 2208 1 . GLU 140 140 2208 1 . ALA 141 141 2208 1 . MET 142 142 2208 1 . GLU 143 143 2208 1 . ARG 144 144 2208 1 . PHE 145 145 2208 1 . GLY 146 146 2208 1 . SER 147 147 2208 1 . ARG 148 148 2208 1 . ASN 149 149 2208 1 . GLY 150 150 2208 1 . LYS 151 151 2208 1 . THR 152 152 2208 1 . SER 153 153 2208 1 . LYS 154 154 2208 1 . LYS 155 155 2208 1 . ILE 156 156 2208 1 . THR 157 157 2208 1 . ILE 158 158 2208 1 . ALA 159 159 2208 1 . ASP 160 160 2208 1 . CYS 161 161 2208 1 . GLY 162 162 2208 1 . GLN 163 163 2208 1 . LEU 164 164 2208 1 . GLU 165 165 2208 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 2208 _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 $cyclophilin . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens generic . . . . . . . . . . . . . . . . . . . . 2208 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 2208 _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 $cyclophilin . 'not available' 'Escherichia coli' . . . Escherichia coli DL-39 . . . . . . . . . . . . . . . . . . . . . . 2208 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 2208 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 2208 _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 pH 6.5 . na 2208 1 temperature 293 . K 2208 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 2208 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 2208 _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 unknown unknown . 0 'spectrometer information not available' . . 2208 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 2208 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 2208 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 2208 _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 . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2208 1 H . TSP . . . . . . 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 2208 1 N . NH4[15]NO3 . . . . . . 376.25 . . . . . . 1 $entry_citation . . 1 $entry_citation 2208 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_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 2208 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _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 $sample_one . 2208 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 4 4 PRO CA C 13 56.9 . . 1 . . . . . . . . 2208 1 2 . 1 1 4 4 PRO C C 13 174.5 . . 1 . . . . . . . . 2208 1 3 . 1 1 5 5 THR H H 1 8.79 . . 1 . . . . . . . . 2208 1 4 . 1 1 5 5 THR CA C 13 60.4 . . 1 . . . . . . . . 2208 1 5 . 1 1 5 5 THR HA H 1 5.71 . . 1 . . . . . . . . 2208 1 6 . 1 1 5 5 THR C C 13 174.8 . . 1 . . . . . . . . 2208 1 7 . 1 1 5 5 THR N N 15 114.4 . . 1 . . . . . . . . 2208 1 8 . 1 1 6 6 VAL H H 1 8.72 . . 1 . . . . . . . . 2208 1 9 . 1 1 6 6 VAL CA C 13 58.5 . . 1 . . . . . . . . 2208 1 10 . 1 1 6 6 VAL HA H 1 5.31 . . 1 . . . . . . . . 2208 1 11 . 1 1 6 6 VAL C C 13 173.1 . . 1 . . . . . . . . 2208 1 12 . 1 1 6 6 VAL N N 15 120 . . 1 . . . . . . . . 2208 1 13 . 1 1 7 7 PHE H H 1 8.96 . . 1 . . . . . . . . 2208 1 14 . 1 1 7 7 PHE CA C 13 54.9 . . 1 . . . . . . . . 2208 1 15 . 1 1 7 7 PHE HA H 1 5.88 . . 1 . . . . . . . . 2208 1 16 . 1 1 7 7 PHE C C 13 172 . . 1 . . . . . . . . 2208 1 17 . 1 1 7 7 PHE N N 15 118.9 . . 1 . . . . . . . . 2208 1 18 . 1 1 8 8 PHE H H 1 9.54 . . 1 . . . . . . . . 2208 1 19 . 1 1 8 8 PHE CA C 13 53 . . 1 . . . . . . . . 2208 1 20 . 1 1 8 8 PHE HA H 1 5.32 . . 1 . . . . . . . . 2208 1 21 . 1 1 8 8 PHE C C 13 174.4 . . 1 . . . . . . . . 2208 1 22 . 1 1 8 8 PHE N N 15 117 . . 1 . . . . . . . . 2208 1 23 . 1 1 9 9 ASP H H 1 9.27 . . 1 . . . . . . . . 2208 1 24 . 1 1 9 9 ASP CA C 13 54.4 . . 1 . . . . . . . . 2208 1 25 . 1 1 9 9 ASP HA H 1 5.52 . . 1 . . . . . . . . 2208 1 26 . 1 1 9 9 ASP C C 13 176.6 . . 1 . . . . . . . . 2208 1 27 . 1 1 9 9 ASP N N 15 123.7 . . 1 . . . . . . . . 2208 1 28 . 1 1 10 10 ILE H H 1 9.06 . . 1 . . . . . . . . 2208 1 29 . 1 1 10 10 ILE CA C 13 57.7 . . 1 . . . . . . . . 2208 1 30 . 1 1 10 10 ILE HA H 1 5.2 . . 1 . . . . . . . . 2208 1 31 . 1 1 10 10 ILE C C 13 175.4 . . 1 . . . . . . . . 2208 1 32 . 1 1 10 10 ILE N N 15 123.7 . . 1 . . . . . . . . 2208 1 33 . 1 1 11 11 ALA H H 1 9.65 . . 1 . . . . . . . . 2208 1 34 . 1 1 11 11 ALA CA C 13 50.5 . . 1 . . . . . . . . 2208 1 35 . 1 1 11 11 ALA HA H 1 5.15 . . 1 . . . . . . . . 2208 1 36 . 1 1 11 11 ALA C C 13 174.2 . . 1 . . . . . . . . 2208 1 37 . 1 1 11 11 ALA N N 15 131.9 . . 1 . . . . . . . . 2208 1 38 . 1 1 12 12 VAL H H 1 8.93 . . 1 . . . . . . . . 2208 1 39 . 1 1 12 12 VAL CA C 13 60.1 . . 1 . . . . . . . . 2208 1 40 . 1 1 12 12 VAL HA H 1 4.5 . . 1 . . . . . . . . 2208 1 41 . 1 1 12 12 VAL C C 13 175.9 . . 1 . . . . . . . . 2208 1 42 . 1 1 12 12 VAL N N 15 117.8 . . 1 . . . . . . . . 2208 1 43 . 1 1 13 13 ASP H H 1 9.87 . . 1 . . . . . . . . 2208 1 44 . 1 1 13 13 ASP CA C 13 54.5 . . 1 . . . . . . . . 2208 1 45 . 1 1 13 13 ASP HA H 1 4.32 . . 1 . . . . . . . . 2208 1 46 . 1 1 13 13 ASP C C 13 175.2 . . 1 . . . . . . . . 2208 1 47 . 1 1 13 13 ASP N N 15 130.4 . . 1 . . . . . . . . 2208 1 48 . 1 1 14 14 GLY H H 1 8.58 . . 1 . . . . . . . . 2208 1 49 . 1 1 14 14 GLY CA C 13 45 . . 1 . . . . . . . . 2208 1 50 . 1 1 14 14 GLY HA2 H 1 3.41 . . 2 . . . . . . . . 2208 1 51 . 1 1 14 14 GLY C C 13 173.1 . . 1 . . . . . . . . 2208 1 52 . 1 1 14 14 GLY HA3 H 1 4.19 . . 2 . . . . . . . . 2208 1 53 . 1 1 14 14 GLY N N 15 101.1 . . 1 . . . . . . . . 2208 1 54 . 1 1 15 15 GLU H H 1 8.06 . . 1 . . . . . . . . 2208 1 55 . 1 1 15 15 GLU CA C 13 52.5 . . 1 . . . . . . . . 2208 1 56 . 1 1 15 15 GLU HA H 1 4.78 . . 1 . . . . . . . . 2208 1 57 . 1 1 15 15 GLU N N 15 122.9 . . 1 . . . . . . . . 2208 1 58 . 1 1 16 16 PRO CA C 13 64.4 . . 1 . . . . . . . . 2208 1 59 . 1 1 16 16 PRO C C 13 175.4 . . 1 . . . . . . . . 2208 1 60 . 1 1 17 17 LEU H H 1 9.19 . . 1 . . . . . . . . 2208 1 61 . 1 1 17 17 LEU CA C 13 55.2 . . 1 . . . . . . . . 2208 1 62 . 1 1 17 17 LEU HA H 1 4.7 . . 1 . . . . . . . . 2208 1 63 . 1 1 17 17 LEU C C 13 175.3 . . 1 . . . . . . . . 2208 1 64 . 1 1 17 17 LEU N N 15 125.6 . . 1 . . . . . . . . 2208 1 65 . 1 1 18 18 GLY H H 1 7.24 . . 1 . . . . . . . . 2208 1 66 . 1 1 18 18 GLY CA C 13 44.9 . . 1 . . . . . . . . 2208 1 67 . 1 1 18 18 GLY HA2 H 1 3.95 . . 2 . . . . . . . . 2208 1 68 . 1 1 18 18 GLY C C 13 169.4 . . 1 . . . . . . . . 2208 1 69 . 1 1 18 18 GLY HA3 H 1 4.21 . . 2 . . . . . . . . 2208 1 70 . 1 1 18 18 GLY N N 15 101.6 . . 1 . . . . . . . . 2208 1 71 . 1 1 19 19 ARG H H 1 8.39 . . 1 . . . . . . . . 