data_5599 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5599 _Entry.Title ; The Tertiary Structure and Backbone Dynamics of Human Prolactin: Evidence for Reversible Oligomerization in Solution ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-11-25 _Entry.Accession_date 2002-11-26 _Entry.Last_release_date 2003-05-14 _Entry.Original_release_date 2003-05-14 _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 Camille Keeler . . . 5599 2 Priscilla Dannies . S. . 5599 3 Michael Hodsdon . E. . 5599 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5599 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 814 5599 '13C chemical shifts' 668 5599 '15N chemical shifts' 170 5599 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 . . 2003-05-14 2002-11-25 original author . 5599 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5599 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22616165 _Citation.DOI . _Citation.PubMed_ID 12729745 _Citation.Full_citation . _Citation.Title 'The Tertiary Structure and Backbone Dynamics of Human Prolactin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 328 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1105 _Citation.Page_last 1121 _Citation.Year 2003 _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 Camille Keeler . . . 5599 1 2 Priscilla Dannies . S. . 5599 1 3 Michael Hodsdon . E. . 5599 1 stop_ save_ save_reference_1 _Citation.Sf_category citations _Citation.Sf_framecode reference_1 _Citation.Entry_ID 5599 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8520220 _Citation.Full_citation ; F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J.Biomol. NMR. 6, 277-293 (1995) ; _Citation.Title 'NMRPipe: a multidimensional spectral processing system based on UNIX pipes.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 6 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0925-2738 _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 277 _Citation.Page_last 293 _Citation.Year 1995 _Citation.Details ; The NMRPipe system is a UNIX software environment of processing, graphics, and analysis tools designed to meet current routine and research-oriented multidimensional processing requirements, and to anticipate and accommodate future demands and developments. The system is based on UNIX pipes, which allow programs running simultaneously to exchange streams of data under user control. In an NMRPipe processing scheme, a stream of spectral data flows through a pipeline of processing programs, each of which performs one component of the overall scheme, such as Fourier transformation or linear prediction. Complete multidimensional processing schemes are constructed as simple UNIX shell scripts. The processing modules themselves maintain and exploit accurate records of data sizes, detection modes, and calibration information in all dimensions, so that schemes can be constructed without the need to explicitly define or anticipate data sizes or storage details of real and imaginary channels during processing. The asynchronous pipeline scheme provides other substantial advantages, including high flexibility, favorable processing speeds, choice of both all-in-memory and disk-bound processing, easy adaptation to different data formats, simpler software development and maintenance, and the ability to distribute processing tasks on multi-CPU computers and computer networks. ; 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 F. Delaglio F. . . 5599 2 2 S. Grzesiek S. . . 5599 2 3 'G. W.' Vuister G. W. . 5599 2 4 G. Zhu G. . . 5599 2 5 J. Pfeifer J. . . 5599 2 6 A. Bax A. . . 5599 2 stop_ save_ save_reference_2 _Citation.Sf_category citations _Citation.Sf_framecode reference_2 _Citation.Entry_ID 5599 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; J. Vavanagh, W. J. Fairbrother, A. G. Palmer, N. J. Skelton; Protein NMR spectroscopy : principles and practice. Academic Press, New York (1996) pp 175-176 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_3 _Citation.Sf_category citations _Citation.Sf_framecode reference_3 _Citation.Entry_ID 5599 _Citation.ID 4 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; T. D. Goddard and D. G. Kneller, SPARKY 3, University of California, San Francisco ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_4 _Citation.Sf_category citations _Citation.Sf_framecode reference_4 _Citation.Entry_ID 5599 _Citation.ID 5 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; NMRView: A computer program for the visualization and analysis of NMR data (1994) B. A. Johnson and R. A. Blevins, J. Biomol. NMR 4:603-614 ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_reference_5 _Citation.Sf_category citations _Citation.Sf_framecode reference_5 _Citation.Entry_ID 5599 _Citation.ID 6 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12051947 _Citation.Full_citation ; Protein NMR Structure Determination with Automated NOE Assignment using the New Software CANDID and the Torsion Angle Dynamics Algorithm DYANA. Herrmann T., Guntert P. & Wuthrich K. J. Mol. Biol. 2002 May 24; 319(1): 209-227. ; _Citation.Title 'Protein NMR structure determination with automated NOE assignment using the new software CANDID and the torsion angle dynamics algorithm DYANA.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of molecular biology' _Citation.Journal_volume 319 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 0022-2836 _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 209 _Citation.Page_last 227 _Citation.Year 2002 _Citation.Details ; Combined automated NOE assignment and structure determination module (CANDID) is a new software for efficient NMR structure determination of proteins by automated assignment of the NOESY spectra. CANDID uses an iterative approach with multiple cycles of NOE cross-peak assignment and protein structure calculation using the fast DYANA torsion angle dynamics algorithm, so that the result from each CANDID cycle consists of exhaustive, possibly ambiguous NOE cross-peak assignments in all available spectra and a three-dimensional protein structure represented by a bundle of conformers. The input for the first CANDID cycle consists of the amino acid sequence, the chemical shift list from the sequence-specific resonance assignment, and listings of the cross-peak positions and volumes in one or several two, three or four-dimensional NOESY spectra. The input for the second and subsequent CANDID cycles contains the three-dimensional protein structure from the previous cycle, in addition to the complete input used for the first cycle. CANDID includes two new elements that make it robust with respect to the presence of artifacts in the input data, i.e. network-anchoring and constraint-combination, which have a key role in de novo protein structure determinations for the successful generation of the correct polypeptide fold by the first CANDID cycle. Network-anchoring makes use of the fact that any network of correct NOE cross-peak assignments forms a self-consistent set; the initial, chemical shift-based assignments for each individual NOE cross-peak are therefore weighted by the extent to which they can be embedded into the network formed by all other NOE cross-peak assignments. Constraint-combination reduces the deleterious impact of artifact NOE upper distance constraints in the input for a protein structure calculation by combining the assignments for two or several peaks into a single upper limit distance constraint, which lowers the probability that the presence of an artifact peak will influence the outcome of the structure calculation. CANDID test calculations were performed with NMR data sets of four proteins for which high-quality structures had previously been solved by interactive protocols, and they yielded comparable results to these reference structure determinations with regard to both the residual constraint violations, and the precision and accuracy of the atomic coordinates. The CANDID approach has further been validated by de novo NMR structure determinations of four additional proteins. The experience gained in these calculations shows that once nearly complete sequence-specific resonance assignments are available, the automated CANDID approach results in greatly enhanced efficiency of the NOESY spectral analysis. The fact that the correct fold is obtained in cycle 1 of a de novo structure calculation is the single most important advance achieved with CANDID, when compared with previously proposed automated NOESY assignment methods that do not use network-anchoring and constraint-combination. ; 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 Torsten Herrmann T. . . 5599 6 2 Peter Guntert P. . . 5599 6 3 Kurt Wuthrich K. . . 5599 6 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_hPrl _Assembly.Sf_category assembly _Assembly.Sf_framecode system_hPrl _Assembly.Entry_ID 5599 _Assembly.ID 1 _Assembly.Name 'Human Prolactin' _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5599 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 prolactin 1 $hPrl . . . native . . . . . 5599 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 4 4 SG . 1 . 1 CYS 11 11 SG . . . . . . . . . . 5599 1 2 disulfide single . 1 . . CYS 58 58 SG . 1 . 1 CYS 174 174 SG . . . . . . . . . . 5599 1 3 disulfide single . 1 . . CYS 191 191 SG . 1 . 1 CYS 199 199 SG . . . . . . . . . . 5599 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 . PDB 1N9D . . . . . . 5599 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Human Prolactin' system 5599 1 hPrl abbreviation 5599 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_hPrl _Entity.Sf_category entity _Entity.Sf_framecode hPrl _Entity.Entry_ID 5599 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Human Prolactin' _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 ; LPICPGGAARCQVTLRDLFD RAVVLSHYIHNLSSEMFSEF DKRYTHGRGFITKAINSCHT SSLATPEDKEQAQQMNQKDF LSLIVSILRSWNEPLYHLVT EVRGMQEAPEAILSKAVEIE EQTKRLLEGMELIVSQVHPE TKENEIYPVWSGLPSLQMAD EESRLSAYYNLLHCLRRDSH KIDNYLKLLKCRIIHNNNC ; _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 199 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 15773 . hPrl . . . . . 100.00 199 100.00 100.00 1.02e-145 . . . . 5599 1 2 no BMRB 6643 . hPRL . . . . . 100.00 199 100.00 100.00 1.02e-145 . . . . 5599 1 3 no PDB 1RW5 . "Solution Structure Of Human Prolactin" . . . . . 100.00 199 100.00 100.00 1.02e-145 . . . . 5599 1 4 no PDB 2Q98 . "X-Ray Structure Of A Prolactin Antagonist" . . . . . 95.48 191 98.95 98.95 2.21e-135 . . . . 5599 1 5 no PDB 3D48 . "Crystal Structure Of A Prolactin Receptor Antagonist Bound To The Extracellular Domain Of The Prolactin Receptor" . . . . . 93.97 188 99.47 99.47 9.03e-134 . . . . 5599 1 6 no PDB 3MZG . "Crystal Structure Of A Human Prolactin Receptor Antagonist In Complex With The Extracellular Domain Of The Human Prolactin Rece" . . . . . 92.96 186 99.46 99.46 4.31e-132 . . . . 5599 1 7 no PDB 3N06 . "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 92.96 186 98.92 98.92 5.45e-131 . . . . 5599 1 8 no PDB 3N0P . "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 92.96 186 98.92 98.92 5.45e-131 . . . . 5599 1 9 no PDB 3NCB . "A Mutant Human Prolactin Receptor Antagonist H180a In Complex With The Extracellular Domain Of The Human Prolactin Receptor" . . . . . 92.96 186 98.92 98.92 5.45e-131 . . . . 5599 1 10 no PDB 3NCC . "A Human Prolactin Receptor Antagonist In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin Receptor" . . . . . 92.96 186 99.46 99.46 4.31e-132 . . . . 5599 1 11 no PDB 3NCE . "A Mutant Human Prolactin Receptor Antagonist H27a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " . . . . . 92.96 186 98.92 98.92 5.45e-131 . . . . 5599 1 12 no PDB 3NCF . "A Mutant Human Prolactin Receptor Antagonist H30a In Complex With The Mutant Extracellular Domain H188a Of The Human Prolactin " . . . . . 92.96 186 98.92 98.92 5.45e-131 . . . . 5599 1 13 no PDB 3NPZ . "Prolactin Receptor (Prlr) Complexed With The Natural Hormone (Prl)" . . . . . 100.00 199 100.00 100.00 1.02e-145 . . . . 5599 1 14 no DBJ BAA00312 . "prolactin PRL precursor [Homo sapiens]" . . . . . 100.00 217 98.99 99.50 5.01e-144 . . . . 5599 1 15 no DBJ BAI46568 . "prolactin [synthetic construct]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 16 no EMBL CAA23829 . "prolactin [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 17 no EMBL CAA25214 . "prolactin [Homo sapiens]" . . . . . 100.00 217 100.00 100.00 1.01e-145 . . . . 5599 1 18 no EMBL CAA38264 . "prolactin [Homo sapiens]" . . . . . 100.00 220 100.00 100.00 1.11e-145 . . . . 5599 1 19 no GB AAA18471 . "prolactin [Macaca mulatta]" . . . . . 100.00 227 97.99 99.50 1.12e-142 . . . . 5599 1 20 no GB AAA60173 . "prolactin, partial [Homo sapiens]" . . . . . 100.00 217 99.50 99.50 1.66e-144 . . . . 5599 1 21 no GB AAB70858 . "preprolactin, partial [Homo sapiens]" . . . . . 86.93 191 98.84 98.84 2.01e-122 . . . . 5599 1 22 no GB AAH15850 . "Prolactin [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 23 no GB AAH88370 . "Prolactin [Homo sapiens]" . . . . . 100.00 228 100.00 100.00 2.44e-145 . . . . 5599 1 24 no PRF 1005222A . prolactin . . . . . 100.00 217 100.00 100.00 1.01e-145 . . . . 5599 1 25 no REF NP_000939 . "prolactin precursor [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 26 no REF NP_001040593 . "prolactin precursor [Macaca mulatta]" . . . . . 100.00 227 97.99 99.50 1.12e-142 . . . . 5599 1 27 no REF NP_001157030 . "prolactin precursor [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 28 no REF XP_002816520 . "PREDICTED: prolactin [Pongo abelii]" . . . . . 100.00 227 98.99 99.50 2.35e-143 . . . . 5599 1 29 no REF XP_003263607 . "PREDICTED: prolactin [Nomascus leucogenys]" . . . . . 100.00 227 99.50 100.00 2.12e-144 . . . . 5599 1 30 no SP P01236 . "RecName: Full=Prolactin; Short=PRL; Flags: Precursor [Homo sapiens]" . . . . . 100.00 227 100.00 100.00 3.23e-145 . . . . 5599 1 31 no SP P55151 . "RecName: Full=Prolactin; Short=PRL; Flags: Precursor [Macaca mulatta]" . . . . . 100.00 227 97.99 99.50 1.12e-142 . . . . 5599 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Human Prolactin' common 5599 1 hPrl abbreviation 5599 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 . LEU . 5599 1 2 . PRO . 5599 1 3 . ILE . 5599 1 4 . CYS . 5599 1 5 . PRO . 5599 1 6 . GLY . 5599 1 7 . GLY . 5599 1 8 . ALA . 5599 1 9 . ALA . 5599 1 10 . ARG . 5599 1 11 . CYS . 5599 1 12 . GLN . 5599 1 13 . VAL . 5599 1 14 . THR . 5599 1 15 . LEU . 5599 1 16 . ARG . 5599 1 17 . ASP . 5599 1 18 . LEU . 5599 1 19 . PHE . 5599 1 20 . ASP . 5599 1 21 . ARG . 5599 1 22 . ALA . 5599 1 23 . VAL . 5599 1 24 . VAL . 5599 1 25 . LEU . 5599 1 26 . SER . 5599 1 27 . HIS . 5599 1 28 . TYR . 5599 1 29 . ILE . 5599 1 30 . HIS . 5599 1 31 . ASN . 5599 1 32 . LEU . 5599 1 33 . SER . 5599 1 34 . SER . 5599 1 35 . GLU . 5599 1 36 . MET . 5599 1 37 . PHE . 5599 1 38 . SER . 5599 1 39 . GLU . 5599 1 40 . PHE . 5599 1 41 . ASP . 5599 1 42 . LYS . 5599 1 43 . ARG . 5599 1 44 . TYR . 5599 1 45 . THR . 5599 1 46 . HIS . 5599 1 47 . GLY . 5599 1 48 . ARG . 5599 1 49 . GLY . 5599 1 50 . PHE . 5599 1 51 . ILE . 5599 1 52 . THR . 5599 1 53 . LYS . 5599 1 54 . ALA . 5599 1 55 . ILE . 5599 1 56 . ASN . 5599 1 57 . SER . 5599 1 58 . CYS . 5599 1 59 . HIS . 5599 1 60 . THR . 5599 1 61 . SER . 5599 1 62 . SER . 5599 1 63 . LEU . 5599 1 64 . ALA . 5599 1 65 . THR . 5599 1 66 . PRO . 5599 1 67 . GLU . 5599 1 68 . ASP . 5599 1 69 . LYS . 5599 1 70 . GLU . 5599 1 71 . GLN . 5599 1 72 . ALA . 5599 1 73 . GLN . 5599 1 74 . GLN . 5599 1 75 . MET . 5599 1 76 . ASN . 5599 1 77 . GLN . 5599 1 78 . LYS . 5599 1 79 . ASP . 5599 1 80 . PHE . 5599 1 81 . LEU . 5599 1 82 . SER . 5599 1 83 . LEU . 5599 1 84 . ILE . 5599 1 85 . VAL . 5599 1 86 . SER . 5599 1 87 . ILE . 5599 1 88 . LEU . 5599 1 89 . ARG . 5599 1 90 . SER . 5599 1 91 . TRP . 5599 1 92 . ASN . 5599 1 93 . GLU . 5599 1 94 . PRO . 5599 1 95 . LEU . 5599 1 96 . TYR . 5599 1 97 . HIS . 5599 1 98 . LEU . 5599 1 99 . VAL . 5599 1 100 . THR . 5599 1 101 . GLU . 5599 1 102 . VAL . 5599 1 103 . ARG . 5599 1 104 . GLY . 5599 1 105 . MET . 5599 1 106 . GLN . 5599 1 107 . GLU . 5599 1 108 . ALA . 5599 1 109 . PRO . 5599 1 110 . GLU . 5599 1 111 . ALA . 5599 1 112 . ILE . 5599 1 113 . LEU . 5599 1 114 . SER . 5599 1 115 . LYS . 5599 1 116 . ALA . 5599 1 117 . VAL . 5599 1 118 . GLU . 5599 1 119 . ILE . 5599 1 120 . GLU . 5599 1 121 . GLU . 5599 1 122 . GLN . 5599 1 123 . THR . 5599 1 124 . LYS . 5599 1 125 . ARG . 5599 1 126 . LEU . 5599 1 127 . LEU . 5599 1 128 . GLU . 5599 1 129 . GLY . 5599 1 130 . MET . 5599 1 131 . GLU . 5599 1 132 . LEU . 5599 1 133 . ILE . 5599 1 134 . VAL . 5599 1 135 . SER . 5599 1 136 . GLN . 5599 1 137 . VAL . 5599 1 138 . HIS . 5599 1 139 . PRO . 5599 1 140 . GLU . 5599 1 141 . THR . 5599 1 142 . LYS . 5599 1 143 . GLU . 5599 1 144 . ASN . 5599 1 145 . GLU . 5599 1 146 . ILE . 5599 1 147 . TYR . 5599 1 148 . PRO . 5599 1 149 . VAL . 5599 1 150 . TRP . 5599 1 151 . SER . 5599 1 152 . GLY . 5599 1 153 . LEU . 5599 1 154 . PRO . 5599 1 155 . SER . 5599 1 156 . LEU . 5599 1 157 . GLN . 5599 1 158 . MET . 5599 1 159 . ALA . 5599 1 160 . ASP . 5599 1 161 . GLU . 5599 1 162 . GLU . 5599 1 163 . SER . 5599 1 164 . ARG . 5599 1 165 . LEU . 5599 1 166 . SER . 5599 1 167 . ALA . 5599 1 168 . TYR . 5599 1 169 . TYR . 5599 1 170 . ASN . 5599 1 171 . LEU . 5599 1 172 . LEU . 5599 1 173 . HIS . 5599 1 174 . CYS . 5599 1 175 . LEU . 5599 1 176 . ARG . 5599 1 177 . ARG . 5599 1 178 . ASP . 5599 1 179 . SER . 5599 1 180 . HIS . 5599 1 181 . LYS . 5599 1 182 . ILE . 5599 1 183 . ASP . 