data_5355 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5355 _Entry.Title ; Backbone resonance assignments of the 25kD N-terminal ATPase domain from the Hsp90 chaperone ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-04-27 _Entry.Accession_date 2002-04-29 _Entry.Last_release_date 2002-09-25 _Entry.Original_release_date 2002-09-25 _Entry.Origination author _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 Mark Williams . A. . 5355 2 Reza Salek . M. . 5355 3 John Ladbury . E. . 5355 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5355 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 394 5355 '13C chemical shifts' 572 5355 '15N chemical shifts' 192 5355 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-09-25 2002-04-27 original author . 5355 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5355 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Backbone resonance assignments of the 25kD N-terminal ATPase domain from the Hsp90 chaperone ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 23 _Citation.Journal_issue 4 _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 327 _Citation.Page_last 328 _Citation.Year 2002 _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 Reza Salek . M. . 5355 1 2 Mark Williams . A. . 5355 1 3 Christosmos Prodromou . . . 5355 1 4 Laurence Pearl . H. . 5355 1 5 John Ladbury . E. . 5355 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Hsp90 5355 1 'heat shock protein' 5355 1 'Saccharomyces Cerevisiae' 5355 1 'heteronuclear NMR' 5355 1 'resonance assignments' 5355 1 stop_ save_ save_ref_1 _Citation.Sf_category citations _Citation.Sf_framecode ref_1 _Citation.Entry_ID 5355 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 11868271 _Citation.Full_citation ; Pearl LH, Prodromou C. Structure, function, and mechanism of the Hsp90 molecular chaperone. Adv Protein Chem. 2001;59:157-86. ; _Citation.Title 'Structure, function, and mechanism of the Hsp90 molecular chaperone.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Adv. Protein Chem.' _Citation.Journal_name_full 'Advances in protein chemistry' _Citation.Journal_volume 59 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 0065-3233 _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 157 _Citation.Page_last 186 _Citation.Year 2001 _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 'L H' Pearl L. H. . 5355 2 2 C Prodromou C. . . 5355 2 stop_ save_ save_ref_2 _Citation.Sf_category citations _Citation.Sf_framecode ref_2 _Citation.Entry_ID 5355 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 9230303 _Citation.Full_citation ; Prodromou C, Roe SM, O'Brien R, Ladbury JE, Piper PW, Pearl LH. Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone. Cell. 1997 Jul 11;90(1):65-75. ; _Citation.Title 'Identification and structural characterization of the ATP/ADP-binding site in the Hsp90 molecular chaperone.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Cell _Citation.Journal_name_full Cell _Citation.Journal_volume 90 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0092-8674 _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 65 _Citation.Page_last 75 _Citation.Year 1997 _Citation.Details ; Hsp90 molecular chaperones in eukaryotic cells play essential roles in the folding and activation of a range of client proteins involved in cell cycle regulation, steroid hormone responsiveness, and signal transduction. The biochemical mechanism of Hsp90 is poorly understood, and the involvement of ATP in particular is controversial. Crystal structures of complexes between the N-terminal domain of the yeast Hsp90 chaperone and ADP/ATP unambiguously identify a specific adenine nucleotide binding site homologous to the ATP-binding site of DNA gyrase B. This site is the same as that identified for the antitumor agent geldanamycin, suggesting that geldanamycin acts by blocking the binding of nucleotides to Hsp90 and not the binding of incompletely folded client polypeptides as previously suggested. These results finally resolve the question of the direct involvement of ATP in Hsp90 function. ; 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 C Prodromou C. . . 5355 3 2 'S M' Roe S. M. . 5355 3 3 R O'Brien R. . . 5355 3 4 'J E' Ladbury J. E. . 5355 3 5 'P W' Piper P. W. . 5355 3 6 'L H' Pearl L. H. . 5355 3 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Hsp90 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Hsp90 _Assembly.Entry_ID 5355 _Assembly.ID 1 _Assembly.Name 'Hsp90 N-terminal ATPase domain' _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 no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number 3.4.6.10 _Assembly.Details ; The system reported consists of residues 1 to 207 of the sequence entry, plus an N-terminal hexahistidine-tag (MRGSHHHHHHG). ; _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5355 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'Hsp90 N-terminal ATPase domain' 1 $Hsp90 . . . native . . . . . 5355 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes SWISS-PROT P02829 . . . . . . 5355 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hsp90 N-terminal ATPase domain' system 5355 1 Hsp90 abbreviation 5355 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'molecular chaperone' 5355 1 'heat shock protein' 5355 1 ATPase 5355 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Hsp90 _Entity.Sf_category entity _Entity.Sf_framecode Hsp90 _Entity.Entry_ID 5355 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Heat shock protein 90 N-terminal domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MRGSHHHHHHGMASETFEFQ AEITQLMSLIINTVYSNKEI FLRELISNASDALDKIRYKS LSDPKQLETEPDLFIRITPK PEQKVLEIRDSGIGMTKAEL INNLGTIAKSGTKAFMEALS AGADVSMIGQFGVGFYSLFL VADRVQVISKSNDDEQYIWE SNAGGSFTVTLDEVNERIGR GTILRLFLKDDQLEYLEEKR IKEVIKRHSEFVAYPIQL ; _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 218 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 24709 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1A4H . "Structure Of The N-Terminal Domain Of The Yeast Hsp90 Chaperone In Complex With Geldanamycin" . . . . . 100.00 230 99.54 99.54 8.49e-155 . . . . 5355 1 2 no PDB 1AH6 . "Structure Of The Tetragonal Form Of The N-Terminal Domain Of The Yeast Hsp90 Chaperone" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 3 no PDB 1AH8 . "Structure Of The Orthorhombic Form Of The N-Terminal Domain Of The Yeast Hsp90 Chaperone" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 4 no PDB 1AM1 . "Atp Binding Site In The Hsp90 Molecular Chaperone" . . . . . 94.50 213 100.00 100.00 4.16e-146 . . . . 5355 1 5 no PDB 1AMW . "Adp Binding Site In The Hsp90 Molecular Chaperone" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 6 no PDB 1BGQ . "Radicicol Bound To The Atp Binding Site Of The N-Terminal Domain Of The Yeast Hsp90 Chaperone" . . . . . 100.00 225 100.00 100.00 1.00e-157 . . . . 5355 1 7 no PDB 1US7 . "Complex Of Hsp90 And P50" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 8 no PDB 2AKP . "Hsp90 Delta24-n210 Mutant" . . . . . 83.94 186 100.00 100.00 1.83e-128 . . . . 5355 1 9 no PDB 2BRC . "Structure Of A Hsp90 Inhibitor Bound To The N-Terminus Of Yeast Hsp90." . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 10 no PDB 2BRE . "Structure Of A Hsp90 Inhibitor Bound To The N-Terminus Of Yeast Hsp90." . . . . . 94.95 219 100.00 100.00 4.85e-147 . . . . 5355 1 11 no PDB 2CG9 . "Crystal Structure Of An Hsp90-Sba1 Closed Chaperone Complex" . . . . . 94.95 677 100.00 100.00 1.95e-141 . . . . 5355 1 12 no PDB 2CGF . "A Radicicol Analogue Bound To The Atp Binding Site Of The N- Terminal Domain Of The Yeast Hsp90 Chaperone" . . . . . 100.00 225 99.54 100.00 3.45e-157 . . . . 5355 1 13 no PDB 2IWS . "Radicicol Analogues Bound To The Atp Site Of Hsp90" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 14 no PDB 2IWU . "Analogues Of Radicicol Bound To The Atp-Binding Site Of Hsp90" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 15 no PDB 2IWX . "Analogues Of Radicicol Bound To The Atp-Binding Site Of Hsp90." . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 16 no PDB 2VW5 . "Structure Of The Hsp90 Inhibitor 7-O-Carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 17 no PDB 2VWC . "Structure Of The Hsp90 Inhibitor Macbecin Bound To The N- Terminus Of Yeast Hsp90" . . . . . 94.95 219 100.00 100.00 4.85e-147 . . . . 5355 1 18 no PDB 2WEP . "Yeast Hsp90 N-Terminal Domain Li-Iv Mutant With Adp" . . . . . 94.95 220 99.03 100.00 2.43e-146 . . . . 5355 1 19 no PDB 2WEQ . "Yeast Hsp90 N-Terminal Domain Li-Iv Mutant With Geldanamycin" . . . . . 94.95 220 99.03 100.00 2.43e-146 . . . . 5355 1 20 no PDB 2WER . "Yeast Hsp90 N-Terminal Domain Li-Iv Mutant With Radicicol" . . . . . 94.95 220 99.03 100.00 2.43e-146 . . . . 5355 1 21 no PDB 2XD6 . "Hsp90 Complexed With A Resorcylic Acid Macrolactone." . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 22 no PDB 2XX2 . "Macrolactone Inhibitor Bound To Hsp90 N-Term" . . . . . 94.50 214 100.00 100.00 4.31e-146 . . . . 5355 1 23 no PDB 2XX4 . "Macrolactone Inhibitor Bound To Hsp90 N-Term" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 24 no PDB 2XX5 . "Macrolactone Inhibitor Bound To Hsp90 N-Term" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 25 no PDB 2YGA . "E88g-n92l Mutant Of N-term Hsp90 Complexed With Geldanamycin" . . . . . 94.50 220 99.03 99.03 3.16e-143 . . . . 5355 1 26 no PDB 2YGE . "E88g-n92l Mutant Of N-term Hsp90 Complexed With Geldanamycin" . . . . . 94.50 220 99.03 99.51 9.78e-145 . . . . 5355 1 27 no PDB 2YGF . "L89v, L93i And V136m Mutant Of N-term Hsp90 Complexed With Geldanamycin" . . . . . 94.95 220 98.55 100.00 2.12e-145 . . . . 5355 1 28 no PDB 4AS9 . "The Structure Of Modified Benzoquinone Ansamycins Bound To Yeast N-terminal Hsp90" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 29 no PDB 4ASA . "The Structure Of Modified Benzoquinone Ansamycins Bound To Yeast N-terminal Hsp90" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 30 no PDB 4ASB . "The Structure Of Modified Benzoquinone Ansamycins Bound To Yeast N-terminal Hsp90" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 31 no PDB 4ASF . "The Structure Of Modified Benzoquinone Ansamycins Bound To Yeast N-terminal Hsp90" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 32 no PDB 4ASG . "The Structure Of Modified Benzoquinone Ansamycins Bound To Yeast N-terminal Hsp90" . . . . . 94.95 220 100.00 100.00 7.96e-147 . . . . 5355 1 33 no PDB 4CE1 . "Hsp90 N-terminal Domain Bound To Macrolactam Analogues Of Radicicol." . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 34 no PDB 4CE2 . "Hsp90 N-terminal Domain Bound To Macrolactam Analogues Of Radicicol." . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 35 no PDB 4CE3 . "Hsp90 N-terminal Domain Bound To Macrolactam Analogues Of Radicicol" . . . . . 94.95 214 100.00 100.00 3.64e-147 . . . . 5355 1 36 no DBJ GAA26739 . "K7_Hsp82p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 94.95 709 100.00 100.00 3.44e-141 . . . . 5355 1 37 no EMBL CAA91604 . "HSP90/HSP82? [Saccharomyces cerevisiae]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 38 no EMBL CAA97961 . "HSP82 [Saccharomyces cerevisiae]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 39 no EMBL CAY86720 . "Hsp82p [Saccharomyces cerevisiae EC1118]" . . . . . 94.95 709 99.52 100.00 1.21e-140 . . . . 5355 1 40 no GB AAA02743 . "hsp82 protein [Saccharomyces cerevisiae]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 41 no GB AHY77944 . "Hsp82p [Saccharomyces cerevisiae YJM993]" . . . . . 94.95 705 98.55 100.00 8.44e-140 . . . . 5355 1 42 no GB EDN60908 . "heat shock protein 90 [Saccharomyces cerevisiae YJM789]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 43 no GB EDV10990 . "heat shock protein 90 [Saccharomyces cerevisiae RM11-1a]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 44 no GB EDZ70041 . "YMR186Wp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 56.88 622 97.58 100.00 1.61e-76 . . . . 5355 1 45 no REF NP_015084 . "Hsp90 family chaperone HSP82 [Saccharomyces cerevisiae S288c]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 46 no SP P02829 . "RecName: Full=ATP-dependent molecular chaperone HSP82; AltName: Full=82 kDa heat shock protein; AltName: Full=Heat shock protei" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 47 no TPG DAA11197 . "TPA: Hsp90 family chaperone HSP82 [Saccharomyces cerevisiae S288c]" . . . . . 94.95 709 100.00 100.00 3.83e-141 . . . . 5355 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Heat shock protein 90 N-terminal domain' common 5355 1 'Hsp90 ATPase' abbreviation 5355 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 -10 MET . 5355 1 2 -9 ARG . 5355 1 3 -8 GLY . 5355 1 4 -7 SER . 5355 1 5 -6 HIS . 5355 1 6 -5 HIS . 5355 1 7 -4 HIS . 5355 1 8 -3 HIS . 5355 1 9 -2 HIS . 5355 1 10 -1 HIS . 5355 1 11 0 GLY . 5355 1 12 1 MET . 5355 1 13 2 ALA . 5355 1 14 3 SER . 5355 1 15 4 GLU . 5355 1 16 5 THR . 5355 1 17 6 PHE . 5355 1 18 7 GLU . 5355 1 19 8 PHE . 5355 1 20 9 GLN . 5355 1 21 10 ALA . 5355 1 22 11 GLU . 5355 1 23 12 ILE . 5355 1 24 13 THR . 5355 1 25 14 GLN . 5355 1 26 15 LEU . 5355 1 27 16 MET . 5355 1 28 17 SER . 