2208 1 72 . 1 1 19 19 ARG CA C 13 54.7 . . 1 . . . . . . . . 2208 1 73 . 1 1 19 19 ARG HA H 1 5.63 . . 1 . . . . . . . . 2208 1 74 . 1 1 19 19 ARG C C 13 174.4 . . 1 . . . . . . . . 2208 1 75 . 1 1 19 19 ARG N N 15 120.4 . . 1 . . . . . . . . 2208 1 76 . 1 1 20 20 VAL H H 1 9.39 . . 1 . . . . . . . . 2208 1 77 . 1 1 20 20 VAL CA C 13 59.6 . . 1 . . . . . . . . 2208 1 78 . 1 1 20 20 VAL HA H 1 4.58 . . 1 . . . . . . . . 2208 1 79 . 1 1 20 20 VAL C C 13 173.2 . . 1 . . . . . . . . 2208 1 80 . 1 1 20 20 VAL N N 15 126.3 . . 1 . . . . . . . . 2208 1 81 . 1 1 21 21 SER H H 1 8.78 . . 1 . . . . . . . . 2208 1 82 . 1 1 21 21 SER CA C 13 55.1 . . 1 . . . . . . . . 2208 1 83 . 1 1 21 21 SER HA H 1 5.53 . . 1 . . . . . . . . 2208 1 84 . 1 1 21 21 SER C C 13 173.1 . . 1 . . . . . . . . 2208 1 85 . 1 1 21 21 SER N N 15 120 . . 1 . . . . . . . . 2208 1 86 . 1 1 22 22 PHE H H 1 9.49 . . 1 . . . . . . . . 2208 1 87 . 1 1 22 22 PHE CA C 13 55.4 . . 1 . . . . . . . . 2208 1 88 . 1 1 22 22 PHE HA H 1 5.21 . . 1 . . . . . . . . 2208 1 89 . 1 1 22 22 PHE C C 13 174.8 . . 1 . . . . . . . . 2208 1 90 . 1 1 22 22 PHE N N 15 118.5 . . 1 . . . . . . . . 2208 1 91 . 1 1 23 23 GLU H H 1 8.71 . . 1 . . . . . . . . 2208 1 92 . 1 1 23 23 GLU CA C 13 54.7 . . 1 . . . . . . . . 2208 1 93 . 1 1 23 23 GLU HA H 1 4.7 . . 1 . . . . . . . . 2208 1 94 . 1 1 23 23 GLU C C 13 174 . . 1 . . . . . . . . 2208 1 95 . 1 1 23 23 GLU N N 15 122.6 . . 1 . . . . . . . . 2208 1 96 . 1 1 24 24 LEU H H 1 8.16 . . 1 . . . . . . . . 2208 1 97 . 1 1 24 24 LEU CA C 13 51.4 . . 1 . . . . . . . . 2208 1 98 . 1 1 24 24 LEU HA H 1 4.71 . . 1 . . . . . . . . 2208 1 99 . 1 1 24 24 LEU C C 13 176.5 . . 1 . . . . . . . . 2208 1 100 . 1 1 24 24 LEU N N 15 121.9 . . 1 . . . . . . . . 2208 1 101 . 1 1 25 25 PHE H H 1 8.91 . . 1 . . . . . . . . 2208 1 102 . 1 1 25 25 PHE CA C 13 54.3 . . 1 . . . . . . . . 2208 1 103 . 1 1 25 25 PHE HA H 1 5.13 . . 1 . . . . . . . . 2208 1 104 . 1 1 25 25 PHE C C 13 175.9 . . 1 . . . . . . . . 2208 1 105 . 1 1 25 25 PHE N N 15 124.1 . . 1 . . . . . . . . 2208 1 106 . 1 1 26 26 ALA H H 1 8.47 . . 1 . . . . . . . . 2208 1 107 . 1 1 26 26 ALA CA C 13 54.1 . . 1 . . . . . . . . 2208 1 108 . 1 1 26 26 ALA HA H 1 3.75 . . 1 . . . . . . . . 2208 1 109 . 1 1 26 26 ALA C C 13 175.6 . . 1 . . . . . . . . 2208 1 110 . 1 1 26 26 ALA N N 15 128.5 . . 1 . . . . . . . . 2208 1 111 . 1 1 27 27 ASP H H 1 8.97 . . 1 . . . . . . . . 2208 1 112 . 1 1 27 27 ASP CA C 13 54.9 . . 1 . . . . . . . . 2208 1 113 . 1 1 27 27 ASP HA H 1 4.27 . . 1 . . . . . . . . 2208 1 114 . 1 1 27 27 ASP C C 13 176.3 . . 1 . . . . . . . . 2208 1 115 . 1 1 27 27 ASP N N 15 112.9 . . 1 . . . . . . . . 2208 1 116 . 1 1 28 28 LYS H H 1 7.54 . . 1 . . . . . . . . 2208 1 117 . 1 1 28 28 LYS CA C 13 56.2 . . 1 . . . . . . . . 2208 1 118 . 1 1 28 28 LYS HA H 1 4.56 . . 1 . . . . . . . . 2208 1 119 . 1 1 28 28 LYS C C 13 176.2 . . 1 . . . . . . . . 2208 1 120 . 1 1 28 28 LYS N N 15 117.4 . . 1 . . . . . . . . 2208 1 121 . 1 1 29 29 VAL H H 1 8.36 . . 1 . . . . . . . . 2208 1 122 . 1 1 29 29 VAL CA C 13 57.9 . . 1 . . . . . . . . 2208 1 123 . 1 1 29 29 VAL HA H 1 4.41 . . 1 . . . . . . . . 2208 1 124 . 1 1 29 29 VAL N N 15 114.4 . . 1 . . . . . . . . 2208 1 125 . 1 1 30 30 PRO CA C 13 65.9 . . 1 . . . . . . . . 2208 1 126 . 1 1 30 30 PRO C C 13 180.2 . . 1 . . . . . . . . 2208 1 127 . 1 1 31 31 LYS H H 1 10.71 . . 1 . . . . . . . . 2208 1 128 . 1 1 31 31 LYS CA C 13 60.1 . . 1 . . . . . . . . 2208 1 129 . 1 1 31 31 LYS HA H 1 4 . . 1 . . . . . . . . 2208 1 130 . 1 1 31 31 LYS C C 13 181 . . 1 . . . . . . . . 2208 1 131 . 1 1 31 31 LYS N N 15 123.3 . . 1 . . . . . . . . 2208 1 132 . 1 1 32 32 THR H H 1 10.28 . . 1 . . . . . . . . 2208 1 133 . 1 1 32 32 THR CA C 13 66.9 . . 1 . . . . . . . . 2208 1 134 . 1 1 32 32 THR HA H 1 3.98 . . 1 . . . . . . . . 2208 1 135 . 1 1 32 32 THR C C 13 177 . . 1 . . . . . . . . 2208 1 136 . 1 1 32 32 THR N N 15 123.7 . . 1 . . . . . . . . 2208 1 137 . 1 1 33 33 ALA H H 1 9.23 . . 1 . . . . . . . . 2208 1 138 . 1 1 33 33 ALA CA C 13 55.6 . . 1 . . . . . . . . 2208 1 139 . 1 1 33 33 ALA HA H 1 4.03 . . 1 . . . . . . . . 2208 1 140 . 1 1 33 33 ALA C C 13 177.4 . . 1 . . . . . . . . 2208 1 141 . 1 1 33 33 ALA N N 15 124.8 . . 1 . . . . . . . . 2208 1 142 . 1 1 34 34 GLU H H 1 8.03 . . 1 . . . . . . . . 2208 1 143 . 1 1 34 34 GLU CA C 13 57.6 . . 1 . . . . . . . . 2208 1 144 . 1 1 34 34 GLU HA H 1 4.49 . . 1 . . . . . . . . 2208 1 145 . 1 1 34 34 GLU C C 13 176.7 . . 1 . . . . . . . . 2208 1 146 . 1 1 34 34 GLU N N 15 117.4 . . 1 . . . . . . . . 2208 1 147 . 1 1 35 35 ASN H H 1 7.13 . . 1 . . . . . . . . 2208 1 148 . 1 1 35 35 ASN CA C 13 56.4 . . 1 . . . . . . . . 2208 1 149 . 1 1 35 35 ASN HA H 1 4.03 . . 1 . . . . . . . . 2208 1 150 . 1 1 35 35 ASN C C 13 174 . . 1 . . . . . . . . 2208 1 151 . 1 1 35 35 ASN N N 15 115.2 . . 1 . . . . . . . . 2208 1 152 . 1 1 36 36 PHE H H 1 7.02 . . 1 . . . . . . . . 2208 1 153 . 1 1 36 36 PHE CA C 13 61.1 . . 1 . . . . . . . . 2208 1 154 . 1 1 36 36 PHE HA H 1 4.11 . . 1 . . . . . . . . 2208 1 155 . 1 1 36 36 PHE C C 13 178.1 . . 1 . . . . . . . . 2208 1 156 . 1 1 36 36 PHE N N 15 116.6 . . 1 . . . . . . . . 2208 1 157 . 1 1 37 37 ARG H H 1 8.96 . . 1 . . . . . . . . 2208 1 158 . 1 1 37 37 ARG CA C 13 60.1 . . 1 . . . . . . . . 2208 1 159 . 1 1 37 37 ARG C C 13 177.3 . . 1 . . . . . . . . 2208 1 160 . 1 1 37 37 ARG N N 15 120.4 . . 1 . . . . . . . . 2208 1 161 . 1 1 38 38 ALA H H 1 8.67 . . 1 . . . . . . . . 2208 1 162 . 1 1 38 38 ALA CA C 13 53.9 . . 1 . . . . . . . . 2208 1 163 . 1 1 38 38 ALA HA H 1 4.04 . . 1 . . . . . . . . 2208 1 164 . 1 1 38 38 ALA C C 13 181.7 . . 1 . . . . . . . . 2208 1 165 . 1 1 38 38 ALA N N 15 118.5 . . 1 . . . . . . . . 2208 1 166 . 1 1 39 39 LEU H H 1 8.22 . . 1 . . . . . . . . 2208 1 167 . 1 1 39 39 LEU CA C 13 56.9 . . 1 . . . . . . . . 2208 1 168 . 1 1 39 39 LEU HA H 1 3.75 . . 1 . . . . . . . . 2208 1 169 . 1 1 39 39 LEU C C 13 178.8 . . 1 . . . . . . . . 2208 1 170 . 1 1 39 39 LEU N N 15 120.4 . . 1 . . . . . . . . 2208 1 171 . 1 1 40 40 SER H H 1 7.91 . . 1 . . . . . . . . 2208 1 172 . 1 1 40 40 SER CA C 13 62.2 . . 1 . . . . . . . . 2208 1 173 . 1 1 40 40 SER HA H 1 4.44 . . 1 . . . . . . . . 2208 1 174 . 1 1 40 40 SER C C 13 173.8 . . 1 . . . . . . . . 2208 1 175 . 1 1 40 40 SER N N 15 118.9 . . 1 . . . . . . . . 2208 1 176 . 1 1 41 41 THR H H 1 7.99 . . 1 . . . . . . . . 2208 1 177 . 1 1 41 41 THR CA C 13 62.6 . . 