5599 1 184 . ASN . 5599 1 185 . TYR . 5599 1 186 . LEU . 5599 1 187 . LYS . 5599 1 188 . LEU . 5599 1 189 . LEU . 5599 1 190 . LYS . 5599 1 191 . CYS . 5599 1 192 . ARG . 5599 1 193 . ILE . 5599 1 194 . ILE . 5599 1 195 . HIS . 5599 1 196 . ASN . 5599 1 197 . ASN . 5599 1 198 . ASN . 5599 1 199 . CYS . 5599 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 . LEU 1 1 5599 1 . PRO 2 2 5599 1 . ILE 3 3 5599 1 . CYS 4 4 5599 1 . PRO 5 5 5599 1 . GLY 6 6 5599 1 . GLY 7 7 5599 1 . ALA 8 8 5599 1 . ALA 9 9 5599 1 . ARG 10 10 5599 1 . CYS 11 11 5599 1 . GLN 12 12 5599 1 . VAL 13 13 5599 1 . THR 14 14 5599 1 . LEU 15 15 5599 1 . ARG 16 16 5599 1 . ASP 17 17 5599 1 . LEU 18 18 5599 1 . PHE 19 19 5599 1 . ASP 20 20 5599 1 . ARG 21 21 5599 1 . ALA 22 22 5599 1 . VAL 23 23 5599 1 . VAL 24 24 5599 1 . LEU 25 25 5599 1 . SER 26 26 5599 1 . HIS 27 27 5599 1 . TYR 28 28 5599 1 . ILE 29 29 5599 1 . HIS 30 30 5599 1 . ASN 31 31 5599 1 . LEU 32 32 5599 1 . SER 33 33 5599 1 . SER 34 34 5599 1 . GLU 35 35 5599 1 . MET 36 36 5599 1 . PHE 37 37 5599 1 . SER 38 38 5599 1 . GLU 39 39 5599 1 . PHE 40 40 5599 1 . ASP 41 41 5599 1 . LYS 42 42 5599 1 . ARG 43 43 5599 1 . TYR 44 44 5599 1 . THR 45 45 5599 1 . HIS 46 46 5599 1 . GLY 47 47 5599 1 . ARG 48 48 5599 1 . GLY 49 49 5599 1 . PHE 50 50 5599 1 . ILE 51 51 5599 1 . THR 52 52 5599 1 . LYS 53 53 5599 1 . ALA 54 54 5599 1 . ILE 55 55 5599 1 . ASN 56 56 5599 1 . SER 57 57 5599 1 . CYS 58 58 5599 1 . HIS 59 59 5599 1 . THR 60 60 5599 1 . SER 61 61 5599 1 . SER 62 62 5599 1 . LEU 63 63 5599 1 . ALA 64 64 5599 1 . THR 65 65 5599 1 . PRO 66 66 5599 1 . GLU 67 67 5599 1 . ASP 68 68 5599 1 . LYS 69 69 5599 1 . GLU 70 70 5599 1 . GLN 71 71 5599 1 . ALA 72 72 5599 1 . GLN 73 73 5599 1 . GLN 74 74 5599 1 . MET 75 75 5599 1 . ASN 76 76 5599 1 . GLN 77 77 5599 1 . LYS 78 78 5599 1 . ASP 79 79 5599 1 . PHE 80 80 5599 1 . LEU 81 81 5599 1 . SER 82 82 5599 1 . LEU 83 83 5599 1 . ILE 84 84 5599 1 . VAL 85 85 5599 1 . SER 86 86 5599 1 . ILE 87 87 5599 1 . LEU 88 88 5599 1 . ARG 89 89 5599 1 . SER 90 90 5599 1 . TRP 91 91 5599 1 . ASN 92 92 5599 1 . GLU 93 93 5599 1 . PRO 94 94 5599 1 . LEU 95 95 5599 1 . TYR 96 96 5599 1 . HIS 97 97 5599 1 . LEU 98 98 5599 1 . VAL 99 99 5599 1 . THR 100 100 5599 1 . GLU 101 101 5599 1 . VAL 102 102 5599 1 . ARG 103 103 5599 1 . GLY 104 104 5599 1 . MET 105 105 5599 1 . GLN 106 106 5599 1 . GLU 107 107 5599 1 . ALA 108 108 5599 1 . PRO 109 109 5599 1 . GLU 110 110 5599 1 . ALA 111 111 5599 1 . ILE 112 112 5599 1 . LEU 113 113 5599 1 . SER 114 114 5599 1 . LYS 115 115 5599 1 . ALA 116 116 5599 1 . VAL 117 117 5599 1 . GLU 118 118 5599 1 . ILE 119 119 5599 1 . GLU 120 120 5599 1 . GLU 121 121 5599 1 . GLN 122 122 5599 1 . THR 123 123 5599 1 . LYS 124 124 5599 1 . ARG 125 125 5599 1 . LEU 126 126 5599 1 . LEU 127 127 5599 1 . GLU 128 128 5599 1 . GLY 129 129 5599 1 . MET 130 130 5599 1 . GLU 131 131 5599 1 . LEU 132 132 5599 1 . ILE 133 133 5599 1 . VAL 134 134 5599 1 . SER 135 135 5599 1 . GLN 136 136 5599 1 . VAL 137 137 5599 1 . HIS 138 138 5599 1 . PRO 139 139 5599 1 . GLU 140 140 5599 1 . THR 141 141 5599 1 . LYS 142 142 5599 1 . GLU 143 143 5599 1 . ASN 144 144 5599 1 . GLU 145 145 5599 1 . ILE 146 146 5599 1 . TYR 147 147 5599 1 . PRO 148 148 5599 1 . VAL 149 149 5599 1 . TRP 150 150 5599 1 . SER 151 151 5599 1 . GLY 152 152 5599 1 . LEU 153 153 5599 1 . PRO 154 154 5599 1 . SER 155 155 5599 1 . LEU 156 156 5599 1 . GLN 157 157 5599 1 . MET 158 158 5599 1 . ALA 159 159 5599 1 . ASP 160 160 5599 1 . GLU 161 161 5599 1 . GLU 162 162 5599 1 . SER 163 163 5599 1 . ARG 164 164 5599 1 . LEU 165 165 5599 1 . SER 166 166 5599 1 . ALA 167 167 5599 1 . TYR 168 168 5599 1 . TYR 169 169 5599 1 . ASN 170 170 5599 1 . LEU 171 171 5599 1 . LEU 172 172 5599 1 . HIS 173 173 5599 1 . CYS 174 174 5599 1 . LEU 175 175 5599 1 . ARG 176 176 5599 1 . ARG 177 177 5599 1 . ASP 178 178 5599 1 . SER 179 179 5599 1 . HIS 180 180 5599 1 . LYS 181 181 5599 1 . ILE 182 182 5599 1 . ASP 183 183 5599 1 . ASN 184 184 5599 1 . TYR 185 185 5599 1 . LEU 186 186 5599 1 . LYS 187 187 5599 1 . LEU 188 188 5599 1 . LEU 189 189 5599 1 . LYS 190 190 5599 1 . CYS 191 191 5599 1 . ARG 192 192 5599 1 . ILE 193 193 5599 1 . ILE 194 194 5599 1 . HIS 195 195 5599 1 . ASN 196 196 5599 1 . ASN 197 197 5599 1 . ASN 198 198 5599 1 . CYS 199 199 5599 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 5599 _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 $hPrl . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5599 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 5599 _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 $hPrl . 'recombinant technology' 'Escherichia coli' 'E. Coli' . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . plasmid . . pT7L-hPrl . . . . . . 5599 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5599 _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 'Human Prolactin' '[U-13C; U-15N]' . . 1 $hPrl . . 1.0 . . mM . . . . 5599 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 5599 1 3 NaCl . . . . . . . 100 . . mM . . . . 5599 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 5599 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.2 n/a 5599 1 temperature 298 1 K 5599 1 'ionic strength' 0.2 0.02 M 5599 1 stop_ save_ ############################ # Computer software used # ############################ save_nmrView _Software.Sf_category software _Software.Sf_framecode nmrView _Software.Entry_ID 5599 _Software.ID 1 _Software.Name nmrView _Software.Version 5.0.4 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID '4D data analysis' 5599 1 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 5 $reference_4 5599 1 stop_ save_ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 5599 _Software.ID 2 _Software.Name Sparky _Software.Version 3.106 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID '3D data analysis' 5599 2 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 4 $reference_3 5599 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5599 _Software.ID 3 _Software.Name CYANA _Software.Version 1.0.5 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5599 3 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 6 $reference_5 5599 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5599 _Software.ID 4 _Software.Name NMRPipe _Software.Version 1.0 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'processing varian format data' 5599 4 stop_ loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $reference_1 5599 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5599 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5599 _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 Varian INOVA . 600 . . . 5599 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 5599 _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 HNCO . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 2 HNCA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 3 HNCACA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 4 HN(CO)CA . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 5 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 6 H(CA)CO(CA)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 7 C(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 8 H(CCO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 9 HCCH-TOCSY . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 10 '(4D) 13C 15N HMQC-NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 11 '(3D) 15N HSQC-NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 1 12 '(3D) 13C NOESY-HSQC' . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5599 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 5599 _NMR_spec_expt.ID 1 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 2 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCACA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 4 _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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name H(CA)CO(CA)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name C(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name H(CCO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '(4D) 13C 15N HMQC-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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 5599 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name '(3D) 15N HSQC-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 5599 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name '(3D) 13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _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 5599 _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 . . . . ppm 0.00 external direct 1 external_to_the_sample cylindrical parallel_to_Bo . . temperature 0.052 . . 5599 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 5599 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5599 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO CA C 13 63.383 0.075 . 1 . . . . . . . . 5599 1 2 . 1 1 2 2 PRO HA H 1 4.524 0.0090 . 1 . . . . . . . . 5599 1 3 . 1 1 2 2 PRO C C 13 176.431 0.0 . 1 . . . . . . . . 5599 1 4 . 1 1 2 2 PRO CB C 13 32.497 0.045 . 1 . . . . . . . . 5599 1 5 . 1 1 2 2 PRO HB2 H 1 2.31 0.0060 . 1 . . . . . . . . 5599 1 6 . 1 1 2 2 PRO HB3 H 1 1.96 0.0060 . 1 . . . . . . . . 5599 1 7 . 1 1 2 2 PRO CG C 13 28.019 0.02 . 1 . . . . . . . . 5599 1 8 . 1 1 2 2 PRO HG2 H 1 2.08 0.0030 . 1 . . . . . . . . 5599 1 9 . 1 1 2 2 PRO CD C 13 51.109 0.019 . 1 . . . . . . . . 5599 1 10 . 1 1 2 2 PRO HD2 H 1 3.892 0.011 . 1 . . . . . . . . 5599 1 11 . 1 1 2 2 PRO HD3 H 1 3.698 0.0050 . 1 . . . . . . . . 5599 1 12 . 1 1 3 3 ILE H H 1 8.153 0.0040 . 1 . . . . . . . . 5599 1 13 . 1 1 3 3 ILE N N 15 121.425 0.253 . 1 . . . . . . . . 5599 1 14 . 1 1 3 3 ILE CA C 13 62.191 0.091 . 1 . . . . . . . . 5599 1 15 . 1 1 3 3 ILE HA H 1 4.13 0.0060 . 1 . . . . . . . . 5599 1 16 . 1 1 3 3 ILE C C 13 176.045 0.039 . 1 . . . . . . . . 5599 1 17 . 1 1 3 3 ILE CB C 13 39.259 0.068 . 1 . . . . . . . . 5599 1 18 . 1 1 3 3 ILE HB H 1 1.871 0.012 . 1 . . . . . . . . 5599 1 19 . 1 1 3 3 ILE CG2 C 13 20.729 4.205 . 1 . . . . . . . . 5599 1 20 . 1 1 3 3 ILE CG1 C 13 28.07 0.055 . 1 . . . . . . . . 5599 1 21 . 1 1 3 3 ILE HG12 H 1 1.226 0.0060 . 1 . . . . . . . . 5599 1 22 . 1 1 3 3 ILE HG13 H 1 0.949 0.0020 . 1 . . . . . . . . 5599 1 23 . 1 1 3 3 ILE CD1 C 13 13.599 0.01 . 1 . . . . . . . . 5599 1 24 . 1 1 3 3 ILE HD11 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 25 . 1 1 3 3 ILE HD12 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 26 . 1 1 3 3 ILE HD13 H 1 0.894 0.0050 . 1 . . . . . . . . 5599 1 27 . 1 1 4 4 CYS H H 1 8.354 0.0080 . 1 . . . . . . . . 5599 1 28 . 1 1 4 4 CYS N N 15 122.716 0.06 . 1 . . . . . . . . 5599 1 29 . 1 1 4 4 CYS CA C 13 53.58 0.023 . 1 . . . . . . . . 5599 1 30 . 1 1 4 4 CYS HA H 1 5.072 0.01 . 1 . . . . . . . . 5599 1 31 . 1 1 4 4 CYS C C 13 172.856 0.0 . 1 . . . . . . . . 5599 1 32 . 1 1 4 4 CYS CB C 13 41.401 0.0010 . 1 . . . . . . . . 5599 1 33 . 1 1 4 4 CYS HB2 H 1 3.053 0.0090 . 1 . . . . . . . . 5599 1 34 . 1 1 4 4 CYS HB3 H 1 3.163 0.0090 . 1 . . . . . . . . 5599 1 35 . 1 1 5 5 PRO C C 13 175.329 0.0 . 1 . . . . . . . . 5599 1 36 . 1 1 6 6 GLY H H 1 8.055 0.0 . 1 . . . . . . . . 5599 1 37 . 1 1 6 6 GLY N N 15 108.957 0.013 . 1 . . . . . . . . 5599 1 38 . 1 1 6 6 GLY CA C 13 46.123 0.149 . 1 . . . . . . . . 5599 1 39 . 1 1 6 6 GLY HA2 H 1 4.028 0.0080 . 1 . . . . . . . . 5599 1 40 . 1 1 6 6 GLY C C 13 175.083 0.0 . 1 . . . . . . . . 5599 1 41 . 1 1 7 7 GLY H H 1 8.173 0.0010 . 1 . . . . . . . . 5599 1 42 . 1 1 7 7 GLY N N 15 109.772 0.0080 . 1 . . . . . . . . 5599 1 43 . 1 1 7 7 GLY CA C 13 45.892 0.075 . 1 . . . . . . . . 5599 1 44 . 1 1 7 7 GLY HA2 H 1 3.857 0.0050 . 1 . . . . . . . . 5599 1 45 . 1 1 7 7 GLY HA3 H 1 4.185 0.0090 . 1 . . . . . . . . 5599 1 46 . 1 1 7 7 GLY C C 13 174.222 0.0 . 1 . . . . . . . . 5599 1 47 . 1 1 8 8 ALA H H 1 7.701 0.0050 . 1 . . . . . . . . 5599 1 48 . 1 1 8 8 ALA N N 15 123.839 0.03 . 1 . . . . . . . . 5599 1 49 . 1 1 8 8 ALA CA C 13 53.7 0.065 . 1 . . . . . . . . 5599 1 50 . 1 1 8 8 ALA HA H 1 4.267 0.0040 . 1 . . . . . . . . 5599 1 51 . 1 1 8 8 ALA C C 13 177.866 0.0 . 1 . . . . . . . . 5599 1 52 . 1 1 8 8 ALA CB C 13 19.769 0.061 . 1 . . . . . . . . 5599 1 53 . 1 1 8 8 ALA HB1 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 54 . 1 1 8 8 ALA HB2 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 55 . 1 1 8 8 ALA HB3 H 1 1.49 0.0040 . 1 . . . . . . . . 5599 1 56 . 1 1 9 9 ALA H H 1 8.296 0.011 . 1 . . . . . . . . 5599 1 57 . 1 1 9 9 ALA N N 15 122.683 0.126 . 1 . . . . . . . . 5599 1 58 . 1 1 9 9 ALA CA C 13 54.373 0.074 . 1 . . . . . . . . 5599 1 59 . 1 1 9 9 ALA HA H 1 4.248 0.0070 . 1 . . . . . . . . 5599 1 60 . 1 1 9 9 ALA C C 13 178.503 0.0 . 1 . . . . . . . . 5599 1 61 . 1 1 9 9 ALA CB C 13 19.573 0.15 . 1 . . . . . . . . 5599 1 62 . 1 1 9 9 ALA HB1 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 63 . 1 1 9 9 ALA HB2 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 64 . 1 1 9 9 ALA HB3 H 1 1.484 0.0070 . 1 . . . . . . . . 5599 1 65 . 1 1 10 10 ARG H H 1 7.867 0.0020 . 1 . . . . . . . . 5599 1 66 . 1 1 10 10 ARG N N 15 116.776 0.023 . 1 . . . . . . . . 5599 1 67 . 1 1 10 10 ARG CA C 13 56.277 0.046 . 1 . . . . . . . . 5599 1 68 . 1 1 10 10 ARG HA H 1 4.46 0.018 . 1 . . . . . . . . 5599 1 69 . 1 1 10 10 ARG C C 13 175.798 0.0010 . 1 . . . . . . . . 5599 1 70 . 1 1 10 10 ARG CB C 13 31.379 0.103 . 1 . . . . . . . . 5599 1 71 . 1 1 10 10 ARG HB2 H 1 1.933 0.0080 . 1 . . . . . . . . 5599 1 72 . 1 1 10 10 ARG HB3 H 1 1.821 0.0030 . 1 . . . . . . . . 5599 1 73 . 1 1 10 10 ARG CG C 13 27.615 0.027 . 1 . . . . . . . . 5599 1 74 . 1 1 10 10 ARG HG2 H 1 1.645 0.0090 . 1 . . . . . . . . 5599 1 75 . 1 1 10 10 ARG CD C 13 43.926 0.054 . 1 . . . . . . . . 5599 1 76 . 1 1 10 10 ARG HD2 H 1 3.252 0.01 . 1 . . . . . . . . 5599 1 77 . 1 1 11 11 CYS H H 1 8.069 0.0040 . 1 . . . . . . . . 5599 1 78 . 1 1 11 11 CYS N N 15 118.635 0.068 . 1 . . . . . . . . 5599 1 79 . 1 1 11 11 CYS CA C 13 56.457 0.013 . 1 . . . . . . . . 5599 1 80 . 1 1 11 11 CYS C C 13 174.049 0.0 . 1 . . . . . . . . 5599 1 81 . 1 1 11 11 CYS CB C 13 41.239 0.0 . 1 . . . . . . . . 5599 1 82 . 1 1 12 12 GLN CA C 13 56.962 0.06 . 1 . . . . . . . . 5599 1 83 . 1 1 12 12 GLN HA H 1 4.427 0.012 . 1 . . . . . . . . 5599 1 84 . 1 1 12 12 GLN C C 13 175.603 0.022 . 1 . . . . . . . . 5599 1 85 . 1 1 12 12 GLN CB C 13 29.841 0.07 . 1 . . . . . . . . 5599 1 86 . 1 1 12 12 GLN HB2 H 1 2.139 0.025 . 1 . . . . . . . . 5599 1 87 . 1 1 12 12 GLN CG C 13 34.3 0.0 . 1 . . . . . . . . 5599 1 88 . 1 1 12 12 GLN HG2 H 1 2.417 0.0020 . 1 . . . . . . . . 5599 1 89 . 1 1 13 13 VAL H H 1 7.942 0.0040 . 1 . . . . . . . . 5599 1 90 . 1 1 13 13 VAL N N 15 122.278 0.097 . 1 . . . . . . . . 5599 1 91 . 1 1 13 13 VAL CA C 13 62.637 0.052 . 1 . . . . . . . . 5599 1 92 . 1 1 13 13 VAL HA H 1 4.36 0.0080 . 1 . . . . . . . . 5599 1 93 . 1 1 13 13 VAL C C 13 176.051 0.0 . 1 . . . . . . . . 5599 1 94 . 1 1 13 13 VAL CB C 13 33.829 0.069 . 1 . . . . . . . . 5599 1 95 . 1 1 13 13 VAL HB H 1 2.122 0.0020 . 1 . . . . . . . . 5599 1 96 . 1 1 13 13 VAL CG1 C 13 21.702 0.099 . 1 . . . . . . . . 5599 1 97 . 1 1 13 13 VAL HG11 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 98 . 1 1 13 13 VAL HG12 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 99 . 1 1 13 13 VAL HG13 H 1 1.016 0.0040 . 1 . . . . . . . . 5599 1 100 . 1 1 14 14 THR H H 1 8.502 0.0020 . 1 . . . . . . . . 5599 1 101 . 1 1 14 14 THR N N 15 117.474 0.042 . 1 . . . . . . . . 5599 1 102 . 1 1 14 14 THR CA C 13 62.18 0.14 . 1 . . . . . . . . 5599 1 103 . 1 1 14 14 THR HA H 1 4.571 0.015 . 1 . . . . . . . . 5599 1 104 . 1 1 14 14 THR C C 13 175.542 0.0 . 1 . . . . . . . . 5599 1 105 . 1 1 14 14 THR CB C 13 71.749 0.0 . 1 . . . . . . . . 5599 1 106 . 1 1 14 14 THR HB H 1 4.615 0.0 . 1 . . . . . . . . 5599 1 107 . 1 1 14 14 THR CG2 C 13 22.43 0.0 . 1 . . . . . . . . 5599 1 108 . 1 1 14 14 THR HG21 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 109 . 1 1 14 14 THR HG22 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 110 . 1 1 14 14 THR HG23 H 1 1.372 0.0050 . 1 . . . . . . . . 5599 1 111 . 1 1 15 15 LEU H H 1 8.57 0.0060 . 1 . . . . . . . . 5599 1 112 . 1 1 15 15 LEU N N 15 123.251 0.031 . 1 . . . . . . . . 5599 1 113 . 1 1 15 15 LEU CA C 13 58.814 0.102 . 1 . . . . . . . . 5599 1 114 . 1 1 15 15 LEU HA H 1 4.113 0.0090 . 1 . . . . . . . . 5599 1 115 . 1 1 15 15 LEU C C 13 178.876 0.0 . 1 . . . . . . . . 5599 1 116 . 1 1 15 15 LEU CB C 13 42.265 0.105 . 1 . . . . . . . . 5599 1 117 . 1 1 15 15 LEU HB2 H 1 1.811 0.012 . 1 . . . . . . . . 5599 1 118 . 1 1 15 15 LEU CD1 C 13 25.861 0.293 . 1 . . . . . . . . 5599 1 119 . 1 1 15 15 LEU HD11 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 120 . 1 1 15 15 LEU HD12 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 121 . 1 1 15 15 LEU HD13 H 1 1.016 0.018 . 1 . . . . . . . . 5599 1 122 . 1 1 16 16 ARG H H 1 8.315 0.0040 . 1 . . . . . . . . 5599 1 123 . 1 1 16 16 ARG N N 15 119.124 0.032 . 1 . . . . . . . . 5599 1 124 . 1 1 16 16 ARG CA C 13 60.733 0.085 . 1 . . . . . . . . 5599 1 125 . 1 1 16 16 ARG HA H 1 3.957 0.017 . 1 . . . . . . . . 5599 1 126 . 1 1 16 16 ARG C C 13 177.788 0.0 . 1 . . . . . . . . 5599 1 127 . 1 1 16 16 ARG CB C 13 30.304 0.09 . 1 . . . . . . . . 5599 1 128 . 1 1 16 16 ARG HB2 H 1 1.931 0.01 . 1 . . . . . . . . 5599 1 129 . 1 1 16 16 ARG CG C 13 27.308 0.0 . 1 . . . . . . . . 5599 1 130 . 1 1 16 16 ARG HG2 H 1 1.699 0.011 . 1 . . . . . . . . 5599 1 131 . 1 1 16 16 ARG CD C 13 43.854 0.118 . 1 . . . . . . . . 