5355 1 29 18 LEU . 5355 1 30 19 ILE . 5355 1 31 20 ILE . 5355 1 32 21 ASN . 5355 1 33 22 THR . 5355 1 34 23 VAL . 5355 1 35 24 TYR . 5355 1 36 25 SER . 5355 1 37 26 ASN . 5355 1 38 27 LYS . 5355 1 39 28 GLU . 5355 1 40 29 ILE . 5355 1 41 30 PHE . 5355 1 42 31 LEU . 5355 1 43 32 ARG . 5355 1 44 33 GLU . 5355 1 45 34 LEU . 5355 1 46 35 ILE . 5355 1 47 36 SER . 5355 1 48 37 ASN . 5355 1 49 38 ALA . 5355 1 50 39 SER . 5355 1 51 40 ASP . 5355 1 52 41 ALA . 5355 1 53 42 LEU . 5355 1 54 43 ASP . 5355 1 55 44 LYS . 5355 1 56 45 ILE . 5355 1 57 46 ARG . 5355 1 58 47 TYR . 5355 1 59 48 LYS . 5355 1 60 49 SER . 5355 1 61 50 LEU . 5355 1 62 51 SER . 5355 1 63 52 ASP . 5355 1 64 53 PRO . 5355 1 65 54 LYS . 5355 1 66 55 GLN . 5355 1 67 56 LEU . 5355 1 68 57 GLU . 5355 1 69 58 THR . 5355 1 70 59 GLU . 5355 1 71 60 PRO . 5355 1 72 61 ASP . 5355 1 73 62 LEU . 5355 1 74 63 PHE . 5355 1 75 64 ILE . 5355 1 76 65 ARG . 5355 1 77 66 ILE . 5355 1 78 67 THR . 5355 1 79 68 PRO . 5355 1 80 69 LYS . 5355 1 81 70 PRO . 5355 1 82 71 GLU . 5355 1 83 72 GLN . 5355 1 84 73 LYS . 5355 1 85 74 VAL . 5355 1 86 75 LEU . 5355 1 87 76 GLU . 5355 1 88 77 ILE . 5355 1 89 78 ARG . 5355 1 90 79 ASP . 5355 1 91 80 SER . 5355 1 92 81 GLY . 5355 1 93 82 ILE . 5355 1 94 83 GLY . 5355 1 95 84 MET . 5355 1 96 85 THR . 5355 1 97 86 LYS . 5355 1 98 87 ALA . 5355 1 99 88 GLU . 5355 1 100 89 LEU . 5355 1 101 90 ILE . 5355 1 102 91 ASN . 5355 1 103 92 ASN . 5355 1 104 93 LEU . 5355 1 105 94 GLY . 5355 1 106 95 THR . 5355 1 107 96 ILE . 5355 1 108 97 ALA . 5355 1 109 98 LYS . 5355 1 110 99 SER . 5355 1 111 100 GLY . 5355 1 112 101 THR . 5355 1 113 102 LYS . 5355 1 114 103 ALA . 5355 1 115 104 PHE . 5355 1 116 105 MET . 5355 1 117 106 GLU . 5355 1 118 107 ALA . 5355 1 119 108 LEU . 5355 1 120 109 SER . 5355 1 121 110 ALA . 5355 1 122 111 GLY . 5355 1 123 112 ALA . 5355 1 124 113 ASP . 5355 1 125 114 VAL . 5355 1 126 115 SER . 5355 1 127 116 MET . 5355 1 128 117 ILE . 5355 1 129 118 GLY . 5355 1 130 119 GLN . 5355 1 131 120 PHE . 5355 1 132 121 GLY . 5355 1 133 122 VAL . 5355 1 134 123 GLY . 5355 1 135 124 PHE . 5355 1 136 125 TYR . 5355 1 137 126 SER . 5355 1 138 127 LEU . 5355 1 139 128 PHE . 5355 1 140 129 LEU . 5355 1 141 130 VAL . 5355 1 142 131 ALA . 5355 1 143 132 ASP . 5355 1 144 133 ARG . 5355 1 145 134 VAL . 5355 1 146 135 GLN . 5355 1 147 136 VAL . 5355 1 148 137 ILE . 5355 1 149 138 SER . 5355 1 150 139 LYS . 5355 1 151 140 SER . 5355 1 152 141 ASN . 5355 1 153 142 ASP . 5355 1 154 143 ASP . 5355 1 155 144 GLU . 5355 1 156 145 GLN . 5355 1 157 146 TYR . 5355 1 158 147 ILE . 5355 1 159 148 TRP . 5355 1 160 149 GLU . 5355 1 161 150 SER . 5355 1 162 151 ASN . 5355 1 163 152 ALA . 5355 1 164 153 GLY . 5355 1 165 154 GLY . 5355 1 166 155 SER . 5355 1 167 156 PHE . 5355 1 168 157 THR . 5355 1 169 158 VAL . 5355 1 170 159 THR . 5355 1 171 160 LEU . 5355 1 172 161 ASP . 5355 1 173 162 GLU . 5355 1 174 163 VAL . 5355 1 175 164 ASN . 5355 1 176 165 GLU . 5355 1 177 166 ARG . 5355 1 178 167 ILE . 5355 1 179 168 GLY . 5355 1 180 169 ARG . 5355 1 181 170 GLY . 5355 1 182 171 THR . 5355 1 183 172 ILE . 5355 1 184 173 LEU . 5355 1 185 174 ARG . 5355 1 186 175 LEU . 5355 1 187 176 PHE . 5355 1 188 177 LEU . 5355 1 189 178 LYS . 5355 1 190 179 ASP . 5355 1 191 180 ASP . 5355 1 192 181 GLN . 5355 1 193 182 LEU . 5355 1 194 183 GLU . 5355 1 195 184 TYR . 5355 1 196 185 LEU . 5355 1 197 186 GLU . 5355 1 198 187 GLU . 5355 1 199 188 LYS . 5355 1 200 189 ARG . 5355 1 201 190 ILE . 5355 1 202 191 LYS . 5355 1 203 192 GLU . 5355 1 204 193 VAL . 5355 1 205 194 ILE . 5355 1 206 195 LYS . 5355 1 207 196 ARG . 5355 1 208 197 HIS . 5355 1 209 198 SER . 5355 1 210 199 GLU . 5355 1 211 200 PHE . 5355 1 212 201 VAL . 5355 1 213 202 ALA . 5355 1 214 203 TYR . 5355 1 215 204 PRO . 5355 1 216 205 ILE . 5355 1 217 206 GLN . 5355 1 218 207 LEU . 5355 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 5355 1 . ARG 2 2 5355 1 . GLY 3 3 5355 1 . SER 4 4 5355 1 . HIS 5 5 5355 1 . HIS 6 6 5355 1 . HIS 7 7 5355 1 . HIS 8 8 5355 1 . HIS 9 9 5355 1 . HIS 10 10 5355 1 . GLY 11 11 5355 1 . MET 12 12 5355 1 . ALA 13 13 5355 1 . SER 14 14 5355 1 . GLU 15 15 5355 1 . THR 16 16 5355 1 . PHE 17 17 5355 1 . GLU 18 18 5355 1 . PHE 19 19 5355 1 . GLN 20 20 5355 1 . ALA 21 21 5355 1 . GLU 22 22 5355 1 . ILE 23 23 5355 1 . THR 24 24 5355 1 . GLN 25 25 5355 1 . LEU 26 26 5355 1 . MET 27 27 5355 1 . SER 28 28 5355 1 . LEU 29 29 5355 1 . ILE 30 30 5355 1 . ILE 31 31 5355 1 . ASN 32 32 5355 1 . THR 33 33 5355 1 . VAL 34 34 5355 1 . TYR 35 35 5355 1 . SER 36 36 5355 1 . ASN 37 37 5355 1 . LYS 38 38 5355 1 . GLU 39 39 5355 1 . ILE 40 40 5355 1 . PHE 41 41 5355 1 . LEU 42 42 5355 1 . ARG 43 43 5355 1 . GLU 44 44 5355 1 . LEU 45 45 5355 1 . ILE 46 46 5355 1 . SER 47 47 5355 1 . ASN 48 48 5355 1 . ALA 49 49 5355 1 . SER 50 50 5355 1 . ASP 51 51 5355 1 . ALA 52 52 5355 1 . LEU 53 53 5355 1 . ASP 54 54 5355 1 . LYS 55 55 5355 1 . ILE 56 56 5355 1 . ARG 57 57 5355 1 . TYR 58 58 5355 1 . LYS 59 59 5355 1 . SER 60 60 5355 1 . LEU 61 61 5355 1 . SER 62 62 5355 1 . ASP 63 63 5355 1 . PRO 64 64 5355 1 . LYS 65 65 5355 1 . GLN 66 66 5355 1 . LEU 67 67 5355 1 . GLU 68 68 5355 1 . THR 69 69 5355 1 . GLU 70 70 5355 1 . PRO 71 71 5355 1 . ASP 72 72 5355 1 . LEU 73 73 5355 1 . PHE 74 74 5355 1 . ILE 75 75 5355 1 . ARG 76 76 5355 1 . ILE 77 77 5355 1 . THR 78 78 5355 1 . PRO 79 79 5355 1 . LYS 80 80 5355 1 . PRO 81 81 5355 1 . GLU 82 82 5355 1 . GLN 83 83 5355 1 . LYS 84 84 5355 1 . VAL 85 85 5355 1 . LEU 86 86 5355 1 . GLU 87 87 5355 1 . ILE 88 88 5355 1 . ARG 89 89 5355 1 . ASP 90 90 5355 1 . SER 91 91 5355 1 . GLY 92 92 5355 1 . ILE 93 93 5355 1 . GLY 94 94 5355 1 . MET 95 95 5355 1 . THR 96 96 5355 1 . LYS 97 97 5355 1 . ALA 98 98 5355 1 . GLU 99 99 5355 1 . LEU 100 100 5355 1 . ILE 101 101 5355 1 . ASN 102 102 5355 1 . ASN 103 103 5355 1 . LEU 104 104 5355 1 . GLY 105 105 5355 1 . THR 106 106 5355 1 . ILE 107 107 5355 1 . ALA 108 108 5355 1 . LYS 109 109 5355 1 . SER 110 110 5355 1 . GLY 111 111 5355 1 . THR 112 112 5355 1 . LYS 113 113 5355 1 . ALA 114 114 5355 1 . PHE 115 115 5355 1 . MET 116 116 5355 1 . GLU 117 117 5355 1 . ALA 118 118 5355 1 . LEU 119 119 5355 1 . SER 120 120 5355 1 . ALA 121 121 5355 1 . GLY 122 122 5355 1 . ALA 123 123 5355 1 . ASP 124 124 5355 1 . VAL 125 125 5355 1 . SER 126 126 5355 1 . MET 127 127 5355 1 . ILE 128 128 5355 1 . GLY 129 129 5355 1 . GLN 130 130 5355 1 . PHE 131 131 5355 1 . GLY 132 132 5355 1 . VAL 133 133 5355 1 . GLY 134 134 5355 1 . PHE 135 135 5355 1 . TYR 136 136 5355 1 . SER 137 137 5355 1 . LEU 138 138 5355 1 . PHE 139 139 5355 1 . LEU 140 140 5355 1 . VAL 141 141 5355 1 . ALA 142 142 5355 1 . ASP 143 143 5355 1 . ARG 144 144 5355 1 . VAL 145 145 5355 1 . GLN 146 146 5355 1 . VAL 147 147 5355 1 . ILE 148 148 5355 1 . SER 149 149 5355 1 . LYS 150 150 5355 1 . SER 151 151 5355 1 . ASN 152 152 5355 1 . ASP 153 153 5355 1 . ASP 154 154 5355 1 . GLU 155 155 5355 1 . GLN 156 156 5355 1 . TYR 157 157 5355 1 . ILE 158 158 5355 1 . TRP 159 159 5355 1 . GLU 160 160 5355 1 . SER 161 161 5355 1 . ASN 162 162 5355 1 . ALA 163 163 5355 1 . GLY 164 164 5355 1 . GLY 165 165 5355 1 . SER 166 166 5355 1 . PHE 167 167 5355 1 . THR 168 168 5355 1 . VAL 169 169 5355 1 . THR 170 170 5355 1 . LEU 171 171 5355 1 . ASP 172 172 5355 1 . GLU 173 173 5355 1 . VAL 174 174 5355 1 . ASN 175 175 5355 1 . GLU 176 176 5355 1 . ARG 177 177 5355 1 . ILE 178 178 5355 1 . GLY 179 179 5355 1 . ARG 180 180 5355 1 . GLY 181 181 5355 1 . THR 182 182 5355 1 . ILE 183 183 5355 1 . LEU 184 184 5355 1 . ARG 185 185 5355 1 . LEU 186 186 5355 1 . PHE 187 187 5355 1 . LEU 188 188 5355 1 . LYS 189 189 5355 1 . ASP 190 190 5355 1 . ASP 191 191 5355 1 . GLN 192 192 5355 1 . LEU 193 193 5355 1 . GLU 194 194 5355 1 . TYR 195 195 5355 1 . LEU 196 196 5355 1 . GLU 197 197 5355 1 . GLU 198 198 5355 1 . LYS 199 199 5355 1 . ARG 200 200 5355 1 . ILE 201 201 5355 1 . LYS 202 202 5355 1 . GLU 203 203 5355 1 . VAL 204 204 5355 1 . ILE 205 205 5355 1 . LYS 206 206 5355 1 . ARG 207 207 5355 1 . HIS 208 208 5355 1 . SER 209 209 5355 1 . GLU 210 210 5355 1 . PHE 211 211 5355 1 . VAL 212 212 5355 1 . ALA 213 213 5355 1 . TYR 214 214 5355 1 . PRO 215 215 5355 1 . ILE 216 216 5355 1 . GLN 217 217 5355 1 . LEU 218 218 5355 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 5355 _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 $Hsp90 . 4932 . . 'Saccharomyces cerevisiae' 'Baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae S288c . . . . . . . . . . . . . . . . . . . . 5355 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 5355 _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 $Hsp90 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)pLysS . . . . . . . . . . . . plasmid . . PET . . . . . . 5355 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5355 _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Heat shock protein 90 N-terminal domain' '[U-98% 13C; U-98% 15N; U-70% 2H]' . . 1 $Hsp90 . . 0.5 . . mM . . . . 5355 1 2 Tris . . . . . . . 20 . . mM . . . . 5355 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5355 _Sample.ID 2 _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 . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Heat shock protein 90 N-terminal domain' '[U-98% 15N]' . . 1 $Hsp90 . . 0.5 . . mM . . . . 5355 2 2 Tris . . . . . . . 20.0 . . mM . . . . 5355 2 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5355 _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* 8.0 0.1 na 5355 1 temperature 298 0.2 K 5355 1 'ionic strength' 0.0435 0.001 M 5355 1 stop_ save_ ############################ # Computer software used # ############################ save_NmrPipe _Software.Sf_category software _Software.Sf_framecode NmrPipe _Software.Entry_ID 5355 _Software.ID 1 _Software.Name NmrPipe _Software.Version 2.1 _Software.Details ; Delaglio, F., Grzesiek, S., Vuister, G.W., Pfeifer, J. and Bax, A. J. Biomol. NMR 6, 277-293 (1995)." ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral processing' 5355 1 stop_ save_ save_type_prob-seq_prob _Software.Sf_category software _Software.Sf_framecode type_prob-seq_prob _Software.Entry_ID 5355 _Software.ID 2 _Software.Name type_prob-seq_prob _Software.Version 1.0 _Software.Details ; Grzesiek, S. and Bax, A. J Biomol. NMR 3, 185-204 (1993). ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'amino acid type determination' 5355 2 'sequential assignment' 5355 2 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 5355 _Software.ID 3 _Software.Name ANSIG _Software.Version 3.3 _Software.Details ; Kraulis, P.J., Domaille, P.J., Campbell-Burke, S.L., van Aken, T. and Laue, E.D. Biochemistry 33, 3515-3531 (1994)." ; loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'spectral visualization' 5355 3 analysis 5355 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5355 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5355 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 5355 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5355 _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 NMR_spectrometer_1 Varian UnityPlus . 500 . . . 5355 1 2 NMR_spectrometer_2 Varian UnityPlus . 600 . . . 5355 1 3 NMR_spectrometer_3 Varian INOVA . 800 . . . 5355 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 5355 _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 '1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 2 '1H-13C HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 3 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 4 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 5 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 6 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 7 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 8 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 9 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 10 HN(CA)CO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5355 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-13C HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 5355 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name HN(CA)CO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5355 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 5355 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5355 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5355 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5355 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 ; Conformational and solvent exchange has resulted in a number of missing peaks in the 3D spectra and consequently there are no assignements for residues 9-11, 23-25 and 97-100. ; _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 '1H-15N HSQC' . . . 5355 1 2 '1H-13C HSQC' . . . 5355 1 3 '1H-15N NOESY-HSQC' . . . 5355 1 4 '1H-15N TOCSY-HSQC' . . . 5355 1 5 HNCA . . . 5355 1 6 HN(CA)CB . . . 5355 1 7 HN(CO)CA . . . 5355 1 8 HN(COCA)CB . . . 5355 1 9 HNCO . . . 5355 1 10 HN(CA)CO . . . 5355 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 10 10 HIS CA C 13 56.296 0.400 . 1 . . . . . . . . 5355 1 2 . 1 1 10 10 HIS C C 13 176.606 0.400 . 1 . . . . . . . . 5355 1 3 . 1 1 10 10 HIS CB C 13 30.160 0.400 . 1 . . . . . . . . 