1 . . . . . . . . 2208 1 178 . 1 1 41 41 THR HA H 1 4.27 . . 1 . . . . . . . . 2208 1 179 . 1 1 41 41 THR C C 13 177.5 . . 1 . . . . . . . . 2208 1 180 . 1 1 41 41 THR N N 15 107.7 . . 1 . . . . . . . . 2208 1 181 . 1 1 42 42 GLY H H 1 7.58 . . 1 . . . . . . . . 2208 1 182 . 1 1 42 42 GLY CA C 13 45.4 . . 1 . . . . . . . . 2208 1 183 . 1 1 42 42 GLY HA2 H 1 3.46 . . 2 . . . . . . . . 2208 1 184 . 1 1 42 42 GLY C C 13 177 . . 1 . . . . . . . . 2208 1 185 . 1 1 42 42 GLY HA3 H 1 3.87 . . 2 . . . . . . . . 2208 1 186 . 1 1 42 42 GLY N N 15 107.7 . . 1 . . . . . . . . 2208 1 187 . 1 1 43 43 GLU H H 1 8 . . 1 . . . . . . . . 2208 1 188 . 1 1 43 43 GLU CA C 13 58.2 . . 1 . . . . . . . . 2208 1 189 . 1 1 43 43 GLU C C 13 175.8 . . 1 . . . . . . . . 2208 1 190 . 1 1 43 43 GLU N N 15 117.8 . . 1 . . . . . . . . 2208 1 191 . 1 1 44 44 LYS H H 1 9.13 . . 1 . . . . . . . . 2208 1 192 . 1 1 44 44 LYS CA C 13 53.9 . . 1 . . . . . . . . 2208 1 193 . 1 1 44 44 LYS HA H 1 4.28 . . 1 . . . . . . . . 2208 1 194 . 1 1 44 44 LYS C C 13 175.9 . . 1 . . . . . . . . 2208 1 195 . 1 1 44 44 LYS N N 15 117.8 . . 1 . . . . . . . . 2208 1 196 . 1 1 45 45 GLY H H 1 7.94 . . 1 . . . . . . . . 2208 1 197 . 1 1 45 45 GLY CA C 13 44.3 . . 1 . . . . . . . . 2208 1 198 . 1 1 45 45 GLY HA2 H 1 3.55 . . 2 . . . . . . . . 2208 1 199 . 1 1 45 45 GLY C C 13 171.9 . . 1 . . . . . . . . 2208 1 200 . 1 1 45 45 GLY HA3 H 1 4.28 . . 2 . . . . . . . . 2208 1 201 . 1 1 45 45 GLY N N 15 104.8 . . 1 . . . . . . . . 2208 1 202 . 1 1 46 46 PHE H H 1 6.42 . . 1 . . . . . . . . 2208 1 203 . 1 1 46 46 PHE CA C 13 53.7 . . 1 . . . . . . . . 2208 1 204 . 1 1 46 46 PHE HA H 1 4.6 . . 1 . . . . . . . . 2208 1 205 . 1 1 46 46 PHE C C 13 172.1 . . 1 . . . . . . . . 2208 1 206 . 1 1 46 46 PHE N N 15 113.3 . . 1 . . . . . . . . 2208 1 207 . 1 1 47 47 GLY H H 1 7.74 . . 1 . . . . . . . . 2208 1 208 . 1 1 47 47 GLY CA C 13 45.2 . . 1 . . . . . . . . 2208 1 209 . 1 1 47 47 GLY HA2 H 1 4.34 . . 2 . . . . . . . . 2208 1 210 . 1 1 47 47 GLY C C 13 170.9 . . 1 . . . . . . . . 2208 1 211 . 1 1 47 47 GLY HA3 H 1 2.5 . . 2 . . . . . . . . 2208 1 212 . 1 1 47 47 GLY N N 15 104 . . 1 . . . . . . . . 2208 1 213 . 1 1 48 48 TYR H H 1 6.86 . . 1 . . . . . . . . 2208 1 214 . 1 1 48 48 TYR CA C 13 57.1 . . 1 . . . . . . . . 2208 1 215 . 1 1 48 48 TYR HA H 1 4.2 . . 1 . . . . . . . . 2208 1 216 . 1 1 48 48 TYR C C 13 177.3 . . 1 . . . . . . . . 2208 1 217 . 1 1 48 48 TYR N N 15 113.3 . . 1 . . . . . . . . 2208 1 218 . 1 1 49 49 LYS H H 1 8.47 . . 1 . . . . . . . . 2208 1 219 . 1 1 49 49 LYS CA C 13 60.8 . . 1 . . . . . . . . 2208 1 220 . 1 1 49 49 LYS C C 13 176.8 . . 1 . . . . . . . . 2208 1 221 . 1 1 49 49 LYS N N 15 124.5 . . 1 . . . . . . . . 2208 1 222 . 1 1 50 50 GLY H H 1 9.52 . . 1 . . . . . . . . 2208 1 223 . 1 1 50 50 GLY CA C 13 44.9 . . 1 . . . . . . . . 2208 1 224 . 1 1 50 50 GLY HA2 H 1 4.8 . . 2 . . . . . . . . 2208 1 225 . 1 1 50 50 GLY C C 13 173.7 . . 1 . . . . . . . . 2208 1 226 . 1 1 50 50 GLY HA3 H 1 4.41 . . 2 . . . . . . . . 2208 1 227 . 1 1 50 50 GLY N N 15 116.7 . . 1 . . . . . . . . 2208 1 228 . 1 1 51 51 SER H H 1 8.41 . . 1 . . . . . . . . 2208 1 229 . 1 1 51 51 SER CA C 13 58.7 . . 1 . . . . . . . . 2208 1 230 . 1 1 51 51 SER HA H 1 4.63 . . 1 . . . . . . . . 2208 1 231 . 1 1 51 51 SER C C 13 171.1 . . 1 . . . . . . . . 2208 1 232 . 1 1 51 51 SER N N 15 116.3 . . 1 . . . . . . . . 2208 1 233 . 1 1 52 52 CYS H H 1 9.96 . . 1 . . . . . . . . 2208 1 234 . 1 1 52 52 CYS CA C 13 55.6 . . 1 . . . . . . . . 2208 1 235 . 1 1 52 52 CYS HA H 1 5.94 . . 1 . . . . . . . . 2208 1 236 . 1 1 52 52 CYS C C 13 175.6 . . 1 . . . . . . . . 2208 1 237 . 1 1 52 52 CYS N N 15 114.4 . . 1 . . . . . . . . 2208 1 238 . 1 1 53 53 PHE H H 1 8.68 . . 1 . . . . . . . . 2208 1 239 . 1 1 53 53 PHE CA C 13 57.7 . . 1 . . . . . . . . 2208 1 240 . 1 1 53 53 PHE HA H 1 4.87 . . 1 . . . . . . . . 2208 1 241 . 1 1 53 53 PHE C C 13 174.4 . . 1 . . . . . . . . 2208 1 242 . 1 1 53 53 PHE N N 15 122.6 . . 1 . . . . . . . . 2208 1 243 . 1 1 54 54 HIS H H 1 7.49 . . 1 . . . . . . . . 2208 1 244 . 1 1 54 54 HIS CA C 13 57 . . 1 . . . . . . . . 2208 1 245 . 1 1 54 54 HIS HA H 1 4.66 . . 1 . . . . . . . . 2208 1 246 . 1 1 54 54 HIS C C 13 174.8 . . 1 . . . . . . . . 2208 1 247 . 1 1 54 54 HIS N N 15 118.8 . . 1 . . . . . . . . 2208 1 248 . 1 1 55 55 ARG H H 1 6.89 . . 1 . . . . . . . . 2208 1 249 . 1 1 55 55 ARG CA C 13 54.6 . . 1 . . . . . . . . 2208 1 250 . 1 1 55 55 ARG HA H 1 5.09 . . 1 . . . . . . . . 2208 1 251 . 1 1 55 55 ARG C C 13 172.5 . . 1 . . . . . . . . 2208 1 252 . 1 1 55 55 ARG N N 15 123.7 . . 1 . . . . . . . . 2208 1 253 . 1 1 56 56 ILE H H 1 9.15 . . 1 . . . . . . . . 2208 1 254 . 1 1 56 56 ILE CA C 13 61.2 . . 1 . . . . . . . . 2208 1 255 . 1 1 56 56 ILE HA H 1 4.6 . . 1 . . . . . . . . 2208 1 256 . 1 1 56 56 ILE C C 13 173.1 . . 1 . . . . . . . . 2208 1 257 . 1 1 56 56 ILE N N 15 126.7 . . 1 . . . . . . . . 2208 1 258 . 1 1 57 57 ILE H H 1 8.49 . . 1 . . . . . . . . 2208 1 259 . 1 1 57 57 ILE CA C 13 57.2 . . 1 . . . . . . . . 2208 1 260 . 1 1 57 57 ILE HA H 1 5.28 . . 1 . . . . . . . . 2208 1 261 . 1 1 57 57 ILE N N 15 126.7 . . 1 . . . . . . . . 2208 1 262 . 1 1 58 58 PRO CA C 13 62.5 . . 1 . . . . . . . . 2208 1 263 . 1 1 58 58 PRO C C 13 177 . . 1 . . . . . . . . 2208 1 264 . 1 1 59 59 GLY H H 1 9.83 . . 1 . . . . . . . . 2208 1 265 . 1 1 59 59 GLY CA C 13 44.8 . . 1 . . . . . . . . 2208 1 266 . 1 1 59 59 GLY HA2 H 1 4.04 . . 1 . . . . . . . . 2208 1 267 . 1 1 59 59 GLY C C 13 171.5 . . 1 . . . . . . . . 2208 1 268 . 1 1 59 59 GLY HA3 H 1 4.04 . . 1 . . . . . . . . 2208 1 269 . 1 1 59 59 GLY N N 15 113.7 . . 1 . . . . . . . . 2208 1 270 . 1 1 60 60 PHE H H 1 8.11 . . 1 . . . . . . . . 2208 1 271 . 1 1 60 60 PHE CA C 13 56.1 . . 1 . . . . . . . . 2208 1 272 . 1 1 60 60 PHE HA H 1 5.19 . . 1 . . . . . . . . 2208 1 273 . 1 1 60 60 PHE C C 13 172 . . 1 . . . . . . . . 2208 1 274 . 1 1 60 60 PHE N N 15 118.9 . . 1 . . . . . . . . 2208 1 275 . 1 1 61 61 MET H H 1 7.85 . . 1 . . . . . . . . 2208 1 276 . 1 1 61 61 MET CA C 13 54.3 . . 1 . . . . . . . . 2208 1 277 . 1 1 61 61 MET HA H 1 5.15 . . 1 . . . . . . . . 2208 1 278 . 1 1 61 61 MET C C 13 173.7 . . 1 . . . . . . . . 2208 1 279 . 1 1 61 61 MET N N 15 109.6 . . 1 . . . . . . . . 2208 1 280 . 1 1 62 62 CYS H H 1 8.32 . . 1 . . . . . . . . 2208 1 281 . 1 1 62 62 CYS CA C 13 57.3 . . 1 . . . . . . . . 2208 1 282 . 1 1 62 62 CYS HA H 1 4.81 . . 