5599 1 132 . 1 1 16 16 ARG HD2 H 1 3.244 0.0060 . 1 . . . . . . . . 5599 1 133 . 1 1 17 17 ASP H H 1 7.598 0.015 . 1 . . . . . . . . 5599 1 134 . 1 1 17 17 ASP N N 15 120.099 0.065 . 1 . . . . . . . . 5599 1 135 . 1 1 17 17 ASP CA C 13 58.188 0.072 . 1 . . . . . . . . 5599 1 136 . 1 1 17 17 ASP HA H 1 4.492 0.0080 . 1 . . . . . . . . 5599 1 137 . 1 1 17 17 ASP C C 13 179.234 0.0 . 1 . . . . . . . . 5599 1 138 . 1 1 17 17 ASP CB C 13 41.33 0.202 . 1 . . . . . . . . 5599 1 139 . 1 1 17 17 ASP HB2 H 1 2.994 0.0070 . 1 . . . . . . . . 5599 1 140 . 1 1 17 17 ASP HB3 H 1 2.728 0.0060 . 1 . . . . . . . . 5599 1 141 . 1 1 18 18 LEU H H 1 8.116 0.0060 . 1 . . . . . . . . 5599 1 142 . 1 1 18 18 LEU N N 15 120.485 0.073 . 1 . . . . . . . . 5599 1 143 . 1 1 18 18 LEU CA C 13 58.651 0.098 . 1 . . . . . . . . 5599 1 144 . 1 1 18 18 LEU HA H 1 3.963 0.0 . 1 . . . . . . . . 5599 1 145 . 1 1 18 18 LEU C C 13 180.331 0.0 . 1 . . . . . . . . 5599 1 146 . 1 1 18 18 LEU CB C 13 42.391 0.147 . 1 . . . . . . . . 5599 1 147 . 1 1 18 18 LEU HB2 H 1 1.951 0.0 . 1 . . . . . . . . 5599 1 148 . 1 1 18 18 LEU CD1 C 13 24.041 0.129 . 1 . . . . . . . . 5599 1 149 . 1 1 18 18 LEU HD11 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 150 . 1 1 18 18 LEU HD12 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 151 . 1 1 18 18 LEU HD13 H 1 0.809 0.018 . 1 . . . . . . . . 5599 1 152 . 1 1 19 19 PHE H H 1 8.534 0.0040 . 1 . . . . . . . . 5599 1 153 . 1 1 19 19 PHE N N 15 120.208 0.041 . 1 . . . . . . . . 5599 1 154 . 1 1 19 19 PHE CA C 13 63.859 0.087 . 1 . . . . . . . . 5599 1 155 . 1 1 19 19 PHE HA H 1 4.125 0.0090 . 1 . . . . . . . . 5599 1 156 . 1 1 19 19 PHE C C 13 177.943 0.0 . 1 . . . . . . . . 5599 1 157 . 1 1 19 19 PHE CB C 13 39.916 0.038 . 1 . . . . . . . . 5599 1 158 . 1 1 19 19 PHE HB2 H 1 2.934 0.012 . 1 . . . . . . . . 5599 1 159 . 1 1 19 19 PHE HB3 H 1 3.14 0.017 . 1 . . . . . . . . 5599 1 160 . 1 1 20 20 ASP H H 1 8.436 0.0040 . 1 . . . . . . . . 5599 1 161 . 1 1 20 20 ASP N N 15 120.96 0.053 . 1 . . . . . . . . 5599 1 162 . 1 1 20 20 ASP CA C 13 58.352 0.087 . 1 . . . . . . . . 5599 1 163 . 1 1 20 20 ASP HA H 1 4.54 0.0050 . 1 . . . . . . . . 5599 1 164 . 1 1 20 20 ASP C C 13 179.184 0.0 . 1 . . . . . . . . 5599 1 165 . 1 1 20 20 ASP CB C 13 40.751 0.139 . 1 . . . . . . . . 5599 1 166 . 1 1 20 20 ASP HB2 H 1 2.75 0.0060 . 1 . . . . . . . . 5599 1 167 . 1 1 20 20 ASP HB3 H 1 2.974 0.0030 . 1 . . . . . . . . 5599 1 168 . 1 1 21 21 ARG H H 1 7.822 0.0040 . 1 . . . . . . . . 5599 1 169 . 1 1 21 21 ARG N N 15 119.095 0.064 . 1 . . . . . . . . 5599 1 170 . 1 1 21 21 ARG CA C 13 59.261 0.077 . 1 . . . . . . . . 5599 1 171 . 1 1 21 21 ARG HA H 1 4.105 0.014 . 1 . . . . . . . . 5599 1 172 . 1 1 21 21 ARG C C 13 178.627 0.021 . 1 . . . . . . . . 5599 1 173 . 1 1 21 21 ARG CB C 13 30.871 0.077 . 1 . . . . . . . . 5599 1 174 . 1 1 21 21 ARG HB2 H 1 1.97 0.0060 . 1 . . . . . . . . 5599 1 175 . 1 1 21 21 ARG CG C 13 27.944 0.041 . 1 . . . . . . . . 5599 1 176 . 1 1 21 21 ARG HG2 H 1 1.766 0.01 . 1 . . . . . . . . 5599 1 177 . 1 1 21 21 ARG CD C 13 44.512 0.0 . 1 . . . . . . . . 5599 1 178 . 1 1 21 21 ARG HD2 H 1 3.173 0.0070 . 1 . . . . . . . . 5599 1 179 . 1 1 22 22 ALA H H 1 8.036 0.0080 . 1 . . . . . . . . 5599 1 180 . 1 1 22 22 ALA N N 15 123.182 0.033 . 1 . . . . . . . . 5599 1 181 . 1 1 22 22 ALA CA C 13 56.067 0.103 . 1 . . . . . . . . 5599 1 182 . 1 1 22 22 ALA HA H 1 4.064 0.0070 . 1 . . . . . . . . 5599 1 183 . 1 1 22 22 ALA C C 13 178.802 0.0 . 1 . . . . . . . . 5599 1 184 . 1 1 22 22 ALA CB C 13 18.728 0.159 . 1 . . . . . . . . 5599 1 185 . 1 1 22 22 ALA HB1 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 186 . 1 1 22 22 ALA HB2 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 187 . 1 1 22 22 ALA HB3 H 1 1.445 0.0010 . 1 . . . . . . . . 5599 1 188 . 1 1 23 23 VAL H H 1 8.064 0.0070 . 1 . . . . . . . . 5599 1 189 . 1 1 23 23 VAL N N 15 115.493 0.093 . 1 . . . . . . . . 5599 1 190 . 1 1 23 23 VAL CA C 13 65.17 0.091 . 1 . . . . . . . . 5599 1 191 . 1 1 23 23 VAL HA H 1 4.507 0.012 . 1 . . . . . . . . 5599 1 192 . 1 1 23 23 VAL C C 13 179.225 0.0 . 1 . . . . . . . . 5599 1 193 . 1 1 23 23 VAL CB C 13 32.136 0.137 . 1 . . . . . . . . 5599 1 194 . 1 1 23 23 VAL HB H 1 2.378 0.0020 . 1 . . . . . . . . 5599 1 195 . 1 1 23 23 VAL CG1 C 13 22.547 0.147 . 1 . . . . . . . . 5599 1 196 . 1 1 23 23 VAL HG11 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 197 . 1 1 23 23 VAL HG12 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 198 . 1 1 23 23 VAL HG13 H 1 1.206 0.0030 . 1 . . . . . . . . 5599 1 199 . 1 1 23 23 VAL CG2 C 13 22.947 0.135 . 1 . . . . . . . . 5599 1 200 . 1 1 23 23 VAL HG21 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 201 . 1 1 23 23 VAL HG22 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 202 . 1 1 23 23 VAL HG23 H 1 1.094 0.0020 . 1 . . . . . . . . 5599 1 203 . 1 1 24 24 VAL H H 1 7.432 0.0050 . 1 . . . . . . . . 5599 1 204 . 1 1 24 24 VAL N N 15 122.998 0.023 . 1 . . . . . . . . 5599 1 205 . 1 1 24 24 VAL CA C 13 67.309 0.134 . 1 . . . . . . . . 5599 1 206 . 1 1 24 24 VAL HA H 1 3.851 0.0070 . 1 . . . . . . . . 5599 1 207 . 1 1 24 24 VAL C C 13 179.398 0.0 . 1 . . . . . . . . 5599 1 208 . 1 1 24 24 VAL CB C 13 32.288 0.088 . 1 . . . . . . . . 5599 1 209 . 1 1 24 24 VAL HB H 1 2.252 0.0060 . 1 . . . . . . . . 5599 1 210 . 1 1 24 24 VAL CG1 C 13 22.245 0.02 . 1 . . . . . . . . 5599 1 211 . 1 1 24 24 VAL HG11 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 212 . 1 1 24 24 VAL HG12 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 213 . 1 1 24 24 VAL HG13 H 1 1.002 0.011 . 1 . . . . . . . . 5599 1 214 . 1 1 24 24 VAL CG2 C 13 23.876 0.06 . 1 . . . . . . . . 5599 1 215 . 1 1 24 24 VAL HG21 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 216 . 1 1 24 24 VAL HG22 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 217 . 1 1 24 24 VAL HG23 H 1 1.153 0.0070 . 1 . . . . . . . . 5599 1 218 . 1 1 25 25 LEU H H 1 7.819 0.013 . 1 . . . . . . . . 5599 1 219 . 1 1 25 25 LEU N N 15 121.376 0.084 . 1 . . . . . . . . 5599 1 220 . 1 1 25 25 LEU CA C 13 58.679 0.049 . 1 . . . . . . . . 5599 1 221 . 1 1 25 25 LEU HA H 1 4.331 0.014 . 1 . . . . . . . . 5599 1 222 . 1 1 25 25 LEU C C 13 179.013 0.0 . 1 . . . . . . . . 5599 1 223 . 1 1 25 25 LEU CB C 13 43.634 0.082 . 1 . . . . . . . . 5599 1 224 . 1 1 25 25 LEU HB2 H 1 2.099 0.021 . 1 . . . . . . . . 5599 1 225 . 1 1 25 25 LEU CG C 13 24.737 0.0 . 1 . . . . . . . . 5599 1 226 . 1 1 25 25 LEU CD1 C 13 25.121 0.0 . 1 . . . . . . . . 5599 1 227 . 1 1 25 25 LEU HD11 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 228 . 1 1 25 25 LEU HD12 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 229 . 1 1 25 25 LEU HD13 H 1 1.029 0.013 . 1 . . . . . . . . 5599 1 230 . 1 1 25 25 LEU HG H 1 1.572 0.0 . 1 . . . . . . . . 5599 1 231 . 1 1 26 26 SER H H 1 9.325 0.0050 . 1 . . . . . . . . 5599 1 232 . 1 1 26 26 SER N N 15 117.16 0.018 . 1 . . . . . . . . 5599 1 233 . 1 1 26 26 SER CA C 13 63.21 0.0040 . 1 . . . . . . . . 5599 1 234 . 1 1 26 26 SER C C 13 178.197 0.0 . 1 . . . . . . . . 5599 1 235 . 1 1 27 27 HIS H H 1 8.031 0.0050 . 1 . . . . . . . . 5599 1 236 . 1 1 27 27 HIS N N 15 126.443 0.02 . 1 . . . . . . . . 5599 1 237 . 1 1 27 27 HIS CA C 13 60.383 0.069 . 1 . . . . . . . . 5599 1 238 . 1 1 27 27 HIS HA H 1 4.389 0.016 . 1 . . . . . . . . 5599 1 239 . 1 1 27 27 HIS C C 13 177.279 0.0 . 1 . . . . . . . . 5599 1 240 . 1 1 27 27 HIS CB C 13 30.312 0.046 . 1 . . . . . . . . 5599 1 241 . 1 1 27 27 HIS HB2 H 1 3.664 0.02 . 1 . . . . . . . . 5599 1 242 . 1 1 27 27 HIS HB3 H 1 3.423 0.0060 . 1 . . . . . . . . 5599 1 243 . 1 1 28 28 TYR H H 1 7.898 0.0060 . 1 . . . . . . . . 5599 1 244 . 1 1 28 28 TYR N N 15 122.007 0.012 . 1 . . . . . . . . 5599 1 245 . 1 1 28 28 TYR CA C 13 60.821 0.112 . 1 . . . . . . . . 5599 1 246 . 1 1 28 28 TYR HA H 1 4.462 0.014 . 1 . . . . . . . . 5599 1 247 . 1 1 28 28 TYR C C 13 177.955 0.0 . 1 . . . . . . . . 5599 1 248 . 1 1 28 28 TYR CB C 13 39.143 0.043 . 1 . . . . . . . . 5599 1 249 . 1 1 28 28 TYR HB2 H 1 3.453 0.0030 . 1 . . . . . . . . 5599 1 250 . 1 1 28 28 TYR HB3 H 1 3.367 0.017 . 1 . . . . . . . . 5599 1 251 . 1 1 29 29 ILE H H 1 8.846 0.0050 . 1 . . . . . . . . 5599 1 252 . 1 1 29 29 ILE N N 15 119.921 0.048 . 1 . . . . . . . . 5599 1 253 . 1 1 29 29 ILE CA C 13 66.773 0.052 . 1 . . . . . . . . 5599 1 254 . 1 1 29 29 ILE HA H 1 3.366 0.0090 . 1 . . . . . . . . 5599 1 255 . 1 1 29 29 ILE C C 13 178.391 0.0 . 1 . . . . . . . . 5599 1 256 . 1 1 29 29 ILE CB C 13 39.029 0.08 . 1 . . . . . . . . 5599 1 257 . 1 1 29 29 ILE HB H 1 1.809 0.0080 . 1 . . . . . . . . 5599 1 258 . 1 1 29 29 ILE CG2 C 13 17.59 0.01 . 1 . . . . . . . . 5599 1 259 . 1 1 29 29 ILE HG13 H 1 0.796 0.0040 . 1 . . . . . . . . 5599 1 260 . 1 1 30 30 HIS H H 1 8.199 0.014 . 1 . . . . . . . . 5599 1 261 . 1 1 30 30 HIS N N 15 121.412 0.019 . 1 . . . . . . . . 5599 1 262 . 1 1 30 30 HIS CA C 13 59.437 0.111 . 1 . . . . . . . . 5599 1 263 . 1 1 30 30 HIS HA H 1 4.525 0.0040 . 1 . . . . . . . . 5599 1 264 . 1 1 30 30 HIS C C 13 177.83 0.0 . 1 . . . . . . . . 5599 1 265 . 1 1 30 30 HIS CB C 13 29.082 0.077 . 1 . . . . . . . . 5599 1 266 . 1 1 30 30 HIS HB2 H 1 3.0 0.025 . 1 . . . . . . . . 5599 1 267 . 1 1 30 30 HIS HB3 H 1 3.257 0.013 . 1 . . . . . . . . 5599 1 268 . 1 1 31 31 ASN H H 1 8.123 0.0040 . 1 . . . . . . . . 5599 1 269 . 1 1 31 31 ASN N N 15 121.928 0.026 . 1 . . . . . . . . 5599 1 270 . 1 1 31 31 ASN CA C 13 57.536 0.032 . 1 . . . . . . . . 5599 1 271 . 1 1 31 31 ASN HA H 1 4.13 0.0070 . 1 . . . . . . . . 5599 1 272 . 1 1 31 31 ASN C C 13 177.558 0.0 . 1 . . . . . . . . 5599 1 273 . 1 1 31 31 ASN CB C 13 38.471 0.098 . 1 . . . . . . . . 5599 1 274 . 1 1 31 31 ASN HB2 H 1 2.764 0.0070 . 1 . . . . . . . . 5599 1 275 . 1 1 32 32 LEU H H 1 8.488 0.01 . 1 . . . . . . . . 5599 1 276 . 1 1 32 32 LEU N N 15 121.422 0.038 . 1 . . . . . . . . 5599 1 277 . 1 1 32 32 LEU CA C 13 58.688 0.12 . 1 . . . . . . . . 5599 1 278 . 1 1 32 32 LEU HA H 1 3.961 0.012 . 1 . . . . . . . . 5599 1 279 . 1 1 32 32 LEU C C 13 179.547 0.0 . 1 . . . . . . . . 5599 1 280 . 1 1 32 32 LEU CB C 13 43.779 0.107 . 1 . . . . . . . . 5599 1 281 . 1 1 32 32 LEU HB2 H 1 1.695 0.0040 . 1 . . . . . . . . 5599 1 282 . 1 1 32 32 LEU HB3 H 1 1.152 0.0050 . 1 . . . . . . . . 5599 1 283 . 1 1 32 32 LEU CG C 13 27.4 0.0 . 1 . . . . . . . . 5599 1 284 . 1 1 32 32 LEU CD1 C 13 23.933 0.024 . 1 . . . . . . . . 5599 1 285 . 1 1 32 32 LEU HD11 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 286 . 1 1 32 32 LEU HD12 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 287 . 1 1 32 32 LEU HD13 H 1 0.45 0.0020 . 1 . . . . . . . . 5599 1 288 . 1 1 32 32 LEU CD2 C 13 25.991 0.103 . 1 . . . . . . . . 5599 1 289 . 1 1 32 32 LEU HD21 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 290 . 1 1 32 32 LEU HD22 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 291 . 1 1 32 32 LEU HD23 H 1 0.787 0.0020 . 1 . . . . . . . . 5599 1 292 . 1 1 32 32 LEU HG H 1 1.369 0.0070 . 1 . . . . . . . . 5599 1 293 . 1 1 33 33 SER H H 1 8.552 0.0030 . 1 . . . . . . . . 5599 1 294 . 1 1 33 33 SER N N 15 117.083 0.019 . 1 . . . . . . . . 5599 1 295 . 1 1 33 33 SER CA C 13 63.128 0.053 . 1 . . . . . . . . 5599 1 296 . 1 1 33 33 SER C C 13 177.657 0.0 . 1 . . . . . . . . 5599 1 297 . 1 1 34 34 SER H H 1 8.058 0.0030 . 1 . . . . . . . . 5599 1 298 . 1 1 34 34 SER N N 15 121.92 0.066 . 1 . . . . . . . . 5599 1 299 . 1 1 34 34 SER CA C 13 62.915 0.068 . 1 . . . . . . . . 5599 1 300 . 1 1 34 34 SER C C 13 176.844 0.0 . 1 . . . . . . . . 5599 1 301 . 1 1 35 35 GLU H H 1 8.278 0.0050 . 1 . . . . . . . . 5599 1 302 . 1 1 35 35 GLU N N 15 124.095 0.032 . 1 . . . . . . . . 5599 1 303 . 1 1 35 35 GLU CA C 13 59.911 0.112 . 1 . . . . . . . . 5599 1 304 . 1 1 35 35 GLU HA H 1 4.176 0.0070 . 1 . . . . . . . . 5599 1 305 . 1 1 35 35 GLU C C 13 179.098 0.0 . 1 . . . . . . . . 5599 1 306 . 1 1 35 35 GLU CB C 13 30.367 0.122 . 1 . . . . . . . . 5599 1 307 . 1 1 35 35 GLU HB2 H 1 2.266 0.0090 . 1 . . . . . . . . 5599 1 308 . 1 1 35 35 GLU CG C 13 36.853 0.112 . 1 . . . . . . . . 5599 1 309 . 1 1 35 35 GLU HG2 H 1 2.517 0.0050 . 1 . . . . . . . . 5599 1 310 . 1 1 36 36 MET H H 1 8.826 0.0040 . 1 . . . . . . . . 5599 1 311 . 1 1 36 36 MET N N 15 120.392 0.043 . 1 . . . . . . . . 5599 1 312 . 1 1 36 36 MET CA C 13 60.712 0.097 . 1 . . . . . . . . 5599 1 313 . 1 1 36 36 MET HA H 1 3.965 0.0 . 1 . . . . . . . . 5599 1 314 . 1 1 36 36 MET C C 13 177.317 0.0 . 1 . . . . . . . . 5599 1 315 . 1 1 36 36 MET CB C 13 34.143 0.0080 . 1 . . . . . . . . 5599 1 316 . 1 1 36 36 MET HB2 H 1 2.536 0.0 . 1 . . . . . . . . 5599 1 317 . 1 1 37 37 PHE H H 1 7.955 0.0040 . 1 . . . . . . . . 5599 1 318 . 1 1 37 37 PHE N N 15 118.707 0.047 . 1 . . . . . . . . 5599 1 319 . 1 1 37 37 PHE CA C 13 62.871 0.042 . 1 . . . . . . . . 5599 1 320 . 1 1 37 37 PHE HA H 1 4.145 0.0060 . 1 . . . . . . . . 5599 1 321 . 1 1 37 37 PHE C C 13 176.432 0.0 . 1 . . . . . . . . 5599 1 322 . 1 1 37 37 PHE CB C 13 39.543 0.037 . 1 . . . . . . . . 5599 1 323 . 1 1 37 37 PHE HB2 H 1 3.174 0.0010 . 1 . . . . . . . . 5599 1 324 . 1 1 38 38 SER H H 1 8.167 0.0030 . 1 . . . . . . . . 5599 1 325 . 1 1 38 38 SER N N 15 115.126 0.024 . 1 . . . . . . . . 5599 1 326 . 1 1 38 38 SER CA C 13 62.686 0.047 . 1 . . . . . . . . 5599 1 327 . 1 1 38 38 SER C C 13 177.147 0.0 . 1 . . . . . . . . 5599 1 328 . 1 1 38 38 SER CB C 13 63.344 0.0 . 1 . . . . . . . . 5599 1 329 . 1 1 39 39 GLU H H 1 8.368 0.0030 . 1 . . . . . . . . 5599 1 330 . 1 1 39 39 GLU N N 15 121.772 0.018 . 1 . . . . . . . . 5599 1 331 . 1 1 39 39 GLU CA C 13 59.64 0.086 . 1 . . . . . . . . 5599 1 332 . 1 1 39 39 GLU HA H 1 4.458 0.01 . 1 . . . . . . . . 5599 1 333 . 1 1 39 39 GLU C C 13 178.789 0.0 . 1 . . . . . . . . 5599 1 334 . 1 1 39 39 GLU CB C 13 30.068 0.054 . 1 . . . . . . . . 5599 1 335 . 1 1 39 39 GLU HB2 H 1 2.405 0.012 . 1 . . . . . . . . 5599 1 336 . 1 1 39 39 GLU CG C 13 36.5 0.0 . 1 . . . . . . . . 5599 1 337 . 1 1 39 39 GLU HG2 H 1 2.25 0.0 . 1 . . . . . . . . 5599 1 338 . 1 1 40 40 PHE H H 1 8.349 0.0030 . 1 . . . . . . . . 5599 1 339 . 1 1 40 40 PHE N N 15 122.015 0.013 . 1 . . . . . . . . 5599 1 340 . 1 1 40 40 PHE CA C 13 62.929 0.091 . 1 . . . . . . . . 5599 1 341 . 1 1 40 40 PHE HA H 1 4.08 0.01 . 1 . . . . . . . . 5599 1 342 . 1 1 40 40 PHE C C 13 176.888 0.0 . 1 . . . . . . . . 5599 1 343 . 1 1 40 40 PHE CB C 13 41.103 0.208 . 1 . . . . . . . . 5599 1 344 . 1 1 40 40 PHE HB2 H 1 3.282 0.0030 . 1 . . . . . . . . 5599 1 345 . 1 1 40 40 PHE HB3 H 1 3.054 0.0010 . 1 . . . . . . . . 5599 1 346 . 1 1 41 41 ASP H H 1 8.651 0.0080 . 1 . . . . . . . . 5599 1 347 . 1 1 41 41 ASP N N 15 120.625 0.104 . 1 . . . . . . . . 5599 1 348 . 1 1 41 41 ASP CA C 13 56.533 0.058 . 1 . . . . . . . . 5599 1 349 . 1 1 41 41 ASP HA H 1 4.984 0.0080 . 1 . . . . . . . . 5599 1 350 . 1 1 41 41 ASP C C 13 178.853 0.0 . 1 . . . . . . . . 5599 1 351 . 1 1 41 41 ASP CB C 13 42.607 0.245 . 1 . . . . . . . . 5599 1 352 . 1 1 41 41 ASP HB2 H 1 2.632 0.011 . 1 . . . . . . . . 5599 1 353 . 1 1 41 41 ASP HB3 H 1 2.349 0.017 . 1 . . . . . . . . 5599 1 354 . 1 1 42 42 LYS H H 1 8.046 0.0050 . 1 . . . . . . . . 5599 1 355 . 1 1 42 42 LYS N N 15 117.947 0.044 . 1 . . . . . . . . 5599 1 356 . 1 1 42 42 LYS CA C 13 59.826 0.162 . 1 . . . . . . . . 5599 1 357 . 1 1 42 42 LYS HA H 1 3.89 0.0060 . 1 . . . . . . . . 5599 1 358 . 1 1 42 42 LYS C C 13 178.106 0.0 . 1 . . . . . . . . 5599 1 359 . 1 1 42 42 LYS CB C 13 32.984 0.094 . 1 . . . . . . . . 5599 1 360 . 1 1 42 42 LYS HB2 H 1 1.897 0.02 . 1 . . . . . . . . 5599 1 361 . 1 1 42 42 LYS CG C 13 25.477 0.041 . 1 . . . . . . . . 5599 1 362 . 1 1 42 42 LYS HG2 H 1 1.427 0.0070 . 1 . . . . . . . . 5599 1 363 . 1 1 42 42 LYS HG3 H 1 1.53 0.0020 . 1 . . . . . . . . 5599 1 364 . 1 1 42 42 LYS CD C 13 29.899 0.0060 . 1 . . . . . . . . 5599 1 365 . 1 1 42 42 LYS HD2 H 1 1.647 0.0020 . 1 . . . . . . . . 5599 1 366 . 1 1 42 42 LYS CE C 13 42.51 0.029 . 1 . . . . . . . . 5599 1 367 . 1 1 42 42 LYS HE2 H 1 2.924 0.0070 . 1 . . . . . . . . 5599 1 368 . 1 1 43 43 ARG H H 1 7.285 0.0040 . 1 . . . . . . . . 5599 1 369 . 1 1 43 43 ARG N N 15 116.819 0.013 . 1 . . . . . . . . 5599 1 370 . 1 1 43 43 ARG CA C 13 57.957 0.059 . 1 . . . . . . . . 5599 1 371 . 1 1 43 43 ARG HA H 1 4.091 0.0050 . 1 . . . . . . . . 5599 1 372 . 1 1 43 43 ARG C C 13 177.482 0.0 . 1 . . . . . . . . 5599 1 373 . 1 1 43 43 ARG CB C 13 31.355 0.09 . 1 . . . . . . . . 5599 1 374 . 1 1 43 43 ARG HB2 H 1 1.468 0.0050 . 1 . . . . . . . . 5599 1 375 . 1 1 43 43 ARG HB3 H 1 1.18 0.0070 . 1 . . . . . . . . 5599 1 376 . 1 1 43 43 ARG CG C 13 27.982 0.031 . 1 . . . . . . . . 5599 1 377 . 1 1 43 43 ARG HG2 H 1 0.931 0.01 . 1 . . . . . . . . 5599 1 378 . 1 1 43 43 ARG CD C 13 43.09 0.017 . 1 . . . . . . . . 5599 1 379 . 1 1 43 43 ARG HD2 H 1 2.972 0.0030 . 1 . . . . . . . . 5599 1 380 . 1 1 44 44 TYR H H 1 8.07 0.0090 . 1 . . . . . . . . 5599 1 381 . 1 1 44 44 TYR N N 15 115.218 0.037 . 1 . . . . . . . . 5599 1 382 . 1 1 44 44 TYR CA C 13 60.441 0.047 . 1 . . . . . . . . 5599 1 383 . 1 1 44 44 TYR HA H 1 4.741 0.0 . 1 . . . . . . . . 5599 1 384 . 1 1 44 44 TYR C C 13 176.584 0.0 . 1 . . . . . . . . 5599 1 385 . 1 1 44 44 TYR CB C 13 41.257 0.137 . 1 . . . . . . . . 5599 1 386 . 1 1 44 44 TYR HB2 H 1 2.907 0.0 . 1 . . . . . . . . 5599 1 387 . 1 1 45 45 THR H H 1 7.65 0.0040 . 1 . . . . . . . . 5599 1 388 . 1 1 45 45 THR N N 15 109.159 0.018 . 1 . . . . . . . . 5599 1 389 . 1 1 45 45 THR CA C 13 63.393 0.126 . 1 . . . . . . . . 5599 1 390 . 1 1 45 45 THR HA H 1 4.393 0.0060 . 1 . . . . . . . . 5599 1 391 . 1 1 45 45 THR C C 13 175.731 0.0 . 