5355 1 4 . 1 1 11 11 GLY N N 15 109.984 0.100 . 1 . . . . . . . . 5355 1 5 . 1 1 11 11 GLY H H 1 8.384 0.020 . 1 . . . . . . . . 5355 1 6 . 1 1 11 11 GLY CA C 13 45.012 0.400 . 1 . . . . . . . . 5355 1 7 . 1 1 11 11 GLY C C 13 174.790 0.400 . 1 . . . . . . . . 5355 1 8 . 1 1 11 11 GLY HA2 H 1 3.928 0.020 . 2 . . . . . . . . 5355 1 9 . 1 1 12 12 MET N N 15 119.986 0.100 . 1 . . . . . . . . 5355 1 10 . 1 1 12 12 MET H H 1 8.313 0.020 . 1 . . . . . . . . 5355 1 11 . 1 1 12 12 MET CA C 13 55.093 0.400 . 1 . . . . . . . . 5355 1 12 . 1 1 12 12 MET HA H 1 4.505 0.020 . 1 . . . . . . . . 5355 1 13 . 1 1 12 12 MET C C 13 176.776 0.400 . 1 . . . . . . . . 5355 1 14 . 1 1 12 12 MET CB C 13 32.271 0.400 . 1 . . . . . . . . 5355 1 15 . 1 1 12 12 MET HB2 H 1 2.004 0.020 . 2 . . . . . . . . 5355 1 16 . 1 1 12 12 MET HB3 H 1 2.092 0.020 . 2 . . . . . . . . 5355 1 17 . 1 1 13 13 ALA N N 15 125.437 0.100 . 1 . . . . . . . . 5355 1 18 . 1 1 13 13 ALA H H 1 8.500 0.020 . 1 . . . . . . . . 5355 1 19 . 1 1 13 13 ALA CA C 13 52.323 0.400 . 1 . . . . . . . . 5355 1 20 . 1 1 13 13 ALA HA H 1 4.409 0.020 . 1 . . . . . . . . 5355 1 21 . 1 1 13 13 ALA C C 13 178.014 0.400 . 1 . . . . . . . . 5355 1 22 . 1 1 13 13 ALA CB C 13 18.425 0.400 . 1 . . . . . . . . 5355 1 23 . 1 1 13 13 ALA HB1 H 1 1.442 0.020 . 1 . . . . . . . . 5355 1 24 . 1 1 13 13 ALA HB2 H 1 1.442 0.020 . 1 . . . . . . . . 5355 1 25 . 1 1 13 13 ALA HB3 H 1 1.442 0.020 . 1 . . . . . . . . 5355 1 26 . 1 1 14 14 SER N N 15 114.844 0.100 . 1 . . . . . . . . 5355 1 27 . 1 1 14 14 SER H H 1 8.062 0.020 . 1 . . . . . . . . 5355 1 28 . 1 1 14 14 SER CA C 13 57.780 0.400 . 1 . . . . . . . . 5355 1 29 . 1 1 14 14 SER HA H 1 4.914 0.020 . 1 . . . . . . . . 5355 1 30 . 1 1 14 14 SER C C 13 174.360 0.400 . 1 . . . . . . . . 5355 1 31 . 1 1 14 14 SER CB C 13 64.462 0.400 . 1 . . . . . . . . 5355 1 32 . 1 1 14 14 SER HB2 H 1 3.674 0.020 . 1 . . . . . . . . 5355 1 33 . 1 1 15 15 GLU N N 15 123.898 0.100 . 1 . . . . . . . . 5355 1 34 . 1 1 15 15 GLU H H 1 8.432 0.020 . 1 . . . . . . . . 5355 1 35 . 1 1 15 15 GLU CA C 13 55.416 0.400 . 1 . . . . . . . . 5355 1 36 . 1 1 15 15 GLU HA H 1 4.452 0.020 . 1 . . . . . . . . 5355 1 37 . 1 1 15 15 GLU C C 13 174.974 0.400 . 1 . . . . . . . . 5355 1 38 . 1 1 15 15 GLU CB C 13 33.551 0.400 . 1 . . . . . . . . 5355 1 39 . 1 1 16 16 THR N N 15 118.315 0.100 . 1 . . . . . . . . 5355 1 40 . 1 1 16 16 THR H H 1 8.044 0.020 . 1 . . . . . . . . 5355 1 41 . 1 1 16 16 THR CA C 13 61.399 0.400 . 1 . . . . . . . . 5355 1 42 . 1 1 16 16 THR C C 13 173.220 0.400 . 1 . . . . . . . . 5355 1 43 . 1 1 16 16 THR CB C 13 69.574 0.400 . 1 . . . . . . . . 5355 1 44 . 1 1 17 17 PHE N N 15 124.748 0.100 . 1 . . . . . . . . 5355 1 45 . 1 1 17 17 PHE H H 1 8.575 0.020 . 1 . . . . . . . . 5355 1 46 . 1 1 17 17 PHE HA H 1 4.315 0.020 . 1 . . . . . . . . 5355 1 47 . 1 1 17 17 PHE C C 13 174.391 0.400 . 1 . . . . . . . . 5355 1 48 . 1 1 17 17 PHE CB C 13 42.435 0.400 . 1 . . . . . . . . 5355 1 49 . 1 1 17 17 PHE HD1 H 1 6.815 0.020 . 1 . . . . . . . . 5355 1 50 . 1 1 18 18 GLU N N 15 118.626 0.100 . 1 . . . . . . . . 5355 1 51 . 1 1 18 18 GLU H H 1 8.344 0.020 . 1 . . . . . . . . 5355 1 52 . 1 1 18 18 GLU CA C 13 55.180 0.400 . 1 . . . . . . . . 5355 1 53 . 1 1 18 18 GLU HA H 1 4.611 0.020 . 1 . . . . . . . . 5355 1 54 . 1 1 18 18 GLU C C 13 178.688 0.400 . 1 . . . . . . . . 5355 1 55 . 1 1 18 18 GLU CB C 13 30.459 0.400 . 1 . . . . . . . . 5355 1 56 . 1 1 19 19 PHE N N 15 120.471 0.100 . 1 . . . . . . . . 5355 1 57 . 1 1 19 19 PHE H H 1 8.097 0.020 . 1 . . . . . . . . 5355 1 58 . 1 1 19 19 PHE CA C 13 59.354 0.400 . 1 . . . . . . . . 5355 1 59 . 1 1 19 19 PHE C C 13 177.237 0.400 . 1 . . . . . . . . 5355 1 60 . 1 1 19 19 PHE CB C 13 40.429 0.400 . 1 . . . . . . . . 5355 1 61 . 1 1 22 22 GLU CA C 13 60.050 0.400 . 1 . . . . . . . . 5355 1 62 . 1 1 22 22 GLU C C 13 179.191 0.400 . 1 . . . . . . . . 5355 1 63 . 1 1 22 22 GLU CB C 13 28.971 0.400 . 1 . . . . . . . . 5355 1 64 . 1 1 23 23 ILE N N 15 118.642 0.100 . 1 . . . . . . . . 5355 1 65 . 1 1 23 23 ILE H H 1 7.502 0.020 . 1 . . . . . . . . 5355 1 66 . 1 1 23 23 ILE CA C 13 63.761 0.400 . 1 . . . . . . . . 5355 1 67 . 1 1 23 23 ILE C C 13 178.471 0.400 . 1 . . . . . . . . 5355 1 68 . 1 1 23 23 ILE CB C 13 37.535 0.400 . 1 . . . . . . . . 5355 1 69 . 1 1 24 24 THR N N 15 117.320 0.100 . 1 . . . . . . . . 5355 1 70 . 1 1 24 24 THR H H 1 7.635 0.020 . 1 . . . . . . . . 5355 1 71 . 1 1 24 24 THR CA C 13 66.380 0.400 . 1 . . . . . . . . 5355 1 72 . 1 1 24 24 THR C C 13 177.885 0.400 . 1 . . . . . . . . 5355 1 73 . 1 1 24 24 THR CB C 13 67.481 0.400 . 1 . . . . . . . . 5355 1 74 . 1 1 25 25 GLN N N 15 120.733 0.100 . 1 . . . . . . . . 5355 1 75 . 1 1 25 25 GLN H H 1 7.899 0.020 . 1 . . . . . . . . 5355 1 76 . 1 1 25 25 GLN CA C 13 58.526 0.400 . 1 . . . . . . . . 5355 1 77 . 1 1 25 25 GLN HA H 1 3.952 0.020 . 1 . . . . . . . . 5355 1 78 . 1 1 25 25 GLN C C 13 179.086 0.400 . 1 . . . . . . . . 5355 1 79 . 1 1 25 25 GLN CB C 13 27.391 0.400 . 1 . . . . . . . . 5355 1 80 . 1 1 26 26 LEU N N 15 122.424 0.100 . 1 . . . . . . . . 5355 1 81 . 1 1 26 26 LEU H H 1 7.948 0.020 . 1 . . . . . . . . 5355 1 82 . 1 1 26 26 LEU CA C 13 58.019 0.400 . 1 . . . . . . . . 5355 1 83 . 1 1 26 26 LEU C C 13 178.917 0.400 . 1 . . . . . . . . 5355 1 84 . 1 1 26 26 LEU CB C 13 39.966 0.400 . 1 . . . . . . . . 5355 1 85 . 1 1 27 27 MET N N 15 117.255 0.100 . 1 . . . . . . . . 5355 1 86 . 1 1 27 27 MET H H 1 8.487 0.020 . 1 . . . . . . . . 5355 1 87 . 1 1 27 27 MET CA C 13 60.469 0.400 . 1 . . . . . . . . 5355 1 88 . 1 1 27 27 MET CB C 13 32.275 0.400 . 1 . . . . . . . . 5355 1 89 . 1 1 28 28 SER N N 15 111.934 0.100 . 1 . . . . . . . . 5355 1 90 . 1 1 28 28 SER H H 1 7.785 0.020 . 1 . . . . . . . . 5355 1 91 . 1 1 28 28 SER CA C 13 61.267 0.400 . 1 . . . . . . . . 5355 1 92 . 1 1 28 28 SER HA H 1 4.059 0.020 . 1 . . . . . . . . 5355 1 93 . 1 1 28 28 SER C C 13 177.144 0.400 . 1 . . . . . . . . 5355 1 94 . 1 1 28 28 SER CB C 13 62.443 0.400 . 1 . . . . . . . . 5355 1 95 . 1 1 28 28 SER HB2 H 1 3.899 0.020 . 1 . . . . . . . . 5355 1 96 . 1 1 29 29 LEU N N 15 121.563 0.100 . 1 . . . . . . . . 5355 1 97 . 1 1 29 29 LEU H H 1 7.756 0.020 . 1 . . . . . . . . 5355 1 98 . 1 1 29 29 LEU CA C 13 57.730 0.400 . 1 . . . . . . . . 5355 1 99 . 1 1 29 29 LEU HA H 1 4.088 0.020 . 1 . . . . . . . . 5355 1 100 . 1 1 29 29 LEU C C 13 181.015 0.400 . 1 . . . . . . . . 5355 1 101 . 1 1 29 29 LEU CB C 13 41.162 0.400 . 1 . . . . . . . . 5355 1 102 . 1 1 30 30 ILE N N 15 119.684 0.100 . 1 . . . . . . . . 5355 1 103 . 1 1 30 30 ILE H H 1 8.338 0.020 . 1 . . . . . . . . 5355 1 104 . 1 1 30 30 ILE CA C 13 64.006 0.400 . 1 . . . . . . . . 5355 1 105 . 1 1 30 30 ILE HA H 1 3.588 0.020 . 1 . . . . . . . . 5355 1 106 . 1 1 30 30 ILE C C 13 178.327 0.400 . 1 . . . . . . . . 5355 1 107 . 1 1 30 30 ILE CB C 13 36.626 0.400 . 1 . . . . . . . . 5355 1 108 . 1 1 31 31 ILE N N 15 118.359 0.100 . 1 . . . . . . . . 5355 1 109 . 1 1 31 31 ILE H H 1 8.460 0.020 . 1 . . . . . . . . 5355 1 110 . 1 1 31 31 ILE CA C 13 64.244 0.400 . 1 . . . . . . . . 5355 1 111 . 1 1 31 31 ILE HA H 1 3.928 0.020 . 1 . . . . . . . . 5355 1 112 . 1 1 31 31 ILE C C 13 177.746 0.400 . 1 . . . . . . . . 5355 1 113 . 1 1 31 31 ILE CB C 13 37.446 0.400 . 1 . . . . . . . . 5355 1 114 . 1 1 32 32 ASN N N 15 114.259 0.100 . 1 . . . . . . . . 5355 1 115 . 1 1 32 32 ASN H H 1 7.363 0.020 . 1 . . . . . . . . 5355 1 116 . 1 1 32 32 ASN CA C 13 53.740 0.400 . 1 . . . . . . . . 5355 1 117 . 1 1 32 32 ASN C C 13 176.193 0.400 . 1 . . . . . . . . 5355 1 118 . 1 1 32 32 ASN CB C 13 40.170 0.400 . 1 . . . . . . . . 5355 1 119 . 1 1 33 33 THR N N 15 116.461 0.100 . 1 . . . . . . . . 5355 1 120 . 1 1 33 33 THR H H 1 7.465 0.020 . 1 . . . . . . . . 5355 1 121 . 1 1 33 33 THR HA H 1 4.309 0.020 . 1 . . . . . . . . 5355 1 122 . 1 1 33 33 THR HG21 H 1 1.182 0.020 . 1 . . . . . . . . 5355 1 123 . 1 1 33 33 THR HG22 H 1 1.182 0.020 . 1 . . . . . . . . 5355 1 124 . 1 1 33 33 THR HG23 H 1 1.182 0.020 . 1 . . . . . . . . 5355 1 125 . 1 1 37 37 ASN CA C 13 51.751 0.400 . 1 . . . . . . . . 5355 1 126 . 1 1 37 37 ASN C C 13 175.601 0.400 . 1 . . . . . . . . 5355 1 127 . 1 1 37 37 ASN CB C 13 37.377 0.400 . 1 . . . . . . . . 5355 1 128 . 1 1 38 38 LYS N N 15 117.590 0.100 . 1 . . . . . . . . 5355 1 129 . 1 1 38 38 LYS H H 1 8.194 0.020 . 1 . . . . . . . . 5355 1 130 . 1 1 38 38 LYS CA C 13 59.302 0.400 . 1 . . . . . . . . 5355 1 131 . 1 1 38 38 LYS C C 13 177.290 0.400 . 1 . . . . . . . . 5355 1 132 . 1 1 38 38 LYS CB C 13 31.629 0.400 . 1 . . . . . . . . 5355 1 133 . 1 1 39 39 GLU N N 15 115.241 0.100 . 1 . . . . . . . . 5355 1 134 . 1 1 39 39 GLU H H 1 8.517 0.020 . 1 . . . . . . . . 5355 1 135 . 1 1 39 39 GLU CA C 13 57.999 0.400 . 1 . . . . . . . . 5355 1 136 . 1 1 39 39 GLU HA H 1 4.070 0.020 . 1 . . . . . . . . 5355 1 137 . 1 1 39 39 GLU C C 13 176.478 0.400 . 1 . . . . . . . . 5355 1 138 . 1 1 39 39 GLU CB C 13 28.087 0.400 . 1 . . . . . . . . 5355 1 139 . 1 1 40 40 ILE N N 15 113.243 0.100 . 1 . . . . . . . . 5355 1 140 . 1 1 40 40 ILE H H 1 7.066 0.020 . 1 . . . . . . . . 5355 1 141 . 1 1 40 40 ILE CA C 13 62.405 0.400 . 1 . . . . . . . . 5355 1 142 . 1 1 40 40 ILE HA H 1 3.541 0.020 . 1 . . . . . . . . 5355 1 143 . 1 1 40 40 ILE C C 13 177.389 0.400 . 1 . . . . . . . . 5355 1 144 . 1 1 40 40 ILE CB C 13 37.429 0.400 . 1 . . . . . . . . 5355 1 145 . 1 1 41 41 PHE N N 15 120.920 0.100 . 1 . . . . . . . . 5355 1 146 . 1 1 41 41 PHE H H 1 8.137 0.020 . 1 . . . . . . . . 5355 1 147 . 1 1 41 41 PHE CA C 13 59.234 0.400 . 1 . . . . . . . . 5355 1 148 . 1 1 41 41 PHE C C 13 176.598 0.400 . 1 . . . . . . . . 5355 1 149 . 1 1 41 41 PHE CB C 13 37.031 0.400 . 1 . . . . . . . . 5355 1 150 . 1 1 42 42 LEU N N 15 123.030 0.100 . 1 . . . . . . . . 5355 1 151 . 1 1 42 42 LEU H H 1 5.969 0.020 . 1 . . . . . . . . 5355 1 152 . 1 1 42 42 LEU CA C 13 56.574 0.400 . 1 . . . . . . . . 5355 1 153 . 1 1 42 42 LEU HA H 1 3.059 0.020 . 1 . . . . . . . . 5355 1 154 . 1 1 42 42 LEU C C 13 178.804 0.400 . 1 . . . . . . . . 5355 1 155 . 1 1 42 42 LEU CB C 13 39.891 0.400 . 1 . . . . . . . . 5355 1 156 . 1 1 43 43 ARG N N 15 117.799 0.100 . 1 . . . . . . . . 5355 1 157 . 1 1 43 43 ARG H H 1 6.495 0.020 . 1 . . . . . . . . 5355 1 158 . 1 1 43 43 ARG CA C 13 58.375 0.400 . 1 . . . . . . . . 5355 1 159 . 1 1 43 43 ARG HA H 1 3.595 0.020 . 1 . . . . . . . . 5355 1 160 . 1 1 43 43 ARG C C 13 179.785 0.400 . 1 . . . . . . . . 5355 1 161 . 1 1 43 43 ARG CB C 13 28.578 0.400 . 1 . . . . . . . . 5355 1 162 . 1 1 44 44 GLU N N 15 116.558 0.100 . 1 . . . . . . . . 5355 1 163 . 1 1 44 44 GLU H H 1 7.612 0.020 . 1 . . . . . . . . 5355 1 164 . 1 1 44 44 GLU CA C 13 57.604 0.400 . 1 . . . . . . . . 5355 1 165 . 1 1 44 44 GLU HA H 1 3.980 0.020 . 1 . . . . . . . . 5355 1 166 . 1 1 44 44 GLU C C 13 180.047 0.400 . 1 . . . . . . . . 5355 1 167 . 1 1 44 44 GLU CB C 13 27.806 0.400 . 1 . . . . . . . . 5355 1 168 . 1 1 45 45 LEU N N 15 118.559 0.100 . 1 . . . . . . . . 5355 1 169 . 1 1 45 45 LEU H H 1 8.034 0.020 . 1 . . . . . . . . 5355 1 170 . 1 1 45 45 LEU CA C 13 57.319 0.400 . 1 . . . . . . . . 5355 1 171 . 1 1 45 45 LEU HA H 1 4.085 0.020 . 1 . . . . . . . . 5355 1 172 . 1 1 45 45 LEU C C 13 181.613 0.400 . 1 . . . . . . . . 5355 1 173 . 1 1 45 45 LEU CB C 13 39.259 0.400 . 1 . . . . . . . . 5355 1 174 . 1 1 46 46 ILE N N 15 122.686 0.100 . 1 . . . . . . . . 5355 1 175 . 1 1 46 46 ILE H H 1 8.442 0.020 . 1 . . . . . . . . 5355 1 176 . 1 1 46 46 ILE CA C 13 65.163 0.400 . 1 . . . . . . . . 5355 1 177 . 1 1 46 46 ILE HA H 1 3.631 0.020 . 1 . . . . . . . . 5355 1 178 . 1 1 46 46 ILE C C 13 178.290 0.400 . 1 . . . . . . . . 5355 1 179 . 1 1 46 46 ILE CB C 13 35.749 0.400 . 1 . . . . . . . . 5355 1 180 . 1 1 47 47 SER N N 15 117.519 0.100 . 1 . . . . . . . . 5355 1 181 . 1 1 47 47 SER H H 1 8.208 0.020 . 1 . . . . . . . . 5355 1 182 . 1 1 47 47 SER CA C 13 61.790 0.400 . 1 . . . . . . . . 5355 1 183 . 1 1 47 47 SER HA H 1 4.219 0.020 . 1 . . . . . . . . 5355 1 184 . 1 1 47 47 SER C C 13 177.581 0.400 . 1 . . . . . . . . 5355 1 185 . 1 1 47 47 SER CB C 13 62.226 0.400 . 1 . . . . . . . . 5355 1 186 . 1 1 48 48 ASN N N 15 119.344 0.100 . 1 . . . . . . . . 5355 1 187 . 1 1 48 48 ASN H H 1 7.940 0.020 . 1 . . . . . . . . 5355 1 188 . 1 1 48 48 ASN CA C 13 55.667 0.400 . 1 . . . . . . . . 5355 1 189 . 1 1 48 48 ASN HA H 1 4.342 0.020 . 1 . . . . . . . . 5355 1 190 . 1 1 48 48 ASN C C 13 178.562 0.400 . 1 . . . . . . . . 5355 1 191 . 1 1 48 48 ASN CB C 13 37.612 0.400 . 1 . . . . . . . . 5355 1 192 . 1 1 49 49 ALA N N 15 124.515 0.100 . 1 . . . . . . . . 5355 1 193 . 1 1 49 49 ALA H H 1 7.802 0.020 . 1 . . . . . . . . 5355 1 194 . 1 1 49 49 ALA CA C 13 54.561 0.400 . 1 . . . . . . . . 5355 1 195 . 1 1 49 49 ALA HA H 1 4.096 0.020 . 1 . . . . . . . . 5355 1 196 . 1 1 49 49 ALA C C 13 179.151 0.400 . 1 . . . . . . . . 5355 1 197 . 1 1 49 49 ALA CB C 13 17.676 0.400 . 1 . . . . . . . . 5355 1 198 . 1 1 49 49 ALA HB1 H 1 1.468 0.020 . 1 . . . . . . . . 5355 1 199 . 1 1 49 49 ALA HB2 H 1 1.468 0.020 . 1 . . . . . . . . 5355 1 200 . 1 1 49 49 ALA HB3 H 1 1.468 0.020 . 1 . . . . . . . . 5355 1 201 . 