1 . . . . . . . . 2208 1 283 . 1 1 62 62 CYS C C 13 172.2 . . 1 . . . . . . . . 2208 1 284 . 1 1 62 62 CYS N N 15 112.6 . . 1 . . . . . . . . 2208 1 285 . 1 1 63 63 GLN H H 1 9.33 . . 1 . . . . . . . . 2208 1 286 . 1 1 63 63 GLN CA C 13 54.3 . . 1 . . . . . . . . 2208 1 287 . 1 1 63 63 GLN HA H 1 5.13 . . 1 . . . . . . . . 2208 1 288 . 1 1 63 63 GLN C C 13 173.5 . . 1 . . . . . . . . 2208 1 289 . 1 1 63 63 GLN N N 15 127.1 . . 1 . . . . . . . . 2208 1 290 . 1 1 64 64 GLY H H 1 7.47 . . 1 . . . . . . . . 2208 1 291 . 1 1 64 64 GLY CA C 13 44.5 . . 1 . . . . . . . . 2208 1 292 . 1 1 64 64 GLY C C 13 172.2 . . 1 . . . . . . . . 2208 1 293 . 1 1 64 64 GLY N N 15 110 . . 1 . . . . . . . . 2208 1 294 . 1 1 65 65 GLY H H 1 9.11 . . 1 . . . . . . . . 2208 1 295 . 1 1 65 65 GLY CA C 13 46.4 . . 1 . . . . . . . . 2208 1 296 . 1 1 65 65 GLY C C 13 174.8 . . 1 . . . . . . . . 2208 1 297 . 1 1 65 65 GLY N N 15 104.8 . . 1 . . . . . . . . 2208 1 298 . 1 1 66 66 ASP H H 1 9.99 . . 1 . . . . . . . . 2208 1 299 . 1 1 66 66 ASP CA C 13 51.2 . . 1 . . . . . . . . 2208 1 300 . 1 1 66 66 ASP HA H 1 4.25 . . 1 . . . . . . . . 2208 1 301 . 1 1 66 66 ASP C C 13 175.8 . . 1 . . . . . . . . 2208 1 302 . 1 1 66 66 ASP N N 15 123.7 . . 1 . . . . . . . . 2208 1 303 . 1 1 67 67 PHE H H 1 6.73 . . 1 . . . . . . . . 2208 1 304 . 1 1 67 67 PHE CA C 13 55.8 . . 1 . . . . . . . . 2208 1 305 . 1 1 67 67 PHE HA H 1 4.61 . . 1 . . . . . . . . 2208 1 306 . 1 1 67 67 PHE C C 13 173.5 . . 1 . . . . . . . . 2208 1 307 . 1 1 67 67 PHE N N 15 115.5 . . 1 . . . . . . . . 2208 1 308 . 1 1 68 68 THR H H 1 7.25 . . 1 . . . . . . . . 2208 1 309 . 1 1 68 68 THR CA C 13 61.4 . . 1 . . . . . . . . 2208 1 310 . 1 1 68 68 THR HA H 1 4.62 . . 1 . . . . . . . . 2208 1 311 . 1 1 68 68 THR C C 13 175.1 . . 1 . . . . . . . . 2208 1 312 . 1 1 68 68 THR N N 15 108.1 . . 1 . . . . . . . . 2208 1 313 . 1 1 69 69 ARG H H 1 8.7 . . 1 . . . . . . . . 2208 1 314 . 1 1 69 69 ARG CA C 13 54.6 . . 1 . . . . . . . . 2208 1 315 . 1 1 69 69 ARG HA H 1 4.38 . . 1 . . . . . . . . 2208 1 316 . 1 1 69 69 ARG C C 13 175.6 . . 1 . . . . . . . . 2208 1 317 . 1 1 69 69 ARG N N 15 121.5 . . 1 . . . . . . . . 2208 1 318 . 1 1 70 70 HIS H H 1 6.58 . . 1 . . . . . . . . 2208 1 319 . 1 1 70 70 HIS CA C 13 56.8 . . 1 . . . . . . . . 2208 1 320 . 1 1 70 70 HIS HA H 1 4.42 . . 1 . . . . . . . . 2208 1 321 . 1 1 70 70 HIS C C 13 173.6 . . 1 . . . . . . . . 2208 1 322 . 1 1 70 70 HIS N N 15 110.7 . . 1 . . . . . . . . 2208 1 323 . 1 1 71 71 ASN H H 1 7.44 . . 1 . . . . . . . . 2208 1 324 . 1 1 71 71 ASN CA C 13 52.1 . . 1 . . . . . . . . 2208 1 325 . 1 1 71 71 ASN HA H 1 4.51 . . 1 . . . . . . . . 2208 1 326 . 1 1 71 71 ASN C C 13 175.1 . . 1 . . . . . . . . 2208 1 327 . 1 1 71 71 ASN N N 15 111.8 . . 1 . . . . . . . . 2208 1 328 . 1 1 72 72 GLY H H 1 9.66 . . 1 . . . . . . . . 2208 1 329 . 1 1 72 72 GLY CA C 13 44.8 . . 1 . . . . . . . . 2208 1 330 . 1 1 72 72 GLY HA2 H 1 4.47 . . 1 . . . . . . . . 2208 1 331 . 1 1 72 72 GLY C C 13 174.5 . . 1 . . . . . . . . 2208 1 332 . 1 1 72 72 GLY HA3 H 1 4.47 . . 1 . . . . . . . . 2208 1 333 . 1 1 72 72 GLY N N 15 110.7 . . 1 . . . . . . . . 2208 1 334 . 1 1 73 73 THR H H 1 7.87 . . 1 . . . . . . . . 2208 1 335 . 1 1 73 73 THR CA C 13 61.9 . . 1 . . . . . . . . 2208 1 336 . 1 1 73 73 THR HA H 1 4.15 . . 1 . . . . . . . . 2208 1 337 . 1 1 73 73 THR C C 13 175.6 . . 1 . . . . . . . . 2208 1 338 . 1 1 73 73 THR N N 15 109.2 . . 1 . . . . . . . . 2208 1 339 . 1 1 74 74 GLY H H 1 8.8 . . 1 . . . . . . . . 2208 1 340 . 1 1 74 74 GLY CA C 13 44.8 . . 1 . . . . . . . . 2208 1 341 . 1 1 74 74 GLY HA2 H 1 4.46 . . 2 . . . . . . . . 2208 1 342 . 1 1 74 74 GLY C C 13 174.5 . . 1 . . . . . . . . 2208 1 343 . 1 1 74 74 GLY HA3 H 1 3.45 . . 2 . . . . . . . . 2208 1 344 . 1 1 74 74 GLY N N 15 113.3 . . 1 . . . . . . . . 2208 1 345 . 1 1 75 75 GLY H H 1 8.09 . . 1 . . . . . . . . 2208 1 346 . 1 1 75 75 GLY CA C 13 42.9 . . 1 . . . . . . . . 2208 1 347 . 1 1 75 75 GLY HA2 H 1 4.57 . . 2 . . . . . . . . 2208 1 348 . 1 1 75 75 GLY C C 13 171.5 . . 1 . . . . . . . . 2208 1 349 . 1 1 75 75 GLY HA3 H 1 2.64 . . 2 . . . . . . . . 2208 1 350 . 1 1 75 75 GLY N N 15 108.5 . . 1 . . . . . . . . 2208 1 351 . 1 1 76 76 LYS H H 1 6.95 . . 1 . . . . . . . . 2208 1 352 . 1 1 76 76 LYS CA C 13 55.6 . . 1 . . . . . . . . 2208 1 353 . 1 1 76 76 LYS HA H 1 4.66 . . 1 . . . . . . . . 2208 1 354 . 1 1 76 76 LYS C C 13 171.8 . . 1 . . . . . . . . 2208 1 355 . 1 1 76 76 LYS N N 15 115.2 . . 1 . . . . . . . . 2208 1 356 . 1 1 77 77 SER H H 1 7.79 . . 1 . . . . . . . . 2208 1 357 . 1 1 77 77 SER CA C 13 56.7 . . 1 . . . . . . . . 2208 1 358 . 1 1 77 77 SER HA H 1 5.21 . . 1 . . . . . . . . 2208 1 359 . 1 1 77 77 SER C C 13 175.1 . . 1 . . . . . . . . 2208 1 360 . 1 1 77 77 SER N N 15 114.1 . . 1 . . . . . . . . 2208 1 361 . 1 1 78 78 ILE H H 1 8.57 . . 1 . . . . . . . . 2208 1 362 . 1 1 78 78 ILE CA C 13 63.3 . . 1 . . . . . . . . 2208 1 363 . 1 1 78 78 ILE HA H 1 4.2 . . 1 . . . . . . . . 2208 1 364 . 1 1 78 78 ILE C C 13 175.5 . . 1 . . . . . . . . 2208 1 365 . 1 1 78 78 ILE N N 15 110.3 . . 1 . . . . . . . . 2208 1 366 . 1 1 79 79 TYR H H 1 8.08 . . 1 . . . . . . . . 2208 1 367 . 1 1 79 79 TYR CA C 13 56 . . 1 . . . . . . . . 2208 1 368 . 1 1 79 79 TYR HA H 1 4.66 . . 1 . . . . . . . . 2208 1 369 . 1 1 79 79 TYR C C 13 174.8 . . 1 . . . . . . . . 2208 1 370 . 1 1 79 79 TYR N N 15 120.4 . . 1 . . . . . . . . 2208 1 371 . 1 1 80 80 GLY H H 1 7.12 . . 1 . . . . . . . . 2208 1 372 . 1 1 80 80 GLY CA C 13 42.7 . . 1 . . . . . . . . 2208 1 373 . 1 1 80 80 GLY HA2 H 1 4.65 . . 2 . . . . . . . . 2208 1 374 . 1 1 80 80 GLY C C 13 173.4 . . 1 . . . . . . . . 2208 1 375 . 1 1 80 80 GLY HA3 H 1 3.8 . . 2 . . . . . . . . 2208 1 376 . 1 1 80 80 GLY N N 15 105.9 . . 1 . . . . . . . . 2208 1 377 . 1 1 81 81 GLU H H 1 8.97 . . 1 . . . . . . . . 2208 1 378 . 1 1 81 81 GLU CA C 13 60.2 . . 1 . . . . . . . . 2208 1 379 . 1 1 81 81 GLU HA H 1 4.49 . . 1 . . . . . . . . 2208 1 380 . 1 1 81 81 GLU C C 13 175.2 . . 1 . . . . . . . . 2208 1 381 . 1 1 81 81 GLU N N 15 122.6 . . 1 . . . . . . . . 2208 1 382 . 1 1 82 82 LYS H H 1 7.89 . . 1 . . . . . . . . 2208 1 383 . 1 1 82 82 LYS CA C 13 53.5 . . 1 . . . . . . . . 2208 1 384 . 1 1 82 82 LYS HA H 1 5.54 . . 1 . . . . . . . . 2208 1 385 . 1 1 82 82 LYS C C 13 174.8 . . 1 . . . . . . . . 2208 1 386 . 1 1 82 82 LYS N N 15 112.2 . . 1 . . . . . . . . 2208 1 387 . 1 1 83 83 PHE H H 1 9.2 . . 1 . . . . . . . . 