1 . . . . . . . . 5599 1 392 . 1 1 45 45 THR CB C 13 69.914 0.071 . 1 . . . . . . . . 5599 1 393 . 1 1 45 45 THR HB H 1 4.344 0.01 . 1 . . . . . . . . 5599 1 394 . 1 1 45 45 THR CG2 C 13 24.06 0.0 . 1 . . . . . . . . 5599 1 395 . 1 1 45 45 THR HG21 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 396 . 1 1 45 45 THR HG22 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 397 . 1 1 45 45 THR HG23 H 1 1.231 0.0010 . 1 . . . . . . . . 5599 1 398 . 1 1 46 46 HIS H H 1 8.575 0.0040 . 1 . . . . . . . . 5599 1 399 . 1 1 46 46 HIS N N 15 124.846 0.09 . 1 . . . . . . . . 5599 1 400 . 1 1 46 46 HIS CA C 13 58.63 0.043 . 1 . . . . . . . . 5599 1 401 . 1 1 46 46 HIS HA H 1 4.37 0.0070 . 1 . . . . . . . . 5599 1 402 . 1 1 46 46 HIS C C 13 176.712 0.0 . 1 . . . . . . . . 5599 1 403 . 1 1 46 46 HIS CB C 13 29.639 0.072 . 1 . . . . . . . . 5599 1 404 . 1 1 46 46 HIS HB2 H 1 3.125 0.0020 . 1 . . . . . . . . 5599 1 405 . 1 1 48 48 ARG C C 13 177.527 0.0 . 1 . . . . . . . . 5599 1 406 . 1 1 49 49 GLY H H 1 8.067 0.221 . 1 . . . . . . . . 5599 1 407 . 1 1 49 49 GLY N N 15 114.491 2.958 . 1 . . . . . . . . 5599 1 408 . 1 1 49 49 GLY CA C 13 46.681 0.1 . 1 . . . . . . . . 5599 1 409 . 1 1 49 49 GLY HA2 H 1 3.818 0.0050 . 1 . . . . . . . . 5599 1 410 . 1 1 49 49 GLY C C 13 174.954 0.0 . 1 . . . . . . . . 5599 1 411 . 1 1 50 50 PHE H H 1 7.675 0.01 . 1 . . . . . . . . 5599 1 412 . 1 1 50 50 PHE N N 15 118.795 0.043 . 1 . . . . . . . . 5599 1 413 . 1 1 50 50 PHE CA C 13 58.127 0.107 . 1 . . . . . . . . 5599 1 414 . 1 1 50 50 PHE HA H 1 4.604 0.0030 . 1 . . . . . . . . 5599 1 415 . 1 1 50 50 PHE C C 13 176.331 0.0 . 1 . . . . . . . . 5599 1 416 . 1 1 50 50 PHE CB C 13 38.64 0.072 . 1 . . . . . . . . 5599 1 417 . 1 1 50 50 PHE HB2 H 1 2.953 0.0010 . 1 . . . . . . . . 5599 1 418 . 1 1 50 50 PHE HB3 H 1 3.103 0.0040 . 1 . . . . . . . . 5599 1 419 . 1 1 51 51 ILE H H 1 7.582 0.0030 . 1 . . . . . . . . 5599 1 420 . 1 1 51 51 ILE N N 15 122.094 0.03 . 1 . . . . . . . . 5599 1 421 . 1 1 51 51 ILE CA C 13 61.926 0.068 . 1 . . . . . . . . 5599 1 422 . 1 1 51 51 ILE HA H 1 4.124 0.01 . 1 . . . . . . . . 5599 1 423 . 1 1 51 51 ILE C C 13 176.471 0.0 . 1 . . . . . . . . 5599 1 424 . 1 1 51 51 ILE CB C 13 38.625 0.033 . 1 . . . . . . . . 5599 1 425 . 1 1 51 51 ILE HB H 1 1.818 0.011 . 1 . . . . . . . . 5599 1 426 . 1 1 51 51 ILE CG2 C 13 18.117 0.034 . 1 . . . . . . . . 5599 1 427 . 1 1 51 51 ILE HG21 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 428 . 1 1 51 51 ILE HG22 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 429 . 1 1 51 51 ILE HG23 H 1 0.795 0.0030 . 1 . . . . . . . . 5599 1 430 . 1 1 51 51 ILE CG1 C 13 27.9 0.0 . 1 . . . . . . . . 5599 1 431 . 1 1 51 51 ILE HG12 H 1 1.071 0.0050 . 1 . . . . . . . . 5599 1 432 . 1 1 51 51 ILE HG13 H 1 1.297 0.0060 . 1 . . . . . . . . 5599 1 433 . 1 1 51 51 ILE CD1 C 13 13.5 0.0 . 1 . . . . . . . . 5599 1 434 . 1 1 51 51 ILE HD11 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 435 . 1 1 51 51 ILE HD12 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 436 . 1 1 51 51 ILE HD13 H 1 0.752 0.0070 . 1 . . . . . . . . 5599 1 437 . 1 1 52 52 THR H H 1 7.791 0.0030 . 1 . . . . . . . . 5599 1 438 . 1 1 52 52 THR N N 15 116.84 0.031 . 1 . . . . . . . . 5599 1 439 . 1 1 52 52 THR CA C 13 63.195 0.077 . 1 . . . . . . . . 5599 1 440 . 1 1 52 52 THR HA H 1 4.235 0.0050 . 1 . . . . . . . . 5599 1 441 . 1 1 52 52 THR C C 13 174.987 0.0 . 1 . . . . . . . . 5599 1 442 . 1 1 52 52 THR CB C 13 69.647 0.054 . 1 . . . . . . . . 5599 1 443 . 1 1 52 52 THR HB H 1 4.216 0.0 . 1 . . . . . . . . 5599 1 444 . 1 1 52 52 THR CG2 C 13 21.9 0.0 . 1 . . . . . . . . 5599 1 445 . 1 1 52 52 THR HG21 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 446 . 1 1 52 52 THR HG22 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 447 . 1 1 52 52 THR HG23 H 1 1.205 0.0040 . 1 . . . . . . . . 5599 1 448 . 1 1 53 53 LYS H H 1 7.853 0.0090 . 1 . . . . . . . . 5599 1 449 . 1 1 53 53 LYS N N 15 122.686 0.03 . 1 . . . . . . . . 5599 1 450 . 1 1 53 53 LYS CA C 13 56.834 0.081 . 1 . . . . . . . . 5599 1 451 . 1 1 53 53 LYS HA H 1 4.381 0.015 . 1 . . . . . . . . 5599 1 452 . 1 1 53 53 LYS C C 13 176.459 0.0 . 1 . . . . . . . . 5599 1 453 . 1 1 53 53 LYS CB C 13 33.419 0.058 . 1 . . . . . . . . 5599 1 454 . 1 1 53 53 LYS HB2 H 1 1.809 0.0080 . 1 . . . . . . . . 5599 1 455 . 1 1 53 53 LYS HB3 H 1 1.922 0.0070 . 1 . . . . . . . . 5599 1 456 . 1 1 53 53 LYS CG C 13 25.427 0.039 . 1 . . . . . . . . 5599 1 457 . 1 1 53 53 LYS HG2 H 1 1.466 0.017 . 1 . . . . . . . . 5599 1 458 . 1 1 53 53 LYS CD C 13 29.695 0.051 . 1 . . . . . . . . 5599 1 459 . 1 1 53 53 LYS HD2 H 1 1.717 0.024 . 1 . . . . . . . . 5599 1 460 . 1 1 53 53 LYS CE C 13 42.701 0.0010 . 1 . . . . . . . . 5599 1 461 . 1 1 53 53 LYS HE2 H 1 3.003 0.0050 . 1 . . . . . . . . 5599 1 462 . 1 1 54 54 ALA H H 1 7.893 0.0090 . 1 . . . . . . . . 5599 1 463 . 1 1 54 54 ALA N N 15 125.176 0.069 . 1 . . . . . . . . 5599 1 464 . 1 1 54 54 ALA CA C 13 53.282 0.101 . 1 . . . . . . . . 5599 1 465 . 1 1 54 54 ALA HA H 1 4.413 0.0050 . 1 . . . . . . . . 5599 1 466 . 1 1 54 54 ALA C C 13 177.585 0.0 . 1 . . . . . . . . 5599 1 467 . 1 1 54 54 ALA CB C 13 19.944 0.072 . 1 . . . . . . . . 5599 1 468 . 1 1 54 54 ALA HB1 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 469 . 1 1 54 54 ALA HB2 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 470 . 1 1 54 54 ALA HB3 H 1 1.442 0.0010 . 1 . . . . . . . . 5599 1 471 . 1 1 55 55 ILE H H 1 7.896 0.0040 . 1 . . . . . . . . 5599 1 472 . 1 1 55 55 ILE N N 15 119.771 0.042 . 1 . . . . . . . . 5599 1 473 . 1 1 55 55 ILE CA C 13 61.956 0.077 . 1 . . . . . . . . 5599 1 474 . 1 1 55 55 ILE HA H 1 4.215 0.0070 . 1 . . . . . . . . 5599 1 475 . 1 1 55 55 ILE C C 13 176.043 0.0 . 1 . . . . . . . . 5599 1 476 . 1 1 55 55 ILE CB C 13 39.186 0.085 . 1 . . . . . . . . 5599 1 477 . 1 1 55 55 ILE HB H 1 1.885 0.0060 . 1 . . . . . . . . 5599 1 478 . 1 1 55 55 ILE CG2 C 13 18.035 0.144 . 1 . . . . . . . . 5599 1 479 . 1 1 55 55 ILE HG21 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 480 . 1 1 55 55 ILE HG22 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 481 . 1 1 55 55 ILE HG23 H 1 1.231 0.0090 . 1 . . . . . . . . 5599 1 482 . 1 1 55 55 ILE CG1 C 13 27.726 0.159 . 1 . . . . . . . . 5599 1 483 . 1 1 55 55 ILE HG12 H 1 1.501 0.016 . 1 . . . . . . . . 5599 1 484 . 1 1 55 55 ILE HG13 H 1 0.948 0.0040 . 1 . . . . . . . . 5599 1 485 . 1 1 55 55 ILE CD1 C 13 13.545 0.063 . 1 . . . . . . . . 5599 1 486 . 1 1 55 55 ILE HD11 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 487 . 1 1 55 55 ILE HD12 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 488 . 1 1 55 55 ILE HD13 H 1 0.896 0.0070 . 1 . . . . . . . . 5599 1 489 . 1 1 56 56 ASN H H 1 8.165 0.0080 . 1 . . . . . . . . 5599 1 490 . 1 1 56 56 ASN N N 15 124.086 0.029 . 1 . . . . . . . . 5599 1 491 . 1 1 56 56 ASN CA C 13 55.072 0.093 . 1 . . . . . . . . 5599 1 492 . 1 1 56 56 ASN HA H 1 4.598 0.0040 . 1 . . . . . . . . 5599 1 493 . 1 1 56 56 ASN C C 13 176.283 0.0 . 1 . . . . . . . . 5599 1 494 . 1 1 56 56 ASN CB C 13 41.885 0.041 . 1 . . . . . . . . 5599 1 495 . 1 1 56 56 ASN HB2 H 1 2.672 0.015 . 1 . . . . . . . . 5599 1 496 . 1 1 57 57 SER H H 1 8.141 0.013 . 1 . . . . . . . . 5599 1 497 . 1 1 57 57 SER N N 15 116.671 0.082 . 1 . . . . . . . . 5599 1 498 . 1 1 57 57 SER CA C 13 58.718 0.03 . 1 . . . . . . . . 5599 1 499 . 1 1 57 57 SER C C 13 174.794 0.0 . 1 . . . . . . . . 5599 1 500 . 1 1 57 57 SER CB C 13 64.327 0.0 . 1 . . . . . . . . 5599 1 501 . 1 1 59 59 HIS CA C 13 60.482 0.088 . 1 . . . . . . . . 5599 1 502 . 1 1 59 59 HIS C C 13 176.42 0.0 . 1 . . . . . . . . 5599 1 503 . 1 1 60 60 THR H H 1 7.41 0.0030 . 1 . . . . . . . . 5599 1 504 . 1 1 60 60 THR N N 15 109.131 0.047 . 1 . . . . . . . . 5599 1 505 . 1 1 60 60 THR CA C 13 62.583 0.034 . 1 . . . . . . . . 5599 1 506 . 1 1 60 60 THR C C 13 176.933 0.0 . 1 . . . . . . . . 5599 1 507 . 1 1 60 60 THR CB C 13 68.721 0.147 . 1 . . . . . . . . 5599 1 508 . 1 1 61 61 SER H H 1 7.846 0.0030 . 1 . . . . . . . . 5599 1 509 . 1 1 61 61 SER N N 15 119.049 0.052 . 1 . . . . . . . . 5599 1 510 . 1 1 61 61 SER CA C 13 62.059 0.09 . 1 . . . . . . . . 5599 1 511 . 1 1 61 61 SER C C 13 173.661 0.0 . 1 . . . . . . . . 5599 1 512 . 1 1 61 61 SER CB C 13 63.626 0.0 . 1 . . . . . . . . 5599 1 513 . 1 1 62 62 SER CA C 13 59.7 0.1 . 1 . . . . . . . . 5599 1 514 . 1 1 62 62 SER HA H 1 4.382 0.0080 . 1 . . . . . . . . 5599 1 515 . 1 1 62 62 SER C C 13 175.031 0.0 . 1 . . . . . . . . 5599 1 516 . 1 1 62 62 SER CB C 13 63.459 0.187 . 1 . . . . . . . . 5599 1 517 . 1 1 62 62 SER HB2 H 1 4.028 0.0060 . 1 . . . . . . . . 5599 1 518 . 1 1 63 63 LEU H H 1 7.461 0.0030 . 1 . . . . . . . . 5599 1 519 . 1 1 63 63 LEU N N 15 123.912 0.023 . 1 . . . . . . . . 5599 1 520 . 1 1 63 63 LEU CA C 13 54.987 0.146 . 1 . . . . . . . . 5599 1 521 . 1 1 63 63 LEU HA H 1 4.388 0.017 . 1 . . . . . . . . 5599 1 522 . 1 1 63 63 LEU C C 13 176.302 0.0 . 1 . . . . . . . . 5599 1 523 . 1 1 63 63 LEU CB C 13 43.05 0.236 . 1 . . . . . . . . 5599 1 524 . 1 1 63 63 LEU HB2 H 1 1.902 0.011 . 1 . . . . . . . . 5599 1 525 . 1 1 63 63 LEU CG C 13 26.7 0.0 . 1 . . . . . . . . 5599 1 526 . 1 1 63 63 LEU CD1 C 13 23.767 0.0 . 1 . . . . . . . . 5599 1 527 . 1 1 63 63 LEU HD11 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 528 . 1 1 63 63 LEU HD12 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 529 . 1 1 63 63 LEU HD13 H 1 0.939 0.0070 . 1 . . . . . . . . 5599 1 530 . 1 1 63 63 LEU HG H 1 1.412 0.014 . 1 . . . . . . . . 5599 1 531 . 1 1 64 64 ALA H H 1 8.354 0.0060 . 1 . . . . . . . . 5599 1 532 . 1 1 64 64 ALA N N 15 127.783 0.048 . 1 . . . . . . . . 5599 1 533 . 1 1 64 64 ALA CA C 13 52.523 0.086 . 1 . . . . . . . . 5599 1 534 . 1 1 64 64 ALA HA H 1 4.485 0.0090 . 1 . . . . . . . . 5599 1 535 . 1 1 64 64 ALA C C 13 176.9 0.032 . 1 . . . . . . . . 5599 1 536 . 1 1 64 64 ALA CB C 13 18.181 0.079 . 1 . . . . . . . . 5599 1 537 . 1 1 64 64 ALA HB1 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 538 . 1 1 64 64 ALA HB2 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 539 . 1 1 64 64 ALA HB3 H 1 1.368 0.0 . 1 . . . . . . . . 5599 1 540 . 1 1 65 65 THR H H 1 7.989 0.0030 . 1 . . . . . . . . 5599 1 541 . 1 1 65 65 THR N N 15 113.97 0.026 . 1 . . . . . . . . 5599 1 542 . 1 1 65 65 THR CA C 13 58.611 0.044 . 1 . . . . . . . . 5599 1 543 . 1 1 65 65 THR HA H 1 4.581 0.0090 . 1 . . . . . . . . 5599 1 544 . 1 1 65 65 THR C C 13 173.206 0.0 . 1 . . . . . . . . 5599 1 545 . 1 1 65 65 THR CB C 13 69.168 0.105 . 1 . . . . . . . . 5599 1 546 . 1 1 65 65 THR HB H 1 4.656 0.0080 . 1 . . . . . . . . 5599 1 547 . 1 1 65 65 THR CG2 C 13 23.307 0.0 . 1 . . . . . . . . 5599 1 548 . 1 1 65 65 THR HG21 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 549 . 1 1 65 65 THR HG22 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 550 . 1 1 65 65 THR HG23 H 1 1.323 0.0010 . 1 . . . . . . . . 5599 1 551 . 1 1 66 66 PRO CA C 13 63.226 0.09 . 1 . . . . . . . . 5599 1 552 . 1 1 66 66 PRO HA H 1 4.528 0.0070 . 1 . . . . . . . . 5599 1 553 . 1 1 66 66 PRO C C 13 178.17 0.0 . 1 . . . . . . . . 5599 1 554 . 1 1 66 66 PRO CB C 13 31.748 0.158 . 1 . . . . . . . . 5599 1 555 . 1 1 66 66 PRO HB2 H 1 1.877 0.0060 . 1 . . . . . . . . 5599 1 556 . 1 1 66 66 PRO CG C 13 28.334 0.168 . 1 . . . . . . . . 5599 1 557 . 1 1 66 66 PRO HG2 H 1 1.865 0.0050 . 1 . . . . . . . . 5599 1 558 . 1 1 66 66 PRO HG3 H 1 1.631 0.0090 . 1 . . . . . . . . 5599 1 559 . 1 1 66 66 PRO CD C 13 50.614 0.176 . 1 . . . . . . . . 5599 1 560 . 1 1 66 66 PRO HD2 H 1 3.387 0.016 . 1 . . . . . . . . 5599 1 561 . 1 1 66 66 PRO HD3 H 1 3.518 0.012 . 1 . . . . . . . . 5599 1 562 . 1 1 67 67 GLU H H 1 8.744 0.0030 . 1 . . . . . . . . 5599 1 563 . 1 1 67 67 GLU N N 15 124.791 0.031 . 1 . . . . . . . . 5599 1 564 . 1 1 67 67 GLU CA C 13 57.69 0.087 . 1 . . . . . . . . 5599 1 565 . 1 1 67 67 GLU HA H 1 4.377 0.011 . 1 . . . . . . . . 5599 1 566 . 1 1 67 67 GLU C C 13 175.747 0.0 . 1 . . . . . . . . 5599 1 567 . 1 1 67 67 GLU CB C 13 31.27 0.112 . 1 . . . . . . . . 5599 1 568 . 1 1 67 67 GLU HB2 H 1 2.221 0.014 . 1 . . . . . . . . 5599 1 569 . 1 1 67 67 GLU HB3 H 1 1.932 0.012 . 1 . . . . . . . . 5599 1 570 . 1 1 67 67 GLU CG C 13 36.595 0.01 . 1 . . . . . . . . 5599 1 571 . 1 1 67 67 GLU HG2 H 1 2.42 0.013 . 1 . . . . . . . . 5599 1 572 . 1 1 68 68 ASP H H 1 7.503 0.0010 . 1 . . . . . . . . 5599 1 573 . 1 1 68 68 ASP N N 15 117.092 0.02 . 1 . . . . . . . . 5599 1 574 . 1 1 68 68 ASP CA C 13 53.484 0.181 . 1 . . . . . . . . 5599 1 575 . 1 1 68 68 ASP HA H 1 4.739 0.0080 . 1 . . . . . . . . 5599 1 576 . 1 1 68 68 ASP C C 13 176.391 0.0 . 1 . . . . . . . . 5599 1 577 . 1 1 68 68 ASP CB C 13 43.167 0.119 . 1 . . . . . . . . 5599 1 578 . 1 1 68 68 ASP HB2 H 1 3.046 0.011 . 1 . . . . . . . . 5599 1 579 . 1 1 68 68 ASP HB3 H 1 2.862 0.014 . 1 . . . . . . . . 5599 1 580 . 1 1 69 69 LYS H H 1 8.461 0.0090 . 1 . . . . . . . . 5599 1 581 . 1 1 69 69 LYS N N 15 121.637 0.049 . 1 . . . . . . . . 5599 1 582 . 1 1 69 69 LYS CA C 13 59.825 0.087 . 1 . . . . . . . . 5599 1 583 . 1 1 69 69 LYS HA H 1 4.078 0.013 . 1 . . . . . . . . 5599 1 584 . 1 1 69 69 LYS C C 13 177.934 0.0 . 1 . . . . . . . . 5599 1 585 . 1 1 69 69 LYS CB C 13 33.317 0.271 . 1 . . . . . . . . 5599 1 586 . 1 1 69 69 LYS HB2 H 1 1.929 0.019 . 1 . . . . . . . . 5599 1 587 . 1 1 69 69 LYS CG C 13 25.248 0.174 . 1 . . . . . . . . 5599 1 588 . 1 1 69 69 LYS HG2 H 1 1.509 0.013 . 1 . . . . . . . . 5599 1 589 . 1 1 69 69 LYS CD C 13 29.819 0.13 . 1 . . . . . . . . 5599 1 590 . 1 1 69 69 LYS HD2 H 1 1.742 0.011 . 1 . . . . . . . . 5599 1 591 . 1 1 69 69 LYS CE C 13 42.561 0.147 . 1 . . . . . . . . 5599 1 592 . 1 1 69 69 LYS HE2 H 1 3.043 0.0070 . 1 . . . . . . . . 5599 1 593 . 1 1 70 70 GLU H H 1 8.255 0.0030 . 1 . . . . . . . . 5599 1 594 . 1 1 70 70 GLU N N 15 121.764 0.037 . 1 . . . . . . . . 5599 1 595 . 1 1 70 70 GLU CA C 13 60.268 0.038 . 1 . . . . . . . . 5599 1 596 . 1 1 70 70 GLU HA H 1 4.096 0.0090 . 1 . . . . . . . . 5599 1 597 . 1 1 70 70 GLU C C 13 179.306 0.0 . 1 . . . . . . . . 5599 1 598 . 1 1 70 70 GLU CB C 13 29.333 0.172 . 1 . . . . . . . . 5599 1 599 . 1 1 70 70 GLU HB2 H 1 2.148 0.01 . 1 . . . . . . . . 5599 1 600 . 1 1 70 70 GLU CG C 13 37.194 0.169 . 1 . . . . . . . . 5599 1 601 . 1 1 70 70 GLU HG2 H 1 2.318 0.0050 . 1 . . . . . . . . 5599 1 602 . 1 1 71 71 GLN H H 1 8.572 0.0030 . 1 . . . . . . . . 5599 1 603 . 1 1 71 71 GLN N N 15 119.473 0.039 . 1 . . . . . . . . 5599 1 604 . 1 1 71 71 GLN CA C 13 59.091 0.181 . 1 . . . . . . . . 5599 1 605 . 1 1 71 71 GLN HA H 1 4.06 0.01 . 1 . . . . . . . . 5599 1 606 . 1 1 71 71 GLN C C 13 179.381 0.0 . 1 . . . . . . . . 5599 1 607 . 1 1 71 71 GLN CB C 13 29.499 0.063 . 1 . . . . . . . . 5599 1 608 . 1 1 71 71 GLN HB2 H 1 2.057 0.018 . 1 . . . . . . . . 5599 1 609 . 1 1 71 71 GLN CG C 13 34.679 0.088 . 1 . . . . . . . . 5599 1 610 . 1 1 71 71 GLN HG2 H 1 2.8 0.0070 . 1 . . . . . . . . 5599 1 611 . 1 1 71 71 GLN HG3 H 1 2.439 0.012 . 1 . . . . . . . . 5599 1 612 . 1 1 72 72 ALA H H 1 7.885 0.0020 . 1 . . . . . . . . 5599 1 613 . 1 1 72 72 ALA N N 15 122.737 0.033 . 1 . . . . . . . . 5599 1 614 . 1 1 72 72 ALA CA C 13 55.382 0.03 . 1 . . . . . . . . 5599 1 615 . 1 1 72 72 ALA HA H 1 3.79 0.0080 . 1 . . . . . . . . 5599 1 616 . 1 1 72 72 ALA C C 13 178.841 0.0 . 1 . . . . . . . . 5599 1 617 . 1 1 72 72 ALA CB C 13 18.934 0.112 . 1 . . . . . . . . 5599 1 618 . 1 1 72 72 ALA HB1 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 619 . 1 1 72 72 ALA HB2 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 620 . 1 1 72 72 ALA HB3 H 1 1.475 0.0020 . 1 . . . . . . . . 5599 1 621 . 1 1 73 73 GLN H H 1 8.039 0.0060 . 1 . . . . . . . . 5599 1 622 . 1 1 73 73 GLN N N 15 116.732 0.05 . 1 . . . . . . . . 5599 1 623 . 1 1 73 73 GLN CA C 13 58.529 0.086 . 1 . . . . . . . . 5599 1 624 . 1 1 73 73 GLN HA H 1 4.079 0.013 . 1 . . . . . . . . 5599 1 625 . 1 1 73 73 GLN C C 13 176.965 0.0 . 1 . . . . . . . . 5599 1 626 . 1 1 73 73 GLN CB C 13 29.367 0.09 . 1 . . . . . . . . 5599 1 627 . 1 1 73 73 GLN HB2 H 1 2.136 0.063 . 1 . . . . . . . . 5599 1 628 . 1 1 73 73 GLN CG C 13 34.665 0.035 . 1 . . . . . . . . 5599 1 629 . 1 1 73 73 GLN HG2 H 1 2.539 0.031 . 1 . . . . . . . . 5599 1 630 . 1 1 74 74 GLN H H 1 7.292 0.0020 . 1 . . . . . . . . 5599 1 631 . 1 1 74 74 GLN N N 15 115.682 0.032 . 1 . . . . . . . . 5599 1 632 . 1 1 74 74 GLN CA C 13 56.381 0.064 . 1 . . . . . . . . 5599 1 633 . 1 1 74 74 GLN HA H 1 4.259 0.0040 . 1 . . . . . . . . 5599 1 634 . 1 1 74 74 GLN C C 13 176.31 0.0 . 1 . . . . . . . . 5599 1 635 . 1 1 74 74 GLN CB C 13 29.583 0.254 . 1 . . . . . . . . 5599 1 636 . 1 1 74 74 GLN HB2 H 1 2.183 0.011 . 1 . . . . . . . . 5599 1 637 . 1 1 74 74 GLN HB3 H 1 2.03 0.022 . 1 . . . . . . . . 5599 1 638 . 1 1 74 74 GLN CG C 13 34.307 0.082 . 1 . . . . . . . . 5599 1 639 . 1 1 74 74 GLN HG2 H 1 2.553 0.0030 . 1 . . . . . . . . 5599 1 640 . 1 1 74 74 GLN HG3 H 1 2.496 0.0050 . 1 . . . . . . . . 5599 1 641 . 1 1 75 75 MET H H 1 7.207 0.0010 . 1 . . . . . . . . 5599 1 642 . 1 1 75 75 MET N N 15 121.303 0.021 . 1 . . . . . . . . 5599 1 643 . 1 1 75 75 MET CA C 13 56.555 0.035 . 1 . . . . . . . . 5599 1 644 . 1 1 75 75 MET C C 13 175.9 0.019 . 1 . . . . . . . . 5599 1 645 . 1 1 75 75 MET CB C 13 33.724 0.193 . 1 . . . . . . . . 5599 1 646 . 1 1 76 76 ASN H H 1 8.979 0.0040 . 1 . . . . . . . . 5599 1 647 . 1 1 76 76 ASN N N 15 125.152 0.048 . 1 . . . . . . . . 5599 1 648 . 1 1 76 76 ASN CA C 13 54.04 0.056 . 1 . . . . . . . . 5599 1 649 . 1 1 76 76 ASN HA H 1 4.662 0.015 . 1 . . . . . . . . 5599 1 650 . 1 1 76 76 ASN C C 13 173.213 0.0 . 