1 1 50 50 SER N N 15 112.366 0.100 . 1 . . . . . . . . 5355 1 202 . 1 1 50 50 SER H H 1 8.556 0.020 . 1 . . . . . . . . 5355 1 203 . 1 1 50 50 SER CA C 13 61.478 0.400 . 1 . . . . . . . . 5355 1 204 . 1 1 50 50 SER C C 13 177.251 0.400 . 1 . . . . . . . . 5355 1 205 . 1 1 50 50 SER CB C 13 62.795 0.400 . 1 . . . . . . . . 5355 1 206 . 1 1 51 51 ASP N N 15 119.564 0.100 . 1 . . . . . . . . 5355 1 207 . 1 1 51 51 ASP H H 1 8.169 0.020 . 1 . . . . . . . . 5355 1 208 . 1 1 51 51 ASP CA C 13 57.280 0.400 . 1 . . . . . . . . 5355 1 209 . 1 1 51 51 ASP HA H 1 4.364 0.020 . 1 . . . . . . . . 5355 1 210 . 1 1 51 51 ASP C C 13 178.894 0.400 . 1 . . . . . . . . 5355 1 211 . 1 1 51 51 ASP CB C 13 40.152 0.400 . 1 . . . . . . . . 5355 1 212 . 1 1 52 52 ALA N N 15 122.528 0.100 . 1 . . . . . . . . 5355 1 213 . 1 1 52 52 ALA H H 1 7.758 0.020 . 1 . . . . . . . . 5355 1 214 . 1 1 52 52 ALA CA C 13 54.976 0.400 . 1 . . . . . . . . 5355 1 215 . 1 1 52 52 ALA HA H 1 4.114 0.020 . 1 . . . . . . . . 5355 1 216 . 1 1 52 52 ALA C C 13 182.523 0.400 . 1 . . . . . . . . 5355 1 217 . 1 1 52 52 ALA CB C 13 18.067 0.400 . 1 . . . . . . . . 5355 1 218 . 1 1 52 52 ALA HB1 H 1 1.607 0.020 . 1 . . . . . . . . 5355 1 219 . 1 1 52 52 ALA HB2 H 1 1.607 0.020 . 1 . . . . . . . . 5355 1 220 . 1 1 52 52 ALA HB3 H 1 1.607 0.020 . 1 . . . . . . . . 5355 1 221 . 1 1 53 53 LEU N N 15 124.246 0.100 . 1 . . . . . . . . 5355 1 222 . 1 1 53 53 LEU H H 1 8.277 0.020 . 1 . . . . . . . . 5355 1 223 . 1 1 53 53 LEU CA C 13 57.529 0.400 . 1 . . . . . . . . 5355 1 224 . 1 1 53 53 LEU HA H 1 3.832 0.020 . 1 . . . . . . . . 5355 1 225 . 1 1 53 53 LEU C C 13 178.740 0.400 . 1 . . . . . . . . 5355 1 226 . 1 1 53 53 LEU CB C 13 40.040 0.400 . 1 . . . . . . . . 5355 1 227 . 1 1 54 54 ASP N N 15 120.539 0.100 . 1 . . . . . . . . 5355 1 228 . 1 1 54 54 ASP H H 1 8.867 0.020 . 1 . . . . . . . . 5355 1 229 . 1 1 54 54 ASP CA C 13 57.118 0.400 . 1 . . . . . . . . 5355 1 230 . 1 1 54 54 ASP C C 13 179.884 0.400 . 1 . . . . . . . . 5355 1 231 . 1 1 54 54 ASP CB C 13 39.195 0.400 . 1 . . . . . . . . 5355 1 232 . 1 1 55 55 LYS N N 15 116.961 0.100 . 1 . . . . . . . . 5355 1 233 . 1 1 55 55 LYS H H 1 7.950 0.020 . 1 . . . . . . . . 5355 1 234 . 1 1 55 55 LYS CA C 13 59.977 0.400 . 1 . . . . . . . . 5355 1 235 . 1 1 55 55 LYS HA H 1 4.121 0.020 . 1 . . . . . . . . 5355 1 236 . 1 1 55 55 LYS C C 13 181.113 0.400 . 1 . . . . . . . . 5355 1 237 . 1 1 55 55 LYS CB C 13 32.404 0.400 . 1 . . . . . . . . 5355 1 238 . 1 1 56 56 ILE N N 15 118.265 0.100 . 1 . . . . . . . . 5355 1 239 . 1 1 56 56 ILE H H 1 7.512 0.020 . 1 . . . . . . . . 5355 1 240 . 1 1 56 56 ILE CA C 13 59.651 0.400 . 1 . . . . . . . . 5355 1 241 . 1 1 56 56 ILE HA H 1 4.492 0.020 . 1 . . . . . . . . 5355 1 242 . 1 1 56 56 ILE C C 13 176.906 0.400 . 1 . . . . . . . . 5355 1 243 . 1 1 56 56 ILE CB C 13 37.615 0.400 . 1 . . . . . . . . 5355 1 244 . 1 1 57 57 ARG N N 15 127.786 0.100 . 1 . . . . . . . . 5355 1 245 . 1 1 57 57 ARG H H 1 8.645 0.020 . 1 . . . . . . . . 5355 1 246 . 1 1 57 57 ARG CA C 13 59.825 0.400 . 1 . . . . . . . . 5355 1 247 . 1 1 57 57 ARG HA H 1 3.871 0.020 . 1 . . . . . . . . 5355 1 248 . 1 1 57 57 ARG C C 13 180.317 0.400 . 1 . . . . . . . . 5355 1 249 . 1 1 57 57 ARG CB C 13 29.216 0.400 . 1 . . . . . . . . 5355 1 250 . 1 1 58 58 TYR N N 15 118.168 0.100 . 1 . . . . . . . . 5355 1 251 . 1 1 58 58 TYR H H 1 8.621 0.020 . 1 . . . . . . . . 5355 1 252 . 1 1 58 58 TYR CA C 13 60.891 0.400 . 1 . . . . . . . . 5355 1 253 . 1 1 58 58 TYR HA H 1 4.311 0.020 . 1 . . . . . . . . 5355 1 254 . 1 1 58 58 TYR C C 13 180.131 0.400 . 1 . . . . . . . . 5355 1 255 . 1 1 58 58 TYR CB C 13 37.132 0.400 . 1 . . . . . . . . 5355 1 256 . 1 1 59 59 LYS N N 15 120.258 0.100 . 1 . . . . . . . . 5355 1 257 . 1 1 59 59 LYS H H 1 7.896 0.020 . 1 . . . . . . . . 5355 1 258 . 1 1 59 59 LYS CA C 13 59.035 0.400 . 1 . . . . . . . . 5355 1 259 . 1 1 59 59 LYS HA H 1 4.026 0.020 . 1 . . . . . . . . 5355 1 260 . 1 1 59 59 LYS C C 13 179.587 0.400 . 1 . . . . . . . . 5355 1 261 . 1 1 59 59 LYS CB C 13 32.326 0.400 . 1 . . . . . . . . 5355 1 262 . 1 1 60 60 SER N N 15 113.184 0.100 . 1 . . . . . . . . 5355 1 263 . 1 1 60 60 SER H H 1 8.223 0.020 . 1 . . . . . . . . 5355 1 264 . 1 1 60 60 SER CA C 13 60.018 0.400 . 1 . . . . . . . . 5355 1 265 . 1 1 60 60 SER HA H 1 4.310 0.020 . 1 . . . . . . . . 5355 1 266 . 1 1 60 60 SER C C 13 175.571 0.400 . 1 . . . . . . . . 5355 1 267 . 1 1 60 60 SER CB C 13 63.067 0.400 . 1 . . . . . . . . 5355 1 268 . 1 1 61 61 LEU N N 15 121.838 0.100 . 1 . . . . . . . . 5355 1 269 . 1 1 61 61 LEU H H 1 7.359 0.020 . 1 . . . . . . . . 5355 1 270 . 1 1 61 61 LEU CA C 13 57.130 0.400 . 1 . . . . . . . . 5355 1 271 . 1 1 61 61 LEU HA H 1 4.117 0.020 . 1 . . . . . . . . 5355 1 272 . 1 1 61 61 LEU C C 13 179.540 0.400 . 1 . . . . . . . . 5355 1 273 . 1 1 61 61 LEU CB C 13 40.260 0.400 . 1 . . . . . . . . 5355 1 274 . 1 1 62 62 SER N N 15 109.618 0.100 . 1 . . . . . . . . 5355 1 275 . 1 1 62 62 SER H H 1 7.169 0.020 . 1 . . . . . . . . 5355 1 276 . 1 1 62 62 SER CA C 13 58.237 0.400 . 1 . . . . . . . . 5355 1 277 . 1 1 62 62 SER HA H 1 4.595 0.020 . 1 . . . . . . . . 5355 1 278 . 1 1 62 62 SER C C 13 175.008 0.400 . 1 . . . . . . . . 5355 1 279 . 1 1 62 62 SER CB C 13 63.598 0.400 . 1 . . . . . . . . 5355 1 280 . 1 1 63 63 ASP N N 15 118.301 0.100 . 1 . . . . . . . . 5355 1 281 . 1 1 63 63 ASP H H 1 7.433 0.020 . 1 . . . . . . . . 5355 1 282 . 1 1 63 63 ASP CA C 13 51.416 0.400 . 1 . . . . . . . . 5355 1 283 . 1 1 63 63 ASP HA H 1 5.058 0.020 . 1 . . . . . . . . 5355 1 284 . 1 1 63 63 ASP C C 13 174.050 0.400 . 1 . . . . . . . . 5355 1 285 . 1 1 64 64 PRO CA C 13 64.725 0.400 . 1 . . . . . . . . 5355 1 286 . 1 1 64 64 PRO C C 13 179.962 0.400 . 1 . . . . . . . . 5355 1 287 . 1 1 64 64 PRO CB C 13 31.225 0.400 . 1 . . . . . . . . 5355 1 288 . 1 1 65 65 LYS N N 15 118.148 0.100 . 1 . . . . . . . . 5355 1 289 . 1 1 65 65 LYS H H 1 8.046 0.020 . 1 . . . . . . . . 5355 1 290 . 1 1 65 65 LYS CA C 13 58.285 0.400 . 1 . . . . . . . . 5355 1 291 . 1 1 65 65 LYS HA H 1 4.069 0.020 . 1 . . . . . . . . 5355 1 292 . 1 1 65 65 LYS C C 13 180.131 0.400 . 1 . . . . . . . . 5355 1 293 . 1 1 65 65 LYS CB C 13 30.568 0.400 . 1 . . . . . . . . 5355 1 294 . 1 1 66 66 GLN N N 15 116.267 0.100 . 1 . . . . . . . . 5355 1 295 . 1 1 66 66 GLN H H 1 7.963 0.020 . 1 . . . . . . . . 5355 1 296 . 1 1 66 66 GLN CA C 13 56.860 0.400 . 1 . . . . . . . . 5355 1 297 . 1 1 66 66 GLN HA H 1 3.754 0.020 . 1 . . . . . . . . 5355 1 298 . 1 1 66 66 GLN C C 13 177.675 0.400 . 1 . . . . . . . . 5355 1 299 . 1 1 66 66 GLN CB C 13 26.865 0.400 . 1 . . . . . . . . 5355 1 300 . 1 1 67 67 LEU N N 15 113.322 0.100 . 1 . . . . . . . . 5355 1 301 . 1 1 67 67 LEU H H 1 7.221 0.020 . 1 . . . . . . . . 5355 1 302 . 1 1 67 67 LEU CA C 13 54.727 0.400 . 1 . . . . . . . . 5355 1 303 . 1 1 67 67 LEU HA H 1 4.219 0.020 . 1 . . . . . . . . 5355 1 304 . 1 1 67 67 LEU C C 13 179.756 0.400 . 1 . . . . . . . . 5355 1 305 . 1 1 67 67 LEU CB C 13 41.846 0.400 . 1 . . . . . . . . 5355 1 306 . 1 1 68 68 GLU N N 15 116.570 0.100 . 1 . . . . . . . . 5355 1 307 . 1 1 68 68 GLU H H 1 7.449 0.020 . 1 . . . . . . . . 5355 1 308 . 1 1 68 68 GLU CA C 13 59.015 0.400 . 1 . . . . . . . . 5355 1 309 . 1 1 68 68 GLU HA H 1 3.845 0.020 . 1 . . . . . . . . 5355 1 310 . 1 1 68 68 GLU C C 13 177.623 0.400 . 1 . . . . . . . . 5355 1 311 . 1 1 68 68 GLU CB C 13 28.973 0.400 . 1 . . . . . . . . 5355 1 312 . 1 1 69 69 THR N N 15 105.443 0.100 . 1 . . . . . . . . 5355 1 313 . 1 1 69 69 THR H H 1 7.036 0.020 . 1 . . . . . . . . 5355 1 314 . 1 1 69 69 THR CA C 13 62.097 0.400 . 1 . . . . . . . . 5355 1 315 . 1 1 69 69 THR HA H 1 3.910 0.020 . 1 . . . . . . . . 5355 1 316 . 1 1 69 69 THR C C 13 176.356 0.400 . 1 . . . . . . . . 5355 1 317 . 1 1 69 69 THR CB C 13 68.449 0.400 . 1 . . . . . . . . 5355 1 318 . 1 1 70 70 GLU N N 15 114.736 0.100 . 1 . . . . . . . . 5355 1 319 . 1 1 70 70 GLU H H 1 7.204 0.020 . 1 . . . . . . . . 5355 1 320 . 1 1 70 70 GLU CA C 13 55.022 0.400 . 1 . . . . . . . . 5355 1 321 . 1 1 70 70 GLU HA H 1 4.570 0.020 . 1 . . . . . . . . 5355 1 322 . 1 1 70 70 GLU C C 13 173.041 0.400 . 1 . . . . . . . . 5355 1 323 . 1 1 70 70 GLU CB C 13 28.921 0.400 . 1 . . . . . . . . 5355 1 324 . 1 1 71 71 PRO CA C 13 64.482 0.400 . 1 . . . . . . . . 5355 1 325 . 1 1 71 71 PRO C C 13 176.808 0.400 . 1 . . . . . . . . 5355 1 326 . 1 1 71 71 PRO CB C 13 31.796 0.400 . 1 . . . . . . . . 5355 1 327 . 1 1 72 72 ASP N N 15 117.416 0.100 . 1 . . . . . . . . 5355 1 328 . 1 1 72 72 ASP H H 1 8.603 0.020 . 1 . . . . . . . . 5355 1 329 . 1 1 72 72 ASP CA C 13 53.502 0.400 . 1 . . . . . . . . 5355 1 330 . 1 1 72 72 ASP HA H 1 4.895 0.020 . 1 . . . . . . . . 5355 1 331 . 1 1 72 72 ASP C C 13 176.104 0.400 . 1 . . . . . . . . 5355 1 332 . 1 1 72 72 ASP CB C 13 41.838 0.400 . 1 . . . . . . . . 5355 1 333 . 1 1 72 72 ASP HB2 H 1 2.752 0.020 . 1 . . . . . . . . 5355 1 334 . 1 1 73 73 LEU N N 15 122.899 0.100 . 1 . . . . . . . . 5355 1 335 . 1 1 73 73 LEU H H 1 8.321 0.020 . 1 . . . . . . . . 5355 1 336 . 1 1 73 73 LEU CA C 13 53.491 0.400 . 1 . . . . . . . . 5355 1 337 . 1 1 73 73 LEU HA H 1 4.216 0.020 . 1 . . . . . . . . 5355 1 338 . 1 1 73 73 LEU C C 13 175.217 0.400 . 1 . . . . . . . . 5355 1 339 . 1 1 73 73 LEU CB C 13 39.838 0.400 . 1 . . . . . . . . 5355 1 340 . 1 1 74 74 PHE N N 15 119.987 0.100 . 1 . . . . . . . . 5355 1 341 . 1 1 74 74 PHE H H 1 7.613 0.020 . 1 . . . . . . . . 5355 1 342 . 1 1 74 74 PHE CA C 13 56.126 0.400 . 1 . . . . . . . . 5355 1 343 . 1 1 74 74 PHE HA H 1 4.953 0.020 . 1 . . . . . . . . 5355 1 344 . 1 1 74 74 PHE C C 13 172.255 0.400 . 1 . . . . . . . . 5355 1 345 . 1 1 74 74 PHE CB C 13 41.373 0.400 . 1 . . . . . . . . 5355 1 346 . 1 1 75 75 ILE N N 15 118.577 0.100 . 1 . . . . . . . . 5355 1 347 . 1 1 75 75 ILE H H 1 8.186 0.020 . 1 . . . . . . . . 5355 1 348 . 1 1 75 75 ILE CA C 13 59.973 0.400 . 1 . . . . . . . . 5355 1 349 . 1 1 75 75 ILE HA H 1 4.922 0.020 . 1 . . . . . . . . 5355 1 350 . 1 1 75 75 ILE C C 13 175.040 0.400 . 1 . . . . . . . . 5355 1 351 . 1 1 75 75 ILE CB C 13 39.408 0.400 . 1 . . . . . . . . 5355 1 352 . 1 1 76 76 ARG N N 15 128.655 0.100 . 1 . . . . . . . . 5355 1 353 . 1 1 76 76 ARG H H 1 10.055 0.020 . 1 . . . . . . . . 5355 1 354 . 1 1 76 76 ARG CA C 13 54.324 0.400 . 1 . . . . . . . . 5355 1 355 . 1 1 76 76 ARG HA H 1 5.560 0.020 . 1 . . . . . . . . 5355 1 356 . 1 1 76 76 ARG C C 13 175.719 0.400 . 1 . . . . . . . . 5355 1 357 . 1 1 76 76 ARG CB C 13 33.817 0.400 . 1 . . . . . . . . 5355 1 358 . 1 1 77 77 ILE N N 15 130.252 0.100 . 1 . . . . . . . . 5355 1 359 . 1 1 77 77 ILE H H 1 9.075 0.020 . 1 . . . . . . . . 5355 1 360 . 1 1 77 77 ILE CA C 13 60.129 0.400 . 1 . . . . . . . . 5355 1 361 . 1 1 77 77 ILE HA H 1 5.047 0.020 . 1 . . . . . . . . 5355 1 362 . 1 1 77 77 ILE C C 13 175.176 0.400 . 1 . . . . . . . . 5355 1 363 . 1 1 77 77 ILE CB C 13 38.528 0.400 . 1 . . . . . . . . 5355 1 364 . 1 1 78 78 THR N N 15 122.003 0.100 . 1 . . . . . . . . 5355 1 365 . 1 1 78 78 THR H H 1 9.264 0.020 . 1 . . . . . . . . 5355 1 366 . 1 1 78 78 THR CA C 13 59.104 0.400 . 1 . . . . . . . . 5355 1 367 . 1 1 78 78 THR HA H 1 4.858 0.020 . 1 . . . . . . . . 5355 1 368 . 1 1 78 78 THR C C 13 173.321 0.400 . 1 . . . . . . . . 5355 1 369 . 1 1 78 78 THR CB C 13 70.771 0.400 . 1 . . . . . . . . 5355 1 370 . 1 1 79 79 PRO CA C 13 62.011 0.400 . 1 . . . . . . . . 5355 1 371 . 1 1 79 79 PRO C C 13 176.878 0.400 . 1 . . . . . . . . 5355 1 372 . 1 1 79 79 PRO CB C 13 32.815 0.400 . 1 . . . . . . . . 5355 1 373 . 1 1 80 80 LYS N N 15 122.160 0.100 . 1 . . . . . . . . 5355 1 374 . 1 1 80 80 LYS H H 1 9.124 0.020 . 1 . . . . . . . . 5355 1 375 . 1 1 80 80 LYS CA C 13 53.019 0.400 . 1 . . . . . . . . 5355 1 376 . 1 1 80 80 LYS HA H 1 4.983 0.020 . 1 . . . . . . . . 5355 1 377 . 1 1 80 80 LYS C C 13 176.265 0.400 . 1 . . . . . . . . 5355 1 378 . 1 1 80 80 LYS CB C 13 31.171 0.400 . 1 . . . . . . . . 5355 1 379 . 1 1 81 81 PRO CA C 13 65.627 0.400 . 1 . . . . . . . . 5355 1 380 . 1 1 81 81 PRO C C 13 179.891 0.400 . 1 . . . . . . . . 5355 1 381 . 1 1 81 81 PRO CB C 13 31.309 0.400 . 1 . . . . . . . . 5355 1 382 . 1 1 82 82 GLU N N 15 118.468 0.100 . 1 . . . . . . . . 5355 1 383 . 1 1 82 82 GLU H H 1 9.503 0.020 . 1 . . . . . . . . 5355 1 384 . 1 1 82 82 GLU CA C 13 58.843 0.400 . 1 . . . . . . . . 5355 1 385 . 1 1 82 82 GLU HA H 1 4.174 0.020 . 1 . . . . . . . . 5355 1 386 . 1 1 82 82 GLU C C 13 178.112 0.400 . 1 . . . . . . . . 5355 1 387 . 1 1 82 82 GLU CB C 13 27.715 0.400 . 1 . . . . . . . . 5355 1 388 . 1 1 83 83 GLN N N 15 115.603 0.100 . 1 . . . . . . . . 5355 1 389 . 1 1 83 83 GLN H H 1 7.283 0.020 . 1 . . . . . . . . 5355 1 390 . 1 1 83 83 GLN CA C 13 55.106 0.400 . 1 . . . . . . . . 5355 1 391 . 1 1 83 83 GLN HA H 1 4.464 0.020 . 1 . . . . . . . . 5355 1 392 . 1 1 83 83 GLN C C 13 175.034 0.400 . 1 . . . . . . . . 5355 1 393 . 1 1 83 83 GLN CB C 13 29.779 0.400 . 1 . . . . . . . . 5355 1 394 . 1 1 84 84 LYS N N 15 115.137 0.100 . 1 . . . . . . . . 5355 1 395 . 1 1 84 84 LYS H H 1 7.884 0.020 . 1 . . . . . . . . 5355 1 396 . 1 1 84 84 LYS CA C 13 58.065 0.400 . 1 . . . . . . . . 5355 1 397 . 