2208 1 388 . 1 1 83 83 PHE CA C 13 55.6 . . 1 . . . . . . . . 2208 1 389 . 1 1 83 83 PHE HA H 1 4.96 . . 1 . . . . . . . . 2208 1 390 . 1 1 83 83 PHE C C 13 172.9 . . 1 . . . . . . . . 2208 1 391 . 1 1 83 83 PHE N N 15 115.9 . . 1 . . . . . . . . 2208 1 392 . 1 1 84 84 GLU H H 1 9.25 . . 1 . . . . . . . . 2208 1 393 . 1 1 84 84 GLU CA C 13 56.2 . . 1 . . . . . . . . 2208 1 394 . 1 1 84 84 GLU HA H 1 3.78 . . 1 . . . . . . . . 2208 1 395 . 1 1 84 84 GLU C C 13 175.6 . . 1 . . . . . . . . 2208 1 396 . 1 1 84 84 GLU N N 15 118.9 . . 1 . . . . . . . . 2208 1 397 . 1 1 85 85 ASP H H 1 8.66 . . 1 . . . . . . . . 2208 1 398 . 1 1 85 85 ASP CA C 13 54.2 . . 1 . . . . . . . . 2208 1 399 . 1 1 85 85 ASP HA H 1 4.28 . . 1 . . . . . . . . 2208 1 400 . 1 1 85 85 ASP C C 13 175.5 . . 1 . . . . . . . . 2208 1 401 . 1 1 85 85 ASP N N 15 118.5 . . 1 . . . . . . . . 2208 1 402 . 1 1 86 86 GLU H H 1 9.56 . . 1 . . . . . . . . 2208 1 403 . 1 1 86 86 GLU CA C 13 60 . . 1 . . . . . . . . 2208 1 404 . 1 1 86 86 GLU C C 13 175.6 . . 1 . . . . . . . . 2208 1 405 . 1 1 86 86 GLU N N 15 131.5 . . 1 . . . . . . . . 2208 1 406 . 1 1 87 87 ASN H H 1 7.07 . . 1 . . . . . . . . 2208 1 407 . 1 1 87 87 ASN CA C 13 52.4 . . 1 . . . . . . . . 2208 1 408 . 1 1 87 87 ASN HA H 1 4.12 . . 1 . . . . . . . . 2208 1 409 . 1 1 87 87 ASN C C 13 170 . . 1 . . . . . . . . 2208 1 410 . 1 1 87 87 ASN N N 15 106.3 . . 1 . . . . . . . . 2208 1 411 . 1 1 88 88 PHE H H 1 8.33 . . 1 . . . . . . . . 2208 1 412 . 1 1 88 88 PHE CA C 13 55.5 . . 1 . . . . . . . . 2208 1 413 . 1 1 88 88 PHE HA H 1 5.96 . . 1 . . . . . . . . 2208 1 414 . 1 1 88 88 PHE C C 13 177 . . 1 . . . . . . . . 2208 1 415 . 1 1 88 88 PHE N N 15 112.2 . . 1 . . . . . . . . 2208 1 416 . 1 1 89 89 ILE H H 1 8.31 . . 1 . . . . . . . . 2208 1 417 . 1 1 89 89 ILE CA C 13 64.6 . . 1 . . . . . . . . 2208 1 418 . 1 1 89 89 ILE HA H 1 3.74 . . 1 . . . . . . . . 2208 1 419 . 1 1 89 89 ILE C C 13 177 . . 1 . . . . . . . . 2208 1 420 . 1 1 89 89 ILE N N 15 119.3 . . 1 . . . . . . . . 2208 1 421 . 1 1 90 90 LEU H H 1 7.79 . . 1 . . . . . . . . 2208 1 422 . 1 1 90 90 LEU CA C 13 53.7 . . 1 . . . . . . . . 2208 1 423 . 1 1 90 90 LEU HA H 1 4.45 . . 1 . . . . . . . . 2208 1 424 . 1 1 90 90 LEU C C 13 175.6 . . 1 . . . . . . . . 2208 1 425 . 1 1 90 90 LEU N N 15 117 . . 1 . . . . . . . . 2208 1 426 . 1 1 91 91 LYS H H 1 8.09 . . 1 . . . . . . . . 2208 1 427 . 1 1 91 91 LYS CA C 13 54.1 . . 1 . . . . . . . . 2208 1 428 . 1 1 91 91 LYS HA H 1 4.6 . . 1 . . . . . . . . 2208 1 429 . 1 1 91 91 LYS C C 13 175.6 . . 1 . . . . . . . . 2208 1 430 . 1 1 91 91 LYS N N 15 118.5 . . 1 . . . . . . . . 2208 1 431 . 1 1 92 92 HIS H H 1 10.58 . . 1 . . . . . . . . 2208 1 432 . 1 1 92 92 HIS CA C 13 56.3 . . 1 . . . . . . . . 2208 1 433 . 1 1 92 92 HIS HA H 1 4.34 . . 1 . . . . . . . . 2208 1 434 . 1 1 92 92 HIS C C 13 177 . . 1 . . . . . . . . 2208 1 435 . 1 1 92 92 HIS N N 15 121.9 . . 1 . . . . . . . . 2208 1 436 . 1 1 93 93 THR H H 1 7.24 . . 1 . . . . . . . . 2208 1 437 . 1 1 93 93 THR CA C 13 62.9 . . 1 . . . . . . . . 2208 1 438 . 1 1 93 93 THR HA H 1 4 . . 1 . . . . . . . . 2208 1 439 . 1 1 93 93 THR C C 13 174.8 . . 1 . . . . . . . . 2208 1 440 . 1 1 93 93 THR N N 15 109.6 . . 1 . . . . . . . . 2208 1 441 . 1 1 94 94 GLY H H 1 7.54 . . 1 . . . . . . . . 2208 1 442 . 1 1 94 94 GLY CA C 13 45.3 . . 1 . . . . . . . . 2208 1 443 . 1 1 94 94 GLY HA2 H 1 4.75 . . 2 . . . . . . . . 2208 1 444 . 1 1 94 94 GLY HA3 H 1 4.44 . . 2 . . . . . . . . 2208 1 445 . 1 1 94 94 GLY N N 15 106.6 . . 1 . . . . . . . . 2208 1 446 . 1 1 95 95 PRO CA C 13 62.4 . . 1 . . . . . . . . 2208 1 447 . 1 1 95 95 PRO C C 13 176.4 . . 1 . . . . . . . . 2208 1 448 . 1 1 96 96 GLY H H 1 9.24 . . 1 . . . . . . . . 2208 1 449 . 1 1 96 96 GLY CA C 13 44.7 . . 1 . . . . . . . . 2208 1 450 . 1 1 96 96 GLY HA2 H 1 4.6 . . 2 . . . . . . . . 2208 1 451 . 1 1 96 96 GLY C C 13 172.5 . . 1 . . . . . . . . 2208 1 452 . 1 1 96 96 GLY HA3 H 1 3.35 . . 2 . . . . . . . . 2208 1 453 . 1 1 96 96 GLY N N 15 110.3 . . 1 . . . . . . . . 2208 1 454 . 1 1 97 97 ILE H H 1 6.78 . . 1 . . . . . . . . 2208 1 455 . 1 1 97 97 ILE CA C 13 59.2 . . 1 . . . . . . . . 2208 1 456 . 1 1 97 97 ILE HA H 1 4.02 . . 1 . . . . . . . . 2208 1 457 . 1 1 97 97 ILE C C 13 172.1 . . 1 . . . . . . . . 2208 1 458 . 1 1 97 97 ILE N N 15 120.7 . . 1 . . . . . . . . 2208 1 459 . 1 1 98 98 LEU H H 1 7.82 . . 1 . . . . . . . . 2208 1 460 . 1 1 98 98 LEU CA C 13 53 . . 1 . . . . . . . . 2208 1 461 . 1 1 98 98 LEU HA H 1 4.81 . . 1 . . . . . . . . 2208 1 462 . 1 1 98 98 LEU C C 13 173 . . 1 . . . . . . . . 2208 1 463 . 1 1 98 98 LEU N N 15 129.3 . . 1 . . . . . . . . 2208 1 464 . 1 1 99 99 SER H H 1 7.96 . . 1 . . . . . . . . 2208 1 465 . 1 1 99 99 SER CA C 13 54.1 . . 1 . . . . . . . . 2208 1 466 . 1 1 99 99 SER HA H 1 5.21 . . 1 . . . . . . . . 2208 1 467 . 1 1 99 99 SER C C 13 173.4 . . 1 . . . . . . . . 2208 1 468 . 1 1 99 99 SER N N 15 118.9 . . 1 . . . . . . . . 2208 1 469 . 1 1 100 100 MET H H 1 8.29 . . 1 . . . . . . . . 2208 1 470 . 1 1 100 100 MET CA C 13 53.5 . . 1 . . . . . . . . 2208 1 471 . 1 1 100 100 MET HA H 1 5.51 . . 1 . . . . . . . . 2208 1 472 . 1 1 100 100 MET C C 13 178.4 . . 1 . . . . . . . . 2208 1 473 . 1 1 100 100 MET N N 15 122.6 . . 1 . . . . . . . . 2208 1 474 . 1 1 101 101 ALA H H 1 8.23 . . 1 . . . . . . . . 2208 1 475 . 1 1 101 101 ALA CA C 13 51.4 . . 1 . . . . . . . . 2208 1 476 . 1 1 101 101 ALA HA H 1 4.72 . . 1 . . . . . . . . 2208 1 477 . 1 1 101 101 ALA C C 13 174.5 . . 1 . . . . . . . . 2208 1 478 . 1 1 101 101 ALA N N 15 126.3 . . 1 . . . . . . . . 2208 1 479 . 1 1 102 102 ASN H H 1 7.7 . . 1 . . . . . . . . 2208 1 480 . 1 1 102 102 ASN CA C 13 53.4 . . 1 . . . . . . . . 2208 1 481 . 1 1 102 102 ASN HA H 1 4.71 . . 1 . . . . . . . . 2208 1 482 . 1 1 102 102 ASN C C 13 172.3 . . 1 . . . . . . . . 2208 1 483 . 1 1 102 102 ASN N N 15 113.3 . . 1 . . . . . . . . 2208 1 484 . 1 1 103 103 ALA H H 1 9.26 . . 1 . . . . . . . . 2208 1 485 . 1 1 103 103 ALA CA C 13 50.1 . . 1 . . . . . . . . 2208 1 486 . 1 1 103 103 ALA HA H 1 4.73 . . 1 . . . . . . . . 2208 1 487 . 1 1 103 103 ALA C C 13 175.9 . . 1 . . . . . . . . 2208 1 488 . 1 1 103 103 ALA N N 15 120.7 . . 1 . . . . . . . . 2208 1 489 . 1 1 104 104 GLY H H 1 8.24 . . 1 . . . . . . . . 2208 1 490 . 1 1 104 104 GLY CA C 13 43.1 . . 1 . . . . . . . . 2208 1 491 . 1 1 104 104 GLY HA2 H 1 4.68 . . 2 . . . . . . . . 2208 1 492 . 