1 . . . . . . . . 5599 1 651 . 1 1 76 76 ASN CB C 13 39.935 0.0060 . 1 . . . . . . . . 5599 1 652 . 1 1 76 76 ASN HB2 H 1 3.115 0.0080 . 1 . . . . . . . . 5599 1 653 . 1 1 77 77 GLN CA C 13 60.829 0.07 . 1 . . . . . . . . 5599 1 654 . 1 1 77 77 GLN C C 13 176.898 0.0 . 1 . . . . . . . . 5599 1 655 . 1 1 77 77 GLN CB C 13 32.383 0.0 . 1 . . . . . . . . 5599 1 656 . 1 1 77 77 GLN HB2 H 1 1.974 0.0 . 1 . . . . . . . . 5599 1 657 . 1 1 77 77 GLN HB3 H 1 2.076 0.0 . 1 . . . . . . . . 5599 1 658 . 1 1 77 77 GLN HG2 H 1 2.308 0.0 . 1 . . . . . . . . 5599 1 659 . 1 1 77 77 GLN HG3 H 1 2.308 0.0 . 1 . . . . . . . . 5599 1 660 . 1 1 78 78 LYS H H 1 8.146 0.0020 . 1 . . . . . . . . 5599 1 661 . 1 1 78 78 LYS N N 15 121.246 0.046 . 1 . . . . . . . . 5599 1 662 . 1 1 78 78 LYS CA C 13 60.668 0.069 . 1 . . . . . . . . 5599 1 663 . 1 1 78 78 LYS HA H 1 3.794 0.0060 . 1 . . . . . . . . 5599 1 664 . 1 1 78 78 LYS C C 13 178.658 0.0 . 1 . . . . . . . . 5599 1 665 . 1 1 78 78 LYS CB C 13 32.296 0.149 . 1 . . . . . . . . 5599 1 666 . 1 1 78 78 LYS HB2 H 1 1.41 0.0090 . 1 . . . . . . . . 5599 1 667 . 1 1 78 78 LYS HB3 H 1 1.625 0.011 . 1 . . . . . . . . 5599 1 668 . 1 1 78 78 LYS CG C 13 25.301 0.081 . 1 . . . . . . . . 5599 1 669 . 1 1 78 78 LYS HG2 H 1 1.176 0.0030 . 1 . . . . . . . . 5599 1 670 . 1 1 78 78 LYS CD C 13 29.712 0.108 . 1 . . . . . . . . 5599 1 671 . 1 1 78 78 LYS HD2 H 1 1.506 0.0090 . 1 . . . . . . . . 5599 1 672 . 1 1 78 78 LYS CE C 13 42.582 0.037 . 1 . . . . . . . . 5599 1 673 . 1 1 78 78 LYS HE2 H 1 2.901 0.0050 . 1 . . . . . . . . 5599 1 674 . 1 1 79 79 ASP H H 1 7.941 0.0030 . 1 . . . . . . . . 5599 1 675 . 1 1 79 79 ASP N N 15 120.905 0.032 . 1 . . . . . . . . 5599 1 676 . 1 1 79 79 ASP CA C 13 57.422 0.024 . 1 . . . . . . . . 5599 1 677 . 1 1 79 79 ASP C C 13 178.979 0.0 . 1 . . . . . . . . 5599 1 678 . 1 1 79 79 ASP CB C 13 40.614 0.042 . 1 . . . . . . . . 5599 1 679 . 1 1 80 80 PHE H H 1 8.302 0.0070 . 1 . . . . . . . . 5599 1 680 . 1 1 80 80 PHE N N 15 122.903 0.012 . 1 . . . . . . . . 5599 1 681 . 1 1 80 80 PHE CA C 13 60.199 0.037 . 1 . . . . . . . . 5599 1 682 . 1 1 80 80 PHE HA H 1 4.485 0.01 . 1 . . . . . . . . 5599 1 683 . 1 1 80 80 PHE C C 13 178.233 0.0 . 1 . . . . . . . . 5599 1 684 . 1 1 80 80 PHE CB C 13 40.022 0.143 . 1 . . . . . . . . 5599 1 685 . 1 1 80 80 PHE HB2 H 1 3.205 0.0040 . 1 . . . . . . . . 5599 1 686 . 1 1 81 81 LEU H H 1 8.348 0.0050 . 1 . . . . . . . . 5599 1 687 . 1 1 81 81 LEU N N 15 119.514 0.018 . 1 . . . . . . . . 5599 1 688 . 1 1 81 81 LEU CA C 13 59.281 0.103 . 1 . . . . . . . . 5599 1 689 . 1 1 81 81 LEU HA H 1 4.01 0.012 . 1 . . . . . . . . 5599 1 690 . 1 1 81 81 LEU C C 13 178.467 0.0 . 1 . . . . . . . . 5599 1 691 . 1 1 81 81 LEU CB C 13 42.24 0.224 . 1 . . . . . . . . 5599 1 692 . 1 1 81 81 LEU HB2 H 1 2.114 0.017 . 1 . . . . . . . . 5599 1 693 . 1 1 81 81 LEU CD1 C 13 24.465 0.11 . 1 . . . . . . . . 5599 1 694 . 1 1 81 81 LEU HD11 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 695 . 1 1 81 81 LEU HD12 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 696 . 1 1 81 81 LEU HD13 H 1 1.027 0.0080 . 1 . . . . . . . . 5599 1 697 . 1 1 81 81 LEU HD21 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 698 . 1 1 81 81 LEU HD22 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 699 . 1 1 81 81 LEU HD23 H 1 0.9 0.0010 . 1 . . . . . . . . 5599 1 700 . 1 1 81 81 LEU HG H 1 1.556 0.0 . 1 . . . . . . . . 5599 1 701 . 1 1 82 82 SER H H 1 8.075 0.0030 . 1 . . . . . . . . 5599 1 702 . 1 1 82 82 SER N N 15 113.965 0.04 . 1 . . . . . . . . 5599 1 703 . 1 1 82 82 SER CA C 13 62.521 0.18 . 1 . . . . . . . . 5599 1 704 . 1 1 82 82 SER C C 13 176.845 0.0 . 1 . . . . . . . . 5599 1 705 . 1 1 83 83 LEU H H 1 7.89 0.0030 . 1 . . . . . . . . 5599 1 706 . 1 1 83 83 LEU N N 15 124.617 0.027 . 1 . . . . . . . . 5599 1 707 . 1 1 83 83 LEU CA C 13 58.846 0.102 . 1 . . . . . . . . 5599 1 708 . 1 1 83 83 LEU C C 13 178.252 0.0 . 1 . . . . . . . . 5599 1 709 . 1 1 83 83 LEU CB C 13 42.834 0.0 . 1 . . . . . . . . 5599 1 710 . 1 1 84 84 ILE H H 1 7.87 0.0020 . 1 . . . . . . . . 5599 1 711 . 1 1 84 84 ILE N N 15 119.332 0.016 . 1 . . . . . . . . 5599 1 712 . 1 1 84 84 ILE CA C 13 66.856 0.139 . 1 . . . . . . . . 5599 1 713 . 1 1 84 84 ILE HA H 1 3.624 0.0060 . 1 . . . . . . . . 5599 1 714 . 1 1 84 84 ILE C C 13 177.557 0.0 . 1 . . . . . . . . 5599 1 715 . 1 1 84 84 ILE CB C 13 38.972 0.191 . 1 . . . . . . . . 5599 1 716 . 1 1 84 84 ILE HB H 1 2.112 0.017 . 1 . . . . . . . . 5599 1 717 . 1 1 84 84 ILE CG2 C 13 18.487 0.0 . 1 . . . . . . . . 5599 1 718 . 1 1 84 84 ILE HG12 H 1 1.001 0.0040 . 1 . . . . . . . . 5599 1 719 . 1 1 84 84 ILE HG13 H 1 1.077 0.0080 . 1 . . . . . . . . 5599 1 720 . 1 1 84 84 ILE CD1 C 13 15.221 0.0090 . 1 . . . . . . . . 5599 1 721 . 1 1 84 84 ILE HD11 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 722 . 1 1 84 84 ILE HD12 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 723 . 1 1 84 84 ILE HD13 H 1 0.859 0.0070 . 1 . . . . . . . . 5599 1 724 . 1 1 85 85 VAL H H 1 7.841 0.0030 . 1 . . . . . . . . 5599 1 725 . 1 1 85 85 VAL N N 15 118.48 0.03 . 1 . . . . . . . . 5599 1 726 . 1 1 85 85 VAL CA C 13 68.33 0.078 . 1 . . . . . . . . 5599 1 727 . 1 1 85 85 VAL HA H 1 3.494 0.01 . 1 . . . . . . . . 5599 1 728 . 1 1 85 85 VAL C C 13 177.314 0.0 . 1 . . . . . . . . 5599 1 729 . 1 1 85 85 VAL CB C 13 32.23 0.198 . 1 . . . . . . . . 5599 1 730 . 1 1 85 85 VAL HB H 1 2.266 0.0060 . 1 . . . . . . . . 5599 1 731 . 1 1 85 85 VAL HG11 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 732 . 1 1 85 85 VAL HG12 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 733 . 1 1 85 85 VAL HG13 H 1 1.152 0.0030 . 1 . . . . . . . . 5599 1 734 . 1 1 85 85 VAL CG2 C 13 22.104 0.0 . 1 . . . . . . . . 5599 1 735 . 1 1 85 85 VAL HG21 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 736 . 1 1 85 85 VAL HG22 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 737 . 1 1 85 85 VAL HG23 H 1 1.04 0.015 . 1 . . . . . . . . 5599 1 738 . 1 1 86 86 SER H H 1 8.426 0.0030 . 1 . . . . . . . . 5599 1 739 . 1 1 86 86 SER N N 15 116.95 0.015 . 1 . . . . . . . . 5599 1 740 . 1 1 86 86 SER CA C 13 63.53 0.062 . 1 . . . . . . . . 5599 1 741 . 1 1 86 86 SER C C 13 176.71 0.0 . 1 . . . . . . . . 5599 1 742 . 1 1 87 87 ILE H H 1 8.37 0.0050 . 1 . . . . . . . . 5599 1 743 . 1 1 87 87 ILE N N 15 122.215 0.041 . 1 . . . . . . . . 5599 1 744 . 1 1 87 87 ILE CA C 13 66.984 0.176 . 1 . . . . . . . . 5599 1 745 . 1 1 87 87 ILE C C 13 179.024 0.0 . 1 . . . . . . . . 5599 1 746 . 1 1 87 87 ILE CB C 13 41.684 0.097 . 1 . . . . . . . . 5599 1 747 . 1 1 88 88 LEU H H 1 8.097 0.0080 . 1 . . . . . . . . 5599 1 748 . 1 1 88 88 LEU N N 15 120.312 0.033 . 1 . . . . . . . . 5599 1 749 . 1 1 88 88 LEU CA C 13 59.453 0.034 . 1 . . . . . . . . 5599 1 750 . 1 1 88 88 LEU HA H 1 4.156 0.015 . 1 . . . . . . . . 5599 1 751 . 1 1 88 88 LEU C C 13 179.822 0.0 . 1 . . . . . . . . 5599 1 752 . 1 1 88 88 LEU CB C 13 44.023 0.044 . 1 . . . . . . . . 5599 1 753 . 1 1 88 88 LEU HB2 H 1 1.397 0.0090 . 1 . . . . . . . . 5599 1 754 . 1 1 88 88 LEU HB3 H 1 2.174 0.0020 . 1 . . . . . . . . 5599 1 755 . 1 1 88 88 LEU HD11 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 756 . 1 1 88 88 LEU HD12 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 757 . 1 1 88 88 LEU HD13 H 1 0.972 0.0010 . 1 . . . . . . . . 5599 1 758 . 1 1 88 88 LEU HD21 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 759 . 1 1 88 88 LEU HD22 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 760 . 1 1 88 88 LEU HD23 H 1 0.84 0.0010 . 1 . . . . . . . . 5599 1 761 . 1 1 89 89 ARG H H 1 8.93 0.0060 . 1 . . . . . . . . 5599 1 762 . 1 1 89 89 ARG N N 15 118.996 0.017 . 1 . . . . . . . . 5599 1 763 . 1 1 89 89 ARG CA C 13 60.008 0.149 . 1 . . . . . . . . 5599 1 764 . 1 1 89 89 ARG HA H 1 3.877 0.016 . 1 . . . . . . . . 5599 1 765 . 1 1 89 89 ARG C C 13 179.728 0.0 . 1 . . . . . . . . 5599 1 766 . 1 1 89 89 ARG CB C 13 30.042 0.351 . 1 . . . . . . . . 5599 1 767 . 1 1 89 89 ARG HB2 H 1 1.819 0.012 . 1 . . . . . . . . 5599 1 768 . 1 1 89 89 ARG CG C 13 29.9 0.0 . 1 . . . . . . . . 5599 1 769 . 1 1 89 89 ARG HG2 H 1 1.492 0.011 . 1 . . . . . . . . 5599 1 770 . 1 1 89 89 ARG HG3 H 1 1.094 0.0040 . 1 . . . . . . . . 5599 1 771 . 1 1 89 89 ARG CD C 13 44.057 0.085 . 1 . . . . . . . . 5599 1 772 . 1 1 89 89 ARG HD2 H 1 3.082 0.011 . 1 . . . . . . . . 5599 1 773 . 1 1 90 90 SER H H 1 7.838 0.0020 . 1 . . . . . . . . 5599 1 774 . 1 1 90 90 SER N N 15 115.092 0.031 . 1 . . . . . . . . 5599 1 775 . 1 1 90 90 SER CA C 13 61.525 0.114 . 1 . . . . . . . . 5599 1 776 . 1 1 90 90 SER HA H 1 4.348 0.01 . 1 . . . . . . . . 5599 1 777 . 1 1 90 90 SER C C 13 175.723 0.0 . 1 . . . . . . . . 5599 1 778 . 1 1 90 90 SER CB C 13 63.933 0.056 . 1 . . . . . . . . 5599 1 779 . 1 1 90 90 SER HB2 H 1 4.033 0.0020 . 1 . . . . . . . . 5599 1 780 . 1 1 91 91 TRP H H 1 7.7 0.0040 . 1 . . . . . . . . 5599 1 781 . 1 1 91 91 TRP N N 15 122.566 0.042 . 1 . . . . . . . . 5599 1 782 . 1 1 91 91 TRP CA C 13 60.007 0.13 . 1 . . . . . . . . 5599 1 783 . 1 1 91 91 TRP HA H 1 4.612 0.0090 . 1 . . . . . . . . 5599 1 784 . 1 1 91 91 TRP C C 13 176.493 0.0 . 1 . . . . . . . . 5599 1 785 . 1 1 91 91 TRP CB C 13 30.519 0.108 . 1 . . . . . . . . 5599 1 786 . 1 1 91 91 TRP HB2 H 1 3.151 0.0090 . 1 . . . . . . . . 5599 1 787 . 1 1 91 91 TRP HB3 H 1 3.558 0.0080 . 1 . . . . . . . . 5599 1 788 . 1 1 92 92 ASN H H 1 7.249 0.0010 . 1 . . . . . . . . 5599 1 789 . 1 1 92 92 ASN N N 15 120.59 0.038 . 1 . . . . . . . . 5599 1 790 . 1 1 92 92 ASN CA C 13 58.401 0.081 . 1 . . . . . . . . 5599 1 791 . 1 1 92 92 ASN HA H 1 4.59 0.0070 . 1 . . . . . . . . 5599 1 792 . 1 1 92 92 ASN C C 13 177.225 0.0 . 1 . . . . . . . . 5599 1 793 . 1 1 92 92 ASN CB C 13 39.466 0.104 . 1 . . . . . . . . 5599 1 794 . 1 1 92 92 ASN HB2 H 1 2.968 0.0020 . 1 . . . . . . . . 5599 1 795 . 1 1 93 93 GLU H H 1 9.208 0.0040 . 1 . . . . . . . . 5599 1 796 . 1 1 93 93 GLU N N 15 120.386 0.028 . 1 . . . . . . . . 5599 1 797 . 1 1 93 93 GLU CA C 13 61.681 0.02 . 1 . . . . . . . . 5599 1 798 . 1 1 93 93 GLU C C 13 175.682 0.0 . 1 . . . . . . . . 5599 1 799 . 1 1 93 93 GLU CB C 13 27.977 0.0 . 1 . . . . . . . . 5599 1 800 . 1 1 94 94 PRO CA C 13 66.547 0.097 . 1 . . . . . . . . 5599 1 801 . 1 1 94 94 PRO C C 13 178.201 0.0 . 1 . . . . . . . . 5599 1 802 . 1 1 94 94 PRO CB C 13 29.583 0.0 . 1 . . . . . . . . 5599 1 803 . 1 1 95 95 LEU H H 1 7.74 0.0020 . 1 . . . . . . . . 5599 1 804 . 1 1 95 95 LEU N N 15 114.717 0.026 . 1 . . . . . . . . 5599 1 805 . 1 1 95 95 LEU CA C 13 58.905 0.103 . 1 . . . . . . . . 5599 1 806 . 1 1 95 95 LEU C C 13 178.178 0.0 . 1 . . . . . . . . 5599 1 807 . 1 1 95 95 LEU CB C 13 42.043 0.173 . 1 . . . . . . . . 5599 1 808 . 1 1 96 96 TYR H H 1 7.742 0.0040 . 1 . . . . . . . . 5599 1 809 . 1 1 96 96 TYR N N 15 120.997 0.019 . 1 . . . . . . . . 5599 1 810 . 1 1 96 96 TYR CA C 13 61.762 0.067 . 1 . . . . . . . . 5599 1 811 . 1 1 96 96 TYR HA H 1 4.295 0.0070 . 1 . . . . . . . . 5599 1 812 . 1 1 96 96 TYR C C 13 179.405 0.0 . 1 . . . . . . . . 5599 1 813 . 1 1 96 96 TYR CB C 13 38.358 0.039 . 1 . . . . . . . . 5599 1 814 . 1 1 96 96 TYR HB2 H 1 3.253 0.019 . 1 . . . . . . . . 5599 1 815 . 1 1 97 97 HIS H H 1 8.145 0.0030 . 1 . . . . . . . . 5599 1 816 . 1 1 97 97 HIS N N 15 120.525 0.029 . 1 . . . . . . . . 5599 1 817 . 1 1 97 97 HIS CA C 13 60.707 0.08 . 1 . . . . . . . . 5599 1 818 . 1 1 97 97 HIS HA H 1 4.243 0.0010 . 1 . . . . . . . . 5599 1 819 . 1 1 97 97 HIS C C 13 176.791 0.0 . 1 . . . . . . . . 5599 1 820 . 1 1 97 97 HIS CB C 13 31.321 0.041 . 1 . . . . . . . . 5599 1 821 . 1 1 97 97 HIS HB2 H 1 3.233 0.0090 . 1 . . . . . . . . 5599 1 822 . 1 1 97 97 HIS HB3 H 1 3.134 0.02 . 1 . . . . . . . . 5599 1 823 . 1 1 98 98 LEU H H 1 8.833 0.0030 . 1 . . . . . . . . 5599 1 824 . 1 1 98 98 LEU N N 15 123.094 0.089 . 1 . . . . . . . . 5599 1 825 . 1 1 98 98 LEU CA C 13 59.479 0.033 . 1 . . . . . . . . 5599 1 826 . 1 1 98 98 LEU C C 13 177.51 0.0 . 1 . . . . . . . . 5599 1 827 . 1 1 98 98 LEU CB C 13 42.608 0.0 . 1 . . . . . . . . 5599 1 828 . 1 1 99 99 VAL H H 1 7.68 0.0030 . 1 . . . . . . . . 5599 1 829 . 1 1 99 99 VAL N N 15 117.339 0.0070 . 1 . . . . . . . . 5599 1 830 . 1 1 99 99 VAL CA C 13 67.999 0.065 . 1 . . . . . . . . 5599 1 831 . 1 1 99 99 VAL HA H 1 3.274 0.0050 . 1 . . . . . . . . 5599 1 832 . 1 1 99 99 VAL C C 13 177.316 0.0 . 1 . . . . . . . . 5599 1 833 . 1 1 99 99 VAL CB C 13 32.571 0.08 . 1 . . . . . . . . 5599 1 834 . 1 1 99 99 VAL HB H 1 2.089 0.0070 . 1 . . . . . . . . 5599 1 835 . 1 1 99 99 VAL CG1 C 13 24.063 0.018 . 1 . . . . . . . . 5599 1 836 . 1 1 99 99 VAL HG11 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 837 . 1 1 99 99 VAL HG12 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 838 . 1 1 99 99 VAL HG13 H 1 1.034 0.01 . 1 . . . . . . . . 5599 1 839 . 1 1 99 99 VAL CG2 C 13 22.526 0.025 . 1 . . . . . . . . 5599 1 840 . 1 1 99 99 VAL HG21 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 841 . 1 1 99 99 VAL HG22 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 842 . 1 1 99 99 VAL HG23 H 1 0.894 0.0030 . 1 . . . . . . . . 5599 1 843 . 1 1 100 100 THR H H 1 7.555 0.0080 . 1 . . . . . . . . 5599 1 844 . 1 1 100 100 THR N N 15 114.507 0.046 . 1 . . . . . . . . 5599 1 845 . 1 1 100 100 THR CA C 13 67.547 0.066 . 1 . . . . . . . . 5599 1 846 . 1 1 100 100 THR HA H 1 3.649 0.0080 . 1 . . . . . . . . 5599 1 847 . 1 1 100 100 THR C C 13 177.702 0.0 . 1 . . . . . . . . 5599 1 848 . 1 1 100 100 THR CB C 13 69.322 0.19 . 1 . . . . . . . . 5599 1 849 . 1 1 100 100 THR HB H 1 4.15 0.011 . 1 . . . . . . . . 5599 1 850 . 1 1 100 100 THR HG21 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 851 . 1 1 100 100 THR HG22 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 852 . 1 1 100 100 THR HG23 H 1 1.142 0.0010 . 1 . . . . . . . . 5599 1 853 . 1 1 101 101 GLU H H 1 8.949 0.0030 . 1 . . . . . . . . 5599 1 854 . 1 1 101 101 GLU N N 15 122.095 0.012 . 1 . . . . . . . . 5599 1 855 . 1 1 101 101 GLU CA C 13 59.354 0.046 . 1 . . . . . . . . 5599 1 856 . 1 1 101 101 GLU HA H 1 4.056 0.0010 . 1 . . . . . . . . 5599 1 857 . 1 1 101 101 GLU C C 13 180.416 0.0 . 1 . . . . . . . . 5599 1 858 . 1 1 101 101 GLU CB C 13 30.484 0.048 . 1 . . . . . . . . 5599 1 859 . 1 1 101 101 GLU HB2 H 1 2.156 0.0040 . 1 . . . . . . . . 5599 1 860 . 1 1 101 101 GLU CG C 13 36.831 0.197 . 1 . . . . . . . . 5599 1 861 . 1 1 101 101 GLU HG2 H 1 2.406 0.0070 . 1 . . . . . . . . 5599 1 862 . 1 1 102 102 VAL H H 1 8.466 0.0040 . 1 . . . . . . . . 5599 1 863 . 1 1 102 102 VAL N N 15 121.276 0.022 . 1 . . . . . . . . 5599 1 864 . 1 1 102 102 VAL CA C 13 66.762 0.077 . 1 . . . . . . . . 5599 1 865 . 1 1 102 102 VAL HA H 1 3.934 0.0090 . 1 . . . . . . . . 5599 1 866 . 1 1 102 102 VAL C C 13 178.596 0.0 . 1 . . . . . . . . 5599 1 867 . 1 1 102 102 VAL CB C 13 31.452 0.256 . 1 . . . . . . . . 5599 1 868 . 1 1 102 102 VAL HB H 1 2.249 0.0020 . 1 . . . . . . . . 5599 1 869 . 1 1 102 102 VAL CG1 C 13 23.683 0.188 . 1 . . . . . . . . 5599 1 870 . 1 1 102 102 VAL HG11 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 871 . 1 1 102 102 VAL HG12 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 872 . 1 1 102 102 VAL HG13 H 1 1.131 0.0070 . 1 . . . . . . . . 5599 1 873 . 1 1 102 102 VAL CG2 C 13 23.017 0.034 . 1 . . . . . . . . 5599 1 874 . 1 1 102 102 VAL HG21 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 875 . 1 1 102 102 VAL HG22 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 876 . 1 1 102 102 VAL HG23 H 1 1.012 0.053 . 1 . . . . . . . . 5599 1 877 . 1 1 103 103 ARG H H 1 8.275 0.0020 . 1 . . . . . . . . 5599 1 878 . 1 1 103 103 ARG N N 15 120.061 0.088 . 1 . . . . . . . . 5599 1 879 . 1 1 103 103 ARG CA C 13 60.056 0.038 . 1 . . . . . . . . 5599 1 880 . 1 1 103 103 ARG HA H 1 3.977 0.0030 . 1 . . . . . . . . 5599 1 881 . 1 1 103 103 ARG C C 13 177.707 0.0 . 1 . . . . . . . . 5599 1 882 . 1 1 103 103 ARG CB C 13 31.005 0.239 . 1 . . . . . . . . 5599 1 883 . 1 1 103 103 ARG HB2 H 1 1.915 0.028 . 1 . . . . . . . . 5599 1 884 . 1 1 103 103 ARG HG2 H 1 1.84 0.0020 . 1 . . . . . . . . 5599 1 885 . 1 1 103 103 ARG CD C 13 44.2 0.0 . 1 . . . . . . . . 5599 1 886 . 1 1 103 103 ARG HD2 H 1 3.248 0.0070 . 1 . . . . . . . . 5599 1 887 . 1 1 104 104 GLY H H 1 7.364 0.0020 . 1 . . . . . . . . 5599 1 888 . 1 1 104 104 GLY N N 15 104.273 0.019 . 1 . . . . . . . . 5599 1 889 . 1 1 104 104 GLY CA C 13 45.573 0.064 . 1 . . . . . . . . 5599 1 890 . 1 1 104 104 GLY HA2 H 1 4.252 0.014 . 1 . . . . . . . . 5599 1 891 . 1 1 104 104 GLY HA3 H 1 3.832 0.0080 . 1 . . . . . . . . 5599 1 892 . 1 1 104 104 GLY C C 13 174.396 0.0 . 1 . . . . . . . . 5599 1 893 . 1 1 105 105 MET H H 1 7.463 0.0030 . 1 . . . . . . . . 5599 1 894 . 1 1 105 105 MET N N 15 122.592 0.056 . 1 . . . . . . . . 5599 1 895 . 1 1 105 105 MET CA C 13 56.929 0.021 . 1 . . . . . . . . 5599 1 896 . 1 1 105 105 MET HA H 1 4.392 0.0 . 1 . . . . . . . . 5599 1 897 . 1 1 105 105 MET C C 13 176.358 0.0 . 1 . . . . . . . . 5599 1 898 . 1 1 105 105 MET CB C 13 33.836 0.162 . 1 . . . . . . . . 5599 1 899 . 1 1 106 106 GLN H H 1 8.612 0.0030 . 1 . . . . . . . . 5599 1 900 . 1 1 106 106 GLN N N 15 124.6 0.018 . 1 . . . . . . . . 5599 1 901 . 1 1 106 106 GLN CA C 13 58.525 0.062 . 1 . . . . . . . . 5599 1 902 . 1 1 106 106 GLN HA H 1 4.179 0.0 . 1 . . . . . . . . 5599 1 903 . 1 1 106 106 GLN C C 13 176.805 0.0 . 1 . . . . . . . . 5599 1 904 . 1 1 106 106 GLN CB C 13 29.29 0.15 . 1 . . . . . . . . 5599 1 905 . 1 1 106 106 GLN HB2 H 1 2.164 0.0050 . 1 . . . . . . . . 5599 1 906 . 1 1 106 106 GLN CG C 13 34.665 0.035 . 1 . . . . . . . . 5599 1 907 . 