1 1 84 84 LYS HA H 1 3.507 0.020 . 1 . . . . . . . . 5355 1 398 . 1 1 84 84 LYS C C 13 174.317 0.400 . 1 . . . . . . . . 5355 1 399 . 1 1 84 84 LYS CB C 13 28.829 0.400 . 1 . . . . . . . . 5355 1 400 . 1 1 85 85 VAL N N 15 116.417 0.100 . 1 . . . . . . . . 5355 1 401 . 1 1 85 85 VAL H H 1 7.151 0.020 . 1 . . . . . . . . 5355 1 402 . 1 1 85 85 VAL CA C 13 58.526 0.400 . 1 . . . . . . . . 5355 1 403 . 1 1 85 85 VAL HA H 1 5.076 0.020 . 1 . . . . . . . . 5355 1 404 . 1 1 85 85 VAL C C 13 173.904 0.400 . 1 . . . . . . . . 5355 1 405 . 1 1 85 85 VAL CB C 13 36.202 0.400 . 1 . . . . . . . . 5355 1 406 . 1 1 86 86 LEU N N 15 126.272 0.100 . 1 . . . . . . . . 5355 1 407 . 1 1 86 86 LEU H H 1 8.484 0.020 . 1 . . . . . . . . 5355 1 408 . 1 1 86 86 LEU CA C 13 52.886 0.400 . 1 . . . . . . . . 5355 1 409 . 1 1 86 86 LEU HA H 1 4.664 0.020 . 1 . . . . . . . . 5355 1 410 . 1 1 86 86 LEU C C 13 175.254 0.400 . 1 . . . . . . . . 5355 1 411 . 1 1 86 86 LEU CB C 13 45.760 0.400 . 1 . . . . . . . . 5355 1 412 . 1 1 87 87 GLU N N 15 124.823 0.100 . 1 . . . . . . . . 5355 1 413 . 1 1 87 87 GLU H H 1 8.122 0.020 . 1 . . . . . . . . 5355 1 414 . 1 1 87 87 GLU CA C 13 54.000 0.400 . 1 . . . . . . . . 5355 1 415 . 1 1 87 87 GLU HA H 1 5.722 0.020 . 1 . . . . . . . . 5355 1 416 . 1 1 87 87 GLU C C 13 176.789 0.400 . 1 . . . . . . . . 5355 1 417 . 1 1 87 87 GLU CB C 13 31.192 0.400 . 1 . . . . . . . . 5355 1 418 . 1 1 88 88 ILE N N 15 122.550 0.100 . 1 . . . . . . . . 5355 1 419 . 1 1 88 88 ILE H H 1 9.053 0.020 . 1 . . . . . . . . 5355 1 420 . 1 1 88 88 ILE CA C 13 60.632 0.400 . 1 . . . . . . . . 5355 1 421 . 1 1 88 88 ILE HA H 1 4.691 0.020 . 1 . . . . . . . . 5355 1 422 . 1 1 88 88 ILE C C 13 175.014 0.400 . 1 . . . . . . . . 5355 1 423 . 1 1 88 88 ILE CB C 13 39.496 0.400 . 1 . . . . . . . . 5355 1 424 . 1 1 89 89 ARG N N 15 130.802 0.100 . 1 . . . . . . . . 5355 1 425 . 1 1 89 89 ARG H H 1 9.772 0.020 . 1 . . . . . . . . 5355 1 426 . 1 1 89 89 ARG CA C 13 52.561 0.400 . 1 . . . . . . . . 5355 1 427 . 1 1 89 89 ARG HA H 1 5.806 0.020 . 1 . . . . . . . . 5355 1 428 . 1 1 89 89 ARG C C 13 174.352 0.400 . 1 . . . . . . . . 5355 1 429 . 1 1 89 89 ARG CB C 13 32.558 0.400 . 1 . . . . . . . . 5355 1 430 . 1 1 90 90 ASP N N 15 122.053 0.100 . 1 . . . . . . . . 5355 1 431 . 1 1 90 90 ASP H H 1 9.591 0.020 . 1 . . . . . . . . 5355 1 432 . 1 1 90 90 ASP CA C 13 52.364 0.400 . 1 . . . . . . . . 5355 1 433 . 1 1 90 90 ASP HA H 1 5.590 0.020 . 1 . . . . . . . . 5355 1 434 . 1 1 90 90 ASP C C 13 177.358 0.400 . 1 . . . . . . . . 5355 1 435 . 1 1 90 90 ASP CB C 13 46.408 0.400 . 1 . . . . . . . . 5355 1 436 . 1 1 91 91 SER N N 15 115.473 0.100 . 1 . . . . . . . . 5355 1 437 . 1 1 91 91 SER H H 1 7.473 0.020 . 1 . . . . . . . . 5355 1 438 . 1 1 91 91 SER CA C 13 54.501 0.400 . 1 . . . . . . . . 5355 1 439 . 1 1 91 91 SER C C 13 174.614 0.400 . 1 . . . . . . . . 5355 1 440 . 1 1 91 91 SER CB C 13 61.739 0.400 . 1 . . . . . . . . 5355 1 441 . 1 1 92 92 GLY N N 15 109.835 0.100 . 1 . . . . . . . . 5355 1 442 . 1 1 92 92 GLY H H 1 9.911 0.020 . 1 . . . . . . . . 5355 1 443 . 1 1 92 92 GLY CA C 13 44.222 0.400 . 1 . . . . . . . . 5355 1 444 . 1 1 92 92 GLY C C 13 172.958 0.400 . 1 . . . . . . . . 5355 1 445 . 1 1 93 93 ILE N N 15 115.893 0.100 . 1 . . . . . . . . 5355 1 446 . 1 1 93 93 ILE H H 1 6.878 0.020 . 1 . . . . . . . . 5355 1 447 . 1 1 93 93 ILE CA C 13 62.558 0.400 . 1 . . . . . . . . 5355 1 448 . 1 1 93 93 ILE C C 13 174.787 0.400 . 1 . . . . . . . . 5355 1 449 . 1 1 93 93 ILE CB C 13 39.458 0.400 . 1 . . . . . . . . 5355 1 450 . 1 1 94 94 GLY N N 15 106.093 0.100 . 1 . . . . . . . . 5355 1 451 . 1 1 94 94 GLY H H 1 7.669 0.020 . 1 . . . . . . . . 5355 1 452 . 1 1 94 94 GLY CA C 13 43.465 0.400 . 1 . . . . . . . . 5355 1 453 . 1 1 94 94 GLY HA2 H 1 3.139 0.020 . 2 . . . . . . . . 5355 1 454 . 1 1 94 94 GLY HA3 H 1 3.889 0.020 . 2 . . . . . . . . 5355 1 455 . 1 1 94 94 GLY C C 13 172.818 0.400 . 1 . . . . . . . . 5355 1 456 . 1 1 95 95 MET N N 15 117.842 0.100 . 1 . . . . . . . . 5355 1 457 . 1 1 95 95 MET H H 1 8.149 0.020 . 1 . . . . . . . . 5355 1 458 . 1 1 95 95 MET CA C 13 54.248 0.400 . 1 . . . . . . . . 5355 1 459 . 1 1 95 95 MET HA H 1 4.893 0.020 . 1 . . . . . . . . 5355 1 460 . 1 1 95 95 MET C C 13 176.171 0.400 . 1 . . . . . . . . 5355 1 461 . 1 1 95 95 MET CB C 13 36.269 0.400 . 1 . . . . . . . . 5355 1 462 . 1 1 96 96 THR N N 15 113.515 0.100 . 1 . . . . . . . . 5355 1 463 . 1 1 96 96 THR H H 1 8.998 0.020 . 1 . . . . . . . . 5355 1 464 . 1 1 96 96 THR CA C 13 60.260 0.400 . 1 . . . . . . . . 5355 1 465 . 1 1 96 96 THR C C 13 174.469 0.400 . 1 . . . . . . . . 5355 1 466 . 1 1 96 96 THR CB C 13 69.862 0.400 . 1 . . . . . . . . 5355 1 467 . 1 1 97 97 LYS N N 15 120.567 0.100 . 1 . . . . . . . . 5355 1 468 . 1 1 97 97 LYS H H 1 8.803 0.020 . 1 . . . . . . . . 5355 1 469 . 1 1 97 97 LYS CA C 13 60.872 0.400 . 1 . . . . . . . . 5355 1 470 . 1 1 97 97 LYS C C 13 178.436 0.400 . 1 . . . . . . . . 5355 1 471 . 1 1 97 97 LYS CB C 13 30.597 0.400 . 1 . . . . . . . . 5355 1 472 . 1 1 98 98 ALA N N 15 116.273 0.100 . 1 . . . . . . . . 5355 1 473 . 1 1 98 98 ALA H H 1 8.016 0.020 . 1 . . . . . . . . 5355 1 474 . 1 1 98 98 ALA CA C 13 54.476 0.400 . 1 . . . . . . . . 5355 1 475 . 1 1 98 98 ALA C C 13 181.223 0.400 . 1 . . . . . . . . 5355 1 476 . 1 1 98 98 ALA CB C 13 17.571 0.400 . 1 . . . . . . . . 5355 1 477 . 1 1 98 98 ALA HB1 H 1 1.256 0.020 . 1 . . . . . . . . 5355 1 478 . 1 1 98 98 ALA HB2 H 1 1.256 0.020 . 1 . . . . . . . . 5355 1 479 . 1 1 98 98 ALA HB3 H 1 1.256 0.020 . 1 . . . . . . . . 5355 1 480 . 1 1 99 99 GLU N N 15 117.641 0.100 . 1 . . . . . . . . 5355 1 481 . 1 1 99 99 GLU H H 1 7.636 0.020 . 1 . . . . . . . . 5355 1 482 . 1 1 99 99 GLU CA C 13 58.736 0.400 . 1 . . . . . . . . 5355 1 483 . 1 1 99 99 GLU HA H 1 3.794 0.020 . 1 . . . . . . . . 5355 1 484 . 1 1 99 99 GLU C C 13 179.299 0.400 . 1 . . . . . . . . 5355 1 485 . 1 1 99 99 GLU CB C 13 29.226 0.400 . 1 . . . . . . . . 5355 1 486 . 1 1 100 100 LEU N N 15 121.593 0.100 . 1 . . . . . . . . 5355 1 487 . 1 1 100 100 LEU H H 1 8.580 0.020 . 1 . . . . . . . . 5355 1 488 . 1 1 100 100 LEU CA C 13 57.930 0.400 . 1 . . . . . . . . 5355 1 489 . 1 1 100 100 LEU C C 13 178.715 0.400 . 1 . . . . . . . . 5355 1 490 . 1 1 100 100 LEU CB C 13 41.481 0.400 . 1 . . . . . . . . 5355 1 491 . 1 1 101 101 ILE N N 15 115.166 0.100 . 1 . . . . . . . . 5355 1 492 . 1 1 101 101 ILE H H 1 7.443 0.020 . 1 . . . . . . . . 5355 1 493 . 1 1 101 101 ILE CA C 13 65.107 0.400 . 1 . . . . . . . . 5355 1 494 . 1 1 101 101 ILE C C 13 179.409 0.400 . 1 . . . . . . . . 5355 1 495 . 1 1 101 101 ILE CB C 13 38.515 0.400 . 1 . . . . . . . . 5355 1 496 . 1 1 102 102 ASN N N 15 116.087 0.100 . 1 . . . . . . . . 5355 1 497 . 1 1 102 102 ASN H H 1 8.357 0.020 . 1 . . . . . . . . 5355 1 498 . 1 1 102 102 ASN CA C 13 55.553 0.400 . 1 . . . . . . . . 5355 1 499 . 1 1 102 102 ASN HA H 1 4.542 0.020 . 1 . . . . . . . . 5355 1 500 . 1 1 102 102 ASN CB C 13 39.148 0.400 . 1 . . . . . . . . 5355 1 501 . 1 1 103 103 ASN N N 15 117.271 0.100 . 1 . . . . . . . . 5355 1 502 . 1 1 103 103 ASN H H 1 9.173 0.020 . 1 . . . . . . . . 5355 1 503 . 1 1 103 103 ASN CA C 13 55.053 0.400 . 1 . . . . . . . . 5355 1 504 . 1 1 103 103 ASN C C 13 177.404 0.400 . 1 . . . . . . . . 5355 1 505 . 1 1 103 103 ASN CB C 13 30.589 0.400 . 1 . . . . . . . . 5355 1 506 . 1 1 104 104 LEU N N 15 114.862 0.100 . 1 . . . . . . . . 5355 1 507 . 1 1 104 104 LEU H H 1 6.844 0.020 . 1 . . . . . . . . 5355 1 508 . 1 1 104 104 LEU CA C 13 54.405 0.400 . 1 . . . . . . . . 5355 1 509 . 1 1 104 104 LEU HA H 1 4.164 0.020 . 1 . . . . . . . . 5355 1 510 . 1 1 104 104 LEU C C 13 178.759 0.400 . 1 . . . . . . . . 5355 1 511 . 1 1 104 104 LEU CB C 13 38.504 0.400 . 1 . . . . . . . . 5355 1 512 . 1 1 105 105 GLY N N 15 103.619 0.100 . 1 . . . . . . . . 5355 1 513 . 1 1 105 105 GLY H H 1 7.129 0.020 . 1 . . . . . . . . 5355 1 514 . 1 1 105 105 GLY CA C 13 46.723 0.400 . 1 . . . . . . . . 5355 1 515 . 1 1 105 105 GLY C C 13 174.956 0.400 . 1 . . . . . . . . 5355 1 516 . 1 1 106 106 THR N N 15 111.648 0.100 . 1 . . . . . . . . 5355 1 517 . 1 1 106 106 THR H H 1 7.680 0.020 . 1 . . . . . . . . 5355 1 518 . 1 1 106 106 THR CA C 13 63.452 0.400 . 1 . . . . . . . . 5355 1 519 . 1 1 106 106 THR C C 13 175.411 0.400 . 1 . . . . . . . . 5355 1 520 . 1 1 107 107 ILE N N 15 120.852 0.100 . 1 . . . . . . . . 5355 1 521 . 1 1 107 107 ILE H H 1 8.295 0.020 . 1 . . . . . . . . 5355 1 522 . 1 1 107 107 ILE CA C 13 61.388 0.400 . 1 . . . . . . . . 5355 1 523 . 1 1 107 107 ILE HA H 1 4.449 0.020 . 1 . . . . . . . . 5355 1 524 . 1 1 112 112 THR C C 13 176.722 0.400 . 1 . . . . . . . . 5355 1 525 . 1 1 113 113 LYS N N 15 121.322 0.100 . 1 . . . . . . . . 5355 1 526 . 1 1 113 113 LYS H H 1 8.091 0.020 . 1 . . . . . . . . 5355 1 527 . 1 1 113 113 LYS CA C 13 59.402 0.400 . 1 . . . . . . . . 5355 1 528 . 1 1 113 113 LYS C C 13 179.177 0.400 . 1 . . . . . . . . 5355 1 529 . 1 1 113 113 LYS CB C 13 31.594 0.400 . 1 . . . . . . . . 5355 1 530 . 1 1 114 114 ALA N N 15 120.532 0.100 . 1 . . . . . . . . 5355 1 531 . 1 1 114 114 ALA H H 1 7.895 0.020 . 1 . . . . . . . . 5355 1 532 . 1 1 114 114 ALA CA C 13 54.494 0.400 . 1 . . . . . . . . 5355 1 533 . 1 1 114 114 ALA HA H 1 4.153 0.020 . 1 . . . . . . . . 5355 1 534 . 1 1 114 114 ALA C C 13 181.056 0.400 . 1 . . . . . . . . 5355 1 535 . 1 1 114 114 ALA CB C 13 17.585 0.400 . 1 . . . . . . . . 5355 1 536 . 1 1 114 114 ALA HB1 H 1 1.657 0.020 . 1 . . . . . . . . 5355 1 537 . 1 1 114 114 ALA HB2 H 1 1.657 0.020 . 1 . . . . . . . . 5355 1 538 . 1 1 114 114 ALA HB3 H 1 1.657 0.020 . 1 . . . . . . . . 5355 1 539 . 1 1 115 115 PHE N N 15 120.073 0.100 . 1 . . . . . . . . 5355 1 540 . 1 1 115 115 PHE H H 1 8.325 0.020 . 1 . . . . . . . . 5355 1 541 . 1 1 115 115 PHE CA C 13 58.903 0.400 . 1 . . . . . . . . 5355 1 542 . 1 1 115 115 PHE CB C 13 37.647 0.400 . 1 . . . . . . . . 5355 1 543 . 1 1 116 116 MET N N 15 117.275 0.100 . 1 . . . . . . . . 5355 1 544 . 1 1 116 116 MET H H 1 7.998 0.020 . 1 . . . . . . . . 5355 1 545 . 1 1 116 116 MET CA C 13 59.388 0.400 . 1 . . . . . . . . 5355 1 546 . 1 1 116 116 MET C C 13 180.047 0.400 . 1 . . . . . . . . 5355 1 547 . 1 1 116 116 MET CB C 13 31.648 0.400 . 1 . . . . . . . . 5355 1 548 . 1 1 117 117 GLU N N 15 119.499 0.100 . 1 . . . . . . . . 5355 1 549 . 1 1 117 117 GLU H H 1 8.100 0.020 . 1 . . . . . . . . 5355 1 550 . 1 1 117 117 GLU CA C 13 58.891 0.400 . 1 . . . . . . . . 5355 1 551 . 1 1 117 117 GLU HA H 1 3.903 0.020 . 1 . . . . . . . . 5355 1 552 . 1 1 117 117 GLU C C 13 179.957 0.400 . 1 . . . . . . . . 5355 1 553 . 1 1 117 117 GLU CB C 13 28.377 0.400 . 1 . . . . . . . . 5355 1 554 . 1 1 118 118 ALA N N 15 123.979 0.100 . 1 . . . . . . . . 5355 1 555 . 1 1 118 118 ALA H H 1 7.749 0.020 . 1 . . . . . . . . 5355 1 556 . 1 1 118 118 ALA CA C 13 54.716 0.400 . 1 . . . . . . . . 5355 1 557 . 1 1 118 118 ALA HA H 1 4.117 0.020 . 1 . . . . . . . . 5355 1 558 . 1 1 118 118 ALA C C 13 181.691 0.400 . 1 . . . . . . . . 5355 1 559 . 1 1 118 118 ALA CB C 13 16.725 0.400 . 1 . . . . . . . . 5355 1 560 . 1 1 118 118 ALA HB1 H 1 1.326 0.020 . 1 . . . . . . . . 5355 1 561 . 1 1 118 118 ALA HB2 H 1 1.326 0.020 . 1 . . . . . . . . 5355 1 562 . 1 1 118 118 ALA HB3 H 1 1.326 0.020 . 1 . . . . . . . . 5355 1 563 . 1 1 119 119 LEU N N 15 120.321 0.100 . 1 . . . . . . . . 5355 1 564 . 1 1 119 119 LEU H H 1 8.323 0.020 . 1 . . . . . . . . 5355 1 565 . 1 1 119 119 LEU CA C 13 57.330 0.400 . 1 . . . . . . . . 5355 1 566 . 1 1 119 119 LEU C C 13 181.808 0.400 . 1 . . . . . . . . 5355 1 567 . 1 1 119 119 LEU CB C 13 40.485 0.400 . 1 . . . . . . . . 5355 1 568 . 1 1 120 120 SER N N 15 115.736 0.100 . 1 . . . . . . . . 5355 1 569 . 1 1 120 120 SER H H 1 7.819 0.020 . 1 . . . . . . . . 5355 1 570 . 1 1 120 120 SER CA C 13 60.982 0.400 . 1 . . . . . . . . 5355 1 571 . 1 1 120 120 SER HA H 1 4.207 0.020 . 1 . . . . . . . . 5355 1 572 . 1 1 120 120 SER C C 13 175.198 0.400 . 1 . . . . . . . . 5355 1 573 . 1 1 120 120 SER CB C 13 62.579 0.400 . 1 . . . . . . . . 5355 1 574 . 1 1 121 121 ALA N N 15 122.265 0.100 . 1 . . . . . . . . 5355 1 575 . 1 1 121 121 ALA H H 1 7.390 0.020 . 1 . . . . . . . . 5355 1 576 . 1 1 121 121 ALA CA C 13 51.405 0.400 . 1 . . . . . . . . 5355 1 577 . 1 1 121 121 ALA HA H 1 4.513 0.020 . 1 . . . . . . . . 5355 1 578 . 1 1 121 121 ALA C C 13 178.126 0.400 . 1 . . . . . . . . 5355 1 579 . 1 1 121 121 ALA CB C 13 18.271 0.400 . 1 . . . . . . . . 5355 1 580 . 1 1 121 121 ALA HB1 H 1 1.467 0.020 . 1 . . . . . . . . 5355 1 581 . 1 1 121 121 ALA HB2 H 1 1.467 0.020 . 1 . . . . . . . . 5355 1 582 . 1 1 121 121 ALA HB3 H 1 1.467 0.020 . 1 . . . . . . . . 5355 1 583 . 1 1 122 122 GLY N N 15 106.043 0.100 . 1 . . . . . . . . 5355 1 584 . 1 1 122 122 GLY H H 1 7.679 0.020 . 1 . . . . . . . . 5355 1 585 . 1 1 122 122 GLY CA C 13 45.055 0.400 . 1 . . . . . . . . 5355 1 586 . 1 1 122 122 GLY HA2 H 1 3.720 0.020 . 2 . . . . . . . . 5355 1 587 . 1 1 122 122 GLY HA3 H 1 4.408 0.020 . 2 . . . . . . . . 5355 1 588 . 1 1 122 122 GLY C C 13 175.471 0.400 . 1 . . . . . . . . 5355 1 589 . 1 1 123 123 ALA N N 15 122.989 0.100 . 1 . . . . . . . . 5355 1 590 . 