1 1 104 104 GLY HA3 H 1 3.72 . . 2 . . . . . . . . 2208 1 493 . 1 1 104 104 GLY N N 15 107.7 . . 1 . . . . . . . . 2208 1 494 . 1 1 105 105 PRO CA C 13 63.7 . . 1 . . . . . . . . 2208 1 495 . 1 1 105 105 PRO C C 13 175.5 . . 1 . . . . . . . . 2208 1 496 . 1 1 106 106 ASN H H 1 8.86 . . 1 . . . . . . . . 2208 1 497 . 1 1 106 106 ASN CA C 13 54 . . 1 . . . . . . . . 2208 1 498 . 1 1 106 106 ASN HA H 1 4.11 . . 1 . . . . . . . . 2208 1 499 . 1 1 106 106 ASN C C 13 174.4 . . 1 . . . . . . . . 2208 1 500 . 1 1 106 106 ASN N N 15 118.9 . . 1 . . . . . . . . 2208 1 501 . 1 1 107 107 THR H H 1 10.31 . . 1 . . . . . . . . 2208 1 502 . 1 1 107 107 THR CA C 13 59.9 . . 1 . . . . . . . . 2208 1 503 . 1 1 107 107 THR HA H 1 4.44 . . 1 . . . . . . . . 2208 1 504 . 1 1 107 107 THR C C 13 172.9 . . 1 . . . . . . . . 2208 1 505 . 1 1 107 107 THR N N 15 110 . . 1 . . . . . . . . 2208 1 506 . 1 1 108 108 ASN H H 1 7.43 . . 1 . . . . . . . . 2208 1 507 . 1 1 108 108 ASN CA C 13 55.5 . . 1 . . . . . . . . 2208 1 508 . 1 1 108 108 ASN HA H 1 4.2 . . 1 . . . . . . . . 2208 1 509 . 1 1 108 108 ASN C C 13 173.4 . . 1 . . . . . . . . 2208 1 510 . 1 1 108 108 ASN N N 15 120 . . 1 . . . . . . . . 2208 1 511 . 1 1 109 109 GLY H H 1 9.15 . . 1 . . . . . . . . 2208 1 512 . 1 1 109 109 GLY CA C 13 45.5 . . 1 . . . . . . . . 2208 1 513 . 1 1 109 109 GLY HA2 H 1 4.62 . . 1 . . . . . . . . 2208 1 514 . 1 1 109 109 GLY C C 13 170.4 . . 1 . . . . . . . . 2208 1 515 . 1 1 109 109 GLY HA3 H 1 4.62 . . 1 . . . . . . . . 2208 1 516 . 1 1 109 109 GLY N N 15 110.3 . . 1 . . . . . . . . 2208 1 517 . 1 1 110 110 SER H H 1 8.77 . . 1 . . . . . . . . 2208 1 518 . 1 1 110 110 SER CA C 13 57.1 . . 1 . . . . . . . . 2208 1 519 . 1 1 110 110 SER HA H 1 4.78 . . 1 . . . . . . . . 2208 1 520 . 1 1 110 110 SER C C 13 175.3 . . 1 . . . . . . . . 2208 1 521 . 1 1 110 110 SER N N 15 116.7 . . 1 . . . . . . . . 2208 1 522 . 1 1 111 111 GLN H H 1 8.42 . . 1 . . . . . . . . 2208 1 523 . 1 1 111 111 GLN CA C 13 57.9 . . 1 . . . . . . . . 2208 1 524 . 1 1 111 111 GLN HA H 1 4.29 . . 1 . . . . . . . . 2208 1 525 . 1 1 111 111 GLN C C 13 175.5 . . 1 . . . . . . . . 2208 1 526 . 1 1 111 111 GLN N N 15 124.5 . . 1 . . . . . . . . 2208 1 527 . 1 1 112 112 PHE H H 1 8.17 . . 1 . . . . . . . . 2208 1 528 . 1 1 112 112 PHE CA C 13 55 . . 1 . . . . . . . . 2208 1 529 . 1 1 112 112 PHE HA H 1 6.05 . . 1 . . . . . . . . 2208 1 530 . 1 1 112 112 PHE C C 13 171.4 . . 1 . . . . . . . . 2208 1 531 . 1 1 112 112 PHE N N 15 117 . . 1 . . . . . . . . 2208 1 532 . 1 1 113 113 PHE H H 1 9.83 . . 1 . . . . . . . . 2208 1 533 . 1 1 113 113 PHE CA C 13 54.7 . . 1 . . . . . . . . 2208 1 534 . 1 1 113 113 PHE HA H 1 5.85 . . 1 . . . . . . . . 2208 1 535 . 1 1 113 113 PHE C C 13 172.1 . . 1 . . . . . . . . 2208 1 536 . 1 1 113 113 PHE N N 15 114.4 . . 1 . . . . . . . . 2208 1 537 . 1 1 114 114 ILE H H 1 9.03 . . 1 . . . . . . . . 2208 1 538 . 1 1 114 114 ILE CA C 13 58.7 . . 1 . . . . . . . . 2208 1 539 . 1 1 114 114 ILE HA H 1 4.86 . . 1 . . . . . . . . 2208 1 540 . 1 1 114 114 ILE C C 13 176.7 . . 1 . . . . . . . . 2208 1 541 . 1 1 114 114 ILE N N 15 117 . . 1 . . . . . . . . 2208 1 542 . 1 1 115 115 CYS H H 1 9.5 . . 1 . . . . . . . . 2208 1 543 . 1 1 115 115 CYS CA C 13 61.1 . . 1 . . . . . . . . 2208 1 544 . 1 1 115 115 CYS HA H 1 4.58 . . 1 . . . . . . . . 2208 1 545 . 1 1 115 115 CYS C C 13 175.9 . . 1 . . . . . . . . 2208 1 546 . 1 1 115 115 CYS N N 15 124.1 . . 1 . . . . . . . . 2208 1 547 . 1 1 116 116 THR H H 1 9.05 . . 1 . . . . . . . . 2208 1 548 . 1 1 116 116 THR CA C 13 60.3 . . 1 . . . . . . . . 2208 1 549 . 1 1 116 116 THR HA H 1 4.4 . . 1 . . . . . . . . 2208 1 550 . 1 1 116 116 THR C C 13 171.9 . . 1 . . . . . . . . 2208 1 551 . 1 1 116 116 THR N N 15 115.2 . . 1 . . . . . . . . 2208 1 552 . 1 1 117 117 ALA H H 1 7.62 . . 1 . . . . . . . . 2208 1 553 . 1 1 117 117 ALA CA C 13 50.4 . . 1 . . . . . . . . 2208 1 554 . 1 1 117 117 ALA HA H 1 4.37 . . 1 . . . . . . . . 2208 1 555 . 1 1 117 117 ALA C C 13 174.5 . . 1 . . . . . . . . 2208 1 556 . 1 1 117 117 ALA N N 15 121.9 . . 1 . . . . . . . . 2208 1 557 . 1 1 118 118 LYS H H 1 8.73 . . 1 . . . . . . . . 2208 1 558 . 1 1 118 118 LYS CA C 13 57.3 . . 1 . . . . . . . . 2208 1 559 . 1 1 118 118 LYS HA H 1 3.79 . . 1 . . . . . . . . 2208 1 560 . 1 1 118 118 LYS C C 13 175.6 . . 1 . . . . . . . . 2208 1 561 . 1 1 118 118 LYS N N 15 119.3 . . 1 . . . . . . . . 2208 1 562 . 1 1 119 119 THR H H 1 7.38 . . 1 . . . . . . . . 2208 1 563 . 1 1 119 119 THR CA C 13 56.7 . . 1 . . . . . . . . 2208 1 564 . 1 1 119 119 THR HA H 1 3.55 . . 1 . . . . . . . . 2208 1 565 . 1 1 119 119 THR C C 13 174.5 . . 1 . . . . . . . . 2208 1 566 . 1 1 119 119 THR N N 15 117.4 . . 1 . . . . . . . . 2208 1 567 . 1 1 120 120 GLU H H 1 9.09 . . 1 . . . . . . . . 2208 1 568 . 1 1 120 120 GLU CA C 13 59 . . 1 . . . . . . . . 2208 1 569 . 1 1 120 120 GLU HA H 1 5.19 . . 1 . . . . . . . . 2208 1 570 . 1 1 120 120 GLU C C 13 176.6 . . 1 . . . . . . . . 2208 1 571 . 1 1 120 120 GLU N N 15 124.1 . . 1 . . . . . . . . 2208 1 572 . 1 1 121 121 TRP H H 1 7.31 . . 1 . . . . . . . . 2208 1 573 . 1 1 121 121 TRP CA C 13 59.7 . . 1 . . . . . . . . 2208 1 574 . 1 1 121 121 TRP HA H 1 4.72 . . 1 . . . . . . . . 2208 1 575 . 1 1 121 121 TRP C C 13 175.5 . . 1 . . . . . . . . 2208 1 576 . 1 1 121 121 TRP N N 15 117.8 . . 1 . . . . . . . . 2208 1 577 . 1 1 122 122 LEU H H 1 7.06 . . 1 . . . . . . . . 2208 1 578 . 1 1 122 122 LEU CA C 13 54 . . 1 . . . . . . . . 2208 1 579 . 1 1 122 122 LEU HA H 1 4.32 . . 1 . . . . . . . . 2208 1 580 . 1 1 122 122 LEU C C 13 176.5 . . 1 . . . . . . . . 2208 1 581 . 1 1 122 122 LEU N N 15 120.4 . . 1 . . . . . . . . 2208 1 582 . 1 1 123 123 ASP H H 1 7.59 . . 1 . . . . . . . . 2208 1 583 . 1 1 123 123 ASP CA C 13 55.4 . . 1 . . . . . . . . 2208 1 584 . 1 1 123 123 ASP HA H 1 5.18 . . 1 . . . . . . . . 2208 1 585 . 1 1 123 123 ASP C C 13 177.5 . . 1 . . . . . . . . 2208 1 586 . 1 1 123 123 ASP N N 15 121.9 . . 1 . . . . . . . . 2208 1 587 . 1 1 124 124 GLY H H 1 9.58 . . 1 . . . . . . . . 2208 1 588 . 1 1 124 124 GLY CA C 13 44.7 . . 1 . . . . . . . . 2208 1 589 . 1 1 124 124 GLY C C 13 171.5 . . 1 . . . . . . . . 2208 1 590 . 1 1 124 124 GLY N N 15 110.7 . . 1 . . . . . . . . 2208 1 591 . 1 1 125 125 LYS H H 1 7.59 . . 1 . . . . . . . . 2208 1 592 . 1 1 125 125 LYS CA C 13 55.9 . . 1 . . . . . . . . 2208 1 593 . 1 1 125 125 LYS HA H 1 4.06 . . 1 . . . . . . . . 2208 1 594 . 