1 1 106 106 GLN HG2 H 1 2.516 0.0020 . 1 . . . . . . . . 5599 1 908 . 1 1 107 107 GLU H H 1 8.66 0.0030 . 1 . . . . . . . . 5599 1 909 . 1 1 107 107 GLU N N 15 119.985 0.049 . 1 . . . . . . . . 5599 1 910 . 1 1 107 107 GLU CA C 13 56.496 0.082 . 1 . . . . . . . . 5599 1 911 . 1 1 107 107 GLU HA H 1 4.258 0.0060 . 1 . . . . . . . . 5599 1 912 . 1 1 107 107 GLU C C 13 175.607 0.0070 . 1 . . . . . . . . 5599 1 913 . 1 1 107 107 GLU CB C 13 29.213 0.081 . 1 . . . . . . . . 5599 1 914 . 1 1 107 107 GLU HB2 H 1 2.179 0.01 . 1 . . . . . . . . 5599 1 915 . 1 1 107 107 GLU CG C 13 37.099 0.0020 . 1 . . . . . . . . 5599 1 916 . 1 1 107 107 GLU HG2 H 1 2.288 0.0060 . 1 . . . . . . . . 5599 1 917 . 1 1 108 108 ALA H H 1 7.772 0.0020 . 1 . . . . . . . . 5599 1 918 . 1 1 108 108 ALA N N 15 125.481 0.022 . 1 . . . . . . . . 5599 1 919 . 1 1 108 108 ALA CA C 13 51.569 0.016 . 1 . . . . . . . . 5599 1 920 . 1 1 108 108 ALA HA H 1 4.518 0.013 . 1 . . . . . . . . 5599 1 921 . 1 1 108 108 ALA C C 13 176.308 0.0 . 1 . . . . . . . . 5599 1 922 . 1 1 108 108 ALA CB C 13 19.06 0.0 . 1 . . . . . . . . 5599 1 923 . 1 1 108 108 ALA HB1 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 924 . 1 1 108 108 ALA HB2 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 925 . 1 1 108 108 ALA HB3 H 1 1.454 0.0020 . 1 . . . . . . . . 5599 1 926 . 1 1 109 109 PRO CA C 13 56.481 0.041 . 1 . . . . . . . . 5599 1 927 . 1 1 109 109 PRO C C 13 176.207 0.0 . 1 . . . . . . . . 5599 1 928 . 1 1 109 109 PRO CB C 13 33.888 0.0 . 1 . . . . . . . . 5599 1 929 . 1 1 110 110 GLU H H 1 8.427 0.0060 . 1 . . . . . . . . 5599 1 930 . 1 1 110 110 GLU N N 15 123.885 0.06 . 1 . . . . . . . . 5599 1 931 . 1 1 110 110 GLU CA C 13 56.929 0.13 . 1 . . . . . . . . 5599 1 932 . 1 1 110 110 GLU HA H 1 4.369 0.014 . 1 . . . . . . . . 5599 1 933 . 1 1 110 110 GLU C C 13 175.552 0.0 . 1 . . . . . . . . 5599 1 934 . 1 1 110 110 GLU CB C 13 29.9 0.0 . 1 . . . . . . . . 5599 1 935 . 1 1 110 110 GLU HB2 H 1 2.122 0.0080 . 1 . . . . . . . . 5599 1 936 . 1 1 110 110 GLU CG C 13 36.861 0.039 . 1 . . . . . . . . 5599 1 937 . 1 1 110 110 GLU HG2 H 1 2.317 0.0070 . 1 . . . . . . . . 5599 1 938 . 1 1 111 111 ALA H H 1 8.092 0.0030 . 1 . . . . . . . . 5599 1 939 . 1 1 111 111 ALA N N 15 125.292 0.033 . 1 . . . . . . . . 5599 1 940 . 1 1 111 111 ALA CA C 13 55.332 0.095 . 1 . . . . . . . . 5599 1 941 . 1 1 111 111 ALA HA H 1 4.285 0.023 . 1 . . . . . . . . 5599 1 942 . 1 1 111 111 ALA C C 13 179.729 0.0 . 1 . . . . . . . . 5599 1 943 . 1 1 111 111 ALA CB C 13 19.315 0.015 . 1 . . . . . . . . 5599 1 944 . 1 1 111 111 ALA HB1 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 945 . 1 1 111 111 ALA HB2 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 946 . 1 1 111 111 ALA HB3 H 1 1.452 0.0030 . 1 . . . . . . . . 5599 1 947 . 1 1 112 112 ILE H H 1 7.201 0.0020 . 1 . . . . . . . . 5599 1 948 . 1 1 112 112 ILE N N 15 115.256 0.045 . 1 . . . . . . . . 5599 1 949 . 1 1 112 112 ILE CA C 13 64.66 0.058 . 1 . . . . . . . . 5599 1 950 . 1 1 112 112 ILE HA H 1 3.935 0.0070 . 1 . . . . . . . . 5599 1 951 . 1 1 112 112 ILE C C 13 176.461 0.0 . 1 . . . . . . . . 5599 1 952 . 1 1 112 112 ILE CB C 13 38.439 0.049 . 1 . . . . . . . . 5599 1 953 . 1 1 112 112 ILE HB H 1 2.065 0.0050 . 1 . . . . . . . . 5599 1 954 . 1 1 112 112 ILE CG2 C 13 17.458 0.117 . 1 . . . . . . . . 5599 1 955 . 1 1 112 112 ILE HG13 H 1 1.081 0.01 . 1 . . . . . . . . 5599 1 956 . 1 1 112 112 ILE CD1 C 13 13.6 0.213 . 1 . . . . . . . . 5599 1 957 . 1 1 112 112 ILE HD11 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 958 . 1 1 112 112 ILE HD12 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 959 . 1 1 112 112 ILE HD13 H 1 1.082 0.011 . 1 . . . . . . . . 5599 1 960 . 1 1 113 113 LEU H H 1 7.831 0.0040 . 1 . . . . . . . . 5599 1 961 . 1 1 113 113 LEU N N 15 121.303 0.054 . 1 . . . . . . . . 5599 1 962 . 1 1 113 113 LEU CA C 13 59.108 0.067 . 1 . . . . . . . . 5599 1 963 . 1 1 113 113 LEU HA H 1 4.057 0.0 . 1 . . . . . . . . 5599 1 964 . 1 1 113 113 LEU C C 13 177.603 0.0 . 1 . . . . . . . . 5599 1 965 . 1 1 113 113 LEU CB C 13 42.116 0.202 . 1 . . . . . . . . 5599 1 966 . 1 1 113 113 LEU HB2 H 1 1.926 0.0020 . 1 . . . . . . . . 5599 1 967 . 1 1 113 113 LEU HD11 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 968 . 1 1 113 113 LEU HD12 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 969 . 1 1 113 113 LEU HD13 H 1 0.991 0.0 . 1 . . . . . . . . 5599 1 970 . 1 1 114 114 SER H H 1 8.462 0.0050 . 1 . . . . . . . . 5599 1 971 . 1 1 114 114 SER N N 15 112.097 0.023 . 1 . . . . . . . . 5599 1 972 . 1 1 114 114 SER CA C 13 62.167 0.048 . 1 . . . . . . . . 5599 1 973 . 1 1 114 114 SER HA H 1 4.163 0.0060 . 1 . . . . . . . . 5599 1 974 . 1 1 114 114 SER C C 13 178.041 0.0 . 1 . . . . . . . . 5599 1 975 . 1 1 114 114 SER CB C 13 63.2 0.265 . 1 . . . . . . . . 5599 1 976 . 1 1 114 114 SER HB2 H 1 4.021 0.0080 . 1 . . . . . . . . 5599 1 977 . 1 1 115 115 LYS H H 1 7.154 0.0040 . 1 . . . . . . . . 5599 1 978 . 1 1 115 115 LYS N N 15 121.925 0.052 . 1 . . . . . . . . 5599 1 979 . 1 1 115 115 LYS CA C 13 60.077 0.047 . 1 . . . . . . . . 5599 1 980 . 1 1 115 115 LYS C C 13 176.941 0.0 . 1 . . . . . . . . 5599 1 981 . 1 1 115 115 LYS CB C 13 33.55 0.072 . 1 . . . . . . . . 5599 1 982 . 1 1 116 116 ALA H H 1 8.296 0.0080 . 1 . . . . . . . . 5599 1 983 . 1 1 116 116 ALA N N 15 124.335 0.039 . 1 . . . . . . . . 5599 1 984 . 1 1 116 116 ALA CA C 13 56.442 0.056 . 1 . . . . . . . . 5599 1 985 . 1 1 116 116 ALA HA H 1 3.874 0.0060 . 1 . . . . . . . . 5599 1 986 . 1 1 116 116 ALA C C 13 178.75 0.0 . 1 . . . . . . . . 5599 1 987 . 1 1 116 116 ALA CB C 13 18.349 0.363 . 1 . . . . . . . . 5599 1 988 . 1 1 116 116 ALA HB1 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 989 . 1 1 116 116 ALA HB2 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 990 . 1 1 116 116 ALA HB3 H 1 1.524 0.0040 . 1 . . . . . . . . 5599 1 991 . 1 1 117 117 VAL H H 1 8.281 0.0040 . 1 . . . . . . . . 5599 1 992 . 1 1 117 117 VAL N N 15 118.087 0.028 . 1 . . . . . . . . 5599 1 993 . 1 1 117 117 VAL CA C 13 66.603 0.094 . 1 . . . . . . . . 5599 1 994 . 1 1 117 117 VAL HA H 1 3.746 0.0050 . 1 . . . . . . . . 5599 1 995 . 1 1 117 117 VAL C C 13 179.046 0.0 . 1 . . . . . . . . 5599 1 996 . 1 1 117 117 VAL CB C 13 33.108 0.03 . 1 . . . . . . . . 5599 1 997 . 1 1 117 117 VAL HB H 1 2.198 0.0050 . 1 . . . . . . . . 5599 1 998 . 1 1 117 117 VAL CG1 C 13 21.501 0.143 . 1 . . . . . . . . 5599 1 999 . 1 1 117 117 VAL HG11 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1000 . 1 1 117 117 VAL HG12 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1001 . 1 1 117 117 VAL HG13 H 1 1.061 0.0040 . 1 . . . . . . . . 5599 1 1002 . 1 1 117 117 VAL CG2 C 13 23.865 0.092 . 1 . . . . . . . . 5599 1 1003 . 1 1 117 117 VAL HG21 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1004 . 1 1 117 117 VAL HG22 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1005 . 1 1 117 117 VAL HG23 H 1 1.175 0.0040 . 1 . . . . . . . . 5599 1 1006 . 1 1 118 118 GLU H H 1 7.472 0.0020 . 1 . . . . . . . . 5599 1 1007 . 1 1 118 118 GLU N N 15 121.525 0.027 . 1 . . . . . . . . 5599 1 1008 . 1 1 118 118 GLU CA C 13 59.664 0.074 . 1 . . . . . . . . 5599 1 1009 . 1 1 118 118 GLU HA H 1 4.455 0.015 . 1 . . . . . . . . 5599 1 1010 . 1 1 118 118 GLU C C 13 178.879 0.0 . 1 . . . . . . . . 5599 1 1011 . 1 1 118 118 GLU CB C 13 30.716 0.032 . 1 . . . . . . . . 5599 1 1012 . 1 1 118 118 GLU HB2 H 1 2.149 0.012 . 1 . . . . . . . . 5599 1 1013 . 1 1 118 118 GLU HB3 H 1 2.248 0.013 . 1 . . . . . . . . 5599 1 1014 . 1 1 118 118 GLU CG C 13 36.6 0.0 . 1 . . . . . . . . 5599 1 1015 . 1 1 118 118 GLU HG2 H 1 2.403 0.012 . 1 . . . . . . . . 5599 1 1016 . 1 1 119 119 ILE H H 1 8.944 0.0040 . 1 . . . . . . . . 5599 1 1017 . 1 1 119 119 ILE N N 15 121.369 0.098 . 1 . . . . . . . . 5599 1 1018 . 1 1 119 119 ILE CA C 13 67.122 0.084 . 1 . . . . . . . . 5599 1 1019 . 1 1 119 119 ILE HA H 1 3.497 0.01 . 1 . . . . . . . . 5599 1 1020 . 1 1 119 119 ILE C C 13 178.711 0.0 . 1 . . . . . . . . 5599 1 1021 . 1 1 119 119 ILE CB C 13 38.428 0.096 . 1 . . . . . . . . 5599 1 1022 . 1 1 119 119 ILE HB H 1 1.821 0.013 . 1 . . . . . . . . 5599 1 1023 . 1 1 119 119 ILE CG2 C 13 18.771 0.101 . 1 . . . . . . . . 5599 1 1024 . 1 1 119 119 ILE HG13 H 1 0.908 0.0020 . 1 . . . . . . . . 5599 1 1025 . 1 1 119 119 ILE CD1 C 13 14.916 0.044 . 1 . . . . . . . . 5599 1 1026 . 1 1 119 119 ILE HD11 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1027 . 1 1 119 119 ILE HD12 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1028 . 1 1 119 119 ILE HD13 H 1 0.709 0.0030 . 1 . . . . . . . . 5599 1 1029 . 1 1 120 120 GLU H H 1 8.439 0.0060 . 1 . . . . . . . . 5599 1 1030 . 1 1 120 120 GLU N N 15 125.252 0.028 . 1 . . . . . . . . 5599 1 1031 . 1 1 120 120 GLU CA C 13 61.503 0.032 . 1 . . . . . . . . 5599 1 1032 . 1 1 120 120 GLU HA H 1 3.933 0.0090 . 1 . . . . . . . . 5599 1 1033 . 1 1 120 120 GLU C C 13 177.981 0.0 . 1 . . . . . . . . 5599 1 1034 . 1 1 120 120 GLU CB C 13 29.794 0.073 . 1 . . . . . . . . 5599 1 1035 . 1 1 120 120 GLU HB2 H 1 2.243 0.0030 . 1 . . . . . . . . 5599 1 1036 . 1 1 120 120 GLU CG C 13 35.732 0.074 . 1 . . . . . . . . 5599 1 1037 . 1 1 120 120 GLU HG2 H 1 2.405 0.0060 . 1 . . . . . . . . 5599 1 1038 . 1 1 121 121 GLU H H 1 7.675 0.0030 . 1 . . . . . . . . 5599 1 1039 . 1 1 121 121 GLU N N 15 119.01 0.025 . 1 . . . . . . . . 5599 1 1040 . 1 1 121 121 GLU CA C 13 59.814 0.062 . 1 . . . . . . . . 5599 1 1041 . 1 1 121 121 GLU HA H 1 4.169 0.013 . 1 . . . . . . . . 5599 1 1042 . 1 1 121 121 GLU C C 13 179.584 0.0010 . 1 . . . . . . . . 5599 1 1043 . 1 1 121 121 GLU CB C 13 30.133 0.08 . 1 . . . . . . . . 5599 1 1044 . 1 1 121 121 GLU HB2 H 1 2.163 0.0060 . 1 . . . . . . . . 5599 1 1045 . 1 1 121 121 GLU CG C 13 36.142 0.042 . 1 . . . . . . . . 5599 1 1046 . 1 1 121 121 GLU HG2 H 1 2.407 0.017 . 1 . . . . . . . . 5599 1 1047 . 1 1 122 122 GLN H H 1 9.011 0.0020 . 1 . . . . . . . . 5599 1 1048 . 1 1 122 122 GLN N N 15 117.308 0.017 . 1 . . . . . . . . 5599 1 1049 . 1 1 122 122 GLN CA C 13 58.514 0.026 . 1 . . . . . . . . 5599 1 1050 . 1 1 122 122 GLN C C 13 179.105 0.0 . 1 . . . . . . . . 5599 1 1051 . 1 1 122 122 GLN CB C 13 30.514 0.0 . 1 . . . . . . . . 5599 1 1052 . 1 1 123 123 THR H H 1 8.493 0.0060 . 1 . . . . . . . . 5599 1 1053 . 1 1 123 123 THR N N 15 117.583 0.071 . 1 . . . . . . . . 5599 1 1054 . 1 1 123 123 THR CA C 13 68.656 0.136 . 1 . . . . . . . . 5599 1 1055 . 1 1 123 123 THR HA H 1 4.509 0.012 . 1 . . . . . . . . 5599 1 1056 . 1 1 123 123 THR C C 13 176.819 0.0 . 1 . . . . . . . . 5599 1 1057 . 1 1 123 123 THR CB C 13 62.639 0.273 . 1 . . . . . . . . 5599 1 1058 . 1 1 123 123 THR HB H 1 4.037 0.0070 . 1 . . . . . . . . 5599 1 1059 . 1 1 123 123 THR CG2 C 13 22.399 0.026 . 1 . . . . . . . . 5599 1 1060 . 1 1 123 123 THR HG21 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1061 . 1 1 123 123 THR HG22 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1062 . 1 1 123 123 THR HG23 H 1 0.677 0.0040 . 1 . . . . . . . . 5599 1 1063 . 1 1 124 124 LYS H H 1 7.144 0.0030 . 1 . . . . . . . . 5599 1 1064 . 1 1 124 124 LYS N N 15 122.29 0.017 . 1 . . . . . . . . 5599 1 1065 . 1 1 124 124 LYS CA C 13 61.013 0.065 . 1 . . . . . . . . 5599 1 1066 . 1 1 124 124 LYS HA H 1 3.961 0.0060 . 1 . . . . . . . . 5599 1 1067 . 1 1 124 124 LYS C C 13 179.774 0.0 . 1 . . . . . . . . 5599 1 1068 . 1 1 124 124 LYS CB C 13 32.72 0.02 . 1 . . . . . . . . 5599 1 1069 . 1 1 124 124 LYS HB2 H 1 1.925 0.0090 . 1 . . . . . . . . 5599 1 1070 . 1 1 124 124 LYS CD C 13 27.6 0.0 . 1 . . . . . . . . 5599 1 1071 . 1 1 124 124 LYS HD2 H 1 1.702 0.0090 . 1 . . . . . . . . 5599 1 1072 . 1 1 124 124 LYS CE C 13 43.477 0.0 . 1 . . . . . . . . 5599 1 1073 . 1 1 124 124 LYS HE2 H 1 3.253 0.013 . 1 . . . . . . . . 5599 1 1074 . 1 1 125 125 ARG H H 1 7.644 0.0030 . 1 . . . . . . . . 5599 1 1075 . 1 1 125 125 ARG N N 15 120.087 0.02 . 1 . . . . . . . . 5599 1 1076 . 1 1 125 125 ARG CA C 13 59.283 0.184 . 1 . . . . . . . . 5599 1 1077 . 1 1 125 125 ARG HA H 1 4.255 0.0020 . 1 . . . . . . . . 5599 1 1078 . 1 1 125 125 ARG C C 13 179.875 0.0 . 1 . . . . . . . . 5599 1 1079 . 1 1 125 125 ARG CB C 13 30.79 0.095 . 1 . . . . . . . . 5599 1 1080 . 1 1 125 125 ARG HB2 H 1 1.935 0.0 . 1 . . . . . . . . 5599 1 1081 . 1 1 125 125 ARG CG C 13 27.624 0.0 . 1 . . . . . . . . 5599 1 1082 . 1 1 125 125 ARG HG2 H 1 1.45 0.0 . 1 . . . . . . . . 5599 1 1083 . 1 1 125 125 ARG CD C 13 44.039 0.0 . 1 . . . . . . . . 5599 1 1084 . 1 1 125 125 ARG HD2 H 1 3.262 0.0030 . 1 . . . . . . . . 5599 1 1085 . 1 1 126 126 LEU H H 1 8.796 0.0050 . 1 . . . . . . . . 5599 1 1086 . 1 1 126 126 LEU N N 15 124.479 0.054 . 1 . . . . . . . . 5599 1 1087 . 1 1 126 126 LEU CA C 13 58.312 0.04 . 1 . . . . . . . . 5599 1 1088 . 1 1 126 126 LEU C C 13 178.24 0.0 . 1 . . . . . . . . 5599 1 1089 . 1 1 126 126 LEU CB C 13 41.115 0.156 . 1 . . . . . . . . 5599 1 1090 . 1 1 127 127 LEU H H 1 8.468 0.0040 . 1 . . . . . . . . 5599 1 1091 . 1 1 127 127 LEU N N 15 122.273 0.026 . 1 . . . . . . . . 5599 1 1092 . 1 1 127 127 LEU CA C 13 59.359 0.107 . 1 . . . . . . . . 5599 1 1093 . 1 1 127 127 LEU C C 13 177.861 0.0 . 1 . . . . . . . . 5599 1 1094 . 1 1 127 127 LEU CB C 13 41.561 0.107 . 1 . . . . . . . . 5599 1 1095 . 1 1 128 128 GLU H H 1 7.932 0.0090 . 1 . . . . . . . . 5599 1 1096 . 1 1 128 128 GLU N N 15 119.552 0.14 . 1 . . . . . . . . 5599 1 1097 . 1 1 128 128 GLU CA C 13 60.055 0.073 . 1 . . . . . . . . 5599 1 1098 . 1 1 128 128 GLU HA H 1 4.174 0.0090 . 1 . . . . . . . . 5599 1 1099 . 1 1 128 128 GLU C C 13 180.083 0.0 . 1 . . . . . . . . 5599 1 1100 . 1 1 128 128 GLU CB C 13 30.401 0.013 . 1 . . . . . . . . 5599 1 1101 . 1 1 128 128 GLU HB2 H 1 2.266 0.012 . 1 . . . . . . . . 5599 1 1102 . 1 1 128 128 GLU CG C 13 36.93 0.029 . 1 . . . . . . . . 5599 1 1103 . 1 1 128 128 GLU HG2 H 1 2.518 0.0050 . 1 . . . . . . . . 5599 1 1104 . 1 1 129 129 GLY H H 1 7.976 0.0040 . 1 . . . . . . . . 5599 1 1105 . 1 1 129 129 GLY N N 15 107.798 0.024 . 1 . . . . . . . . 5599 1 1106 . 1 1 129 129 GLY CA C 13 47.765 0.127 . 1 . . . . . . . . 5599 1 1107 . 1 1 129 129 GLY HA2 H 1 3.883 0.0040 . 1 . . . . . . . . 5599 1 1108 . 1 1 129 129 GLY C C 13 176.051 0.0 . 1 . . . . . . . . 5599 1 1109 . 1 1 130 130 MET H H 1 8.753 0.0050 . 1 . . . . . . . . 5599 1 1110 . 1 1 130 130 MET N N 15 120.983 0.015 . 1 . . . . . . . . 5599 1 1111 . 1 1 130 130 MET CA C 13 56.1 0.067 . 1 . . . . . . . . 5599 1 1112 . 1 1 130 130 MET C C 13 179.136 0.0 . 1 . . . . . . . . 5599 1 1113 . 1 1 130 130 MET CB C 13 29.793 0.016 . 1 . . . . . . . . 5599 1 1114 . 1 1 131 131 GLU H H 1 8.673 0.0040 . 1 . . . . . . . . 5599 1 1115 . 1 1 131 131 GLU N N 15 121.032 0.027 . 1 . . . . . . . . 5599 1 1116 . 1 1 131 131 GLU CA C 13 60.702 0.085 . 1 . . . . . . . . 5599 1 1117 . 1 1 131 131 GLU HA H 1 4.037 0.017 . 1 . . . . . . . . 5599 1 1118 . 1 1 131 131 GLU C C 13 180.165 0.0 . 1 . . . . . . . . 5599 1 1119 . 1 1 131 131 GLU CB C 13 29.879 0.115 . 1 . . . . . . . . 5599 1 1120 . 1 1 131 131 GLU HB2 H 1 2.287 0.032 . 1 . . . . . . . . 5599 1 1121 . 1 1 131 131 GLU HB3 H 1 2.045 0.0090 . 1 . . . . . . . . 5599 1 1122 . 1 1 131 131 GLU CG C 13 37.772 0.139 . 1 . . . . . . . . 5599 1 1123 . 1 1 131 131 GLU HG2 H 1 2.648 0.0090 . 1 . . . . . . . . 5599 1 1124 . 1 1 131 131 GLU HG3 H 1 2.175 0.0060 . 1 . . . . . . . . 5599 1 1125 . 1 1 132 132 LEU H H 1 7.598 0.0040 . 1 . . . . . . . . 5599 1 1126 . 1 1 132 132 LEU N N 15 121.986 0.045 . 1 . . . . . . . . 5599 1 1127 . 1 1 132 132 LEU CA C 13 58.482 0.087 . 1 . . . . . . . . 5599 1 1128 . 1 1 132 132 LEU HA H 1 3.313 0.0080 . 1 . . . . . . . . 5599 1 1129 . 1 1 132 132 LEU C C 13 180.014 0.0 . 1 . . . . . . . . 5599 1 1130 . 1 1 132 132 LEU CB C 13 41.587 0.496 . 1 . . . . . . . . 5599 1 1131 . 1 1 132 132 LEU HB2 H 1 1.006 0.0050 . 1 . . . . . . . . 5599 1 1132 . 1 1 132 132 LEU HB3 H 1 1.712 0.0060 . 1 . . . . . . . . 5599 1 1133 . 1 1 132 132 LEU CG C 13 27.011 0.166 . 1 . . . . . . . . 5599 1 1134 . 1 1 132 132 LEU CD1 C 13 19.983 0.014 . 1 . . . . . . . . 5599 1 1135 . 1 1 132 132 LEU HD11 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1136 . 1 1 132 132 LEU HD12 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1137 . 1 1 132 132 LEU HD13 H 1 -0.291 0.0030 . 1 . . . . . . . . 5599 1 1138 . 1 1 132 132 LEU CD2 C 13 26.458 0.064 . 1 . . . . . . . . 5599 1 1139 . 1 1 132 132 LEU HD21 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1140 . 1 1 132 132 LEU HD22 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1141 . 1 1 132 132 LEU HD23 H 1 0.646 0.0030 . 1 . . . . . . . . 5599 1 1142 . 1 1 132 132 LEU HG H 1 1.131 0.0060 . 1 . . . . . . . . 5599 1 1143 . 1 1 133 133 ILE H H 1 7.865 0.0080 . 1 . . . . . . . . 5599 1 1144 . 1 1 133 133 ILE N N 15 122.087 0.078 . 1 . . . . . . . . 5599 1 1145 . 1 1 133 133 ILE CA C 13 67.324 0.076 . 1 . . . . . . . . 5599 1 1146 . 1 1 133 133 ILE HA H 1 3.397 0.012 . 1 . . . . . . . . 5599 1 1147 . 1 1 133 133 ILE C C 13 178.137 0.0 . 1 . . . . . . . . 5599 1 1148 . 1 1 133 133 ILE CB C 13 38.733 0.143 . 1 . . . . . . . . 5599 1 1149 . 1 1 133 133 ILE HB H 1 2.017 0.011 . 1 . . . . . . . . 5599 1 1150 . 1 1 133 133 ILE CG2 C 13 18.362 0.34 . 1 . . . . . . . . 5599 1 1151 . 1 1 133 133 ILE HG21 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1152 . 1 1 133 133 ILE HG22 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1153 . 1 1 133 133 ILE HG23 H 1 0.454 0.0070 . 1 . . . . . . . . 5599 1 1154 . 1 1 133 133 ILE CG1 C 13 31.616 0.051 . 1 . . . . . . . . 5599 1 1155 . 1 1 133 133 ILE HG12 H 1 1.811 0.0070 . 1 . . . . . . . . 