1 1 123 123 ALA H H 1 8.032 0.020 . 1 . . . . . . . . 5355 1 591 . 1 1 123 123 ALA CA C 13 51.953 0.400 . 1 . . . . . . . . 5355 1 592 . 1 1 123 123 ALA HA H 1 4.351 0.020 . 1 . . . . . . . . 5355 1 593 . 1 1 123 123 ALA C C 13 175.843 0.400 . 1 . . . . . . . . 5355 1 594 . 1 1 123 123 ALA CB C 13 18.663 0.400 . 1 . . . . . . . . 5355 1 595 . 1 1 123 123 ALA HB1 H 1 1.246 0.020 . 1 . . . . . . . . 5355 1 596 . 1 1 123 123 ALA HB2 H 1 1.246 0.020 . 1 . . . . . . . . 5355 1 597 . 1 1 123 123 ALA HB3 H 1 1.246 0.020 . 1 . . . . . . . . 5355 1 598 . 1 1 124 124 ASP N N 15 118.031 0.100 . 1 . . . . . . . . 5355 1 599 . 1 1 124 124 ASP H H 1 7.999 0.020 . 1 . . . . . . . . 5355 1 600 . 1 1 124 124 ASP CA C 13 53.135 0.400 . 1 . . . . . . . . 5355 1 601 . 1 1 124 124 ASP HA H 1 4.782 0.020 . 1 . . . . . . . . 5355 1 602 . 1 1 124 124 ASP C C 13 177.910 0.400 . 1 . . . . . . . . 5355 1 603 . 1 1 124 124 ASP CB C 13 43.663 0.400 . 1 . . . . . . . . 5355 1 604 . 1 1 125 125 VAL N N 15 121.278 0.100 . 1 . . . . . . . . 5355 1 605 . 1 1 125 125 VAL H H 1 8.022 0.020 . 1 . . . . . . . . 5355 1 606 . 1 1 125 125 VAL CA C 13 64.554 0.400 . 1 . . . . . . . . 5355 1 607 . 1 1 125 125 VAL C C 13 176.181 0.400 . 1 . . . . . . . . 5355 1 608 . 1 1 125 125 VAL CB C 13 31.776 0.400 . 1 . . . . . . . . 5355 1 609 . 1 1 126 126 SER N N 15 113.923 0.100 . 1 . . . . . . . . 5355 1 610 . 1 1 126 126 SER H H 1 8.655 0.020 . 1 . . . . . . . . 5355 1 611 . 1 1 126 126 SER CA C 13 60.672 0.400 . 1 . . . . . . . . 5355 1 612 . 1 1 126 126 SER C C 13 176.507 0.400 . 1 . . . . . . . . 5355 1 613 . 1 1 126 126 SER CB C 13 62.458 0.400 . 1 . . . . . . . . 5355 1 614 . 1 1 127 127 MET N N 15 120.209 0.100 . 1 . . . . . . . . 5355 1 615 . 1 1 127 127 MET H H 1 8.052 0.020 . 1 . . . . . . . . 5355 1 616 . 1 1 127 127 MET CA C 13 56.118 0.400 . 1 . . . . . . . . 5355 1 617 . 1 1 127 127 MET HA H 1 4.543 0.020 . 1 . . . . . . . . 5355 1 618 . 1 1 127 127 MET C C 13 177.140 0.400 . 1 . . . . . . . . 5355 1 619 . 1 1 127 127 MET CB C 13 32.093 0.400 . 1 . . . . . . . . 5355 1 620 . 1 1 128 128 ILE N N 15 119.417 0.100 . 1 . . . . . . . . 5355 1 621 . 1 1 128 128 ILE H H 1 7.807 0.020 . 1 . . . . . . . . 5355 1 622 . 1 1 128 128 ILE CA C 13 64.940 0.400 . 1 . . . . . . . . 5355 1 623 . 1 1 128 128 ILE C C 13 176.094 0.400 . 1 . . . . . . . . 5355 1 624 . 1 1 128 128 ILE CB C 13 36.543 0.400 . 1 . . . . . . . . 5355 1 625 . 1 1 129 129 GLY N N 15 109.350 0.100 . 1 . . . . . . . . 5355 1 626 . 1 1 129 129 GLY H H 1 7.932 0.020 . 1 . . . . . . . . 5355 1 627 . 1 1 129 129 GLY CA C 13 46.375 0.400 . 1 . . . . . . . . 5355 1 628 . 1 1 129 129 GLY HA2 H 1 3.790 0.020 . 2 . . . . . . . . 5355 1 629 . 1 1 129 129 GLY HA3 H 1 4.184 0.020 . 2 . . . . . . . . 5355 1 630 . 1 1 129 129 GLY C C 13 178.387 0.400 . 1 . . . . . . . . 5355 1 631 . 1 1 130 130 GLN N N 15 120.400 0.100 . 1 . . . . . . . . 5355 1 632 . 1 1 130 130 GLN H H 1 8.059 0.020 . 1 . . . . . . . . 5355 1 633 . 1 1 130 130 GLN CA C 13 56.952 0.400 . 1 . . . . . . . . 5355 1 634 . 1 1 130 130 GLN HA H 1 4.063 0.020 . 1 . . . . . . . . 5355 1 635 . 1 1 130 130 GLN C C 13 177.340 0.400 . 1 . . . . . . . . 5355 1 636 . 1 1 130 130 GLN CB C 13 27.174 0.400 . 1 . . . . . . . . 5355 1 637 . 1 1 131 131 PHE N N 15 115.408 0.100 . 1 . . . . . . . . 5355 1 638 . 1 1 131 131 PHE H H 1 7.357 0.020 . 1 . . . . . . . . 5355 1 639 . 1 1 131 131 PHE CA C 13 57.712 0.400 . 1 . . . . . . . . 5355 1 640 . 1 1 131 131 PHE HA H 1 4.521 0.020 . 1 . . . . . . . . 5355 1 641 . 1 1 131 131 PHE C C 13 176.647 0.400 . 1 . . . . . . . . 5355 1 642 . 1 1 131 131 PHE CB C 13 39.609 0.400 . 1 . . . . . . . . 5355 1 643 . 1 1 132 132 GLY N N 15 105.793 0.100 . 1 . . . . . . . . 5355 1 644 . 1 1 132 132 GLY H H 1 7.712 0.020 . 1 . . . . . . . . 5355 1 645 . 1 1 132 132 GLY CA C 13 46.055 0.400 . 1 . . . . . . . . 5355 1 646 . 1 1 132 132 GLY HA2 H 1 4.026 0.020 . 2 . . . . . . . . 5355 1 647 . 1 1 132 132 GLY HA3 H 1 4.144 0.020 . 2 . . . . . . . . 5355 1 648 . 1 1 132 132 GLY C C 13 175.561 0.400 . 1 . . . . . . . . 5355 1 649 . 1 1 133 133 VAL N N 15 108.209 0.100 . 1 . . . . . . . . 5355 1 650 . 1 1 133 133 VAL H H 1 6.693 0.020 . 1 . . . . . . . . 5355 1 651 . 1 1 133 133 VAL CA C 13 59.386 0.400 . 1 . . . . . . . . 5355 1 652 . 1 1 133 133 VAL HA H 1 4.949 0.020 . 1 . . . . . . . . 5355 1 653 . 1 1 133 133 VAL C C 13 176.274 0.400 . 1 . . . . . . . . 5355 1 654 . 1 1 133 133 VAL CB C 13 30.232 0.400 . 1 . . . . . . . . 5355 1 655 . 1 1 134 134 GLY N N 15 108.291 0.100 . 1 . . . . . . . . 5355 1 656 . 1 1 134 134 GLY H H 1 8.863 0.020 . 1 . . . . . . . . 5355 1 657 . 1 1 134 134 GLY CA C 13 47.264 0.400 . 1 . . . . . . . . 5355 1 658 . 1 1 134 134 GLY C C 13 176.082 0.400 . 1 . . . . . . . . 5355 1 659 . 1 1 135 135 PHE N N 15 123.907 0.100 . 1 . . . . . . . . 5355 1 660 . 1 1 135 135 PHE H H 1 9.029 0.020 . 1 . . . . . . . . 5355 1 661 . 1 1 135 135 PHE CA C 13 60.984 0.400 . 1 . . . . . . . . 5355 1 662 . 1 1 135 135 PHE C C 13 175.391 0.400 . 1 . . . . . . . . 5355 1 663 . 1 1 135 135 PHE CB C 13 39.820 0.400 . 1 . . . . . . . . 5355 1 664 . 1 1 136 136 TYR N N 15 109.614 0.100 . 1 . . . . . . . . 5355 1 665 . 1 1 136 136 TYR H H 1 7.240 0.020 . 1 . . . . . . . . 5355 1 666 . 1 1 136 136 TYR CA C 13 60.785 0.400 . 1 . . . . . . . . 5355 1 667 . 1 1 136 136 TYR C C 13 177.231 0.400 . 1 . . . . . . . . 5355 1 668 . 1 1 136 136 TYR CB C 13 36.976 0.400 . 1 . . . . . . . . 5355 1 669 . 1 1 137 137 SER N N 15 113.863 0.100 . 1 . . . . . . . . 5355 1 670 . 1 1 137 137 SER H H 1 8.106 0.020 . 1 . . . . . . . . 5355 1 671 . 1 1 137 137 SER CA C 13 61.624 0.400 . 1 . . . . . . . . 5355 1 672 . 1 1 137 137 SER HA H 1 4.535 0.020 . 1 . . . . . . . . 5355 1 673 . 1 1 137 137 SER C C 13 176.423 0.400 . 1 . . . . . . . . 5355 1 674 . 1 1 137 137 SER CB C 13 62.481 0.400 . 1 . . . . . . . . 5355 1 675 . 1 1 138 138 LEU N N 15 122.994 0.100 . 1 . . . . . . . . 5355 1 676 . 1 1 138 138 LEU H H 1 7.609 0.020 . 1 . . . . . . . . 5355 1 677 . 1 1 138 138 LEU CA C 13 57.812 0.400 . 1 . . . . . . . . 5355 1 678 . 1 1 138 138 LEU C C 13 178.004 0.400 . 1 . . . . . . . . 5355 1 679 . 1 1 138 138 LEU CB C 13 39.634 0.400 . 1 . . . . . . . . 5355 1 680 . 1 1 139 139 PHE N N 15 118.155 0.100 . 1 . . . . . . . . 5355 1 681 . 1 1 139 139 PHE H H 1 7.466 0.020 . 1 . . . . . . . . 5355 1 682 . 1 1 139 139 PHE CA C 13 60.422 0.400 . 1 . . . . . . . . 5355 1 683 . 1 1 139 139 PHE HA H 1 4.964 0.020 . 1 . . . . . . . . 5355 1 684 . 1 1 139 139 PHE C C 13 176.134 0.400 . 1 . . . . . . . . 5355 1 685 . 1 1 139 139 PHE CB C 13 36.853 0.400 . 1 . . . . . . . . 5355 1 686 . 1 1 140 140 LEU N N 15 117.850 0.100 . 1 . . . . . . . . 5355 1 687 . 1 1 140 140 LEU H H 1 8.083 0.020 . 1 . . . . . . . . 5355 1 688 . 1 1 140 140 LEU CA C 13 57.178 0.400 . 1 . . . . . . . . 5355 1 689 . 1 1 140 140 LEU HA H 1 4.275 0.020 . 1 . . . . . . . . 5355 1 690 . 1 1 140 140 LEU C C 13 179.494 0.400 . 1 . . . . . . . . 5355 1 691 . 1 1 140 140 LEU CB C 13 42.467 0.400 . 1 . . . . . . . . 5355 1 692 . 1 1 141 141 VAL N N 15 103.767 0.100 . 1 . . . . . . . . 5355 1 693 . 1 1 141 141 VAL H H 1 6.892 0.020 . 1 . . . . . . . . 5355 1 694 . 1 1 141 141 VAL CA C 13 60.012 0.400 . 1 . . . . . . . . 5355 1 695 . 1 1 141 141 VAL HA H 1 4.537 0.020 . 1 . . . . . . . . 5355 1 696 . 1 1 141 141 VAL C C 13 173.421 0.400 . 1 . . . . . . . . 5355 1 697 . 1 1 141 141 VAL CB C 13 32.584 0.400 . 1 . . . . . . . . 5355 1 698 . 1 1 142 142 ALA N N 15 124.640 0.100 . 1 . . . . . . . . 5355 1 699 . 1 1 142 142 ALA H H 1 7.743 0.020 . 1 . . . . . . . . 5355 1 700 . 1 1 142 142 ALA CA C 13 50.623 0.400 . 1 . . . . . . . . 5355 1 701 . 1 1 142 142 ALA HA H 1 5.038 0.020 . 1 . . . . . . . . 5355 1 702 . 1 1 142 142 ALA C C 13 175.816 0.400 . 1 . . . . . . . . 5355 1 703 . 1 1 142 142 ALA CB C 13 21.534 0.400 . 1 . . . . . . . . 5355 1 704 . 1 1 142 142 ALA HB1 H 1 1.031 0.020 . 1 . . . . . . . . 5355 1 705 . 1 1 142 142 ALA HB2 H 1 1.031 0.020 . 1 . . . . . . . . 5355 1 706 . 1 1 142 142 ALA HB3 H 1 1.031 0.020 . 1 . . . . . . . . 5355 1 707 . 1 1 143 143 ASP N N 15 117.281 0.100 . 1 . . . . . . . . 5355 1 708 . 1 1 143 143 ASP H H 1 8.256 0.020 . 1 . . . . . . . . 5355 1 709 . 1 1 143 143 ASP CA C 13 53.887 0.400 . 1 . . . . . . . . 5355 1 710 . 1 1 143 143 ASP HA H 1 4.911 0.020 . 1 . . . . . . . . 5355 1 711 . 1 1 143 143 ASP C C 13 176.165 0.400 . 1 . . . . . . . . 5355 1 712 . 1 1 143 143 ASP CB C 13 41.817 0.400 . 1 . . . . . . . . 5355 1 713 . 1 1 144 144 ARG N N 15 114.982 0.100 . 1 . . . . . . . . 5355 1 714 . 1 1 144 144 ARG H H 1 7.564 0.020 . 1 . . . . . . . . 5355 1 715 . 1 1 144 144 ARG CA C 13 54.699 0.400 . 1 . . . . . . . . 5355 1 716 . 1 1 144 144 ARG HA H 1 5.061 0.020 . 1 . . . . . . . . 5355 1 717 . 1 1 144 144 ARG C C 13 173.495 0.400 . 1 . . . . . . . . 5355 1 718 . 1 1 144 144 ARG CB C 13 32.608 0.400 . 1 . . . . . . . . 5355 1 719 . 1 1 145 145 VAL N N 15 121.575 0.100 . 1 . . . . . . . . 5355 1 720 . 1 1 145 145 VAL H H 1 8.742 0.020 . 1 . . . . . . . . 5355 1 721 . 1 1 145 145 VAL CA C 13 58.288 0.400 . 1 . . . . . . . . 5355 1 722 . 1 1 145 145 VAL HA H 1 5.720 0.020 . 1 . . . . . . . . 5355 1 723 . 1 1 145 145 VAL C C 13 174.105 0.400 . 1 . . . . . . . . 5355 1 724 . 1 1 145 145 VAL CB C 13 34.444 0.400 . 1 . . . . . . . . 5355 1 725 . 1 1 146 146 GLN N N 15 123.119 0.100 . 1 . . . . . . . . 5355 1 726 . 1 1 146 146 GLN H H 1 8.925 0.020 . 1 . . . . . . . . 5355 1 727 . 1 1 146 146 GLN CA C 13 53.680 0.400 . 1 . . . . . . . . 5355 1 728 . 1 1 146 146 GLN HA H 1 5.649 0.020 . 1 . . . . . . . . 5355 1 729 . 1 1 146 146 GLN C C 13 175.139 0.400 . 1 . . . . . . . . 5355 1 730 . 1 1 146 146 GLN CB C 13 30.587 0.400 . 1 . . . . . . . . 5355 1 731 . 1 1 146 146 GLN HE22 H 1 9.090 0.020 . 1 . . . . . . . . 5355 1 732 . 1 1 147 147 VAL N N 15 125.441 0.100 . 1 . . . . . . . . 5355 1 733 . 1 1 147 147 VAL H H 1 10.459 0.020 . 1 . . . . . . . . 5355 1 734 . 1 1 147 147 VAL CA C 13 61.260 0.400 . 1 . . . . . . . . 5355 1 735 . 1 1 147 147 VAL HA H 1 4.893 0.020 . 1 . . . . . . . . 5355 1 736 . 1 1 147 147 VAL C C 13 174.917 0.400 . 1 . . . . . . . . 5355 1 737 . 1 1 147 147 VAL CB C 13 32.032 0.400 . 1 . . . . . . . . 5355 1 738 . 1 1 148 148 ILE N N 15 130.248 0.100 . 1 . . . . . . . . 5355 1 739 . 1 1 148 148 ILE H H 1 9.612 0.020 . 1 . . . . . . . . 5355 1 740 . 1 1 148 148 ILE CA C 13 59.649 0.400 . 1 . . . . . . . . 5355 1 741 . 1 1 148 148 ILE HA H 1 5.183 0.020 . 1 . . . . . . . . 5355 1 742 . 1 1 148 148 ILE C C 13 176.328 0.400 . 1 . . . . . . . . 5355 1 743 . 1 1 148 148 ILE CB C 13 39.027 0.400 . 1 . . . . . . . . 5355 1 744 . 1 1 149 149 SER N N 15 119.401 0.100 . 1 . . . . . . . . 5355 1 745 . 1 1 149 149 SER H H 1 9.259 0.020 . 1 . . . . . . . . 5355 1 746 . 1 1 149 149 SER CA C 13 56.854 0.400 . 1 . . . . . . . . 5355 1 747 . 1 1 149 149 SER HA H 1 5.542 0.020 . 1 . . . . . . . . 5355 1 748 . 1 1 149 149 SER C C 13 172.292 0.400 . 1 . . . . . . . . 5355 1 749 . 1 1 149 149 SER CB C 13 66.672 0.400 . 1 . . . . . . . . 5355 1 750 . 1 1 149 149 SER HB2 H 1 3.415 0.020 . 2 . . . . . . . . 5355 1 751 . 1 1 149 149 SER HB3 H 1 3.882 0.020 . 2 . . . . . . . . 5355 1 752 . 1 1 150 150 LYS N N 15 127.340 0.100 . 1 . . . . . . . . 5355 1 753 . 1 1 150 150 LYS H H 1 9.366 0.020 . 1 . . . . . . . . 5355 1 754 . 1 1 150 150 LYS CA C 13 53.529 0.400 . 1 . . . . . . . . 5355 1 755 . 1 1 150 150 LYS HA H 1 4.822 0.020 . 1 . . . . . . . . 5355 1 756 . 1 1 150 150 LYS C C 13 174.416 0.400 . 1 . . . . . . . . 5355 1 757 . 1 1 150 150 LYS CB C 13 36.146 0.400 . 1 . . . . . . . . 5355 1 758 . 1 1 151 151 SER N N 15 123.324 0.100 . 1 . . . . . . . . 5355 1 759 . 1 1 151 151 SER H H 1 9.322 0.020 . 1 . . . . . . . . 5355 1 760 . 1 1 151 151 SER CA C 13 54.809 0.400 . 1 . . . . . . . . 5355 1 761 . 1 1 151 151 SER HA H 1 4.948 0.020 . 1 . . . . . . . . 5355 1 762 . 1 1 151 151 SER C C 13 177.337 0.400 . 1 . . . . . . . . 5355 1 763 . 1 1 151 151 SER CB C 13 63.153 0.400 . 1 . . . . . . . . 5355 1 764 . 1 1 152 152 ASN N N 15 126.508 0.100 . 1 . . . . . . . . 5355 1 765 . 1 1 152 152 ASN H H 1 10.395 0.020 . 1 . . . . . . . . 5355 1 766 . 1 1 152 152 ASN CA C 13 55.028 0.400 . 1 . . . . . . . . 5355 1 767 . 1 1 152 152 ASN HA H 1 4.384 0.020 . 1 . . . . . . . . 5355 1 768 . 1 1 152 152 ASN C C 13 177.494 0.400 . 1 . . . . . . . . 5355 1 769 . 1 1 152 152 ASN CB C 13 36.710 0.400 . 1 . . . . . . . . 5355 1 770 . 1 1 153 153 ASP N N 15 116.164 0.100 . 1 . . . . . . . . 5355 1 771 . 1 1 153 153 ASP H H 1 8.262 0.020 . 1 . . . . . . . . 5355 1 772 . 1 1 153 153 ASP CA C 13 54.290 0.400 . 1 . . . . . . . . 5355 1 773 . 1 1 153 153 ASP C C 13 175.306 0.400 . 1 . . . . . . . . 5355 1 774 . 1 1 153 153 ASP CB C 13 41.560 0.400 . 1 . . . . . . . . 5355 1 775 . 1 1 154 154 ASP N N 15 121.062 0.100 . 1 . . . . . . . . 5355 1 776 . 1 1 154 154 ASP H H 1 8.026 0.020 . 1 . . . . . . . . 5355 1 777 . 1 1 154 154 ASP HA H 1 5.032 0.020 . 1 . . . . . . . . 5355 1 778 . 1 1 154 154 ASP C C 13 174.648 0.400 . 1 . . . . . . . . 5355 1 779 . 1 1 154 154 ASP CB C 13 44.706 0.400 . 1 . . . . . . . . 5355 1 780 . 1 1 155 155 GLU N N 15 116.283 0.100 . 