1 1 125 125 LYS C C 13 174.4 . . 1 . . . . . . . . 2208 1 595 . 1 1 125 125 LYS N N 15 114.1 . . 1 . . . . . . . . 2208 1 596 . 1 1 126 126 HIS H H 1 7.44 . . 1 . . . . . . . . 2208 1 597 . 1 1 126 126 HIS CA C 13 54.7 . . 1 . . . . . . . . 2208 1 598 . 1 1 126 126 HIS HA H 1 4.8 . . 1 . . . . . . . . 2208 1 599 . 1 1 126 126 HIS C C 13 173.2 . . 1 . . . . . . . . 2208 1 600 . 1 1 126 126 HIS N N 15 120 . . 1 . . . . . . . . 2208 1 601 . 1 1 127 127 VAL H H 1 8.25 . . 1 . . . . . . . . 2208 1 602 . 1 1 127 127 VAL CA C 13 63.4 . . 1 . . . . . . . . 2208 1 603 . 1 1 127 127 VAL HA H 1 4.24 . . 1 . . . . . . . . 2208 1 604 . 1 1 127 127 VAL C C 13 174.1 . . 1 . . . . . . . . 2208 1 605 . 1 1 127 127 VAL N N 15 124.1 . . 1 . . . . . . . . 2208 1 606 . 1 1 128 128 VAL H H 1 9.45 . . 1 . . . . . . . . 2208 1 607 . 1 1 128 128 VAL CA C 13 62.9 . . 1 . . . . . . . . 2208 1 608 . 1 1 128 128 VAL HA H 1 3.98 . . 1 . . . . . . . . 2208 1 609 . 1 1 128 128 VAL C C 13 174.4 . . 1 . . . . . . . . 2208 1 610 . 1 1 128 128 VAL N N 15 132.6 . . 1 . . . . . . . . 2208 1 611 . 1 1 129 129 PHE H H 1 8.12 . . 1 . . . . . . . . 2208 1 612 . 1 1 129 129 PHE CA C 13 55.6 . . 1 . . . . . . . . 2208 1 613 . 1 1 129 129 PHE HA H 1 5.24 . . 1 . . . . . . . . 2208 1 614 . 1 1 129 129 PHE C C 13 172.1 . . 1 . . . . . . . . 2208 1 615 . 1 1 129 129 PHE N N 15 116.7 . . 1 . . . . . . . . 2208 1 616 . 1 1 130 130 GLY H H 1 7.37 . . 1 . . . . . . . . 2208 1 617 . 1 1 130 130 GLY CA C 13 46.2 . . 1 . . . . . . . . 2208 1 618 . 1 1 130 130 GLY HA2 H 1 3.08 . . 1 . . . . . . . . 2208 1 619 . 1 1 130 130 GLY C C 13 170.1 . . 1 . . . . . . . . 2208 1 620 . 1 1 130 130 GLY HA3 H 1 3.08 . . 1 . . . . . . . . 2208 1 621 . 1 1 130 130 GLY N N 15 110 . . 1 . . . . . . . . 2208 1 622 . 1 1 131 131 LYS H H 1 8.3 . . 1 . . . . . . . . 2208 1 623 . 1 1 131 131 LYS CA C 13 54.5 . . 1 . . . . . . . . 2208 1 624 . 1 1 131 131 LYS HA H 1 5.16 . . 1 . . . . . . . . 2208 1 625 . 1 1 131 131 LYS C C 13 174.4 . . 1 . . . . . . . . 2208 1 626 . 1 1 131 131 LYS N N 15 114.4 . . 1 . . . . . . . . 2208 1 627 . 1 1 132 132 VAL H H 1 9.01 . . 1 . . . . . . . . 2208 1 628 . 1 1 132 132 VAL CA C 13 63.7 . . 1 . . . . . . . . 2208 1 629 . 1 1 132 132 VAL C C 13 174.8 . . 1 . . . . . . . . 2208 1 630 . 1 1 132 132 VAL N N 15 123.3 . . 1 . . . . . . . . 2208 1 631 . 1 1 133 133 LYS H H 1 9.45 . . 1 . . . . . . . . 2208 1 632 . 1 1 133 133 LYS CA C 13 56.4 . . 1 . . . . . . . . 2208 1 633 . 1 1 133 133 LYS HA H 1 4.42 . . 1 . . . . . . . . 2208 1 634 . 1 1 133 133 LYS C C 13 174.8 . . 1 . . . . . . . . 2208 1 635 . 1 1 133 133 LYS N N 15 131.1 . . 1 . . . . . . . . 2208 1 636 . 1 1 134 134 GLU H H 1 7.54 . . 1 . . . . . . . . 2208 1 637 . 1 1 134 134 GLU CA C 13 55 . . 1 . . . . . . . . 2208 1 638 . 1 1 134 134 GLU HA H 1 4.55 . . 1 . . . . . . . . 2208 1 639 . 1 1 134 134 GLU C C 13 174.3 . . 1 . . . . . . . . 2208 1 640 . 1 1 134 134 GLU N N 15 117.7 . . 1 . . . . . . . . 2208 1 641 . 1 1 135 135 GLY H H 1 8.7 . . 1 . . . . . . . . 2208 1 642 . 1 1 135 135 GLY CA C 13 46.1 . . 1 . . . . . . . . 2208 1 643 . 1 1 135 135 GLY HA2 H 1 4.8 . . 2 . . . . . . . . 2208 1 644 . 1 1 135 135 GLY C C 13 176.5 . . 1 . . . . . . . . 2208 1 645 . 1 1 135 135 GLY HA3 H 1 3.97 . . 2 . . . . . . . . 2208 1 646 . 1 1 135 135 GLY N N 15 107.4 . . 1 . . . . . . . . 2208 1 647 . 1 1 136 136 MET H H 1 8.88 . . 1 . . . . . . . . 2208 1 648 . 1 1 136 136 MET CA C 13 56.5 . . 1 . . . . . . . . 2208 1 649 . 1 1 136 136 MET HA H 1 4.46 . . 1 . . . . . . . . 2208 1 650 . 1 1 136 136 MET C C 13 177 . . 1 . . . . . . . . 2208 1 651 . 1 1 136 136 MET N N 15 122.9 . . 1 . . . . . . . . 2208 1 652 . 1 1 137 137 ASN H H 1 8.92 . . 1 . . . . . . . . 2208 1 653 . 1 1 137 137 ASN CA C 13 55.7 . . 1 . . . . . . . . 2208 1 654 . 1 1 137 137 ASN HA H 1 4.44 . . 1 . . . . . . . . 2208 1 655 . 1 1 137 137 ASN C C 13 176.8 . . 1 . . . . . . . . 2208 1 656 . 1 1 137 137 ASN N N 15 113.7 . . 1 . . . . . . . . 2208 1 657 . 1 1 138 138 ILE H H 1 7.65 . . 1 . . . . . . . . 2208 1 658 . 1 1 138 138 ILE CA C 13 61.1 . . 1 . . . . . . . . 2208 1 659 . 1 1 138 138 ILE HA H 1 3.75 . . 1 . . . . . . . . 2208 1 660 . 1 1 138 138 ILE C C 13 177 . . 1 . . . . . . . . 2208 1 661 . 1 1 138 138 ILE N N 15 123.7 . . 1 . . . . . . . . 2208 1 662 . 1 1 139 139 VAL H H 1 7.28 . . 1 . . . . . . . . 2208 1 663 . 1 1 139 139 VAL CA C 13 65.7 . . 1 . . . . . . . . 2208 1 664 . 1 1 139 139 VAL HA H 1 3.86 . . 1 . . . . . . . . 2208 1 665 . 1 1 139 139 VAL C C 13 177.4 . . 1 . . . . . . . . 2208 1 666 . 1 1 139 139 VAL N N 15 121.5 . . 1 . . . . . . . . 2208 1 667 . 1 1 140 140 GLU H H 1 8.31 . . 1 . . . . . . . . 2208 1 668 . 1 1 140 140 GLU CA C 13 58.9 . . 1 . . . . . . . . 2208 1 669 . 1 1 140 140 GLU HA H 1 4.67 . . 1 . . . . . . . . 2208 1 670 . 1 1 140 140 GLU C C 13 178.7 . . 1 . . . . . . . . 2208 1 671 . 1 1 140 140 GLU N N 15 117.4 . . 1 . . . . . . . . 2208 1 672 . 1 1 141 141 ALA H H 1 7.51 . . 1 . . . . . . . . 2208 1 673 . 1 1 141 141 ALA CA C 13 54.5 . . 1 . . . . . . . . 2208 1 674 . 1 1 141 141 ALA HA H 1 4.09 . . 1 . . . . . . . . 2208 1 675 . 1 1 141 141 ALA C C 13 179.9 . . 1 . . . . . . . . 2208 1 676 . 1 1 141 141 ALA N N 15 120.7 . . 1 . . . . . . . . 2208 1 677 . 1 1 142 142 MET H H 1 8.31 . . 1 . . . . . . . . 2208 1 678 . 1 1 142 142 MET CA C 13 59.3 . . 1 . . . . . . . . 2208 1 679 . 1 1 142 142 MET HA H 1 3.96 . . 1 . . . . . . . . 2208 1 680 . 1 1 142 142 MET C C 13 177.2 . . 1 . . . . . . . . 2208 1 681 . 1 1 142 142 MET N N 15 116.6 . . 1 . . . . . . . . 2208 1 682 . 1 1 143 143 GLU H H 1 7.89 . . 1 . . . . . . . . 2208 1 683 . 1 1 143 143 GLU CA C 13 58.7 . . 1 . . . . . . . . 2208 1 684 . 1 1 143 143 GLU HA H 1 3.74 . . 1 . . . . . . . . 2208 1 685 . 1 1 143 143 GLU C C 13 177.3 . . 1 . . . . . . . . 2208 1 686 . 1 1 143 143 GLU N N 15 115.9 . . 1 . . . . . . . . 2208 1 687 . 1 1 144 144 ARG H H 1 7.01 . . 1 . . . . . . . . 2208 1 688 . 1 1 144 144 ARG CA C 13 57.3 . . 1 . . . . . . . . 2208 1 689 . 1 1 144 144 ARG HA H 1 3.92 . . 1 . . . . . . . . 2208 1 690 . 1 1 144 144 ARG C C 13 176.6 . . 1 . . . . . . . . 2208 1 691 . 1 1 144 144 ARG N N 15 114.1 . . 1 . . . . . . . . 2208 1 692 . 1 1 145 145 PHE H H 1 7.63 . . 1 . . . . . . . . 2208 1 693 . 1 1 145 145 PHE CA C 13 57.7 . . 1 . . . . . . . . 2208 1 694 . 1 1 145 145 PHE HA H 1 4.79 . . 1 . . . . . . . . 2208 1 695 . 1 1 145 145 PHE C C 13 175.2 . . 1 . . . . . . . . 2208 1 696 . 