5599 1 1156 . 1 1 133 133 ILE HG13 H 1 0.711 0.0080 . 1 . . . . . . . . 5599 1 1157 . 1 1 133 133 ILE CD1 C 13 12.182 0.078 . 1 . . . . . . . . 5599 1 1158 . 1 1 133 133 ILE HD11 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1159 . 1 1 133 133 ILE HD12 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1160 . 1 1 133 133 ILE HD13 H 1 0.093 0.0060 . 1 . . . . . . . . 5599 1 1161 . 1 1 134 134 VAL H H 1 8.703 0.0020 . 1 . . . . . . . . 5599 1 1162 . 1 1 134 134 VAL N N 15 120.681 0.021 . 1 . . . . . . . . 5599 1 1163 . 1 1 134 134 VAL CA C 13 68.41 0.085 . 1 . . . . . . . . 5599 1 1164 . 1 1 134 134 VAL HA H 1 3.48 0.018 . 1 . . . . . . . . 5599 1 1165 . 1 1 134 134 VAL C C 13 177.658 0.0 . 1 . . . . . . . . 5599 1 1166 . 1 1 134 134 VAL CB C 13 32.144 0.079 . 1 . . . . . . . . 5599 1 1167 . 1 1 134 134 VAL HB H 1 2.241 0.012 . 1 . . . . . . . . 5599 1 1168 . 1 1 134 134 VAL CG1 C 13 24.409 0.0 . 1 . . . . . . . . 5599 1 1169 . 1 1 134 134 VAL HG11 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1170 . 1 1 134 134 VAL HG12 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1171 . 1 1 134 134 VAL HG13 H 1 1.145 0.011 . 1 . . . . . . . . 5599 1 1172 . 1 1 134 134 VAL CG2 C 13 22.2 0.0 . 1 . . . . . . . . 5599 1 1173 . 1 1 134 134 VAL HG21 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1174 . 1 1 134 134 VAL HG22 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1175 . 1 1 134 134 VAL HG23 H 1 1.054 0.0070 . 1 . . . . . . . . 5599 1 1176 . 1 1 135 135 SER H H 1 7.788 0.0040 . 1 . . . . . . . . 5599 1 1177 . 1 1 135 135 SER N N 15 113.688 0.032 . 1 . . . . . . . . 5599 1 1178 . 1 1 135 135 SER CA C 13 62.06 0.064 . 1 . . . . . . . . 5599 1 1179 . 1 1 135 135 SER HA H 1 4.206 0.0 . 1 . . . . . . . . 5599 1 1180 . 1 1 135 135 SER C C 13 174.943 0.0 . 1 . . . . . . . . 5599 1 1181 . 1 1 135 135 SER CB C 13 63.578 0.137 . 1 . . . . . . . . 5599 1 1182 . 1 1 135 135 SER HB2 H 1 4.089 0.0010 . 1 . . . . . . . . 5599 1 1183 . 1 1 136 136 GLN H H 1 7.42 0.0030 . 1 . . . . . . . . 5599 1 1184 . 1 1 136 136 GLN N N 15 118.181 0.03 . 1 . . . . . . . . 5599 1 1185 . 1 1 136 136 GLN CA C 13 57.983 0.075 . 1 . . . . . . . . 5599 1 1186 . 1 1 136 136 GLN HA H 1 4.346 0.0070 . 1 . . . . . . . . 5599 1 1187 . 1 1 136 136 GLN C C 13 177.353 0.0 . 1 . . . . . . . . 5599 1 1188 . 1 1 136 136 GLN CB C 13 30.238 0.056 . 1 . . . . . . . . 5599 1 1189 . 1 1 136 136 GLN HB2 H 1 2.158 0.0080 . 1 . . . . . . . . 5599 1 1190 . 1 1 136 136 GLN CG C 13 34.4 0.0 . 1 . . . . . . . . 5599 1 1191 . 1 1 136 136 GLN HG2 H 1 2.416 0.0060 . 1 . . . . . . . . 5599 1 1192 . 1 1 137 137 VAL H H 1 7.98 0.0040 . 1 . . . . . . . . 5599 1 1193 . 1 1 137 137 VAL N N 15 117.211 0.035 . 1 . . . . . . . . 5599 1 1194 . 1 1 137 137 VAL CA C 13 64.526 0.059 . 1 . . . . . . . . 5599 1 1195 . 1 1 137 137 VAL HA H 1 4.088 0.014 . 1 . . . . . . . . 5599 1 1196 . 1 1 137 137 VAL C C 13 175.549 0.022 . 1 . . . . . . . . 5599 1 1197 . 1 1 137 137 VAL CB C 13 34.027 0.082 . 1 . . . . . . . . 5599 1 1198 . 1 1 137 137 VAL HB H 1 1.898 0.013 . 1 . . . . . . . . 5599 1 1199 . 1 1 137 137 VAL CG1 C 13 22.83 0.071 . 1 . . . . . . . . 5599 1 1200 . 1 1 137 137 VAL HG11 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1201 . 1 1 137 137 VAL HG12 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1202 . 1 1 137 137 VAL HG13 H 1 1.049 0.012 . 1 . . . . . . . . 5599 1 1203 . 1 1 137 137 VAL CG2 C 13 22.585 0.086 . 1 . . . . . . . . 5599 1 1204 . 1 1 137 137 VAL HG21 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1205 . 1 1 137 137 VAL HG22 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1206 . 1 1 137 137 VAL HG23 H 1 0.832 0.0090 . 1 . . . . . . . . 5599 1 1207 . 1 1 138 138 HIS H H 1 8.577 0.0060 . 1 . . . . . . . . 5599 1 1208 . 1 1 138 138 HIS N N 15 118.963 0.033 . 1 . . . . . . . . 5599 1 1209 . 1 1 138 138 HIS CA C 13 54.563 0.047 . 1 . . . . . . . . 5599 1 1210 . 1 1 138 138 HIS HA H 1 5.205 0.018 . 1 . . . . . . . . 5599 1 1211 . 1 1 138 138 HIS C C 13 172.261 0.0 . 1 . . . . . . . . 5599 1 1212 . 1 1 138 138 HIS CB C 13 31.044 0.064 . 1 . . . . . . . . 5599 1 1213 . 1 1 138 138 HIS HB2 H 1 3.212 0.016 . 1 . . . . . . . . 5599 1 1214 . 1 1 138 138 HIS HB3 H 1 2.943 0.0060 . 1 . . . . . . . . 5599 1 1215 . 1 1 139 139 PRO CA C 13 65.077 0.06 . 1 . . . . . . . . 5599 1 1216 . 1 1 139 139 PRO HA H 1 4.486 0.015 . 1 . . . . . . . . 5599 1 1217 . 1 1 139 139 PRO C C 13 177.457 0.0 . 1 . . . . . . . . 5599 1 1218 . 1 1 139 139 PRO CB C 13 32.488 0.087 . 1 . . . . . . . . 5599 1 1219 . 1 1 139 139 PRO HB2 H 1 2.533 0.015 . 1 . . . . . . . . 5599 1 1220 . 1 1 139 139 PRO CG C 13 27.766 0.168 . 1 . . . . . . . . 5599 1 1221 . 1 1 139 139 PRO HG2 H 1 2.063 0.017 . 1 . . . . . . . . 5599 1 1222 . 1 1 139 139 PRO CD C 13 50.952 0.021 . 1 . . . . . . . . 5599 1 1223 . 1 1 139 139 PRO HD2 H 1 3.349 0.0020 . 1 . . . . . . . . 5599 1 1224 . 1 1 139 139 PRO HD3 H 1 3.709 0.012 . 1 . . . . . . . . 5599 1 1225 . 1 1 140 140 GLU H H 1 9.137 0.0040 . 1 . . . . . . . . 5599 1 1226 . 1 1 140 140 GLU N N 15 120.455 0.037 . 1 . . . . . . . . 5599 1 1227 . 1 1 140 140 GLU CA C 13 57.638 0.064 . 1 . . . . . . . . 5599 1 1228 . 1 1 140 140 GLU HA H 1 4.368 0.0050 . 1 . . . . . . . . 5599 1 1229 . 1 1 140 140 GLU C C 13 176.657 0.0 . 1 . . . . . . . . 5599 1 1230 . 1 1 140 140 GLU CB C 13 29.506 0.032 . 1 . . . . . . . . 5599 1 1231 . 1 1 140 140 GLU HB2 H 1 2.066 0.0060 . 1 . . . . . . . . 5599 1 1232 . 1 1 140 140 GLU HB3 H 1 2.164 0.0060 . 1 . . . . . . . . 5599 1 1233 . 1 1 140 140 GLU CG C 13 36.3 0.0 . 1 . . . . . . . . 5599 1 1234 . 1 1 140 140 GLU HG2 H 1 2.434 0.01 . 1 . . . . . . . . 5599 1 1235 . 1 1 140 140 GLU HG3 H 1 2.392 0.0080 . 1 . . . . . . . . 5599 1 1236 . 1 1 141 141 THR H H 1 7.922 0.0020 . 1 . . . . . . . . 5599 1 1237 . 1 1 141 141 THR N N 15 118.229 0.048 . 1 . . . . . . . . 5599 1 1238 . 1 1 141 141 THR CA C 13 63.717 0.102 . 1 . . . . . . . . 5599 1 1239 . 1 1 141 141 THR HA H 1 4.216 0.0070 . 1 . . . . . . . . 5599 1 1240 . 1 1 141 141 THR C C 13 174.368 0.0 . 1 . . . . . . . . 5599 1 1241 . 1 1 141 141 THR CB C 13 70.131 0.108 . 1 . . . . . . . . 5599 1 1242 . 1 1 141 141 THR HB H 1 4.156 0.013 . 1 . . . . . . . . 5599 1 1243 . 1 1 141 141 THR CG2 C 13 22.242 0.0 . 1 . . . . . . . . 5599 1 1244 . 1 1 141 141 THR HG21 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1245 . 1 1 141 141 THR HG22 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1246 . 1 1 141 141 THR HG23 H 1 1.254 0.0090 . 1 . . . . . . . . 5599 1 1247 . 1 1 142 142 LYS H H 1 8.307 0.0040 . 1 . . . . . . . . 5599 1 1248 . 1 1 142 142 LYS N N 15 126.442 0.067 . 1 . . . . . . . . 5599 1 1249 . 1 1 142 142 LYS CA C 13 56.512 0.122 . 1 . . . . . . . . 5599 1 1250 . 1 1 142 142 LYS HA H 1 4.435 0.014 . 1 . . . . . . . . 5599 1 1251 . 1 1 142 142 LYS C C 13 176.41 0.0 . 1 . . . . . . . . 5599 1 1252 . 1 1 142 142 LYS CB C 13 33.636 0.082 . 1 . . . . . . . . 5599 1 1253 . 1 1 142 142 LYS HB2 H 1 1.913 0.01 . 1 . . . . . . . . 5599 1 1254 . 1 1 142 142 LYS HB3 H 1 1.815 0.011 . 1 . . . . . . . . 5599 1 1255 . 1 1 142 142 LYS CG C 13 25.056 0.058 . 1 . . . . . . . . 5599 1 1256 . 1 1 142 142 LYS HG2 H 1 1.498 0.013 . 1 . . . . . . . . 5599 1 1257 . 1 1 142 142 LYS CD C 13 29.3 0.0 . 1 . . . . . . . . 5599 1 1258 . 1 1 142 142 LYS HD2 H 1 1.729 0.016 . 1 . . . . . . . . 5599 1 1259 . 1 1 142 142 LYS CE C 13 42.469 0.098 . 1 . . . . . . . . 5599 1 1260 . 1 1 142 142 LYS HE2 H 1 3.047 0.01 . 1 . . . . . . . . 5599 1 1261 . 1 1 143 143 GLU H H 1 8.387 0.0060 . 1 . . . . . . . . 5599 1 1262 . 1 1 143 143 GLU N N 15 122.59 0.024 . 1 . . . . . . . . 5599 1 1263 . 1 1 143 143 GLU CA C 13 57.282 0.074 . 1 . . . . . . . . 5599 1 1264 . 1 1 143 143 GLU HA H 1 4.321 0.0040 . 1 . . . . . . . . 5599 1 1265 . 1 1 143 143 GLU C C 13 176.201 0.0 . 1 . . . . . . . . 5599 1 1266 . 1 1 143 143 GLU CB C 13 30.808 0.033 . 1 . . . . . . . . 5599 1 1267 . 1 1 143 143 GLU HB2 H 1 2.095 0.042 . 1 . . . . . . . . 5599 1 1268 . 1 1 143 143 GLU HB3 H 1 1.994 0.0040 . 1 . . . . . . . . 5599 1 1269 . 1 1 143 143 GLU CG C 13 36.784 0.036 . 1 . . . . . . . . 5599 1 1270 . 1 1 143 143 GLU HG2 H 1 2.313 0.015 . 1 . . . . . . . . 5599 1 1271 . 1 1 144 144 ASN H H 1 8.369 0.0040 . 1 . . . . . . . . 5599 1 1272 . 1 1 144 144 ASN N N 15 120.505 0.025 . 1 . . . . . . . . 5599 1 1273 . 1 1 144 144 ASN CA C 13 53.772 0.082 . 1 . . . . . . . . 5599 1 1274 . 1 1 144 144 ASN HA H 1 4.739 0.015 . 1 . . . . . . . . 5599 1 1275 . 1 1 144 144 ASN C C 13 175.021 0.0 . 1 . . . . . . . . 5599 1 1276 . 1 1 144 144 ASN CB C 13 39.292 0.113 . 1 . . . . . . . . 5599 1 1277 . 1 1 144 144 ASN HB2 H 1 2.87 0.0080 . 1 . . . . . . . . 5599 1 1278 . 1 1 144 144 ASN HB3 H 1 2.807 0.011 . 1 . . . . . . . . 5599 1 1279 . 1 1 145 145 GLU H H 1 8.332 0.0030 . 1 . . . . . . . . 5599 1 1280 . 1 1 145 145 GLU N N 15 122.918 0.019 . 1 . . . . . . . . 5599 1 1281 . 1 1 145 145 GLU CA C 13 57.249 0.164 . 1 . . . . . . . . 5599 1 1282 . 1 1 145 145 GLU HA H 1 4.382 0.011 . 1 . . . . . . . . 5599 1 1283 . 1 1 145 145 GLU C C 13 176.191 0.0 . 1 . . . . . . . . 5599 1 1284 . 1 1 145 145 GLU CB C 13 31.077 0.169 . 1 . . . . . . . . 5599 1 1285 . 1 1 145 145 GLU HB2 H 1 2.128 0.014 . 1 . . . . . . . . 5599 1 1286 . 1 1 145 145 GLU HB3 H 1 1.957 0.018 . 1 . . . . . . . . 5599 1 1287 . 1 1 145 145 GLU CG C 13 36.8 0.0 . 1 . . . . . . . . 5599 1 1288 . 1 1 145 145 GLU HG2 H 1 2.376 0.0040 . 1 . . . . . . . . 5599 1 1289 . 1 1 145 145 GLU HG3 H 1 2.275 0.0050 . 1 . . . . . . . . 5599 1 1290 . 1 1 146 146 ILE H H 1 8.021 0.0030 . 1 . . . . . . . . 5599 1 1291 . 1 1 146 146 ILE N N 15 122.692 0.023 . 1 . . . . . . . . 5599 1 1292 . 1 1 146 146 ILE CA C 13 61.433 0.08 . 1 . . . . . . . . 5599 1 1293 . 1 1 146 146 ILE HA H 1 4.161 0.016 . 1 . . . . . . . . 5599 1 1294 . 1 1 146 146 ILE C C 13 174.933 0.0050 . 1 . . . . . . . . 5599 1 1295 . 1 1 146 146 ILE CB C 13 39.298 0.079 . 1 . . . . . . . . 5599 1 1296 . 1 1 146 146 ILE HB H 1 1.845 0.011 . 1 . . . . . . . . 5599 1 1297 . 1 1 146 146 ILE CG2 C 13 17.981 0.04 . 1 . . . . . . . . 5599 1 1298 . 1 1 146 146 ILE HG21 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1299 . 1 1 146 146 ILE HG22 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1300 . 1 1 146 146 ILE HG23 H 1 1.176 0.01 . 1 . . . . . . . . 5599 1 1301 . 1 1 146 146 ILE CG1 C 13 27.561 0.051 . 1 . . . . . . . . 5599 1 1302 . 1 1 146 146 ILE HG12 H 1 1.441 0.011 . 1 . . . . . . . . 5599 1 1303 . 1 1 146 146 ILE HG13 H 1 0.847 0.0060 . 1 . . . . . . . . 5599 1 1304 . 1 1 146 146 ILE CD1 C 13 13.208 0.05 . 1 . . . . . . . . 5599 1 1305 . 1 1 146 146 ILE HD11 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1306 . 1 1 146 146 ILE HD12 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1307 . 1 1 146 146 ILE HD13 H 1 0.846 0.0070 . 1 . . . . . . . . 5599 1 1308 . 1 1 147 147 TYR H H 1 7.379 0.0040 . 1 . . . . . . . . 5599 1 1309 . 1 1 147 147 TYR N N 15 123.706 0.03 . 1 . . . . . . . . 5599 1 1310 . 1 1 147 147 TYR CA C 13 55.243 0.0010 . 1 . . . . . . . . 5599 1 1311 . 1 1 147 147 TYR HA H 1 4.997 0.025 . 1 . . . . . . . . 5599 1 1312 . 1 1 147 147 TYR C C 13 172.838 0.0 . 1 . . . . . . . . 5599 1 1313 . 1 1 147 147 TYR CB C 13 38.627 0.12 . 1 . . . . . . . . 5599 1 1314 . 1 1 147 147 TYR HB2 H 1 3.147 0.014 . 1 . . . . . . . . 5599 1 1315 . 1 1 148 148 PRO CA C 13 62.963 0.107 . 1 . . . . . . . . 5599 1 1316 . 1 1 148 148 PRO HA H 1 4.615 0.0090 . 1 . . . . . . . . 5599 1 1317 . 1 1 148 148 PRO C C 13 177.675 0.0 . 1 . . . . . . . . 5599 1 1318 . 1 1 148 148 PRO CB C 13 31.91 0.101 . 1 . . . . . . . . 5599 1 1319 . 1 1 148 148 PRO HB2 H 1 2.406 0.0090 . 1 . . . . . . . . 5599 1 1320 . 1 1 148 148 PRO HB3 H 1 2.046 0.0060 . 1 . . . . . . . . 5599 1 1321 . 1 1 148 148 PRO CG C 13 28.497 0.055 . 1 . . . . . . . . 5599 1 1322 . 1 1 148 148 PRO HG2 H 1 2.171 0.0070 . 1 . . . . . . . . 5599 1 1323 . 1 1 148 148 PRO CD C 13 51.196 0.092 . 1 . . . . . . . . 5599 1 1324 . 1 1 148 148 PRO HD2 H 1 4.072 0.0090 . 1 . . . . . . . . 5599 1 1325 . 1 1 148 148 PRO HD3 H 1 3.642 0.01 . 1 . . . . . . . . 5599 1 1326 . 1 1 149 149 VAL H H 1 8.875 0.0040 . 1 . . . . . . . . 5599 1 1327 . 1 1 149 149 VAL N N 15 129.582 0.045 . 1 . . . . . . . . 5599 1 1328 . 1 1 149 149 VAL CA C 13 60.499 0.044 . 1 . . . . . . . . 5599 1 1329 . 1 1 149 149 VAL HA H 1 4.383 0.0 . 1 . . . . . . . . 5599 1 1330 . 1 1 149 149 VAL C C 13 178.047 0.0 . 1 . . . . . . . . 5599 1 1331 . 1 1 149 149 VAL CB C 13 30.014 0.0 . 1 . . . . . . . . 5599 1 1332 . 1 1 151 151 SER C C 13 177.37 0.0 . 1 . . . . . . . . 5599 1 1333 . 1 1 152 152 GLY H H 1 7.886 0.0050 . 1 . . . . . . . . 5599 1 1334 . 1 1 152 152 GLY N N 15 116.451 0.049 . 1 . . . . . . . . 5599 1 1335 . 1 1 152 152 GLY CA C 13 46.597 0.047 . 1 . . . . . . . . 5599 1 1336 . 1 1 152 152 GLY C C 13 174.651 0.0 . 1 . . . . . . . . 5599 1 1337 . 1 1 153 153 LEU H H 1 7.651 0.0050 . 1 . . . . . . . . 5599 1 1338 . 1 1 153 153 LEU N N 15 119.109 0.078 . 1 . . . . . . . . 5599 1 1339 . 1 1 153 153 LEU CA C 13 57.867 0.049 . 1 . . . . . . . . 5599 1 1340 . 1 1 153 153 LEU C C 13 175.985 0.0 . 1 . . . . . . . . 5599 1 1341 . 1 1 153 153 LEU CB C 13 39.01 0.0 . 1 . . . . . . . . 5599 1 1342 . 1 1 156 156 LEU CA C 13 56.983 0.0080 . 1 . . . . . . . . 5599 1 1343 . 1 1 156 156 LEU C C 13 177.897 0.0 . 1 . . . . . . . . 5599 1 1344 . 1 1 157 157 GLN H H 1 7.238 0.015 . 1 . . . . . . . . 5599 1 1345 . 1 1 157 157 GLN N N 15 115.104 0.0060 . 1 . . . . . . . . 5599 1 1346 . 1 1 157 157 GLN CA C 13 55.704 0.064 . 1 . . . . . . . . 5599 1 1347 . 1 1 157 157 GLN HA H 1 4.334 0.0010 . 1 . . . . . . . . 5599 1 1348 . 1 1 157 157 GLN C C 13 176.019 0.0 . 1 . . . . . . . . 5599 1 1349 . 1 1 157 157 GLN HB2 H 1 2.255 0.0 . 1 . . . . . . . . 5599 1 1350 . 1 1 157 157 GLN HB3 H 1 2.218 0.0 . 1 . . . . . . . . 5599 1 1351 . 1 1 157 157 GLN HG2 H 1 2.411 0.0 . 1 . . . . . . . . 5599 1 1352 . 1 1 158 158 MET H H 1 6.96 0.0070 . 1 . . . . . . . . 5599 1 1353 . 1 1 158 158 MET N N 15 120.517 0.053 . 1 . . . . . . . . 5599 1 1354 . 1 1 158 158 MET CA C 13 56.649 0.093 . 1 . . . . . . . . 5599 1 1355 . 1 1 158 158 MET HA H 1 4.346 0.017 . 1 . . . . . . . . 5599 1 1356 . 1 1 158 158 MET C C 13 175.688 0.0 . 1 . . . . . . . . 5599 1 1357 . 1 1 158 158 MET CB C 13 33.868 0.086 . 1 . . . . . . . . 5599 1 1358 . 1 1 158 158 MET HB2 H 1 2.188 0.01 . 1 . . . . . . . . 5599 1 1359 . 1 1 158 158 MET HB3 H 1 2.042 0.013 . 1 . . . . . . . . 5599 1 1360 . 1 1 158 158 MET CG C 13 32.9 0.0 . 1 . . . . . . . . 5599 1 1361 . 1 1 158 158 MET HG2 H 1 2.851 0.01 . 1 . . . . . . . . 5599 1 1362 . 1 1 158 158 MET HG3 H 1 2.788 0.012 . 1 . . . . . . . . 5599 1 1363 . 1 1 159 159 ALA H H 1 8.294 0.0060 . 1 . . . . . . . . 5599 1 1364 . 1 1 159 159 ALA N N 15 124.553 0.077 . 1 . . . . . . . . 5599 1 1365 . 1 1 159 159 ALA CA C 13 54.409 0.081 . 1 . . . . . . . . 5599 1 1366 . 1 1 159 159 ALA HA H 1 4.209 0.013 . 1 . . . . . . . . 5599 1 1367 . 1 1 159 159 ALA C C 13 178.393 0.0 . 1 . . . . . . . . 5599 1 1368 . 1 1 159 159 ALA CB C 13 19.534 0.166 . 1 . . . . . . . . 5599 1 1369 . 1 1 159 159 ALA HB1 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1370 . 1 1 159 159 ALA HB2 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1371 . 1 1 159 159 ALA HB3 H 1 1.515 0.0050 . 1 . . . . . . . . 5599 1 1372 . 1 1 160 160 ASP H H 1 7.826 0.0020 . 1 . . . . . . . . 5599 1 1373 . 1 1 160 160 ASP N N 15 118.458 0.022 . 1 . . . . . . . . 5599 1 1374 . 1 1 160 160 ASP CA C 13 54.487 0.087 . 1 . . . . . . . . 5599 1 1375 . 1 1 160 160 ASP HA H 1 4.658 0.0060 . 1 . . . . . . . . 5599 1 1376 . 1 1 160 160 ASP C C 13 175.649 0.0 . 1 . . . . . . . . 5599 1 1377 . 1 1 160 160 ASP CB C 13 42.836 0.09 . 1 . . . . . . . . 5599 1 1378 . 1 1 160 160 ASP HB2 H 1 2.853 0.01 . 1 . . . . . . . . 5599 1 1379 . 1 1 160 160 ASP HB3 H 1 2.686 0.0080 . 1 . . . . . . . . 5599 1 1380 . 1 1 161 161 GLU H H 1 8.751 0.0080 . 1 . . . . . . . . 5599 1 1381 . 1 1 161 161 GLU N N 15 128.136 0.012 . 1 . . . . . . . . 5599 1 1382 . 1 1 161 161 GLU CA C 13 61.105 0.06 . 1 . . . . . . . . 5599 1 1383 . 1 1 161 161 GLU C C 13 177.685 0.0 . 1 . . . . . . . . 5599 1 1384 . 1 1 161 161 GLU CB C 13 32.529 1.493 . 1 . . . . . . . . 5599 1 1385 . 1 1 162 162 GLU H H 1 8.569 0.0040 . 1 . . . . . . . . 5599 1 1386 . 1 1 162 162 GLU N N 15 119.219 0.023 . 1 . . . . . . . . 5599 1 1387 . 1 1 162 162 GLU CA C 13 60.849 0.131 . 1 . . . . . . . . 5599 1 1388 . 1 1 162 162 GLU HA H 1 3.824 0.011 . 1 . . . . . . . . 5599 1 1389 . 1 1 162 162 GLU C C 13 179.513 0.012 . 1 . . . . . . . . 5599 1 1390 . 1 1 162 162 GLU CB C 13 29.784 0.075 . 1 . . . . . . . . 5599 1 1391 . 1 1 162 162 GLU HB2 H 1 1.954 0.011 . 1 . . . . . . . . 5599 1 1392 . 1 1 162 162 GLU CG C 13 37.0 0.0 . 1 . . . . . . . . 5599 1 1393 . 1 1 162 162 GLU HG2 H 1 2.11 0.01 . 1 . . . . . . . . 5599 1 1394 . 1 1 162 162 GLU HG3 H 1 2.265 0.013 . 1 . . . . . . . . 5599 1 1395 . 1 1 163 163 SER H H 1 8.015 0.0040 . 1 . . . . . . . . 5599 1 1396 . 1 1 163 163 SER N N 15 117.133 0.072 . 1 . . . . . . . . 5599 1 1397 . 1 1 163 163 SER CA C 13 62.618 0.192 . 1 . . . . . . . . 5599 1 1398 . 1 1 163 163 SER HA H 1 4.245 0.0040 . 1 . . . . . . . . 5599 1 1399 . 1 1 163 163 SER C C 13 176.982 0.0 . 1 . . . . . . . . 5599 1 1400 . 1 1 163 163 SER CB C 13 62.318 1.792 . 1 . . . . . . . . 5599 1 1401 . 1 1 163 163 SER HB2 H 1 4.068 0.0070 . 1 . . . . . . . . 5599 1 1402 . 1 1 164 164 ARG H H 1 8.332 0.0030 . 1 . . . . . . . . 5599 1 1403 . 1 1 164 164 ARG N N 15 125.556 0.012 . 1 . . . . . . . . 5599 1 1404 . 1 1 164 164 ARG CA C 13 60.409 0.082 . 