1 . . . . . . . . 5355 1 781 . 1 1 155 155 GLU H H 1 9.152 0.020 . 1 . . . . . . . . 5355 1 782 . 1 1 155 155 GLU CA C 13 54.123 0.400 . 1 . . . . . . . . 5355 1 783 . 1 1 155 155 GLU HA H 1 4.447 0.020 . 1 . . . . . . . . 5355 1 784 . 1 1 155 155 GLU C C 13 174.679 0.400 . 1 . . . . . . . . 5355 1 785 . 1 1 155 155 GLU CB C 13 30.580 0.400 . 1 . . . . . . . . 5355 1 786 . 1 1 156 156 GLN N N 15 119.631 0.100 . 1 . . . . . . . . 5355 1 787 . 1 1 156 156 GLN H H 1 8.411 0.020 . 1 . . . . . . . . 5355 1 788 . 1 1 156 156 GLN CA C 13 56.186 0.400 . 1 . . . . . . . . 5355 1 789 . 1 1 156 156 GLN HA H 1 5.129 0.020 . 1 . . . . . . . . 5355 1 790 . 1 1 156 156 GLN C C 13 176.281 0.400 . 1 . . . . . . . . 5355 1 791 . 1 1 156 156 GLN CB C 13 29.476 0.400 . 1 . . . . . . . . 5355 1 792 . 1 1 156 156 GLN NE2 N 15 122.152 0.100 . 1 . . . . . . . . 5355 1 793 . 1 1 156 156 GLN HE21 H 1 7.800 0.020 . 1 . . . . . . . . 5355 1 794 . 1 1 157 157 TYR N N 15 125.255 0.100 . 1 . . . . . . . . 5355 1 795 . 1 1 157 157 TYR H H 1 8.685 0.020 . 1 . . . . . . . . 5355 1 796 . 1 1 157 157 TYR CA C 13 58.471 0.400 . 1 . . . . . . . . 5355 1 797 . 1 1 157 157 TYR HA H 1 5.029 0.020 . 1 . . . . . . . . 5355 1 798 . 1 1 157 157 TYR C C 13 174.434 0.400 . 1 . . . . . . . . 5355 1 799 . 1 1 157 157 TYR CB C 13 45.357 0.400 . 1 . . . . . . . . 5355 1 800 . 1 1 158 158 ILE N N 15 116.080 0.100 . 1 . . . . . . . . 5355 1 801 . 1 1 158 158 ILE H H 1 9.212 0.020 . 1 . . . . . . . . 5355 1 802 . 1 1 158 158 ILE CA C 13 59.963 0.400 . 1 . . . . . . . . 5355 1 803 . 1 1 158 158 ILE HA H 1 5.154 0.020 . 1 . . . . . . . . 5355 1 804 . 1 1 158 158 ILE C C 13 176.560 0.400 . 1 . . . . . . . . 5355 1 805 . 1 1 158 158 ILE CB C 13 41.400 0.400 . 1 . . . . . . . . 5355 1 806 . 1 1 159 159 TRP N N 15 134.639 0.100 . 1 . . . . . . . . 5355 1 807 . 1 1 159 159 TRP H H 1 10.371 0.020 . 1 . . . . . . . . 5355 1 808 . 1 1 159 159 TRP CA C 13 55.651 0.400 . 1 . . . . . . . . 5355 1 809 . 1 1 159 159 TRP HA H 1 5.925 0.020 . 1 . . . . . . . . 5355 1 810 . 1 1 159 159 TRP C C 13 176.126 0.400 . 1 . . . . . . . . 5355 1 811 . 1 1 159 159 TRP CB C 13 34.315 0.400 . 1 . . . . . . . . 5355 1 812 . 1 1 160 160 GLU N N 15 128.746 0.100 . 1 . . . . . . . . 5355 1 813 . 1 1 160 160 GLU H H 1 9.062 0.020 . 1 . . . . . . . . 5355 1 814 . 1 1 160 160 GLU CA C 13 54.999 0.400 . 1 . . . . . . . . 5355 1 815 . 1 1 160 160 GLU HA H 1 5.659 0.020 . 1 . . . . . . . . 5355 1 816 . 1 1 160 160 GLU C C 13 174.841 0.400 . 1 . . . . . . . . 5355 1 817 . 1 1 160 160 GLU CB C 13 32.738 0.400 . 1 . . . . . . . . 5355 1 818 . 1 1 161 161 SER N N 15 115.908 0.100 . 1 . . . . . . . . 5355 1 819 . 1 1 161 161 SER H H 1 8.207 0.020 . 1 . . . . . . . . 5355 1 820 . 1 1 161 161 SER CA C 13 57.574 0.400 . 1 . . . . . . . . 5355 1 821 . 1 1 161 161 SER HA H 1 4.799 0.020 . 1 . . . . . . . . 5355 1 822 . 1 1 161 161 SER C C 13 173.995 0.400 . 1 . . . . . . . . 5355 1 823 . 1 1 161 161 SER CB C 13 67.323 0.400 . 1 . . . . . . . . 5355 1 824 . 1 1 162 162 ASN N N 15 125.074 0.100 . 1 . . . . . . . . 5355 1 825 . 1 1 162 162 ASN H H 1 8.570 0.020 . 1 . . . . . . . . 5355 1 826 . 1 1 162 162 ASN CA C 13 52.175 0.400 . 1 . . . . . . . . 5355 1 827 . 1 1 162 162 ASN HA H 1 5.327 0.020 . 1 . . . . . . . . 5355 1 828 . 1 1 162 162 ASN C C 13 175.595 0.400 . 1 . . . . . . . . 5355 1 829 . 1 1 162 162 ASN CB C 13 38.256 0.400 . 1 . . . . . . . . 5355 1 830 . 1 1 163 163 ALA N N 15 117.582 0.100 . 1 . . . . . . . . 5355 1 831 . 1 1 163 163 ALA H H 1 8.593 0.020 . 1 . . . . . . . . 5355 1 832 . 1 1 163 163 ALA CA C 13 53.285 0.400 . 1 . . . . . . . . 5355 1 833 . 1 1 163 163 ALA HA H 1 3.923 0.020 . 1 . . . . . . . . 5355 1 834 . 1 1 163 163 ALA C C 13 177.207 0.400 . 1 . . . . . . . . 5355 1 835 . 1 1 163 163 ALA CB C 13 16.296 0.400 . 1 . . . . . . . . 5355 1 836 . 1 1 163 163 ALA HB1 H 1 1.135 0.020 . 1 . . . . . . . . 5355 1 837 . 1 1 163 163 ALA HB2 H 1 1.135 0.020 . 1 . . . . . . . . 5355 1 838 . 1 1 163 163 ALA HB3 H 1 1.135 0.020 . 1 . . . . . . . . 5355 1 839 . 1 1 164 164 GLY N N 15 106.244 0.100 . 1 . . . . . . . . 5355 1 840 . 1 1 164 164 GLY H H 1 8.109 0.020 . 1 . . . . . . . . 5355 1 841 . 1 1 164 164 GLY CA C 13 44.900 0.400 . 1 . . . . . . . . 5355 1 842 . 1 1 164 164 GLY HA2 H 1 3.870 0.020 . 2 . . . . . . . . 5355 1 843 . 1 1 164 164 GLY HA3 H 1 4.285 0.020 . 2 . . . . . . . . 5355 1 844 . 1 1 164 164 GLY C C 13 175.860 0.400 . 1 . . . . . . . . 5355 1 845 . 1 1 165 165 GLY N N 15 105.755 0.100 . 1 . . . . . . . . 5355 1 846 . 1 1 165 165 GLY H H 1 8.398 0.020 . 1 . . . . . . . . 5355 1 847 . 1 1 165 165 GLY CA C 13 46.155 0.400 . 1 . . . . . . . . 5355 1 848 . 1 1 165 165 GLY HA2 H 1 4.222 0.020 . 2 . . . . . . . . 5355 1 849 . 1 1 165 165 GLY C C 13 175.074 0.400 . 1 . . . . . . . . 5355 1 850 . 1 1 166 166 SER N N 15 114.783 0.100 . 1 . . . . . . . . 5355 1 851 . 1 1 166 166 SER H H 1 7.980 0.020 . 1 . . . . . . . . 5355 1 852 . 1 1 166 166 SER CA C 13 56.649 0.400 . 1 . . . . . . . . 5355 1 853 . 1 1 166 166 SER HA H 1 5.393 0.020 . 1 . . . . . . . . 5355 1 854 . 1 1 166 166 SER C C 13 172.845 0.400 . 1 . . . . . . . . 5355 1 855 . 1 1 166 166 SER CB C 13 66.522 0.400 . 1 . . . . . . . . 5355 1 856 . 1 1 167 167 PHE N N 15 119.049 0.100 . 1 . . . . . . . . 5355 1 857 . 1 1 167 167 PHE H H 1 8.774 0.020 . 1 . . . . . . . . 5355 1 858 . 1 1 167 167 PHE CA C 13 54.926 0.400 . 1 . . . . . . . . 5355 1 859 . 1 1 167 167 PHE HA H 1 5.201 0.020 . 1 . . . . . . . . 5355 1 860 . 1 1 167 167 PHE C C 13 173.448 0.400 . 1 . . . . . . . . 5355 1 861 . 1 1 167 167 PHE CB C 13 40.709 0.400 . 1 . . . . . . . . 5355 1 862 . 1 1 168 168 THR N N 15 109.941 0.100 . 1 . . . . . . . . 5355 1 863 . 1 1 168 168 THR H H 1 8.541 0.020 . 1 . . . . . . . . 5355 1 864 . 1 1 168 168 THR CA C 13 58.993 0.400 . 1 . . . . . . . . 5355 1 865 . 1 1 168 168 THR HA H 1 5.613 0.020 . 1 . . . . . . . . 5355 1 866 . 1 1 168 168 THR C C 13 175.389 0.400 . 1 . . . . . . . . 5355 1 867 . 1 1 168 168 THR CB C 13 71.916 0.400 . 1 . . . . . . . . 5355 1 868 . 1 1 169 169 VAL N N 15 120.600 0.100 . 1 . . . . . . . . 5355 1 869 . 1 1 169 169 VAL H H 1 9.060 0.020 . 1 . . . . . . . . 5355 1 870 . 1 1 169 169 VAL CA C 13 61.410 0.400 . 1 . . . . . . . . 5355 1 871 . 1 1 169 169 VAL HA H 1 5.540 0.020 . 1 . . . . . . . . 5355 1 872 . 1 1 169 169 VAL C C 13 176.793 0.400 . 1 . . . . . . . . 5355 1 873 . 1 1 169 169 VAL CB C 13 34.561 0.400 . 1 . . . . . . . . 5355 1 874 . 1 1 170 170 THR N N 15 124.685 0.100 . 1 . . . . . . . . 5355 1 875 . 1 1 170 170 THR H H 1 9.325 0.020 . 1 . . . . . . . . 5355 1 876 . 1 1 170 170 THR CA C 13 61.290 0.400 . 1 . . . . . . . . 5355 1 877 . 1 1 170 170 THR HA H 1 5.044 0.020 . 1 . . . . . . . . 5355 1 878 . 1 1 170 170 THR C C 13 174.063 0.400 . 1 . . . . . . . . 5355 1 879 . 1 1 170 170 THR CB C 13 71.712 0.400 . 1 . . . . . . . . 5355 1 880 . 1 1 171 171 LEU N N 15 130.986 0.100 . 1 . . . . . . . . 5355 1 881 . 1 1 171 171 LEU H H 1 8.998 0.020 . 1 . . . . . . . . 5355 1 882 . 1 1 171 171 LEU CA C 13 56.605 0.400 . 1 . . . . . . . . 5355 1 883 . 1 1 171 171 LEU C C 13 177.178 0.400 . 1 . . . . . . . . 5355 1 884 . 1 1 171 171 LEU CB C 13 41.029 0.400 . 1 . . . . . . . . 5355 1 885 . 1 1 172 172 ASP N N 15 126.853 0.100 . 1 . . . . . . . . 5355 1 886 . 1 1 172 172 ASP H H 1 8.468 0.020 . 1 . . . . . . . . 5355 1 887 . 1 1 172 172 ASP CA C 13 54.197 0.400 . 1 . . . . . . . . 5355 1 888 . 1 1 172 172 ASP HA H 1 4.423 0.020 . 1 . . . . . . . . 5355 1 889 . 1 1 172 172 ASP C C 13 177.747 0.400 . 1 . . . . . . . . 5355 1 890 . 1 1 172 172 ASP CB C 13 42.109 0.400 . 1 . . . . . . . . 5355 1 891 . 1 1 173 173 GLU N N 15 128.068 0.100 . 1 . . . . . . . . 5355 1 892 . 1 1 173 173 GLU H H 1 8.805 0.020 . 1 . . . . . . . . 5355 1 893 . 1 1 173 173 GLU CA C 13 54.988 0.400 . 1 . . . . . . . . 5355 1 894 . 1 1 173 173 GLU HA H 1 4.699 0.020 . 1 . . . . . . . . 5355 1 895 . 1 1 173 173 GLU C C 13 176.854 0.400 . 1 . . . . . . . . 5355 1 896 . 1 1 173 173 GLU CB C 13 30.205 0.400 . 1 . . . . . . . . 5355 1 897 . 1 1 174 174 VAL N N 15 114.845 0.100 . 1 . . . . . . . . 5355 1 898 . 1 1 174 174 VAL H H 1 8.636 0.020 . 1 . . . . . . . . 5355 1 899 . 1 1 174 174 VAL CA C 13 62.322 0.400 . 1 . . . . . . . . 5355 1 900 . 1 1 174 174 VAL HA H 1 4.471 0.020 . 1 . . . . . . . . 5355 1 901 . 1 1 174 174 VAL C C 13 176.772 0.400 . 1 . . . . . . . . 5355 1 902 . 1 1 174 174 VAL CB C 13 34.329 0.400 . 1 . . . . . . . . 5355 1 903 . 1 1 175 175 ASN N N 15 121.270 0.100 . 1 . . . . . . . . 5355 1 904 . 1 1 175 175 ASN H H 1 9.888 0.020 . 1 . . . . . . . . 5355 1 905 . 1 1 175 175 ASN CA C 13 53.916 0.400 . 1 . . . . . . . . 5355 1 906 . 1 1 175 175 ASN HA H 1 4.811 0.020 . 1 . . . . . . . . 5355 1 907 . 1 1 175 175 ASN C C 13 176.655 0.400 . 1 . . . . . . . . 5355 1 908 . 1 1 175 175 ASN CB C 13 38.882 0.400 . 1 . . . . . . . . 5355 1 909 . 1 1 176 176 GLU N N 15 120.356 0.100 . 1 . . . . . . . . 5355 1 910 . 1 1 176 176 GLU H H 1 8.823 0.020 . 1 . . . . . . . . 5355 1 911 . 1 1 176 176 GLU CA C 13 56.390 0.400 . 1 . . . . . . . . 5355 1 912 . 1 1 176 176 GLU HA H 1 4.120 0.020 . 1 . . . . . . . . 5355 1 913 . 1 1 176 176 GLU C C 13 176.240 0.400 . 1 . . . . . . . . 5355 1 914 . 1 1 176 176 GLU CB C 13 28.865 0.400 . 1 . . . . . . . . 5355 1 915 . 1 1 177 177 ARG N N 15 121.078 0.100 . 1 . . . . . . . . 5355 1 916 . 1 1 177 177 ARG H H 1 8.628 0.020 . 1 . . . . . . . . 5355 1 917 . 1 1 177 177 ARG CA C 13 54.621 0.400 . 1 . . . . . . . . 5355 1 918 . 1 1 177 177 ARG HA H 1 4.411 0.020 . 1 . . . . . . . . 5355 1 919 . 1 1 177 177 ARG C C 13 178.303 0.400 . 1 . . . . . . . . 5355 1 920 . 1 1 177 177 ARG CB C 13 29.984 0.400 . 1 . . . . . . . . 5355 1 921 . 1 1 178 178 ILE N N 15 123.081 0.100 . 1 . . . . . . . . 5355 1 922 . 1 1 178 178 ILE H H 1 8.531 0.020 . 1 . . . . . . . . 5355 1 923 . 1 1 178 178 ILE CA C 13 60.174 0.400 . 1 . . . . . . . . 5355 1 924 . 1 1 178 178 ILE HA H 1 4.165 0.020 . 1 . . . . . . . . 5355 1 925 . 1 1 178 178 ILE C C 13 176.881 0.400 . 1 . . . . . . . . 5355 1 926 . 1 1 178 178 ILE CB C 13 38.999 0.400 . 1 . . . . . . . . 5355 1 927 . 1 1 179 179 GLY N N 15 114.112 0.100 . 1 . . . . . . . . 5355 1 928 . 1 1 179 179 GLY H H 1 8.384 0.020 . 1 . . . . . . . . 5355 1 929 . 1 1 179 179 GLY CA C 13 47.496 0.400 . 1 . . . . . . . . 5355 1 930 . 1 1 179 179 GLY HA2 H 1 3.637 0.020 . 2 . . . . . . . . 5355 1 931 . 1 1 179 179 GLY C C 13 174.999 0.400 . 1 . . . . . . . . 5355 1 932 . 1 1 180 180 ARG N N 15 118.628 0.100 . 1 . . . . . . . . 5355 1 933 . 1 1 180 180 ARG H H 1 7.327 0.020 . 1 . . . . . . . . 5355 1 934 . 1 1 180 180 ARG CA C 13 56.667 0.400 . 1 . . . . . . . . 5355 1 935 . 1 1 180 180 ARG C C 13 174.750 0.400 . 1 . . . . . . . . 5355 1 936 . 1 1 180 180 ARG CB C 13 30.442 0.400 . 1 . . . . . . . . 5355 1 937 . 1 1 181 181 GLY N N 15 116.142 0.100 . 1 . . . . . . . . 5355 1 938 . 1 1 181 181 GLY H H 1 9.319 0.020 . 1 . . . . . . . . 5355 1 939 . 1 1 181 181 GLY CA C 13 43.286 0.400 . 1 . . . . . . . . 5355 1 940 . 1 1 181 181 GLY C C 13 172.486 0.400 . 1 . . . . . . . . 5355 1 941 . 1 1 182 182 THR N N 15 116.196 0.100 . 1 . . . . . . . . 5355 1 942 . 1 1 182 182 THR H H 1 7.848 0.020 . 1 . . . . . . . . 5355 1 943 . 1 1 182 182 THR CA C 13 61.462 0.400 . 1 . . . . . . . . 5355 1 944 . 1 1 182 182 THR HA H 1 5.344 0.020 . 1 . . . . . . . . 5355 1 945 . 1 1 182 182 THR C C 13 173.757 0.400 . 1 . . . . . . . . 5355 1 946 . 1 1 182 182 THR CB C 13 72.102 0.400 . 1 . . . . . . . . 5355 1 947 . 1 1 183 183 ILE N N 15 125.082 0.100 . 1 . . . . . . . . 5355 1 948 . 1 1 183 183 ILE H H 1 9.992 0.020 . 1 . . . . . . . . 5355 1 949 . 1 1 183 183 ILE CA C 13 61.080 0.400 . 1 . . . . . . . . 5355 1 950 . 1 1 183 183 ILE HA H 1 4.504 0.020 . 1 . . . . . . . . 5355 1 951 . 1 1 183 183 ILE C C 13 175.248 0.400 . 1 . . . . . . . . 5355 1 952 . 1 1 183 183 ILE CB C 13 41.076 0.400 . 1 . . . . . . . . 5355 1 953 . 1 1 184 184 LEU N N 15 128.326 0.100 . 1 . . . . . . . . 5355 1 954 . 1 1 184 184 LEU H H 1 9.133 0.020 . 1 . . . . . . . . 5355 1 955 . 1 1 184 184 LEU CA C 13 53.524 0.400 . 1 . . . . . . . . 5355 1 956 . 1 1 184 184 LEU HA H 1 4.900 0.020 . 1 . . . . . . . . 5355 1 957 . 1 1 184 184 LEU C C 13 175.646 0.400 . 1 . . . . . . . . 5355 1 958 . 1 1 184 184 LEU CB C 13 42.007 0.400 . 1 . . . . . . . . 5355 1 959 . 1 1 185 185 ARG N N 15 125.094 0.100 . 1 . . . . . . . . 5355 1 960 . 1 1 185 185 ARG H H 1 9.668 0.020 . 1 . . . . . . . . 5355 1 961 . 1 1 185 185 ARG CA C 13 55.009 0.400 . 1 . . . . . . . . 5355 1 962 . 1 1 185 185 ARG HA H 1 4.483 0.020 . 1 . . . . . . . . 5355 1 963 . 1 1 185 185 ARG C C 13 173.658 0.400 . 1 . . . . . . . . 5355 1 964 . 1 1 185 185 ARG CB C 13 30.656 0.400 . 1 . . . . . . . . 5355 1 965 . 1 1 186 186 LEU N N 15 125.493 0.100 . 1 . . . . . . . . 5355 1 966 . 1 1 186 186 LEU H H 1 8.829 0.020 . 1 . . . . . . . . 5355 1 967 . 1 1 186 186 LEU CA C 13 54.344 0.400 . 1 . . . . . . . . 5355 1 968 . 1 1 186 186 LEU HA H 1 4.441 0.020 . 1 . . . . . . . . 5355 1 969 . 1 1 186 186 LEU C C 13 175.505 0.400 . 1 . . . . . . . . 5355 1 970 . 1 1 186 186 LEU CB C 13 41.812 0.400 . 1 . . . . . . . . 5355 1 971 . 