1 1 145 145 PHE N N 15 114.8 . . 1 . . . . . . . . 2208 1 697 . 1 1 146 146 GLY H H 1 7.57 . . 1 . . . . . . . . 2208 1 698 . 1 1 146 146 GLY CA C 13 43.7 . . 1 . . . . . . . . 2208 1 699 . 1 1 146 146 GLY HA2 H 1 4.59 . . 2 . . . . . . . . 2208 1 700 . 1 1 146 146 GLY C C 13 171.2 . . 1 . . . . . . . . 2208 1 701 . 1 1 146 146 GLY HA3 H 1 3.61 . . 2 . . . . . . . . 2208 1 702 . 1 1 146 146 GLY N N 15 104.4 . . 1 . . . . . . . . 2208 1 703 . 1 1 147 147 SER H H 1 8.21 . . 1 . . . . . . . . 2208 1 704 . 1 1 147 147 SER CA C 13 57.8 . . 1 . . . . . . . . 2208 1 705 . 1 1 147 147 SER HA H 1 4.8 . . 1 . . . . . . . . 2208 1 706 . 1 1 147 147 SER C C 13 174.8 . . 1 . . . . . . . . 2208 1 707 . 1 1 147 147 SER N N 15 109.2 . . 1 . . . . . . . . 2208 1 708 . 1 1 148 148 ARG H H 1 8.93 . . 1 . . . . . . . . 2208 1 709 . 1 1 148 148 ARG CA C 13 59.4 . . 1 . . . . . . . . 2208 1 710 . 1 1 148 148 ARG C C 13 176.2 . . 1 . . . . . . . . 2208 1 711 . 1 1 148 148 ARG N N 15 120 . . 1 . . . . . . . . 2208 1 712 . 1 1 149 149 ASN H H 1 7.87 . . 1 . . . . . . . . 2208 1 713 . 1 1 149 149 ASN CA C 13 52.1 . . 1 . . . . . . . . 2208 1 714 . 1 1 149 149 ASN HA H 1 4.83 . . 1 . . . . . . . . 2208 1 715 . 1 1 149 149 ASN C C 13 176.2 . . 1 . . . . . . . . 2208 1 716 . 1 1 149 149 ASN N N 15 110.7 . . 1 . . . . . . . . 2208 1 717 . 1 1 150 150 GLY H H 1 8.07 . . 1 . . . . . . . . 2208 1 718 . 1 1 150 150 GLY CA C 13 44.6 . . 1 . . . . . . . . 2208 1 719 . 1 1 150 150 GLY HA2 H 1 4 . . 2 . . . . . . . . 2208 1 720 . 1 1 150 150 GLY C C 13 172.7 . . 1 . . . . . . . . 2208 1 721 . 1 1 150 150 GLY HA3 H 1 4.17 . . 2 . . . . . . . . 2208 1 722 . 1 1 150 150 GLY N N 15 110.3 . . 1 . . . . . . . . 2208 1 723 . 1 1 151 151 LYS H H 1 7.56 . . 1 . . . . . . . . 2208 1 724 . 1 1 151 151 LYS CA C 13 56.8 . . 1 . . . . . . . . 2208 1 725 . 1 1 151 151 LYS HA H 1 4.4 . . 1 . . . . . . . . 2208 1 726 . 1 1 151 151 LYS C C 13 178 . . 1 . . . . . . . . 2208 1 727 . 1 1 151 151 LYS N N 15 119.3 . . 1 . . . . . . . . 2208 1 728 . 1 1 152 152 THR H H 1 8.88 . . 1 . . . . . . . . 2208 1 729 . 1 1 152 152 THR CA C 13 59.5 . . 1 . . . . . . . . 2208 1 730 . 1 1 152 152 THR HA H 1 5.57 . . 1 . . . . . . . . 2208 1 731 . 1 1 152 152 THR C C 13 175.4 . . 1 . . . . . . . . 2208 1 732 . 1 1 152 152 THR N N 15 116.7 . . 1 . . . . . . . . 2208 1 733 . 1 1 153 153 SER H H 1 9.47 . . 1 . . . . . . . . 2208 1 734 . 1 1 153 153 SER CA C 13 58.7 . . 1 . . . . . . . . 2208 1 735 . 1 1 153 153 SER HA H 1 4.42 . . 1 . . . . . . . . 2208 1 736 . 1 1 153 153 SER C C 13 174 . . 1 . . . . . . . . 2208 1 737 . 1 1 153 153 SER N N 15 117.4 . . 1 . . . . . . . . 2208 1 738 . 1 1 154 154 LYS H H 1 7.54 . . 1 . . . . . . . . 2208 1 739 . 1 1 154 154 LYS CA C 13 54.3 . . 1 . . . . . . . . 2208 1 740 . 1 1 154 154 LYS HA H 1 4.53 . . 1 . . . . . . . . 2208 1 741 . 1 1 154 154 LYS C C 13 173.8 . . 1 . . . . . . . . 2208 1 742 . 1 1 154 154 LYS N N 15 118.5 . . 1 . . . . . . . . 2208 1 743 . 1 1 155 155 LYS H H 1 8.8 . . 1 . . . . . . . . 2208 1 744 . 1 1 155 155 LYS CA C 13 56.2 . . 1 . . . . . . . . 2208 1 745 . 1 1 155 155 LYS HA H 1 4.3 . . 1 . . . . . . . . 2208 1 746 . 1 1 155 155 LYS C C 13 175.5 . . 1 . . . . . . . . 2208 1 747 . 1 1 155 155 LYS N N 15 121.1 . . 1 . . . . . . . . 2208 1 748 . 1 1 156 156 ILE H H 1 9.63 . . 1 . . . . . . . . 2208 1 749 . 1 1 156 156 ILE CA C 13 58.8 . . 1 . . . . . . . . 2208 1 750 . 1 1 156 156 ILE HA H 1 5.08 . . 1 . . . . . . . . 2208 1 751 . 1 1 156 156 ILE C C 13 175.8 . . 1 . . . . . . . . 2208 1 752 . 1 1 156 156 ILE N N 15 133.7 . . 1 . . . . . . . . 2208 1 753 . 1 1 157 157 THR H H 1 9.23 . . 1 . . . . . . . . 2208 1 754 . 1 1 157 157 THR CA C 13 59.1 . . 1 . . . . . . . . 2208 1 755 . 1 1 157 157 THR HA H 1 5.3 . . 1 . . . . . . . . 2208 1 756 . 1 1 157 157 THR C C 13 173 . . 1 . . . . . . . . 2208 1 757 . 1 1 157 157 THR N N 15 117 . . 1 . . . . . . . . 2208 1 758 . 1 1 158 158 ILE H H 1 8.58 . . 1 . . . . . . . . 2208 1 759 . 1 1 158 158 ILE CA C 13 60.5 . . 1 . . . . . . . . 2208 1 760 . 1 1 158 158 ILE HA H 1 4.22 . . 1 . . . . . . . . 2208 1 761 . 1 1 158 158 ILE C C 13 174 . . 1 . . . . . . . . 2208 1 762 . 1 1 158 158 ILE N N 15 121.1 . . 1 . . . . . . . . 2208 1 763 . 1 1 159 159 ALA H H 1 8.86 . . 1 . . . . . . . . 2208 1 764 . 1 1 159 159 ALA CA C 13 53.9 . . 1 . . . . . . . . 2208 1 765 . 1 1 159 159 ALA HA H 1 4.12 . . 1 . . . . . . . . 2208 1 766 . 1 1 159 159 ALA C C 13 177.9 . . 1 . . . . . . . . 2208 1 767 . 1 1 159 159 ALA N N 15 131.9 . . 1 . . . . . . . . 2208 1 768 . 1 1 160 160 ASP H H 1 8.06 . . 1 . . . . . . . . 2208 1 769 . 1 1 160 160 ASP CA C 13 52.4 . . 1 . . . . . . . . 2208 1 770 . 1 1 160 160 ASP HA H 1 4.87 . . 1 . . . . . . . . 2208 1 771 . 1 1 160 160 ASP C C 13 172.2 . . 1 . . . . . . . . 2208 1 772 . 1 1 160 160 ASP N N 15 110.7 . . 1 . . . . . . . . 2208 1 773 . 1 1 161 161 CYS H H 1 8.59 . . 1 . . . . . . . . 2208 1 774 . 1 1 161 161 CYS CA C 13 55 . . 1 . . . . . . . . 2208 1 775 . 1 1 161 161 CYS HA H 1 4.53 . . 1 . . . . . . . . 2208 1 776 . 1 1 161 161 CYS C C 13 171.9 . . 1 . . . . . . . . 2208 1 777 . 1 1 161 161 CYS N N 15 115.5 . . 1 . . . . . . . . 2208 1 778 . 1 1 162 162 GLY H H 1 6.85 . . 1 . . . . . . . . 2208 1 779 . 1 1 162 162 GLY CA C 13 45.1 . . 1 . . . . . . . . 2208 1 780 . 1 1 162 162 GLY HA2 H 1 3.51 . . 1 . . . . . . . . 2208 1 781 . 1 1 162 162 GLY C C 13 169.6 . . 1 . . . . . . . . 2208 1 782 . 1 1 162 162 GLY HA3 H 1 3.51 . . 1 . . . . . . . . 2208 1 783 . 1 1 162 162 GLY N N 15 104 . . 1 . . . . . . . . 2208 1 784 . 1 1 163 163 GLN H H 1 9.09 . . 1 . . . . . . . . 2208 1 785 . 1 1 163 163 GLN CA C 13 54.8 . . 1 . . . . . . . . 2208 1 786 . 1 1 163 163 GLN HA H 1 5.05 . . 1 . . . . . . . . 2208 1 787 . 1 1 163 163 GLN C C 13 174.8 . . 1 . . . . . . . . 2208 1 788 . 1 1 163 163 GLN N N 15 120.4 . . 1 . . . . . . . . 2208 1 789 . 1 1 164 164 LEU H H 1 8.59 . . 1 . . . . . . . . 2208 1 790 . 1 1 164 164 LEU CA C 13 54.5 . . 1 . . . . . . . . 2208 1 791 . 1 1 164 164 LEU HA H 1 4.62 . . 1 . . . . . . . . 2208 1 792 . 1 1 164 164 LEU C C 13 175.5 . . 1 . . . . . . . . 2208 1 793 . 1 1 164 164 LEU N N 15 125.6 . . 1 . . . . . . . . 2208 1 794 . 1 1 165 165 GLU H H 1 8.15 . . 1 . . . . . . . . 2208 1 795 . 1 1 165 165 GLU CA C 13 57.8 . . 1 . . . . . . . . 2208 1 796 . 1 1 165 165 GLU HA H 1 4.15 . . 1 . . . . . . . . 2208 1 797 . 1 1 165 165 GLU N N 15 125.6 . . 1 . . . . . . . . 2208 1 stop_ save_