1 . . . . . . . . 5599 1 1405 . 1 1 164 164 ARG HA H 1 4.328 0.0030 . 1 . . . . . . . . 5599 1 1406 . 1 1 164 164 ARG C C 13 178.528 0.0 . 1 . . . . . . . . 5599 1 1407 . 1 1 164 164 ARG CB C 13 31.267 0.044 . 1 . . . . . . . . 5599 1 1408 . 1 1 164 164 ARG HB2 H 1 2.126 0.0070 . 1 . . . . . . . . 5599 1 1409 . 1 1 164 164 ARG HB3 H 1 1.96 0.0090 . 1 . . . . . . . . 5599 1 1410 . 1 1 164 164 ARG CG C 13 28.862 0.059 . 1 . . . . . . . . 5599 1 1411 . 1 1 164 164 ARG HG2 H 1 1.608 0.0030 . 1 . . . . . . . . 5599 1 1412 . 1 1 164 164 ARG CD C 13 44.342 0.075 . 1 . . . . . . . . 5599 1 1413 . 1 1 164 164 ARG HD2 H 1 3.541 0.026 . 1 . . . . . . . . 5599 1 1414 . 1 1 164 164 ARG HD3 H 1 3.49 0.01 . 1 . . . . . . . . 5599 1 1415 . 1 1 165 165 LEU H H 1 8.817 0.0070 . 1 . . . . . . . . 5599 1 1416 . 1 1 165 165 LEU N N 15 118.904 0.0090 . 1 . . . . . . . . 5599 1 1417 . 1 1 165 165 LEU CA C 13 59.08 0.082 . 1 . . . . . . . . 5599 1 1418 . 1 1 165 165 LEU HA H 1 4.348 0.034 . 1 . . . . . . . . 5599 1 1419 . 1 1 165 165 LEU C C 13 179.926 0.0 . 1 . . . . . . . . 5599 1 1420 . 1 1 165 165 LEU CB C 13 42.182 0.125 . 1 . . . . . . . . 5599 1 1421 . 1 1 165 165 LEU HB2 H 1 2.161 0.0090 . 1 . . . . . . . . 5599 1 1422 . 1 1 165 165 LEU HB3 H 1 1.47 0.0050 . 1 . . . . . . . . 5599 1 1423 . 1 1 165 165 LEU CG C 13 27.556 0.069 . 1 . . . . . . . . 5599 1 1424 . 1 1 165 165 LEU CD1 C 13 26.59 0.178 . 1 . . . . . . . . 5599 1 1425 . 1 1 165 165 LEU HD11 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1426 . 1 1 165 165 LEU HD12 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1427 . 1 1 165 165 LEU HD13 H 1 1.024 0.014 . 1 . . . . . . . . 5599 1 1428 . 1 1 165 165 LEU CD2 C 13 22.764 0.065 . 1 . . . . . . . . 5599 1 1429 . 1 1 165 165 LEU HD21 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1430 . 1 1 165 165 LEU HD22 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1431 . 1 1 165 165 LEU HD23 H 1 0.755 0.016 . 1 . . . . . . . . 5599 1 1432 . 1 1 165 165 LEU HG H 1 2.048 0.018 . 1 . . . . . . . . 5599 1 1433 . 1 1 166 166 SER H H 1 7.998 0.0060 . 1 . . . . . . . . 5599 1 1434 . 1 1 166 166 SER N N 15 115.023 0.099 . 1 . . . . . . . . 5599 1 1435 . 1 1 166 166 SER CA C 13 62.45 0.102 . 1 . . . . . . . . 5599 1 1436 . 1 1 166 166 SER HA H 1 4.156 0.012 . 1 . . . . . . . . 5599 1 1437 . 1 1 166 166 SER C C 13 176.226 0.0 . 1 . . . . . . . . 5599 1 1438 . 1 1 166 166 SER CB C 13 63.489 0.049 . 1 . . . . . . . . 5599 1 1439 . 1 1 166 166 SER HB2 H 1 4.038 0.0020 . 1 . . . . . . . . 5599 1 1440 . 1 1 167 167 ALA H H 1 7.845 0.0040 . 1 . . . . . . . . 5599 1 1441 . 1 1 167 167 ALA N N 15 126.235 0.016 . 1 . . . . . . . . 5599 1 1442 . 1 1 167 167 ALA CA C 13 55.957 0.083 . 1 . . . . . . . . 5599 1 1443 . 1 1 167 167 ALA HA H 1 4.371 0.011 . 1 . . . . . . . . 5599 1 1444 . 1 1 167 167 ALA C C 13 181.847 0.0 . 1 . . . . . . . . 5599 1 1445 . 1 1 167 167 ALA CB C 13 19.04 0.118 . 1 . . . . . . . . 5599 1 1446 . 1 1 167 167 ALA HB1 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1447 . 1 1 167 167 ALA HB2 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1448 . 1 1 167 167 ALA HB3 H 1 1.601 0.0090 . 1 . . . . . . . . 5599 1 1449 . 1 1 168 168 TYR H H 1 8.468 0.0030 . 1 . . . . . . . . 5599 1 1450 . 1 1 168 168 TYR N N 15 120.995 0.015 . 1 . . . . . . . . 5599 1 1451 . 1 1 168 168 TYR CA C 13 63.669 0.084 . 1 . . . . . . . . 5599 1 1452 . 1 1 168 168 TYR HA H 1 3.933 0.012 . 1 . . . . . . . . 5599 1 1453 . 1 1 168 168 TYR C C 13 177.225 0.0 . 1 . . . . . . . . 5599 1 1454 . 1 1 168 168 TYR CB C 13 40.477 0.093 . 1 . . . . . . . . 5599 1 1455 . 1 1 168 168 TYR HB2 H 1 3.115 0.014 . 1 . . . . . . . . 5599 1 1456 . 1 1 168 168 TYR HB3 H 1 2.343 0.014 . 1 . . . . . . . . 5599 1 1457 . 1 1 169 169 TYR H H 1 8.718 0.0050 . 1 . . . . . . . . 5599 1 1458 . 1 1 169 169 TYR N N 15 121.218 0.048 . 1 . . . . . . . . 5599 1 1459 . 1 1 169 169 TYR CA C 13 63.299 0.109 . 1 . . . . . . . . 5599 1 1460 . 1 1 169 169 TYR HA H 1 3.819 0.0050 . 1 . . . . . . . . 5599 1 1461 . 1 1 169 169 TYR C C 13 177.312 0.0 . 1 . . . . . . . . 5599 1 1462 . 1 1 169 169 TYR CB C 13 39.672 0.138 . 1 . . . . . . . . 5599 1 1463 . 1 1 169 169 TYR HB2 H 1 3.511 0.013 . 1 . . . . . . . . 5599 1 1464 . 1 1 169 169 TYR HB3 H 1 3.304 0.0050 . 1 . . . . . . . . 5599 1 1465 . 1 1 170 170 ASN H H 1 8.489 0.0050 . 1 . . . . . . . . 5599 1 1466 . 1 1 170 170 ASN N N 15 117.092 0.024 . 1 . . . . . . . . 5599 1 1467 . 1 1 170 170 ASN CA C 13 57.539 0.114 . 1 . . . . . . . . 5599 1 1468 . 1 1 170 170 ASN HA H 1 4.583 0.0080 . 1 . . . . . . . . 5599 1 1469 . 1 1 170 170 ASN C C 13 177.299 0.0 . 1 . . . . . . . . 5599 1 1470 . 1 1 170 170 ASN CB C 13 39.729 0.079 . 1 . . . . . . . . 5599 1 1471 . 1 1 170 170 ASN HB2 H 1 3.105 0.0070 . 1 . . . . . . . . 5599 1 1472 . 1 1 170 170 ASN HB3 H 1 2.918 0.0070 . 1 . . . . . . . . 5599 1 1473 . 1 1 171 171 LEU H H 1 8.039 0.0040 . 1 . . . . . . . . 5599 1 1474 . 1 1 171 171 LEU N N 15 122.801 0.0020 . 1 . . . . . . . . 5599 1 1475 . 1 1 171 171 LEU CA C 13 59.685 0.02 . 1 . . . . . . . . 5599 1 1476 . 1 1 171 171 LEU HA H 1 4.402 0.0070 . 1 . . . . . . . . 5599 1 1477 . 1 1 171 171 LEU C C 13 178.853 0.0 . 1 . . . . . . . . 5599 1 1478 . 1 1 171 171 LEU CB C 13 43.347 0.058 . 1 . . . . . . . . 5599 1 1479 . 1 1 171 171 LEU HB2 H 1 1.901 0.0080 . 1 . . . . . . . . 5599 1 1480 . 1 1 171 171 LEU CG C 13 28.125 0.0 . 1 . . . . . . . . 5599 1 1481 . 1 1 171 171 LEU CD1 C 13 26.8 0.0 . 1 . . . . . . . . 5599 1 1482 . 1 1 171 171 LEU HD11 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1483 . 1 1 171 171 LEU HD12 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1484 . 1 1 171 171 LEU HD13 H 1 0.935 0.011 . 1 . . . . . . . . 5599 1 1485 . 1 1 171 171 LEU CD2 C 13 26.358 0.0 . 1 . . . . . . . . 5599 1 1486 . 1 1 171 171 LEU HD21 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1487 . 1 1 171 171 LEU HD22 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1488 . 1 1 171 171 LEU HD23 H 1 1.024 0.015 . 1 . . . . . . . . 5599 1 1489 . 1 1 171 171 LEU HG H 1 1.872 0.0 . 1 . . . . . . . . 5599 1 1490 . 1 1 172 172 LEU H H 1 8.51 0.01 . 1 . . . . . . . . 5599 1 1491 . 1 1 172 172 LEU N N 15 118.945 0.05 . 1 . . . . . . . . 5599 1 1492 . 1 1 172 172 LEU CA C 13 58.454 0.02 . 1 . . . . . . . . 5599 1 1493 . 1 1 172 172 LEU HA H 1 4.123 0.0020 . 1 . . . . . . . . 5599 1 1494 . 1 1 172 172 LEU C C 13 180.046 0.0 . 1 . . . . . . . . 5599 1 1495 . 1 1 172 172 LEU CB C 13 42.046 0.099 . 1 . . . . . . . . 5599 1 1496 . 1 1 172 172 LEU HB2 H 1 1.809 0.0090 . 1 . . . . . . . . 5599 1 1497 . 1 1 172 172 LEU HB3 H 1 1.589 0.0090 . 1 . . . . . . . . 5599 1 1498 . 1 1 172 172 LEU CG C 13 27.164 0.078 . 1 . . . . . . . . 5599 1 1499 . 1 1 172 172 LEU CD1 C 13 21.793 0.03 . 1 . . . . . . . . 5599 1 1500 . 1 1 172 172 LEU HD11 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1501 . 1 1 172 172 LEU HD12 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1502 . 1 1 172 172 LEU HD13 H 1 0.328 0.0060 . 1 . . . . . . . . 5599 1 1503 . 1 1 172 172 LEU CD2 C 13 24.94 0.068 . 1 . . . . . . . . 5599 1 1504 . 1 1 172 172 LEU HD21 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1505 . 1 1 172 172 LEU HD22 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1506 . 1 1 172 172 LEU HD23 H 1 0.801 0.012 . 1 . . . . . . . . 5599 1 1507 . 1 1 172 172 LEU HG H 1 1.761 0.016 . 1 . . . . . . . . 5599 1 1508 . 1 1 173 173 HIS H H 1 8.943 0.0060 . 1 . . . . . . . . 5599 1 1509 . 1 1 173 173 HIS N N 15 124.309 0.016 . 1 . . . . . . . . 5599 1 1510 . 1 1 173 173 HIS CA C 13 61.085 0.08 . 1 . . . . . . . . 5599 1 1511 . 1 1 173 173 HIS HA H 1 3.568 0.011 . 1 . . . . . . . . 5599 1 1512 . 1 1 173 173 HIS C C 13 178.639 0.0 . 1 . . . . . . . . 5599 1 1513 . 1 1 173 173 HIS CB C 13 30.954 0.076 . 1 . . . . . . . . 5599 1 1514 . 1 1 173 173 HIS HB2 H 1 3.353 0.03 . 1 . . . . . . . . 5599 1 1515 . 1 1 173 173 HIS HB3 H 1 2.945 0.017 . 1 . . . . . . . . 5599 1 1516 . 1 1 174 174 CYS H H 1 8.599 0.0020 . 1 . . . . . . . . 5599 1 1517 . 1 1 174 174 CYS N N 15 120.977 0.025 . 1 . . . . . . . . 5599 1 1518 . 1 1 174 174 CYS CA C 13 59.842 0.098 . 1 . . . . . . . . 5599 1 1519 . 1 1 174 174 CYS HA H 1 4.311 0.0050 . 1 . . . . . . . . 5599 1 1520 . 1 1 174 174 CYS C C 13 175.883 0.0 . 1 . . . . . . . . 5599 1 1521 . 1 1 174 174 CYS CB C 13 39.814 0.17 . 1 . . . . . . . . 5599 1 1522 . 1 1 174 174 CYS HB2 H 1 3.725 0.015 . 1 . . . . . . . . 5599 1 1523 . 1 1 174 174 CYS HB3 H 1 3.476 0.0080 . 1 . . . . . . . . 5599 1 1524 . 1 1 175 175 LEU H H 1 8.634 0.01 . 1 . . . . . . . . 5599 1 1525 . 1 1 175 175 LEU N N 15 124.88 0.011 . 1 . . . . . . . . 5599 1 1526 . 1 1 175 175 LEU CA C 13 58.411 0.016 . 1 . . . . . . . . 5599 1 1527 . 1 1 175 175 LEU C C 13 179.119 0.0 . 1 . . . . . . . . 5599 1 1528 . 1 1 175 175 LEU CB C 13 40.852 0.06 . 1 . . . . . . . . 5599 1 1529 . 1 1 176 176 ARG H H 1 7.834 0.0050 . 1 . . . . . . . . 5599 1 1530 . 1 1 176 176 ARG N N 15 123.217 0.026 . 1 . . . . . . . . 5599 1 1531 . 1 1 176 176 ARG CA C 13 60.315 0.028 . 1 . . . . . . . . 5599 1 1532 . 1 1 176 176 ARG C C 13 177.548 0.0 . 1 . . . . . . . . 5599 1 1533 . 1 1 177 177 ARG H H 1 7.805 0.0090 . 1 . . . . . . . . 5599 1 1534 . 1 1 177 177 ARG N N 15 120.484 0.037 . 1 . . . . . . . . 5599 1 1535 . 1 1 177 177 ARG CA C 13 59.674 0.065 . 1 . . . . . . . . 5599 1 1536 . 1 1 177 177 ARG HA H 1 4.025 0.0010 . 1 . . . . . . . . 5599 1 1537 . 1 1 177 177 ARG C C 13 179.601 0.0 . 1 . . . . . . . . 5599 1 1538 . 1 1 177 177 ARG CB C 13 30.962 0.013 . 1 . . . . . . . . 5599 1 1539 . 1 1 177 177 ARG HB2 H 1 1.838 0.0 . 1 . . . . . . . . 5599 1 1540 . 1 1 177 177 ARG CG C 13 27.235 0.022 . 1 . . . . . . . . 5599 1 1541 . 1 1 177 177 ARG HG2 H 1 1.455 0.0090 . 1 . . . . . . . . 5599 1 1542 . 1 1 177 177 ARG CD C 13 44.0 0.0 . 1 . . . . . . . . 5599 1 1543 . 1 1 177 177 ARG HD2 H 1 3.325 0.01 . 1 . . . . . . . . 5599 1 1544 . 1 1 178 178 ASP H H 1 8.95 0.0060 . 1 . . . . . . . . 5599 1 1545 . 1 1 178 178 ASP N N 15 122.86 0.073 . 1 . . . . . . . . 5599 1 1546 . 1 1 178 178 ASP CA C 13 58.145 0.093 . 1 . . . . . . . . 5599 1 1547 . 1 1 178 178 ASP HA H 1 4.57 0.011 . 1 . . . . . . . . 5599 1 1548 . 1 1 178 178 ASP C C 13 178.592 0.0 . 1 . . . . . . . . 5599 1 1549 . 1 1 178 178 ASP CB C 13 39.319 0.088 . 1 . . . . . . . . 5599 1 1550 . 1 1 178 178 ASP HB2 H 1 2.96 0.0060 . 1 . . . . . . . . 5599 1 1551 . 1 1 179 179 SER H H 1 8.59 0.0040 . 1 . . . . . . . . 5599 1 1552 . 1 1 179 179 SER N N 15 116.899 0.0010 . 1 . . . . . . . . 5599 1 1553 . 1 1 179 179 SER CA C 13 62.837 0.144 . 1 . . . . . . . . 5599 1 1554 . 1 1 179 179 SER HA H 1 3.977 0.013 . 1 . . . . . . . . 5599 1 1555 . 1 1 179 179 SER C C 13 177.408 0.0 . 1 . . . . . . . . 5599 1 1556 . 1 1 179 179 SER CB C 13 62.7 0.0 . 1 . . . . . . . . 5599 1 1557 . 1 1 179 179 SER HB2 H 1 3.697 0.0060 . 1 . . . . . . . . 5599 1 1558 . 1 1 180 180 HIS H H 1 7.7 0.0040 . 1 . . . . . . . . 5599 1 1559 . 1 1 180 180 HIS N N 15 126.442 0.0090 . 1 . . . . . . . . 5599 1 1560 . 1 1 180 180 HIS CA C 13 59.56 0.075 . 1 . . . . . . . . 5599 1 1561 . 1 1 180 180 HIS HA H 1 3.517 0.015 . 1 . . . . . . . . 5599 1 1562 . 1 1 180 180 HIS C C 13 176.87 0.0 . 1 . . . . . . . . 5599 1 1563 . 1 1 180 180 HIS CB C 13 30.663 0.09 . 1 . . . . . . . . 5599 1 1564 . 1 1 180 180 HIS HB2 H 1 2.959 0.0040 . 1 . . . . . . . . 5599 1 1565 . 1 1 180 180 HIS HB3 H 1 3.318 0.016 . 1 . . . . . . . . 5599 1 1566 . 1 1 181 181 LYS H H 1 7.658 0.0060 . 1 . . . . . . . . 5599 1 1567 . 1 1 181 181 LYS N N 15 119.729 0.016 . 1 . . . . . . . . 5599 1 1568 . 1 1 181 181 LYS CA C 13 60.411 0.079 . 1 . . . . . . . . 5599 1 1569 . 1 1 181 181 LYS HA H 1 3.47 0.014 . 1 . . . . . . . . 5599 1 1570 . 1 1 181 181 LYS C C 13 177.039 0.0 . 1 . . . . . . . . 5599 1 1571 . 1 1 181 181 LYS CB C 13 32.577 0.136 . 1 . . . . . . . . 5599 1 1572 . 1 1 181 181 LYS HB2 H 1 1.448 0.0090 . 1 . . . . . . . . 5599 1 1573 . 1 1 181 181 LYS HB3 H 1 1.905 0.0090 . 1 . . . . . . . . 5599 1 1574 . 1 1 181 181 LYS CG C 13 25.91 0.067 . 1 . . . . . . . . 5599 1 1575 . 1 1 181 181 LYS HG2 H 1 1.305 0.013 . 1 . . . . . . . . 5599 1 1576 . 1 1 181 181 LYS HG3 H 1 1.582 0.0080 . 1 . . . . . . . . 5599 1 1577 . 1 1 181 181 LYS HD2 H 1 1.495 0.0 . 1 . . . . . . . . 5599 1 1578 . 1 1 181 181 LYS HE2 H 1 2.977 0.0020 . 1 . . . . . . . . 5599 1 1579 . 1 1 182 182 ILE H H 1 8.034 0.0040 . 1 . . . . . . . . 5599 1 1580 . 1 1 182 182 ILE N N 15 116.555 0.057 . 1 . . . . . . . . 5599 1 1581 . 1 1 182 182 ILE CA C 13 65.879 0.158 . 1 . . . . . . . . 5599 1 1582 . 1 1 182 182 ILE HA H 1 3.438 0.015 . 1 . . . . . . . . 5599 1 1583 . 1 1 182 182 ILE C C 13 176.783 0.0 . 1 . . . . . . . . 5599 1 1584 . 1 1 182 182 ILE CB C 13 37.708 0.322 . 1 . . . . . . . . 5599 1 1585 . 1 1 182 182 ILE HB H 1 1.923 0.02 . 1 . . . . . . . . 5599 1 1586 . 1 1 182 182 ILE CG2 C 13 18.564 0.103 . 1 . . . . . . . . 5599 1 1587 . 1 1 182 182 ILE CG1 C 13 28.655 0.0 . 1 . . . . . . . . 5599 1 1588 . 1 1 182 182 ILE HG12 H 1 1.79 0.0050 . 1 . . . . . . . . 5599 1 1589 . 1 1 182 182 ILE HG13 H 1 0.995 0.0070 . 1 . . . . . . . . 5599 1 1590 . 1 1 182 182 ILE HD11 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1591 . 1 1 182 182 ILE HD12 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1592 . 1 1 182 182 ILE HD13 H 1 0.894 0.0020 . 1 . . . . . . . . 5599 1 1593 . 1 1 183 183 ASP H H 1 7.292 0.0060 . 1 . . . . . . . . 5599 1 1594 . 1 1 183 183 ASP N N 15 119.482 0.03 . 1 . . . . . . . . 5599 1 1595 . 1 1 183 183 ASP CA C 13 58.115 0.085 . 1 . . . . . . . . 5599 1 1596 . 1 1 183 183 ASP HA H 1 4.46 0.0060 . 1 . . . . . . . . 5599 1 1597 . 1 1 183 183 ASP C C 13 177.502 0.0 . 1 . . . . . . . . 5599 1 1598 . 1 1 183 183 ASP CB C 13 42.855 0.126 . 1 . . . . . . . . 5599 1 1599 . 1 1 183 183 ASP HB2 H 1 2.636 0.0090 . 1 . . . . . . . . 5599 1 1600 . 1 1 183 183 ASP HB3 H 1 2.697 0.0070 . 1 . . . . . . . . 5599 1 1601 . 1 1 184 184 ASN H H 1 7.798 0.0060 . 1 . . . . . . . . 5599 1 1602 . 1 1 184 184 ASN N N 15 117.096 0.023 . 1 . . . . . . . . 5599 1 1603 . 1 1 184 184 ASN CA C 13 56.802 0.039 . 1 . . . . . . . . 5599 1 1604 . 1 1 184 184 ASN HA H 1 4.299 0.016 . 1 . . . . . . . . 5599 1 1605 . 1 1 184 184 ASN C C 13 179.012 0.0 . 1 . . . . . . . . 5599 1 1606 . 1 1 184 184 ASN CB C 13 38.703 0.067 . 1 . . . . . . . . 5599 1 1607 . 1 1 184 184 ASN HB2 H 1 2.616 0.014 . 1 . . . . . . . . 5599 1 1608 . 1 1 184 184 ASN HB3 H 1 2.683 0.0060 . 1 . . . . . . . . 5599 1 1609 . 1 1 185 185 TYR H H 1 9.028 0.0030 . 1 . . . . . . . . 5599 1 1610 . 1 1 185 185 TYR N N 15 120.928 0.047 . 1 . . . . . . . . 5599 1 1611 . 1 1 185 185 TYR CA C 13 57.7 0.145 . 1 . . . . . . . . 5599 1 1612 . 1 1 185 185 TYR HA H 1 4.531 0.02 . 1 . . . . . . . . 5599 1 1613 . 1 1 185 185 TYR C C 13 178.393 0.0 . 1 . . . . . . . . 5599 1 1614 . 1 1 185 185 TYR CB C 13 37.754 0.061 . 1 . . . . . . . . 5599 1 1615 . 1 1 185 185 TYR HB2 H 1 3.008 0.0070 . 1 . . . . . . . . 5599 1 1616 . 1 1 185 185 TYR HB3 H 1 3.214 0.019 . 1 . . . . . . . . 5599 1 1617 . 1 1 186 186 LEU H H 1 8.827 0.0040 . 1 . . . . . . . . 5599 1 1618 . 1 1 186 186 LEU N N 15 121.806 0.061 . 1 . . . . . . . . 5599 1 1619 . 1 1 186 186 LEU CA C 13 58.94 0.07 . 1 . . . . . . . . 5599 1 1620 . 1 1 186 186 LEU C C 13 179.122 0.0 . 1 . . . . . . . . 5599 1 1621 . 1 1 186 186 LEU CB C 13 42.332 0.073 . 1 . . . . . . . . 5599 1 1622 . 1 1 187 187 LYS N N 15 119.998 0.078 . 1 . . . . . . . . 5599 1 1623 . 1 1 187 187 LYS CA C 13 61.288 0.058 . 1 . . . . . . . . 5599 1 1624 . 1 1 187 187 LYS C C 13 179.855 0.0 . 1 . . . . . . . . 5599 1 1625 . 1 1 187 187 LYS CB C 13 32.99 0.037 . 1 . . . . . . . . 5599 1 1626 . 1 1 188 188 LEU H H 1 7.674 0.0070 . 1 . . . . . . . . 5599 1 1627 . 1 1 188 188 LEU N N 15 122.2 0.0 . 1 . . . . . . . . 5599 1 1628 . 1 1 188 188 LEU CA C 13 58.466 0.086 . 1 . . . . . . . . 5599 1 1629 . 1 1 188 188 LEU HA H 1 4.078 0.0020 . 1 . . . . . . . . 5599 1 1630 . 1 1 188 188 LEU C C 13 179.689 0.0 . 1 . . . . . . . . 5599 1 1631 . 1 1 188 188 LEU CB C 13 42.499 0.0 . 1 . . . . . . . . 5599 1 1632 . 1 1 188 188 LEU HB2 H 1 1.95 0.0010 . 1 . . . . . . . . 5599 1 1633 . 1 1 188 188 LEU CG C 13 28.375 0.248 . 1 . . . . . . . . 5599 1 1634 . 1 1 188 188 LEU CD1 C 13 23.997 0.068 . 1 . . . . . . . . 5599 1 1635 . 1 1 188 188 LEU HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1636 . 1 1 188 188 LEU HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1637 . 1 1 188 188 LEU HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5599 1 1638 . 1 1 188 188 LEU CD2 C 13 25.86 0.016 . 1 . . . . . . . . 5599 1 1639 . 1 1 188 188 LEU HD21 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1640 . 1 1 188 188 LEU HD22 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1641 . 1 1 188 188 LEU HD23 H 1 0.534 0.0070 . 1 . . . . . . . . 5599 1 1642 . 1 1 188 188 LEU HG H 1 1.924 0.0050 . 1 . . . . . . . . 5599 1 1643 . 1 1 189 189 LEU H H 1 8.612 0.0050 . 1 . . . . . . . . 5599 1 1644 . 1 1 189 189 LEU N N 15 121.909 0.031 . 1 . . . . . . . . 5599 1 1645 . 1 1 189 189 LEU CA C 13 58.486 0.061 . 1 . . . . . . . . 5599 1 1646 . 1 1 189 189 LEU C C 13 178.168 0.0 . 1 . . . . . . . . 5599 1 1647 . 1 1 189 189 LEU CB C 13 42.859 0.0 . 1 . . . . . . . . 5599 1 1648 . 1 1 190 190 LYS H H 1 8.511 0.0060 . 1 . . . . . . . . 5599 1 1649 . 1 1 190 190 LYS N N 15 121.41 0.024 . 1 . . . . . . . . 5599 1 1650 . 1 1 190 190 LYS CA C 13 60.603 0.033 . 1 . . . . . . . . 5599 1 1651 . 1 1 190 190 LYS C C 13 179.536 0.0 . 1 . . . . . . . . 5599 1 1652 . 1 1 190 190 LYS CB C 13 32.991 0.0 . 1 . . . . . . . . 5599 1 stop_ save_