1 1 187 187 PHE N N 15 123.661 0.100 . 1 . . . . . . . . 5355 1 972 . 1 1 187 187 PHE H H 1 8.146 0.020 . 1 . . . . . . . . 5355 1 973 . 1 1 187 187 PHE CA C 13 57.007 0.400 . 1 . . . . . . . . 5355 1 974 . 1 1 187 187 PHE HA H 1 4.576 0.020 . 1 . . . . . . . . 5355 1 975 . 1 1 187 187 PHE C C 13 175.705 0.400 . 1 . . . . . . . . 5355 1 976 . 1 1 187 187 PHE CB C 13 36.105 0.400 . 1 . . . . . . . . 5355 1 977 . 1 1 188 188 LEU N N 15 121.766 0.100 . 1 . . . . . . . . 5355 1 978 . 1 1 188 188 LEU H H 1 7.745 0.020 . 1 . . . . . . . . 5355 1 979 . 1 1 188 188 LEU CA C 13 55.293 0.400 . 1 . . . . . . . . 5355 1 980 . 1 1 188 188 LEU HA H 1 4.345 0.020 . 1 . . . . . . . . 5355 1 981 . 1 1 188 188 LEU C C 13 178.288 0.400 . 1 . . . . . . . . 5355 1 982 . 1 1 188 188 LEU CB C 13 41.921 0.400 . 1 . . . . . . . . 5355 1 983 . 1 1 189 189 LYS N N 15 119.970 0.100 . 1 . . . . . . . . 5355 1 984 . 1 1 189 189 LYS H H 1 8.480 0.020 . 1 . . . . . . . . 5355 1 985 . 1 1 189 189 LYS CA C 13 56.080 0.400 . 1 . . . . . . . . 5355 1 986 . 1 1 189 189 LYS HA H 1 4.269 0.020 . 1 . . . . . . . . 5355 1 987 . 1 1 189 189 LYS C C 13 178.899 0.400 . 1 . . . . . . . . 5355 1 988 . 1 1 189 189 LYS CB C 13 34.005 0.400 . 1 . . . . . . . . 5355 1 989 . 1 1 190 190 ASP N N 15 118.882 0.100 . 1 . . . . . . . . 5355 1 990 . 1 1 190 190 ASP H H 1 8.660 0.020 . 1 . . . . . . . . 5355 1 991 . 1 1 190 190 ASP CA C 13 57.038 0.400 . 1 . . . . . . . . 5355 1 992 . 1 1 190 190 ASP HA H 1 4.312 0.020 . 1 . . . . . . . . 5355 1 993 . 1 1 190 190 ASP C C 13 177.649 0.400 . 1 . . . . . . . . 5355 1 994 . 1 1 190 190 ASP CB C 13 40.279 0.400 . 1 . . . . . . . . 5355 1 995 . 1 1 191 191 ASP N N 15 113.860 0.100 . 1 . . . . . . . . 5355 1 996 . 1 1 191 191 ASP H H 1 8.440 0.020 . 1 . . . . . . . . 5355 1 997 . 1 1 191 191 ASP CA C 13 53.050 0.400 . 1 . . . . . . . . 5355 1 998 . 1 1 191 191 ASP HA H 1 4.842 0.020 . 1 . . . . . . . . 5355 1 999 . 1 1 191 191 ASP C C 13 177.856 0.400 . 1 . . . . . . . . 5355 1 1000 . 1 1 191 191 ASP CB C 13 39.141 0.400 . 1 . . . . . . . . 5355 1 1001 . 1 1 192 192 GLN N N 15 119.753 0.100 . 1 . . . . . . . . 5355 1 1002 . 1 1 192 192 GLN H H 1 8.020 0.020 . 1 . . . . . . . . 5355 1 1003 . 1 1 192 192 GLN CA C 13 53.705 0.400 . 1 . . . . . . . . 5355 1 1004 . 1 1 192 192 GLN HA H 1 4.961 0.020 . 1 . . . . . . . . 5355 1 1005 . 1 1 192 192 GLN C C 13 176.239 0.400 . 1 . . . . . . . . 5355 1 1006 . 1 1 192 192 GLN CB C 13 27.233 0.400 . 1 . . . . . . . . 5355 1 1007 . 1 1 193 193 LEU N N 15 115.001 0.100 . 1 . . . . . . . . 5355 1 1008 . 1 1 193 193 LEU H H 1 7.733 0.020 . 1 . . . . . . . . 5355 1 1009 . 1 1 193 193 LEU CA C 13 56.091 0.400 . 1 . . . . . . . . 5355 1 1010 . 1 1 193 193 LEU HA H 1 4.035 0.020 . 1 . . . . . . . . 5355 1 1011 . 1 1 193 193 LEU C C 13 180.426 0.400 . 1 . . . . . . . . 5355 1 1012 . 1 1 193 193 LEU CB C 13 38.179 0.400 . 1 . . . . . . . . 5355 1 1013 . 1 1 194 194 GLU N N 15 120.864 0.100 . 1 . . . . . . . . 5355 1 1014 . 1 1 194 194 GLU H H 1 8.704 0.020 . 1 . . . . . . . . 5355 1 1015 . 1 1 194 194 GLU CA C 13 57.907 0.400 . 1 . . . . . . . . 5355 1 1016 . 1 1 194 194 GLU C C 13 177.252 0.400 . 1 . . . . . . . . 5355 1 1017 . 1 1 194 194 GLU CB C 13 27.848 0.400 . 1 . . . . . . . . 5355 1 1018 . 1 1 195 195 TYR N N 15 114.477 0.100 . 1 . . . . . . . . 5355 1 1019 . 1 1 195 195 TYR H H 1 6.724 0.020 . 1 . . . . . . . . 5355 1 1020 . 1 1 195 195 TYR CA C 13 59.971 0.400 . 1 . . . . . . . . 5355 1 1021 . 1 1 195 195 TYR HA H 1 4.191 0.020 . 1 . . . . . . . . 5355 1 1022 . 1 1 195 195 TYR CB C 13 36.456 0.400 . 1 . . . . . . . . 5355 1 1023 . 1 1 196 196 LEU N N 15 110.977 0.100 . 1 . . . . . . . . 5355 1 1024 . 1 1 196 196 LEU H H 1 7.356 0.020 . 1 . . . . . . . . 5355 1 1025 . 1 1 196 196 LEU CA C 13 53.684 0.400 . 1 . . . . . . . . 5355 1 1026 . 1 1 196 196 LEU HA H 1 4.365 0.020 . 1 . . . . . . . . 5355 1 1027 . 1 1 196 196 LEU C C 13 177.516 0.400 . 1 . . . . . . . . 5355 1 1028 . 1 1 196 196 LEU CB C 13 41.371 0.400 . 1 . . . . . . . . 5355 1 1029 . 1 1 197 197 GLU N N 15 117.556 0.100 . 1 . . . . . . . . 5355 1 1030 . 1 1 197 197 GLU H H 1 7.461 0.020 . 1 . . . . . . . . 5355 1 1031 . 1 1 197 197 GLU CA C 13 55.020 0.400 . 1 . . . . . . . . 5355 1 1032 . 1 1 197 197 GLU HA H 1 4.315 0.020 . 1 . . . . . . . . 5355 1 1033 . 1 1 197 197 GLU C C 13 177.595 0.400 . 1 . . . . . . . . 5355 1 1034 . 1 1 197 197 GLU CB C 13 29.203 0.400 . 1 . . . . . . . . 5355 1 1035 . 1 1 198 198 GLU N N 15 127.304 0.100 . 1 . . . . . . . . 5355 1 1036 . 1 1 198 198 GLU H H 1 9.064 0.020 . 1 . . . . . . . . 5355 1 1037 . 1 1 198 198 GLU CA C 13 60.431 0.400 . 1 . . . . . . . . 5355 1 1038 . 1 1 198 198 GLU C C 13 178.345 0.400 . 1 . . . . . . . . 5355 1 1039 . 1 1 198 198 GLU CB C 13 28.857 0.400 . 1 . . . . . . . . 5355 1 1040 . 1 1 199 199 LYS N N 15 116.684 0.100 . 1 . . . . . . . . 5355 1 1041 . 1 1 199 199 LYS H H 1 8.890 0.020 . 1 . . . . . . . . 5355 1 1042 . 1 1 199 199 LYS CA C 13 59.539 0.400 . 1 . . . . . . . . 5355 1 1043 . 1 1 199 199 LYS HA H 1 3.926 0.020 . 1 . . . . . . . . 5355 1 1044 . 1 1 199 199 LYS C C 13 179.372 0.400 . 1 . . . . . . . . 5355 1 1045 . 1 1 199 199 LYS CB C 13 31.395 0.400 . 1 . . . . . . . . 5355 1 1046 . 1 1 200 200 ARG N N 15 119.938 0.100 . 1 . . . . . . . . 5355 1 1047 . 1 1 200 200 ARG H H 1 6.905 0.020 . 1 . . . . . . . . 5355 1 1048 . 1 1 200 200 ARG CA C 13 56.861 0.400 . 1 . . . . . . . . 5355 1 1049 . 1 1 200 200 ARG HA H 1 4.219 0.020 . 1 . . . . . . . . 5355 1 1050 . 1 1 200 200 ARG C C 13 178.618 0.400 . 1 . . . . . . . . 5355 1 1051 . 1 1 200 200 ARG CB C 13 29.057 0.400 . 1 . . . . . . . . 5355 1 1052 . 1 1 201 201 ILE N N 15 118.554 0.100 . 1 . . . . . . . . 5355 1 1053 . 1 1 201 201 ILE H H 1 8.126 0.020 . 1 . . . . . . . . 5355 1 1054 . 1 1 201 201 ILE CA C 13 65.322 0.400 . 1 . . . . . . . . 5355 1 1055 . 1 1 201 201 ILE HA H 1 3.462 0.020 . 1 . . . . . . . . 5355 1 1056 . 1 1 201 201 ILE C C 13 178.866 0.400 . 1 . . . . . . . . 5355 1 1057 . 1 1 201 201 ILE CB C 13 37.267 0.400 . 1 . . . . . . . . 5355 1 1058 . 1 1 202 202 LYS N N 15 116.446 0.100 . 1 . . . . . . . . 5355 1 1059 . 1 1 202 202 LYS H H 1 8.473 0.020 . 1 . . . . . . . . 5355 1 1060 . 1 1 202 202 LYS CA C 13 60.208 0.400 . 1 . . . . . . . . 5355 1 1061 . 1 1 202 202 LYS HA H 1 3.787 0.020 . 1 . . . . . . . . 5355 1 1062 . 1 1 202 202 LYS C C 13 179.799 0.400 . 1 . . . . . . . . 5355 1 1063 . 1 1 202 202 LYS CB C 13 31.733 0.400 . 1 . . . . . . . . 5355 1 1064 . 1 1 203 203 GLU N N 15 119.536 0.100 . 1 . . . . . . . . 5355 1 1065 . 1 1 203 203 GLU H H 1 7.667 0.020 . 1 . . . . . . . . 5355 1 1066 . 1 1 203 203 GLU CA C 13 58.832 0.400 . 1 . . . . . . . . 5355 1 1067 . 1 1 203 203 GLU HA H 1 4.019 0.020 . 1 . . . . . . . . 5355 1 1068 . 1 1 203 203 GLU C C 13 179.561 0.400 . 1 . . . . . . . . 5355 1 1069 . 1 1 203 203 GLU CB C 13 28.917 0.400 . 1 . . . . . . . . 5355 1 1070 . 1 1 204 204 VAL N N 15 120.845 0.100 . 1 . . . . . . . . 5355 1 1071 . 1 1 204 204 VAL H H 1 8.032 0.020 . 1 . . . . . . . . 5355 1 1072 . 1 1 204 204 VAL CA C 13 66.389 0.400 . 1 . . . . . . . . 5355 1 1073 . 1 1 204 204 VAL C C 13 179.465 0.400 . 1 . . . . . . . . 5355 1 1074 . 1 1 204 204 VAL CB C 13 30.887 0.400 . 1 . . . . . . . . 5355 1 1075 . 1 1 205 205 ILE N N 15 119.725 0.100 . 1 . . . . . . . . 5355 1 1076 . 1 1 205 205 ILE H H 1 8.369 0.020 . 1 . . . . . . . . 5355 1 1077 . 1 1 205 205 ILE CA C 13 64.705 0.400 . 1 . . . . . . . . 5355 1 1078 . 1 1 205 205 ILE HA H 1 3.603 0.020 . 1 . . . . . . . . 5355 1 1079 . 1 1 205 205 ILE C C 13 178.830 0.400 . 1 . . . . . . . . 5355 1 1080 . 1 1 205 205 ILE CB C 13 37.023 0.400 . 1 . . . . . . . . 5355 1 1081 . 1 1 206 206 LYS N N 15 119.231 0.100 . 1 . . . . . . . . 5355 1 1082 . 1 1 206 206 LYS H H 1 7.894 0.020 . 1 . . . . . . . . 5355 1 1083 . 1 1 206 206 LYS CA C 13 58.281 0.400 . 1 . . . . . . . . 5355 1 1084 . 1 1 206 206 LYS C C 13 178.471 0.400 . 1 . . . . . . . . 5355 1 1085 . 1 1 206 206 LYS CB C 13 31.181 0.400 . 1 . . . . . . . . 5355 1 1086 . 1 1 207 207 ARG N N 15 115.680 0.100 . 1 . . . . . . . . 5355 1 1087 . 1 1 207 207 ARG H H 1 7.503 0.020 . 1 . . . . . . . . 5355 1 1088 . 1 1 207 207 ARG CA C 13 58.050 0.400 . 1 . . . . . . . . 5355 1 1089 . 1 1 207 207 ARG HA H 1 3.978 0.020 . 1 . . . . . . . . 5355 1 1090 . 1 1 207 207 ARG C C 13 178.870 0.400 . 1 . . . . . . . . 5355 1 1091 . 1 1 207 207 ARG CB C 13 30.079 0.400 . 1 . . . . . . . . 5355 1 1092 . 1 1 208 208 HIS N N 15 113.267 0.100 . 1 . . . . . . . . 5355 1 1093 . 1 1 208 208 HIS H H 1 7.713 0.020 . 1 . . . . . . . . 5355 1 1094 . 1 1 208 208 HIS CA C 13 57.105 0.400 . 1 . . . . . . . . 5355 1 1095 . 1 1 208 208 HIS HA H 1 4.890 0.020 . 1 . . . . . . . . 5355 1 1096 . 1 1 208 208 HIS C C 13 177.782 0.400 . 1 . . . . . . . . 5355 1 1097 . 1 1 208 208 HIS CB C 13 33.206 0.400 . 1 . . . . . . . . 5355 1 1098 . 1 1 209 209 SER N N 15 115.767 0.100 . 1 . . . . . . . . 5355 1 1099 . 1 1 209 209 SER H H 1 8.420 0.020 . 1 . . . . . . . . 5355 1 1100 . 1 1 209 209 SER CA C 13 57.908 0.400 . 1 . . . . . . . . 5355 1 1101 . 1 1 209 209 SER C C 13 175.789 0.400 . 1 . . . . . . . . 5355 1 1102 . 1 1 209 209 SER CB C 13 63.437 0.400 . 1 . . . . . . . . 5355 1 1103 . 1 1 210 210 GLU N N 15 121.117 0.100 . 1 . . . . . . . . 5355 1 1104 . 1 1 210 210 GLU H H 1 8.006 0.020 . 1 . . . . . . . . 5355 1 1105 . 1 1 210 210 GLU CA C 13 58.276 0.400 . 1 . . . . . . . . 5355 1 1106 . 1 1 210 210 GLU HA H 1 3.830 0.020 . 1 . . . . . . . . 5355 1 1107 . 1 1 210 210 GLU C C 13 177.431 0.400 . 1 . . . . . . . . 5355 1 1108 . 1 1 210 210 GLU CB C 13 28.898 0.400 . 1 . . . . . . . . 5355 1 1109 . 1 1 211 211 PHE N N 15 114.689 0.100 . 1 . . . . . . . . 5355 1 1110 . 1 1 211 211 PHE H H 1 8.034 0.020 . 1 . . . . . . . . 5355 1 1111 . 1 1 211 211 PHE CA C 13 56.623 0.400 . 1 . . . . . . . . 5355 1 1112 . 1 1 211 211 PHE HA H 1 4.657 0.020 . 1 . . . . . . . . 5355 1 1113 . 1 1 211 211 PHE C C 13 176.265 0.400 . 1 . . . . . . . . 5355 1 1114 . 1 1 211 211 PHE CB C 13 37.548 0.400 . 1 . . . . . . . . 5355 1 1115 . 1 1 211 211 PHE HB2 H 1 2.900 0.020 . 2 . . . . . . . . 5355 1 1116 . 1 1 211 211 PHE HB3 H 1 3.269 0.020 . 2 . . . . . . . . 5355 1 1117 . 1 1 212 212 VAL N N 15 122.452 0.100 . 1 . . . . . . . . 5355 1 1118 . 1 1 212 212 VAL H H 1 7.219 0.020 . 1 . . . . . . . . 5355 1 1119 . 1 1 212 212 VAL CA C 13 62.621 0.400 . 1 . . . . . . . . 5355 1 1120 . 1 1 212 212 VAL HA H 1 3.974 0.020 . 1 . . . . . . . . 5355 1 1121 . 1 1 212 212 VAL C C 13 176.800 0.400 . 1 . . . . . . . . 5355 1 1122 . 1 1 212 212 VAL CB C 13 31.681 0.400 . 1 . . . . . . . . 5355 1 1123 . 1 1 213 213 ALA N N 15 129.306 0.100 . 1 . . . . . . . . 5355 1 1124 . 1 1 213 213 ALA H H 1 8.925 0.020 . 1 . . . . . . . . 5355 1 1125 . 1 1 213 213 ALA CA C 13 52.662 0.400 . 1 . . . . . . . . 5355 1 1126 . 1 1 213 213 ALA HA H 1 4.094 0.020 . 1 . . . . . . . . 5355 1 1127 . 1 1 213 213 ALA C C 13 176.710 0.400 . 1 . . . . . . . . 5355 1 1128 . 1 1 213 213 ALA CB C 13 18.235 0.400 . 1 . . . . . . . . 5355 1 1129 . 1 1 213 213 ALA HB1 H 1 1.085 0.020 . 1 . . . . . . . . 5355 1 1130 . 1 1 213 213 ALA HB2 H 1 1.085 0.020 . 1 . . . . . . . . 5355 1 1131 . 1 1 213 213 ALA HB3 H 1 1.085 0.020 . 1 . . . . . . . . 5355 1 1132 . 1 1 214 214 TYR N N 15 116.484 0.100 . 1 . . . . . . . . 5355 1 1133 . 1 1 214 214 TYR H H 1 6.698 0.020 . 1 . . . . . . . . 5355 1 1134 . 1 1 214 214 TYR CA C 13 55.428 0.400 . 1 . . . . . . . . 5355 1 1135 . 1 1 214 214 TYR C C 13 172.509 0.400 . 1 . . . . . . . . 5355 1 1136 . 1 1 214 214 TYR CB C 13 39.707 0.400 . 1 . . . . . . . . 5355 1 1137 . 1 1 215 215 PRO CA C 13 62.844 0.400 . 1 . . . . . . . . 5355 1 1138 . 1 1 215 215 PRO C C 13 175.703 0.400 . 1 . . . . . . . . 5355 1 1139 . 1 1 216 216 ILE N N 15 121.212 0.100 . 1 . . . . . . . . 5355 1 1140 . 1 1 216 216 ILE H H 1 7.994 0.020 . 1 . . . . . . . . 5355 1 1141 . 1 1 216 216 ILE CA C 13 59.988 0.400 . 1 . . . . . . . . 5355 1 1142 . 1 1 216 216 ILE HA H 1 4.669 0.020 . 1 . . . . . . . . 5355 1 1143 . 1 1 216 216 ILE C C 13 177.093 0.400 . 1 . . . . . . . . 5355 1 1144 . 1 1 216 216 ILE CB C 13 37.446 0.400 . 1 . . . . . . . . 5355 1 1145 . 1 1 217 217 GLN N N 15 128.630 0.100 . 1 . . . . . . . . 5355 1 1146 . 1 1 217 217 GLN H H 1 9.555 0.020 . 1 . . . . . . . . 5355 1 1147 . 1 1 217 217 GLN CA C 13 55.045 0.400 . 1 . . . . . . . . 5355 1 1148 . 1 1 217 217 GLN HA H 1 4.421 0.020 . 1 . . . . . . . . 5355 1 1149 . 1 1 217 217 GLN C C 13 174.213 0.400 . 1 . . . . . . . . 5355 1 1150 . 1 1 217 217 GLN CB C 13 28.660 0.400 . 1 . . . . . . . . 5355 1 1151 . 1 1 218 218 LEU N N 15 128.958 0.100 . 1 . . . . . . . . 5355 1 1152 . 1 1 218 218 LEU H H 1 7.716 0.020 . 1 . . . . . . . . 5355 1 1153 . 1 1 218 218 LEU CA C 13 56.589 0.400 . 1 . . . . . . . . 5355 1 1154 . 1 1 218 218 LEU HA H 1 4.699 0.020 . 1 . . . . . . . . 5355 1 1155 . 1 1 218 218 LEU C C 13 182.369 0.400 . 1 . . . . . . . . 5355 1 1156 . 1 1 218 218 LEU CB C 13 43.745 0.400 . 1 . . . . . . . . 5355 1 1157 . 1 1 218 218 LEU HB2 H 1 1.506 0.020 . 2 . . . . . . . . 5355 1 1158 . 1 1 218 218 LEU HB3 H 1 1.707 0.020 . 2 . . . . . . . . 5355 1 stop_ save_